A0A077Z0C1_TRITR Loading...

Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial

Succinyl-CoA synthetase functions in the citric acid cycle (TCA), coupling the hydrolysis of succinyl-CoA to the synthesis of ATP and thus represents the only step of substrate-level phosphorylation in the TCA. The beta subunit provides nucleotide specificity of the enzyme and binds the substrate succinate, while the binding sites for coenzyme A and phosphate are found in the alpha subunit.

AlphaFold DB , UniProt , Accession A0A077Z0C1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 421 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	40.8	Very low	40.1	Very low	249 Å²	249	155.5 Å²	155.5	100%	1.227	79%	0.788	S	S	*	*				0	114.8	0	-63.6	-164.2	-88.8	0	0	107.9
2	S	41.4	Very low	39.5	Very low	63 Å²	63	160 Å²	160	44%	0.441	80%	0.798	S	S	.	*			cis	-136.3	86.3	15.1	65.2	0	0	0	0	110.9	V4 R5	S2-V4 PolarHBondContact O-N 3.34Å; S2-R5 PolarHBondContact O-N 2.73Å
3	V	44	Very low	39.1	Very low	136 Å²	136	165.2 Å²	165.2	82%	0.824	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-65	-15.1	163.3	176.6	0	0	0	0	110.5	R5	V3-R5 PolarHBondContact O-N 2.91Å
4	V	44.8	Very low	38.6	Very low	113 Å²	113	160.7 Å²	160.7	69%	0.685	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-74.7	-14.8	176.4	-177.1	0	0	0	0	114.1	S2	S2-V4 PolarHBondContact O-N 3.34Å
5	R	42.4	Very low	38.3	Very low	198 Å²	198	156.7 Å²	156.7	75%	0.747	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-85.8	-6.8	-176.8	-84.9	-174.9	175.2	-178.5	-1	115.8	S2 V3	S2-R5 PolarHBondContact O-N 2.73Å; V3-R5 PolarHBondContact O-N 2.91Å
6	R	41.2	Very low	38	Very low	234 Å²	234	150.6 Å²	150.6	88%	0.883	79%	0.786	S	S	*	*	S	Bend	trans	-95.8	-12.3	-178.4	-117.8	176.7	-179	-174.6	-0.7	115.1
7	I	43	Very low	37.9	Very low	146 Å²	146	155.3 Å²	155.3	75%	0.749	79%	0.791	S	S	*	*	S	Bend	trans	-90	-19.2	179.9	-66.6	173	0	0	0	112.3	R9	I7-R9 PolarHBondContact O-N 3.28Å
8	L	36	Very low	38.2	Very low	138 Å²	138	155.4 Å²	155.4	72%	0.723	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	3.6	-177.5	-80.6	154.5	0	0	0	115.4
9	R	36.5	Very low	38.3	Very low	227 Å²	227	153.3 Å²	153.3	86%	0.857	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	4	-179.1	-79.5	-173.8	178.2	-171.3	-0.6	115.9	I7	I7-R9 PolarHBondContact O-N 3.28Å
10	C	35.8	Very low	38.4	Very low	120 Å²	120	148.6 Å²	148.6	81%	0.811	77%	0.77	S	S	*	*	S	Bend	trans	-102.1	1.8	170.7	-82	0	0	0	0	114.7	K12	C10-K12 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 2.86Å
11	A	35.4	Very low	39.1	Very low	87 Å²	87	143.5 Å²	143.5	72%	0.719	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	15.2	-179.8	0	0	0	0	0	114.9
12	K	32.9	Very low	40.1	Very low	209 Å²	209	137.5 Å²	137.5	91%	0.909	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	23.4	175	-85.5	-166.2	176	-172.3	0	114.1	C10 A14	C10-K12 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 2.86Å; K12-A14 PolarHBondContact O-N 3.12Å
13	R	33.9	Very low	41.4	Very low	228 Å²	228	138.6 Å²	138.6	86%	0.86	71%	0.709	S	S	*	*			trans	-73.7	106.6	154.5	-83.5	-176.5	175.5	-176.6	-1.8	106.2	S15	R13-S15 PolarHBondContact O-N 2.63Å
14	A	32.7	Very low	43.2	Very low	102 Å²	102	132.1 Å²	132.1	84%	0.843	67%	0.67	S	S	*	*			trans	-53.9	92.5	158.9	0	0	0	0	0	106.6	K12 G16	K12-A14 PolarHBondContact O-N 3.12Å; A14-G16 PolarHBondContact O-N 3.21Å
15	S	34.1	Very low	45	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	65%	0.651	S	S	*	*			trans	-65.2	84.8	158.7	170.9	0	0	0	0	104.2	R13 R17	R13-S15 PolarHBondContact O-N 2.63Å; S15-R17 VanDerWaalsContact C-N 3.26Å; S15-R17 PolarHBondContact O-N 2.64Å
16	G	33.4	Very low	47.3	Very low	59 Å²	59	120.6 Å²	120.6	61%	0.608	62%	0.618	S	S	*	*			trans	-51.7	106.9	156.2	0	0	0	0	0	104.4	A14 L18	A14-G16 PolarHBondContact O-N 3.21Å; G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.41Å
17	R	36.5	Very low	49.8	Very low	231 Å²	231	109.6 Å²	109.6	87%	0.872	58%	0.576	S	S	*	*			trans	-56.7	107.1	172.4	-80.1	-178.4	179.7	-174	-0.8	104.2	S15 T19	S15-R17 VanDerWaalsContact C-N 3.26Å; S15-R17 PolarHBondContact O-N 2.64Å; R17-T19 VanDerWaalsContact C-N 3.34Å; R17-T19 PolarHBondContact O-N 3.48Å
18	L	42.7	Very low	52.2	Low	158 Å²	158	103 Å²	103	83%	0.827	54%	0.542	S	S	*	.			trans	-58.4	106.6	169	-74.3	163.5	0	0	0	104.9	G16 S20	G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.41Å; L18-S20 PolarHBondContact O-N 3.34Å
19	T	39.8	Very low	55	Low	114 Å²	114	97.7 Å²	97.7	70%	0.699	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-64.8	120.7	170.3	-25.1	0	0	0	0	105.6	R17 V21	R17-T19 VanDerWaalsContact C-N 3.34Å; R17-T19 PolarHBondContact O-N 3.48Å; T19-V21 WeakPolarHBondContact O-CG2 3.3Å; T19-V21 PolarHBondContact O-N 2.99Å; T19-V21 VanDerWaalsContact O-N 3.1Å
20	S	41.7	Very low	57.8	Low	60 Å²	60	88 Å²	88	42%	0.42	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-59.5	119.2	174.4	173.9	0	0	0	0	107.8	L18 D250	L18-S20 PolarHBondContact O-N 3.34Å; S20-D250 PolarHBondContact OG-OD1 3.23Å
21	V	53.3	Low	60.7	Low	41 Å²	41	82.4 Å²	82.4	25%	0.248	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-103.3	144	171.9	-166.2	0	0	0	0	106.3	T19 L23 D251	T19-V21 WeakPolarHBondContact O-CG2 3.3Å; T19-V21 PolarHBondContact O-N 2.99Å; T19-V21 VanDerWaalsContact O-N 3.1Å; V21-L23 HydrophobicContact CG1-CB 4.48Å; V21-L23 HydrophobicContact CG1-CD1 3.43Å; V21-L23 VanDerWaalsContact CG1-CD1 3.43Å; V21-L23 HydrophobicContact CG1-CG 3.58Å; V21-D251 VanDerWaalsContact C-CG 3.41Å; V21-D251 HydrophobicContact CB-CB 4.06Å; V21-D251 WeakPolarHBondContact CB-OD2 3.39Å; V21-D251 VanDerWaalsContact CG1-OD2 3.23Å; V21-D251 WeakPolarHBondContact CG1-OD2 3.33Å; V21-D251 WeakPolarHBondContact O-CB 3.46Å; V21-D251 PolarHBondContact O-N 2.67Å
22	R	59.9	Low	63.6	Low	123 Å²	123	78.2 Å²	78.2	46%	0.464	41%	0.406	S	S	.	.			trans	-138.2	64.7	-177.3	-60.4	-179.5	-173	-171.3	-3.9	110	D251	R22-D251 WeakPolarHBondContact CA-OD2 3.47Å; R22-D251 PolarHBondContact N-OD2 2.75Å; R22-D251 VanDerWaalsContact N-OD2 3.1Å
23	L	69.6	Low	66.6	Low	86 Å²	86	70.1 Å²	70.1	45%	0.45	38%	0.377	S	S	.	.			trans	-98.9	-19.5	-174.8	-69.6	168.3	0	0	0	112.5	V21 H25 D251	V21-L23 HydrophobicContact CG1-CB 4.48Å; V21-L23 HydrophobicContact CG1-CD1 3.43Å; V21-L23 VanDerWaalsContact CG1-CD1 3.43Å; V21-L23 HydrophobicContact CG1-CG 3.58Å; L23-H25 PolarHBondContact O-CD2 3.21Å; L23-H25 PolarHBondContact O-N 3.04Å; L23-H25 VanDerWaalsContact O-N 3.1Å; L23-D251 WeakPolarHBondContact CB-OD2 3.44Å; L23-D251 VanDerWaalsContact N-CG 3.3Å; L23-D251 PolarHBondContact N-OD1 3.02Å; L23-D251 PolarHBondContact N-OD2 3.05Å
24	L	81.5	Confident	69.7	Low	1 Å²	1	59.6 Å²	59.6	1%	0.005	34%	0.338	C	S	.	.			trans	-71.3	111.9	-179.1	-172.7	61.5	0	0	0	111.5	L26 F249 D251 I260 F261 R264	L24-L26 HydrophobicContact CD1-CD2 3.84Å; L24-L26 HydrophobicContact CD1-CG 4.39Å; L24-L26 HydrophobicContact CG-CD2 4.29Å; L24-L26 HydrophobicContact CG-CG 4.32Å; L24-F249 HydrophobicContact CB-CD2 4.49Å; L24-F249 HydrophobicContact CD2-CB 4.27Å; L24-F249 HydrophobicContact CD2-CD2 3.75Å; L24-F249 HydrophobicContact CD2-CE2 4.46Å; L24-F249 HydrophobicContact CD2-CG 4.19Å; L24-F249 HydrophobicContact CG-CD2 4.05Å; L24-D251 PolarHBondContact N-OD1 2.99Å; L24-D251 VanDerWaalsContact N-OD1 3.13Å; L24-I260 HydrophobicContact CD2-CG2 3.86Å; L24-F261 HydrophobicContact CB-CD1 4.42Å; L24-F261 HydrophobicContact CB-CE1 3.91Å; L24-F261 HydrophobicContact CB-CZ 4.32Å; L24-F261 HydrophobicContact CD2-CD1 3.88Å; L24-F261 HydrophobicContact CD2-CD2 4.03Å; L24-F261 HydrophobicContact CD2-CE1 3.86Å; L24-F261 HydrophobicContact CD2-CE2 4.01Å; L24-F261 HydrophobicContact CD2-CG 3.95Å; L24-F261 HydrophobicContact CD2-CZ 3.91Å; L24-F261 HydrophobicContact CG-CE1 4.44Å; L24-R264 HydrophobicContact CD1-CB 3.68Å; L24-R264 HydrophobicContact CD1-CG 4.05Å
25	H	82.9	Confident	72.8	Confident	58 Å²	58	54.8 Å²	54.8	27%	0.269	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-117.7	129.3	167.4	-72.6	-84.8	0	0	0	108.8	L23 L74 R248	L23-H25 PolarHBondContact O-CD2 3.21Å; L23-H25 PolarHBondContact O-N 3.04Å; L23-H25 VanDerWaalsContact O-N 3.1Å; H25-L74 HydrophobicContact CB-CB 4.36Å; H25-L74 HydrophobicContact CB-CD1 3.95Å; H25-L74 HydrophobicContact CB-CD2 4.07Å; H25-L74 HydrophobicContact CB-CG 4.34Å; H25-R248 PolarHBondContact CE1-NH1 3.08Å
26	L	91.2	Very high	75.7	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.285	C	S	.	.			trans	-111.9	151.6	175.3	-62.3	-177.1	0	0	0	109.8	L24 Q30 N31 L34 F249 I260 L263	L24-L26 HydrophobicContact CD1-CD2 3.84Å; L24-L26 HydrophobicContact CD1-CG 4.39Å; L24-L26 HydrophobicContact CG-CD2 4.29Å; L24-L26 HydrophobicContact CG-CG 4.32Å; L26-Q30 HydrophobicContact CB-CB 4Å; L26-Q30 HydrophobicContact CD1-CB 4.37Å; L26-N31 WeakPolarHBondContact CB-OD1 3.04Å; L26-N31 PolarHBondContact O-ND2 2.71Å; L26-L34 HydrophobicContact CD1-CD1 3.66Å; L26-F249 HydrophobicContact CD1-CE2 3.66Å; L26-F249 HydrophobicContact CD1-CZ 4.07Å; L26-F249 HydrophobicContact CG-CE2 4.04Å; L26-I260 HydrophobicContact CD1-CG2 4.05Å; L26-L263 HydrophobicContact CD1-CB 4.26Å; L26-L263 HydrophobicContact CD1-CD1 3.99Å; L26-L263 HydrophobicContact CD2-CB 3.63Å
27	H	92.9	Very high	78.8	Confident	3 Å²	3	59 Å²	59	1%	0.014	29%	0.289	C	S	.	.			trans	-68.9	159.4	174.5	-67.4	-81.9	0	0	0	111.7	H29 Q30 N31 Q72 K126 D268	H27-H29 VanDerWaalsContact C-N 3.32Å; H27-H29 VanDerWaalsContact CB-CE1 3.47Å; H27-H29 WeakPolarHBondContact CB-CE1 3.42Å; H27-H29 WeakPolarHBondContact CB-ND1 3.27Å; H27-H29 PolarHBondContact O-N 3.44Å; H27-Q30 PolarHBondContact CD2-OE1 2.92Å; H27-Q30 WeakPolarHBondContact O-CB 3.42Å; H27-Q30 PolarHBondContact O-N 3.32Å; H27-N31 PolarHBondContact O-N 3.49Å; H27-Q72 PolarHBondContact CE1-O 2.8Å; H27-Q72 PolarHBondContact ND1-O 2.87Å; H27-K126 VanDerWaalsContact CD2-CE 3.43Å; H27-K126 WeakPolarHBondContact CD2-CE 3.45Å; H27-K126 PolarHBondContact CD2-NZ 3.42Å; H27-K126 WeakPolarHBondContact NE2-CE 3.27Å; H27-K126 PolarHBondContact NE2-NZ 2.71Å; H27-D268 IonicContact CD2-OD2 2.58Å; H27-D268 IonicContact CE1-OD2 3.56Å; H27-D268 IonicContact NE2-OD1 3.91Å; H27-D268 IonicContact NE2-OD2 2.94Å; H27-D268 PolarHBondContact NE2-OD2 3.09Å
28	E	93.9	Very high	81.7	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-50.1	-47	178.9	-176.1	-175.7	168.6	0	0	113.2	Q30 N31 K32 K70 R78 M128 D244	E28-Q30 VanDerWaalsContact C-N 3.28Å; E28-Q30 PolarHBondContact O-N 3.12Å; E28-N31 WeakPolarHBondContact O-CB 3.49Å; E28-N31 PolarHBondContact O-N 3.22Å; E28-K32 HydrophobicContact CG-CD 4.3Å; E28-K32 WeakPolarHBondContact O-CG 3.22Å; E28-K32 PolarHBondContact O-N 3.24Å; E28-K32 IonicContact OE1-NZ 2.76Å; E28-K32 PolarHBondContact OE1-NZ 3.17Å; E28-K70 IonicContact OE1-NZ 3.13Å; E28-K70 PolarHBondContact OE1-NZ 3.1Å; E28-R78 IonicContact OE2-CZ 2.81Å; E28-R78 VanDerWaalsContact OE2-CZ 3.26Å; E28-R78 IonicContact OE2-NH1 2.69Å; E28-R78 PolarHBondContact OE2-NH1 3.34Å; E28-R78 IonicContact OE2-NH2 2.72Å; E28-R78 PolarHBondContact OE2-NH2 2.98Å; E28-M128 HydrophobicContact CG-CE 4.44Å; E28-M128 HydrophobicContact CG-SD 4.34Å; E28-M128 WeakPolarHBondContact OE1-CE 3.04Å; E28-D244 VanDerWaalsContact CD-OD1 3.26Å; E28-D244 WeakPolarHBondContact CG-OD1 3.17Å
29	H	94.6	Very high	84.3	Confident	26 Å²	26	43.2 Å²	43.2	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-29.7	178.9	72.5	-76.2	0	0	0	113.6	H27 A33 Y45 V47 Q72 K126 M128	H27-H29 VanDerWaalsContact C-N 3.32Å; H27-H29 VanDerWaalsContact CB-CE1 3.47Å; H27-H29 WeakPolarHBondContact CB-CE1 3.42Å; H27-H29 WeakPolarHBondContact CB-ND1 3.27Å; H27-H29 PolarHBondContact O-N 3.44Å; H29-A33 WeakPolarHBondContact O-CB 3.44Å; H29-A33 PolarHBondContact O-N 3.36Å; H29-A33 VanDerWaalsContact O-N 3.12Å; H29-Y45 HydrophobicContact CB-CD2 4.19Å; H29-Y45 HydrophobicContact CB-CE2 3.65Å; H29-Y45 PolarHBondContact O-OH 3.42Å; H29-V47 HydrophobicContact CB-CG2 3.68Å; H29-Q72 PolarHBondContact ND1-OE1 3.05Å; H29-K126 PolarHBondContact CE1-NZ 3.48Å; H29-M128 HydrophobicContact CB-CG 4.34Å; H29-M128 HydrophobicContact CB-SD 3.97Å
30	Q	95.7	Very high	87.1	Confident	23 Å²	23	38 Å²	38	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-74.8	-42.9	176	-70.4	167.6	-53	0	0	110	L26 H27 E28 K32 A33 L34 L263	L26-Q30 HydrophobicContact CB-CB 4Å; L26-Q30 HydrophobicContact CD1-CB 4.37Å; H27-Q30 PolarHBondContact CD2-OE1 2.92Å; H27-Q30 WeakPolarHBondContact O-CB 3.42Å; H27-Q30 PolarHBondContact O-N 3.32Å; E28-Q30 VanDerWaalsContact C-N 3.28Å; E28-Q30 PolarHBondContact O-N 3.12Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.37Å; Q30-A33 PolarHBondContact O-N 3.02Å; Q30-L34 WeakPolarHBondContact O-CG 3.34Å; Q30-L34 PolarHBondContact O-N 3.45Å; Q30-L263 PolarHBondContact NE2-O 3.4Å
31	N	96.5	Very high	89.7	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-46.3	174.3	-67.6	-22.3	0	0	0	111.4	L26 H27 E28 L34 L35 A245 L247	L26-N31 WeakPolarHBondContact CB-OD1 3.04Å; L26-N31 PolarHBondContact O-ND2 2.71Å; H27-N31 PolarHBondContact O-N 3.49Å; E28-N31 WeakPolarHBondContact O-CB 3.49Å; E28-N31 PolarHBondContact O-N 3.22Å; N31-L34 WeakPolarHBondContact O-CB 3.4Å; N31-L34 PolarHBondContact O-N 3.2Å; N31-L35 WeakPolarHBondContact O-CG 3.49Å; N31-L35 PolarHBondContact O-N 3.49Å; N31-A245 HydrophobicContact CB-CB 4.19Å; N31-A245 WeakPolarHBondContact CB-O 3.39Å; N31-A245 PolarHBondContact ND2-O 3.39Å; N31-L247 HydrophobicContact CB-CD1 3.96Å; N31-L247 HydrophobicContact CB-CD2 4.26Å; N31-L247 HydrophobicContact CB-CG 4.46Å; N31-L247 PolarHBondContact ND2-N 3.22Å
32	K	96.7	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-45.9	176.1	-76.8	178.7	168.2	160.4	0	112.5	E28 Q30 L34 L35 Q36 V42 E43 Y45 M128 V243 A245	E28-K32 HydrophobicContact CG-CD 4.3Å; E28-K32 WeakPolarHBondContact O-CG 3.22Å; E28-K32 PolarHBondContact O-N 3.24Å; E28-K32 IonicContact OE1-NZ 2.76Å; E28-K32 PolarHBondContact OE1-NZ 3.17Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 3.37Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.44Å; K32-L35 PolarHBondContact O-N 3.24Å; K32-Q36 WeakPolarHBondContact O-CG 3.49Å; K32-Q36 PolarHBondContact O-N 2.85Å; K32-V42 HydrophobicContact CB-CB 4.44Å; K32-V42 HydrophobicContact CB-CG1 4.32Å; K32-V42 HydrophobicContact CB-CG2 4.27Å; K32-V42 HydrophobicContact CD-CB 4.43Å; K32-V42 HydrophobicContact CG-CB 4.22Å; K32-V42 HydrophobicContact CG-CG1 4.16Å; K32-E43 VanDerWaalsContact NZ-CD 3.29Å; K32-E43 IonicContact NZ-OE1 3.81Å; K32-E43 PolarHBondContact NZ-OE1 3.24Å; K32-Y45 HydrophobicContact CB-CE1 3.68Å; K32-Y45 HydrophobicContact CD-CD1 4Å; K32-Y45 HydrophobicContact CD-CE1 3.91Å; K32-Y45 HydrophobicContact CG-CE1 4.43Å; K32-M128 HydrophobicContact CD-SD 4.39Å; K32-V243 VanDerWaalsContact CE-O 3.29Å; K32-V243 WeakPolarHBondContact CE-O 3.33Å; K32-V243 PolarHBondContact NZ-O 3.17Å; K32-A245 HydrophobicContact CG-CB 4.37Å
33	A	96.5	Very high	93.3	Very high	38 Å²	38	31.1 Å²	31.1	31%	0.314	16%	0.164	S	C	.	.	H	α-helix	trans	-60.7	-36.9	176.6	0	0	0	0	0	112.4	H29 Q30 Y45	H29-A33 WeakPolarHBondContact O-CB 3.44Å; H29-A33 PolarHBondContact O-N 3.36Å; H29-A33 VanDerWaalsContact O-N 3.12Å; Q30-A33 PolarHBondContact O-N 3.02Å; A33-Y45 PolarHBondContact N-OH 3.33Å
34	L	97	Very high	94.5	Very high	8 Å²	8	33 Å²	33	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-49.7	174	-70.2	172.6	0	0	0	111.3	L26 Q30 N31 K32 Q36 K37 F38 M222 F249 I260 L263	L26-L34 HydrophobicContact CD1-CD1 3.66Å; Q30-L34 WeakPolarHBondContact O-CG 3.34Å; Q30-L34 PolarHBondContact O-N 3.45Å; N31-L34 WeakPolarHBondContact O-CB 3.4Å; N31-L34 PolarHBondContact O-N 3.2Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.44Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.35Å; L34-K37 WeakPolarHBondContact O-CB 3.47Å; L34-K37 PolarHBondContact O-N 3.13Å; L34-K37 VanDerWaalsContact O-N 3.1Å; L34-F38 VanDerWaalsContact O-CD2 3.32Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-M222 HydrophobicContact CB-SD 3.94Å; L34-M222 HydrophobicContact CD1-SD 4.32Å; L34-M222 HydrophobicContact CG-SD 4.49Å; L34-F249 HydrophobicContact CD1-CE1 4.41Å; L34-F249 HydrophobicContact CD1-CZ 3.75Å; L34-I260 HydrophobicContact CD1-CG2 4.22Å; L34-I260 HydrophobicContact CD2-CG1 4.28Å; L34-L263 HydrophobicContact CD1-CD1 4.31Å; L34-L263 HydrophobicContact CD2-CD1 4.31Å; L34-L263 HydrophobicContact CG-CD1 4.41Å
35	L	97.8	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-38	179.3	-70.4	-177.7	0	0	0	112.9	N31 K32 K37 F38 G39 V40 V42 L215 A218 M222 I227 I229 A245 L247	N31-L35 WeakPolarHBondContact O-CG 3.49Å; N31-L35 PolarHBondContact O-N 3.49Å; K32-L35 PolarHBondContact O-N 3.24Å; L35-K37 VanDerWaalsContact C-N 3.25Å; L35-K37 PolarHBondContact O-N 2.96Å; L35-F38 WeakPolarHBondContact O-CA 3.43Å; L35-F38 WeakPolarHBondContact O-CB 3.48Å; L35-F38 PolarHBondContact O-N 2.9Å; L35-G39 PolarHBondContact O-N 3.5Å; L35-V40 HydrophobicContact CB-CB 3.97Å; L35-V40 HydrophobicContact CB-CG1 4.28Å; L35-V40 HydrophobicContact CB-CG2 4.33Å; L35-V40 HydrophobicContact CD2-CG2 4.45Å; L35-V40 WeakPolarHBondContact O-CB 3.49Å; L35-V40 PolarHBondContact O-N 3.03Å; L35-V42 HydrophobicContact CB-CG1 4.45Å; L35-L215 HydrophobicContact CD1-CD2 4.37Å; L35-L215 HydrophobicContact CD2-CD2 4.07Å; L35-A218 HydrophobicContact CD2-CB 4.09Å; L35-M222 HydrophobicContact CD2-CE 4.44Å; L35-I227 HydrophobicContact CD2-CD1 4.28Å; L35-I229 HydrophobicContact CD1-CD1 3.8Å; L35-A245 HydrophobicContact CD1-CB 3.69Å; L35-L247 HydrophobicContact CD1-CD1 4.17Å; L35-L247 HydrophobicContact CD2-CD1 4.5Å; L35-L247 HydrophobicContact CD2-CD2 4.15Å; L35-L247 HydrophobicContact CG-CD1 4.4Å; L35-L247 HydrophobicContact CG-CD2 4.25Å
36	Q	97	Very high	95.9	Very high	90 Å²	90	32.7 Å²	32.7	42%	0.421	16%	0.162	S	C	.	.	H	α-helix	trans	-57.8	-35.6	175	-79.6	177.1	-36.2	0	0	112.8	K32 L34 F38 G39 V42	K32-Q36 WeakPolarHBondContact O-CG 3.49Å; K32-Q36 PolarHBondContact O-N 2.85Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.35Å; Q36-F38 PolarHBondContact O-N 3.37Å; Q36-G39 PolarHBondContact O-N 3.04Å; Q36-V42 HydrophobicContact CG-CB 4.46Å; Q36-V42 HydrophobicContact CG-CG1 4.31Å; Q36-V42 HydrophobicContact CG-CG2 3.33Å
37	K	97	Very high	96.2	Very high	157 Å²	157	33.6 Å²	33.6	68%	0.683	17%	0.168	S	C	*	.	H	α-helix	trans	-62.5	-25.5	176.2	-64.1	175.5	-177.7	-179.6	0	112.4	L34 L35 G39	L34-K37 WeakPolarHBondContact O-CB 3.47Å; L34-K37 PolarHBondContact O-N 3.13Å; L34-K37 VanDerWaalsContact O-N 3.1Å; L35-K37 VanDerWaalsContact C-N 3.25Å; L35-K37 PolarHBondContact O-N 2.96Å; K37-G39 VanDerWaalsContact C-N 3.31Å
38	F	97.6	Very high	96.4	Very high	27 Å²	27	33.5 Å²	33.5	12%	0.118	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4.8	175	-67.2	-86.3	0	0	0	113.2	L34 L35 Q36 V40 R217 A218 E221 M222	L34-F38 VanDerWaalsContact O-CD2 3.32Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L35-F38 WeakPolarHBondContact O-CA 3.43Å; L35-F38 WeakPolarHBondContact O-CB 3.48Å; L35-F38 PolarHBondContact O-N 2.9Å; Q36-F38 PolarHBondContact O-N 3.37Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 HydrophobicContact CB-CG2 4.4Å; F38-R217 HydrophobicContact CD1-CG 4.19Å; F38-R217 HydrophobicContact CE1-CG 4.47Å; F38-R217 PolarHBondContact O-NH2 3.05Å; F38-A218 HydrophobicContact CB-CB 3.95Å; F38-A218 HydrophobicContact CD1-CB 3.93Å; F38-A218 HydrophobicContact CD2-CB 3.59Å; F38-A218 HydrophobicContact CE1-CB 4.35Å; F38-A218 HydrophobicContact CE2-CB 4.07Å; F38-A218 HydrophobicContact CG-CB 3.52Å; F38-A218 HydrophobicContact CZ-CB 4.42Å; F38-E221 HydrophobicContact CE1-CB 3.72Å; F38-E221 HydrophobicContact CE1-CG 4.3Å; F38-E221 WeakPolarHBondContact CE1-OE2 3.23Å; F38-E221 HydrophobicContact CZ-CB 3.97Å; F38-M222 HydrophobicContact CD2-SD 4.4Å; F38-M222 HydrophobicContact CE2-CE 4.26Å; F38-M222 HydrophobicContact CE2-CG 3.62Å; F38-M222 HydrophobicContact CE2-SD 3.6Å; F38-M222 VanDerWaalsContact CE2-SD 3.6Å; F38-M222 HydrophobicContact CZ-CG 3.68Å; F38-M222 HydrophobicContact CZ-SD 4.29Å
39	G	97.3	Very high	96.5	Very high	32 Å²	32	40.4 Å²	40.4	33%	0.33	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	14.4	-177.4	0	0	0	0	0	113.8	L35 Q36 K37 R214	L35-G39 PolarHBondContact O-N 3.5Å; Q36-G39 PolarHBondContact O-N 3.04Å; K37-G39 VanDerWaalsContact C-N 3.31Å; G39-R214 VanDerWaalsContact O-CD 3.27Å; G39-R214 WeakPolarHBondContact O-CD 3.38Å; G39-R214 PolarHBondContact O-NH1 3.13Å
40	V	97.9	Very high	96.4	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	20%	0.197	C	C	.	.			trans	-71.2	132.2	175.9	177.5	0	0	0	0	109.2	L35 F38 V42 R214 L215 C242	L35-V40 HydrophobicContact CB-CB 3.97Å; L35-V40 HydrophobicContact CB-CG1 4.28Å; L35-V40 HydrophobicContact CB-CG2 4.33Å; L35-V40 HydrophobicContact CD2-CG2 4.45Å; L35-V40 WeakPolarHBondContact O-CB 3.49Å; L35-V40 PolarHBondContact O-N 3.03Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 HydrophobicContact CB-CG2 4.4Å; V40-V42 PolarHBondContact O-N 3.2Å; V40-R214 HydrophobicContact CG2-CB 3.86Å; V40-L215 HydrophobicContact CG1-CD2 3.96Å; V40-L215 HydrophobicContact CG1-CG 4.36Å; V40-L215 HydrophobicContact CG2-CD2 3.99Å; V40-L215 HydrophobicContact CG2-CG 4.14Å; V40-C242 WeakPolarHBondContact CG1-SG 3.22Å
41	N	96.8	Very high	96.3	Very high	53 Å²	53	40.7 Å²	40.7	28%	0.283	20%	0.201	S	C	.	.			trans	-71.7	119.7	178.6	-65.9	-1.2	0	0	0	109.3	Q211 V240 C241 C242	N41-Q211 PolarHBondContact ND2-NE2 2.95Å; N41-Q211 PolarHBondContact OD1-NE2 2.85Å; N41-Q211 VanDerWaalsContact OD1-NE2 3.12Å; N41-V240 WeakPolarHBondContact CB-O 3.38Å; N41-V240 PolarHBondContact ND2-O 2.88Å; N41-C241 HydrophobicContact CB-CB 4.21Å; N41-C241 WeakPolarHBondContact O-CA 3.23Å; N41-C242 PolarHBondContact O-N 3.43Å
42	V	95.8	Very high	96.2	Very high	20 Å²	20	47.7 Å²	47.7	12%	0.121	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-126.3	151.6	172.2	-50.9	0	0	0	0	108.8	K32 L35 Q36 V40 Y45 C242	K32-V42 HydrophobicContact CB-CB 4.44Å; K32-V42 HydrophobicContact CB-CG1 4.32Å; K32-V42 HydrophobicContact CB-CG2 4.27Å; K32-V42 HydrophobicContact CD-CB 4.43Å; K32-V42 HydrophobicContact CG-CB 4.22Å; K32-V42 HydrophobicContact CG-CG1 4.16Å; L35-V42 HydrophobicContact CB-CG1 4.45Å; Q36-V42 HydrophobicContact CG-CB 4.46Å; Q36-V42 HydrophobicContact CG-CG1 4.31Å; Q36-V42 HydrophobicContact CG-CG2 3.33Å; V40-V42 PolarHBondContact O-N 3.2Å; V42-Y45 HydrophobicContact CG2-CE1 4.47Å; V42-C242 HydrophobicContact CG1-CB 4.22Å
43	E	93.6	Very high	96.1	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.028	25%	0.249	C	C	.	.			trans	-56.3	147.6	171.3	65.2	-158.1	-162.2	0	0	112	K32 Y45 K70 S130 E131 V133 V243	K32-E43 VanDerWaalsContact NZ-CD 3.29Å; K32-E43 IonicContact NZ-OE1 3.81Å; K32-E43 PolarHBondContact NZ-OE1 3.24Å; E43-Y45 WeakPolarHBondContact O-CD1 3.44Å; E43-K70 IonicContact OE1-NZ 3.9Å; E43-K70 PolarHBondContact OE1-NZ 2.94Å; E43-S130 WeakPolarHBondContact OE1-CB 3.49Å; E43-S130 PolarHBondContact OE1-OG 3.38Å; E43-E131 HydrophobicContact CB-CG 4.29Å; E43-V133 HydrophobicContact CB-CG2 4.05Å; E43-V243 WeakPolarHBondContact OE2-CA 3.48Å; E43-V243 WeakPolarHBondContact OE2-CB 3.39Å; E43-V243 VanDerWaalsContact OE2-CG1 3.28Å; E43-V243 WeakPolarHBondContact OE2-CG1 3.37Å; E43-V243 WeakPolarHBondContact OE2-CG2 3.25Å
44	R	94.4	Very high	96	Very high	126 Å²	126	49.3 Å²	49.3	48%	0.475	23%	0.234	S	C	.	.			trans	-68.8	140.6	171.8	-65.7	177	-74	-175.5	-8.7	110	L61 P62 S130 E131	R44-L61 HydrophobicContact CB-CD2 3.67Å; R44-P62 VanDerWaalsContact CZ-CD 3.5Å; R44-S130 CarbonylContact O-C 3.51Å; R44-S130 VanDerWaalsContact O-CA 3.24Å; R44-S130 WeakPolarHBondContact O-CA 3.4Å; R44-S130 WeakPolarHBondContact O-CB 3.41Å; R44-E131 HydrophobicContact CB-CG 4.39Å; R44-E131 WeakPolarHBondContact CB-OE1 3.5Å; R44-E131 VanDerWaalsContact CG-OE1 3.3Å; R44-E131 WeakPolarHBondContact CG-OE1 3.34Å; R44-E131 IonicContact CZ-OE2 3.35Å; R44-E131 PolarHBondContact N-OE1 2.9Å; R44-E131 IonicContact NE-OE1 2.99Å; R44-E131 PolarHBondContact NE-OE1 3.46Å; R44-E131 VanDerWaalsContact NE-OE1 3.1Å; R44-E131 IonicContact NE-OE2 3.84Å; R44-E131 PolarHBondContact NE-OE2 2.88Å; R44-E131 VanDerWaalsContact NE-OE2 3.13Å; R44-E131 IonicContact NH2-OE2 3.82Å; R44-E131 PolarHBondContact NH2-OE2 3.01Å; R44-E131 PolarHBondContact O-N 3.42Å
45	Y	96.3	Very high	95.9	Very high	45 Å²	45	53.8 Å²	53.8	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.8	179.3	65.2	-89.5	0	0	0	112.2	H29 K32 A33 V42 E43 V47 M128 I129	H29-Y45 HydrophobicContact CB-CD2 4.19Å; H29-Y45 HydrophobicContact CB-CE2 3.65Å; H29-Y45 PolarHBondContact O-OH 3.42Å; K32-Y45 HydrophobicContact CB-CE1 3.68Å; K32-Y45 HydrophobicContact CD-CD1 4Å; K32-Y45 HydrophobicContact CD-CE1 3.91Å; K32-Y45 HydrophobicContact CG-CE1 4.43Å; A33-Y45 PolarHBondContact N-OH 3.33Å; V42-Y45 HydrophobicContact CG2-CE1 4.47Å; E43-Y45 WeakPolarHBondContact O-CD1 3.44Å; Y45-V47 HydrophobicContact CD2-CG2 4.11Å; Y45-V47 HydrophobicContact CE2-CG2 4.19Å; Y45-M128 HydrophobicContact CD2-CG 3.79Å; Y45-M128 HydrophobicContact CD2-SD 4.03Å; Y45-M128 HydrophobicContact CG-CG 3.98Å; Y45-M128 HydrophobicContact CG-SD 3.95Å; Y45-I129 CarbonylContact C-O 3.52Å; Y45-I129 WeakPolarHBondContact CA-O 3.2Å; Y45-I129 WeakPolarHBondContact CB-O 3.34Å
46	V	97.1	Very high	95.7	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.9	167.6	-64	0	0	0	0	109.7	E57 L58 Q60 L61 M128 I129	V46-E57 HydrophobicContact CB-CB 4.05Å; V46-E57 HydrophobicContact CG1-CB 4.33Å; V46-E57 WeakPolarHBondContact CG1-O 3.49Å; V46-E57 HydrophobicContact CG2-CB 3.89Å; V46-L58 HydrophobicContact CG2-CD2 4.3Å; V46-Q60 HydrophobicContact CG1-CB 4.11Å; V46-L61 HydrophobicContact CG1-CD2 4.42Å; V46-L61 HydrophobicContact CG1-CG 4.24Å; V46-L61 HydrophobicContact CG2-CD1 4.1Å; V46-M128 CarbonylContact O-C 3.57Å; V46-M128 WeakPolarHBondContact O-CA 3.35Å; V46-I129 HydrophobicContact CG2-CB 4.1Å; V46-I129 PolarHBondContact N-O 2.97Å; V46-I129 PolarHBondContact O-N 3.48Å
47	V	97.2	Very high	95.7	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.5	178.2	180	0	0	0	0	109.5	H29 Y45 K126 V127 M128	H29-V47 HydrophobicContact CB-CG2 3.68Å; Y45-V47 HydrophobicContact CD2-CG2 4.11Å; Y45-V47 HydrophobicContact CE2-CG2 4.19Å; V47-K126 HydrophobicContact CG1-CB 4.17Å; V47-K126 HydrophobicContact CG1-CD 4.24Å; V47-K126 HydrophobicContact CG1-CG 4.35Å; V47-V127 WeakPolarHBondContact CA-O 3.29Å; V47-M128 HydrophobicContact CG2-CB 4.47Å; V47-M128 HydrophobicContact CG2-CG 4.34Å
48	V	97.1	Very high	95.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.4	-178	-65	0	0	0	0	110.9	Q53 V54 E57 T104 K126 V127 I129	V48-Q53 HydrophobicContact CB-CB 4.28Å; V48-Q53 HydrophobicContact CG1-CB 4.05Å; V48-V54 HydrophobicContact CB-CG2 4.35Å; V48-V54 HydrophobicContact CG1-CG2 4.17Å; V48-V54 HydrophobicContact CG2-CG2 4.06Å; V48-E57 HydrophobicContact CG1-CB 4.05Å; V48-E57 HydrophobicContact CG1-CG 3.95Å; V48-T104 HydrophobicContact CG2-CG2 3.79Å; V48-K126 VanDerWaalsContact O-CA 3.27Å; V48-K126 WeakPolarHBondContact O-CA 3.28Å; V48-K126 WeakPolarHBondContact O-CB 3.36Å; V48-V127 HydrophobicContact CG2-CB 4.01Å; V48-V127 HydrophobicContact CG2-CG1 4.46Å; V48-V127 PolarHBondContact N-O 3.27Å; V48-V127 PolarHBondContact O-N 2.9Å; V48-I129 HydrophobicContact CG1-CD1 4.39Å; V48-I129 HydrophobicContact CG2-CD1 3.96Å; V48-I129 HydrophobicContact CG2-CG1 4.33Å
49	R	96	Very high	95.4	Very high	153 Å²	153	54.1 Å²	54.1	58%	0.577	27%	0.269	S	S	*	.	S	Bend	trans	-115.6	-4.1	175.9	-69.4	179.5	178.5	76.9	-4	112.9	I108 K126	R49-I108 VanDerWaalsContact C-CD1 3.43Å; R49-K126 HydrophobicContact CG-CB 4.09Å
50	S	94.3	Very high	95.2	Very high	28 Å²	28	58.6 Å²	58.6	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	-150.6	155.5	170.6	75.9	0	0	0	0	111.1	Q52 Q53	S50-Q52 VanDerWaalsContact CB-OE1 3.3Å; S50-Q52 PolarHBondContact O-N 3.47Å; S50-Q52 PolarHBondContact OG-OE1 2.99Å; S50-Q53 PolarHBondContact O-N 3.31Å
51	P	92.8	Very high	95	Very high	28 Å²	28	58.9 Å²	58.9	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-31.4	175.2	-25.3	36.2	0	0	0	113	Q53 V54 T104 E105	P51-Q53 VanDerWaalsContact C-N 3.25Å; P51-Q53 PolarHBondContact O-N 2.91Å; P51-V54 WeakPolarHBondContact O-CB 3.33Å; P51-V54 WeakPolarHBondContact O-CG2 3.38Å; P51-V54 PolarHBondContact O-N 2.78Å; P51-T104 HydrophobicContact CG-CG2 4.37Å; P51-E105 HydrophobicContact CB-CB 4.16Å; P51-E105 VanDerWaalsContact CG-CA 3.49Å; P51-E105 HydrophobicContact CG-CB 3.67Å; P51-E105 HydrophobicContact CG-CG 4.19Å
52	Q	94	Very high	94.6	Very high	149 Å²	149	57.9 Å²	57.9	70%	0.696	28%	0.279	S	S	*	.	H	α-helix	trans	-67	-25.6	-179	-63.1	74.6	23.5	0	0	112.8	S50 V54	S50-Q52 VanDerWaalsContact CB-OE1 3.3Å; S50-Q52 PolarHBondContact O-N 3.47Å; S50-Q52 PolarHBondContact OG-OE1 2.99Å; Q52-V54 VanDerWaalsContact C-N 3.32Å
53	Q	95.1	Very high	94.1	Very high	71 Å²	71	63.9 Å²	63.9	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-75.9	-21.7	177	-69.4	171.8	-8.4	0	0	112.5	V48 S50 P51 L55 S56 E57	V48-Q53 HydrophobicContact CB-CB 4.28Å; V48-Q53 HydrophobicContact CG1-CB 4.05Å; S50-Q53 PolarHBondContact O-N 3.31Å; P51-Q53 VanDerWaalsContact C-N 3.25Å; P51-Q53 PolarHBondContact O-N 2.91Å; Q53-L55 PolarHBondContact O-N 2.87Å; Q53-S56 PolarHBondContact O-N 3.18Å; Q53-S56 PolarHBondContact O-OG 2.98Å; Q53-E57 HydrophobicContact CB-CG 4.26Å; Q53-E57 WeakPolarHBondContact O-CB 3.45Å; Q53-E57 VanDerWaalsContact O-CG 3.22Å; Q53-E57 WeakPolarHBondContact O-CG 3.39Å; Q53-E57 PolarHBondContact O-N 3.46Å
54	V	94.7	Very high	93.5	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-51	-168.8	175.2	0	0	0	0	111.9	V48 P51 Q52 S56 E57 L58 A100 A101 T104 I129	V48-V54 HydrophobicContact CB-CG2 4.35Å; V48-V54 HydrophobicContact CG1-CG2 4.17Å; V48-V54 HydrophobicContact CG2-CG2 4.06Å; P51-V54 WeakPolarHBondContact O-CB 3.33Å; P51-V54 WeakPolarHBondContact O-CG2 3.38Å; P51-V54 PolarHBondContact O-N 2.78Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; V54-S56 VanDerWaalsContact C-N 3.35Å; V54-S56 PolarHBondContact O-N 3.45Å; V54-E57 PolarHBondContact O-N 2.87Å; V54-L58 HydrophobicContact CG1-CD1 3.58Å; V54-L58 HydrophobicContact CG1-CG 3.98Å; V54-L58 WeakPolarHBondContact O-CB 3.43Å; V54-L58 WeakPolarHBondContact O-CG 3.45Å; V54-L58 PolarHBondContact O-N 3.44Å; V54-A100 HydrophobicContact CG1-CB 4.09Å; V54-A101 HydrophobicContact CB-CB 4.08Å; V54-A101 HydrophobicContact CG1-CB 4.05Å; V54-A101 HydrophobicContact CG2-CB 4.45Å; V54-T104 HydrophobicContact CG2-CG2 3.86Å; V54-I129 HydrophobicContact CB-CD1 4.38Å; V54-I129 HydrophobicContact CG1-CD1 3.74Å; V54-I129 HydrophobicContact CG2-CD1 3.93Å
55	L	94	Very high	93	Very high	102 Å²	102	69.8 Å²	69.8	53%	0.534	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-42.5	-174.3	-63.9	-179.6	0	0	0	112.7	Q53 P97	Q53-L55 PolarHBondContact O-N 2.87Å; L55-P97 HydrophobicContact CD2-CB 3.56Å
56	S	94.9	Very high	92.9	Very high	65 Å²	65	67.8 Å²	67.8	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-71.4	-39	178.5	51.8	0	0	0	0	112.5	Q53 V54 E59	Q53-S56 PolarHBondContact O-N 3.18Å; Q53-S56 PolarHBondContact O-OG 2.98Å; V54-S56 VanDerWaalsContact C-N 3.35Å; V54-S56 PolarHBondContact O-N 3.45Å; S56-E59 PolarHBondContact O-N 2.96Å
57	E	96	Very high	92.8	Very high	61 Å²	61	67.6 Å²	67.6	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-70.9	-35.5	-179.4	-67	-66.7	157.3	0	0	111.4	V46 V48 Q53 V54 E59 Q60	V46-E57 HydrophobicContact CB-CB 4.05Å; V46-E57 HydrophobicContact CG1-CB 4.33Å; V46-E57 WeakPolarHBondContact CG1-O 3.49Å; V46-E57 HydrophobicContact CG2-CB 3.89Å; V48-E57 HydrophobicContact CG1-CB 4.05Å; V48-E57 HydrophobicContact CG1-CG 3.95Å; Q53-E57 HydrophobicContact CB-CG 4.26Å; Q53-E57 WeakPolarHBondContact O-CB 3.45Å; Q53-E57 VanDerWaalsContact O-CG 3.22Å; Q53-E57 WeakPolarHBondContact O-CG 3.39Å; Q53-E57 PolarHBondContact O-N 3.46Å; V54-E57 PolarHBondContact O-N 2.87Å; E57-E59 PolarHBondContact O-N 3.26Å; E57-E59 VanDerWaalsContact O-N 3.13Å; E57-Q60 WeakPolarHBondContact O-CB 3.44Å; E57-Q60 PolarHBondContact O-N 3.17Å; E57-Q60 VanDerWaalsContact O-N 3.08Å; E57-Q60 PolarHBondContact OE2-NE2 2.95Å
58	L	95.1	Very high	92.7	Very high	3 Å²	3	67 Å²	67	2%	0.016	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-64.9	-14.4	178.3	-72	-176.2	0	0	0	114.3	V46 V54 Q60 L61 Y67 P97 A100 I129	V46-L58 HydrophobicContact CG2-CD2 4.3Å; V54-L58 HydrophobicContact CG1-CD1 3.58Å; V54-L58 HydrophobicContact CG1-CG 3.98Å; V54-L58 WeakPolarHBondContact O-CB 3.43Å; V54-L58 WeakPolarHBondContact O-CG 3.45Å; V54-L58 PolarHBondContact O-N 3.44Å; L58-Q60 PolarHBondContact O-N 3.12Å; L58-L61 HydrophobicContact CD2-CD1 3.81Å; L58-L61 PolarHBondContact O-N 2.86Å; L58-L61 VanDerWaalsContact O-N 3.09Å; L58-Y67 HydrophobicContact CB-CE1 4.41Å; L58-Y67 HydrophobicContact CD1-CD2 4.29Å; L58-Y67 HydrophobicContact CD1-CE1 4.36Å; L58-Y67 HydrophobicContact CD1-CE2 4.12Å; L58-Y67 HydrophobicContact CD1-CG 4.49Å; L58-Y67 HydrophobicContact CD2-CD1 3.65Å; L58-Y67 HydrophobicContact CD2-CE1 3.76Å; L58-Y67 HydrophobicContact CD2-CG 4.17Å; L58-Y67 HydrophobicContact CG-CE1 4.4Å; L58-P97 HydrophobicContact CD1-CB 3.75Å; L58-P97 HydrophobicContact CD1-CG 4.31Å; L58-A100 HydrophobicContact CD1-CB 4.01Å; L58-I129 HydrophobicContact CD2-CB 4.16Å; L58-I129 HydrophobicContact CD2-CD1 4.35Å; L58-I129 HydrophobicContact CD2-CG2 3.65Å
59	E	93.2	Very high	92.7	Very high	152 Å²	152	67 Å²	67	71%	0.71	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20.4	171.7	-62.1	-174.7	164.6	0	0	112.8	S56 E57 L61	S56-E59 PolarHBondContact O-N 2.96Å; E57-E59 PolarHBondContact O-N 3.26Å; E57-E59 VanDerWaalsContact O-N 3.13Å; E59-L61 VanDerWaalsContact C-N 3.32Å
60	Q	93.1	Very high	92.8	Very high	126 Å²	126	60.2 Å²	60.2	59%	0.589	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-81.9	-10.2	176.5	-62.9	169.3	65.5	0	0	113.2	V46 E57 L58	V46-Q60 HydrophobicContact CG1-CB 4.11Å; E57-Q60 WeakPolarHBondContact O-CB 3.44Å; E57-Q60 PolarHBondContact O-N 3.17Å; E57-Q60 VanDerWaalsContact O-N 3.08Å; E57-Q60 PolarHBondContact OE2-NE2 2.95Å; L58-Q60 PolarHBondContact O-N 3.12Å
61	L	93.7	Very high	92.9	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	-107.6	150.3	-178.3	-62.9	-173.4	0	0	0	111.2	R44 V46 L58 E59 Y67 I129	R44-L61 HydrophobicContact CB-CD2 3.67Å; V46-L61 HydrophobicContact CG1-CD2 4.42Å; V46-L61 HydrophobicContact CG1-CG 4.24Å; V46-L61 HydrophobicContact CG2-CD1 4.1Å; L58-L61 HydrophobicContact CD2-CD1 3.81Å; L58-L61 PolarHBondContact O-N 2.86Å; L58-L61 VanDerWaalsContact O-N 3.09Å; E59-L61 VanDerWaalsContact C-N 3.32Å; L61-Y67 HydrophobicContact CB-CD1 4.38Å; L61-Y67 HydrophobicContact CB-CE1 4Å; L61-Y67 HydrophobicContact CD1-CD1 4.13Å; L61-Y67 HydrophobicContact CD1-CE1 4.49Å; L61-I129 WeakPolarHBondContact CD1-O 3.17Å
62	P	89.3	Confident	93	Very high	32 Å²	32	57.8 Å²	57.8	21%	0.208	29%	0.285	C	S	.	.			trans	-64.4	145.7	172.6	33.9	-40.1	0	0	0	110.1	R44 E131	R44-P62 VanDerWaalsContact CZ-CD 3.5Å; P62-E131 HydrophobicContact CG-CB 3.69Å; P62-E131 VanDerWaalsContact CG-OE2 3.24Å; P62-E131 WeakPolarHBondContact CG-OE2 3.3Å
63	K	83.7	Confident	92.9	Very high	146 Å²	146	51.1 Å²	51.1	64%	0.635	26%	0.255	S	S	*	.	S	Bend	trans	-93.9	-12.7	-176.8	-59	-175.3	178.4	178.3	0	113.6	N65	K63-N65 PolarHBondContact O-N 3.48Å
64	E	80.9	Confident	92.6	Very high	179 Å²	179	50.3 Å²	50.3	84%	0.836	25%	0.252	S	S	*	.	S	Bend	trans	-67.4	-39	-160.6	-65.6	171.8	-175.7	0	0	113.4
65	N	85.1	Confident	92.1	Very high	77 Å²	77	51.2 Å²	51.2	41%	0.412	26%	0.26	S	S	.	.	S	Bend	trans	-109.1	-1.6	-172.9	-64.2	-12.9	0	0	0	114	K63 K132 D134	K63-N65 PolarHBondContact O-N 3.48Å; N65-K132 HydrophobicContact CB-CB 4.21Å; N65-K132 VanDerWaalsContact CB-O 3.28Å; N65-K132 WeakPolarHBondContact CB-O 3.38Å; N65-K132 WeakPolarHBondContact O-CB 3.38Å; N65-K132 WeakPolarHBondContact O-CD 3.49Å; N65-D134 PolarHBondContact ND2-OD2 2.94Å
66	G	93.1	Very high	91.7	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	24%	0.243	C	C	.	.			trans	81.3	-161.3	-169.7	0	0	0	0	0	113	A94 K132	G66-A94 CarbonylContact C-O 3.58Å; G66-A94 WeakPolarHBondContact CA-O 3.48Å; G66-K132 WeakPolarHBondContact O-CB 3.48Å; G66-K132 PolarHBondContact O-N 3.24Å
67	Y	96.2	Very high	91.2	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.6	-165.2	-46.8	-79.6	0	0	0	111.8	L58 L61 M93 A94 P97 I129 S130	L58-Y67 HydrophobicContact CB-CE1 4.41Å; L58-Y67 HydrophobicContact CD1-CD2 4.29Å; L58-Y67 HydrophobicContact CD1-CE1 4.36Å; L58-Y67 HydrophobicContact CD1-CE2 4.12Å; L58-Y67 HydrophobicContact CD1-CG 4.49Å; L58-Y67 HydrophobicContact CD2-CD1 3.65Å; L58-Y67 HydrophobicContact CD2-CE1 3.76Å; L58-Y67 HydrophobicContact CD2-CG 4.17Å; L58-Y67 HydrophobicContact CG-CE1 4.4Å; L61-Y67 HydrophobicContact CB-CD1 4.38Å; L61-Y67 HydrophobicContact CB-CE1 4Å; L61-Y67 HydrophobicContact CD1-CD1 4.13Å; L61-Y67 HydrophobicContact CD1-CE1 4.49Å; Y67-M93 CarbonylContact O-C 3.48Å; Y67-M93 WeakPolarHBondContact O-CA 3.35Å; Y67-A94 PolarHBondContact N-O 3.27Å; Y67-A94 PolarHBondContact O-N 2.98Å; Y67-P97 HydrophobicContact CE2-CG 4.01Å; Y67-I129 HydrophobicContact CD1-CG2 4.46Å; Y67-I129 HydrophobicContact CG-CG2 4.3Å; Y67-S130 CarbonylContact C-O 3.49Å; Y67-S130 WeakPolarHBondContact CA-O 3.38Å
68	V	95.5	Very high	91	Very high	20 Å²	20	44.4 Å²	44.4	12%	0.121	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.8	169.6	-173.5	0	0	0	0	109.3	K70 V91 H92 I129 S130 K132	V68-K70 HydrophobicContact CG1-CD 4.38Å; V68-K70 HydrophobicContact CG1-CG 3.89Å; V68-V91 HydrophobicContact CG1-CG1 3.77Å; V68-H92 CarbonylContact C-O 3.56Å; V68-H92 WeakPolarHBondContact CA-O 3.43Å; V68-I129 CarbonylContact O-C 3.58Å; V68-I129 VanDerWaalsContact O-CA 3.31Å; V68-I129 WeakPolarHBondContact O-CA 3.47Å; V68-S130 PolarHBondContact N-O 3.12Å; V68-S130 PolarHBondContact O-N 3.29Å; V68-K132 HydrophobicContact CG2-CB 4.27Å; V68-K132 HydrophobicContact CG2-CG 4.27Å
69	V	97	Very high	90.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.9	-178.6	-172.9	0	0	0	0	108.7	V91 H92 A94 A100 Y103 M107 V127 I129	V69-V91 CarbonylContact O-C 3.6Å; V69-V91 VanDerWaalsContact O-CA 3.31Å; V69-V91 WeakPolarHBondContact O-CA 3.35Å; V69-H92 PolarHBondContact N-O 3.2Å; V69-H92 PolarHBondContact O-N 2.91Å; V69-A94 HydrophobicContact CG2-CB 4.22Å; V69-A100 HydrophobicContact CG2-CB 3.85Å; V69-Y103 HydrophobicContact CG2-CD2 4.34Å; V69-M107 HydrophobicContact CG1-CE 4.06Å; V69-M107 HydrophobicContact CG1-SD 3.94Å; V69-V127 HydrophobicContact CG1-CG1 3.36Å; V69-I129 HydrophobicContact CG1-CG1 4.43Å; V69-I129 HydrophobicContact CG2-CG1 4.45Å; V69-I129 HydrophobicContact CG2-CG2 4.29Å
70	K	97	Very high	90.4	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.1	-175.2	-49.9	-170.1	-159.5	171.1	0	111.8	E28 E43 V68 Q72 G90 V91 M128 V243	E28-K70 IonicContact OE1-NZ 3.13Å; E28-K70 PolarHBondContact OE1-NZ 3.1Å; E43-K70 IonicContact OE1-NZ 3.9Å; E43-K70 PolarHBondContact OE1-NZ 2.94Å; V68-K70 HydrophobicContact CG1-CD 4.38Å; V68-K70 HydrophobicContact CG1-CG 3.89Å; K70-Q72 PolarHBondContact O-N 3.36Å; K70-Q72 PolarHBondContact O-NE2 3.18Å; K70-G90 WeakPolarHBondContact CA-O 3.15Å; K70-V91 HydrophobicContact CB-CG2 4.48Å; K70-V91 HydrophobicContact CG-CG1 4.22Å; K70-V91 HydrophobicContact CG-CG2 4.31Å; K70-M128 HydrophobicContact CB-CE 4.34Å; K70-M128 HydrophobicContact CD-CE 3.62Å; K70-M128 HydrophobicContact CG-CE 4.16Å; K70-M128 PolarHBondContact N-O 3.22Å; K70-M128 PolarHBondContact O-N 3.29Å; K70-V243 PolarHBondContact NZ-O 3.41Å
71	A	96.8	Very high	90.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	131.6	171.3	0	0	0	0	0	110.9	V73 R78 F83 G90 M107 L112 V124	A71-V73 PolarHBondContact O-N 2.91Å; A71-R78 VanDerWaalsContact O-CD 3.32Å; A71-R78 WeakPolarHBondContact O-CD 3.24Å; A71-R78 PolarHBondContact O-NH1 3.35Å; A71-R78 VanDerWaalsContact O-NH1 3.13Å; A71-F83 HydrophobicContact CB-CZ 3.81Å; A71-G90 PolarHBondContact N-O 3.44Å; A71-M107 HydrophobicContact CB-SD 4.13Å; A71-L112 HydrophobicContact CB-CD2 3.87Å; A71-V124 HydrophobicContact CB-CG1 4.28Å; A71-V124 HydrophobicContact CB-CG2 4.38Å
72	Q	94.9	Very high	90.5	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.023	26%	0.26	C	S	.	.			trans	-95	94.1	179.1	-62.8	-63.6	-72.3	0	0	109.6	H27 H29 K70 K126 M128	H27-Q72 PolarHBondContact CE1-O 2.8Å; H27-Q72 PolarHBondContact ND1-O 2.87Å; H29-Q72 PolarHBondContact ND1-OE1 3.05Å; K70-Q72 PolarHBondContact O-N 3.36Å; K70-Q72 PolarHBondContact O-NE2 3.18Å; Q72-K126 HydrophobicContact CB-CD 4.47Å; Q72-K126 HydrophobicContact CB-CG 3.67Å; Q72-K126 WeakPolarHBondContact CB-O 3.21Å; Q72-K126 HydrophobicContact CG-CG 4.06Å; Q72-K126 PolarHBondContact N-O 2.88Å; Q72-M128 HydrophobicContact CG-CB 3.94Å
73	V	91.6	Very high	90.9	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.055	25%	0.251	C	S	.	.			trans	-128	157.8	170.3	-62.9	0	0	0	0	108.9	A71 A75 R78 L112 V122 V124	A71-V73 PolarHBondContact O-N 2.91Å; V73-A75 VanDerWaalsContact C-N 3.34Å; V73-R78 HydrophobicContact CG2-CG 3.84Å; V73-L112 HydrophobicContact CG1-CD2 4.29Å; V73-L112 HydrophobicContact CG2-CD2 3.85Å; V73-V122 HydrophobicContact CB-CB 4.49Å; V73-V122 HydrophobicContact CB-CG1 4.21Å; V73-V122 HydrophobicContact CG1-CB 4.03Å; V73-V122 HydrophobicContact CG1-CG1 3.74Å; V73-V124 HydrophobicContact CG1-CG2 3.73Å
74	L	88.1	Confident	91.5	Very high	54 Å²	54	46.5 Å²	46.5	28%	0.283	25%	0.246	S	C	.	.	S	Bend	trans	-78.6	-22.4	179.3	-58.6	176.9	0	0	0	112.5	H25 D268	H25-L74 HydrophobicContact CB-CB 4.36Å; H25-L74 HydrophobicContact CB-CD1 3.95Å; H25-L74 HydrophobicContact CB-CD2 4.07Å; H25-L74 HydrophobicContact CB-CG 4.34Å; L74-D268 HydrophobicContact CD1-CB 3.67Å; L74-D268 HydrophobicContact CG-CB 4.26Å
75	A	84.7	Confident	92.2	Very high	19 Å²	19	40 Å²	40	16%	0.157	22%	0.221	C	C	.	.	S	Bend	trans	-73.2	142.9	177.3	0	0	0	0	0	112.1	V73 Q116 T117	V73-A75 VanDerWaalsContact C-N 3.34Å; A75-Q116 HydrophobicContact CB-CB 4.15Å; A75-T117 HydrophobicContact CB-CG2 3.44Å; A75-T117 VanDerWaalsContact CB-CG2 3.44Å
76	G	85.7	Confident	92.7	Very high	17 Å²	17	39 Å²	39	18%	0.175	23%	0.229	C	C	.	.	S	Bend	trans	-79.5	-177.1	171.3	0	0	0	0	0	112.7	R78 T114	G76-R78 VanDerWaalsContact C-N 3.28Å; G76-R78 PolarHBondContact O-N 3.24Å; G76-T114 PolarHBondContact O-OG1 3.34Å
77	G	84.6	Confident	92.8	Very high	46 Å²	46	39.6 Å²	39.6	47%	0.474	23%	0.232	S	C	.	.			trans	73	17.5	176.5	0	0	0	0	0	114.8	M79 K80 G81	G77-M79 VanDerWaalsContact C-N 3.27Å; G77-M79 PolarHBondContact O-N 2.76Å; G77-K80 PolarHBondContact O-N 2.81Å; G77-K80 VanDerWaalsContact O-N 3.11Å; G77-G81 PolarHBondContact O-N 2.5Å
78	R	90.9	Very high	92.8	Very high	21 Å²	21	45.9 Å²	45.9	8%	0.079	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-50	-44.8	-178.4	-63.3	175.8	-73.2	172.8	-2.9	112.4	E28 A71 V73 G76 K80 G81 G90 V91 L112 D244	E28-R78 IonicContact OE2-CZ 2.81Å; E28-R78 VanDerWaalsContact OE2-CZ 3.26Å; E28-R78 IonicContact OE2-NH1 2.69Å; E28-R78 PolarHBondContact OE2-NH1 3.34Å; E28-R78 IonicContact OE2-NH2 2.72Å; E28-R78 PolarHBondContact OE2-NH2 2.98Å; A71-R78 VanDerWaalsContact O-CD 3.32Å; A71-R78 WeakPolarHBondContact O-CD 3.24Å; A71-R78 PolarHBondContact O-NH1 3.35Å; A71-R78 VanDerWaalsContact O-NH1 3.13Å; V73-R78 HydrophobicContact CG2-CG 3.84Å; G76-R78 VanDerWaalsContact C-N 3.28Å; G76-R78 PolarHBondContact O-N 3.24Å; R78-K80 VanDerWaalsContact C-N 3.26Å; R78-K80 PolarHBondContact O-N 3.13Å; R78-G81 PolarHBondContact O-N 3.08Å; R78-G90 WeakPolarHBondContact O-CA 3.46Å; R78-G90 PolarHBondContact O-N 2.99Å; R78-V91 HydrophobicContact CB-CG2 4.17Å; R78-L112 HydrophobicContact CB-CD2 4.43Å; R78-L112 HydrophobicContact CG-CD2 4.23Å; R78-D244 IonicContact NH2-OD1 3.2Å; R78-D244 PolarHBondContact NH2-OD1 2.7Å; R78-D244 IonicContact NH2-OD2 2.63Å; R78-D244 PolarHBondContact NH2-OD2 2.8Å
79	M	88.4	Confident	92.7	Very high	136 Å²	136	45 Å²	45	67%	0.67	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.1	-33.7	-177.7	-172.3	-178.2	-76.1	0	0	113.8	G77 G89	G77-M79 VanDerWaalsContact C-N 3.27Å; G77-M79 PolarHBondContact O-N 2.76Å; M79-G89 WeakPolarHBondContact O-CA 3.45Å
80	K	88.6	Confident	92.6	Very high	167 Å²	167	45 Å²	45	73%	0.726	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-96.8	2.5	179.8	-63.5	178.9	-178.1	171.5	0	113.1	G77 R78	G77-K80 PolarHBondContact O-N 2.81Å; G77-K80 VanDerWaalsContact O-N 3.11Å; R78-K80 VanDerWaalsContact C-N 3.26Å; R78-K80 PolarHBondContact O-N 3.13Å
81	G	92.7	Very high	92.5	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	27%	0.268	C	S	.	.			trans	-77	178.9	179.1	0	0	0	0	0	112.9	G77 R78 G89 V113	G77-G81 PolarHBondContact O-N 2.5Å; R78-G81 PolarHBondContact O-N 3.08Å; G81-G89 WeakPolarHBondContact O-CA 3.36Å; G81-G89 PolarHBondContact O-N 2.93Å; G81-V113 CarbonylContact C-O 3.56Å; G81-V113 WeakPolarHBondContact CA-O 3.5Å
82	Y	96.2	Very high	92.5	Very high	127 Å²	127	47.7 Å²	47.7	50%	0.498	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.5	170.9	63	-89.2	0	0	0	110.1	L87 V113	Y82-L87 CarbonylContact C-O 3.54Å; Y82-L87 WeakPolarHBondContact CA-O 3.3Å; Y82-V113 HydrophobicContact CD1-CB 4.24Å; Y82-V113 HydrophobicContact CD2-CB 4.33Å; Y82-V113 HydrophobicContact CE1-CB 3.79Å; Y82-V113 HydrophobicContact CE1-CG1 3.71Å; Y82-V113 HydrophobicContact CE2-CB 3.89Å; Y82-V113 HydrophobicContact CE2-CG1 4.43Å; Y82-V113 HydrophobicContact CE2-CG2 3.88Å; Y82-V113 HydrophobicContact CG-CB 4.5Å; Y82-V113 PolarHBondContact N-O 2.83Å; Y82-V113 PolarHBondContact O-N 2.91Å
83	F	97.4	Very high	92.5	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	154.7	178	-75.2	-93.9	0	0	0	112.1	A71 S85 G86 L87 G89 M107 H110 H111 L112 V124	A71-F83 HydrophobicContact CB-CZ 3.81Å; F83-S85 WeakPolarHBondContact CB-OG 3.32Å; F83-S85 PolarHBondContact O-N 3.45Å; F83-G86 PolarHBondContact O-N 2.94Å; F83-L87 HydrophobicContact CB-CB 4.14Å; F83-L87 HydrophobicContact CD2-CB 3.95Å; F83-L87 HydrophobicContact CD2-CD2 3.93Å; F83-L87 HydrophobicContact CD2-CG 4.18Å; F83-L87 HydrophobicContact CE2-CD2 4.02Å; F83-L87 HydrophobicContact CG-CB 4.37Å; F83-L87 PolarHBondContact N-O 3.1Å; F83-G89 WeakPolarHBondContact CE2-O 3.41Å; F83-M107 HydrophobicContact CE1-CB 3.86Å; F83-M107 HydrophobicContact CE1-CG 3.97Å; F83-M107 HydrophobicContact CE2-CE 4.39Å; F83-M107 HydrophobicContact CE2-CG 3.78Å; F83-M107 HydrophobicContact CZ-CB 3.82Å; F83-M107 HydrophobicContact CZ-CG 3.44Å; F83-M107 VanDerWaalsContact CZ-CG 3.44Å; F83-M107 HydrophobicContact CZ-SD 4.15Å; F83-H110 HydrophobicContact CB-CB 4.47Å; F83-H110 HydrophobicContact CD1-CB 3.9Å; F83-H111 CarbonylContact C-O 3.45Å; F83-H111 VanDerWaalsContact CA-O 3.24Å; F83-H111 WeakPolarHBondContact CA-O 3.36Å; F83-L112 HydrophobicContact CD1-CB 4.14Å; F83-L112 HydrophobicContact CD2-CD1 4.04Å; F83-L112 HydrophobicContact CE1-CB 3.79Å; F83-L112 HydrophobicContact CE1-CD1 4.47Å; F83-L112 HydrophobicContact CE2-CD1 3.81Å; F83-L112 HydrophobicContact CG-CD1 4.48Å; F83-L112 HydrophobicContact CZ-CB 4.04Å; F83-L112 HydrophobicContact CZ-CD1 4.02Å; F83-L112 HydrophobicContact CZ-CD2 4.19Å; F83-L112 HydrophobicContact CZ-CG 4.31Å; F83-V124 HydrophobicContact CE1-CB 4.21Å; F83-V124 HydrophobicContact CE1-CG2 3.64Å; F83-V124 HydrophobicContact CZ-CG2 4.31Å
84	S	95.9	Very high	92.7	Very high	78 Å²	78	53 Å²	53	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.2	167.6	63	0	0	0	0	114.1	G86 H110 H111	S84-G86 VanDerWaalsContact C-N 3.28Å; S84-H110 WeakPolarHBondContact OG-CB 3.29Å; S84-H110 PolarHBondContact OG-ND1 3.44Å; S84-H111 PolarHBondContact N-O 2.97Å; S84-H111 PolarHBondContact OG-N 3.04Å; S84-H111 VanDerWaalsContact OG-N 3.08Å
85	S	95.6	Very high	92.9	Very high	42 Å²	42	54.5 Å²	54.5	29%	0.294	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.5	169.5	55.9	0	0	0	0	113.9	F83 L87 Q106	F83-S85 WeakPolarHBondContact CB-OG 3.32Å; F83-S85 PolarHBondContact O-N 3.45Å; S85-L87 PolarHBondContact OG-N 3.08Å; S85-Q106 WeakPolarHBondContact CB-O 3.39Å; S85-Q106 PolarHBondContact OG-O 2.63Å
86	G	95.3	Very high	93.3	Very high	58 Å²	58	58.6 Å²	58.6	60%	0.598	33%	0.331	S	S	*	.	S	Bend	trans	94.9	-6.9	-171.4	0	0	0	0	0	114.4	F83 S84 I88	F83-G86 PolarHBondContact O-N 2.94Å; S84-G86 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 3.22Å
87	L	96.5	Very high	93.7	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	33%	0.333	C	S	.	.			trans	-65.4	126.9	175.1	-175.7	70.8	0	0	0	110.6	Y82 F83 S85 Y103 Q106 M107	Y82-L87 CarbonylContact C-O 3.54Å; Y82-L87 WeakPolarHBondContact CA-O 3.3Å; F83-L87 HydrophobicContact CB-CB 4.14Å; F83-L87 HydrophobicContact CD2-CB 3.95Å; F83-L87 HydrophobicContact CD2-CD2 3.93Å; F83-L87 HydrophobicContact CD2-CG 4.18Å; F83-L87 HydrophobicContact CE2-CD2 4.02Å; F83-L87 HydrophobicContact CG-CB 4.37Å; F83-L87 PolarHBondContact N-O 3.1Å; S85-L87 PolarHBondContact OG-N 3.08Å; L87-Y103 HydrophobicContact CD1-CD1 3.98Å; L87-Y103 HydrophobicContact CD1-CE1 4.09Å; L87-Y103 HydrophobicContact CD2-CD1 4.38Å; L87-Q106 HydrophobicContact CB-CB 4.2Å; L87-Q106 HydrophobicContact CD2-CB 4.03Å; L87-M107 HydrophobicContact CD2-CE 3.89Å; L87-M107 HydrophobicContact CD2-CG 3.82Å
88	I	95.8	Very high	94.1	Very high	134 Å²	134	63.4 Å²	63.4	69%	0.687	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-92.6	124.7	175.8	-57	175.6	0	0	0	108.5	G86 H92	G86-I88 PolarHBondContact O-N 3.22Å; I88-H92 PolarHBondContact O-CE1 3.09Å; I88-H92 PolarHBondContact O-NE2 2.77Å
89	G	93.9	Very high	94.3	Very high	3 Å²	3	65 Å²	65	3%	0.031	35%	0.348	C	S	.	.			trans	89.5	138.8	-179.8	0	0	0	0	0	113.7	M79 G81 F83 H92	M79-G89 WeakPolarHBondContact O-CA 3.45Å; G81-G89 WeakPolarHBondContact O-CA 3.36Å; G81-G89 PolarHBondContact O-N 2.93Å; F83-G89 WeakPolarHBondContact CE2-O 3.41Å; G89-H92 PolarHBondContact O-CD2 3.13Å; G89-H92 VanDerWaalsContact O-CD2 3.31Å; G89-H92 PolarHBondContact O-NE2 3.29Å
90	G	94.2	Very high	94.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-90.4	3.4	173.9	0	0	0	0	0	114.9	K70 A71 R78	K70-G90 WeakPolarHBondContact CA-O 3.15Å; A71-G90 PolarHBondContact N-O 3.44Å; R78-G90 WeakPolarHBondContact O-CA 3.46Å; R78-G90 PolarHBondContact O-N 2.99Å
91	V	95.1	Very high	95.1	Very high	38 Å²	38	51.5 Å²	51.5	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.2	-179.2	178.9	0	0	0	0	108	V68 V69 K70 R78	V68-V91 HydrophobicContact CG1-CG1 3.77Å; V69-V91 CarbonylContact O-C 3.6Å; V69-V91 VanDerWaalsContact O-CA 3.31Å; V69-V91 WeakPolarHBondContact O-CA 3.35Å; K70-V91 HydrophobicContact CB-CG2 4.48Å; K70-V91 HydrophobicContact CG-CG1 4.22Å; K70-V91 HydrophobicContact CG-CG2 4.31Å; R78-V91 HydrophobicContact CB-CG2 4.17Å
92	H	96	Very high	95.3	Very high	28 Å²	28	53.9 Å²	53.9	13%	0.13	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145	-177.5	-72.8	-91.9	0	0	0	111.3	V68 V69 I88 G89 Y103 M107	V68-H92 CarbonylContact C-O 3.56Å; V68-H92 WeakPolarHBondContact CA-O 3.43Å; V69-H92 PolarHBondContact N-O 3.2Å; V69-H92 PolarHBondContact O-N 2.91Å; I88-H92 PolarHBondContact O-CE1 3.09Å; I88-H92 PolarHBondContact O-NE2 2.77Å; G89-H92 PolarHBondContact O-CD2 3.13Å; G89-H92 VanDerWaalsContact O-CD2 3.31Å; G89-H92 PolarHBondContact O-NE2 3.29Å; H92-Y103 HydrophobicContact CB-CD1 3.94Å; H92-Y103 HydrophobicContact CB-CD2 3.72Å; H92-Y103 HydrophobicContact CB-CE1 3.94Å; H92-Y103 HydrophobicContact CB-CE2 3.7Å; H92-Y103 HydrophobicContact CB-CG 3.84Å; H92-Y103 AromaticContact CE1-CE1 3.96Å; H92-Y103 AromaticContact CG-CD1 3.7Å; H92-Y103 AromaticContact CG-CE1 3.62Å; H92-Y103 AromaticContact CG-CZ 3.93Å; H92-Y103 AromaticContact ND1-CD1 3.83Å; H92-Y103 AromaticContact ND1-CE1 3.3Å; H92-Y103 VanDerWaalsContact ND1-CE1 3.3Å; H92-Y103 WeakPolarHBondContact ND1-CE1 3.39Å; H92-Y103 AromaticContact ND1-CZ 3.63Å; H92-M107 WeakPolarHBondContact CD2-CE 3.43Å
93	M	95	Very high	95.3	Very high	125 Å²	125	50.1 Å²	50.1	62%	0.616	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.3	170.9	-63.2	-177.3	-175.5	0	0	108.8	Y67 Y103	Y67-M93 CarbonylContact O-C 3.48Å; Y67-M93 WeakPolarHBondContact O-CA 3.35Å; M93-Y103 WeakPolarHBondContact O-CE2 3.35Å
94	A	95.3	Very high	95.3	Very high	1 Å²	1	50 Å²	50	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120	175.8	0	0	0	0	0	109.6	G66 Y67 V69 Q96 E99 A100 Y103	G66-A94 CarbonylContact C-O 3.58Å; G66-A94 WeakPolarHBondContact CA-O 3.48Å; Y67-A94 PolarHBondContact N-O 3.27Å; Y67-A94 PolarHBondContact O-N 2.98Å; V69-A94 HydrophobicContact CG2-CB 4.22Å; A94-Q96 VanDerWaalsContact C-N 3.27Å; A94-Q96 PolarHBondContact O-N 3.24Å; A94-E99 WeakPolarHBondContact CA-OE2 3.38Å; A94-E99 HydrophobicContact CB-CB 4.04Å; A94-E99 HydrophobicContact CB-CG 3.92Å; A94-A100 HydrophobicContact CB-CB 3.78Å; A94-Y103 HydrophobicContact CB-CD2 4.29Å; A94-Y103 HydrophobicContact CB-CE2 4.39Å
95	S	93.7	Very high	95.4	Very high	85 Å²	85	52 Å²	52	59%	0.594	29%	0.291	S	S	*	.	S	Bend	trans	-75.6	-20.9	178	-55.8	0	0	0	0	111.9	E99	S95-E99 PolarHBondContact N-OE2 3.02Å
96	Q	92.8	Very high	95.5	Very high	104 Å²	104	53 Å²	53	49%	0.486	29%	0.291	S	S	.	.	S	Bend	trans	-139.1	153.3	-174.3	-64.6	-65.2	-30	0	0	112	A94 H98 E99 A100	A94-Q96 VanDerWaalsContact C-N 3.27Å; A94-Q96 PolarHBondContact O-N 3.24Å; Q96-H98 VanDerWaalsContact C-N 3.27Å; Q96-H98 WeakPolarHBondContact CB-CE1 3.3Å; Q96-H98 VanDerWaalsContact CB-ND1 3.33Å; Q96-H98 WeakPolarHBondContact CB-ND1 3.24Å; Q96-H98 PolarHBondContact O-N 3.02Å; Q96-E99 WeakPolarHBondContact O-CB 3.22Å; Q96-E99 PolarHBondContact O-N 3.45Å; Q96-E99 VanDerWaalsContact O-N 3.12Å; Q96-A100 PolarHBondContact O-N 3.22Å
97	P	93.5	Very high	95.6	Very high	32 Å²	32	50.3 Å²	50.3	21%	0.208	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-35.7	179.6	-29.6	37.4	0	0	0	115	L55 L58 Y67 E99 A100 A101	L55-P97 HydrophobicContact CD2-CB 3.56Å; L58-P97 HydrophobicContact CD1-CB 3.75Å; L58-P97 HydrophobicContact CD1-CG 4.31Å; Y67-P97 HydrophobicContact CE2-CG 4.01Å; P97-E99 VanDerWaalsContact C-N 3.34Å; P97-A100 PolarHBondContact O-N 2.85Å; P97-A101 PolarHBondContact O-N 3.5Å
98	H	93.6	Very high	95.6	Very high	132 Å²	132	51 Å²	51	61%	0.611	27%	0.266	S	S	*	.	H	α-helix	trans	-68.3	-34.5	179.9	68.9	-92.1	0	0	0	112.4	Q96 A101 S102	Q96-H98 VanDerWaalsContact C-N 3.27Å; Q96-H98 WeakPolarHBondContact CB-CE1 3.3Å; Q96-H98 VanDerWaalsContact CB-ND1 3.33Å; Q96-H98 WeakPolarHBondContact CB-ND1 3.24Å; Q96-H98 PolarHBondContact O-N 3.02Å; H98-A101 PolarHBondContact O-N 3.42Å; H98-S102 PolarHBondContact O-N 3.27Å
99	E	95.5	Very high	95.6	Very high	56 Å²	56	46.3 Å²	46.3	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-68.6	-41.8	175.8	-177.4	178.5	-160.2	0	0	110	A94 S95 Q96 P97 A101 S102 Y103	A94-E99 WeakPolarHBondContact CA-OE2 3.38Å; A94-E99 HydrophobicContact CB-CB 4.04Å; A94-E99 HydrophobicContact CB-CG 3.92Å; S95-E99 PolarHBondContact N-OE2 3.02Å; Q96-E99 WeakPolarHBondContact O-CB 3.22Å; Q96-E99 PolarHBondContact O-N 3.45Å; Q96-E99 VanDerWaalsContact O-N 3.12Å; P97-E99 VanDerWaalsContact C-N 3.34Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 3Å; E99-S102 PolarHBondContact O-N 3.35Å; E99-Y103 HydrophobicContact CG-CD2 4.03Å; E99-Y103 HydrophobicContact CG-CE2 3.52Å; E99-Y103 VanDerWaalsContact O-CD2 3.26Å; E99-Y103 WeakPolarHBondContact O-CD2 3.24Å; E99-Y103 PolarHBondContact O-N 3.44Å
100	A	96.1	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-38.2	173.4	0	0	0	0	0	112.4	V54 L58 V69 A94 Q96 P97 T104 I129	V54-A100 HydrophobicContact CG1-CB 4.09Å; L58-A100 HydrophobicContact CD1-CB 4.01Å; V69-A100 HydrophobicContact CG2-CB 3.85Å; A94-A100 HydrophobicContact CB-CB 3.78Å; Q96-A100 PolarHBondContact O-N 3.22Å; P97-A100 PolarHBondContact O-N 2.85Å; A100-T104 WeakPolarHBondContact O-CB 3.5Å; A100-T104 PolarHBondContact O-N 2.85Å; A100-T104 PolarHBondContact O-OG1 3.47Å; A100-I129 HydrophobicContact CB-CD1 4.43Å
101	A	96.4	Very high	95.7	Very high	18 Å²	18	52.5 Å²	52.5	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-42.5	174.9	0	0	0	0	0	112	V54 P97 H98 E99 T104 E105	V54-A101 HydrophobicContact CB-CB 4.08Å; V54-A101 HydrophobicContact CG1-CB 4.05Å; V54-A101 HydrophobicContact CG2-CB 4.45Å; P97-A101 PolarHBondContact O-N 3.5Å; H98-A101 PolarHBondContact O-N 3.42Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 3Å; A101-T104 WeakPolarHBondContact O-CB 3.41Å; A101-T104 PolarHBondContact O-N 3.46Å; A101-E105 PolarHBondContact O-N 3.44Å
102	S	96.6	Very high	95.8	Very high	52 Å²	52	50.7 Å²	50.7	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-42.1	177.1	-176.2	0	0	0	0	112.7	H98 E99 E105 Q106	H98-S102 PolarHBondContact O-N 3.27Å; E99-S102 PolarHBondContact O-N 3.35Å; S102-E105 PolarHBondContact O-N 3.32Å; S102-Q106 PolarHBondContact O-N 3.44Å; S102-Q106 PolarHBondContact O-NE2 3.28Å; S102-Q106 PolarHBondContact OG-NE2 3.3Å
103	Y	97.5	Very high	95.7	Very high	48 Å²	48	50.1 Å²	50.1	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-43.3	172.6	-71.6	-52.3	0	0	0	111.5	V69 L87 H92 M93 A94 E99 E105 Q106 M107	V69-Y103 HydrophobicContact CG2-CD2 4.34Å; L87-Y103 HydrophobicContact CD1-CD1 3.98Å; L87-Y103 HydrophobicContact CD1-CE1 4.09Å; L87-Y103 HydrophobicContact CD2-CD1 4.38Å; H92-Y103 HydrophobicContact CB-CD1 3.94Å; H92-Y103 HydrophobicContact CB-CD2 3.72Å; H92-Y103 HydrophobicContact CB-CE1 3.94Å; H92-Y103 HydrophobicContact CB-CE2 3.7Å; H92-Y103 HydrophobicContact CB-CG 3.84Å; H92-Y103 AromaticContact CE1-CE1 3.96Å; H92-Y103 AromaticContact CG-CD1 3.7Å; H92-Y103 AromaticContact CG-CE1 3.62Å; H92-Y103 AromaticContact CG-CZ 3.93Å; H92-Y103 AromaticContact ND1-CD1 3.83Å; H92-Y103 AromaticContact ND1-CE1 3.3Å; H92-Y103 VanDerWaalsContact ND1-CE1 3.3Å; H92-Y103 WeakPolarHBondContact ND1-CE1 3.39Å; H92-Y103 AromaticContact ND1-CZ 3.63Å; M93-Y103 WeakPolarHBondContact O-CE2 3.35Å; A94-Y103 HydrophobicContact CB-CD2 4.29Å; A94-Y103 HydrophobicContact CB-CE2 4.39Å; E99-Y103 HydrophobicContact CG-CD2 4.03Å; E99-Y103 HydrophobicContact CG-CE2 3.52Å; E99-Y103 VanDerWaalsContact O-CD2 3.26Å; E99-Y103 WeakPolarHBondContact O-CD2 3.24Å; E99-Y103 PolarHBondContact O-N 3.44Å; Y103-E105 VanDerWaalsContact C-N 3.27Å; Y103-E105 PolarHBondContact O-N 3.19Å; Y103-Q106 PolarHBondContact O-N 2.92Å; Y103-Q106 VanDerWaalsContact O-N 3.15Å; Y103-M107 VanDerWaalsContact O-CG 3.23Å; Y103-M107 WeakPolarHBondContact O-CG 3.5Å; Y103-M107 PolarHBondContact O-N 2.79Å
104	T	97.4	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-39.9	178.5	-60.1	0	0	0	0	111.8	V48 P51 V54 A100 A101 M107 I108 V127	V48-T104 HydrophobicContact CG2-CG2 3.79Å; P51-T104 HydrophobicContact CG-CG2 4.37Å; V54-T104 HydrophobicContact CG2-CG2 3.86Å; A100-T104 WeakPolarHBondContact O-CB 3.5Å; A100-T104 PolarHBondContact O-N 2.85Å; A100-T104 PolarHBondContact O-OG1 3.47Å; A101-T104 WeakPolarHBondContact O-CB 3.41Å; A101-T104 PolarHBondContact O-N 3.46Å; T104-M107 PolarHBondContact O-N 3.05Å; T104-I108 HydrophobicContact CG2-CD1 3.5Å; T104-I108 HydrophobicContact CG2-CG1 4Å; T104-I108 PolarHBondContact O-N 2.7Å; T104-V127 HydrophobicContact CG2-CB 4.44Å; T104-V127 HydrophobicContact CG2-CG2 4.48Å
105	E	97.3	Very high	95.2	Very high	122 Å²	122	54.1 Å²	54.1	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-62.9	-41.4	176	-176.2	172.4	-149.7	0	0	112.7	P51 A101 S102 Y103 M107	P51-E105 HydrophobicContact CB-CB 4.16Å; P51-E105 VanDerWaalsContact CG-CA 3.49Å; P51-E105 HydrophobicContact CG-CB 3.67Å; P51-E105 HydrophobicContact CG-CG 4.19Å; A101-E105 PolarHBondContact O-N 3.44Å; S102-E105 PolarHBondContact O-N 3.32Å; Y103-E105 VanDerWaalsContact C-N 3.27Å; Y103-E105 PolarHBondContact O-N 3.19Å; E105-M107 VanDerWaalsContact C-N 3.27Å; E105-M107 PolarHBondContact O-N 2.71Å
106	Q	97	Very high	94.7	Very high	63 Å²	63	55.9 Å²	55.9	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-75.7	-15.2	178	-68.5	173.6	76.5	0	0	113.4	S85 L87 S102 Y103 H110	S85-Q106 WeakPolarHBondContact CB-O 3.39Å; S85-Q106 PolarHBondContact OG-O 2.63Å; L87-Q106 HydrophobicContact CB-CB 4.2Å; L87-Q106 HydrophobicContact CD2-CB 4.03Å; S102-Q106 PolarHBondContact O-N 3.44Å; S102-Q106 PolarHBondContact O-NE2 3.28Å; S102-Q106 PolarHBondContact OG-NE2 3.3Å; Y103-Q106 PolarHBondContact O-N 2.92Å; Y103-Q106 VanDerWaalsContact O-N 3.15Å; Q106-H110 PolarHBondContact O-CD2 3.4Å; Q106-H110 VanDerWaalsContact O-CD2 3.27Å
107	M	97.8	Very high	94.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-95.4	-53.2	179	-68.6	-174.1	-176.9	0	0	112.7	V69 A71 F83 L87 H92 Y103 T104 E105 G109 H110 V124 V127	V69-M107 HydrophobicContact CG1-CE 4.06Å; V69-M107 HydrophobicContact CG1-SD 3.94Å; A71-M107 HydrophobicContact CB-SD 4.13Å; F83-M107 HydrophobicContact CE1-CB 3.86Å; F83-M107 HydrophobicContact CE1-CG 3.97Å; F83-M107 HydrophobicContact CE2-CE 4.39Å; F83-M107 HydrophobicContact CE2-CG 3.78Å; F83-M107 HydrophobicContact CZ-CB 3.82Å; F83-M107 HydrophobicContact CZ-CG 3.44Å; F83-M107 VanDerWaalsContact CZ-CG 3.44Å; F83-M107 HydrophobicContact CZ-SD 4.15Å; L87-M107 HydrophobicContact CD2-CE 3.89Å; L87-M107 HydrophobicContact CD2-CG 3.82Å; H92-M107 WeakPolarHBondContact CD2-CE 3.43Å; Y103-M107 VanDerWaalsContact O-CG 3.23Å; Y103-M107 WeakPolarHBondContact O-CG 3.5Å; Y103-M107 PolarHBondContact O-N 2.79Å; T104-M107 PolarHBondContact O-N 3.05Å; E105-M107 VanDerWaalsContact C-N 3.27Å; E105-M107 PolarHBondContact O-N 2.71Å; M107-G109 PolarHBondContact O-N 3.34Å; M107-H110 PolarHBondContact O-N 3.28Å; M107-V124 WeakPolarHBondContact O-CB 3.33Å; M107-V127 HydrophobicContact CB-CG2 3.79Å; M107-V127 HydrophobicContact CG-CG2 4.48Å; M107-V127 HydrophobicContact SD-CG1 4.29Å; M107-V127 HydrophobicContact SD-CG2 3.86Å
108	I	96.7	Very high	93.7	Very high	29 Å²	29	53.1 Å²	53.1	15%	0.149	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	130.3	-173.6	-65.4	-174.8	0	0	0	109.8	R49 T104 H110 V124 V127	R49-I108 VanDerWaalsContact C-CD1 3.43Å; T104-I108 HydrophobicContact CG2-CD1 3.5Å; T104-I108 HydrophobicContact CG2-CG1 4Å; T104-I108 PolarHBondContact O-N 2.7Å; I108-H110 VanDerWaalsContact C-N 3.32Å; I108-V124 WeakPolarHBondContact CA-O 3.32Å; I108-V127 HydrophobicContact CD1-CB 4.47Å; I108-V127 HydrophobicContact CD1-CG2 4.19Å; I108-V127 HydrophobicContact CG1-CG2 3.71Å
109	G	95.2	Very high	93.3	Very high	37 Å²	37	55.5 Å²	55.5	38%	0.381	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-0.1	-177.4	0	0	0	0	0	114.3	M107 F123 V124	M107-G109 PolarHBondContact O-N 3.34Å; G109-F123 VanDerWaalsContact C-CE2 3.45Å; G109-F123 WeakPolarHBondContact O-CE2 3.22Å; G109-V124 PolarHBondContact N-O 3.14Å
110	H	96.3	Very high	92.8	Very high	58 Å²	58	60.4 Å²	60.4	27%	0.269	31%	0.314	S	S	.	.	S	Bend	trans	-113.5	160.9	178.8	-65.2	-78.1	0	0	0	111.6	F83 S84 Q106 M107 I108 V124	F83-H110 HydrophobicContact CB-CB 4.47Å; F83-H110 HydrophobicContact CD1-CB 3.9Å; S84-H110 WeakPolarHBondContact OG-CB 3.29Å; S84-H110 PolarHBondContact OG-ND1 3.44Å; Q106-H110 PolarHBondContact O-CD2 3.4Å; Q106-H110 VanDerWaalsContact O-CD2 3.27Å; M107-H110 PolarHBondContact O-N 3.28Å; I108-H110 VanDerWaalsContact C-N 3.32Å; H110-V124 PolarHBondContact O-N 3.17Å
111	H	95.2	Very high	92.5	Very high	74 Å²	74	61 Å²	61	34%	0.343	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.6	176.7	-71	80.7	0	0	0	109.7	F83 S84 E120 V122 F123	F83-H111 CarbonylContact C-O 3.45Å; F83-H111 VanDerWaalsContact CA-O 3.24Å; F83-H111 WeakPolarHBondContact CA-O 3.36Å; S84-H111 PolarHBondContact N-O 2.97Å; S84-H111 PolarHBondContact OG-N 3.04Å; S84-H111 VanDerWaalsContact OG-N 3.08Å; H111-E120 WeakPolarHBondContact CB-O 3.26Å; H111-E120 PolarHBondContact CD2-O 2.9Å; H111-V122 CarbonylContact C-O 3.52Å; H111-V122 WeakPolarHBondContact CA-O 3.02Å; H111-F123 AromaticContact CE1-CD2 3.64Å; H111-F123 AromaticContact ND1-CD2 4Å; H111-F123 AromaticContact NE2-CD2 3.97Å
112	L	96.2	Very high	92.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.5	172.1	174.8	58.6	0	0	0	109.5	A71 V73 R78 F83 T114 G121 V122 V124	A71-L112 HydrophobicContact CB-CD2 3.87Å; V73-L112 HydrophobicContact CG1-CD2 4.29Å; V73-L112 HydrophobicContact CG2-CD2 3.85Å; R78-L112 HydrophobicContact CB-CD2 4.43Å; R78-L112 HydrophobicContact CG-CD2 4.23Å; F83-L112 HydrophobicContact CD1-CB 4.14Å; F83-L112 HydrophobicContact CD2-CD1 4.04Å; F83-L112 HydrophobicContact CE1-CB 3.79Å; F83-L112 HydrophobicContact CE1-CD1 4.47Å; F83-L112 HydrophobicContact CE2-CD1 3.81Å; F83-L112 HydrophobicContact CG-CD1 4.48Å; F83-L112 HydrophobicContact CZ-CB 4.04Å; F83-L112 HydrophobicContact CZ-CD1 4.02Å; F83-L112 HydrophobicContact CZ-CD2 4.19Å; F83-L112 HydrophobicContact CZ-CG 4.31Å; L112-T114 HydrophobicContact CD1-CG2 4.37Å; L112-T114 HydrophobicContact CD2-CG2 4.3Å; L112-T114 HydrophobicContact CG-CG2 3.96Å; L112-G121 CarbonylContact O-C 3.44Å; L112-G121 WeakPolarHBondContact O-CA 3.46Å; L112-V122 PolarHBondContact N-O 3.12Å; L112-V122 PolarHBondContact O-N 2.96Å; L112-V124 HydrophobicContact CB-CG2 3.8Å
113	V	94.8	Very high	92	Very high	17 Å²	17	63.1 Å²	63.1	10%	0.103	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.2	172.6	-178.6	0	0	0	0	109.1	G81 Y82 E119	G81-V113 CarbonylContact C-O 3.56Å; G81-V113 WeakPolarHBondContact CA-O 3.5Å; Y82-V113 HydrophobicContact CD1-CB 4.24Å; Y82-V113 HydrophobicContact CD2-CB 4.33Å; Y82-V113 HydrophobicContact CE1-CB 3.79Å; Y82-V113 HydrophobicContact CE1-CG1 3.71Å; Y82-V113 HydrophobicContact CE2-CB 3.89Å; Y82-V113 HydrophobicContact CE2-CG1 4.43Å; Y82-V113 HydrophobicContact CE2-CG2 3.88Å; Y82-V113 HydrophobicContact CG-CB 4.5Å; Y82-V113 PolarHBondContact N-O 2.83Å; Y82-V113 PolarHBondContact O-N 2.91Å; V113-E119 WeakPolarHBondContact CG2-O 3.42Å
114	T	91.8	Very high	91.9	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	31%	0.314	C	S	.	.			trans	-130.7	172.6	172.6	76.2	0	0	0	0	109.3	G76 L112 Q116 T117	G76-T114 PolarHBondContact O-OG1 3.34Å; L112-T114 HydrophobicContact CD1-CG2 4.37Å; L112-T114 HydrophobicContact CD2-CG2 4.3Å; L112-T114 HydrophobicContact CG-CG2 3.96Å; T114-Q116 PolarHBondContact O-N 2.73Å; T114-Q116 PolarHBondContact OG1-N 3.03Å; T114-T117 HydrophobicContact CG2-CG2 4.32Å; T114-T117 PolarHBondContact N-OG1 3.07Å; T114-T117 PolarHBondContact O-N 3.04Å; T114-T117 PolarHBondContact O-OG1 3.36Å; T114-T117 WeakPolarHBondContact OG1-CG2 3.46Å; T114-T117 PolarHBondContact OG1-N 3.17Å
115	K	87.3	Confident	91.8	Very high	199 Å²	199	66 Å²	66	87%	0.865	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.4	170.7	-66.7	-171.3	176.7	-172.4	0	113.8
116	Q	83.6	Confident	91.7	Very high	121 Å²	121	61.1 Å²	61.1	57%	0.565	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-2	-174.5	-63.2	-175.4	-1.3	0	0	114.2	A75 T114	A75-Q116 HydrophobicContact CB-CB 4.15Å; T114-Q116 PolarHBondContact O-N 2.73Å; T114-Q116 PolarHBondContact OG1-N 3.03Å
117	T	83	Confident	91.7	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-9.9	-174	55.3	0	0	0	0	114.7	A75 T114 V122	A75-T117 HydrophobicContact CB-CG2 3.44Å; A75-T117 VanDerWaalsContact CB-CG2 3.44Å; T114-T117 HydrophobicContact CG2-CG2 4.32Å; T114-T117 PolarHBondContact N-OG1 3.07Å; T114-T117 PolarHBondContact O-N 3.04Å; T114-T117 PolarHBondContact O-OG1 3.36Å; T114-T117 WeakPolarHBondContact OG1-CG2 3.46Å; T114-T117 PolarHBondContact OG1-N 3.17Å; T117-V122 HydrophobicContact CG2-CB 4.36Å; T117-V122 HydrophobicContact CG2-CG2 3.52Å
118	G	82.7	Confident	91.7	Very high	49 Å²	49	58.1 Å²	58.1	51%	0.505	30%	0.296	S	S	.	.			trans	71.1	-177.4	-164.7	0	0	0	0	0	112.4	G121	G118-G121 PolarHBondContact O-N 3.05Å
119	E	85	Confident	91.7	Very high	181 Å²	181	56.7 Å²	56.7	85%	0.846	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.8	-171	-62.6	-175.9	169.7	0	0	113.9	V113 G121	V113-E119 WeakPolarHBondContact CG2-O 3.42Å; E119-G121 PolarHBondContact O-N 3.39Å
120	E	84.6	Confident	91.7	Very high	160 Å²	160	55 Å²	55	75%	0.748	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.9	178.7	-65.5	-64.9	158.5	0	0	113	H111	H111-E120 WeakPolarHBondContact CB-O 3.26Å; H111-E120 PolarHBondContact CD2-O 2.9Å
121	G	89.3	Confident	91.6	Very high	13 Å²	13	53.7 Å²	53.7	13%	0.134	27%	0.265	C	S	.	.			trans	65.8	-166.1	-175	0	0	0	0	0	113.3	L112 G118 E119	L112-G121 CarbonylContact O-C 3.44Å; L112-G121 WeakPolarHBondContact O-CA 3.46Å; G118-G121 PolarHBondContact O-N 3.05Å; E119-G121 PolarHBondContact O-N 3.39Å
122	V	90.4	Very high	91.5	Very high	40 Å²	40	53.4 Å²	53.4	24%	0.242	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129	178.2	175	0	0	0	0	109.8	V73 H111 L112 T117 V124	V73-V122 HydrophobicContact CB-CB 4.49Å; V73-V122 HydrophobicContact CB-CG1 4.21Å; V73-V122 HydrophobicContact CG1-CB 4.03Å; V73-V122 HydrophobicContact CG1-CG1 3.74Å; H111-V122 CarbonylContact C-O 3.52Å; H111-V122 WeakPolarHBondContact CA-O 3.02Å; L112-V122 PolarHBondContact N-O 3.12Å; L112-V122 PolarHBondContact O-N 2.96Å; T117-V122 HydrophobicContact CG2-CB 4.36Å; T117-V122 HydrophobicContact CG2-CG2 3.52Å; V122-V124 PolarHBondContact O-N 3.27Å
123	F	92.9	Very high	91.1	Very high	74 Å²	74	55.1 Å²	55.1	33%	0.325	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	117.8	177.5	-172.8	-98.5	0	0	0	111.5	G109 H111 R125	G109-F123 VanDerWaalsContact C-CE2 3.45Å; G109-F123 WeakPolarHBondContact O-CE2 3.22Å; H111-F123 AromaticContact CE1-CD2 3.64Å; H111-F123 AromaticContact ND1-CD2 4Å; H111-F123 AromaticContact NE2-CD2 3.97Å; F123-R125 HydrophobicContact CD1-CG 3.64Å; F123-R125 HydrophobicContact CE1-CG 3.88Å; F123-R125 PolarHBondContact O-N 2.79Å
124	V	95	Very high	90.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.			trans	-86.9	113.8	-177.4	-179.2	0	0	0	0	110.4	A71 V73 F83 M107 I108 G109 H110 L112 V122 K126 V127	A71-V124 HydrophobicContact CB-CG1 4.28Å; A71-V124 HydrophobicContact CB-CG2 4.38Å; V73-V124 HydrophobicContact CG1-CG2 3.73Å; F83-V124 HydrophobicContact CE1-CB 4.21Å; F83-V124 HydrophobicContact CE1-CG2 3.64Å; F83-V124 HydrophobicContact CZ-CG2 4.31Å; M107-V124 WeakPolarHBondContact O-CB 3.33Å; I108-V124 WeakPolarHBondContact CA-O 3.32Å; G109-V124 PolarHBondContact N-O 3.14Å; H110-V124 PolarHBondContact O-N 3.17Å; L112-V124 HydrophobicContact CB-CG2 3.8Å; V122-V124 PolarHBondContact O-N 3.27Å; V124-K126 WeakPolarHBondContact CG1-O 3.37Å; V124-V127 HydrophobicContact CG1-CG2 4.31Å
125	R	94.9	Very high	90.7	Very high	108 Å²	108	58.9 Å²	58.9	41%	0.408	30%	0.296	S	S	.	.			trans	-96.2	-20.7	-179.2	-60.8	-178	-175.8	-75.6	-5.6	114.1	F123	F123-R125 HydrophobicContact CD1-CG 3.64Å; F123-R125 HydrophobicContact CE1-CG 3.88Å; F123-R125 PolarHBondContact O-N 2.79Å
126	K	95.8	Very high	90.8	Very high	19 Å²	19	54.3 Å²	54.3	8%	0.083	28%	0.28	C	S	.	.			trans	-152.7	154.3	-174.3	66.3	-165.4	168.8	-172.7	0	110.2	H27 H29 V47 V48 R49 Q72 V124	H27-K126 VanDerWaalsContact CD2-CE 3.43Å; H27-K126 WeakPolarHBondContact CD2-CE 3.45Å; H27-K126 PolarHBondContact CD2-NZ 3.42Å; H27-K126 WeakPolarHBondContact NE2-CE 3.27Å; H27-K126 PolarHBondContact NE2-NZ 2.71Å; H29-K126 PolarHBondContact CE1-NZ 3.48Å; V47-K126 HydrophobicContact CG1-CB 4.17Å; V47-K126 HydrophobicContact CG1-CD 4.24Å; V47-K126 HydrophobicContact CG1-CG 4.35Å; V48-K126 VanDerWaalsContact O-CA 3.27Å; V48-K126 WeakPolarHBondContact O-CA 3.28Å; V48-K126 WeakPolarHBondContact O-CB 3.36Å; R49-K126 HydrophobicContact CG-CB 4.09Å; Q72-K126 HydrophobicContact CB-CD 4.47Å; Q72-K126 HydrophobicContact CB-CG 3.67Å; Q72-K126 WeakPolarHBondContact CB-O 3.21Å; Q72-K126 HydrophobicContact CG-CG 4.06Å; Q72-K126 PolarHBondContact N-O 2.88Å; V124-K126 WeakPolarHBondContact CG1-O 3.37Å
127	V	97.1	Very high	91.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.5	178.9	169.5	0	0	0	0	107.5	V47 V48 V69 T104 M107 I108 V124 I129	V47-V127 WeakPolarHBondContact CA-O 3.29Å; V48-V127 HydrophobicContact CG2-CB 4.01Å; V48-V127 HydrophobicContact CG2-CG1 4.46Å; V48-V127 PolarHBondContact N-O 3.27Å; V48-V127 PolarHBondContact O-N 2.9Å; V69-V127 HydrophobicContact CG1-CG1 3.36Å; T104-V127 HydrophobicContact CG2-CB 4.44Å; T104-V127 HydrophobicContact CG2-CG2 4.48Å; M107-V127 HydrophobicContact CB-CG2 3.79Å; M107-V127 HydrophobicContact CG-CG2 4.48Å; M107-V127 HydrophobicContact SD-CG1 4.29Å; M107-V127 HydrophobicContact SD-CG2 3.86Å; I108-V127 HydrophobicContact CD1-CB 4.47Å; I108-V127 HydrophobicContact CD1-CG2 4.19Å; I108-V127 HydrophobicContact CG1-CG2 3.71Å; V124-V127 HydrophobicContact CG1-CG2 4.31Å; V127-I129 HydrophobicContact CG1-CG1 4.13Å
128	M	97.3	Very high	91.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.1	169.8	-175.6	-168.6	83.6	0	0	107.6	E28 H29 K32 Y45 V46 V47 K70 Q72	E28-M128 HydrophobicContact CG-CE 4.44Å; E28-M128 HydrophobicContact CG-SD 4.34Å; E28-M128 WeakPolarHBondContact OE1-CE 3.04Å; H29-M128 HydrophobicContact CB-CG 4.34Å; H29-M128 HydrophobicContact CB-SD 3.97Å; K32-M128 HydrophobicContact CD-SD 4.39Å; Y45-M128 HydrophobicContact CD2-CG 3.79Å; Y45-M128 HydrophobicContact CD2-SD 4.03Å; Y45-M128 HydrophobicContact CG-CG 3.98Å; Y45-M128 HydrophobicContact CG-SD 3.95Å; V46-M128 CarbonylContact O-C 3.57Å; V46-M128 WeakPolarHBondContact O-CA 3.35Å; V47-M128 HydrophobicContact CG2-CB 4.47Å; V47-M128 HydrophobicContact CG2-CG 4.34Å; K70-M128 HydrophobicContact CB-CE 4.34Å; K70-M128 HydrophobicContact CD-CE 3.62Å; K70-M128 HydrophobicContact CG-CE 4.16Å; K70-M128 PolarHBondContact N-O 3.22Å; K70-M128 PolarHBondContact O-N 3.29Å; Q72-M128 HydrophobicContact CG-CB 3.94Å
129	I	97.4	Very high	92.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.1	173.4	-49.8	171.5	0	0	0	107.1	Y45 V46 V48 V54 L58 L61 Y67 V68 V69 A100 V127	Y45-I129 CarbonylContact C-O 3.52Å; Y45-I129 WeakPolarHBondContact CA-O 3.2Å; Y45-I129 WeakPolarHBondContact CB-O 3.34Å; V46-I129 HydrophobicContact CG2-CB 4.1Å; V46-I129 PolarHBondContact N-O 2.97Å; V46-I129 PolarHBondContact O-N 3.48Å; V48-I129 HydrophobicContact CG1-CD1 4.39Å; V48-I129 HydrophobicContact CG2-CD1 3.96Å; V48-I129 HydrophobicContact CG2-CG1 4.33Å; V54-I129 HydrophobicContact CB-CD1 4.38Å; V54-I129 HydrophobicContact CG1-CD1 3.74Å; V54-I129 HydrophobicContact CG2-CD1 3.93Å; L58-I129 HydrophobicContact CD2-CB 4.16Å; L58-I129 HydrophobicContact CD2-CD1 4.35Å; L58-I129 HydrophobicContact CD2-CG2 3.65Å; L61-I129 WeakPolarHBondContact CD1-O 3.17Å; Y67-I129 HydrophobicContact CD1-CG2 4.46Å; Y67-I129 HydrophobicContact CG-CG2 4.3Å; V68-I129 CarbonylContact O-C 3.58Å; V68-I129 VanDerWaalsContact O-CA 3.31Å; V68-I129 WeakPolarHBondContact O-CA 3.47Å; V69-I129 HydrophobicContact CG1-CG1 4.43Å; V69-I129 HydrophobicContact CG2-CG1 4.45Å; V69-I129 HydrophobicContact CG2-CG2 4.29Å; A100-I129 HydrophobicContact CB-CD1 4.43Å; V127-I129 HydrophobicContact CG1-CG1 4.13Å
130	S	95.6	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	162	178.4	65.6	0	0	0	0	111.8	E43 R44 Y67 V68	E43-S130 WeakPolarHBondContact OE1-CB 3.49Å; E43-S130 PolarHBondContact OE1-OG 3.38Å; R44-S130 CarbonylContact O-C 3.51Å; R44-S130 VanDerWaalsContact O-CA 3.24Å; R44-S130 WeakPolarHBondContact O-CA 3.4Å; R44-S130 WeakPolarHBondContact O-CB 3.41Å; Y67-S130 CarbonylContact C-O 3.49Å; Y67-S130 WeakPolarHBondContact CA-O 3.38Å; V68-S130 PolarHBondContact N-O 3.12Å; V68-S130 PolarHBondContact O-N 3.29Å
131	E	93.9	Very high	93.7	Very high	31 Å²	31	37 Å²	37	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	145.4	162.8	71.2	-171.2	132.8	0	0	109.7	E43 R44 P62 V133	E43-E131 HydrophobicContact CB-CG 4.29Å; R44-E131 HydrophobicContact CB-CG 4.39Å; R44-E131 WeakPolarHBondContact CB-OE1 3.5Å; R44-E131 VanDerWaalsContact CG-OE1 3.3Å; R44-E131 WeakPolarHBondContact CG-OE1 3.34Å; R44-E131 IonicContact CZ-OE2 3.35Å; R44-E131 PolarHBondContact N-OE1 2.9Å; R44-E131 IonicContact NE-OE1 2.99Å; R44-E131 PolarHBondContact NE-OE1 3.46Å; R44-E131 VanDerWaalsContact NE-OE1 3.1Å; R44-E131 IonicContact NE-OE2 3.84Å; R44-E131 PolarHBondContact NE-OE2 2.88Å; R44-E131 VanDerWaalsContact NE-OE2 3.13Å; R44-E131 IonicContact NH2-OE2 3.82Å; R44-E131 PolarHBondContact NH2-OE2 3.01Å; R44-E131 PolarHBondContact O-N 3.42Å; P62-E131 HydrophobicContact CG-CB 3.69Å; P62-E131 VanDerWaalsContact CG-OE2 3.24Å; P62-E131 WeakPolarHBondContact CG-OE2 3.3Å; E131-V133 HydrophobicContact CG-CG2 3.8Å; E131-V133 PolarHBondContact O-N 3.38Å
132	K	92.4	Very high	94.2	Very high	69 Å²	69	36.4 Å²	36.4	30%	0.3	18%	0.175	S	C	.	.			trans	-81.7	114.1	168.6	-170.3	-162.7	177.6	-161.8	0	108.6	N65 G66 V68 D134	N65-K132 HydrophobicContact CB-CB 4.21Å; N65-K132 VanDerWaalsContact CB-O 3.28Å; N65-K132 WeakPolarHBondContact CB-O 3.38Å; N65-K132 WeakPolarHBondContact O-CB 3.38Å; N65-K132 WeakPolarHBondContact O-CD 3.49Å; G66-K132 WeakPolarHBondContact O-CB 3.48Å; G66-K132 PolarHBondContact O-N 3.24Å; V68-K132 HydrophobicContact CG2-CB 4.27Å; V68-K132 HydrophobicContact CG2-CG 4.27Å; K132-D134 IonicContact NZ-OD1 3.88Å
133	V	89.2	Confident	94.5	Very high	35 Å²	35	34.5 Å²	34.5	21%	0.212	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-95.4	122.4	175.7	-169.7	0	0	0	0	109	E43 E131 S135 I233 T235	E43-V133 HydrophobicContact CB-CG2 4.05Å; E131-V133 HydrophobicContact CG-CG2 3.8Å; E131-V133 PolarHBondContact O-N 3.38Å; V133-S135 PolarHBondContact O-N 2.6Å; V133-I233 HydrophobicContact CB-CD1 3.6Å; V133-I233 HydrophobicContact CG1-CD1 3.38Å; V133-I233 HydrophobicContact CG2-CD1 4.5Å; V133-T235 HydrophobicContact CG1-CG2 3.34Å
134	D	89.4	Confident	94.7	Very high	57 Å²	57	33.2 Å²	33.2	31%	0.305	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-78.4	116.2	176.3	-68.7	-37.1	0	0	0	109.7	N65 K132 T235 V236	N65-D134 PolarHBondContact ND2-OD2 2.94Å; K132-D134 IonicContact NZ-OD1 3.88Å; D134-T235 WeakPolarHBondContact O-CA 3.25Å; D134-V236 HydrophobicContact CB-CG1 4Å; D134-V236 HydrophobicContact CB-CG2 3.93Å; D134-V236 PolarHBondContact O-N 2.79Å; D134-V236 VanDerWaalsContact O-N 3.08Å
135	S	87.9	Confident	94.7	Very high	50 Å²	50	37.1 Å²	37.1	35%	0.35	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.9	-178.3	59.8	0	0	0	0	111.7	V133 H234	V133-S135 PolarHBondContact O-N 2.6Å; S135-H234 CarbonylContact C-O 3.57Å; S135-H234 WeakPolarHBondContact CA-O 3.47Å
136	L	89.9	Confident	94.8	Very high	103 Å²	103	32.9 Å²	32.9	54%	0.539	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-38.8	159.8	-68.2	173.9	0	0	0	110.9	H234 T235 V236	L136-H234 PolarHBondContact N-O 3.26Å; L136-T235 VanDerWaalsContact CD1-O 3.3Å; L136-T235 WeakPolarHBondContact CD1-O 3.43Å; L136-V236 HydrophobicContact CD2-CG1 3.87Å; L136-V236 HydrophobicContact CG-CB 4.49Å; L136-V236 HydrophobicContact CG-CG1 4.06Å
137	R	92.5	Very high	94.6	Very high	81 Å²	81	42.7 Å²	42.7	31%	0.306	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.1	-176.6	-60.5	-177.8	63.7	157	4.6	111.3	Q199 I233 H234	R137-Q199 PolarHBondContact NH1-O 2.99Å; R137-I233 WeakPolarHBondContact O-CA 3.28Å; R137-H234 HydrophobicContact CB-CB 4.19Å; R137-H234 PolarHBondContact N-O 3.03Å; R137-H234 PolarHBondContact O-N 3.08Å
138	E	95	Very high	94.5	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.9	171.4	-62.1	-171.4	147.1	0	0	109.2	G160 G161 P231 I233	E138-G160 PolarHBondContact O-N 2.89Å; E138-G161 WeakPolarHBondContact OE2-CA 3.37Å; E138-P231 HydrophobicContact CB-CB 3.77Å; E138-P231 HydrophobicContact CG-CB 4.01Å; E138-P231 HydrophobicContact CG-CG 4.33Å; E138-I233 HydrophobicContact CG-CG2 4.08Å
139	T	96.9	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	169.8	-179.5	65.6	0	0	0	0	110.2	S157 G160 M198 F200 P231 F232	T139-S157 WeakPolarHBondContact CA-O 3.37Å; T139-S157 WeakPolarHBondContact CB-O 3.26Å; T139-G160 VanDerWaalsContact C-CA 3.48Å; T139-M198 HydrophobicContact CG2-CE 4.13Å; T139-M198 WeakPolarHBondContact OG1-CE 3.42Å; T139-F200 HydrophobicContact CG2-CE2 4.04Å; T139-F200 HydrophobicContact CG2-CZ 4.17Å; T139-P231 WeakPolarHBondContact O-CA 3.06Å; T139-F232 PolarHBondContact N-O 3.5Å; T139-F232 PolarHBondContact O-N 3.23Å; T139-F232 WeakPolarHBondContact OG1-CD1 3.29Å; T139-F232 PolarHBondContact OG1-O 2.8Å
140	Y	97.5	Very high	94.2	Very high	12 Å²	12	59.2 Å²	59.2	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.8	-177.5	173.4	-91.7	0	0	0	110.5	A142 M155 V156 S157 V164 M175 E228 N230	Y140-A142 HydrophobicContact CE1-CB 3.75Å; Y140-A142 VanDerWaalsContact OH-CB 3.26Å; Y140-A142 WeakPolarHBondContact OH-CB 3.47Å; Y140-M155 HydrophobicContact CE1-CB 4.5Å; Y140-V156 VanDerWaalsContact O-CA 3.27Å; Y140-V156 WeakPolarHBondContact O-CA 3.22Å; Y140-S157 PolarHBondContact N-O 3.32Å; Y140-S157 PolarHBondContact O-N 3.34Å; Y140-V164 HydrophobicContact CD1-CG2 4.14Å; Y140-V164 HydrophobicContact CD2-CB 4.33Å; Y140-V164 HydrophobicContact CD2-CG2 4.42Å; Y140-V164 HydrophobicContact CE1-CB 4.43Å; Y140-V164 HydrophobicContact CE1-CG2 3.67Å; Y140-V164 HydrophobicContact CE2-CB 3.81Å; Y140-V164 HydrophobicContact CE2-CG1 4.19Å; Y140-V164 HydrophobicContact CE2-CG2 3.98Å; Y140-V164 HydrophobicContact CG-CG2 4.49Å; Y140-M175 HydrophobicContact CD1-CE 4.17Å; Y140-M175 HydrophobicContact CE1-CE 4.39Å; Y140-E228 HydrophobicContact CE2-CG 3.84Å; Y140-N230 HydrophobicContact CD2-CB 3.82Å; Y140-N230 HydrophobicContact CE2-CB 4.16Å
141	I	98.2	Very high	94.2	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.2	172.4	-57.4	170.4	0	0	0	108.8	M155 V156 M198 L212 L215 I229 F232	I141-M155 CarbonylContact C-O 3.55Å; I141-M155 WeakPolarHBondContact CA-O 3.37Å; I141-V156 HydrophobicContact CG1-CG1 4.34Å; I141-V156 HydrophobicContact CG2-CG1 4.5Å; I141-M198 HydrophobicContact CD1-CE 3.94Å; I141-M198 HydrophobicContact CD1-SD 4.41Å; I141-M198 HydrophobicContact CG1-CE 3.51Å; I141-M198 HydrophobicContact CG1-SD 4.08Å; I141-L212 HydrophobicContact CD1-CD2 3.82Å; I141-L212 HydrophobicContact CG1-CD2 4.26Å; I141-L212 HydrophobicContact CG2-CD2 3.83Å; I141-L215 HydrophobicContact CD1-CD1 4.16Å; I141-L215 HydrophobicContact CG2-CD1 4.17Å; I141-I229 HydrophobicContact CB-CB 4.31Å; I141-I229 PolarHBondContact N-O 2.69Å; I141-I229 VanDerWaalsContact N-O 3.12Å; I141-I229 PolarHBondContact O-N 3.33Å; I141-F232 HydrophobicContact CD1-CB 3.87Å; I141-F232 HydrophobicContact CD1-CD1 3.56Å; I141-F232 HydrophobicContact CD1-CD2 4Å; I141-F232 HydrophobicContact CD1-CE1 3.99Å; I141-F232 HydrophobicContact CD1-CE2 4.39Å; I141-F232 HydrophobicContact CD1-CG 3.54Å; I141-F232 HydrophobicContact CD1-CZ 4.36Å; I141-F232 HydrophobicContact CG1-CB 4.22Å; I141-F232 HydrophobicContact CG1-CD1 4.42Å; I141-F232 HydrophobicContact CG1-CG 4.39Å
142	A	98	Very high	94.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.3	164.7	0	0	0	0	0	112.2	Y140 I154 M155 I227	Y140-A142 HydrophobicContact CE1-CB 3.75Å; Y140-A142 VanDerWaalsContact OH-CB 3.26Å; Y140-A142 WeakPolarHBondContact OH-CB 3.47Å; A142-I154 CarbonylContact O-C 3.49Å; A142-I154 WeakPolarHBondContact O-CA 3.43Å; A142-M155 PolarHBondContact N-O 3.32Å; A142-M155 PolarHBondContact O-N 3.21Å; A142-I227 CarbonylContact C-O 3.39Å; A142-I227 WeakPolarHBondContact CA-O 3.45Å
143	I	98.3	Very high	94.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.8	172.8	-48.2	-175.6	0	0	0	107.7	M153 I154 L215 F219 Q226 I227	I143-M153 CarbonylContact C-O 3.54Å; I143-M153 WeakPolarHBondContact CA-O 3.36Å; I143-I154 HydrophobicContact CD1-CD1 4.38Å; I143-I154 HydrophobicContact CD1-CG1 4.44Å; I143-I154 HydrophobicContact CG1-CG1 4.12Å; I143-I154 HydrophobicContact CG1-CG2 4.42Å; I143-I154 HydrophobicContact CG2-CG1 4.24Å; I143-L215 HydrophobicContact CD1-CB 3.84Å; I143-F219 HydrophobicContact CB-CB 4.47Å; I143-F219 HydrophobicContact CB-CD2 3.92Å; I143-F219 HydrophobicContact CB-CE2 4.37Å; I143-F219 HydrophobicContact CB-CG 4.23Å; I143-F219 HydrophobicContact CD1-CB 4.42Å; I143-F219 HydrophobicContact CG2-CB 4.03Å; I143-F219 HydrophobicContact CG2-CD1 3.83Å; I143-F219 HydrophobicContact CG2-CD2 3.55Å; I143-F219 HydrophobicContact CG2-CE1 4.13Å; I143-F219 HydrophobicContact CG2-CE2 3.85Å; I143-F219 HydrophobicContact CG2-CG 3.54Å; I143-F219 HydrophobicContact CG2-CZ 4.12Å; I143-Q226 CarbonylContact O-C 3.58Å; I143-Q226 VanDerWaalsContact O-CA 3.27Å; I143-Q226 WeakPolarHBondContact O-CA 3.11Å; I143-I227 HydrophobicContact CB-CB 4.37Å; I143-I227 PolarHBondContact N-O 2.78Å; I143-I227 PolarHBondContact O-N 3.46Å
144	L	96.9	Very high	95	Very high	47 Å²	47	55 Å²	55	25%	0.246	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.6	-172	-61.3	164.8	0	0	0	110.2	P152 M153 M155 Q226	L144-P152 CarbonylContact O-C 3.55Å; L144-P152 WeakPolarHBondContact O-CA 3.46Å; L144-M153 PolarHBondContact N-O 3.36Å; L144-M153 PolarHBondContact O-N 3.02Å; L144-M155 HydrophobicContact CD1-SD 3.91Å; L144-Q226 HydrophobicContact CD2-CB 3.64Å; L144-Q226 HydrophobicContact CD2-CG 3.45Å; L144-Q226 VanDerWaalsContact CD2-CG 3.45Å
145	L	95.5	Very high	95.4	Very high	81 Å²	81	53.8 Å²	53.8	42%	0.424	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.9	165.4	-65.2	175.9	0	0	0	110.1	R147 P152 F219	L145-R147 PolarHBondContact O-N 2.86Å; L145-P152 HydrophobicContact CD2-CG 4.47Å; L145-F219 HydrophobicContact CD2-CE1 3.94Å; L145-F219 HydrophobicContact CD2-CZ 3.65Å; L145-F219 HydrophobicContact CG-CZ 3.84Å
146	D	95.2	Very high	95.9	Very high	19 Å²	19	51.4 Å²	51.4	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	108.4	171.6	-177.6	-13.1	0	0	0	109.1	E148 H149 S150 C151 M153 R179	D146-E148 VanDerWaalsContact C-N 3.31Å; D146-E148 PolarHBondContact O-N 2.91Å; D146-E148 WeakPolarHBondContact OD1-CA 3.28Å; D146-E148 WeakPolarHBondContact OD1-CB 3.43Å; D146-E148 PolarHBondContact OD1-N 2.74Å; D146-H149 HydrophobicContact CB-CB 4.49Å; D146-H149 PolarHBondContact OD1-N 2.83Å; D146-H149 VanDerWaalsContact OD1-N 3.15Å; D146-H149 IonicContact OD1-ND1 3.46Å; D146-H149 PolarHBondContact OD1-ND1 2.9Å; D146-H149 WeakPolarHBondContact OD2-CB 3.43Å; D146-H149 IonicContact OD2-CE1 3.1Å; D146-H149 IonicContact OD2-CG 2.92Å; D146-H149 IonicContact OD2-ND1 2.94Å; D146-H149 PolarHBondContact OD2-ND1 2.77Å; D146-S150 VanDerWaalsContact O-CA 3.28Å; D146-S150 WeakPolarHBondContact O-CA 3.21Å; D146-S150 PolarHBondContact O-N 2.95Å; D146-C151 WeakPolarHBondContact CB-O 3.44Å; D146-C151 PolarHBondContact N-O 3.36Å; D146-C151 PolarHBondContact O-N 3.38Å; D146-M153 HydrophobicContact CB-CB 3.98Å; D146-M153 HydrophobicContact CB-CE 3.72Å; D146-M153 HydrophobicContact CB-SD 4.46Å; D146-M153 VanDerWaalsContact CG-CE 3.47Å; D146-M153 WeakPolarHBondContact OD2-CE 3.21Å; D146-R179 IonicContact OD2-CZ 2.97Å; D146-R179 IonicContact OD2-NE 3.27Å; D146-R179 PolarHBondContact OD2-NE 3.3Å; D146-R179 IonicContact OD2-NH2 3.53Å
147	R	93.1	Very high	96.2	Very high	225 Å²	225	46.5 Å²	46.5	85%	0.849	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.8	-179.4	-69.1	-174.8	65.2	-170	-2	113.2	L145	L145-R147 PolarHBondContact O-N 2.86Å
148	E	93.9	Very high	96.4	Very high	159 Å²	159	43.3 Å²	43.3	74%	0.743	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-40.5	-179.6	-173.6	-179.9	-174.8	0	0	110.2	D146	D146-E148 VanDerWaalsContact C-N 3.31Å; D146-E148 PolarHBondContact O-N 2.91Å; D146-E148 WeakPolarHBondContact OD1-CA 3.28Å; D146-E148 WeakPolarHBondContact OD1-CB 3.43Å; D146-E148 PolarHBondContact OD1-N 2.74Å
149	H	94	Very high	96.3	Very high	78 Å²	78	40.6 Å²	40.6	36%	0.361	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-3.2	-176.4	-58.9	77	0	0	0	113.8	D146 C151 R179	D146-H149 HydrophobicContact CB-CB 4.49Å; D146-H149 PolarHBondContact OD1-N 2.83Å; D146-H149 VanDerWaalsContact OD1-N 3.15Å; D146-H149 IonicContact OD1-ND1 3.46Å; D146-H149 PolarHBondContact OD1-ND1 2.9Å; D146-H149 WeakPolarHBondContact OD2-CB 3.43Å; D146-H149 IonicContact OD2-CE1 3.1Å; D146-H149 IonicContact OD2-CG 2.92Å; D146-H149 IonicContact OD2-ND1 2.94Å; D146-H149 PolarHBondContact OD2-ND1 2.77Å; H149-C151 VanDerWaalsContact C-N 3.29Å; H149-C151 PolarHBondContact O-N 3.01Å; H149-R179 PolarHBondContact CE1-NH2 3.49Å; H149-R179 VanDerWaalsContact CG-NE 3.27Å; H149-R179 VanDerWaalsContact ND1-CZ 3.3Å; H149-R179 PolarHBondContact ND1-NE 2.9Å; H149-R179 PolarHBondContact ND1-NH2 2.86Å; H149-R179 PolarHBondContact NE2-NH1 3.35Å; H149-R179 PolarHBondContact NE2-NH2 3.17Å
150	S	94.4	Very high	96.1	Very high	110 Å²	110	41 Å²	41	77%	0.769	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	38.5	178.1	-57.3	0	0	0	0	113.8	D146	D146-S150 VanDerWaalsContact O-CA 3.28Å; D146-S150 WeakPolarHBondContact O-CA 3.21Å; D146-S150 PolarHBondContact O-N 2.95Å
151	C	95.6	Very high	95.6	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.135	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.4	-179.2	68.5	0	0	0	0	111.6	D146 H149	D146-C151 WeakPolarHBondContact CB-O 3.44Å; D146-C151 PolarHBondContact N-O 3.36Å; D146-C151 PolarHBondContact O-N 3.38Å; H149-C151 VanDerWaalsContact C-N 3.29Å; H149-C151 PolarHBondContact O-N 3.01Å
152	P	97.7	Very high	94.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	145.3	162.7	-22.3	33.7	0	0	0	111.3	L144 L145 V180 I182 Y216 F219 I220	L144-P152 CarbonylContact O-C 3.55Å; L144-P152 WeakPolarHBondContact O-CA 3.46Å; L145-P152 HydrophobicContact CD2-CG 4.47Å; P152-V180 HydrophobicContact CB-CB 4.43Å; P152-V180 WeakPolarHBondContact CD-O 3.22Å; P152-V180 PolarHBondContact O-N 2.79Å; P152-I182 HydrophobicContact CG-CB 4.5Å; P152-I182 HydrophobicContact CG-CD1 4.48Å; P152-I182 HydrophobicContact CG-CG1 4.39Å; P152-Y216 HydrophobicContact CB-CE2 3.82Å; P152-Y216 HydrophobicContact CG-CE2 4.22Å; P152-F219 HydrophobicContact CB-CE1 3.94Å; P152-F219 HydrophobicContact CG-CE1 4.11Å; P152-I220 HydrophobicContact CG-CD1 4.07Å
153	M	97.7	Very high	94.3	Very high	27 Å²	27	50 Å²	50	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.9	177.3	172.7	-170.4	-79.5	0	0	108.7	I143 L144 D146 M155 T177 E178 R179	I143-M153 CarbonylContact C-O 3.54Å; I143-M153 WeakPolarHBondContact CA-O 3.36Å; L144-M153 PolarHBondContact N-O 3.36Å; L144-M153 PolarHBondContact O-N 3.02Å; D146-M153 HydrophobicContact CB-CB 3.98Å; D146-M153 HydrophobicContact CB-CE 3.72Å; D146-M153 HydrophobicContact CB-SD 4.46Å; D146-M153 VanDerWaalsContact CG-CE 3.47Å; D146-M153 WeakPolarHBondContact OD2-CE 3.21Å; M153-M155 HydrophobicContact CG-CG 4.31Å; M153-M155 HydrophobicContact SD-CG 4.16Å; M153-M155 HydrophobicContact SD-SD 4.36Å; M153-T177 HydrophobicContact CE-CG2 3.6Å; M153-T177 HydrophobicContact CG-CG2 3.4Å; M153-T177 HydrophobicContact SD-CG2 3.37Å; M153-T177 WeakPolarHBondContact SD-CG2 3.46Å; M153-E178 CarbonylContact C-O 3.53Å; M153-E178 WeakPolarHBondContact CA-O 3.4Å; M153-R179 HydrophobicContact CE-CG 4.18Å
154	I	98.2	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.2	173.3	-54.3	-175.1	0	0	0	108.2	A142 I143 V156 T177 E178 V180 L186 L194 L212 Y216	A142-I154 CarbonylContact O-C 3.49Å; A142-I154 WeakPolarHBondContact O-CA 3.43Å; I143-I154 HydrophobicContact CD1-CD1 4.38Å; I143-I154 HydrophobicContact CD1-CG1 4.44Å; I143-I154 HydrophobicContact CG1-CG1 4.12Å; I143-I154 HydrophobicContact CG1-CG2 4.42Å; I143-I154 HydrophobicContact CG2-CG1 4.24Å; I154-V156 HydrophobicContact CG2-CG1 4Å; I154-T177 CarbonylContact O-C 3.57Å; I154-T177 WeakPolarHBondContact O-CA 3.35Å; I154-E178 PolarHBondContact N-O 2.87Å; I154-E178 PolarHBondContact O-N 3.44Å; I154-V180 HydrophobicContact CD1-CG2 3.99Å; I154-V180 HydrophobicContact CG1-CG2 3.98Å; I154-L186 HydrophobicContact CD1-CD1 3.79Å; I154-L186 HydrophobicContact CD1-CD2 3.57Å; I154-L186 HydrophobicContact CD1-CG 4.15Å; I154-L194 HydrophobicContact CB-CD1 4.23Å; I154-L194 HydrophobicContact CD1-CD1 4.39Å; I154-L194 HydrophobicContact CG2-CD1 3.98Å; I154-L212 HydrophobicContact CG2-CD2 4.5Å; I154-Y216 HydrophobicContact CD1-CD2 4.18Å
155	M	97.4	Very high	93.2	Very high	31 Å²	31	54.2 Å²	54.2	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.6	173.3	-65.5	176.8	64.7	0	0	109.1	Y140 I141 A142 L144 M153 M175 F176 T177	Y140-M155 HydrophobicContact CE1-CB 4.5Å; I141-M155 CarbonylContact C-O 3.55Å; I141-M155 WeakPolarHBondContact CA-O 3.37Å; A142-M155 PolarHBondContact N-O 3.32Å; A142-M155 PolarHBondContact O-N 3.21Å; L144-M155 HydrophobicContact CD1-SD 3.91Å; M153-M155 HydrophobicContact CG-CG 4.31Å; M153-M155 HydrophobicContact SD-CG 4.16Å; M153-M155 HydrophobicContact SD-SD 4.36Å; M155-M175 HydrophobicContact CB-SD 4.09Å; M155-M175 HydrophobicContact CE-CG 3.78Å; M155-M175 HydrophobicContact CE-SD 3.71Å; M155-F176 CarbonylContact C-O 3.58Å; M155-F176 VanDerWaalsContact CA-O 3.3Å; M155-F176 WeakPolarHBondContact CA-O 3.22Å; M155-T177 HydrophobicContact CG-CG2 4.24Å
156	V	97.8	Very high	92.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.2	177.1	-56.5	0	0	0	0	111.5	Y140 I141 I154 F176 L194 M198 L212	Y140-V156 VanDerWaalsContact O-CA 3.27Å; Y140-V156 WeakPolarHBondContact O-CA 3.22Å; I141-V156 HydrophobicContact CG1-CG1 4.34Å; I141-V156 HydrophobicContact CG2-CG1 4.5Å; I154-V156 HydrophobicContact CG2-CG1 4Å; V156-F176 HydrophobicContact CG2-CB 3.85Å; V156-F176 PolarHBondContact N-O 2.77Å; V156-F176 PolarHBondContact O-N 3.19Å; V156-L194 HydrophobicContact CG1-CD2 4.09Å; V156-L194 HydrophobicContact CG2-CB 4.46Å; V156-L194 HydrophobicContact CG2-CD2 3.6Å; V156-M198 HydrophobicContact CB-CE 4.46Å; V156-M198 HydrophobicContact CB-CG 3.55Å; V156-M198 HydrophobicContact CB-SD 3.64Å; V156-M198 HydrophobicContact CG1-CG 4.29Å; V156-M198 HydrophobicContact CG1-SD 3.75Å; V156-M198 HydrophobicContact CG2-CG 3.65Å; V156-M198 HydrophobicContact CG2-SD 4.21Å; V156-L212 HydrophobicContact CG1-CD2 4.42Å
157	S	97.2	Very high	92.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140.4	174.2	158.3	0	0	0	0	111.1	T139 Y140 A159 L174	T139-S157 WeakPolarHBondContact CA-O 3.37Å; T139-S157 WeakPolarHBondContact CB-O 3.26Å; Y140-S157 PolarHBondContact N-O 3.32Å; Y140-S157 PolarHBondContact O-N 3.34Å; S157-A159 PolarHBondContact O-N 3.25Å; S157-A159 PolarHBondContact OG-N 3.44Å; S157-A159 PolarHBondContact OG-O 3.49Å; S157-L174 WeakPolarHBondContact CA-O 3.2Å; S157-L174 VanDerWaalsContact CB-O 3.27Å; S157-L174 WeakPolarHBondContact CB-O 3.42Å; S157-L174 PolarHBondContact OG-O 3.32Å
158	P	96.2	Very high	92.2	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.091	26%	0.257	C	S	.	.	S	Bend	trans	-70.7	-8.2	171.3	32.5	-35.4	0	0	0	112.8	L174 M198 Q199	P158-L174 WeakPolarHBondContact CD-O 3.33Å; P158-L174 HydrophobicContact CG-CB 4.45Å; P158-L174 HydrophobicContact CG-CD2 4.11Å; P158-M198 WeakPolarHBondContact CB-O 3.36Å; P158-Q199 HydrophobicContact CB-CB 4.38Å; P158-Q199 HydrophobicContact CB-CG 3.99Å; P158-Q199 HydrophobicContact CG-CG 4.43Å
159	A	93.3	Very high	92	Very high	26 Å²	26	45.7 Å²	45.7	22%	0.215	26%	0.257	C	S	.	.			trans	-104.9	102.7	172.5	0	0	0	0	0	109.8	S157 I162 T167 L174	S157-A159 PolarHBondContact O-N 3.25Å; S157-A159 PolarHBondContact OG-N 3.44Å; S157-A159 PolarHBondContact OG-O 3.49Å; A159-I162 HydrophobicContact CB-CD1 4.36Å; A159-T167 HydrophobicContact CB-CG2 4.5Å; A159-L174 HydrophobicContact CB-CD1 4.1Å
160	G	91.6	Very high	92	Very high	10 Å²	10	48.2 Å²	48.2	10%	0.103	27%	0.267	C	S	.	.			trans	-110	-178.7	170.7	0	0	0	0	0	112.6	E138 T139 I162	E138-G160 PolarHBondContact O-N 2.89Å; T139-G160 VanDerWaalsContact C-CA 3.48Å; G160-I162 PolarHBondContact O-N 2.6Å
161	G	86.7	Confident	91.9	Very high	41 Å²	41	47.1 Å²	47.1	42%	0.423	25%	0.249	S	C	.	.	S	Bend	trans	76.8	-2.9	179.3	0	0	0	0	0	114.5	E138 N230	E138-G161 WeakPolarHBondContact OE2-CA 3.37Å; G161-N230 PolarHBondContact N-OD1 3.03Å
162	I	84.3	Confident	91.8	Very high	80 Å²	80	50 Å²	50	41%	0.41	27%	0.268	S	S	.	.	S	Bend	trans	-119.9	166.5	-179.6	61.1	173.9	0	0	0	111.2	A159 G160 V164 T167 N230	A159-I162 HydrophobicContact CB-CD1 4.36Å; G160-I162 PolarHBondContact O-N 2.6Å; I162-V164 PolarHBondContact O-N 2.84Å; I162-T167 WeakPolarHBondContact CD1-OG1 3.32Å; I162-T167 WeakPolarHBondContact CG1-OG1 3.36Å; I162-N230 PolarHBondContact O-ND2 3.27Å
163	D	85.1	Confident	91.7	Very high	82 Å²	82	56.1 Å²	56.1	44%	0.439	30%	0.296	S	S	.	.			trans	-61	125	174.1	-176.2	-54.5	0	0	0	109.5	E165 E166 T167	D163-E165 VanDerWaalsContact C-N 3.34Å; D163-E165 WeakPolarHBondContact OD1-CA 3.33Å; D163-E165 VanDerWaalsContact OD1-CB 3.27Å; D163-E165 WeakPolarHBondContact OD1-CB 3.45Å; D163-E165 PolarHBondContact OD1-N 3.38Å; D163-E166 HydrophobicContact CB-CB 4.03Å; D163-E166 PolarHBondContact O-N 2.8Å; D163-E166 PolarHBondContact OD1-N 2.84Å; D163-T167 PolarHBondContact O-N 2.82Å; D163-T167 VanDerWaalsContact O-N 3.13Å; D163-T167 PolarHBondContact O-OG1 2.87Å; D163-T167 VanDerWaalsContact O-OG1 3.12Å
164	V	85.8	Confident	91.6	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-34.5	-174.2	64.5	0	0	0	0	110.6	Y140 I162 E166 T167 V168 M175	Y140-V164 HydrophobicContact CD1-CG2 4.14Å; Y140-V164 HydrophobicContact CD2-CB 4.33Å; Y140-V164 HydrophobicContact CD2-CG2 4.42Å; Y140-V164 HydrophobicContact CE1-CB 4.43Å; Y140-V164 HydrophobicContact CE1-CG2 3.67Å; Y140-V164 HydrophobicContact CE2-CB 3.81Å; Y140-V164 HydrophobicContact CE2-CG1 4.19Å; Y140-V164 HydrophobicContact CE2-CG2 3.98Å; Y140-V164 HydrophobicContact CG-CG2 4.49Å; I162-V164 PolarHBondContact O-N 2.84Å; V164-E166 VanDerWaalsContact C-N 3.29Å; V164-E166 PolarHBondContact O-N 3.39Å; V164-T167 WeakPolarHBondContact O-CB 3.4Å; V164-T167 PolarHBondContact O-N 2.88Å; V164-T167 VanDerWaalsContact O-N 3.09Å; V164-V168 HydrophobicContact CG2-CG2 4.36Å; V164-V168 WeakPolarHBondContact O-CG2 3.32Å; V164-V168 PolarHBondContact O-N 2.79Å; V164-M175 HydrophobicContact CG2-CE 3.53Å
165	E	85.4	Confident	91.5	Very high	118 Å²	118	58 Å²	58	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-62.1	-40.4	175.3	-61.5	87.7	156.8	0	0	110.4	D163 T167 V168 H169	D163-E165 VanDerWaalsContact C-N 3.34Å; D163-E165 WeakPolarHBondContact OD1-CA 3.33Å; D163-E165 VanDerWaalsContact OD1-CB 3.27Å; D163-E165 WeakPolarHBondContact OD1-CB 3.45Å; D163-E165 PolarHBondContact OD1-N 3.38Å; E165-T167 VanDerWaalsContact C-N 3.35Å; E165-T167 PolarHBondContact O-N 2.88Å; E165-V168 PolarHBondContact O-N 2.82Å; E165-H169 WeakPolarHBondContact O-CB 3.3Å; E165-H169 PolarHBondContact O-CD2 2.92Å; E165-H169 PolarHBondContact O-N 3.01Å
166	E	87.1	Confident	91.5	Very high	81 Å²	81	59.3 Å²	59.3	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-41.7	171.6	-175.4	171.4	-178.1	0	0	112.2	D163 V164 H169 K170	D163-E166 HydrophobicContact CB-CB 4.03Å; D163-E166 PolarHBondContact O-N 2.8Å; D163-E166 PolarHBondContact OD1-N 2.84Å; V164-E166 VanDerWaalsContact C-N 3.29Å; V164-E166 PolarHBondContact O-N 3.39Å; E166-H169 PolarHBondContact O-N 3.12Å; E166-K170 HydrophobicContact CG-CD 3.79Å; E166-K170 HydrophobicContact CG-CG 4.34Å; E166-K170 WeakPolarHBondContact O-CB 3.39Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-K170 WeakPolarHBondContact OE1-CE 3.33Å; E166-K170 IonicContact OE1-NZ 2.71Å; E166-K170 PolarHBondContact OE1-NZ 2.7Å
167	T	87.8	Confident	91.4	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-46	177.8	-55	0	0	0	0	111.4	A159 I162 D163 V164 E165 H169 H171 L174 M175	A159-T167 HydrophobicContact CB-CG2 4.5Å; I162-T167 WeakPolarHBondContact CD1-OG1 3.32Å; I162-T167 WeakPolarHBondContact CG1-OG1 3.36Å; D163-T167 PolarHBondContact O-N 2.82Å; D163-T167 VanDerWaalsContact O-N 3.13Å; D163-T167 PolarHBondContact O-OG1 2.87Å; D163-T167 VanDerWaalsContact O-OG1 3.12Å; V164-T167 WeakPolarHBondContact O-CB 3.4Å; V164-T167 PolarHBondContact O-N 2.88Å; V164-T167 VanDerWaalsContact O-N 3.09Å; E165-T167 VanDerWaalsContact C-N 3.35Å; E165-T167 PolarHBondContact O-N 2.88Å; T167-H169 VanDerWaalsContact C-N 3.32Å; T167-H169 PolarHBondContact O-N 2.8Å; T167-H171 CarbonylContact O-C 3.53Å; T167-H171 VanDerWaalsContact O-CA 3.25Å; T167-H171 WeakPolarHBondContact O-CA 3.47Å; T167-H171 PolarHBondContact O-N 2.88Å; T167-L174 HydrophobicContact CG2-CB 4.47Å; T167-M175 HydrophobicContact CG2-CE 4.46Å
168	V	89.1	Confident	91.4	Very high	61 Å²	61	64.4 Å²	64.4	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-39.4	178	171.8	0	0	0	0	111.1	V164 E165 P172 M175	V164-V168 HydrophobicContact CG2-CG2 4.36Å; V164-V168 WeakPolarHBondContact O-CG2 3.32Å; V164-V168 PolarHBondContact O-N 2.79Å; E165-V168 PolarHBondContact O-N 2.82Å; V168-P172 WeakPolarHBondContact O-CB 3.27Å; V168-M175 HydrophobicContact CG2-CB 4.44Å; V168-M175 HydrophobicContact CG2-CE 4.1Å; V168-M175 HydrophobicContact CG2-CG 4.15Å
169	H	90	Very high	91.5	Very high	159 Å²	159	70 Å²	70	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-74.4	-44.8	179.5	-81.5	-63.7	0	0	0	113.7	E165 E166 T167	E165-H169 WeakPolarHBondContact O-CB 3.3Å; E165-H169 PolarHBondContact O-CD2 2.92Å; E165-H169 PolarHBondContact O-N 3.01Å; E166-H169 PolarHBondContact O-N 3.12Å; T167-H169 VanDerWaalsContact C-N 3.32Å; T167-H169 PolarHBondContact O-N 2.8Å
170	K	93.6	Very high	91.7	Very high	131 Å²	131	69.1 Å²	69.1	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-90.7	-32.9	-173.6	-66.8	-175.8	-179.2	177.6	0	113.4	E166	E166-K170 HydrophobicContact CG-CD 3.79Å; E166-K170 HydrophobicContact CG-CG 4.34Å; E166-K170 WeakPolarHBondContact O-CB 3.39Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-K170 WeakPolarHBondContact OE1-CE 3.33Å; E166-K170 IonicContact OE1-NZ 2.71Å; E166-K170 PolarHBondContact OE1-NZ 2.7Å
171	H	92.5	Very high	91.9	Very high	87 Å²	87	72.1 Å²	72.1	40%	0.403	36%	0.364	S	S	.	.			trans	-136.6	56.7	-173.3	-55.6	-60.5	0	0	0	111.7	T167 H173 L174	T167-H171 CarbonylContact O-C 3.53Å; T167-H171 VanDerWaalsContact O-CA 3.25Å; T167-H171 WeakPolarHBondContact O-CA 3.47Å; T167-H171 PolarHBondContact O-N 2.88Å; H171-H173 PolarHBondContact O-N 2.96Å; H171-L174 HydrophobicContact CB-CB 4.49Å; H171-L174 HydrophobicContact CB-CD1 3.75Å; H171-L174 HydrophobicContact CB-CG 4.03Å; H171-L174 WeakPolarHBondContact O-CB 3.19Å; H171-L174 PolarHBondContact O-N 3.29Å
172	P	93.7	Very high	92.3	Very high	80 Å²	80	75.1 Å²	75.1	52%	0.519	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27	-176.1	21.9	-33.5	0	0	0	113.7	V168 L174 M175	V168-P172 WeakPolarHBondContact O-CB 3.27Å; P172-L174 PolarHBondContact O-N 3.23Å; P172-M175 PolarHBondContact O-N 2.95Å; P172-M175 VanDerWaalsContact O-N 3.08Å
173	H	94.8	Very high	92.8	Very high	130 Å²	130	79.4 Å²	79.4	60%	0.602	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-68.2	-13	177.2	65.6	-82.3	0	0	0	114.3	H171	H171-H173 PolarHBondContact O-N 2.96Å
174	L	95.5	Very high	93.3	Very high	39 Å²	39	82.3 Å²	82.3	20%	0.204	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-89.4	-9	172.7	-59.7	-178.9	0	0	0	112.2	S157 P158 A159 T167 H171 P172 F176	S157-L174 WeakPolarHBondContact CA-O 3.2Å; S157-L174 VanDerWaalsContact CB-O 3.27Å; S157-L174 WeakPolarHBondContact CB-O 3.42Å; S157-L174 PolarHBondContact OG-O 3.32Å; P158-L174 WeakPolarHBondContact CD-O 3.33Å; P158-L174 HydrophobicContact CG-CB 4.45Å; P158-L174 HydrophobicContact CG-CD2 4.11Å; A159-L174 HydrophobicContact CB-CD1 4.1Å; T167-L174 HydrophobicContact CG2-CB 4.47Å; H171-L174 HydrophobicContact CB-CB 4.49Å; H171-L174 HydrophobicContact CB-CD1 3.75Å; H171-L174 HydrophobicContact CB-CG 4.03Å; H171-L174 WeakPolarHBondContact O-CB 3.19Å; H171-L174 PolarHBondContact O-N 3.29Å; P172-L174 PolarHBondContact O-N 3.23Å; L174-F176 WeakPolarHBondContact O-CD2 3.27Å; L174-F176 WeakPolarHBondContact O-CE2 3.44Å
175	M	95.9	Very high	93.9	Very high	28 Å²	28	82.4 Å²	82.4	14%	0.138	40%	0.404	C	S	.	.			trans	-96.1	119.2	179.3	-169.7	55.1	59.1	0	0	110.5	Y140 M155 V164 T167 V168 P172	Y140-M175 HydrophobicContact CD1-CE 4.17Å; Y140-M175 HydrophobicContact CE1-CE 4.39Å; M155-M175 HydrophobicContact CB-SD 4.09Å; M155-M175 HydrophobicContact CE-CG 3.78Å; M155-M175 HydrophobicContact CE-SD 3.71Å; V164-M175 HydrophobicContact CG2-CE 3.53Å; T167-M175 HydrophobicContact CG2-CE 4.46Å; V168-M175 HydrophobicContact CG2-CB 4.44Å; V168-M175 HydrophobicContact CG2-CE 4.1Å; V168-M175 HydrophobicContact CG2-CG 4.15Å; P172-M175 PolarHBondContact O-N 2.95Å; P172-M175 VanDerWaalsContact O-N 3.08Å
176	F	97.2	Very high	94.5	Very high	59 Å²	59	77.3 Å²	77.3	26%	0.259	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.7	178.2	-57	-83.9	0	0	0	109.8	M155 V156 L174 K197	M155-F176 CarbonylContact C-O 3.58Å; M155-F176 VanDerWaalsContact CA-O 3.3Å; M155-F176 WeakPolarHBondContact CA-O 3.22Å; V156-F176 HydrophobicContact CG2-CB 3.85Å; V156-F176 PolarHBondContact N-O 2.77Å; V156-F176 PolarHBondContact O-N 3.19Å; L174-F176 WeakPolarHBondContact O-CD2 3.27Å; L174-F176 WeakPolarHBondContact O-CE2 3.44Å; F176-K197 HydrophobicContact CB-CB 4.22Å; F176-K197 HydrophobicContact CB-CD 3.9Å; F176-K197 HydrophobicContact CD1-CB 4.04Å; F176-K197 HydrophobicContact CD1-CD 3.72Å; F176-K197 HydrophobicContact CD1-CG 3.9Å; F176-K197 HydrophobicContact CD2-CB 3.8Å; F176-K197 HydrophobicContact CE1-CB 4.36Å; F176-K197 HydrophobicContact CE1-CD 4.47Å; F176-K197 HydrophobicContact CE1-CG 4.21Å; F176-K197 HydrophobicContact CE2-CB 4.13Å; F176-K197 WeakPolarHBondContact CE2-O 3.15Å; F176-K197 HydrophobicContact CG-CB 3.74Å; F176-K197 HydrophobicContact CG-CD 3.89Å; F176-K197 HydrophobicContact CG-CG 4.08Å; F176-K197 HydrophobicContact CZ-CB 4.4Å
177	T	96.6	Very high	95	Very high	60 Å²	60	76.2 Å²	76.2	37%	0.368	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.5	-173.7	-59.6	0	0	0	0	109.8	M153 I154 M155	M153-T177 HydrophobicContact CE-CG2 3.6Å; M153-T177 HydrophobicContact CG-CG2 3.4Å; M153-T177 HydrophobicContact SD-CG2 3.37Å; M153-T177 WeakPolarHBondContact SD-CG2 3.46Å; I154-T177 CarbonylContact O-C 3.57Å; I154-T177 WeakPolarHBondContact O-CA 3.35Å; M155-T177 HydrophobicContact CG-CG2 4.24Å
178	E	97.6	Very high	95.4	Very high	46 Å²	46	80 Å²	80	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.3	174.4	-68.8	-57.9	152.2	0	0	110.4	M153 I154 V190 L194 K197	M153-E178 CarbonylContact C-O 3.53Å; M153-E178 WeakPolarHBondContact CA-O 3.4Å; I154-E178 PolarHBondContact N-O 2.87Å; I154-E178 PolarHBondContact O-N 3.44Å; E178-V190 HydrophobicContact CB-CG1 4.31Å; E178-V190 HydrophobicContact CG-CG1 4.24Å; E178-L194 HydrophobicContact CB-CD1 4.23Å; E178-L194 HydrophobicContact CB-CD2 4.06Å; E178-L194 HydrophobicContact CB-CG 4.4Å; E178-L194 HydrophobicContact CG-CD1 4.16Å; E178-L194 HydrophobicContact CG-CD2 3.4Å; E178-L194 VanDerWaalsContact CG-CD2 3.4Å; E178-L194 HydrophobicContact CG-CG 3.79Å; E178-K197 IonicContact OE1-NZ 2.65Å; E178-K197 PolarHBondContact OE1-NZ 2.86Å
179	R	97.6	Very high	95.8	Very high	133 Å²	133	82.7 Å²	82.7	50%	0.502	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.2	175.9	-69.3	-178.9	-175.3	124.1	5.9	108.8	D146 H149 M153	D146-R179 IonicContact OD2-CZ 2.97Å; D146-R179 IonicContact OD2-NE 3.27Å; D146-R179 PolarHBondContact OD2-NE 3.3Å; D146-R179 IonicContact OD2-NH2 3.53Å; H149-R179 PolarHBondContact CE1-NH2 3.49Å; H149-R179 VanDerWaalsContact CG-NE 3.27Å; H149-R179 VanDerWaalsContact ND1-CZ 3.3Å; H149-R179 PolarHBondContact ND1-NE 2.9Å; H149-R179 PolarHBondContact ND1-NH2 2.86Å; H149-R179 PolarHBondContact NE2-NH1 3.35Å; H149-R179 PolarHBondContact NE2-NH2 3.17Å; M153-R179 HydrophobicContact CE-CG 4.18Å
180	V	97.8	Very high	96.2	Very high	7 Å²	7	76.9 Å²	76.9	4%	0.042	38%	0.383	C	S	.	.			trans	-104.2	124.2	-174	-174.3	0	0	0	0	109.4	P152 I154 I182 G185 L186 Y216	P152-V180 HydrophobicContact CB-CB 4.43Å; P152-V180 WeakPolarHBondContact CD-O 3.22Å; P152-V180 PolarHBondContact O-N 2.79Å; I154-V180 HydrophobicContact CD1-CG2 3.99Å; I154-V180 HydrophobicContact CG1-CG2 3.98Å; V180-I182 PolarHBondContact O-N 3.36Å; V180-G185 WeakPolarHBondContact CG1-O 3.48Å; V180-L186 HydrophobicContact CG1-CB 4.32Å; V180-L186 HydrophobicContact CG2-CD1 4.05Å; V180-Y216 HydrophobicContact CB-CE2 3.94Å; V180-Y216 HydrophobicContact CG1-CD2 4.45Å; V180-Y216 HydrophobicContact CG1-CE1 4.4Å; V180-Y216 HydrophobicContact CG1-CE2 3.65Å; V180-Y216 HydrophobicContact CG2-CE2 4.26Å
181	N	96	Very high	96.4	Very high	72 Å²	72	70.6 Å²	70.6	39%	0.385	36%	0.356	S	S	.	.			trans	-64.6	120	171	-179.7	-22.3	0	0	0	109.1	M183 E184 G185	N181-M183 PolarHBondContact O-N 3.11Å; N181-M183 WeakPolarHBondContact OD1-CB 3.44Å; N181-M183 PolarHBondContact OD1-N 3.12Å; N181-E184 HydrophobicContact CB-CB 4.15Å; N181-E184 HydrophobicContact CB-CG 4.23Å; N181-E184 PolarHBondContact ND2-OE1 2.86Å; N181-E184 PolarHBondContact O-N 3.36Å; N181-E184 VanDerWaalsContact O-N 3.17Å; N181-G185 PolarHBondContact O-N 2.84Å
182	I	95.5	Very high	96.7	Very high	105 Å²	105	68.9 Å²	68.9	54%	0.538	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	-176.1	-162.6	167.7	0	0	0	113.6	P152 V180 I220	P152-I182 HydrophobicContact CG-CB 4.5Å; P152-I182 HydrophobicContact CG-CD1 4.48Å; P152-I182 HydrophobicContact CG-CG1 4.39Å; V180-I182 PolarHBondContact O-N 3.36Å; I182-I220 HydrophobicContact CG1-CD1 4.44Å
183	M	94.8	Very high	96.9	Very high	169 Å²	169	68.4 Å²	68.4	83%	0.833	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-30.9	178.4	-61.3	-60.7	-64	0	0	112.4	N181	N181-M183 PolarHBondContact O-N 3.11Å; N181-M183 WeakPolarHBondContact OD1-CB 3.44Å; N181-M183 PolarHBondContact OD1-N 3.12Å
184	E	95.8	Very high	97.1	Very high	144 Å²	144	62.2 Å²	62.2	67%	0.673	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-33.7	-179.9	-66.1	171.6	-166.1	0	0	111.9	N181	N181-E184 HydrophobicContact CB-CB 4.15Å; N181-E184 HydrophobicContact CB-CG 4.23Å; N181-E184 PolarHBondContact ND2-OE1 2.86Å; N181-E184 PolarHBondContact O-N 3.36Å; N181-E184 VanDerWaalsContact O-N 3.17Å
185	G	97.1	Very high	97.2	Very high	18 Å²	18	60.3 Å²	60.3	19%	0.186	30%	0.301	C	S	.	.			trans	75.6	-178	-171.5	0	0	0	0	0	113.1	V180 N181 T187	V180-G185 WeakPolarHBondContact CG1-O 3.48Å; N181-G185 PolarHBondContact O-N 2.84Å; G185-T187 PolarHBondContact O-N 2.94Å
186	L	98	Very high	97.2	Very high	12 Å²	12	64.7 Å²	64.7	6%	0.063	32%	0.321	C	S	.	.			trans	-75.2	104.8	176.3	-176.9	66.7	0	0	0	110.1	I154 V180 V190 A191 L194 L212 Q213 Y216	I154-L186 HydrophobicContact CD1-CD1 3.79Å; I154-L186 HydrophobicContact CD1-CD2 3.57Å; I154-L186 HydrophobicContact CD1-CG 4.15Å; V180-L186 HydrophobicContact CG1-CB 4.32Å; V180-L186 HydrophobicContact CG2-CD1 4.05Å; L186-V190 HydrophobicContact CD1-CB 4.14Å; L186-V190 HydrophobicContact CD1-CG1 3.78Å; L186-A191 HydrophobicContact CD2-CB 3.93Å; L186-A191 HydrophobicContact CG-CB 4.09Å; L186-L194 HydrophobicContact CD1-CD1 4.36Å; L186-L212 HydrophobicContact CD2-CB 3.92Å; L186-Q213 HydrophobicContact CD2-CG 4.18Å; L186-Q213 HydrophobicContact CG-CG 4.39Å; L186-Q213 PolarHBondContact O-NE2 2.72Å; L186-Y216 HydrophobicContact CB-CD1 3.8Å; L186-Y216 HydrophobicContact CB-CD2 4.18Å; L186-Y216 HydrophobicContact CB-CE1 4.36Å; L186-Y216 HydrophobicContact CB-CG 3.71Å
187	T	97.5	Very high	97.2	Very high	58 Å²	58	64.9 Å²	64.9	36%	0.356	32%	0.321	S	S	.	.			trans	-68.7	152.5	176	71	0	0	0	0	111.1	G185 H189 V190 A191	G185-T187 PolarHBondContact O-N 2.94Å; T187-H189 VanDerWaalsContact C-N 3.25Å; T187-H189 PolarHBondContact O-N 3.24Å; T187-V190 PolarHBondContact O-N 3.19Å; T187-V190 WeakPolarHBondContact OG1-CG2 3.45Å; T187-V190 PolarHBondContact OG1-N 3.35Å; T187-A191 WeakPolarHBondContact O-CB 3.49Å; T187-A191 PolarHBondContact O-N 3.48Å
188	L	97.3	Very high	97.2	Very high	81 Å²	81	62 Å²	62	42%	0.424	30%	0.304	S	S	.	.	H	α-helix	trans	-58.9	-40.7	178.7	179.2	63.4	0	0	0	111.2	V190 A191 Q192 A209	L188-V190 PolarHBondContact O-N 2.75Å; L188-A191 WeakPolarHBondContact O-CB 3.23Å; L188-A191 PolarHBondContact O-N 2.9Å; L188-Q192 HydrophobicContact CD1-CG 4.33Å; L188-Q192 HydrophobicContact CG-CG 4.37Å; L188-Q192 VanDerWaalsContact O-CG 3.3Å; L188-Q192 WeakPolarHBondContact O-CG 3.24Å; L188-Q192 PolarHBondContact O-N 2.95Å; L188-A209 HydrophobicContact CD1-CB 3.87Å
189	H	97.6	Very high	97.1	Very high	118 Å²	118	64.7 Å²	64.7	55%	0.546	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-48.4	179.3	179.8	46.3	0	0	0	112.3	T187 A191 Q192 E193	T187-H189 VanDerWaalsContact C-N 3.25Å; T187-H189 PolarHBondContact O-N 3.24Å; H189-A191 VanDerWaalsContact C-N 3.31Å; H189-A191 PolarHBondContact O-N 3.46Å; H189-Q192 PolarHBondContact O-N 3.4Å; H189-E193 IonicContact CE1-OE1 3.45Å; H189-E193 PolarHBondContact CE1-OE1 2.77Å; H189-E193 IonicContact NE2-OE1 2.78Å; H189-E193 PolarHBondContact NE2-OE1 2.83Å; H189-E193 WeakPolarHBondContact O-CG 3.35Å; H189-E193 PolarHBondContact O-N 2.83Å
190	V	97.7	Very high	97	Very high	37 Å²	37	59.1 Å²	59.1	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-37.2	176.8	175.2	0	0	0	0	111	E178 L186 T187 L188 Q192 E193 L194	E178-V190 HydrophobicContact CB-CG1 4.31Å; E178-V190 HydrophobicContact CG-CG1 4.24Å; L186-V190 HydrophobicContact CD1-CB 4.14Å; L186-V190 HydrophobicContact CD1-CG1 3.78Å; T187-V190 PolarHBondContact O-N 3.19Å; T187-V190 WeakPolarHBondContact OG1-CG2 3.45Å; T187-V190 PolarHBondContact OG1-N 3.35Å; L188-V190 PolarHBondContact O-N 2.75Å; V190-Q192 VanDerWaalsContact C-N 3.35Å; V190-Q192 PolarHBondContact O-N 3.3Å; V190-E193 PolarHBondContact O-N 2.87Å; V190-L194 HydrophobicContact CG1-CD1 4.45Å; V190-L194 WeakPolarHBondContact O-CG 3.37Å; V190-L194 PolarHBondContact O-N 2.87Å
191	A	98.3	Very high	96.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-37.5	175.4	0	0	0	0	0	112.6	L186 T187 L188 H189 L194 A195 A209 L212 Q213	L186-A191 HydrophobicContact CD2-CB 3.93Å; L186-A191 HydrophobicContact CG-CB 4.09Å; T187-A191 WeakPolarHBondContact O-CB 3.49Å; T187-A191 PolarHBondContact O-N 3.48Å; L188-A191 WeakPolarHBondContact O-CB 3.23Å; L188-A191 PolarHBondContact O-N 2.9Å; H189-A191 VanDerWaalsContact C-N 3.31Å; H189-A191 PolarHBondContact O-N 3.46Å; A191-L194 PolarHBondContact O-N 2.97Å; A191-A195 PolarHBondContact O-N 3.12Å; A191-A209 HydrophobicContact CB-CB 3.76Å; A191-L212 HydrophobicContact CB-CB 4.26Å; A191-L212 HydrophobicContact CB-CD1 4.48Å; A191-L212 WeakPolarHBondContact O-CD1 3.22Å; A191-Q213 HydrophobicContact CB-CG 4.15Å
192	Q	98.3	Very high	96.6	Very high	51 Å²	51	67.6 Å²	67.6	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-43.8	173.7	-70.6	169.9	-37.9	0	0	111.4	L188 H189 V190 L194 A195 E196 V205 D206 A209	L188-Q192 HydrophobicContact CD1-CG 4.33Å; L188-Q192 HydrophobicContact CG-CG 4.37Å; L188-Q192 VanDerWaalsContact O-CG 3.3Å; L188-Q192 WeakPolarHBondContact O-CG 3.24Å; L188-Q192 PolarHBondContact O-N 2.95Å; H189-Q192 PolarHBondContact O-N 3.4Å; V190-Q192 VanDerWaalsContact C-N 3.35Å; V190-Q192 PolarHBondContact O-N 3.3Å; Q192-L194 VanDerWaalsContact C-N 3.3Å; Q192-L194 PolarHBondContact O-N 2.85Å; Q192-A195 WeakPolarHBondContact O-CB 3.45Å; Q192-A195 PolarHBondContact O-N 3.38Å; Q192-A195 VanDerWaalsContact O-N 3.13Å; Q192-E196 WeakPolarHBondContact O-CG 3.46Å; Q192-E196 PolarHBondContact O-N 3.48Å; Q192-V205 HydrophobicContact CB-CG1 3.74Å; Q192-V205 HydrophobicContact CG-CG1 3.83Å; Q192-D206 PolarHBondContact NE2-OD1 3.43Å; Q192-A209 HydrophobicContact CB-CB 4.45Å; Q192-A209 HydrophobicContact CG-CB 3.73Å
193	E	97.9	Very high	96.6	Very high	69 Å²	69	67.6 Å²	67.6	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-39.5	175.5	-70.2	-176.3	167.2	0	0	112.3	H189 V190 E196 K197	H189-E193 IonicContact CE1-OE1 3.45Å; H189-E193 PolarHBondContact CE1-OE1 2.77Å; H189-E193 IonicContact NE2-OE1 2.78Å; H189-E193 PolarHBondContact NE2-OE1 2.83Å; H189-E193 WeakPolarHBondContact O-CG 3.35Å; H189-E193 PolarHBondContact O-N 2.83Å; V190-E193 PolarHBondContact O-N 2.87Å; E193-E196 PolarHBondContact O-N 3.34Å; E193-K197 VanDerWaalsContact O-CG 3.29Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 2.79Å
194	L	98.1	Very high	96.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-43.3	173.8	-76.4	170.8	0	0	0	111.9	I154 V156 E178 L186 V190 A191 Q192 E196 K197 M198 L212	I154-L194 HydrophobicContact CB-CD1 4.23Å; I154-L194 HydrophobicContact CD1-CD1 4.39Å; I154-L194 HydrophobicContact CG2-CD1 3.98Å; V156-L194 HydrophobicContact CG1-CD2 4.09Å; V156-L194 HydrophobicContact CG2-CB 4.46Å; V156-L194 HydrophobicContact CG2-CD2 3.6Å; E178-L194 HydrophobicContact CB-CD1 4.23Å; E178-L194 HydrophobicContact CB-CD2 4.06Å; E178-L194 HydrophobicContact CB-CG 4.4Å; E178-L194 HydrophobicContact CG-CD1 4.16Å; E178-L194 HydrophobicContact CG-CD2 3.4Å; E178-L194 VanDerWaalsContact CG-CD2 3.4Å; E178-L194 HydrophobicContact CG-CG 3.79Å; L186-L194 HydrophobicContact CD1-CD1 4.36Å; V190-L194 HydrophobicContact CG1-CD1 4.45Å; V190-L194 WeakPolarHBondContact O-CG 3.37Å; V190-L194 PolarHBondContact O-N 2.87Å; A191-L194 PolarHBondContact O-N 2.97Å; Q192-L194 VanDerWaalsContact C-N 3.3Å; Q192-L194 PolarHBondContact O-N 2.85Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 2.73Å; L194-K197 PolarHBondContact O-N 3.23Å; L194-M198 WeakPolarHBondContact O-CG 3.47Å; L194-M198 PolarHBondContact O-N 2.75Å; L194-L212 HydrophobicContact CB-CD1 3.75Å; L194-L212 HydrophobicContact CD1-CD1 4.37Å
195	A	97.9	Very high	96.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-40.7	176.5	0	0	0	0	0	112.2	A191 Q192 M198 Q199 F200 V205 V208	A191-A195 PolarHBondContact O-N 3.12Å; Q192-A195 WeakPolarHBondContact O-CB 3.45Å; Q192-A195 PolarHBondContact O-N 3.38Å; Q192-A195 VanDerWaalsContact O-N 3.13Å; A195-M198 WeakPolarHBondContact O-CB 3.3Å; A195-M198 PolarHBondContact O-N 2.96Å; A195-Q199 PolarHBondContact O-N 3.37Å; A195-F200 PolarHBondContact O-N 3.21Å; A195-V205 HydrophobicContact CB-CG1 4.33Å; A195-V208 HydrophobicContact CB-CB 3.75Å; A195-V208 HydrophobicContact CB-CG1 3.52Å
196	E	97.3	Very high	96.7	Very high	119 Å²	119	57 Å²	57	56%	0.556	28%	0.282	S	S	*	.	H	α-helix	trans	-64.6	-40	174.3	-70.3	-177.1	170.1	0	0	112.1	Q192 E193 L194 M198 Q199 V205	Q192-E196 WeakPolarHBondContact O-CG 3.46Å; Q192-E196 PolarHBondContact O-N 3.48Å; E193-E196 PolarHBondContact O-N 3.34Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 2.73Å; E196-M198 VanDerWaalsContact C-N 3.28Å; E196-M198 PolarHBondContact O-N 3.18Å; E196-Q199 VanDerWaalsContact O-CA 3.26Å; E196-Q199 WeakPolarHBondContact O-CA 3.28Å; E196-Q199 PolarHBondContact O-N 2.98Å; E196-V205 HydrophobicContact CG-CG1 4.44Å; E196-V205 HydrophobicContact CG-CG2 3.9Å
197	K	96.7	Very high	96.6	Very high	63 Å²	63	59 Å²	59	27%	0.274	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-31.8	175	-73.4	170.9	-173.3	178.2	0	112.7	F176 E178 E193 L194 Q199	F176-K197 HydrophobicContact CB-CB 4.22Å; F176-K197 HydrophobicContact CB-CD 3.9Å; F176-K197 HydrophobicContact CD1-CB 4.04Å; F176-K197 HydrophobicContact CD1-CD 3.72Å; F176-K197 HydrophobicContact CD1-CG 3.9Å; F176-K197 HydrophobicContact CD2-CB 3.8Å; F176-K197 HydrophobicContact CE1-CB 4.36Å; F176-K197 HydrophobicContact CE1-CD 4.47Å; F176-K197 HydrophobicContact CE1-CG 4.21Å; F176-K197 HydrophobicContact CE2-CB 4.13Å; F176-K197 WeakPolarHBondContact CE2-O 3.15Å; F176-K197 HydrophobicContact CG-CB 3.74Å; F176-K197 HydrophobicContact CG-CD 3.89Å; F176-K197 HydrophobicContact CG-CG 4.08Å; F176-K197 HydrophobicContact CZ-CB 4.4Å; E178-K197 IonicContact OE1-NZ 2.65Å; E178-K197 PolarHBondContact OE1-NZ 2.86Å; E193-K197 VanDerWaalsContact O-CG 3.29Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 2.79Å; L194-K197 PolarHBondContact O-N 3.23Å; K197-Q199 PolarHBondContact O-N 3.35Å
198	M	96.2	Very high	96.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.2	169.1	-65.2	174.1	78.8	0	0	113.2	T139 I141 V156 P158 L194 A195 E196 F200 F232	T139-M198 HydrophobicContact CG2-CE 4.13Å; T139-M198 WeakPolarHBondContact OG1-CE 3.42Å; I141-M198 HydrophobicContact CD1-CE 3.94Å; I141-M198 HydrophobicContact CD1-SD 4.41Å; I141-M198 HydrophobicContact CG1-CE 3.51Å; I141-M198 HydrophobicContact CG1-SD 4.08Å; V156-M198 HydrophobicContact CB-CE 4.46Å; V156-M198 HydrophobicContact CB-CG 3.55Å; V156-M198 HydrophobicContact CB-SD 3.64Å; V156-M198 HydrophobicContact CG1-CG 4.29Å; V156-M198 HydrophobicContact CG1-SD 3.75Å; V156-M198 HydrophobicContact CG2-CG 3.65Å; V156-M198 HydrophobicContact CG2-SD 4.21Å; P158-M198 WeakPolarHBondContact CB-O 3.36Å; L194-M198 WeakPolarHBondContact O-CG 3.47Å; L194-M198 PolarHBondContact O-N 2.75Å; A195-M198 WeakPolarHBondContact O-CB 3.3Å; A195-M198 PolarHBondContact O-N 2.96Å; E196-M198 VanDerWaalsContact C-N 3.28Å; E196-M198 PolarHBondContact O-N 3.18Å; M198-F200 VanDerWaalsContact C-N 3.33Å; M198-F200 HydrophobicContact CB-CD2 3.69Å; M198-F200 HydrophobicContact CB-CE2 3.81Å; M198-F200 HydrophobicContact CE-CE2 3.93Å; M198-F200 PolarHBondContact O-N 2.97Å; M198-F200 HydrophobicContact SD-CE2 4.28Å; M198-F232 HydrophobicContact CE-CD1 4.04Å
199	Q	95.7	Very high	96.7	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	31.3	176.5	-53	173.5	-6.9	0	0	114	R137 P158 A195 E196 K197	R137-Q199 PolarHBondContact NH1-O 2.99Å; P158-Q199 HydrophobicContact CB-CB 4.38Å; P158-Q199 HydrophobicContact CB-CG 3.99Å; P158-Q199 HydrophobicContact CG-CG 4.43Å; A195-Q199 PolarHBondContact O-N 3.37Å; E196-Q199 VanDerWaalsContact O-CA 3.26Å; E196-Q199 WeakPolarHBondContact O-CA 3.28Å; E196-Q199 PolarHBondContact O-N 2.98Å; K197-Q199 PolarHBondContact O-N 3.35Å
200	F	95.2	Very high	96.7	Very high	16 Å²	16	50.9 Å²	50.9	7%	0.07	25%	0.248	C	C	.	.			trans	-67.1	151.9	168.3	-78.2	-88	0	0	0	111.2	T139 A195 M198 M204 V208 F232 H234 V240	T139-F200 HydrophobicContact CG2-CE2 4.04Å; T139-F200 HydrophobicContact CG2-CZ 4.17Å; A195-F200 PolarHBondContact O-N 3.21Å; M198-F200 VanDerWaalsContact C-N 3.33Å; M198-F200 HydrophobicContact CB-CD2 3.69Å; M198-F200 HydrophobicContact CB-CE2 3.81Å; M198-F200 HydrophobicContact CE-CE2 3.93Å; M198-F200 PolarHBondContact O-N 2.97Å; M198-F200 HydrophobicContact SD-CE2 4.28Å; F200-M204 HydrophobicContact CB-CB 4.2Å; F200-M204 HydrophobicContact CD1-CB 4.06Å; F200-V208 HydrophobicContact CB-CG2 4.38Å; F200-V208 HydrophobicContact CD1-CG2 3.65Å; F200-V208 HydrophobicContact CD2-CB 4.46Å; F200-V208 HydrophobicContact CD2-CG1 4.07Å; F200-V208 HydrophobicContact CD2-CG2 3.83Å; F200-V208 HydrophobicContact CE1-CG2 3.72Å; F200-V208 HydrophobicContact CE2-CG1 4.04Å; F200-V208 HydrophobicContact CE2-CG2 3.92Å; F200-V208 HydrophobicContact CG-CG2 3.69Å; F200-V208 HydrophobicContact CZ-CG2 3.88Å; F200-F232 HydrophobicContact CE2-CD1 4.27Å; F200-F232 HydrophobicContact CE2-CE1 4.11Å; F200-F232 AromaticContact CZ-CD1 3.87Å; F200-F232 HydrophobicContact CZ-CD1 3.87Å; F200-F232 AromaticContact CZ-CE1 3.69Å; F200-F232 HydrophobicContact CZ-CE1 3.69Å; F200-H234 HydrophobicContact CD1-CB 4.43Å; F200-H234 HydrophobicContact CE1-CB 3.71Å; F200-V240 HydrophobicContact CD1-CG1 4.43Å; F200-V240 HydrophobicContact CE1-CG1 3.6Å; F200-V240 HydrophobicContact CZ-CG1 4.13Å
201	T	92.1	Very high	96.7	Very high	66 Å²	66	49.2 Å²	49.2	41%	0.405	24%	0.238	S	C	.	.			trans	-70.8	155.7	176.1	54.7	0	0	0	0	110.6	D203 M204 V205	T201-D203 WeakPolarHBondContact CB-OD1 3.36Å; T201-D203 PolarHBondContact O-N 3.12Å; T201-D203 VanDerWaalsContact O-N 3.12Å; T201-D203 PolarHBondContact OG1-OD1 3.22Å; T201-M204 WeakPolarHBondContact O-CA 3.39Å; T201-M204 PolarHBondContact O-N 3.25Å; T201-M204 WeakPolarHBondContact OG1-CG 3.14Å; T201-V205 PolarHBondContact O-N 2.82Å
202	K	94	Very high	96.7	Very high	192 Å²	192	49.2 Å²	49.2	84%	0.835	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.6	-174.8	-71.1	-172.7	174.3	-174.2	0	113.9	M204	K202-M204 VanDerWaalsContact C-N 3.28Å
203	D	94.5	Very high	96.7	Very high	104 Å²	104	49.9 Å²	49.9	56%	0.556	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-19.6	176.6	58.9	-54.7	0	0	0	113.5	T201 N238	T201-D203 WeakPolarHBondContact CB-OD1 3.36Å; T201-D203 PolarHBondContact O-N 3.12Å; T201-D203 VanDerWaalsContact O-N 3.12Å; T201-D203 PolarHBondContact OG1-OD1 3.22Å; D203-N238 PolarHBondContact OD2-ND2 3.09Å
204	M	95.5	Very high	96.7	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-15.3	178.8	-65.7	-56.9	-63.2	0	0	113.8	F200 T201 K202 D206 E207 V208 N238 V240	F200-M204 HydrophobicContact CB-CB 4.2Å; F200-M204 HydrophobicContact CD1-CB 4.06Å; T201-M204 WeakPolarHBondContact O-CA 3.39Å; T201-M204 PolarHBondContact O-N 3.25Å; T201-M204 WeakPolarHBondContact OG1-CG 3.14Å; K202-M204 VanDerWaalsContact C-N 3.28Å; M204-D206 VanDerWaalsContact C-N 3.3Å; M204-D206 PolarHBondContact O-N 2.78Å; M204-E207 WeakPolarHBondContact CE-OE2 3.47Å; M204-E207 PolarHBondContact O-N 3.3Å; M204-V208 WeakPolarHBondContact O-CG2 3.45Å; M204-V208 PolarHBondContact O-N 2.99Å; M204-N238 HydrophobicContact SD-CB 4.41Å; M204-N238 PolarHBondContact SD-ND2 3.39Å; M204-N238 VanDerWaalsContact SD-ND2 3.42Å; M204-N238 PolarHBondContact SD-OD1 3.29Å; M204-N238 VanDerWaalsContact SD-OD1 3.32Å; M204-V240 HydrophobicContact CE-CG1 3.71Å
205	V	97.1	Very high	96.8	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-54.9	-44.7	-174.8	165.1	0	0	0	0	111.9	Q192 A195 E196 T201 V208 A209	Q192-V205 HydrophobicContact CB-CG1 3.74Å; Q192-V205 HydrophobicContact CG-CG1 3.83Å; A195-V205 HydrophobicContact CB-CG1 4.33Å; E196-V205 HydrophobicContact CG-CG1 4.44Å; E196-V205 HydrophobicContact CG-CG2 3.9Å; T201-V205 PolarHBondContact O-N 2.82Å; V205-V208 PolarHBondContact O-N 3.34Å; V205-A209 VanDerWaalsContact O-CB 3.22Å; V205-A209 WeakPolarHBondContact O-CB 3.42Å; V205-A209 PolarHBondContact O-N 2.93Å
206	D	97.1	Very high	96.8	Very high	97 Å²	97	50 Å²	50	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-40.2	-178.8	-70.9	-24.5	0	0	0	112.6	Q192 M204 A209 E210	Q192-D206 PolarHBondContact NE2-OD1 3.43Å; M204-D206 VanDerWaalsContact C-N 3.3Å; M204-D206 PolarHBondContact O-N 2.78Å; D206-A209 PolarHBondContact O-N 3.45Å; D206-E210 PolarHBondContact O-N 2.86Å
207	E	96.6	Very high	96.8	Very high	54 Å²	54	49.8 Å²	49.8	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-43.7	177.2	-173.4	179.6	163.9	0	0	111.1	M204 E210 Q211 V240	M204-E207 WeakPolarHBondContact CE-OE2 3.47Å; M204-E207 PolarHBondContact O-N 3.3Å; E207-E210 PolarHBondContact O-N 3.24Å; E207-Q211 WeakPolarHBondContact O-CG 3.43Å; E207-Q211 PolarHBondContact O-N 3.21Å; E207-V240 HydrophobicContact CG-CG2 3.9Å; E207-V240 WeakPolarHBondContact OE1-CG2 3.4Å; E207-V240 PolarHBondContact OE1-N 3.15Å
208	V	97.8	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-42.7	177.5	176	0	0	0	0	111.1	A195 F200 M204 V205 E210 Q211 L212 F232 V240	A195-V208 HydrophobicContact CB-CB 3.75Å; A195-V208 HydrophobicContact CB-CG1 3.52Å; F200-V208 HydrophobicContact CB-CG2 4.38Å; F200-V208 HydrophobicContact CD1-CG2 3.65Å; F200-V208 HydrophobicContact CD2-CB 4.46Å; F200-V208 HydrophobicContact CD2-CG1 4.07Å; F200-V208 HydrophobicContact CD2-CG2 3.83Å; F200-V208 HydrophobicContact CE1-CG2 3.72Å; F200-V208 HydrophobicContact CE2-CG1 4.04Å; F200-V208 HydrophobicContact CE2-CG2 3.92Å; F200-V208 HydrophobicContact CG-CG2 3.69Å; F200-V208 HydrophobicContact CZ-CG2 3.88Å; M204-V208 WeakPolarHBondContact O-CG2 3.45Å; M204-V208 PolarHBondContact O-N 2.99Å; V205-V208 PolarHBondContact O-N 3.34Å; V208-E210 VanDerWaalsContact C-N 3.29Å; V208-E210 PolarHBondContact O-N 3.44Å; V208-Q211 PolarHBondContact O-N 2.93Å; V208-L212 HydrophobicContact CG1-CD1 4.24Å; V208-L212 WeakPolarHBondContact O-CG 3.31Å; V208-L212 PolarHBondContact O-N 2.84Å; V208-F232 HydrophobicContact CG1-CE1 4.06Å; V208-F232 HydrophobicContact CG2-CE1 4.23Å; V208-V240 HydrophobicContact CG2-CG1 3.87Å
209	A	98.3	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-41.5	176.5	0	0	0	0	0	111.3	L188 A191 Q192 V205 D206 L212 Q213	L188-A209 HydrophobicContact CD1-CB 3.87Å; A191-A209 HydrophobicContact CB-CB 3.76Å; Q192-A209 HydrophobicContact CB-CB 4.45Å; Q192-A209 HydrophobicContact CG-CB 3.73Å; V205-A209 VanDerWaalsContact O-CB 3.22Å; V205-A209 WeakPolarHBondContact O-CB 3.42Å; V205-A209 PolarHBondContact O-N 2.93Å; D206-A209 PolarHBondContact O-N 3.45Å; A209-L212 PolarHBondContact O-N 2.71Å; A209-Q213 WeakPolarHBondContact O-CG 3.38Å; A209-Q213 PolarHBondContact O-N 2.8Å
210	E	98	Very high	97.1	Very high	88 Å²	88	45.2 Å²	45.2	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-42.8	175	-166.5	-178.4	-173.2	0	0	112	D206 E207 V208 L212 Q213 R214	D206-E210 PolarHBondContact O-N 2.86Å; E207-E210 PolarHBondContact O-N 3.24Å; V208-E210 VanDerWaalsContact C-N 3.29Å; V208-E210 PolarHBondContact O-N 3.44Å; E210-L212 PolarHBondContact O-N 3.31Å; E210-Q213 PolarHBondContact O-N 2.88Å; E210-R214 VanDerWaalsContact O-CG 3.29Å; E210-R214 WeakPolarHBondContact O-CG 3.27Å; E210-R214 PolarHBondContact O-N 3.06Å; E210-R214 IonicContact OE1-CZ 2.75Å; E210-R214 IonicContact OE1-NE 3.86Å; E210-R214 PolarHBondContact OE1-NE 2.93Å; E210-R214 IonicContact OE1-NH2 2.9Å; E210-R214 PolarHBondContact OE1-NH2 3.21Å; E210-R214 IonicContact OE2-CZ 3.26Å; E210-R214 IonicContact OE2-NH2 2.83Å; E210-R214 PolarHBondContact OE2-NH2 2.74Å
211	Q	98.2	Very high	97.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-41.4	174.6	-66.8	-62.3	-46.4	0	0	112.2	N41 E207 V208 Q213 R214 L215 F232 V240	N41-Q211 PolarHBondContact ND2-NE2 2.95Å; N41-Q211 PolarHBondContact OD1-NE2 2.85Å; N41-Q211 VanDerWaalsContact OD1-NE2 3.12Å; E207-Q211 WeakPolarHBondContact O-CG 3.43Å; E207-Q211 PolarHBondContact O-N 3.21Å; V208-Q211 PolarHBondContact O-N 2.93Å; Q211-Q213 VanDerWaalsContact C-N 3.34Å; Q211-Q213 PolarHBondContact O-N 3.22Å; Q211-R214 PolarHBondContact O-N 3.18Å; Q211-L215 WeakPolarHBondContact O-CB 3.36Å; Q211-L215 WeakPolarHBondContact O-CG 3.45Å; Q211-L215 PolarHBondContact O-N 2.95Å; Q211-F232 HydrophobicContact CB-CE2 4.33Å; Q211-F232 HydrophobicContact CB-CZ 4.09Å; Q211-F232 HydrophobicContact CG-CE2 4.46Å; Q211-F232 HydrophobicContact CG-CZ 4.25Å; Q211-V240 HydrophobicContact CG-CG2 3.8Å
212	L	98.4	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-42	175.3	-74.2	169.9	0	0	0	111.7	I141 I154 V156 L186 A191 L194 V208 A209 E210 L215 Y216	I141-L212 HydrophobicContact CD1-CD2 3.82Å; I141-L212 HydrophobicContact CG1-CD2 4.26Å; I141-L212 HydrophobicContact CG2-CD2 3.83Å; I154-L212 HydrophobicContact CG2-CD2 4.5Å; V156-L212 HydrophobicContact CG1-CD2 4.42Å; L186-L212 HydrophobicContact CD2-CB 3.92Å; A191-L212 HydrophobicContact CB-CB 4.26Å; A191-L212 HydrophobicContact CB-CD1 4.48Å; A191-L212 WeakPolarHBondContact O-CD1 3.22Å; L194-L212 HydrophobicContact CB-CD1 3.75Å; L194-L212 HydrophobicContact CD1-CD1 4.37Å; V208-L212 HydrophobicContact CG1-CD1 4.24Å; V208-L212 WeakPolarHBondContact O-CG 3.31Å; V208-L212 PolarHBondContact O-N 2.84Å; A209-L212 PolarHBondContact O-N 2.71Å; E210-L212 PolarHBondContact O-N 3.31Å; L212-L215 PolarHBondContact O-N 3.04Å; L212-Y216 WeakPolarHBondContact O-CB 3.46Å; L212-Y216 PolarHBondContact O-N 2.95Å
213	Q	98.4	Very high	97.5	Very high	64 Å²	64	39.6 Å²	39.6	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-39.9	174.8	-71	-170.2	-50.8	0	0	112.3	L186 A191 A209 E210 Q211 Y216 R217	L186-Q213 HydrophobicContact CD2-CG 4.18Å; L186-Q213 HydrophobicContact CG-CG 4.39Å; L186-Q213 PolarHBondContact O-NE2 2.72Å; A191-Q213 HydrophobicContact CB-CG 4.15Å; A209-Q213 WeakPolarHBondContact O-CG 3.38Å; A209-Q213 PolarHBondContact O-N 2.8Å; E210-Q213 PolarHBondContact O-N 2.88Å; Q211-Q213 VanDerWaalsContact C-N 3.34Å; Q211-Q213 PolarHBondContact O-N 3.22Å; Q213-Y216 PolarHBondContact O-N 3.1Å; Q213-R217 WeakPolarHBondContact O-CB 3.44Å; Q213-R217 PolarHBondContact O-N 2.87Å
214	R	98.4	Very high	97.6	Very high	56 Å²	56	34.9 Å²	34.9	21%	0.211	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-42.1	175.7	-68.9	171.8	-175.6	177.6	5.7	111.7	G39 V40 E210 Q211 R217 A218	G39-R214 VanDerWaalsContact O-CD 3.27Å; G39-R214 WeakPolarHBondContact O-CD 3.38Å; G39-R214 PolarHBondContact O-NH1 3.13Å; V40-R214 HydrophobicContact CG2-CB 3.86Å; E210-R214 VanDerWaalsContact O-CG 3.29Å; E210-R214 WeakPolarHBondContact O-CG 3.27Å; E210-R214 PolarHBondContact O-N 3.06Å; E210-R214 IonicContact OE1-CZ 2.75Å; E210-R214 IonicContact OE1-NE 3.86Å; E210-R214 PolarHBondContact OE1-NE 2.93Å; E210-R214 IonicContact OE1-NH2 2.9Å; E210-R214 PolarHBondContact OE1-NH2 3.21Å; E210-R214 IonicContact OE2-CZ 3.26Å; E210-R214 IonicContact OE2-NH2 2.83Å; E210-R214 PolarHBondContact OE2-NH2 2.74Å; Q211-R214 PolarHBondContact O-N 3.18Å; R214-R217 PolarHBondContact O-N 3.36Å; R214-A218 WeakPolarHBondContact O-CB 3.28Å; R214-A218 PolarHBondContact O-N 3.02Å
215	L	98.5	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-44.5	173.7	-73.9	167	0	0	0	111.6	L35 V40 I141 I143 Q211 L212 A218 F219 I227 I229	L35-L215 HydrophobicContact CD1-CD2 4.37Å; L35-L215 HydrophobicContact CD2-CD2 4.07Å; V40-L215 HydrophobicContact CG1-CD2 3.96Å; V40-L215 HydrophobicContact CG1-CG 4.36Å; V40-L215 HydrophobicContact CG2-CD2 3.99Å; V40-L215 HydrophobicContact CG2-CG 4.14Å; I141-L215 HydrophobicContact CD1-CD1 4.16Å; I141-L215 HydrophobicContact CG2-CD1 4.17Å; I143-L215 HydrophobicContact CD1-CB 3.84Å; Q211-L215 WeakPolarHBondContact O-CB 3.36Å; Q211-L215 WeakPolarHBondContact O-CG 3.45Å; Q211-L215 PolarHBondContact O-N 2.95Å; L212-L215 PolarHBondContact O-N 3.04Å; L215-A218 WeakPolarHBondContact O-CB 3.46Å; L215-A218 PolarHBondContact O-N 3.05Å; L215-F219 PolarHBondContact O-N 3.25Å; L215-I227 HydrophobicContact CD2-CG2 4.11Å; L215-I229 HydrophobicContact CD1-CG1 4.27Å; L215-I229 HydrophobicContact CD2-CD1 4.11Å; L215-I229 HydrophobicContact CD2-CG1 4.05Å
216	Y	98.5	Very high	97.5	Very high	17 Å²	17	36.5 Å²	36.5	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-44.1	176.5	-179.8	-96.8	0	0	0	112	P152 I154 V180 L186 L212 Q213 A218 F219 I220	P152-Y216 HydrophobicContact CB-CE2 3.82Å; P152-Y216 HydrophobicContact CG-CE2 4.22Å; I154-Y216 HydrophobicContact CD1-CD2 4.18Å; V180-Y216 HydrophobicContact CB-CE2 3.94Å; V180-Y216 HydrophobicContact CG1-CD2 4.45Å; V180-Y216 HydrophobicContact CG1-CE1 4.4Å; V180-Y216 HydrophobicContact CG1-CE2 3.65Å; V180-Y216 HydrophobicContact CG2-CE2 4.26Å; L186-Y216 HydrophobicContact CB-CD1 3.8Å; L186-Y216 HydrophobicContact CB-CD2 4.18Å; L186-Y216 HydrophobicContact CB-CE1 4.36Å; L186-Y216 HydrophobicContact CB-CG 3.71Å; L212-Y216 WeakPolarHBondContact O-CB 3.46Å; L212-Y216 PolarHBondContact O-N 2.95Å; Q213-Y216 PolarHBondContact O-N 3.1Å; Y216-A218 VanDerWaalsContact C-N 3.32Å; Y216-A218 PolarHBondContact O-N 3.46Å; Y216-F219 WeakPolarHBondContact O-CB 3.37Å; Y216-F219 PolarHBondContact O-N 3.1Å; Y216-I220 HydrophobicContact CD1-CG1 4.28Å; Y216-I220 HydrophobicContact CE1-CD1 4.45Å; Y216-I220 HydrophobicContact CE1-CG1 3.76Å; Y216-I220 HydrophobicContact CE2-CD1 4.32Å; Y216-I220 HydrophobicContact CE2-CG1 4.23Å; Y216-I220 WeakPolarHBondContact O-CG1 3.26Å; Y216-I220 PolarHBondContact O-N 3.44Å
217	R	98.2	Very high	97.5	Very high	114 Å²	114	31.9 Å²	31.9	43%	0.43	15%	0.145	S	C	.	.	H	α-helix	trans	-57.9	-46	173.7	-177	177.1	62.5	176.5	0.7	111.3	F38 Q213 R214 F219 I220 E221	F38-R217 HydrophobicContact CD1-CG 4.19Å; F38-R217 HydrophobicContact CE1-CG 4.47Å; F38-R217 PolarHBondContact O-NH2 3.05Å; Q213-R217 WeakPolarHBondContact O-CB 3.44Å; Q213-R217 PolarHBondContact O-N 2.87Å; R214-R217 PolarHBondContact O-N 3.36Å; R217-F219 VanDerWaalsContact C-N 3.33Å; R217-F219 PolarHBondContact O-N 2.84Å; R217-I220 PolarHBondContact O-N 3.16Å; R217-E221 VanDerWaalsContact CD-OE1 3.27Å; R217-E221 WeakPolarHBondContact CD-OE1 3.46Å; R217-E221 HydrophobicContact CG-CG 4.21Å; R217-E221 WeakPolarHBondContact CG-OE1 3.36Å; R217-E221 WeakPolarHBondContact O-CB 3.23Å; R217-E221 PolarHBondContact O-N 3.4Å
218	A	98.1	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-42.9	176.4	0	0	0	0	0	111.8	L35 F38 R214 L215 Y216 I220 M222 I227	L35-A218 HydrophobicContact CD2-CB 4.09Å; F38-A218 HydrophobicContact CB-CB 3.95Å; F38-A218 HydrophobicContact CD1-CB 3.93Å; F38-A218 HydrophobicContact CD2-CB 3.59Å; F38-A218 HydrophobicContact CE1-CB 4.35Å; F38-A218 HydrophobicContact CE2-CB 4.07Å; F38-A218 HydrophobicContact CG-CB 3.52Å; F38-A218 HydrophobicContact CZ-CB 4.42Å; R214-A218 WeakPolarHBondContact O-CB 3.28Å; R214-A218 PolarHBondContact O-N 3.02Å; L215-A218 WeakPolarHBondContact O-CB 3.46Å; L215-A218 PolarHBondContact O-N 3.05Å; Y216-A218 VanDerWaalsContact C-N 3.32Å; Y216-A218 PolarHBondContact O-N 3.46Å; A218-I220 PolarHBondContact O-N 3.13Å; A218-M222 HydrophobicContact CB-CE 3.8Å; A218-M222 VanDerWaalsContact O-CB 3.28Å; A218-M222 WeakPolarHBondContact O-CB 2.94Å; A218-M222 WeakPolarHBondContact O-CE 3.49Å; A218-M222 WeakPolarHBondContact O-CG 3.37Å; A218-M222 PolarHBondContact O-N 2.87Å; A218-I227 HydrophobicContact CB-CD1 4.19Å
219	F	98	Very high	97.5	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-46.6	177.5	173.1	-90.5	0	0	0	112.2	I143 L145 P152 L215 Y216 R217 A224 I227	I143-F219 HydrophobicContact CB-CB 4.47Å; I143-F219 HydrophobicContact CB-CD2 3.92Å; I143-F219 HydrophobicContact CB-CE2 4.37Å; I143-F219 HydrophobicContact CB-CG 4.23Å; I143-F219 HydrophobicContact CD1-CB 4.42Å; I143-F219 HydrophobicContact CG2-CB 4.03Å; I143-F219 HydrophobicContact CG2-CD1 3.83Å; I143-F219 HydrophobicContact CG2-CD2 3.55Å; I143-F219 HydrophobicContact CG2-CE1 4.13Å; I143-F219 HydrophobicContact CG2-CE2 3.85Å; I143-F219 HydrophobicContact CG2-CG 3.54Å; I143-F219 HydrophobicContact CG2-CZ 4.12Å; L145-F219 HydrophobicContact CD2-CE1 3.94Å; L145-F219 HydrophobicContact CD2-CZ 3.65Å; L145-F219 HydrophobicContact CG-CZ 3.84Å; P152-F219 HydrophobicContact CB-CE1 3.94Å; P152-F219 HydrophobicContact CG-CE1 4.11Å; L215-F219 PolarHBondContact O-N 3.25Å; Y216-F219 WeakPolarHBondContact O-CB 3.37Å; Y216-F219 PolarHBondContact O-N 3.1Å; R217-F219 VanDerWaalsContact C-N 3.33Å; R217-F219 PolarHBondContact O-N 2.84Å; F219-A224 HydrophobicContact CB-CB 4.48Å; F219-A224 HydrophobicContact CD2-CB 3.78Å; F219-A224 HydrophobicContact CE2-CB 4.39Å; F219-A224 WeakPolarHBondContact CE2-O 3.27Å; F219-A224 HydrophobicContact CG-CB 4.3Å; F219-A224 WeakPolarHBondContact CZ-O 3.46Å; F219-A224 PolarHBondContact O-N 3.16Å; F219-I227 HydrophobicContact CB-CD1 3.73Å; F219-I227 HydrophobicContact CB-CG1 4.16Å; F219-I227 HydrophobicContact CD2-CG1 4.13Å
220	I	97.7	Very high	97.3	Very high	64 Å²	64	32.5 Å²	32.5	33%	0.328	15%	0.149	S	C	.	.	H	α-helix	trans	-70.9	-50.9	-179.8	-62.8	-63.8	0	0	0	111.4	P152 I182 Y216 R217 A218 M222 D223	P152-I220 HydrophobicContact CG-CD1 4.07Å; I182-I220 HydrophobicContact CG1-CD1 4.44Å; Y216-I220 HydrophobicContact CD1-CG1 4.28Å; Y216-I220 HydrophobicContact CE1-CD1 4.45Å; Y216-I220 HydrophobicContact CE1-CG1 3.76Å; Y216-I220 HydrophobicContact CE2-CD1 4.32Å; Y216-I220 HydrophobicContact CE2-CG1 4.23Å; Y216-I220 WeakPolarHBondContact O-CG1 3.26Å; Y216-I220 PolarHBondContact O-N 3.44Å; R217-I220 PolarHBondContact O-N 3.16Å; A218-I220 PolarHBondContact O-N 3.13Å; I220-M222 VanDerWaalsContact C-N 3.33Å; I220-M222 PolarHBondContact O-N 2.91Å; I220-D223 PolarHBondContact O-N 2.92Å
221	E	97.3	Very high	97.1	Very high	111 Å²	111	29 Å²	29	52%	0.519	13%	0.134	S	C	.	.	H	α-helix	trans	-70.5	-27	-172.9	-72.5	-173.8	-148.9	0	0	113.1	F38 R217 H257	F38-E221 HydrophobicContact CE1-CB 3.72Å; F38-E221 HydrophobicContact CE1-CG 4.3Å; F38-E221 WeakPolarHBondContact CE1-OE2 3.23Å; F38-E221 HydrophobicContact CZ-CB 3.97Å; R217-E221 VanDerWaalsContact CD-OE1 3.27Å; R217-E221 WeakPolarHBondContact CD-OE1 3.46Å; R217-E221 HydrophobicContact CG-CG 4.21Å; R217-E221 WeakPolarHBondContact CG-OE1 3.36Å; R217-E221 WeakPolarHBondContact O-CB 3.23Å; R217-E221 PolarHBondContact O-N 3.4Å; E221-H257 PolarHBondContact O-CE1 3.25Å; E221-H257 PolarHBondContact O-NE2 3.4Å
222	M	96.5	Very high	97	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.03	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.2	176.7	-61.4	-171.9	-64.5	0	0	114.2	L34 L35 F38 A218 I220 A224 I227 L247 F249 I260	L34-M222 HydrophobicContact CB-SD 3.94Å; L34-M222 HydrophobicContact CD1-SD 4.32Å; L34-M222 HydrophobicContact CG-SD 4.49Å; L35-M222 HydrophobicContact CD2-CE 4.44Å; F38-M222 HydrophobicContact CD2-SD 4.4Å; F38-M222 HydrophobicContact CE2-CE 4.26Å; F38-M222 HydrophobicContact CE2-CG 3.62Å; F38-M222 HydrophobicContact CE2-SD 3.6Å; F38-M222 VanDerWaalsContact CE2-SD 3.6Å; F38-M222 HydrophobicContact CZ-CG 3.68Å; F38-M222 HydrophobicContact CZ-SD 4.29Å; A218-M222 HydrophobicContact CB-CE 3.8Å; A218-M222 VanDerWaalsContact O-CB 3.28Å; A218-M222 WeakPolarHBondContact O-CB 2.94Å; A218-M222 WeakPolarHBondContact O-CE 3.49Å; A218-M222 WeakPolarHBondContact O-CG 3.37Å; A218-M222 PolarHBondContact O-N 2.87Å; I220-M222 VanDerWaalsContact C-N 3.33Å; I220-M222 PolarHBondContact O-N 2.91Å; M222-A224 PolarHBondContact O-N 2.94Å; M222-I227 HydrophobicContact CE-CD1 4.32Å; M222-L247 HydrophobicContact CE-CD2 3.66Å; M222-F249 HydrophobicContact CB-CD1 4.26Å; M222-F249 HydrophobicContact CB-CE1 3.96Å; M222-F249 HydrophobicContact CE-CE1 4.28Å; M222-F249 HydrophobicContact SD-CE1 4.11Å; M222-I260 HydrophobicContact CB-CD1 3.86Å; M222-I260 HydrophobicContact CG-CD1 3.92Å; M222-I260 HydrophobicContact SD-CD1 4.23Å
223	D	96.8	Very high	96.9	Very high	38 Å²	38	29 Å²	29	20%	0.203	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	45.3	-168.2	-71.4	-75.5	0	0	0	112.6	I220 D250 A253 R256 H257	I220-D223 PolarHBondContact O-N 2.92Å; D223-D250 PolarHBondContact O-N 3.2Å; D223-A253 HydrophobicContact CB-CB 3.44Å; D223-A253 VanDerWaalsContact CB-CB 3.44Å; D223-R256 IonicContact OD1-CZ 3.4Å; D223-R256 IonicContact OD1-NE 3.44Å; D223-R256 IonicContact OD1-NH2 3.48Å; D223-R256 PolarHBondContact OD1-NH2 2.72Å; D223-R256 IonicContact OD2-CZ 3.21Å; D223-R256 IonicContact OD2-NE 3.37Å; D223-R256 PolarHBondContact OD2-NE 3.29Å; D223-R256 IonicContact OD2-NH1 2.71Å; D223-R256 IonicContact OD2-NH2 2.64Å; D223-R256 PolarHBondContact OD2-NH2 3.07Å; D223-H257 IonicContact OD2-CD2 3.36Å; D223-H257 PolarHBondContact OD2-CD2 3.23Å; D223-H257 IonicContact OD2-CE1 3.05Å; D223-H257 IonicContact OD2-NE2 2.87Å; D223-H257 PolarHBondContact OD2-NE2 3.3Å
224	A	96.1	Very high	96.7	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.2	175.3	0	0	0	0	0	109.9	F219 M222 I227 R248	F219-A224 HydrophobicContact CB-CB 4.48Å; F219-A224 HydrophobicContact CD2-CB 3.78Å; F219-A224 HydrophobicContact CE2-CB 4.39Å; F219-A224 WeakPolarHBondContact CE2-O 3.27Å; F219-A224 HydrophobicContact CG-CB 4.3Å; F219-A224 WeakPolarHBondContact CZ-O 3.46Å; F219-A224 PolarHBondContact O-N 3.16Å; M222-A224 PolarHBondContact O-N 2.94Å; A224-I227 HydrophobicContact CB-CG1 4.1Å; A224-R248 CarbonylContact C-O 3.57Å; A224-R248 VanDerWaalsContact CA-O 3.23Å; A224-R248 WeakPolarHBondContact CA-O 3.35Å; A224-R248 WeakPolarHBondContact CB-O 3.46Å
225	T	95.2	Very high	96.4	Very high	8 Å²	8	24 Å²	24	5%	0.049	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-19.8	168.4	55.8	0	0	0	0	112	R248 D250	T225-R248 PolarHBondContact N-O 3.35Å; T225-R248 WeakPolarHBondContact OG1-CB 3.38Å; T225-R248 PolarHBondContact OG1-O 3.11Å; T225-D250 HydrophobicContact CG2-CB 3.85Å
226	Q	95.9	Very high	96	Very high	37 Å²	37	28.3 Å²	28.3	17%	0.173	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	135.7	175.5	173.5	172.2	-25.1	0	0	110.1	I143 L144 E228 L247 R248	I143-Q226 CarbonylContact O-C 3.58Å; I143-Q226 VanDerWaalsContact O-CA 3.27Å; I143-Q226 WeakPolarHBondContact O-CA 3.11Å; L144-Q226 HydrophobicContact CD2-CB 3.64Å; L144-Q226 HydrophobicContact CD2-CG 3.45Å; L144-Q226 VanDerWaalsContact CD2-CG 3.45Å; Q226-E228 HydrophobicContact CG-CB 4.41Å; Q226-E228 PolarHBondContact NE2-OE2 3.15Å; Q226-L247 CarbonylContact O-C 3.58Å; Q226-L247 WeakPolarHBondContact O-CA 3.39Å; Q226-R248 HydrophobicContact CB-CB 4.04Å; Q226-R248 HydrophobicContact CB-CG 4.18Å; Q226-R248 PolarHBondContact N-O 3.22Å; Q226-R248 PolarHBondContact O-N 2.9Å
227	I	97.4	Very high	95.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	156.4	-60.6	-168.1	0	0	0	106.7	L35 A142 I143 L215 A218 F219 M222 A224 I229 L247	L35-I227 HydrophobicContact CD2-CD1 4.28Å; A142-I227 CarbonylContact C-O 3.39Å; A142-I227 WeakPolarHBondContact CA-O 3.45Å; I143-I227 HydrophobicContact CB-CB 4.37Å; I143-I227 PolarHBondContact N-O 2.78Å; I143-I227 PolarHBondContact O-N 3.46Å; L215-I227 HydrophobicContact CD2-CG2 4.11Å; A218-I227 HydrophobicContact CB-CD1 4.19Å; F219-I227 HydrophobicContact CB-CD1 3.73Å; F219-I227 HydrophobicContact CB-CG1 4.16Å; F219-I227 HydrophobicContact CD2-CG1 4.13Å; M222-I227 HydrophobicContact CE-CD1 4.32Å; A224-I227 HydrophobicContact CB-CG1 4.1Å; I227-I229 HydrophobicContact CG2-CD1 4.05Å; I227-I229 HydrophobicContact CG2-CG1 4.29Å; I227-L247 HydrophobicContact CG1-CD1 4.48Å; I227-L247 HydrophobicContact CG1-CG 4.1Å; I227-L247 HydrophobicContact CG2-CD1 4.04Å
228	E	96.7	Very high	95.2	Very high	37 Å²	37	29.4 Å²	29.4	17%	0.173	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.1	176.1	-179.1	-172.1	170.6	0	0	109.1	Y140 Q226 A245 K246	Y140-E228 HydrophobicContact CE2-CG 3.84Å; Q226-E228 HydrophobicContact CG-CB 4.41Å; Q226-E228 PolarHBondContact NE2-OE2 3.15Å; E228-A245 WeakPolarHBondContact O-CA 3.44Å; E228-K246 HydrophobicContact CB-CB 4.33Å; E228-K246 PolarHBondContact N-O 3.24Å; E228-K246 PolarHBondContact O-N 3.37Å
229	I	96.9	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.3	177.3	-50.2	-58.1	0	0	0	108	L35 I141 L215 I227 F232 C242 D244 A245	L35-I229 HydrophobicContact CD1-CD1 3.8Å; I141-I229 HydrophobicContact CB-CB 4.31Å; I141-I229 PolarHBondContact N-O 2.69Å; I141-I229 VanDerWaalsContact N-O 3.12Å; I141-I229 PolarHBondContact O-N 3.33Å; L215-I229 HydrophobicContact CD1-CG1 4.27Å; L215-I229 HydrophobicContact CD2-CD1 4.11Å; L215-I229 HydrophobicContact CD2-CG1 4.05Å; I227-I229 HydrophobicContact CG2-CD1 4.05Å; I227-I229 HydrophobicContact CG2-CG1 4.29Å; I229-F232 HydrophobicContact CG2-CB 3.78Å; I229-F232 HydrophobicContact CG2-CD2 4.33Å; I229-C242 HydrophobicContact CD1-CB 4.26Å; I229-C242 HydrophobicContact CG2-CB 3.65Å; I229-D244 WeakPolarHBondContact CA-O 3.44Å; I229-A245 HydrophobicContact CD1-CB 3.78Å
230	N	94.2	Very high	94.9	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.16	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	98.1	-177.5	-168.6	9.4	0	0	0	112.3	Y140 G161 I162 D244	Y140-N230 HydrophobicContact CD2-CB 3.82Å; Y140-N230 HydrophobicContact CE2-CB 4.16Å; G161-N230 PolarHBondContact N-OD1 3.03Å; I162-N230 PolarHBondContact O-ND2 3.27Å; N230-D244 PolarHBondContact N-O 3.44Å; N230-D244 VanDerWaalsContact O-CB 3.24Å; N230-D244 WeakPolarHBondContact O-CB 3.4Å
231	P	94.2	Very high	94.7	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-91.8	151.9	7.2	33.5	-32	0	0	0	114.2	E138 T139 I233 V243	E138-P231 HydrophobicContact CB-CB 3.77Å; E138-P231 HydrophobicContact CG-CB 4.01Å; E138-P231 HydrophobicContact CG-CG 4.33Å; T139-P231 WeakPolarHBondContact O-CA 3.06Å; P231-I233 HydrophobicContact CB-CG2 3.78Å; P231-I233 HydrophobicContact CG-CG2 3.76Å; P231-V243 HydrophobicContact CG-CB 3.97Å; P231-V243 HydrophobicContact CG-CG1 4.16Å; P231-V243 HydrophobicContact CG-CG2 4.46Å; P231-V243 PolarHBondContact O-N 3.38Å
232	F	96.8	Very high	94.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.9	155	-179.3	-111.4	0	0	0	107.7	T139 I141 M198 F200 V208 Q211 I229 V240	T139-F232 PolarHBondContact N-O 3.5Å; T139-F232 PolarHBondContact O-N 3.23Å; T139-F232 WeakPolarHBondContact OG1-CD1 3.29Å; T139-F232 PolarHBondContact OG1-O 2.8Å; I141-F232 HydrophobicContact CD1-CB 3.87Å; I141-F232 HydrophobicContact CD1-CD1 3.56Å; I141-F232 HydrophobicContact CD1-CD2 4Å; I141-F232 HydrophobicContact CD1-CE1 3.99Å; I141-F232 HydrophobicContact CD1-CE2 4.39Å; I141-F232 HydrophobicContact CD1-CG 3.54Å; I141-F232 HydrophobicContact CD1-CZ 4.36Å; I141-F232 HydrophobicContact CG1-CB 4.22Å; I141-F232 HydrophobicContact CG1-CD1 4.42Å; I141-F232 HydrophobicContact CG1-CG 4.39Å; M198-F232 HydrophobicContact CE-CD1 4.04Å; F200-F232 HydrophobicContact CE2-CD1 4.27Å; F200-F232 HydrophobicContact CE2-CE1 4.11Å; F200-F232 AromaticContact CZ-CD1 3.87Å; F200-F232 HydrophobicContact CZ-CD1 3.87Å; F200-F232 AromaticContact CZ-CE1 3.69Å; F200-F232 HydrophobicContact CZ-CE1 3.69Å; V208-F232 HydrophobicContact CG1-CE1 4.06Å; V208-F232 HydrophobicContact CG2-CE1 4.23Å; Q211-F232 HydrophobicContact CB-CE2 4.33Å; Q211-F232 HydrophobicContact CB-CZ 4.09Å; Q211-F232 HydrophobicContact CG-CE2 4.46Å; Q211-F232 HydrophobicContact CG-CZ 4.25Å; I229-F232 HydrophobicContact CG2-CB 3.78Å; I229-F232 HydrophobicContact CG2-CD2 4.33Å; F232-V240 HydrophobicContact CE1-CB 3.99Å; F232-V240 HydrophobicContact CE1-CG1 4.1Å; F232-V240 HydrophobicContact CE1-CG2 4.45Å; F232-V240 HydrophobicContact CE2-CB 4.02Å; F232-V240 HydrophobicContact CE2-CG2 4.26Å; F232-V240 HydrophobicContact CZ-CB 3.49Å; F232-V240 VanDerWaalsContact CZ-CB 3.49Å; F232-V240 HydrophobicContact CZ-CG1 4.07Å; F232-V240 HydrophobicContact CZ-CG2 3.64Å
233	I	95	Very high	94.5	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.9	-167.2	67.8	169.6	0	0	0	112.6	V133 R137 E138 P231 T235 V240 C241 V243	V133-I233 HydrophobicContact CB-CD1 3.6Å; V133-I233 HydrophobicContact CG1-CD1 3.38Å; V133-I233 HydrophobicContact CG2-CD1 4.5Å; R137-I233 WeakPolarHBondContact O-CA 3.28Å; E138-I233 HydrophobicContact CG-CG2 4.08Å; P231-I233 HydrophobicContact CB-CG2 3.78Å; P231-I233 HydrophobicContact CG-CG2 3.76Å; I233-T235 HydrophobicContact CD1-CG2 4.04Å; I233-T235 HydrophobicContact CG1-CG2 4.19Å; I233-V240 VanDerWaalsContact O-CA 3.24Å; I233-V240 WeakPolarHBondContact O-CA 3.36Å; I233-C241 WeakPolarHBondContact CD1-SG 3.26Å; I233-C241 WeakPolarHBondContact CG1-SG 3.3Å; I233-C241 PolarHBondContact N-O 3.49Å; I233-C241 PolarHBondContact O-N 3.29Å; I233-V243 HydrophobicContact CB-CG2 4.27Å; I233-V243 HydrophobicContact CD1-CG2 3.42Å; I233-V243 VanDerWaalsContact CD1-CG2 3.42Å; I233-V243 HydrophobicContact CG1-CG2 3.65Å; I233-V243 HydrophobicContact CG2-CB 4.47Å; I233-V243 HydrophobicContact CG2-CG2 3.63Å
234	H	94.7	Very high	94.2	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.046	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.8	161.5	-172.2	-171.6	0	0	0	107.8	S135 L136 R137 F200 N238 K239	S135-H234 CarbonylContact C-O 3.57Å; S135-H234 WeakPolarHBondContact CA-O 3.47Å; L136-H234 PolarHBondContact N-O 3.26Å; R137-H234 HydrophobicContact CB-CB 4.19Å; R137-H234 PolarHBondContact N-O 3.03Å; R137-H234 PolarHBondContact O-N 3.08Å; F200-H234 HydrophobicContact CD1-CB 4.43Å; F200-H234 HydrophobicContact CE1-CB 3.71Å; H234-N238 PolarHBondContact CE1-OD1 3.48Å; H234-N238 PolarHBondContact NE2-OD1 3.13Å; H234-K239 PolarHBondContact CD2-O 3.44Å
235	T	92.5	Very high	94.1	Very high	5 Å²	5	28 Å²	28	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	160.4	-174.9	66	0	0	0	0	112.4	V133 D134 L136 I233 D237 N238 K239	V133-T235 HydrophobicContact CG1-CG2 3.34Å; D134-T235 WeakPolarHBondContact O-CA 3.25Å; L136-T235 VanDerWaalsContact CD1-O 3.3Å; L136-T235 WeakPolarHBondContact CD1-O 3.43Å; I233-T235 HydrophobicContact CD1-CG2 4.04Å; I233-T235 HydrophobicContact CG1-CG2 4.19Å; T235-D237 WeakPolarHBondContact CB-OD1 3.32Å; T235-D237 PolarHBondContact O-N 3.43Å; T235-D237 PolarHBondContact OG1-OD1 2.87Å; T235-N238 PolarHBondContact O-N 2.86Å; T235-K239 PolarHBondContact N-O 3.12Å; T235-K239 WeakPolarHBondContact OG1-CA 3.4Å; T235-K239 WeakPolarHBondContact OG1-CB 3.48Å; T235-K239 PolarHBondContact OG1-N 2.99Å; T235-K239 PolarHBondContact OG1-O 2.94Å; T235-K239 VanDerWaalsContact OG1-O 3.12Å
236	V	90.2	Very high	94	Very high	89 Å²	89	30.2 Å²	30.2	54%	0.539	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.3	175.7	-64	0	0	0	0	114.1	D134 L136 N238	D134-V236 HydrophobicContact CB-CG1 4Å; D134-V236 HydrophobicContact CB-CG2 3.93Å; D134-V236 PolarHBondContact O-N 2.79Å; D134-V236 VanDerWaalsContact O-N 3.08Å; L136-V236 HydrophobicContact CD2-CG1 3.87Å; L136-V236 HydrophobicContact CG-CB 4.49Å; L136-V236 HydrophobicContact CG-CG1 4.06Å; V236-N238 VanDerWaalsContact C-N 3.26Å; V236-N238 PolarHBondContact O-N 3.44Å
237	D	88.5	Confident	94	Very high	89 Å²	89	28.5 Å²	28.5	48%	0.476	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	18.2	174.4	70.1	-34.9	0	0	0	113.3	T235 K239	T235-D237 WeakPolarHBondContact CB-OD1 3.32Å; T235-D237 PolarHBondContact O-N 3.43Å; T235-D237 PolarHBondContact OG1-OD1 2.87Å; D237-K239 WeakPolarHBondContact OD2-CD 3.31Å; D237-K239 WeakPolarHBondContact OD2-CE 3.3Å; D237-K239 IonicContact OD2-NZ 3.9Å; D237-K239 PolarHBondContact OD2-NZ 3.1Å
238	N	90.7	Very high	93.8	Very high	65 Å²	65	32.4 Å²	32.4	35%	0.348	16%	0.164	S	C	.	.	S	Bend	trans	59.5	47	175.9	-151.7	44.8	0	0	0	113.7	D203 M204 H234 T235 V236	D203-N238 PolarHBondContact OD2-ND2 3.09Å; M204-N238 HydrophobicContact SD-CB 4.41Å; M204-N238 PolarHBondContact SD-ND2 3.39Å; M204-N238 VanDerWaalsContact SD-ND2 3.42Å; M204-N238 PolarHBondContact SD-OD1 3.29Å; M204-N238 VanDerWaalsContact SD-OD1 3.32Å; H234-N238 PolarHBondContact CE1-OD1 3.48Å; H234-N238 PolarHBondContact NE2-OD1 3.13Å; T235-N238 PolarHBondContact O-N 2.86Å; V236-N238 VanDerWaalsContact C-N 3.26Å; V236-N238 PolarHBondContact O-N 3.44Å
239	K	93.2	Very high	93.7	Very high	113 Å²	113	30.7 Å²	30.7	49%	0.491	16%	0.155	S	C	.	.			trans	-122	170.8	171.8	-61.7	178.6	-176.1	144.2	0	110.2	H234 T235 D237	H234-K239 PolarHBondContact CD2-O 3.44Å; T235-K239 PolarHBondContact N-O 3.12Å; T235-K239 WeakPolarHBondContact OG1-CA 3.4Å; T235-K239 WeakPolarHBondContact OG1-CB 3.48Å; T235-K239 PolarHBondContact OG1-N 2.99Å; T235-K239 PolarHBondContact OG1-O 2.94Å; T235-K239 VanDerWaalsContact OG1-O 3.12Å; D237-K239 WeakPolarHBondContact OD2-CD 3.31Å; D237-K239 WeakPolarHBondContact OD2-CE 3.3Å; D237-K239 IonicContact OD2-NZ 3.9Å; D237-K239 PolarHBondContact OD2-NZ 3.1Å
240	V	95.7	Very high	93.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.7	169.2	-65.6	0	0	0	0	113.3	N41 F200 M204 E207 V208 Q211 F232 I233	N41-V240 WeakPolarHBondContact CB-O 3.38Å; N41-V240 PolarHBondContact ND2-O 2.88Å; F200-V240 HydrophobicContact CD1-CG1 4.43Å; F200-V240 HydrophobicContact CE1-CG1 3.6Å; F200-V240 HydrophobicContact CZ-CG1 4.13Å; M204-V240 HydrophobicContact CE-CG1 3.71Å; E207-V240 HydrophobicContact CG-CG2 3.9Å; E207-V240 WeakPolarHBondContact OE1-CG2 3.4Å; E207-V240 PolarHBondContact OE1-N 3.15Å; V208-V240 HydrophobicContact CG2-CG1 3.87Å; Q211-V240 HydrophobicContact CG-CG2 3.8Å; F232-V240 HydrophobicContact CE1-CB 3.99Å; F232-V240 HydrophobicContact CE1-CG1 4.1Å; F232-V240 HydrophobicContact CE1-CG2 4.45Å; F232-V240 HydrophobicContact CE2-CB 4.02Å; F232-V240 HydrophobicContact CE2-CG2 4.26Å; F232-V240 HydrophobicContact CZ-CB 3.49Å; F232-V240 VanDerWaalsContact CZ-CB 3.49Å; F232-V240 HydrophobicContact CZ-CG1 4.07Å; F232-V240 HydrophobicContact CZ-CG2 3.64Å; I233-V240 VanDerWaalsContact O-CA 3.24Å; I233-V240 WeakPolarHBondContact O-CA 3.36Å
241	C	94.6	Very high	93.3	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155	173.5	68.2	0	0	0	0	113.6	N41 I233	N41-C241 HydrophobicContact CB-CB 4.21Å; N41-C241 WeakPolarHBondContact O-CA 3.23Å; I233-C241 WeakPolarHBondContact CD1-SG 3.26Å; I233-C241 WeakPolarHBondContact CG1-SG 3.3Å; I233-C241 PolarHBondContact N-O 3.49Å; I233-C241 PolarHBondContact O-N 3.29Å
242	C	95.8	Very high	93.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.8	173	-56.8	0	0	0	0	110.1	V40 N41 V42 I229	V40-C242 WeakPolarHBondContact CG1-SG 3.22Å; N41-C242 PolarHBondContact O-N 3.43Å; V42-C242 HydrophobicContact CG1-CB 4.22Å; I229-C242 HydrophobicContact CD1-CB 4.26Å; I229-C242 HydrophobicContact CG2-CB 3.65Å
243	V	92.7	Very high	93	Very high	26 Å²	26	33.9 Å²	33.9	16%	0.158	18%	0.175	C	C	.	.	S	Bend	trans	-89.9	-36.2	-178.2	169.3	0	0	0	0	112.7	K32 E43 K70 P231 I233	K32-V243 VanDerWaalsContact CE-O 3.29Å; K32-V243 WeakPolarHBondContact CE-O 3.33Å; K32-V243 PolarHBondContact NZ-O 3.17Å; E43-V243 WeakPolarHBondContact OE2-CA 3.48Å; E43-V243 WeakPolarHBondContact OE2-CB 3.39Å; E43-V243 VanDerWaalsContact OE2-CG1 3.28Å; E43-V243 WeakPolarHBondContact OE2-CG1 3.37Å; E43-V243 WeakPolarHBondContact OE2-CG2 3.25Å; K70-V243 PolarHBondContact NZ-O 3.41Å; P231-V243 HydrophobicContact CG-CB 3.97Å; P231-V243 HydrophobicContact CG-CG1 4.16Å; P231-V243 HydrophobicContact CG-CG2 4.46Å; P231-V243 PolarHBondContact O-N 3.38Å; I233-V243 HydrophobicContact CB-CG2 4.27Å; I233-V243 HydrophobicContact CD1-CG2 3.42Å; I233-V243 VanDerWaalsContact CD1-CG2 3.42Å; I233-V243 HydrophobicContact CG1-CG2 3.65Å; I233-V243 HydrophobicContact CG2-CB 4.47Å; I233-V243 HydrophobicContact CG2-CG2 3.63Å
244	D	92.4	Very high	92.9	Very high	44 Å²	44	35 Å²	35	24%	0.235	18%	0.184	C	C	.	.			trans	-131.2	143.9	171.2	-159.3	-10.7	0	0	0	108.8	E28 R78 I229 N230	E28-D244 VanDerWaalsContact CD-OD1 3.26Å; E28-D244 WeakPolarHBondContact CG-OD1 3.17Å; R78-D244 IonicContact NH2-OD1 3.2Å; R78-D244 PolarHBondContact NH2-OD1 2.7Å; R78-D244 IonicContact NH2-OD2 2.63Å; R78-D244 PolarHBondContact NH2-OD2 2.8Å; I229-D244 WeakPolarHBondContact CA-O 3.44Å; N230-D244 PolarHBondContact N-O 3.44Å; N230-D244 VanDerWaalsContact O-CB 3.24Å; N230-D244 WeakPolarHBondContact O-CB 3.4Å
245	A	93.6	Very high	92.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	119.5	-177	0	0	0	0	0	110.7	N31 K32 L35 E228 I229 L247	N31-A245 HydrophobicContact CB-CB 4.19Å; N31-A245 WeakPolarHBondContact CB-O 3.39Å; N31-A245 PolarHBondContact ND2-O 3.39Å; K32-A245 HydrophobicContact CG-CB 4.37Å; L35-A245 HydrophobicContact CD1-CB 3.69Å; E228-A245 WeakPolarHBondContact O-CA 3.44Å; I229-A245 HydrophobicContact CD1-CB 3.78Å; A245-L247 HydrophobicContact CB-CD1 4.26Å
246	K	93.4	Very high	93	Very high	56 Å²	56	48.4 Å²	48.4	24%	0.243	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.7	175.3	-172.3	174.7	-173.6	175.1	0	109.9	E228	E228-K246 HydrophobicContact CB-CB 4.33Å; E228-K246 PolarHBondContact N-O 3.24Å; E228-K246 PolarHBondContact O-N 3.37Å
247	L	95	Very high	93.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.5	178.4	-77.8	50.7	0	0	0	109.6	N31 L35 M222 Q226 I227 A245 F249	N31-L247 HydrophobicContact CB-CD1 3.96Å; N31-L247 HydrophobicContact CB-CD2 4.26Å; N31-L247 HydrophobicContact CB-CG 4.46Å; N31-L247 PolarHBondContact ND2-N 3.22Å; L35-L247 HydrophobicContact CD1-CD1 4.17Å; L35-L247 HydrophobicContact CD2-CD1 4.5Å; L35-L247 HydrophobicContact CD2-CD2 4.15Å; L35-L247 HydrophobicContact CG-CD1 4.4Å; L35-L247 HydrophobicContact CG-CD2 4.25Å; M222-L247 HydrophobicContact CE-CD2 3.66Å; Q226-L247 CarbonylContact O-C 3.58Å; Q226-L247 WeakPolarHBondContact O-CA 3.39Å; I227-L247 HydrophobicContact CG1-CD1 4.48Å; I227-L247 HydrophobicContact CG1-CG 4.1Å; I227-L247 HydrophobicContact CG2-CD1 4.04Å; A245-L247 HydrophobicContact CB-CD1 4.26Å; L247-F249 HydrophobicContact CB-CE1 4.5Å; L247-F249 HydrophobicContact CB-CE2 3.92Å; L247-F249 HydrophobicContact CB-CZ 3.74Å; L247-F249 HydrophobicContact CD2-CE1 4.4Å; L247-F249 HydrophobicContact CD2-CZ 3.88Å; L247-F249 HydrophobicContact CG-CZ 4.4Å
248	R	93.5	Very high	93.5	Very high	83 Å²	83	46 Å²	46	31%	0.313	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.7	165.5	-60.3	-177.7	178.9	-120	7.2	108.6	H25 A224 T225 Q226	H25-R248 PolarHBondContact CE1-NH1 3.08Å; A224-R248 CarbonylContact C-O 3.57Å; A224-R248 VanDerWaalsContact CA-O 3.23Å; A224-R248 WeakPolarHBondContact CA-O 3.35Å; A224-R248 WeakPolarHBondContact CB-O 3.46Å; T225-R248 PolarHBondContact N-O 3.35Å; T225-R248 WeakPolarHBondContact OG1-CB 3.38Å; T225-R248 PolarHBondContact OG1-O 3.11Å; Q226-R248 HydrophobicContact CB-CB 4.04Å; Q226-R248 HydrophobicContact CB-CG 4.18Å; Q226-R248 PolarHBondContact N-O 3.22Å; Q226-R248 PolarHBondContact O-N 2.9Å
249	F	94.8	Very high	93.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	157.9	-177	-54	-86.3	0	0	0	110.6	L24 L26 L34 M222 L247 I260 F261	L24-F249 HydrophobicContact CB-CD2 4.49Å; L24-F249 HydrophobicContact CD2-CB 4.27Å; L24-F249 HydrophobicContact CD2-CD2 3.75Å; L24-F249 HydrophobicContact CD2-CE2 4.46Å; L24-F249 HydrophobicContact CD2-CG 4.19Å; L24-F249 HydrophobicContact CG-CD2 4.05Å; L26-F249 HydrophobicContact CD1-CE2 3.66Å; L26-F249 HydrophobicContact CD1-CZ 4.07Å; L26-F249 HydrophobicContact CG-CE2 4.04Å; L34-F249 HydrophobicContact CD1-CE1 4.41Å; L34-F249 HydrophobicContact CD1-CZ 3.75Å; M222-F249 HydrophobicContact CB-CD1 4.26Å; M222-F249 HydrophobicContact CB-CE1 3.96Å; M222-F249 HydrophobicContact CE-CE1 4.28Å; M222-F249 HydrophobicContact SD-CE1 4.11Å; L247-F249 HydrophobicContact CB-CE1 4.5Å; L247-F249 HydrophobicContact CB-CE2 3.92Å; L247-F249 HydrophobicContact CB-CZ 3.74Å; L247-F249 HydrophobicContact CD2-CE1 4.4Å; L247-F249 HydrophobicContact CD2-CZ 3.88Å; L247-F249 HydrophobicContact CG-CZ 4.4Å; F249-I260 HydrophobicContact CD1-CD1 4.46Å; F249-I260 HydrophobicContact CD1-CG2 4.04Å; F249-I260 HydrophobicContact CD2-CG2 4.2Å; F249-I260 HydrophobicContact CE1-CD1 4.18Å; F249-I260 HydrophobicContact CE1-CG2 3.87Å; F249-I260 HydrophobicContact CE2-CG2 4.06Å; F249-I260 HydrophobicContact CG-CG2 4.19Å; F249-I260 HydrophobicContact CZ-CG2 3.88Å; F249-F261 HydrophobicContact CB-CZ 4.43Å
250	D	93.7	Very high	93.7	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	20%	0.204	C	C	.	.			trans	-82.4	114.5	169.1	-176.4	11.8	0	0	0	109.5	S20 D223 T225 S252 A253	S20-D250 PolarHBondContact OG-OD1 3.23Å; D223-D250 PolarHBondContact O-N 3.2Å; T225-D250 HydrophobicContact CG2-CB 3.85Å; D250-S252 PolarHBondContact O-N 3.05Å; D250-S252 VanDerWaalsContact O-N 3.12Å; D250-S252 VanDerWaalsContact OD1-CB 3.23Å; D250-S252 WeakPolarHBondContact OD1-CB 3.39Å; D250-S252 PolarHBondContact OD1-N 3.25Å; D250-S252 PolarHBondContact OD1-OG 2.77Å; D250-S252 WeakPolarHBondContact OD2-CB 3.39Å; D250-A253 HydrophobicContact CB-CB 4.37Å; D250-A253 WeakPolarHBondContact O-CB 3.39Å; D250-A253 PolarHBondContact O-N 3.31Å
251	D	88.3	Confident	93.5	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.144	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62	-23	177	-57.2	-21.7	0	0	0	111.6	V21 R22 L23 L24 A253 A254 F261	V21-D251 VanDerWaalsContact C-CG 3.41Å; V21-D251 HydrophobicContact CB-CB 4.06Å; V21-D251 WeakPolarHBondContact CB-OD2 3.39Å; V21-D251 VanDerWaalsContact CG1-OD2 3.23Å; V21-D251 WeakPolarHBondContact CG1-OD2 3.33Å; V21-D251 WeakPolarHBondContact O-CB 3.46Å; V21-D251 PolarHBondContact O-N 2.67Å; R22-D251 WeakPolarHBondContact CA-OD2 3.47Å; R22-D251 PolarHBondContact N-OD2 2.75Å; R22-D251 VanDerWaalsContact N-OD2 3.1Å; L23-D251 WeakPolarHBondContact CB-OD2 3.44Å; L23-D251 VanDerWaalsContact N-CG 3.3Å; L23-D251 PolarHBondContact N-OD1 3.02Å; L23-D251 PolarHBondContact N-OD2 3.05Å; L24-D251 PolarHBondContact N-OD1 2.99Å; L24-D251 VanDerWaalsContact N-OD1 3.13Å; D251-A253 PolarHBondContact O-N 2.74Å; D251-A254 VanDerWaalsContact O-CB 3.22Å; D251-A254 WeakPolarHBondContact O-CB 3.17Å; D251-A254 PolarHBondContact O-N 3.02Å; D251-A254 VanDerWaalsContact O-N 3.11Å; D251-F261 HydrophobicContact CB-CE1 4.19Å; D251-F261 HydrophobicContact CB-CZ 4.48Å
252	S	90.7	Very high	93.4	Very high	42 Å²	42	48.8 Å²	48.8	29%	0.294	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.5	-19.5	175.8	-35.3	0	0	0	0	112.4	D250 F255	D250-S252 PolarHBondContact O-N 3.05Å; D250-S252 VanDerWaalsContact O-N 3.12Å; D250-S252 VanDerWaalsContact OD1-CB 3.23Å; D250-S252 WeakPolarHBondContact OD1-CB 3.39Å; D250-S252 PolarHBondContact OD1-N 3.25Å; D250-S252 PolarHBondContact OD1-OG 2.77Å; D250-S252 WeakPolarHBondContact OD2-CB 3.39Å; S252-F255 VanDerWaalsContact O-CD1 3.22Å; S252-F255 WeakPolarHBondContact O-CD1 3.47Å; S252-F255 VanDerWaalsContact O-CE1 3.22Å; S252-F255 WeakPolarHBondContact O-CE1 3.49Å
253	A	94.4	Very high	93.2	Very high	2 Å²	2	51.7 Å²	51.7	2%	0.017	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-93.6	2.2	176.8	0	0	0	0	0	113.4	D223 D250 D251 F255 R256	D223-A253 HydrophobicContact CB-CB 3.44Å; D223-A253 VanDerWaalsContact CB-CB 3.44Å; D250-A253 HydrophobicContact CB-CB 4.37Å; D250-A253 WeakPolarHBondContact O-CB 3.39Å; D250-A253 PolarHBondContact O-N 3.31Å; D251-A253 PolarHBondContact O-N 2.74Å; A253-F255 PolarHBondContact O-N 3.03Å; A253-F255 VanDerWaalsContact O-N 3.07Å; A253-R256 WeakPolarHBondContact O-CG 3.35Å; A253-R256 PolarHBondContact O-N 2.84Å
254	A	92.1	Very high	92.9	Very high	25 Å²	25	54.1 Å²	54.1	21%	0.207	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-53.5	-34.9	-177.4	0	0	0	0	0	113.7	D251 R256 H257 F261	D251-A254 VanDerWaalsContact O-CB 3.22Å; D251-A254 WeakPolarHBondContact O-CB 3.17Å; D251-A254 PolarHBondContact O-N 3.02Å; D251-A254 VanDerWaalsContact O-N 3.11Å; A254-R256 PolarHBondContact O-N 2.99Å; A254-H257 PolarHBondContact O-N 3.47Å; A254-H257 VanDerWaalsContact O-N 3.17Å; A254-F261 VanDerWaalsContact CA-CE2 3.48Å; A254-F261 HydrophobicContact CB-CD1 3.72Å; A254-F261 HydrophobicContact CB-CD2 3.8Å; A254-F261 HydrophobicContact CB-CE1 3.68Å; A254-F261 HydrophobicContact CB-CE2 3.77Å; A254-F261 HydrophobicContact CB-CG 3.8Å; A254-F261 HydrophobicContact CB-CZ 3.73Å
255	F	94	Very high	92.6	Very high	160 Å²	160	54.4 Å²	54.4	70%	0.702	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.9	-17.3	-179.6	72.3	-90.2	0	0	0	114.6	S252 A253	S252-F255 VanDerWaalsContact O-CD1 3.22Å; S252-F255 WeakPolarHBondContact O-CD1 3.47Å; S252-F255 VanDerWaalsContact O-CE1 3.22Å; S252-F255 WeakPolarHBondContact O-CE1 3.49Å; A253-F255 PolarHBondContact O-N 3.03Å; A253-F255 VanDerWaalsContact O-N 3.07Å
256	R	96.1	Very high	91.9	Very high	137 Å²	137	58 Å²	58	52%	0.517	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-120.3	4.8	179.9	60.1	172.8	174.1	-169.1	-7.3	114.2	D223 A253 A254	D223-R256 IonicContact OD1-CZ 3.4Å; D223-R256 IonicContact OD1-NE 3.44Å; D223-R256 IonicContact OD1-NH2 3.48Å; D223-R256 PolarHBondContact OD1-NH2 2.72Å; D223-R256 IonicContact OD2-CZ 3.21Å; D223-R256 IonicContact OD2-NE 3.37Å; D223-R256 PolarHBondContact OD2-NE 3.29Å; D223-R256 IonicContact OD2-NH1 2.71Å; D223-R256 IonicContact OD2-NH2 2.64Å; D223-R256 PolarHBondContact OD2-NH2 3.07Å; A253-R256 WeakPolarHBondContact O-CG 3.35Å; A253-R256 PolarHBondContact O-N 2.84Å; A254-R256 PolarHBondContact O-N 2.99Å
257	H	95.2	Very high	91.3	Very high	19 Å²	19	59.3 Å²	59.3	9%	0.088	29%	0.285	C	S	.	.			trans	-135.4	40.9	-178.9	-67.4	-54.2	0	0	0	111.6	E221 D223 A254 E259 I260 F261	E221-H257 PolarHBondContact O-CE1 3.25Å; E221-H257 PolarHBondContact O-NE2 3.4Å; D223-H257 IonicContact OD2-CD2 3.36Å; D223-H257 PolarHBondContact OD2-CD2 3.23Å; D223-H257 IonicContact OD2-CE1 3.05Å; D223-H257 IonicContact OD2-NE2 2.87Å; D223-H257 PolarHBondContact OD2-NE2 3.3Å; A254-H257 PolarHBondContact O-N 3.47Å; A254-H257 VanDerWaalsContact O-N 3.17Å; H257-E259 VanDerWaalsContact C-OE2 3.28Å; H257-E259 IonicContact ND1-OE1 3.36Å; H257-E259 PolarHBondContact O-N 3.27Å; H257-E259 VanDerWaalsContact O-N 3.12Å; H257-I260 HydrophobicContact CB-CB 4.27Å; H257-I260 HydrophobicContact CB-CD1 4.12Å; H257-I260 HydrophobicContact CB-CG1 4.25Å; H257-I260 PolarHBondContact O-N 3.28Å; H257-F261 HydrophobicContact CB-CD2 4.22Å; H257-F261 HydrophobicContact CB-CE2 4.32Å; H257-F261 WeakPolarHBondContact O-CD2 3.44Å; H257-F261 PolarHBondContact O-N 2.88Å; H257-F261 VanDerWaalsContact O-N 3.14Å
258	Q	93.7	Very high	90.5	Very high	108 Å²	108	60.9 Å²	60.9	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-54.3	-37.6	-174.1	-169.7	62.9	50.2	0	0	111.5	I260 F261 D262	Q258-I260 VanDerWaalsContact C-N 3.26Å; Q258-I260 PolarHBondContact O-N 2.85Å; Q258-F261 PolarHBondContact O-N 3.24Å; Q258-D262 PolarHBondContact NE2-OD1 3.47Å; Q258-D262 VanDerWaalsContact O-CB 3.3Å; Q258-D262 WeakPolarHBondContact O-CB 3.27Å; Q258-D262 PolarHBondContact O-N 3.46Å
259	E	93.5	Very high	89.7	Confident	108 Å²	108	58.8 Å²	58.8	51%	0.505	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-26.3	176.9	72.2	-74.6	-179.5	0	0	114.5	H257 L263	H257-E259 VanDerWaalsContact C-OE2 3.28Å; H257-E259 IonicContact ND1-OE1 3.36Å; H257-E259 PolarHBondContact O-N 3.27Å; H257-E259 VanDerWaalsContact O-N 3.12Å; E259-L263 WeakPolarHBondContact O-CG 3.44Å
260	I	94.3	Very high	88.9	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-83	-42.3	174.1	-57.2	-177	0	0	0	109.4	L24 L26 L34 M222 F249 H257 Q258 D262 L263	L24-I260 HydrophobicContact CD2-CG2 3.86Å; L26-I260 HydrophobicContact CD1-CG2 4.05Å; L34-I260 HydrophobicContact CD1-CG2 4.22Å; L34-I260 HydrophobicContact CD2-CG1 4.28Å; M222-I260 HydrophobicContact CB-CD1 3.86Å; M222-I260 HydrophobicContact CG-CD1 3.92Å; M222-I260 HydrophobicContact SD-CD1 4.23Å; F249-I260 HydrophobicContact CD1-CD1 4.46Å; F249-I260 HydrophobicContact CD1-CG2 4.04Å; F249-I260 HydrophobicContact CD2-CG2 4.2Å; F249-I260 HydrophobicContact CE1-CD1 4.18Å; F249-I260 HydrophobicContact CE1-CG2 3.87Å; F249-I260 HydrophobicContact CE2-CG2 4.06Å; F249-I260 HydrophobicContact CG-CG2 4.19Å; F249-I260 HydrophobicContact CZ-CG2 3.88Å; H257-I260 HydrophobicContact CB-CB 4.27Å; H257-I260 HydrophobicContact CB-CD1 4.12Å; H257-I260 HydrophobicContact CB-CG1 4.25Å; H257-I260 PolarHBondContact O-N 3.28Å; Q258-I260 VanDerWaalsContact C-N 3.26Å; Q258-I260 PolarHBondContact O-N 2.85Å; I260-D262 VanDerWaalsContact C-N 3.33Å; I260-D262 PolarHBondContact O-N 3.42Å; I260-L263 VanDerWaalsContact O-CB 3.3Å; I260-L263 WeakPolarHBondContact O-CB 3.39Å; I260-L263 PolarHBondContact O-N 2.69Å
261	F	92	Very high	88.5	Confident	29 Å²	29	64.1 Å²	64.1	13%	0.127	32%	0.321	C	S	.	.	H	α-helix	trans	-71.2	-27.8	-179.5	-78.5	-98.5	0	0	0	112.7	L24 F249 D251 A254 H257 Q258 L263 R264	L24-F261 HydrophobicContact CB-CD1 4.42Å; L24-F261 HydrophobicContact CB-CE1 3.91Å; L24-F261 HydrophobicContact CB-CZ 4.32Å; L24-F261 HydrophobicContact CD2-CD1 3.88Å; L24-F261 HydrophobicContact CD2-CD2 4.03Å; L24-F261 HydrophobicContact CD2-CE1 3.86Å; L24-F261 HydrophobicContact CD2-CE2 4.01Å; L24-F261 HydrophobicContact CD2-CG 3.95Å; L24-F261 HydrophobicContact CD2-CZ 3.91Å; L24-F261 HydrophobicContact CG-CE1 4.44Å; F249-F261 HydrophobicContact CB-CZ 4.43Å; D251-F261 HydrophobicContact CB-CE1 4.19Å; D251-F261 HydrophobicContact CB-CZ 4.48Å; A254-F261 VanDerWaalsContact CA-CE2 3.48Å; A254-F261 HydrophobicContact CB-CD1 3.72Å; A254-F261 HydrophobicContact CB-CD2 3.8Å; A254-F261 HydrophobicContact CB-CE1 3.68Å; A254-F261 HydrophobicContact CB-CE2 3.77Å; A254-F261 HydrophobicContact CB-CG 3.8Å; A254-F261 HydrophobicContact CB-CZ 3.73Å; H257-F261 HydrophobicContact CB-CD2 4.22Å; H257-F261 HydrophobicContact CB-CE2 4.32Å; H257-F261 WeakPolarHBondContact O-CD2 3.44Å; H257-F261 PolarHBondContact O-N 2.88Å; H257-F261 VanDerWaalsContact O-N 3.14Å; Q258-F261 PolarHBondContact O-N 3.24Å; F261-L263 PolarHBondContact O-N 3Å; F261-R264 WeakPolarHBondContact O-CB 3.38Å; F261-R264 PolarHBondContact O-N 3.12Å; F261-R264 VanDerWaalsContact O-N 3.12Å
262	D	91.8	Very high	88.4	Confident	111 Å²	111	65.3 Å²	65.3	59%	0.594	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.2	172.8	-72.2	-13.4	0	0	0	112.8	Q258 I260 R264	Q258-D262 PolarHBondContact NE2-OD1 3.47Å; Q258-D262 VanDerWaalsContact O-CB 3.3Å; Q258-D262 WeakPolarHBondContact O-CB 3.27Å; Q258-D262 PolarHBondContact O-N 3.46Å; I260-D262 VanDerWaalsContact C-N 3.33Å; I260-D262 PolarHBondContact O-N 3.42Å; D262-R264 PolarHBondContact O-N 3.03Å
263	L	92	Very high	88.2	Confident	61 Å²	61	65.8 Å²	65.8	32%	0.319	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12	173.5	-62.5	175.1	0	0	0	112.8	L26 Q30 L34 E259 I260 F261 N265	L26-L263 HydrophobicContact CD1-CB 4.26Å; L26-L263 HydrophobicContact CD1-CD1 3.99Å; L26-L263 HydrophobicContact CD2-CB 3.63Å; Q30-L263 PolarHBondContact NE2-O 3.4Å; L34-L263 HydrophobicContact CD1-CD1 4.31Å; L34-L263 HydrophobicContact CD2-CD1 4.31Å; L34-L263 HydrophobicContact CG-CD1 4.41Å; E259-L263 WeakPolarHBondContact O-CG 3.44Å; I260-L263 VanDerWaalsContact O-CB 3.3Å; I260-L263 WeakPolarHBondContact O-CB 3.39Å; I260-L263 PolarHBondContact O-N 2.69Å; F261-L263 PolarHBondContact O-N 3Å; L263-N265 PolarHBondContact O-N 2.88Å
264	R	87.2	Confident	87.8	Confident	76 Å²	76	68.2 Å²	68.2	29%	0.287	33%	0.333	S	S	.	.			trans	-60	130.6	176.1	-175	-179.8	176.9	153.1	3.6	109.7	L24 F261 D262 D266 M269	L24-R264 HydrophobicContact CD1-CB 3.68Å; L24-R264 HydrophobicContact CD1-CG 4.05Å; F261-R264 WeakPolarHBondContact O-CB 3.38Å; F261-R264 PolarHBondContact O-N 3.12Å; F261-R264 VanDerWaalsContact O-N 3.12Å; D262-R264 PolarHBondContact O-N 3.03Å; R264-D266 IonicContact NE-OD1 2.73Å; R264-D266 PolarHBondContact NE-OD1 2.76Å; R264-M269 VanDerWaalsContact NH2-CE 3.31Å; R264-M269 PolarHBondContact NH2-SD 3.28Å
265	N	84.5	Confident	87.7	Confident	51 Å²	51	69.4 Å²	69.4	27%	0.273	33%	0.334	S	S	.	.			trans	-111.8	105.4	172.7	171.7	29.3	0	0	0	109.1	L263 L267 D268	L263-N265 PolarHBondContact O-N 2.88Å; N265-L267 PolarHBondContact O-N 3.37Å; N265-L267 VanDerWaalsContact OD1-CB 3.3Å; N265-L267 WeakPolarHBondContact OD1-CB 3.37Å; N265-L267 PolarHBondContact OD1-N 3.27Å; N265-D268 VanDerWaalsContact CB-OD2 3.28Å; N265-D268 WeakPolarHBondContact CB-OD2 3.32Å; N265-D268 VanDerWaalsContact ND2-CG 3.31Å; N265-D268 PolarHBondContact ND2-OD1 2.98Å; N265-D268 PolarHBondContact ND2-OD2 3.16Å; N265-D268 WeakPolarHBondContact O-CB 3.29Å; N265-D268 PolarHBondContact O-N 2.65Å
266	D	79.1	Confident	87.4	Confident	75 Å²	75	61.8 Å²	61.8	40%	0.401	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-58.1	-26.2	-178.4	-70	-20.4	0	0	0	112.5	R264 D268 M269 R274	R264-D266 IonicContact NE-OD1 2.73Å; R264-D266 PolarHBondContact NE-OD1 2.76Å; D266-D268 PolarHBondContact O-N 3.39Å; D266-M269 WeakPolarHBondContact O-CB 3.44Å; D266-M269 PolarHBondContact O-N 3.27Å; D266-R274 VanDerWaalsContact C-NE 3.34Å; D266-R274 HydrophobicContact CB-CG 4.16Å; D266-R274 PolarHBondContact O-NE 3.46Å; D266-R274 PolarHBondContact O-NH2 3.07Å
267	L	82	Confident	86.9	Confident	85 Å²	85	57.6 Å²	57.6	45%	0.445	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.4	-19.8	177.1	-62.8	-177.6	0	0	0	113.9	N265 R274	N265-L267 PolarHBondContact O-N 3.37Å; N265-L267 VanDerWaalsContact OD1-CB 3.3Å; N265-L267 WeakPolarHBondContact OD1-CB 3.37Å; N265-L267 PolarHBondContact OD1-N 3.27Å; L267-R274 PolarHBondContact O-NH2 2.93Å
268	D	77.6	Confident	86.6	Confident	34 Å²	34	63.3 Å²	63.3	18%	0.182	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-86.9	-10	179.3	-56.7	-39.7	0	0	0	112.9	H27 L74 N265 D266	H27-D268 IonicContact CD2-OD2 2.58Å; H27-D268 IonicContact CE1-OD2 3.56Å; H27-D268 IonicContact NE2-OD1 3.91Å; H27-D268 IonicContact NE2-OD2 2.94Å; H27-D268 PolarHBondContact NE2-OD2 3.09Å; L74-D268 HydrophobicContact CD1-CB 3.67Å; L74-D268 HydrophobicContact CG-CB 4.26Å; N265-D268 VanDerWaalsContact CB-OD2 3.28Å; N265-D268 WeakPolarHBondContact CB-OD2 3.32Å; N265-D268 VanDerWaalsContact ND2-CG 3.31Å; N265-D268 PolarHBondContact ND2-OD1 2.98Å; N265-D268 PolarHBondContact ND2-OD2 3.16Å; N265-D268 WeakPolarHBondContact O-CB 3.29Å; N265-D268 PolarHBondContact O-N 2.65Å; D266-D268 PolarHBondContact O-N 3.39Å
269	M	76.6	Confident	86.3	Confident	39 Å²	39	62 Å²	62	19%	0.192	31%	0.309	C	S	.	.	S	Bend	trans	-83.3	154	173.3	-59.7	175.7	67.9	0	0	112	R264 D266 E273 R274	R264-M269 VanDerWaalsContact NH2-CE 3.31Å; R264-M269 PolarHBondContact NH2-SD 3.28Å; D266-M269 WeakPolarHBondContact O-CB 3.44Å; D266-M269 PolarHBondContact O-N 3.27Å; M269-E273 HydrophobicContact CE-CB 4.28Å; M269-R274 HydrophobicContact CB-CB 4.35Å; M269-R274 PolarHBondContact O-NH2 3.15Å
270	N	78.9	Confident	86	Confident	60 Å²	60	60.4 Å²	60.4	32%	0.321	30%	0.303	S	S	.	.			trans	-52.2	130.4	165.3	-178.8	-44	0	0	0	109.6	I272 E273 R274 T285	N270-I272 PolarHBondContact O-N 3.42Å; N270-I272 WeakPolarHBondContact OD1-CB 3.36Å; N270-I272 PolarHBondContact OD1-N 3.02Å; N270-E273 HydrophobicContact CB-CB 4.12Å; N270-E273 HydrophobicContact CB-CG 3.94Å; N270-E273 PolarHBondContact O-N 2.99Å; N270-E273 VanDerWaalsContact O-N 3.12Å; N270-R274 PolarHBondContact O-N 3.25Å; N270-T285 PolarHBondContact ND2-OG1 3.19Å
271	P	84.3	Confident	85.8	Confident	93 Å²	93	60.5 Å²	60.5	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-53.6	-36.8	-179	-27.6	35	0	0	0	114.2	E275	P271-E275 WeakPolarHBondContact O-CB 3.35Å; P271-E275 PolarHBondContact O-N 2.98Å
272	I	86	Confident	85.7	Confident	51 Å²	51	60.6 Å²	60.6	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-68.6	-46.3	179.1	-57.5	178.6	0	0	0	110.2	N270 R274 E275 A276 Y283 I335	N270-I272 PolarHBondContact O-N 3.42Å; N270-I272 WeakPolarHBondContact OD1-CB 3.36Å; N270-I272 PolarHBondContact OD1-N 3.02Å; I272-R274 VanDerWaalsContact C-N 3.32Å; I272-R274 PolarHBondContact O-N 2.89Å; I272-E275 PolarHBondContact O-N 3.29Å; I272-A276 WeakPolarHBondContact O-CB 3.43Å; I272-A276 PolarHBondContact O-N 3.46Å; I272-Y283 HydrophobicContact CB-CE1 4.33Å; I272-Y283 HydrophobicContact CG2-CD1 3.87Å; I272-Y283 HydrophobicContact CG2-CE1 3.46Å; I272-Y283 VanDerWaalsContact CG2-CE1 3.46Å; I272-Y283 HydrophobicContact CG2-CE2 4.49Å; I272-I335 HydrophobicContact CG2-CG2 3.51Å
273	E	86.6	Confident	85.7	Confident	52 Å²	52	55.9 Å²	55.9	24%	0.243	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-37.4	178.2	-65.1	177.7	-166.8	0	0	111.8	M269 N270 A276 S277 Y283 T285	M269-E273 HydrophobicContact CE-CB 4.28Å; N270-E273 HydrophobicContact CB-CB 4.12Å; N270-E273 HydrophobicContact CB-CG 3.94Å; N270-E273 PolarHBondContact O-N 2.99Å; N270-E273 VanDerWaalsContact O-N 3.12Å; E273-A276 PolarHBondContact O-N 2.89Å; E273-S277 WeakPolarHBondContact O-CB 3.22Å; E273-S277 PolarHBondContact O-N 3.45Å; E273-Y283 HydrophobicContact CG-CD1 3.95Å; E273-Y283 WeakPolarHBondContact CG-O 3.41Å; E273-T285 PolarHBondContact OE1-N 2.87Å
274	R	86.4	Confident	85.6	Confident	54 Å²	54	57 Å²	57	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-47.5	172.6	-172.1	-169.6	-52.7	153.3	17.2	111.1	D266 L267 M269 N270 I272 S277	D266-R274 VanDerWaalsContact C-NE 3.34Å; D266-R274 HydrophobicContact CB-CG 4.16Å; D266-R274 PolarHBondContact O-NE 3.46Å; D266-R274 PolarHBondContact O-NH2 3.07Å; L267-R274 PolarHBondContact O-NH2 2.93Å; M269-R274 HydrophobicContact CB-CB 4.35Å; M269-R274 PolarHBondContact O-NH2 3.15Å; N270-R274 PolarHBondContact O-N 3.25Å; I272-R274 VanDerWaalsContact C-N 3.32Å; I272-R274 PolarHBondContact O-N 2.89Å; R274-S277 PolarHBondContact O-N 2.89Å; R274-S277 PolarHBondContact O-OG 2.85Å
275	E	88.8	Confident	85.7	Confident	49 Å²	49	55 Å²	55	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.1	178.8	-172.5	64.6	-176.2	0	0	111.5	P271 I272 S277 K278 Y279 R334 I335	P271-E275 WeakPolarHBondContact O-CB 3.35Å; P271-E275 PolarHBondContact O-N 2.98Å; I272-E275 PolarHBondContact O-N 3.29Å; E275-S277 VanDerWaalsContact C-N 3.28Å; E275-S277 PolarHBondContact O-N 3.12Å; E275-K278 WeakPolarHBondContact O-CB 2.95Å; E275-K278 PolarHBondContact O-N 2.9Å; E275-K278 WeakPolarHBondContact OE2-CD 3.35Å; E275-K278 WeakPolarHBondContact OE2-CE 3.38Å; E275-K278 IonicContact OE2-NZ 3.59Å; E275-K278 PolarHBondContact OE2-NZ 3.34Å; E275-Y279 WeakPolarHBondContact O-CD2 3.41Å; E275-R334 IonicContact OE1-NH2 3.95Å; E275-R334 PolarHBondContact OE1-NH2 2.92Å; E275-I335 HydrophobicContact CG-CD1 4.49Å
276	A	88.5	Confident	86.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-42	174.9	0	0	0	0	0	112.2	I272 E273 K278 Y279 L281 Y283 I335	I272-A276 WeakPolarHBondContact O-CB 3.43Å; I272-A276 PolarHBondContact O-N 3.46Å; E273-A276 PolarHBondContact O-N 2.89Å; A276-K278 VanDerWaalsContact C-N 3.25Å; A276-K278 PolarHBondContact O-N 2.99Å; A276-Y279 PolarHBondContact O-N 3Å; A276-L281 HydrophobicContact CB-CB 4.01Å; A276-L281 WeakPolarHBondContact O-CB 3.48Å; A276-L281 PolarHBondContact O-N 2.69Å; A276-L281 VanDerWaalsContact O-N 3.16Å; A276-Y283 VanDerWaalsContact CB-CB 3.49Å; A276-Y283 HydrophobicContact CB-CG 4.25Å; A276-I335 HydrophobicContact CB-CD1 3.88Å
277	S	85.7	Confident	86.5	Confident	50 Å²	50	57.3 Å²	57.3	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-30.4	-177.8	77.5	0	0	0	0	113.7	E273 R274 E275 Y279 N280	E273-S277 WeakPolarHBondContact O-CB 3.22Å; E273-S277 PolarHBondContact O-N 3.45Å; R274-S277 PolarHBondContact O-N 2.89Å; R274-S277 PolarHBondContact O-OG 2.85Å; E275-S277 VanDerWaalsContact C-N 3.28Å; E275-S277 PolarHBondContact O-N 3.12Å; S277-Y279 PolarHBondContact O-N 3.38Å; S277-N280 PolarHBondContact O-N 2.72Å; S277-N280 VanDerWaalsContact O-N 3.08Å
278	K	88.2	Confident	87.1	Confident	138 Å²	138	53.5 Å²	53.5	60%	0.6	29%	0.286	S	S	*	.	H	α-helix	trans	-62	-25.9	176.5	-63	175.9	-175.8	167.8	0	112.8	E275 A276	E275-K278 WeakPolarHBondContact O-CB 2.95Å; E275-K278 PolarHBondContact O-N 2.9Å; E275-K278 WeakPolarHBondContact OE2-CD 3.35Å; E275-K278 WeakPolarHBondContact OE2-CE 3.38Å; E275-K278 IonicContact OE2-NZ 3.59Å; E275-K278 PolarHBondContact OE2-NZ 3.34Å; A276-K278 VanDerWaalsContact C-N 3.25Å; A276-K278 PolarHBondContact O-N 2.99Å
279	Y	89	Confident	88	Confident	81 Å²	81	52.6 Å²	52.6	32%	0.318	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	17.3	-180	-58.6	-74.4	0	0	0	112.6	E275 A276 S277 L281 E331	E275-Y279 WeakPolarHBondContact O-CD2 3.41Å; A276-Y279 PolarHBondContact O-N 3Å; S277-Y279 PolarHBondContact O-N 3.38Å; Y279-L281 PolarHBondContact O-N 3.22Å; Y279-E331 HydrophobicContact CD1-CB 4.19Å; Y279-E331 HydrophobicContact CD1-CG 3.81Å; Y279-E331 HydrophobicContact CD2-CB 3.73Å; Y279-E331 HydrophobicContact CD2-CG 3.93Å; Y279-E331 HydrophobicContact CE1-CB 4.37Å; Y279-E331 HydrophobicContact CE1-CG 3.57Å; Y279-E331 HydrophobicContact CE2-CB 3.91Å; Y279-E331 HydrophobicContact CE2-CG 3.68Å; Y279-E331 WeakPolarHBondContact CE2-OE2 3.42Å; Y279-E331 HydrophobicContact CG-CB 3.85Å; Y279-E331 HydrophobicContact CG-CG 3.97Å; Y279-E331 VanDerWaalsContact CZ-CG 3.48Å; Y279-E331 PolarHBondContact OH-OE2 2.81Å
280	N	86.5	Confident	89	Confident	74 Å²	74	50.7 Å²	50.7	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	29.2	-178.6	-165.5	36.6	0	0	0	113.2	S277 R321	S277-N280 PolarHBondContact O-N 2.72Å; S277-N280 VanDerWaalsContact O-N 3.08Å; N280-R321 VanDerWaalsContact O-CD 3.32Å; N280-R321 WeakPolarHBondContact O-CD 3.23Å; N280-R321 PolarHBondContact OD1-NH1 3.28Å
281	L	89.8	Confident	89.9	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	26%	0.257	C	S	.	.			trans	-92.8	135.9	177	-57.9	176.3	0	0	0	109.7	A276 Y279 L318 V320 A332 I335	A276-L281 HydrophobicContact CB-CB 4.01Å; A276-L281 WeakPolarHBondContact O-CB 3.48Å; A276-L281 PolarHBondContact O-N 2.69Å; A276-L281 VanDerWaalsContact O-N 3.16Å; Y279-L281 PolarHBondContact O-N 3.22Å; L281-L318 HydrophobicContact CB-CD1 3.79Å; L281-L318 HydrophobicContact CD1-CD1 4.34Å; L281-L318 HydrophobicContact CD2-CD1 4.31Å; L281-L318 HydrophobicContact CG-CD1 4.37Å; L281-V320 HydrophobicContact CD2-CB 4.15Å; L281-V320 HydrophobicContact CD2-CG1 3.97Å; L281-A332 HydrophobicContact CD1-CB 3.79Å; L281-A332 HydrophobicContact CD2-CB 4.36Å; L281-I335 HydrophobicContact CD1-CD1 4.14Å
282	S	89.8	Confident	90.5	Very high	32 Å²	32	43.5 Å²	43.5	22%	0.224	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	100.6	171.5	-167.7	0	0	0	0	108.6	F317 L318 D319	S282-F317 WeakPolarHBondContact O-CD1 3.41Å; S282-F317 WeakPolarHBondContact O-CE1 3.47Å; S282-L318 VanDerWaalsContact O-CA 3.29Å; S282-L318 WeakPolarHBondContact O-CA 3.12Å; S282-D319 PolarHBondContact N-O 3.25Å; S282-D319 VanDerWaalsContact N-O 3.09Å; S282-D319 PolarHBondContact O-N 3.17Å
283	Y	91.8	Very high	90.9	Very high	11 Å²	11	41 Å²	41	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.8	-177.8	-168.3	-85.5	0	0	0	110.6	I272 E273 A276 T285 N316 F317 L318 I335 L336	I272-Y283 HydrophobicContact CB-CE1 4.33Å; I272-Y283 HydrophobicContact CG2-CD1 3.87Å; I272-Y283 HydrophobicContact CG2-CE1 3.46Å; I272-Y283 VanDerWaalsContact CG2-CE1 3.46Å; I272-Y283 HydrophobicContact CG2-CE2 4.49Å; E273-Y283 HydrophobicContact CG-CD1 3.95Å; E273-Y283 WeakPolarHBondContact CG-O 3.41Å; A276-Y283 VanDerWaalsContact CB-CB 3.49Å; A276-Y283 HydrophobicContact CB-CG 4.25Å; Y283-T285 WeakPolarHBondContact CE1-OG1 3.24Å; Y283-N316 HydrophobicContact CE1-CB 4.13Å; Y283-N316 HydrophobicContact CE2-CB 3.73Å; Y283-N316 WeakPolarHBondContact CE2-ND2 3.32Å; Y283-N316 VanDerWaalsContact CZ-CB 3.5Å; Y283-N316 WeakPolarHBondContact OH-CB 3.49Å; Y283-F317 CarbonylContact C-O 3.54Å; Y283-F317 VanDerWaalsContact CA-O 3.3Å; Y283-F317 WeakPolarHBondContact CA-O 3.45Å; Y283-L318 HydrophobicContact CD2-CB 3.98Å; Y283-L318 HydrophobicContact CD2-CD1 4.1Å; Y283-L318 HydrophobicContact CD2-CD2 4.2Å; Y283-L318 HydrophobicContact CD2-CG 4.32Å; Y283-L318 HydrophobicContact CE2-CB 4.48Å; Y283-L318 HydrophobicContact CE2-CD2 4.5Å; Y283-I335 HydrophobicContact CD2-CG2 3.97Å; Y283-I335 HydrophobicContact CE2-CG2 3.6Å; Y283-L336 HydrophobicContact CE2-CD2 3.95Å
284	I	91	Very high	91.3	Very high	86 Å²	86	38.6 Å²	38.6	44%	0.441	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.5	167.8	-54.8	174.1	0	0	0	107.6	N316 F317	I284-N316 CarbonylContact O-C 3.6Å; I284-N316 VanDerWaalsContact O-CA 3.23Å; I284-N316 WeakPolarHBondContact O-CA 3.48Å; I284-N316 WeakPolarHBondContact O-CB 3.2Å; I284-F317 HydrophobicContact CB-CB 4.05Å; I284-F317 HydrophobicContact CD1-CD1 4.41Å; I284-F317 HydrophobicContact CG1-CB 4.47Å; I284-F317 HydrophobicContact CG1-CD1 4.32Å; I284-F317 PolarHBondContact N-O 2.83Å; I284-F317 PolarHBondContact O-N 3Å
285	T	89.2	Confident	91.5	Very high	34 Å²	34	37.1 Å²	37.1	21%	0.209	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.9	179.6	-48.9	0	0	0	0	110.9	N270 E273 Y283	N270-T285 PolarHBondContact ND2-OG1 3.19Å; E273-T285 PolarHBondContact OE1-N 2.87Å; Y283-T285 WeakPolarHBondContact CE1-OG1 3.24Å
286	L	91.8	Very high	91.5	Very high	63 Å²	63	36.1 Å²	36.1	33%	0.33	20%	0.203	S	C	.	.			trans	-121.5	179.5	173.8	-55.4	175.7	0	0	0	110.5	M304 P314 A315 K341	L286-M304 HydrophobicContact CD1-SD 3.52Å; L286-M304 VanDerWaalsContact CD1-SD 3.52Å; L286-P314 WeakPolarHBondContact CB-O 3.35Å; L286-P314 HydrophobicContact CD1-CB 4.36Å; L286-P314 HydrophobicContact CD1-CG 4.3Å; L286-A315 CarbonylContact C-O 3.58Å; L286-A315 WeakPolarHBondContact CA-O 3.42Å; L286-A315 WeakPolarHBondContact CB-O 3.47Å; L286-A315 PolarHBondContact N-O 3.32Å; L286-K341 PolarHBondContact O-NZ 3.13Å
287	S	88.8	Confident	91.6	Very high	110 Å²	110	37.7 Å²	37.7	77%	0.769	22%	0.216	S	C	*	.	S	Bend	trans	-91.9	-4.4	-174.6	56.7	0	0	0	0	114.9
288	G	93.7	Very high	91.9	Very high	5 Å²	5	37.7 Å²	37.7	5%	0.052	22%	0.224	C	C	.	.			trans	-78.7	-169.4	-175.3	0	0	0	0	0	115.4	E313 P314 A315	G288-E313 CarbonylContact C-O 3.59Å; G288-E313 VanDerWaalsContact CA-CB 3.44Å; G288-E313 WeakPolarHBondContact CA-O 3.39Å; G288-P314 WeakPolarHBondContact CA-O 3.41Å; G288-P314 PolarHBondContact N-O 2.65Å; G288-A315 VanDerWaalsContact O-CB 3.29Å; G288-A315 WeakPolarHBondContact O-CB 3.41Å
289	D	96.2	Very high	92.1	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.08	21%	0.206	C	C	.	.	S	Bend	trans	-125.3	-2.9	-173.4	62.9	-9.1	0	0	0	114.1	E313 K341 V342 R343 C344	D289-E313 PolarHBondContact N-O 3.33Å; D289-K341 WeakPolarHBondContact CA-O 3.23Å; D289-K341 WeakPolarHBondContact CB-O 3.07Å; D289-V342 CarbonylContact O-C 3.53Å; D289-V342 WeakPolarHBondContact O-CA 3.26Å; D289-R343 PolarHBondContact O-N 2.85Å; D289-R343 IonicContact OD2-CZ 2.8Å; D289-R343 IonicContact OD2-NE 3.74Å; D289-R343 IonicContact OD2-NH1 2.85Å; D289-R343 IonicContact OD2-NH2 2.78Å; D289-R343 PolarHBondContact OD2-NH2 3.06Å; D289-C344 PolarHBondContact O-N 2.96Å
290	I	97.6	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.1	175.6	-62.4	167.5	0	0	0	109.5	I307 E313 A315 C344 F346 A412 V413 T416	I290-I307 HydrophobicContact CB-CD1 4.45Å; I290-I307 HydrophobicContact CB-CG2 4.33Å; I290-I307 HydrophobicContact CD1-CG2 3.56Å; I290-I307 HydrophobicContact CG2-CD1 3.73Å; I290-I307 HydrophobicContact CG2-CG1 4.4Å; I290-E313 PolarHBondContact N-O 3.25Å; I290-A315 PolarHBondContact O-N 3.17Å; I290-C344 CarbonylContact C-O 3.51Å; I290-C344 WeakPolarHBondContact CA-O 3.12Å; I290-F346 HydrophobicContact CG2-CB 4.21Å; I290-A412 HydrophobicContact CD1-CB 4.47Å; I290-A412 HydrophobicContact CG2-CB 4.09Å; I290-V413 HydrophobicContact CD1-CG2 4.04Å; I290-T416 HydrophobicContact CD1-CG2 4.04Å; I290-T416 HydrophobicContact CG1-CG2 3.45Å; I290-T416 VanDerWaalsContact CG1-CG2 3.45Å
291	G	97.3	Very high	92.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.4	174.9	0	0	0	0	0	110.8	N316 C344 V345 F346	G291-N316 VanDerWaalsContact CA-OD1 3.24Å; G291-N316 WeakPolarHBondContact CA-OD1 3.29Å; G291-C344 PolarHBondContact N-O 3.37Å; G291-V345 CarbonylContact O-C 3.02Å; G291-V345 VanDerWaalsContact O-CA 3.29Å; G291-V345 WeakPolarHBondContact O-CA 3.31Å; G291-F346 PolarHBondContact O-N 2.98Å
292	C	97.1	Very high	93.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.7	179.9	-61.7	0	0	0	0	110.3	I307 N316 L318 F346	C292-I307 WeakPolarHBondContact SG-CD1 3.14Å; C292-N316 PolarHBondContact N-OD1 2.68Å; C292-N316 PolarHBondContact O-ND2 2.96Å; C292-L318 WeakPolarHBondContact O-CB 3.25Å; C292-F346 WeakPolarHBondContact CA-O 3.43Å
293	M	95.9	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.8	167.1	-173.6	-171.8	-56.3	0	0	109.7	L318 V320 I329 A332 L333 L336 F346 I347 N348	M293-L318 HydrophobicContact CB-CD2 4.42Å; M293-L318 HydrophobicContact CG-CD2 4.26Å; M293-V320 HydrophobicContact CG-CG1 3.68Å; M293-V320 HydrophobicContact SD-CG1 4.2Å; M293-I329 HydrophobicContact SD-CD1 3.9Å; M293-I329 HydrophobicContact SD-CG2 4.29Å; M293-A332 HydrophobicContact CE-CB 3.49Å; M293-A332 VanDerWaalsContact CE-CB 3.49Å; M293-A332 HydrophobicContact CG-CB 4.39Å; M293-A332 HydrophobicContact SD-CB 4Å; M293-L333 HydrophobicContact CE-CB 3.88Å; M293-L333 HydrophobicContact CE-CD1 4.44Å; M293-L333 VanDerWaalsContact CE-N 3.33Å; M293-L336 HydrophobicContact CB-CD1 3.99Å; M293-L336 HydrophobicContact CE-CD1 4.04Å; M293-F346 PolarHBondContact N-O 2.81Å; M293-I347 HydrophobicContact CB-CG1 4.31Å; M293-I347 HydrophobicContact CB-CG2 4.47Å; M293-I347 WeakPolarHBondContact O-CA 3.46Å; M293-I347 HydrophobicContact SD-CG2 4.45Å; M293-N348 PolarHBondContact O-N 3.19Å
294	V	94.4	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150	-170	-174.8	0	0	0	0	110.9	L299 A300 T303 L318 D319 V320 N348	V294-L299 HydrophobicContact CG1-CB 3.71Å; V294-L299 HydrophobicContact CG1-CD2 3.71Å; V294-L299 HydrophobicContact CG1-CG 3.48Å; V294-L299 VanDerWaalsContact CG1-CG 3.48Å; V294-A300 HydrophobicContact CB-CB 3.88Å; V294-A300 HydrophobicContact CG1-CB 4.07Å; V294-A300 HydrophobicContact CG2-CB 4.41Å; V294-T303 HydrophobicContact CG2-CG2 3.95Å; V294-L318 PolarHBondContact N-O 3.07Å; V294-L318 VanDerWaalsContact N-O 3.17Å; V294-D319 CarbonylContact O-C 3.57Å; V294-D319 VanDerWaalsContact O-CA 3.31Å; V294-D319 WeakPolarHBondContact O-CA 3.46Å; V294-V320 WeakPolarHBondContact O-CG2 3.4Å; V294-V320 PolarHBondContact O-N 3.39Å; V294-N348 WeakPolarHBondContact CA-O 3.15Å; V294-N348 WeakPolarHBondContact CG1-O 3.37Å; V294-N348 HydrophobicContact CG2-CB 4.24Å
295	N	91.1	Very high	94.1	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.123	21%	0.208	C	C	.	.	S	Bend	trans	-100.8	117.8	170.3	69.4	-45.6	0	0	0	111.4	V320 I349 F350 V354	N295-V320 HydrophobicContact CB-CG2 3.74Å; N295-I349 HydrophobicContact CB-CD1 3.95Å; N295-I349 VanDerWaalsContact OD1-CA 3.28Å; N295-I349 WeakPolarHBondContact OD1-CA 3.39Å; N295-F350 PolarHBondContact ND2-O 3.41Å; N295-F350 PolarHBondContact OD1-N 3.4Å; N295-V354 HydrophobicContact CB-CG2 4.26Å
296	G	88.7	Confident	94.5	Very high	28 Å²	28	31.7 Å²	31.7	29%	0.289	20%	0.204	S	C	.	.	S	Bend	trans	96.7	124.3	-179.4	0	0	0	0	0	113.1	G298 L299 A300 D319	G296-G298 VanDerWaalsContact C-N 3.29Å; G296-G298 PolarHBondContact O-N 3.17Å; G296-L299 PolarHBondContact O-N 2.93Å; G296-A300 PolarHBondContact O-N 3.08Å; G296-D319 WeakPolarHBondContact CA-OD1 3.43Å; G296-D319 PolarHBondContact N-OD1 2.97Å
297	A	89.7	Confident	94.7	Very high	34 Å²	34	28.7 Å²	28.7	28%	0.281	19%	0.189	S	C	.	.	H	α-helix	trans	-52.2	-39.8	-178	0	0	0	0	0	115	A300 M301 F317 D319	A297-A300 PolarHBondContact O-N 2.95Å; A297-M301 WeakPolarHBondContact O-CG 3.16Å; A297-M301 PolarHBondContact O-N 3.06Å; A297-F317 HydrophobicContact CB-CE2 4.47Å; A297-F317 HydrophobicContact CB-CZ 3.91Å; A297-D319 PolarHBondContact N-OD2 3.49Å
298	G	92.4	Very high	95.1	Very high	50 Å²	50	28.6 Å²	28.6	52%	0.515	17%	0.174	S	C	.	.	H	α-helix	trans	-65.1	-41.8	178.1	0	0	0	0	0	113	G296 A302	G296-G298 VanDerWaalsContact C-N 3.29Å; G296-G298 PolarHBondContact O-N 3.17Å; G298-A302 WeakPolarHBondContact O-CB 3.29Å; G298-A302 PolarHBondContact O-N 2.9Å
299	L	93.1	Very high	95.2	Very high	42 Å²	42	35.8 Å²	35.8	22%	0.22	21%	0.206	C	C	.	.	H	α-helix	trans	-71.1	-35.5	175.8	-174.6	62.6	0	0	0	111	V294 G296 A302 T303 F350 F405	V294-L299 HydrophobicContact CG1-CB 3.71Å; V294-L299 HydrophobicContact CG1-CD2 3.71Å; V294-L299 HydrophobicContact CG1-CG 3.48Å; V294-L299 VanDerWaalsContact CG1-CG 3.48Å; G296-L299 PolarHBondContact O-N 2.93Å; L299-A302 PolarHBondContact O-N 2.99Å; L299-T303 WeakPolarHBondContact O-CB 3.33Å; L299-T303 PolarHBondContact O-N 3.35Å; L299-T303 PolarHBondContact O-OG1 2.72Å; L299-F350 HydrophobicContact CD2-CB 3.94Å; L299-F405 HydrophobicContact CD1-CE1 4.35Å; L299-F405 HydrophobicContact CD1-CZ 4.09Å
300	A	94.4	Very high	95.2	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-46.1	176.1	0	0	0	0	0	111.3	V294 G296 A297 T303 M304 F317	V294-A300 HydrophobicContact CB-CB 3.88Å; V294-A300 HydrophobicContact CG1-CB 4.07Å; V294-A300 HydrophobicContact CG2-CB 4.41Å; G296-A300 PolarHBondContact O-N 3.08Å; A297-A300 PolarHBondContact O-N 2.95Å; A300-T303 PolarHBondContact O-N 3.25Å; A300-M304 WeakPolarHBondContact O-CG 3.3Å; A300-M304 PolarHBondContact O-N 2.89Å; A300-M304 VanDerWaalsContact O-N 3.13Å; A300-F317 HydrophobicContact CB-CD2 3.83Å; A300-F317 HydrophobicContact CB-CE2 3.41Å; A300-F317 VanDerWaalsContact CB-CE2 3.41Å; A300-F317 HydrophobicContact CB-CZ 3.92Å
301	M	95.9	Very high	95.1	Very high	97 Å²	97	41.6 Å²	41.6	48%	0.478	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-50.5	172.7	-70.4	-176.1	-67.5	0	0	111.9	A297 T303 M304 D305 F317	A297-M301 WeakPolarHBondContact O-CG 3.16Å; A297-M301 PolarHBondContact O-N 3.06Å; M301-T303 PolarHBondContact O-N 2.98Å; M301-M304 HydrophobicContact CG-CE 4.26Å; M301-M304 PolarHBondContact O-N 3.13Å; M301-M304 VanDerWaalsContact O-N 3.13Å; M301-D305 PolarHBondContact O-N 3.38Å; M301-F317 HydrophobicContact CG-CD2 4.28Å; M301-F317 HydrophobicContact CG-CE2 3.93Å
302	A	96.9	Very high	95.1	Very high	35 Å²	35	41.8 Å²	41.8	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-31.7	177.9	0	0	0	0	0	112.8	G298 L299 D305 I306 F405	G298-A302 WeakPolarHBondContact O-CB 3.29Å; G298-A302 PolarHBondContact O-N 2.9Å; L299-A302 PolarHBondContact O-N 2.99Å; A302-D305 PolarHBondContact O-N 2.93Å; A302-I306 WeakPolarHBondContact O-CG2 3.29Å; A302-I306 PolarHBondContact O-N 3.19Å; A302-F405 VanDerWaalsContact C-CZ 3.49Å; A302-F405 HydrophobicContact CB-CE1 3.98Å; A302-F405 HydrophobicContact CB-CZ 3.9Å; A302-F405 WeakPolarHBondContact O-CZ 3.35Å
303	T	97.1	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-41.5	179.2	-59	0	0	0	0	110.9	V294 L299 A300 M301 I306 I307 F346 N348 F405	V294-T303 HydrophobicContact CG2-CG2 3.95Å; L299-T303 WeakPolarHBondContact O-CB 3.33Å; L299-T303 PolarHBondContact O-N 3.35Å; L299-T303 PolarHBondContact O-OG1 2.72Å; A300-T303 PolarHBondContact O-N 3.25Å; M301-T303 PolarHBondContact O-N 2.98Å; T303-I306 VanDerWaalsContact O-CG2 3.24Å; T303-I306 WeakPolarHBondContact O-CG2 3.47Å; T303-I307 HydrophobicContact CG2-CD1 4.21Å; T303-I307 WeakPolarHBondContact O-CD1 3.46Å; T303-I307 VanDerWaalsContact O-CG1 3.26Å; T303-I307 WeakPolarHBondContact O-CG1 3.3Å; T303-I307 PolarHBondContact O-N 2.93Å; T303-I307 VanDerWaalsContact O-N 3.08Å; T303-F346 HydrophobicContact CG2-CD1 3.62Å; T303-F346 HydrophobicContact CG2-CE1 3.67Å; T303-N348 HydrophobicContact CG2-CB 4.34Å; T303-N348 PolarHBondContact OG1-ND2 3.17Å; T303-F405 HydrophobicContact CG2-CE2 4.23Å; T303-F405 WeakPolarHBondContact OG1-CE2 3.49Å
304	M	97.2	Very high	95.1	Very high	26 Å²	26	46.1 Å²	46.1	13%	0.128	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-43.8	172.7	-65.7	-173.4	-56.5	0	0	111.3	L286 A300 M301 I306 I307 K308 P314 N316 F317	L286-M304 HydrophobicContact CD1-SD 3.52Å; L286-M304 VanDerWaalsContact CD1-SD 3.52Å; A300-M304 WeakPolarHBondContact O-CG 3.3Å; A300-M304 PolarHBondContact O-N 2.89Å; A300-M304 VanDerWaalsContact O-N 3.13Å; M301-M304 HydrophobicContact CG-CE 4.26Å; M301-M304 PolarHBondContact O-N 3.13Å; M301-M304 VanDerWaalsContact O-N 3.13Å; M304-I306 PolarHBondContact O-N 3Å; M304-I307 PolarHBondContact O-N 3.34Å; M304-K308 WeakPolarHBondContact O-CB 3.42Å; M304-K308 PolarHBondContact O-N 3.47Å; M304-P314 HydrophobicContact CB-CB 3.93Å; M304-P314 HydrophobicContact CB-CG 3.9Å; M304-P314 HydrophobicContact CG-CB 3.76Å; M304-P314 HydrophobicContact CG-CG 4.22Å; M304-P314 HydrophobicContact SD-CB 4.36Å; M304-N316 VanDerWaalsContact SD-O 3.37Å; M304-F317 HydrophobicContact CE-CB 4.03Å; M304-F317 HydrophobicContact CE-CD2 3.65Å; M304-F317 HydrophobicContact CE-CG 4.34Å; M304-F317 HydrophobicContact SD-CB 3.78Å; M304-F317 HydrophobicContact SD-CD2 4.34Å
305	D	97.5	Very high	95.2	Very high	109 Å²	109	46.1 Å²	46.1	58%	0.583	27%	0.269	S	S	*	.	H	α-helix	trans	-62.4	-43	179.9	-66.8	-19.4	0	0	0	111.8	M301 A302 K308 H309	M301-D305 PolarHBondContact O-N 3.38Å; A302-D305 PolarHBondContact O-N 2.93Å; D305-K308 PolarHBondContact O-N 3.26Å; D305-H309 WeakPolarHBondContact O-CB 3.23Å; D305-H309 PolarHBondContact O-N 2.88Å
306	I	97.2	Very high	95.5	Very high	25 Å²	25	45 Å²	45	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-37.4	178.7	-162.4	168.3	0	0	0	111.8	A302 T303 M304 K308 H309 Y310 F405 A409	A302-I306 WeakPolarHBondContact O-CG2 3.29Å; A302-I306 PolarHBondContact O-N 3.19Å; T303-I306 VanDerWaalsContact O-CG2 3.24Å; T303-I306 WeakPolarHBondContact O-CG2 3.47Å; M304-I306 PolarHBondContact O-N 3Å; I306-K308 VanDerWaalsContact C-N 3.27Å; I306-K308 PolarHBondContact O-N 3.02Å; I306-H309 WeakPolarHBondContact O-CB 3.42Å; I306-H309 PolarHBondContact O-N 3.11Å; I306-H309 VanDerWaalsContact O-N 3.17Å; I306-Y310 HydrophobicContact CD1-CE2 4.26Å; I306-Y310 HydrophobicContact CG1-CD2 3.95Å; I306-Y310 HydrophobicContact CG1-CE2 3.82Å; I306-Y310 WeakPolarHBondContact O-CD2 3.27Å; I306-Y310 PolarHBondContact O-N 3.38Å; I306-Y310 VanDerWaalsContact O-N 3.1Å; I306-F405 HydrophobicContact CB-CZ 4.46Å; I306-F405 HydrophobicContact CD1-CB 4.41Å; I306-F405 HydrophobicContact CD1-CD1 4.01Å; I306-F405 HydrophobicContact CD1-CD2 4.26Å; I306-F405 HydrophobicContact CD1-CE1 4.4Å; I306-F405 HydrophobicContact CD1-CG 3.95Å; I306-F405 HydrophobicContact CG2-CD2 3.98Å; I306-F405 HydrophobicContact CG2-CE1 4.37Å; I306-F405 HydrophobicContact CG2-CE2 3.49Å; I306-F405 VanDerWaalsContact CG2-CE2 3.49Å; I306-F405 HydrophobicContact CG2-CZ 3.74Å; I306-A409 HydrophobicContact CB-CB 4.33Å; I306-A409 HydrophobicContact CD1-CB 4.35Å; I306-A409 HydrophobicContact CG1-CB 3.87Å; I306-A409 HydrophobicContact CG2-CB 3.79Å
307	I	97.2	Very high	95.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-47	171.6	-73.5	162.2	0	0	0	109.9	I290 C292 T303 M304 H309 Y310 G311 G312 F346	I290-I307 HydrophobicContact CB-CD1 4.45Å; I290-I307 HydrophobicContact CB-CG2 4.33Å; I290-I307 HydrophobicContact CD1-CG2 3.56Å; I290-I307 HydrophobicContact CG2-CD1 3.73Å; I290-I307 HydrophobicContact CG2-CG1 4.4Å; C292-I307 WeakPolarHBondContact SG-CD1 3.14Å; T303-I307 HydrophobicContact CG2-CD1 4.21Å; T303-I307 WeakPolarHBondContact O-CD1 3.46Å; T303-I307 VanDerWaalsContact O-CG1 3.26Å; T303-I307 WeakPolarHBondContact O-CG1 3.3Å; T303-I307 PolarHBondContact O-N 2.93Å; T303-I307 VanDerWaalsContact O-N 3.08Å; M304-I307 PolarHBondContact O-N 3.34Å; I307-H309 VanDerWaalsContact C-N 3.32Å; I307-H309 PolarHBondContact O-N 3.3Å; I307-Y310 PolarHBondContact O-N 3Å; I307-G311 PolarHBondContact O-N 3.36Å; I307-G312 PolarHBondContact O-N 3.27Å; I307-F346 HydrophobicContact CD1-CD1 4.07Å; I307-F346 HydrophobicContact CG1-CD1 4.22Å
308	K	96.3	Very high	96.1	Very high	109 Å²	109	43.1 Å²	43.1	47%	0.474	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-38.5	178.5	-168.9	66.8	168.6	-173	0	112	M304 D305 I306 Y310 G311 G312 E313	M304-K308 WeakPolarHBondContact O-CB 3.42Å; M304-K308 PolarHBondContact O-N 3.47Å; D305-K308 PolarHBondContact O-N 3.26Å; I306-K308 VanDerWaalsContact C-N 3.27Å; I306-K308 PolarHBondContact O-N 3.02Å; K308-Y310 VanDerWaalsContact C-N 3.29Å; K308-Y310 PolarHBondContact O-N 2.88Å; K308-G311 PolarHBondContact O-N 2.99Å; K308-G312 WeakPolarHBondContact CA-O 3.43Å; K308-G312 WeakPolarHBondContact CD-O 3.49Å; K308-E313 IonicContact NZ-OE1 3.88Å; K308-E313 PolarHBondContact NZ-OE1 3.46Å; K308-E313 IonicContact NZ-OE2 2.6Å; K308-E313 PolarHBondContact NZ-OE2 3.49Å
309	H	96.6	Very high	96.1	Very high	155 Å²	155	41.5 Å²	41.5	72%	0.718	22%	0.221	S	C	*	.	H	α-helix	trans	-59.5	-37.9	175.9	-176.9	70.9	0	0	0	112.6	D305 I306 I307 G311	D305-H309 WeakPolarHBondContact O-CB 3.23Å; D305-H309 PolarHBondContact O-N 2.88Å; I306-H309 WeakPolarHBondContact O-CB 3.42Å; I306-H309 PolarHBondContact O-N 3.11Å; I306-H309 VanDerWaalsContact O-N 3.17Å; I307-H309 VanDerWaalsContact C-N 3.32Å; I307-H309 PolarHBondContact O-N 3.3Å; H309-G311 VanDerWaalsContact C-N 3.26Å; H309-G311 PolarHBondContact O-N 3.34Å
310	Y	96.2	Very high	95.9	Very high	79 Å²	79	39.6 Å²	39.6	31%	0.31	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6.3	174.9	-77.5	-87.7	0	0	0	113.8	I306 I307 K308 S406 A409 E410	I306-Y310 HydrophobicContact CD1-CE2 4.26Å; I306-Y310 HydrophobicContact CG1-CD2 3.95Å; I306-Y310 HydrophobicContact CG1-CE2 3.82Å; I306-Y310 WeakPolarHBondContact O-CD2 3.27Å; I306-Y310 PolarHBondContact O-N 3.38Å; I306-Y310 VanDerWaalsContact O-N 3.1Å; I307-Y310 PolarHBondContact O-N 3Å; K308-Y310 VanDerWaalsContact C-N 3.29Å; K308-Y310 PolarHBondContact O-N 2.88Å; Y310-S406 VanDerWaalsContact OH-CB 3.31Å; Y310-S406 WeakPolarHBondContact OH-CB 3.44Å; Y310-S406 PolarHBondContact OH-OG 3.39Å; Y310-A409 HydrophobicContact CD2-CB 3.76Å; Y310-A409 HydrophobicContact CE2-CB 4.2Å; Y310-A409 HydrophobicContact CG-CB 4.48Å; Y310-E410 HydrophobicContact CD1-CB 3.94Å; Y310-E410 HydrophobicContact CD1-CG 4.17Å; Y310-E410 HydrophobicContact CE1-CB 3.97Å; Y310-E410 HydrophobicContact CE1-CG 4.25Å; Y310-E410 HydrophobicContact CG-CB 4.5Å
311	G	95.6	Very high	95.3	Very high	59 Å²	59	43 Å²	43	61%	0.608	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	8.7	175.3	0	0	0	0	0	115.5	I307 K308 H309	I307-G311 PolarHBondContact O-N 3.36Å; K308-G311 PolarHBondContact O-N 2.99Å; H309-G311 VanDerWaalsContact C-N 3.26Å; H309-G311 PolarHBondContact O-N 3.34Å
312	G	96.3	Very high	93.8	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	22%	0.224	C	C	.	.			trans	-84.3	172.1	171	0	0	0	0	0	113.4	I307 K308	I307-G312 PolarHBondContact O-N 3.27Å; K308-G312 WeakPolarHBondContact CA-O 3.43Å; K308-G312 WeakPolarHBondContact CD-O 3.49Å
313	E	97.3	Very high	92.7	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	24%	0.24	S	C	.	.			trans	-121.6	114.2	175.5	-63.3	-63.7	159.8	0	0	110.2	G288 D289 I290 K308 A315	G288-E313 CarbonylContact C-O 3.59Å; G288-E313 VanDerWaalsContact CA-CB 3.44Å; G288-E313 WeakPolarHBondContact CA-O 3.39Å; D289-E313 PolarHBondContact N-O 3.33Å; I290-E313 PolarHBondContact N-O 3.25Å; K308-E313 IonicContact NZ-OE1 3.88Å; K308-E313 PolarHBondContact NZ-OE1 3.46Å; K308-E313 IonicContact NZ-OE2 2.6Å; K308-E313 PolarHBondContact NZ-OE2 3.49Å; E313-A315 PolarHBondContact O-N 2.84Å
314	P	97.1	Very high	92	Very high	16 Å²	16	44.9 Å²	44.9	10%	0.104	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-66.6	128.9	175.4	27.2	-32.9	0	0	0	110.7	L286 G288 M304	L286-P314 WeakPolarHBondContact CB-O 3.35Å; L286-P314 HydrophobicContact CD1-CB 4.36Å; L286-P314 HydrophobicContact CD1-CG 4.3Å; G288-P314 WeakPolarHBondContact CA-O 3.41Å; G288-P314 PolarHBondContact N-O 2.65Å; M304-P314 HydrophobicContact CB-CB 3.93Å; M304-P314 HydrophobicContact CB-CG 3.9Å; M304-P314 HydrophobicContact CG-CB 3.76Å; M304-P314 HydrophobicContact CG-CG 4.22Å; M304-P314 HydrophobicContact SD-CB 4.36Å
315	A	96.1	Very high	91.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.			trans	-80.6	-21.4	-179.9	0	0	0	0	0	112.8	L286 G288 I290 E313 V342	L286-A315 CarbonylContact C-O 3.58Å; L286-A315 WeakPolarHBondContact CA-O 3.42Å; L286-A315 WeakPolarHBondContact CB-O 3.47Å; L286-A315 PolarHBondContact N-O 3.32Å; G288-A315 VanDerWaalsContact O-CB 3.29Å; G288-A315 WeakPolarHBondContact O-CB 3.41Å; I290-A315 PolarHBondContact O-N 3.17Å; E313-A315 PolarHBondContact O-N 2.84Å; A315-V342 HydrophobicContact CB-CG2 3.71Å
316	N	96	Very high	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	161.2	-176.6	70.6	-68.3	0	0	0	112.1	Y283 I284 G291 C292 M304 L318 L336	Y283-N316 HydrophobicContact CE1-CB 4.13Å; Y283-N316 HydrophobicContact CE2-CB 3.73Å; Y283-N316 WeakPolarHBondContact CE2-ND2 3.32Å; Y283-N316 VanDerWaalsContact CZ-CB 3.5Å; Y283-N316 WeakPolarHBondContact OH-CB 3.49Å; I284-N316 CarbonylContact O-C 3.6Å; I284-N316 VanDerWaalsContact O-CA 3.23Å; I284-N316 WeakPolarHBondContact O-CA 3.48Å; I284-N316 WeakPolarHBondContact O-CB 3.2Å; G291-N316 VanDerWaalsContact CA-OD1 3.24Å; G291-N316 WeakPolarHBondContact CA-OD1 3.29Å; C292-N316 PolarHBondContact N-OD1 2.68Å; C292-N316 PolarHBondContact O-ND2 2.96Å; M304-N316 VanDerWaalsContact SD-O 3.37Å; N316-L318 WeakPolarHBondContact ND2-CB 3.48Å; N316-L318 PolarHBondContact ND2-N 3.37Å; N316-L336 VanDerWaalsContact CG-CD2 3.47Å; N316-L336 WeakPolarHBondContact ND2-CD2 3.43Å; N316-L336 VanDerWaalsContact OD1-CD2 3.23Å; N316-L336 WeakPolarHBondContact OD1-CD2 3.28Å
317	F	95.9	Very high	91.1	Very high	21 Å²	21	46.3 Å²	46.3	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.6	153	173.1	-84.5	0	0	0	108.2	S282 Y283 I284 A297 A300 M301 M304 D319	S282-F317 WeakPolarHBondContact O-CD1 3.41Å; S282-F317 WeakPolarHBondContact O-CE1 3.47Å; Y283-F317 CarbonylContact C-O 3.54Å; Y283-F317 VanDerWaalsContact CA-O 3.3Å; Y283-F317 WeakPolarHBondContact CA-O 3.45Å; I284-F317 HydrophobicContact CB-CB 4.05Å; I284-F317 HydrophobicContact CD1-CD1 4.41Å; I284-F317 HydrophobicContact CG1-CB 4.47Å; I284-F317 HydrophobicContact CG1-CD1 4.32Å; I284-F317 PolarHBondContact N-O 2.83Å; I284-F317 PolarHBondContact O-N 3Å; A297-F317 HydrophobicContact CB-CE2 4.47Å; A297-F317 HydrophobicContact CB-CZ 3.91Å; A300-F317 HydrophobicContact CB-CD2 3.83Å; A300-F317 HydrophobicContact CB-CE2 3.41Å; A300-F317 VanDerWaalsContact CB-CE2 3.41Å; A300-F317 HydrophobicContact CB-CZ 3.92Å; M301-F317 HydrophobicContact CG-CD2 4.28Å; M301-F317 HydrophobicContact CG-CE2 3.93Å; M304-F317 HydrophobicContact CE-CB 4.03Å; M304-F317 HydrophobicContact CE-CD2 3.65Å; M304-F317 HydrophobicContact CE-CG 4.34Å; M304-F317 HydrophobicContact SD-CB 3.78Å; M304-F317 HydrophobicContact SD-CD2 4.34Å; F317-D319 HydrophobicContact CE1-CB 3.85Å; F317-D319 HydrophobicContact CZ-CB 3.92Å
318	L	95.1	Very high	90.8	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	114.6	170.3	170.4	57	0	0	0	111	L281 S282 Y283 C292 M293 V294 N316 A332 L336	L281-L318 HydrophobicContact CB-CD1 3.79Å; L281-L318 HydrophobicContact CD1-CD1 4.34Å; L281-L318 HydrophobicContact CD2-CD1 4.31Å; L281-L318 HydrophobicContact CG-CD1 4.37Å; S282-L318 VanDerWaalsContact O-CA 3.29Å; S282-L318 WeakPolarHBondContact O-CA 3.12Å; Y283-L318 HydrophobicContact CD2-CB 3.98Å; Y283-L318 HydrophobicContact CD2-CD1 4.1Å; Y283-L318 HydrophobicContact CD2-CD2 4.2Å; Y283-L318 HydrophobicContact CD2-CG 4.32Å; Y283-L318 HydrophobicContact CE2-CB 4.48Å; Y283-L318 HydrophobicContact CE2-CD2 4.5Å; C292-L318 WeakPolarHBondContact O-CB 3.25Å; M293-L318 HydrophobicContact CB-CD2 4.42Å; M293-L318 HydrophobicContact CG-CD2 4.26Å; V294-L318 PolarHBondContact N-O 3.07Å; V294-L318 VanDerWaalsContact N-O 3.17Å; N316-L318 WeakPolarHBondContact ND2-CB 3.48Å; N316-L318 PolarHBondContact ND2-N 3.37Å; L318-A332 HydrophobicContact CD2-CB 3.92Å; L318-L336 HydrophobicContact CD2-CD1 4.08Å; L318-L336 HydrophobicContact CD2-CD2 4.27Å; L318-L336 HydrophobicContact CD2-CG 4.17Å
319	D	92.9	Very high	90.7	Very high	16 Å²	16	41.5 Å²	41.5	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.4	170.6	179.4	8.9	0	0	0	110	S282 V294 G296 A297 F317 R321	S282-D319 PolarHBondContact N-O 3.25Å; S282-D319 VanDerWaalsContact N-O 3.09Å; S282-D319 PolarHBondContact O-N 3.17Å; V294-D319 CarbonylContact O-C 3.57Å; V294-D319 VanDerWaalsContact O-CA 3.31Å; V294-D319 WeakPolarHBondContact O-CA 3.46Å; G296-D319 WeakPolarHBondContact CA-OD1 3.43Å; G296-D319 PolarHBondContact N-OD1 2.97Å; A297-D319 PolarHBondContact N-OD2 3.49Å; F317-D319 HydrophobicContact CE1-CB 3.85Å; F317-D319 HydrophobicContact CZ-CB 3.92Å; D319-R321 PolarHBondContact O-N 2.96Å; D319-R321 VanDerWaalsContact OD1-CA 3.29Å; D319-R321 WeakPolarHBondContact OD1-CA 3.45Å; D319-R321 PolarHBondContact OD1-N 3.13Å
320	V	89.6	Confident	90.5	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	21%	0.21	C	C	.	.			trans	-76.8	5.2	174.9	-59	0	0	0	0	113.5	L281 M293 V294 N295 V324 I329 A332 I349	L281-V320 HydrophobicContact CD2-CB 4.15Å; L281-V320 HydrophobicContact CD2-CG1 3.97Å; M293-V320 HydrophobicContact CG-CG1 3.68Å; M293-V320 HydrophobicContact SD-CG1 4.2Å; V294-V320 WeakPolarHBondContact O-CG2 3.4Å; V294-V320 PolarHBondContact O-N 3.39Å; N295-V320 HydrophobicContact CB-CG2 3.74Å; V320-V324 HydrophobicContact CB-CG2 4.24Å; V320-V324 HydrophobicContact CG2-CG2 3.64Å; V320-I329 HydrophobicContact CB-CD1 4.3Å; V320-I329 HydrophobicContact CG1-CD1 4.05Å; V320-I329 HydrophobicContact CG2-CD1 4.25Å; V320-A332 HydrophobicContact CG1-CB 4.21Å; V320-I349 HydrophobicContact CG2-CD1 4.1Å
321	R	81	Confident	90.4	Very high	74 Å²	74	32.6 Å²	32.6	28%	0.279	20%	0.202	S	C	.	.			trans	55.2	-174.4	179.9	-61.8	-172.5	175.1	177.1	-4.9	112.7	N280 D319 V324	N280-R321 VanDerWaalsContact O-CD 3.32Å; N280-R321 WeakPolarHBondContact O-CD 3.23Å; N280-R321 PolarHBondContact OD1-NH1 3.28Å; D319-R321 PolarHBondContact O-N 2.96Å; D319-R321 VanDerWaalsContact OD1-CA 3.29Å; D319-R321 WeakPolarHBondContact OD1-CA 3.45Å; D319-R321 PolarHBondContact OD1-N 3.13Å; R321-V324 WeakPolarHBondContact O-CG2 3.24Å
322	G	65.8	Low	90.3	Very high	47 Å²	47	29.8 Å²	29.8	49%	0.485	17%	0.173	S	C	.	.	S	Bend	trans	-78.9	-24.6	-176.1	0	0	0	0	0	114.8	V324	G322-V324 PolarHBondContact O-N 3.43Å
323	T	72.6	Confident	90.2	Very high	102 Å²	102	29.6 Å²	29.6	63%	0.626	17%	0.171	S	C	*	.	S	Bend	trans	-99.8	68.2	-178.4	54.2	0	0	0	0	110.3
324	V	83.4	Confident	90	Very high	21 Å²	21	30.2 Å²	30.2	13%	0.127	17%	0.17	C	C	.	.			trans	-74.1	128.1	-179.4	179.2	0	0	0	0	110	V320 R321 G322 I329 V354 V359	V320-V324 HydrophobicContact CB-CG2 4.24Å; V320-V324 HydrophobicContact CG2-CG2 3.64Å; R321-V324 WeakPolarHBondContact O-CG2 3.24Å; G322-V324 PolarHBondContact O-N 3.43Å; V324-I329 HydrophobicContact CG1-CD1 3.48Å; V324-I329 VanDerWaalsContact CG1-CD1 3.48Å; V324-I329 HydrophobicContact CG1-CG1 3.38Å; V324-V354 HydrophobicContact CB-CG1 3.98Å; V324-V354 HydrophobicContact CB-CG2 4.25Å; V324-V354 HydrophobicContact CG1-CG1 4.28Å; V324-V354 HydrophobicContact CG2-CB 4.41Å; V324-V354 HydrophobicContact CG2-CG1 3.9Å; V324-V354 HydrophobicContact CG2-CG2 3.57Å; V324-V359 HydrophobicContact CG1-CG2 4.21Å
325	T	89.3	Confident	89.8	Confident	64 Å²	64	29.9 Å²	29.9	39%	0.393	17%	0.167	S	C	.	.			trans	-116.3	160.6	171.4	67.9	0	0	0	0	110.2	S327 S328 I329	T325-S327 PolarHBondContact O-N 2.85Å; T325-S327 PolarHBondContact OG1-OG 3.4Å; T325-S328 PolarHBondContact N-OG 3.2Å; T325-S328 PolarHBondContact O-N 3.13Å; T325-S328 VanDerWaalsContact O-N 3.15Å; T325-S328 PolarHBondContact O-OG 3.24Å; T325-S328 PolarHBondContact OG1-N 3.32Å; T325-S328 VanDerWaalsContact OG1-N 3.07Å; T325-S328 PolarHBondContact OG1-OG 2.88Å; T325-I329 PolarHBondContact O-N 2.93Å; T325-I329 VanDerWaalsContact O-N 3.11Å
326	E	91.7	Very high	89.7	Confident	75 Å²	75	29.9 Å²	29.9	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-57.8	-35.9	174.7	-64.2	-179.6	-167.9	0	0	111.7	C330 T358 R361 G362	E326-C330 VanDerWaalsContact O-CB 3.3Å; E326-C330 WeakPolarHBondContact O-CB 3.43Å; E326-C330 PolarHBondContact O-N 3.01Å; E326-T358 HydrophobicContact CG-CG2 3.93Å; E326-R361 HydrophobicContact CG-CB 4Å; E326-R361 VanDerWaalsContact OE1-CD 3.29Å; E326-R361 WeakPolarHBondContact OE1-CD 3.5Å; E326-G362 WeakPolarHBondContact O-CA 3.47Å
327	S	91.5	Very high	89.5	Confident	52 Å²	52	31.2 Å²	31.2	36%	0.364	18%	0.175	S	C	.	.	H	α-helix	trans	-68.8	-40.1	176.4	61.4	0	0	0	0	112.5	T325 I329 C330 E331	T325-S327 PolarHBondContact O-N 2.85Å; T325-S327 PolarHBondContact OG1-OG 3.4Å; S327-I329 VanDerWaalsContact C-N 3.34Å; S327-I329 PolarHBondContact O-N 3.37Å; S327-C330 PolarHBondContact O-N 2.96Å; S327-E331 WeakPolarHBondContact O-CG 3.48Å; S327-E331 PolarHBondContact O-N 2.94Å
328	S	91.4	Very high	89.3	Confident	7 Å²	7	33.7 Å²	33.7	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-38	179.3	70.6	0	0	0	0	111.5	T325 A332	T325-S328 PolarHBondContact N-OG 3.2Å; T325-S328 PolarHBondContact O-N 3.13Å; T325-S328 VanDerWaalsContact O-N 3.15Å; T325-S328 PolarHBondContact O-OG 3.24Å; T325-S328 PolarHBondContact OG1-N 3.32Å; T325-S328 VanDerWaalsContact OG1-N 3.07Å; T325-S328 PolarHBondContact OG1-OG 2.88Å; S328-A332 WeakPolarHBondContact O-CB 3.38Å; S328-A332 PolarHBondContact O-N 2.94Å
329	I	93.5	Very high	89	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-42.9	174.4	-64.8	-59.6	0	0	0	111.4	M293 V320 V324 T325 S327 E331 A332 L333 V359 L363	M293-I329 HydrophobicContact SD-CD1 3.9Å; M293-I329 HydrophobicContact SD-CG2 4.29Å; V320-I329 HydrophobicContact CB-CD1 4.3Å; V320-I329 HydrophobicContact CG1-CD1 4.05Å; V320-I329 HydrophobicContact CG2-CD1 4.25Å; V324-I329 HydrophobicContact CG1-CD1 3.48Å; V324-I329 VanDerWaalsContact CG1-CD1 3.48Å; V324-I329 HydrophobicContact CG1-CG1 3.38Å; T325-I329 PolarHBondContact O-N 2.93Å; T325-I329 VanDerWaalsContact O-N 3.11Å; S327-I329 VanDerWaalsContact C-N 3.34Å; S327-I329 PolarHBondContact O-N 3.37Å; I329-E331 VanDerWaalsContact C-N 3.35Å; I329-E331 PolarHBondContact O-N 2.88Å; I329-A332 PolarHBondContact O-N 2.89Å; I329-L333 PolarHBondContact O-N 2.91Å; I329-V359 HydrophobicContact CD1-CG1 4.38Å; I329-V359 HydrophobicContact CD1-CG2 4.38Å; I329-V359 HydrophobicContact CG1-CG2 4.45Å; I329-V359 HydrophobicContact CG2-CG1 4.36Å; I329-L363 HydrophobicContact CG2-CD2 3.68Å; I329-L363 HydrophobicContact CG2-CG 3.92Å
330	C	93.2	Very high	88.9	Confident	17 Å²	17	39.4 Å²	39.4	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-47.9	178.3	178.8	0	0	0	0	111.7	E326 S327 L333 R334 A366	E326-C330 VanDerWaalsContact O-CB 3.3Å; E326-C330 WeakPolarHBondContact O-CB 3.43Å; E326-C330 PolarHBondContact O-N 3.01Å; S327-C330 PolarHBondContact O-N 2.96Å; C330-L333 PolarHBondContact O-N 3.21Å; C330-R334 PolarHBondContact O-N 3.01Å; C330-A366 HydrophobicContact CB-CB 4.23Å
331	E	92.6	Very high	88.9	Confident	30 Å²	30	43.1 Å²	43.1	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-71.7	-36	-179.9	-67.1	-64.5	126.8	0	0	112.4	Y279 S327 I329 L333 R334 I335	Y279-E331 HydrophobicContact CD1-CB 4.19Å; Y279-E331 HydrophobicContact CD1-CG 3.81Å; Y279-E331 HydrophobicContact CD2-CB 3.73Å; Y279-E331 HydrophobicContact CD2-CG 3.93Å; Y279-E331 HydrophobicContact CE1-CB 4.37Å; Y279-E331 HydrophobicContact CE1-CG 3.57Å; Y279-E331 HydrophobicContact CE2-CB 3.91Å; Y279-E331 HydrophobicContact CE2-CG 3.68Å; Y279-E331 WeakPolarHBondContact CE2-OE2 3.42Å; Y279-E331 HydrophobicContact CG-CB 3.85Å; Y279-E331 HydrophobicContact CG-CG 3.97Å; Y279-E331 VanDerWaalsContact CZ-CG 3.48Å; Y279-E331 PolarHBondContact OH-OE2 2.81Å; S327-E331 WeakPolarHBondContact O-CG 3.48Å; S327-E331 PolarHBondContact O-N 2.94Å; I329-E331 VanDerWaalsContact C-N 3.35Å; I329-E331 PolarHBondContact O-N 2.88Å; E331-L333 VanDerWaalsContact C-N 3.32Å; E331-L333 PolarHBondContact O-N 3.43Å; E331-R334 PolarHBondContact O-N 2.82Å; E331-R334 IonicContact OE1-NE 3.91Å; E331-R334 IonicContact OE2-CZ 2.67Å; E331-R334 IonicContact OE2-NE 3.15Å; E331-R334 PolarHBondContact OE2-NE 2.82Å; E331-R334 IonicContact OE2-NH2 2.54Å; E331-R334 PolarHBondContact OE2-NH2 2.73Å; E331-I335 WeakPolarHBondContact O-CB 3.36Å; E331-I335 WeakPolarHBondContact O-CD1 3.23Å; E331-I335 VanDerWaalsContact O-CG1 3.27Å; E331-I335 WeakPolarHBondContact O-CG1 3.47Å; E331-I335 PolarHBondContact O-N 3.11Å
332	A	94.1	Very high	89.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-46.5	171.3	0	0	0	0	0	111.4	L281 M293 L318 V320 S328 I329 I335 L336	L281-A332 HydrophobicContact CD1-CB 3.79Å; L281-A332 HydrophobicContact CD2-CB 4.36Å; M293-A332 HydrophobicContact CE-CB 3.49Å; M293-A332 VanDerWaalsContact CE-CB 3.49Å; M293-A332 HydrophobicContact CG-CB 4.39Å; M293-A332 HydrophobicContact SD-CB 4Å; L318-A332 HydrophobicContact CD2-CB 3.92Å; V320-A332 HydrophobicContact CG1-CB 4.21Å; S328-A332 WeakPolarHBondContact O-CB 3.38Å; S328-A332 PolarHBondContact O-N 2.94Å; I329-A332 PolarHBondContact O-N 2.89Å; A332-I335 PolarHBondContact O-N 3.37Å; A332-L336 WeakPolarHBondContact O-CG 3.46Å; A332-L336 PolarHBondContact O-N 2.88Å
333	L	94.6	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-42.4	177.7	-172.2	60.4	0	0	0	111.6	M293 I329 C330 E331 I335 L336 V337 V345 L363 A366 M367 I372 L376	M293-L333 HydrophobicContact CE-CB 3.88Å; M293-L333 HydrophobicContact CE-CD1 4.44Å; M293-L333 VanDerWaalsContact CE-N 3.33Å; I329-L333 PolarHBondContact O-N 2.91Å; C330-L333 PolarHBondContact O-N 3.21Å; E331-L333 VanDerWaalsContact C-N 3.32Å; E331-L333 PolarHBondContact O-N 3.43Å; L333-I335 VanDerWaalsContact C-N 3.28Å; L333-I335 PolarHBondContact O-N 3.36Å; L333-L336 PolarHBondContact O-N 3.43Å; L333-V337 HydrophobicContact CD1-CG2 4.09Å; L333-V337 HydrophobicContact CG-CG2 4.23Å; L333-V337 VanDerWaalsContact O-CG2 3.31Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.18Å; L333-V345 HydrophobicContact CD1-CG1 4.23Å; L333-L363 HydrophobicContact CD2-CD2 3.95Å; L333-A366 HydrophobicContact CB-CB 4.31Å; L333-A366 HydrophobicContact CD2-CB 3.78Å; L333-M367 HydrophobicContact CD2-SD 4.38Å; L333-I372 HydrophobicContact CD2-CD1 3.43Å; L333-I372 VanDerWaalsContact CD2-CD1 3.43Å; L333-I372 HydrophobicContact CG-CD1 3.76Å; L333-L376 HydrophobicContact CD1-CD2 4.26Å
334	R	92.6	Very high	92.1	Very high	89 Å²	89	36.1 Å²	36.1	34%	0.336	20%	0.201	S	C	.	.	H	α-helix	trans	-57.8	-41.7	176.6	-171.1	-178.1	69.6	86.2	-3	111.9	E275 C330 E331 A338 M370	E275-R334 IonicContact OE1-NH2 3.95Å; E275-R334 PolarHBondContact OE1-NH2 2.92Å; C330-R334 PolarHBondContact O-N 3.01Å; E331-R334 PolarHBondContact O-N 2.82Å; E331-R334 IonicContact OE1-NE 3.91Å; E331-R334 IonicContact OE2-CZ 2.67Å; E331-R334 IonicContact OE2-NE 3.15Å; E331-R334 PolarHBondContact OE2-NE 2.82Å; E331-R334 IonicContact OE2-NH2 2.54Å; E331-R334 PolarHBondContact OE2-NH2 2.73Å; R334-A338 VanDerWaalsContact O-CB 3.26Å; R334-A338 WeakPolarHBondContact O-CB 3.33Å; R334-A338 PolarHBondContact O-N 3.25Å; R334-A338 VanDerWaalsContact O-N 3.11Å; R334-M370 HydrophobicContact CG-CE 4.23Å
335	I	92.6	Very high	92.7	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-45.8	177.2	-74.9	164.2	0	0	0	111	I272 E275 A276 L281 Y283 E331 A332 L333 A338	I272-I335 HydrophobicContact CG2-CG2 3.51Å; E275-I335 HydrophobicContact CG-CD1 4.49Å; A276-I335 HydrophobicContact CB-CD1 3.88Å; L281-I335 HydrophobicContact CD1-CD1 4.14Å; Y283-I335 HydrophobicContact CD2-CG2 3.97Å; Y283-I335 HydrophobicContact CE2-CG2 3.6Å; E331-I335 WeakPolarHBondContact O-CB 3.36Å; E331-I335 WeakPolarHBondContact O-CD1 3.23Å; E331-I335 VanDerWaalsContact O-CG1 3.27Å; E331-I335 WeakPolarHBondContact O-CG1 3.47Å; E331-I335 PolarHBondContact O-N 3.11Å; A332-I335 PolarHBondContact O-N 3.37Å; L333-I335 VanDerWaalsContact C-N 3.28Å; L333-I335 PolarHBondContact O-N 3.36Å; I335-A338 PolarHBondContact O-N 3.44Å
336	L	94.1	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-44.6	-179.5	-67.5	172.3	0	0	0	112.5	Y283 M293 N316 L318 A332 L333 A338 D339 V345	Y283-L336 HydrophobicContact CE2-CD2 3.95Å; M293-L336 HydrophobicContact CB-CD1 3.99Å; M293-L336 HydrophobicContact CE-CD1 4.04Å; N316-L336 VanDerWaalsContact CG-CD2 3.47Å; N316-L336 WeakPolarHBondContact ND2-CD2 3.43Å; N316-L336 VanDerWaalsContact OD1-CD2 3.23Å; N316-L336 WeakPolarHBondContact OD1-CD2 3.28Å; L318-L336 HydrophobicContact CD2-CD1 4.08Å; L318-L336 HydrophobicContact CD2-CD2 4.27Å; L318-L336 HydrophobicContact CD2-CG 4.17Å; A332-L336 WeakPolarHBondContact O-CG 3.46Å; A332-L336 PolarHBondContact O-N 2.88Å; L333-L336 PolarHBondContact O-N 3.43Å; L336-A338 VanDerWaalsContact C-N 3.25Å; L336-A338 PolarHBondContact O-N 2.79Å; L336-D339 PolarHBondContact O-N 2.96Å; L336-V345 HydrophobicContact CB-CG2 4.22Å; L336-V345 HydrophobicContact CD1-CG1 3.76Å
337	V	92.4	Very high	93.3	Very high	29 Å²	29	28.5 Å²	28.5	18%	0.176	16%	0.16	C	C	.	.	H	α-helix	trans	-70.9	-24.2	-178.6	177.6	0	0	0	0	111.8	L333 D339 M370 I372 L374	L333-V337 HydrophobicContact CD1-CG2 4.09Å; L333-V337 HydrophobicContact CG-CG2 4.23Å; L333-V337 VanDerWaalsContact O-CG2 3.31Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.18Å; V337-D339 VanDerWaalsContact C-N 3.33Å; V337-M370 HydrophobicContact CG1-SD 4.22Å; V337-I372 HydrophobicContact CG1-CG1 4.31Å; V337-I372 HydrophobicContact CG1-CG2 4.49Å; V337-I372 HydrophobicContact CG2-CD1 4.06Å; V337-I372 HydrophobicContact CG2-CG1 4.12Å; V337-I372 HydrophobicContact CG2-CG2 3.87Å; V337-L374 HydrophobicContact CB-CD1 4.38Å; V337-L374 HydrophobicContact CG1-CD1 4.2Å; V337-L374 HydrophobicContact CG2-CD1 4.23Å
338	A	90.5	Very high	93.5	Very high	73 Å²	73	26 Å²	26	60%	0.603	14%	0.142	S	C	*	.	H	α-helix	trans	-76.1	-17.2	177.2	0	0	0	0	0	113.8	R334 I335 L336 P340	R334-A338 VanDerWaalsContact O-CB 3.26Å; R334-A338 WeakPolarHBondContact O-CB 3.33Å; R334-A338 PolarHBondContact O-N 3.25Å; R334-A338 VanDerWaalsContact O-N 3.11Å; I335-A338 PolarHBondContact O-N 3.44Å; L336-A338 VanDerWaalsContact C-N 3.25Å; L336-A338 PolarHBondContact O-N 2.79Å; A338-P340 WeakPolarHBondContact O-CD 3.33Å
339	D	89.7	Confident	93.6	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	14%	0.14	C	C	.	.			trans	-78.8	113.9	175.4	-174.9	-18.5	0	0	0	109.9	L336 V337 K341 V342	L336-D339 PolarHBondContact O-N 2.96Å; V337-D339 VanDerWaalsContact C-N 3.33Å; D339-K341 PolarHBondContact O-N 3.4Å; D339-K341 VanDerWaalsContact O-N 3.07Å; D339-K341 WeakPolarHBondContact OD1-CB 3.39Å; D339-K341 WeakPolarHBondContact OD1-CE 3.27Å; D339-K341 PolarHBondContact OD1-N 2.94Å; D339-K341 VanDerWaalsContact OD2-CE 3.23Å; D339-K341 WeakPolarHBondContact OD2-CE 3.43Å; D339-K341 IonicContact OD2-NZ 2.72Å; D339-V342 HydrophobicContact CB-CG2 3.8Å; D339-V342 WeakPolarHBondContact O-CB 3.31Å; D339-V342 PolarHBondContact O-N 3.41Å
340	P	89.8	Confident	93.5	Very high	129 Å²	129	30.8 Å²	30.8	84%	0.838	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	-176.1	28.3	-36.7	0	0	0	114.1	A338	A338-P340 WeakPolarHBondContact O-CD 3.33Å
341	K	90.7	Very high	92.6	Very high	81 Å²	81	30.2 Å²	30.2	35%	0.352	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.9	174.4	-63	172.5	-70.8	170.1	0	112.3	L286 D289 D339 R343	L286-K341 PolarHBondContact O-NZ 3.13Å; D289-K341 WeakPolarHBondContact CA-O 3.23Å; D289-K341 WeakPolarHBondContact CB-O 3.07Å; D339-K341 PolarHBondContact O-N 3.4Å; D339-K341 VanDerWaalsContact O-N 3.07Å; D339-K341 WeakPolarHBondContact OD1-CB 3.39Å; D339-K341 WeakPolarHBondContact OD1-CE 3.27Å; D339-K341 PolarHBondContact OD1-N 2.94Å; D339-K341 VanDerWaalsContact OD2-CE 3.23Å; D339-K341 WeakPolarHBondContact OD2-CE 3.43Å; D339-K341 IonicContact OD2-NZ 2.72Å; K341-R343 PolarHBondContact O-N 3.44Å
342	V	94.3	Very high	91.9	Very high	6 Å²	6	31.3 Å²	31.3	4%	0.036	18%	0.179	C	C	.	.			trans	-73.7	122.1	-173.7	178.5	0	0	0	0	109.8	D289 A315 D339 C344 V345 L374	D289-V342 CarbonylContact O-C 3.53Å; D289-V342 WeakPolarHBondContact O-CA 3.26Å; A315-V342 HydrophobicContact CB-CG2 3.71Å; D339-V342 HydrophobicContact CB-CG2 3.8Å; D339-V342 WeakPolarHBondContact O-CB 3.31Å; D339-V342 PolarHBondContact O-N 3.41Å; V342-C344 WeakPolarHBondContact CG1-O 3.44Å; V342-V345 HydrophobicContact CG1-CG2 3.97Å; V342-L374 HydrophobicContact CG1-CD1 4.05Å; V342-L374 WeakPolarHBondContact O-CD2 3.35Å
343	R	95.2	Very high	91.1	Very high	70 Å²	70	39 Å²	39	26%	0.264	22%	0.218	S	C	.	.			trans	-112.3	-15.9	179.9	-68.5	-167.7	-81.4	134.4	-3.6	113.4	D289 K341 P375 T416 R420	D289-R343 PolarHBondContact O-N 2.85Å; D289-R343 IonicContact OD2-CZ 2.8Å; D289-R343 IonicContact OD2-NE 3.74Å; D289-R343 IonicContact OD2-NH1 2.85Å; D289-R343 IonicContact OD2-NH2 2.78Å; D289-R343 PolarHBondContact OD2-NH2 3.06Å; K341-R343 PolarHBondContact O-N 3.44Å; R343-P375 WeakPolarHBondContact O-CD 3.41Å; R343-T416 HydrophobicContact CB-CG2 4.19Å; R343-T416 PolarHBondContact NH1-O 3.07Å; R343-R420 VanDerWaalsContact NH2-NE 3.11Å
344	C	96	Very high	90.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.3	172.9	177.3	0	0	0	0	109	D289 I290 G291 V342 P375 C415 T416	D289-C344 PolarHBondContact O-N 2.96Å; I290-C344 CarbonylContact C-O 3.51Å; I290-C344 WeakPolarHBondContact CA-O 3.12Å; G291-C344 PolarHBondContact N-O 3.37Å; V342-C344 WeakPolarHBondContact CG1-O 3.44Å; C344-P375 PolarHBondContact SG-O 3.38Å; C344-C415 HydrophobicContact CB-CB 3.97Å; C344-T416 HydrophobicContact CB-CG2 3.79Å
345	V	96.8	Very high	90.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122	172.4	179	0	0	0	0	110.2	G291 L333 L336 V342 I347 P375 L376 V377	G291-V345 CarbonylContact O-C 3.02Å; G291-V345 VanDerWaalsContact O-CA 3.29Å; G291-V345 WeakPolarHBondContact O-CA 3.31Å; L333-V345 HydrophobicContact CD1-CG1 4.23Å; L336-V345 HydrophobicContact CB-CG2 4.22Å; L336-V345 HydrophobicContact CD1-CG1 3.76Å; V342-V345 HydrophobicContact CG1-CG2 3.97Å; V345-I347 HydrophobicContact CG1-CD1 4.45Å; V345-I347 HydrophobicContact CG1-CG1 3.86Å; V345-P375 PolarHBondContact N-O 3.44Å; V345-L376 HydrophobicContact CB-CD2 3.79Å; V345-L376 HydrophobicContact CG1-CD2 4.42Å; V345-L376 HydrophobicContact CG2-CD2 4.32Å; V345-V377 PolarHBondContact O-N 2.95Å
346	F	97.7	Very high	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.2	170.5	-176	-154.8	0	0	0	111	I290 G291 C292 M293 T303 I307 N348 V377 R379 A412	I290-F346 HydrophobicContact CG2-CB 4.21Å; G291-F346 PolarHBondContact O-N 2.98Å; C292-F346 WeakPolarHBondContact CA-O 3.43Å; M293-F346 PolarHBondContact N-O 2.81Å; T303-F346 HydrophobicContact CG2-CD1 3.62Å; T303-F346 HydrophobicContact CG2-CE1 3.67Å; I307-F346 HydrophobicContact CD1-CD1 4.07Å; I307-F346 HydrophobicContact CG1-CD1 4.22Å; F346-N348 HydrophobicContact CE1-CB 4.3Å; F346-N348 HydrophobicContact CE2-CB 4.12Å; F346-N348 HydrophobicContact CZ-CB 3.94Å; F346-V377 HydrophobicContact CD2-CB 3.97Å; F346-V377 HydrophobicContact CD2-CG1 3.82Å; F346-V377 HydrophobicContact CE2-CG1 4.08Å; F346-R379 HydrophobicContact CE2-CB 4.14Å; F346-A412 HydrophobicContact CB-CB 3.98Å; F346-A412 HydrophobicContact CG-CB 4.27Å
347	I	96.5	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.9	176.9	-52.5	-177.9	0	0	0	108.3	M293 V345 I349 L363 V377 I378 R379	M293-I347 HydrophobicContact CB-CG1 4.31Å; M293-I347 HydrophobicContact CB-CG2 4.47Å; M293-I347 WeakPolarHBondContact O-CA 3.46Å; M293-I347 HydrophobicContact SD-CG2 4.45Å; V345-I347 HydrophobicContact CG1-CD1 4.45Å; V345-I347 HydrophobicContact CG1-CG1 3.86Å; I347-I349 HydrophobicContact CG2-CG1 4Å; I347-L363 HydrophobicContact CD1-CD1 3.87Å; I347-L363 HydrophobicContact CD1-CD2 3.58Å; I347-L363 HydrophobicContact CD1-CG 4.4Å; I347-V377 PolarHBondContact N-O 2.9Å; I347-I378 HydrophobicContact CB-CG1 4.38Å; I347-I378 HydrophobicContact CD1-CD1 4.45Å; I347-I378 HydrophobicContact CD1-CG1 4.27Å; I347-R379 PolarHBondContact O-N 2.95Å
348	N	95.7	Very high	90.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	97.3	-179.7	178	24.5	0	0	0	109.7	M293 V294 T303 F346 R379 F405	M293-N348 PolarHBondContact O-N 3.19Å; V294-N348 WeakPolarHBondContact CA-O 3.15Å; V294-N348 WeakPolarHBondContact CG1-O 3.37Å; V294-N348 HydrophobicContact CG2-CB 4.24Å; T303-N348 HydrophobicContact CG2-CB 4.34Å; T303-N348 PolarHBondContact OG1-ND2 3.17Å; F346-N348 HydrophobicContact CE1-CB 4.3Å; F346-N348 HydrophobicContact CE2-CB 4.12Å; F346-N348 HydrophobicContact CZ-CB 3.94Å; N348-R379 WeakPolarHBondContact OD1-CD 3.33Å; N348-R379 PolarHBondContact OD1-NH1 3.4Å; N348-F405 WeakPolarHBondContact ND2-CE2 3.3Å
349	I	93.9	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.5	179.9	-57.3	-63.5	0	0	0	110.4	N295 V320 I347 V354 V359 R379 L380 C381	N295-I349 HydrophobicContact CB-CD1 3.95Å; N295-I349 VanDerWaalsContact OD1-CA 3.28Å; N295-I349 WeakPolarHBondContact OD1-CA 3.39Å; V320-I349 HydrophobicContact CG2-CD1 4.1Å; I347-I349 HydrophobicContact CG2-CG1 4Å; I349-V354 HydrophobicContact CG2-CB 4.48Å; I349-V354 HydrophobicContact CG2-CG1 4Å; I349-V359 HydrophobicContact CG1-CG1 4.22Å; I349-V359 HydrophobicContact CG1-CG2 4.46Å; I349-V359 HydrophobicContact CG2-CG2 4.25Å; I349-R379 PolarHBondContact N-O 3.11Å; I349-L380 HydrophobicContact CB-CD2 3.76Å; I349-L380 HydrophobicContact CG1-CD2 3.99Å; I349-C381 PolarHBondContact O-N 3.33Å
350	F	89.6	Confident	90.9	Very high	107 Å²	107	35.7 Å²	35.7	47%	0.469	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	99	169	-162.1	-77	0	0	0	109.8	N295 L299 G352 C381	N295-F350 PolarHBondContact ND2-O 3.41Å; N295-F350 PolarHBondContact OD1-N 3.4Å; L299-F350 HydrophobicContact CD2-CB 3.94Å; F350-G352 PolarHBondContact O-N 2.97Å; F350-C381 CarbonylContact C-O 3.59Å; F350-C381 HydrophobicContact CD2-CB 4.35Å
351	G	74.4	Confident	91.2	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	78.9	-179.3	0	0	0	0	0	113.7	V354 C381 G382 T383	G351-V354 WeakPolarHBondContact CA-O 3.24Å; G351-C381 WeakPolarHBondContact CA-O 3.35Å; G351-C381 PolarHBondContact N-O 3.08Å; G351-G382 WeakPolarHBondContact O-CA 3.28Å; G351-T383 PolarHBondContact O-N 3.07Å
352	G	79.1	Confident	91.4	Very high	54 Å²	54	30.6 Å²	30.6	56%	0.557	16%	0.159	S	C	*	.	S	Bend	trans	-83.2	-78.1	159.4	0	0	0	0	0	110.8	F350	F350-G352 PolarHBondContact O-N 2.97Å
353	I	76.5	Confident	91.4	Very high	161 Å²	161	30.4 Å²	30.4	83%	0.826	16%	0.157	S	C	*	.	S	Bend	trans	-85.4	-23.1	175.3	-57.3	171.1	0	0	0	111.3
354	V	82.8	Confident	91.3	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.036	16%	0.157	C	C	.	.	S	Bend	trans	-83.7	128.5	179.8	179.3	0	0	0	0	109.4	N295 V324 I349 G351 V359	N295-V354 HydrophobicContact CB-CG2 4.26Å; V324-V354 HydrophobicContact CB-CG1 3.98Å; V324-V354 HydrophobicContact CB-CG2 4.25Å; V324-V354 HydrophobicContact CG1-CG1 4.28Å; V324-V354 HydrophobicContact CG2-CB 4.41Å; V324-V354 HydrophobicContact CG2-CG1 3.9Å; V324-V354 HydrophobicContact CG2-CG2 3.57Å; I349-V354 HydrophobicContact CG2-CB 4.48Å; I349-V354 HydrophobicContact CG2-CG1 4Å; G351-V354 WeakPolarHBondContact CA-O 3.24Å; V354-V359 HydrophobicContact CG1-CG2 3.73Å
355	N	89.7	Confident	91.2	Very high	49 Å²	49	36.6 Å²	36.6	26%	0.262	18%	0.184	S	C	.	.			trans	-85	121.5	173	-174.3	-28.6	0	0	0	109.3	E357 T358 V359 N384	N355-E357 PolarHBondContact O-N 3.34Å; N355-E357 WeakPolarHBondContact OD1-CB 3Å; N355-E357 PolarHBondContact OD1-N 3.48Å; N355-T358 WeakPolarHBondContact O-CB 3.47Å; N355-T358 PolarHBondContact O-N 3.4Å; N355-T358 VanDerWaalsContact O-N 3.13Å; N355-V359 PolarHBondContact O-N 3.44Å; N355-N384 PolarHBondContact ND2-ND2 3.48Å; N355-N384 WeakPolarHBondContact OD1-CB 3.33Å
356	C	93.8	Very high	90.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-27	-179.2	-65.7	0	0	0	0	112.4	V359 A360 L380 T383 D385 A388	C356-V359 WeakPolarHBondContact O-CB 3.44Å; C356-V359 PolarHBondContact O-N 2.99Å; C356-A360 PolarHBondContact O-N 3.1Å; C356-L380 HydrophobicContact CB-CB 4.29Å; C356-L380 HydrophobicContact CB-CD1 4.41Å; C356-T383 VanDerWaalsContact CB-O 3.29Å; C356-T383 WeakPolarHBondContact CB-O 3.44Å; C356-T383 PolarHBondContact N-O 2.86Å; C356-D385 HydrophobicContact CB-CB 4.37Å; C356-A388 VanDerWaalsContact C-CB 3.49Å; C356-A388 HydrophobicContact CB-CB 3.71Å; C356-A388 VanDerWaalsContact O-CB 3.25Å; C356-A388 WeakPolarHBondContact O-CB 3.47Å
357	E	94.8	Very high	90.4	Very high	41 Å²	41	39.3 Å²	39.3	19%	0.192	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-44.7	173.8	-170.5	-168.9	158.4	0	0	111.6	N355 V359 A360 R361 N384 L387 L391	N355-E357 PolarHBondContact O-N 3.34Å; N355-E357 WeakPolarHBondContact OD1-CB 3Å; N355-E357 PolarHBondContact OD1-N 3.48Å; E357-V359 PolarHBondContact O-N 2.9Å; E357-A360 PolarHBondContact O-N 2.94Å; E357-R361 WeakPolarHBondContact O-CG 3.26Å; E357-R361 PolarHBondContact O-N 3.32Å; E357-R361 IonicContact OE1-CZ 2.7Å; E357-R361 VanDerWaalsContact OE1-CZ 3.27Å; E357-R361 IonicContact OE1-NE 3.88Å; E357-R361 PolarHBondContact OE1-NE 3.08Å; E357-R361 IonicContact OE1-NH2 3.34Å; E357-R361 PolarHBondContact OE1-NH2 3.35Å; E357-N384 HydrophobicContact CB-CB 4.16Å; E357-N384 PolarHBondContact OE2-ND2 2.78Å; E357-L387 HydrophobicContact CG-CD2 4.06Å; E357-L387 HydrophobicContact CG-CG 4.46Å; E357-L391 HydrophobicContact CG-CD1 3.69Å
358	T	93.2	Very high	89.9	Confident	40 Å²	40	42.8 Å²	42.8	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-38.5	176.5	-53	0	0	0	0	110.8	E326 N355 G362	E326-T358 HydrophobicContact CG-CG2 3.93Å; N355-T358 WeakPolarHBondContact O-CB 3.47Å; N355-T358 PolarHBondContact O-N 3.4Å; N355-T358 VanDerWaalsContact O-N 3.13Å; T358-G362 PolarHBondContact O-N 3.24Å
359	V	93.8	Very high	89	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-51.2	175.2	-179.7	0	0	0	0	110.6	V324 I329 I349 V354 N355 C356 E357 R361 G362 L363 L380	V324-V359 HydrophobicContact CG1-CG2 4.21Å; I329-V359 HydrophobicContact CD1-CG1 4.38Å; I329-V359 HydrophobicContact CD1-CG2 4.38Å; I329-V359 HydrophobicContact CG1-CG2 4.45Å; I329-V359 HydrophobicContact CG2-CG1 4.36Å; I349-V359 HydrophobicContact CG1-CG1 4.22Å; I349-V359 HydrophobicContact CG1-CG2 4.46Å; I349-V359 HydrophobicContact CG2-CG2 4.25Å; V354-V359 HydrophobicContact CG1-CG2 3.73Å; N355-V359 PolarHBondContact O-N 3.44Å; C356-V359 WeakPolarHBondContact O-CB 3.44Å; C356-V359 PolarHBondContact O-N 2.99Å; E357-V359 PolarHBondContact O-N 2.9Å; V359-R361 VanDerWaalsContact C-N 3.34Å; V359-R361 PolarHBondContact O-N 3.47Å; V359-G362 PolarHBondContact O-N 3.01Å; V359-G362 VanDerWaalsContact O-N 3.11Å; V359-L363 HydrophobicContact CG1-CD1 4.22Å; V359-L363 HydrophobicContact CG1-CG 4.4Å; V359-L363 WeakPolarHBondContact O-CG 3.41Å; V359-L363 PolarHBondContact O-N 2.58Å; V359-L380 HydrophobicContact CG1-CD2 4Å
360	A	95.2	Very high	88.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-45.1	178.1	0	0	0	0	0	112.3	C356 E357 G362 L363 I364 A388 L391 L392	C356-A360 PolarHBondContact O-N 3.1Å; E357-A360 PolarHBondContact O-N 2.94Å; A360-G362 VanDerWaalsContact C-N 3.34Å; A360-G362 PolarHBondContact O-N 3.47Å; A360-L363 PolarHBondContact O-N 3.45Å; A360-I364 WeakPolarHBondContact O-CD1 3.24Å; A360-I364 VanDerWaalsContact O-CG1 3.23Å; A360-I364 WeakPolarHBondContact O-CG1 3.39Å; A360-I364 PolarHBondContact O-N 2.86Å; A360-A388 HydrophobicContact CB-CB 3.78Å; A360-A388 WeakPolarHBondContact CB-O 3.47Å; A360-L391 HydrophobicContact CB-CB 4.41Å; A360-L392 HydrophobicContact CB-CD1 4.45Å; A360-L392 HydrophobicContact CB-CD2 4.09Å; A360-L392 HydrophobicContact CB-CG 3.95Å
361	R	95.2	Very high	87.5	Confident	104 Å²	104	50.4 Å²	50.4	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-41.9	175.4	-70.1	-179	-174.6	-69.8	-3	112.4	E326 E357 V359 I364 R365 L391	E326-R361 HydrophobicContact CG-CB 4Å; E326-R361 VanDerWaalsContact OE1-CD 3.29Å; E326-R361 WeakPolarHBondContact OE1-CD 3.5Å; E357-R361 WeakPolarHBondContact O-CG 3.26Å; E357-R361 PolarHBondContact O-N 3.32Å; E357-R361 IonicContact OE1-CZ 2.7Å; E357-R361 VanDerWaalsContact OE1-CZ 3.27Å; E357-R361 IonicContact OE1-NE 3.88Å; E357-R361 PolarHBondContact OE1-NE 3.08Å; E357-R361 IonicContact OE1-NH2 3.34Å; E357-R361 PolarHBondContact OE1-NH2 3.35Å; V359-R361 VanDerWaalsContact C-N 3.34Å; V359-R361 PolarHBondContact O-N 3.47Å; R361-I364 PolarHBondContact O-N 2.87Å; R361-R365 WeakPolarHBondContact O-CB 3.32Å; R361-R365 PolarHBondContact O-N 2.94Å; R361-L391 HydrophobicContact CG-CD1 4.48Å
362	G	94	Very high	87.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-43.3	174.2	0	0	0	0	0	112.9	E326 T358 V359 A360 R365 A366	E326-G362 WeakPolarHBondContact O-CA 3.47Å; T358-G362 PolarHBondContact O-N 3.24Å; V359-G362 PolarHBondContact O-N 3.01Å; V359-G362 VanDerWaalsContact O-N 3.11Å; A360-G362 VanDerWaalsContact C-N 3.34Å; A360-G362 PolarHBondContact O-N 3.47Å; G362-R365 PolarHBondContact O-N 2.89Å; G362-A366 PolarHBondContact O-N 3.32Å
363	L	94.6	Very high	88.1	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-45.1	175.8	-63.9	176.5	0	0	0	111.7	I329 L333 I347 V359 A360 R365 A366 M367 I378 L392	I329-L363 HydrophobicContact CG2-CD2 3.68Å; I329-L363 HydrophobicContact CG2-CG 3.92Å; L333-L363 HydrophobicContact CD2-CD2 3.95Å; I347-L363 HydrophobicContact CD1-CD1 3.87Å; I347-L363 HydrophobicContact CD1-CD2 3.58Å; I347-L363 HydrophobicContact CD1-CG 4.4Å; V359-L363 HydrophobicContact CG1-CD1 4.22Å; V359-L363 HydrophobicContact CG1-CG 4.4Å; V359-L363 WeakPolarHBondContact O-CG 3.41Å; V359-L363 PolarHBondContact O-N 2.58Å; A360-L363 PolarHBondContact O-N 3.45Å; L363-R365 VanDerWaalsContact C-N 3.29Å; L363-R365 PolarHBondContact O-N 3.09Å; L363-A366 WeakPolarHBondContact O-CB 3.34Å; L363-A366 PolarHBondContact O-N 2.95Å; L363-A366 VanDerWaalsContact O-N 3.13Å; L363-M367 VanDerWaalsContact O-CG 3.27Å; L363-M367 WeakPolarHBondContact O-CG 3.42Å; L363-M367 PolarHBondContact O-N 3.23Å; L363-I378 HydrophobicContact CD1-CD1 4.13Å; L363-L392 HydrophobicContact CB-CD2 4.06Å; L363-L392 HydrophobicContact CD1-CD2 4.27Å
364	I	94.3	Very high	88.8	Confident	51 Å²	51	48.9 Å²	48.9	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-44.8	176.3	-66.1	161	0	0	0	111.1	A360 R361 A366 M367 G368 L391 L392 A395 I397	A360-I364 WeakPolarHBondContact O-CD1 3.24Å; A360-I364 VanDerWaalsContact O-CG1 3.23Å; A360-I364 WeakPolarHBondContact O-CG1 3.39Å; A360-I364 PolarHBondContact O-N 2.86Å; R361-I364 PolarHBondContact O-N 2.87Å; I364-A366 VanDerWaalsContact C-N 3.32Å; I364-A366 PolarHBondContact O-N 3.49Å; I364-M367 PolarHBondContact O-N 3.31Å; I364-G368 PolarHBondContact O-N 2.67Å; I364-L391 HydrophobicContact CD1-CB 4.01Å; I364-L391 WeakPolarHBondContact CD1-O 3.5Å; I364-L392 HydrophobicContact CG1-CD2 4.08Å; I364-A395 HydrophobicContact CB-CB 4.5Å; I364-A395 HydrophobicContact CD1-CB 3.94Å; I364-A395 HydrophobicContact CG1-CB 3.72Å; I364-A395 HydrophobicContact CG2-CB 3.99Å; I364-I397 HydrophobicContact CB-CD1 4.15Å; I364-I397 HydrophobicContact CG1-CD1 3.49Å; I364-I397 VanDerWaalsContact CG1-CD1 3.49Å
365	R	92.8	Very high	89.4	Confident	150 Å²	150	50.7 Å²	50.7	57%	0.566	30%	0.298	S	S	*	.	H	α-helix	trans	-61.9	-40.6	177.2	-174.1	177.4	177.2	-154.6	-4.2	112.2	R361 G362 L363 G368 G369	R361-R365 WeakPolarHBondContact O-CB 3.32Å; R361-R365 PolarHBondContact O-N 2.94Å; G362-R365 PolarHBondContact O-N 2.89Å; L363-R365 VanDerWaalsContact C-N 3.29Å; L363-R365 PolarHBondContact O-N 3.09Å; R365-G368 PolarHBondContact O-N 3.49Å; R365-G369 PolarHBondContact O-N 2.97Å
366	A	90.9	Very high	89.7	Confident	9 Å²	9	48.4 Å²	48.4	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-47.4	177.9	0	0	0	0	0	112.1	C330 L333 G362 L363 I364 G368 G369 M370	C330-A366 HydrophobicContact CB-CB 4.23Å; L333-A366 HydrophobicContact CB-CB 4.31Å; L333-A366 HydrophobicContact CD2-CB 3.78Å; G362-A366 PolarHBondContact O-N 3.32Å; L363-A366 WeakPolarHBondContact O-CB 3.34Å; L363-A366 PolarHBondContact O-N 2.95Å; L363-A366 VanDerWaalsContact O-N 3.13Å; I364-A366 VanDerWaalsContact C-N 3.32Å; I364-A366 PolarHBondContact O-N 3.49Å; A366-G368 VanDerWaalsContact C-N 3.29Å; A366-G368 PolarHBondContact O-N 3.29Å; A366-G369 PolarHBondContact O-N 2.83Å; A366-G369 VanDerWaalsContact O-N 3.1Å; A366-M370 PolarHBondContact O-N 2.75Å
367	M	87.9	Confident	89.9	Confident	47 Å²	47	48.4 Å²	48.4	23%	0.232	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-32.8	178.4	-63.6	-67.3	-61.5	0	0	112.2	L333 L363 I364 G369 I372 L376 I397	L333-M367 HydrophobicContact CD2-SD 4.38Å; L363-M367 VanDerWaalsContact O-CG 3.27Å; L363-M367 WeakPolarHBondContact O-CG 3.42Å; L363-M367 PolarHBondContact O-N 3.23Å; I364-M367 PolarHBondContact O-N 3.31Å; M367-G369 VanDerWaalsContact C-N 3.27Å; M367-G369 PolarHBondContact O-N 2.82Å; M367-I372 HydrophobicContact CE-CB 3.86Å; M367-I372 HydrophobicContact CG-CD1 4.47Å; M367-I372 HydrophobicContact SD-CB 3.57Å; M367-I372 VanDerWaalsContact SD-CB 3.57Å; M367-I372 HydrophobicContact SD-CD1 3.42Å; M367-I372 WeakPolarHBondContact SD-CD1 3.23Å; M367-I372 HydrophobicContact SD-CG1 3.89Å; M367-I372 HydrophobicContact SD-CG2 4.09Å; M367-L376 HydrophobicContact SD-CD1 4.02Å; M367-I397 HydrophobicContact CB-CD1 4.25Å; M367-I397 HydrophobicContact CB-CG1 4.36Å; M367-I397 HydrophobicContact CE-CG2 4.41Å; M367-I397 HydrophobicContact CG-CD1 3.92Å; M367-I397 HydrophobicContact CG-CG1 4.14Å; M367-I397 HydrophobicContact CG-CG2 4.39Å
368	G	84.4	Confident	90	Very high	74 Å²	74	46.5 Å²	46.5	76%	0.763	28%	0.277	S	S	*	.	H	α-helix	trans	-70.5	-20.9	174.8	0	0	0	0	0	114.1	I364 R365 A366	I364-G368 PolarHBondContact O-N 2.67Å; R365-G368 PolarHBondContact O-N 3.49Å; A366-G368 VanDerWaalsContact C-N 3.29Å; A366-G368 PolarHBondContact O-N 3.29Å
369	G	77.3	Confident	90.1	Very high	72 Å²	72	46.1 Å²	46.1	74%	0.742	27%	0.271	S	S	*	.	H	α-helix	trans	-95.3	-17.7	180	0	0	0	0	0	114.9	R365 A366 M367	R365-G369 PolarHBondContact O-N 2.97Å; A366-G369 PolarHBondContact O-N 2.83Å; A366-G369 VanDerWaalsContact O-N 3.1Å; M367-G369 VanDerWaalsContact C-N 3.27Å; M367-G369 PolarHBondContact O-N 2.82Å
370	M	75.7	Confident	90.2	Very high	76 Å²	76	46.4 Å²	46.4	37%	0.374	27%	0.273	S	S	.	.	S	Bend	trans	-150.6	135.7	-176.2	-176.6	179.7	-72.4	0	0	111	R334 V337 A366 I372	R334-M370 HydrophobicContact CG-CE 4.23Å; V337-M370 HydrophobicContact CG1-SD 4.22Å; A366-M370 PolarHBondContact O-N 2.75Å; M370-I372 HydrophobicContact CB-CG1 4.49Å; M370-I372 HydrophobicContact CG-CG1 4.44Å; M370-I372 PolarHBondContact O-N 2.81Å
371	P	76.7	Confident	90.1	Very high	119 Å²	119	48.2 Å²	48.2	77%	0.773	29%	0.285	S	S	*	.			trans	-69.6	98.4	170.6	28.7	-32.4	0	0	0	109.7
372	I	81.6	Confident	89.9	Confident	22 Å²	22	44.6 Å²	44.6	11%	0.113	28%	0.28	C	S	.	.			trans	-88.6	114.1	175.1	-62.2	173.4	0	0	0	107.9	L333 V337 M367 M370 L374 L376	L333-I372 HydrophobicContact CD2-CD1 3.43Å; L333-I372 VanDerWaalsContact CD2-CD1 3.43Å; L333-I372 HydrophobicContact CG-CD1 3.76Å; V337-I372 HydrophobicContact CG1-CG1 4.31Å; V337-I372 HydrophobicContact CG1-CG2 4.49Å; V337-I372 HydrophobicContact CG2-CD1 4.06Å; V337-I372 HydrophobicContact CG2-CG1 4.12Å; V337-I372 HydrophobicContact CG2-CG2 3.87Å; M367-I372 HydrophobicContact CE-CB 3.86Å; M367-I372 HydrophobicContact CG-CD1 4.47Å; M367-I372 HydrophobicContact SD-CB 3.57Å; M367-I372 VanDerWaalsContact SD-CB 3.57Å; M367-I372 HydrophobicContact SD-CD1 3.42Å; M367-I372 WeakPolarHBondContact SD-CD1 3.23Å; M367-I372 HydrophobicContact SD-CG1 3.89Å; M367-I372 HydrophobicContact SD-CG2 4.09Å; M370-I372 HydrophobicContact CB-CG1 4.49Å; M370-I372 HydrophobicContact CG-CG1 4.44Å; M370-I372 PolarHBondContact O-N 2.81Å; I372-L374 HydrophobicContact CG2-CB 4.4Å; I372-L376 HydrophobicContact CG2-CD2 4.49Å
373	T	84.8	Confident	89.8	Confident	129 Å²	129	47.9 Å²	47.9	79%	0.791	30%	0.3	S	S	*	.			trans	-96.7	-11.2	179.6	54.3	0	0	0	0	113.3
374	L	91.9	Very high	89.7	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.188	32%	0.317	C	S	.	.	S	Bend	trans	-71.3	137.6	-179	-63.2	177.2	0	0	0	110.7	V337 V342 I372 L376	V337-L374 HydrophobicContact CB-CD1 4.38Å; V337-L374 HydrophobicContact CG1-CD1 4.2Å; V337-L374 HydrophobicContact CG2-CD1 4.23Å; V342-L374 HydrophobicContact CG1-CD1 4.05Å; V342-L374 WeakPolarHBondContact O-CD2 3.35Å; I372-L374 HydrophobicContact CG2-CB 4.4Å; L374-L376 PolarHBondContact O-N 3.22Å
375	P	95	Very high	89.7	Confident	44 Å²	44	50.9 Å²	50.9	29%	0.286	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-57.2	129.7	171.3	-22.5	32.1	0	0	0	111.4	R343 C344 V345 C415	R343-P375 WeakPolarHBondContact O-CD 3.41Å; C344-P375 PolarHBondContact SG-O 3.38Å; V345-P375 PolarHBondContact N-O 3.44Å; P375-C415 HydrophobicContact CB-CB 3.96Å; P375-C415 HydrophobicContact CG-CB 4.29Å
376	L	95.9	Very high	89.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.8	174.1	-57.1	-176.5	0	0	0	109.3	L333 V345 M367 I372 L374 I378 I397 F399 H400	L333-L376 HydrophobicContact CD1-CD2 4.26Å; V345-L376 HydrophobicContact CB-CD2 3.79Å; V345-L376 HydrophobicContact CG1-CD2 4.42Å; V345-L376 HydrophobicContact CG2-CD2 4.32Å; M367-L376 HydrophobicContact SD-CD1 4.02Å; I372-L376 HydrophobicContact CG2-CD2 4.49Å; L374-L376 PolarHBondContact O-N 3.22Å; L376-I378 HydrophobicContact CB-CD1 4.31Å; L376-I378 HydrophobicContact CB-CG1 4.22Å; L376-I397 HydrophobicContact CD1-CG2 4.38Å; L376-F399 HydrophobicContact CB-CB 4.17Å; L376-F399 CarbonylContact O-C 3.46Å; L376-F399 VanDerWaalsContact O-CA 3.3Å; L376-F399 WeakPolarHBondContact O-CA 3.37Å; L376-F399 WeakPolarHBondContact O-CB 3.47Å; L376-H400 PolarHBondContact O-N 3.32Å
377	V	97.5	Very high	90	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.9	167.3	-176.3	0	0	0	0	107.7	V345 F346 I347 H400 A402 K411 A412	V345-V377 PolarHBondContact O-N 2.95Å; F346-V377 HydrophobicContact CD2-CB 3.97Å; F346-V377 HydrophobicContact CD2-CG1 3.82Å; F346-V377 HydrophobicContact CE2-CG1 4.08Å; I347-V377 PolarHBondContact N-O 2.9Å; V377-H400 WeakPolarHBondContact CA-O 3.21Å; V377-H400 HydrophobicContact CG2-CB 4.12Å; V377-A402 HydrophobicContact CG1-CB 3.93Å; V377-K411 HydrophobicContact CG1-CB 4.01Å; V377-K411 HydrophobicContact CG2-CB 4.14Å; V377-A412 HydrophobicContact CB-CB 4.49Å; V377-A412 HydrophobicContact CG2-CB 4.14Å
378	I	97.2	Very high	90.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.5	-169.9	-58.5	-177.1	0	0	0	110.8	I347 L363 L376 L380 Y389 L392 F399 H400 A402	I347-I378 HydrophobicContact CB-CG1 4.38Å; I347-I378 HydrophobicContact CD1-CD1 4.45Å; I347-I378 HydrophobicContact CD1-CG1 4.27Å; L363-I378 HydrophobicContact CD1-CD1 4.13Å; L376-I378 HydrophobicContact CB-CD1 4.31Å; L376-I378 HydrophobicContact CB-CG1 4.22Å; I378-L380 HydrophobicContact CG2-CD1 4.17Å; I378-L380 HydrophobicContact CG2-CD2 4.1Å; I378-L380 HydrophobicContact CG2-CG 3.67Å; I378-Y389 HydrophobicContact CG2-CE1 4.04Å; I378-Y389 PolarHBondContact O-OH 3.26Å; I378-Y389 VanDerWaalsContact O-OH 3.07Å; I378-L392 HydrophobicContact CD1-CD1 4.07Å; I378-L392 HydrophobicContact CG2-CD1 4.49Å; I378-F399 HydrophobicContact CB-CD2 4.12Å; I378-F399 HydrophobicContact CD1-CB 3.6Å; I378-F399 HydrophobicContact CD1-CD1 4.37Å; I378-F399 HydrophobicContact CD1-CD2 4.26Å; I378-F399 HydrophobicContact CD1-CG 3.83Å; I378-F399 HydrophobicContact CG1-CB 3.93Å; I378-F399 HydrophobicContact CG1-CD2 4.43Å; I378-F399 HydrophobicContact CG1-CG 4.34Å; I378-H400 PolarHBondContact N-O 2.94Å; I378-A402 PolarHBondContact O-N 3.46Å
379	R	96.2	Very high	91	Very high	32 Å²	32	48.2 Å²	48.2	12%	0.121	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	102.4	169.2	-168.2	-114.1	175.3	170.7	2.3	109.8	F346 I347 N348 I349 Y389 A402	F346-R379 HydrophobicContact CE2-CB 4.14Å; I347-R379 PolarHBondContact O-N 2.95Å; N348-R379 WeakPolarHBondContact OD1-CD 3.33Å; N348-R379 PolarHBondContact OD1-NH1 3.4Å; I349-R379 PolarHBondContact N-O 3.11Å; R379-Y389 WeakPolarHBondContact CA-OH 3.29Å; R379-A402 HydrophobicContact CB-CB 3.83Å; R379-A402 HydrophobicContact CG-CB 4.36Å; R379-A402 WeakPolarHBondContact CG-O 3.5Å
380	L	94.9	Very high	91.9	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.9	171.5	-55.8	-179	0	0	0	107.8	I349 C356 V359 I378 A388 Y389 L392	I349-L380 HydrophobicContact CB-CD2 3.76Å; I349-L380 HydrophobicContact CG1-CD2 3.99Å; C356-L380 HydrophobicContact CB-CB 4.29Å; C356-L380 HydrophobicContact CB-CD1 4.41Å; V359-L380 HydrophobicContact CG1-CD2 4Å; I378-L380 HydrophobicContact CG2-CD1 4.17Å; I378-L380 HydrophobicContact CG2-CD2 4.1Å; I378-L380 HydrophobicContact CG2-CG 3.67Å; L380-A388 HydrophobicContact CD1-CB 3.62Å; L380-Y389 HydrophobicContact CB-CE2 4Å; L380-Y389 PolarHBondContact N-OH 3.3Å; L380-Y389 WeakPolarHBondContact O-CE2 3.37Å; L380-L392 HydrophobicContact CD1-CD1 4.32Å
381	C	92.6	Very high	92.9	Very high	39 Å²	39	48.8 Å²	48.8	26%	0.264	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.5	179.6	178.6	0	0	0	0	109.5	I349 F350 G351	I349-C381 PolarHBondContact O-N 3.33Å; F350-C381 CarbonylContact C-O 3.59Å; F350-C381 HydrophobicContact CD2-CB 4.35Å; G351-C381 WeakPolarHBondContact CA-O 3.35Å; G351-C381 PolarHBondContact N-O 3.08Å
382	G	91.6	Very high	93.8	Very high	28 Å²	28	43.1 Å²	43.1	29%	0.289	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129	-140.6	175.6	0	0	0	0	0	113.6	G351 N384 D385	G351-G382 WeakPolarHBondContact O-CA 3.28Å; G382-N384 PolarHBondContact O-N 2.81Å; G382-D385 PolarHBondContact N-OD2 3.18Å; G382-D385 VanDerWaalsContact O-CG 3.23Å; G382-D385 PolarHBondContact O-N 3.43Å
383	T	91.8	Very high	94.4	Very high	69 Å²	69	48 Å²	48	42%	0.423	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	121.5	-173.5	-56.7	0	0	0	0	111.9	G351 C356 D385	G351-T383 PolarHBondContact O-N 3.07Å; C356-T383 VanDerWaalsContact CB-O 3.29Å; C356-T383 WeakPolarHBondContact CB-O 3.44Å; C356-T383 PolarHBondContact N-O 2.86Å; T383-D385 VanDerWaalsContact C-N 3.3Å; T383-D385 PolarHBondContact O-N 2.98Å
384	N	93.5	Very high	94.9	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	26.3	179.7	-68	-8.4	0	0	0	115.4	N355 E357 G382 Q386 L387 A388	N355-N384 PolarHBondContact ND2-ND2 3.48Å; N355-N384 WeakPolarHBondContact OD1-CB 3.33Å; E357-N384 HydrophobicContact CB-CB 4.16Å; E357-N384 PolarHBondContact OE2-ND2 2.78Å; G382-N384 PolarHBondContact O-N 2.81Å; N384-Q386 PolarHBondContact O-N 3.38Å; N384-L387 HydrophobicContact CB-CB 4.29Å; N384-L387 PolarHBondContact O-N 2.97Å; N384-A388 WeakPolarHBondContact O-CB 3.47Å; N384-A388 PolarHBondContact O-N 2.95Å
385	D	94	Very high	95	Very high	46 Å²	46	49.6 Å²	49.6	25%	0.246	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-46.9	177.6	54	11.5	0	0	0	113.6	C356 G382 T383 L387 A388 Y389	C356-D385 HydrophobicContact CB-CB 4.37Å; G382-D385 PolarHBondContact N-OD2 3.18Å; G382-D385 VanDerWaalsContact O-CG 3.23Å; G382-D385 PolarHBondContact O-N 3.43Å; T383-D385 VanDerWaalsContact C-N 3.3Å; T383-D385 PolarHBondContact O-N 2.98Å; D385-L387 VanDerWaalsContact C-N 3.28Å; D385-L387 PolarHBondContact O-N 2.85Å; D385-A388 WeakPolarHBondContact O-CB 3.29Å; D385-A388 PolarHBondContact O-N 3.12Å; D385-A388 VanDerWaalsContact O-N 3.09Å; D385-Y389 VanDerWaalsContact O-CD2 3.23Å; D385-Y389 WeakPolarHBondContact O-CD2 3.44Å; D385-Y389 PolarHBondContact O-N 3.35Å
386	Q	94.5	Very high	94.8	Very high	150 Å²	150	49.9 Å²	49.9	70%	0.701	27%	0.27	S	S	*	.	H	α-helix	trans	-61.3	-35.4	177	-66.9	-177.4	-3.5	0	0	112.8	N384 R390	N384-Q386 PolarHBondContact O-N 3.38Å; Q386-R390 WeakPolarHBondContact O-CG 3.34Å; Q386-R390 PolarHBondContact O-N 3.02Å; Q386-R390 PolarHBondContact O-NE 3.07Å
387	L	95.6	Very high	94.5	Very high	51 Å²	51	50.5 Å²	50.5	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-71.2	-40.8	174.7	177	61.3	0	0	0	110.6	E357 N384 D385 Y389 R390 L391	E357-L387 HydrophobicContact CG-CD2 4.06Å; E357-L387 HydrophobicContact CG-CG 4.46Å; N384-L387 HydrophobicContact CB-CB 4.29Å; N384-L387 PolarHBondContact O-N 2.97Å; D385-L387 VanDerWaalsContact C-N 3.28Å; D385-L387 PolarHBondContact O-N 2.85Å; L387-Y389 PolarHBondContact O-N 2.89Å; L387-R390 PolarHBondContact O-N 3.21Å; L387-L391 HydrophobicContact CD1-CD1 4.47Å; L387-L391 HydrophobicContact CD1-CG 4.28Å; L387-L391 HydrophobicContact CG-CD1 4.19Å; L387-L391 HydrophobicContact CG-CG 4.45Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 3.42Å
388	A	95.9	Very high	94.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-47.2	178	0	0	0	0	0	111.7	C356 A360 L380 N384 D385 L391 L392	C356-A388 VanDerWaalsContact C-CB 3.49Å; C356-A388 HydrophobicContact CB-CB 3.71Å; C356-A388 VanDerWaalsContact O-CB 3.25Å; C356-A388 WeakPolarHBondContact O-CB 3.47Å; A360-A388 HydrophobicContact CB-CB 3.78Å; A360-A388 WeakPolarHBondContact CB-O 3.47Å; L380-A388 HydrophobicContact CD1-CB 3.62Å; N384-A388 WeakPolarHBondContact O-CB 3.47Å; N384-A388 PolarHBondContact O-N 2.95Å; D385-A388 WeakPolarHBondContact O-CB 3.29Å; D385-A388 PolarHBondContact O-N 3.12Å; D385-A388 VanDerWaalsContact O-N 3.09Å; A388-L391 PolarHBondContact O-N 3.17Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 3.46Å; A388-L392 VanDerWaalsContact O-N 3.08Å
389	Y	96.5	Very high	94.1	Very high	24 Å²	24	60.5 Å²	60.5	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-44.4	176.4	-74.9	-62.7	0	0	0	112.6	I378 R379 L380 D385 L387 L391 L392 E393 F399 H401	I378-Y389 HydrophobicContact CG2-CE1 4.04Å; I378-Y389 PolarHBondContact O-OH 3.26Å; I378-Y389 VanDerWaalsContact O-OH 3.07Å; R379-Y389 WeakPolarHBondContact CA-OH 3.29Å; L380-Y389 HydrophobicContact CB-CE2 4Å; L380-Y389 PolarHBondContact N-OH 3.3Å; L380-Y389 WeakPolarHBondContact O-CE2 3.37Å; D385-Y389 VanDerWaalsContact O-CD2 3.23Å; D385-Y389 WeakPolarHBondContact O-CD2 3.44Å; D385-Y389 PolarHBondContact O-N 3.35Å; L387-Y389 PolarHBondContact O-N 2.89Å; Y389-L391 VanDerWaalsContact C-N 3.34Å; Y389-L391 PolarHBondContact O-N 3.4Å; Y389-L392 HydrophobicContact CD1-CD1 4.5Å; Y389-L392 PolarHBondContact O-N 3.01Å; Y389-E393 WeakPolarHBondContact O-CG 3.31Å; Y389-E393 PolarHBondContact O-N 3.35Å; Y389-F399 AromaticContact CD1-CE2 3.67Å; Y389-F399 HydrophobicContact CD1-CE2 3.67Å; Y389-F399 AromaticContact CD1-CZ 3.83Å; Y389-F399 HydrophobicContact CD1-CZ 3.83Å; Y389-F399 AromaticContact CE1-CE2 3.85Å; Y389-F399 HydrophobicContact CE1-CE2 3.85Å; Y389-F399 HydrophobicContact CE1-CZ 4.45Å; Y389-H401 AromaticContact CD1-CD2 3.7Å; Y389-H401 AromaticContact CE1-CD2 3.28Å; Y389-H401 WeakPolarHBondContact CE1-CD2 3.33Å; Y389-H401 AromaticContact CE1-NE2 3.8Å; Y389-H401 AromaticContact CE2-CD2 3.86Å; Y389-H401 AromaticContact CE2-NE2 3.47Å; Y389-H401 WeakPolarHBondContact CE2-NE2 3.42Å; Y389-H401 AromaticContact CZ-CD2 3.34Å; Y389-H401 AromaticContact CZ-NE2 3.32Å; Y389-H401 VanDerWaalsContact CZ-NE2 3.32Å
390	R	96.8	Very high	94.1	Very high	133 Å²	133	63.3 Å²	63.3	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-43.5	174.6	-75.6	-172.5	-67.7	155.7	-2.5	112.6	Q386 L387 L392 E393 E394	Q386-R390 WeakPolarHBondContact O-CG 3.34Å; Q386-R390 PolarHBondContact O-N 3.02Å; Q386-R390 PolarHBondContact O-NE 3.07Å; L387-R390 PolarHBondContact O-N 3.21Å; R390-L392 VanDerWaalsContact C-N 3.32Å; R390-L392 PolarHBondContact O-N 2.78Å; R390-E393 PolarHBondContact O-N 3.38Å; R390-E394 WeakPolarHBondContact O-CB 3.44Å; R390-E394 VanDerWaalsContact O-CG 3.27Å; R390-E394 WeakPolarHBondContact O-CG 3.33Å; R390-E394 PolarHBondContact O-N 3.1Å
391	L	96.6	Very high	94.1	Very high	27 Å²	27	66.1 Å²	66.1	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-38.9	177.5	-72.2	172.8	0	0	0	112.3	E357 A360 R361 I364 L387 A388 Y389 A395	E357-L391 HydrophobicContact CG-CD1 3.69Å; A360-L391 HydrophobicContact CB-CB 4.41Å; R361-L391 HydrophobicContact CG-CD1 4.48Å; I364-L391 HydrophobicContact CD1-CB 4.01Å; I364-L391 WeakPolarHBondContact CD1-O 3.5Å; L387-L391 HydrophobicContact CD1-CD1 4.47Å; L387-L391 HydrophobicContact CD1-CG 4.28Å; L387-L391 HydrophobicContact CG-CD1 4.19Å; L387-L391 HydrophobicContact CG-CG 4.45Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 3.42Å; A388-L391 PolarHBondContact O-N 3.17Å; Y389-L391 VanDerWaalsContact C-N 3.34Å; Y389-L391 PolarHBondContact O-N 3.4Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.43Å; L391-A395 PolarHBondContact O-N 3.24Å
392	L	95.3	Very high	94.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-43.1	176.8	-67.2	171.8	0	0	0	111.5	A360 L363 I364 I378 L380 A388 Y389 R390 A395 G396 I397 F399	A360-L392 HydrophobicContact CB-CD1 4.45Å; A360-L392 HydrophobicContact CB-CD2 4.09Å; A360-L392 HydrophobicContact CB-CG 3.95Å; L363-L392 HydrophobicContact CB-CD2 4.06Å; L363-L392 HydrophobicContact CD1-CD2 4.27Å; I364-L392 HydrophobicContact CG1-CD2 4.08Å; I378-L392 HydrophobicContact CD1-CD1 4.07Å; I378-L392 HydrophobicContact CG2-CD1 4.49Å; L380-L392 HydrophobicContact CD1-CD1 4.32Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 3.46Å; A388-L392 VanDerWaalsContact O-N 3.08Å; Y389-L392 HydrophobicContact CD1-CD1 4.5Å; Y389-L392 PolarHBondContact O-N 3.01Å; R390-L392 VanDerWaalsContact C-N 3.32Å; R390-L392 PolarHBondContact O-N 2.78Å; L392-A395 PolarHBondContact O-N 3.1Å; L392-G396 PolarHBondContact O-N 3.2Å; L392-I397 HydrophobicContact CD2-CD1 3.76Å; L392-I397 PolarHBondContact O-N 3.07Å; L392-I397 VanDerWaalsContact O-N 3.09Å; L392-F399 HydrophobicContact CB-CD1 4.24Å; L392-F399 HydrophobicContact CB-CE1 3.64Å; L392-F399 HydrophobicContact CB-CZ 4.31Å; L392-F399 HydrophobicContact CD1-CE1 4.34Å
393	E	95.1	Very high	94.3	Very high	125 Å²	125	70.2 Å²	70.2	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-65.1	-46.4	176.8	-70.6	172.8	177.3	0	0	112	Y389 R390 A395 G396 F399	Y389-E393 WeakPolarHBondContact O-CG 3.31Å; Y389-E393 PolarHBondContact O-N 3.35Å; R390-E393 PolarHBondContact O-N 3.38Å; E393-A395 PolarHBondContact O-N 3.05Å; E393-G396 PolarHBondContact O-N 2.96Å; E393-F399 HydrophobicContact CG-CE1 4.22Å; E393-F399 HydrophobicContact CG-CZ 4.15Å
394	E	95.6	Very high	94.3	Very high	147 Å²	147	70.7 Å²	70.7	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-62.1	-31.6	176.9	-74.4	172.3	-170.8	0	0	112.3	R390 G396	R390-E394 WeakPolarHBondContact O-CB 3.44Å; R390-E394 VanDerWaalsContact O-CG 3.27Å; R390-E394 WeakPolarHBondContact O-CG 3.33Å; R390-E394 PolarHBondContact O-N 3.1Å; E394-G396 PolarHBondContact O-N 3Å
395	A	93.2	Very high	94.2	Very high	50 Å²	50	70 Å²	70	41%	0.413	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.8	174.2	0	0	0	0	0	113.8	I364 L391 L392 E393 I397	I364-A395 HydrophobicContact CB-CB 4.5Å; I364-A395 HydrophobicContact CD1-CB 3.94Å; I364-A395 HydrophobicContact CG1-CB 3.72Å; I364-A395 HydrophobicContact CG2-CB 3.99Å; L391-A395 VanDerWaalsContact O-CB 3.28Å; L391-A395 WeakPolarHBondContact O-CB 3.43Å; L391-A395 PolarHBondContact O-N 3.24Å; L392-A395 PolarHBondContact O-N 3.1Å; E393-A395 PolarHBondContact O-N 3.05Å; A395-I397 VanDerWaalsContact C-N 3.33Å; A395-I397 HydrophobicContact CB-CD1 4.13Å; A395-I397 HydrophobicContact CB-CG1 4.18Å; A395-I397 PolarHBondContact O-N 3.5Å
396	G	91.3	Very high	94.3	Very high	51 Å²	51	70 Å²	70	53%	0.526	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	24.1	-179.6	0	0	0	0	0	114	L392 E393 E394	L392-G396 PolarHBondContact O-N 3.2Å; E393-G396 PolarHBondContact O-N 2.96Å; E394-G396 PolarHBondContact O-N 3Å
397	I	89.9	Confident	94.4	Very high	15 Å²	15	64.4 Å²	64.4	8%	0.077	32%	0.324	C	S	.	.			trans	-80.6	123.1	178.3	-63.3	170.1	0	0	0	108.8	I364 M367 L376 L392 A395 F399	I364-I397 HydrophobicContact CB-CD1 4.15Å; I364-I397 HydrophobicContact CG1-CD1 3.49Å; I364-I397 VanDerWaalsContact CG1-CD1 3.49Å; M367-I397 HydrophobicContact CB-CD1 4.25Å; M367-I397 HydrophobicContact CB-CG1 4.36Å; M367-I397 HydrophobicContact CE-CG2 4.41Å; M367-I397 HydrophobicContact CG-CD1 3.92Å; M367-I397 HydrophobicContact CG-CG1 4.14Å; M367-I397 HydrophobicContact CG-CG2 4.39Å; L376-I397 HydrophobicContact CD1-CG2 4.38Å; L392-I397 HydrophobicContact CD2-CD1 3.76Å; L392-I397 PolarHBondContact O-N 3.07Å; L392-I397 VanDerWaalsContact O-N 3.09Å; A395-I397 VanDerWaalsContact C-N 3.33Å; A395-I397 HydrophobicContact CB-CD1 4.13Å; A395-I397 HydrophobicContact CB-CG1 4.18Å; A395-I397 PolarHBondContact O-N 3.5Å; I397-F399 HydrophobicContact CG2-CD1 4.37Å; I397-F399 VanDerWaalsContact O-CD1 3.25Å; I397-F399 WeakPolarHBondContact O-CD1 3.49Å
398	H	91.5	Very high	94.5	Very high	171 Å²	171	62 Å²	62	79%	0.792	31%	0.312	S	S	*	.			trans	-81.9	124	173.7	-65.3	-70.4	0	0	0	110.6
399	F	94	Very high	94.5	Very high	38 Å²	38	62 Å²	62	17%	0.167	31%	0.312	C	S	.	.			trans	-148.1	155.8	176.4	61.9	-87.5	0	0	0	111.3	L376 I378 Y389 L392 E393 I397 H401	L376-F399 HydrophobicContact CB-CB 4.17Å; L376-F399 CarbonylContact O-C 3.46Å; L376-F399 VanDerWaalsContact O-CA 3.3Å; L376-F399 WeakPolarHBondContact O-CA 3.37Å; L376-F399 WeakPolarHBondContact O-CB 3.47Å; I378-F399 HydrophobicContact CB-CD2 4.12Å; I378-F399 HydrophobicContact CD1-CB 3.6Å; I378-F399 HydrophobicContact CD1-CD1 4.37Å; I378-F399 HydrophobicContact CD1-CD2 4.26Å; I378-F399 HydrophobicContact CD1-CG 3.83Å; I378-F399 HydrophobicContact CG1-CB 3.93Å; I378-F399 HydrophobicContact CG1-CD2 4.43Å; I378-F399 HydrophobicContact CG1-CG 4.34Å; Y389-F399 AromaticContact CD1-CE2 3.67Å; Y389-F399 HydrophobicContact CD1-CE2 3.67Å; Y389-F399 AromaticContact CD1-CZ 3.83Å; Y389-F399 HydrophobicContact CD1-CZ 3.83Å; Y389-F399 AromaticContact CE1-CE2 3.85Å; Y389-F399 HydrophobicContact CE1-CE2 3.85Å; Y389-F399 HydrophobicContact CE1-CZ 4.45Å; L392-F399 HydrophobicContact CB-CD1 4.24Å; L392-F399 HydrophobicContact CB-CE1 3.64Å; L392-F399 HydrophobicContact CB-CZ 4.31Å; L392-F399 HydrophobicContact CD1-CE1 4.34Å; E393-F399 HydrophobicContact CG-CE1 4.22Å; E393-F399 HydrophobicContact CG-CZ 4.15Å; I397-F399 HydrophobicContact CG2-CD1 4.37Å; I397-F399 VanDerWaalsContact O-CD1 3.25Å; I397-F399 WeakPolarHBondContact O-CD1 3.49Å; F399-H401 HydrophobicContact CD2-CB 4.43Å; F399-H401 HydrophobicContact CE2-CB 4.06Å
400	H	95.8	Very high	94.5	Very high	91 Å²	91	65 Å²	65	42%	0.421	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	111.6	168	-61.8	-94.5	0	0	0	108.5	L376 V377 I378 A402 K411	L376-H400 PolarHBondContact O-N 3.32Å; V377-H400 WeakPolarHBondContact CA-O 3.21Å; V377-H400 HydrophobicContact CG2-CB 4.12Å; I378-H400 PolarHBondContact N-O 2.94Å; H400-A402 PolarHBondContact O-N 2.86Å; H400-K411 HydrophobicContact CB-CD 4.45Å
401	H	95.5	Very high	94.5	Very high	65 Å²	65	60.5 Å²	60.5	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123	175	-179.4	-81.3	0	0	0	110.2	Y389 F399 F403 K411	Y389-H401 AromaticContact CD1-CD2 3.7Å; Y389-H401 AromaticContact CE1-CD2 3.28Å; Y389-H401 WeakPolarHBondContact CE1-CD2 3.33Å; Y389-H401 AromaticContact CE1-NE2 3.8Å; Y389-H401 AromaticContact CE2-CD2 3.86Å; Y389-H401 AromaticContact CE2-NE2 3.47Å; Y389-H401 WeakPolarHBondContact CE2-NE2 3.42Å; Y389-H401 AromaticContact CZ-CD2 3.34Å; Y389-H401 AromaticContact CZ-NE2 3.32Å; Y389-H401 VanDerWaalsContact CZ-NE2 3.32Å; F399-H401 HydrophobicContact CD2-CB 4.43Å; F399-H401 HydrophobicContact CE2-CB 4.06Å; H401-F403 AromaticContact CE1-CD1 3.49Å; H401-F403 VanDerWaalsContact CE1-CD1 3.49Å; H401-F403 WeakPolarHBondContact CE1-CD1 3.39Å; H401-F403 AromaticContact CE1-CE1 3.72Å; H401-F403 AromaticContact ND1-CD1 3.49Å; H401-F403 WeakPolarHBondContact ND1-CD1 3.28Å; H401-F403 AromaticContact ND1-CE1 3.44Å; H401-F403 WeakPolarHBondContact ND1-CE1 3.27Å; H401-F403 AromaticContact ND1-CZ 3.99Å; H401-K411 PolarHBondContact O-NZ 3.32Å
402	A	95.6	Very high	94.5	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.008	30%	0.304	C	S	.	.			trans	-103.3	120.7	175.8	0	0	0	0	0	111.1	V377 I378 R379 H400 D407	V377-A402 HydrophobicContact CG1-CB 3.93Å; I378-A402 PolarHBondContact O-N 3.46Å; R379-A402 HydrophobicContact CB-CB 3.83Å; R379-A402 HydrophobicContact CG-CB 4.36Å; R379-A402 WeakPolarHBondContact CG-O 3.5Å; H400-A402 PolarHBondContact O-N 2.86Å; A402-D407 WeakPolarHBondContact CA-OD2 3.42Å
403	F	91.7	Very high	94.6	Very high	152 Å²	152	60.2 Å²	60.2	67%	0.667	31%	0.31	S	S	*	.	S	Bend	trans	-75.6	-36.8	-174.3	-59.9	-71.7	0	0	0	112.6	H401 D407	H401-F403 AromaticContact CE1-CD1 3.49Å; H401-F403 VanDerWaalsContact CE1-CD1 3.49Å; H401-F403 WeakPolarHBondContact CE1-CD1 3.39Å; H401-F403 AromaticContact CE1-CE1 3.72Å; H401-F403 AromaticContact ND1-CD1 3.49Å; H401-F403 WeakPolarHBondContact ND1-CD1 3.28Å; H401-F403 AromaticContact ND1-CE1 3.44Å; H401-F403 WeakPolarHBondContact ND1-CE1 3.27Å; H401-F403 AromaticContact ND1-CZ 3.99Å; F403-D407 VanDerWaalsContact CD2-OD2 3.28Å; F403-D407 WeakPolarHBondContact CD2-OD2 3.49Å; F403-D407 PolarHBondContact N-OD2 3.31Å
404	D	93	Very high	94.6	Very high	79 Å²	79	59.5 Å²	59.5	42%	0.422	31%	0.306	S	S	.	.	S	Bend	trans	-143.7	-170.6	177.9	66.4	41.7	0	0	0	111.2	S406 D407 G408	D404-S406 WeakPolarHBondContact OD1-CA 3.35Å; D404-S406 WeakPolarHBondContact OD1-CB 3.42Å; D404-S406 PolarHBondContact OD1-N 2.79Å; D404-D407 WeakPolarHBondContact OD1-CB 3.25Å; D404-D407 PolarHBondContact OD1-N 3.35Å; D404-G408 PolarHBondContact O-N 3Å
405	F	91.5	Very high	94.5	Very high	53 Å²	53	52.9 Å²	52.9	23%	0.232	28%	0.276	C	S	.	.	H	α-helix	trans	-70.4	-38.7	-175.6	-164.2	-165.5	0	0	0	112.8	L299 A302 T303 I306 N348 A409	L299-F405 HydrophobicContact CD1-CE1 4.35Å; L299-F405 HydrophobicContact CD1-CZ 4.09Å; A302-F405 VanDerWaalsContact C-CZ 3.49Å; A302-F405 HydrophobicContact CB-CE1 3.98Å; A302-F405 HydrophobicContact CB-CZ 3.9Å; A302-F405 WeakPolarHBondContact O-CZ 3.35Å; T303-F405 HydrophobicContact CG2-CE2 4.23Å; T303-F405 WeakPolarHBondContact OG1-CE2 3.49Å; I306-F405 HydrophobicContact CB-CZ 4.46Å; I306-F405 HydrophobicContact CD1-CB 4.41Å; I306-F405 HydrophobicContact CD1-CD1 4.01Å; I306-F405 HydrophobicContact CD1-CD2 4.26Å; I306-F405 HydrophobicContact CD1-CE1 4.4Å; I306-F405 HydrophobicContact CD1-CG 3.95Å; I306-F405 HydrophobicContact CG2-CD2 3.98Å; I306-F405 HydrophobicContact CG2-CE1 4.37Å; I306-F405 HydrophobicContact CG2-CE2 3.49Å; I306-F405 VanDerWaalsContact CG2-CE2 3.49Å; I306-F405 HydrophobicContact CG2-CZ 3.74Å; N348-F405 WeakPolarHBondContact ND2-CE2 3.3Å; F405-A409 PolarHBondContact O-N 3.28Å
406	S	95.2	Very high	94.3	Very high	48 Å²	48	50.9 Å²	50.9	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-71.8	-48.3	-179.7	-77.4	0	0	0	0	111.2	Y310 D404 G408 A409 E410	Y310-S406 VanDerWaalsContact OH-CB 3.31Å; Y310-S406 WeakPolarHBondContact OH-CB 3.44Å; Y310-S406 PolarHBondContact OH-OG 3.39Å; D404-S406 WeakPolarHBondContact OD1-CA 3.35Å; D404-S406 WeakPolarHBondContact OD1-CB 3.42Å; D404-S406 PolarHBondContact OD1-N 2.79Å; S406-G408 VanDerWaalsContact C-N 3.28Å; S406-G408 PolarHBondContact O-N 2.54Å; S406-A409 PolarHBondContact O-N 3.43Å; S406-A409 VanDerWaalsContact O-N 3.12Å; S406-E410 PolarHBondContact O-N 2.96Å
407	D	97.1	Very high	93.6	Very high	32 Å²	32	53 Å²	53	17%	0.171	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-38.3	177.9	174.3	66.5	0	0	0	111.8	A402 F403 D404 K411	A402-D407 WeakPolarHBondContact CA-OD2 3.42Å; F403-D407 VanDerWaalsContact CD2-OD2 3.28Å; F403-D407 WeakPolarHBondContact CD2-OD2 3.49Å; F403-D407 PolarHBondContact N-OD2 3.31Å; D404-D407 WeakPolarHBondContact OD1-CB 3.25Å; D404-D407 PolarHBondContact OD1-N 3.35Å; D407-K411 WeakPolarHBondContact O-CB 3.28Å; D407-K411 WeakPolarHBondContact O-CD 3.36Å; D407-K411 VanDerWaalsContact O-CG 3.32Å; D407-K411 WeakPolarHBondContact O-CG 3.49Å; D407-K411 PolarHBondContact O-N 2.76Å; D407-K411 WeakPolarHBondContact OD1-CE 3.42Å; D407-K411 IonicContact OD1-NZ 3.4Å; D407-K411 PolarHBondContact OD1-NZ 3.1Å; D407-K411 IonicContact OD2-NZ 2.6Å; D407-K411 PolarHBondContact OD2-NZ 3Å
408	G	96.5	Very high	92.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-39.5	174.5	0	0	0	0	0	113.7	D404 S406 A412	D404-G408 PolarHBondContact O-N 3Å; S406-G408 VanDerWaalsContact C-N 3.28Å; S406-G408 PolarHBondContact O-N 2.54Å; G408-A412 WeakPolarHBondContact O-CB 3.08Å; G408-A412 PolarHBondContact O-N 3.5Å; G408-A412 VanDerWaalsContact O-N 3.1Å
409	A	96.7	Very high	90.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-48.6	176.8	0	0	0	0	0	111.5	I306 Y310 F405 S406 K411 A412 V413	I306-A409 HydrophobicContact CB-CB 4.33Å; I306-A409 HydrophobicContact CD1-CB 4.35Å; I306-A409 HydrophobicContact CG1-CB 3.87Å; I306-A409 HydrophobicContact CG2-CB 3.79Å; Y310-A409 HydrophobicContact CD2-CB 3.76Å; Y310-A409 HydrophobicContact CE2-CB 4.2Å; Y310-A409 HydrophobicContact CG-CB 4.48Å; F405-A409 PolarHBondContact O-N 3.28Å; S406-A409 PolarHBondContact O-N 3.43Å; S406-A409 VanDerWaalsContact O-N 3.12Å; A409-K411 PolarHBondContact O-N 3.33Å; A409-A412 PolarHBondContact O-N 3.41Å; A409-V413 WeakPolarHBondContact O-CG2 3.39Å; A409-V413 PolarHBondContact O-N 3.09Å
410	E	96.8	Very high	88.1	Confident	88 Å²	88	58.8 Å²	58.8	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-49.9	179.1	-172	166.4	-149.4	0	0	111.5	Y310 S406 A412 V413 E414	Y310-E410 HydrophobicContact CD1-CB 3.94Å; Y310-E410 HydrophobicContact CD1-CG 4.17Å; Y310-E410 HydrophobicContact CE1-CB 3.97Å; Y310-E410 HydrophobicContact CE1-CG 4.25Å; Y310-E410 HydrophobicContact CG-CB 4.5Å; S406-E410 PolarHBondContact O-N 2.96Å; E410-A412 VanDerWaalsContact C-N 3.3Å; E410-A412 PolarHBondContact O-N 3.45Å; E410-V413 PolarHBondContact O-N 2.72Å; E410-V413 VanDerWaalsContact O-N 3.13Å; E410-E414 WeakPolarHBondContact O-CG 3.49Å; E410-E414 PolarHBondContact O-N 2.85Å
411	K	97.2	Very high	84.9	Confident	37 Å²	37	60.7 Å²	60.7	16%	0.161	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-38.5	175.9	-76.5	168.9	175	159.6	0	113.2	V377 H400 H401 D407 A409 V413 E414 C415	V377-K411 HydrophobicContact CG1-CB 4.01Å; V377-K411 HydrophobicContact CG2-CB 4.14Å; H400-K411 HydrophobicContact CB-CD 4.45Å; H401-K411 PolarHBondContact O-NZ 3.32Å; D407-K411 WeakPolarHBondContact O-CB 3.28Å; D407-K411 WeakPolarHBondContact O-CD 3.36Å; D407-K411 VanDerWaalsContact O-CG 3.32Å; D407-K411 WeakPolarHBondContact O-CG 3.49Å; D407-K411 PolarHBondContact O-N 2.76Å; D407-K411 WeakPolarHBondContact OD1-CE 3.42Å; D407-K411 IonicContact OD1-NZ 3.4Å; D407-K411 PolarHBondContact OD1-NZ 3.1Å; D407-K411 IonicContact OD2-NZ 2.6Å; D407-K411 PolarHBondContact OD2-NZ 3Å; A409-K411 PolarHBondContact O-N 3.33Å; K411-V413 VanDerWaalsContact C-N 3.33Å; K411-E414 PolarHBondContact O-N 3.06Å; K411-C415 WeakPolarHBondContact O-CB 3.32Å; K411-C415 PolarHBondContact O-N 2.92Å; K411-C415 PolarHBondContact O-SG 3.13Å
412	A	96.9	Very high	84.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.5	-39.3	178.3	0	0	0	0	0	111.4	I290 F346 V377 G408 A409 E410 T416	I290-A412 HydrophobicContact CD1-CB 4.47Å; I290-A412 HydrophobicContact CG2-CB 4.09Å; F346-A412 HydrophobicContact CB-CB 3.98Å; F346-A412 HydrophobicContact CG-CB 4.27Å; V377-A412 HydrophobicContact CB-CB 4.49Å; V377-A412 HydrophobicContact CG2-CB 4.14Å; G408-A412 WeakPolarHBondContact O-CB 3.08Å; G408-A412 PolarHBondContact O-N 3.5Å; G408-A412 VanDerWaalsContact O-N 3.1Å; A409-A412 PolarHBondContact O-N 3.41Å; E410-A412 VanDerWaalsContact C-N 3.3Å; E410-A412 PolarHBondContact O-N 3.45Å; A412-T416 PolarHBondContact O-N 3.4Å
413	V	96.5	Very high	83.8	Confident	22 Å²	22	63.6 Å²	63.6	13%	0.133	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-45.4	173.9	178.3	0	0	0	0	111.3	I290 A409 E410 K411 C415 T416 V417	I290-V413 HydrophobicContact CD1-CG2 4.04Å; A409-V413 WeakPolarHBondContact O-CG2 3.39Å; A409-V413 PolarHBondContact O-N 3.09Å; E410-V413 PolarHBondContact O-N 2.72Å; E410-V413 VanDerWaalsContact O-N 3.13Å; K411-V413 VanDerWaalsContact C-N 3.33Å; V413-C415 VanDerWaalsContact C-N 3.28Å; V413-C415 PolarHBondContact O-N 3.27Å; V413-T416 PolarHBondContact O-N 3.33Å; V413-T416 PolarHBondContact O-OG1 3.39Å; V413-V417 PolarHBondContact O-N 3.17Å
414	E	95.8	Very high	83.3	Confident	109 Å²	109	58.7 Å²	58.7	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-58.3	-42	177.7	-71.2	177.4	163.1	0	0	112	E410 K411 T416 V417 T418	E410-E414 WeakPolarHBondContact O-CG 3.49Å; E410-E414 PolarHBondContact O-N 2.85Å; K411-E414 PolarHBondContact O-N 3.06Å; E414-T416 VanDerWaalsContact C-N 3.26Å; E414-T416 PolarHBondContact O-N 3.29Å; E414-V417 PolarHBondContact O-N 2.76Å; E414-T418 PolarHBondContact O-N 2.93Å; E414-T418 VanDerWaalsContact O-N 3.07Å; E414-T418 PolarHBondContact O-OG1 3.05Å
415	C	93	Very high	82.8	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.054	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-30.2	179.4	-74.8	0	0	0	0	113.3	C344 P375 K411 V413 T418	C344-C415 HydrophobicContact CB-CB 3.97Å; P375-C415 HydrophobicContact CB-CB 3.96Å; P375-C415 HydrophobicContact CG-CB 4.29Å; K411-C415 WeakPolarHBondContact O-CB 3.32Å; K411-C415 PolarHBondContact O-N 2.92Å; K411-C415 PolarHBondContact O-SG 3.13Å; V413-C415 VanDerWaalsContact C-N 3.28Å; V413-C415 PolarHBondContact O-N 3.27Å; C415-T418 PolarHBondContact O-OG1 3.26Å
416	T	87.9	Confident	82.2	Confident	8 Å²	8	57.8 Å²	57.8	5%	0.049	35%	0.354	C	S	.	.	H	α-helix	trans	-80.6	-21.3	175.7	65.3	0	0	0	0	113.1	I290 R343 C344 A412 V413 E414	I290-T416 HydrophobicContact CD1-CG2 4.04Å; I290-T416 HydrophobicContact CG1-CG2 3.45Å; I290-T416 VanDerWaalsContact CG1-CG2 3.45Å; R343-T416 HydrophobicContact CB-CG2 4.19Å; R343-T416 PolarHBondContact NH1-O 3.07Å; C344-T416 HydrophobicContact CB-CG2 3.79Å; A412-T416 PolarHBondContact O-N 3.4Å; V413-T416 PolarHBondContact O-N 3.33Å; V413-T416 PolarHBondContact O-OG1 3.39Å; E414-T416 VanDerWaalsContact C-N 3.26Å; E414-T416 PolarHBondContact O-N 3.29Å
417	V	77.2	Confident	81.3	Confident	96 Å²	96	58.4 Å²	58.4	58%	0.582	36%	0.355	S	S	*	.	H	α-helix	trans	-78.5	-44.3	174.8	179	0	0	0	0	110.5	V413 E414 G419 R420	V413-V417 PolarHBondContact O-N 3.17Å; E414-V417 PolarHBondContact O-N 2.76Å; V417-G419 PolarHBondContact O-N 3.13Å; V417-R420 PolarHBondContact O-N 3.28Å; V417-R420 VanDerWaalsContact O-N 3.13Å
418	T	61.5	Low	80.2	Confident	109 Å²	109	60.3 Å²	60.3	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-66.7	-24.1	-178.1	50.5	0	0	0	0	113.5	E414 C415 R420	E414-T418 PolarHBondContact O-N 2.93Å; E414-T418 VanDerWaalsContact O-N 3.07Å; E414-T418 PolarHBondContact O-OG1 3.05Å; C415-T418 PolarHBondContact O-OG1 3.26Å; T418-R420 VanDerWaalsContact C-N 3.33Å
419	G	52.7	Low	79	Confident	53 Å²	53	64.9 Å²	64.9	55%	0.546	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.2	174.6	0	0	0	0	0	115.6	V417	V417-G419 PolarHBondContact O-N 3.13Å
420	R	45.2	Very low	77.5	Confident	183 Å²	183	70.3 Å²	70.3	69%	0.691	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.3	176.1	-71.5	-172.4	175.2	173.9	2.7	114.2	R343 V417 T418	R343-R420 VanDerWaalsContact NH2-NE 3.11Å; V417-R420 PolarHBondContact O-N 3.28Å; V417-R420 VanDerWaalsContact O-N 3.13Å; T418-R420 VanDerWaalsContact C-N 3.33Å
421	G	29.2	Very low	75.7	Confident	131 Å²	131	68.7 Å²	68.7	100%	1.351	43%	0.431	S	S	*	.			trans	-98.8	0	170.6	0	0	0	0	0	110.5

Retrieved 421 of 421 residues in 1155 ms (Link to these results)

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