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

GTP-specific succinyl-CoA synthetase functions in the citric acid cycle (TCA), coupling the hydrolysis of succinyl-CoA to the synthesis of GTP 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. Also able to act as a GTP-specific itaconyl- and malyl-CoA synthetase.

AlphaFold DB , UniProt , Accession G4VBN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 441 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	33.3	Very low	242 Å²	242	164.2 Å²	164.2	100%	1.192	87%	0.87	S	S	*	*				0	111.1	0	-87.7	168	154.4	0	0	108.5
2	N	34.3	Very low	33.2	Very low	141 Å²	141	159.5 Å²	159.5	75%	0.754	86%	0.86	S	S	*	*			trans	26.8	106.7	158.2	-65.4	-14.2	0	0	0	119
3	K	33.8	Very low	33.2	Very low	180 Å²	180	159.5 Å²	159.5	78%	0.783	86%	0.859	S	S	*	*				79	102.5	82.5	-79	179.2	178.2	-176.6	0	110.9
4	L	32.8	Very low	33.2	Very low	179 Å²	179	156.5 Å²	156.5	94%	0.937	85%	0.848	S	S	*	*				54.5	107.4	90.7	-80.8	154.3	0	0	0	111.9
5	G	34.4	Very low	33.4	Very low	69 Å²	69	155.9 Å²	155.9	71%	0.711	84%	0.844	S	S	*	*			trans	-166.8	100.6	173.7	0	0	0	0	0	112.9
6	N	36.5	Very low	33.7	Very low	158 Å²	158	156.1 Å²	156.1	85%	0.845	83%	0.834	S	S	*	*			trans	73.6	82.2	152	-62.9	-10.9	0	0	0	119.7
7	V	33.1	Very low	33.9	Very low	144 Å²	144	150.4 Å²	150.4	87%	0.873	80%	0.803	S	S	*	*			trans	-116.6	89.8	138.8	-179.6	0	0	0	0	106.7
8	F	30.9	Very low	33.8	Very low	204 Å²	204	153.5 Å²	153.5	90%	0.895	80%	0.802	S	S	*	*			trans	-148.1	145.7	168.4	-98.2	-78	0	0	0	110.4
9	S	31.2	Very low	34.7	Very low	114 Å²	114	150.3 Å²	150.3	80%	0.797	78%	0.781	S	S	*	*			trans	94.6	85	163.1	-153.5	0	0	0	0	117.1
10	R	30.8	Very low	35.8	Very low	252 Å²	252	148 Å²	148	95%	0.951	76%	0.762	S	S	*	*			trans	-158.7	69.6	131.9	-103.3	177.8	-171.8	-155.3	2.2	108.8
11	C	30.8	Very low	36.9	Very low	123 Å²	123	143.7 Å²	143.7	83%	0.831	75%	0.745	S	S	*	*			trans	-103.2	97.2	159.1	-115.4	0	0	0	0	106.5	L13	C11-L13 PolarHBondContact O-N 3.37Å; C11-L13 VanDerWaalsContact O-N 3.1Å
12	S	32.6	Very low	39	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	69%	0.691	S	S	*	*			trans	-65.5	104.8	164.3	52.4	0	0	0	0	107.4	V14	S12-V14 VanDerWaalsContact C-N 3.32Å; S12-V14 PolarHBondContact O-N 2.87Å
13	L	32.6	Very low	41.4	Very low	160 Å²	160	129.7 Å²	129.7	84%	0.838	67%	0.674	S	S	*	*			trans	-62	98.9	166	-78.2	158.3	0	0	0	107.2	C11 N15	C11-L13 PolarHBondContact O-N 3.37Å; C11-L13 VanDerWaalsContact O-N 3.1Å; L13-N15 VanDerWaalsContact C-N 3.33Å; L13-N15 PolarHBondContact O-N 2.74Å
14	V	33.7	Very low	44.2	Very low	117 Å²	117	121.7 Å²	121.7	71%	0.709	64%	0.64	S	S	*	*			trans	-62.6	102.4	163.9	177.8	0	0	0	0	105.3	S12 K16	S12-V14 VanDerWaalsContact C-N 3.32Å; S12-V14 PolarHBondContact O-N 2.87Å; V14-K16 HydrophobicContact CG1-CG 4.41Å; V14-K16 PolarHBondContact O-N 2.98Å
15	N	35.9	Very low	46.9	Very low	147 Å²	147	114 Å²	114	79%	0.786	60%	0.599	S	S	*	*			trans	-60.6	92.6	167.5	-91.6	-19.8	0	0	0	107.2	L13 I17	L13-N15 VanDerWaalsContact C-N 3.33Å; L13-N15 PolarHBondContact O-N 2.74Å; N15-I17 VanDerWaalsContact C-N 3.33Å; N15-I17 PolarHBondContact O-N 3.38Å
16	K	38	Very low	49.7	Very low	159 Å²	159	111.1 Å²	111.1	69%	0.691	57%	0.568	S	S	*	*			trans	-68	95.5	168.8	-79.2	-175.2	175.1	-175.2	0	107.1	V14 W18	V14-K16 HydrophobicContact CG1-CG 4.41Å; V14-K16 PolarHBondContact O-N 2.98Å; K16-W18 PolarHBondContact O-N 3.33Å
17	I	38.3	Very low	52.5	Low	60 Å²	60	104.6 Å²	104.6	31%	0.308	53%	0.531	S	S	.	.			trans	-64.5	128.5	166.4	-61.6	170.4	0	0	0	106.4	N15 K19	N15-I17 VanDerWaalsContact C-N 3.33Å; N15-I17 PolarHBondContact O-N 3.38Å; I17-K19 PolarHBondContact O-N 2.94Å
18	W	31.7	Very low	55.4	Low	206 Å²	206	97.9 Å²	97.9	78%	0.78	49%	0.49	S	S	*	.			trans	-64.6	108.1	173.6	-68.5	82.1	0	0	0	108.2	K16	K16-W18 PolarHBondContact O-N 3.33Å
19	K	50	Low	58.5	Low	93 Å²	93	88.1 Å²	88.1	40%	0.404	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-88.6	151.4	169.8	-71.8	-170.6	172.9	-171.8	0	109.5	I17 Q250	I17-K19 PolarHBondContact O-N 2.94Å; K19-Q250 HydrophobicContact CB-CB 4.18Å; K19-Q250 HydrophobicContact CB-CG 3.93Å; K19-Q250 HydrophobicContact CD-CG 4.46Å
20	R	56.5	Low	61.6	Low	104 Å²	104	82.8 Å²	82.8	39%	0.392	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-49.1	141.1	-179.4	-74.5	176.6	159.4	159.8	-16	111.5	Q250 E283 Y293 I294	R20-Q250 WeakPolarHBondContact O-CB 3.45Å; R20-E283 VanDerWaalsContact CZ-CD 3.48Å; R20-E283 IonicContact CZ-OE1 3.64Å; R20-E283 IonicContact CZ-OE2 2.79Å; R20-E283 VanDerWaalsContact NH1-CG 3.34Å; R20-E283 IonicContact NH1-OE1 3.93Å; R20-E283 IonicContact NH1-OE2 3.07Å; R20-E283 PolarHBondContact NH1-OE2 3.41Å; R20-E283 IonicContact NH2-OE1 3.44Å; R20-E283 PolarHBondContact NH2-OE1 3.14Å; R20-E283 IonicContact NH2-OE2 3.43Å; R20-E283 PolarHBondContact NH2-OE2 3.07Å; R20-Y293 PolarHBondContact NH1-O 2.74Å; R20-I294 VanDerWaalsContact NH2-CG1 3.33Å; R20-I294 VanDerWaalsContact NH2-CG2 3.34Å
21	S	59.8	Low	64.8	Low	58 Å²	58	74.7 Å²	74.7	41%	0.406	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-68.7	137.7	168.9	-49.7	0	0	0	0	109.8	N23 F248	S21-N23 PolarHBondContact O-N 3.41Å; S21-N23 PolarHBondContact O-ND2 3.33Å; S21-F248 WeakPolarHBondContact CA-O 3.33Å
22	I	82.2	Confident	67.9	Low	11 Å²	11	69 Å²	69	6%	0.056	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.2	170.7	-61.1	172.4	0	0	0	107.4	L24 A247 F248 Q250 I253 V259 A263	I22-L24 HydrophobicContact CG2-CD2 3.97Å; I22-L24 HydrophobicContact CG2-CG 4.4Å; I22-A247 VanDerWaalsContact O-CA 3.3Å; I22-A247 WeakPolarHBondContact O-CA 3.4Å; I22-F248 HydrophobicContact CB-CB 4.2Å; I22-F248 HydrophobicContact CB-CD2 4.3Å; I22-F248 HydrophobicContact CG2-CD2 4.27Å; I22-F248 PolarHBondContact N-O 3.26Å; I22-F248 VanDerWaalsContact N-O 3.14Å; I22-F248 WeakPolarHBondContact O-CD2 3.05Å; I22-F248 PolarHBondContact O-N 2.99Å; I22-Q250 VanDerWaalsContact CD1-OE1 3.24Å; I22-Q250 HydrophobicContact CG1-CB 4.49Å; I22-I253 HydrophobicContact CD1-CB 4.38Å; I22-I253 HydrophobicContact CD1-CD1 3.24Å; I22-I253 HydrophobicContact CD1-CG1 3.78Å; I22-V259 HydrophobicContact CD1-CG1 4.36Å; I22-V259 HydrophobicContact CG2-CG1 4.39Å; I22-A263 HydrophobicContact CD1-CB 4.25Å; I22-A263 HydrophobicContact CG2-CB 3.52Å
23	N	84.8	Confident	71.1	Confident	77 Å²	77	63.9 Å²	63.9	41%	0.412	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.5	169.6	-62.8	-74.3	0	0	0	108.5	S21	S21-N23 PolarHBondContact O-N 3.41Å; S21-N23 PolarHBondContact O-ND2 3.33Å
24	L	91.1	Very high	74.1	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	29%	0.293	C	S	.	.			trans	-105.1	158.8	175.3	-62.6	-176.2	0	0	0	110.6	I22 Q28 L32 F248 V259 M262 A263 V266	I22-L24 HydrophobicContact CG2-CD2 3.97Å; I22-L24 HydrophobicContact CG2-CG 4.4Å; L24-Q28 HydrophobicContact CB-CB 3.91Å; L24-Q28 HydrophobicContact CD1-CB 4.22Å; L24-L32 HydrophobicContact CD1-CD1 3.53Å; L24-F248 HydrophobicContact CB-CE2 4.28Å; L24-F248 HydrophobicContact CD1-CD2 4.37Å; L24-F248 HydrophobicContact CD1-CE2 3.48Å; L24-F248 VanDerWaalsContact CD1-CE2 3.48Å; L24-F248 HydrophobicContact CD1-CZ 3.77Å; L24-F248 HydrophobicContact CG-CD2 4.25Å; L24-F248 HydrophobicContact CG-CE2 3.6Å; L24-F248 HydrophobicContact CG-CZ 4.38Å; L24-V259 HydrophobicContact CD1-CG1 4.45Å; L24-M262 HydrophobicContact CD1-CB 4Å; L24-M262 HydrophobicContact CD1-SD 3.92Å; L24-M262 HydrophobicContact CD2-CB 3.69Å; L24-M262 HydrophobicContact CG-CB 4.5Å; L24-A263 HydrophobicContact CD2-CB 4.38Å; L24-V266 HydrophobicContact CD2-CG2 4.41Å
25	Q	90.9	Very high	77.2	Confident	18 Å²	18	60.1 Å²	60.1	8%	0.084	28%	0.283	C	S	.	.			trans	-69.6	155.3	173.8	-63.8	-69.4	-24.7	0	0	110.6	Y27 Q28 C29 Q69 I70 V266	Q25-Y27 HydrophobicContact CB-CD1 3.6Å; Q25-Y27 HydrophobicContact CB-CE1 3.62Å; Q25-Y27 HydrophobicContact CG-CE1 4.13Å; Q25-Y27 PolarHBondContact O-N 2.93Å; Q25-Y27 VanDerWaalsContact O-N 3.13Å; Q25-Q28 WeakPolarHBondContact O-CB 3.25Å; Q25-Q28 PolarHBondContact O-N 3.26Å; Q25-C29 PolarHBondContact O-N 3.1Å; Q25-C29 PolarHBondContact O-SG 3.17Å; Q25-C29 VanDerWaalsContact O-SG 3.39Å; Q25-Q69 VanDerWaalsContact OE1-C 3.3Å; Q25-I70 PolarHBondContact OE1-O 3.07Å; Q25-V266 HydrophobicContact CG-CG2 3.94Å
26	E	92.9	Very high	80.1	Confident	9 Å²	9	56 Å²	56	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-51.7	-42.1	-177.9	-179.4	-172.2	169.4	0	0	112.3	Q28 C29 K30 K67 R75 M125 D243	E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.42Å; E26-C29 WeakPolarHBondContact O-CB 3.31Å; E26-C29 PolarHBondContact O-N 3.03Å; E26-K30 HydrophobicContact CG-CD 4.39Å; E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 3.06Å; E26-K30 WeakPolarHBondContact OE1-CE 3.49Å; E26-K30 IonicContact OE1-NZ 3.07Å; E26-K30 PolarHBondContact OE1-NZ 2.97Å; E26-K67 WeakPolarHBondContact OE1-CD 3.41Å; E26-K67 IonicContact OE1-NZ 2.75Å; E26-K67 PolarHBondContact OE1-NZ 3.1Å; E26-K67 WeakPolarHBondContact OE2-CD 3.33Å; E26-K67 IonicContact OE2-NZ 3.59Å; E26-R75 IonicContact OE2-CZ 2.93Å; E26-R75 VanDerWaalsContact OE2-CZ 3.25Å; E26-R75 IonicContact OE2-NH1 2.71Å; E26-R75 PolarHBondContact OE2-NH1 3.31Å; E26-R75 IonicContact OE2-NH2 2.79Å; E26-R75 PolarHBondContact OE2-NH2 3.45Å; E26-M125 VanDerWaalsContact CD-CE 3.43Å; E26-M125 HydrophobicContact CG-CE 4.18Å; E26-M125 VanDerWaalsContact OE1-CE 3.23Å; E26-M125 WeakPolarHBondContact OE1-CE 3.31Å; E26-D243 WeakPolarHBondContact CG-OD1 3.25Å
27	Y	94.1	Very high	82.9	Confident	21 Å²	21	50.1 Å²	50.1	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-35.2	179.5	83.2	-95.9	0	0	0	113.3	Q25 K30 K31 F43 L45 Q69	Q25-Y27 HydrophobicContact CB-CD1 3.6Å; Q25-Y27 HydrophobicContact CB-CE1 3.62Å; Q25-Y27 HydrophobicContact CG-CE1 4.13Å; Q25-Y27 PolarHBondContact O-N 2.93Å; Q25-Y27 VanDerWaalsContact O-N 3.13Å; Y27-K30 PolarHBondContact O-N 2.78Å; Y27-K31 WeakPolarHBondContact O-CB 3.42Å; Y27-K31 PolarHBondContact O-N 3.25Å; Y27-F43 WeakPolarHBondContact O-CZ 3.49Å; Y27-L45 HydrophobicContact CD1-CD1 4.11Å; Y27-L45 HydrophobicContact CD1-CD2 3.87Å; Y27-L45 HydrophobicContact CD2-CD1 3.27Å; Y27-L45 HydrophobicContact CD2-CD2 4.34Å; Y27-L45 HydrophobicContact CD2-CG 4.27Å; Y27-L45 HydrophobicContact CE1-CD1 4.28Å; Y27-L45 HydrophobicContact CE1-CD2 4.49Å; Y27-L45 HydrophobicContact CE2-CD1 3.44Å; Y27-L45 VanDerWaalsContact CE2-CD1 3.44Å; Y27-L45 HydrophobicContact CG-CD1 3.59Å; Y27-L45 HydrophobicContact CG-CD2 3.75Å; Y27-L45 HydrophobicContact CG-CG 4.17Å; Y27-Q69 HydrophobicContact CD1-CG 4.25Å
28	Q	95.3	Very high	85.8	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-71.4	-42.7	177.7	-68.5	172.2	-47.7	0	0	109.5	L24 Q25 E26 K30 K31 L32 M262	L24-Q28 HydrophobicContact CB-CB 3.91Å; L24-Q28 HydrophobicContact CD1-CB 4.22Å; Q25-Q28 WeakPolarHBondContact O-CB 3.25Å; Q25-Q28 PolarHBondContact O-N 3.26Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.42Å; Q28-K30 PolarHBondContact O-N 3.41Å; Q28-K31 PolarHBondContact O-N 2.91Å; Q28-L32 WeakPolarHBondContact O-CG 3.37Å; Q28-L32 PolarHBondContact O-N 3.09Å; Q28-M262 HydrophobicContact CB-SD 3.82Å; Q28-M262 HydrophobicContact CG-CG 4.43Å; Q28-M262 HydrophobicContact CG-SD 4.16Å; Q28-M262 PolarHBondContact NE2-O 2.8Å
29	C	95.9	Very high	88.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55	-50.5	170.7	-63	0	0	0	0	110.9	Q25 E26 K31 L32 M33 L246	Q25-C29 PolarHBondContact O-N 3.1Å; Q25-C29 PolarHBondContact O-SG 3.17Å; Q25-C29 VanDerWaalsContact O-SG 3.39Å; E26-C29 WeakPolarHBondContact O-CB 3.31Å; E26-C29 PolarHBondContact O-N 3.03Å; C29-K31 VanDerWaalsContact C-N 3.33Å; C29-K31 PolarHBondContact O-N 3.2Å; C29-L32 PolarHBondContact O-N 2.87Å; C29-M33 WeakPolarHBondContact O-CB 3.33Å; C29-M33 WeakPolarHBondContact O-CG 3.4Å; C29-M33 PolarHBondContact O-N 2.81Å; C29-L246 HydrophobicContact CB-CD1 3.88Å; C29-L246 HydrophobicContact CB-CG 3.79Å
30	K	96.5	Very high	91.1	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-38.4	178.1	-76.1	-174.6	171.8	175.9	0	112.8	E26 Y27 Q28 M33 L34 V40 Q41 F43 M125 F242	E26-K30 HydrophobicContact CG-CD 4.39Å; E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 3.06Å; E26-K30 WeakPolarHBondContact OE1-CE 3.49Å; E26-K30 IonicContact OE1-NZ 3.07Å; E26-K30 PolarHBondContact OE1-NZ 2.97Å; Y27-K30 PolarHBondContact O-N 2.78Å; Q28-K30 PolarHBondContact O-N 3.41Å; K30-M33 PolarHBondContact O-N 3.4Å; K30-L34 WeakPolarHBondContact O-CB 3.06Å; K30-L34 PolarHBondContact O-N 3.44Å; K30-V40 HydrophobicContact CB-CB 4.44Å; K30-V40 HydrophobicContact CB-CG1 4.43Å; K30-V40 HydrophobicContact CB-CG2 4.37Å; K30-V40 HydrophobicContact CD-CB 4.49Å; K30-V40 HydrophobicContact CG-CB 4.25Å; K30-V40 HydrophobicContact CG-CG1 4.18Å; K30-Q41 VanDerWaalsContact NZ-OE1 3.08Å; K30-F43 HydrophobicContact CB-CD1 4.3Å; K30-F43 HydrophobicContact CB-CE1 3.57Å; K30-F43 HydrophobicContact CB-CZ 4.07Å; K30-F43 HydrophobicContact CD-CD1 4.18Å; K30-F43 HydrophobicContact CD-CE1 4.29Å; K30-M125 HydrophobicContact CD-SD 4.22Å; K30-F242 VanDerWaalsContact CE-O 3.28Å; K30-F242 WeakPolarHBondContact CE-O 3.32Å; K30-F242 PolarHBondContact NZ-O 2.76Å
31	K	96.5	Very high	93	Very high	83 Å²	83	32 Å²	32	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-60.8	-51.1	173.5	172.1	167.8	168.7	42.6	0	111.3	Y27 Q28 C29 M33 L34 D35 M262	Y27-K31 WeakPolarHBondContact O-CB 3.42Å; Y27-K31 PolarHBondContact O-N 3.25Å; Q28-K31 PolarHBondContact O-N 2.91Å; C29-K31 VanDerWaalsContact C-N 3.33Å; C29-K31 PolarHBondContact O-N 3.2Å; K31-M33 VanDerWaalsContact C-N 3.28Å; K31-M33 PolarHBondContact O-N 2.96Å; K31-L34 PolarHBondContact O-N 3.39Å; K31-D35 IonicContact NZ-OD1 2.89Å; K31-D35 IonicContact NZ-OD2 3.53Å; K31-D35 PolarHBondContact NZ-OD2 3.17Å; K31-D35 VanDerWaalsContact O-CG 3.24Å; K31-D35 PolarHBondContact O-N 3.36Å; K31-M262 HydrophobicContact CD-CE 3.83Å; K31-M262 HydrophobicContact CG-CE 4.19Å
32	L	97.4	Very high	94.7	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-39.8	178.6	-68.7	171.8	0	0	0	111.7	L24 Q28 C29 D35 H36 L221 L246 F248 E258 V259 M262	L24-L32 HydrophobicContact CD1-CD1 3.53Å; Q28-L32 WeakPolarHBondContact O-CG 3.37Å; Q28-L32 PolarHBondContact O-N 3.09Å; C29-L32 PolarHBondContact O-N 2.87Å; L32-D35 PolarHBondContact O-N 3.04Å; L32-H36 PolarHBondContact O-N 2.49Å; L32-H36 PolarHBondContact O-ND1 2.93Å; L32-L221 HydrophobicContact CB-CD1 4.06Å; L32-L221 HydrophobicContact CD1-CD1 4.21Å; L32-L221 HydrophobicContact CD2-CD1 4.29Å; L32-L221 HydrophobicContact CG-CD1 4.42Å; L32-L246 HydrophobicContact CB-CD1 4.45Å; L32-L246 HydrophobicContact CD1-CD1 4.48Å; L32-F248 HydrophobicContact CD1-CE1 4.23Å; L32-F248 HydrophobicContact CD1-CZ 3.7Å; L32-E258 HydrophobicContact CD2-CG 4.47Å; L32-V259 HydrophobicContact CD1-CG2 4.46Å; L32-M262 HydrophobicContact CD1-SD 4.01Å; L32-M262 HydrophobicContact CD2-CE 3.98Å; L32-M262 HydrophobicContact CD2-SD 4.15Å; L32-M262 HydrophobicContact CG-CE 4.16Å; L32-M262 HydrophobicContact CG-SD 3.97Å
33	M	98.2	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-47	175.7	-71.1	171.4	82.7	0	0	111.9	C29 K30 K31 D35 H36 G37 I38 V40 L214 M217 V228 C241 A244 L246	C29-M33 WeakPolarHBondContact O-CB 3.33Å; C29-M33 WeakPolarHBondContact O-CG 3.4Å; C29-M33 PolarHBondContact O-N 2.81Å; K30-M33 PolarHBondContact O-N 3.4Å; K31-M33 VanDerWaalsContact C-N 3.28Å; K31-M33 PolarHBondContact O-N 2.96Å; M33-D35 VanDerWaalsContact C-N 3.32Å; M33-D35 PolarHBondContact O-N 3.01Å; M33-H36 CarbonylContact O-C 3.52Å; M33-H36 WeakPolarHBondContact O-CA 3.35Å; M33-H36 PolarHBondContact O-N 3.25Å; M33-G37 PolarHBondContact O-N 2.98Å; M33-I38 HydrophobicContact CB-CB 3.99Å; M33-I38 HydrophobicContact CB-CD1 4.18Å; M33-I38 HydrophobicContact CB-CG2 4.13Å; M33-I38 HydrophobicContact CE-CG2 3.58Å; M33-I38 HydrophobicContact CG-CD1 4.21Å; M33-I38 WeakPolarHBondContact O-CB 3.03Å; M33-I38 PolarHBondContact O-N 3.45Å; M33-V40 HydrophobicContact CB-CG1 3.87Å; M33-V40 HydrophobicContact CE-CG1 4.21Å; M33-V40 HydrophobicContact SD-CG1 4.24Å; M33-L214 HydrophobicContact CE-CD2 4.01Å; M33-M217 HydrophobicContact CB-SD 4.29Å; M33-M217 HydrophobicContact CG-CE 3.92Å; M33-M217 HydrophobicContact CG-SD 3.65Å; M33-V228 HydrophobicContact CE-CG2 4.13Å; M33-C241 HydrophobicContact CE-CB 3.35Å; M33-C241 VanDerWaalsContact CE-SG 3.58Å; M33-A244 HydrophobicContact CE-CB 3.81Å; M33-A244 HydrophobicContact SD-CB 3.32Å; M33-A244 WeakPolarHBondContact SD-CB 3.32Å; M33-L246 HydrophobicContact CG-CD1 4.4Å
34	L	97.2	Very high	95.9	Very high	104 Å²	104	36.7 Å²	36.7	55%	0.545	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-44.1	176.6	-176.6	65.7	0	0	0	111.4	K30 K31 H36 G37 V40	K30-L34 WeakPolarHBondContact O-CB 3.06Å; K30-L34 PolarHBondContact O-N 3.44Å; K31-L34 PolarHBondContact O-N 3.39Å; L34-H36 PolarHBondContact O-N 2.89Å; L34-H36 VanDerWaalsContact O-N 3.17Å; L34-G37 PolarHBondContact O-N 2.85Å; L34-V40 HydrophobicContact CB-CG2 4.07Å; L34-V40 HydrophobicContact CD1-CG2 4.35Å
35	D	97.1	Very high	96.2	Very high	94 Å²	94	37.4 Å²	37.4	50%	0.503	19%	0.188	S	C	.	.	H	α-helix	trans	-62.7	-21.5	178.1	-66.3	-21.1	0	0	0	111.9	K31 L32 M33	K31-D35 IonicContact NZ-OD1 2.89Å; K31-D35 IonicContact NZ-OD2 3.53Å; K31-D35 PolarHBondContact NZ-OD2 3.17Å; K31-D35 VanDerWaalsContact O-CG 3.24Å; K31-D35 PolarHBondContact O-N 3.36Å; L32-D35 PolarHBondContact O-N 3.04Å; M33-D35 VanDerWaalsContact C-N 3.32Å; M33-D35 PolarHBondContact O-N 3.01Å
36	H	98	Very high	96.4	Very high	60 Å²	60	36.6 Å²	36.6	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	12.4	173.7	-68.9	76.4	0	0	0	113.8	L32 M33 L34 I38 M217	L32-H36 PolarHBondContact O-N 2.49Å; L32-H36 PolarHBondContact O-ND1 2.93Å; M33-H36 CarbonylContact O-C 3.52Å; M33-H36 WeakPolarHBondContact O-CA 3.35Å; M33-H36 PolarHBondContact O-N 3.25Å; L34-H36 PolarHBondContact O-N 2.89Å; L34-H36 VanDerWaalsContact O-N 3.17Å; H36-I38 VanDerWaalsContact C-N 3.29Å; H36-I38 HydrophobicContact CB-CD1 4.21Å; H36-I38 PolarHBondContact O-N 2.82Å; H36-M217 HydrophobicContact CB-CB 3.98Å; H36-M217 HydrophobicContact CB-CG 4.07Å; H36-M217 HydrophobicContact CB-SD 4.4Å
37	G	97.3	Very high	96.5	Very high	35 Å²	35	41.6 Å²	41.6	36%	0.361	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	20.5	176.3	0	0	0	0	0	114.3	M33 L34 K213	M33-G37 PolarHBondContact O-N 2.98Å; L34-G37 PolarHBondContact O-N 2.85Å; G37-K213 VanDerWaalsContact O-CD 3.32Å; G37-K213 WeakPolarHBondContact O-CD 3.48Å; G37-K213 WeakPolarHBondContact O-CE 3.47Å; G37-K213 PolarHBondContact O-NZ 3.42Å
38	I	98.3	Very high	96.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.216	C	C	.	.			trans	-83.5	139.2	173.7	-65.1	152	0	0	0	108.9	M33 H36 V40 Q210 K213 L214 M217 C241	M33-I38 HydrophobicContact CB-CB 3.99Å; M33-I38 HydrophobicContact CB-CD1 4.18Å; M33-I38 HydrophobicContact CB-CG2 4.13Å; M33-I38 HydrophobicContact CE-CG2 3.58Å; M33-I38 HydrophobicContact CG-CD1 4.21Å; M33-I38 WeakPolarHBondContact O-CB 3.03Å; M33-I38 PolarHBondContact O-N 3.45Å; H36-I38 VanDerWaalsContact C-N 3.29Å; H36-I38 HydrophobicContact CB-CD1 4.21Å; H36-I38 PolarHBondContact O-N 2.82Å; I38-V40 PolarHBondContact O-N 3.36Å; I38-Q210 VanDerWaalsContact CA-OE1 3.32Å; I38-K213 HydrophobicContact CG1-CB 3.93Å; I38-L214 HydrophobicContact CD1-CD2 3.78Å; I38-L214 HydrophobicContact CD1-CG 4.22Å; I38-L214 HydrophobicContact CG1-CD2 4.32Å; I38-L214 HydrophobicContact CG1-CG 4.4Å; I38-L214 HydrophobicContact CG2-CD2 4.24Å; I38-M217 HydrophobicContact CD1-CB 3.98Å; I38-M217 HydrophobicContact CD1-CE 3.95Å; I38-M217 HydrophobicContact CD1-CG 4.33Å; I38-M217 HydrophobicContact CD1-SD 3.5Å; I38-M217 VanDerWaalsContact CD1-SD 3.5Å; I38-C241 HydrophobicContact CG2-CB 4.27Å; I38-C241 WeakPolarHBondContact CG2-SG 3.3Å
39	N	97	Very high	96.3	Very high	51 Å²	51	48.7 Å²	48.7	27%	0.273	25%	0.248	S	C	.	.			trans	-77.7	117.4	-176.4	-67.8	-0.8	0	0	0	110.2	Q210 I239 C241	N39-Q210 VanDerWaalsContact N-OE1 3.09Å; N39-Q210 PolarHBondContact ND2-NE2 3.48Å; N39-Q210 PolarHBondContact OD1-NE2 3.01Å; N39-Q210 VanDerWaalsContact OD1-NE2 3.09Å; N39-I239 WeakPolarHBondContact CB-O 3.27Å; N39-I239 PolarHBondContact ND2-O 2.95Å; N39-C241 PolarHBondContact O-N 2.87Å
40	V	96.7	Very high	96.1	Very high	22 Å²	22	51.2 Å²	51.2	13%	0.133	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-129.7	158.9	175.2	-63.5	0	0	0	0	109.9	K30 M33 L34 I38 C241	K30-V40 HydrophobicContact CB-CB 4.44Å; K30-V40 HydrophobicContact CB-CG1 4.43Å; K30-V40 HydrophobicContact CB-CG2 4.37Å; K30-V40 HydrophobicContact CD-CB 4.49Å; K30-V40 HydrophobicContact CG-CB 4.25Å; K30-V40 HydrophobicContact CG-CG1 4.18Å; M33-V40 HydrophobicContact CB-CG1 3.87Å; M33-V40 HydrophobicContact CE-CG1 4.21Å; M33-V40 HydrophobicContact SD-CG1 4.24Å; L34-V40 HydrophobicContact CB-CG2 4.07Å; L34-V40 HydrophobicContact CD1-CG2 4.35Å; I38-V40 PolarHBondContact O-N 3.36Å; V40-C241 HydrophobicContact CG1-CB 4.23Å
41	Q	95.2	Very high	96	Very high	9 Å²	9	54 Å²	54	4%	0.042	29%	0.287	C	S	.	.			trans	-60.6	144.3	173.9	-64.7	169.4	-67.2	0	0	110.9	K30 F43 A127 E128 L130 V240 F242	K30-Q41 VanDerWaalsContact NZ-OE1 3.08Å; Q41-F43 WeakPolarHBondContact O-CD1 3.31Å; Q41-A127 HydrophobicContact CB-CB 4.37Å; Q41-E128 HydrophobicContact CB-CG 4.23Å; Q41-E128 PolarHBondContact NE2-O 3.33Å; Q41-L130 HydrophobicContact CG-CD1 3.87Å; Q41-L130 HydrophobicContact CG-CG 4.22Å; Q41-V240 HydrophobicContact CG-CG1 4.27Å; Q41-F242 HydrophobicContact CG-CD1 4.41Å; Q41-F242 PolarHBondContact OE1-O 3.17Å; Q41-F242 VanDerWaalsContact OE1-O 3.12Å
42	R	95.3	Very high	95.9	Very high	148 Å²	148	50.6 Å²	50.6	56%	0.558	27%	0.273	S	S	*	.			trans	-63.3	141.3	165	-64	-177.7	-60.1	161.1	5.3	109.8	F59 A127 E128	R42-F59 HydrophobicContact CB-CE2 4.19Å; R42-F59 HydrophobicContact CB-CZ 4.27Å; R42-A127 CarbonylContact O-C 3.44Å; R42-A127 VanDerWaalsContact O-CA 3.27Å; R42-A127 WeakPolarHBondContact O-CA 3.4Å; R42-A127 WeakPolarHBondContact O-CB 3.27Å; R42-E128 HydrophobicContact CB-CG 4.34Å; R42-E128 VanDerWaalsContact CB-OE1 3.31Å; R42-E128 WeakPolarHBondContact CB-OE1 3.3Å; R42-E128 VanDerWaalsContact CG-OE1 3.27Å; R42-E128 WeakPolarHBondContact CG-OE1 3.35Å; R42-E128 IonicContact CZ-OE2 3.24Å; R42-E128 VanDerWaalsContact CZ-OE2 3.24Å; R42-E128 PolarHBondContact N-OE1 3.44Å; R42-E128 IonicContact NE-OE1 3.37Å; R42-E128 PolarHBondContact NE-OE1 3.46Å; R42-E128 IonicContact NE-OE2 2.87Å; R42-E128 PolarHBondContact NE-OE2 3.24Å; R42-E128 IonicContact NH2-OE2 2.74Å; R42-E128 PolarHBondContact NH2-OE2 2.89Å; R42-E128 PolarHBondContact O-N 2.79Å
43	F	96.5	Very high	95.7	Very high	49 Å²	49	55.1 Å²	55.1	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161.9	-179.9	70.2	-88	0	0	0	112.7	Y27 K30 Q41 M125 V126 A127	Y27-F43 WeakPolarHBondContact O-CZ 3.49Å; K30-F43 HydrophobicContact CB-CD1 4.3Å; K30-F43 HydrophobicContact CB-CE1 3.57Å; K30-F43 HydrophobicContact CB-CZ 4.07Å; K30-F43 HydrophobicContact CD-CD1 4.18Å; K30-F43 HydrophobicContact CD-CE1 4.29Å; Q41-F43 WeakPolarHBondContact O-CD1 3.31Å; F43-M125 HydrophobicContact CB-CG 3.86Å; F43-M125 HydrophobicContact CB-SD 3.96Å; F43-M125 HydrophobicContact CD1-SD 4.46Å; F43-M125 HydrophobicContact CD2-CG 3.84Å; F43-M125 HydrophobicContact CD2-SD 3.82Å; F43-M125 HydrophobicContact CE2-SD 4.46Å; F43-M125 HydrophobicContact CG-CG 4.09Å; F43-M125 HydrophobicContact CG-SD 3.83Å; F43-V126 CarbonylContact C-O 3.56Å; F43-V126 VanDerWaalsContact CA-O 3.3Å; F43-V126 WeakPolarHBondContact CA-O 3.48Å; F43-A127 HydrophobicContact CB-CB 3.61Å
44	V	96.8	Very high	95.4	Very high	46 Å²	46	58.8 Å²	58.8	28%	0.279	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.7	168	-64.2	0	0	0	0	109.6	T55 F59 V126	V44-T55 HydrophobicContact CG2-CG2 3.6Å; V44-F59 HydrophobicContact CG1-CB 4.27Å; V44-F59 HydrophobicContact CG1-CD2 3.65Å; V44-F59 HydrophobicContact CG1-CE2 4.19Å; V44-F59 HydrophobicContact CG1-CG 4.01Å; V44-F59 HydrophobicContact CG2-CB 3.98Å; V44-F59 HydrophobicContact CG2-CD1 3.98Å; V44-F59 HydrophobicContact CG2-CD2 4.26Å; V44-F59 HydrophobicContact CG2-CG 3.8Å; V44-V126 HydrophobicContact CG2-CB 4.06Å; V44-V126 PolarHBondContact N-O 3.26Å; V44-V126 PolarHBondContact O-N 3.47Å
45	L	96.2	Very high	95.3	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.141	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.4	176.3	-71.6	162.5	0	0	0	110	Y27 Q69 M125	Y27-L45 HydrophobicContact CD1-CD1 4.11Å; Y27-L45 HydrophobicContact CD1-CD2 3.87Å; Y27-L45 HydrophobicContact CD2-CD1 3.27Å; Y27-L45 HydrophobicContact CD2-CD2 4.34Å; Y27-L45 HydrophobicContact CD2-CG 4.27Å; Y27-L45 HydrophobicContact CE1-CD1 4.28Å; Y27-L45 HydrophobicContact CE1-CD2 4.49Å; Y27-L45 HydrophobicContact CE2-CD1 3.44Å; Y27-L45 VanDerWaalsContact CE2-CD1 3.44Å; Y27-L45 HydrophobicContact CG-CD1 3.59Å; Y27-L45 HydrophobicContact CG-CD2 3.75Å; Y27-L45 HydrophobicContact CG-CG 4.17Å; L45-Q69 HydrophobicContact CD2-CG 4.21Å; L45-M125 HydrophobicContact CD2-CB 4.01Å; L45-M125 HydrophobicContact CD2-CG 4.41Å
46	V	96.7	Very high	95.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.3	169.9	-170	0	0	0	0	108	E51 V52 T55 V101 Q123 V124 V126	V46-E51 WeakPolarHBondContact CA-OE2 3.17Å; V46-E51 HydrophobicContact CG1-CB 3.83Å; V46-V52 HydrophobicContact CG1-CG2 3.78Å; V46-T55 HydrophobicContact CG2-CG2 4.03Å; V46-T55 WeakPolarHBondContact CG2-OG1 3.43Å; V46-V101 HydrophobicContact CB-CG1 3.95Å; V46-V101 HydrophobicContact CG1-CG1 3.82Å; V46-V101 HydrophobicContact CG2-CG1 4.19Å; V46-Q123 WeakPolarHBondContact O-CA 3.24Å; V46-V124 PolarHBondContact N-O 3.17Å; V46-V124 PolarHBondContact O-N 3.3Å; V46-V126 HydrophobicContact CG2-CG2 4.08Å
47	R	94	Very high	94.8	Very high	114 Å²	114	54.1 Å²	54.1	43%	0.43	29%	0.292	S	S	.	.			trans	-112	-19.3	-175.9	-57.3	-168.1	168.8	98.9	-7	113.9	E51 Q123	R47-E51 PolarHBondContact N-OE2 3.14Å; R47-Q123 HydrophobicContact CB-CG 4.39Å; R47-Q123 HydrophobicContact CG-CB 4.47Å; R47-Q123 HydrophobicContact CG-CG 3.89Å; R47-Q123 VanDerWaalsContact NE-NE2 3.15Å
48	N	93.3	Very high	94.7	Very high	68 Å²	68	58.7 Å²	58.7	36%	0.364	31%	0.309	S	S	.	.	S	Bend	trans	-142.6	158.7	177.2	62.1	74.5	0	0	0	110.2	G50 E51 L105	N48-G50 PolarHBondContact O-N 3.11Å; N48-G50 VanDerWaalsContact O-N 3.15Å; N48-G50 WeakPolarHBondContact OD1-CA 3.28Å; N48-G50 PolarHBondContact OD1-N 3.39Å; N48-G50 VanDerWaalsContact OD1-N 3.08Å; N48-E51 PolarHBondContact ND2-OE1 3.29Å; N48-E51 PolarHBondContact O-N 3.18Å; N48-E51 VanDerWaalsContact O-N 3.11Å; N48-E51 PolarHBondContact OD1-N 3.46Å; N48-L105 VanDerWaalsContact C-CD2 3.43Å
49	P	91.3	Very high	94.6	Very high	105 Å²	105	59.8 Å²	59.8	68%	0.682	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.8	-179.7	-28.5	36.5	0	0	0	114.7	E51 V52 L105	P49-E51 VanDerWaalsContact C-N 3.29Å; P49-E51 PolarHBondContact O-N 3.49Å; P49-V52 WeakPolarHBondContact O-CB 3.49Å; P49-V52 VanDerWaalsContact O-CG2 3.31Å; P49-V52 WeakPolarHBondContact O-CG2 3.47Å; P49-V52 PolarHBondContact O-N 2.94Å; P49-L105 HydrophobicContact CG-CD2 4.26Å
50	G	92.1	Very high	94.4	Very high	53 Å²	53	66.1 Å²	66.1	55%	0.546	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-21	179.5	0	0	0	0	0	114.4	N48 V52	N48-G50 PolarHBondContact O-N 3.11Å; N48-G50 VanDerWaalsContact O-N 3.15Å; N48-G50 WeakPolarHBondContact OD1-CA 3.28Å; N48-G50 PolarHBondContact OD1-N 3.39Å; N48-G50 VanDerWaalsContact OD1-N 3.08Å; G50-V52 VanDerWaalsContact C-N 3.31Å
51	E	95.5	Very high	94.3	Very high	59 Å²	59	66.2 Å²	66.2	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-79.7	-13.3	176.4	-73.9	171.7	-166	0	0	113	V46 R47 N48 P49 T54 T55	V46-E51 WeakPolarHBondContact CA-OE2 3.17Å; V46-E51 HydrophobicContact CG1-CB 3.83Å; R47-E51 PolarHBondContact N-OE2 3.14Å; N48-E51 PolarHBondContact ND2-OE1 3.29Å; N48-E51 PolarHBondContact O-N 3.18Å; N48-E51 VanDerWaalsContact O-N 3.11Å; N48-E51 PolarHBondContact OD1-N 3.46Å; P49-E51 VanDerWaalsContact C-N 3.29Å; P49-E51 PolarHBondContact O-N 3.49Å; E51-T54 PolarHBondContact O-N 3.31Å; E51-T55 VanDerWaalsContact O-CB 3.28Å; E51-T55 WeakPolarHBondContact O-CB 3.48Å; E51-T55 PolarHBondContact O-N 3.24Å; E51-T55 PolarHBondContact O-OG1 3.38Å
52	V	93.9	Very high	94.2	Very high	12 Å²	12	72.9 Å²	72.9	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-52.5	-176.9	178.4	0	0	0	0	111.1	V46 P49 G50 T54 T55 K56 A98 V101	V46-V52 HydrophobicContact CG1-CG2 3.78Å; P49-V52 WeakPolarHBondContact O-CB 3.49Å; P49-V52 VanDerWaalsContact O-CG2 3.31Å; P49-V52 WeakPolarHBondContact O-CG2 3.47Å; P49-V52 PolarHBondContact O-N 2.94Å; G50-V52 VanDerWaalsContact C-N 3.31Å; V52-T54 VanDerWaalsContact C-N 3.35Å; V52-T54 PolarHBondContact O-N 2.54Å; V52-T55 WeakPolarHBondContact O-CB 3.24Å; V52-T55 PolarHBondContact O-N 2.81Å; V52-K56 WeakPolarHBondContact O-CB 3.42Å; V52-K56 PolarHBondContact O-N 3.01Å; V52-A98 HydrophobicContact CG1-CB 3.47Å; V52-A98 VanDerWaalsContact CG1-CB 3.47Å; V52-V101 HydrophobicContact CG2-CG1 3.92Å
53	D	92.1	Very high	94.2	Very high	99 Å²	99	67.9 Å²	67.9	53%	0.529	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-39.1	-179.7	-71.8	-29.4	0	0	0	111.9	T55 K56 H57	D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 3.31Å; D53-K56 PolarHBondContact O-N 3.01Å; D53-H57 PolarHBondContact O-CD2 2.86Å; D53-H57 PolarHBondContact O-N 3.41Å
54	T	93.9	Very high	94.2	Very high	77 Å²	77	65.6 Å²	65.6	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-44.3	175.2	-59.7	0	0	0	0	110.9	E51 V52 H57 N58	E51-T54 PolarHBondContact O-N 3.31Å; V52-T54 VanDerWaalsContact C-N 3.35Å; V52-T54 PolarHBondContact O-N 2.54Å; T54-H57 PolarHBondContact O-N 3.45Å; T54-N58 WeakPolarHBondContact CG2-ND2 3.45Å; T54-N58 WeakPolarHBondContact O-CB 3.43Å; T54-N58 PolarHBondContact O-N 3.04Å
55	T	93.7	Very high	94.2	Very high	13 Å²	13	64 Å²	64	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.8	-64.2	0	0	0	0	111.4	V44 V46 E51 V52 D53 H57 N58 F59 M97 V126	V44-T55 HydrophobicContact CG2-CG2 3.6Å; V46-T55 HydrophobicContact CG2-CG2 4.03Å; V46-T55 WeakPolarHBondContact CG2-OG1 3.43Å; E51-T55 VanDerWaalsContact O-CB 3.28Å; E51-T55 WeakPolarHBondContact O-CB 3.48Å; E51-T55 PolarHBondContact O-N 3.24Å; E51-T55 PolarHBondContact O-OG1 3.38Å; V52-T55 WeakPolarHBondContact O-CB 3.24Å; V52-T55 PolarHBondContact O-N 2.81Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 3.31Å; T55-H57 VanDerWaalsContact C-N 3.26Å; T55-H57 PolarHBondContact O-N 3Å; T55-N58 PolarHBondContact O-N 2.94Å; T55-F59 HydrophobicContact CG2-CB 4.43Å; T55-F59 WeakPolarHBondContact O-CB 3.13Å; T55-F59 PolarHBondContact O-N 3.24Å; T55-M97 HydrophobicContact CG2-CE 4.11Å; T55-M97 HydrophobicContact CG2-SD 4.43Å; T55-V126 HydrophobicContact CG2-CB 4.33Å; T55-V126 HydrophobicContact CG2-CG1 4.46Å; T55-V126 HydrophobicContact CG2-CG2 4.31Å
56	K	93.2	Very high	94.2	Very high	39 Å²	39	62.7 Å²	62.7	17%	0.17	32%	0.319	C	S	.	.	H	α-helix	trans	-56.5	-38.3	176.5	-179.2	-174.3	174.7	-168.8	0	112.7	V52 D53 P94 D95 M97 A98	V52-K56 WeakPolarHBondContact O-CB 3.42Å; V52-K56 PolarHBondContact O-N 3.01Å; D53-K56 PolarHBondContact O-N 3.01Å; K56-P94 HydrophobicContact CG-CB 3.76Å; K56-D95 VanDerWaalsContact CE-OD1 3.24Å; K56-D95 WeakPolarHBondContact CE-OD1 3.26Å; K56-D95 IonicContact NZ-OD1 3.68Å; K56-D95 PolarHBondContact NZ-OD1 2.92Å; K56-D95 IonicContact NZ-OD2 2.81Å; K56-M97 HydrophobicContact CB-CE 3.9Å; K56-M97 HydrophobicContact CG-CE 4.47Å; K56-A98 HydrophobicContact CD-CB 4.21Å
57	H	92.2	Very high	94.3	Very high	108 Å²	108	63.3 Å²	63.3	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-80.4	-40.2	179.9	-71.3	-48.6	0	0	0	113.7	D53 T54 T55 R60	D53-H57 PolarHBondContact O-CD2 2.86Å; D53-H57 PolarHBondContact O-N 3.41Å; T54-H57 PolarHBondContact O-N 3.45Å; T55-H57 VanDerWaalsContact C-N 3.26Å; T55-H57 PolarHBondContact O-N 3Å; H57-R60 PolarHBondContact O-NE 3.4Å
58	N	94.8	Very high	94.4	Very high	131 Å²	131	57.9 Å²	57.9	70%	0.701	30%	0.301	S	S	*	.	H	α-helix	trans	-94.5	-29	-168.1	-67.2	-15.7	0	0	0	114.3	T54 T55	T54-N58 WeakPolarHBondContact CG2-ND2 3.45Å; T54-N58 WeakPolarHBondContact O-CB 3.43Å; T54-N58 PolarHBondContact O-N 3.04Å; T55-N58 PolarHBondContact O-N 2.94Å
59	F	95.6	Very high	94.4	Very high	24 Å²	24	54.9 Å²	54.9	11%	0.105	29%	0.285	C	S	.	.			trans	-103.2	73.9	-177.8	-170.6	-107.7	0	0	0	110.6	R42 V44 T55 V61 Y64 V126 E128	R42-F59 HydrophobicContact CB-CE2 4.19Å; R42-F59 HydrophobicContact CB-CZ 4.27Å; V44-F59 HydrophobicContact CG1-CB 4.27Å; V44-F59 HydrophobicContact CG1-CD2 3.65Å; V44-F59 HydrophobicContact CG1-CE2 4.19Å; V44-F59 HydrophobicContact CG1-CG 4.01Å; V44-F59 HydrophobicContact CG2-CB 3.98Å; V44-F59 HydrophobicContact CG2-CD1 3.98Å; V44-F59 HydrophobicContact CG2-CD2 4.26Å; V44-F59 HydrophobicContact CG2-CG 3.8Å; T55-F59 HydrophobicContact CG2-CB 4.43Å; T55-F59 WeakPolarHBondContact O-CB 3.13Å; T55-F59 PolarHBondContact O-N 3.24Å; F59-V61 HydrophobicContact CD1-CG1 4.44Å; F59-V61 HydrophobicContact CE1-CG1 3.97Å; F59-V61 HydrophobicContact CE1-CG2 4.18Å; F59-V61 HydrophobicContact CE2-CG1 4.45Å; F59-V61 HydrophobicContact CZ-CG1 3.97Å; F59-Y64 HydrophobicContact CD1-CD1 4.37Å; F59-Y64 HydrophobicContact CD1-CE1 4.16Å; F59-Y64 WeakPolarHBondContact O-CE1 3.49Å; F59-Y64 PolarHBondContact O-OH 2.95Å; F59-V126 HydrophobicContact CD1-CG1 4.09Å; F59-V126 HydrophobicContact CE1-CG1 4.29Å; F59-E128 HydrophobicContact CZ-CB 4.45Å
60	R	93.3	Very high	94.3	Very high	184 Å²	184	50.3 Å²	50.3	69%	0.694	26%	0.255	S	S	*	.			trans	-90.8	119.3	-178.5	-65.1	-169.2	-177.4	-153.1	0.7	112.4	H57	H57-R60 PolarHBondContact O-NE 3.4Å
61	V	94.4	Very high	93.8	Very high	24 Å²	24	50.1 Å²	50.1	15%	0.145	24%	0.244	C	C	.	.			trans	-134.5	164.7	178.8	-64.4	0	0	0	0	110.6	F59 E63 Y64 E128	F59-V61 HydrophobicContact CD1-CG1 4.44Å; F59-V61 HydrophobicContact CE1-CG1 3.97Å; F59-V61 HydrophobicContact CE1-CG2 4.18Å; F59-V61 HydrophobicContact CE2-CG1 4.45Å; F59-V61 HydrophobicContact CZ-CG1 3.97Å; V61-E63 VanDerWaalsContact C-N 3.3Å; V61-E63 VanDerWaalsContact CG2-O 3.24Å; V61-E63 WeakPolarHBondContact CG2-O 3.42Å; V61-E63 PolarHBondContact O-N 3.29Å; V61-Y64 HydrophobicContact CG2-CD1 3.48Å; V61-Y64 VanDerWaalsContact CG2-CD1 3.48Å; V61-Y64 HydrophobicContact CG2-CD2 4.26Å; V61-Y64 HydrophobicContact CG2-CE1 3.45Å; V61-Y64 VanDerWaalsContact CG2-CE1 3.45Å; V61-Y64 HydrophobicContact CG2-CE2 4.2Å; V61-Y64 HydrophobicContact CG2-CG 3.9Å; V61-E128 HydrophobicContact CB-CB 4.09Å; V61-E128 HydrophobicContact CG1-CB 3.74Å; V61-E128 HydrophobicContact CG2-CB 4.36Å
62	K	93.2	Very high	93.3	Very high	149 Å²	149	48 Å²	48	65%	0.648	24%	0.236	S	C	*	.	S	Bend	trans	-63.3	-37	-179.8	179.3	-172.8	170.6	-162.5	0	112.2	D131	K62-D131 IonicContact NZ-OD2 3.61Å; K62-D131 PolarHBondContact NZ-OD2 3.45Å
63	E	95.4	Very high	92.8	Very high	43 Å²	43	48.5 Å²	48.5	20%	0.201	24%	0.244	C	C	.	.	S	Bend	trans	-153.5	141.5	-179.4	-172.5	162.8	-158.6	0	0	108.2	V61 K92 A129	V61-E63 VanDerWaalsContact C-N 3.3Å; V61-E63 VanDerWaalsContact CG2-O 3.24Å; V61-E63 WeakPolarHBondContact CG2-O 3.42Å; V61-E63 PolarHBondContact O-N 3.29Å; E63-K92 HydrophobicContact CB-CG 3.93Å; E63-K92 VanDerWaalsContact CD-CE 3.44Å; E63-K92 HydrophobicContact CG-CG 3.77Å; E63-K92 WeakPolarHBondContact OE2-CE 3.4Å; E63-A129 HydrophobicContact CB-CB 3.87Å; E63-A129 HydrophobicContact CG-CB 3.73Å; E63-A129 PolarHBondContact O-N 2.99Å
64	Y	96.9	Very high	92.5	Very high	2 Å²	2	46 Å²	46	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.6	-177.1	-59.9	-91.6	0	0	0	109.6	F59 V61 L90 T91 P94 M97 V126 A127	F59-Y64 HydrophobicContact CD1-CD1 4.37Å; F59-Y64 HydrophobicContact CD1-CE1 4.16Å; F59-Y64 WeakPolarHBondContact O-CE1 3.49Å; F59-Y64 PolarHBondContact O-OH 2.95Å; V61-Y64 HydrophobicContact CG2-CD1 3.48Å; V61-Y64 VanDerWaalsContact CG2-CD1 3.48Å; V61-Y64 HydrophobicContact CG2-CD2 4.26Å; V61-Y64 HydrophobicContact CG2-CE1 3.45Å; V61-Y64 VanDerWaalsContact CG2-CE1 3.45Å; V61-Y64 HydrophobicContact CG2-CE2 4.2Å; V61-Y64 HydrophobicContact CG2-CG 3.9Å; Y64-L90 VanDerWaalsContact O-CA 3.31Å; Y64-L90 WeakPolarHBondContact O-CA 3.48Å; Y64-T91 WeakPolarHBondContact CD2-O 3.15Å; Y64-T91 PolarHBondContact N-O 2.84Å; Y64-T91 PolarHBondContact O-N 3.46Å; Y64-T91 VanDerWaalsContact O-N 3.11Å; Y64-P94 HydrophobicContact CE2-CB 4.39Å; Y64-P94 HydrophobicContact CE2-CG 4Å; Y64-M97 HydrophobicContact CD1-CG 3.96Å; Y64-M97 HydrophobicContact CD2-CB 4.34Å; Y64-M97 HydrophobicContact CG-CB 4.24Å; Y64-M97 HydrophobicContact CG-CG 3.97Å; Y64-V126 HydrophobicContact CD1-CG1 3.69Å; Y64-V126 HydrophobicContact CE1-CG1 4.46Å; Y64-A127 WeakPolarHBondContact CA-O 3.37Å
65	V	96.2	Very high	92.5	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.6	160	68.2	0	0	0	0	109.2	K67 V88 H89 L90 A127 A129	V65-K67 HydrophobicContact CG2-CG 4.05Å; V65-V88 HydrophobicContact CG2-CG1 4.01Å; V65-H89 CarbonylContact C-O 3.57Å; V65-H89 WeakPolarHBondContact CA-O 3.34Å; V65-L90 HydrophobicContact CB-CD2 3.69Å; V65-L90 HydrophobicContact CG2-CD2 3.85Å; V65-A127 HydrophobicContact CG1-CB 3.65Å; V65-A127 PolarHBondContact N-O 3.14Å; V65-A127 PolarHBondContact O-N 3.19Å; V65-A129 HydrophobicContact CB-CB 4.35Å
66	I	97.5	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.9	-178.3	-57.7	89.1	0	0	0	107.7	V88 H89 T91 M97 I100 V101 M104 V124	I66-V88 CarbonylContact O-C 3.57Å; I66-V88 VanDerWaalsContact O-CA 3.25Å; I66-V88 WeakPolarHBondContact O-CA 3.49Å; I66-H89 HydrophobicContact CB-CB 4.5Å; I66-H89 PolarHBondContact N-O 3.45Å; I66-H89 PolarHBondContact O-N 3.24Å; I66-T91 HydrophobicContact CD1-CG2 3.75Å; I66-M97 HydrophobicContact CD1-CB 4.34Å; I66-M97 HydrophobicContact CD1-CG 4.01Å; I66-M97 HydrophobicContact CG1-CG 3.86Å; I66-I100 HydrophobicContact CB-CG2 4.17Å; I66-I100 HydrophobicContact CD1-CD1 4.43Å; I66-I100 HydrophobicContact CG1-CG2 4.48Å; I66-I100 HydrophobicContact CG2-CG2 3.93Å; I66-V101 HydrophobicContact CG1-CG2 4.42Å; I66-V101 HydrophobicContact CG2-CG2 3.76Å; I66-M104 HydrophobicContact CG2-CE 4.27Å; I66-M104 HydrophobicContact CG2-SD 3.97Å; I66-V124 HydrophobicContact CG2-CG1 3.38Å
67	K	97.1	Very high	92.2	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.6	-175.5	-56.6	-167.1	-175.7	-176.4	0	111.6	E26 V65 Q69 G87 V88 M125 F242 D243	E26-K67 WeakPolarHBondContact OE1-CD 3.41Å; E26-K67 IonicContact OE1-NZ 2.75Å; E26-K67 PolarHBondContact OE1-NZ 3.1Å; E26-K67 WeakPolarHBondContact OE2-CD 3.33Å; E26-K67 IonicContact OE2-NZ 3.59Å; V65-K67 HydrophobicContact CG2-CG 4.05Å; K67-Q69 PolarHBondContact O-N 3Å; K67-Q69 PolarHBondContact O-NE2 3.46Å; K67-G87 WeakPolarHBondContact CA-O 3.47Å; K67-V88 HydrophobicContact CB-CG2 4.49Å; K67-V88 HydrophobicContact CG-CG1 4.14Å; K67-V88 HydrophobicContact CG-CG2 4.2Å; K67-M125 HydrophobicContact CB-CE 4.17Å; K67-M125 HydrophobicContact CD-CE 3.71Å; K67-M125 HydrophobicContact CG-CE 4.19Å; K67-M125 PolarHBondContact N-O 3.18Å; K67-M125 PolarHBondContact O-N 2.79Å; K67-F242 PolarHBondContact NZ-O 3.14Å; K67-D243 IonicContact NZ-OD2 3.4Å; K67-D243 PolarHBondContact NZ-OD2 2.95Å
68	A	96.5	Very high	92.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	131.7	168.1	0	0	0	0	0	110.4	I70 R75 F80 G87 M104 L109 V121	A68-I70 PolarHBondContact O-N 3.49Å; A68-R75 VanDerWaalsContact O-CD 3.23Å; A68-R75 WeakPolarHBondContact O-CD 3.36Å; A68-R75 PolarHBondContact O-NH1 2.86Å; A68-F80 HydrophobicContact CB-CZ 4.28Å; A68-G87 PolarHBondContact N-O 3.39Å; A68-M104 HydrophobicContact CB-SD 4.24Å; A68-L109 HydrophobicContact CB-CD2 3.75Å; A68-V121 HydrophobicContact CB-CG1 3.83Å; A68-V121 HydrophobicContact CB-CG2 3.95Å
69	Q	93.8	Very high	92.4	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	23%	0.231	C	C	.	.			trans	-95.1	96.9	176.4	-60.6	-60	-72.3	0	0	108.8	Q25 Y27 L45 K67 Q123 M125	Q25-Q69 VanDerWaalsContact OE1-C 3.3Å; Y27-Q69 HydrophobicContact CD1-CG 4.25Å; L45-Q69 HydrophobicContact CD2-CG 4.21Å; K67-Q69 PolarHBondContact O-N 3Å; K67-Q69 PolarHBondContact O-NE2 3.46Å; Q69-Q123 HydrophobicContact CB-CB 4.28Å; Q69-Q123 WeakPolarHBondContact CB-O 3.3Å; Q69-Q123 PolarHBondContact N-O 2.8Å; Q69-Q123 VanDerWaalsContact N-O 3.09Å; Q69-M125 HydrophobicContact CG-CB 4.04Å; Q69-M125 VanDerWaalsContact NE2-CB 3.34Å
70	I	89.6	Confident	92.5	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	23%	0.227	C	C	.	.			trans	-131.6	153.5	170.1	63	165.9	0	0	0	108.8	Q25 A68 A72 R75 L109 T111 T114 I119 V121	Q25-I70 PolarHBondContact OE1-O 3.07Å; A68-I70 PolarHBondContact O-N 3.49Å; I70-A72 HydrophobicContact CD1-CB 4.1Å; I70-A72 PolarHBondContact O-N 3.37Å; I70-R75 HydrophobicContact CD1-CG 4.2Å; I70-R75 HydrophobicContact CG1-CG 3.9Å; I70-L109 HydrophobicContact CD1-CB 4.23Å; I70-L109 HydrophobicContact CD1-CD2 3.71Å; I70-L109 HydrophobicContact CD1-CG 4.02Å; I70-L109 HydrophobicContact CG1-CD2 4.27Å; I70-T111 HydrophobicContact CD1-CG2 3.9Å; I70-T114 HydrophobicContact CD1-CG2 4.43Å; I70-I119 HydrophobicContact CB-CB 4.31Å; I70-I119 HydrophobicContact CB-CG2 4.08Å; I70-I119 HydrophobicContact CG2-CB 4.05Å; I70-I119 HydrophobicContact CG2-CG2 3.79Å; I70-V121 HydrophobicContact CG2-CG2 3.84Å
71	P	81.8	Confident	92.5	Very high	50 Å²	50	39 Å²	39	33%	0.325	22%	0.218	S	C	.	.	S	Bend	trans	-66.3	-26.5	-179.4	-14	26.2	0	0	0	113.4	E270	P71-E270 HydrophobicContact CG-CG 4.36Å; P71-E270 WeakPolarHBondContact CG-OE1 3.49Å
72	A	83.7	Confident	92.6	Very high	13 Å²	13	42.7 Å²	42.7	11%	0.107	24%	0.237	C	C	.	.	S	Bend	trans	-78.8	142.4	-177.2	0	0	0	0	0	112.2	I70 R75 Q113 T114 I119	I70-A72 HydrophobicContact CD1-CB 4.1Å; I70-A72 PolarHBondContact O-N 3.37Å; A72-R75 WeakPolarHBondContact O-CG 3.3Å; A72-Q113 HydrophobicContact CB-CB 4.17Å; A72-T114 HydrophobicContact CB-CG2 3.6Å; A72-I119 HydrophobicContact CB-CD1 4.05Å
73	G	84.7	Confident	92.7	Very high	23 Å²	23	37.6 Å²	37.6	24%	0.237	23%	0.227	C	C	.	.	S	Bend	trans	-76.8	-177.4	172.1	0	0	0	0	0	113.2	R75 T111	G73-R75 VanDerWaalsContact C-N 3.28Å; G73-R75 PolarHBondContact O-N 2.93Å; G73-T111 WeakPolarHBondContact O-CB 3.46Å; G73-T111 PolarHBondContact O-OG1 3.48Å
74	G	85.6	Confident	92.8	Very high	46 Å²	46	37.4 Å²	37.4	47%	0.474	23%	0.225	S	C	.	.			trans	73	17.3	178.7	0	0	0	0	0	114.7	G76 M77 G78	G74-G76 VanDerWaalsContact C-N 3.3Å; G74-G76 PolarHBondContact O-N 3.36Å; G74-M77 PolarHBondContact O-N 3.28Å; G74-M77 VanDerWaalsContact O-N 3.09Å; G74-G78 PolarHBondContact O-N 2.97Å
75	R	92.5	Very high	92.8	Very high	24 Å²	24	44.8 Å²	44.8	9%	0.091	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-52.4	-43.8	-175.5	-63.5	173.8	-71.6	165.2	-1.4	112.8	E26 A68 I70 A72 G73 M77 G78 G87 V88 L109 D243	E26-R75 IonicContact OE2-CZ 2.93Å; E26-R75 VanDerWaalsContact OE2-CZ 3.25Å; E26-R75 IonicContact OE2-NH1 2.71Å; E26-R75 PolarHBondContact OE2-NH1 3.31Å; E26-R75 IonicContact OE2-NH2 2.79Å; E26-R75 PolarHBondContact OE2-NH2 3.45Å; A68-R75 VanDerWaalsContact O-CD 3.23Å; A68-R75 WeakPolarHBondContact O-CD 3.36Å; A68-R75 PolarHBondContact O-NH1 2.86Å; I70-R75 HydrophobicContact CD1-CG 4.2Å; I70-R75 HydrophobicContact CG1-CG 3.9Å; A72-R75 WeakPolarHBondContact O-CG 3.3Å; G73-R75 VanDerWaalsContact C-N 3.28Å; G73-R75 PolarHBondContact O-N 2.93Å; R75-M77 PolarHBondContact O-N 2.96Å; R75-G78 PolarHBondContact O-N 3.17Å; R75-G87 WeakPolarHBondContact O-CA 3.37Å; R75-G87 PolarHBondContact O-N 3.18Å; R75-V88 HydrophobicContact CB-CG2 4.04Å; R75-L109 HydrophobicContact CB-CD2 4.24Å; R75-L109 HydrophobicContact CG-CD2 4.27Å; R75-D243 IonicContact NH2-OD1 3.33Å; R75-D243 IonicContact NH2-OD2 2.69Å; R75-D243 PolarHBondContact NH2-OD2 2.86Å
76	G	90.6	Very high	92.7	Very high	40 Å²	40	44.7 Å²	44.7	41%	0.412	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.1	-179.2	0	0	0	0	0	114.4	G74 G86	G74-G76 VanDerWaalsContact C-N 3.3Å; G74-G76 PolarHBondContact O-N 3.36Å; G76-G86 VanDerWaalsContact O-CA 3.29Å; G76-G86 WeakPolarHBondContact O-CA 3.23Å
77	M	90.6	Very high	92.6	Very high	165 Å²	165	44.7 Å²	44.7	81%	0.813	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-96.6	1.5	177.2	-63.7	-59.8	-65.3	0	0	113.2	G74 R75	G74-M77 PolarHBondContact O-N 3.28Å; G74-M77 VanDerWaalsContact O-N 3.09Å; R75-M77 PolarHBondContact O-N 2.96Å
78	G	94.5	Very high	92.6	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	27%	0.27	C	S	.	.			trans	-71.5	165.7	-179.3	0	0	0	0	0	112.8	G74 R75 G86 I110	G74-G78 PolarHBondContact O-N 2.97Å; R75-G78 PolarHBondContact O-N 3.17Å; G78-G86 VanDerWaalsContact O-CA 3.31Å; G78-G86 WeakPolarHBondContact O-CA 3.3Å; G78-G86 PolarHBondContact O-N 3.43Å; G78-I110 CarbonylContact C-O 3.59Å; G78-I110 WeakPolarHBondContact CA-O 3.44Å
79	V	97.2	Very high	92.6	Very high	62 Å²	62	48.3 Å²	48.3	38%	0.376	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.5	176.9	-175.2	0	0	0	0	108	I110	V79-I110 PolarHBondContact N-O 3.08Å; V79-I110 WeakPolarHBondContact O-CB 3.33Å; V79-I110 PolarHBondContact O-N 3.03Å
80	F	97.4	Very high	92.7	Very high	2 Å²	2	53 Å²	53	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	155.8	173.3	-72.7	-92.3	0	0	0	110.8	A68 D82 G83 F84 G86 M104 N107 H108 L109 V121	A68-F80 HydrophobicContact CB-CZ 4.28Å; F80-D82 VanDerWaalsContact CB-OD1 3.3Å; F80-D82 WeakPolarHBondContact CB-OD1 3.47Å; F80-D82 PolarHBondContact O-N 3.3Å; F80-D82 VanDerWaalsContact O-N 3.11Å; F80-G83 WeakPolarHBondContact O-CA 3.43Å; F80-G83 PolarHBondContact O-N 2.87Å; F80-F84 HydrophobicContact CB-CB 4.09Å; F80-F84 WeakPolarHBondContact CB-O 3.48Å; F80-F84 HydrophobicContact CD2-CB 4.25Å; F80-F84 AromaticContact CD2-CD1 3.56Å; F80-F84 HydrophobicContact CD2-CD1 3.56Å; F80-F84 HydrophobicContact CD2-CE1 4.42Å; F80-F84 HydrophobicContact CD2-CG 4.35Å; F80-F84 WeakPolarHBondContact CD2-O 3.43Å; F80-F84 AromaticContact CE2-CD1 3.83Å; F80-F84 HydrophobicContact CE2-CD1 3.83Å; F80-F84 HydrophobicContact CE2-CE1 4.27Å; F80-F84 HydrophobicContact CG-CB 4.48Å; F80-F84 HydrophobicContact CG-CD1 4.33Å; F80-F84 PolarHBondContact N-O 2.84Å; F80-G86 WeakPolarHBondContact CE2-O 3.1Å; F80-M104 HydrophobicContact CE1-CB 3.98Å; F80-M104 HydrophobicContact CE1-CG 4.17Å; F80-M104 HydrophobicContact CE2-CE 4.3Å; F80-M104 HydrophobicContact CE2-CG 3.85Å; F80-M104 HydrophobicContact CE2-SD 4.49Å; F80-M104 HydrophobicContact CZ-CB 3.7Å; F80-M104 HydrophobicContact CZ-CE 4.45Å; F80-M104 HydrophobicContact CZ-CG 3.42Å; F80-M104 VanDerWaalsContact CZ-CG 3.42Å; F80-M104 HydrophobicContact CZ-SD 4.08Å; F80-N107 HydrophobicContact CD1-CB 3.7Å; F80-N107 HydrophobicContact CE1-CB 4.24Å; F80-H108 CarbonylContact C-O 3.5Å; F80-H108 VanDerWaalsContact CA-O 3.22Å; F80-H108 WeakPolarHBondContact CA-O 3.45Å; F80-L109 HydrophobicContact CD1-CB 4.16Å; F80-L109 HydrophobicContact CD2-CD1 3.91Å; F80-L109 HydrophobicContact CE1-CB 3.91Å; F80-L109 HydrophobicContact CE1-CD1 4.45Å; F80-L109 HydrophobicContact CE2-CD1 3.81Å; F80-L109 HydrophobicContact CG-CD1 4.28Å; F80-L109 HydrophobicContact CZ-CB 4.18Å; F80-L109 HydrophobicContact CZ-CD1 4.09Å; F80-L109 HydrophobicContact CZ-CD2 4.37Å; F80-L109 HydrophobicContact CZ-CG 4.45Å; F80-V121 HydrophobicContact CE1-CB 4.3Å; F80-V121 HydrophobicContact CE1-CG2 3.62Å; F80-V121 HydrophobicContact CZ-CG2 4.19Å
81	R	93.3	Very high	93	Very high	135 Å²	135	53 Å²	53	51%	0.509	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.5	-175.9	-82	-176.1	-172	174.4	5.8	114.5	G83 H108 I110 S117	R81-G83 VanDerWaalsContact C-N 3.25Å; R81-G83 PolarHBondContact O-N 2.78Å; R81-H108 HydrophobicContact CG-CB 3.8Å; R81-H108 VanDerWaalsContact CZ-CG 3.42Å; R81-H108 PolarHBondContact N-O 2.77Å; R81-H108 PolarHBondContact NH2-CD2 2.91Å; R81-H108 PolarHBondContact NH2-NE2 2.56Å; R81-I110 HydrophobicContact CG-CD1 4.3Å; R81-S117 VanDerWaalsContact CZ-O 3.24Å; R81-S117 PolarHBondContact NE-O 3.42Å; R81-S117 PolarHBondContact NH2-O 3.33Å
82	D	95.5	Very high	93.7	Very high	102 Å²	102	56.9 Å²	56.9	55%	0.545	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0	176.4	66.8	-14.5	0	0	0	113.8	F80 F84 N107	F80-D82 VanDerWaalsContact CB-OD1 3.3Å; F80-D82 WeakPolarHBondContact CB-OD1 3.47Å; F80-D82 PolarHBondContact O-N 3.3Å; F80-D82 VanDerWaalsContact O-N 3.11Å; D82-F84 WeakPolarHBondContact OD1-CB 3.44Å; D82-F84 PolarHBondContact OD1-N 2.71Å; D82-F84 VanDerWaalsContact OD1-N 3.07Å; D82-N107 PolarHBondContact OD1-ND2 3.11Å; D82-N107 PolarHBondContact OD2-ND2 2.76Å; D82-N107 VanDerWaalsContact OD2-ND2 3.17Å
83	G	95.9	Very high	94.4	Very high	42 Å²	42	59.6 Å²	59.6	43%	0.433	33%	0.328	S	S	.	.	S	Bend	trans	91.2	-0.3	-178.9	0	0	0	0	0	114.7	F80 R81 K85	F80-G83 WeakPolarHBondContact O-CA 3.43Å; F80-G83 PolarHBondContact O-N 2.87Å; R81-G83 VanDerWaalsContact C-N 3.25Å; R81-G83 PolarHBondContact O-N 2.78Å; G83-K85 PolarHBondContact O-N 2.76Å
84	F	97.1	Very high	94.9	Very high	39 Å²	39	60.3 Å²	60.3	17%	0.171	33%	0.329	C	S	.	.			trans	-61.6	127	172.6	-176.8	-117.3	0	0	0	109.8	F80 D82 H89 I100 K103 M104	F80-F84 HydrophobicContact CB-CB 4.09Å; F80-F84 WeakPolarHBondContact CB-O 3.48Å; F80-F84 HydrophobicContact CD2-CB 4.25Å; F80-F84 AromaticContact CD2-CD1 3.56Å; F80-F84 HydrophobicContact CD2-CD1 3.56Å; F80-F84 HydrophobicContact CD2-CE1 4.42Å; F80-F84 HydrophobicContact CD2-CG 4.35Å; F80-F84 WeakPolarHBondContact CD2-O 3.43Å; F80-F84 AromaticContact CE2-CD1 3.83Å; F80-F84 HydrophobicContact CE2-CD1 3.83Å; F80-F84 HydrophobicContact CE2-CE1 4.27Å; F80-F84 HydrophobicContact CG-CB 4.48Å; F80-F84 HydrophobicContact CG-CD1 4.33Å; F80-F84 PolarHBondContact N-O 2.84Å; D82-F84 WeakPolarHBondContact OD1-CB 3.44Å; D82-F84 PolarHBondContact OD1-N 2.71Å; D82-F84 VanDerWaalsContact OD1-N 3.07Å; F84-H89 AromaticContact CE1-CE1 3.88Å; F84-H89 AromaticContact CE1-NE2 3.48Å; F84-H89 WeakPolarHBondContact CE1-NE2 3.22Å; F84-H89 AromaticContact CE2-CE1 3.92Å; F84-H89 AromaticContact CZ-CE1 3.3Å; F84-H89 WeakPolarHBondContact CZ-CE1 3.45Å; F84-H89 AromaticContact CZ-ND1 4Å; F84-H89 AromaticContact CZ-NE2 3.4Å; F84-H89 WeakPolarHBondContact CZ-NE2 3.49Å; F84-I100 HydrophobicContact CE1-CG2 4.37Å; F84-I100 HydrophobicContact CZ-CG1 4.49Å; F84-I100 HydrophobicContact CZ-CG2 4.15Å; F84-K103 HydrophobicContact CD1-CB 4.1Å; F84-K103 HydrophobicContact CD2-CD 3.89Å; F84-K103 HydrophobicContact CE1-CB 4.2Å; F84-K103 HydrophobicContact CE2-CD 3.82Å; F84-K103 HydrophobicContact CG-CB 4.35Å; F84-K103 HydrophobicContact CG-CD 4.36Å; F84-K103 HydrophobicContact CZ-CD 4.22Å; F84-M104 HydrophobicContact CE1-CE 4.07Å; F84-M104 HydrophobicContact CE1-CG 4.07Å
85	K	96.9	Very high	95.4	Very high	157 Å²	157	62.6 Å²	62.6	68%	0.683	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-97	136.2	-170.3	-64.5	-175.5	-178.7	178.7	0	111.4	G83 H89	G83-K85 PolarHBondContact O-N 2.76Å; K85-H89 PolarHBondContact O-CE1 3.38Å; K85-H89 PolarHBondContact O-NE2 2.88Å
86	G	95.2	Very high	95.6	Very high	8 Å²	8	65.9 Å²	65.9	8%	0.082	35%	0.346	C	S	.	.			trans	80.5	131	175.8	0	0	0	0	0	112.8	G76 G78 F80 V88 H89	G76-G86 VanDerWaalsContact O-CA 3.29Å; G76-G86 WeakPolarHBondContact O-CA 3.23Å; G78-G86 VanDerWaalsContact O-CA 3.31Å; G78-G86 WeakPolarHBondContact O-CA 3.3Å; G78-G86 PolarHBondContact O-N 3.43Å; F80-G86 WeakPolarHBondContact CE2-O 3.1Å; G86-V88 VanDerWaalsContact C-N 3.33Å; G86-H89 PolarHBondContact O-CD2 3.29Å; G86-H89 PolarHBondContact O-NE2 2.97Å
87	G	95.8	Very high	95.9	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-89.2	3.7	168.7	0	0	0	0	0	113.7	K67 A68 R75	K67-G87 WeakPolarHBondContact CA-O 3.47Å; A68-G87 PolarHBondContact N-O 3.39Å; R75-G87 WeakPolarHBondContact O-CA 3.37Å; R75-G87 PolarHBondContact O-N 3.18Å
88	V	95.9	Very high	96.2	Very high	50 Å²	50	56.8 Å²	56.8	30%	0.303	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.2	178.2	179.9	0	0	0	0	108.9	V65 I66 K67 R75 G86	V65-V88 HydrophobicContact CG2-CG1 4.01Å; I66-V88 CarbonylContact O-C 3.57Å; I66-V88 VanDerWaalsContact O-CA 3.25Å; I66-V88 WeakPolarHBondContact O-CA 3.49Å; K67-V88 HydrophobicContact CB-CG2 4.49Å; K67-V88 HydrophobicContact CG-CG1 4.14Å; K67-V88 HydrophobicContact CG-CG2 4.2Å; R75-V88 HydrophobicContact CB-CG2 4.04Å; G86-V88 VanDerWaalsContact C-N 3.33Å
89	H	96.7	Very high	96.3	Very high	41 Å²	41	61 Å²	61	19%	0.19	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.3	-177.3	-69.3	-106.1	0	0	0	111.5	V65 I66 F84 K85 G86 I100 M104	V65-H89 CarbonylContact C-O 3.57Å; V65-H89 WeakPolarHBondContact CA-O 3.34Å; I66-H89 HydrophobicContact CB-CB 4.5Å; I66-H89 PolarHBondContact N-O 3.45Å; I66-H89 PolarHBondContact O-N 3.24Å; F84-H89 AromaticContact CE1-CE1 3.88Å; F84-H89 AromaticContact CE1-NE2 3.48Å; F84-H89 WeakPolarHBondContact CE1-NE2 3.22Å; F84-H89 AromaticContact CE2-CE1 3.92Å; F84-H89 AromaticContact CZ-CE1 3.3Å; F84-H89 WeakPolarHBondContact CZ-CE1 3.45Å; F84-H89 AromaticContact CZ-ND1 4Å; F84-H89 AromaticContact CZ-NE2 3.4Å; F84-H89 WeakPolarHBondContact CZ-NE2 3.49Å; K85-H89 PolarHBondContact O-CE1 3.38Å; K85-H89 PolarHBondContact O-NE2 2.88Å; G86-H89 PolarHBondContact O-CD2 3.29Å; G86-H89 PolarHBondContact O-NE2 2.97Å; H89-I100 HydrophobicContact CB-CD1 3.96Å; H89-I100 HydrophobicContact CB-CG2 4.01Å; H89-M104 WeakPolarHBondContact CD2-CE 3.45Å
90	L	95.9	Very high	96.3	Very high	105 Å²	105	58.5 Å²	58.5	55%	0.55	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.5	173.2	-70	167.4	0	0	0	109.4	Y64 V65 A129	Y64-L90 VanDerWaalsContact O-CA 3.31Å; Y64-L90 WeakPolarHBondContact O-CA 3.48Å; V65-L90 HydrophobicContact CB-CD2 3.69Å; V65-L90 HydrophobicContact CG2-CD2 3.85Å; L90-A129 HydrophobicContact CD2-CB 3.66Å
91	T	96.7	Very high	96.3	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	152.6	170.2	179	0	0	0	0	110.8	Y64 I66 D93 E96 M97 I100	Y64-T91 WeakPolarHBondContact CD2-O 3.15Å; Y64-T91 PolarHBondContact N-O 2.84Å; Y64-T91 PolarHBondContact O-N 3.46Å; Y64-T91 VanDerWaalsContact O-N 3.11Å; I66-T91 HydrophobicContact CD1-CG2 3.75Å; T91-D93 PolarHBondContact OG1-N 3.44Å; T91-E96 VanDerWaalsContact CB-OE2 3.31Å; T91-E96 WeakPolarHBondContact CB-OE2 3.42Å; T91-E96 HydrophobicContact CG2-CB 4.35Å; T91-E96 HydrophobicContact CG2-CG 4.45Å; T91-E96 PolarHBondContact OG1-OE2 3.21Å; T91-M97 HydrophobicContact CG2-CB 3.84Å; T91-I100 HydrophobicContact CG2-CD1 4.3Å
92	K	96.7	Very high	96.4	Very high	131 Å²	131	55.1 Å²	55.1	57%	0.57	30%	0.297	S	S	*	.	S	Bend	trans	-96.7	-11.2	171.5	-64.1	178.8	-179.1	169.9	0	112.5	E63	E63-K92 HydrophobicContact CB-CG 3.93Å; E63-K92 VanDerWaalsContact CD-CE 3.44Å; E63-K92 HydrophobicContact CG-CG 3.77Å; E63-K92 WeakPolarHBondContact OE2-CE 3.4Å
93	D	96.7	Very high	96.5	Very high	69 Å²	69	54.4 Å²	54.4	37%	0.369	29%	0.289	S	S	.	.			trans	-95.8	117.6	-176.2	-179.2	8.8	0	0	0	110.6	T91 D95 E96 M97	T91-D93 PolarHBondContact OG1-N 3.44Å; D93-D95 PolarHBondContact O-N 3.23Å; D93-D95 WeakPolarHBondContact OD1-CB 3.17Å; D93-D95 PolarHBondContact OD1-N 3.38Å; D93-E96 HydrophobicContact CB-CB 3.87Å; D93-E96 PolarHBondContact O-N 2.9Å; D93-M97 PolarHBondContact O-N 2.87Å
94	P	96.1	Very high	96.5	Very high	39 Å²	39	52.4 Å²	52.4	25%	0.253	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-29.7	174.4	-20.4	31.6	0	0	0	113.8	K56 Y64 A98	K56-P94 HydrophobicContact CG-CB 3.76Å; Y64-P94 HydrophobicContact CE2-CB 4.39Å; Y64-P94 HydrophobicContact CE2-CG 4Å; P94-A98 PolarHBondContact O-N 2.95Å; P94-A98 VanDerWaalsContact O-N 3.14Å
95	D	96.2	Very high	96.5	Very high	94 Å²	94	51.9 Å²	51.9	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-68.3	-45.8	175.4	-77.7	-74.7	0	0	0	111.2	K56 D93 M97 A98 L99	K56-D95 VanDerWaalsContact CE-OD1 3.24Å; K56-D95 WeakPolarHBondContact CE-OD1 3.26Å; K56-D95 IonicContact NZ-OD1 3.68Å; K56-D95 PolarHBondContact NZ-OD1 2.92Å; K56-D95 IonicContact NZ-OD2 2.81Å; D93-D95 PolarHBondContact O-N 3.23Å; D93-D95 WeakPolarHBondContact OD1-CB 3.17Å; D93-D95 PolarHBondContact OD1-N 3.38Å; D95-M97 VanDerWaalsContact C-N 3.35Å; D95-A98 PolarHBondContact O-N 2.82Å; D95-L99 PolarHBondContact O-N 2.94Å
96	E	97	Very high	96.3	Very high	93 Å²	93	46.9 Å²	46.9	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-39.5	174.1	-171.8	177.1	-157.1	0	0	111.9	T91 D93 A98 L99 I100	T91-E96 VanDerWaalsContact CB-OE2 3.31Å; T91-E96 WeakPolarHBondContact CB-OE2 3.42Å; T91-E96 HydrophobicContact CG2-CB 4.35Å; T91-E96 HydrophobicContact CG2-CG 4.45Å; T91-E96 PolarHBondContact OG1-OE2 3.21Å; D93-E96 HydrophobicContact CB-CB 3.87Å; D93-E96 PolarHBondContact O-N 2.9Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.08Å; E96-L99 PolarHBondContact O-N 3.46Å; E96-I100 HydrophobicContact CG-CD1 3.88Å; E96-I100 HydrophobicContact CG-CG1 4.35Å; E96-I100 VanDerWaalsContact O-CG1 3.3Å; E96-I100 WeakPolarHBondContact O-CG1 3.43Å; E96-I100 PolarHBondContact O-N 2.84Å
97	M	97.3	Very high	96.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-49.2	174.4	178.5	-77.1	-65.1	0	0	110.9	T55 K56 Y64 I66 T91 D93 D95 L99 I100 V101 V126	T55-M97 HydrophobicContact CG2-CE 4.11Å; T55-M97 HydrophobicContact CG2-SD 4.43Å; K56-M97 HydrophobicContact CB-CE 3.9Å; K56-M97 HydrophobicContact CG-CE 4.47Å; Y64-M97 HydrophobicContact CD1-CG 3.96Å; Y64-M97 HydrophobicContact CD2-CB 4.34Å; Y64-M97 HydrophobicContact CG-CB 4.24Å; Y64-M97 HydrophobicContact CG-CG 3.97Å; I66-M97 HydrophobicContact CD1-CB 4.34Å; I66-M97 HydrophobicContact CD1-CG 4.01Å; I66-M97 HydrophobicContact CG1-CG 3.86Å; T91-M97 HydrophobicContact CG2-CB 3.84Å; D93-M97 PolarHBondContact O-N 2.87Å; D95-M97 VanDerWaalsContact C-N 3.35Å; M97-L99 VanDerWaalsContact C-N 3.34Å; M97-L99 PolarHBondContact O-N 3.47Å; M97-I100 PolarHBondContact O-N 2.89Å; M97-V101 VanDerWaalsContact O-CG2 3.3Å; M97-V101 WeakPolarHBondContact O-CG2 3.29Å; M97-V101 PolarHBondContact O-N 3.44Å; M97-V101 HydrophobicContact SD-CG2 3.84Å; M97-V126 HydrophobicContact CG-CG1 3.99Å; M97-V126 HydrophobicContact SD-CG1 4.01Å; M97-V126 HydrophobicContact SD-CG2 3.9Å
98	A	96.7	Very high	96.2	Very high	12 Å²	12	49.5 Å²	49.5	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-42.2	177.9	0	0	0	0	0	112.3	V52 K56 P94 D95 E96 V101 S102	V52-A98 HydrophobicContact CG1-CB 3.47Å; V52-A98 VanDerWaalsContact CG1-CB 3.47Å; K56-A98 HydrophobicContact CD-CB 4.21Å; P94-A98 PolarHBondContact O-N 2.95Å; P94-A98 VanDerWaalsContact O-N 3.14Å; D95-A98 PolarHBondContact O-N 2.82Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.08Å; A98-V101 PolarHBondContact O-N 3Å; A98-S102 PolarHBondContact O-N 3.32Å; A98-S102 PolarHBondContact O-OG 3.23Å
99	L	96.5	Very high	96.2	Very high	90 Å²	90	47.1 Å²	47.1	47%	0.471	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-43.7	176.2	-179	63.6	0	0	0	112	D95 E96 M97 S102 K103	D95-L99 PolarHBondContact O-N 2.94Å; E96-L99 PolarHBondContact O-N 3.46Å; M97-L99 VanDerWaalsContact C-N 3.34Å; M97-L99 PolarHBondContact O-N 3.47Å; L99-S102 PolarHBondContact O-N 3Å; L99-S102 PolarHBondContact O-OG 2.84Å; L99-K103 WeakPolarHBondContact O-CG 3.47Å; L99-K103 PolarHBondContact O-N 2.83Å
100	I	97.5	Very high	96.2	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-47.4	178.2	-68.4	165.4	0	0	0	110.3	I66 F84 H89 T91 E96 M97 S102 K103 M104	I66-I100 HydrophobicContact CB-CG2 4.17Å; I66-I100 HydrophobicContact CD1-CD1 4.43Å; I66-I100 HydrophobicContact CG1-CG2 4.48Å; I66-I100 HydrophobicContact CG2-CG2 3.93Å; F84-I100 HydrophobicContact CE1-CG2 4.37Å; F84-I100 HydrophobicContact CZ-CG1 4.49Å; F84-I100 HydrophobicContact CZ-CG2 4.15Å; H89-I100 HydrophobicContact CB-CD1 3.96Å; H89-I100 HydrophobicContact CB-CG2 4.01Å; T91-I100 HydrophobicContact CG2-CD1 4.3Å; E96-I100 HydrophobicContact CG-CD1 3.88Å; E96-I100 HydrophobicContact CG-CG1 4.35Å; E96-I100 VanDerWaalsContact O-CG1 3.3Å; E96-I100 WeakPolarHBondContact O-CG1 3.43Å; E96-I100 PolarHBondContact O-N 2.84Å; M97-I100 PolarHBondContact O-N 2.89Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.47Å; I100-K103 PolarHBondContact O-N 3.47Å; I100-K103 VanDerWaalsContact O-N 3.15Å; I100-M104 HydrophobicContact CG2-CE 3.73Å; I100-M104 HydrophobicContact CG2-SD 4.41Å; I100-M104 WeakPolarHBondContact O-CG 3.27Å; I100-M104 PolarHBondContact O-N 2.93Å
101	V	97.4	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-44.9	178.8	172.4	0	0	0	0	111.1	V46 V52 I66 M97 A98 K103 M104 L105 V124 V126	V46-V101 HydrophobicContact CB-CG1 3.95Å; V46-V101 HydrophobicContact CG1-CG1 3.82Å; V46-V101 HydrophobicContact CG2-CG1 4.19Å; V52-V101 HydrophobicContact CG2-CG1 3.92Å; I66-V101 HydrophobicContact CG1-CG2 4.42Å; I66-V101 HydrophobicContact CG2-CG2 3.76Å; M97-V101 VanDerWaalsContact O-CG2 3.3Å; M97-V101 WeakPolarHBondContact O-CG2 3.29Å; M97-V101 PolarHBondContact O-N 3.44Å; M97-V101 HydrophobicContact SD-CG2 3.84Å; A98-V101 PolarHBondContact O-N 3Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 PolarHBondContact O-N 2.71Å; V101-M104 PolarHBondContact O-N 3.46Å; V101-L105 WeakPolarHBondContact O-CB 3.4Å; V101-L105 PolarHBondContact O-N 2.9Å; V101-V124 HydrophobicContact CG1-CB 4.21Å; V101-V124 HydrophobicContact CG1-CG1 4.43Å; V101-V124 HydrophobicContact CG1-CG2 4.37Å; V101-V124 HydrophobicContact CG2-CG1 4.03Å; V101-V126 HydrophobicContact CG2-CG2 3.76Å
102	S	95.5	Very high	95.7	Very high	67 Å²	67	52.8 Å²	52.8	47%	0.469	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-28.5	179.2	61.2	0	0	0	0	114.3	A98 L99 I100	A98-S102 PolarHBondContact O-N 3.32Å; A98-S102 PolarHBondContact O-OG 3.23Å; L99-S102 PolarHBondContact O-N 3Å; L99-S102 PolarHBondContact O-OG 2.84Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.47Å
103	K	96.2	Very high	95.2	Very high	87 Å²	87	52.2 Å²	52.2	38%	0.378	28%	0.278	S	S	.	.	H	α-helix	trans	-73.2	-30	172.8	-71.8	175.7	179.1	177	0	113.2	F84 L99 I100 V101 N107	F84-K103 HydrophobicContact CD1-CB 4.1Å; F84-K103 HydrophobicContact CD2-CD 3.89Å; F84-K103 HydrophobicContact CE1-CB 4.2Å; F84-K103 HydrophobicContact CE2-CD 3.82Å; F84-K103 HydrophobicContact CG-CB 4.35Å; F84-K103 HydrophobicContact CG-CD 4.36Å; F84-K103 HydrophobicContact CZ-CD 4.22Å; L99-K103 WeakPolarHBondContact O-CG 3.47Å; L99-K103 PolarHBondContact O-N 2.83Å; I100-K103 PolarHBondContact O-N 3.47Å; I100-K103 VanDerWaalsContact O-N 3.15Å; V101-K103 VanDerWaalsContact C-N 3.32Å; V101-K103 PolarHBondContact O-N 2.71Å; K103-N107 WeakPolarHBondContact O-CB 3.49Å; K103-N107 PolarHBondContact O-ND2 2.86Å
104	M	97.5	Very high	94.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-82.5	-46.5	180	-64.7	-170.2	174.4	0	0	112.2	I66 A68 F80 F84 H89 I100 V101 G106 N107 V121 V124	I66-M104 HydrophobicContact CG2-CE 4.27Å; I66-M104 HydrophobicContact CG2-SD 3.97Å; A68-M104 HydrophobicContact CB-SD 4.24Å; F80-M104 HydrophobicContact CE1-CB 3.98Å; F80-M104 HydrophobicContact CE1-CG 4.17Å; F80-M104 HydrophobicContact CE2-CE 4.3Å; F80-M104 HydrophobicContact CE2-CG 3.85Å; F80-M104 HydrophobicContact CE2-SD 4.49Å; F80-M104 HydrophobicContact CZ-CB 3.7Å; F80-M104 HydrophobicContact CZ-CE 4.45Å; F80-M104 HydrophobicContact CZ-CG 3.42Å; F80-M104 VanDerWaalsContact CZ-CG 3.42Å; F80-M104 HydrophobicContact CZ-SD 4.08Å; F84-M104 HydrophobicContact CE1-CE 4.07Å; F84-M104 HydrophobicContact CE1-CG 4.07Å; H89-M104 WeakPolarHBondContact CD2-CE 3.45Å; I100-M104 HydrophobicContact CG2-CE 3.73Å; I100-M104 HydrophobicContact CG2-SD 4.41Å; I100-M104 WeakPolarHBondContact O-CG 3.27Å; I100-M104 PolarHBondContact O-N 2.93Å; V101-M104 PolarHBondContact O-N 3.46Å; M104-G106 PolarHBondContact O-N 2.86Å; M104-N107 VanDerWaalsContact O-CB 3.31Å; M104-N107 WeakPolarHBondContact O-CB 3.44Å; M104-N107 PolarHBondContact O-N 2.83Å; M104-V121 HydrophobicContact CB-CG1 4.46Å; M104-V121 WeakPolarHBondContact O-CB 3.49Å; M104-V124 HydrophobicContact CB-CG2 3.85Å; M104-V124 HydrophobicContact SD-CG1 4.18Å; M104-V124 HydrophobicContact SD-CG2 4.44Å
105	L	95.3	Very high	94	Very high	27 Å²	27	51 Å²	51	14%	0.141	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	126.4	-170.5	-169.6	69.8	0	0	0	111.4	N48 P49 V101 N107 S122 V124	N48-L105 VanDerWaalsContact C-CD2 3.43Å; P49-L105 HydrophobicContact CG-CD2 4.26Å; V101-L105 WeakPolarHBondContact O-CB 3.4Å; V101-L105 PolarHBondContact O-N 2.9Å; L105-N107 PolarHBondContact O-N 2.88Å; L105-S122 VanDerWaalsContact CD1-O 3.26Å; L105-S122 WeakPolarHBondContact CD1-O 3.39Å; L105-V124 HydrophobicContact CB-CG2 4.41Å; L105-V124 HydrophobicContact CD1-CG2 4.36Å
106	G	93.4	Very high	93.5	Very high	53 Å²	53	51.9 Å²	51.9	55%	0.546	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-1.3	-176.3	0	0	0	0	0	114.5	M104 L120 V121	M104-G106 PolarHBondContact O-N 2.86Å; G106-L120 VanDerWaalsContact C-CD1 3.49Å; G106-L120 VanDerWaalsContact O-CD1 3.23Å; G106-L120 WeakPolarHBondContact O-CD1 3.22Å; G106-V121 PolarHBondContact N-O 2.62Å
107	N	94.7	Very high	92.9	Very high	24 Å²	24	50 Å²	50	13%	0.128	28%	0.283	C	S	.	.	S	Bend	trans	-96.4	165.3	175.5	-160.9	-12.5	0	0	0	110.3	F80 D82 K103 M104 L105 V121	F80-N107 HydrophobicContact CD1-CB 3.7Å; F80-N107 HydrophobicContact CE1-CB 4.24Å; D82-N107 PolarHBondContact OD1-ND2 3.11Å; D82-N107 PolarHBondContact OD2-ND2 2.76Å; D82-N107 VanDerWaalsContact OD2-ND2 3.17Å; K103-N107 WeakPolarHBondContact O-CB 3.49Å; K103-N107 PolarHBondContact O-ND2 2.86Å; M104-N107 VanDerWaalsContact O-CB 3.31Å; M104-N107 WeakPolarHBondContact O-CB 3.44Å; M104-N107 PolarHBondContact O-N 2.83Å; L105-N107 PolarHBondContact O-N 2.88Å; N107-V121 PolarHBondContact O-N 3.26Å
108	H	94.4	Very high	92.5	Very high	38 Å²	38	50.3 Å²	50.3	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.4	179.2	-71.4	66.9	0	0	0	110.8	F80 R81 I119 L120	F80-H108 CarbonylContact C-O 3.5Å; F80-H108 VanDerWaalsContact CA-O 3.22Å; F80-H108 WeakPolarHBondContact CA-O 3.45Å; R81-H108 HydrophobicContact CG-CB 3.8Å; R81-H108 VanDerWaalsContact CZ-CG 3.42Å; R81-H108 PolarHBondContact N-O 2.77Å; R81-H108 PolarHBondContact NH2-CD2 2.91Å; R81-H108 PolarHBondContact NH2-NE2 2.56Å; H108-I119 CarbonylContact C-O 3.56Å; H108-I119 VanDerWaalsContact CA-O 3.31Å; H108-I119 WeakPolarHBondContact CA-O 3.31Å; H108-L120 PolarHBondContact CD2-N 2.87Å
109	L	96.4	Very high	92.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.8	177.7	-180	58.7	0	0	0	110.2	A68 I70 R75 F80 T111 G118 I119 V121	A68-L109 HydrophobicContact CB-CD2 3.75Å; I70-L109 HydrophobicContact CD1-CB 4.23Å; I70-L109 HydrophobicContact CD1-CD2 3.71Å; I70-L109 HydrophobicContact CD1-CG 4.02Å; I70-L109 HydrophobicContact CG1-CD2 4.27Å; R75-L109 HydrophobicContact CB-CD2 4.24Å; R75-L109 HydrophobicContact CG-CD2 4.27Å; F80-L109 HydrophobicContact CD1-CB 4.16Å; F80-L109 HydrophobicContact CD2-CD1 3.91Å; F80-L109 HydrophobicContact CE1-CB 3.91Å; F80-L109 HydrophobicContact CE1-CD1 4.45Å; F80-L109 HydrophobicContact CE2-CD1 3.81Å; F80-L109 HydrophobicContact CG-CD1 4.28Å; F80-L109 HydrophobicContact CZ-CB 4.18Å; F80-L109 HydrophobicContact CZ-CD1 4.09Å; F80-L109 HydrophobicContact CZ-CD2 4.37Å; F80-L109 HydrophobicContact CZ-CG 4.45Å; L109-T111 HydrophobicContact CD2-CG2 4.36Å; L109-T111 HydrophobicContact CG-CG2 4.04Å; L109-G118 CarbonylContact O-C 3.51Å; L109-G118 WeakPolarHBondContact O-CA 3.44Å; L109-I119 PolarHBondContact N-O 2.92Å; L109-I119 PolarHBondContact O-N 3.28Å; L109-V121 HydrophobicContact CB-CG2 3.75Å
110	I	95.4	Very high	91.9	Very high	56 Å²	56	49.9 Å²	49.9	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.9	174.9	-56.1	161.1	0	0	0	108	G78 V79 R81 T114	G78-I110 CarbonylContact C-O 3.59Å; G78-I110 WeakPolarHBondContact CA-O 3.44Å; V79-I110 PolarHBondContact N-O 3.08Å; V79-I110 WeakPolarHBondContact O-CB 3.33Å; V79-I110 PolarHBondContact O-N 3.03Å; R81-I110 HydrophobicContact CG-CD1 4.3Å; I110-T114 WeakPolarHBondContact CA-OG1 3.48Å
111	T	93.2	Very high	91.8	Very high	12 Å²	12	49.4 Å²	49.4	7%	0.074	28%	0.28	C	S	.	.			trans	-124.2	174.9	174.1	86.9	0	0	0	0	110.4	I70 G73 L109 Q113 T114	I70-T111 HydrophobicContact CD1-CG2 3.9Å; G73-T111 WeakPolarHBondContact O-CB 3.46Å; G73-T111 PolarHBondContact O-OG1 3.48Å; L109-T111 HydrophobicContact CD2-CG2 4.36Å; L109-T111 HydrophobicContact CG-CG2 4.04Å; T111-Q113 PolarHBondContact O-N 3.15Å; T111-Q113 VanDerWaalsContact O-N 3.12Å; T111-Q113 PolarHBondContact OG1-N 3.44Å; T111-T114 HydrophobicContact CG2-CG2 4.31Å; T111-T114 PolarHBondContact N-OG1 3.06Å; T111-T114 PolarHBondContact O-N 3.2Å; T111-T114 PolarHBondContact O-OG1 3.46Å
112	K	89.9	Confident	91.5	Very high	205 Å²	205	51 Å²	51	89%	0.891	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.9	171.9	-68.8	-175.2	178.2	179.7	0	113.5
113	Q	85.4	Confident	91.5	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.561	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	6.1	-176.6	-63.6	-176.7	-3.2	0	0	112.5	A72 T111	A72-Q113 HydrophobicContact CB-CB 4.17Å; T111-Q113 PolarHBondContact O-N 3.15Å; T111-Q113 VanDerWaalsContact O-N 3.12Å; T111-Q113 PolarHBondContact OG1-N 3.44Å
114	T	85.4	Confident	91.5	Very high	25 Å²	25	44.7 Å²	44.7	15%	0.153	26%	0.255	C	S	.	.	S	Bend	trans	-109	162.4	172.9	66	0	0	0	0	110.5	I70 A72 I110 T111 I119	I70-T114 HydrophobicContact CD1-CG2 4.43Å; A72-T114 HydrophobicContact CB-CG2 3.6Å; I110-T114 WeakPolarHBondContact CA-OG1 3.48Å; T111-T114 HydrophobicContact CG2-CG2 4.31Å; T111-T114 PolarHBondContact N-OG1 3.06Å; T111-T114 PolarHBondContact O-N 3.2Å; T111-T114 PolarHBondContact O-OG1 3.46Å; T114-I119 HydrophobicContact CG2-CD1 3.72Å; T114-I119 HydrophobicContact CG2-CG1 3.8Å
115	T	83.6	Confident	91.5	Very high	56 Å²	56	44.7 Å²	44.7	34%	0.344	26%	0.255	S	S	.	.			trans	-64.3	171	163.8	63.8	0	0	0	0	111	S117 G118 D297	T115-S117 PolarHBondContact O-N 3.23Å; T115-S117 VanDerWaalsContact O-N 3.16Å; T115-S117 PolarHBondContact OG1-OG 3.05Å; T115-G118 PolarHBondContact O-N 2.98Å; T115-D297 VanDerWaalsContact CG2-OD2 3.3Å; T115-D297 WeakPolarHBondContact CG2-OD2 3.46Å
116	S	85.2	Confident	91.6	Very high	113 Å²	113	43.4 Å²	43.4	79%	0.79	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.6	178.3	55.5	0	0	0	0	113.9	G118	S116-G118 VanDerWaalsContact C-N 3.29Å
117	S	84	Confident	91.7	Very high	55 Å²	55	40.9 Å²	40.9	39%	0.385	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18	175.1	59.9	0	0	0	0	113	R81 T115	R81-S117 VanDerWaalsContact CZ-O 3.24Å; R81-S117 PolarHBondContact NE-O 3.42Å; R81-S117 PolarHBondContact NH2-O 3.33Å; T115-S117 PolarHBondContact O-N 3.23Å; T115-S117 VanDerWaalsContact O-N 3.16Å; T115-S117 PolarHBondContact OG1-OG 3.05Å
118	G	88.4	Confident	91.8	Very high	7 Å²	7	41.1 Å²	41.1	7%	0.072	22%	0.223	C	C	.	.			trans	64.5	-176.6	-171.1	0	0	0	0	0	112.9	L109 T115 S116	L109-G118 CarbonylContact O-C 3.51Å; L109-G118 WeakPolarHBondContact O-CA 3.44Å; T115-G118 PolarHBondContact O-N 2.98Å; S116-G118 VanDerWaalsContact C-N 3.29Å
119	I	89.7	Confident	91.7	Very high	49 Å²	49	40.3 Å²	40.3	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.8	179.8	-60.6	177.3	0	0	0	109	I70 A72 H108 L109 T114 V121	I70-I119 HydrophobicContact CB-CB 4.31Å; I70-I119 HydrophobicContact CB-CG2 4.08Å; I70-I119 HydrophobicContact CG2-CB 4.05Å; I70-I119 HydrophobicContact CG2-CG2 3.79Å; A72-I119 HydrophobicContact CB-CD1 4.05Å; H108-I119 CarbonylContact C-O 3.56Å; H108-I119 VanDerWaalsContact CA-O 3.31Å; H108-I119 WeakPolarHBondContact CA-O 3.31Å; L109-I119 PolarHBondContact N-O 2.92Å; L109-I119 PolarHBondContact O-N 3.28Å; T114-I119 HydrophobicContact CG2-CD1 3.72Å; T114-I119 HydrophobicContact CG2-CG1 3.8Å; I119-V121 PolarHBondContact O-N 2.61Å
120	L	92.3	Very high	91.4	Very high	44 Å²	44	42.5 Å²	42.5	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	126.4	174.8	-178.4	70.8	0	0	0	110.3	G106 H108 S122 A273	G106-L120 VanDerWaalsContact C-CD1 3.49Å; G106-L120 VanDerWaalsContact O-CD1 3.23Å; G106-L120 WeakPolarHBondContact O-CD1 3.22Å; H108-L120 PolarHBondContact CD2-N 2.87Å; L120-S122 PolarHBondContact O-N 3.34Å; L120-A273 HydrophobicContact CB-CB 3.72Å; L120-A273 HydrophobicContact CD2-CB 3.74Å; L120-A273 HydrophobicContact CG-CB 4.3Å
121	V	94.3	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.			trans	-87.4	91.7	173.5	-176.4	0	0	0	0	108.4	A68 I70 F80 M104 G106 N107 L109 I119 Q123 V124	A68-V121 HydrophobicContact CB-CG1 3.83Å; A68-V121 HydrophobicContact CB-CG2 3.95Å; I70-V121 HydrophobicContact CG2-CG2 3.84Å; F80-V121 HydrophobicContact CE1-CB 4.3Å; F80-V121 HydrophobicContact CE1-CG2 3.62Å; F80-V121 HydrophobicContact CZ-CG2 4.19Å; M104-V121 HydrophobicContact CB-CG1 4.46Å; M104-V121 WeakPolarHBondContact O-CB 3.49Å; G106-V121 PolarHBondContact N-O 2.62Å; N107-V121 PolarHBondContact O-N 3.26Å; L109-V121 HydrophobicContact CB-CG2 3.75Å; I119-V121 PolarHBondContact O-N 2.61Å; V121-Q123 VanDerWaalsContact CG1-O 3.28Å; V121-Q123 WeakPolarHBondContact CG1-O 3.31Å; V121-V124 HydrophobicContact CG1-CG2 3.89Å
122	S	92.2	Very high	90.9	Very high	33 Å²	33	45.1 Å²	45.1	23%	0.231	25%	0.248	C	C	.	.			trans	-83.4	-14.3	177.3	59.8	0	0	0	0	113.2	L105 L120 V269	L105-S122 VanDerWaalsContact CD1-O 3.26Å; L105-S122 WeakPolarHBondContact CD1-O 3.39Å; L120-S122 PolarHBondContact O-N 3.34Å; S122-V269 WeakPolarHBondContact OG-CG1 3.32Å
123	Q	94	Very high	91	Very high	22 Å²	22	41.7 Å²	41.7	10%	0.103	23%	0.234	C	C	.	.			trans	-145.3	144.2	-178.6	-52.3	-176.6	-6.2	0	0	110.2	V46 R47 Q69 V121	V46-Q123 WeakPolarHBondContact O-CA 3.24Å; R47-Q123 HydrophobicContact CB-CG 4.39Å; R47-Q123 HydrophobicContact CG-CB 4.47Å; R47-Q123 HydrophobicContact CG-CG 3.89Å; R47-Q123 VanDerWaalsContact NE-NE2 3.15Å; Q69-Q123 HydrophobicContact CB-CB 4.28Å; Q69-Q123 WeakPolarHBondContact CB-O 3.3Å; Q69-Q123 PolarHBondContact N-O 2.8Å; Q69-Q123 VanDerWaalsContact N-O 3.09Å; V121-Q123 VanDerWaalsContact CG1-O 3.28Å; V121-Q123 WeakPolarHBondContact CG1-O 3.31Å
124	V	96.9	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.7	176.1	-177.9	0	0	0	0	108.5	V46 I66 V101 M104 L105 V121	V46-V124 PolarHBondContact N-O 3.17Å; V46-V124 PolarHBondContact O-N 3.3Å; I66-V124 HydrophobicContact CG2-CG1 3.38Å; V101-V124 HydrophobicContact CG1-CB 4.21Å; V101-V124 HydrophobicContact CG1-CG1 4.43Å; V101-V124 HydrophobicContact CG1-CG2 4.37Å; V101-V124 HydrophobicContact CG2-CG1 4.03Å; M104-V124 HydrophobicContact CB-CG2 3.85Å; M104-V124 HydrophobicContact SD-CG1 4.18Å; M104-V124 HydrophobicContact SD-CG2 4.44Å; L105-V124 HydrophobicContact CB-CG2 4.41Å; L105-V124 HydrophobicContact CD1-CG2 4.36Å; V121-V124 HydrophobicContact CG1-CG2 3.89Å
125	M	97	Very high	91.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	172.8	-174.4	-178.3	65.3	0	0	109.3	E26 K30 F43 L45 K67 Q69 A127	E26-M125 VanDerWaalsContact CD-CE 3.43Å; E26-M125 HydrophobicContact CG-CE 4.18Å; E26-M125 VanDerWaalsContact OE1-CE 3.23Å; E26-M125 WeakPolarHBondContact OE1-CE 3.31Å; K30-M125 HydrophobicContact CD-SD 4.22Å; F43-M125 HydrophobicContact CB-CG 3.86Å; F43-M125 HydrophobicContact CB-SD 3.96Å; F43-M125 HydrophobicContact CD1-SD 4.46Å; F43-M125 HydrophobicContact CD2-CG 3.84Å; F43-M125 HydrophobicContact CD2-SD 3.82Å; F43-M125 HydrophobicContact CE2-SD 4.46Å; F43-M125 HydrophobicContact CG-CG 4.09Å; F43-M125 HydrophobicContact CG-SD 3.83Å; L45-M125 HydrophobicContact CD2-CB 4.01Å; L45-M125 HydrophobicContact CD2-CG 4.41Å; K67-M125 HydrophobicContact CB-CE 4.17Å; K67-M125 HydrophobicContact CD-CE 3.71Å; K67-M125 HydrophobicContact CG-CE 4.19Å; K67-M125 PolarHBondContact N-O 3.18Å; K67-M125 PolarHBondContact O-N 2.79Å; Q69-M125 HydrophobicContact CG-CB 4.04Å; Q69-M125 VanDerWaalsContact NE2-CB 3.34Å; M125-A127 HydrophobicContact CE-CB 4.42Å
126	V	97.5	Very high	92.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.2	171.1	-178.8	0	0	0	0	107	F43 V44 V46 T55 F59 Y64 M97 V101	F43-V126 CarbonylContact C-O 3.56Å; F43-V126 VanDerWaalsContact CA-O 3.3Å; F43-V126 WeakPolarHBondContact CA-O 3.48Å; V44-V126 HydrophobicContact CG2-CB 4.06Å; V44-V126 PolarHBondContact N-O 3.26Å; V44-V126 PolarHBondContact O-N 3.47Å; V46-V126 HydrophobicContact CG2-CG2 4.08Å; T55-V126 HydrophobicContact CG2-CB 4.33Å; T55-V126 HydrophobicContact CG2-CG1 4.46Å; T55-V126 HydrophobicContact CG2-CG2 4.31Å; F59-V126 HydrophobicContact CD1-CG1 4.09Å; F59-V126 HydrophobicContact CE1-CG1 4.29Å; Y64-V126 HydrophobicContact CD1-CG1 3.69Å; Y64-V126 HydrophobicContact CE1-CG1 4.46Å; M97-V126 HydrophobicContact CG-CG1 3.99Å; M97-V126 HydrophobicContact SD-CG1 4.01Å; M97-V126 HydrophobicContact SD-CG2 3.9Å; V101-V126 HydrophobicContact CG2-CG2 3.76Å
127	A	96.1	Very high	92.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	161.4	-179.4	0	0	0	0	0	111.5	Q41 R42 F43 Y64 V65 M125 A129	Q41-A127 HydrophobicContact CB-CB 4.37Å; R42-A127 CarbonylContact O-C 3.44Å; R42-A127 VanDerWaalsContact O-CA 3.27Å; R42-A127 WeakPolarHBondContact O-CA 3.4Å; R42-A127 WeakPolarHBondContact O-CB 3.27Å; F43-A127 HydrophobicContact CB-CB 3.61Å; Y64-A127 WeakPolarHBondContact CA-O 3.37Å; V65-A127 HydrophobicContact CG1-CB 3.65Å; V65-A127 PolarHBondContact N-O 3.14Å; V65-A127 PolarHBondContact O-N 3.19Å; M125-A127 HydrophobicContact CE-CB 4.42Å; A127-A129 PolarHBondContact O-N 3.07Å
128	E	95.5	Very high	93.6	Very high	29 Å²	29	31.3 Å²	31.3	14%	0.136	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.1	170.5	77	-169.1	148.9	0	0	109.9	Q41 R42 F59 V61 L130	Q41-E128 HydrophobicContact CB-CG 4.23Å; Q41-E128 PolarHBondContact NE2-O 3.33Å; R42-E128 HydrophobicContact CB-CG 4.34Å; R42-E128 VanDerWaalsContact CB-OE1 3.31Å; R42-E128 WeakPolarHBondContact CB-OE1 3.3Å; R42-E128 VanDerWaalsContact CG-OE1 3.27Å; R42-E128 WeakPolarHBondContact CG-OE1 3.35Å; R42-E128 IonicContact CZ-OE2 3.24Å; R42-E128 VanDerWaalsContact CZ-OE2 3.24Å; R42-E128 PolarHBondContact N-OE1 3.44Å; R42-E128 IonicContact NE-OE1 3.37Å; R42-E128 PolarHBondContact NE-OE1 3.46Å; R42-E128 IonicContact NE-OE2 2.87Å; R42-E128 PolarHBondContact NE-OE2 3.24Å; R42-E128 IonicContact NH2-OE2 2.74Å; R42-E128 PolarHBondContact NH2-OE2 2.89Å; R42-E128 PolarHBondContact O-N 2.79Å; F59-E128 HydrophobicContact CZ-CB 4.45Å; V61-E128 HydrophobicContact CB-CB 4.09Å; V61-E128 HydrophobicContact CG1-CB 3.74Å; V61-E128 HydrophobicContact CG2-CB 4.36Å; E128-L130 HydrophobicContact CG-CD2 3.82Å; E128-L130 HydrophobicContact CG-CG 4.05Å; E128-L130 PolarHBondContact O-N 2.94Å
129	A	92.6	Very high	94	Very high	20 Å²	20	31 Å²	31	17%	0.165	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-78.6	120.7	170	0	0	0	0	0	108.5	E63 V65 L90 A127	E63-A129 HydrophobicContact CB-CB 3.87Å; E63-A129 HydrophobicContact CG-CB 3.73Å; E63-A129 PolarHBondContact O-N 2.99Å; V65-A129 HydrophobicContact CB-CB 4.35Å; L90-A129 HydrophobicContact CD2-CB 3.66Å; A127-A129 PolarHBondContact O-N 3.07Å
130	L	91.3	Very high	94.4	Very high	47 Å²	47	28.6 Å²	28.6	25%	0.246	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-99.4	138	174.6	-57.5	173.6	0	0	0	108.5	Q41 E128 I132 T234 V240 F242	Q41-L130 HydrophobicContact CG-CD1 3.87Å; Q41-L130 HydrophobicContact CG-CG 4.22Å; E128-L130 HydrophobicContact CG-CD2 3.82Å; E128-L130 HydrophobicContact CG-CG 4.05Å; E128-L130 PolarHBondContact O-N 2.94Å; L130-I132 WeakPolarHBondContact O-CG1 3.46Å; L130-I132 PolarHBondContact O-N 3.05Å; L130-T234 HydrophobicContact CB-CG2 3.79Å; L130-T234 HydrophobicContact CD1-CG2 3.99Å; L130-T234 HydrophobicContact CG-CG2 4.47Å; L130-V240 HydrophobicContact CD1-CG1 4.13Å; L130-V240 HydrophobicContact CD1-CG2 3.98Å; L130-F242 HydrophobicContact CB-CE1 3.96Å
131	D	89.3	Confident	94.7	Very high	59 Å²	59	28.9 Å²	28.9	32%	0.316	15%	0.145	S	C	.	.			trans	-64	100.2	178.2	-90.7	-70.7	0	0	0	109.9	K62 H133 T234 K235	K62-D131 IonicContact NZ-OD2 3.61Å; K62-D131 PolarHBondContact NZ-OD2 3.45Å; D131-H133 PolarHBondContact O-N 3.27Å; D131-T234 CarbonylContact O-C 3.53Å; D131-T234 VanDerWaalsContact O-CA 3.27Å; D131-T234 WeakPolarHBondContact O-CA 3.4Å; D131-K235 HydrophobicContact CB-CB 4.19Å; D131-K235 HydrophobicContact CB-CD 3.79Å; D131-K235 HydrophobicContact CB-CG 3.96Å; D131-K235 PolarHBondContact O-N 3.17Å; D131-K235 IonicContact OD1-NZ 2.98Å; D131-K235 PolarHBondContact OD1-NZ 3.29Å
132	I	88.4	Confident	94.8	Very high	64 Å²	64	33.3 Å²	33.3	33%	0.328	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.6	-178.5	-44	-172.7	0	0	0	109.9	L130 R134 E135 P230 F242	L130-I132 WeakPolarHBondContact O-CG1 3.46Å; L130-I132 PolarHBondContact O-N 3.05Å; I132-R134 WeakPolarHBondContact CG2-O 3.35Å; I132-E135 HydrophobicContact CD1-CG 4.41Å; I132-E135 HydrophobicContact CG2-CG 3.57Å; I132-P230 HydrophobicContact CD1-CG 4.48Å; I132-F242 HydrophobicContact CB-CZ 4.37Å; I132-F242 HydrophobicContact CD1-CD1 3.86Å; I132-F242 HydrophobicContact CD1-CE1 3.79Å; I132-F242 HydrophobicContact CD1-CG 4.23Å; I132-F242 HydrophobicContact CD1-CZ 4.16Å; I132-F242 HydrophobicContact CG1-CD1 4.14Å; I132-F242 HydrophobicContact CG1-CE1 3.55Å; I132-F242 HydrophobicContact CG1-CE2 4.48Å; I132-F242 HydrophobicContact CG1-CZ 3.76Å; I132-F242 HydrophobicContact CG2-CE2 4.31Å; I132-F242 HydrophobicContact CG2-CZ 4.15Å
133	H	92.2	Very high	95	Very high	132 Å²	132	33.4 Å²	33.4	61%	0.611	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	-38.4	172.3	-179.6	47.9	0	0	0	111.6	D131 E233 K235	D131-H133 PolarHBondContact O-N 3.27Å; H133-E233 HydrophobicContact CB-CG 3.82Å; H133-E233 IonicContact CD2-OE1 3.1Å; H133-E233 PolarHBondContact CD2-OE1 2.82Å; H133-E233 IonicContact CG-OE1 3.63Å; H133-E233 PolarHBondContact N-O 3.5Å; H133-E233 IonicContact NE2-OE1 2.66Å; H133-K235 HydrophobicContact CB-CG 4.17Å
134	R	92.4	Very high	95	Very high	59 Å²	59	41.5 Å²	41.5	22%	0.223	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.7	177	-179.6	173.1	54	-175	-6.8	111.8	I132 T136 L195 G196 F197 G232 E233	I132-R134 WeakPolarHBondContact CG2-O 3.35Å; R134-T136 HydrophobicContact CG-CG2 4.01Å; R134-L195 PolarHBondContact NH1-O 3.48Å; R134-G196 PolarHBondContact NH1-O 3.31Å; R134-F197 VanDerWaalsContact NH2-CG 3.31Å; R134-G232 WeakPolarHBondContact O-CA 3.41Å; R134-E233 HydrophobicContact CB-CG 3.89Å; R134-E233 WeakPolarHBondContact CB-OE1 3.14Å; R134-E233 IonicContact CZ-OE1 3.4Å; R134-E233 IonicContact CZ-OE2 3.73Å; R134-E233 PolarHBondContact N-O 3.13Å; R134-E233 IonicContact NE-OE1 3.34Å; R134-E233 PolarHBondContact NE-OE1 3.34Å; R134-E233 VanDerWaalsContact NE-OE1 3.07Å; R134-E233 IonicContact NE-OE2 3.36Å; R134-E233 IonicContact NH2-OE1 2.62Å; R134-E233 PolarHBondContact NH2-OE1 3.38Å; R134-E233 IonicContact NH2-OE2 3.58Å; R134-E233 PolarHBondContact NH2-OE2 3.46Å; R134-E233 PolarHBondContact O-N 3.43Å; R134-E233 VanDerWaalsContact O-N 3.08Å
135	E	94.5	Very high	94.9	Very high	82 Å²	82	47.6 Å²	47.6	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.6	174.5	-66.7	-178.6	136.2	0	0	110	I132 G157 P230	I132-E135 HydrophobicContact CD1-CG 4.41Å; I132-E135 HydrophobicContact CG2-CG 3.57Å; E135-G157 PolarHBondContact O-N 3.48Å; E135-P230 HydrophobicContact CB-CB 3.75Å; E135-P230 HydrophobicContact CG-CB 3.75Å; E135-P230 HydrophobicContact CG-CG 4.04Å
136	T	96	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	167.3	173.3	74.5	0	0	0	0	110	R134 C154 G157 L195 P230 F231	R134-T136 HydrophobicContact CG-CG2 4.01Å; T136-C154 WeakPolarHBondContact CB-O 3.38Å; T136-G157 VanDerWaalsContact C-CA 3.4Å; T136-L195 HydrophobicContact CG2-CB 4.36Å; T136-L195 HydrophobicContact CG2-CD2 4.28Å; T136-P230 WeakPolarHBondContact O-CA 3Å; T136-F231 CarbonylContact C-O 3.58Å; T136-F231 WeakPolarHBondContact CA-O 3.49Å; T136-F231 WeakPolarHBondContact CB-O 3.5Å; T136-F231 PolarHBondContact N-O 2.85Å; T136-F231 PolarHBondContact O-N 3.22Å; T136-F231 PolarHBondContact OG1-O 3.41Å
137	Y	96.5	Very high	94.6	Very high	10 Å²	10	56.4 Å²	56.4	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134	174.7	174.6	-84.4	0	0	0	109.5	A139 V152 A153 C154 I161 L195 E227 N229	Y137-A139 HydrophobicContact CE1-CB 3.73Å; Y137-A139 WeakPolarHBondContact OH-CB 3.23Å; Y137-V152 HydrophobicContact CE1-CG1 4.23Å; Y137-A153 VanDerWaalsContact O-CA 3.27Å; Y137-A153 WeakPolarHBondContact O-CA 3.42Å; Y137-C154 PolarHBondContact N-O 3.46Å; Y137-C154 PolarHBondContact O-N 3.17Å; Y137-I161 HydrophobicContact CD1-CD1 3.62Å; Y137-I161 HydrophobicContact CD1-CG1 4.02Å; Y137-I161 HydrophobicContact CD2-CB 4.06Å; Y137-I161 HydrophobicContact CD2-CD1 4.29Å; Y137-I161 HydrophobicContact CD2-CG1 4.38Å; Y137-I161 HydrophobicContact CE1-CB 4.19Å; Y137-I161 HydrophobicContact CE1-CD1 3.79Å; Y137-I161 HydrophobicContact CE1-CG1 3.65Å; Y137-I161 HydrophobicContact CE2-CB 3.61Å; Y137-I161 HydrophobicContact CE2-CD1 4.43Å; Y137-I161 HydrophobicContact CE2-CG1 4.04Å; Y137-I161 HydrophobicContact CE2-CG2 3.91Å; Y137-I161 HydrophobicContact CG-CD1 3.9Å; Y137-I161 HydrophobicContact CG-CG1 4.38Å; Y137-L195 WeakPolarHBondContact O-CD2 3.43Å; Y137-E227 HydrophobicContact CE2-CG 3.73Å; Y137-N229 HydrophobicContact CD2-CB 3.87Å; Y137-N229 HydrophobicContact CE2-CB 4.28Å
138	F	97.7	Very high	94.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.4	172.4	-179.7	-93.3	0	0	0	110.9	I140 M151 V152 A153 F191 I211 L214 V228 F231	F138-I140 HydrophobicContact CE1-CD1 3.88Å; F138-I140 HydrophobicContact CE1-CG1 3.62Å; F138-I140 HydrophobicContact CZ-CD1 4.05Å; F138-I140 HydrophobicContact CZ-CG1 3.78Å; F138-M151 HydrophobicContact CE2-CB 4.42Å; F138-M151 HydrophobicContact CE2-SD 4.16Å; F138-M151 HydrophobicContact CZ-CG 4.33Å; F138-M151 HydrophobicContact CZ-SD 4.01Å; F138-V152 CarbonylContact C-O 3.51Å; F138-V152 WeakPolarHBondContact CA-O 3.36Å; F138-A153 HydrophobicContact CD2-CB 4.22Å; F138-F191 HydrophobicContact CD2-CD1 4.24Å; F138-F191 AromaticContact CE2-CD1 3.88Å; F138-F191 HydrophobicContact CE2-CD1 3.88Å; F138-F191 HydrophobicContact CE2-CE1 4.43Å; F138-I211 HydrophobicContact CD2-CG1 4.34Å; F138-I211 HydrophobicContact CE2-CD1 4.32Å; F138-I211 HydrophobicContact CE2-CG1 3.91Å; F138-I211 HydrophobicContact CE2-CG2 4.06Å; F138-I211 HydrophobicContact CZ-CB 4.37Å; F138-I211 HydrophobicContact CZ-CG1 4.11Å; F138-I211 HydrophobicContact CZ-CG2 3.86Å; F138-L214 HydrophobicContact CD1-CD1 3.71Å; F138-L214 HydrophobicContact CE1-CB 4.13Å; F138-L214 HydrophobicContact CE1-CD1 3.67Å; F138-V228 PolarHBondContact N-O 3Å; F138-V228 VanDerWaalsContact N-O 3.15Å; F138-V228 PolarHBondContact O-N 2.87Å; F138-F231 HydrophobicContact CB-CB 4.08Å; F138-F231 HydrophobicContact CB-CD1 3.89Å; F138-F231 HydrophobicContact CB-CG 4.2Å
139	A	98	Very high	94.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.6	175.1	0	0	0	0	0	112.8	Y137 M151 V152 V226 E227	Y137-A139 HydrophobicContact CE1-CB 3.73Å; Y137-A139 WeakPolarHBondContact OH-CB 3.23Å; A139-M151 CarbonylContact O-C 3.54Å; A139-M151 WeakPolarHBondContact O-CA 3.43Å; A139-V152 PolarHBondContact N-O 3.34Å; A139-V152 PolarHBondContact O-N 3.36Å; A139-V226 CarbonylContact C-O 3.56Å; A139-V226 WeakPolarHBondContact CA-O 3.27Å; A139-V226 WeakPolarHBondContact CB-O 3.4Å; A139-E227 HydrophobicContact CB-CB 4.44Å
140	I	98.4	Very high	95	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.2	169.4	-50.5	177.6	0	0	0	106.9	F138 P149 I150 M151 I177 L214 Y215 F218 Q225 V226	F138-I140 HydrophobicContact CE1-CD1 3.88Å; F138-I140 HydrophobicContact CE1-CG1 3.62Å; F138-I140 HydrophobicContact CZ-CD1 4.05Å; F138-I140 HydrophobicContact CZ-CG1 3.78Å; I140-P149 HydrophobicContact CG2-CB 4.41Å; I140-I150 WeakPolarHBondContact CA-O 3.48Å; I140-M151 HydrophobicContact CG1-CG 4.36Å; I140-I177 HydrophobicContact CG2-CD1 4.28Å; I140-L214 HydrophobicContact CD1-CB 4.12Å; I140-Y215 HydrophobicContact CD1-CD2 4.35Å; I140-Y215 HydrophobicContact CG2-CD2 4.37Å; I140-F218 HydrophobicContact CB-CD2 3.85Å; I140-F218 HydrophobicContact CB-CE2 4.22Å; I140-F218 HydrophobicContact CB-CG 4.35Å; I140-F218 HydrophobicContact CD1-CB 4.46Å; I140-F218 HydrophobicContact CG2-CB 4.48Å; I140-F218 HydrophobicContact CG2-CD1 4.11Å; I140-F218 HydrophobicContact CG2-CD2 3.61Å; I140-F218 HydrophobicContact CG2-CE1 4.24Å; I140-F218 HydrophobicContact CG2-CE2 3.77Å; I140-F218 HydrophobicContact CG2-CG 3.82Å; I140-F218 HydrophobicContact CG2-CZ 4.07Å; I140-F218 WeakPolarHBondContact O-CE2 3.3Å; I140-Q225 CarbonylContact O-C 3.53Å; I140-Q225 WeakPolarHBondContact O-CA 3.15Å; I140-V226 HydrophobicContact CB-CB 4.48Å; I140-V226 PolarHBondContact N-O 3.08Å; I140-V226 PolarHBondContact O-N 2.99Å
141	L	97.5	Very high	95.3	Very high	49 Å²	49	53.7 Å²	53.7	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.1	178.4	63.2	106.2	0	0	0	111.8	D143 P149 I150 V152 V224 Q225	L141-D143 HydrophobicContact CD1-CB 4.33Å; L141-D143 PolarHBondContact O-N 3.39Å; L141-P149 CarbonylContact O-C 3.58Å; L141-P149 WeakPolarHBondContact O-CA 3.46Å; L141-I150 HydrophobicContact CD1-CG2 3.84Å; L141-I150 HydrophobicContact CD2-CG2 4.39Å; L141-I150 HydrophobicContact CG-CG2 3.71Å; L141-I150 PolarHBondContact N-O 2.94Å; L141-I150 VanDerWaalsContact N-O 3.08Å; L141-I150 PolarHBondContact O-N 3.07Å; L141-V152 HydrophobicContact CD2-CG2 4.09Å; L141-V224 WeakPolarHBondContact CA-O 3.02Å; L141-Q225 HydrophobicContact CB-CB 4.42Å; L141-Q225 HydrophobicContact CB-CG 4.4Å
142	M	96.6	Very high	95.7	Very high	94 Å²	94	51.5 Å²	51.5	46%	0.463	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	106.3	172.5	-67.9	-57.3	-68.6	0	0	110.1	P149 F218 V224	M142-P149 HydrophobicContact SD-CB 4.22Å; M142-P149 HydrophobicContact SD-CG 3.78Å; M142-F218 HydrophobicContact CG-CZ 3.86Å; M142-F218 HydrophobicContact SD-CE1 3.86Å; M142-F218 HydrophobicContact SD-CZ 3.7Å; M142-V224 PolarHBondContact N-O 3.4Å
143	D	96	Very high	96.1	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.1	-179.9	171.2	45.2	0	0	0	111.9	L141 T145 S146 N147 S148 I150	L141-D143 HydrophobicContact CD1-CB 4.33Å; L141-D143 PolarHBondContact O-N 3.39Å; D143-T145 VanDerWaalsContact C-N 3.29Å; D143-T145 PolarHBondContact O-N 2.65Å; D143-T145 PolarHBondContact OD1-N 2.79Å; D143-T145 PolarHBondContact OD1-OG1 3.22Å; D143-T145 PolarHBondContact OD2-N 2.8Å; D143-S146 VanDerWaalsContact OD2-CB 3.24Å; D143-S146 WeakPolarHBondContact OD2-CB 3.36Å; D143-S146 PolarHBondContact OD2-N 3.43Å; D143-S146 PolarHBondContact OD2-OG 2.91Å; D143-N147 WeakPolarHBondContact O-CA 3.38Å; D143-N147 PolarHBondContact O-N 3.45Å; D143-S148 PolarHBondContact N-O 3.28Å; D143-S148 PolarHBondContact O-N 3Å; D143-I150 HydrophobicContact CB-CB 3.92Å; D143-I150 HydrophobicContact CB-CG2 3.56Å
144	R	94.7	Very high	96.3	Very high	192 Å²	192	42.3 Å²	42.3	73%	0.725	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.9	179.7	-66.3	179.9	64.2	169.5	-0.8	112.7	N147	R144-N147 PolarHBondContact O-OD1 2.97Å
145	T	94.7	Very high	96.4	Very high	127 Å²	127	41.9 Å²	41.9	78%	0.779	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-49	-178.7	-49.6	0	0	0	0	110.8	D143 N147	D143-T145 VanDerWaalsContact C-N 3.29Å; D143-T145 PolarHBondContact O-N 2.65Å; D143-T145 PolarHBondContact OD1-N 2.79Å; D143-T145 PolarHBondContact OD1-OG1 3.22Å; D143-T145 PolarHBondContact OD2-N 2.8Å; T145-N147 VanDerWaalsContact C-N 3.34Å
146	S	93.9	Very high	96.2	Very high	45 Å²	45	42 Å²	42	32%	0.315	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.8	177	60.7	0	0	0	0	113.8	D143 S148	D143-S146 VanDerWaalsContact OD2-CB 3.24Å; D143-S146 WeakPolarHBondContact OD2-CB 3.36Å; D143-S146 PolarHBondContact OD2-N 3.43Å; D143-S146 PolarHBondContact OD2-OG 2.91Å; S146-S148 WeakPolarHBondContact CB-OG 3.43Å; S146-S148 PolarHBondContact O-N 3.39Å; S146-S148 PolarHBondContact OG-OG 2.86Å
147	N	94.9	Very high	95.9	Very high	141 Å²	141	42.5 Å²	42.5	75%	0.754	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	34.4	-172.5	-58.2	-70.2	0	0	0	112.7	D143 R144 T145	D143-N147 WeakPolarHBondContact O-CA 3.38Å; D143-N147 PolarHBondContact O-N 3.45Å; R144-N147 PolarHBondContact O-OD1 2.97Å; T145-N147 VanDerWaalsContact C-N 3.34Å
148	S	95.7	Very high	95.4	Very high	15 Å²	15	44.2 Å²	44.2	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.2	-175.7	69.2	0	0	0	0	110.7	D143 S146 I150 P176	D143-S148 PolarHBondContact N-O 3.28Å; D143-S148 PolarHBondContact O-N 3Å; S146-S148 WeakPolarHBondContact CB-OG 3.43Å; S146-S148 PolarHBondContact O-N 3.39Å; S146-S148 PolarHBondContact OG-OG 2.86Å; S148-I150 PolarHBondContact O-N 3.25Å; S148-P176 VanDerWaalsContact OG-CB 3.32Å; S148-P176 WeakPolarHBondContact OG-CB 3.42Å
149	P	98.1	Very high	94.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	137	161.5	-16.9	29.3	0	0	0	109.6	I140 L141 M142 I177 V179 Y215 F218	I140-P149 HydrophobicContact CG2-CB 4.41Å; L141-P149 CarbonylContact O-C 3.58Å; L141-P149 WeakPolarHBondContact O-CA 3.46Å; M142-P149 HydrophobicContact SD-CB 4.22Å; M142-P149 HydrophobicContact SD-CG 3.78Å; P149-I177 HydrophobicContact CB-CB 4.36Å; P149-I177 HydrophobicContact CB-CD1 4.07Å; P149-I177 PolarHBondContact O-N 3.41Å; P149-V179 HydrophobicContact CG-CG1 3.84Å; P149-Y215 HydrophobicContact CB-CE2 4.15Å; P149-Y215 HydrophobicContact CG-CE2 4.29Å; P149-F218 HydrophobicContact CB-CE1 3.97Å; P149-F218 HydrophobicContact CB-CZ 4.35Å; P149-F218 HydrophobicContact CG-CE1 4.09Å
150	I	98.4	Very high	94.1	Very high	20 Å²	20	51.4 Å²	51.4	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.1	175.2	-163.1	170.6	0	0	0	109.3	I140 L141 D143 S148 V152 K174 E175	I140-I150 WeakPolarHBondContact CA-O 3.48Å; L141-I150 HydrophobicContact CD1-CG2 3.84Å; L141-I150 HydrophobicContact CD2-CG2 4.39Å; L141-I150 HydrophobicContact CG-CG2 3.71Å; L141-I150 PolarHBondContact N-O 2.94Å; L141-I150 VanDerWaalsContact N-O 3.08Å; L141-I150 PolarHBondContact O-N 3.07Å; D143-I150 HydrophobicContact CB-CB 3.92Å; D143-I150 HydrophobicContact CB-CG2 3.56Å; S148-I150 PolarHBondContact O-N 3.25Å; I150-V152 HydrophobicContact CG2-CG2 4.15Å; I150-K174 HydrophobicContact CD1-CB 3.9Å; I150-K174 HydrophobicContact CG1-CB 4.35Å; I150-E175 WeakPolarHBondContact CG1-O 3.37Å
151	M	98.2	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.1	166	-62.5	-167.6	-71.4	0	0	109.2	F138 A139 I140 K174 E175 I177 V183 Q187 F191 I211	F138-M151 HydrophobicContact CE2-CB 4.42Å; F138-M151 HydrophobicContact CE2-SD 4.16Å; F138-M151 HydrophobicContact CZ-CG 4.33Å; F138-M151 HydrophobicContact CZ-SD 4.01Å; A139-M151 CarbonylContact O-C 3.54Å; A139-M151 WeakPolarHBondContact O-CA 3.43Å; I140-M151 HydrophobicContact CG1-CG 4.36Å; M151-K174 VanDerWaalsContact O-CA 3.25Å; M151-K174 WeakPolarHBondContact O-CA 3.43Å; M151-E175 PolarHBondContact N-O 3.32Å; M151-E175 PolarHBondContact O-N 2.99Å; M151-I177 HydrophobicContact CG-CD1 3.43Å; M151-I177 VanDerWaalsContact CG-CD1 3.43Å; M151-I177 HydrophobicContact CG-CG1 3.95Å; M151-I177 HydrophobicContact SD-CD1 4.3Å; M151-V183 HydrophobicContact CE-CG1 4.01Å; M151-V183 HydrophobicContact CE-CG2 4.12Å; M151-V183 HydrophobicContact SD-CG1 4.1Å; M151-V183 HydrophobicContact SD-CG2 3.71Å; M151-Q187 HydrophobicContact CE-CB 3.93Å; M151-F191 HydrophobicContact CB-CD1 4.13Å; M151-F191 HydrophobicContact CB-CE1 3.38Å; M151-F191 HydrophobicContact CB-CE2 4.16Å; M151-F191 HydrophobicContact CB-CZ 3.4Å; M151-F191 VanDerWaalsContact CB-CZ 3.4Å; M151-F191 HydrophobicContact CE-CD2 3.75Å; M151-F191 HydrophobicContact CE-CE2 3.71Å; M151-F191 HydrophobicContact CE-CG 4.23Å; M151-F191 HydrophobicContact CE-CZ 4.15Å; M151-I211 HydrophobicContact SD-CG2 3.73Å
152	V	97.5	Very high	93	Very high	13 Å²	13	55.6 Å²	55.6	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.9	176.4	-176.5	0	0	0	0	108.3	Y137 F138 A139 L141 I150 I172 I173 K174	Y137-V152 HydrophobicContact CE1-CG1 4.23Å; F138-V152 CarbonylContact C-O 3.51Å; F138-V152 WeakPolarHBondContact CA-O 3.36Å; A139-V152 PolarHBondContact N-O 3.34Å; A139-V152 PolarHBondContact O-N 3.36Å; L141-V152 HydrophobicContact CD2-CG2 4.09Å; I150-V152 HydrophobicContact CG2-CG2 4.15Å; V152-I172 HydrophobicContact CG1-CG2 3.63Å; V152-I173 WeakPolarHBondContact CA-O 3.42Å; V152-K174 HydrophobicContact CG1-CG 4.28Å; V152-K174 HydrophobicContact CG2-CG 4.19Å
153	A	96.8	Very high	92.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.4	179.4	0	0	0	0	0	112.1	Y137 F138 I172 I173 F191 L195	Y137-A153 VanDerWaalsContact O-CA 3.27Å; Y137-A153 WeakPolarHBondContact O-CA 3.42Å; F138-A153 HydrophobicContact CD2-CB 4.22Å; A153-I172 WeakPolarHBondContact O-CA 3.48Å; A153-I173 HydrophobicContact CB-CG2 3.6Å; A153-I173 PolarHBondContact N-O 3.39Å; A153-I173 PolarHBondContact O-N 3Å; A153-F191 HydrophobicContact CB-CD1 3.51Å; A153-F191 HydrophobicContact CB-CE1 3.7Å; A153-L195 HydrophobicContact CB-CD2 3.69Å; A153-L195 HydrophobicContact CB-CG 4.11Å
154	C	95.9	Very high	92.1	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	135.7	171.5	-172.7	0	0	0	0	109.2	T136 Y137 K156 I161 I172	T136-C154 WeakPolarHBondContact CB-O 3.38Å; Y137-C154 PolarHBondContact N-O 3.46Å; Y137-C154 PolarHBondContact O-N 3.17Å; C154-K156 PolarHBondContact O-N 2.74Å; C154-I161 HydrophobicContact CB-CD1 4.25Å; C154-I172 HydrophobicContact CB-CG1 4.43Å
155	S	94.3	Very high	92	Very high	51 Å²	51	46.4 Å²	46.4	36%	0.357	27%	0.27	S	S	.	.	S	Bend	trans	-67.4	-13.6	176.6	58.3	0	0	0	0	113.2
156	K	91.4	Very high	91.8	Very high	84 Å²	84	48.8 Å²	48.8	37%	0.365	27%	0.269	S	S	.	.			trans	-98.1	110.3	170.1	-64.6	-179.2	179.8	152.2	0	110	C154 L164 E171	C154-K156 PolarHBondContact O-N 2.74Å; K156-L164 HydrophobicContact CB-CD1 4.36Å; K156-L164 HydrophobicContact CB-CD2 4.08Å; K156-L164 HydrophobicContact CD-CD2 4.28Å; K156-L164 VanDerWaalsContact O-CD1 3.24Å; K156-L164 WeakPolarHBondContact O-CD1 3.32Å; K156-E171 WeakPolarHBondContact CD-OE2 3.36Å; K156-E171 WeakPolarHBondContact CE-OE2 3.49Å; K156-E171 WeakPolarHBondContact CG-OE2 3.1Å; K156-E171 IonicContact NZ-OE1 3.73Å; K156-E171 PolarHBondContact NZ-OE1 3.39Å; K156-E171 IonicContact NZ-OE2 3.7Å; K156-E171 PolarHBondContact NZ-OE2 3.49Å
157	G	89.4	Confident	91.7	Very high	11 Å²	11	54.4 Å²	54.4	11%	0.113	28%	0.284	C	S	.	.			trans	-104	-176.9	171.4	0	0	0	0	0	113	E135 T136 M159	E135-G157 PolarHBondContact O-N 3.48Å; T136-G157 VanDerWaalsContact C-CA 3.4Å; G157-M159 PolarHBondContact O-N 3.01Å
158	G	84.5	Confident	91.3	Very high	45 Å²	45	49.2 Å²	49.2	46%	0.464	26%	0.258	S	S	.	.	S	Bend	trans	77.6	2.4	176.3	0	0	0	0	0	114.6	N229	G158-N229 PolarHBondContact N-OD1 3.09Å
159	M	82.6	Confident	91.1	Very high	70 Å²	70	52.4 Å²	52.4	35%	0.345	28%	0.278	S	S	.	.	S	Bend	trans	-126.6	161.7	180	-63.3	-174.7	57.9	0	0	111.2	G157 I161 L164 N229	G157-M159 PolarHBondContact O-N 3.01Å; M159-I161 PolarHBondContact O-N 2.98Å; M159-L164 HydrophobicContact CB-CD1 4.37Å; M159-L164 HydrophobicContact CB-CG 4.39Å; M159-L164 HydrophobicContact SD-CD2 4.5Å; M159-N229 PolarHBondContact O-ND2 2.94Å
160	D	85.6	Confident	90.9	Very high	81 Å²	81	57.8 Å²	57.8	43%	0.433	32%	0.316	S	S	.	.			trans	-60.6	127.3	171.9	175.8	-49.7	0	0	0	110	E162 E163 L164	D160-E162 VanDerWaalsContact C-N 3.31Å; D160-E162 PolarHBondContact O-N 3.38Å; D160-E162 VanDerWaalsContact OD1-CA 3.28Å; D160-E162 WeakPolarHBondContact OD1-CA 3.44Å; D160-E162 WeakPolarHBondContact OD1-CB 3.33Å; D160-E162 PolarHBondContact OD1-N 2.97Å; D160-E163 HydrophobicContact CB-CB 4.27Å; D160-E163 WeakPolarHBondContact O-CB 3.47Å; D160-E163 PolarHBondContact O-N 3.44Å; D160-E163 PolarHBondContact OD1-N 3.13Å; D160-L164 PolarHBondContact O-N 3.07Å; D160-L164 VanDerWaalsContact O-N 3.15Å
161	I	86.9	Confident	90.6	Very high	21 Å²	21	59.8 Å²	59.8	11%	0.108	33%	0.325	C	S	.	.	H	α-helix	trans	-72.2	-28.2	-174.9	-171.9	61.3	0	0	0	111.5	Y137 C154 M159 E163 L164 A165 I172	Y137-I161 HydrophobicContact CD1-CD1 3.62Å; Y137-I161 HydrophobicContact CD1-CG1 4.02Å; Y137-I161 HydrophobicContact CD2-CB 4.06Å; Y137-I161 HydrophobicContact CD2-CD1 4.29Å; Y137-I161 HydrophobicContact CD2-CG1 4.38Å; Y137-I161 HydrophobicContact CE1-CB 4.19Å; Y137-I161 HydrophobicContact CE1-CD1 3.79Å; Y137-I161 HydrophobicContact CE1-CG1 3.65Å; Y137-I161 HydrophobicContact CE2-CB 3.61Å; Y137-I161 HydrophobicContact CE2-CD1 4.43Å; Y137-I161 HydrophobicContact CE2-CG1 4.04Å; Y137-I161 HydrophobicContact CE2-CG2 3.91Å; Y137-I161 HydrophobicContact CG-CD1 3.9Å; Y137-I161 HydrophobicContact CG-CG1 4.38Å; C154-I161 HydrophobicContact CB-CD1 4.25Å; M159-I161 PolarHBondContact O-N 2.98Å; I161-E163 VanDerWaalsContact C-N 3.32Å; I161-L164 HydrophobicContact CD1-CB 4.19Å; I161-L164 HydrophobicContact CD1-CD1 4.1Å; I161-L164 PolarHBondContact O-N 3.05Å; I161-A165 WeakPolarHBondContact O-CB 3.11Å; I161-A165 PolarHBondContact O-N 3.43Å; I161-I172 HydrophobicContact CD1-CD1 3.89Å; I161-I172 HydrophobicContact CD1-CG1 4.31Å; I161-I172 HydrophobicContact CG1-CD1 4.47Å
162	E	86.9	Confident	90.4	Very high	117 Å²	117	61 Å²	61	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-67.5	-33.6	173.8	-58.7	90.6	145.7	0	0	111.4	D160 K166	D160-E162 VanDerWaalsContact C-N 3.31Å; D160-E162 PolarHBondContact O-N 3.38Å; D160-E162 VanDerWaalsContact OD1-CA 3.28Å; D160-E162 WeakPolarHBondContact OD1-CA 3.44Å; D160-E162 WeakPolarHBondContact OD1-CB 3.33Å; D160-E162 PolarHBondContact OD1-N 2.97Å; E162-K166 WeakPolarHBondContact O-CG 3.48Å; E162-K166 PolarHBondContact O-N 3.08Å
163	E	87.9	Confident	90.3	Very high	77 Å²	77	62.8 Å²	62.8	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-67.7	-45.5	169.8	-162.4	-168.2	147.7	0	0	111.4	D160 I161 A165 K166 R167	D160-E163 HydrophobicContact CB-CB 4.27Å; D160-E163 WeakPolarHBondContact O-CB 3.47Å; D160-E163 PolarHBondContact O-N 3.44Å; D160-E163 PolarHBondContact OD1-N 3.13Å; I161-E163 VanDerWaalsContact C-N 3.32Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.29Å; E163-K166 PolarHBondContact O-N 2.98Å; E163-R167 HydrophobicContact CG-CG 4.43Å; E163-R167 WeakPolarHBondContact O-CG 3.07Å; E163-R167 PolarHBondContact O-N 2.85Å; E163-R167 VanDerWaalsContact OE1-CD 3.24Å; E163-R167 WeakPolarHBondContact OE1-CD 3.41Å; E163-R167 IonicContact OE1-CZ 3.25Å; E163-R167 IonicContact OE1-NE 2.78Å; E163-R167 IonicContact OE1-NH1 3.12Å; E163-R167 PolarHBondContact OE1-NH1 2.86Å
164	L	86.7	Confident	90.3	Very high	5 Å²	5	69 Å²	69	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-39.3	176.9	-70	172.2	0	0	0	111.8	K156 M159 D160 I161 K166 R167 C168	K156-L164 HydrophobicContact CB-CD1 4.36Å; K156-L164 HydrophobicContact CB-CD2 4.08Å; K156-L164 HydrophobicContact CD-CD2 4.28Å; K156-L164 VanDerWaalsContact O-CD1 3.24Å; K156-L164 WeakPolarHBondContact O-CD1 3.32Å; M159-L164 HydrophobicContact CB-CD1 4.37Å; M159-L164 HydrophobicContact CB-CG 4.39Å; M159-L164 HydrophobicContact SD-CD2 4.5Å; D160-L164 PolarHBondContact O-N 3.07Å; D160-L164 VanDerWaalsContact O-N 3.15Å; I161-L164 HydrophobicContact CD1-CB 4.19Å; I161-L164 HydrophobicContact CD1-CD1 4.1Å; I161-L164 PolarHBondContact O-N 3.05Å; L164-K166 VanDerWaalsContact C-N 3.27Å; L164-K166 PolarHBondContact O-N 3.12Å; L164-R167 PolarHBondContact O-N 3.4Å; L164-C168 CarbonylContact O-C 3.43Å; L164-C168 WeakPolarHBondContact O-CA 3.48Å; L164-C168 PolarHBondContact O-N 2.91Å
165	A	90.9	Very high	90.4	Very high	45 Å²	45	70.6 Å²	70.6	37%	0.372	37%	0.374	S	S	.	.	H	α-helix	trans	-63.8	-31.9	177.1	0	0	0	0	0	112.7	I161 E163 P169 I172	I161-A165 WeakPolarHBondContact O-CB 3.11Å; I161-A165 PolarHBondContact O-N 3.43Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 3.29Å; A165-P169 WeakPolarHBondContact O-CB 3.3Å; A165-I172 VanDerWaalsContact CA-CD1 3.45Å; A165-I172 HydrophobicContact CB-CD1 3.62Å
166	K	91.8	Very high	90.6	Very high	178 Å²	178	71.4 Å²	71.4	77%	0.774	38%	0.378	S	S	*	.	H	α-helix	trans	-77.5	-43	174.7	-70.6	170.3	-175.4	171.2	0	112.3	E162 E163 L164	E162-K166 WeakPolarHBondContact O-CG 3.48Å; E162-K166 PolarHBondContact O-N 3.08Å; E163-K166 PolarHBondContact O-N 2.98Å; L164-K166 VanDerWaalsContact C-N 3.27Å; L164-K166 PolarHBondContact O-N 3.12Å
167	R	90.8	Very high	90.9	Very high	163 Å²	163	67.4 Å²	67.4	62%	0.615	36%	0.361	S	S	*	.	H	α-helix	trans	-83.7	-40.1	-171.9	-69.8	176.3	62.8	-177.9	-4.4	113.5	E163 L164	E163-R167 HydrophobicContact CG-CG 4.43Å; E163-R167 WeakPolarHBondContact O-CG 3.07Å; E163-R167 PolarHBondContact O-N 2.85Å; E163-R167 VanDerWaalsContact OE1-CD 3.24Å; E163-R167 WeakPolarHBondContact OE1-CD 3.41Å; E163-R167 IonicContact OE1-CZ 3.25Å; E163-R167 IonicContact OE1-NE 2.78Å; E163-R167 IonicContact OE1-NH1 3.12Å; E163-R167 PolarHBondContact OE1-NH1 2.86Å; L164-R167 PolarHBondContact O-N 3.4Å
168	C	87.4	Confident	91.3	Very high	31 Å²	31	71.2 Å²	71.2	21%	0.209	38%	0.378	C	S	.	.			trans	-141.3	58.5	-171.5	-56.9	0	0	0	0	111.2	L164 S170 E171	L164-C168 CarbonylContact O-C 3.43Å; L164-C168 WeakPolarHBondContact O-CA 3.48Å; L164-C168 PolarHBondContact O-N 2.91Å; C168-S170 PolarHBondContact O-N 3.22Å; C168-S170 VanDerWaalsContact O-N 3.08Å; C168-E171 HydrophobicContact CB-CB 4.35Å; C168-E171 HydrophobicContact CB-CG 4.08Å; C168-E171 PolarHBondContact O-N 2.88Å
169	P	91.8	Very high	91.8	Very high	83 Å²	83	73.7 Å²	73.7	54%	0.539	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-57.8	-28.5	-175.8	22.6	-33.8	0	0	0	113.7	A165 E171 I172	A165-P169 WeakPolarHBondContact O-CB 3.3Å; P169-E171 PolarHBondContact O-N 3.08Å; P169-I172 PolarHBondContact O-N 3.35Å
170	S	92.9	Very high	92.4	Very high	115 Å²	115	76 Å²	76	80%	0.804	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-68.8	-16.4	178	55.3	0	0	0	0	114.4	C168 I172	C168-S170 PolarHBondContact O-N 3.22Å; C168-S170 VanDerWaalsContact O-N 3.08Å; S170-I172 VanDerWaalsContact C-N 3.33Å
171	E	91.5	Very high	93	Very high	63 Å²	63	76.9 Å²	76.9	29%	0.294	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-87.6	-8.2	177.2	-63.9	-178.1	-149.2	0	0	112.5	K156 C168 P169	K156-E171 WeakPolarHBondContact CD-OE2 3.36Å; K156-E171 WeakPolarHBondContact CE-OE2 3.49Å; K156-E171 WeakPolarHBondContact CG-OE2 3.1Å; K156-E171 IonicContact NZ-OE1 3.73Å; K156-E171 PolarHBondContact NZ-OE1 3.39Å; K156-E171 IonicContact NZ-OE2 3.7Å; K156-E171 PolarHBondContact NZ-OE2 3.49Å; C168-E171 HydrophobicContact CB-CB 4.35Å; C168-E171 HydrophobicContact CB-CG 4.08Å; C168-E171 PolarHBondContact O-N 2.88Å; P169-E171 PolarHBondContact O-N 3.08Å
172	I	94.9	Very high	93.5	Very high	24 Å²	24	76.3 Å²	76.3	12%	0.123	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	112.7	177.4	-57.5	-178.2	0	0	0	109	V152 A153 C154 I161 A165 P169 S170 K174	V152-I172 HydrophobicContact CG1-CG2 3.63Å; A153-I172 WeakPolarHBondContact O-CA 3.48Å; C154-I172 HydrophobicContact CB-CG1 4.43Å; I161-I172 HydrophobicContact CD1-CD1 3.89Å; I161-I172 HydrophobicContact CD1-CG1 4.31Å; I161-I172 HydrophobicContact CG1-CD1 4.47Å; A165-I172 VanDerWaalsContact CA-CD1 3.45Å; A165-I172 HydrophobicContact CB-CD1 3.62Å; P169-I172 PolarHBondContact O-N 3.35Å; S170-I172 VanDerWaalsContact C-N 3.33Å; I172-K174 HydrophobicContact CG2-CD 4.48Å; I172-K174 HydrophobicContact CG2-CG 4.01Å
173	I	96	Very high	94	Very high	52 Å²	52	71.4 Å²	71.4	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141	169.4	-170.9	169.5	0	0	0	109.8	V152 A153 F191 A194	V152-I173 WeakPolarHBondContact CA-O 3.42Å; A153-I173 HydrophobicContact CB-CG2 3.6Å; A153-I173 PolarHBondContact N-O 3.39Å; A153-I173 PolarHBondContact O-N 3Å; I173-F191 HydrophobicContact CG1-CZ 4.41Å; I173-F191 HydrophobicContact CG2-CD1 4.25Å; I173-F191 HydrophobicContact CG2-CE1 3.97Å; I173-F191 HydrophobicContact CG2-CZ 4.26Å; I173-A194 HydrophobicContact CB-CB 4.37Å; I173-A194 HydrophobicContact CD1-CB 3.84Å; I173-A194 HydrophobicContact CG2-CB 3.83Å
174	K	97	Very high	94.5	Very high	131 Å²	131	70.1 Å²	70.1	57%	0.57	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.6	177.4	-53.5	-177.1	-175.3	177.3	0	109.8	I150 M151 V152 I172	I150-K174 HydrophobicContact CD1-CB 3.9Å; I150-K174 HydrophobicContact CG1-CB 4.35Å; M151-K174 VanDerWaalsContact O-CA 3.25Å; M151-K174 WeakPolarHBondContact O-CA 3.43Å; V152-K174 HydrophobicContact CG1-CG 4.28Å; V152-K174 HydrophobicContact CG2-CG 4.19Å; I172-K174 HydrophobicContact CG2-CD 4.48Å; I172-K174 HydrophobicContact CG2-CG 4.01Å
175	E	97.6	Very high	95	Very high	36 Å²	36	77.2 Å²	77.2	17%	0.168	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	127.2	175.2	-161.3	177.6	157.4	0	0	110.8	I150 M151 Q187 R190 F191	I150-E175 WeakPolarHBondContact CG1-O 3.37Å; M151-E175 PolarHBondContact N-O 3.32Å; M151-E175 PolarHBondContact O-N 2.99Å; E175-Q187 WeakPolarHBondContact OE1-CG 3.42Å; E175-Q187 PolarHBondContact OE1-NE2 2.84Å; E175-R190 IonicContact OE1-CZ 3.72Å; E175-R190 IonicContact OE1-NE 3.9Å; E175-R190 IonicContact OE1-NH2 3.52Å; E175-R190 PolarHBondContact OE1-NH2 2.81Å; E175-R190 IonicContact OE2-CZ 3.86Å; E175-R190 IonicContact OE2-NE 2.63Å; E175-R190 PolarHBondContact OE2-NE 2.94Å; E175-R190 IonicContact OE2-NH2 3.47Å; E175-R190 PolarHBondContact OE2-NH2 3.21Å; E175-F191 HydrophobicContact CB-CE2 3.49Å; E175-F191 VanDerWaalsContact CB-CE2 3.49Å; E175-F191 HydrophobicContact CB-CZ 3.81Å
176	P	98	Very high	95.3	Very high	67 Å²	67	79.8 Å²	79.8	44%	0.435	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	154.2	174.6	30.5	-34.7	0	0	0	111	S148 Q187	S148-P176 VanDerWaalsContact OG-CB 3.32Å; S148-P176 WeakPolarHBondContact OG-CB 3.42Å; P176-Q187 PolarHBondContact O-NE2 2.94Å; P176-Q187 VanDerWaalsContact O-NE2 3.08Å
177	I	98.4	Very high	95.6	Very high	1 Å²	1	72 Å²	72	1%	0.005	39%	0.392	C	S	.	.			trans	-115.7	124.6	-178.8	-52.7	165.7	0	0	0	108.4	I140 P149 M151 V179 V183 Y215	I140-I177 HydrophobicContact CG2-CD1 4.28Å; P149-I177 HydrophobicContact CB-CB 4.36Å; P149-I177 HydrophobicContact CB-CD1 4.07Å; P149-I177 PolarHBondContact O-N 3.41Å; M151-I177 HydrophobicContact CG-CD1 3.43Å; M151-I177 VanDerWaalsContact CG-CD1 3.43Å; M151-I177 HydrophobicContact CG-CG1 3.95Å; M151-I177 HydrophobicContact SD-CD1 4.3Å; I177-V179 PolarHBondContact O-N 3.13Å; I177-V183 HydrophobicContact CD1-CG2 3.72Å; I177-V183 HydrophobicContact CG1-CG2 4.14Å; I177-V183 HydrophobicContact CG2-CG2 4.12Å; I177-Y215 HydrophobicContact CB-CE2 4.26Å; I177-Y215 HydrophobicContact CD1-CD2 3.49Å; I177-Y215 VanDerWaalsContact CD1-CD2 3.49Å; I177-Y215 HydrophobicContact CD1-CE2 3.55Å; I177-Y215 HydrophobicContact CD1-CG 4.42Å; I177-Y215 HydrophobicContact CG1-CE2 4.5Å; I177-Y215 HydrophobicContact CG2-CD2 4.42Å; I177-Y215 HydrophobicContact CG2-CE1 4.31Å; I177-Y215 HydrophobicContact CG2-CE2 3.74Å
178	D	96.9	Very high	95.9	Very high	90 Å²	90	64.3 Å²	64.3	48%	0.481	36%	0.363	S	S	.	.			trans	-66.6	116.9	168.9	-173.3	-45.8	0	0	0	108.9	T180 V181 G182	D178-T180 PolarHBondContact O-N 2.81Å; D178-T180 WeakPolarHBondContact OD1-CA 3.39Å; D178-T180 WeakPolarHBondContact OD1-CB 3.37Å; D178-T180 PolarHBondContact OD1-N 3.42Å; D178-T180 PolarHBondContact OD1-OG1 3.12Å; D178-V181 HydrophobicContact CB-CB 4.26Å; D178-V181 HydrophobicContact CB-CG2 4.25Å; D178-V181 PolarHBondContact O-N 3.02Å; D178-G182 PolarHBondContact O-N 3.06Å
179	V	95.6	Very high	96.4	Very high	97 Å²	97	64.5 Å²	64.5	59%	0.588	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.3	-176.2	-64.5	0	0	0	0	114.1	P149 I177	P149-V179 HydrophobicContact CG-CG1 3.84Å; I177-V179 PolarHBondContact O-N 3.13Å
180	T	95.5	Very high	96.7	Very high	120 Å²	120	64.9 Å²	64.9	74%	0.736	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-26.2	177.9	69.8	0	0	0	0	112.5	D178	D178-T180 PolarHBondContact O-N 2.81Å; D178-T180 WeakPolarHBondContact OD1-CA 3.39Å; D178-T180 WeakPolarHBondContact OD1-CB 3.37Å; D178-T180 PolarHBondContact OD1-N 3.42Å; D178-T180 PolarHBondContact OD1-OG1 3.12Å
181	V	97	Very high	96.9	Very high	99 Å²	99	59.4 Å²	59.4	60%	0.6	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-40	-179.3	-178.9	0	0	0	0	111.3	D178 T184	D178-V181 HydrophobicContact CB-CB 4.26Å; D178-V181 HydrophobicContact CB-CG2 4.25Å; D178-V181 PolarHBondContact O-N 3.02Å; V181-T184 HydrophobicContact CG1-CG2 3.71Å
182	G	97.4	Very high	97.2	Very high	8 Å²	8	56.4 Å²	56.4	8%	0.082	30%	0.303	C	S	.	.			trans	77.6	-168.5	-167.9	0	0	0	0	0	113.2	D178 T184	D178-G182 PolarHBondContact O-N 3.06Å; G182-T184 PolarHBondContact O-N 3.19Å
183	V	98.1	Very high	97.3	Very high	15 Å²	15	58.7 Å²	58.7	9%	0.091	32%	0.318	C	S	.	.	S	Bend	trans	-70.6	112.6	179.6	176	0	0	0	0	110.6	M151 I177 Q187 A188 I211 Q212 Y215	M151-V183 HydrophobicContact CE-CG1 4.01Å; M151-V183 HydrophobicContact CE-CG2 4.12Å; M151-V183 HydrophobicContact SD-CG1 4.1Å; M151-V183 HydrophobicContact SD-CG2 3.71Å; I177-V183 HydrophobicContact CD1-CG2 3.72Å; I177-V183 HydrophobicContact CG1-CG2 4.14Å; I177-V183 HydrophobicContact CG2-CG2 4.12Å; V183-Q187 HydrophobicContact CG1-CB 4.1Å; V183-A188 HydrophobicContact CG1-CB 4.16Å; V183-I211 HydrophobicContact CG1-CG2 4.13Å; V183-Q212 HydrophobicContact CG1-CG 4.17Å; V183-Y215 HydrophobicContact CB-CD1 4.28Å; V183-Y215 HydrophobicContact CB-CG 4.29Å; V183-Y215 HydrophobicContact CG2-CD1 3.84Å; V183-Y215 HydrophobicContact CG2-CD2 3.86Å; V183-Y215 HydrophobicContact CG2-CG 3.44Å; V183-Y215 VanDerWaalsContact CG2-CG 3.44Å
184	T	97.9	Very high	97.2	Very high	49 Å²	49	58.2 Å²	58.2	30%	0.301	32%	0.322	S	S	.	.			trans	-71.5	161.2	176.5	64.8	0	0	0	0	111.8	V181 G182 D186 Q187 A188	V181-T184 HydrophobicContact CG1-CG2 3.71Å; G182-T184 PolarHBondContact O-N 3.19Å; T184-D186 VanDerWaalsContact C-N 3.28Å; T184-D186 PolarHBondContact O-N 3Å; T184-Q187 WeakPolarHBondContact O-CB 3.43Å; T184-Q187 PolarHBondContact O-N 3.09Å; T184-Q187 WeakPolarHBondContact OG1-CB 3.49Å; T184-Q187 VanDerWaalsContact OG1-CG 3.23Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.28Å; T184-Q187 PolarHBondContact OG1-N 2.83Å; T184-Q187 VanDerWaalsContact OG1-N 3.14Å; T184-Q187 PolarHBondContact OG1-OE1 3.39Å; T184-A188 PolarHBondContact O-N 3.35Å
185	E	97.1	Very high	97.1	Very high	154 Å²	154	52 Å²	52	72%	0.72	30%	0.295	S	S	*	.	H	α-helix	trans	-58.8	-42.5	173.3	-66.6	-177.3	171.4	0	0	111.6	Q187 A188 S189	E185-Q187 PolarHBondContact O-N 3.04Å; E185-A188 PolarHBondContact O-N 3.44Å; E185-S189 VanDerWaalsContact O-CB 3.26Å; E185-S189 WeakPolarHBondContact O-CB 3.39Å; E185-S189 PolarHBondContact O-N 2.93Å; E185-S189 PolarHBondContact O-OG 3.28Å
186	D	97.7	Very high	97	Very high	99 Å²	99	52.3 Å²	52.3	53%	0.529	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-39.9	178.6	177.5	49.5	0	0	0	112.4	T184 S189 R190	T184-D186 VanDerWaalsContact C-N 3.28Å; T184-D186 PolarHBondContact O-N 3Å; D186-S189 WeakPolarHBondContact O-CB 3.21Å; D186-S189 PolarHBondContact O-N 3.2Å; D186-R190 PolarHBondContact O-N 2.78Å; D186-R190 IonicContact OD1-NH1 2.85Å; D186-R190 PolarHBondContact OD1-NH1 2.77Å; D186-R190 IonicContact OD2-CZ 2.96Å; D186-R190 IonicContact OD2-NH1 3.48Å; D186-R190 PolarHBondContact OD2-NH1 2.73Å; D186-R190 IonicContact OD2-NH2 3.01Å; D186-R190 PolarHBondContact OD2-NH2 3.17Å
187	Q	98	Very high	96.8	Very high	16 Å²	16	49.2 Å²	49.2	8%	0.075	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-50.5	171	-80.7	-177.9	-40.2	0	0	112.5	M151 E175 P176 V183 T184 E185 S189 R190 F191	M151-Q187 HydrophobicContact CE-CB 3.93Å; E175-Q187 WeakPolarHBondContact OE1-CG 3.42Å; E175-Q187 PolarHBondContact OE1-NE2 2.84Å; P176-Q187 PolarHBondContact O-NE2 2.94Å; P176-Q187 VanDerWaalsContact O-NE2 3.08Å; V183-Q187 HydrophobicContact CG1-CB 4.1Å; T184-Q187 WeakPolarHBondContact O-CB 3.43Å; T184-Q187 PolarHBondContact O-N 3.09Å; T184-Q187 WeakPolarHBondContact OG1-CB 3.49Å; T184-Q187 VanDerWaalsContact OG1-CG 3.23Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.28Å; T184-Q187 PolarHBondContact OG1-N 2.83Å; T184-Q187 VanDerWaalsContact OG1-N 3.14Å; T184-Q187 PolarHBondContact OG1-OE1 3.39Å; E185-Q187 PolarHBondContact O-N 3.04Å; Q187-S189 PolarHBondContact O-N 2.89Å; Q187-R190 PolarHBondContact O-N 3.4Å; Q187-F191 WeakPolarHBondContact O-CD2 3.28Å; Q187-F191 PolarHBondContact O-N 2.91Å
188	A	98.2	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-40.4	178	0	0	0	0	0	111.1	V183 T184 E185 F191 A192 C208 I211 Q212	V183-A188 HydrophobicContact CG1-CB 4.16Å; T184-A188 PolarHBondContact O-N 3.35Å; E185-A188 PolarHBondContact O-N 3.44Å; A188-F191 PolarHBondContact O-N 3.08Å; A188-A192 WeakPolarHBondContact O-CB 3.23Å; A188-A192 PolarHBondContact O-N 3.15Å; A188-C208 HydrophobicContact CB-CB 3.95Å; A188-I211 HydrophobicContact CB-CG2 4.28Å; A188-Q212 HydrophobicContact CB-CG 4.06Å
189	S	97.5	Very high	96.4	Very high	36 Å²	36	52.2 Å²	52.2	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-47	175.7	-87.1	0	0	0	0	113.2	E185 D186 Q187 F191 A192 T193 Y204	E185-S189 VanDerWaalsContact O-CB 3.26Å; E185-S189 WeakPolarHBondContact O-CB 3.39Å; E185-S189 PolarHBondContact O-N 2.93Å; E185-S189 PolarHBondContact O-OG 3.28Å; D186-S189 WeakPolarHBondContact O-CB 3.21Å; D186-S189 PolarHBondContact O-N 3.2Å; Q187-S189 PolarHBondContact O-N 2.89Å; S189-F191 VanDerWaalsContact C-N 3.34Å; S189-F191 PolarHBondContact O-N 2.89Å; S189-A192 PolarHBondContact O-N 3.19Å; S189-T193 PolarHBondContact O-N 3.36Å; S189-T193 PolarHBondContact O-OG1 3.44Å; S189-Y204 WeakPolarHBondContact CA-OH 3.48Å; S189-Y204 WeakPolarHBondContact CB-OH 3.45Å; S189-Y204 PolarHBondContact O-OH 2.77Å; S189-Y204 PolarHBondContact OG-OH 3.17Å
190	R	97.1	Very high	96.2	Very high	91 Å²	91	56 Å²	56	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-45.7	174.4	-83.7	-167.4	-69.6	-80.1	3	112	E175 D186 Q187 T193 A194	E175-R190 IonicContact OE1-CZ 3.72Å; E175-R190 IonicContact OE1-NE 3.9Å; E175-R190 IonicContact OE1-NH2 3.52Å; E175-R190 PolarHBondContact OE1-NH2 2.81Å; E175-R190 IonicContact OE2-CZ 3.86Å; E175-R190 IonicContact OE2-NE 2.63Å; E175-R190 PolarHBondContact OE2-NE 2.94Å; E175-R190 IonicContact OE2-NH2 3.47Å; E175-R190 PolarHBondContact OE2-NH2 3.21Å; D186-R190 PolarHBondContact O-N 2.78Å; D186-R190 IonicContact OD1-NH1 2.85Å; D186-R190 PolarHBondContact OD1-NH1 2.77Å; D186-R190 IonicContact OD2-CZ 2.96Å; D186-R190 IonicContact OD2-NH1 3.48Å; D186-R190 PolarHBondContact OD2-NH1 2.73Å; D186-R190 IonicContact OD2-NH2 3.01Å; D186-R190 PolarHBondContact OD2-NH2 3.17Å; Q187-R190 PolarHBondContact O-N 3.4Å; R190-T193 PolarHBondContact O-N 2.82Å; R190-A194 WeakPolarHBondContact O-CB 3.26Å; R190-A194 PolarHBondContact O-N 3.17Å
191	F	97.8	Very high	96.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-43.2	179.7	-87.8	-109.1	0	0	0	111.7	F138 M151 A153 I173 E175 Q187 A188 S189 T193 A194 L195 I211	F138-F191 HydrophobicContact CD2-CD1 4.24Å; F138-F191 AromaticContact CE2-CD1 3.88Å; F138-F191 HydrophobicContact CE2-CD1 3.88Å; F138-F191 HydrophobicContact CE2-CE1 4.43Å; M151-F191 HydrophobicContact CB-CD1 4.13Å; M151-F191 HydrophobicContact CB-CE1 3.38Å; M151-F191 HydrophobicContact CB-CE2 4.16Å; M151-F191 HydrophobicContact CB-CZ 3.4Å; M151-F191 VanDerWaalsContact CB-CZ 3.4Å; M151-F191 HydrophobicContact CE-CD2 3.75Å; M151-F191 HydrophobicContact CE-CE2 3.71Å; M151-F191 HydrophobicContact CE-CG 4.23Å; M151-F191 HydrophobicContact CE-CZ 4.15Å; A153-F191 HydrophobicContact CB-CD1 3.51Å; A153-F191 HydrophobicContact CB-CE1 3.7Å; I173-F191 HydrophobicContact CG1-CZ 4.41Å; I173-F191 HydrophobicContact CG2-CD1 4.25Å; I173-F191 HydrophobicContact CG2-CE1 3.97Å; I173-F191 HydrophobicContact CG2-CZ 4.26Å; E175-F191 HydrophobicContact CB-CE2 3.49Å; E175-F191 VanDerWaalsContact CB-CE2 3.49Å; E175-F191 HydrophobicContact CB-CZ 3.81Å; Q187-F191 WeakPolarHBondContact O-CD2 3.28Å; Q187-F191 PolarHBondContact O-N 2.91Å; A188-F191 PolarHBondContact O-N 3.08Å; S189-F191 VanDerWaalsContact C-N 3.34Å; S189-F191 PolarHBondContact O-N 2.89Å; F191-T193 VanDerWaalsContact C-N 3.32Å; F191-T193 PolarHBondContact O-N 2.89Å; F191-A194 PolarHBondContact O-N 3.2Å; F191-L195 WeakPolarHBondContact O-CB 3.42Å; F191-L195 WeakPolarHBondContact O-CG 3.28Å; F191-L195 PolarHBondContact O-N 3.35Å; F191-I211 HydrophobicContact CB-CD1 3.73Å
192	A	97.4	Very high	96.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-42.9	175	0	0	0	0	0	111.7	A188 S189 L195 G196 F197 Y204 T207	A188-A192 WeakPolarHBondContact O-CB 3.23Å; A188-A192 PolarHBondContact O-N 3.15Å; S189-A192 PolarHBondContact O-N 3.19Å; A192-L195 PolarHBondContact O-N 2.74Å; A192-G196 PolarHBondContact O-N 2.89Å; A192-F197 WeakPolarHBondContact O-CB 3.34Å; A192-F197 WeakPolarHBondContact O-CD2 3.26Å; A192-F197 PolarHBondContact O-N 2.91Å; A192-Y204 HydrophobicContact CB-CD2 3.61Å; A192-Y204 HydrophobicContact CB-CE2 3.47Å; A192-Y204 VanDerWaalsContact CB-CE2 3.47Å; A192-Y204 HydrophobicContact CB-CG 4.39Å; A192-T207 HydrophobicContact CB-CG2 3.68Å
193	T	96.4	Very high	96	Very high	72 Å²	72	56 Å²	56	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.4	-62.2	0	0	0	0	112	S189 R190 F191 L195 G196 Y204	S189-T193 PolarHBondContact O-N 3.36Å; S189-T193 PolarHBondContact O-OG1 3.44Å; R190-T193 PolarHBondContact O-N 2.82Å; F191-T193 VanDerWaalsContact C-N 3.32Å; F191-T193 PolarHBondContact O-N 2.89Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 2.82Å; T193-G196 WeakPolarHBondContact O-CA 3.25Å; T193-G196 PolarHBondContact O-N 2.79Å; T193-Y204 WeakPolarHBondContact OG1-CE2 3.35Å
194	A	94.4	Very high	95.9	Very high	41 Å²	41	56.6 Å²	56.6	34%	0.339	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-32.7	179.5	0	0	0	0	0	113	I173 R190 F191 G196	I173-A194 HydrophobicContact CB-CB 4.37Å; I173-A194 HydrophobicContact CD1-CB 3.84Å; I173-A194 HydrophobicContact CG2-CB 3.83Å; R190-A194 WeakPolarHBondContact O-CB 3.26Å; R190-A194 PolarHBondContact O-N 3.17Å; F191-A194 PolarHBondContact O-N 3.2Å; A194-G196 PolarHBondContact O-N 2.88Å
195	L	95.6	Very high	95.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.6	171	-66.6	169	0	0	0	112.6	R134 T136 Y137 A153 F191 A192 T193 F197 T207 I211 F231	R134-L195 PolarHBondContact NH1-O 3.48Å; T136-L195 HydrophobicContact CG2-CB 4.36Å; T136-L195 HydrophobicContact CG2-CD2 4.28Å; Y137-L195 WeakPolarHBondContact O-CD2 3.43Å; A153-L195 HydrophobicContact CB-CD2 3.69Å; A153-L195 HydrophobicContact CB-CG 4.11Å; F191-L195 WeakPolarHBondContact O-CB 3.42Å; F191-L195 WeakPolarHBondContact O-CG 3.28Å; F191-L195 PolarHBondContact O-N 3.35Å; A192-L195 PolarHBondContact O-N 2.74Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 2.82Å; L195-F197 HydrophobicContact CB-CD2 3.74Å; L195-F197 HydrophobicContact CB-CE2 3.74Å; L195-F197 HydrophobicContact CD1-CE2 4.42Å; L195-T207 HydrophobicContact CD1-CG2 4.31Å; L195-I211 HydrophobicContact CD1-CD1 4.34Å; L195-F231 HydrophobicContact CD1-CD1 4.02Å; L195-F231 HydrophobicContact CD1-CE1 3.93Å
196	G	94.2	Very high	95.8	Very high	42 Å²	42	53.5 Å²	53.5	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	9	174.4	0	0	0	0	0	115.1	R134 A192 T193 A194	R134-G196 PolarHBondContact NH1-O 3.31Å; A192-G196 PolarHBondContact O-N 2.89Å; T193-G196 WeakPolarHBondContact O-CA 3.25Å; T193-G196 PolarHBondContact O-N 2.79Å; A194-G196 PolarHBondContact O-N 2.88Å
197	F	94.7	Very high	95.8	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	26%	0.263	C	S	.	.			trans	-75	134.6	178.4	-65.1	-87.6	0	0	0	110.5	R134 A192 L195 P199 L203 Y204 T207 E233 I239	R134-F197 VanDerWaalsContact NH2-CG 3.31Å; A192-F197 WeakPolarHBondContact O-CB 3.34Å; A192-F197 WeakPolarHBondContact O-CD2 3.26Å; A192-F197 PolarHBondContact O-N 2.91Å; L195-F197 HydrophobicContact CB-CD2 3.74Å; L195-F197 HydrophobicContact CB-CE2 3.74Å; L195-F197 HydrophobicContact CD1-CE2 4.42Å; F197-P199 WeakPolarHBondContact O-CD 3.39Å; F197-L203 HydrophobicContact CD1-CB 4.06Å; F197-Y204 HydrophobicContact CB-CD2 3.89Å; F197-Y204 WeakPolarHBondContact O-CD2 3.17Å; F197-T207 WeakPolarHBondContact CD1-OG1 3.39Å; F197-T207 HydrophobicContact CD2-CG2 3.71Å; F197-T207 WeakPolarHBondContact CE1-OG1 3.27Å; F197-T207 HydrophobicContact CE2-CG2 3.81Å; F197-T207 HydrophobicContact CG-CG2 4.3Å; F197-T207 HydrophobicContact CZ-CG2 4.5Å; F197-T207 WeakPolarHBondContact CZ-OG1 3.21Å; F197-E233 HydrophobicContact CE1-CB 4.09Å; F197-E233 WeakPolarHBondContact CE1-OE2 3.36Å; F197-I239 HydrophobicContact CD1-CD1 4Å; F197-I239 HydrophobicContact CE1-CD1 3.17Å; F197-I239 HydrophobicContact CZ-CD1 3.61Å
198	N	92.4	Very high	95.8	Very high	89 Å²	89	48.7 Å²	48.7	48%	0.476	26%	0.264	S	S	.	.			trans	-78.8	122.6	-178.1	179.5	-27.1	0	0	0	110.8	H200 T201 Y204	N198-H200 PolarHBondContact O-N 3.42Å; N198-H200 PolarHBondContact OD1-N 3.24Å; N198-T201 HydrophobicContact CB-CG2 3.79Å; N198-T201 WeakPolarHBondContact O-CB 3.44Å; N198-T201 PolarHBondContact O-N 3.34Å; N198-T201 PolarHBondContact O-OG1 3.13Å; N198-Y204 WeakPolarHBondContact O-CB 3.18Å
199	P	93.7	Very high	95.8	Very high	64 Å²	64	54.2 Å²	54.2	42%	0.416	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-21.8	-178.2	-29.9	36.7	0	0	0	116.6	F197 Y204	F197-P199 WeakPolarHBondContact O-CD 3.39Å; P199-Y204 HydrophobicContact CB-CE1 4.31Å; P199-Y204 HydrophobicContact CB-CE2 4.32Å; P199-Y204 HydrophobicContact CG-CD2 4.37Å; P199-Y204 HydrophobicContact CG-CE2 4.01Å
200	H	92.8	Very high	95.8	Very high	178 Å²	178	52.8 Å²	52.8	82%	0.824	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	19.4	-179	-55.8	-61.5	0	0	0	113.8	N198	N198-H200 PolarHBondContact O-N 3.42Å; N198-H200 PolarHBondContact OD1-N 3.24Å
201	T	94.1	Very high	95.9	Very high	49 Å²	49	48.4 Å²	48.4	30%	0.301	26%	0.261	S	S	.	.	S	Bend	trans	-121.1	149.8	-176.2	65.9	0	0	0	0	112	N198 L203 Y204 E205	N198-T201 HydrophobicContact CB-CG2 3.79Å; N198-T201 WeakPolarHBondContact O-CB 3.44Å; N198-T201 PolarHBondContact O-N 3.34Å; N198-T201 PolarHBondContact O-OG1 3.13Å; T201-L203 PolarHBondContact O-N 2.79Å; T201-Y204 WeakPolarHBondContact O-CB 3.14Å; T201-Y204 PolarHBondContact O-N 2.93Å; T201-Y204 VanDerWaalsContact O-N 3.1Å; T201-Y204 PolarHBondContact OG1-N 3.23Å; T201-E205 PolarHBondContact O-N 2.87Å
202	Q	94.7	Very high	95.9	Very high	142 Å²	142	51.4 Å²	51.4	66%	0.664	28%	0.275	S	S	*	.	H	α-helix	trans	-58.5	-33.7	172.7	-171.1	-178.2	5.3	0	0	111.9	Y204 E205 Q206	Q202-Y204 VanDerWaalsContact C-N 3.31Å; Q202-Y204 PolarHBondContact O-N 2.88Å; Q202-E205 PolarHBondContact O-N 2.81Å; Q202-Q206 HydrophobicContact CG-CG 4.47Å; Q202-Q206 WeakPolarHBondContact O-CG 3.37Å; Q202-Q206 PolarHBondContact O-N 3.15Å
203	L	95.6	Very high	95.9	Very high	36 Å²	36	55.1 Å²	55.1	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-40.7	175.8	-75.9	168.1	0	0	0	111.9	F197 T201 Q206 T207 E233 G237 I239	F197-L203 HydrophobicContact CD1-CB 4.06Å; T201-L203 PolarHBondContact O-N 2.79Å; L203-Q206 PolarHBondContact O-N 2.88Å; L203-T207 WeakPolarHBondContact O-CB 3.35Å; L203-T207 PolarHBondContact O-N 2.97Å; L203-T207 PolarHBondContact O-OG1 3.14Å; L203-E233 HydrophobicContact CD2-CB 4.25Å; L203-G237 VanDerWaalsContact CD2-C 3.46Å; L203-G237 WeakPolarHBondContact CD2-O 3.3Å; L203-I239 HydrophobicContact CB-CD1 4.39Å; L203-I239 HydrophobicContact CD2-CD1 3.64Å; L203-I239 HydrophobicContact CD2-CG1 4.09Å
204	Y	96.8	Very high	96	Very high	27 Å²	27	51.7 Å²	51.7	11%	0.106	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-47.5	176.4	178.4	-91.8	0	0	0	112.4	S189 A192 T193 F197 N198 P199 T201 Q202 Q206 T207 C208	S189-Y204 WeakPolarHBondContact CA-OH 3.48Å; S189-Y204 WeakPolarHBondContact CB-OH 3.45Å; S189-Y204 PolarHBondContact O-OH 2.77Å; S189-Y204 PolarHBondContact OG-OH 3.17Å; A192-Y204 HydrophobicContact CB-CD2 3.61Å; A192-Y204 HydrophobicContact CB-CE2 3.47Å; A192-Y204 VanDerWaalsContact CB-CE2 3.47Å; A192-Y204 HydrophobicContact CB-CG 4.39Å; T193-Y204 WeakPolarHBondContact OG1-CE2 3.35Å; F197-Y204 HydrophobicContact CB-CD2 3.89Å; F197-Y204 WeakPolarHBondContact O-CD2 3.17Å; N198-Y204 WeakPolarHBondContact O-CB 3.18Å; P199-Y204 HydrophobicContact CB-CE1 4.31Å; P199-Y204 HydrophobicContact CB-CE2 4.32Å; P199-Y204 HydrophobicContact CG-CD2 4.37Å; P199-Y204 HydrophobicContact CG-CE2 4.01Å; T201-Y204 WeakPolarHBondContact O-CB 3.14Å; T201-Y204 PolarHBondContact O-N 2.93Å; T201-Y204 VanDerWaalsContact O-N 3.1Å; T201-Y204 PolarHBondContact OG1-N 3.23Å; Q202-Y204 VanDerWaalsContact C-N 3.31Å; Q202-Y204 PolarHBondContact O-N 2.88Å; Y204-Q206 VanDerWaalsContact C-N 3.31Å; Y204-Q206 PolarHBondContact O-N 3.21Å; Y204-T207 WeakPolarHBondContact O-CB 3.47Å; Y204-T207 PolarHBondContact O-N 2.59Å; Y204-C208 PolarHBondContact O-N 2.99Å; Y204-C208 PolarHBondContact O-SG 2.88Å; Y204-C208 VanDerWaalsContact O-SG 3.38Å
205	E	96.5	Very high	96.2	Very high	111 Å²	111	50.6 Å²	50.6	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-39.6	176	-65.1	-176.3	-172.1	0	0	112.2	T201 Q202 K209	T201-E205 PolarHBondContact O-N 2.87Å; Q202-E205 PolarHBondContact O-N 2.81Å; E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.48Å; E205-K209 PolarHBondContact O-N 2.81Å; E205-K209 VanDerWaalsContact O-N 3.1Å
206	Q	96.6	Very high	96.3	Very high	27 Å²	27	57.8 Å²	57.8	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-44.3	174.2	-73	-179.6	19.2	0	0	111	Q202 L203 Y204 K209 Q210 I239	Q202-Q206 HydrophobicContact CG-CG 4.47Å; Q202-Q206 WeakPolarHBondContact O-CG 3.37Å; Q202-Q206 PolarHBondContact O-N 3.15Å; L203-Q206 PolarHBondContact O-N 2.88Å; Y204-Q206 VanDerWaalsContact C-N 3.31Å; Y204-Q206 PolarHBondContact O-N 3.21Å; Q206-K209 PolarHBondContact O-N 2.86Å; Q206-Q210 VanDerWaalsContact O-CG 3.3Å; Q206-Q210 WeakPolarHBondContact O-CG 3.43Å; Q206-Q210 PolarHBondContact O-N 2.98Å; Q206-I239 HydrophobicContact CB-CB 4.31Å; Q206-I239 HydrophobicContact CB-CG1 3.65Å
207	T	97.5	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-49.1	177.7	-64.9	0	0	0	0	111.2	A192 L195 F197 L203 Y204 K209 Q210 I211 F231 I239	A192-T207 HydrophobicContact CB-CG2 3.68Å; L195-T207 HydrophobicContact CD1-CG2 4.31Å; F197-T207 WeakPolarHBondContact CD1-OG1 3.39Å; F197-T207 HydrophobicContact CD2-CG2 3.71Å; F197-T207 WeakPolarHBondContact CE1-OG1 3.27Å; F197-T207 HydrophobicContact CE2-CG2 3.81Å; F197-T207 HydrophobicContact CG-CG2 4.3Å; F197-T207 HydrophobicContact CZ-CG2 4.5Å; F197-T207 WeakPolarHBondContact CZ-OG1 3.21Å; L203-T207 WeakPolarHBondContact O-CB 3.35Å; L203-T207 PolarHBondContact O-N 2.97Å; L203-T207 PolarHBondContact O-OG1 3.14Å; Y204-T207 WeakPolarHBondContact O-CB 3.47Å; Y204-T207 PolarHBondContact O-N 2.59Å; T207-K209 VanDerWaalsContact C-N 3.31Å; T207-K209 PolarHBondContact O-N 2.83Å; T207-Q210 PolarHBondContact O-N 3.36Å; T207-I211 HydrophobicContact CG2-CD1 3.88Å; T207-I211 HydrophobicContact CG2-CG1 4.46Å; T207-I211 WeakPolarHBondContact O-CG1 3.18Å; T207-I211 PolarHBondContact O-N 2.91Å; T207-F231 HydrophobicContact CG2-CE1 3.88Å; T207-F231 HydrophobicContact CG2-CZ 4.17Å; T207-I239 VanDerWaalsContact OG1-CD1 3.23Å; T207-I239 WeakPolarHBondContact OG1-CD1 3.32Å; T207-I239 WeakPolarHBondContact OG1-CG1 3.2Å
208	C	98	Very high	96.7	Very high	14 Å²	14	55.9 Å²	55.9	10%	0.095	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-45.9	176.9	-65.5	0	0	0	0	111.6	A188 Y204 Q210 I211 Q212	A188-C208 HydrophobicContact CB-CB 3.95Å; Y204-C208 PolarHBondContact O-N 2.99Å; Y204-C208 PolarHBondContact O-SG 2.88Å; Y204-C208 VanDerWaalsContact O-SG 3.38Å; C208-Q210 PolarHBondContact O-N 2.96Å; C208-I211 PolarHBondContact O-N 3.28Å; C208-Q212 WeakPolarHBondContact O-CG 3.48Å; C208-Q212 PolarHBondContact O-N 3.31Å; C208-Q212 VanDerWaalsContact O-N 3.07Å
209	K	97.6	Very high	97	Very high	115 Å²	115	54.8 Å²	54.8	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-40.9	177.6	-72.9	169.1	-177.9	164.3	0	112.3	E205 Q206 T207 Q212 K213	E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.48Å; E205-K209 PolarHBondContact O-N 2.81Å; E205-K209 VanDerWaalsContact O-N 3.1Å; Q206-K209 PolarHBondContact O-N 2.86Å; T207-K209 VanDerWaalsContact C-N 3.31Å; T207-K209 PolarHBondContact O-N 2.83Å; K209-Q212 PolarHBondContact O-N 3.04Å; K209-K213 WeakPolarHBondContact O-CB 3.33Å; K209-K213 VanDerWaalsContact O-CG 3.25Å; K209-K213 WeakPolarHBondContact O-CG 3.35Å; K209-K213 PolarHBondContact O-N 2.93Å
210	Q	98.1	Very high	97.2	Very high	6 Å²	6	54 Å²	54	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-41.9	177.5	-70.6	-64.3	-38.1	0	0	111.5	I38 N39 Q206 T207 C208 Q212 K213 L214 F231 I239	I38-Q210 VanDerWaalsContact CA-OE1 3.32Å; N39-Q210 VanDerWaalsContact N-OE1 3.09Å; N39-Q210 PolarHBondContact ND2-NE2 3.48Å; N39-Q210 PolarHBondContact OD1-NE2 3.01Å; N39-Q210 VanDerWaalsContact OD1-NE2 3.09Å; Q206-Q210 VanDerWaalsContact O-CG 3.3Å; Q206-Q210 WeakPolarHBondContact O-CG 3.43Å; Q206-Q210 PolarHBondContact O-N 2.98Å; T207-Q210 PolarHBondContact O-N 3.36Å; C208-Q210 PolarHBondContact O-N 2.96Å; Q210-Q212 PolarHBondContact O-N 3.17Å; Q210-K213 PolarHBondContact O-N 3.29Å; Q210-L214 WeakPolarHBondContact O-CB 3.31Å; Q210-L214 VanDerWaalsContact O-CG 3.3Å; Q210-L214 WeakPolarHBondContact O-CG 3.46Å; Q210-L214 PolarHBondContact O-N 2.85Å; Q210-F231 HydrophobicContact CB-CE2 4.07Å; Q210-F231 HydrophobicContact CB-CZ 3.95Å; Q210-I239 HydrophobicContact CB-CG2 4.35Å; Q210-I239 HydrophobicContact CG-CB 4.33Å; Q210-I239 HydrophobicContact CG-CG2 3.94Å
211	I	98.2	Very high	97.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-48.3	174.8	-71.2	168.4	0	0	0	110.9	F138 M151 V183 A188 F191 L195 T207 C208 K213 L214 Y215 F231	F138-I211 HydrophobicContact CD2-CG1 4.34Å; F138-I211 HydrophobicContact CE2-CD1 4.32Å; F138-I211 HydrophobicContact CE2-CG1 3.91Å; F138-I211 HydrophobicContact CE2-CG2 4.06Å; F138-I211 HydrophobicContact CZ-CB 4.37Å; F138-I211 HydrophobicContact CZ-CG1 4.11Å; F138-I211 HydrophobicContact CZ-CG2 3.86Å; M151-I211 HydrophobicContact SD-CG2 3.73Å; V183-I211 HydrophobicContact CG1-CG2 4.13Å; A188-I211 HydrophobicContact CB-CG2 4.28Å; F191-I211 HydrophobicContact CB-CD1 3.73Å; L195-I211 HydrophobicContact CD1-CD1 4.34Å; T207-I211 HydrophobicContact CG2-CD1 3.88Å; T207-I211 HydrophobicContact CG2-CG1 4.46Å; T207-I211 WeakPolarHBondContact O-CG1 3.18Å; T207-I211 PolarHBondContact O-N 2.91Å; C208-I211 PolarHBondContact O-N 3.28Å; I211-K213 PolarHBondContact O-N 3.16Å; I211-L214 PolarHBondContact O-N 3.48Å; I211-Y215 PolarHBondContact O-N 3.41Å; I211-F231 HydrophobicContact CG1-CE1 4.44Å
212	Q	98.2	Very high	97.6	Very high	63 Å²	63	45.4 Å²	45.4	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-40.6	177.9	-71	175.4	-39.4	0	0	112.2	V183 A188 C208 K209 Q210 Y215 K216	V183-Q212 HydrophobicContact CG1-CG 4.17Å; A188-Q212 HydrophobicContact CB-CG 4.06Å; C208-Q212 WeakPolarHBondContact O-CG 3.48Å; C208-Q212 PolarHBondContact O-N 3.31Å; C208-Q212 VanDerWaalsContact O-N 3.07Å; K209-Q212 PolarHBondContact O-N 3.04Å; Q210-Q212 PolarHBondContact O-N 3.17Å; Q212-Y215 PolarHBondContact O-N 2.89Å; Q212-K216 WeakPolarHBondContact O-CB 3.38Å; Q212-K216 PolarHBondContact O-N 2.84Å
213	K	98.4	Very high	97.7	Very high	78 Å²	78	38.9 Å²	38.9	34%	0.339	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-40.9	175.1	-74	171.9	175.1	-176.4	0	112.5	G37 I38 K209 Q210 I211 Y215 K216 M217	G37-K213 VanDerWaalsContact O-CD 3.32Å; G37-K213 WeakPolarHBondContact O-CD 3.48Å; G37-K213 WeakPolarHBondContact O-CE 3.47Å; G37-K213 PolarHBondContact O-NZ 3.42Å; I38-K213 HydrophobicContact CG1-CB 3.93Å; K209-K213 WeakPolarHBondContact O-CB 3.33Å; K209-K213 VanDerWaalsContact O-CG 3.25Å; K209-K213 WeakPolarHBondContact O-CG 3.35Å; K209-K213 PolarHBondContact O-N 2.93Å; Q210-K213 PolarHBondContact O-N 3.29Å; I211-K213 PolarHBondContact O-N 3.16Å; K213-Y215 VanDerWaalsContact C-N 3.32Å; K213-Y215 PolarHBondContact O-N 3.06Å; K213-K216 PolarHBondContact O-N 3.35Å; K213-M217 WeakPolarHBondContact O-CB 3.09Å; K213-M217 PolarHBondContact O-N 2.73Å
214	L	98.5	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-43.1	175.6	-76.1	162.7	0	0	0	111.1	M33 I38 F138 I140 Q210 I211 M217 F218 V226 V228	M33-L214 HydrophobicContact CE-CD2 4.01Å; I38-L214 HydrophobicContact CD1-CD2 3.78Å; I38-L214 HydrophobicContact CD1-CG 4.22Å; I38-L214 HydrophobicContact CG1-CD2 4.32Å; I38-L214 HydrophobicContact CG1-CG 4.4Å; I38-L214 HydrophobicContact CG2-CD2 4.24Å; F138-L214 HydrophobicContact CD1-CD1 3.71Å; F138-L214 HydrophobicContact CE1-CB 4.13Å; F138-L214 HydrophobicContact CE1-CD1 3.67Å; I140-L214 HydrophobicContact CD1-CB 4.12Å; Q210-L214 WeakPolarHBondContact O-CB 3.31Å; Q210-L214 VanDerWaalsContact O-CG 3.3Å; Q210-L214 WeakPolarHBondContact O-CG 3.46Å; Q210-L214 PolarHBondContact O-N 2.85Å; I211-L214 PolarHBondContact O-N 3.48Å; L214-M217 HydrophobicContact CD2-CE 4.31Å; L214-M217 PolarHBondContact O-N 3.03Å; L214-F218 WeakPolarHBondContact O-CB 3.48Å; L214-F218 PolarHBondContact O-N 2.86Å; L214-V226 HydrophobicContact CD2-CG1 4.05Å; L214-V228 HydrophobicContact CD1-CG2 4.42Å; L214-V228 HydrophobicContact CD2-CG2 4Å
215	Y	98.5	Very high	97.7	Very high	18 Å²	18	40.7 Å²	40.7	7%	0.071	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-40.9	174.8	179.1	-103.1	0	0	0	113	I140 P149 I177 V183 I211 Q212 K213 M217 F218 T219	I140-Y215 HydrophobicContact CD1-CD2 4.35Å; I140-Y215 HydrophobicContact CG2-CD2 4.37Å; P149-Y215 HydrophobicContact CB-CE2 4.15Å; P149-Y215 HydrophobicContact CG-CE2 4.29Å; I177-Y215 HydrophobicContact CB-CE2 4.26Å; I177-Y215 HydrophobicContact CD1-CD2 3.49Å; I177-Y215 VanDerWaalsContact CD1-CD2 3.49Å; I177-Y215 HydrophobicContact CD1-CE2 3.55Å; I177-Y215 HydrophobicContact CD1-CG 4.42Å; I177-Y215 HydrophobicContact CG1-CE2 4.5Å; I177-Y215 HydrophobicContact CG2-CD2 4.42Å; I177-Y215 HydrophobicContact CG2-CE1 4.31Å; I177-Y215 HydrophobicContact CG2-CE2 3.74Å; V183-Y215 HydrophobicContact CB-CD1 4.28Å; V183-Y215 HydrophobicContact CB-CG 4.29Å; V183-Y215 HydrophobicContact CG2-CD1 3.84Å; V183-Y215 HydrophobicContact CG2-CD2 3.86Å; V183-Y215 HydrophobicContact CG2-CG 3.44Å; V183-Y215 VanDerWaalsContact CG2-CG 3.44Å; I211-Y215 PolarHBondContact O-N 3.41Å; Q212-Y215 PolarHBondContact O-N 2.89Å; K213-Y215 VanDerWaalsContact C-N 3.32Å; K213-Y215 PolarHBondContact O-N 3.06Å; Y215-M217 VanDerWaalsContact C-N 3.29Å; Y215-M217 PolarHBondContact O-N 3.1Å; Y215-F218 HydrophobicContact CE2-CD1 4.47Å; Y215-F218 WeakPolarHBondContact O-CB 3.48Å; Y215-F218 PolarHBondContact O-N 3.26Å; Y215-T219 HydrophobicContact CD1-CG2 4.49Å; Y215-T219 HydrophobicContact CD2-CG2 4.43Å; Y215-T219 HydrophobicContact CE1-CG2 3.89Å; Y215-T219 HydrophobicContact CE2-CG2 3.83Å; Y215-T219 PolarHBondContact O-N 3.38Å; Y215-T219 PolarHBondContact O-OG1 3.47Å
216	K	98.2	Very high	97.7	Very high	151 Å²	151	35.4 Å²	35.4	66%	0.657	18%	0.178	S	C	*	.	H	α-helix	trans	-60.5	-40.6	174.9	-173	177.8	179.1	-179.7	0	111.4	Q212 K213 T219 A220	Q212-K216 WeakPolarHBondContact O-CB 3.38Å; Q212-K216 PolarHBondContact O-N 2.84Å; K213-K216 PolarHBondContact O-N 3.35Å; K216-T219 PolarHBondContact O-OG1 2.8Å; K216-A220 WeakPolarHBondContact O-CB 3.4Å; K216-A220 PolarHBondContact O-N 3.34Å
217	M	98.3	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-46.3	173.6	-178	-170.3	72	0	0	111.6	M33 H36 I38 K213 L214 Y215 T219 A220 L221 V226 L246	M33-M217 HydrophobicContact CB-SD 4.29Å; M33-M217 HydrophobicContact CG-CE 3.92Å; M33-M217 HydrophobicContact CG-SD 3.65Å; H36-M217 HydrophobicContact CB-CB 3.98Å; H36-M217 HydrophobicContact CB-CG 4.07Å; H36-M217 HydrophobicContact CB-SD 4.4Å; I38-M217 HydrophobicContact CD1-CB 3.98Å; I38-M217 HydrophobicContact CD1-CE 3.95Å; I38-M217 HydrophobicContact CD1-CG 4.33Å; I38-M217 HydrophobicContact CD1-SD 3.5Å; I38-M217 VanDerWaalsContact CD1-SD 3.5Å; K213-M217 WeakPolarHBondContact O-CB 3.09Å; K213-M217 PolarHBondContact O-N 2.73Å; L214-M217 HydrophobicContact CD2-CE 4.31Å; L214-M217 PolarHBondContact O-N 3.03Å; Y215-M217 VanDerWaalsContact C-N 3.29Å; Y215-M217 PolarHBondContact O-N 3.1Å; M217-T219 VanDerWaalsContact C-N 3.25Å; M217-T219 PolarHBondContact O-N 3.2Å; M217-A220 PolarHBondContact O-N 3.33Å; M217-L221 HydrophobicContact CG-CD1 3.61Å; M217-L221 HydrophobicContact CG-CG 4.24Å; M217-L221 WeakPolarHBondContact O-CB 3.41Å; M217-L221 PolarHBondContact O-N 2.91Å; M217-L221 HydrophobicContact SD-CD1 4.31Å; M217-V226 HydrophobicContact CE-CG1 4.09Å; M217-V226 HydrophobicContact CE-CG2 4.01Å; M217-L246 HydrophobicContact CE-CD1 4.02Å; M217-L246 HydrophobicContact CE-CD2 3.81Å; M217-L246 HydrophobicContact SD-CD1 4.38Å
218	F	98.3	Very high	97.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-51.6	-46.6	177.8	173.8	-83.7	0	0	0	111.5	I140 M142 P149 L214 Y215 D222 C223 V226	I140-F218 HydrophobicContact CB-CD2 3.85Å; I140-F218 HydrophobicContact CB-CE2 4.22Å; I140-F218 HydrophobicContact CB-CG 4.35Å; I140-F218 HydrophobicContact CD1-CB 4.46Å; I140-F218 HydrophobicContact CG2-CB 4.48Å; I140-F218 HydrophobicContact CG2-CD1 4.11Å; I140-F218 HydrophobicContact CG2-CD2 3.61Å; I140-F218 HydrophobicContact CG2-CE1 4.24Å; I140-F218 HydrophobicContact CG2-CE2 3.77Å; I140-F218 HydrophobicContact CG2-CG 3.82Å; I140-F218 HydrophobicContact CG2-CZ 4.07Å; I140-F218 WeakPolarHBondContact O-CE2 3.3Å; M142-F218 HydrophobicContact CG-CZ 3.86Å; M142-F218 HydrophobicContact SD-CE1 3.86Å; M142-F218 HydrophobicContact SD-CZ 3.7Å; P149-F218 HydrophobicContact CB-CE1 3.97Å; P149-F218 HydrophobicContact CB-CZ 4.35Å; P149-F218 HydrophobicContact CG-CE1 4.09Å; L214-F218 WeakPolarHBondContact O-CB 3.48Å; L214-F218 PolarHBondContact O-N 2.86Å; Y215-F218 HydrophobicContact CE2-CD1 4.47Å; Y215-F218 WeakPolarHBondContact O-CB 3.48Å; Y215-F218 PolarHBondContact O-N 3.26Å; F218-D222 PolarHBondContact O-N 3.4Å; F218-C223 HydrophobicContact CB-CB 4.34Å; F218-C223 HydrophobicContact CD2-CB 3.57Å; F218-C223 HydrophobicContact CE2-CB 4.01Å; F218-C223 WeakPolarHBondContact CE2-O 3.17Å; F218-C223 HydrophobicContact CG-CB 4Å; F218-C223 WeakPolarHBondContact CZ-O 3.4Å; F218-C223 WeakPolarHBondContact O-CB 3.34Å; F218-C223 PolarHBondContact O-N 3.06Å; F218-V226 HydrophobicContact CB-CG2 4.06Å; F218-V226 HydrophobicContact CD2-CB 4.26Å; F218-V226 HydrophobicContact CD2-CG2 3.72Å; F218-V226 HydrophobicContact CG-CG2 4.39Å
219	T	97.8	Very high	97.5	Very high	65 Å²	65	37 Å²	37	40%	0.399	19%	0.185	S	C	.	.	H	α-helix	trans	-75.4	-41.3	178.9	49.8	0	0	0	0	112.9	Y215 K216 M217 L221 D222	Y215-T219 HydrophobicContact CD1-CG2 4.49Å; Y215-T219 HydrophobicContact CD2-CG2 4.43Å; Y215-T219 HydrophobicContact CE1-CG2 3.89Å; Y215-T219 HydrophobicContact CE2-CG2 3.83Å; Y215-T219 PolarHBondContact O-N 3.38Å; Y215-T219 PolarHBondContact O-OG1 3.47Å; K216-T219 PolarHBondContact O-OG1 2.8Å; M217-T219 VanDerWaalsContact C-N 3.25Å; M217-T219 PolarHBondContact O-N 3.2Å; T219-L221 VanDerWaalsContact C-N 3.31Å; T219-L221 PolarHBondContact O-N 2.97Å; T219-D222 PolarHBondContact O-N 2.96Å
220	A	97.9	Very high	97.3	Very high	49 Å²	49	32.3 Å²	32.3	41%	0.405	17%	0.166	S	C	.	.	H	α-helix	trans	-64.7	-33.3	-179	0	0	0	0	0	113.4	K216 M217 Q256	K216-A220 WeakPolarHBondContact O-CB 3.4Å; K216-A220 PolarHBondContact O-N 3.34Å; M217-A220 PolarHBondContact O-N 3.33Å; A220-Q256 PolarHBondContact O-NE2 2.68Å
221	L	97.7	Very high	97.2	Very high	14 Å²	14	32 Å²	32	7%	0.073	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.1	-177	-62.5	-179.9	0	0	0	114	L32 M217 T219 C223 F248 Q256 V259	L32-L221 HydrophobicContact CB-CD1 4.06Å; L32-L221 HydrophobicContact CD1-CD1 4.21Å; L32-L221 HydrophobicContact CD2-CD1 4.29Å; L32-L221 HydrophobicContact CG-CD1 4.42Å; M217-L221 HydrophobicContact CG-CD1 3.61Å; M217-L221 HydrophobicContact CG-CG 4.24Å; M217-L221 WeakPolarHBondContact O-CB 3.41Å; M217-L221 PolarHBondContact O-N 2.91Å; M217-L221 HydrophobicContact SD-CD1 4.31Å; T219-L221 VanDerWaalsContact C-N 3.31Å; T219-L221 PolarHBondContact O-N 2.97Å; L221-C223 VanDerWaalsContact C-N 3.26Å; L221-C223 PolarHBondContact O-N 2.84Å; L221-F248 HydrophobicContact CB-CD1 4.15Å; L221-F248 HydrophobicContact CB-CE1 3.87Å; L221-F248 HydrophobicContact CD1-CE1 4.12Å; L221-F248 WeakPolarHBondContact O-CD1 3.41Å; L221-Q256 VanDerWaalsContact C-NE2 3.32Å; L221-V259 HydrophobicContact CD2-CG2 4.27Å
222	D	97.5	Very high	96.9	Very high	31 Å²	31	32 Å²	32	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	43	-173.8	-70.5	-70.7	0	0	0	112.7	F218 T219 D249 A252 R255 Q256	F218-D222 PolarHBondContact O-N 3.4Å; T219-D222 PolarHBondContact O-N 2.96Å; D222-D249 PolarHBondContact O-N 3.22Å; D222-A252 HydrophobicContact CB-CB 3.4Å; D222-A252 VanDerWaalsContact CB-CB 3.4Å; D222-A252 WeakPolarHBondContact OD2-CB 3.23Å; D222-R255 IonicContact OD1-CZ 2.54Å; D222-R255 IonicContact OD1-NE 2.86Å; D222-R255 IonicContact OD1-NH2 2.76Å; D222-R255 PolarHBondContact OD1-NH2 2.82Å; D222-R255 IonicContact OD2-CZ 3.76Å; D222-R255 IonicContact OD2-NE 3.66Å; D222-R255 PolarHBondContact OD2-NE 2.75Å; D222-R255 IonicContact OD2-NH2 3.53Å; D222-R255 PolarHBondContact OD2-NH2 3.33Å; D222-Q256 HydrophobicContact CB-CG 4.32Å; D222-Q256 PolarHBondContact OD2-NE2 3.04Å
223	C	97.1	Very high	96.8	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.034	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	142.5	173.9	-62.8	0	0	0	0	110.4	F218 L221 V226 A247 F248	F218-C223 HydrophobicContact CB-CB 4.34Å; F218-C223 HydrophobicContact CD2-CB 3.57Å; F218-C223 HydrophobicContact CE2-CB 4.01Å; F218-C223 WeakPolarHBondContact CE2-O 3.17Å; F218-C223 HydrophobicContact CG-CB 4Å; F218-C223 WeakPolarHBondContact CZ-O 3.4Å; F218-C223 WeakPolarHBondContact O-CB 3.34Å; F218-C223 PolarHBondContact O-N 3.06Å; L221-C223 VanDerWaalsContact C-N 3.26Å; L221-C223 PolarHBondContact O-N 2.84Å; C223-V226 HydrophobicContact CB-CG2 3.86Å; C223-A247 CarbonylContact C-O 3.55Å; C223-A247 VanDerWaalsContact CA-O 3.31Å; C223-A247 WeakPolarHBondContact CA-O 3.37Å; C223-F248 VanDerWaalsContact SG-CE1 3.54Å
224	V	96.2	Very high	96.5	Very high	39 Å²	39	26 Å²	26	24%	0.236	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-22.2	165.4	-64	0	0	0	0	111.9	L141 M142 A247 D249	L141-V224 WeakPolarHBondContact CA-O 3.02Å; M142-V224 PolarHBondContact N-O 3.4Å; V224-A247 HydrophobicContact CG2-CB 3.86Å; V224-A247 WeakPolarHBondContact CG2-O 3.27Å; V224-A247 PolarHBondContact N-O 2.95Å; V224-D249 HydrophobicContact CG1-CB 3.79Å
225	Q	96.6	Very high	96.2	Very high	63 Å²	63	32.7 Å²	32.7	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	136.9	173.2	-179.1	172	-46.6	0	0	110.2	I140 L141 E227 L246 A247	I140-Q225 CarbonylContact O-C 3.53Å; I140-Q225 WeakPolarHBondContact O-CA 3.15Å; L141-Q225 HydrophobicContact CB-CB 4.42Å; L141-Q225 HydrophobicContact CB-CG 4.4Å; Q225-E227 PolarHBondContact NE2-OE2 2.97Å; Q225-E227 VanDerWaalsContact NE2-OE2 3.13Å; Q225-L246 WeakPolarHBondContact O-CA 3.21Å; Q225-A247 HydrophobicContact CB-CB 4.13Å; Q225-A247 PolarHBondContact N-O 3.35Å; Q225-A247 PolarHBondContact O-N 3.25Å
226	V	97.3	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.2	164.5	170	0	0	0	0	105.8	A139 I140 L214 M217 F218 C223 V228 L246	A139-V226 CarbonylContact C-O 3.56Å; A139-V226 WeakPolarHBondContact CA-O 3.27Å; A139-V226 WeakPolarHBondContact CB-O 3.4Å; I140-V226 HydrophobicContact CB-CB 4.48Å; I140-V226 PolarHBondContact N-O 3.08Å; I140-V226 PolarHBondContact O-N 2.99Å; L214-V226 HydrophobicContact CD2-CG1 4.05Å; M217-V226 HydrophobicContact CE-CG1 4.09Å; M217-V226 HydrophobicContact CE-CG2 4.01Å; F218-V226 HydrophobicContact CB-CG2 4.06Å; F218-V226 HydrophobicContact CD2-CB 4.26Å; F218-V226 HydrophobicContact CD2-CG2 3.72Å; F218-V226 HydrophobicContact CG-CG2 4.39Å; C223-V226 HydrophobicContact CB-CG2 3.86Å; V226-V228 HydrophobicContact CG1-CG2 4.35Å; V226-L246 HydrophobicContact CB-CD2 4.07Å; V226-L246 HydrophobicContact CG1-CD2 3.71Å; V226-L246 HydrophobicContact CG2-CD2 3.81Å
227	E	96.2	Very high	95.4	Very high	45 Å²	45	31.6 Å²	31.6	21%	0.21	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128	177.5	-178	-173.9	127.6	0	0	108.7	Y137 A139 Q225 A244 K245	Y137-E227 HydrophobicContact CE2-CG 3.73Å; A139-E227 HydrophobicContact CB-CB 4.44Å; Q225-E227 PolarHBondContact NE2-OE2 2.97Å; Q225-E227 VanDerWaalsContact NE2-OE2 3.13Å; E227-A244 CarbonylContact O-C 3.58Å; E227-A244 WeakPolarHBondContact O-CA 3.43Å; E227-K245 HydrophobicContact CB-CB 4.43Å; E227-K245 PolarHBondContact N-O 2.68Å; E227-K245 PolarHBondContact O-N 3.4Å
228	V	96.3	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112	177.3	-174	0	0	0	0	108.4	M33 F138 L214 V226 F231 C241 D243 A244	M33-V228 HydrophobicContact CE-CG2 4.13Å; F138-V228 PolarHBondContact N-O 3Å; F138-V228 VanDerWaalsContact N-O 3.15Å; F138-V228 PolarHBondContact O-N 2.87Å; L214-V228 HydrophobicContact CD1-CG2 4.42Å; L214-V228 HydrophobicContact CD2-CG2 4Å; V226-V228 HydrophobicContact CG1-CG2 4.35Å; V228-F231 HydrophobicContact CB-CB 4.15Å; V228-F231 HydrophobicContact CG1-CB 3.69Å; V228-F231 HydrophobicContact CG1-CD2 4.21Å; V228-F231 HydrophobicContact CG1-CG 4.38Å; V228-C241 HydrophobicContact CG1-CB 3.56Å; V228-D243 WeakPolarHBondContact CA-O 3.45Å; V228-D243 WeakPolarHBondContact CG1-O 3.43Å; V228-A244 HydrophobicContact CG2-CB 4.36Å
229	N	93.6	Very high	95.1	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	99.3	-175	-170.2	11.8	0	0	0	112	Y137 G158 M159 D243	Y137-N229 HydrophobicContact CD2-CB 3.87Å; Y137-N229 HydrophobicContact CE2-CB 4.28Å; G158-N229 PolarHBondContact N-OD1 3.09Å; M159-N229 PolarHBondContact O-ND2 2.94Å; N229-D243 PolarHBondContact N-O 3.47Å; N229-D243 VanDerWaalsContact N-O 3.08Å; N229-D243 WeakPolarHBondContact O-CB 3.36Å
230	P	93.8	Very high	95.1	Very high	15 Å²	15	32.4 Å²	32.4	10%	0.097	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-86.3	141.3	6.9	29.8	-28.7	0	0	0	113.3	I132 E135 T136 F242	I132-P230 HydrophobicContact CD1-CG 4.48Å; E135-P230 HydrophobicContact CB-CB 3.75Å; E135-P230 HydrophobicContact CG-CB 3.75Å; E135-P230 HydrophobicContact CG-CG 4.04Å; T136-P230 WeakPolarHBondContact O-CA 3Å; P230-F242 HydrophobicContact CG-CB 3.82Å; P230-F242 HydrophobicContact CG-CD2 4.13Å; P230-F242 HydrophobicContact CG-CG 4.17Å; P230-F242 WeakPolarHBondContact O-CD2 3.37Å; P230-F242 PolarHBondContact O-N 2.88Å; P230-F242 VanDerWaalsContact O-N 3.08Å
231	F	96	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.1	154.5	-179.8	-129.3	0	0	0	106.6	T136 F138 L195 T207 Q210 I211 V228 I239	T136-F231 CarbonylContact C-O 3.58Å; T136-F231 WeakPolarHBondContact CA-O 3.49Å; T136-F231 WeakPolarHBondContact CB-O 3.5Å; T136-F231 PolarHBondContact N-O 2.85Å; T136-F231 PolarHBondContact O-N 3.22Å; T136-F231 PolarHBondContact OG1-O 3.41Å; F138-F231 HydrophobicContact CB-CB 4.08Å; F138-F231 HydrophobicContact CB-CD1 3.89Å; F138-F231 HydrophobicContact CB-CG 4.2Å; L195-F231 HydrophobicContact CD1-CD1 4.02Å; L195-F231 HydrophobicContact CD1-CE1 3.93Å; T207-F231 HydrophobicContact CG2-CE1 3.88Å; T207-F231 HydrophobicContact CG2-CZ 4.17Å; Q210-F231 HydrophobicContact CB-CE2 4.07Å; Q210-F231 HydrophobicContact CB-CZ 3.95Å; I211-F231 HydrophobicContact CG1-CE1 4.44Å; V228-F231 HydrophobicContact CB-CB 4.15Å; V228-F231 HydrophobicContact CG1-CB 3.69Å; V228-F231 HydrophobicContact CG1-CD2 4.21Å; V228-F231 HydrophobicContact CG1-CG 4.38Å; F231-I239 HydrophobicContact CD2-CG2 4.19Å; F231-I239 HydrophobicContact CE1-CG2 4.47Å; F231-I239 HydrophobicContact CE2-CG2 3.3Å; F231-I239 HydrophobicContact CZ-CG2 3.48Å; F231-I239 VanDerWaalsContact CZ-CG2 3.48Å
232	G	93.5	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	176.6	-165.3	0	0	0	0	0	114.6	R134 I239 V240	R134-G232 WeakPolarHBondContact O-CA 3.41Å; G232-I239 WeakPolarHBondContact O-CA 3.48Å; G232-V240 PolarHBondContact N-O 2.82Å; G232-V240 PolarHBondContact O-N 2.98Å
233	E	94.3	Very high	94.5	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.4	177.9	83.3	-158.2	155.2	0	0	110.5	H133 R134 F197 L203 Q238 I239	H133-E233 HydrophobicContact CB-CG 3.82Å; H133-E233 IonicContact CD2-OE1 3.1Å; H133-E233 PolarHBondContact CD2-OE1 2.82Å; H133-E233 IonicContact CG-OE1 3.63Å; H133-E233 PolarHBondContact N-O 3.5Å; H133-E233 IonicContact NE2-OE1 2.66Å; R134-E233 HydrophobicContact CB-CG 3.89Å; R134-E233 WeakPolarHBondContact CB-OE1 3.14Å; R134-E233 IonicContact CZ-OE1 3.4Å; R134-E233 IonicContact CZ-OE2 3.73Å; R134-E233 PolarHBondContact N-O 3.13Å; R134-E233 IonicContact NE-OE1 3.34Å; R134-E233 PolarHBondContact NE-OE1 3.34Å; R134-E233 VanDerWaalsContact NE-OE1 3.07Å; R134-E233 IonicContact NE-OE2 3.36Å; R134-E233 IonicContact NH2-OE1 2.62Å; R134-E233 PolarHBondContact NH2-OE1 3.38Å; R134-E233 IonicContact NH2-OE2 3.58Å; R134-E233 PolarHBondContact NH2-OE2 3.46Å; R134-E233 PolarHBondContact O-N 3.43Å; R134-E233 VanDerWaalsContact O-N 3.08Å; F197-E233 HydrophobicContact CE1-CB 4.09Å; F197-E233 WeakPolarHBondContact CE1-OE2 3.36Å; L203-E233 HydrophobicContact CD2-CB 4.25Å; E233-Q238 CarbonylContact C-O 3.55Å; E233-Q238 VanDerWaalsContact CA-O 3.29Å; E233-Q238 WeakPolarHBondContact CA-O 3.31Å; E233-I239 HydrophobicContact CB-CD1 4.02Å
234	T	93.6	Very high	94.3	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.025	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	157.8	174.6	60.7	0	0	0	0	110.8	L130 D131 D236 G237 Q238 V240 F242	L130-T234 HydrophobicContact CB-CG2 3.79Å; L130-T234 HydrophobicContact CD1-CG2 3.99Å; L130-T234 HydrophobicContact CG-CG2 4.47Å; D131-T234 CarbonylContact O-C 3.53Å; D131-T234 VanDerWaalsContact O-CA 3.27Å; D131-T234 WeakPolarHBondContact O-CA 3.4Å; T234-D236 WeakPolarHBondContact CB-OD1 3.48Å; T234-D236 PolarHBondContact O-N 3.09Å; T234-D236 PolarHBondContact OG1-OD1 3.31Å; T234-G237 PolarHBondContact O-N 3.13Å; T234-Q238 PolarHBondContact N-O 3.35Å; T234-Q238 WeakPolarHBondContact OG1-CB 3.23Å; T234-Q238 PolarHBondContact OG1-N 3.43Å; T234-Q238 PolarHBondContact OG1-O 3Å; T234-V240 HydrophobicContact CG2-CG2 3.78Å; T234-F242 HydrophobicContact CG2-CE1 4.43Å; T234-F242 HydrophobicContact CG2-CZ 3.88Å
235	K	90.7	Very high	94.1	Very high	140 Å²	140	32.3 Å²	32.3	61%	0.609	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.9	177.3	-69.7	-177.7	-167.4	151.1	0	114	D131 H133 G237	D131-K235 HydrophobicContact CB-CB 4.19Å; D131-K235 HydrophobicContact CB-CD 3.79Å; D131-K235 HydrophobicContact CB-CG 3.96Å; D131-K235 PolarHBondContact O-N 3.17Å; D131-K235 IonicContact OD1-NZ 2.98Å; D131-K235 PolarHBondContact OD1-NZ 3.29Å; H133-K235 HydrophobicContact CB-CG 4.17Å; K235-G237 VanDerWaalsContact C-N 3.31Å
236	D	89.5	Confident	94	Very high	121 Å²	121	29.3 Å²	29.3	65%	0.647	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	9.6	176.2	66	-36.1	0	0	0	113.7	T234	T234-D236 WeakPolarHBondContact CB-OD1 3.48Å; T234-D236 PolarHBondContact O-N 3.09Å; T234-D236 PolarHBondContact OG1-OD1 3.31Å
237	G	92	Very high	93.8	Very high	24 Å²	24	29.8 Å²	29.8	25%	0.247	15%	0.153	C	C	.	.	S	Bend	trans	83.3	35.4	169.3	0	0	0	0	0	114.6	L203 T234 K235	L203-G237 VanDerWaalsContact CD2-C 3.46Å; L203-G237 WeakPolarHBondContact CD2-O 3.3Å; T234-G237 PolarHBondContact O-N 3.13Å; K235-G237 VanDerWaalsContact C-N 3.31Å
238	Q	93.3	Very high	93.8	Very high	80 Å²	80	27.8 Å²	27.8	37%	0.374	14%	0.143	S	C	.	.			trans	-113.2	141	173.7	-58.4	-65	-38.9	0	0	111.5	E233 T234 V240	E233-Q238 CarbonylContact C-O 3.55Å; E233-Q238 VanDerWaalsContact CA-O 3.29Å; E233-Q238 WeakPolarHBondContact CA-O 3.31Å; T234-Q238 PolarHBondContact N-O 3.35Å; T234-Q238 WeakPolarHBondContact OG1-CB 3.23Å; T234-Q238 PolarHBondContact OG1-N 3.43Å; T234-Q238 PolarHBondContact OG1-O 3Å; Q238-V240 HydrophobicContact CB-CG2 4.22Å
239	I	96.4	Very high	93.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.4	166.4	-57	-58.2	0	0	0	109.7	N39 F197 L203 Q206 T207 Q210 F231 G232 E233	N39-I239 WeakPolarHBondContact CB-O 3.27Å; N39-I239 PolarHBondContact ND2-O 2.95Å; F197-I239 HydrophobicContact CD1-CD1 4Å; F197-I239 HydrophobicContact CE1-CD1 3.17Å; F197-I239 HydrophobicContact CZ-CD1 3.61Å; L203-I239 HydrophobicContact CB-CD1 4.39Å; L203-I239 HydrophobicContact CD2-CD1 3.64Å; L203-I239 HydrophobicContact CD2-CG1 4.09Å; Q206-I239 HydrophobicContact CB-CB 4.31Å; Q206-I239 HydrophobicContact CB-CG1 3.65Å; T207-I239 VanDerWaalsContact OG1-CD1 3.23Å; T207-I239 WeakPolarHBondContact OG1-CD1 3.32Å; T207-I239 WeakPolarHBondContact OG1-CG1 3.2Å; Q210-I239 HydrophobicContact CB-CG2 4.35Å; Q210-I239 HydrophobicContact CG-CB 4.33Å; Q210-I239 HydrophobicContact CG-CG2 3.94Å; F231-I239 HydrophobicContact CD2-CG2 4.19Å; F231-I239 HydrophobicContact CE1-CG2 4.47Å; F231-I239 HydrophobicContact CE2-CG2 3.3Å; F231-I239 HydrophobicContact CZ-CG2 3.48Å; F231-I239 VanDerWaalsContact CZ-CG2 3.48Å; G232-I239 WeakPolarHBondContact O-CA 3.48Å; E233-I239 HydrophobicContact CB-CD1 4.02Å
240	V	96.9	Very high	93.6	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.048	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.4	-175.9	-174.9	0	0	0	0	111.2	Q41 L130 G232 T234 Q238 F242	Q41-V240 HydrophobicContact CG-CG1 4.27Å; L130-V240 HydrophobicContact CD1-CG1 4.13Å; L130-V240 HydrophobicContact CD1-CG2 3.98Å; G232-V240 PolarHBondContact N-O 2.82Å; G232-V240 PolarHBondContact O-N 2.98Å; T234-V240 HydrophobicContact CG2-CG2 3.78Å; Q238-V240 HydrophobicContact CB-CG2 4.22Å; V240-F242 HydrophobicContact CB-CD2 4.24Å; V240-F242 HydrophobicContact CB-CE1 4.44Å; V240-F242 HydrophobicContact CB-CE2 3.86Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD1 4.4Å; V240-F242 HydrophobicContact CG1-CD2 4.43Å; V240-F242 HydrophobicContact CG1-CE1 4.44Å; V240-F242 HydrophobicContact CG1-CE2 4.43Å; V240-F242 HydrophobicContact CG1-CG 4.41Å; V240-F242 HydrophobicContact CG1-CZ 4.45Å; V240-F242 VanDerWaalsContact O-CD2 3.3Å; V240-F242 WeakPolarHBondContact O-CD2 3.32Å
241	C	96.8	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	98.3	164.6	-60.3	0	0	0	0	108.8	M33 I38 N39 V40 V228	M33-C241 HydrophobicContact CE-CB 3.35Å; M33-C241 VanDerWaalsContact CE-SG 3.58Å; I38-C241 HydrophobicContact CG2-CB 4.27Å; I38-C241 WeakPolarHBondContact CG2-SG 3.3Å; N39-C241 PolarHBondContact O-N 2.87Å; V40-C241 HydrophobicContact CG1-CB 4.23Å; V228-C241 HydrophobicContact CG1-CB 3.56Å
242	F	92.8	Very high	93.5	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.031	17%	0.172	C	C	.	.			trans	-77.3	-34.9	-172.1	-69	-91.6	0	0	0	113.3	K30 Q41 K67 L130 I132 P230 T234 V240	K30-F242 VanDerWaalsContact CE-O 3.28Å; K30-F242 WeakPolarHBondContact CE-O 3.32Å; K30-F242 PolarHBondContact NZ-O 2.76Å; Q41-F242 HydrophobicContact CG-CD1 4.41Å; Q41-F242 PolarHBondContact OE1-O 3.17Å; Q41-F242 VanDerWaalsContact OE1-O 3.12Å; K67-F242 PolarHBondContact NZ-O 3.14Å; L130-F242 HydrophobicContact CB-CE1 3.96Å; I132-F242 HydrophobicContact CB-CZ 4.37Å; I132-F242 HydrophobicContact CD1-CD1 3.86Å; I132-F242 HydrophobicContact CD1-CE1 3.79Å; I132-F242 HydrophobicContact CD1-CG 4.23Å; I132-F242 HydrophobicContact CD1-CZ 4.16Å; I132-F242 HydrophobicContact CG1-CD1 4.14Å; I132-F242 HydrophobicContact CG1-CE1 3.55Å; I132-F242 HydrophobicContact CG1-CE2 4.48Å; I132-F242 HydrophobicContact CG1-CZ 3.76Å; I132-F242 HydrophobicContact CG2-CE2 4.31Å; I132-F242 HydrophobicContact CG2-CZ 4.15Å; P230-F242 HydrophobicContact CG-CB 3.82Å; P230-F242 HydrophobicContact CG-CD2 4.13Å; P230-F242 HydrophobicContact CG-CG 4.17Å; P230-F242 WeakPolarHBondContact O-CD2 3.37Å; P230-F242 PolarHBondContact O-N 2.88Å; P230-F242 VanDerWaalsContact O-N 3.08Å; T234-F242 HydrophobicContact CG2-CE1 4.43Å; T234-F242 HydrophobicContact CG2-CZ 3.88Å; V240-F242 HydrophobicContact CB-CD2 4.24Å; V240-F242 HydrophobicContact CB-CE1 4.44Å; V240-F242 HydrophobicContact CB-CE2 3.86Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD1 4.4Å; V240-F242 HydrophobicContact CG1-CD2 4.43Å; V240-F242 HydrophobicContact CG1-CE1 4.44Å; V240-F242 HydrophobicContact CG1-CE2 4.43Å; V240-F242 HydrophobicContact CG1-CG 4.41Å; V240-F242 HydrophobicContact CG1-CZ 4.45Å; V240-F242 VanDerWaalsContact O-CD2 3.3Å; V240-F242 WeakPolarHBondContact O-CD2 3.32Å
243	D	91.6	Very high	93.4	Very high	38 Å²	38	34.9 Å²	34.9	20%	0.203	18%	0.179	C	C	.	.	S	Bend	trans	-144	144.5	173.8	-155	-21.9	0	0	0	108.4	E26 K67 R75 V228 N229	E26-D243 WeakPolarHBondContact CG-OD1 3.25Å; K67-D243 IonicContact NZ-OD2 3.4Å; K67-D243 PolarHBondContact NZ-OD2 2.95Å; R75-D243 IonicContact NH2-OD1 3.33Å; R75-D243 IonicContact NH2-OD2 2.69Å; R75-D243 PolarHBondContact NH2-OD2 2.86Å; V228-D243 WeakPolarHBondContact CA-O 3.45Å; V228-D243 WeakPolarHBondContact CG1-O 3.43Å; N229-D243 PolarHBondContact N-O 3.47Å; N229-D243 VanDerWaalsContact N-O 3.08Å; N229-D243 WeakPolarHBondContact O-CB 3.36Å
244	A	92.4	Very high	93.4	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.8	-177.4	0	0	0	0	0	112.1	M33 E227 V228	M33-A244 HydrophobicContact CE-CB 3.81Å; M33-A244 HydrophobicContact SD-CB 3.32Å; M33-A244 WeakPolarHBondContact SD-CB 3.32Å; E227-A244 CarbonylContact O-C 3.58Å; E227-A244 WeakPolarHBondContact O-CA 3.43Å; V228-A244 HydrophobicContact CG2-CB 4.36Å
245	K	91.9	Very high	93.6	Very high	86 Å²	86	48.8 Å²	48.8	37%	0.374	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.9	172.5	-172.5	174.4	-177.4	176.8	0	108.9	E227	E227-K245 HydrophobicContact CB-CB 4.43Å; E227-K245 PolarHBondContact N-O 2.68Å; E227-K245 PolarHBondContact O-N 3.4Å
246	L	95	Very high	93.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133	176.8	-44.7	-179.3	0	0	0	108.6	C29 L32 M33 M217 Q225 V226 F248	C29-L246 HydrophobicContact CB-CD1 3.88Å; C29-L246 HydrophobicContact CB-CG 3.79Å; L32-L246 HydrophobicContact CB-CD1 4.45Å; L32-L246 HydrophobicContact CD1-CD1 4.48Å; M33-L246 HydrophobicContact CG-CD1 4.4Å; M217-L246 HydrophobicContact CE-CD1 4.02Å; M217-L246 HydrophobicContact CE-CD2 3.81Å; M217-L246 HydrophobicContact SD-CD1 4.38Å; Q225-L246 WeakPolarHBondContact O-CA 3.21Å; V226-L246 HydrophobicContact CB-CD2 4.07Å; V226-L246 HydrophobicContact CG1-CD2 3.71Å; V226-L246 HydrophobicContact CG2-CD2 3.81Å; L246-F248 HydrophobicContact CB-CE1 4.4Å; L246-F248 HydrophobicContact CB-CE2 3.71Å; L246-F248 HydrophobicContact CB-CZ 3.56Å; L246-F248 HydrophobicContact CD1-CZ 3.95Å; L246-F248 HydrophobicContact CG-CZ 4.41Å
247	A	94	Very high	94.3	Very high	9 Å²	9	42.4 Å²	42.4	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137	171.1	0	0	0	0	0	109.4	I22 C223 V224 Q225	I22-A247 VanDerWaalsContact O-CA 3.3Å; I22-A247 WeakPolarHBondContact O-CA 3.4Å; C223-A247 CarbonylContact C-O 3.55Å; C223-A247 VanDerWaalsContact CA-O 3.31Å; C223-A247 WeakPolarHBondContact CA-O 3.37Å; V224-A247 HydrophobicContact CG2-CB 3.86Å; V224-A247 WeakPolarHBondContact CG2-O 3.27Å; V224-A247 PolarHBondContact N-O 2.95Å; Q225-A247 HydrophobicContact CB-CB 4.13Å; Q225-A247 PolarHBondContact N-O 3.35Å; Q225-A247 PolarHBondContact O-N 3.25Å
248	F	96.3	Very high	94.5	Very high	3 Å²	3	45 Å²	45	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.6	-171.8	-49.6	-97	0	0	0	112.1	S21 I22 L24 L32 L221 C223 L246 Q250 V259	S21-F248 WeakPolarHBondContact CA-O 3.33Å; I22-F248 HydrophobicContact CB-CB 4.2Å; I22-F248 HydrophobicContact CB-CD2 4.3Å; I22-F248 HydrophobicContact CG2-CD2 4.27Å; I22-F248 PolarHBondContact N-O 3.26Å; I22-F248 VanDerWaalsContact N-O 3.14Å; I22-F248 WeakPolarHBondContact O-CD2 3.05Å; I22-F248 PolarHBondContact O-N 2.99Å; L24-F248 HydrophobicContact CB-CE2 4.28Å; L24-F248 HydrophobicContact CD1-CD2 4.37Å; L24-F248 HydrophobicContact CD1-CE2 3.48Å; L24-F248 VanDerWaalsContact CD1-CE2 3.48Å; L24-F248 HydrophobicContact CD1-CZ 3.77Å; L24-F248 HydrophobicContact CG-CD2 4.25Å; L24-F248 HydrophobicContact CG-CE2 3.6Å; L24-F248 HydrophobicContact CG-CZ 4.38Å; L32-F248 HydrophobicContact CD1-CE1 4.23Å; L32-F248 HydrophobicContact CD1-CZ 3.7Å; L221-F248 HydrophobicContact CB-CD1 4.15Å; L221-F248 HydrophobicContact CB-CE1 3.87Å; L221-F248 HydrophobicContact CD1-CE1 4.12Å; L221-F248 WeakPolarHBondContact O-CD1 3.41Å; C223-F248 VanDerWaalsContact SG-CE1 3.54Å; L246-F248 HydrophobicContact CB-CE1 4.4Å; L246-F248 HydrophobicContact CB-CE2 3.71Å; L246-F248 HydrophobicContact CB-CZ 3.56Å; L246-F248 HydrophobicContact CD1-CZ 3.95Å; L246-F248 HydrophobicContact CG-CZ 4.41Å; F248-Q250 PolarHBondContact O-N 3.25Å; F248-V259 HydrophobicContact CB-CG1 4.1Å; F248-V259 HydrophobicContact CD1-CG1 3.86Å; F248-V259 HydrophobicContact CD1-CG2 4.04Å; F248-V259 HydrophobicContact CD2-CG1 3.84Å; F248-V259 HydrophobicContact CE1-CG1 4.23Å; F248-V259 HydrophobicContact CE1-CG2 3.92Å; F248-V259 HydrophobicContact CE2-CG1 4.26Å; F248-V259 HydrophobicContact CG-CG1 3.65Å; F248-V259 HydrophobicContact CZ-CG1 4.42Å; F248-V259 HydrophobicContact CZ-CG2 4.48Å
249	D	95.2	Very high	94.6	Very high	53 Å²	53	41.3 Å²	41.3	28%	0.283	20%	0.197	S	C	.	.			trans	-71.6	109	172.7	-176.8	8.9	0	0	0	110.1	D222 V224 N251 A252	D222-D249 PolarHBondContact O-N 3.22Å; V224-D249 HydrophobicContact CG1-CB 3.79Å; D249-N251 PolarHBondContact O-N 3.09Å; D249-N251 VanDerWaalsContact O-N 3.13Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.24Å; D249-N251 PolarHBondContact OD1-N 2.74Å; D249-N251 PolarHBondContact OD1-ND2 3.03Å; D249-N251 VanDerWaalsContact OD1-ND2 3.09Å; D249-A252 HydrophobicContact CB-CB 4.24Å; D249-A252 WeakPolarHBondContact O-CB 3.39Å; D249-A252 PolarHBondContact O-N 3.42Å
250	Q	89.4	Confident	94.6	Very high	53 Å²	53	44.9 Å²	44.9	25%	0.248	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.7	-26.7	174.6	-178.9	71.7	43.8	0	0	112.6	K19 R20 I22 F248 A252 I253	K19-Q250 HydrophobicContact CB-CB 4.18Å; K19-Q250 HydrophobicContact CB-CG 3.93Å; K19-Q250 HydrophobicContact CD-CG 4.46Å; R20-Q250 WeakPolarHBondContact O-CB 3.45Å; I22-Q250 VanDerWaalsContact CD1-OE1 3.24Å; I22-Q250 HydrophobicContact CG1-CB 4.49Å; F248-Q250 PolarHBondContact O-N 3.25Å; Q250-A252 PolarHBondContact O-N 3.49Å; Q250-I253 WeakPolarHBondContact O-CB 2.91Å; Q250-I253 WeakPolarHBondContact O-CG2 3.07Å; Q250-I253 PolarHBondContact O-N 2.87Å
251	N	91.7	Very high	94.5	Very high	58 Å²	58	49.8 Å²	49.8	31%	0.31	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-70.6	-18.8	176.6	-58.9	-53.7	0	0	0	112.9	D249 Y254	D249-N251 PolarHBondContact O-N 3.09Å; D249-N251 VanDerWaalsContact O-N 3.13Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.24Å; D249-N251 PolarHBondContact OD1-N 2.74Å; D249-N251 PolarHBondContact OD1-ND2 3.03Å; D249-N251 VanDerWaalsContact OD1-ND2 3.09Å; N251-Y254 WeakPolarHBondContact O-CD1 3.39Å; N251-Y254 WeakPolarHBondContact O-CE1 2.83Å
252	A	95.8	Very high	94.4	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-93.5	0.1	176.1	0	0	0	0	0	113	D222 D249 Q250 Y254 R255 Q256	D222-A252 HydrophobicContact CB-CB 3.4Å; D222-A252 VanDerWaalsContact CB-CB 3.4Å; D222-A252 WeakPolarHBondContact OD2-CB 3.23Å; D249-A252 HydrophobicContact CB-CB 4.24Å; D249-A252 WeakPolarHBondContact O-CB 3.39Å; D249-A252 PolarHBondContact O-N 3.42Å; Q250-A252 PolarHBondContact O-N 3.49Å; A252-Y254 PolarHBondContact O-N 2.93Å; A252-R255 HydrophobicContact CB-CG 4.46Å; A252-R255 WeakPolarHBondContact O-CG 3.47Å; A252-R255 PolarHBondContact O-N 3.08Å; A252-Q256 PolarHBondContact O-N 3.01Å
253	I	92.4	Very high	94.4	Very high	28 Å²	28	50.7 Å²	50.7	14%	0.144	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.5	-29.6	-171.9	-157.7	52.6	0	0	0	113.7	I22 Q250 R255 Q256 V259 H260	I22-I253 HydrophobicContact CD1-CB 4.38Å; I22-I253 HydrophobicContact CD1-CD1 3.24Å; I22-I253 HydrophobicContact CD1-CG1 3.78Å; Q250-I253 WeakPolarHBondContact O-CB 2.91Å; Q250-I253 WeakPolarHBondContact O-CG2 3.07Å; Q250-I253 PolarHBondContact O-N 2.87Å; I253-R255 PolarHBondContact O-N 3.01Å; I253-R255 VanDerWaalsContact O-N 3.13Å; I253-Q256 HydrophobicContact CD1-CB 4.29Å; I253-Q256 PolarHBondContact O-N 3.17Å; I253-V259 HydrophobicContact CD1-CB 4.34Å; I253-V259 HydrophobicContact CD1-CG1 4.18Å; I253-H260 HydrophobicContact CD1-CB 3.54Å; I253-H260 HydrophobicContact CG1-CB 3.65Å; I253-H260 WeakPolarHBondContact CG1-ND1 3.5Å
254	Y	94.7	Very high	94.5	Very high	174 Å²	174	52.3 Å²	52.3	68%	0.682	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59.5	-23.3	177.6	72.3	-89.5	0	0	0	113.7	N251 A252	N251-Y254 WeakPolarHBondContact O-CD1 3.39Å; N251-Y254 WeakPolarHBondContact O-CE1 2.83Å; A252-Y254 PolarHBondContact O-N 2.93Å
255	R	97.3	Very high	94.4	Very high	135 Å²	135	55.9 Å²	55.9	51%	0.509	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-111.1	6.8	177	62	173.4	-176.6	-155.4	2.7	113.2	D222 A252 I253 P257	D222-R255 IonicContact OD1-CZ 2.54Å; D222-R255 IonicContact OD1-NE 2.86Å; D222-R255 IonicContact OD1-NH2 2.76Å; D222-R255 PolarHBondContact OD1-NH2 2.82Å; D222-R255 IonicContact OD2-CZ 3.76Å; D222-R255 IonicContact OD2-NE 3.66Å; D222-R255 PolarHBondContact OD2-NE 2.75Å; D222-R255 IonicContact OD2-NH2 3.53Å; D222-R255 PolarHBondContact OD2-NH2 3.33Å; A252-R255 HydrophobicContact CB-CG 4.46Å; A252-R255 WeakPolarHBondContact O-CG 3.47Å; A252-R255 PolarHBondContact O-N 3.08Å; I253-R255 PolarHBondContact O-N 3.01Å; I253-R255 VanDerWaalsContact O-N 3.13Å; R255-P257 VanDerWaalsContact C-CD 3.42Å; R255-P257 WeakPolarHBondContact O-CD 3.34Å
256	Q	97.5	Very high	94.3	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.112	25%	0.252	C	S	.	.			trans	-122	64.3	-179	-62.6	-64.2	-12.2	0	0	111	A220 L221 D222 A252 I253 E258 V259 H260	A220-Q256 PolarHBondContact O-NE2 2.68Å; L221-Q256 VanDerWaalsContact C-NE2 3.32Å; D222-Q256 HydrophobicContact CB-CG 4.32Å; D222-Q256 PolarHBondContact OD2-NE2 3.04Å; A252-Q256 PolarHBondContact O-N 3.01Å; I253-Q256 HydrophobicContact CD1-CB 4.29Å; I253-Q256 PolarHBondContact O-N 3.17Å; Q256-E258 VanDerWaalsContact C-N 3.33Å; Q256-E258 PolarHBondContact O-N 3.32Å; Q256-V259 HydrophobicContact CB-CB 4.05Å; Q256-V259 HydrophobicContact CB-CG2 4.25Å; Q256-V259 PolarHBondContact O-N 3.1Å; Q256-H260 WeakPolarHBondContact O-CB 3.31Å; Q256-H260 PolarHBondContact O-N 3.34Å
257	P	96.8	Very high	94.1	Very high	102 Å²	102	54.7 Å²	54.7	66%	0.662	26%	0.263	S	S	*	.	H	α-helix	trans	-62	-35.1	-171	24.5	-34.7	0	0	0	113.8	R255 H260 K261	R255-P257 VanDerWaalsContact C-CD 3.42Å; R255-P257 WeakPolarHBondContact O-CD 3.34Å; P257-H260 PolarHBondContact O-N 3.07Å; P257-K261 WeakPolarHBondContact O-CB 3.31Å; P257-K261 PolarHBondContact O-N 3.11Å
258	E	96	Very high	93.8	Very high	80 Å²	80	57.2 Å²	57.2	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-71.6	-42.9	179.2	-173.7	64	-174.6	0	0	111.6	L32 Q256 H260 K261 M262	L32-E258 HydrophobicContact CD2-CG 4.47Å; Q256-E258 VanDerWaalsContact C-N 3.33Å; Q256-E258 PolarHBondContact O-N 3.32Å; E258-H260 VanDerWaalsContact C-N 3.28Å; E258-H260 PolarHBondContact O-N 2.92Å; E258-K261 PolarHBondContact O-N 2.85Å; E258-M262 HydrophobicContact CG-CE 4.01Å; E258-M262 WeakPolarHBondContact O-CG 3.02Å; E258-M262 PolarHBondContact O-N 3.49Å; E258-M262 WeakPolarHBondContact OE1-CE 3.29Å
259	V	96.4	Very high	93.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-40.5	173.1	178.4	0	0	0	0	110.1	I22 L24 L32 L221 F248 I253 Q256 M262 A263	I22-V259 HydrophobicContact CD1-CG1 4.36Å; I22-V259 HydrophobicContact CG2-CG1 4.39Å; L24-V259 HydrophobicContact CD1-CG1 4.45Å; L32-V259 HydrophobicContact CD1-CG2 4.46Å; L221-V259 HydrophobicContact CD2-CG2 4.27Å; F248-V259 HydrophobicContact CB-CG1 4.1Å; F248-V259 HydrophobicContact CD1-CG1 3.86Å; F248-V259 HydrophobicContact CD1-CG2 4.04Å; F248-V259 HydrophobicContact CD2-CG1 3.84Å; F248-V259 HydrophobicContact CE1-CG1 4.23Å; F248-V259 HydrophobicContact CE1-CG2 3.92Å; F248-V259 HydrophobicContact CE2-CG1 4.26Å; F248-V259 HydrophobicContact CG-CG1 3.65Å; F248-V259 HydrophobicContact CZ-CG1 4.42Å; F248-V259 HydrophobicContact CZ-CG2 4.48Å; I253-V259 HydrophobicContact CD1-CB 4.34Å; I253-V259 HydrophobicContact CD1-CG1 4.18Å; Q256-V259 HydrophobicContact CB-CB 4.05Å; Q256-V259 HydrophobicContact CB-CG2 4.25Å; Q256-V259 PolarHBondContact O-N 3.1Å; V259-M262 PolarHBondContact O-N 3.43Å; V259-A263 WeakPolarHBondContact O-CB 3.36Å; V259-A263 PolarHBondContact O-N 3.46Å
260	H	95.1	Very high	92.7	Very high	77 Å²	77	59.8 Å²	59.8	36%	0.356	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-46.9	177	-171.3	41.9	0	0	0	112.4	I253 Q256 P257 E258 M262 A263 L264	I253-H260 HydrophobicContact CD1-CB 3.54Å; I253-H260 HydrophobicContact CG1-CB 3.65Å; I253-H260 WeakPolarHBondContact CG1-ND1 3.5Å; Q256-H260 WeakPolarHBondContact O-CB 3.31Å; Q256-H260 PolarHBondContact O-N 3.34Å; P257-H260 PolarHBondContact O-N 3.07Å; E258-H260 VanDerWaalsContact C-N 3.28Å; E258-H260 PolarHBondContact O-N 2.92Å; H260-M262 PolarHBondContact O-N 3.03Å; H260-A263 WeakPolarHBondContact O-CB 3.21Å; H260-A263 PolarHBondContact O-N 3.04Å; H260-L264 WeakPolarHBondContact O-CG 3.41Å; H260-L264 PolarHBondContact O-N 2.97Å
261	K	95.8	Very high	92.6	Very high	111 Å²	111	59.1 Å²	59.1	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-48	176.2	-178.5	-173.1	169.8	-165.2	0	111.3	P257 E258 A263 L264 E265	P257-K261 WeakPolarHBondContact O-CB 3.31Å; P257-K261 PolarHBondContact O-N 3.11Å; E258-K261 PolarHBondContact O-N 2.85Å; K261-A263 VanDerWaalsContact C-N 3.29Å; K261-A263 PolarHBondContact O-N 3.5Å; K261-L264 PolarHBondContact O-N 2.98Å; K261-E265 WeakPolarHBondContact CE-OE1 3.4Å; K261-E265 WeakPolarHBondContact O-CG 3.49Å; K261-E265 PolarHBondContact O-N 3.47Å
262	M	95.3	Very high	92.3	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-37.9	177.2	-71.5	-174.1	-175.6	0	0	112.3	L24 Q28 K31 L32 E258 V259 H260 E265 V266	L24-M262 HydrophobicContact CD1-CB 4Å; L24-M262 HydrophobicContact CD1-SD 3.92Å; L24-M262 HydrophobicContact CD2-CB 3.69Å; L24-M262 HydrophobicContact CG-CB 4.5Å; Q28-M262 HydrophobicContact CB-SD 3.82Å; Q28-M262 HydrophobicContact CG-CG 4.43Å; Q28-M262 HydrophobicContact CG-SD 4.16Å; Q28-M262 PolarHBondContact NE2-O 2.8Å; K31-M262 HydrophobicContact CD-CE 3.83Å; K31-M262 HydrophobicContact CG-CE 4.19Å; L32-M262 HydrophobicContact CD1-SD 4.01Å; L32-M262 HydrophobicContact CD2-CE 3.98Å; L32-M262 HydrophobicContact CD2-SD 4.15Å; L32-M262 HydrophobicContact CG-CE 4.16Å; L32-M262 HydrophobicContact CG-SD 3.97Å; E258-M262 HydrophobicContact CG-CE 4.01Å; E258-M262 WeakPolarHBondContact O-CG 3.02Å; E258-M262 PolarHBondContact O-N 3.49Å; E258-M262 WeakPolarHBondContact OE1-CE 3.29Å; V259-M262 PolarHBondContact O-N 3.43Å; H260-M262 PolarHBondContact O-N 3.03Å; M262-E265 WeakPolarHBondContact O-CB 3.3Å; M262-E265 PolarHBondContact O-N 3.26Å; M262-V266 WeakPolarHBondContact O-CG2 3.22Å; M262-V266 PolarHBondContact O-N 3.08Å
263	A	92.6	Very high	91.6	Very high	19 Å²	19	61.3 Å²	61.3	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-44.3	176.5	0	0	0	0	0	112.2	I22 L24 V259 H260 K261 E265 V266 E267	I22-A263 HydrophobicContact CD1-CB 4.25Å; I22-A263 HydrophobicContact CG2-CB 3.52Å; L24-A263 HydrophobicContact CD2-CB 4.38Å; V259-A263 WeakPolarHBondContact O-CB 3.36Å; V259-A263 PolarHBondContact O-N 3.46Å; H260-A263 WeakPolarHBondContact O-CB 3.21Å; H260-A263 PolarHBondContact O-N 3.04Å; K261-A263 VanDerWaalsContact C-N 3.29Å; K261-A263 PolarHBondContact O-N 3.5Å; A263-E265 VanDerWaalsContact C-N 3.3Å; A263-E265 PolarHBondContact O-N 3.34Å; A263-V266 PolarHBondContact O-N 3.06Å; A263-E267 PolarHBondContact O-N 2.81Å
264	L	92.1	Very high	91.1	Very high	72 Å²	72	62.7 Å²	62.7	38%	0.377	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-36	175.8	-68.4	173.6	0	0	0	112	H260 K261 A268	H260-L264 WeakPolarHBondContact O-CG 3.41Å; H260-L264 PolarHBondContact O-N 2.97Å; K261-L264 PolarHBondContact O-N 2.98Å; L264-A268 VanDerWaalsContact O-CB 3.28Å; L264-A268 WeakPolarHBondContact O-CB 3.31Å; L264-A268 PolarHBondContact O-N 2.8Å
265	E	91.5	Very high	90.6	Very high	80 Å²	80	55.5 Å²	55.5	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-41.7	173.4	-70.9	172	-173.7	0	0	111.8	K261 M262 A263 V269	K261-E265 WeakPolarHBondContact CE-OE1 3.4Å; K261-E265 WeakPolarHBondContact O-CG 3.49Å; K261-E265 PolarHBondContact O-N 3.47Å; M262-E265 WeakPolarHBondContact O-CB 3.3Å; M262-E265 PolarHBondContact O-N 3.26Å; A263-E265 VanDerWaalsContact C-N 3.3Å; A263-E265 PolarHBondContact O-N 3.34Å; E265-V269 VanDerWaalsContact O-CG2 3.26Å; E265-V269 WeakPolarHBondContact O-CG2 3.41Å; E265-V269 PolarHBondContact O-N 2.99Å; E265-V269 VanDerWaalsContact O-N 3.17Å
266	V	89.2	Confident	90	Very high	12 Å²	12	53.7 Å²	53.7	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-49.9	175.4	174	0	0	0	0	110.8	L24 Q25 M262 A263 A268 V269 E270	L24-V266 HydrophobicContact CD2-CG2 4.41Å; Q25-V266 HydrophobicContact CG-CG2 3.94Å; M262-V266 WeakPolarHBondContact O-CG2 3.22Å; M262-V266 PolarHBondContact O-N 3.08Å; A263-V266 PolarHBondContact O-N 3.06Å; V266-A268 PolarHBondContact O-N 3.35Å; V266-V269 PolarHBondContact O-N 3.33Å; V266-V269 VanDerWaalsContact O-N 3.16Å; V266-E270 HydrophobicContact CG1-CG 4.23Å; V266-E270 WeakPolarHBondContact CG1-OE1 3.47Å; V266-E270 WeakPolarHBondContact O-CG 3.24Å; V266-E270 PolarHBondContact O-N 3.02Å
267	E	90	Very high	89.5	Confident	50 Å²	50	58.9 Å²	58.9	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-57.9	-47.8	179.5	-172.2	-171.6	87.5	0	0	111.1	A263 V269 E270 V271 A284 H288	A263-E267 PolarHBondContact O-N 2.81Å; E267-V269 VanDerWaalsContact C-N 3.27Å; E267-V269 PolarHBondContact O-N 3.3Å; E267-E270 PolarHBondContact O-N 2.82Å; E267-V271 HydrophobicContact CG-CG2 4.14Å; E267-V271 WeakPolarHBondContact O-CB 3.32Å; E267-V271 VanDerWaalsContact O-CG2 3.27Å; E267-V271 WeakPolarHBondContact O-CG2 3.28Å; E267-V271 PolarHBondContact O-N 3.44Å; E267-A284 VanDerWaalsContact CD-CB 3.44Å; E267-A284 HydrophobicContact CG-CB 3.76Å; E267-H288 IonicContact OE1-CE1 2.65Å; E267-H288 PolarHBondContact OE1-CE1 3.36Å; E267-H288 IonicContact OE1-NE2 3.39Å; E267-H288 PolarHBondContact OE1-NE2 3.03Å
268	A	88.4	Confident	89	Confident	61 Å²	61	55.1 Å²	55.1	50%	0.504	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-40.8	178.5	0	0	0	0	0	112.1	L264 V266 A272	L264-A268 VanDerWaalsContact O-CB 3.28Å; L264-A268 WeakPolarHBondContact O-CB 3.31Å; L264-A268 PolarHBondContact O-N 2.8Å; V266-A268 PolarHBondContact O-N 3.35Å; A268-A272 WeakPolarHBondContact O-CB 3.17Å; A268-A272 PolarHBondContact O-N 2.81Å
269	V	84.7	Confident	88.5	Confident	47 Å²	47	52.9 Å²	52.9	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-45.2	176.5	170.3	0	0	0	0	111.5	S122 E265 V266 E267 A273	S122-V269 WeakPolarHBondContact OG-CG1 3.32Å; E265-V269 VanDerWaalsContact O-CG2 3.26Å; E265-V269 WeakPolarHBondContact O-CG2 3.41Å; E265-V269 PolarHBondContact O-N 2.99Å; E265-V269 VanDerWaalsContact O-N 3.17Å; V266-V269 PolarHBondContact O-N 3.33Å; V266-V269 VanDerWaalsContact O-N 3.16Å; E267-V269 VanDerWaalsContact C-N 3.27Å; E267-V269 PolarHBondContact O-N 3.3Å; V269-A273 WeakPolarHBondContact O-CB 3.48Å; V269-A273 PolarHBondContact O-N 2.66Å
270	E	83.5	Confident	88	Confident	63 Å²	63	54.1 Å²	54.1	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-43.2	179.8	-74	179.6	178.1	0	0	112.6	P71 V266 E267 A273 S274	P71-E270 HydrophobicContact CG-CG 4.36Å; P71-E270 WeakPolarHBondContact CG-OE1 3.49Å; V266-E270 HydrophobicContact CG1-CG 4.23Å; V266-E270 WeakPolarHBondContact CG1-OE1 3.47Å; V266-E270 WeakPolarHBondContact O-CG 3.24Å; V266-E270 PolarHBondContact O-N 3.02Å; E267-E270 PolarHBondContact O-N 2.82Å; E270-A273 PolarHBondContact O-N 3.49Å; E270-S274 VanDerWaalsContact O-CB 3.31Å; E270-S274 WeakPolarHBondContact O-CB 3.38Å; E270-S274 PolarHBondContact O-N 2.95Å; E270-S274 PolarHBondContact O-OG 3.15Å
271	V	87.3	Confident	87.7	Confident	40 Å²	40	50.7 Å²	50.7	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-46.1	177.5	172	0	0	0	0	110.5	E267 A273 S274 G275 A281 A284	E267-V271 HydrophobicContact CG-CG2 4.14Å; E267-V271 WeakPolarHBondContact O-CB 3.32Å; E267-V271 VanDerWaalsContact O-CG2 3.27Å; E267-V271 WeakPolarHBondContact O-CG2 3.28Å; E267-V271 PolarHBondContact O-N 3.44Å; V271-A273 VanDerWaalsContact C-N 3.3Å; V271-A273 PolarHBondContact O-N 3.27Å; V271-S274 PolarHBondContact O-N 3.26Å; V271-G275 PolarHBondContact O-N 3.48Å; V271-A281 HydrophobicContact CG1-CB 3.94Å; V271-A284 HydrophobicContact CG2-CB 3.82Å
272	A	86.3	Confident	87.6	Confident	84 Å²	84	45.5 Å²	45.5	69%	0.694	29%	0.285	S	S	*	.	H	α-helix	trans	-62.1	-38.8	176.4	0	0	0	0	0	112.1	A268	A268-A272 WeakPolarHBondContact O-CB 3.17Å; A268-A272 PolarHBondContact O-N 2.81Å
273	A	80.8	Confident	87.5	Confident	22 Å²	22	47 Å²	47	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-38.1	179.2	0	0	0	0	0	114.1	L120 V269 E270 V271	L120-A273 HydrophobicContact CB-CB 3.72Å; L120-A273 HydrophobicContact CD2-CB 3.74Å; L120-A273 HydrophobicContact CG-CB 4.3Å; V269-A273 WeakPolarHBondContact O-CB 3.48Å; V269-A273 PolarHBondContact O-N 2.66Å; E270-A273 PolarHBondContact O-N 3.49Å; V271-A273 VanDerWaalsContact C-N 3.3Å; V271-A273 PolarHBondContact O-N 3.27Å
274	S	82	Confident	87.4	Confident	57 Å²	57	46.4 Å²	46.4	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-95.7	-18	-171.1	59.8	0	0	0	0	113.7	E270 V271 S278	E270-S274 VanDerWaalsContact O-CB 3.31Å; E270-S274 WeakPolarHBondContact O-CB 3.38Å; E270-S274 PolarHBondContact O-N 2.95Å; E270-S274 PolarHBondContact O-OG 3.15Å; V271-S274 PolarHBondContact O-N 3.26Å; S274-S278 VanDerWaalsContact CB-CB 3.45Å; S274-S278 WeakPolarHBondContact CB-OG 3.29Å; S274-S278 WeakPolarHBondContact O-CB 3.28Å; S274-S278 WeakPolarHBondContact OG-CB 3.27Å; S274-S278 PolarHBondContact OG-OG 2.85Å
275	G	84.3	Confident	87.4	Confident	23 Å²	23	45.2 Å²	45.2	24%	0.237	28%	0.281	C	S	.	.			trans	90.3	163.1	177.6	0	0	0	0	0	113.6	V271 K277 S278 A281	V271-G275 PolarHBondContact O-N 3.48Å; G275-K277 PolarHBondContact O-N 3.06Å; G275-S278 WeakPolarHBondContact O-CB 3.41Å; G275-S278 PolarHBondContact O-N 3.23Å; G275-S278 VanDerWaalsContact O-N 3.13Å; G275-S278 PolarHBondContact O-OG 3.4Å; G275-A281 VanDerWaalsContact O-CB 3.29Å; G275-A281 WeakPolarHBondContact O-CB 3.31Å
276	P	84.8	Confident	87.5	Confident	97 Å²	97	41.4 Å²	41.4	63%	0.63	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.8	-165.9	28.3	-37	0	0	0	115.1	R349	P276-R349 PolarHBondContact O-NH2 3.45Å
277	K	86.6	Confident	87.6	Confident	133 Å²	133	44 Å²	44	58%	0.578	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	4.6	178.3	-62.7	-174	176.3	-171.2	0	112.8	G275	G275-K277 PolarHBondContact O-N 3.06Å
278	S	85.6	Confident	87.6	Confident	23 Å²	23	47.2 Å²	47.2	16%	0.161	30%	0.295	C	S	.	.	S	Bend	trans	-70.3	158.7	179.3	72.3	0	0	0	0	111.4	S274 G275 A280 A281 L282	S274-S278 VanDerWaalsContact CB-CB 3.45Å; S274-S278 WeakPolarHBondContact CB-OG 3.29Å; S274-S278 WeakPolarHBondContact O-CB 3.28Å; S274-S278 WeakPolarHBondContact OG-CB 3.27Å; S274-S278 PolarHBondContact OG-OG 2.85Å; G275-S278 WeakPolarHBondContact O-CB 3.41Å; G275-S278 PolarHBondContact O-N 3.23Å; G275-S278 VanDerWaalsContact O-N 3.13Å; G275-S278 PolarHBondContact O-OG 3.4Å; S278-A280 PolarHBondContact O-N 3.5Å; S278-A281 PolarHBondContact O-N 3.22Å; S278-A281 VanDerWaalsContact O-N 3.12Å; S278-A281 WeakPolarHBondContact OG-CB 3.44Å; S278-A281 PolarHBondContact OG-N 2.95Å; S278-L282 WeakPolarHBondContact O-CG 3.11Å; S278-L282 PolarHBondContact O-N 2.93Å
279	A	85.8	Confident	87.7	Confident	32 Å²	32	46.5 Å²	46.5	26%	0.264	28%	0.282	S	S	.	.	H	α-helix	trans	-52.1	-46.1	171.1	0	0	0	0	0	111.2	A281 L282 E283	A279-A281 PolarHBondContact O-N 2.93Å; A279-L282 PolarHBondContact O-N 2.79Å; A279-E283 VanDerWaalsContact O-CB 3.31Å; A279-E283 WeakPolarHBondContact O-CB 3.19Å; A279-E283 WeakPolarHBondContact O-CG 3.46Å; A279-E283 PolarHBondContact O-N 2.71Å
280	A	85.3	Confident	87.9	Confident	28 Å²	28	46 Å²	46	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-42.9	177.7	0	0	0	0	0	113	S278 E283 A284	S278-A280 PolarHBondContact O-N 3.5Å; A280-E283 PolarHBondContact O-N 2.75Å; A280-A284 WeakPolarHBondContact O-CB 3.29Å; A280-A284 PolarHBondContact O-N 2.92Å
281	A	90.3	Very high	88.3	Confident	5 Å²	5	43.1 Å²	43.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-38.1	177.8	0	0	0	0	0	113	V271 G275 S278 A279 D285	V271-A281 HydrophobicContact CG1-CB 3.94Å; G275-A281 VanDerWaalsContact O-CB 3.29Å; G275-A281 WeakPolarHBondContact O-CB 3.31Å; S278-A281 PolarHBondContact O-N 3.22Å; S278-A281 VanDerWaalsContact O-N 3.12Å; S278-A281 WeakPolarHBondContact OG-CB 3.44Å; S278-A281 PolarHBondContact OG-N 2.95Å; A279-A281 PolarHBondContact O-N 2.93Å; A281-D285 WeakPolarHBondContact O-CB 3.42Å; A281-D285 PolarHBondContact O-N 2.92Å; A281-D285 VanDerWaalsContact O-N 3.14Å
282	L	93.4	Very high	88.5	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-71	-37.2	176.7	-63.7	-179.6	0	0	0	111.5	S278 A279 A286 Y293 I346 R349 D350	S278-L282 WeakPolarHBondContact O-CG 3.11Å; S278-L282 PolarHBondContact O-N 2.93Å; A279-L282 PolarHBondContact O-N 2.79Å; L282-A286 VanDerWaalsContact O-CB 3.29Å; L282-A286 WeakPolarHBondContact O-CB 3.33Å; L282-A286 PolarHBondContact O-N 3.43Å; L282-Y293 HydrophobicContact CB-CD1 4.1Å; L282-Y293 HydrophobicContact CB-CE1 3.56Å; L282-Y293 HydrophobicContact CD1-CE1 4.41Å; L282-I346 HydrophobicContact CB-CG2 4.02Å; L282-I346 HydrophobicContact CD2-CG2 4.2Å; L282-R349 HydrophobicContact CD2-CB 3.8Å; L282-D350 HydrophobicContact CD1-CB 3.92Å
283	E	92.6	Very high	88.9	Confident	38 Å²	38	38.9 Å²	38.9	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.3	-72.3	178.2	178.2	0	0	112.8	R20 A279 A280 A286 T287 Y293 I294 G295	R20-E283 VanDerWaalsContact CZ-CD 3.48Å; R20-E283 IonicContact CZ-OE1 3.64Å; R20-E283 IonicContact CZ-OE2 2.79Å; R20-E283 VanDerWaalsContact NH1-CG 3.34Å; R20-E283 IonicContact NH1-OE1 3.93Å; R20-E283 IonicContact NH1-OE2 3.07Å; R20-E283 PolarHBondContact NH1-OE2 3.41Å; R20-E283 IonicContact NH2-OE1 3.44Å; R20-E283 PolarHBondContact NH2-OE1 3.14Å; R20-E283 IonicContact NH2-OE2 3.43Å; R20-E283 PolarHBondContact NH2-OE2 3.07Å; A279-E283 VanDerWaalsContact O-CB 3.31Å; A279-E283 WeakPolarHBondContact O-CB 3.19Å; A279-E283 WeakPolarHBondContact O-CG 3.46Å; A279-E283 PolarHBondContact O-N 2.71Å; A280-E283 PolarHBondContact O-N 2.75Å; E283-A286 PolarHBondContact O-N 2.83Å; E283-T287 WeakPolarHBondContact O-CB 3.44Å; E283-T287 PolarHBondContact O-N 3.02Å; E283-T287 PolarHBondContact O-OG1 2.72Å; E283-Y293 HydrophobicContact CB-CD1 4.31Å; E283-Y293 HydrophobicContact CG-CD1 3.5Å; E283-Y293 HydrophobicContact CG-CE1 4.02Å; E283-I294 WeakPolarHBondContact OE1-CA 3.33Å; E283-G295 PolarHBondContact OE1-N 3.29Å
284	A	91.2	Very high	89.5	Confident	7 Å²	7	41 Å²	41	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-48.9	174.5	0	0	0	0	0	111.2	E267 V271 A280 A286 T287 H288	E267-A284 VanDerWaalsContact CD-CB 3.44Å; E267-A284 HydrophobicContact CG-CB 3.76Å; V271-A284 HydrophobicContact CG2-CB 3.82Å; A280-A284 WeakPolarHBondContact O-CB 3.29Å; A280-A284 PolarHBondContact O-N 2.92Å; A284-A286 PolarHBondContact O-N 3.49Å; A284-T287 PolarHBondContact O-N 3.03Å; A284-H288 PolarHBondContact O-N 2.63Å; A284-H288 PolarHBondContact O-ND1 3.12Å
285	D	93	Very high	90	Very high	46 Å²	46	38.9 Å²	38.9	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-44	178.2	-169.1	18.6	0	0	0	111.8	A281 T287 H288 N289 R349	A281-D285 WeakPolarHBondContact O-CB 3.42Å; A281-D285 PolarHBondContact O-N 2.92Å; A281-D285 VanDerWaalsContact O-N 3.14Å; D285-T287 VanDerWaalsContact C-N 3.33Å; D285-T287 PolarHBondContact O-N 3.12Å; D285-H288 PolarHBondContact O-N 3Å; D285-N289 PolarHBondContact O-N 3.31Å; D285-N289 VanDerWaalsContact O-N 3.13Å; D285-N289 PolarHBondContact O-ND2 2.88Å; D285-N289 PolarHBondContact OD1-ND2 3.24Å; D285-R349 IonicContact OD2-CZ 3.95Å; D285-R349 IonicContact OD2-NH1 3.02Å; D285-R349 PolarHBondContact OD2-NH1 2.82Å
286	A	92.9	Very high	90.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.6	-49	173.5	0	0	0	0	0	111.8	L282 E283 A284 H288 N289 G290 L291 Y293 I346	L282-A286 VanDerWaalsContact O-CB 3.29Å; L282-A286 WeakPolarHBondContact O-CB 3.33Å; L282-A286 PolarHBondContact O-N 3.43Å; E283-A286 PolarHBondContact O-N 2.83Å; A284-A286 PolarHBondContact O-N 3.49Å; A286-H288 PolarHBondContact O-N 3.21Å; A286-N289 CarbonylContact O-C 3.51Å; A286-N289 PolarHBondContact O-N 2.66Å; A286-N289 VanDerWaalsContact O-N 3.09Å; A286-G290 PolarHBondContact O-N 3.13Å; A286-L291 CarbonylContact C-O 3.51Å; A286-L291 HydrophobicContact CB-CB 4.03Å; A286-L291 WeakPolarHBondContact O-CA 3.49Å; A286-L291 WeakPolarHBondContact O-CB 3.38Å; A286-L291 PolarHBondContact O-N 2.99Å; A286-Y293 HydrophobicContact CB-CG 4.22Å; A286-I346 HydrophobicContact CB-CD1 3.8Å
287	T	90.2	Very high	90.2	Very high	66 Å²	66	41.2 Å²	41.2	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-44.9	-178.5	-60.6	0	0	0	0	111.5	E283 A284 D285 N289 G290	E283-T287 WeakPolarHBondContact O-CB 3.44Å; E283-T287 PolarHBondContact O-N 3.02Å; E283-T287 PolarHBondContact O-OG1 2.72Å; A284-T287 PolarHBondContact O-N 3.03Å; D285-T287 VanDerWaalsContact C-N 3.33Å; D285-T287 PolarHBondContact O-N 3.12Å; T287-N289 PolarHBondContact O-N 3.04Å; T287-G290 PolarHBondContact O-N 3.05Å
288	H	90.4	Very high	90	Very high	119 Å²	119	40 Å²	40	55%	0.551	23%	0.233	S	C	*	.	H	α-helix	trans	-63.1	-26.7	176.5	-69.3	142.4	0	0	0	113.8	E267 A284 D285 A286 G290	E267-H288 IonicContact OE1-CE1 2.65Å; E267-H288 PolarHBondContact OE1-CE1 3.36Å; E267-H288 IonicContact OE1-NE2 3.39Å; E267-H288 PolarHBondContact OE1-NE2 3.03Å; A284-H288 PolarHBondContact O-N 2.63Å; A284-H288 PolarHBondContact O-ND1 3.12Å; D285-H288 PolarHBondContact O-N 3Å; A286-H288 PolarHBondContact O-N 3.21Å; H288-G290 VanDerWaalsContact C-N 3.35Å
289	N	90.6	Very high	90.4	Very high	46 Å²	46	39 Å²	39	25%	0.246	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	11.2	174.7	-67.5	-87.1	0	0	0	113	D285 A286 T287 L291 K342	D285-N289 PolarHBondContact O-N 3.31Å; D285-N289 VanDerWaalsContact O-N 3.13Å; D285-N289 PolarHBondContact O-ND2 2.88Å; D285-N289 PolarHBondContact OD1-ND2 3.24Å; A286-N289 CarbonylContact O-C 3.51Å; A286-N289 PolarHBondContact O-N 2.66Å; A286-N289 VanDerWaalsContact O-N 3.09Å; T287-N289 PolarHBondContact O-N 3.04Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.2Å; N289-K342 HydrophobicContact CB-CB 4.27Å; N289-K342 HydrophobicContact CB-CG 4.33Å; N289-K342 WeakPolarHBondContact OD1-CG 3.42Å
290	G	88.8	Confident	90.9	Very high	37 Å²	37	38.2 Å²	38.2	38%	0.381	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	23.9	176.9	0	0	0	0	0	114.4	A286 T287 H288	A286-G290 PolarHBondContact O-N 3.13Å; T287-G290 PolarHBondContact O-N 3.05Å; H288-G290 VanDerWaalsContact C-N 3.35Å
291	L	91.7	Very high	91.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.207	C	C	.	.			trans	-104.9	151.2	178.3	-58.3	175.2	0	0	0	110.7	A286 N289 L329 L331 Q339 K342 A343 I346	A286-L291 CarbonylContact C-O 3.51Å; A286-L291 HydrophobicContact CB-CB 4.03Å; A286-L291 WeakPolarHBondContact O-CA 3.49Å; A286-L291 WeakPolarHBondContact O-CB 3.38Å; A286-L291 PolarHBondContact O-N 2.99Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.2Å; L291-L329 HydrophobicContact CB-CD1 4.01Å; L291-L331 HydrophobicContact CD2-CD2 3.75Å; L291-Q339 HydrophobicContact CD2-CB 4.15Å; L291-K342 HydrophobicContact CD1-CB 4.28Å; L291-A343 HydrophobicContact CD1-CB 4.04Å; L291-I346 HydrophobicContact CD1-CD1 3.88Å
292	N	91.9	Very high	91.9	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	99.1	174.2	-54.5	-69.8	0	0	0	109.7	F328 L329 D330	N292-F328 HydrophobicContact CB-CE1 4.27Å; N292-L329 VanDerWaalsContact O-CA 3.3Å; N292-L329 WeakPolarHBondContact O-CA 3.48Å; N292-D330 HydrophobicContact CB-CB 4.27Å; N292-D330 PolarHBondContact N-O 2.91Å; N292-D330 PolarHBondContact O-N 3.42Å
293	Y	94.3	Very high	92.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.3	-179.8	-179.2	-95.5	0	0	0	111	R20 L282 E283 A286 N327 F328 L329 I346 L347	R20-Y293 PolarHBondContact NH1-O 2.74Å; L282-Y293 HydrophobicContact CB-CD1 4.1Å; L282-Y293 HydrophobicContact CB-CE1 3.56Å; L282-Y293 HydrophobicContact CD1-CE1 4.41Å; E283-Y293 HydrophobicContact CB-CD1 4.31Å; E283-Y293 HydrophobicContact CG-CD1 3.5Å; E283-Y293 HydrophobicContact CG-CE1 4.02Å; A286-Y293 HydrophobicContact CB-CG 4.22Å; Y293-N327 HydrophobicContact CD2-CB 4.08Å; Y293-N327 HydrophobicContact CE2-CB 3.33Å; Y293-F328 WeakPolarHBondContact CA-O 3.49Å; Y293-L329 HydrophobicContact CD2-CB 4.26Å; Y293-L329 HydrophobicContact CD2-CD1 4.14Å; Y293-L329 HydrophobicContact CG-CD1 4.5Å; Y293-I346 HydrophobicContact CD2-CG2 4Å; Y293-I346 HydrophobicContact CE2-CG2 3.96Å; Y293-I346 HydrophobicContact CG-CG2 4.36Å; Y293-L347 HydrophobicContact CD2-CD2 4.41Å; Y293-L347 HydrophobicContact CE2-CD2 3.7Å
294	I	93.4	Very high	92.2	Very high	66 Å²	66	34.9 Å²	34.9	34%	0.338	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.3	168.2	-49.8	-170.5	0	0	0	107.8	R20 E283 N327 F328	R20-I294 VanDerWaalsContact NH2-CG1 3.33Å; R20-I294 VanDerWaalsContact NH2-CG2 3.34Å; E283-I294 WeakPolarHBondContact OE1-CA 3.33Å; I294-N327 CarbonylContact O-C 3.55Å; I294-N327 WeakPolarHBondContact O-CA 3.47Å; I294-N327 WeakPolarHBondContact O-CB 3.44Å; I294-F328 HydrophobicContact CB-CB 4.06Å; I294-F328 HydrophobicContact CG1-CB 4.37Å; I294-F328 HydrophobicContact CG1-CD1 4.13Å; I294-F328 PolarHBondContact N-O 3.1Å; I294-F328 PolarHBondContact O-N 2.97Å
295	G	92.4	Very high	92.4	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.6	172.8	0	0	0	0	0	111.2	E283	E283-G295 PolarHBondContact OE1-N 3.29Å
296	L	92.3	Very high	92.4	Very high	56 Å²	56	33.3 Å²	33.3	29%	0.293	19%	0.188	S	C	.	.			trans	-107.3	137.3	170.1	-58.5	177	0	0	0	108.6	D298 M315 P325 A326 R352	L296-D298 PolarHBondContact O-N 2.93Å; L296-M315 HydrophobicContact CD1-SD 3.92Å; L296-P325 HydrophobicContact CD1-CB 4.13Å; L296-P325 HydrophobicContact CD1-CG 3.95Å; L296-P325 WeakPolarHBondContact CD1-O 3.26Å; L296-A326 PolarHBondContact N-O 3.2Å; L296-R352 PolarHBondContact O-NH1 2.84Å; L296-R352 PolarHBondContact O-NH2 3.22Å
297	D	80.9	Confident	92.2	Very high	113 Å²	113	34.6 Å²	34.6	60%	0.604	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.3	-164.9	-74.1	-29.5	0	0	0	114.8	T115 R352	T115-D297 VanDerWaalsContact CG2-OD2 3.3Å; T115-D297 WeakPolarHBondContact CG2-OD2 3.46Å; D297-R352 PolarHBondContact O-NH1 3.24Å
298	D	84	Confident	92.3	Very high	107 Å²	107	33 Å²	33	57%	0.572	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.2	16.2	-167.7	78.8	-39.4	0	0	0	115	L296 K324	L296-D298 PolarHBondContact O-N 2.93Å; D298-K324 WeakPolarHBondContact O-CD 3.45Å; D298-K324 IonicContact OD2-NZ 2.73Å; D298-K324 PolarHBondContact OD2-NZ 3.44Å
299	G	93.7	Very high	92.4	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	19%	0.192	C	C	.	.			trans	-97.1	162.7	-178.1	0	0	0	0	0	116.1	K324 P325	G299-K324 CarbonylContact C-O 3.44Å; G299-K324 WeakPolarHBondContact CA-O 3.36Å; G299-P325 WeakPolarHBondContact CA-O 3.28Å
300	N	96.2	Very high	92.6	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.08	19%	0.191	C	C	.	.			trans	-139.1	2.8	-178.8	74.5	-34.7	0	0	0	114.7	K324 R352 I353 D354 C355 R431	N300-K324 PolarHBondContact N-O 3.26Å; N300-K324 PolarHBondContact OD1-O 3.02Å; N300-R352 VanDerWaalsContact CA-O 3.32Å; N300-R352 WeakPolarHBondContact CA-O 3.4Å; N300-R352 WeakPolarHBondContact CB-O 3.37Å; N300-I353 CarbonylContact O-C 3.54Å; N300-I353 WeakPolarHBondContact O-CA 3.24Å; N300-D354 WeakPolarHBondContact CB-OD2 3.46Å; N300-D354 PolarHBondContact ND2-OD2 2.88Å; N300-D354 PolarHBondContact O-N 2.88Å; N300-C355 PolarHBondContact O-N 2.68Å; N300-R431 VanDerWaalsContact ND2-CZ 3.34Å; N300-R431 PolarHBondContact ND2-NE 2.87Å
301	I	97.7	Very high	93	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	108	175.2	-61.7	162.6	0	0	0	108.2	I318 K324 P325 A326 C355 L357 A423 V424 A427	I301-I318 HydrophobicContact CB-CD1 4.47Å; I301-I318 HydrophobicContact CB-CG2 4.32Å; I301-I318 HydrophobicContact CD1-CG2 3.62Å; I301-I318 HydrophobicContact CG2-CD1 3.72Å; I301-I318 HydrophobicContact CG2-CG1 4.38Å; I301-I318 HydrophobicContact CG2-CG2 4.47Å; I301-K324 PolarHBondContact N-O 3.37Å; I301-P325 CarbonylContact O-C 3.56Å; I301-P325 WeakPolarHBondContact O-CA 3.49Å; I301-A326 PolarHBondContact O-N 3.13Å; I301-C355 CarbonylContact C-O 3.55Å; I301-C355 WeakPolarHBondContact CA-O 3.28Å; I301-L357 HydrophobicContact CG2-CB 4.4Å; I301-A423 HydrophobicContact CG2-CB 4.13Å; I301-V424 HydrophobicContact CD1-CB 4.32Å; I301-V424 HydrophobicContact CD1-CG2 3.81Å; I301-A427 HydrophobicContact CD1-CB 4.13Å; I301-A427 HydrophobicContact CG1-CB 3.69Å
302	G	97.4	Very high	93.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.6	176.5	0	0	0	0	0	110.7	N327 C355 I356 L357	G302-N327 WeakPolarHBondContact CA-OD1 3.37Å; G302-C355 PolarHBondContact N-O 3.08Å; G302-I356 CarbonylContact O-C 3.58Å; G302-I356 WeakPolarHBondContact O-CA 3.47Å; G302-L357 PolarHBondContact O-N 3.01Å
303	C	97.4	Very high	93.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.7	178.5	-62.7	0	0	0	0	110.3	I318 N327 L329 L357	C303-I318 WeakPolarHBondContact SG-CD1 3.35Å; C303-N327 PolarHBondContact N-OD1 3.19Å; C303-N327 PolarHBondContact O-ND2 3.31Å; C303-L329 VanDerWaalsContact O-CB 3.29Å; C303-L329 WeakPolarHBondContact O-CB 3.3Å; C303-L357 WeakPolarHBondContact CA-O 3.43Å
304	I	96	Very high	93.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.4	167	-50.8	-173	0	0	0	108.2	L329 L331 A343 F344 L347 I356 L357 V358 N359	I304-L329 HydrophobicContact CG1-CD2 4.09Å; I304-L329 HydrophobicContact CG2-CD2 4.38Å; I304-L331 HydrophobicContact CG2-CD1 3.61Å; I304-L331 HydrophobicContact CG2-CD2 3.92Å; I304-L331 HydrophobicContact CG2-CG 3.78Å; I304-A343 HydrophobicContact CD1-CB 4.07Å; I304-A343 HydrophobicContact CG2-CB 4.37Å; I304-F344 HydrophobicContact CD1-CD1 3.91Å; I304-F344 HydrophobicContact CD1-CD2 3.96Å; I304-F344 HydrophobicContact CD1-CE1 3.68Å; I304-F344 HydrophobicContact CD1-CE2 3.69Å; I304-F344 HydrophobicContact CD1-CG 4.03Å; I304-F344 HydrophobicContact CD1-CZ 3.51Å; I304-L347 HydrophobicContact CD1-CD1 3.85Å; I304-L347 HydrophobicContact CG1-CD1 3.47Å; I304-L347 VanDerWaalsContact CG1-CD1 3.47Å; I304-L347 HydrophobicContact CG1-CG 4.48Å; I304-I356 HydrophobicContact CD1-CG2 4.21Å; I304-I356 HydrophobicContact CG1-CG2 4.1Å; I304-L357 PolarHBondContact N-O 2.97Å; I304-V358 HydrophobicContact CB-CG2 4.46Å; I304-V358 WeakPolarHBondContact O-CA 3.5Å; I304-N359 PolarHBondContact O-N 2.76Å
305	V	95.3	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.4	-172.9	-176.1	0	0	0	0	110.8	L310 A311 T314 L329 D330 L331 N359	V305-L310 HydrophobicContact CG1-CB 3.78Å; V305-L310 HydrophobicContact CG1-CD2 3.82Å; V305-L310 HydrophobicContact CG1-CG 3.59Å; V305-A311 HydrophobicContact CB-CB 3.83Å; V305-A311 HydrophobicContact CG1-CB 4.03Å; V305-A311 HydrophobicContact CG2-CB 4.35Å; V305-T314 HydrophobicContact CG2-CG2 4.12Å; V305-L329 PolarHBondContact N-O 3.18Å; V305-L329 VanDerWaalsContact N-O 3.14Å; V305-D330 WeakPolarHBondContact O-CA 3.48Å; V305-L331 PolarHBondContact O-N 3.02Å; V305-N359 WeakPolarHBondContact CA-O 3.41Å; V305-N359 WeakPolarHBondContact CG1-O 3.28Å; V305-N359 HydrophobicContact CG2-CB 4.22Å
306	N	92	Very high	94.1	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.102	22%	0.216	C	C	.	.	S	Bend	trans	-104.9	116	169.3	71.7	-49.7	0	0	0	111.3	I360 F361 V365	N306-I360 HydrophobicContact CB-CD1 3.95Å; N306-I360 VanDerWaalsContact OD1-CA 3.22Å; N306-I360 WeakPolarHBondContact OD1-CA 3.29Å; N306-I360 WeakPolarHBondContact OD1-CG2 3.27Å; N306-F361 PolarHBondContact ND2-O 2.9Å; N306-F361 PolarHBondContact OD1-N 2.71Å; N306-V365 HydrophobicContact CB-CG2 4.15Å
307	G	90	Very high	94.3	Very high	28 Å²	28	34.2 Å²	34.2	29%	0.289	21%	0.21	S	C	.	.	S	Bend	trans	98.5	122.7	-178.3	0	0	0	0	0	112.8	G309 L310 A311 D330	G307-G309 VanDerWaalsContact C-N 3.31Å; G307-G309 PolarHBondContact O-N 3.13Å; G307-L310 PolarHBondContact O-N 3.01Å; G307-L310 VanDerWaalsContact O-N 3.08Å; G307-A311 PolarHBondContact O-N 3.22Å; G307-D330 VanDerWaalsContact CA-OD1 3.32Å; G307-D330 WeakPolarHBondContact CA-OD1 3.3Å; G307-D330 PolarHBondContact N-OD1 2.93Å
308	A	91.3	Very high	95.1	Very high	32 Å²	32	28.8 Å²	28.8	26%	0.264	18%	0.181	S	C	.	.	H	α-helix	trans	-51.6	-41.5	-178.7	0	0	0	0	0	115	A311 M312 F328 D330	A308-A311 PolarHBondContact O-N 2.95Å; A308-M312 WeakPolarHBondContact O-CG 3.36Å; A308-M312 PolarHBondContact O-N 2.97Å; A308-F328 HydrophobicContact CB-CE2 4.32Å; A308-F328 HydrophobicContact CB-CZ 3.85Å; A308-D330 PolarHBondContact N-OD2 3.23Å
309	G	93.5	Very high	95.8	Very high	49 Å²	49	29.7 Å²	29.7	51%	0.505	18%	0.181	S	C	.	.	H	α-helix	trans	-64.6	-41.4	178.6	0	0	0	0	0	113	G307 A313	G307-G309 VanDerWaalsContact C-N 3.31Å; G307-G309 PolarHBondContact O-N 3.13Å; G309-A313 PolarHBondContact O-N 3.44Å
310	L	94.8	Very high	95.9	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-71.2	-34.8	176.4	-174.3	62.5	0	0	0	111.2	V305 G307 A313 T314 N359 F361 L416	V305-L310 HydrophobicContact CG1-CB 3.78Å; V305-L310 HydrophobicContact CG1-CD2 3.82Å; V305-L310 HydrophobicContact CG1-CG 3.59Å; G307-L310 PolarHBondContact O-N 3.01Å; G307-L310 VanDerWaalsContact O-N 3.08Å; L310-A313 PolarHBondContact O-N 3.44Å; L310-T314 WeakPolarHBondContact O-CB 3.07Å; L310-T314 PolarHBondContact O-N 3.11Å; L310-T314 PolarHBondContact O-OG1 2.94Å; L310-N359 WeakPolarHBondContact CG-ND2 3.5Å; L310-F361 HydrophobicContact CD2-CB 3.91Å; L310-L416 HydrophobicContact CD1-CD2 4.18Å
311	A	95.8	Very high	96	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-46.2	175.6	0	0	0	0	0	111.2	V305 G307 A308 T314 M315 F328	V305-A311 HydrophobicContact CB-CB 3.83Å; V305-A311 HydrophobicContact CG1-CB 4.03Å; V305-A311 HydrophobicContact CG2-CB 4.35Å; G307-A311 PolarHBondContact O-N 3.22Å; A308-A311 PolarHBondContact O-N 2.95Å; A311-T314 PolarHBondContact O-N 3.47Å; A311-M315 WeakPolarHBondContact O-CG 3.32Å; A311-M315 PolarHBondContact O-N 3.43Å; A311-M315 VanDerWaalsContact O-N 3.13Å; A311-F328 HydrophobicContact CB-CD2 3.77Å; A311-F328 HydrophobicContact CB-CE2 3.45Å; A311-F328 VanDerWaalsContact CB-CE2 3.45Å; A311-F328 HydrophobicContact CB-CZ 4.02Å
312	M	96.7	Very high	95.9	Very high	98 Å²	98	46.9 Å²	46.9	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-50.7	172.5	-68.8	-175.6	-66	0	0	111.9	A308 T314 M315 D316 F328	A308-M312 WeakPolarHBondContact O-CG 3.36Å; A308-M312 PolarHBondContact O-N 2.97Å; M312-T314 PolarHBondContact O-N 3.18Å; M312-M315 HydrophobicContact CB-CE 4.46Å; M312-M315 HydrophobicContact CG-CE 4.18Å; M312-M315 PolarHBondContact O-N 2.94Å; M312-M315 VanDerWaalsContact O-N 3.12Å; M312-D316 VanDerWaalsContact O-CG 3.28Å; M312-D316 PolarHBondContact O-N 2.54Å; M312-F328 HydrophobicContact CG-CD2 4.21Å; M312-F328 HydrophobicContact CG-CE2 3.99Å
313	A	97.4	Very high	95.8	Very high	43 Å²	43	47.1 Å²	47.1	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-32.4	179.2	0	0	0	0	0	113.4	G309 L310 L317	G309-A313 PolarHBondContact O-N 3.44Å; L310-A313 PolarHBondContact O-N 3.44Å; A313-L317 WeakPolarHBondContact O-CB 3.35Å; A313-L317 PolarHBondContact O-N 3.21Å
314	T	98	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-44.9	176.3	-56.9	0	0	0	0	111.1	V305 L310 A311 M312 L317 I318 L357 N359 L416	V305-T314 HydrophobicContact CG2-CG2 4.12Å; L310-T314 WeakPolarHBondContact O-CB 3.07Å; L310-T314 PolarHBondContact O-N 3.11Å; L310-T314 PolarHBondContact O-OG1 2.94Å; A311-T314 PolarHBondContact O-N 3.47Å; M312-T314 PolarHBondContact O-N 3.18Å; T314-L317 PolarHBondContact O-N 3.23Å; T314-I318 HydrophobicContact CG2-CD1 4.39Å; T314-I318 WeakPolarHBondContact O-CG1 3.49Å; T314-I318 PolarHBondContact O-N 3.13Å; T314-L357 HydrophobicContact CG2-CD2 3.51Å; T314-L357 HydrophobicContact CG2-CG 4.25Å; T314-N359 HydrophobicContact CG2-CB 4.26Å; T314-N359 PolarHBondContact OG1-ND2 3.39Å; T314-L416 HydrophobicContact CG2-CD1 4.35Å
315	M	97.7	Very high	95.9	Very high	22 Å²	22	52.4 Å²	52.4	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-43.6	175.1	-68.7	-173.7	-57.3	0	0	111.7	L296 A311 M312 L317 I318 H319 P325 F328	L296-M315 HydrophobicContact CD1-SD 3.92Å; A311-M315 WeakPolarHBondContact O-CG 3.32Å; A311-M315 PolarHBondContact O-N 3.43Å; A311-M315 VanDerWaalsContact O-N 3.13Å; M312-M315 HydrophobicContact CB-CE 4.46Å; M312-M315 HydrophobicContact CG-CE 4.18Å; M312-M315 PolarHBondContact O-N 2.94Å; M312-M315 VanDerWaalsContact O-N 3.12Å; M315-L317 VanDerWaalsContact C-N 3.27Å; M315-L317 PolarHBondContact O-N 3.38Å; M315-I318 PolarHBondContact O-N 2.93Å; M315-H319 PolarHBondContact O-N 3.15Å; M315-P325 HydrophobicContact CB-CB 3.9Å; M315-P325 HydrophobicContact CB-CG 3.92Å; M315-P325 HydrophobicContact CG-CB 3.75Å; M315-P325 HydrophobicContact CG-CG 4.26Å; M315-P325 HydrophobicContact SD-CB 4.34Å; M315-F328 HydrophobicContact CE-CB 3.89Å; M315-F328 HydrophobicContact CE-CD2 3.64Å; M315-F328 HydrophobicContact CE-CG 4.26Å; M315-F328 HydrophobicContact SD-CB 3.74Å; M315-F328 HydrophobicContact SD-CD2 4.46Å
316	D	97.6	Very high	95.9	Very high	109 Å²	109	52.4 Å²	52.4	58%	0.583	28%	0.281	S	S	*	.	H	α-helix	trans	-60.3	-39.2	177.4	-67.3	-17.7	0	0	0	111.1	M312 H319 Y320	M312-D316 VanDerWaalsContact O-CG 3.28Å; M312-D316 PolarHBondContact O-N 2.54Å; D316-H319 WeakPolarHBondContact O-CB 3.06Å; D316-H319 PolarHBondContact O-N 3.18Å; D316-Y320 WeakPolarHBondContact O-CB 3.26Å; D316-Y320 PolarHBondContact O-N 3.29Å
317	L	97.6	Very high	96.2	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-38.2	178.8	-160.4	62.4	0	0	0	112.7	A313 T314 M315 H319 Y320 H321 L416 E417 A420	A313-L317 WeakPolarHBondContact O-CB 3.35Å; A313-L317 PolarHBondContact O-N 3.21Å; T314-L317 PolarHBondContact O-N 3.23Å; M315-L317 VanDerWaalsContact C-N 3.27Å; M315-L317 PolarHBondContact O-N 3.38Å; L317-H319 VanDerWaalsContact C-N 3.25Å; L317-H319 PolarHBondContact O-N 3.39Å; L317-Y320 HydrophobicContact CD1-CD1 4.16Å; L317-Y320 HydrophobicContact CD1-CG 4.47Å; L317-Y320 WeakPolarHBondContact O-CB 3.48Å; L317-Y320 PolarHBondContact O-N 3.38Å; L317-H321 PolarHBondContact O-CD2 3.32Å; L317-H321 VanDerWaalsContact O-CD2 3.23Å; L317-H321 PolarHBondContact O-N 3.1Å; L317-L416 HydrophobicContact CD2-CB 4.38Å; L317-L416 HydrophobicContact CD2-CD2 4.34Å; L317-L416 HydrophobicContact CD2-CG 3.72Å; L317-E417 WeakPolarHBondContact CD1-OE2 3.37Å; L317-A420 HydrophobicContact CB-CB 4.12Å; L317-A420 HydrophobicContact CD2-CB 3.88Å; L317-A420 HydrophobicContact CG-CB 3.78Å
318	I	98	Very high	96.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-45.8	169.3	-72.6	162.4	0	0	0	109.9	I301 C303 T314 M315 H321 H322 G323 L357 A420 V424	I301-I318 HydrophobicContact CB-CD1 4.47Å; I301-I318 HydrophobicContact CB-CG2 4.32Å; I301-I318 HydrophobicContact CD1-CG2 3.62Å; I301-I318 HydrophobicContact CG2-CD1 3.72Å; I301-I318 HydrophobicContact CG2-CG1 4.38Å; I301-I318 HydrophobicContact CG2-CG2 4.47Å; C303-I318 WeakPolarHBondContact SG-CD1 3.35Å; T314-I318 HydrophobicContact CG2-CD1 4.39Å; T314-I318 WeakPolarHBondContact O-CG1 3.49Å; T314-I318 PolarHBondContact O-N 3.13Å; M315-I318 PolarHBondContact O-N 2.93Å; I318-H321 CarbonylContact O-C 3.42Å; I318-H321 PolarHBondContact O-N 3.3Å; I318-H322 PolarHBondContact O-N 3.41Å; I318-G323 WeakPolarHBondContact O-CA 3.37Å; I318-G323 PolarHBondContact O-N 3.3Å; I318-L357 HydrophobicContact CD1-CD2 3.85Å; I318-L357 HydrophobicContact CG1-CD2 4.05Å; I318-A420 HydrophobicContact CG1-CB 4.36Å; I318-V424 HydrophobicContact CG2-CG2 4.18Å
319	H	96.8	Very high	96.7	Very high	125 Å²	125	49.9 Å²	49.9	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-65.4	-39.8	178.4	-174	67.1	0	0	0	112.7	M315 D316 L317 H321 H322 G323	M315-H319 PolarHBondContact O-N 3.15Å; D316-H319 WeakPolarHBondContact O-CB 3.06Å; D316-H319 PolarHBondContact O-N 3.18Å; L317-H319 VanDerWaalsContact C-N 3.25Å; L317-H319 PolarHBondContact O-N 3.39Å; H319-H321 PolarHBondContact O-N 3.29Å; H319-H322 WeakPolarHBondContact O-CA 3.43Å; H319-H322 PolarHBondContact O-N 2.84Å; H319-G323 WeakPolarHBondContact CA-O 3.17Å
320	Y	97.1	Very high	96.8	Very high	161 Å²	161	47.6 Å²	47.6	63%	0.631	23%	0.232	S	C	*	.	H	α-helix	trans	-56.8	-38.8	174.4	179.7	-98	0	0	0	111.9	D316 L317 H322	D316-Y320 WeakPolarHBondContact O-CB 3.26Å; D316-Y320 PolarHBondContact O-N 3.29Å; L317-Y320 HydrophobicContact CD1-CD1 4.16Å; L317-Y320 HydrophobicContact CD1-CG 4.47Å; L317-Y320 WeakPolarHBondContact O-CB 3.48Å; L317-Y320 PolarHBondContact O-N 3.38Å; Y320-H322 PolarHBondContact O-N 3.49Å
321	H	97	Very high	96.6	Very high	45 Å²	45	45.9 Å²	45.9	21%	0.208	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	16.1	172.7	-73.9	-68.8	0	0	0	114.2	L317 I318 H319 G323 E417 V424	L317-H321 PolarHBondContact O-CD2 3.32Å; L317-H321 VanDerWaalsContact O-CD2 3.23Å; L317-H321 PolarHBondContact O-N 3.1Å; I318-H321 CarbonylContact O-C 3.42Å; I318-H321 PolarHBondContact O-N 3.3Å; H319-H321 PolarHBondContact O-N 3.29Å; H321-G323 PolarHBondContact O-N 3.16Å; H321-E417 IonicContact CE1-OE1 2.74Å; H321-E417 PolarHBondContact CE1-OE1 2.91Å; H321-E417 IonicContact NE2-OE1 3.35Å; H321-E417 PolarHBondContact NE2-OE1 3.36Å; H321-E417 IonicContact NE2-OE2 2.95Å; H321-V424 HydrophobicContact CB-CG2 3.93Å
322	H	95.7	Very high	96.1	Very high	174 Å²	174	46.3 Å²	46.3	81%	0.806	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	15.2	179.6	-47.9	-59.1	0	0	0	115.4	I318 H319 Y320	I318-H322 PolarHBondContact O-N 3.41Å; H319-H322 WeakPolarHBondContact O-CA 3.43Å; H319-H322 PolarHBondContact O-N 2.84Å; Y320-H322 PolarHBondContact O-N 3.49Å
323	G	96.4	Very high	95.1	Very high	5 Å²	5	43.4 Å²	43.4	5%	0.052	22%	0.222	C	C	.	.			trans	-79.2	173.4	167.1	0	0	0	0	0	112.7	I318 H319 H321	I318-G323 WeakPolarHBondContact O-CA 3.37Å; I318-G323 PolarHBondContact O-N 3.3Å; H319-G323 WeakPolarHBondContact CA-O 3.17Å; H321-G323 PolarHBondContact O-N 3.16Å
324	K	97.3	Very high	94.4	Very high	96 Å²	96	46.2 Å²	46.2	42%	0.417	24%	0.239	S	C	.	.			trans	-126.2	107.4	175.5	-59.9	-167.8	174.2	-160.3	0	110.9	D298 G299 N300 I301 A326	D298-K324 WeakPolarHBondContact O-CD 3.45Å; D298-K324 IonicContact OD2-NZ 2.73Å; D298-K324 PolarHBondContact OD2-NZ 3.44Å; G299-K324 CarbonylContact C-O 3.44Å; G299-K324 WeakPolarHBondContact CA-O 3.36Å; N300-K324 PolarHBondContact N-O 3.26Å; N300-K324 PolarHBondContact OD1-O 3.02Å; I301-K324 PolarHBondContact N-O 3.37Å; K324-A326 PolarHBondContact O-N 2.84Å
325	P	97.5	Very high	93.8	Very high	17 Å²	17	47 Å²	47	11%	0.11	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-63.8	130.1	176.2	27.4	-33	0	0	0	109.9	L296 G299 I301 M315	L296-P325 HydrophobicContact CD1-CB 4.13Å; L296-P325 HydrophobicContact CD1-CG 3.95Å; L296-P325 WeakPolarHBondContact CD1-O 3.26Å; G299-P325 WeakPolarHBondContact CA-O 3.28Å; I301-P325 CarbonylContact O-C 3.56Å; I301-P325 WeakPolarHBondContact O-CA 3.49Å; M315-P325 HydrophobicContact CB-CB 3.9Å; M315-P325 HydrophobicContact CB-CG 3.92Å; M315-P325 HydrophobicContact CG-CB 3.75Å; M315-P325 HydrophobicContact CG-CG 4.26Å; M315-P325 HydrophobicContact SD-CB 4.34Å
326	A	96.7	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.			trans	-82.4	-22.4	-179.6	0	0	0	0	0	112.9	L296 I301 K324 I353	L296-A326 PolarHBondContact N-O 3.2Å; I301-A326 PolarHBondContact O-N 3.13Å; K324-A326 PolarHBondContact O-N 2.84Å; A326-I353 HydrophobicContact CB-CD1 4.08Å; A326-I353 HydrophobicContact CB-CG1 3.71Å
327	N	97.2	Very high	93	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	159.5	-176.4	72.6	-73.8	0	0	0	112.3	Y293 I294 G302 C303 L329 L347	Y293-N327 HydrophobicContact CD2-CB 4.08Å; Y293-N327 HydrophobicContact CE2-CB 3.33Å; I294-N327 CarbonylContact O-C 3.55Å; I294-N327 WeakPolarHBondContact O-CA 3.47Å; I294-N327 WeakPolarHBondContact O-CB 3.44Å; G302-N327 WeakPolarHBondContact CA-OD1 3.37Å; C303-N327 PolarHBondContact N-OD1 3.19Å; C303-N327 PolarHBondContact O-ND2 3.31Å; N327-L329 VanDerWaalsContact ND2-CB 3.27Å; N327-L329 WeakPolarHBondContact ND2-CB 3.21Å; N327-L329 PolarHBondContact ND2-N 3Å; N327-L347 WeakPolarHBondContact OD1-CD2 3.36Å
328	F	96.8	Very high	92.6	Very high	26 Å²	26	48 Å²	48	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.3	153	171.7	-81.6	0	0	0	108.4	N292 Y293 I294 A308 A311 M312 M315 D330	N292-F328 HydrophobicContact CB-CE1 4.27Å; Y293-F328 WeakPolarHBondContact CA-O 3.49Å; I294-F328 HydrophobicContact CB-CB 4.06Å; I294-F328 HydrophobicContact CG1-CB 4.37Å; I294-F328 HydrophobicContact CG1-CD1 4.13Å; I294-F328 PolarHBondContact N-O 3.1Å; I294-F328 PolarHBondContact O-N 2.97Å; A308-F328 HydrophobicContact CB-CE2 4.32Å; A308-F328 HydrophobicContact CB-CZ 3.85Å; A311-F328 HydrophobicContact CB-CD2 3.77Å; A311-F328 HydrophobicContact CB-CE2 3.45Å; A311-F328 VanDerWaalsContact CB-CE2 3.45Å; A311-F328 HydrophobicContact CB-CZ 4.02Å; M312-F328 HydrophobicContact CG-CD2 4.21Å; M312-F328 HydrophobicContact CG-CE2 3.99Å; M315-F328 HydrophobicContact CE-CB 3.89Å; M315-F328 HydrophobicContact CE-CD2 3.64Å; M315-F328 HydrophobicContact CE-CG 4.26Å; M315-F328 HydrophobicContact SD-CB 3.74Å; M315-F328 HydrophobicContact SD-CD2 4.46Å; F328-D330 HydrophobicContact CE1-CB 3.75Å; F328-D330 HydrophobicContact CZ-CB 3.79Å
329	L	96	Very high	92.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	116.8	168	-179.3	62.2	0	0	0	111	L291 N292 Y293 C303 I304 V305 N327 A343	L291-L329 HydrophobicContact CB-CD1 4.01Å; N292-L329 VanDerWaalsContact O-CA 3.3Å; N292-L329 WeakPolarHBondContact O-CA 3.48Å; Y293-L329 HydrophobicContact CD2-CB 4.26Å; Y293-L329 HydrophobicContact CD2-CD1 4.14Å; Y293-L329 HydrophobicContact CG-CD1 4.5Å; C303-L329 VanDerWaalsContact O-CB 3.29Å; C303-L329 WeakPolarHBondContact O-CB 3.3Å; I304-L329 HydrophobicContact CG1-CD2 4.09Å; I304-L329 HydrophobicContact CG2-CD2 4.38Å; V305-L329 PolarHBondContact N-O 3.18Å; V305-L329 VanDerWaalsContact N-O 3.14Å; N327-L329 VanDerWaalsContact ND2-CB 3.27Å; N327-L329 WeakPolarHBondContact ND2-CB 3.21Å; N327-L329 PolarHBondContact ND2-N 3Å; L329-A343 HydrophobicContact CD2-CB 3.62Å
330	D	94.2	Very high	92	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.1	173.9	178	14.9	0	0	0	110.6	N292 V305 G307 A308 F328 G332	N292-D330 HydrophobicContact CB-CB 4.27Å; N292-D330 PolarHBondContact N-O 2.91Å; N292-D330 PolarHBondContact O-N 3.42Å; V305-D330 WeakPolarHBondContact O-CA 3.48Å; G307-D330 VanDerWaalsContact CA-OD1 3.32Å; G307-D330 WeakPolarHBondContact CA-OD1 3.3Å; G307-D330 PolarHBondContact N-OD1 2.93Å; A308-D330 PolarHBondContact N-OD2 3.23Å; F328-D330 HydrophobicContact CE1-CB 3.75Å; F328-D330 HydrophobicContact CZ-CB 3.79Å; D330-G332 VanDerWaalsContact C-N 3.32Å; D330-G332 WeakPolarHBondContact OD1-CA 3.14Å; D330-G332 PolarHBondContact OD1-N 3.33Å
331	L	91.4	Very high	91.8	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	22%	0.221	C	C	.	.			trans	-73.4	-19.7	174.7	-64.9	178	0	0	0	113.6	L291 I304 V305 V335 V340 A343 I360 I370	L291-L331 HydrophobicContact CD2-CD2 3.75Å; I304-L331 HydrophobicContact CG2-CD1 3.61Å; I304-L331 HydrophobicContact CG2-CD2 3.92Å; I304-L331 HydrophobicContact CG2-CG 3.78Å; V305-L331 PolarHBondContact O-N 3.02Å; L331-V335 HydrophobicContact CB-CB 4.29Å; L331-V335 HydrophobicContact CB-CG2 4.01Å; L331-V335 HydrophobicContact CD1-CG2 4.2Å; L331-V335 HydrophobicContact CD2-CG2 4.28Å; L331-V335 HydrophobicContact CG-CG2 4.4Å; L331-V340 HydrophobicContact CD1-CG2 4.41Å; L331-A343 HydrophobicContact CD2-CB 3.87Å; L331-I360 HydrophobicContact CD1-CD1 3.91Å; L331-I370 HydrophobicContact CD1-CD1 4.03Å
332	G	85.3	Confident	91.6	Very high	10 Å²	10	40.1 Å²	40.1	10%	0.103	23%	0.228	C	C	.	.			trans	77.7	-172.6	-171.5	0	0	0	0	0	114	D330	D330-G332 VanDerWaalsContact C-N 3.32Å; D330-G332 WeakPolarHBondContact OD1-CA 3.14Å; D330-G332 PolarHBondContact OD1-N 3.33Å
333	G	76.5	Confident	91.5	Very high	37 Å²	37	31.8 Å²	31.8	38%	0.381	19%	0.189	S	C	.	.	S	Bend	trans	-88.3	-17.8	-173.9	0	0	0	0	0	115.9	V365	G333-V365 VanDerWaalsContact O-CG2 3.26Å; G333-V365 WeakPolarHBondContact O-CG2 3.32Å
334	S	81.2	Confident	91.3	Very high	103 Å²	103	31.6 Å²	31.6	72%	0.72	19%	0.187	S	C	*	.	S	Bend	trans	-128.2	71.7	-176.2	-60.2	0	0	0	0	109.6
335	V	85.6	Confident	91	Very high	17 Å²	17	30.3 Å²	30.3	10%	0.103	18%	0.182	C	C	.	.			trans	-91.4	139.6	-175.7	66.5	0	0	0	0	111.5	L331 Q339 V340 V365 I370	L331-V335 HydrophobicContact CB-CB 4.29Å; L331-V335 HydrophobicContact CB-CG2 4.01Å; L331-V335 HydrophobicContact CD1-CG2 4.2Å; L331-V335 HydrophobicContact CD2-CG2 4.28Å; L331-V335 HydrophobicContact CG-CG2 4.4Å; V335-Q339 HydrophobicContact CG2-CB 3.88Å; V335-V340 HydrophobicContact CG2-CG2 3.68Å; V335-V365 HydrophobicContact CG1-CG1 3.76Å; V335-V365 HydrophobicContact CG1-CG2 4.29Å; V335-I370 HydrophobicContact CG1-CD1 3.49Å; V335-I370 VanDerWaalsContact CG1-CD1 3.49Å
336	T	89	Confident	90.8	Very high	70 Å²	70	29.6 Å²	29.6	43%	0.429	18%	0.177	S	C	.	.			trans	-100.4	157.7	174.1	62.4	0	0	0	0	111.4	S338 Q339 V340	T336-S338 PolarHBondContact O-N 3.49Å; T336-Q339 PolarHBondContact O-N 3.4Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.08Å; T336-Q339 PolarHBondContact OG1-N 3.14Å; T336-Q339 PolarHBondContact OG1-OE1 2.95Å; T336-V340 PolarHBondContact O-N 2.92Å; T336-V340 VanDerWaalsContact O-N 3.13Å
337	T	88.9	Confident	90.6	Very high	47 Å²	47	29.6 Å²	29.6	29%	0.288	18%	0.177	S	C	.	.	H	α-helix	trans	-51.3	-42.6	173.7	-49.4	0	0	0	0	111.9	Q339 V340 E341 E372	T337-Q339 PolarHBondContact O-N 3.33Å; T337-V340 WeakPolarHBondContact O-CB 3.22Å; T337-V340 PolarHBondContact O-N 3.48Å; T337-E341 WeakPolarHBondContact O-CG 3.23Å; T337-E341 PolarHBondContact O-N 3.12Å; T337-E372 HydrophobicContact CG2-CB 4.4Å
338	S	90.3	Very high	90.3	Very high	66 Å²	66	31.6 Å²	31.6	46%	0.462	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-40.1	178.3	-174.2	0	0	0	0	112.7	T336 V340 E341 K342	T336-S338 PolarHBondContact O-N 3.49Å; S338-V340 VanDerWaalsContact C-N 3.31Å; S338-V340 PolarHBondContact O-N 2.87Å; S338-E341 PolarHBondContact O-N 3.17Å; S338-K342 VanDerWaalsContact O-CG 3.27Å; S338-K342 WeakPolarHBondContact O-CG 3.46Å; S338-K342 PolarHBondContact O-N 2.88Å
339	Q	91.5	Very high	90	Very high	41 Å²	41	34 Å²	34	19%	0.192	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-36.5	175.6	-76.9	171.3	-55.9	0	0	112.3	L291 V335 T336 T337 K342 A343	L291-Q339 HydrophobicContact CD2-CB 4.15Å; V335-Q339 HydrophobicContact CG2-CB 3.88Å; T336-Q339 PolarHBondContact O-N 3.4Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.08Å; T336-Q339 PolarHBondContact OG1-N 3.14Å; T336-Q339 PolarHBondContact OG1-OE1 2.95Å; T337-Q339 PolarHBondContact O-N 3.33Å; Q339-K342 PolarHBondContact O-N 2.87Å; Q339-A343 PolarHBondContact O-N 3.14Å
340	V	91.5	Very high	89.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-46.7	173.8	179.4	0	0	0	0	110.5	L331 V335 T336 T337 S338 K342 A343 F344 I370	L331-V340 HydrophobicContact CD1-CG2 4.41Å; V335-V340 HydrophobicContact CG2-CG2 3.68Å; T336-V340 PolarHBondContact O-N 2.92Å; T336-V340 VanDerWaalsContact O-N 3.13Å; T337-V340 WeakPolarHBondContact O-CB 3.22Å; T337-V340 PolarHBondContact O-N 3.48Å; S338-V340 VanDerWaalsContact C-N 3.31Å; S338-V340 PolarHBondContact O-N 2.87Å; V340-K342 VanDerWaalsContact C-N 3.31Å; V340-K342 PolarHBondContact O-N 3.48Å; V340-A343 WeakPolarHBondContact O-CB 3.38Å; V340-A343 PolarHBondContact O-N 3.37Å; V340-F344 HydrophobicContact CG1-CD2 4.01Å; V340-F344 HydrophobicContact CG1-CE2 3.76Å; V340-F344 VanDerWaalsContact O-CD2 3.26Å; V340-F344 WeakPolarHBondContact O-CD2 3.49Å; V340-F344 PolarHBondContact O-N 3Å; V340-F344 VanDerWaalsContact O-N 3.11Å; V340-I370 HydrophobicContact CG2-CD1 3.66Å
341	E	91.6	Very high	89.6	Confident	45 Å²	45	39.1 Å²	39.1	21%	0.21	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-44	175.4	-70.4	171.5	-179	0	0	111.8	T337 S338 A343 F344 H345 S376	T337-E341 WeakPolarHBondContact O-CG 3.23Å; T337-E341 PolarHBondContact O-N 3.12Å; S338-E341 PolarHBondContact O-N 3.17Å; E341-A343 VanDerWaalsContact C-N 3.35Å; E341-A343 PolarHBondContact O-N 3.08Å; E341-F344 PolarHBondContact O-N 2.88Å; E341-H345 PolarHBondContact O-CD2 3.43Å; E341-H345 PolarHBondContact O-N 2.94Å; E341-S376 WeakPolarHBondContact OE1-CB 3.28Å; E341-S376 PolarHBondContact OE1-OG 3.33Å
342	K	92.1	Very high	89.6	Confident	78 Å²	78	42.1 Å²	42.1	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-40.7	176.4	-67.9	-64.5	-178.7	-171.2	0	112.3	N289 L291 S338 Q339 V340 F344 H345 I346	N289-K342 HydrophobicContact CB-CB 4.27Å; N289-K342 HydrophobicContact CB-CG 4.33Å; N289-K342 WeakPolarHBondContact OD1-CG 3.42Å; L291-K342 HydrophobicContact CD1-CB 4.28Å; S338-K342 VanDerWaalsContact O-CG 3.27Å; S338-K342 WeakPolarHBondContact O-CG 3.46Å; S338-K342 PolarHBondContact O-N 2.88Å; Q339-K342 PolarHBondContact O-N 2.87Å; V340-K342 VanDerWaalsContact C-N 3.31Å; V340-K342 PolarHBondContact O-N 3.48Å; K342-F344 VanDerWaalsContact C-N 3.33Å; K342-F344 PolarHBondContact O-N 2.88Å; K342-H345 WeakPolarHBondContact O-CB 3.36Å; K342-H345 PolarHBondContact O-N 3.46Å; K342-I346 WeakPolarHBondContact O-CD1 3.34Å; K342-I346 VanDerWaalsContact O-CG1 3.28Å; K342-I346 WeakPolarHBondContact O-CG1 3.19Å; K342-I346 PolarHBondContact O-N 2.88Å
343	A	94.1	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-46.4	173.3	0	0	0	0	0	111.6	L291 I304 L329 L331 Q339 V340 E341 I346 L347	L291-A343 HydrophobicContact CD1-CB 4.04Å; I304-A343 HydrophobicContact CD1-CB 4.07Å; I304-A343 HydrophobicContact CG2-CB 4.37Å; L329-A343 HydrophobicContact CD2-CB 3.62Å; L331-A343 HydrophobicContact CD2-CB 3.87Å; Q339-A343 PolarHBondContact O-N 3.14Å; V340-A343 WeakPolarHBondContact O-CB 3.38Å; V340-A343 PolarHBondContact O-N 3.37Å; E341-A343 VanDerWaalsContact C-N 3.35Å; E341-A343 PolarHBondContact O-N 3.08Å; A343-I346 PolarHBondContact O-N 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.42Å; A343-L347 PolarHBondContact O-N 2.97Å; A343-L347 VanDerWaalsContact O-N 3.1Å
344	F	92.6	Very high	91	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.1	-80.5	-74.8	0	0	0	113.2	I304 V340 E341 K342 I346 L347 A348 I356 V358 L374 A377 V383 V387	I304-F344 HydrophobicContact CD1-CD1 3.91Å; I304-F344 HydrophobicContact CD1-CD2 3.96Å; I304-F344 HydrophobicContact CD1-CE1 3.68Å; I304-F344 HydrophobicContact CD1-CE2 3.69Å; I304-F344 HydrophobicContact CD1-CG 4.03Å; I304-F344 HydrophobicContact CD1-CZ 3.51Å; V340-F344 HydrophobicContact CG1-CD2 4.01Å; V340-F344 HydrophobicContact CG1-CE2 3.76Å; V340-F344 VanDerWaalsContact O-CD2 3.26Å; V340-F344 WeakPolarHBondContact O-CD2 3.49Å; V340-F344 PolarHBondContact O-N 3Å; V340-F344 VanDerWaalsContact O-N 3.11Å; E341-F344 PolarHBondContact O-N 2.88Å; K342-F344 VanDerWaalsContact C-N 3.33Å; K342-F344 PolarHBondContact O-N 2.88Å; F344-I346 VanDerWaalsContact C-N 3.28Å; F344-I346 PolarHBondContact O-N 2.95Å; F344-L347 PolarHBondContact O-N 3.44Å; F344-A348 VanDerWaalsContact O-CB 3.28Å; F344-A348 WeakPolarHBondContact O-CB 3.37Å; F344-A348 PolarHBondContact O-N 3.39Å; F344-I356 HydrophobicContact CD1-CD1 3.92Å; F344-I356 HydrophobicContact CE1-CD1 4.11Å; F344-I356 HydrophobicContact CE1-CG2 4Å; F344-V358 HydrophobicContact CE1-CG2 4.19Å; F344-V358 HydrophobicContact CZ-CG2 3.61Å; F344-L374 HydrophobicContact CE1-CD1 3.69Å; F344-L374 HydrophobicContact CE2-CB 4.14Å; F344-L374 HydrophobicContact CE2-CD1 3.64Å; F344-L374 HydrophobicContact CZ-CB 4.43Å; F344-L374 HydrophobicContact CZ-CD1 3.14Å; F344-L374 HydrophobicContact CZ-CG 4.34Å; F344-A377 HydrophobicContact CB-CB 3.73Å; F344-A377 HydrophobicContact CD2-CB 3.92Å; F344-A377 HydrophobicContact CG-CB 3.88Å; F344-V383 HydrophobicContact CB-CG2 4.06Å; F344-V383 HydrophobicContact CD1-CG2 3.81Å; F344-V383 HydrophobicContact CG-CG2 4.3Å; F344-V387 HydrophobicContact CE1-CG1 4.27Å
345	H	90.8	Very high	91.6	Very high	70 Å²	70	36.4 Å²	36.4	32%	0.324	20%	0.199	S	C	.	.	H	α-helix	trans	-58.7	-39.8	175.1	-81.9	-71.8	0	0	0	112.9	E341 K342 R349 I382	E341-H345 PolarHBondContact O-CD2 3.43Å; E341-H345 PolarHBondContact O-N 2.94Å; K342-H345 WeakPolarHBondContact O-CB 3.36Å; K342-H345 PolarHBondContact O-N 3.46Å; H345-R349 WeakPolarHBondContact O-CD 3.17Å; H345-R349 WeakPolarHBondContact O-CG 3.38Å; H345-R349 PolarHBondContact O-N 3.05Å; H345-I382 HydrophobicContact CB-CG2 4.49Å; H345-I382 WeakPolarHBondContact CE1-CD1 3.41Å; H345-I382 WeakPolarHBondContact CE1-CG1 3.44Å; H345-I382 WeakPolarHBondContact ND1-CG2 3.36Å; H345-I382 WeakPolarHBondContact NE2-CD1 3.46Å
346	I	93	Very high	92.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-49.3	177.4	-70.8	159.2	0	0	0	109.9	L282 A286 L291 Y293 K342 A343 F344 A348 R349	L282-I346 HydrophobicContact CB-CG2 4.02Å; L282-I346 HydrophobicContact CD2-CG2 4.2Å; A286-I346 HydrophobicContact CB-CD1 3.8Å; L291-I346 HydrophobicContact CD1-CD1 3.88Å; Y293-I346 HydrophobicContact CD2-CG2 4Å; Y293-I346 HydrophobicContact CE2-CG2 3.96Å; Y293-I346 HydrophobicContact CG-CG2 4.36Å; K342-I346 WeakPolarHBondContact O-CD1 3.34Å; K342-I346 VanDerWaalsContact O-CG1 3.28Å; K342-I346 WeakPolarHBondContact O-CG1 3.19Å; K342-I346 PolarHBondContact O-N 2.88Å; A343-I346 PolarHBondContact O-N 3.27Å; F344-I346 VanDerWaalsContact C-N 3.28Å; F344-I346 PolarHBondContact O-N 2.95Å; I346-A348 PolarHBondContact O-N 3.21Å; I346-R349 PolarHBondContact O-N 3.2Å
347	L	93.9	Very high	92.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-40.2	178.8	-62	-167	0	0	0	112.5	Y293 I304 N327 A343 F344 R349 D350 I353 I356	Y293-L347 HydrophobicContact CD2-CD2 4.41Å; Y293-L347 HydrophobicContact CE2-CD2 3.7Å; I304-L347 HydrophobicContact CD1-CD1 3.85Å; I304-L347 HydrophobicContact CG1-CD1 3.47Å; I304-L347 VanDerWaalsContact CG1-CD1 3.47Å; I304-L347 HydrophobicContact CG1-CG 4.48Å; N327-L347 WeakPolarHBondContact OD1-CD2 3.36Å; A343-L347 WeakPolarHBondContact O-CG 3.42Å; A343-L347 PolarHBondContact O-N 2.97Å; A343-L347 VanDerWaalsContact O-N 3.1Å; F344-L347 PolarHBondContact O-N 3.44Å; L347-R349 PolarHBondContact O-N 3.33Å; L347-D350 WeakPolarHBondContact O-CB 3.35Å; L347-D350 PolarHBondContact O-N 2.69Å; L347-I353 HydrophobicContact CB-CD1 3.95Å; L347-I353 HydrophobicContact CD2-CD1 3.91Å; L347-I353 HydrophobicContact CG-CD1 4.39Å; L347-I356 HydrophobicContact CB-CD1 3.96Å; L347-I356 HydrophobicContact CB-CG1 4.49Å; L347-I356 HydrophobicContact CD1-CD1 4.12Å; L347-I356 HydrophobicContact CD1-CG1 4.1Å; L347-I356 HydrophobicContact CD1-CG2 3.88Å
348	A	90.6	Very high	92.9	Very high	42 Å²	42	30.1 Å²	30.1	35%	0.347	16%	0.16	S	C	.	.	H	α-helix	trans	-64.9	-21.7	179.2	0	0	0	0	0	113.9	F344 I346 D350 I382 V383	F344-A348 VanDerWaalsContact O-CB 3.28Å; F344-A348 WeakPolarHBondContact O-CB 3.37Å; F344-A348 PolarHBondContact O-N 3.39Å; I346-A348 PolarHBondContact O-N 3.21Å; A348-D350 VanDerWaalsContact C-N 3.34Å; A348-I382 HydrophobicContact CB-CG2 3.95Å; A348-I382 WeakPolarHBondContact CB-O 3.41Å; A348-V383 HydrophobicContact CB-CG2 4.41Å
349	R	90.7	Very high	93.2	Very high	78 Å²	78	27 Å²	27	29%	0.294	14%	0.138	S	C	.	.	H	α-helix	trans	-77.3	-22.4	174.7	-77.8	165.2	58.5	-169.2	-3.6	112.9	P276 L282 D285 H345 I346 L347 S351	P276-R349 PolarHBondContact O-NH2 3.45Å; L282-R349 HydrophobicContact CD2-CB 3.8Å; D285-R349 IonicContact OD2-CZ 3.95Å; D285-R349 IonicContact OD2-NH1 3.02Å; D285-R349 PolarHBondContact OD2-NH1 2.82Å; H345-R349 WeakPolarHBondContact O-CD 3.17Å; H345-R349 WeakPolarHBondContact O-CG 3.38Å; H345-R349 PolarHBondContact O-N 3.05Å; I346-R349 PolarHBondContact O-N 3.2Å; L347-R349 PolarHBondContact O-N 3.33Å; R349-S351 PolarHBondContact O-N 2.7Å
350	D	91.9	Very high	93.3	Very high	7 Å²	7	25 Å²	25	4%	0.037	13%	0.129	C	C	.	.			trans	-81.6	99.9	176.2	-172.5	-7.4	0	0	0	110.1	L282 L347 A348 R352 I353	L282-D350 HydrophobicContact CD1-CB 3.92Å; L347-D350 WeakPolarHBondContact O-CB 3.35Å; L347-D350 PolarHBondContact O-N 2.69Å; A348-D350 VanDerWaalsContact C-N 3.34Å; D350-R352 PolarHBondContact O-N 3.15Å; D350-R352 VanDerWaalsContact OD1-CB 3.31Å; D350-R352 WeakPolarHBondContact OD1-CB 3.36Å; D350-R352 WeakPolarHBondContact OD1-CG 3.31Å; D350-R352 IonicContact OD1-CZ 2.77Å; D350-R352 PolarHBondContact OD1-N 3.09Å; D350-R352 VanDerWaalsContact OD1-N 3.09Å; D350-R352 IonicContact OD1-NE 3.15Å; D350-R352 PolarHBondContact OD1-NE 3.25Å; D350-R352 IonicContact OD1-NH2 3.76Å; D350-R352 IonicContact OD2-CZ 2.8Å; D350-R352 IonicContact OD2-NE 2.84Å; D350-R352 PolarHBondContact OD2-NE 3.35Å; D350-R352 IonicContact OD2-NH2 2.64Å; D350-R352 PolarHBondContact OD2-NH2 2.99Å; D350-I353 HydrophobicContact CB-CD1 3.8Å; D350-I353 HydrophobicContact CB-CG1 3.96Å; D350-I353 PolarHBondContact O-N 3.42Å; D350-I353 VanDerWaalsContact O-N 3.15Å
351	S	89.1	Confident	93.4	Very high	101 Å²	101	30.5 Å²	30.5	71%	0.706	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-4	-177.7	55.5	0	0	0	0	114.5	R349	R349-S351 PolarHBondContact O-N 2.7Å
352	R	91.8	Very high	93	Very high	71 Å²	71	28.5 Å²	28.5	27%	0.268	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-19.8	175.8	-56.8	172.6	-62.9	155.3	10.4	112.2	L296 D297 N300 D350 D354 R431	L296-R352 PolarHBondContact O-NH1 2.84Å; L296-R352 PolarHBondContact O-NH2 3.22Å; D297-R352 PolarHBondContact O-NH1 3.24Å; N300-R352 VanDerWaalsContact CA-O 3.32Å; N300-R352 WeakPolarHBondContact CA-O 3.4Å; N300-R352 WeakPolarHBondContact CB-O 3.37Å; D350-R352 PolarHBondContact O-N 3.15Å; D350-R352 VanDerWaalsContact OD1-CB 3.31Å; D350-R352 WeakPolarHBondContact OD1-CB 3.36Å; D350-R352 WeakPolarHBondContact OD1-CG 3.31Å; D350-R352 IonicContact OD1-CZ 2.77Å; D350-R352 PolarHBondContact OD1-N 3.09Å; D350-R352 VanDerWaalsContact OD1-N 3.09Å; D350-R352 IonicContact OD1-NE 3.15Å; D350-R352 PolarHBondContact OD1-NE 3.25Å; D350-R352 IonicContact OD1-NH2 3.76Å; D350-R352 IonicContact OD2-CZ 2.8Å; D350-R352 IonicContact OD2-NE 2.84Å; D350-R352 PolarHBondContact OD2-NE 3.35Å; D350-R352 IonicContact OD2-NH2 2.64Å; D350-R352 PolarHBondContact OD2-NH2 2.99Å; R352-D354 PolarHBondContact O-N 2.97Å; R352-R431 PolarHBondContact O-NH2 3.02Å
353	I	94.9	Very high	92.7	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.041	15%	0.153	C	C	.	.			trans	-79.7	119.5	-173.2	-60.7	-177.3	0	0	0	109.8	N300 A326 L347 D350 C355 I356 I385	N300-I353 CarbonylContact O-C 3.54Å; N300-I353 WeakPolarHBondContact O-CA 3.24Å; A326-I353 HydrophobicContact CB-CD1 4.08Å; A326-I353 HydrophobicContact CB-CG1 3.71Å; L347-I353 HydrophobicContact CB-CD1 3.95Å; L347-I353 HydrophobicContact CD2-CD1 3.91Å; L347-I353 HydrophobicContact CG-CD1 4.39Å; D350-I353 HydrophobicContact CB-CD1 3.8Å; D350-I353 HydrophobicContact CB-CG1 3.96Å; D350-I353 PolarHBondContact O-N 3.42Å; D350-I353 VanDerWaalsContact O-N 3.15Å; I353-C355 VanDerWaalsContact CG2-O 3.27Å; I353-C355 WeakPolarHBondContact CG2-O 3.3Å; I353-I356 HydrophobicContact CG2-CG1 4.02Å; I353-I385 HydrophobicContact CB-CD1 4.28Å; I353-I385 HydrophobicContact CG2-CD1 3.56Å
354	D	95.1	Very high	92.2	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.118	19%	0.189	C	C	.	.	S	Bend	trans	-100.5	-23.6	176.5	-57.1	-54.2	0	0	0	111.7	N300 R352 P386 A427 I430 R431	N300-D354 WeakPolarHBondContact CB-OD2 3.46Å; N300-D354 PolarHBondContact ND2-OD2 2.88Å; N300-D354 PolarHBondContact O-N 2.88Å; R352-D354 PolarHBondContact O-N 2.97Å; D354-P386 WeakPolarHBondContact O-CD 3.32Å; D354-A427 HydrophobicContact CB-CB 4.13Å; D354-I430 HydrophobicContact CB-CB 4.29Å; D354-I430 HydrophobicContact CB-CD1 4.24Å; D354-I430 HydrophobicContact CB-CG2 4.28Å; D354-I430 WeakPolarHBondContact O-CD1 3.25Å; D354-R431 IonicContact OD2-CZ 3.56Å; D354-R431 IonicContact OD2-NE 3Å; D354-R431 PolarHBondContact OD2-NE 3.08Å; D354-R431 IonicContact OD2-NH2 2.72Å; D354-R431 PolarHBondContact OD2-NH2 3.44Å
355	C	95.6	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.5	177.3	-177.7	0	0	0	0	110.3	N300 I301 G302 I353 P386 K426 A427	N300-C355 PolarHBondContact O-N 2.68Å; I301-C355 CarbonylContact C-O 3.55Å; I301-C355 WeakPolarHBondContact CA-O 3.28Å; G302-C355 PolarHBondContact N-O 3.08Å; I353-C355 VanDerWaalsContact CG2-O 3.27Å; I353-C355 WeakPolarHBondContact CG2-O 3.3Å; C355-P386 WeakPolarHBondContact CA-O 3.21Å; C355-P386 PolarHBondContact SG-O 3.45Å; C355-K426 HydrophobicContact CB-CB 4.46Å; C355-A427 HydrophobicContact CB-CB 3.91Å
356	I	96.2	Very high	91.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.6	171.6	-61.4	171.6	0	0	0	109.5	G302 I304 F344 L347 I353 V358 V383 I385 P386 V387 V388	G302-I356 CarbonylContact O-C 3.58Å; G302-I356 WeakPolarHBondContact O-CA 3.47Å; I304-I356 HydrophobicContact CD1-CG2 4.21Å; I304-I356 HydrophobicContact CG1-CG2 4.1Å; F344-I356 HydrophobicContact CD1-CD1 3.92Å; F344-I356 HydrophobicContact CE1-CD1 4.11Å; F344-I356 HydrophobicContact CE1-CG2 4Å; L347-I356 HydrophobicContact CB-CD1 3.96Å; L347-I356 HydrophobicContact CB-CG1 4.49Å; L347-I356 HydrophobicContact CD1-CD1 4.12Å; L347-I356 HydrophobicContact CD1-CG1 4.1Å; L347-I356 HydrophobicContact CD1-CG2 3.88Å; I353-I356 HydrophobicContact CG2-CG1 4.02Å; I356-V358 HydrophobicContact CG2-CG2 4.09Å; I356-V383 HydrophobicContact CD1-CG1 4.05Å; I356-I385 HydrophobicContact CD1-CD1 3.9Å; I356-I385 HydrophobicContact CD1-CG1 4.34Å; I356-I385 HydrophobicContact CG1-CD1 3.73Å; I356-I385 HydrophobicContact CG1-CG1 4.42Å; I356-P386 PolarHBondContact N-O 2.8Å; I356-V387 HydrophobicContact CB-CG1 4.37Å; I356-V387 HydrophobicContact CB-CG2 4.41Å; I356-V387 HydrophobicContact CG2-CG1 4.44Å; I356-V387 CarbonylContact O-C 3.55Å; I356-V387 WeakPolarHBondContact O-CA 3.36Å; I356-V388 PolarHBondContact O-N 3.05Å
357	L	97.4	Very high	91.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.2	167.8	177.2	59.2	0	0	0	110.1	I301 G302 C303 I304 T314 I318 V388 A419 A423	I301-L357 HydrophobicContact CG2-CB 4.4Å; G302-L357 PolarHBondContact O-N 3.01Å; C303-L357 WeakPolarHBondContact CA-O 3.43Å; I304-L357 PolarHBondContact N-O 2.97Å; T314-L357 HydrophobicContact CG2-CD2 3.51Å; T314-L357 HydrophobicContact CG2-CG 4.25Å; I318-L357 HydrophobicContact CD1-CD2 3.85Å; I318-L357 HydrophobicContact CG1-CD2 4.05Å; L357-V388 WeakPolarHBondContact CA-O 3.32Å; L357-V388 HydrophobicContact CD1-CB 4.08Å; L357-V388 HydrophobicContact CD1-CG1 3.92Å; L357-A419 HydrophobicContact CD1-CB 3.56Å; L357-A423 HydrophobicContact CB-CB 4.08Å
358	V	96	Very high	91.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.4	172.1	-175.6	0	0	0	0	108.2	I304 F344 I356 I360 I370 V387 V388 V389 R390	I304-V358 HydrophobicContact CB-CG2 4.46Å; I304-V358 WeakPolarHBondContact O-CA 3.5Å; F344-V358 HydrophobicContact CE1-CG2 4.19Å; F344-V358 HydrophobicContact CZ-CG2 3.61Å; I356-V358 HydrophobicContact CG2-CG2 4.09Å; V358-I360 HydrophobicContact CG1-CG1 4.03Å; V358-I370 HydrophobicContact CG1-CG2 4.34Å; V358-V387 HydrophobicContact CG2-CG1 3.76Å; V358-V388 PolarHBondContact N-O 3.37Å; V358-V389 HydrophobicContact CB-CG1 4.24Å; V358-V389 HydrophobicContact CB-CG2 4.39Å; V358-V389 HydrophobicContact CG1-CG1 4.38Å; V358-V389 HydrophobicContact CG2-CG2 4.47Å; V358-V389 WeakPolarHBondContact O-CA 3.36Å; V358-R390 PolarHBondContact O-N 3.34Å
359	N	96.2	Very high	91.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.4	176.8	170.7	33.2	0	0	0	110.1	I304 V305 L310 T314 R390 L416	I304-N359 PolarHBondContact O-N 2.76Å; V305-N359 WeakPolarHBondContact CA-O 3.41Å; V305-N359 WeakPolarHBondContact CG1-O 3.28Å; V305-N359 HydrophobicContact CG2-CB 4.22Å; L310-N359 WeakPolarHBondContact CG-ND2 3.5Å; T314-N359 HydrophobicContact CG2-CB 4.26Å; T314-N359 PolarHBondContact OG1-ND2 3.39Å; N359-R390 VanDerWaalsContact OD1-CD 3.28Å; N359-R390 WeakPolarHBondContact OD1-CD 3.43Å; N359-R390 PolarHBondContact OD1-NH1 3.4Å; N359-L416 HydrophobicContact CB-CD1 4.07Å; N359-L416 VanDerWaalsContact CG-CD1 3.5Å; N359-L416 WeakPolarHBondContact ND2-CD1 3.19Å
360	I	95.1	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	179	-55.8	-62	0	0	0	110.6	N306 L331 V358 V365 I370 R390 L391 Q392	N306-I360 HydrophobicContact CB-CD1 3.95Å; N306-I360 VanDerWaalsContact OD1-CA 3.22Å; N306-I360 WeakPolarHBondContact OD1-CA 3.29Å; N306-I360 WeakPolarHBondContact OD1-CG2 3.27Å; L331-I360 HydrophobicContact CD1-CD1 3.91Å; V358-I360 HydrophobicContact CG1-CG1 4.03Å; I360-V365 HydrophobicContact CG2-CG1 3.97Å; I360-I370 HydrophobicContact CD1-CD1 4.42Å; I360-I370 HydrophobicContact CG1-CD1 4.47Å; I360-I370 HydrophobicContact CG1-CG1 4.13Å; I360-I370 HydrophobicContact CG1-CG2 3.98Å; I360-I370 HydrophobicContact CG2-CG1 4.15Å; I360-R390 PolarHBondContact N-O 2.64Å; I360-L391 HydrophobicContact CB-CD2 3.73Å; I360-L391 HydrophobicContact CG1-CD2 3.89Å; I360-Q392 PolarHBondContact O-N 2.95Å
361	F	92.5	Very high	91.9	Very high	116 Å²	116	32.2 Å²	32.2	51%	0.509	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	97.1	163.5	-158.3	-46.3	0	0	0	108.7	N306 L310 G363 Q392	N306-F361 PolarHBondContact ND2-O 2.9Å; N306-F361 PolarHBondContact OD1-N 2.71Å; L310-F361 HydrophobicContact CD2-CB 3.91Å; F361-G363 PolarHBondContact O-N 3.24Å; F361-G363 VanDerWaalsContact O-N 3.13Å; F361-Q392 CarbonylContact C-O 3.44Å
362	G	83.6	Confident	92	Very high	4 Å²	4	31.1 Å²	31.1	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	102.1	176.5	0	0	0	0	0	112.5	V365 Q392 G393 N394	G362-V365 WeakPolarHBondContact CA-O 3.4Å; G362-Q392 WeakPolarHBondContact CA-O 3.34Å; G362-Q392 PolarHBondContact N-O 3.47Å; G362-G393 CarbonylContact O-C 3.6Å; G362-G393 VanDerWaalsContact O-CA 3.3Å; G362-G393 WeakPolarHBondContact O-CA 3.09Å; G362-N394 PolarHBondContact O-N 3.31Å
363	G	85.4	Confident	91.9	Very high	51 Å²	51	27.7 Å²	27.7	53%	0.526	15%	0.15	S	C	.	.	S	Bend	trans	-97.2	-88.4	156.6	0	0	0	0	0	109.2	F361 V365 N394	F361-G363 PolarHBondContact O-N 3.24Å; F361-G363 VanDerWaalsContact O-N 3.13Å; G363-V365 VanDerWaalsContact C-N 3.35Å; G363-N394 WeakPolarHBondContact O-CB 3.35Å
364	I	83.5	Confident	91.6	Very high	147 Å²	147	27.3 Å²	27.3	75%	0.754	15%	0.148	S	C	*	.	S	Bend	trans	-74	-30.5	171.3	-58.2	172.1	0	0	0	110.9	N366	I364-N366 PolarHBondContact O-N 2.86Å
365	V	84.9	Confident	91.4	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.03	15%	0.147	C	C	.	.	S	Bend	trans	-69.5	127	175.3	176	0	0	0	0	109.5	N306 G333 V335 I360 G362 G363 I370	N306-V365 HydrophobicContact CB-CG2 4.15Å; G333-V365 VanDerWaalsContact O-CG2 3.26Å; G333-V365 WeakPolarHBondContact O-CG2 3.32Å; V335-V365 HydrophobicContact CG1-CG1 3.76Å; V335-V365 HydrophobicContact CG1-CG2 4.29Å; I360-V365 HydrophobicContact CG2-CG1 3.97Å; G362-V365 WeakPolarHBondContact CA-O 3.4Å; G363-V365 VanDerWaalsContact C-N 3.35Å; V365-I370 HydrophobicContact CG1-CD1 3.95Å; V365-I370 HydrophobicContact CG1-CG1 3.92Å
366	N	90.3	Very high	91.1	Very high	48 Å²	48	28.8 Å²	28.8	26%	0.257	16%	0.158	S	C	.	.			trans	-85.4	114.9	174.8	-176.2	-13.5	0	0	0	109.6	I364 K368 T369 I370 N395	I364-N366 PolarHBondContact O-N 2.86Å; N366-K368 PolarHBondContact O-N 2.69Å; N366-K368 VanDerWaalsContact OD1-CB 3.23Å; N366-K368 WeakPolarHBondContact OD1-CB 3.5Å; N366-K368 PolarHBondContact OD1-N 3.36Å; N366-T369 WeakPolarHBondContact O-CB 3.39Å; N366-T369 PolarHBondContact O-N 3.21Å; N366-T369 VanDerWaalsContact O-N 3.1Å; N366-I370 PolarHBondContact O-N 2.96Å; N366-N395 PolarHBondContact ND2-ND2 2.9Å; N366-N395 VanDerWaalsContact OD1-CB 3.32Å; N366-N395 WeakPolarHBondContact OD1-CB 3.29Å; N366-N395 PolarHBondContact OD1-ND2 3.25Å
367	C	93.3	Very high	90.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-28.2	-179.6	-70.1	0	0	0	0	112.6	I370 A371 L391 Q392 N394 A396 A399	C367-I370 WeakPolarHBondContact O-CB 3.36Å; C367-I370 PolarHBondContact O-N 3.03Å; C367-A371 PolarHBondContact O-N 2.88Å; C367-L391 HydrophobicContact CB-CB 4.26Å; C367-L391 HydrophobicContact CB-CD1 4.35Å; C367-Q392 PolarHBondContact SG-O 3.46Å; C367-N394 VanDerWaalsContact CB-O 3.25Å; C367-N394 WeakPolarHBondContact CB-O 3.47Å; C367-N394 PolarHBondContact N-O 2.9Å; C367-N394 PolarHBondContact SG-O 3.49Å; C367-N394 VanDerWaalsContact SG-O 3.42Å; C367-A396 HydrophobicContact CB-CB 4.4Å; C367-A399 VanDerWaalsContact C-CB 3.43Å; C367-A399 HydrophobicContact CB-CB 3.71Å; C367-A399 VanDerWaalsContact O-CB 3.32Å; C367-A399 WeakPolarHBondContact O-CB 3.38Å
368	K	93.1	Very high	90.1	Very high	70 Å²	70	30 Å²	30	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-61.1	-45.2	175.1	176.7	171.6	178.2	175.5	0	111.9	N366 I370 A371 E372 N395 L402	N366-K368 PolarHBondContact O-N 2.69Å; N366-K368 VanDerWaalsContact OD1-CB 3.23Å; N366-K368 WeakPolarHBondContact OD1-CB 3.5Å; N366-K368 PolarHBondContact OD1-N 3.36Å; K368-I370 PolarHBondContact O-N 2.86Å; K368-A371 PolarHBondContact O-N 3.13Å; K368-A371 VanDerWaalsContact O-N 3.14Å; K368-E372 WeakPolarHBondContact CE-OE1 3.43Å; K368-E372 HydrophobicContact CG-CG 4.43Å; K368-E372 WeakPolarHBondContact O-CG 3.48Å; K368-E372 PolarHBondContact O-N 3.12Å; K368-N395 HydrophobicContact CB-CB 4.33Å; K368-L402 HydrophobicContact CD-CD1 4.25Å; K368-L402 HydrophobicContact CG-CD1 3.68Å
369	T	91.7	Very high	89.6	Confident	31 Å²	31	36.6 Å²	36.6	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-36	177.2	-56.7	0	0	0	0	111.7	N366 G373	N366-T369 WeakPolarHBondContact O-CB 3.39Å; N366-T369 PolarHBondContact O-N 3.21Å; N366-T369 VanDerWaalsContact O-N 3.1Å; T369-G373 PolarHBondContact O-N 3.36Å; T369-G373 VanDerWaalsContact O-N 3.12Å
370	I	91.5	Very high	89	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-50.6	173	-56.3	-61.1	0	0	0	110.9	L331 V335 V340 V358 I360 V365 N366 C367 K368 E372 G373 L374 L391	L331-I370 HydrophobicContact CD1-CD1 4.03Å; V335-I370 HydrophobicContact CG1-CD1 3.49Å; V335-I370 VanDerWaalsContact CG1-CD1 3.49Å; V340-I370 HydrophobicContact CG2-CD1 3.66Å; V358-I370 HydrophobicContact CG1-CG2 4.34Å; I360-I370 HydrophobicContact CD1-CD1 4.42Å; I360-I370 HydrophobicContact CG1-CD1 4.47Å; I360-I370 HydrophobicContact CG1-CG1 4.13Å; I360-I370 HydrophobicContact CG1-CG2 3.98Å; I360-I370 HydrophobicContact CG2-CG1 4.15Å; V365-I370 HydrophobicContact CG1-CD1 3.95Å; V365-I370 HydrophobicContact CG1-CG1 3.92Å; N366-I370 PolarHBondContact O-N 2.96Å; C367-I370 WeakPolarHBondContact O-CB 3.36Å; C367-I370 PolarHBondContact O-N 3.03Å; K368-I370 PolarHBondContact O-N 2.86Å; I370-E372 VanDerWaalsContact C-N 3.3Å; I370-E372 PolarHBondContact O-N 2.98Å; I370-G373 PolarHBondContact O-N 3.06Å; I370-G373 VanDerWaalsContact O-N 3.17Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 PolarHBondContact O-N 3.38Å; I370-L391 HydrophobicContact CG2-CD2 4.05Å
371	A	92.1	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-42.6	-179.7	0	0	0	0	0	111.5	C367 K368 G373 L374 I375 L391 A399 L402 I403	C367-A371 PolarHBondContact O-N 2.88Å; K368-A371 PolarHBondContact O-N 3.13Å; K368-A371 VanDerWaalsContact O-N 3.14Å; A371-G373 PolarHBondContact O-N 3.41Å; A371-L374 PolarHBondContact O-N 2.91Å; A371-I375 WeakPolarHBondContact O-CB 3.36Å; A371-I375 WeakPolarHBondContact O-CD1 3.42Å; A371-I375 WeakPolarHBondContact O-CG1 3.45Å; A371-I375 PolarHBondContact O-N 3.29Å; A371-L391 HydrophobicContact CB-CD1 4.31Å; A371-A399 HydrophobicContact CB-CB 3.85Å; A371-L402 HydrophobicContact CB-CB 4.47Å; A371-I403 HydrophobicContact CB-CD1 4.11Å; A371-I403 HydrophobicContact CB-CG1 4Å
372	E	92	Very high	87.4	Confident	78 Å²	78	40 Å²	40	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-45.7	174.7	-72.2	168.1	171.3	0	0	112	T337 K368 I370 I375 S376 L402	T337-E372 HydrophobicContact CG2-CB 4.4Å; K368-E372 WeakPolarHBondContact CE-OE1 3.43Å; K368-E372 HydrophobicContact CG-CG 4.43Å; K368-E372 WeakPolarHBondContact O-CG 3.48Å; K368-E372 PolarHBondContact O-N 3.12Å; I370-E372 VanDerWaalsContact C-N 3.3Å; I370-E372 PolarHBondContact O-N 2.98Å; E372-I375 PolarHBondContact O-N 3.2Å; E372-S376 WeakPolarHBondContact O-CB 3.44Å; E372-S376 PolarHBondContact O-N 3.35Å; E372-L402 HydrophobicContact CG-CD1 4.36Å
373	G	89.9	Confident	87.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-39.6	178.3	0	0	0	0	0	113	T369 I370 A371 S376 A377	T369-G373 PolarHBondContact O-N 3.36Å; T369-G373 VanDerWaalsContact O-N 3.12Å; I370-G373 PolarHBondContact O-N 3.06Å; I370-G373 VanDerWaalsContact O-N 3.17Å; A371-G373 PolarHBondContact O-N 3.41Å; G373-S376 PolarHBondContact O-N 2.82Å; G373-A377 WeakPolarHBondContact O-CB 3.34Å; G373-A377 PolarHBondContact O-N 2.8Å
374	L	88.9	Confident	87	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-50.3	174.3	170.6	67.2	0	0	0	111.6	F344 I370 A371 S376 A377 L378 V387 V389 I403 L410	F344-L374 HydrophobicContact CE1-CD1 3.69Å; F344-L374 HydrophobicContact CE2-CB 4.14Å; F344-L374 HydrophobicContact CE2-CD1 3.64Å; F344-L374 HydrophobicContact CZ-CB 4.43Å; F344-L374 HydrophobicContact CZ-CD1 3.14Å; F344-L374 HydrophobicContact CZ-CG 4.34Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 PolarHBondContact O-N 3.38Å; A371-L374 PolarHBondContact O-N 2.91Å; L374-S376 VanDerWaalsContact C-N 3.3Å; L374-S376 PolarHBondContact O-N 2.77Å; L374-A377 PolarHBondContact O-N 2.96Å; L374-L378 HydrophobicContact CD1-CD1 3.81Å; L374-L378 HydrophobicContact CG-CD1 4.1Å; L374-L378 PolarHBondContact O-N 3.38Å; L374-L378 VanDerWaalsContact O-N 3.08Å; L374-V387 HydrophobicContact CD1-CG1 4.01Å; L374-V389 HydrophobicContact CD2-CG1 4.28Å; L374-V389 HydrophobicContact CD2-CG2 3.68Å; L374-I403 HydrophobicContact CD2-CD1 4.1Å; L374-I403 HydrophobicContact CD2-CG1 4.43Å; L374-L410 HydrophobicContact CD1-CD2 3.98Å; L374-L410 HydrophobicContact CD2-CD1 3.57Å; L374-L410 HydrophobicContact CD2-CD2 3.81Å; L374-L410 HydrophobicContact CD2-CG 4.33Å; L374-L410 HydrophobicContact CG-CD1 3.94Å; L374-L410 HydrophobicContact CG-CD2 4.09Å
375	I	90.6	Very high	87.2	Confident	19 Å²	19	40 Å²	40	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-42.4	179.3	-70.1	163.6	0	0	0	110.2	A371 E372 L378 K379 L402 L408	A371-I375 WeakPolarHBondContact O-CB 3.36Å; A371-I375 WeakPolarHBondContact O-CD1 3.42Å; A371-I375 WeakPolarHBondContact O-CG1 3.45Å; A371-I375 PolarHBondContact O-N 3.29Å; E372-I375 PolarHBondContact O-N 3.2Å; I375-L378 PolarHBondContact O-N 2.67Å; I375-K379 HydrophobicContact CG2-CD 3.9Å; I375-K379 HydrophobicContact CG2-CG 4.36Å; I375-K379 WeakPolarHBondContact O-CB 3.45Å; I375-K379 WeakPolarHBondContact O-CG 3.27Å; I375-K379 PolarHBondContact O-N 3.43Å; I375-L402 HydrophobicContact CD1-CB 4.1Å; I375-L402 WeakPolarHBondContact CD1-O 3.43Å; I375-L408 HydrophobicContact CB-CD1 4.19Å; I375-L408 HydrophobicContact CG1-CD1 4.2Å; I375-L408 HydrophobicContact CG2-CD1 3.95Å
376	S	88.9	Confident	87.6	Confident	33 Å²	33	41 Å²	41	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-45.9	176.6	-174	0	0	0	0	111.9	E341 E372 G373 L374 L378 K379 N380	E341-S376 WeakPolarHBondContact OE1-CB 3.28Å; E341-S376 PolarHBondContact OE1-OG 3.33Å; E372-S376 WeakPolarHBondContact O-CB 3.44Å; E372-S376 PolarHBondContact O-N 3.35Å; G373-S376 PolarHBondContact O-N 2.82Å; L374-S376 VanDerWaalsContact C-N 3.3Å; L374-S376 PolarHBondContact O-N 2.77Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 2.87Å; S376-K379 PolarHBondContact O-N 2.8Å; S376-N380 PolarHBondContact O-N 3.37Å; S376-N380 PolarHBondContact O-ND2 2.82Å; S376-N380 VanDerWaalsContact O-ND2 3.13Å
377	A	86.2	Confident	87.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-43.7	178.5	0	0	0	0	0	112.4	F344 G373 L374 I382	F344-A377 HydrophobicContact CB-CB 3.73Å; F344-A377 HydrophobicContact CD2-CB 3.92Å; F344-A377 HydrophobicContact CG-CB 3.88Å; G373-A377 WeakPolarHBondContact O-CB 3.34Å; G373-A377 PolarHBondContact O-N 2.8Å; L374-A377 PolarHBondContact O-N 2.96Å; A377-I382 HydrophobicContact CB-CD1 4.46Å; A377-I382 WeakPolarHBondContact O-CB 3.42Å; A377-I382 WeakPolarHBondContact O-CD1 3.37Å; A377-I382 PolarHBondContact O-N 3.29Å
378	L	86.4	Confident	87.9	Confident	26 Å²	26	38.7 Å²	38.7	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-43.4	179.1	-78.4	159.6	0	0	0	112.9	L374 I375 S376 N380 G381 V383 V387 L408 L410	L374-L378 HydrophobicContact CD1-CD1 3.81Å; L374-L378 HydrophobicContact CG-CD1 4.1Å; L374-L378 PolarHBondContact O-N 3.38Å; L374-L378 VanDerWaalsContact O-N 3.08Å; I375-L378 PolarHBondContact O-N 2.67Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 2.87Å; L378-N380 PolarHBondContact O-N 3.46Å; L378-G381 PolarHBondContact O-N 2.97Å; L378-V383 HydrophobicContact CD2-CB 3.91Å; L378-V383 HydrophobicContact CD2-CG1 4.23Å; L378-V387 HydrophobicContact CD2-CG2 4.49Å; L378-L408 HydrophobicContact CB-CD1 3.69Å; L378-L408 HydrophobicContact CB-CD2 4.21Å; L378-L408 HydrophobicContact CB-CG 4.48Å; L378-L408 HydrophobicContact CD1-CD1 4.08Å; L378-L410 HydrophobicContact CD1-CD1 3.92Å; L378-L410 HydrophobicContact CD1-CD2 3.32Å; L378-L410 HydrophobicContact CD1-CG 3.74Å
379	K	86.5	Confident	88	Confident	139 Å²	139	35.5 Å²	35.5	60%	0.604	20%	0.196	S	C	*	.	H	α-helix	trans	-61.3	-30.1	178.4	-78.7	-178.7	177.1	178.8	0	113.2	I375 S376 G381 L408	I375-K379 HydrophobicContact CG2-CD 3.9Å; I375-K379 HydrophobicContact CG2-CG 4.36Å; I375-K379 WeakPolarHBondContact O-CB 3.45Å; I375-K379 WeakPolarHBondContact O-CG 3.27Å; I375-K379 PolarHBondContact O-N 3.43Å; S376-K379 PolarHBondContact O-N 2.8Å; K379-G381 PolarHBondContact O-N 2.79Å; K379-L408 HydrophobicContact CG-CD1 4.33Å; K379-L408 HydrophobicContact CG-CD2 4.34Å
380	N	83.1	Confident	88.2	Confident	110 Å²	110	35.4 Å²	35.4	59%	0.588	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	5.2	176.9	-67.7	-28.9	0	0	0	113.4	S376 L378 I382	S376-N380 PolarHBondContact O-N 3.37Å; S376-N380 PolarHBondContact O-ND2 2.82Å; S376-N380 VanDerWaalsContact O-ND2 3.13Å; L378-N380 PolarHBondContact O-N 3.46Å; N380-I382 VanDerWaalsContact C-N 3.26Å; N380-I382 HydrophobicContact CB-CD1 3.68Å; N380-I382 HydrophobicContact CB-CG1 3.99Å; N380-I382 PolarHBondContact O-N 3.05Å
381	G	79.4	Confident	88.4	Confident	46 Å²	46	35.6 Å²	35.6	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	21.9	176.7	0	0	0	0	0	113.9	L378 K379	L378-G381 PolarHBondContact O-N 2.97Å; K379-G381 PolarHBondContact O-N 2.79Å
382	I	74.5	Confident	88.5	Confident	32 Å²	32	38.2 Å²	38.2	16%	0.164	21%	0.205	C	C	.	.			trans	-76.6	-32.5	-175.8	-62.2	157.6	0	0	0	110.8	H345 A348 A377 N380	H345-I382 HydrophobicContact CB-CG2 4.49Å; H345-I382 WeakPolarHBondContact CE1-CD1 3.41Å; H345-I382 WeakPolarHBondContact CE1-CG1 3.44Å; H345-I382 WeakPolarHBondContact ND1-CG2 3.36Å; H345-I382 WeakPolarHBondContact NE2-CD1 3.46Å; A348-I382 HydrophobicContact CB-CG2 3.95Å; A348-I382 WeakPolarHBondContact CB-O 3.41Å; A377-I382 HydrophobicContact CB-CD1 4.46Å; A377-I382 WeakPolarHBondContact O-CB 3.42Å; A377-I382 WeakPolarHBondContact O-CD1 3.37Å; A377-I382 PolarHBondContact O-N 3.29Å; N380-I382 VanDerWaalsContact C-N 3.26Å; N380-I382 HydrophobicContact CB-CD1 3.68Å; N380-I382 HydrophobicContact CB-CG1 3.99Å; N380-I382 PolarHBondContact O-N 3.05Å
383	V	78.6	Confident	88.6	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.055	21%	0.206	C	C	.	.			trans	-123.4	119.8	-172.4	-176.8	0	0	0	0	108.8	F344 A348 I356 L378 I385 V387	F344-V383 HydrophobicContact CB-CG2 4.06Å; F344-V383 HydrophobicContact CD1-CG2 3.81Å; F344-V383 HydrophobicContact CG-CG2 4.3Å; A348-V383 HydrophobicContact CB-CG2 4.41Å; I356-V383 HydrophobicContact CD1-CG1 4.05Å; L378-V383 HydrophobicContact CD2-CB 3.91Å; L378-V383 HydrophobicContact CD2-CG1 4.23Å; V383-I385 HydrophobicContact CG1-CG1 3.67Å; V383-V387 HydrophobicContact CG1-CG2 3.93Å
384	N	81.3	Confident	88.7	Confident	150 Å²	150	39.5 Å²	39.5	80%	0.802	22%	0.224	S	C	*	.			trans	-116	17.2	178.6	-61.3	-45.7	0	0	0	112.4
385	I	89	Confident	89	Confident	43 Å²	43	42.2 Å²	42.2	22%	0.221	24%	0.238	C	C	.	.	S	Bend	trans	-115.9	153	-178.5	52.9	170.6	0	0	0	109.9	I353 I356 V383 V387	I353-I385 HydrophobicContact CB-CD1 4.28Å; I353-I385 HydrophobicContact CG2-CD1 3.56Å; I356-I385 HydrophobicContact CD1-CD1 3.9Å; I356-I385 HydrophobicContact CD1-CG1 4.34Å; I356-I385 HydrophobicContact CG1-CD1 3.73Å; I356-I385 HydrophobicContact CG1-CG1 4.42Å; V383-I385 HydrophobicContact CG1-CG1 3.67Å; I385-V387 PolarHBondContact O-N 2.89Å
386	P	92.7	Very high	89.1	Confident	25 Å²	25	41.6 Å²	41.6	16%	0.162	24%	0.236	C	C	.	.			trans	-54.4	134.2	178.1	-27.1	34.5	0	0	0	112.4	D354 C355 I356 K426 I430	D354-P386 WeakPolarHBondContact O-CD 3.32Å; C355-P386 WeakPolarHBondContact CA-O 3.21Å; C355-P386 PolarHBondContact SG-O 3.45Å; I356-P386 PolarHBondContact N-O 2.8Å; P386-K426 HydrophobicContact CB-CB 4.2Å; P386-K426 HydrophobicContact CB-CD 4.38Å; P386-K426 HydrophobicContact CB-CG 4.28Å; P386-I430 HydrophobicContact CG-CD1 3.64Å; P386-I430 HydrophobicContact CG-CG1 4.5Å
387	V	94.4	Very high	89.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.3	175.3	-171.5	0	0	0	0	109.4	F344 I356 V358 L374 L378 V383 I385 V389 L410 I411	F344-V387 HydrophobicContact CE1-CG1 4.27Å; I356-V387 HydrophobicContact CB-CG1 4.37Å; I356-V387 HydrophobicContact CB-CG2 4.41Å; I356-V387 HydrophobicContact CG2-CG1 4.44Å; I356-V387 CarbonylContact O-C 3.55Å; I356-V387 WeakPolarHBondContact O-CA 3.36Å; V358-V387 HydrophobicContact CG2-CG1 3.76Å; L374-V387 HydrophobicContact CD1-CG1 4.01Å; L378-V387 HydrophobicContact CD2-CG2 4.49Å; V383-V387 HydrophobicContact CG1-CG2 3.93Å; I385-V387 PolarHBondContact O-N 2.89Å; V387-V389 HydrophobicContact CG1-CG2 3.79Å; V387-L410 HydrophobicContact CB-CD2 3.7Å; V387-L410 HydrophobicContact CG1-CD2 4.02Å; V387-L410 HydrophobicContact CG2-CD2 4.4Å; V387-I411 PolarHBondContact O-N 2.99Å
388	V	95.6	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.4	170.8	-179.1	0	0	0	0	108.2	I356 L357 V358 I411 V413 A419 L422 A423	I356-V388 PolarHBondContact O-N 3.05Å; L357-V388 WeakPolarHBondContact CA-O 3.32Å; L357-V388 HydrophobicContact CD1-CB 4.08Å; L357-V388 HydrophobicContact CD1-CG1 3.92Å; V358-V388 PolarHBondContact N-O 3.37Å; V388-I411 WeakPolarHBondContact CA-O 3.49Å; V388-I411 HydrophobicContact CG2-CB 4.43Å; V388-I411 HydrophobicContact CG2-CD1 4.29Å; V388-V413 HydrophobicContact CG1-CG2 4.01Å; V388-A419 HydrophobicContact CG1-CB 4.13Å; V388-L422 HydrophobicContact CG1-CD2 4.38Å; V388-L422 HydrophobicContact CG2-CD2 4.41Å; V388-L422 HydrophobicContact CG2-CG 4.17Å; V388-A423 HydrophobicContact CB-CB 4.4Å; V388-A423 HydrophobicContact CG2-CB 4.2Å
389	V	95.5	Very high	90	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.3	-171.4	-171.7	0	0	0	0	110	V358 L374 V387 L391 I403 L410 I411 A412 V413	V358-V389 HydrophobicContact CB-CG1 4.24Å; V358-V389 HydrophobicContact CB-CG2 4.39Å; V358-V389 HydrophobicContact CG1-CG1 4.38Å; V358-V389 HydrophobicContact CG2-CG2 4.47Å; V358-V389 WeakPolarHBondContact O-CA 3.36Å; L374-V389 HydrophobicContact CD2-CG1 4.28Å; L374-V389 HydrophobicContact CD2-CG2 3.68Å; V387-V389 HydrophobicContact CG1-CG2 3.79Å; V389-L391 HydrophobicContact CG1-CD1 4.27Å; V389-L391 HydrophobicContact CG1-CD2 3.9Å; V389-L391 HydrophobicContact CG1-CG 3.75Å; V389-I403 HydrophobicContact CG1-CD1 4Å; V389-L410 HydrophobicContact CG2-CD2 4.02Å; V389-I411 PolarHBondContact N-O 3.49Å; V389-A412 CarbonylContact O-C 3.33Å; V389-A412 VanDerWaalsContact O-CA 3.31Å; V389-A412 WeakPolarHBondContact O-CA 3.32Å; V389-V413 PolarHBondContact O-N 2.87Å
390	R	96	Very high	90.1	Very high	30 Å²	30	46 Å²	46	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	110	170.6	-173.3	-89.8	-173.9	172.1	-0.9	108.8	V358 N359 I360 Q392 V413 N414 A419	V358-R390 PolarHBondContact O-N 3.34Å; N359-R390 VanDerWaalsContact OD1-CD 3.28Å; N359-R390 WeakPolarHBondContact OD1-CD 3.43Å; N359-R390 PolarHBondContact OD1-NH1 3.4Å; I360-R390 PolarHBondContact N-O 2.64Å; R390-Q392 VanDerWaalsContact NH2-CG 3.34Å; R390-V413 HydrophobicContact CB-CG2 4.11Å; R390-N414 PolarHBondContact NE-O 3Å; R390-A419 HydrophobicContact CB-CB 3.93Å; R390-A419 HydrophobicContact CG-CB 4.49Å
391	L	94.8	Very high	90.5	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.6	175.6	-54.6	-178	0	0	0	109.3	I360 C367 I370 A371 V389 A399 Q400 I403	I360-L391 HydrophobicContact CB-CD2 3.73Å; I360-L391 HydrophobicContact CG1-CD2 3.89Å; C367-L391 HydrophobicContact CB-CB 4.26Å; C367-L391 HydrophobicContact CB-CD1 4.35Å; I370-L391 HydrophobicContact CG2-CD2 4.05Å; A371-L391 HydrophobicContact CB-CD1 4.31Å; V389-L391 HydrophobicContact CG1-CD1 4.27Å; V389-L391 HydrophobicContact CG1-CD2 3.9Å; V389-L391 HydrophobicContact CG1-CG 3.75Å; L391-A399 HydrophobicContact CD1-CB 3.54Å; L391-Q400 PolarHBondContact O-NE2 3.22Å; L391-I403 HydrophobicContact CD1-CD1 3.73Å
392	Q	94.6	Very high	91.2	Very high	55 Å²	55	44.2 Å²	44.2	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.1	176	-71.3	-63.3	-32.6	0	0	111	I360 F361 G362 C367 R390 N414	I360-Q392 PolarHBondContact O-N 2.95Å; F361-Q392 CarbonylContact C-O 3.44Å; G362-Q392 WeakPolarHBondContact CA-O 3.34Å; G362-Q392 PolarHBondContact N-O 3.47Å; C367-Q392 PolarHBondContact SG-O 3.46Å; R390-Q392 VanDerWaalsContact NH2-CG 3.34Å; Q392-N414 PolarHBondContact NE2-O 3.01Å
393	G	93	Very high	91.9	Very high	38 Å²	38	43 Å²	43	39%	0.392	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-139.3	178	0	0	0	0	0	114.2	G362 N395 A396	G362-G393 CarbonylContact O-C 3.6Å; G362-G393 VanDerWaalsContact O-CA 3.3Å; G362-G393 WeakPolarHBondContact O-CA 3.09Å; G393-N395 PolarHBondContact O-N 3.27Å; G393-A396 VanDerWaalsContact O-CB 3.28Å; G393-A396 WeakPolarHBondContact O-CB 2.92Å; G393-A396 PolarHBondContact O-N 3.21Å; G393-A396 VanDerWaalsContact O-N 3.08Å
394	N	93.8	Very high	92.4	Very high	67 Å²	67	47 Å²	47	36%	0.358	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	119.3	-169.1	-173	14	0	0	0	113.2	G362 G363 C367 A396	G362-N394 PolarHBondContact O-N 3.31Å; G363-N394 WeakPolarHBondContact O-CB 3.35Å; C367-N394 VanDerWaalsContact CB-O 3.25Å; C367-N394 WeakPolarHBondContact CB-O 3.47Å; C367-N394 PolarHBondContact N-O 2.9Å; C367-N394 PolarHBondContact SG-O 3.49Å; C367-N394 VanDerWaalsContact SG-O 3.42Å; N394-A396 PolarHBondContact O-N 3.28Å
395	N	94	Very high	92.9	Very high	57 Å²	57	46.4 Å²	46.4	31%	0.305	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	27.6	-175.1	-60.1	-30	0	0	0	115	N366 K368 G393 I397 E398 A399	N366-N395 PolarHBondContact ND2-ND2 2.9Å; N366-N395 VanDerWaalsContact OD1-CB 3.32Å; N366-N395 WeakPolarHBondContact OD1-CB 3.29Å; N366-N395 PolarHBondContact OD1-ND2 3.25Å; K368-N395 HydrophobicContact CB-CB 4.33Å; G393-N395 PolarHBondContact O-N 3.27Å; N395-I397 VanDerWaalsContact C-N 3.3Å; N395-I397 PolarHBondContact O-N 3.02Å; N395-E398 PolarHBondContact O-N 3.43Å; N395-A399 WeakPolarHBondContact O-CB 3.31Å; N395-A399 PolarHBondContact O-N 3.33Å
396	A	93.6	Very high	92.8	Very high	7 Å²	7	45.5 Å²	45.5	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-38.2	178.4	0	0	0	0	0	112.7	C367 G393 N394 A399 Q400	C367-A396 HydrophobicContact CB-CB 4.4Å; G393-A396 VanDerWaalsContact O-CB 3.28Å; G393-A396 WeakPolarHBondContact O-CB 2.92Å; G393-A396 PolarHBondContact O-N 3.21Å; G393-A396 VanDerWaalsContact O-N 3.08Å; N394-A396 PolarHBondContact O-N 3.28Å; A396-A399 PolarHBondContact O-N 3.26Å; A396-Q400 VanDerWaalsContact O-CG 3.29Å; A396-Q400 WeakPolarHBondContact O-CG 3.4Å; A396-Q400 PolarHBondContact O-N 3.35Å
397	I	92.4	Very high	92.5	Very high	135 Å²	135	47.9 Å²	47.9	69%	0.692	29%	0.287	S	S	*	.	H	α-helix	trans	-62.6	-50.1	178.2	-61.8	173.5	0	0	0	110.7	N395 A399 Q400 S401	N395-I397 VanDerWaalsContact C-N 3.3Å; N395-I397 PolarHBondContact O-N 3.02Å; I397-A399 VanDerWaalsContact C-N 3.28Å; I397-A399 PolarHBondContact O-N 2.81Å; I397-Q400 PolarHBondContact O-N 3.18Å; I397-S401 PolarHBondContact O-N 2.93Å; I397-S401 PolarHBondContact O-OG 3.18Å
398	E	93.5	Very high	92	Very high	94 Å²	94	50.2 Å²	50.2	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-40.1	177.2	-65	-176.9	-169.2	0	0	111.8	N395 S401 L402	N395-E398 PolarHBondContact O-N 3.43Å; E398-S401 PolarHBondContact O-N 2.91Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 3.01Å
399	A	93.4	Very high	91.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.4	-40.2	177.6	0	0	0	0	0	112.4	C367 A371 L391 N395 A396 I397 L402 I403	C367-A399 VanDerWaalsContact C-CB 3.43Å; C367-A399 HydrophobicContact CB-CB 3.71Å; C367-A399 VanDerWaalsContact O-CB 3.32Å; C367-A399 WeakPolarHBondContact O-CB 3.38Å; A371-A399 HydrophobicContact CB-CB 3.85Å; L391-A399 HydrophobicContact CD1-CB 3.54Å; N395-A399 WeakPolarHBondContact O-CB 3.31Å; N395-A399 PolarHBondContact O-N 3.33Å; A396-A399 PolarHBondContact O-N 3.26Å; I397-A399 VanDerWaalsContact C-N 3.28Å; I397-A399 PolarHBondContact O-N 2.81Å; A399-L402 PolarHBondContact O-N 3.41Å; A399-I403 WeakPolarHBondContact O-CG1 3.41Å; A399-I403 PolarHBondContact O-N 3.3Å
400	Q	89.7	Confident	91.1	Very high	60 Å²	60	58.7 Å²	58.7	28%	0.28	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.5	-73.6	174.7	21.5	0	0	111.1	L391 A396 I397 L402 I403 S404	L391-Q400 PolarHBondContact O-NE2 3.22Å; A396-Q400 VanDerWaalsContact O-CG 3.29Å; A396-Q400 WeakPolarHBondContact O-CG 3.4Å; A396-Q400 PolarHBondContact O-N 3.35Å; I397-Q400 PolarHBondContact O-N 3.18Å; Q400-L402 VanDerWaalsContact C-N 3.34Å; Q400-L402 PolarHBondContact O-N 2.82Å; Q400-I403 PolarHBondContact O-N 3.07Å; Q400-S404 PolarHBondContact O-N 3.23Å; Q400-S404 PolarHBondContact O-OG 3.43Å
401	S	91.7	Very high	90.7	Very high	60 Å²	60	59 Å²	59	42%	0.42	34%	0.343	S	S	.	.	H	α-helix	trans	-57.9	-45.6	174.4	-60.6	0	0	0	0	111.9	I397 E398 I403 S404 D405	I397-S401 PolarHBondContact O-N 2.93Å; I397-S401 PolarHBondContact O-OG 3.18Å; E398-S401 PolarHBondContact O-N 2.91Å; S401-I403 VanDerWaalsContact C-N 3.3Å; S401-I403 PolarHBondContact O-N 3.37Å; S401-S404 PolarHBondContact O-N 3.39Å; S401-D405 WeakPolarHBondContact O-CB 3.46Å; S401-D405 PolarHBondContact O-N 3Å
402	L	92.3	Very high	90.6	Very high	60 Å²	60	61.4 Å²	61.4	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-39.4	176.4	-74.6	171.8	0	0	0	113	K368 A371 E372 I375 E398 A399 Q400 S406	K368-L402 HydrophobicContact CD-CD1 4.25Å; K368-L402 HydrophobicContact CG-CD1 3.68Å; A371-L402 HydrophobicContact CB-CB 4.47Å; E372-L402 HydrophobicContact CG-CD1 4.36Å; I375-L402 HydrophobicContact CD1-CB 4.1Å; I375-L402 WeakPolarHBondContact CD1-O 3.43Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 3.01Å; A399-L402 PolarHBondContact O-N 3.41Å; Q400-L402 VanDerWaalsContact C-N 3.34Å; Q400-L402 PolarHBondContact O-N 2.82Å; L402-S406 WeakPolarHBondContact O-CB 3.5Å; L402-S406 PolarHBondContact O-N 3.07Å
403	I	90.5	Very high	90.5	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.036	35%	0.353	C	S	.	.	H	α-helix	trans	-65.9	-49	177	-74.1	169.7	0	0	0	110.1	A371 L374 V389 L391 A399 Q400 S401 D405 S406 L410	A371-I403 HydrophobicContact CB-CD1 4.11Å; A371-I403 HydrophobicContact CB-CG1 4Å; L374-I403 HydrophobicContact CD2-CD1 4.1Å; L374-I403 HydrophobicContact CD2-CG1 4.43Å; V389-I403 HydrophobicContact CG1-CD1 4Å; L391-I403 HydrophobicContact CD1-CD1 3.73Å; A399-I403 WeakPolarHBondContact O-CG1 3.41Å; A399-I403 PolarHBondContact O-N 3.3Å; Q400-I403 PolarHBondContact O-N 3.07Å; S401-I403 VanDerWaalsContact C-N 3.3Å; S401-I403 PolarHBondContact O-N 3.37Å; I403-D405 VanDerWaalsContact C-N 3.31Å; I403-D405 PolarHBondContact O-N 3.35Å; I403-S406 WeakPolarHBondContact O-CB 3.43Å; I403-S406 PolarHBondContact O-N 3.49Å; I403-S406 PolarHBondContact O-OG 2.88Å; I403-L410 HydrophobicContact CB-CD1 4.32Å; I403-L410 HydrophobicContact CG1-CD1 4.05Å; I403-L410 HydrophobicContact CG2-CB 3.63Å; I403-L410 HydrophobicContact CG2-CD1 3.68Å; I403-L410 HydrophobicContact CG2-CG 4.3Å
404	S	88.8	Confident	90.3	Very high	93 Å²	93	62.1 Å²	62.1	65%	0.65	36%	0.36	S	S	*	.	H	α-helix	trans	-59.4	-40.6	178.1	-61.5	0	0	0	0	112.6	Q400 S401 S406	Q400-S404 PolarHBondContact O-N 3.23Å; Q400-S404 PolarHBondContact O-OG 3.43Å; S401-S404 PolarHBondContact O-N 3.39Å; S404-S406 VanDerWaalsContact C-N 3.3Å; S404-S406 PolarHBondContact O-N 2.89Å
405	D	91.1	Very high	90.3	Very high	137 Å²	137	61.4 Å²	61.4	73%	0.733	36%	0.36	S	S	*	.	H	α-helix	trans	-78.1	-12.3	-178.1	-66.6	-18.3	0	0	0	113.6	S401 I403 G407	S401-D405 WeakPolarHBondContact O-CB 3.46Å; S401-D405 PolarHBondContact O-N 3Å; I403-D405 VanDerWaalsContact C-N 3.31Å; I403-D405 PolarHBondContact O-N 3.35Å; D405-G407 VanDerWaalsContact C-N 3.3Å; D405-G407 PolarHBondContact O-N 3.06Å
406	S	88.4	Confident	90.4	Very high	23 Å²	23	60.4 Å²	60.4	16%	0.161	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.8	-174.3	71.5	0	0	0	0	114.6	L402 I403 S404 L408	L402-S406 WeakPolarHBondContact O-CB 3.5Å; L402-S406 PolarHBondContact O-N 3.07Å; I403-S406 WeakPolarHBondContact O-CB 3.43Å; I403-S406 PolarHBondContact O-N 3.49Å; I403-S406 PolarHBondContact O-OG 2.88Å; S404-S406 VanDerWaalsContact C-N 3.3Å; S404-S406 PolarHBondContact O-N 2.89Å; S406-L408 PolarHBondContact O-N 3.24Å; S406-L408 WeakPolarHBondContact OG-CB 3.41Å; S406-L408 PolarHBondContact OG-N 3.46Å
407	G	84.9	Confident	90.6	Very high	76 Å²	76	64.2 Å²	64.2	78%	0.784	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	16.9	-173.5	0	0	0	0	0	114.2	D405	D405-G407 VanDerWaalsContact C-N 3.3Å; D405-G407 PolarHBondContact O-N 3.06Å
408	L	85.1	Confident	90.8	Very high	49 Å²	49	61.9 Å²	61.9	26%	0.257	36%	0.358	S	S	.	.	S	Bend	trans	-94.5	151.6	178.2	-62	171	0	0	0	110.5	I375 L378 K379 S406 L410	I375-L408 HydrophobicContact CB-CD1 4.19Å; I375-L408 HydrophobicContact CG1-CD1 4.2Å; I375-L408 HydrophobicContact CG2-CD1 3.95Å; L378-L408 HydrophobicContact CB-CD1 3.69Å; L378-L408 HydrophobicContact CB-CD2 4.21Å; L378-L408 HydrophobicContact CB-CG 4.48Å; L378-L408 HydrophobicContact CD1-CD1 4.08Å; K379-L408 HydrophobicContact CG-CD1 4.33Å; K379-L408 HydrophobicContact CG-CD2 4.34Å; S406-L408 PolarHBondContact O-N 3.24Å; S406-L408 WeakPolarHBondContact OG-CB 3.41Å; S406-L408 PolarHBondContact OG-N 3.46Å; L408-L410 HydrophobicContact CB-CD1 4.36Å; L408-L410 HydrophobicContact CB-CG 4.24Å; L408-L410 PolarHBondContact O-N 2.86Å
409	E	82.8	Confident	90.9	Very high	157 Å²	157	57.4 Å²	57.4	73%	0.734	34%	0.337	S	S	*	.			trans	-77.2	73.7	177.1	-162.8	-179.5	168.2	0	0	110.9
410	L	87.8	Confident	91.2	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.12	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.9	176.6	-72.9	177	0	0	0	110.1	L374 L378 V387 V389 I403 L408	L374-L410 HydrophobicContact CD1-CD2 3.98Å; L374-L410 HydrophobicContact CD2-CD1 3.57Å; L374-L410 HydrophobicContact CD2-CD2 3.81Å; L374-L410 HydrophobicContact CD2-CG 4.33Å; L374-L410 HydrophobicContact CG-CD1 3.94Å; L374-L410 HydrophobicContact CG-CD2 4.09Å; L378-L410 HydrophobicContact CD1-CD1 3.92Å; L378-L410 HydrophobicContact CD1-CD2 3.32Å; L378-L410 HydrophobicContact CD1-CG 3.74Å; V387-L410 HydrophobicContact CB-CD2 3.7Å; V387-L410 HydrophobicContact CG1-CD2 4.02Å; V387-L410 HydrophobicContact CG2-CD2 4.4Å; V389-L410 HydrophobicContact CG2-CD2 4.02Å; I403-L410 HydrophobicContact CB-CD1 4.32Å; I403-L410 HydrophobicContact CG1-CD1 4.05Å; I403-L410 HydrophobicContact CG2-CB 3.63Å; I403-L410 HydrophobicContact CG2-CD1 3.68Å; I403-L410 HydrophobicContact CG2-CG 4.3Å; L408-L410 HydrophobicContact CB-CD1 4.36Å; L408-L410 HydrophobicContact CB-CG 4.24Å; L408-L410 PolarHBondContact O-N 2.86Å
411	I	89.3	Confident	91.5	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.195	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	92.4	-176.3	-50.2	163.4	0	0	0	108.8	V387 V388 V389 V413 L422 K426	V387-I411 PolarHBondContact O-N 2.99Å; V388-I411 WeakPolarHBondContact CA-O 3.49Å; V388-I411 HydrophobicContact CG2-CB 4.43Å; V388-I411 HydrophobicContact CG2-CD1 4.29Å; V389-I411 PolarHBondContact N-O 3.49Å; I411-V413 HydrophobicContact CG2-CG1 4.46Å; I411-L422 HydrophobicContact CG2-CD2 3.43Å; I411-L422 VanDerWaalsContact CG2-CD2 3.43Å; I411-K426 HydrophobicContact CD1-CD 4.19Å; I411-K426 HydrophobicContact CD1-CG 4.08Å
412	A	91.2	Very high	91.8	Very high	53 Å²	53	55.9 Å²	55.9	44%	0.438	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.1	-180	0	0	0	0	0	111.3	V389	V389-A412 CarbonylContact O-C 3.33Å; V389-A412 VanDerWaalsContact O-CA 3.31Å; V389-A412 WeakPolarHBondContact O-CA 3.32Å
413	V	93	Very high	92	Very high	9 Å²	9	53 Å²	53	6%	0.055	31%	0.314	C	S	.	.			trans	-133.4	162	178.3	-62.6	0	0	0	0	111.3	V388 V389 R390 I411 E418 A419 L422	V388-V413 HydrophobicContact CG1-CG2 4.01Å; V389-V413 PolarHBondContact O-N 2.87Å; R390-V413 HydrophobicContact CB-CG2 4.11Å; I411-V413 HydrophobicContact CG2-CG1 4.46Å; V413-E418 HydrophobicContact CB-CG 4.04Å; V413-E418 HydrophobicContact CG1-CG 3.95Å; V413-A419 HydrophobicContact CG2-CB 3.41Å; V413-A419 VanDerWaalsContact CG2-CB 3.41Å; V413-L422 HydrophobicContact CG1-CD2 3.79Å
414	N	89.5	Confident	92.3	Very high	100 Å²	100	53.9 Å²	53.9	54%	0.535	32%	0.32	S	S	.	.	S	Bend	trans	-96.2	-42.7	-170.6	-72.5	-47.7	0	0	0	113.3	R390 Q392	R390-N414 PolarHBondContact NE-O 3Å; Q392-N414 PolarHBondContact NE2-O 3.01Å
415	S	94.3	Very high	92.6	Very high	51 Å²	51	53.2 Å²	53.2	36%	0.357	30%	0.303	S	S	.	.	S	Bend	trans	-98	152.3	-175.5	78.8	0	0	0	0	111.9	E417 E418 A419	S415-E417 VanDerWaalsContact C-N 3.3Å; S415-E418 WeakPolarHBondContact OG-CB 3.27Å; S415-E418 PolarHBondContact OG-N 3.32Å; S415-E418 VanDerWaalsContact OG-N 3.08Å; S415-A419 WeakPolarHBondContact O-CB 3.44Å; S415-A419 PolarHBondContact O-N 3.49Å; S415-A419 VanDerWaalsContact O-N 3.13Å
416	L	95.6	Very high	92.8	Very high	37 Å²	37	48.9 Å²	48.9	19%	0.194	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-34.4	175.2	-177	53.1	0	0	0	111.5	L310 T314 L317 N359 A419 A420	L310-L416 HydrophobicContact CD1-CD2 4.18Å; T314-L416 HydrophobicContact CG2-CD1 4.35Å; L317-L416 HydrophobicContact CD2-CB 4.38Å; L317-L416 HydrophobicContact CD2-CD2 4.34Å; L317-L416 HydrophobicContact CD2-CG 3.72Å; N359-L416 HydrophobicContact CB-CD1 4.07Å; N359-L416 VanDerWaalsContact CG-CD1 3.5Å; N359-L416 WeakPolarHBondContact ND2-CD1 3.19Å; L416-A419 PolarHBondContact O-N 3.42Å; L416-A420 WeakPolarHBondContact O-CB 3.36Å; L416-A420 PolarHBondContact O-N 2.94Å
417	E	96.5	Very high	93.1	Very high	87 Å²	87	47.9 Å²	47.9	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-53.4	176	-173	68.2	-170.3	0	0	111.9	L317 H321 S415 A419 A420 S421	L317-E417 WeakPolarHBondContact CD1-OE2 3.37Å; H321-E417 IonicContact CE1-OE1 2.74Å; H321-E417 PolarHBondContact CE1-OE1 2.91Å; H321-E417 IonicContact NE2-OE1 3.35Å; H321-E417 PolarHBondContact NE2-OE1 3.36Å; H321-E417 IonicContact NE2-OE2 2.95Å; S415-E417 VanDerWaalsContact C-N 3.3Å; E417-A419 VanDerWaalsContact C-N 3.3Å; E417-A419 PolarHBondContact O-N 3.08Å; E417-A420 PolarHBondContact O-N 3.43Å; E417-S421 PolarHBondContact O-N 3.28Å; E417-S421 PolarHBondContact O-OG 3.31Å
418	E	96.9	Very high	93.5	Very high	86 Å²	86	46.2 Å²	46.2	40%	0.402	25%	0.25	S	C	.	.	H	α-helix	trans	-61.9	-39.6	177.3	-175.7	-176.3	-169.2	0	0	111.5	V413 S415 S421 L422	V413-E418 HydrophobicContact CB-CG 4.04Å; V413-E418 HydrophobicContact CG1-CG 3.95Å; S415-E418 WeakPolarHBondContact OG-CB 3.27Å; S415-E418 PolarHBondContact OG-N 3.32Å; S415-E418 VanDerWaalsContact OG-N 3.08Å; E418-S421 PolarHBondContact O-OG 3.48Å; E418-L422 WeakPolarHBondContact O-CB 3.38Å; E418-L422 PolarHBondContact O-N 3.31Å
419	A	97.3	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-42.9	178.3	0	0	0	0	0	112.3	L357 V388 R390 V413 S415 L416 E417 A423	L357-A419 HydrophobicContact CD1-CB 3.56Å; V388-A419 HydrophobicContact CG1-CB 4.13Å; R390-A419 HydrophobicContact CB-CB 3.93Å; R390-A419 HydrophobicContact CG-CB 4.49Å; V413-A419 HydrophobicContact CG2-CB 3.41Å; V413-A419 VanDerWaalsContact CG2-CB 3.41Å; S415-A419 WeakPolarHBondContact O-CB 3.44Å; S415-A419 PolarHBondContact O-N 3.49Å; S415-A419 VanDerWaalsContact O-N 3.13Å; L416-A419 PolarHBondContact O-N 3.42Å; E417-A419 VanDerWaalsContact C-N 3.3Å; E417-A419 PolarHBondContact O-N 3.08Å; A419-A423 VanDerWaalsContact O-CB 3.27Å; A419-A423 WeakPolarHBondContact O-CB 3.42Å; A419-A423 PolarHBondContact O-N 3.31Å
420	A	97.7	Very high	93.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-53.9	177	0	0	0	0	0	111.3	L317 I318 L416 E417 L422 A423 V424	L317-A420 HydrophobicContact CB-CB 4.12Å; L317-A420 HydrophobicContact CD2-CB 3.88Å; L317-A420 HydrophobicContact CG-CB 3.78Å; I318-A420 HydrophobicContact CG1-CB 4.36Å; L416-A420 WeakPolarHBondContact O-CB 3.36Å; L416-A420 PolarHBondContact O-N 2.94Å; E417-A420 PolarHBondContact O-N 3.43Å; A420-L422 VanDerWaalsContact C-N 3.31Å; A420-L422 PolarHBondContact O-N 3.13Å; A420-A423 PolarHBondContact O-N 3.21Å; A420-V424 WeakPolarHBondContact O-CG2 3.4Å; A420-V424 PolarHBondContact O-N 3.26Å
421	S	97.2	Very high	93.5	Very high	48 Å²	48	46.5 Å²	46.5	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-40.3	-178	66.3	0	0	0	0	112.3	E417 E418 V424 W425	E417-S421 PolarHBondContact O-N 3.28Å; E417-S421 PolarHBondContact O-OG 3.31Å; E418-S421 PolarHBondContact O-OG 3.48Å; S421-V424 PolarHBondContact O-N 2.97Å; S421-W425 PolarHBondContact O-N 3.35Å
422	L	96.8	Very high	92.5	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-38.3	178.6	-172.5	59.6	0	0	0	112.8	V388 I411 V413 E418 A420 V424 W425 K426	V388-L422 HydrophobicContact CG1-CD2 4.38Å; V388-L422 HydrophobicContact CG2-CD2 4.41Å; V388-L422 HydrophobicContact CG2-CG 4.17Å; I411-L422 HydrophobicContact CG2-CD2 3.43Å; I411-L422 VanDerWaalsContact CG2-CD2 3.43Å; V413-L422 HydrophobicContact CG1-CD2 3.79Å; E418-L422 WeakPolarHBondContact O-CB 3.38Å; E418-L422 PolarHBondContact O-N 3.31Å; A420-L422 VanDerWaalsContact C-N 3.31Å; A420-L422 PolarHBondContact O-N 3.13Å; L422-V424 VanDerWaalsContact C-N 3.31Å; L422-V424 PolarHBondContact O-N 2.72Å; L422-W425 HydrophobicContact CD1-CE3 3.74Å; L422-W425 HydrophobicContact CD1-CZ3 4.18Å; L422-W425 PolarHBondContact O-N 2.97Å; L422-K426 WeakPolarHBondContact O-CB 3.46Å; L422-K426 WeakPolarHBondContact O-CG 3.09Å; L422-K426 PolarHBondContact O-N 3.23Å
423	A	97.1	Very high	90.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-40.1	174.3	0	0	0	0	0	111.4	I301 L357 V388 A419 A420 A427	I301-A423 HydrophobicContact CG2-CB 4.13Å; L357-A423 HydrophobicContact CB-CB 4.08Å; V388-A423 HydrophobicContact CB-CB 4.4Å; V388-A423 HydrophobicContact CG2-CB 4.2Å; A419-A423 VanDerWaalsContact O-CB 3.27Å; A419-A423 WeakPolarHBondContact O-CB 3.42Å; A419-A423 PolarHBondContact O-N 3.31Å; A420-A423 PolarHBondContact O-N 3.21Å; A423-A427 WeakPolarHBondContact O-CB 3.13Å; A423-A427 PolarHBondContact O-N 3.45Å
424	V	97.1	Very high	88.7	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-50.4	173.1	178.4	0	0	0	0	111.1	I301 I318 H321 A420 S421 L422 K426 A427 A428	I301-V424 HydrophobicContact CD1-CB 4.32Å; I301-V424 HydrophobicContact CD1-CG2 3.81Å; I318-V424 HydrophobicContact CG2-CG2 4.18Å; H321-V424 HydrophobicContact CB-CG2 3.93Å; A420-V424 WeakPolarHBondContact O-CG2 3.4Å; A420-V424 PolarHBondContact O-N 3.26Å; S421-V424 PolarHBondContact O-N 2.97Å; L422-V424 VanDerWaalsContact C-N 3.31Å; L422-V424 PolarHBondContact O-N 2.72Å; V424-K426 PolarHBondContact O-N 3.34Å; V424-A427 PolarHBondContact O-N 3.49Å; V424-A428 PolarHBondContact O-N 2.95Å
425	W	96.3	Very high	86.6	Confident	78 Å²	78	61.9 Å²	61.9	30%	0.295	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-45.2	179.8	176.8	85.9	0	0	0	112.1	S421 L422 A427 A428 C429 C437	S421-W425 PolarHBondContact O-N 3.35Å; L422-W425 HydrophobicContact CD1-CE3 3.74Å; L422-W425 HydrophobicContact CD1-CZ3 4.18Å; L422-W425 PolarHBondContact O-N 2.97Å; W425-A427 PolarHBondContact O-N 2.94Å; W425-A428 PolarHBondContact O-N 3.34Å; W425-C429 VanDerWaalsContact CE2-SG 3.59Å; W425-C429 WeakPolarHBondContact O-CB 3.08Å; W425-C429 PolarHBondContact O-N 3.29Å; W425-C429 PolarHBondContact O-SG 3.27Å; W425-C437 HydrophobicContact CH2-CB 4.29Å; W425-C437 HydrophobicContact CZ2-CB 3.68Å; W425-C437 VanDerWaalsContact CZ2-O 3.31Å; W425-C437 WeakPolarHBondContact CZ2-O 3.39Å
426	K	95.1	Very high	84.2	Confident	46 Å²	46	62.2 Å²	62.2	20%	0.2	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-43	176.8	-78.4	-60	-167.9	-174.6	0	112.9	C355 P386 I411 L422 V424 A428 C429 I430	C355-K426 HydrophobicContact CB-CB 4.46Å; P386-K426 HydrophobicContact CB-CB 4.2Å; P386-K426 HydrophobicContact CB-CD 4.38Å; P386-K426 HydrophobicContact CB-CG 4.28Å; I411-K426 HydrophobicContact CD1-CD 4.19Å; I411-K426 HydrophobicContact CD1-CG 4.08Å; L422-K426 WeakPolarHBondContact O-CB 3.46Å; L422-K426 WeakPolarHBondContact O-CG 3.09Å; L422-K426 PolarHBondContact O-N 3.23Å; V424-K426 PolarHBondContact O-N 3.34Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 2.98Å; K426-C429 WeakPolarHBondContact O-CB 3.48Å; K426-C429 PolarHBondContact O-N 2.86Å; K426-I430 PolarHBondContact O-N 3.18Å
427	A	93.9	Very high	81.9	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.017	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-40.2	176.7	0	0	0	0	0	111.9	I301 D354 C355 A423 V424 W425 I430	I301-A427 HydrophobicContact CD1-CB 4.13Å; I301-A427 HydrophobicContact CG1-CB 3.69Å; D354-A427 HydrophobicContact CB-CB 4.13Å; C355-A427 HydrophobicContact CB-CB 3.91Å; A423-A427 WeakPolarHBondContact O-CB 3.13Å; A423-A427 PolarHBondContact O-N 3.45Å; V424-A427 PolarHBondContact O-N 3.49Å; W425-A427 PolarHBondContact O-N 2.94Å; A427-I430 PolarHBondContact O-N 3.17Å
428	A	92.4	Very high	79.4	Confident	42 Å²	42	64.9 Å²	64.9	35%	0.347	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-42.2	175.2	0	0	0	0	0	112	V424 W425 K426 I430 R431 H432	V424-A428 PolarHBondContact O-N 2.95Å; W425-A428 PolarHBondContact O-N 3.34Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 2.98Å; A428-I430 VanDerWaalsContact C-N 3.29Å; A428-I430 PolarHBondContact O-N 3.29Å; A428-R431 PolarHBondContact O-N 3.28Å; A428-H432 PolarHBondContact O-CD2 2.99Å; A428-H432 VanDerWaalsContact O-CD2 3.29Å; A428-H432 PolarHBondContact O-N 3.32Å
429	C	90.1	Very high	76.4	Confident	19 Å²	19	65.5 Å²	65.5	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-56.5	-38.7	177.8	-86.5	0	0	0	0	113.8	W425 K426 C437	W425-C429 VanDerWaalsContact CE2-SG 3.59Å; W425-C429 WeakPolarHBondContact O-CB 3.08Å; W425-C429 PolarHBondContact O-N 3.29Å; W425-C429 PolarHBondContact O-SG 3.27Å; K426-C429 WeakPolarHBondContact O-CB 3.48Å; K426-C429 PolarHBondContact O-N 2.86Å; C429-C437 WeakPolarHBondContact CA-SG 2.89Å; C429-C437 HydrophobicContact CB-CB 4.4Å; C429-C437 WeakPolarHBondContact CB-SG 3.45Å; C429-C437 WeakPolarHBondContact SG-CB 3.31Å; C429-C437 CovalentContact SG-SG 2.02Å; C429-C437 PolarHBondContact SG-SG 2.02Å
430	I	86.2	Confident	73.3	Confident	72 Å²	72	70.7 Å²	70.7	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-67.8	-37.9	178.7	-72.4	171.2	0	0	0	112	D354 P386 K426 A427 A428	D354-I430 HydrophobicContact CB-CB 4.29Å; D354-I430 HydrophobicContact CB-CD1 4.24Å; D354-I430 HydrophobicContact CB-CG2 4.28Å; D354-I430 WeakPolarHBondContact O-CD1 3.25Å; P386-I430 HydrophobicContact CG-CD1 3.64Å; P386-I430 HydrophobicContact CG-CG1 4.5Å; K426-I430 PolarHBondContact O-N 3.18Å; A427-I430 PolarHBondContact O-N 3.17Å; A428-I430 VanDerWaalsContact C-N 3.29Å; A428-I430 PolarHBondContact O-N 3.29Å
431	R	79.4	Confident	70.2	Confident	144 Å²	144	78.8 Å²	78.8	54%	0.543	46%	0.459	S	S	.	.	H	α-helix	trans	-77.9	-20.4	-178.6	-69.3	-170.4	174.9	-176.1	-1.7	114	N300 R352 D354 A428	N300-R431 VanDerWaalsContact ND2-CZ 3.34Å; N300-R431 PolarHBondContact ND2-NE 2.87Å; R352-R431 PolarHBondContact O-NH2 3.02Å; D354-R431 IonicContact OD2-CZ 3.56Å; D354-R431 IonicContact OD2-NE 3Å; D354-R431 PolarHBondContact OD2-NE 3.08Å; D354-R431 IonicContact OD2-NH2 2.72Å; D354-R431 PolarHBondContact OD2-NH2 3.44Å; A428-R431 PolarHBondContact O-N 3.28Å
432	H	68.5	Low	68.9	Low	134 Å²	134	80.3 Å²	80.3	62%	0.62	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	18.1	-170.5	-75.8	-66.1	0	0	0	115.1	A428	A428-H432 PolarHBondContact O-CD2 2.99Å; A428-H432 VanDerWaalsContact O-CD2 3.29Å; A428-H432 PolarHBondContact O-N 3.32Å
433	D	55.7	Low	67.4	Low	136 Å²	136	82.4 Å²	82.4	73%	0.727	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	66.1	176.3	-96.3	-13.1	0	0	0	112.9	L435	D433-L435 PolarHBondContact O-N 3.44Å
434	S	50	Low	65.8	Low	86 Å²	86	87 Å²	87	60%	0.601	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-25.3	161.5	63.4	0	0	0	0	120.5	A436 C437	S434-A436 VanDerWaalsContact C-N 3.33Å; S434-A436 PolarHBondContact O-N 3.12Å; S434-C437 PolarHBondContact O-N 2.68Å
435	L	45.3	Very low	63.9	Low	166 Å²	166	90.6 Å²	90.6	87%	0.869	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.1	-171.1	-80.3	154.7	0	0	0	114.2	D433	D433-L435 PolarHBondContact O-N 3.44Å
436	A	42.9	Very low	61.9	Low	59 Å²	59	91.4 Å²	91.4	49%	0.488	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-13.4	178.3	0	0	0	0	0	113.9	S434 S439	S434-A436 VanDerWaalsContact C-N 3.33Å; S434-A436 PolarHBondContact O-N 3.12Å; A436-S439 PolarHBondContact O-OG 3.37Å
437	C	48.5	Very low	59.7	Low	19 Å²	19	94.5 Å²	94.5	13%	0.128	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-79.2	-25.5	-168.2	-56.8	0	0	0	0	113.2	W425 C429 S434 S439	W425-C437 HydrophobicContact CH2-CB 4.29Å; W425-C437 HydrophobicContact CZ2-CB 3.68Å; W425-C437 VanDerWaalsContact CZ2-O 3.31Å; W425-C437 WeakPolarHBondContact CZ2-O 3.39Å; C429-C437 WeakPolarHBondContact CA-SG 2.89Å; C429-C437 HydrophobicContact CB-CB 4.4Å; C429-C437 WeakPolarHBondContact CB-SG 3.45Å; C429-C437 WeakPolarHBondContact SG-CB 3.31Å; C429-C437 CovalentContact SG-SG 2.02Å; C429-C437 PolarHBondContact SG-SG 2.02Å; S434-C437 PolarHBondContact O-N 2.68Å; C437-S439 PolarHBondContact O-N 3.33Å; C437-S439 VanDerWaalsContact O-N 3.12Å
438	D	42.5	Very low	57.3	Low	160 Å²	160	101.1 Å²	101.1	86%	0.856	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-79.2	4.8	-172.8	-68.2	-20.4	0	0	0	115.1
439	S	35.1	Very low	54.6	Low	99 Å²	99	105.6 Å²	105.6	69%	0.692	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-109.5	-3.9	-171.1	62.9	0	0	0	0	116.8	A436 C437	A436-S439 PolarHBondContact O-OG 3.37Å; C437-S439 PolarHBondContact O-N 3.33Å; C437-S439 VanDerWaalsContact O-N 3.12Å
440	V	32.6	Very low	51.6	Low	109 Å²	109	112.8 Å²	112.8	66%	0.661	66%	0.663	S	S	*	*			trans	-149.5	81	176.7	-166	0	0	0	0	110.5
441	A	32.9	Very low	48.5	Very low	170 Å²	170	116.5 Å²	116.5	100%	1.405	69%	0.69	S	S	*	*			trans	-126.2	0	153.6	0	0	0	0	0	106.3

Retrieved 441 of 441 residues in 363.3 ms (Link to these results)

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