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

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

AlphaFold DB , UniProt , Accession A0A3Q0KS94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	35	Very low	223 Å²	223	165.5 Å²	165.5	100%	1.099	80%	0.804	S	S	*	*				0	-38.2	0	-97.7	167.6	-170	0	0	113.6	R3	M1-R3 PolarHBondContact O-N 2.63Å
2	F	35.4	Very low	34.6	Very low	193 Å²	193	163.3 Å²	163.3	85%	0.846	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-69	-23.3	178.5	-100.8	-95.9	0	0	0	116.7
3	R	31.4	Very low	34.5	Very low	223 Å²	223	161.4 Å²	161.4	84%	0.842	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-80.7	-13.3	-178.9	-113.5	-179.9	-179.9	-176.6	-0.4	115.3	M1	M1-R3 PolarHBondContact O-N 2.63Å
4	K	35.1	Very low	34.1	Very low	188 Å²	188	163 Å²	163	82%	0.817	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-91.7	-10.6	-177.7	-96.6	-174.5	174.6	-175.9	0	114.2
5	L	36.6	Very low	33.9	Very low	160 Å²	160	160.4 Å²	160.4	84%	0.838	78%	0.78	S	S	*	*	S	Bend	trans	-84.4	-19.7	175.6	-103.7	99.2	0	0	0	113.9
6	I	41.6	Very low	33.6	Very low	129 Å²	129	155.5 Å²	155.5	66%	0.662	76%	0.762	S	S	*	*	S	Bend	trans	-91.3	-19.2	-174	-58	176.7	0	0	0	112.2
7	F	37	Very low	33.4	Very low	176 Å²	176	153.7 Å²	153.7	77%	0.772	75%	0.75	S	S	*	*	S	Bend	trans	-129.6	25.4	-172.5	-63.5	-75.2	0	0	0	113.8
8	G	33.6	Very low	33.7	Very low	42 Å²	42	147.8 Å²	147.8	43%	0.433	73%	0.726	S	S	.	*			trans	-80	140.2	178.1	0	0	0	0	0	112.5	N10	G8-N10 PolarHBondContact O-N 3.34Å
9	P	31	Very low	34.5	Very low	133 Å²	133	143.9 Å²	143.9	86%	0.864	71%	0.711	S	S	*	*			trans	-81.1	60.2	176.2	36.4	-34	0	0	0	109.7
10	N	32.9	Very low	35.8	Very low	136 Å²	136	139.7 Å²	139.7	73%	0.727	69%	0.687	S	S	*	*	S	Bend	trans	-115.5	122	167.1	-81.4	-19.9	0	0	0	107	G8 L12	G8-N10 PolarHBondContact O-N 3.34Å; N10-L12 PolarHBondContact O-N 2.73Å
11	K	29.8	Very low	37.6	Very low	218 Å²	218	134.9 Å²	134.9	95%	0.948	67%	0.665	S	S	*	*			trans	-58.4	82.1	-179.3	-69.2	176.8	174.9	-179.4	0	110.6
12	L	30.7	Very low	40	Very low	139 Å²	139	124.3 Å²	124.3	73%	0.728	61%	0.613	S	S	*	*			trans	-100.9	104.5	164.6	-86.4	147.2	0	0	0	105.8	N10 Q14	N10-L12 PolarHBondContact O-N 2.73Å; L12-Q14 PolarHBondContact O-N 3.25Å; L12-Q14 VanDerWaalsContact O-N 3.12Å
13	F	32.9	Very low	42.8	Very low	138 Å²	138	119.1 Å²	119.1	61%	0.605	59%	0.591	S	S	*	*			trans	21.7	75.9	172.1	-66	-81.5	0	0	0	115.6	N15 V16	F13-N15 PolarHBondContact O-N 2.7Å; F13-V16 HydrophobicContact CD1-CG2 4.29Å
14	Q	28.7	Very low	45.8	Very low	184 Å²	184	109 Å²	109	86%	0.86	55%	0.554	S	S	*	*			trans	-69.1	106	166.5	-79	-173.2	-17.9	0	0	108.9	L12	L12-Q14 PolarHBondContact O-N 3.25Å; L12-Q14 VanDerWaalsContact O-N 3.12Å
15	N	31.1	Very low	48.7	Very low	124 Å²	124	100.3 Å²	100.3	66%	0.663	52%	0.516	S	S	*	.			trans	66.3	59.9	163.1	-69.2	-38.6	0	0	0	117.9	F13 K17	F13-N15 PolarHBondContact O-N 2.7Å; N15-K17 PolarHBondContact O-N 2.91Å
16	V	28.7	Very low	51.6	Low	82 Å²	82	93 Å²	93	50%	0.497	48%	0.478	S	S	.	.			trans	-76.6	70	150.1	-168.5	0	0	0	0	108.1	F13 C18	F13-V16 HydrophobicContact CD1-CG2 4.29Å; V16-C18 PolarHBondContact O-N 3.47Å
17	K	31.1	Very low	54.2	Low	125 Å²	125	88.9 Å²	88.9	54%	0.543	45%	0.454	S	S	.	.			trans	-72.7	113.4	160.3	-103	-172.6	-172.7	-178.7	0	105.8	N15 V19 R159	N15-K17 PolarHBondContact O-N 2.91Å; K17-V19 HydrophobicContact CB-CG2 4.17Å; K17-V19 PolarHBondContact O-N 3.41Å; K17-R159 VanDerWaalsContact CD-NH2 3.34Å
18	C	38	Very low	57	Low	47 Å²	47	80.6 Å²	80.6	32%	0.318	42%	0.418	S	S	.	.			trans	-65.8	71.2	167.3	-178.4	0	0	0	0	109	V16 F327	V16-C18 PolarHBondContact O-N 3.47Å; C18-F327 HydrophobicContact CB-CE1 4.41Å; C18-F327 HydrophobicContact CB-CZ 4.43Å
19	V	50	Low	60	Low	75 Å²	75	78.6 Å²	78.6	46%	0.455	40%	0.397	S	S	.	.			trans	-104	102.6	165.5	-178	0	0	0	0	104.6	K17 T21	K17-V19 HydrophobicContact CB-CG2 4.17Å; K17-V19 PolarHBondContact O-N 3.41Å; V19-T21 HydrophobicContact CG1-CG2 4.09Å; V19-T21 PolarHBondContact O-N 3.09Å
20	R	59.1	Low	63.1	Low	59 Å²	59	72.3 Å²	72.3	22%	0.223	36%	0.356	C	S	.	.			trans	-65.4	129.1	166.3	-66.8	178.4	173.4	161.7	-3.7	106.2	D261 Y293	R20-D261 WeakPolarHBondContact CB-OD2 3.47Å; R20-D261 WeakPolarHBondContact O-CB 3.35Å; R20-Y293 PolarHBondContact NH2-O 3.36Å; R20-Y293 VanDerWaalsContact NH2-O 3.09Å
21	T	75	Confident	66.1	Low	38 Å²	38	69.9 Å²	69.9	23%	0.233	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.2	172.1	49	0	0	0	0	105.4	V19 K23 T235 F259	V19-T21 HydrophobicContact CG1-CG2 4.09Å; V19-T21 PolarHBondContact O-N 3.09Å; T21-K23 PolarHBondContact O-N 3.39Å; T21-K23 VanDerWaalsContact O-N 3.16Å; T21-T235 HydrophobicContact CG2-CG2 4.12Å; T21-T235 WeakPolarHBondContact CG2-OG1 3.44Å; T21-F259 WeakPolarHBondContact CA-O 3.49Å; T21-F259 WeakPolarHBondContact CB-O 3.43Å
22	L	91.3	Very high	69.3	Low	2 Å²	2	60 Å²	60	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	122.7	173.4	171.5	67	0	0	0	108.5	V24 N258 F259 D261 I270 F271 R274	L22-V24 HydrophobicContact CG-CG1 4.38Å; L22-N258 CarbonylContact O-C 3.47Å; L22-N258 VanDerWaalsContact O-CA 3.31Å; L22-N258 WeakPolarHBondContact O-CA 3.33Å; L22-F259 HydrophobicContact CB-CB 4.26Å; L22-F259 HydrophobicContact CB-CD2 4.44Å; L22-F259 HydrophobicContact CD2-CD2 4.18Å; L22-F259 HydrophobicContact CG-CD2 4.21Å; L22-F259 PolarHBondContact N-O 3.16Å; L22-F259 WeakPolarHBondContact O-CD2 3.41Å; L22-F259 PolarHBondContact O-N 2.95Å; L22-D261 PolarHBondContact N-OD1 3.4Å; L22-I270 HydrophobicContact CD2-CG2 3.9Å; L22-F271 HydrophobicContact CB-CD1 4.44Å; L22-F271 HydrophobicContact CB-CE1 3.82Å; L22-F271 HydrophobicContact CB-CZ 3.97Å; L22-F271 HydrophobicContact CD2-CB 4.31Å; L22-F271 HydrophobicContact CD2-CD1 3.77Å; L22-F271 HydrophobicContact CD2-CD2 3.87Å; L22-F271 HydrophobicContact CD2-CE1 3.88Å; L22-F271 HydrophobicContact CD2-CE2 4.01Å; L22-F271 HydrophobicContact CD2-CG 3.75Å; L22-F271 HydrophobicContact CD2-CZ 3.99Å; L22-F271 HydrophobicContact CG-CE1 4.44Å; L22-R274 HydrophobicContact CD1-CB 3.6Å; L22-R274 HydrophobicContact CD1-CG 3.6Å
23	K	93.4	Very high	72.5	Confident	84 Å²	84	53.3 Å²	53.3	37%	0.365	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142	168.7	-60.2	177.3	-175.5	170.9	0	108.2	T21 L86	T21-K23 PolarHBondContact O-N 3.39Å; T21-K23 VanDerWaalsContact O-N 3.16Å; K23-L86 HydrophobicContact CB-CB 4.4Å; K23-L86 HydrophobicContact CB-CD1 4.22Å; K23-L86 HydrophobicContact CB-CD2 4.16Å; K23-L86 HydrophobicContact CB-CG 4.5Å; K23-L86 HydrophobicContact CD-CB 4.43Å
24	V	94.7	Very high	75.5	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.067	25%	0.254	C	S	.	.			trans	-116.2	157.9	172.4	-62.6	0	0	0	0	109.9	L22 A29 L257 F259	L22-V24 HydrophobicContact CG-CG1 4.38Å; V24-A29 HydrophobicContact CG2-CB 4.22Å; V24-L257 HydrophobicContact CG2-CB 4.12Å; V24-F259 HydrophobicContact CB-CE2 4.34Å; V24-F259 HydrophobicContact CG1-CD2 4.23Å; V24-F259 HydrophobicContact CG1-CE2 3.66Å; V24-F259 HydrophobicContact CG2-CE2 3.75Å; V24-F259 HydrophobicContact CG2-CZ 4.4Å
25	H	96.1	Very high	78.7	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.019	24%	0.24	C	C	.	.			trans	-65	159.4	172.7	-72.7	-73.7	0	0	0	111.4	Y27 S28 A29 Q84 D275	H25-Y27 VanDerWaalsContact C-N 3.27Å; H25-Y27 HydrophobicContact CB-CD1 3.48Å; H25-Y27 VanDerWaalsContact CB-CD1 3.48Å; H25-Y27 HydrophobicContact CB-CE1 3.26Å; H25-Y27 HydrophobicContact CB-CG 4.37Å; H25-Y27 AromaticContact CD2-CE1 3.84Å; H25-Y27 AromaticContact CG-CE1 3.65Å; H25-Y27 PolarHBondContact O-N 3.07Å; H25-S28 WeakPolarHBondContact O-CB 3.08Å; H25-S28 PolarHBondContact O-N 2.93Å; H25-S28 VanDerWaalsContact O-N 3.16Å; H25-A29 PolarHBondContact O-N 2.84Å; H25-Q84 PolarHBondContact CE1-O 3.38Å; H25-Q84 VanDerWaalsContact CE1-O 3.29Å; H25-D275 IonicContact CD2-OD2 3.95Å; H25-D275 IonicContact CE1-OD2 2.72Å; H25-D275 IonicContact NE2-OD2 3.28Å; H25-D275 PolarHBondContact NE2-OD2 2.79Å
26	E	96.4	Very high	81.9	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-39.8	179.5	176.7	-174.1	-176.4	0	0	111.4	S28 A29 M30 K82 Q84 R90 L140 D254	E26-S28 PolarHBondContact O-N 3.25Å; E26-A29 PolarHBondContact O-N 3.42Å; E26-M30 HydrophobicContact CG-CE 3.69Å; E26-M30 HydrophobicContact CG-CG 4.31Å; E26-M30 HydrophobicContact CG-SD 4.24Å; E26-M30 WeakPolarHBondContact O-CB 3.43Å; E26-M30 WeakPolarHBondContact O-CG 3.33Å; E26-M30 PolarHBondContact O-N 2.75Å; E26-M30 WeakPolarHBondContact OE1-CE 3.32Å; E26-K82 VanDerWaalsContact OE1-CD 3.24Å; E26-K82 WeakPolarHBondContact OE1-CD 3.43Å; E26-K82 IonicContact OE1-NZ 3.31Å; E26-K82 PolarHBondContact OE1-NZ 2.94Å; E26-K82 WeakPolarHBondContact OE2-CD 3.3Å; E26-Q84 PolarHBondContact OE2-NE2 2.87Å; E26-R90 IonicContact OE2-CZ 2.95Å; E26-R90 VanDerWaalsContact OE2-CZ 3.28Å; E26-R90 IonicContact OE2-NH1 2.79Å; E26-R90 PolarHBondContact OE2-NH1 3.29Å; E26-R90 IonicContact OE2-NH2 3.4Å; E26-R90 PolarHBondContact OE2-NH2 3.41Å; E26-L140 HydrophobicContact CG-CD2 3.98Å; E26-D254 VanDerWaalsContact CD-OD1 3.25Å; E26-D254 WeakPolarHBondContact CG-OD1 3.42Å
27	Y	95.9	Very high	85.1	Confident	41 Å²	41	47.6 Å²	47.6	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-42.5	177.7	72.5	-97.4	0	0	0	112.5	H25 A29 M30 E31 V45 Q84 T138	H25-Y27 VanDerWaalsContact C-N 3.27Å; H25-Y27 HydrophobicContact CB-CD1 3.48Å; H25-Y27 VanDerWaalsContact CB-CD1 3.48Å; H25-Y27 HydrophobicContact CB-CE1 3.26Å; H25-Y27 HydrophobicContact CB-CG 4.37Å; H25-Y27 AromaticContact CD2-CE1 3.84Å; H25-Y27 AromaticContact CG-CE1 3.65Å; H25-Y27 PolarHBondContact O-N 3.07Å; Y27-A29 VanDerWaalsContact C-N 3.35Å; Y27-M30 PolarHBondContact O-N 3.42Å; Y27-E31 WeakPolarHBondContact O-CG 3.45Å; Y27-E31 PolarHBondContact O-N 2.95Å; Y27-V45 HydrophobicContact CD1-CG2 4.38Å; Y27-V45 HydrophobicContact CD2-CG2 3.89Å; Y27-V45 HydrophobicContact CG-CG2 3.73Å; Y27-Q84 HydrophobicContact CD1-CB 4.41Å; Y27-Q84 HydrophobicContact CD1-CG 3.97Å; Y27-Q84 VanDerWaalsContact N-OE1 3.13Å; Y27-T138 HydrophobicContact CE1-CG2 4.37Å
28	S	96	Very high	88.3	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-42.9	175.3	-74.1	0	0	0	0	111.5	H25 E26 E31 L32 Q273	H25-S28 WeakPolarHBondContact O-CB 3.08Å; H25-S28 PolarHBondContact O-N 2.93Å; H25-S28 VanDerWaalsContact O-N 3.16Å; E26-S28 PolarHBondContact O-N 3.25Å; S28-E31 PolarHBondContact O-N 3.27Å; S28-L32 PolarHBondContact O-N 3.28Å; S28-L32 VanDerWaalsContact O-N 3.08Å; S28-Q273 PolarHBondContact OG-OE1 2.83Å
29	A	96.9	Very high	91	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-43	175.5	0	0	0	0	0	111.6	V24 H25 E26 Y27 E31 L32 L33 C255 L257	V24-A29 HydrophobicContact CG2-CB 4.22Å; H25-A29 PolarHBondContact O-N 2.84Å; E26-A29 PolarHBondContact O-N 3.42Å; Y27-A29 VanDerWaalsContact C-N 3.35Å; A29-E31 PolarHBondContact O-N 3.29Å; A29-L32 WeakPolarHBondContact O-CB 3.29Å; A29-L32 PolarHBondContact O-N 3.41Å; A29-L33 WeakPolarHBondContact O-CG 3.5Å; A29-L33 PolarHBondContact O-N 3.01Å; A29-C255 HydrophobicContact CB-CB 3.99Å; A29-L257 HydrophobicContact CB-CB 4.43Å; A29-L257 HydrophobicContact CB-CD1 3.76Å; A29-L257 HydrophobicContact CB-CG 3.86Å
30	M	96.5	Very high	93.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-33.8	176.8	-70	-173.2	174.3	0	0	113.2	E26 Y27 L32 L33 K34 V40 F43 L140 M253	E26-M30 HydrophobicContact CG-CE 3.69Å; E26-M30 HydrophobicContact CG-CG 4.31Å; E26-M30 HydrophobicContact CG-SD 4.24Å; E26-M30 WeakPolarHBondContact O-CB 3.43Å; E26-M30 WeakPolarHBondContact O-CG 3.33Å; E26-M30 PolarHBondContact O-N 2.75Å; E26-M30 WeakPolarHBondContact OE1-CE 3.32Å; Y27-M30 PolarHBondContact O-N 3.42Å; M30-L32 VanDerWaalsContact C-N 3.35Å; M30-L33 PolarHBondContact O-N 3.31Å; M30-K34 WeakPolarHBondContact O-CG 3.36Å; M30-K34 PolarHBondContact O-N 2.98Å; M30-V40 HydrophobicContact CB-CG1 4.42Å; M30-V40 HydrophobicContact CG-CG1 4.34Å; M30-F43 HydrophobicContact CB-CD1 4.19Å; M30-F43 HydrophobicContact CB-CE1 3.48Å; M30-F43 VanDerWaalsContact CB-CE1 3.48Å; M30-F43 HydrophobicContact CB-CZ 3.88Å; M30-F43 HydrophobicContact CG-CE1 4.43Å; M30-F43 HydrophobicContact SD-CD1 3.9Å; M30-F43 HydrophobicContact SD-CE1 4.16Å; M30-L140 HydrophobicContact CE-CD2 4.33Å; M30-L140 HydrophobicContact SD-CD2 3.86Å; M30-M253 VanDerWaalsContact CE-O 3.28Å; M30-M253 WeakPolarHBondContact CE-O 3.41Å
31	E	96.2	Very high	94.9	Very high	86 Å²	86	35.9 Å²	35.9	40%	0.402	17%	0.168	S	C	.	.	H	α-helix	trans	-63.2	-41	170.7	-74.8	-179.1	177.9	0	0	111.7	Y27 S28 A29 K34 K35 F43	Y27-E31 WeakPolarHBondContact O-CG 3.45Å; Y27-E31 PolarHBondContact O-N 2.95Å; S28-E31 PolarHBondContact O-N 3.27Å; A29-E31 PolarHBondContact O-N 3.29Å; E31-K34 WeakPolarHBondContact O-CB 3.44Å; E31-K34 PolarHBondContact O-N 3.3Å; E31-K35 WeakPolarHBondContact O-CG 3.49Å; E31-K35 PolarHBondContact O-N 2.91Å; E31-F43 HydrophobicContact CG-CE2 4.31Å; E31-F43 HydrophobicContact CG-CZ 3.85Å
32	L	96.2	Very high	95.7	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-44.5	172.6	-71.9	172.4	0	0	0	111.3	S28 A29 M30 K34 K35 Y36 L228 L257 F259	S28-L32 PolarHBondContact O-N 3.28Å; S28-L32 VanDerWaalsContact O-N 3.08Å; A29-L32 WeakPolarHBondContact O-CB 3.29Å; A29-L32 PolarHBondContact O-N 3.41Å; M30-L32 VanDerWaalsContact C-N 3.35Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 2.77Å; L32-K35 HydrophobicContact CD2-CD 4.35Å; L32-K35 WeakPolarHBondContact O-CB 3.47Å; L32-K35 PolarHBondContact O-N 3.03Å; L32-K35 VanDerWaalsContact O-N 3.11Å; L32-Y36 WeakPolarHBondContact O-CD2 3.48Å; L32-Y36 PolarHBondContact O-N 3.4Å; L32-L228 HydrophobicContact CB-CD1 4.15Å; L32-L257 HydrophobicContact CB-CD1 4.32Å; L32-L257 HydrophobicContact CD1-CD1 3.72Å; L32-F259 HydrophobicContact CD1-CE1 4.37Å; L32-F259 HydrophobicContact CD1-CZ 3.72Å
33	L	97.8	Very high	95.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-44.6	174.1	-68.1	-178.6	0	0	0	112	A29 M30 K35 Y36 E37 I38 V40 L225 L228 I239 C252 C255	A29-L33 WeakPolarHBondContact O-CG 3.5Å; A29-L33 PolarHBondContact O-N 3.01Å; M30-L33 PolarHBondContact O-N 3.31Å; L33-K35 VanDerWaalsContact C-N 3.35Å; L33-K35 PolarHBondContact O-N 2.69Å; L33-Y36 CarbonylContact O-C 3.5Å; L33-Y36 PolarHBondContact O-N 2.98Å; L33-Y36 VanDerWaalsContact O-N 3.11Å; L33-E37 PolarHBondContact O-N 3.07Å; L33-I38 HydrophobicContact CB-CB 4.12Å; L33-I38 HydrophobicContact CB-CG2 4.43Å; L33-I38 HydrophobicContact CD2-CB 4.32Å; L33-I38 HydrophobicContact CD2-CD1 3.72Å; L33-I38 HydrophobicContact CD2-CG2 4.21Å; L33-I38 WeakPolarHBondContact O-CB 3.31Å; L33-I38 PolarHBondContact O-N 2.95Å; L33-V40 HydrophobicContact CB-CG1 3.78Å; L33-V40 HydrophobicContact CD1-CG1 3.57Å; L33-V40 HydrophobicContact CG-CG1 4.35Å; L33-L225 HydrophobicContact CD2-CD2 3.52Å; L33-L228 HydrophobicContact CD2-CD2 3.66Å; L33-I239 HydrophobicContact CD1-CD1 4.02Å; L33-I239 HydrophobicContact CD2-CD1 4.4Å; L33-C252 HydrophobicContact CD1-CB 4.02Å; L33-C255 HydrophobicContact CD1-CB 3.62Å; L33-C255 HydrophobicContact CG-CB 4.46Å
34	K	97	Very high	96.1	Very high	96 Å²	96	39.3 Å²	39.3	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-59	-42.1	175.3	-75.9	175.7	172.9	172	0	112.3	M30 E31 L32 Y36 E37 V40 F43	M30-K34 WeakPolarHBondContact O-CG 3.36Å; M30-K34 PolarHBondContact O-N 2.98Å; E31-K34 WeakPolarHBondContact O-CB 3.44Å; E31-K34 PolarHBondContact O-N 3.3Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 2.77Å; K34-Y36 PolarHBondContact O-N 3.18Å; K34-E37 PolarHBondContact O-N 3.4Å; K34-V40 HydrophobicContact CD-CG2 4.08Å; K34-V40 VanDerWaalsContact CE-CG2 3.49Å; K34-V40 HydrophobicContact CG-CG2 3.59Å; K34-F43 HydrophobicContact CD-CE1 3.97Å; K34-F43 HydrophobicContact CD-CZ 4.27Å
35	K	96	Very high	96.2	Very high	128 Å²	128	40.1 Å²	40.1	56%	0.557	19%	0.186	S	C	*	.	H	α-helix	trans	-59.9	-28.9	176.7	-71.4	-177.9	-176.4	-177.8	0	112.7	E31 L32 L33 E37 E269	E31-K35 WeakPolarHBondContact O-CG 3.49Å; E31-K35 PolarHBondContact O-N 2.91Å; L32-K35 HydrophobicContact CD2-CD 4.35Å; L32-K35 WeakPolarHBondContact O-CB 3.47Å; L32-K35 PolarHBondContact O-N 3.03Å; L32-K35 VanDerWaalsContact O-N 3.11Å; L33-K35 VanDerWaalsContact C-N 3.35Å; L33-K35 PolarHBondContact O-N 2.69Å; K35-E37 VanDerWaalsContact C-N 3.33Å; K35-E269 IonicContact NZ-OE2 3.34Å
36	Y	96.9	Very high	96.2	Very high	52 Å²	52	40 Å²	40	20%	0.204	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	14.2	175.9	-75	-102.2	0	0	0	113.2	L32 L33 K34 I38 R224 K227 L228 S231	L32-Y36 WeakPolarHBondContact O-CD2 3.48Å; L32-Y36 PolarHBondContact O-N 3.4Å; L33-Y36 CarbonylContact O-C 3.5Å; L33-Y36 PolarHBondContact O-N 2.98Å; L33-Y36 VanDerWaalsContact O-N 3.11Å; K34-Y36 PolarHBondContact O-N 3.18Å; Y36-I38 PolarHBondContact O-N 3.29Å; Y36-R224 WeakPolarHBondContact O-CD 3.49Å; Y36-K227 HydrophobicContact CD1-CD 4.46Å; Y36-K227 HydrophobicContact CD1-CG 4.45Å; Y36-K227 HydrophobicContact CE1-CB 4.45Å; Y36-K227 HydrophobicContact CE1-CD 4.34Å; Y36-K227 HydrophobicContact CE1-CG 4.08Å; Y36-L228 HydrophobicContact CD1-CB 3.98Å; Y36-L228 HydrophobicContact CD2-CB 4.07Å; Y36-L228 HydrophobicContact CD2-CD1 3.64Å; Y36-L228 HydrophobicContact CD2-CG 4.32Å; Y36-L228 HydrophobicContact CE1-CB 4.05Å; Y36-L228 HydrophobicContact CE2-CB 4.14Å; Y36-L228 HydrophobicContact CE2-CD1 3.31Å; Y36-L228 HydrophobicContact CE2-CG 4.28Å; Y36-L228 HydrophobicContact CG-CB 3.98Å; Y36-L228 HydrophobicContact CG-CD1 4.42Å; Y36-S231 VanDerWaalsContact OH-CB 3.23Å; Y36-S231 WeakPolarHBondContact OH-CB 3.46Å
37	E	97.1	Very high	96.2	Very high	132 Å²	132	46.5 Å²	46.5	62%	0.617	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	35.3	-179.4	-53.7	-178.3	125.5	0	0	113	L33 K34 K35 R224	L33-E37 PolarHBondContact O-N 3.07Å; K34-E37 PolarHBondContact O-N 3.4Å; K35-E37 VanDerWaalsContact C-N 3.33Å; E37-R224 PolarHBondContact O-NH1 3.46Å; E37-R224 IonicContact OE2-CZ 2.88Å; E37-R224 IonicContact OE2-NH1 2.67Å; E37-R224 IonicContact OE2-NH2 2.93Å; E37-R224 PolarHBondContact OE2-NH2 3.48Å
38	I	97.3	Very high	96.3	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	22%	0.218	C	C	.	.			trans	-95.4	128.3	176.5	-60.6	162.5	0	0	0	108.4	L33 Y36 V40 R224 L225 C252	L33-I38 HydrophobicContact CB-CB 4.12Å; L33-I38 HydrophobicContact CB-CG2 4.43Å; L33-I38 HydrophobicContact CD2-CB 4.32Å; L33-I38 HydrophobicContact CD2-CD1 3.72Å; L33-I38 HydrophobicContact CD2-CG2 4.21Å; L33-I38 WeakPolarHBondContact O-CB 3.31Å; L33-I38 PolarHBondContact O-N 2.95Å; Y36-I38 PolarHBondContact O-N 3.29Å; I38-V40 PolarHBondContact O-N 3.48Å; I38-R224 HydrophobicContact CD1-CB 3.89Å; I38-R224 HydrophobicContact CG1-CB 3.75Å; I38-L225 HydrophobicContact CD1-CD2 3.66Å; I38-L225 HydrophobicContact CD1-CG 3.93Å; I38-L225 HydrophobicContact CG2-CD2 4.36Å; I38-C252 HydrophobicContact CG2-CB 4.48Å; I38-C252 VanDerWaalsContact CG2-SG 3.57Å
39	P	96	Very high	96.2	Very high	34 Å²	34	49.3 Å²	49.3	22%	0.221	23%	0.228	C	C	.	.			trans	-68.6	125.7	-175.2	26	-34.8	0	0	0	111.2	Y221 V250 C252	P39-Y221 VanDerWaalsContact CD-CD1 3.45Å; P39-Y221 VanDerWaalsContact CD-CZ 3.48Å; P39-Y221 HydrophobicContact CG-CD1 4.26Å; P39-Y221 HydrophobicContact CG-CD2 4.16Å; P39-Y221 HydrophobicContact CG-CE1 3.87Å; P39-Y221 HydrophobicContact CG-CE2 3.71Å; P39-Y221 HydrophobicContact CG-CG 4.41Å; P39-V250 WeakPolarHBondContact CG-O 3.4Å; P39-C252 PolarHBondContact O-N 3Å
40	V	95.6	Very high	96.2	Very high	21 Å²	21	54.5 Å²	54.5	13%	0.127	26%	0.256	C	S	.	.			trans	-128.9	155.5	171.9	-62.4	0	0	0	0	108.7	M30 L33 K34 I38 F43 C252	M30-V40 HydrophobicContact CB-CG1 4.42Å; M30-V40 HydrophobicContact CG-CG1 4.34Å; L33-V40 HydrophobicContact CB-CG1 3.78Å; L33-V40 HydrophobicContact CD1-CG1 3.57Å; L33-V40 HydrophobicContact CG-CG1 4.35Å; K34-V40 HydrophobicContact CD-CG2 4.08Å; K34-V40 VanDerWaalsContact CE-CG2 3.49Å; K34-V40 HydrophobicContact CG-CG2 3.59Å; I38-V40 PolarHBondContact O-N 3.48Å; V40-F43 HydrophobicContact CG2-CD1 4.42Å; V40-F43 HydrophobicContact CG2-CE1 4.11Å; V40-C252 HydrophobicContact CG1-CB 4.29Å
41	P	93.4	Very high	96.2	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	27%	0.27	C	S	.	.			trans	-54.9	146.5	170.7	-23.4	33.7	0	0	0	111.1	F43 C142 E143 K145 V251 C252 M253	P41-F43 WeakPolarHBondContact O-CD1 3.28Å; P41-F43 PolarHBondContact O-N 3.37Å; P41-C142 HydrophobicContact CB-CB 4.41Å; P41-E143 HydrophobicContact CB-CG 3.84Å; P41-K145 HydrophobicContact CB-CG 4.37Å; P41-K145 HydrophobicContact CG-CG 4.23Å; P41-V251 HydrophobicContact CG-CG1 4.21Å; P41-C252 VanDerWaalsContact CD-O 3.24Å; P41-C252 WeakPolarHBondContact CD-O 3.36Å; P41-M253 HydrophobicContact CG-CE 4.18Å; P41-M253 HydrophobicContact CG-SD 3.78Å
42	K	93.5	Very high	96.1	Very high	138 Å²	138	53.4 Å²	53.4	60%	0.6	25%	0.251	S	S	*	.			trans	-56.4	136.6	165.4	-66.4	177.9	-176.5	176.6	0	109	F59 C142 E143	K42-F59 HydrophobicContact CB-CE1 3.74Å; K42-F59 HydrophobicContact CB-CZ 4.41Å; K42-C142 CarbonylContact O-C 3.46Å; K42-C142 VanDerWaalsContact O-CA 3.27Å; K42-C142 WeakPolarHBondContact O-CA 3.42Å; K42-C142 WeakPolarHBondContact O-CB 3.32Å; K42-E143 HydrophobicContact CB-CB 4.44Å; K42-E143 HydrophobicContact CB-CG 4.06Å; K42-E143 WeakPolarHBondContact CG-OE1 3.27Å; K42-E143 PolarHBondContact N-OE1 3.04Å; K42-E143 PolarHBondContact O-N 3.19Å
43	F	95.3	Very high	96	Very high	22 Å²	22	57.7 Å²	57.7	10%	0.096	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.3	-176.2	69	-102.6	0	0	0	111.4	M30 E31 K34 V40 P41 V45 L140 A141 C142	M30-F43 HydrophobicContact CB-CD1 4.19Å; M30-F43 HydrophobicContact CB-CE1 3.48Å; M30-F43 VanDerWaalsContact CB-CE1 3.48Å; M30-F43 HydrophobicContact CB-CZ 3.88Å; M30-F43 HydrophobicContact CG-CE1 4.43Å; M30-F43 HydrophobicContact SD-CD1 3.9Å; M30-F43 HydrophobicContact SD-CE1 4.16Å; E31-F43 HydrophobicContact CG-CE2 4.31Å; E31-F43 HydrophobicContact CG-CZ 3.85Å; K34-F43 HydrophobicContact CD-CE1 3.97Å; K34-F43 HydrophobicContact CD-CZ 4.27Å; V40-F43 HydrophobicContact CG2-CD1 4.42Å; V40-F43 HydrophobicContact CG2-CE1 4.11Å; P41-F43 WeakPolarHBondContact O-CD1 3.28Å; P41-F43 PolarHBondContact O-N 3.37Å; F43-V45 HydrophobicContact CE2-CG2 4.49Å; F43-L140 HydrophobicContact CB-CD1 3.61Å; F43-L140 HydrophobicContact CB-CG 4.15Å; F43-L140 HydrophobicContact CD2-CD1 3.37Å; F43-L140 HydrophobicContact CE2-CD1 4.22Å; F43-L140 HydrophobicContact CG-CD1 3.69Å; F43-A141 CarbonylContact C-O 3.6Å; F43-A141 VanDerWaalsContact CA-O 3.25Å; F43-A141 WeakPolarHBondContact CA-O 3.43Å; F43-C142 HydrophobicContact CB-CB 3.9Å
44	I	96.1	Very high	95.7	Very high	35 Å²	35	60.4 Å²	60.4	18%	0.179	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134	175.1	-62.2	165.3	0	0	0	107.5	A55 E58 F59 A141	I44-A55 HydrophobicContact CB-CB 3.94Å; I44-A55 HydrophobicContact CD1-CB 3.77Å; I44-A55 HydrophobicContact CG1-CB 4.47Å; I44-A55 HydrophobicContact CG2-CB 3.94Å; I44-E58 HydrophobicContact CD1-CB 3.76Å; I44-E58 VanDerWaalsContact CD1-CD 3.42Å; I44-E58 HydrophobicContact CD1-CG 3.94Å; I44-E58 WeakPolarHBondContact CD1-OE2 3.43Å; I44-F59 HydrophobicContact CB-CE2 4.43Å; I44-F59 HydrophobicContact CD1-CD2 4.33Å; I44-F59 HydrophobicContact CD1-CE2 3.73Å; I44-F59 HydrophobicContact CD1-CZ 4.01Å; I44-F59 HydrophobicContact CG1-CE2 4.08Å; I44-F59 HydrophobicContact CG1-CZ 4.09Å; I44-A141 PolarHBondContact N-O 2.94Å; I44-A141 PolarHBondContact O-N 3.42Å
45	V	97.2	Very high	95.5	Very high	29 Å²	29	55.9 Å²	55.9	18%	0.176	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.5	175.5	-178.3	0	0	0	0	108.3	Y27 F43 T138 L140	Y27-V45 HydrophobicContact CD1-CG2 4.38Å; Y27-V45 HydrophobicContact CD2-CG2 3.89Å; Y27-V45 HydrophobicContact CG-CG2 3.73Å; F43-V45 HydrophobicContact CE2-CG2 4.49Å; V45-T138 HydrophobicContact CG1-CG2 3.36Å; V45-L140 HydrophobicContact CG2-CD1 4.21Å
46	A	97.2	Very high	95.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	-178.9	0	0	0	0	0	111.3	E51 V52 T138 L139	A46-E51 WeakPolarHBondContact CA-OE2 3.13Å; A46-E51 HydrophobicContact CB-CB 3.77Å; A46-V52 HydrophobicContact CB-CG2 3.57Å; A46-T138 WeakPolarHBondContact O-CA 3.34Å; A46-L139 PolarHBondContact N-O 2.83Å; A46-L139 PolarHBondContact O-N 3.42Å
47	R	96.8	Very high	94.9	Very high	145 Å²	145	52.5 Å²	52.5	55%	0.547	26%	0.256	S	S	.	.	S	Bend	trans	-108.9	-10	-178	-60.4	-175.5	179.4	91.7	-0.5	113.4	E51 T138	R47-E51 PolarHBondContact N-OE2 3.4Å; R47-T138 HydrophobicContact CG-CG2 4.36Å
48	N	96.8	Very high	94.5	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.332	26%	0.26	S	S	.	.	S	Bend	trans	-146.1	169.5	176.3	58.6	64.2	0	0	0	109.7	D50 E51 V52	N48-D50 VanDerWaalsContact C-N 3.27Å; N48-D50 PolarHBondContact O-N 3.15Å; N48-D50 WeakPolarHBondContact OD1-CB 3.43Å; N48-D50 PolarHBondContact OD1-N 3.03Å; N48-D50 VanDerWaalsContact OD1-N 3.1Å; N48-E51 VanDerWaalsContact ND2-CD 3.34Å; N48-E51 PolarHBondContact ND2-OE1 3.34Å; N48-E51 PolarHBondContact O-N 3.49Å; N48-E51 WeakPolarHBondContact OD1-CG 3.42Å; N48-E51 PolarHBondContact OD1-N 2.86Å; N48-V52 PolarHBondContact O-N 2.96Å
49	V	95.3	Very high	94	Very high	40 Å²	40	54.1 Å²	54.1	24%	0.242	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-31.2	-177.7	174.9	0	0	0	0	112.3	V52 R53 V113 L120	V49-V52 WeakPolarHBondContact O-CB 3.3Å; V49-V52 PolarHBondContact O-N 3.33Å; V49-R53 PolarHBondContact O-N 3.19Å; V49-V113 HydrophobicContact CG1-CB 4.09Å; V49-V113 HydrophobicContact CG1-CG1 3.5Å; V49-V113 HydrophobicContact CG1-CG2 3.83Å; V49-L120 HydrophobicContact CG2-CD1 4.49Å
50	D	95.2	Very high	93.3	Very high	109 Å²	109	53.5 Å²	53.5	58%	0.583	26%	0.263	S	S	*	.	H	α-helix	trans	-71.6	-36.3	179.3	-66.4	-36	0	0	0	112	N48 V52 R53 A54	N48-D50 VanDerWaalsContact C-N 3.27Å; N48-D50 PolarHBondContact O-N 3.15Å; N48-D50 WeakPolarHBondContact OD1-CB 3.43Å; N48-D50 PolarHBondContact OD1-N 3.03Å; N48-D50 VanDerWaalsContact OD1-N 3.1Å; D50-V52 VanDerWaalsContact C-N 3.31Å; D50-V52 PolarHBondContact O-N 3Å; D50-R53 WeakPolarHBondContact O-CB 3.36Å; D50-R53 PolarHBondContact O-N 2.77Å; D50-R53 IonicContact OD1-NH1 3.46Å; D50-R53 PolarHBondContact OD1-NH1 3.32Å; D50-A54 PolarHBondContact O-N 3.31Å
51	E	96.6	Very high	92.4	Very high	65 Å²	65	52.7 Å²	52.7	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-34.8	170.3	-73.8	173	-153.9	0	0	111.7	A46 R47 N48 A54 A55	A46-E51 WeakPolarHBondContact CA-OE2 3.13Å; A46-E51 HydrophobicContact CB-CB 3.77Å; R47-E51 PolarHBondContact N-OE2 3.4Å; N48-E51 VanDerWaalsContact ND2-CD 3.34Å; N48-E51 PolarHBondContact ND2-OE1 3.34Å; N48-E51 PolarHBondContact O-N 3.49Å; N48-E51 WeakPolarHBondContact OD1-CG 3.42Å; N48-E51 PolarHBondContact OD1-N 2.86Å; E51-A54 PolarHBondContact O-N 2.89Å; E51-A55 WeakPolarHBondContact O-CB 3.35Å; E51-A55 PolarHBondContact O-N 3.43Å
52	V	94.6	Very high	91.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-41.8	171.9	176	0	0	0	0	111.2	A46 N48 V49 D50 A54 A55 C56 L81 A112 A116 L139	A46-V52 HydrophobicContact CB-CG2 3.57Å; N48-V52 PolarHBondContact O-N 2.96Å; V49-V52 WeakPolarHBondContact O-CB 3.3Å; V49-V52 PolarHBondContact O-N 3.33Å; D50-V52 VanDerWaalsContact C-N 3.31Å; D50-V52 PolarHBondContact O-N 3Å; V52-A54 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 3.32Å; V52-A55 PolarHBondContact O-N 2.93Å; V52-C56 PolarHBondContact O-N 2.8Å; V52-C56 PolarHBondContact O-SG 2.84Å; V52-L81 HydrophobicContact CG1-CD1 4.49Å; V52-L81 HydrophobicContact CG1-CD2 4.21Å; V52-A112 HydrophobicContact CG1-CB 4.05Å; V52-A116 HydrophobicContact CB-CB 4.26Å; V52-A116 HydrophobicContact CG1-CB 4.1Å; V52-A116 HydrophobicContact CG2-CB 3.78Å; V52-L139 HydrophobicContact CG2-CD1 4.35Å
53	R	93.8	Very high	89.6	Confident	99 Å²	99	49.8 Å²	49.8	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-43.6	172.8	-78.5	-168.3	-173.3	98.1	3.6	112	V49 D50 A55 C56 K57 M109 V113	V49-R53 PolarHBondContact O-N 3.19Å; D50-R53 WeakPolarHBondContact O-CB 3.36Å; D50-R53 PolarHBondContact O-N 2.77Å; D50-R53 IonicContact OD1-NH1 3.46Å; D50-R53 PolarHBondContact OD1-NH1 3.32Å; R53-A55 VanDerWaalsContact C-N 3.32Å; R53-C56 WeakPolarHBondContact O-CB 2.9Å; R53-C56 PolarHBondContact O-N 2.71Å; R53-K57 WeakPolarHBondContact O-CG 3.41Å; R53-K57 PolarHBondContact O-N 2.86Å; R53-M109 HydrophobicContact CB-SD 4.18Å; R53-M109 HydrophobicContact CG-CG 4.03Å; R53-M109 HydrophobicContact CG-SD 3.87Å; R53-V113 HydrophobicContact CG-CG2 3.55Å
54	A	92.9	Very high	87.9	Confident	57 Å²	57	54.9 Å²	54.9	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-44.5	177.7	0	0	0	0	0	110.9	D50 E51 V52 C56 K57 E58	D50-A54 PolarHBondContact O-N 3.31Å; E51-A54 PolarHBondContact O-N 2.89Å; V52-A54 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 3.32Å; A54-C56 VanDerWaalsContact C-N 3.33Å; A54-C56 PolarHBondContact O-N 2.86Å; A54-K57 PolarHBondContact O-N 2.92Å; A54-E58 PolarHBondContact O-N 2.92Å
55	A	92.5	Very high	86.2	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-42.3	174.4	0	0	0	0	0	112.2	I44 E51 V52 R53 K57 E58 F59 A141	I44-A55 HydrophobicContact CB-CB 3.94Å; I44-A55 HydrophobicContact CD1-CB 3.77Å; I44-A55 HydrophobicContact CG1-CB 4.47Å; I44-A55 HydrophobicContact CG2-CB 3.94Å; E51-A55 WeakPolarHBondContact O-CB 3.35Å; E51-A55 PolarHBondContact O-N 3.43Å; V52-A55 PolarHBondContact O-N 2.93Å; R53-A55 VanDerWaalsContact C-N 3.32Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.34Å; A55-E58 PolarHBondContact O-N 3.48Å; A55-F59 HydrophobicContact CB-CE2 4.4Å; A55-F59 WeakPolarHBondContact O-CD2 3.29Å; A55-F59 PolarHBondContact O-N 2.89Å; A55-A141 HydrophobicContact CB-CB 3.83Å
56	C	91.3	Very high	84.3	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-46.3	175.4	-67	0	0	0	0	112.3	V52 R53 A54 E58 F59 G60 I61 I79 M109 A112	V52-C56 PolarHBondContact O-N 2.8Å; V52-C56 PolarHBondContact O-SG 2.84Å; R53-C56 WeakPolarHBondContact O-CB 2.9Å; R53-C56 PolarHBondContact O-N 2.71Å; A54-C56 VanDerWaalsContact C-N 3.33Å; A54-C56 PolarHBondContact O-N 2.86Å; C56-E58 PolarHBondContact O-N 3.38Å; C56-F59 PolarHBondContact O-N 3.29Å; C56-G60 PolarHBondContact O-N 2.8Å; C56-I61 CarbonylContact C-O 3.41Å; C56-I61 HydrophobicContact CB-CB 4.18Å; C56-I61 PolarHBondContact O-N 2.8Å; C56-I79 HydrophobicContact CB-CD1 4.09Å; C56-M109 HydrophobicContact CB-CB 4.33Å; C56-M109 HydrophobicContact CB-CE 3.99Å; C56-M109 HydrophobicContact CB-CG 4.06Å; C56-A112 WeakPolarHBondContact SG-CB 3.34Å
57	K	88.8	Confident	82.4	Confident	107 Å²	107	69 Å²	69	47%	0.465	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-41.6	177.1	-67.9	-176.6	177.9	-165.6	0	112.2	R53 A54 A55 F59 G60 M109	R53-K57 WeakPolarHBondContact O-CG 3.41Å; R53-K57 PolarHBondContact O-N 2.86Å; A54-K57 PolarHBondContact O-N 2.92Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.34Å; K57-F59 VanDerWaalsContact C-N 3.34Å; K57-F59 PolarHBondContact O-N 2.94Å; K57-G60 PolarHBondContact O-N 3.4Å; K57-G60 VanDerWaalsContact O-N 3.09Å; K57-M109 HydrophobicContact CD-CE 4.39Å; K57-M109 HydrophobicContact CG-CE 3.53Å
58	E	88	Confident	80.4	Confident	151 Å²	151	70 Å²	70	71%	0.706	35%	0.349	S	S	*	.	H	α-helix	trans	-66.3	-35.1	179.4	-170.7	170.7	159.2	0	0	112.6	I44 A54 A55 C56 G60	I44-E58 HydrophobicContact CD1-CB 3.76Å; I44-E58 VanDerWaalsContact CD1-CD 3.42Å; I44-E58 HydrophobicContact CD1-CG 3.94Å; I44-E58 WeakPolarHBondContact CD1-OE2 3.43Å; A54-E58 PolarHBondContact O-N 2.92Å; A55-E58 PolarHBondContact O-N 3.48Å; C56-E58 PolarHBondContact O-N 3.38Å; E58-G60 PolarHBondContact O-N 3.09Å
59	F	87.8	Confident	78.5	Confident	19 Å²	19	73.8 Å²	73.8	8%	0.083	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.9	172.8	-67.2	-59.4	0	0	0	114.1	K42 I44 A55 C56 K57 I79 A141 E143	K42-F59 HydrophobicContact CB-CE1 3.74Å; K42-F59 HydrophobicContact CB-CZ 4.41Å; I44-F59 HydrophobicContact CB-CE2 4.43Å; I44-F59 HydrophobicContact CD1-CD2 4.33Å; I44-F59 HydrophobicContact CD1-CE2 3.73Å; I44-F59 HydrophobicContact CD1-CZ 4.01Å; I44-F59 HydrophobicContact CG1-CE2 4.08Å; I44-F59 HydrophobicContact CG1-CZ 4.09Å; A55-F59 HydrophobicContact CB-CE2 4.4Å; A55-F59 WeakPolarHBondContact O-CD2 3.29Å; A55-F59 PolarHBondContact O-N 2.89Å; C56-F59 PolarHBondContact O-N 3.29Å; K57-F59 VanDerWaalsContact C-N 3.34Å; K57-F59 PolarHBondContact O-N 2.94Å; F59-I79 HydrophobicContact CB-CD1 3.78Å; F59-I79 HydrophobicContact CB-CG1 3.85Å; F59-I79 HydrophobicContact CD2-CD1 3.76Å; F59-I79 HydrophobicContact CD2-CG1 3.86Å; F59-I79 HydrophobicContact CG-CD1 4.18Å; F59-I79 HydrophobicContact CG-CG1 4.08Å; F59-A141 HydrophobicContact CE2-CB 4.39Å; F59-A141 WeakPolarHBondContact CE2-O 3.28Å; F59-E143 HydrophobicContact CD1-CB 4.08Å; F59-E143 HydrophobicContact CE1-CB 3.98Å
60	G	81.1	Confident	76.6	Confident	21 Å²	21	74.1 Å²	74.1	22%	0.216	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	9.6	175.7	0	0	0	0	0	115.3	C56 K57 E58 L62	C56-G60 PolarHBondContact O-N 2.8Å; K57-G60 PolarHBondContact O-N 3.4Å; K57-G60 VanDerWaalsContact O-N 3.09Å; E58-G60 PolarHBondContact O-N 3.09Å; G60-L62 PolarHBondContact O-N 2.72Å
61	I	76	Confident	74.6	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	38%	0.383	C	S	.	.			trans	-82.3	101.6	170.1	-56	-166.6	0	0	0	108.3	C56 T77 I79 M109	C56-I61 CarbonylContact C-O 3.41Å; C56-I61 HydrophobicContact CB-CB 4.18Å; C56-I61 PolarHBondContact O-N 2.8Å; I61-T77 WeakPolarHBondContact CG1-O 3.49Å; I61-I79 HydrophobicContact CB-CD1 4.43Å; I61-I79 HydrophobicContact CD1-CB 4.2Å; I61-I79 HydrophobicContact CD1-CD1 3.49Å; I61-I79 VanDerWaalsContact CD1-CD1 3.49Å; I61-I79 HydrophobicContact CD1-CG1 3.61Å; I61-I79 HydrophobicContact CG1-CD1 3.92Å; I61-I79 HydrophobicContact CG1-CG1 4.27Å; I61-M109 HydrophobicContact CG2-CB 4.33Å; I61-M109 VanDerWaalsContact O-CE 3.25Å; I61-M109 WeakPolarHBondContact O-CE 3.47Å
62	L	65.7	Low	72.3	Confident	46 Å²	46	74.4 Å²	74.4	24%	0.241	39%	0.392	C	S	.	.			trans	-91.7	154.4	178.1	-63.3	176	0	0	0	111.7	G60 E66 L67	G60-L62 PolarHBondContact O-N 2.72Å; L62-E66 HydrophobicContact CB-CB 4.39Å; L62-L67 HydrophobicContact CB-CD1 3.86Å; L62-L67 HydrophobicContact CD1-CD1 4.45Å
63	P	62.9	Low	70.1	Confident	33 Å²	33	81.5 Å²	81.5	21%	0.214	44%	0.435	C	S	.	.			trans	-57.7	143.9	168.9	-17	29.2	0	0	0	110.6	K65 E66 L67 M109	P63-K65 PolarHBondContact O-N 3.48Å; P63-E66 WeakPolarHBondContact CD-OE2 3.41Å; P63-E66 HydrophobicContact CG-CG 4.35Å; P63-E66 PolarHBondContact O-N 3.4Å; P63-L67 PolarHBondContact O-N 3.47Å; P63-L67 VanDerWaalsContact O-N 3.1Å; P63-M109 HydrophobicContact CG-CE 3.88Å; P63-M109 HydrophobicContact CG-SD 3.94Å
64	E	60.1	Low	68	Low	128 Å²	128	85.1 Å²	85.1	60%	0.598	45%	0.449	S	S	*	.	H	α-helix	trans	-50.8	-38.4	-178.2	-67	-177.3	168.8	0	0	112.5	E66 L67 E68	E64-E66 VanDerWaalsContact C-N 3.32Å; E64-E66 PolarHBondContact O-N 3.32Å; E64-L67 WeakPolarHBondContact O-CB 3.45Å; E64-L67 PolarHBondContact O-N 3.06Å; E64-E68 PolarHBondContact O-N 3.2Å
65	K	59	Low	66.1	Low	170 Å²	170	91.4 Å²	91.4	74%	0.739	47%	0.469	S	S	*	.	H	α-helix	trans	-65.9	-26.3	177.8	-63.3	-176.6	179.7	178.6	0	115	P63 N69	P63-K65 PolarHBondContact O-N 3.48Å; K65-N69 PolarHBondContact O-ND2 3.38Å
66	E	58.4	Low	64.3	Low	90 Å²	90	94.1 Å²	94.1	42%	0.421	49%	0.487	S	S	.	.	H	α-helix	trans	-88.6	-29.2	175.5	-68.5	-178.9	-172.9	0	0	111	L62 P63 E64 E68 N69 S70	L62-E66 HydrophobicContact CB-CB 4.39Å; P63-E66 WeakPolarHBondContact CD-OE2 3.41Å; P63-E66 HydrophobicContact CG-CG 4.35Å; P63-E66 PolarHBondContact O-N 3.4Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E64-E66 PolarHBondContact O-N 3.32Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-N69 PolarHBondContact O-N 3.46Å; E66-S70 WeakPolarHBondContact O-CB 3.45Å; E66-S70 PolarHBondContact O-N 2.92Å; E66-S70 PolarHBondContact O-OG 2.91Å
67	L	56.9	Low	63.2	Low	100 Å²	100	96.4 Å²	96.4	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-42.4	173.8	-137.6	84.4	0	0	0	111.3	L62 P63 E64 N69 S70	L62-L67 HydrophobicContact CB-CD1 3.86Å; L62-L67 HydrophobicContact CD1-CD1 4.45Å; P63-L67 PolarHBondContact O-N 3.47Å; P63-L67 VanDerWaalsContact O-N 3.1Å; E64-L67 WeakPolarHBondContact O-CB 3.45Å; E64-L67 PolarHBondContact O-N 3.06Å; L67-N69 VanDerWaalsContact C-N 3.26Å; L67-N69 PolarHBondContact O-N 2.9Å; L67-S70 PolarHBondContact O-OG 3.28Å
68	E	55.1	Low	63.1	Low	166 Å²	166	92.4 Å²	92.4	78%	0.776	49%	0.485	S	S	*	.	H	α-helix	trans	-63	-28.5	177.7	-74.1	-177.3	164	0	0	113.7	E64 E66	E64-E68 PolarHBondContact O-N 3.2Å; E66-E68 VanDerWaalsContact C-N 3.35Å
69	N	55.6	Low	63.3	Low	142 Å²	142	85.2 Å²	85.2	76%	0.759	45%	0.452	S	S	*	.	H	α-helix	trans	-100.7	-16.4	-174.4	-72.9	-54.4	0	0	0	114.5	K65 E66 L67	K65-N69 PolarHBondContact O-ND2 3.38Å; E66-N69 PolarHBondContact O-N 3.46Å; L67-N69 VanDerWaalsContact C-N 3.26Å; L67-N69 PolarHBondContact O-N 2.9Å
70	S	56.4	Low	63.6	Low	47 Å²	47	85.1 Å²	85.1	33%	0.329	45%	0.453	S	S	.	.	H	α-helix	trans	-81.6	-27.8	-173.7	59	0	0	0	0	113.6	E66 L67 E72	E66-S70 WeakPolarHBondContact O-CB 3.45Å; E66-S70 PolarHBondContact O-N 2.92Å; E66-S70 PolarHBondContact O-OG 2.91Å; L67-S70 PolarHBondContact O-OG 3.28Å; S70-E72 PolarHBondContact O-N 3.02Å
71	G	53.7	Low	64.3	Low	77 Å²	77	84.1 Å²	84.1	79%	0.794	44%	0.442	S	S	*	.			trans	58.2	6.9	-173.3	0	0	0	0	0	113.9
72	E	48.3	Very low	65.3	Low	104 Å²	104	84.7 Å²	84.7	49%	0.486	45%	0.445	S	S	.	.			trans	-88.5	113.7	-175.9	-77.2	-172.7	170.5	0	0	109.5	S70 R74	S70-E72 PolarHBondContact O-N 3.02Å; E72-R74 PolarHBondContact O-N 3.48Å; E72-R74 IonicContact OE2-CZ 2.88Å; E72-R74 IonicContact OE2-NE 3.42Å; E72-R74 IonicContact OE2-NH1 3.56Å; E72-R74 PolarHBondContact OE2-NH1 2.78Å
73	T	47.4	Very low	66.8	Low	149 Å²	149	82.5 Å²	82.5	91%	0.914	43%	0.433	S	S	*	.			trans	-75.2	69.5	162.8	51.9	0	0	0	0	109.2
74	R	49.9	Very low	68.4	Low	175 Å²	175	81 Å²	81	66%	0.66	42%	0.424	S	S	*	.			trans	-79.8	134	163.8	-83.4	-179.8	164.3	158.3	-2.5	108.4	E72 S76	E72-R74 PolarHBondContact O-N 3.48Å; E72-R74 IonicContact OE2-CZ 2.88Å; E72-R74 IonicContact OE2-NE 3.42Å; E72-R74 IonicContact OE2-NH1 3.56Å; E72-R74 PolarHBondContact OE2-NH1 2.78Å; R74-S76 VanDerWaalsContact C-N 3.25Å; R74-S76 PolarHBondContact O-N 2.82Å
75	E	52.5	Low	70.1	Confident	188 Å²	188	75.3 Å²	75.3	88%	0.879	40%	0.397	S	S	*	.			trans	-63.2	90.7	169.5	-70.8	-176.3	162.1	0	0	108.1	T77	E75-T77 PolarHBondContact O-N 2.92Å; E75-T77 VanDerWaalsContact O-N 3.12Å; E75-T77 PolarHBondContact O-OG1 2.72Å
76	S	55.3	Low	71.6	Confident	58 Å²	58	68.1 Å²	68.1	41%	0.406	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-55.5	117.9	172.1	174.6	0	0	0	0	107.9	R74	R74-S76 VanDerWaalsContact C-N 3.25Å; R74-S76 PolarHBondContact O-N 2.82Å
77	T	68.5	Low	73	Confident	50 Å²	50	64.2 Å²	64.2	31%	0.307	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-92.8	117.1	176.6	-37	0	0	0	0	107.4	I61 E75 E143	I61-T77 WeakPolarHBondContact CG1-O 3.49Å; E75-T77 PolarHBondContact O-N 2.92Å; E75-T77 VanDerWaalsContact O-N 3.12Å; E75-T77 PolarHBondContact O-OG1 2.72Å; T77-E143 HydrophobicContact CG2-CB 4.34Å
78	D	86.5	Confident	74.5	Confident	23 Å²	23	60.1 Å²	60.1	12%	0.123	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-51.3	149.5	172.2	-54.7	-21.2	0	0	0	110.2	I105 Y107 R144 Y146	D78-I105 HydrophobicContact CB-CG2 4.35Å; D78-Y107 HydrophobicContact CB-CD1 4.36Å; D78-Y107 HydrophobicContact CB-CE1 4.49Å; D78-Y107 WeakPolarHBondContact OD1-CD1 3.38Å; D78-Y107 VanDerWaalsContact OD2-CE1 3.27Å; D78-Y107 WeakPolarHBondContact OD2-CE1 3.31Å; D78-R144 HydrophobicContact CB-CB 3.87Å; D78-R144 HydrophobicContact CB-CG 4.39Å; D78-R144 WeakPolarHBondContact O-CB 3.43Å; D78-R144 PolarHBondContact O-N 3.36Å; D78-R144 WeakPolarHBondContact OD2-CD 3.39Å; D78-R144 IonicContact OD2-CZ 3.31Å; D78-R144 IonicContact OD2-NE 3.09Å; D78-R144 IonicContact OD2-NH1 4Å; D78-R144 PolarHBondContact OD2-NH1 2.94Å; D78-Y146 PolarHBondContact OD2-OH 3.41Å
79	I	92.1	Very high	75.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.1	-179.6	-65.6	166.5	0	0	0	109.1	C56 F59 I61 L81 I105 V106 A141 C142	C56-I79 HydrophobicContact CB-CD1 4.09Å; F59-I79 HydrophobicContact CB-CD1 3.78Å; F59-I79 HydrophobicContact CB-CG1 3.85Å; F59-I79 HydrophobicContact CD2-CD1 3.76Å; F59-I79 HydrophobicContact CD2-CG1 3.86Å; F59-I79 HydrophobicContact CG-CD1 4.18Å; F59-I79 HydrophobicContact CG-CG1 4.08Å; I61-I79 HydrophobicContact CB-CD1 4.43Å; I61-I79 HydrophobicContact CD1-CB 4.2Å; I61-I79 HydrophobicContact CD1-CD1 3.49Å; I61-I79 VanDerWaalsContact CD1-CD1 3.49Å; I61-I79 HydrophobicContact CD1-CG1 3.61Å; I61-I79 HydrophobicContact CG1-CD1 3.92Å; I61-I79 HydrophobicContact CG1-CG1 4.27Å; I79-L81 HydrophobicContact CG2-CD2 4.13Å; I79-I105 WeakPolarHBondContact O-CA 3.25Å; I79-V106 HydrophobicContact CB-CG2 3.91Å; I79-V106 HydrophobicContact CG2-CG2 4.25Å; I79-V106 PolarHBondContact N-O 2.85Å; I79-V106 VanDerWaalsContact N-O 3.16Å; I79-V106 WeakPolarHBondContact O-CG2 3.4Å; I79-V106 PolarHBondContact O-N 3.17Å; I79-A141 HydrophobicContact CG2-CB 4.08Å; I79-C142 WeakPolarHBondContact CA-O 3.31Å
80	V	94.5	Very high	77.5	Confident	17 Å²	17	49 Å²	49	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.9	167.3	-170.6	0	0	0	0	108.6	K82 V103 K104 I105 C142 R144	V80-K82 HydrophobicContact CG1-CG 4.07Å; V80-V103 HydrophobicContact CG1-CG1 3.66Å; V80-K104 CarbonylContact C-O 3.48Å; V80-K104 VanDerWaalsContact CA-O 3.28Å; V80-K104 WeakPolarHBondContact CA-O 3.36Å; V80-I105 HydrophobicContact CG2-CG1 4.16Å; V80-C142 PolarHBondContact N-O 3.31Å; V80-C142 PolarHBondContact O-N 2.94Å; V80-C142 PolarHBondContact O-SG 3.02Å; V80-C142 VanDerWaalsContact O-SG 3.41Å; V80-R144 HydrophobicContact CG2-CB 4.02Å; V80-R144 HydrophobicContact CG2-CG 4.25Å
81	L	96.5	Very high	79	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.8	171	-62.3	-180	0	0	0	109.1	V52 I79 V103 K104 V106 A112 V115 A116 A141	V52-L81 HydrophobicContact CG1-CD1 4.49Å; V52-L81 HydrophobicContact CG1-CD2 4.21Å; I79-L81 HydrophobicContact CG2-CD2 4.13Å; L81-V103 CarbonylContact O-C 3.54Å; L81-V103 WeakPolarHBondContact O-CA 3.3Å; L81-K104 PolarHBondContact N-O 2.93Å; L81-K104 PolarHBondContact O-N 2.8Å; L81-V106 HydrophobicContact CD1-CG1 4.14Å; L81-V106 HydrophobicContact CD1-CG2 4.29Å; L81-V106 HydrophobicContact CG-CG1 4.49Å; L81-V106 HydrophobicContact CG-CG2 4.13Å; L81-A112 HydrophobicContact CD1-CB 4.29Å; L81-A112 WeakPolarHBondContact CD1-O 3.45Å; L81-V115 HydrophobicContact CD1-CB 4.12Å; L81-V115 HydrophobicContact CD1-CG1 3.88Å; L81-A116 HydrophobicContact CD1-CB 4.42Å; L81-A141 HydrophobicContact CD2-CB 3.78Å
82	K	96.8	Very high	80.7	Confident	16 Å²	16	54.1 Å²	54.1	7%	0.07	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.2	178.9	-49.6	-173.2	-177.1	-175.6	0	111.3	E26 V80 Q84 V103 L139 L140 C142 M253	E26-K82 VanDerWaalsContact OE1-CD 3.24Å; E26-K82 WeakPolarHBondContact OE1-CD 3.43Å; E26-K82 IonicContact OE1-NZ 3.31Å; E26-K82 PolarHBondContact OE1-NZ 2.94Å; E26-K82 WeakPolarHBondContact OE2-CD 3.3Å; V80-K82 HydrophobicContact CG1-CG 4.07Å; K82-Q84 PolarHBondContact O-N 2.93Å; K82-Q84 PolarHBondContact O-NE2 2.69Å; K82-V103 HydrophobicContact CB-CG2 4.41Å; K82-V103 HydrophobicContact CG-CG1 4.18Å; K82-V103 HydrophobicContact CG-CG2 4.3Å; K82-L139 WeakPolarHBondContact O-CA 3.45Å; K82-L140 HydrophobicContact CB-CB 4.27Å; K82-L140 HydrophobicContact CD-CD2 4.5Å; K82-L140 PolarHBondContact N-O 3.37Å; K82-L140 PolarHBondContact O-N 3.44Å; K82-C142 VanDerWaalsContact CE-SG 3.58Å; K82-M253 PolarHBondContact NZ-O 2.99Å
83	A	97.2	Very high	82.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	129.1	173.9	0	0	0	0	0	111.4	V85 R90 W95 G102 M119	A83-V85 PolarHBondContact O-N 3.05Å; A83-R90 VanDerWaalsContact O-CD 3.26Å; A83-R90 WeakPolarHBondContact O-CD 3.48Å; A83-R90 PolarHBondContact O-NH1 3.28Å; A83-W95 HydrophobicContact CB-CH2 3.67Å; A83-W95 HydrophobicContact CB-CZ2 3.64Å; A83-G102 WeakPolarHBondContact CB-O 3.32Å; A83-G102 PolarHBondContact N-O 3.18Å; A83-M119 HydrophobicContact CB-CE 3.74Å
84	Q	96.8	Very high	85.1	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	25%	0.251	C	S	.	.			trans	-96.4	93.2	174.9	-58.5	-59.7	-68.1	0	0	109	H25 E26 Y27 K82 T138 L140	H25-Q84 PolarHBondContact CE1-O 3.38Å; H25-Q84 VanDerWaalsContact CE1-O 3.29Å; E26-Q84 PolarHBondContact OE2-NE2 2.87Å; Y27-Q84 HydrophobicContact CD1-CB 4.41Å; Y27-Q84 HydrophobicContact CD1-CG 3.97Å; Y27-Q84 VanDerWaalsContact N-OE1 3.13Å; K82-Q84 PolarHBondContact O-N 2.93Å; K82-Q84 PolarHBondContact O-NE2 2.69Å; Q84-T138 HydrophobicContact CB-CG2 4.19Å; Q84-T138 VanDerWaalsContact CB-O 3.27Å; Q84-T138 WeakPolarHBondContact CB-O 3.37Å; Q84-T138 HydrophobicContact CG-CG2 4.07Å; Q84-T138 PolarHBondContact N-O 3.36Å; Q84-L140 HydrophobicContact CG-CB 4.06Å
85	V	94.2	Very high	87.3	Confident	8 Å²	8	37.4 Å²	37.4	5%	0.048	22%	0.22	C	C	.	.			trans	-134.9	149.6	173.3	-64.9	0	0	0	0	108.3	A83 A87 R90 I124 Q134 C136	A83-V85 PolarHBondContact O-N 3.05Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.07Å; V85-R90 HydrophobicContact CG2-CG 3.81Å; V85-I124 HydrophobicContact CB-CG2 4.37Å; V85-I124 HydrophobicContact CG1-CG2 3.82Å; V85-I124 HydrophobicContact CG2-CG2 3.87Å; V85-Q134 HydrophobicContact CB-CB 4.22Å; V85-Q134 HydrophobicContact CG1-CB 4.09Å; V85-C136 HydrophobicContact CG1-CB 4.04Å
86	L	92.1	Very high	89.4	Confident	19 Å²	19	32.2 Å²	32.2	10%	0.099	20%	0.198	C	C	.	.	S	Bend	trans	-76.2	-16.9	-174.9	-60.6	-179.4	0	0	0	113.3	K23 Q278	K23-L86 HydrophobicContact CB-CB 4.4Å; K23-L86 HydrophobicContact CB-CD1 4.22Å; K23-L86 HydrophobicContact CB-CD2 4.16Å; K23-L86 HydrophobicContact CB-CG 4.5Å; K23-L86 HydrophobicContact CD-CB 4.43Å; L86-Q278 HydrophobicContact CB-CB 4.41Å; L86-Q278 HydrophobicContact CD1-CB 3.51Å; L86-Q278 HydrophobicContact CD1-CG 4.08Å; L86-Q278 HydrophobicContact CG-CB 3.79Å; L86-Q278 HydrophobicContact CG-CG 3.95Å
87	A	87.6	Confident	91.4	Very high	8 Å²	8	31.3 Å²	31.3	7%	0.066	19%	0.192	C	C	.	.	S	Bend	trans	-74.8	141.7	173.5	0	0	0	0	0	112.4	V85 R90 Q128 T129	V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 3.07Å; A87-R90 WeakPolarHBondContact O-CG 3.31Å; A87-Q128 HydrophobicContact CB-CB 4.14Å; A87-T129 HydrophobicContact CB-CG2 3.45Å; A87-T129 VanDerWaalsContact CB-CG2 3.45Å
88	G	86.6	Confident	92.6	Very high	14 Å²	14	31.6 Å²	31.6	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	-77.2	179.7	170	0	0	0	0	0	112.7	R90 T126	G88-R90 VanDerWaalsContact C-N 3.28Å; G88-R90 PolarHBondContact O-N 3.02Å; G88-T126 PolarHBondContact O-OG1 2.92Å
89	G	85.2	Confident	93.1	Very high	49 Å²	49	31.5 Å²	31.5	51%	0.505	20%	0.204	S	C	.	.			trans	76	13.4	177	0	0	0	0	0	114.8	G91 K92 G93	G89-G91 PolarHBondContact O-N 3.44Å; G89-G91 VanDerWaalsContact O-N 3.16Å; G89-K92 PolarHBondContact O-N 2.79Å; G89-G93 PolarHBondContact O-N 3.37Å
90	R	90.4	Very high	93.3	Very high	24 Å²	24	39 Å²	39	9%	0.091	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-48.8	-42.7	-179.2	-60	174.5	-69.1	164.7	-1.3	112.7	E26 A83 V85 A87 G88 K92 G93 G102 I124 D254	E26-R90 IonicContact OE2-CZ 2.95Å; E26-R90 VanDerWaalsContact OE2-CZ 3.28Å; E26-R90 IonicContact OE2-NH1 2.79Å; E26-R90 PolarHBondContact OE2-NH1 3.29Å; E26-R90 IonicContact OE2-NH2 3.4Å; E26-R90 PolarHBondContact OE2-NH2 3.41Å; A83-R90 VanDerWaalsContact O-CD 3.26Å; A83-R90 WeakPolarHBondContact O-CD 3.48Å; A83-R90 PolarHBondContact O-NH1 3.28Å; V85-R90 HydrophobicContact CG2-CG 3.81Å; A87-R90 WeakPolarHBondContact O-CG 3.31Å; G88-R90 VanDerWaalsContact C-N 3.28Å; G88-R90 PolarHBondContact O-N 3.02Å; R90-K92 PolarHBondContact O-N 3.24Å; R90-K92 VanDerWaalsContact O-N 3.14Å; R90-G93 PolarHBondContact O-N 3Å; R90-G102 WeakPolarHBondContact O-CA 3.23Å; R90-G102 PolarHBondContact O-N 3.38Å; R90-I124 HydrophobicContact CB-CD1 4.5Å; R90-D254 IonicContact NH2-OD1 2.74Å; R90-D254 PolarHBondContact NH2-OD1 3.49Å; R90-D254 IonicContact NH2-OD2 2.74Å; R90-D254 PolarHBondContact NH2-OD2 3.07Å
91	G	87.9	Confident	93.2	Very high	50 Å²	50	38.5 Å²	38.5	52%	0.515	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.1	-28.4	-179	0	0	0	0	0	114.9	G89 G101	G89-G91 PolarHBondContact O-N 3.44Å; G89-G91 VanDerWaalsContact O-N 3.16Å; G91-G101 WeakPolarHBondContact O-CA 3.49Å
92	K	88.1	Confident	93.1	Very high	183 Å²	183	38.5 Å²	38.5	80%	0.796	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-103.8	3.7	177.3	-62.8	-178.5	-178	176.5	0	113.2	G89 R90	G89-K92 PolarHBondContact O-N 2.79Å; R90-K92 PolarHBondContact O-N 3.24Å; R90-K92 VanDerWaalsContact O-N 3.14Å
93	G	92.3	Very high	93	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	25%	0.249	C	C	.	.			trans	-69	158.3	-177.5	0	0	0	0	0	113.2	G89 R90 G101 Y125	G89-G93 PolarHBondContact O-N 3.37Å; R90-G93 PolarHBondContact O-N 3Å; G93-G101 WeakPolarHBondContact O-CA 3.3Å; G93-G101 PolarHBondContact O-N 2.69Å; G93-Y125 CarbonylContact C-O 3.55Å; G93-Y125 WeakPolarHBondContact CA-O 3.39Å
94	T	96.3	Very high	92.9	Very high	70 Å²	70	43.3 Å²	43.3	43%	0.429	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.6	171.8	-54.8	0	0	0	0	108.9	Y125	T94-Y125 PolarHBondContact N-O 2.95Å; T94-Y125 WeakPolarHBondContact O-CD2 3.45Å; T94-Y125 PolarHBondContact O-N 2.89Å
95	W	97.1	Very high	92.8	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.019	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	151.1	178.1	-63.2	84.3	0	0	0	111.2	A83 S97 G98 L99 G101 M119 H122 R123 I124 C136	A83-W95 HydrophobicContact CB-CH2 3.67Å; A83-W95 HydrophobicContact CB-CZ2 3.64Å; W95-S97 VanDerWaalsContact CB-OG 3.25Å; W95-S97 WeakPolarHBondContact CB-OG 3.5Å; W95-S97 PolarHBondContact O-N 3.16Å; W95-G98 PolarHBondContact O-N 2.97Å; W95-L99 HydrophobicContact CB-CB 4.02Å; W95-L99 VanDerWaalsContact CD1-O 3.23Å; W95-L99 HydrophobicContact CG-CB 3.95Å; W95-L99 HydrophobicContact CG-CD2 4.45Å; W95-L99 PolarHBondContact N-O 3.43Å; W95-G101 PolarHBondContact NE1-O 3.41Å; W95-M119 HydrophobicContact CD2-CG 4.41Å; W95-M119 HydrophobicContact CE3-CB 4.48Å; W95-M119 HydrophobicContact CH2-CB 3.63Å; W95-M119 HydrophobicContact CH2-CE 4.01Å; W95-M119 HydrophobicContact CH2-CG 3.92Å; W95-M119 HydrophobicContact CZ2-CB 3.89Å; W95-M119 HydrophobicContact CZ2-CE 3.45Å; W95-M119 VanDerWaalsContact CZ2-CE 3.45Å; W95-M119 HydrophobicContact CZ2-CG 3.61Å; W95-M119 HydrophobicContact CZ2-SD 4.34Å; W95-M119 HydrophobicContact CZ3-CB 3.96Å; W95-M119 HydrophobicContact CZ3-CG 4.44Å; W95-M119 WeakPolarHBondContact CZ3-O 3.37Å; W95-H122 HydrophobicContact CE3-CB 3.86Å; W95-H122 HydrophobicContact CZ3-CB 4.26Å; W95-R123 CarbonylContact C-O 3.51Å; W95-R123 WeakPolarHBondContact CA-O 3.44Å; W95-I124 HydrophobicContact CD2-CB 3.99Å; W95-I124 HydrophobicContact CD2-CG1 4.24Å; W95-I124 HydrophobicContact CE3-CB 3.9Å; W95-I124 HydrophobicContact CH2-CB 4.04Å; W95-I124 HydrophobicContact CH2-CD1 4.46Å; W95-I124 HydrophobicContact CH2-CG2 4.48Å; W95-I124 HydrophobicContact CZ2-CB 4.11Å; W95-I124 HydrophobicContact CZ2-CD1 3.81Å; W95-I124 HydrophobicContact CZ2-CG1 4.28Å; W95-I124 HydrophobicContact CZ3-CB 3.92Å; W95-C136 HydrophobicContact CH2-CB 3.54Å; W95-C136 HydrophobicContact CZ3-CB 3.49Å; W95-C136 VanDerWaalsContact CZ3-CB 3.49Å
96	D	96.3	Very high	92.7	Very high	79 Å²	79	46 Å²	46	42%	0.422	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.2	168.4	56.1	10.9	0	0	0	112.9	G98 H122 R123 Y125	D96-G98 PolarHBondContact O-N 3.03Å; D96-H122 WeakPolarHBondContact OD1-CA 3.27Å; D96-H122 WeakPolarHBondContact OD1-CB 3.42Å; D96-H122 IonicContact OD1-CE1 3.92Å; D96-H122 IonicContact OD1-CG 2.72Å; D96-H122 VanDerWaalsContact OD1-CG 3.28Å; D96-H122 IonicContact OD1-ND1 2.92Å; D96-H122 PolarHBondContact OD1-ND1 3.3Å; D96-R123 VanDerWaalsContact CG-N 3.27Å; D96-R123 PolarHBondContact N-O 2.93Å; D96-R123 PolarHBondContact OD1-N 3.48Å; D96-R123 WeakPolarHBondContact OD2-CB 3.35Å; D96-R123 PolarHBondContact OD2-N 3.31Å; D96-Y125 HydrophobicContact CB-CE2 4Å
97	S	96.1	Very high	92.6	Very high	39 Å²	39	51 Å²	51	27%	0.273	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.8	170	62.8	0	0	0	0	114.2	W95 Q118	W95-S97 VanDerWaalsContact CB-OG 3.25Å; W95-S97 WeakPolarHBondContact CB-OG 3.5Å; W95-S97 PolarHBondContact O-N 3.16Å; S97-Q118 WeakPolarHBondContact CB-O 3.41Å; S97-Q118 PolarHBondContact OG-O 2.87Å
98	G	95	Very high	92.6	Very high	56 Å²	56	52.2 Å²	52.2	58%	0.577	30%	0.301	S	S	*	.	S	Bend	trans	90.2	-7.5	-174.4	0	0	0	0	0	114.7	W95 D96	W95-G98 PolarHBondContact O-N 2.97Å; D96-G98 PolarHBondContact O-N 3.03Å
99	L	96.2	Very high	92.8	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	30%	0.297	C	S	.	.			trans	-60.7	145.2	172.1	-174.7	68.9	0	0	0	110.2	W95 V115 Q118 M119	W95-L99 HydrophobicContact CB-CB 4.02Å; W95-L99 VanDerWaalsContact CD1-O 3.23Å; W95-L99 HydrophobicContact CG-CB 3.95Å; W95-L99 HydrophobicContact CG-CD2 4.45Å; W95-L99 PolarHBondContact N-O 3.43Å; L99-V115 HydrophobicContact CD2-CG1 4.45Å; L99-Q118 HydrophobicContact CB-CB 4.27Å; L99-Q118 HydrophobicContact CD2-CB 4.17Å; L99-M119 HydrophobicContact CD2-CG 3.56Å; L99-M119 HydrophobicContact CD2-SD 4.22Å
100	K	95.5	Very high	93.1	Very high	158 Å²	158	56.2 Å²	56.2	69%	0.687	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-111.5	127.2	174.3	-66.9	-173.4	179.3	-177.7	0	111	K104	K100-K104 WeakPolarHBondContact O-CE 3.38Å; K100-K104 PolarHBondContact O-NZ 2.95Å
101	G	94.3	Very high	93.3	Very high	6 Å²	6	58.3 Å²	58.3	6%	0.062	31%	0.313	C	S	.	.			trans	86.2	135.9	179.8	0	0	0	0	0	112.7	G91 G93 W95 K104	G91-G101 WeakPolarHBondContact O-CA 3.49Å; G93-G101 WeakPolarHBondContact O-CA 3.3Å; G93-G101 PolarHBondContact O-N 2.69Å; W95-G101 PolarHBondContact NE1-O 3.41Å; G101-K104 WeakPolarHBondContact O-CE 3.33Å
102	G	94	Very high	93.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-96.1	5	178.7	0	0	0	0	0	114.7	A83 R90 M119	A83-G102 WeakPolarHBondContact CB-O 3.32Å; A83-G102 PolarHBondContact N-O 3.18Å; R90-G102 WeakPolarHBondContact O-CA 3.23Å; R90-G102 PolarHBondContact O-N 3.38Å; G102-M119 WeakPolarHBondContact O-CE 3.38Å
103	V	94.5	Very high	93.9	Very high	59 Å²	59	48.4 Å²	48.4	36%	0.358	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.7	174.2	176.9	0	0	0	0	107.4	V80 L81 K82	V80-V103 HydrophobicContact CG1-CG1 3.66Å; L81-V103 CarbonylContact O-C 3.54Å; L81-V103 WeakPolarHBondContact O-CA 3.3Å; K82-V103 HydrophobicContact CB-CG2 4.41Å; K82-V103 HydrophobicContact CG-CG1 4.18Å; K82-V103 HydrophobicContact CG-CG2 4.3Å
104	K	94.8	Very high	94	Very high	59 Å²	59	52.6 Å²	52.6	26%	0.257	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.7	-169.8	-69.5	-65.3	-175.8	175.2	0	111.4	V80 L81 K100 G101 V115	V80-K104 CarbonylContact C-O 3.48Å; V80-K104 VanDerWaalsContact CA-O 3.28Å; V80-K104 WeakPolarHBondContact CA-O 3.36Å; L81-K104 PolarHBondContact N-O 2.93Å; L81-K104 PolarHBondContact O-N 2.8Å; K100-K104 WeakPolarHBondContact O-CE 3.38Å; K100-K104 PolarHBondContact O-NZ 2.95Å; G101-K104 WeakPolarHBondContact O-CE 3.33Å; K104-V115 HydrophobicContact CB-CG1 3.81Å; K104-V115 HydrophobicContact CG-CG1 3.82Å
105	I	93.9	Very high	94.1	Very high	66 Å²	66	49.9 Å²	49.9	34%	0.338	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.2	168.6	-51.7	177.4	0	0	0	107	D78 I79 V80 Y107	D78-I105 HydrophobicContact CB-CG2 4.35Å; I79-I105 WeakPolarHBondContact O-CA 3.25Å; V80-I105 HydrophobicContact CG2-CG1 4.16Å; I105-Y107 HydrophobicContact CG2-CE1 4.22Å; I105-Y107 HydrophobicContact CG2-CE2 4.25Å
106	V	93.1	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.5	179.9	-62.1	0	0	0	0	109.7	I79 L81 E111 A112 V115	I79-V106 HydrophobicContact CB-CG2 3.91Å; I79-V106 HydrophobicContact CG2-CG2 4.25Å; I79-V106 PolarHBondContact N-O 2.85Å; I79-V106 VanDerWaalsContact N-O 3.16Å; I79-V106 WeakPolarHBondContact O-CG2 3.4Å; I79-V106 PolarHBondContact O-N 3.17Å; L81-V106 HydrophobicContact CD1-CG1 4.14Å; L81-V106 HydrophobicContact CD1-CG2 4.29Å; L81-V106 HydrophobicContact CG-CG1 4.49Å; L81-V106 HydrophobicContact CG-CG2 4.13Å; V106-E111 HydrophobicContact CB-CB 4.48Å; V106-E111 HydrophobicContact CB-CG 4.17Å; V106-E111 HydrophobicContact CG1-CG 4.03Å; V106-A112 HydrophobicContact CB-CB 4.27Å; V106-A112 HydrophobicContact CG2-CB 3.74Å; V106-V115 HydrophobicContact CG1-CB 4.23Å; V106-V115 HydrophobicContact CG1-CG1 4.47Å; V106-V115 HydrophobicContact CG1-CG2 3.97Å
107	Y	89.1	Confident	94.1	Very high	125 Å²	125	48.5 Å²	48.5	49%	0.49	26%	0.261	S	S	.	.			trans	-112.6	-12.6	-170.5	-59.9	-82.9	0	0	0	113.4	D78 I105 E111 R144	D78-Y107 HydrophobicContact CB-CD1 4.36Å; D78-Y107 HydrophobicContact CB-CE1 4.49Å; D78-Y107 WeakPolarHBondContact OD1-CD1 3.38Å; D78-Y107 VanDerWaalsContact OD2-CE1 3.27Å; D78-Y107 WeakPolarHBondContact OD2-CE1 3.31Å; I105-Y107 HydrophobicContact CG2-CE1 4.22Å; I105-Y107 HydrophobicContact CG2-CE2 4.25Å; Y107-E111 PolarHBondContact N-OE2 3.31Å; Y107-R144 VanDerWaalsContact CE1-NH1 3.34Å; Y107-R144 PolarHBondContact OH-NH1 2.99Å; Y107-R144 VanDerWaalsContact OH-NH1 3.16Å
108	S	88.9	Confident	94.1	Very high	33 Å²	33	49 Å²	49	23%	0.231	26%	0.259	C	S	.	.	S	Bend	trans	-140.1	161	177.1	78.6	0	0	0	0	111.7	E110 E111 A112	S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact O-N 3.29Å; S108-E111 PolarHBondContact O-N 3.22Å; S108-E111 WeakPolarHBondContact OG-CB 3.45Å; S108-E111 PolarHBondContact OG-N 3.31Å; S108-E111 VanDerWaalsContact OG-N 3.14Å; S108-A112 WeakPolarHBondContact O-CB 3.3Å; S108-A112 PolarHBondContact O-N 3.16Å
109	M	90.7	Very high	94.3	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.059	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-36	176.7	-173.4	-178.5	-62.2	0	0	111.7	R53 C56 K57 I61 P63 A112 V113	R53-M109 HydrophobicContact CB-SD 4.18Å; R53-M109 HydrophobicContact CG-CG 4.03Å; R53-M109 HydrophobicContact CG-SD 3.87Å; C56-M109 HydrophobicContact CB-CB 4.33Å; C56-M109 HydrophobicContact CB-CE 3.99Å; C56-M109 HydrophobicContact CB-CG 4.06Å; K57-M109 HydrophobicContact CD-CE 4.39Å; K57-M109 HydrophobicContact CG-CE 3.53Å; I61-M109 HydrophobicContact CG2-CB 4.33Å; I61-M109 VanDerWaalsContact O-CE 3.25Å; I61-M109 WeakPolarHBondContact O-CE 3.47Å; P63-M109 HydrophobicContact CG-CE 3.88Å; P63-M109 HydrophobicContact CG-SD 3.94Å; M109-A112 PolarHBondContact O-N 3.28Å; M109-V113 WeakPolarHBondContact O-CB 3.35Å; M109-V113 VanDerWaalsContact O-CG2 3.3Å; M109-V113 WeakPolarHBondContact O-CG2 3.5Å; M109-V113 PolarHBondContact O-N 3.44Å
110	E	91.2	Very high	94.3	Very high	134 Å²	134	46.6 Å²	46.6	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-67.1	-43.4	178.1	-62.3	-169.9	171.9	0	0	111.4	S108 V113 N114	S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact O-N 3.29Å; E110-V113 PolarHBondContact O-N 3.37Å; E110-N114 WeakPolarHBondContact O-CB 3.32Å; E110-N114 PolarHBondContact O-N 3.16Å
111	E	93.1	Very high	94.3	Very high	69 Å²	69	41.5 Å²	41.5	32%	0.322	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-45.5	174.2	-173	-176.8	-167.8	0	0	111	V106 Y107 S108 V113 N114 V115	V106-E111 HydrophobicContact CB-CB 4.48Å; V106-E111 HydrophobicContact CB-CG 4.17Å; V106-E111 HydrophobicContact CG1-CG 4.03Å; Y107-E111 PolarHBondContact N-OE2 3.31Å; S108-E111 PolarHBondContact O-N 3.22Å; S108-E111 WeakPolarHBondContact OG-CB 3.45Å; S108-E111 PolarHBondContact OG-N 3.31Å; S108-E111 VanDerWaalsContact OG-N 3.14Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.18Å; E111-N114 PolarHBondContact O-N 2.9Å; E111-V115 HydrophobicContact CG-CG2 4.33Å; E111-V115 WeakPolarHBondContact O-CB 3.45Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 3.32Å
112	A	94.2	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-44.4	177.7	0	0	0	0	0	112.1	V52 C56 L81 V106 S108 M109 A116	V52-A112 HydrophobicContact CG1-CB 4.05Å; C56-A112 WeakPolarHBondContact SG-CB 3.34Å; L81-A112 HydrophobicContact CD1-CB 4.29Å; L81-A112 WeakPolarHBondContact CD1-O 3.45Å; V106-A112 HydrophobicContact CB-CB 4.27Å; V106-A112 HydrophobicContact CG2-CB 3.74Å; S108-A112 WeakPolarHBondContact O-CB 3.3Å; S108-A112 PolarHBondContact O-N 3.16Å; M109-A112 PolarHBondContact O-N 3.28Å; A112-A116 WeakPolarHBondContact O-CB 3.35Å; A112-A116 PolarHBondContact O-N 2.92Å
113	V	94.8	Very high	94.5	Very high	25 Å²	25	48.8 Å²	48.8	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-47	176.4	162	0	0	0	0	111.4	V49 R53 M109 E110 E111 A116 S117	V49-V113 HydrophobicContact CG1-CB 4.09Å; V49-V113 HydrophobicContact CG1-CG1 3.5Å; V49-V113 HydrophobicContact CG1-CG2 3.83Å; R53-V113 HydrophobicContact CG-CG2 3.55Å; M109-V113 WeakPolarHBondContact O-CB 3.35Å; M109-V113 VanDerWaalsContact O-CG2 3.3Å; M109-V113 WeakPolarHBondContact O-CG2 3.5Å; M109-V113 PolarHBondContact O-N 3.44Å; E110-V113 PolarHBondContact O-N 3.37Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.18Å; V113-A116 PolarHBondContact O-N 3.38Å; V113-S117 PolarHBondContact O-N 2.98Å; V113-S117 PolarHBondContact O-OG 3.49Å
114	N	95.8	Very high	94.6	Very high	89 Å²	89	46 Å²	46	48%	0.476	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-41.8	-179.6	-179.9	39.2	0	0	0	112.5	E110 E111 S117 Q118	E110-N114 WeakPolarHBondContact O-CB 3.32Å; E110-N114 PolarHBondContact O-N 3.16Å; E111-N114 PolarHBondContact O-N 2.9Å; N114-S117 PolarHBondContact O-OG 3.44Å; N114-Q118 PolarHBondContact O-N 3.49Å; N114-Q118 PolarHBondContact O-NE2 3.43Å; N114-Q118 VanDerWaalsContact O-NE2 3.09Å; N114-Q118 PolarHBondContact OD1-NE2 2.9Å
115	V	96.7	Very high	94.7	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-45.7	174.7	169.8	0	0	0	0	110	L81 L99 K104 V106 E111 S117 Q118 M119	L81-V115 HydrophobicContact CD1-CB 4.12Å; L81-V115 HydrophobicContact CD1-CG1 3.88Å; L99-V115 HydrophobicContact CD2-CG1 4.45Å; K104-V115 HydrophobicContact CB-CG1 3.81Å; K104-V115 HydrophobicContact CG-CG1 3.82Å; V106-V115 HydrophobicContact CG1-CB 4.23Å; V106-V115 HydrophobicContact CG1-CG1 4.47Å; V106-V115 HydrophobicContact CG1-CG2 3.97Å; E111-V115 HydrophobicContact CG-CG2 4.33Å; E111-V115 WeakPolarHBondContact O-CB 3.45Å; E111-V115 WeakPolarHBondContact O-CG2 3.4Å; E111-V115 PolarHBondContact O-N 3.32Å; V115-S117 PolarHBondContact O-N 3.49Å; V115-Q118 PolarHBondContact O-N 3.2Å; V115-Q118 VanDerWaalsContact O-N 3.15Å; V115-M119 HydrophobicContact CG1-SD 3.63Å; V115-M119 WeakPolarHBondContact O-CG 3.39Å; V115-M119 PolarHBondContact O-N 3.16Å
116	A	97.3	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-39.7	179.4	0	0	0	0	0	113	V52 L81 A112 V113 Q118 M119 L120 L139	V52-A116 HydrophobicContact CB-CB 4.26Å; V52-A116 HydrophobicContact CG1-CB 4.1Å; V52-A116 HydrophobicContact CG2-CB 3.78Å; L81-A116 HydrophobicContact CD1-CB 4.42Å; A112-A116 WeakPolarHBondContact O-CB 3.35Å; A112-A116 PolarHBondContact O-N 2.92Å; V113-A116 PolarHBondContact O-N 3.38Å; A116-Q118 PolarHBondContact O-N 3.47Å; A116-M119 PolarHBondContact O-N 2.9Å; A116-M119 VanDerWaalsContact O-N 3.09Å; A116-L120 HydrophobicContact CB-CD1 4.33Å; A116-L120 WeakPolarHBondContact O-CB 3.42Å; A116-L120 PolarHBondContact O-N 3.45Å; A116-L139 HydrophobicContact CB-CD1 3.63Å
117	S	96.9	Very high	94.3	Very high	54 Å²	54	50.2 Å²	50.2	38%	0.378	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-23.8	177.1	55.8	0	0	0	0	113.7	V113 N114 V115 H122	V113-S117 PolarHBondContact O-N 2.98Å; V113-S117 PolarHBondContact O-OG 3.49Å; N114-S117 PolarHBondContact O-OG 3.44Å; V115-S117 PolarHBondContact O-N 3.49Å; S117-H122 PolarHBondContact O-CD2 2.98Å
118	Q	97	Very high	94.1	Very high	51 Å²	51	49 Å²	49	24%	0.238	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.8	175	-71.5	173	71.8	0	0	113.1	S97 L99 N114 V115 A116 H122	S97-Q118 WeakPolarHBondContact CB-O 3.41Å; S97-Q118 PolarHBondContact OG-O 2.87Å; L99-Q118 HydrophobicContact CB-CB 4.27Å; L99-Q118 HydrophobicContact CD2-CB 4.17Å; N114-Q118 PolarHBondContact O-N 3.49Å; N114-Q118 PolarHBondContact O-NE2 3.43Å; N114-Q118 VanDerWaalsContact O-NE2 3.09Å; N114-Q118 PolarHBondContact OD1-NE2 2.9Å; V115-Q118 PolarHBondContact O-N 3.2Å; V115-Q118 VanDerWaalsContact O-N 3.15Å; A116-Q118 PolarHBondContact O-N 3.47Å; Q118-H122 PolarHBondContact O-CD2 3.32Å
119	M	97.6	Very high	93.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-44	-179.1	-63	172.2	77.4	0	0	112.4	A83 W95 L99 G102 V115 A116 G121 H122 L139	A83-M119 HydrophobicContact CB-CE 3.74Å; W95-M119 HydrophobicContact CD2-CG 4.41Å; W95-M119 HydrophobicContact CE3-CB 4.48Å; W95-M119 HydrophobicContact CH2-CB 3.63Å; W95-M119 HydrophobicContact CH2-CE 4.01Å; W95-M119 HydrophobicContact CH2-CG 3.92Å; W95-M119 HydrophobicContact CZ2-CB 3.89Å; W95-M119 HydrophobicContact CZ2-CE 3.45Å; W95-M119 VanDerWaalsContact CZ2-CE 3.45Å; W95-M119 HydrophobicContact CZ2-CG 3.61Å; W95-M119 HydrophobicContact CZ2-SD 4.34Å; W95-M119 HydrophobicContact CZ3-CB 3.96Å; W95-M119 HydrophobicContact CZ3-CG 4.44Å; W95-M119 WeakPolarHBondContact CZ3-O 3.37Å; L99-M119 HydrophobicContact CD2-CG 3.56Å; L99-M119 HydrophobicContact CD2-SD 4.22Å; G102-M119 WeakPolarHBondContact O-CE 3.38Å; V115-M119 HydrophobicContact CG1-SD 3.63Å; V115-M119 WeakPolarHBondContact O-CG 3.39Å; V115-M119 PolarHBondContact O-N 3.16Å; A116-M119 PolarHBondContact O-N 2.9Å; A116-M119 VanDerWaalsContact O-N 3.09Å; M119-G121 PolarHBondContact O-N 3.02Å; M119-H122 PolarHBondContact O-N 2.97Å; M119-L139 HydrophobicContact CB-CD1 4.31Å; M119-L139 HydrophobicContact CB-CD2 3.87Å; M119-L139 HydrophobicContact CE-CD2 3.49Å; M119-L139 VanDerWaalsContact CE-CD2 3.49Å; M119-L139 HydrophobicContact SD-CD1 4.34Å; M119-L139 HydrophobicContact SD-CD2 3.95Å
120	L	97.2	Very high	93.5	Very high	26 Å²	26	49.8 Å²	49.8	14%	0.136	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	127.8	-178.3	-72.1	168.8	0	0	0	110.8	V49 A116 H122 C136 L139	V49-L120 HydrophobicContact CG2-CD1 4.49Å; A116-L120 HydrophobicContact CB-CD1 4.33Å; A116-L120 WeakPolarHBondContact O-CB 3.42Å; A116-L120 PolarHBondContact O-N 3.45Å; L120-H122 PolarHBondContact O-CD2 3.14Å; L120-H122 PolarHBondContact O-N 3.25Å; L120-C136 CarbonylContact C-O 3.58Å; L120-C136 WeakPolarHBondContact CA-O 3.49Å; L120-L139 HydrophobicContact CD1-CD1 4.18Å; L120-L139 HydrophobicContact CD2-CD1 4.32Å; L120-L139 HydrophobicContact CD2-CG 3.86Å; L120-L139 HydrophobicContact CG-CD1 3.89Å; L120-L139 HydrophobicContact CG-CG 3.98Å
121	G	95.7	Very high	93.2	Very high	50 Å²	50	51.1 Å²	51.1	52%	0.515	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	1	-177.1	0	0	0	0	0	114.3	M119 L135 C136	M119-G121 PolarHBondContact O-N 3.02Å; G121-L135 WeakPolarHBondContact O-CD1 3.31Å; G121-C136 PolarHBondContact N-O 3.01Å
122	H	96.7	Very high	92.8	Very high	59 Å²	59	52.8 Å²	52.8	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	155.6	-179.5	-78.8	-75	0	0	0	111.3	W95 D96 S117 Q118 M119 L120 C136	W95-H122 HydrophobicContact CE3-CB 3.86Å; W95-H122 HydrophobicContact CZ3-CB 4.26Å; D96-H122 WeakPolarHBondContact OD1-CA 3.27Å; D96-H122 WeakPolarHBondContact OD1-CB 3.42Å; D96-H122 IonicContact OD1-CE1 3.92Å; D96-H122 IonicContact OD1-CG 2.72Å; D96-H122 VanDerWaalsContact OD1-CG 3.28Å; D96-H122 IonicContact OD1-ND1 2.92Å; D96-H122 PolarHBondContact OD1-ND1 3.3Å; S117-H122 PolarHBondContact O-CD2 2.98Å; Q118-H122 PolarHBondContact O-CD2 3.32Å; M119-H122 PolarHBondContact O-N 2.97Å; L120-H122 PolarHBondContact O-CD2 3.14Å; L120-H122 PolarHBondContact O-N 3.25Å; H122-C136 PolarHBondContact O-N 3.37Å
123	R	96	Very high	92.6	Very high	101 Å²	101	53 Å²	53	38%	0.381	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.3	175.5	-68.9	179.7	173.4	-90.2	-8	111.2	W95 D96 Y125 T132 Q134 L135	W95-R123 CarbonylContact C-O 3.51Å; W95-R123 WeakPolarHBondContact CA-O 3.44Å; D96-R123 VanDerWaalsContact CG-N 3.27Å; D96-R123 PolarHBondContact N-O 2.93Å; D96-R123 PolarHBondContact OD1-N 3.48Å; D96-R123 WeakPolarHBondContact OD2-CB 3.35Å; D96-R123 PolarHBondContact OD2-N 3.31Å; R123-Y125 HydrophobicContact CB-CE2 4.22Å; R123-T132 PolarHBondContact NH1-O 3.48Å; R123-Q134 CarbonylContact C-O 3.6Å; R123-Q134 VanDerWaalsContact CA-O 3.27Å; R123-Q134 WeakPolarHBondContact CA-O 3.31Å; R123-L135 HydrophobicContact CG-CB 4.41Å; R123-L135 HydrophobicContact CG-CD1 4.37Å
124	I	96.5	Very high	92.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.4	168.9	-169.2	175.3	0	0	0	110.2	V85 R90 W95 T126 G133 Q134	V85-I124 HydrophobicContact CB-CG2 4.37Å; V85-I124 HydrophobicContact CG1-CG2 3.82Å; V85-I124 HydrophobicContact CG2-CG2 3.87Å; R90-I124 HydrophobicContact CB-CD1 4.5Å; W95-I124 HydrophobicContact CD2-CB 3.99Å; W95-I124 HydrophobicContact CD2-CG1 4.24Å; W95-I124 HydrophobicContact CE3-CB 3.9Å; W95-I124 HydrophobicContact CH2-CB 4.04Å; W95-I124 HydrophobicContact CH2-CD1 4.46Å; W95-I124 HydrophobicContact CH2-CG2 4.48Å; W95-I124 HydrophobicContact CZ2-CB 4.11Å; W95-I124 HydrophobicContact CZ2-CD1 3.81Å; W95-I124 HydrophobicContact CZ2-CG1 4.28Å; W95-I124 HydrophobicContact CZ3-CB 3.92Å; I124-T126 HydrophobicContact CD1-CG2 4.33Å; I124-T126 HydrophobicContact CG1-CG2 4.21Å; I124-G133 CarbonylContact O-C 3.56Å; I124-G133 VanDerWaalsContact O-CA 3.28Å; I124-G133 WeakPolarHBondContact O-CA 3.28Å; I124-Q134 PolarHBondContact N-O 3.13Å; I124-Q134 PolarHBondContact O-N 2.94Å
125	Y	95.5	Very high	92.3	Very high	84 Å²	84	51.4 Å²	51.4	33%	0.329	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.5	175.3	-56.1	-90.6	0	0	0	108.9	G93 T94 D96 R123 D131	G93-Y125 CarbonylContact C-O 3.55Å; G93-Y125 WeakPolarHBondContact CA-O 3.39Å; T94-Y125 PolarHBondContact N-O 2.95Å; T94-Y125 WeakPolarHBondContact O-CD2 3.45Å; T94-Y125 PolarHBondContact O-N 2.89Å; D96-Y125 HydrophobicContact CB-CE2 4Å; R123-Y125 HydrophobicContact CB-CE2 4.22Å; Y125-D131 WeakPolarHBondContact CE1-O 3.35Å
126	T	91.6	Very high	92.3	Very high	16 Å²	16	50.8 Å²	50.8	10%	0.098	30%	0.299	C	S	.	.			trans	-127.5	170.4	176.7	76.4	0	0	0	0	109.6	G88 I124 Q128 T129	G88-T126 PolarHBondContact O-OG1 2.92Å; I124-T126 HydrophobicContact CD1-CG2 4.33Å; I124-T126 HydrophobicContact CG1-CG2 4.21Å; T126-Q128 PolarHBondContact O-N 3.02Å; T126-Q128 PolarHBondContact OG1-N 3.13Å; T126-T129 PolarHBondContact N-OG1 2.91Å; T126-T129 PolarHBondContact O-N 3.33Å; T126-T129 PolarHBondContact O-OG1 2.96Å; T126-T129 PolarHBondContact OG1-N 2.77Å
127	A	87.5	Confident	92.2	Very high	114 Å²	114	54 Å²	54	94%	0.942	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.3	171.2	0	0	0	0	0	113.5
128	Q	85.5	Confident	92.2	Very high	99 Å²	99	52.3 Å²	52.3	46%	0.463	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-9.9	-178.8	-63.4	-171.8	5.7	0	0	114.3	A87 T126	A87-Q128 HydrophobicContact CB-CB 4.14Å; T126-Q128 PolarHBondContact O-N 3.02Å; T126-Q128 PolarHBondContact OG1-N 3.13Å
129	T	85.1	Confident	92.3	Very high	16 Å²	16	49.9 Å²	49.9	10%	0.098	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-13	-177.1	58.3	0	0	0	0	113.8	A87 T126 T132 Q134	A87-T129 HydrophobicContact CB-CG2 3.45Å; A87-T129 VanDerWaalsContact CB-CG2 3.45Å; T126-T129 PolarHBondContact N-OG1 2.91Å; T126-T129 PolarHBondContact O-N 3.33Å; T126-T129 PolarHBondContact O-OG1 2.96Å; T126-T129 PolarHBondContact OG1-N 2.77Å; T129-T132 PolarHBondContact O-OG1 2.93Å; T129-Q134 HydrophobicContact CG2-CB 4.14Å; T129-Q134 HydrophobicContact CG2-CG 3.73Å
130	G	81.9	Confident	92.2	Very high	45 Å²	45	49.9 Å²	49.9	46%	0.464	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	58.2	-155.9	-170.5	0	0	0	0	0	112.8	T132	G130-T132 VanDerWaalsContact C-N 3.27Å; G130-T132 PolarHBondContact O-N 2.84Å
131	D	84	Confident	92.2	Very high	163 Å²	163	48.7 Å²	48.7	87%	0.872	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-74.5	-12.7	-173	-63.4	-18.9	0	0	0	114	Y125	Y125-D131 WeakPolarHBondContact CE1-O 3.35Å
132	T	84.5	Confident	92.1	Very high	104 Å²	104	46.5 Å²	46.5	64%	0.638	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-83.1	-21.8	-179.4	55.4	0	0	0	0	113.1	R123 T129 G130	R123-T132 PolarHBondContact NH1-O 3.48Å; T129-T132 PolarHBondContact O-OG1 2.93Å; G130-T132 VanDerWaalsContact C-N 3.27Å; G130-T132 PolarHBondContact O-N 2.84Å
133	G	90.2	Very high	91.8	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	25%	0.254	C	S	.	.			trans	58.5	-176	-171.2	0	0	0	0	0	112.9	I124	I124-G133 CarbonylContact O-C 3.56Å; I124-G133 VanDerWaalsContact O-CA 3.28Å; I124-G133 WeakPolarHBondContact O-CA 3.28Å
134	Q	91.6	Very high	91.6	Very high	31 Å²	31	42.5 Å²	42.5	15%	0.145	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.2	170.4	-80.6	-175.2	-32.2	0	0	110.5	V85 R123 I124 T129 Q278	V85-Q134 HydrophobicContact CB-CB 4.22Å; V85-Q134 HydrophobicContact CG1-CB 4.09Å; R123-Q134 CarbonylContact C-O 3.6Å; R123-Q134 VanDerWaalsContact CA-O 3.27Å; R123-Q134 WeakPolarHBondContact CA-O 3.31Å; I124-Q134 PolarHBondContact N-O 3.13Å; I124-Q134 PolarHBondContact O-N 2.94Å; T129-Q134 HydrophobicContact CG2-CB 4.14Å; T129-Q134 HydrophobicContact CG2-CG 3.73Å; Q134-Q278 PolarHBondContact NE2-O 3.33Å
135	L	93.9	Very high	91.1	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.6	177.7	-179.2	66.5	0	0	0	109.8	G121 R123 N137 Q278	G121-L135 WeakPolarHBondContact O-CD1 3.31Å; R123-L135 HydrophobicContact CG-CB 4.41Å; R123-L135 HydrophobicContact CG-CD1 4.37Å; L135-N137 WeakPolarHBondContact CD2-ND2 3.24Å; L135-Q278 PolarHBondContact O-NE2 3Å
136	C	96.5	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.4	176.5	-176.4	0	0	0	0	110.3	V85 W95 L120 G121 H122 T138	V85-C136 HydrophobicContact CG1-CB 4.04Å; W95-C136 HydrophobicContact CH2-CB 3.54Å; W95-C136 HydrophobicContact CZ3-CB 3.49Å; W95-C136 VanDerWaalsContact CZ3-CB 3.49Å; L120-C136 CarbonylContact C-O 3.58Å; L120-C136 WeakPolarHBondContact CA-O 3.49Å; G121-C136 PolarHBondContact N-O 3.01Å; H122-C136 PolarHBondContact O-N 3.37Å; C136-T138 PolarHBondContact SG-O 2.94Å
137	N	95.3	Very high	90.2	Very high	69 Å²	69	48.3 Å²	48.3	37%	0.369	27%	0.274	S	S	.	.			trans	-101.6	1.4	176.2	-65.9	-40.7	0	0	0	112.8	L135	L135-N137 WeakPolarHBondContact CD2-ND2 3.24Å
138	T	97.1	Very high	90	Very high	18 Å²	18	51.3 Å²	51.3	11%	0.11	26%	0.261	C	S	.	.			trans	-148.8	137.9	-173.3	-60.4	0	0	0	0	110.2	Y27 V45 A46 R47 Q84 C136	Y27-T138 HydrophobicContact CE1-CG2 4.37Å; V45-T138 HydrophobicContact CG1-CG2 3.36Å; A46-T138 WeakPolarHBondContact O-CA 3.34Å; R47-T138 HydrophobicContact CG-CG2 4.36Å; Q84-T138 HydrophobicContact CB-CG2 4.19Å; Q84-T138 VanDerWaalsContact CB-O 3.27Å; Q84-T138 WeakPolarHBondContact CB-O 3.37Å; Q84-T138 HydrophobicContact CG-CG2 4.07Å; Q84-T138 PolarHBondContact N-O 3.36Å; C136-T138 PolarHBondContact SG-O 2.94Å
139	L	97.6	Very high	90.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.1	172.6	-62.7	-179.7	0	0	0	109.6	A46 V52 K82 A116 M119 L120	A46-L139 PolarHBondContact N-O 2.83Å; A46-L139 PolarHBondContact O-N 3.42Å; V52-L139 HydrophobicContact CG2-CD1 4.35Å; K82-L139 WeakPolarHBondContact O-CA 3.45Å; A116-L139 HydrophobicContact CB-CD1 3.63Å; M119-L139 HydrophobicContact CB-CD1 4.31Å; M119-L139 HydrophobicContact CB-CD2 3.87Å; M119-L139 HydrophobicContact CE-CD2 3.49Å; M119-L139 VanDerWaalsContact CE-CD2 3.49Å; M119-L139 HydrophobicContact SD-CD1 4.34Å; M119-L139 HydrophobicContact SD-CD2 3.95Å; L120-L139 HydrophobicContact CD1-CD1 4.18Å; L120-L139 HydrophobicContact CD2-CD1 4.32Å; L120-L139 HydrophobicContact CD2-CG 3.86Å; L120-L139 HydrophobicContact CG-CD1 3.89Å; L120-L139 HydrophobicContact CG-CG 3.98Å
140	L	97.2	Very high	90.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.3	166	-175.5	65.5	0	0	0	107.6	E26 M30 F43 V45 K82 Q84	E26-L140 HydrophobicContact CG-CD2 3.98Å; M30-L140 HydrophobicContact CE-CD2 4.33Å; M30-L140 HydrophobicContact SD-CD2 3.86Å; F43-L140 HydrophobicContact CB-CD1 3.61Å; F43-L140 HydrophobicContact CB-CG 4.15Å; F43-L140 HydrophobicContact CD2-CD1 3.37Å; F43-L140 HydrophobicContact CE2-CD1 4.22Å; F43-L140 HydrophobicContact CG-CD1 3.69Å; V45-L140 HydrophobicContact CG2-CD1 4.21Å; K82-L140 HydrophobicContact CB-CB 4.27Å; K82-L140 HydrophobicContact CD-CD2 4.5Å; K82-L140 PolarHBondContact N-O 3.37Å; K82-L140 PolarHBondContact O-N 3.44Å; Q84-L140 HydrophobicContact CG-CB 4.06Å
141	A	96.4	Very high	91.3	Very high	1 Å²	1	54 Å²	54	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.7	170.4	0	0	0	0	0	107.9	F43 I44 A55 F59 I79 L81	F43-A141 CarbonylContact C-O 3.6Å; F43-A141 VanDerWaalsContact CA-O 3.25Å; F43-A141 WeakPolarHBondContact CA-O 3.43Å; I44-A141 PolarHBondContact N-O 2.94Å; I44-A141 PolarHBondContact O-N 3.42Å; A55-A141 HydrophobicContact CB-CB 3.83Å; F59-A141 HydrophobicContact CE2-CB 4.39Å; F59-A141 WeakPolarHBondContact CE2-O 3.28Å; I79-A141 HydrophobicContact CG2-CB 4.08Å; L81-A141 HydrophobicContact CD2-CB 3.78Å
142	C	93.6	Very high	91.9	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.5	179.8	62.8	0	0	0	0	112.3	P41 K42 F43 I79 V80 K82 R144	P41-C142 HydrophobicContact CB-CB 4.41Å; K42-C142 CarbonylContact O-C 3.46Å; K42-C142 VanDerWaalsContact O-CA 3.27Å; K42-C142 WeakPolarHBondContact O-CA 3.42Å; K42-C142 WeakPolarHBondContact O-CB 3.32Å; F43-C142 HydrophobicContact CB-CB 3.9Å; I79-C142 WeakPolarHBondContact CA-O 3.31Å; V80-C142 PolarHBondContact N-O 3.31Å; V80-C142 PolarHBondContact O-N 2.94Å; V80-C142 PolarHBondContact O-SG 3.02Å; V80-C142 VanDerWaalsContact O-SG 3.41Å; K82-C142 VanDerWaalsContact CE-SG 3.58Å; C142-R144 PolarHBondContact O-N 3.04Å
143	E	91.2	Very high	92.6	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.5	171.5	71.4	-179.2	158	0	0	109.8	P41 K42 F59 T77 K145	P41-E143 HydrophobicContact CB-CG 3.84Å; K42-E143 HydrophobicContact CB-CB 4.44Å; K42-E143 HydrophobicContact CB-CG 4.06Å; K42-E143 WeakPolarHBondContact CG-OE1 3.27Å; K42-E143 PolarHBondContact N-OE1 3.04Å; K42-E143 PolarHBondContact O-N 3.19Å; F59-E143 HydrophobicContact CD1-CB 4.08Å; F59-E143 HydrophobicContact CE1-CB 3.98Å; T77-E143 HydrophobicContact CG2-CB 4.34Å; E143-K145 HydrophobicContact CG-CD 4.48Å; E143-K145 PolarHBondContact O-N 3.3Å; E143-K145 WeakPolarHBondContact OE1-CE 3.27Å; E143-K145 IonicContact OE1-NZ 3.58Å; E143-K145 PolarHBondContact OE1-NZ 3.03Å; E143-K145 IonicContact OE2-NZ 3.52Å; E143-K145 PolarHBondContact OE2-NZ 3.46Å
144	R	90	Very high	93	Very high	55 Å²	55	41.7 Å²	41.7	21%	0.208	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-72.4	119	171.2	-175.6	-176.7	-177.1	172	4	109.3	D78 V80 Y107 C142	D78-R144 HydrophobicContact CB-CB 3.87Å; D78-R144 HydrophobicContact CB-CG 4.39Å; D78-R144 WeakPolarHBondContact O-CB 3.43Å; D78-R144 PolarHBondContact O-N 3.36Å; D78-R144 WeakPolarHBondContact OD2-CD 3.39Å; D78-R144 IonicContact OD2-CZ 3.31Å; D78-R144 IonicContact OD2-NE 3.09Å; D78-R144 IonicContact OD2-NH1 4Å; D78-R144 PolarHBondContact OD2-NH1 2.94Å; V80-R144 HydrophobicContact CG2-CB 4.02Å; V80-R144 HydrophobicContact CG2-CG 4.25Å; Y107-R144 VanDerWaalsContact CE1-NH1 3.34Å; Y107-R144 PolarHBondContact OH-NH1 2.99Å; Y107-R144 VanDerWaalsContact OH-NH1 3.16Å; C142-R144 PolarHBondContact O-N 3.04Å
145	K	87.8	Confident	93.3	Very high	66 Å²	66	40.2 Å²	40.2	29%	0.287	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-95.1	140.5	163.9	-63.3	-66.8	-172.6	-157.3	0	110.2	P41 E143 M253	P41-K145 HydrophobicContact CB-CG 4.37Å; P41-K145 HydrophobicContact CG-CG 4.23Å; E143-K145 HydrophobicContact CG-CD 4.48Å; E143-K145 PolarHBondContact O-N 3.3Å; E143-K145 WeakPolarHBondContact OE1-CE 3.27Å; E143-K145 IonicContact OE1-NZ 3.58Å; E143-K145 PolarHBondContact OE1-NZ 3.03Å; E143-K145 IonicContact OE2-NZ 3.52Å; E143-K145 PolarHBondContact OE2-NZ 3.46Å; K145-M253 HydrophobicContact CB-CE 3.77Å; K145-M253 HydrophobicContact CB-SD 3.85Å; K145-M253 HydrophobicContact CG-CE 4.38Å; K145-M253 HydrophobicContact CG-SD 4.15Å
146	Y	84.9	Confident	93.4	Very high	118 Å²	118	39.5 Å²	39.5	46%	0.463	17%	0.174	S	C	.	.			trans	-92.2	100.2	172.6	-65.9	-87.1	0	0	0	109	D78 I246	D78-Y146 PolarHBondContact OD2-OH 3.41Å; Y146-I246 PolarHBondContact O-N 3.04Å
147	S	82.3	Confident	93.3	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.9	177.7	-54.5	0	0	0	0	110.3	S243 Q244	S147-S243 WeakPolarHBondContact OG-CB 3.21Å; S147-S243 PolarHBondContact OG-OG 2.84Å; S147-Q244 CarbonylContact C-O 3.56Å
148	R	83.6	Confident	93.3	Very high	176 Å²	176	42.7 Å²	42.7	66%	0.664	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	-35	168.2	-76.5	-176.8	169.9	175.1	3.3	112	Q244 I246	R148-Q244 PolarHBondContact N-O 3.47Å; R148-I246 HydrophobicContact CG-CG2 4.16Å; R148-I246 PolarHBondContact NE-O 3.17Å; R148-I246 PolarHBondContact NH1-O 3.49Å; R148-I246 PolarHBondContact NH2-O 2.98Å; R148-I246 VanDerWaalsContact NH2-O 3.08Å
149	R	88.7	Confident	93	Very high	122 Å²	122	49 Å²	49	46%	0.46	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.9	-178.3	-63.3	-178	178.2	-177	-2.1	108.9	G211 S243 Q244	R149-G211 PolarHBondContact NH1-O 3.23Å; R149-S243 VanDerWaalsContact O-CA 3.3Å; R149-S243 WeakPolarHBondContact O-CA 3.22Å; R149-S243 WeakPolarHBondContact O-CB 3.48Å; R149-Q244 PolarHBondContact O-N 3.42Å
150	E	94.1	Very high	92.7	Very high	86 Å²	86	54.3 Å²	54.3	40%	0.402	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.1	178.3	-63.7	-165.1	147.9	0	0	107.9	G172 P241	E150-G172 WeakPolarHBondContact O-CA 3.49Å; E150-G172 PolarHBondContact O-N 2.74Å; E150-P241 HydrophobicContact CB-CB 3.66Å; E150-P241 HydrophobicContact CB-CG 4.23Å; E150-P241 HydrophobicContact CG-CB 4.07Å; E150-P241 HydrophobicContact CG-CG 4.12Å
151	H	96.5	Very high	92.4	Very high	9 Å²	9	57.8 Å²	57.8	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	162.8	-178.9	-54.5	-50.4	0	0	0	109.8	Q170 L210 F212 P241 I242	H151-Q170 PolarHBondContact ND1-O 3.24Å; H151-L210 HydrophobicContact CB-CB 4.39Å; H151-L210 HydrophobicContact CB-CD1 4.48Å; H151-L210 HydrophobicContact CB-CD2 4.28Å; H151-L210 PolarHBondContact CE1-O 3.31Å; H151-L210 PolarHBondContact ND1-O 3.22Å; H151-L210 PolarHBondContact NE2-O 3.13Å; H151-L210 VanDerWaalsContact NE2-O 3.16Å; H151-F212 AromaticContact CD2-CE1 3.86Å; H151-F212 AromaticContact CD2-CE2 3.95Å; H151-F212 AromaticContact CD2-CZ 3.67Å; H151-P241 CarbonylContact O-C 3.6Å; H151-P241 VanDerWaalsContact O-CA 3.27Å; H151-P241 WeakPolarHBondContact O-CA 3.48Å; H151-I242 WeakPolarHBondContact CA-O 3.48Å; H151-I242 HydrophobicContact CB-CG2 3.86Å; H151-I242 WeakPolarHBondContact CB-O 3.44Å; H151-I242 PolarHBondContact N-O 2.91Å; H151-I242 PolarHBondContact O-N 3.23Å
152	Y	97.4	Very high	92.2	Very high	12 Å²	12	61 Å²	61	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.5	173	179.5	-91.8	0	0	0	109.5	A154 I167 G168 C169 I176 E238 N240	Y152-A154 HydrophobicContact CE1-CB 3.66Å; Y152-A154 WeakPolarHBondContact OH-CB 3.34Å; Y152-I167 HydrophobicContact CE1-CG2 4.32Å; Y152-G168 VanDerWaalsContact O-CA 3.29Å; Y152-G168 WeakPolarHBondContact O-CA 3.48Å; Y152-C169 PolarHBondContact N-O 3.16Å; Y152-C169 PolarHBondContact O-N 2.93Å; Y152-I176 HydrophobicContact CD1-CD1 3.64Å; Y152-I176 HydrophobicContact CD1-CG1 3.92Å; Y152-I176 HydrophobicContact CD2-CB 4.1Å; Y152-I176 HydrophobicContact CD2-CD1 3.99Å; Y152-I176 HydrophobicContact CD2-CG1 4.12Å; Y152-I176 HydrophobicContact CE1-CB 4.41Å; Y152-I176 HydrophobicContact CE1-CD1 3.97Å; Y152-I176 HydrophobicContact CE1-CG1 3.69Å; Y152-I176 HydrophobicContact CE2-CB 3.72Å; Y152-I176 HydrophobicContact CE2-CD1 4.29Å; Y152-I176 HydrophobicContact CE2-CG1 3.9Å; Y152-I176 HydrophobicContact CE2-CG2 3.93Å; Y152-I176 HydrophobicContact CG-CD1 3.65Å; Y152-I176 HydrophobicContact CG-CG1 4.13Å; Y152-E238 HydrophobicContact CE2-CG 3.85Å; Y152-E238 WeakPolarHBondContact CE2-OE1 3.49Å; Y152-E238 PolarHBondContact OH-OE1 2.9Å; Y152-N240 HydrophobicContact CD2-CB 3.82Å; Y152-N240 HydrophobicContact CE2-CB 4.04Å
153	L	98.2	Very high	92.3	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	129.9	170.7	-178.2	73.7	0	0	0	110	M166 I167 M206 L210 I222 L225 I239 I242	L153-M166 HydrophobicContact CD1-CG 3.86Å; L153-M166 HydrophobicContact CD1-SD 4.09Å; L153-I167 CarbonylContact C-O 3.6Å; L153-I167 WeakPolarHBondContact CA-O 3.34Å; L153-M206 HydrophobicContact CD1-CG 3.92Å; L153-M206 HydrophobicContact CD1-SD 4.48Å; L153-L210 HydrophobicContact CD1-CD1 4.28Å; L153-I222 HydrophobicContact CD2-CG1 3.82Å; L153-L225 HydrophobicContact CD2-CD1 3.55Å; L153-I239 PolarHBondContact N-O 3.48Å; L153-I239 VanDerWaalsContact N-O 3.16Å; L153-I239 PolarHBondContact O-N 3.03Å; L153-I242 HydrophobicContact CB-CG2 3.79Å; L153-I242 HydrophobicContact CD2-CD1 4.02Å
154	A	98.2	Very high	92.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.3	173.2	0	0	0	0	0	112.1	Y152 M166 I167 L237 E238	Y152-A154 HydrophobicContact CE1-CB 3.66Å; Y152-A154 WeakPolarHBondContact OH-CB 3.34Å; A154-M166 CarbonylContact O-C 3.59Å; A154-M166 WeakPolarHBondContact O-CA 3.34Å; A154-I167 PolarHBondContact N-O 3.17Å; A154-I167 PolarHBondContact O-N 3Å; A154-L237 CarbonylContact C-O 3.48Å; A154-L237 WeakPolarHBondContact CA-O 3.49Å; A154-L237 WeakPolarHBondContact CB-O 3.4Å; A154-E238 HydrophobicContact CB-CB 4.26Å
155	I	98.2	Very high	93	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.6	170	-53	174.6	0	0	0	106.6	P164 V165 M166 L225 Y226 F229 L237	I155-P164 HydrophobicContact CG2-CB 4.46Å; I155-V165 WeakPolarHBondContact CA-O 3.42Å; I155-M166 HydrophobicContact CG1-CG 4.37Å; I155-L225 HydrophobicContact CD1-CB 4.33Å; I155-Y226 HydrophobicContact CD1-CD2 4.3Å; I155-Y226 HydrophobicContact CG2-CD2 4.41Å; I155-F229 HydrophobicContact CB-CD2 3.84Å; I155-F229 HydrophobicContact CB-CE2 4.16Å; I155-F229 HydrophobicContact CB-CG 4.15Å; I155-F229 HydrophobicContact CD1-CB 4.4Å; I155-F229 HydrophobicContact CG2-CB 4.37Å; I155-F229 HydrophobicContact CG2-CD1 3.8Å; I155-F229 HydrophobicContact CG2-CD2 3.7Å; I155-F229 HydrophobicContact CG2-CE1 3.92Å; I155-F229 HydrophobicContact CG2-CE2 3.82Å; I155-F229 HydrophobicContact CG2-CG 3.68Å; I155-F229 HydrophobicContact CG2-CZ 3.91Å; I155-F229 WeakPolarHBondContact O-CE2 3.28Å; I155-L237 HydrophobicContact CB-CB 4.47Å; I155-L237 HydrophobicContact CG1-CD2 4.46Å; I155-L237 PolarHBondContact N-O 3.39Å; I155-L237 PolarHBondContact O-N 3.14Å
156	V	96.9	Very high	93.4	Very high	33 Å²	33	55.2 Å²	55.2	20%	0.2	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.2	-176.8	-62.7	0	0	0	0	110.8	D158 P164 V165 I167 L236	V156-D158 PolarHBondContact O-N 3.5Å; V156-P164 CarbonylContact O-C 3.55Å; V156-P164 WeakPolarHBondContact O-CA 3.42Å; V156-V165 HydrophobicContact CG2-CB 4.47Å; V156-V165 PolarHBondContact N-O 3.29Å; V156-V165 PolarHBondContact O-N 3.4Å; V156-I167 HydrophobicContact CG2-CD1 3.79Å; V156-I167 HydrophobicContact CG2-CG1 4.48Å; V156-L236 HydrophobicContact CG1-CD1 3.44Å; V156-L236 VanDerWaalsContact CG1-CD1 3.44Å
157	L	95.1	Very high	94.1	Very high	89 Å²	89	51 Å²	51	47%	0.466	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	103.2	164.5	-64.1	-178.1	0	0	0	109.3	P164 F229 T235	L157-P164 HydrophobicContact CD2-CB 4.36Å; L157-F229 HydrophobicContact CD2-CE1 3.85Å; L157-F229 HydrophobicContact CD2-CZ 3.74Å; L157-F229 HydrophobicContact CG-CE1 4.43Å; L157-F229 HydrophobicContact CG-CZ 3.85Å; L157-T235 HydrophobicContact CD1-CG2 4.36Å; L157-T235 PolarHBondContact N-O 3.31Å
158	D	94	Very high	94.8	Very high	48 Å²	48	49.1 Å²	49.1	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124	176.1	179	32.4	0	0	0	110.8	V156 S160 C161 G162 G163 V165	V156-D158 PolarHBondContact O-N 3.5Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 2.92Å; D158-S160 PolarHBondContact OD1-N 3.49Å; D158-S160 VanDerWaalsContact OD1-N 3.08Å; D158-S160 PolarHBondContact OD1-OG 3.42Å; D158-S160 VanDerWaalsContact OD2-CB 3.32Å; D158-S160 WeakPolarHBondContact OD2-CB 3.35Å; D158-S160 PolarHBondContact OD2-N 3.25Å; D158-C161 HydrophobicContact CB-CB 4.35Å; D158-C161 PolarHBondContact OD2-N 3.3Å; D158-C161 PolarHBondContact OD2-SG 2.69Å; D158-C161 VanDerWaalsContact OD2-SG 3.34Å; D158-G162 PolarHBondContact O-N 3.37Å; D158-G163 PolarHBondContact N-O 2.84Å; D158-G163 PolarHBondContact O-N 2.64Å; D158-V165 HydrophobicContact CB-CB 4.16Å; D158-V165 HydrophobicContact CB-CG2 3.5Å
159	R	92.2	Very high	95.5	Very high	150 Å²	150	40.8 Å²	40.8	57%	0.566	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.1	178	-65.7	-177.6	-177.7	154.9	6.9	112.6	K17	K17-R159 VanDerWaalsContact CD-NH2 3.34Å
160	S	91.3	Very high	95.8	Very high	112 Å²	112	40.4 Å²	40.4	78%	0.783	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-42	-178.3	-39.2	0	0	0	0	110.8	D158	D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 2.92Å; D158-S160 PolarHBondContact OD1-N 3.49Å; D158-S160 VanDerWaalsContact OD1-N 3.08Å; D158-S160 PolarHBondContact OD1-OG 3.42Å; D158-S160 VanDerWaalsContact OD2-CB 3.32Å; D158-S160 WeakPolarHBondContact OD2-CB 3.35Å; D158-S160 PolarHBondContact OD2-N 3.25Å
161	C	90.4	Very high	95.7	Very high	72 Å²	72	41.6 Å²	41.6	49%	0.486	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.1	172.1	-67.7	0	0	0	0	113.9	D158 V165	D158-C161 HydrophobicContact CB-CB 4.35Å; D158-C161 PolarHBondContact OD2-N 3.3Å; D158-C161 PolarHBondContact OD2-SG 2.69Å; D158-C161 VanDerWaalsContact OD2-SG 3.34Å; C161-V165 HydrophobicContact CB-CG2 3.9Å
162	G	92.6	Very high	95.5	Very high	69 Å²	69	41.7 Å²	41.7	71%	0.711	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	27.7	-177.2	0	0	0	0	0	113.4	D158	D158-G162 PolarHBondContact O-N 3.37Å
163	G	94.1	Very high	95	Very high	15 Å²	15	43.2 Å²	43.2	16%	0.155	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-174.4	-173.8	0	0	0	0	0	113.7	D158	D158-G163 PolarHBondContact N-O 2.84Å; D158-G163 PolarHBondContact O-N 2.64Å
164	P	97.6	Very high	94.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.8	177.4	22.7	-27.9	0	0	0	112.1	I155 V156 L157 I192 Y226 F229	I155-P164 HydrophobicContact CG2-CB 4.46Å; V156-P164 CarbonylContact O-C 3.55Å; V156-P164 WeakPolarHBondContact O-CA 3.42Å; L157-P164 HydrophobicContact CD2-CB 4.36Å; P164-I192 HydrophobicContact CB-CB 4.35Å; P164-I192 HydrophobicContact CG-CB 4.02Å; P164-I192 HydrophobicContact CG-CG2 4.33Å; P164-I192 PolarHBondContact O-N 3.29Å; P164-Y226 HydrophobicContact CB-CE2 4.14Å; P164-Y226 HydrophobicContact CG-CE2 4.13Å; P164-F229 HydrophobicContact CB-CE1 3.98Å
165	V	98	Very high	93.9	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127	173.4	177.1	0	0	0	0	108.8	I155 V156 D158 C161 I167 K189 P191	I155-V165 WeakPolarHBondContact CA-O 3.42Å; V156-V165 HydrophobicContact CG2-CB 4.47Å; V156-V165 PolarHBondContact N-O 3.29Å; V156-V165 PolarHBondContact O-N 3.4Å; D158-V165 HydrophobicContact CB-CB 4.16Å; D158-V165 HydrophobicContact CB-CG2 3.5Å; C161-V165 HydrophobicContact CB-CG2 3.9Å; V165-I167 HydrophobicContact CG1-CG1 4.08Å; V165-K189 HydrophobicContact CG1-CB 4.17Å; V165-P191 HydrophobicContact CG2-CB 4.42Å
166	M	98.1	Very high	93.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.5	171.1	-175.3	175.3	54.2	0	0	109.6	L153 A154 I155 K189 I190 I192 L198 M206 I222	L153-M166 HydrophobicContact CD1-CG 3.86Å; L153-M166 HydrophobicContact CD1-SD 4.09Å; A154-M166 CarbonylContact O-C 3.59Å; A154-M166 WeakPolarHBondContact O-CA 3.34Å; I155-M166 HydrophobicContact CG1-CG 4.37Å; M166-K189 CarbonylContact O-C 3.54Å; M166-K189 WeakPolarHBondContact O-CA 3.31Å; M166-I190 HydrophobicContact CE-CB 4.27Å; M166-I190 HydrophobicContact CE-CD1 3.82Å; M166-I190 HydrophobicContact CE-CG1 4.46Å; M166-I190 PolarHBondContact N-O 2.78Å; M166-I190 PolarHBondContact O-N 2.8Å; M166-I192 HydrophobicContact CB-CD1 4.01Å; M166-L198 HydrophobicContact CE-CD1 4.04Å; M166-L198 HydrophobicContact SD-CD2 4.4Å; M166-M206 HydrophobicContact CE-CB 3.57Å; M166-M206 HydrophobicContact CE-CE 4Å; M166-M206 HydrophobicContact CE-CG 3.92Å; M166-M206 HydrophobicContact CG-CE 3.98Å; M166-M206 HydrophobicContact SD-CB 4.22Å; M166-M206 HydrophobicContact SD-CE 4.44Å; M166-M206 HydrophobicContact SD-CG 4.01Å; M166-I222 HydrophobicContact CE-CG2 4.3Å; M166-I222 HydrophobicContact SD-CG2 3.29Å; M166-I222 WeakPolarHBondContact SD-CG2 3.41Å
167	I	97.8	Very high	93.1	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	-177.8	-53.3	178	0	0	0	108.2	Y152 L153 A154 V156 V165 I188 K189	Y152-I167 HydrophobicContact CE1-CG2 4.32Å; L153-I167 CarbonylContact C-O 3.6Å; L153-I167 WeakPolarHBondContact CA-O 3.34Å; A154-I167 PolarHBondContact N-O 3.17Å; A154-I167 PolarHBondContact O-N 3Å; V156-I167 HydrophobicContact CG2-CD1 3.79Å; V156-I167 HydrophobicContact CG2-CG1 4.48Å; V165-I167 HydrophobicContact CG1-CG1 4.08Å; I167-I188 CarbonylContact C-O 3.45Å; I167-I188 VanDerWaalsContact CA-O 3.3Å; I167-I188 WeakPolarHBondContact CA-O 3.44Å; I167-K189 HydrophobicContact CG1-CG 4.3Å; I167-K189 HydrophobicContact CG2-CG 4.43Å
168	G	97.8	Very high	92.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.9	176.4	0	0	0	0	0	112.6	Y152 I188	Y152-G168 VanDerWaalsContact O-CA 3.29Å; Y152-G168 WeakPolarHBondContact O-CA 3.48Å; G168-I188 PolarHBondContact N-O 2.89Å; G168-I188 PolarHBondContact O-N 3.28Å
169	C	97.2	Very high	92.7	Very high	1 Å²	1	51 Å²	51	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.2	169	-167.9	0	0	0	0	110.5	Y152 Q171 I176 A186 L187 L210	Y152-C169 PolarHBondContact N-O 3.16Å; Y152-C169 PolarHBondContact O-N 2.93Å; C169-Q171 PolarHBondContact O-N 2.97Å; C169-I176 HydrophobicContact CB-CD1 4.09Å; C169-A186 PolarHBondContact SG-O 3.33Å; C169-L187 HydrophobicContact CB-CD2 3.91Å; C169-L210 VanDerWaalsContact C-CD2 3.47Å; C169-L210 WeakPolarHBondContact O-CD2 3.42Å
170	Q	95.4	Very high	92.6	Very high	114 Å²	114	45.9 Å²	45.9	53%	0.533	29%	0.29	S	S	.	.	S	Bend	trans	-62.7	-23.7	174.5	-71.1	-174.4	-10.3	0	0	112.7	H151 Q209	H151-Q170 PolarHBondContact ND1-O 3.24Å; Q170-Q209 WeakPolarHBondContact CG-O 3.48Å; Q170-Q209 PolarHBondContact NE2-O 3.05Å
171	Q	92.9	Very high	92.7	Very high	111 Å²	111	48.2 Å²	48.2	52%	0.519	28%	0.281	S	S	.	.			trans	-95.9	98.2	178	-62.4	178.9	13.5	0	0	109.8	C169 I179	C169-Q171 PolarHBondContact O-N 2.97Å; Q171-I179 HydrophobicContact CB-CD1 3.81Å
172	G	91.6	Very high	92.9	Very high	10 Å²	10	50 Å²	50	10%	0.103	29%	0.286	C	S	.	.			trans	-95	176.4	170.1	0	0	0	0	0	113	E150 V174	E150-G172 WeakPolarHBondContact O-CA 3.49Å; E150-G172 PolarHBondContact O-N 2.74Å; G172-V174 PolarHBondContact O-N 3.41Å
173	G	87.7	Confident	92.9	Very high	45 Å²	45	50.4 Å²	50.4	46%	0.464	27%	0.272	S	S	.	.	S	Bend	trans	76.6	4	176.4	0	0	0	0	0	114.4	N240	G173-N240 WeakPolarHBondContact CA-OD1 3.26Å; G173-N240 PolarHBondContact N-OD1 3.44Å
174	V	86.7	Confident	92.8	Very high	72 Å²	72	53.2 Å²	53.2	44%	0.436	29%	0.288	S	S	.	.	S	Bend	trans	-122.9	168.9	-178	-60.1	0	0	0	0	111.5	G172 I176 I179 N240	G172-V174 PolarHBondContact O-N 3.41Å; V174-I176 PolarHBondContact O-N 2.85Å; V174-I179 HydrophobicContact CG2-CD1 3.49Å; V174-I179 VanDerWaalsContact CG2-CD1 3.49Å; V174-I179 HydrophobicContact CG2-CG1 4.17Å; V174-N240 PolarHBondContact O-ND2 3.11Å
175	N	87.2	Confident	92.6	Very high	62 Å²	62	60.3 Å²	60.3	33%	0.332	33%	0.325	S	S	.	.			trans	-69	120.3	174.7	179.1	-78.1	0	0	0	109.3	E177 D178	N175-E177 VanDerWaalsContact C-N 3.32Å; N175-E177 PolarHBondContact ND2-OE2 3.46Å; N175-E177 WeakPolarHBondContact OD1-CA 3.25Å; N175-E177 VanDerWaalsContact OD1-CB 3.31Å; N175-E177 WeakPolarHBondContact OD1-CB 3.33Å; N175-E177 PolarHBondContact OD1-N 3.37Å; N175-E177 PolarHBondContact OD1-OE2 3.18Å; N175-D178 HydrophobicContact CB-CB 4.46Å; N175-D178 PolarHBondContact O-N 3.02Å; N175-D178 PolarHBondContact OD1-N 2.67Å
176	I	89.4	Confident	92.5	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-74.3	-27.5	-174.2	-165.9	63.8	0	0	0	111.8	Y152 C169 V174 D178 I179 A180 L187	Y152-I176 HydrophobicContact CD1-CD1 3.64Å; Y152-I176 HydrophobicContact CD1-CG1 3.92Å; Y152-I176 HydrophobicContact CD2-CB 4.1Å; Y152-I176 HydrophobicContact CD2-CD1 3.99Å; Y152-I176 HydrophobicContact CD2-CG1 4.12Å; Y152-I176 HydrophobicContact CE1-CB 4.41Å; Y152-I176 HydrophobicContact CE1-CD1 3.97Å; Y152-I176 HydrophobicContact CE1-CG1 3.69Å; Y152-I176 HydrophobicContact CE2-CB 3.72Å; Y152-I176 HydrophobicContact CE2-CD1 4.29Å; Y152-I176 HydrophobicContact CE2-CG1 3.9Å; Y152-I176 HydrophobicContact CE2-CG2 3.93Å; Y152-I176 HydrophobicContact CG-CD1 3.65Å; Y152-I176 HydrophobicContact CG-CG1 4.13Å; C169-I176 HydrophobicContact CB-CD1 4.09Å; V174-I176 PolarHBondContact O-N 2.85Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.42Å; I176-I179 HydrophobicContact CD1-CB 4.34Å; I176-I179 HydrophobicContact CD1-CD1 4.17Å; I176-I179 PolarHBondContact O-N 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.45Å; I176-A180 PolarHBondContact O-N 3.37Å; I176-L187 HydrophobicContact CD1-CD2 3.53Å; I176-L187 HydrophobicContact CG1-CD2 4.16Å
177	E	87.4	Confident	92.4	Very high	104 Å²	104	62.4 Å²	62.4	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-33	177.5	-58.7	89.4	160.1	0	0	111.8	N175 A180 R181	N175-E177 VanDerWaalsContact C-N 3.32Å; N175-E177 PolarHBondContact ND2-OE2 3.46Å; N175-E177 WeakPolarHBondContact OD1-CA 3.25Å; N175-E177 VanDerWaalsContact OD1-CB 3.31Å; N175-E177 WeakPolarHBondContact OD1-CB 3.33Å; N175-E177 PolarHBondContact OD1-N 3.37Å; N175-E177 PolarHBondContact OD1-OE2 3.18Å; E177-A180 PolarHBondContact O-N 3.39Å; E177-R181 VanDerWaalsContact O-CB 3.32Å; E177-R181 WeakPolarHBondContact O-CB 3.46Å; E177-R181 PolarHBondContact O-N 2.89Å
178	D	89.3	Confident	92.3	Very high	66 Å²	66	62.5 Å²	62.5	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-44.9	171.1	-70.6	-31.2	0	0	0	111.3	N175 I176 R181 D182	N175-D178 HydrophobicContact CB-CB 4.46Å; N175-D178 PolarHBondContact O-N 3.02Å; N175-D178 PolarHBondContact OD1-N 2.67Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.42Å; D178-R181 PolarHBondContact O-N 2.99Å; D178-R181 IonicContact OD1-CZ 3.38Å; D178-R181 IonicContact OD1-NH2 3.36Å; D178-R181 PolarHBondContact OD1-NH2 2.88Å; D178-D182 WeakPolarHBondContact O-CB 3.49Å; D178-D182 PolarHBondContact O-N 3.26Å
179	I	91	Very high	92.3	Very high	13 Å²	13	68.8 Å²	68.8	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-45.6	174.5	-62.7	177.9	0	0	0	110.7	Q171 V174 I176 R181 D182 N183 A186 L187	Q171-I179 HydrophobicContact CB-CD1 3.81Å; V174-I179 HydrophobicContact CG2-CD1 3.49Å; V174-I179 VanDerWaalsContact CG2-CD1 3.49Å; V174-I179 HydrophobicContact CG2-CG1 4.17Å; I176-I179 HydrophobicContact CD1-CB 4.34Å; I176-I179 HydrophobicContact CD1-CD1 4.17Å; I176-I179 PolarHBondContact O-N 3.42Å; I179-R181 PolarHBondContact O-N 3.27Å; I179-D182 PolarHBondContact O-N 3.15Å; I179-N183 CarbonylContact O-C 3.58Å; I179-N183 WeakPolarHBondContact O-CA 3.1Å; I179-N183 PolarHBondContact O-N 3Å; I179-A186 HydrophobicContact CG2-CB 3.95Å; I179-L187 HydrophobicContact CG2-CD2 4Å; I179-L187 HydrophobicContact CG2-CG 4.42Å
180	A	91.7	Very high	92.3	Very high	44 Å²	44	69.5 Å²	69.5	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-59.2	-32	179.8	0	0	0	0	0	112.7	I176 E177 L187	I176-A180 WeakPolarHBondContact O-CB 3.45Å; I176-A180 PolarHBondContact O-N 3.37Å; E177-A180 PolarHBondContact O-N 3.39Å; A180-L187 HydrophobicContact CB-CD1 3.7Å
181	R	92	Very high	92.4	Very high	161 Å²	161	67.8 Å²	67.8	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-81.9	-46.8	178.3	178	173.9	52.1	84.3	1.2	112.4	E177 D178 I179	E177-R181 VanDerWaalsContact O-CB 3.32Å; E177-R181 WeakPolarHBondContact O-CB 3.46Å; E177-R181 PolarHBondContact O-N 2.89Å; D178-R181 PolarHBondContact O-N 2.99Å; D178-R181 IonicContact OD1-CZ 3.38Å; D178-R181 IonicContact OD1-NH2 3.36Å; D178-R181 PolarHBondContact OD1-NH2 2.88Å; I179-R181 PolarHBondContact O-N 3.27Å
182	D	94.3	Very high	92.6	Very high	109 Å²	109	63 Å²	63	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-93.3	-27.9	-168.4	-62.4	-22.1	0	0	0	112.7	D178 I179	D178-D182 WeakPolarHBondContact O-CB 3.49Å; D178-D182 PolarHBondContact O-N 3.26Å; I179-D182 PolarHBondContact O-N 3.15Å
183	N	93	Very high	92.8	Very high	77 Å²	77	65.8 Å²	65.8	41%	0.412	36%	0.36	S	S	.	.			trans	-147.9	70.4	177	-172.8	7.1	0	0	0	111.9	I179 D185 A186	I179-N183 CarbonylContact O-C 3.58Å; I179-N183 WeakPolarHBondContact O-CA 3.1Å; I179-N183 PolarHBondContact O-N 3Å; N183-D185 PolarHBondContact O-N 3.47Å; N183-D185 VanDerWaalsContact O-N 3.16Å; N183-A186 HydrophobicContact CB-CB 4.47Å; N183-A186 WeakPolarHBondContact O-CB 3.11Å; N183-A186 PolarHBondContact O-N 3.29Å; N183-A186 VanDerWaalsContact O-N 3.08Å
184	P	92.8	Very high	93.1	Very high	75 Å²	75	68.6 Å²	68.6	49%	0.487	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.5	-176.8	22.7	-33.7	0	0	0	114	A186 L187	P184-A186 PolarHBondContact O-N 2.74Å; P184-L187 WeakPolarHBondContact O-CB 3.48Å; P184-L187 PolarHBondContact O-N 2.83Å; P184-L187 VanDerWaalsContact O-N 3.12Å
185	D	94.3	Very high	93.4	Very high	152 Å²	152	72.5 Å²	72.5	81%	0.813	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16.4	179.6	-65.7	-27.9	0	0	0	112.9	N183 L187	N183-D185 PolarHBondContact O-N 3.47Å; N183-D185 VanDerWaalsContact O-N 3.16Å; D185-L187 PolarHBondContact O-N 2.75Å
186	A	94.8	Very high	93.8	Very high	25 Å²	25	77.6 Å²	77.6	21%	0.207	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-72.2	-11.3	172.1	0	0	0	0	0	113.3	C169 I179 N183 P184	C169-A186 PolarHBondContact SG-O 3.33Å; I179-A186 HydrophobicContact CG2-CB 3.95Å; N183-A186 HydrophobicContact CB-CB 4.47Å; N183-A186 WeakPolarHBondContact O-CB 3.11Å; N183-A186 PolarHBondContact O-N 3.29Å; N183-A186 VanDerWaalsContact O-N 3.08Å; P184-A186 PolarHBondContact O-N 2.74Å
187	L	95.9	Very high	94.1	Very high	25 Å²	25	77.7 Å²	77.7	13%	0.131	41%	0.406	C	S	.	.			trans	-93.5	112.7	179.4	-57.2	-178	0	0	0	110.8	C169 I176 I179 A180 P184 D185	C169-L187 HydrophobicContact CB-CD2 3.91Å; I176-L187 HydrophobicContact CD1-CD2 3.53Å; I176-L187 HydrophobicContact CG1-CD2 4.16Å; I179-L187 HydrophobicContact CG2-CD2 4Å; I179-L187 HydrophobicContact CG2-CG 4.42Å; A180-L187 HydrophobicContact CB-CD1 3.7Å; P184-L187 WeakPolarHBondContact O-CB 3.48Å; P184-L187 PolarHBondContact O-N 2.83Å; P184-L187 VanDerWaalsContact O-N 3.12Å; D185-L187 PolarHBondContact O-N 2.75Å
188	I	96.9	Very high	94.6	Very high	31 Å²	31	73.6 Å²	73.6	16%	0.159	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	127.3	168	-57.6	108.2	0	0	0	108.3	I167 G168 I190 F205 M206 Q209	I167-I188 CarbonylContact C-O 3.45Å; I167-I188 VanDerWaalsContact CA-O 3.3Å; I167-I188 WeakPolarHBondContact CA-O 3.44Å; G168-I188 PolarHBondContact N-O 2.89Å; G168-I188 PolarHBondContact O-N 3.28Å; I188-I190 HydrophobicContact CG2-CD1 4.45Å; I188-I190 HydrophobicContact CG2-CG1 4.17Å; I188-F205 HydrophobicContact CG2-CE1 4.07Å; I188-M206 HydrophobicContact CB-CE 4.11Å; I188-M206 HydrophobicContact CB-SD 4.3Å; I188-M206 HydrophobicContact CG2-CE 3.83Å; I188-M206 HydrophobicContact CG2-SD 4.29Å; I188-Q209 HydrophobicContact CD1-CB 3.64Å; I188-Q209 HydrophobicContact CD1-CG 4.4Å; I188-Q209 HydrophobicContact CG1-CB 3.98Å; I188-Q209 HydrophobicContact CG1-CG 4.21Å; I188-Q209 HydrophobicContact CG2-CG 4.45Å
189	K	97.1	Very high	94.8	Very high	132 Å²	132	74 Å²	74	57%	0.574	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.8	177	-59.1	-177.3	-176.6	176.8	0	110.1	V165 M166 I167	V165-K189 HydrophobicContact CG1-CB 4.17Å; M166-K189 CarbonylContact O-C 3.54Å; M166-K189 WeakPolarHBondContact O-CA 3.31Å; I167-K189 HydrophobicContact CG1-CG 4.3Å; I167-K189 HydrophobicContact CG2-CG 4.43Å
190	I	97.3	Very high	95.1	Very high	16 Å²	16	78.8 Å²	78.8	8%	0.082	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.2	178.8	-51.9	-179.3	0	0	0	108.3	M166 I188 D202 F205 M206	M166-I190 HydrophobicContact CE-CB 4.27Å; M166-I190 HydrophobicContact CE-CD1 3.82Å; M166-I190 HydrophobicContact CE-CG1 4.46Å; M166-I190 PolarHBondContact N-O 2.78Å; M166-I190 PolarHBondContact O-N 2.8Å; I188-I190 HydrophobicContact CG2-CD1 4.45Å; I188-I190 HydrophobicContact CG2-CG1 4.17Å; I190-D202 HydrophobicContact CG2-CB 4.11Å; I190-F205 HydrophobicContact CD1-CD1 3.58Å; I190-F205 HydrophobicContact CD1-CE1 4.13Å; I190-M206 HydrophobicContact CD1-CB 4.2Å; I190-M206 HydrophobicContact CD1-CE 3.88Å; I190-M206 HydrophobicContact CG1-CE 4.01Å
191	P	97.3	Very high	95.3	Very high	77 Å²	77	84.5 Å²	84.5	50%	0.5	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	139.7	170.1	-19.1	32.2	0	0	0	110.9	V165	V165-P191 HydrophobicContact CG2-CB 4.42Å
192	I	97.6	Very high	95.6	Very high	12 Å²	12	78.8 Å²	78.8	6%	0.062	41%	0.408	C	S	.	.			trans	-112.2	127	179	-60.6	166.3	0	0	0	108.4	P164 M166 I194 L198 Y226	P164-I192 HydrophobicContact CB-CB 4.35Å; P164-I192 HydrophobicContact CG-CB 4.02Å; P164-I192 HydrophobicContact CG-CG2 4.33Å; P164-I192 PolarHBondContact O-N 3.29Å; M166-I192 HydrophobicContact CB-CD1 4.01Å; I192-I194 PolarHBondContact O-N 3.48Å; I192-L198 HydrophobicContact CD1-CB 4.22Å; I192-L198 HydrophobicContact CD1-CD1 3.94Å; I192-L198 HydrophobicContact CG1-CD1 4.02Å; I192-L198 HydrophobicContact CG2-CB 4.32Å; I192-Y226 HydrophobicContact CB-CE2 4.31Å; I192-Y226 HydrophobicContact CD1-CD2 3.59Å; I192-Y226 HydrophobicContact CD1-CE2 3.71Å; I192-Y226 HydrophobicContact CD1-CG 4.43Å; I192-Y226 HydrophobicContact CG2-CE1 4.42Å; I192-Y226 HydrophobicContact CG2-CE2 3.73Å
193	D	95.6	Very high	95.8	Very high	67 Å²	67	73.6 Å²	73.6	36%	0.358	38%	0.38	S	S	.	.			trans	-68	117.8	171.7	-178.2	-44.5	0	0	0	108.7	D195 K196 G197	D193-D195 VanDerWaalsContact C-N 3.29Å; D193-D195 PolarHBondContact O-N 3.29Å; D193-D195 PolarHBondContact OD1-N 2.92Å; D193-K196 HydrophobicContact CB-CB 4.23Å; D193-K196 HydrophobicContact CB-CD 4.39Å; D193-K196 HydrophobicContact CB-CG 4.47Å; D193-K196 PolarHBondContact O-N 3.2Å; D193-K196 PolarHBondContact OD1-N 3.42Å; D193-K196 VanDerWaalsContact OD1-N 3.15Å; D193-K196 IonicContact OD2-NZ 3.85Å; D193-K196 PolarHBondContact OD2-NZ 3.08Å; D193-G197 WeakPolarHBondContact O-CA 3.38Å; D193-G197 PolarHBondContact O-N 2.77Å
194	I	94	Very high	96	Very high	105 Å²	105	71.7 Å²	71.7	54%	0.538	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.7	-173.8	-163	168	0	0	0	112.9	I192	I192-I194 PolarHBondContact O-N 3.48Å
195	D	93.6	Very high	96.3	Very high	154 Å²	154	72.9 Å²	72.9	82%	0.824	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-32.1	-179.6	-65.9	-37.9	0	0	0	111.2	D193	D193-D195 VanDerWaalsContact C-N 3.29Å; D193-D195 PolarHBondContact O-N 3.29Å; D193-D195 PolarHBondContact OD1-N 2.92Å
196	K	95.1	Very high	96.5	Very high	169 Å²	169	65.6 Å²	65.6	74%	0.735	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-26	179.9	-62.8	178.1	-169.4	121.6	0	113.6	D193	D193-K196 HydrophobicContact CB-CB 4.23Å; D193-K196 HydrophobicContact CB-CD 4.39Å; D193-K196 HydrophobicContact CB-CG 4.47Å; D193-K196 PolarHBondContact O-N 3.2Å; D193-K196 PolarHBondContact OD1-N 3.42Å; D193-K196 VanDerWaalsContact OD1-N 3.15Å; D193-K196 IonicContact OD2-NZ 3.85Å; D193-K196 PolarHBondContact OD2-NZ 3.08Å
197	G	95.8	Very high	96.6	Very high	17 Å²	17	64.4 Å²	64.4	18%	0.175	32%	0.318	C	S	.	.			trans	73	-178.1	-169.7	0	0	0	0	0	113.8	D193 N199	D193-G197 WeakPolarHBondContact O-CA 3.38Å; D193-G197 PolarHBondContact O-N 2.77Å; G197-N199 PolarHBondContact O-N 3.48Å
198	L	97.1	Very high	96.7	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.099	34%	0.338	C	S	.	.			trans	-68.3	118.8	176.3	179.6	64.4	0	0	0	110.3	M166 I192 D202 A203 I222 Y226	M166-L198 HydrophobicContact CE-CD1 4.04Å; M166-L198 HydrophobicContact SD-CD2 4.4Å; I192-L198 HydrophobicContact CD1-CB 4.22Å; I192-L198 HydrophobicContact CD1-CD1 3.94Å; I192-L198 HydrophobicContact CG1-CD1 4.02Å; I192-L198 HydrophobicContact CG2-CB 4.32Å; L198-D202 HydrophobicContact CD1-CB 3.89Å; L198-A203 HydrophobicContact CD2-CB 4.13Å; L198-A203 HydrophobicContact CG-CB 4.44Å; L198-I222 HydrophobicContact CD2-CG2 3.75Å; L198-Y226 HydrophobicContact CB-CD1 3.45Å; L198-Y226 VanDerWaalsContact CB-CD1 3.45Å; L198-Y226 HydrophobicContact CB-CD2 4.15Å; L198-Y226 HydrophobicContact CB-CE1 3.98Å; L198-Y226 HydrophobicContact CB-CG 3.53Å; L198-Y226 HydrophobicContact CD2-CG 4.29Å
199	N	94.4	Very high	96.7	Very high	73 Å²	73	70.8 Å²	70.8	39%	0.39	35%	0.347	S	S	.	.			trans	-83.4	151.8	173.7	70.2	69.6	0	0	0	111.3	G197 K201 D202 A203	G197-N199 PolarHBondContact O-N 3.48Å; N199-K201 PolarHBondContact O-N 3.39Å; N199-K201 WeakPolarHBondContact OD1-CA 3.48Å; N199-K201 WeakPolarHBondContact OD1-CB 3.38Å; N199-K201 PolarHBondContact OD1-N 3.28Å; N199-K201 VanDerWaalsContact OD1-N 3.1Å; N199-D202 PolarHBondContact ND2-OD2 3.09Å; N199-D202 PolarHBondContact O-N 2.84Å; N199-D202 PolarHBondContact OD1-N 2.94Å; N199-D202 PolarHBondContact OD1-OD2 3.47Å; N199-A203 PolarHBondContact O-N 2.96Å
200	K	96	Very high	96.6	Very high	114 Å²	114	64.5 Å²	64.5	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-58.2	-32	180	-174.5	172	-178	174.5	0	114.1	A203 L204	K200-A203 PolarHBondContact O-N 3.24Å; K200-L204 HydrophobicContact CG-CD1 4.03Å; K200-L204 HydrophobicContact CG-CG 4.36Å; K200-L204 WeakPolarHBondContact O-CB 3.3Å; K200-L204 WeakPolarHBondContact O-CG 3.3Å; K200-L204 PolarHBondContact O-N 3.01Å
201	K	97.5	Very high	96.5	Very high	165 Å²	165	64.8 Å²	64.8	72%	0.717	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-42.2	-179.7	177.6	-171.7	172	-170.5	0	110.7	N199 L204 F205	N199-K201 PolarHBondContact O-N 3.39Å; N199-K201 WeakPolarHBondContact OD1-CA 3.48Å; N199-K201 WeakPolarHBondContact OD1-CB 3.38Å; N199-K201 PolarHBondContact OD1-N 3.28Å; N199-K201 VanDerWaalsContact OD1-N 3.1Å; K201-L204 PolarHBondContact O-N 2.9Å; K201-F205 WeakPolarHBondContact O-CB 3.36Å; K201-F205 PolarHBondContact O-N 3.41Å
202	D	97.7	Very high	96.4	Very high	41 Å²	41	61.5 Å²	61.5	22%	0.219	30%	0.304	C	S	.	.	H	α-helix	trans	-72.1	-37.6	178.5	-68.3	-18.4	0	0	0	111.7	I190 L198 N199 F205 M206	I190-D202 HydrophobicContact CG2-CB 4.11Å; L198-D202 HydrophobicContact CD1-CB 3.89Å; N199-D202 PolarHBondContact ND2-OD2 3.09Å; N199-D202 PolarHBondContact O-N 2.84Å; N199-D202 PolarHBondContact OD1-N 2.94Å; N199-D202 PolarHBondContact OD1-OD2 3.47Å; D202-F205 PolarHBondContact O-N 3.31Å; D202-M206 WeakPolarHBondContact O-CB 3.35Å; D202-M206 PolarHBondContact O-N 3.5Å
203	A	98.1	Very high	96.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-45.6	172.1	0	0	0	0	0	111.9	L198 N199 K200 M206 A207 A219 I222 E223	L198-A203 HydrophobicContact CD2-CB 4.13Å; L198-A203 HydrophobicContact CG-CB 4.44Å; N199-A203 PolarHBondContact O-N 2.96Å; K200-A203 PolarHBondContact O-N 3.24Å; A203-M206 PolarHBondContact O-N 3.48Å; A203-A207 WeakPolarHBondContact O-CB 3.4Å; A203-A207 PolarHBondContact O-N 3.31Å; A203-A219 HydrophobicContact CB-CB 4Å; A203-I222 HydrophobicContact CB-CB 4.28Å; A203-I222 HydrophobicContact CB-CG2 4.1Å; A203-E223 HydrophobicContact CB-CG 3.82Å
204	L	98	Very high	96.1	Very high	37 Å²	37	65 Å²	65	19%	0.194	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-44.4	174.3	-78.5	168.1	0	0	0	112	K200 K201 M206 A207 H208 N216 A219	K200-L204 HydrophobicContact CG-CD1 4.03Å; K200-L204 HydrophobicContact CG-CG 4.36Å; K200-L204 WeakPolarHBondContact O-CB 3.3Å; K200-L204 WeakPolarHBondContact O-CG 3.3Å; K200-L204 PolarHBondContact O-N 3.01Å; K201-L204 PolarHBondContact O-N 2.9Å; L204-M206 VanDerWaalsContact C-N 3.34Å; L204-M206 PolarHBondContact O-N 2.96Å; L204-A207 PolarHBondContact O-N 2.97Å; L204-H208 PolarHBondContact O-CD2 2.95Å; L204-H208 PolarHBondContact O-N 3.23Å; L204-N216 WeakPolarHBondContact CD2-OD1 3.5Å; L204-A219 HydrophobicContact CB-CB 4.42Å; L204-A219 HydrophobicContact CD2-CB 3.63Å; L204-A219 HydrophobicContact CG-CB 3.77Å
205	F	98.2	Very high	96.1	Very high	99 Å²	99	60.9 Å²	60.9	43%	0.434	31%	0.307	S	S	.	.	H	α-helix	trans	-58.6	-47.8	177.3	177.3	-94	0	0	0	110.7	I188 I190 K201 D202 A207 H208 Q209	I188-F205 HydrophobicContact CG2-CE1 4.07Å; I190-F205 HydrophobicContact CD1-CD1 3.58Å; I190-F205 HydrophobicContact CD1-CE1 4.13Å; K201-F205 WeakPolarHBondContact O-CB 3.36Å; K201-F205 PolarHBondContact O-N 3.41Å; D202-F205 PolarHBondContact O-N 3.31Å; F205-A207 PolarHBondContact O-N 3.34Å; F205-H208 PolarHBondContact O-N 3.12Å; F205-Q209 HydrophobicContact CD1-CG 3.98Å; F205-Q209 HydrophobicContact CE1-CG 3.57Å; F205-Q209 HydrophobicContact CE2-CG 4.16Å; F205-Q209 HydrophobicContact CG-CG 4.45Å; F205-Q209 HydrophobicContact CZ-CG 3.67Å; F205-Q209 VanDerWaalsContact O-CG 3.31Å; F205-Q209 WeakPolarHBondContact O-CG 3.34Å; F205-Q209 PolarHBondContact O-N 3.4Å
206	M	98.2	Very high	96.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-46.6	175.7	-176.3	57.5	79.5	0	0	111.6	L153 M166 I188 I190 D202 A203 L204 H208 Q209 L210 I222	L153-M206 HydrophobicContact CD1-CG 3.92Å; L153-M206 HydrophobicContact CD1-SD 4.48Å; M166-M206 HydrophobicContact CE-CB 3.57Å; M166-M206 HydrophobicContact CE-CE 4Å; M166-M206 HydrophobicContact CE-CG 3.92Å; M166-M206 HydrophobicContact CG-CE 3.98Å; M166-M206 HydrophobicContact SD-CB 4.22Å; M166-M206 HydrophobicContact SD-CE 4.44Å; M166-M206 HydrophobicContact SD-CG 4.01Å; I188-M206 HydrophobicContact CB-CE 4.11Å; I188-M206 HydrophobicContact CB-SD 4.3Å; I188-M206 HydrophobicContact CG2-CE 3.83Å; I188-M206 HydrophobicContact CG2-SD 4.29Å; I190-M206 HydrophobicContact CD1-CB 4.2Å; I190-M206 HydrophobicContact CD1-CE 3.88Å; I190-M206 HydrophobicContact CG1-CE 4.01Å; D202-M206 WeakPolarHBondContact O-CB 3.35Å; D202-M206 PolarHBondContact O-N 3.5Å; A203-M206 PolarHBondContact O-N 3.48Å; L204-M206 VanDerWaalsContact C-N 3.34Å; L204-M206 PolarHBondContact O-N 2.96Å; M206-H208 VanDerWaalsContact C-N 3.29Å; M206-H208 PolarHBondContact O-N 2.99Å; M206-Q209 PolarHBondContact O-N 2.9Å; M206-Q209 VanDerWaalsContact O-N 3.12Å; M206-L210 HydrophobicContact CG-CD1 4.12Å; M206-L210 HydrophobicContact CG-CG 4.32Å; M206-L210 WeakPolarHBondContact O-CG 3.5Å; M206-L210 PolarHBondContact O-N 3.16Å; M206-L210 HydrophobicContact SD-CD1 4.32Å; M206-L210 HydrophobicContact SD-CD2 4.3Å; M206-L210 HydrophobicContact SD-CG 4.05Å; M206-I222 HydrophobicContact CB-CD1 4.2Å; M206-I222 HydrophobicContact CG-CD1 4.12Å
207	A	97.7	Very high	96.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-40.2	177	0	0	0	0	0	113.2	A203 L204 F205 G211 F212 P215 A218 I222	A203-A207 WeakPolarHBondContact O-CB 3.4Å; A203-A207 PolarHBondContact O-N 3.31Å; L204-A207 PolarHBondContact O-N 2.97Å; F205-A207 PolarHBondContact O-N 3.34Å; A207-G211 PolarHBondContact O-N 3Å; A207-F212 PolarHBondContact O-N 3.29Å; A207-P215 HydrophobicContact CB-CB 3.94Å; A207-P215 WeakPolarHBondContact CB-O 3.28Å; A207-A218 HydrophobicContact CB-CB 3.65Å; A207-I222 HydrophobicContact CB-CD1 4.1Å
208	H	97.2	Very high	96.3	Very high	116 Å²	116	50.4 Å²	50.4	54%	0.537	25%	0.254	S	S	.	.	H	α-helix	trans	-66.3	-44.1	173.8	-81.8	-71.2	0	0	0	112.3	L204 F205 M206 L210 G211 P215	L204-H208 PolarHBondContact O-CD2 2.95Å; L204-H208 PolarHBondContact O-N 3.23Å; F205-H208 PolarHBondContact O-N 3.12Å; M206-H208 VanDerWaalsContact C-N 3.29Å; M206-H208 PolarHBondContact O-N 2.99Å; H208-L210 VanDerWaalsContact C-N 3.32Å; H208-L210 PolarHBondContact O-N 3.1Å; H208-G211 WeakPolarHBondContact O-CA 3.48Å; H208-G211 PolarHBondContact O-N 3.31Å; H208-P215 WeakPolarHBondContact CE1-CG 3.19Å
209	Q	96.7	Very high	96.4	Very high	74 Å²	74	49.5 Å²	49.5	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-36.3	178.8	-69.4	-58.5	-42.1	0	0	112.2	Q170 I188 F205 M206 G211	Q170-Q209 WeakPolarHBondContact CG-O 3.48Å; Q170-Q209 PolarHBondContact NE2-O 3.05Å; I188-Q209 HydrophobicContact CD1-CB 3.64Å; I188-Q209 HydrophobicContact CD1-CG 4.4Å; I188-Q209 HydrophobicContact CG1-CB 3.98Å; I188-Q209 HydrophobicContact CG1-CG 4.21Å; I188-Q209 HydrophobicContact CG2-CG 4.45Å; F205-Q209 HydrophobicContact CD1-CG 3.98Å; F205-Q209 HydrophobicContact CE1-CG 3.57Å; F205-Q209 HydrophobicContact CE2-CG 4.16Å; F205-Q209 HydrophobicContact CG-CG 4.45Å; F205-Q209 HydrophobicContact CZ-CG 3.67Å; F205-Q209 VanDerWaalsContact O-CG 3.31Å; F205-Q209 WeakPolarHBondContact O-CG 3.34Å; F205-Q209 PolarHBondContact O-N 3.4Å; M206-Q209 PolarHBondContact O-N 2.9Å; M206-Q209 VanDerWaalsContact O-N 3.12Å; Q209-G211 PolarHBondContact O-N 2.84Å
210	L	96.3	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-19.8	173.3	-64.8	-178.1	0	0	0	112.4	H151 L153 C169 M206 H208 F212	H151-L210 HydrophobicContact CB-CB 4.39Å; H151-L210 HydrophobicContact CB-CD1 4.48Å; H151-L210 HydrophobicContact CB-CD2 4.28Å; H151-L210 PolarHBondContact CE1-O 3.31Å; H151-L210 PolarHBondContact ND1-O 3.22Å; H151-L210 PolarHBondContact NE2-O 3.13Å; H151-L210 VanDerWaalsContact NE2-O 3.16Å; L153-L210 HydrophobicContact CD1-CD1 4.28Å; C169-L210 VanDerWaalsContact C-CD2 3.47Å; C169-L210 WeakPolarHBondContact O-CD2 3.42Å; M206-L210 HydrophobicContact CG-CD1 4.12Å; M206-L210 HydrophobicContact CG-CG 4.32Å; M206-L210 WeakPolarHBondContact O-CG 3.5Å; M206-L210 PolarHBondContact O-N 3.16Å; M206-L210 HydrophobicContact SD-CD1 4.32Å; M206-L210 HydrophobicContact SD-CD2 4.3Å; M206-L210 HydrophobicContact SD-CG 4.05Å; H208-L210 VanDerWaalsContact C-N 3.32Å; H208-L210 PolarHBondContact O-N 3.1Å; L210-F212 HydrophobicContact CB-CD2 3.89Å; L210-F212 HydrophobicContact CB-CE2 3.84Å; L210-F212 HydrophobicContact CD1-CE2 3.81Å; L210-F212 HydrophobicContact CG-CE2 4.49Å
211	G	94.3	Very high	96.6	Very high	22 Å²	22	45 Å²	45	23%	0.227	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	27.8	174.5	0	0	0	0	0	114.4	R149 A207 H208 Q209	R149-G211 PolarHBondContact NH1-O 3.23Å; A207-G211 PolarHBondContact O-N 3Å; H208-G211 WeakPolarHBondContact O-CA 3.48Å; H208-G211 PolarHBondContact O-N 3.31Å; Q209-G211 PolarHBondContact O-N 2.84Å
212	F	95.1	Very high	96.6	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	20%	0.196	C	C	.	.			trans	-65	135.7	171.9	-75	-74.7	0	0	0	111.2	H151 A207 L210 N214 A218 I242 Q244 V250	H151-F212 AromaticContact CD2-CE1 3.86Å; H151-F212 AromaticContact CD2-CE2 3.95Å; H151-F212 AromaticContact CD2-CZ 3.67Å; A207-F212 PolarHBondContact O-N 3.29Å; L210-F212 HydrophobicContact CB-CD2 3.89Å; L210-F212 HydrophobicContact CB-CE2 3.84Å; L210-F212 HydrophobicContact CD1-CE2 3.81Å; L210-F212 HydrophobicContact CG-CE2 4.49Å; F212-N214 VanDerWaalsContact C-N 3.27Å; F212-N214 PolarHBondContact O-N 3.49Å; F212-A218 HydrophobicContact CB-CB 3.99Å; F212-A218 HydrophobicContact CD1-CB 4.29Å; F212-A218 HydrophobicContact CD2-CB 3.54Å; F212-A218 HydrophobicContact CE2-CB 4.03Å; F212-A218 HydrophobicContact CG-CB 3.68Å; F212-I242 HydrophobicContact CZ-CD1 4.11Å; F212-I242 HydrophobicContact CZ-CG1 4Å; F212-I242 HydrophobicContact CZ-CG2 4.13Å; F212-Q244 HydrophobicContact CD1-CB 4.2Å; F212-Q244 HydrophobicContact CE1-CB 4.27Å; F212-V250 HydrophobicContact CD1-CG2 3.79Å; F212-V250 HydrophobicContact CE1-CB 4.38Å; F212-V250 HydrophobicContact CE1-CG1 3.92Å; F212-V250 HydrophobicContact CE1-CG2 3.86Å; F212-V250 HydrophobicContact CG-CG2 4.49Å; F212-V250 HydrophobicContact CZ-CG1 4.11Å
213	T	93	Very high	96.6	Very high	95 Å²	95	38.1 Å²	38.1	58%	0.583	20%	0.199	S	C	*	.	S	Bend	trans	-72.2	-22.4	177.1	70.9	0	0	0	0	113.1	P215 Q244	T213-P215 VanDerWaalsContact C-CD 3.49Å; T213-P215 WeakPolarHBondContact O-CD 3.37Å; T213-Q244 PolarHBondContact OG1-NE2 3.04Å
214	N	93.7	Very high	96.6	Very high	58 Å²	58	41.6 Å²	41.6	31%	0.31	21%	0.212	S	C	.	.	S	Bend	trans	-116.8	77.8	170.6	-171.4	1.5	0	0	0	110.2	F212 N216 E217 A218	F212-N214 VanDerWaalsContact C-N 3.27Å; F212-N214 PolarHBondContact O-N 3.49Å; N214-N216 PolarHBondContact O-N 3.48Å; N214-E217 HydrophobicContact CB-CB 4.19Å; N214-E217 WeakPolarHBondContact ND2-CB 3.47Å; N214-E217 PolarHBondContact ND2-OE2 2.8Å; N214-E217 PolarHBondContact O-N 3.39Å; N214-E217 PolarHBondContact OD1-N 2.79Å; N214-A218 PolarHBondContact O-N 3.45Å
215	P	95.1	Very high	96.6	Very high	18 Å²	18	39.9 Å²	39.9	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-25.9	-174.7	25.3	-33.8	0	0	0	112.8	A207 H208 T213 A219	A207-P215 HydrophobicContact CB-CB 3.94Å; A207-P215 WeakPolarHBondContact CB-O 3.28Å; H208-P215 WeakPolarHBondContact CE1-CG 3.19Å; T213-P215 VanDerWaalsContact C-CD 3.49Å; T213-P215 WeakPolarHBondContact O-CD 3.37Å; P215-A219 VanDerWaalsContact O-CB 3.26Å; P215-A219 WeakPolarHBondContact O-CB 3.42Å; P215-A219 PolarHBondContact O-N 2.88Å
216	N	96.3	Very high	96.6	Very high	95 Å²	95	35.9 Å²	35.9	51%	0.508	19%	0.185	S	C	.	.	H	α-helix	trans	-65.8	-42.7	175.4	-70.1	-57.2	0	0	0	112.1	L204 N214 V220	L204-N216 WeakPolarHBondContact CD2-OD1 3.5Å; N214-N216 PolarHBondContact O-N 3.48Å; N216-V220 WeakPolarHBondContact O-CG2 3.4Å; N216-V220 PolarHBondContact O-N 3.3Å
217	E	95.8	Very high	96.6	Very high	24 Å²	24	42 Å²	42	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-45.7	175.9	173.6	171.9	-166.6	0	0	111.2	N214 A219 V220 Y221 K249 V250	N214-E217 HydrophobicContact CB-CB 4.19Å; N214-E217 WeakPolarHBondContact ND2-CB 3.47Å; N214-E217 PolarHBondContact ND2-OE2 2.8Å; N214-E217 PolarHBondContact O-N 3.39Å; N214-E217 PolarHBondContact OD1-N 2.79Å; E217-A219 VanDerWaalsContact C-N 3.33Å; E217-A219 PolarHBondContact O-N 2.95Å; E217-V220 PolarHBondContact O-N 3.45Å; E217-Y221 HydrophobicContact CG-CD2 4.12Å; E217-Y221 HydrophobicContact CG-CE2 3.47Å; E217-Y221 VanDerWaalsContact CG-CE2 3.47Å; E217-Y221 VanDerWaalsContact O-CD2 3.29Å; E217-Y221 WeakPolarHBondContact O-CD2 3.45Å; E217-Y221 PolarHBondContact O-N 3.02Å; E217-K249 WeakPolarHBondContact OE1-CD 3.3Å; E217-K249 IonicContact OE1-NZ 3.93Å; E217-K249 PolarHBondContact OE1-NZ 3.46Å; E217-K249 IonicContact OE2-NZ 3.28Å; E217-K249 PolarHBondContact OE2-NZ 2.85Å; E217-V250 HydrophobicContact CG-CG2 4.21Å
218	A	96.6	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-44	175.3	0	0	0	0	0	111.9	A207 F212 N214 V220 Y221 I222 V250	A207-A218 HydrophobicContact CB-CB 3.65Å; F212-A218 HydrophobicContact CB-CB 3.99Å; F212-A218 HydrophobicContact CD1-CB 4.29Å; F212-A218 HydrophobicContact CD2-CB 3.54Å; F212-A218 HydrophobicContact CE2-CB 4.03Å; F212-A218 HydrophobicContact CG-CB 3.68Å; N214-A218 PolarHBondContact O-N 3.45Å; A218-V220 VanDerWaalsContact C-N 3.33Å; A218-V220 PolarHBondContact O-N 2.65Å; A218-Y221 PolarHBondContact O-N 3.36Å; A218-Y221 VanDerWaalsContact O-N 3.14Å; A218-I222 VanDerWaalsContact O-CG1 3.24Å; A218-I222 WeakPolarHBondContact O-CG1 3.33Å; A218-I222 PolarHBondContact O-N 3.27Å; A218-V250 HydrophobicContact CB-CG2 3.92Å
219	A	97.8	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-42	178	0	0	0	0	0	112.6	A203 L204 P215 E217 Y221 I222 E223	A203-A219 HydrophobicContact CB-CB 4Å; L204-A219 HydrophobicContact CB-CB 4.42Å; L204-A219 HydrophobicContact CD2-CB 3.63Å; L204-A219 HydrophobicContact CG-CB 3.77Å; P215-A219 VanDerWaalsContact O-CB 3.26Å; P215-A219 WeakPolarHBondContact O-CB 3.42Å; P215-A219 PolarHBondContact O-N 2.88Å; E217-A219 VanDerWaalsContact C-N 3.33Å; E217-A219 PolarHBondContact O-N 2.95Å; A219-Y221 VanDerWaalsContact C-N 3.31Å; A219-Y221 PolarHBondContact O-N 3.38Å; A219-I222 PolarHBondContact O-N 2.99Å; A219-E223 WeakPolarHBondContact O-CG 3.29Å; A219-E223 PolarHBondContact O-N 2.78Å
220	V	97.5	Very high	96.7	Very high	56 Å²	56	37.4 Å²	37.4	34%	0.339	19%	0.193	S	C	.	.	H	α-helix	trans	-59.7	-42.3	176.2	170.3	0	0	0	0	111.3	N216 E217 A218 E223 R224	N216-V220 WeakPolarHBondContact O-CG2 3.4Å; N216-V220 PolarHBondContact O-N 3.3Å; E217-V220 PolarHBondContact O-N 3.45Å; A218-V220 VanDerWaalsContact C-N 3.33Å; A218-V220 PolarHBondContact O-N 2.65Å; V220-E223 PolarHBondContact O-N 2.99Å; V220-R224 WeakPolarHBondContact O-CG 3.48Å; V220-R224 PolarHBondContact O-N 3.29Å
221	Y	97.5	Very high	96.7	Very high	38 Å²	38	40 Å²	40	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-36.2	176.7	-61.6	-48.4	0	0	0	112.5	P39 E217 A218 A219 R224 L225 V250	P39-Y221 VanDerWaalsContact CD-CD1 3.45Å; P39-Y221 VanDerWaalsContact CD-CZ 3.48Å; P39-Y221 HydrophobicContact CG-CD1 4.26Å; P39-Y221 HydrophobicContact CG-CD2 4.16Å; P39-Y221 HydrophobicContact CG-CE1 3.87Å; P39-Y221 HydrophobicContact CG-CE2 3.71Å; P39-Y221 HydrophobicContact CG-CG 4.41Å; E217-Y221 HydrophobicContact CG-CD2 4.12Å; E217-Y221 HydrophobicContact CG-CE2 3.47Å; E217-Y221 VanDerWaalsContact CG-CE2 3.47Å; E217-Y221 VanDerWaalsContact O-CD2 3.29Å; E217-Y221 WeakPolarHBondContact O-CD2 3.45Å; E217-Y221 PolarHBondContact O-N 3.02Å; A218-Y221 PolarHBondContact O-N 3.36Å; A218-Y221 VanDerWaalsContact O-N 3.14Å; A219-Y221 VanDerWaalsContact C-N 3.31Å; A219-Y221 PolarHBondContact O-N 3.38Å; Y221-R224 PolarHBondContact O-N 3.41Å; Y221-L225 VanDerWaalsContact O-CG 3.26Å; Y221-L225 WeakPolarHBondContact O-CG 3.19Å; Y221-L225 PolarHBondContact O-N 2.93Å; Y221-V250 HydrophobicContact CD2-CB 3.71Å; Y221-V250 HydrophobicContact CD2-CG1 3.89Å; Y221-V250 HydrophobicContact CD2-CG2 4.39Å; Y221-V250 HydrophobicContact CE2-CB 3.86Å; Y221-V250 HydrophobicContact CE2-CG1 4.48Å
222	I	98.2	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-43.5	173.4	-65.5	167.8	0	0	0	110.7	L153 M166 L198 A203 M206 A207 A218 A219 R224 L225 Y226	L153-I222 HydrophobicContact CD2-CG1 3.82Å; M166-I222 HydrophobicContact CE-CG2 4.3Å; M166-I222 HydrophobicContact SD-CG2 3.29Å; M166-I222 WeakPolarHBondContact SD-CG2 3.41Å; L198-I222 HydrophobicContact CD2-CG2 3.75Å; A203-I222 HydrophobicContact CB-CB 4.28Å; A203-I222 HydrophobicContact CB-CG2 4.1Å; M206-I222 HydrophobicContact CB-CD1 4.2Å; M206-I222 HydrophobicContact CG-CD1 4.12Å; A207-I222 HydrophobicContact CB-CD1 4.1Å; A218-I222 VanDerWaalsContact O-CG1 3.24Å; A218-I222 WeakPolarHBondContact O-CG1 3.33Å; A218-I222 PolarHBondContact O-N 3.27Å; A219-I222 PolarHBondContact O-N 2.99Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 3.09Å; I222-L225 PolarHBondContact O-N 3.31Å; I222-Y226 PolarHBondContact O-N 3.09Å
223	E	98.1	Very high	96.9	Very high	61 Å²	61	40.2 Å²	40.2	29%	0.285	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-41.7	173.9	-71.2	175.2	105.8	0	0	111.6	A203 A219 V220 Y226 K227	A203-E223 HydrophobicContact CB-CG 3.82Å; A219-E223 WeakPolarHBondContact O-CG 3.29Å; A219-E223 PolarHBondContact O-N 2.78Å; V220-E223 PolarHBondContact O-N 2.99Å; E223-Y226 PolarHBondContact O-N 2.89Å; E223-K227 PolarHBondContact O-N 3.27Å
224	R	98.1	Very high	97.1	Very high	73 Å²	73	35.9 Å²	35.9	28%	0.275	18%	0.181	S	C	.	.	H	α-helix	trans	-67.7	-39.1	176.1	-70.9	168.7	173.6	-160.4	-13.3	112.9	Y36 E37 I38 V220 Y221 I222 Y226 K227 L228	Y36-R224 WeakPolarHBondContact O-CD 3.49Å; E37-R224 PolarHBondContact O-NH1 3.46Å; E37-R224 IonicContact OE2-CZ 2.88Å; E37-R224 IonicContact OE2-NH1 2.67Å; E37-R224 IonicContact OE2-NH2 2.93Å; E37-R224 PolarHBondContact OE2-NH2 3.48Å; I38-R224 HydrophobicContact CD1-CB 3.89Å; I38-R224 HydrophobicContact CG1-CB 3.75Å; V220-R224 WeakPolarHBondContact O-CG 3.48Å; V220-R224 PolarHBondContact O-N 3.29Å; Y221-R224 PolarHBondContact O-N 3.41Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 3.09Å; R224-Y226 VanDerWaalsContact C-N 3.34Å; R224-K227 PolarHBondContact O-N 3.3Å; R224-L228 PolarHBondContact O-N 2.85Å
225	L	98.4	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-42.9	175.1	-71.9	166.8	0	0	0	110.7	L33 I38 L153 I155 Y221 I222 L228 F229 L237 I239	L33-L225 HydrophobicContact CD2-CD2 3.52Å; I38-L225 HydrophobicContact CD1-CD2 3.66Å; I38-L225 HydrophobicContact CD1-CG 3.93Å; I38-L225 HydrophobicContact CG2-CD2 4.36Å; L153-L225 HydrophobicContact CD2-CD1 3.55Å; I155-L225 HydrophobicContact CD1-CB 4.33Å; Y221-L225 VanDerWaalsContact O-CG 3.26Å; Y221-L225 WeakPolarHBondContact O-CG 3.19Å; Y221-L225 PolarHBondContact O-N 2.93Å; I222-L225 PolarHBondContact O-N 3.31Å; L225-L228 PolarHBondContact O-N 2.88Å; L225-F229 WeakPolarHBondContact O-CB 3.31Å; L225-F229 PolarHBondContact O-N 3.35Å; L225-L237 HydrophobicContact CB-CD1 4.19Å; L225-L237 HydrophobicContact CB-CD2 4.38Å; L225-L237 HydrophobicContact CD2-CD1 4Å; L225-L237 HydrophobicContact CD2-CD2 4.1Å; L225-L237 WeakPolarHBondContact O-CD1 3.44Å; L225-I239 HydrophobicContact CD1-CG1 4.25Å; L225-I239 HydrophobicContact CD2-CD1 4.09Å; L225-I239 HydrophobicContact CD2-CG1 4.07Å
226	Y	98.3	Very high	97.2	Very high	15 Å²	15	35 Å²	35	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-42.6	174	179.3	-102.3	0	0	0	112.1	I155 P164 I192 L198 I222 E223 R224 L228 F229 D230	I155-Y226 HydrophobicContact CD1-CD2 4.3Å; I155-Y226 HydrophobicContact CG2-CD2 4.41Å; P164-Y226 HydrophobicContact CB-CE2 4.14Å; P164-Y226 HydrophobicContact CG-CE2 4.13Å; I192-Y226 HydrophobicContact CB-CE2 4.31Å; I192-Y226 HydrophobicContact CD1-CD2 3.59Å; I192-Y226 HydrophobicContact CD1-CE2 3.71Å; I192-Y226 HydrophobicContact CD1-CG 4.43Å; I192-Y226 HydrophobicContact CG2-CE1 4.42Å; I192-Y226 HydrophobicContact CG2-CE2 3.73Å; L198-Y226 HydrophobicContact CB-CD1 3.45Å; L198-Y226 VanDerWaalsContact CB-CD1 3.45Å; L198-Y226 HydrophobicContact CB-CD2 4.15Å; L198-Y226 HydrophobicContact CB-CE1 3.98Å; L198-Y226 HydrophobicContact CB-CG 3.53Å; L198-Y226 HydrophobicContact CD2-CG 4.29Å; I222-Y226 PolarHBondContact O-N 3.09Å; E223-Y226 PolarHBondContact O-N 2.89Å; R224-Y226 VanDerWaalsContact C-N 3.34Å; Y226-L228 VanDerWaalsContact C-N 3.31Å; Y226-L228 PolarHBondContact O-N 3.16Å; Y226-F229 WeakPolarHBondContact O-CB 3.32Å; Y226-F229 PolarHBondContact O-N 3.17Å; Y226-F229 VanDerWaalsContact O-N 3.16Å; Y226-D230 WeakPolarHBondContact O-CB 3.21Å; Y226-D230 PolarHBondContact O-N 3.47Å
227	K	97.8	Very high	97.3	Very high	129 Å²	129	30.5 Å²	30.5	56%	0.561	15%	0.152	S	C	*	.	H	α-helix	trans	-58.9	-43	175.4	-169.5	-177.1	177	179.3	0	112	Y36 E223 R224 S231	Y36-K227 HydrophobicContact CD1-CD 4.46Å; Y36-K227 HydrophobicContact CD1-CG 4.45Å; Y36-K227 HydrophobicContact CE1-CB 4.45Å; Y36-K227 HydrophobicContact CE1-CD 4.34Å; Y36-K227 HydrophobicContact CE1-CG 4.08Å; E223-K227 PolarHBondContact O-N 3.27Å; R224-K227 PolarHBondContact O-N 3.3Å; K227-S231 WeakPolarHBondContact O-CB 3.42Å; K227-S231 PolarHBondContact O-N 2.89Å; K227-S231 PolarHBondContact O-OG 3.47Å
228	L	97.8	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-48.3	173.5	168.2	65.4	0	0	0	111.2	L32 L33 Y36 R224 L225 Y226 D230 S232 L237 L257	L32-L228 HydrophobicContact CB-CD1 4.15Å; L33-L228 HydrophobicContact CD2-CD2 3.66Å; Y36-L228 HydrophobicContact CD1-CB 3.98Å; Y36-L228 HydrophobicContact CD2-CB 4.07Å; Y36-L228 HydrophobicContact CD2-CD1 3.64Å; Y36-L228 HydrophobicContact CD2-CG 4.32Å; Y36-L228 HydrophobicContact CE1-CB 4.05Å; Y36-L228 HydrophobicContact CE2-CB 4.14Å; Y36-L228 HydrophobicContact CE2-CD1 3.31Å; Y36-L228 HydrophobicContact CE2-CG 4.28Å; Y36-L228 HydrophobicContact CG-CB 3.98Å; Y36-L228 HydrophobicContact CG-CD1 4.42Å; R224-L228 PolarHBondContact O-N 2.85Å; L225-L228 PolarHBondContact O-N 2.88Å; Y226-L228 VanDerWaalsContact C-N 3.31Å; Y226-L228 PolarHBondContact O-N 3.16Å; L228-D230 VanDerWaalsContact C-N 3.33Å; L228-D230 PolarHBondContact O-N 2.89Å; L228-S232 VanDerWaalsContact O-CB 3.26Å; L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 2.72Å; L228-L237 HydrophobicContact CD2-CD1 3.97Å; L228-L237 HydrophobicContact CG-CD1 4.32Å; L228-L257 HydrophobicContact CD2-CD1 4.47Å
229	F	98	Very high	97.4	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-55.6	-48.4	179.8	176.2	-86.5	0	0	0	112	I155 L157 P164 L225 Y226 C234 L237	I155-F229 HydrophobicContact CB-CD2 3.84Å; I155-F229 HydrophobicContact CB-CE2 4.16Å; I155-F229 HydrophobicContact CB-CG 4.15Å; I155-F229 HydrophobicContact CD1-CB 4.4Å; I155-F229 HydrophobicContact CG2-CB 4.37Å; I155-F229 HydrophobicContact CG2-CD1 3.8Å; I155-F229 HydrophobicContact CG2-CD2 3.7Å; I155-F229 HydrophobicContact CG2-CE1 3.92Å; I155-F229 HydrophobicContact CG2-CE2 3.82Å; I155-F229 HydrophobicContact CG2-CG 3.68Å; I155-F229 HydrophobicContact CG2-CZ 3.91Å; I155-F229 WeakPolarHBondContact O-CE2 3.28Å; L157-F229 HydrophobicContact CD2-CE1 3.85Å; L157-F229 HydrophobicContact CD2-CZ 3.74Å; L157-F229 HydrophobicContact CG-CE1 4.43Å; L157-F229 HydrophobicContact CG-CZ 3.85Å; P164-F229 HydrophobicContact CB-CE1 3.98Å; L225-F229 WeakPolarHBondContact O-CB 3.31Å; L225-F229 PolarHBondContact O-N 3.35Å; Y226-F229 WeakPolarHBondContact O-CB 3.32Å; Y226-F229 PolarHBondContact O-N 3.17Å; Y226-F229 VanDerWaalsContact O-N 3.16Å; F229-C234 HydrophobicContact CB-CB 4.3Å; F229-C234 HydrophobicContact CD2-CB 3.42Å; F229-C234 VanDerWaalsContact CD2-CB 3.42Å; F229-C234 HydrophobicContact CE2-CB 3.86Å; F229-C234 WeakPolarHBondContact CE2-O 3.41Å; F229-C234 HydrophobicContact CG-CB 3.93Å; F229-C234 VanDerWaalsContact CZ-O 3.26Å; F229-C234 WeakPolarHBondContact CZ-O 3.4Å; F229-C234 WeakPolarHBondContact O-CB 3.46Å; F229-C234 PolarHBondContact O-N 3.02Å; F229-L237 HydrophobicContact CB-CD1 4.3Å; F229-L237 HydrophobicContact CD2-CB 3.86Å
230	D	97	Very high	97.3	Very high	85 Å²	85	32.3 Å²	32.3	46%	0.455	16%	0.162	S	C	.	.	H	α-helix	trans	-70.4	-49.4	-179.1	-175.8	55.8	0	0	0	112.2	Y226 L228 S232 D233	Y226-D230 WeakPolarHBondContact O-CB 3.21Å; Y226-D230 PolarHBondContact O-N 3.47Å; L228-D230 VanDerWaalsContact C-N 3.33Å; L228-D230 PolarHBondContact O-N 2.89Å; D230-S232 VanDerWaalsContact C-N 3.29Å; D230-S232 PolarHBondContact O-N 2.95Å; D230-D233 PolarHBondContact O-N 3.1Å
231	S	96.7	Very high	97.1	Very high	54 Å²	54	30.4 Å²	30.4	38%	0.378	15%	0.151	S	C	.	.	H	α-helix	trans	-71.5	-22.1	-174.3	-60.2	0	0	0	0	113.9	Y36 K227 Q267	Y36-S231 VanDerWaalsContact OH-CB 3.23Å; Y36-S231 WeakPolarHBondContact OH-CB 3.46Å; K227-S231 WeakPolarHBondContact O-CB 3.42Å; K227-S231 PolarHBondContact O-N 2.89Å; K227-S231 PolarHBondContact O-OG 3.47Å; S231-Q267 PolarHBondContact O-NE2 2.88Å
232	S	96.6	Very high	97.1	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.042	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	8.1	-179	-66.6	0	0	0	0	113.9	L228 D230 C234 F259	L228-S232 VanDerWaalsContact O-CB 3.26Å; L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 2.72Å; D230-S232 VanDerWaalsContact C-N 3.29Å; D230-S232 PolarHBondContact O-N 2.95Å; S232-C234 VanDerWaalsContact C-N 3.31Å; S232-C234 PolarHBondContact O-N 2.86Å; S232-F259 VanDerWaalsContact O-CD1 3.24Å; S232-F259 WeakPolarHBondContact O-CD1 3.42Å
233	D	96.8	Very high	96.9	Very high	29 Å²	29	28.6 Å²	28.6	16%	0.155	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	42.8	-178	-67.8	-74.1	0	0	0	113	D230 F259 D260 A263 R266 Q267	D230-D233 PolarHBondContact O-N 3.1Å; D233-F259 WeakPolarHBondContact O-CA 3.38Å; D233-D260 PolarHBondContact O-N 2.9Å; D233-A263 HydrophobicContact CB-CB 3.37Å; D233-A263 WeakPolarHBondContact OD2-CB 3.23Å; D233-R266 IonicContact OD1-CZ 2.95Å; D233-R266 IonicContact OD1-NE 3.48Å; D233-R266 PolarHBondContact OD1-NE 2.99Å; D233-R266 IonicContact OD1-NH2 3.67Å; D233-R266 PolarHBondContact OD1-NH2 2.86Å; D233-R266 IonicContact OD2-CZ 3.73Å; D233-R266 IonicContact OD2-NE 2.72Å; D233-R266 PolarHBondContact OD2-NE 2.77Å; D233-R266 IonicContact OD2-NH2 3.57Å; D233-Q267 HydrophobicContact CB-CG 4.11Å; D233-Q267 WeakPolarHBondContact OD2-CG 3.41Å; D233-Q267 PolarHBondContact OD2-NE2 3.21Å
234	C	96.7	Very high	96.6	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.1	177.3	-64.5	0	0	0	0	110.9	F229 S232 N258 F259	F229-C234 HydrophobicContact CB-CB 4.3Å; F229-C234 HydrophobicContact CD2-CB 3.42Å; F229-C234 VanDerWaalsContact CD2-CB 3.42Å; F229-C234 HydrophobicContact CE2-CB 3.86Å; F229-C234 WeakPolarHBondContact CE2-O 3.41Å; F229-C234 HydrophobicContact CG-CB 3.93Å; F229-C234 VanDerWaalsContact CZ-O 3.26Å; F229-C234 WeakPolarHBondContact CZ-O 3.4Å; F229-C234 WeakPolarHBondContact O-CB 3.46Å; F229-C234 PolarHBondContact O-N 3.02Å; S232-C234 VanDerWaalsContact C-N 3.31Å; S232-C234 PolarHBondContact O-N 2.86Å; C234-N258 CarbonylContact C-O 3.57Å; C234-N258 VanDerWaalsContact CA-O 3.32Å; C234-N258 WeakPolarHBondContact CA-O 2.88Å; C234-F259 WeakPolarHBondContact SG-CE1 3.4Å
235	T	95.8	Very high	96.2	Very high	29 Å²	29	23.5 Å²	23.5	18%	0.178	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-25.4	165.9	55.8	0	0	0	0	111.9	T21 L157 N258 D260	T21-T235 HydrophobicContact CG2-CG2 4.12Å; T21-T235 WeakPolarHBondContact CG2-OG1 3.44Å; L157-T235 HydrophobicContact CD1-CG2 4.36Å; L157-T235 PolarHBondContact N-O 3.31Å; T235-N258 PolarHBondContact N-O 2.82Å; T235-N258 WeakPolarHBondContact OG1-CB 3.27Å; T235-N258 PolarHBondContact OG1-O 3.27Å; T235-D260 HydrophobicContact CG2-CB 3.86Å
236	L	96.2	Very high	95.5	Very high	29 Å²	29	27.2 Å²	27.2	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	130.8	174.7	172.6	67.9	0	0	0	108.6	V156 E238 K256 L257 N258	V156-L236 HydrophobicContact CG1-CD1 3.44Å; V156-L236 VanDerWaalsContact CG1-CD1 3.44Å; L236-E238 HydrophobicContact CD1-CB 4.07Å; L236-E238 HydrophobicContact CG-CB 4.31Å; L236-K256 HydrophobicContact CD2-CD 4.44Å; L236-L257 WeakPolarHBondContact O-CA 3.35Å; L236-N258 HydrophobicContact CB-CB 3.91Å; L236-N258 PolarHBondContact N-O 2.99Å; L236-N258 PolarHBondContact O-N 3.08Å
237	L	97.9	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.2	157.2	174.5	160.3	0	0	0	107.3	A154 I155 L225 L228 F229 I239 L257	A154-L237 CarbonylContact C-O 3.48Å; A154-L237 WeakPolarHBondContact CA-O 3.49Å; A154-L237 WeakPolarHBondContact CB-O 3.4Å; I155-L237 HydrophobicContact CB-CB 4.47Å; I155-L237 HydrophobicContact CG1-CD2 4.46Å; I155-L237 PolarHBondContact N-O 3.39Å; I155-L237 PolarHBondContact O-N 3.14Å; L225-L237 HydrophobicContact CB-CD1 4.19Å; L225-L237 HydrophobicContact CB-CD2 4.38Å; L225-L237 HydrophobicContact CD2-CD1 4Å; L225-L237 HydrophobicContact CD2-CD2 4.1Å; L225-L237 WeakPolarHBondContact O-CD1 3.44Å; L228-L237 HydrophobicContact CD2-CD1 3.97Å; L228-L237 HydrophobicContact CG-CD1 4.32Å; F229-L237 HydrophobicContact CB-CD1 4.3Å; F229-L237 HydrophobicContact CD2-CB 3.86Å; L237-I239 HydrophobicContact CD2-CD1 4.37Å; L237-I239 HydrophobicContact CD2-CG1 4Å; L237-L257 HydrophobicContact CB-CD2 3.71Å; L237-L257 HydrophobicContact CD1-CD2 3.93Å; L237-L257 HydrophobicContact CG-CD2 3.63Å
238	E	97.5	Very high	94.5	Very high	32 Å²	32	28.2 Å²	28.2	15%	0.15	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.7	179.9	171.1	177.2	-114.2	0	0	109.7	Y152 A154 L236 N240 C255 K256	Y152-E238 HydrophobicContact CE2-CG 3.85Å; Y152-E238 WeakPolarHBondContact CE2-OE1 3.49Å; Y152-E238 PolarHBondContact OH-OE1 2.9Å; A154-E238 HydrophobicContact CB-CB 4.26Å; L236-E238 HydrophobicContact CD1-CB 4.07Å; L236-E238 HydrophobicContact CG-CB 4.31Å; E238-N240 HydrophobicContact CG-CB 4.26Å; E238-C255 CarbonylContact O-C 3.58Å; E238-C255 WeakPolarHBondContact O-CA 3.48Å; E238-K256 HydrophobicContact CB-CB 4.29Å; E238-K256 PolarHBondContact N-O 2.83Å; E238-K256 PolarHBondContact O-N 3.24Å
239	I	97.3	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.7	172.9	-50.4	-62.6	0	0	0	107.4	L33 L153 L225 L237 I242 C252 D254 C255	L33-I239 HydrophobicContact CD1-CD1 4.02Å; L33-I239 HydrophobicContact CD2-CD1 4.4Å; L153-I239 PolarHBondContact N-O 3.48Å; L153-I239 VanDerWaalsContact N-O 3.16Å; L153-I239 PolarHBondContact O-N 3.03Å; L225-I239 HydrophobicContact CD1-CG1 4.25Å; L225-I239 HydrophobicContact CD2-CD1 4.09Å; L225-I239 HydrophobicContact CD2-CG1 4.07Å; L237-I239 HydrophobicContact CD2-CD1 4.37Å; L237-I239 HydrophobicContact CD2-CG1 4Å; I239-I242 HydrophobicContact CB-CB 4.22Å; I239-I242 HydrophobicContact CG2-CB 3.57Å; I239-I242 HydrophobicContact CG2-CG1 4.24Å; I239-C252 HydrophobicContact CD1-CB 4.32Å; I239-C252 HydrophobicContact CG2-CB 3.72Å; I239-D254 WeakPolarHBondContact CA-O 3.4Å; I239-D254 WeakPolarHBondContact CG2-O 3.2Å; I239-C255 HydrophobicContact CD1-CB 3.67Å; I239-C255 WeakPolarHBondContact CD1-SG 3.25Å
240	N	94.7	Very high	94	Very high	31 Å²	31	32.9 Å²	32.9	17%	0.166	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	93.7	-176.9	-170.4	11.2	0	0	0	112	Y152 G173 V174 E238 D254	Y152-N240 HydrophobicContact CD2-CB 3.82Å; Y152-N240 HydrophobicContact CE2-CB 4.04Å; G173-N240 WeakPolarHBondContact CA-OD1 3.26Å; G173-N240 PolarHBondContact N-OD1 3.44Å; V174-N240 PolarHBondContact O-ND2 3.11Å; E238-N240 HydrophobicContact CG-CB 4.26Å; N240-D254 WeakPolarHBondContact O-CB 3.39Å
241	P	94.3	Very high	93.9	Very high	15 Å²	15	29.4 Å²	29.4	10%	0.097	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-93.4	150.6	6.5	32.7	-30.7	0	0	0	114.7	E150 H151 M253	E150-P241 HydrophobicContact CB-CB 3.66Å; E150-P241 HydrophobicContact CB-CG 4.23Å; E150-P241 HydrophobicContact CG-CB 4.07Å; E150-P241 HydrophobicContact CG-CG 4.12Å; H151-P241 CarbonylContact O-C 3.6Å; H151-P241 VanDerWaalsContact O-CA 3.27Å; H151-P241 WeakPolarHBondContact O-CA 3.48Å; P241-M253 HydrophobicContact CG-CB 3.92Å; P241-M253 HydrophobicContact CG-CG 4.26Å; P241-M253 WeakPolarHBondContact O-CB 3.43Å; P241-M253 PolarHBondContact O-N 2.75Å
242	I	96.3	Very high	93.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.6	152.6	-170	175.8	0	0	0	107.2	H151 L153 F212 I239 V250	H151-I242 WeakPolarHBondContact CA-O 3.48Å; H151-I242 HydrophobicContact CB-CG2 3.86Å; H151-I242 WeakPolarHBondContact CB-O 3.44Å; H151-I242 PolarHBondContact N-O 2.91Å; H151-I242 PolarHBondContact O-N 3.23Å; L153-I242 HydrophobicContact CB-CG2 3.79Å; L153-I242 HydrophobicContact CD2-CD1 4.02Å; F212-I242 HydrophobicContact CZ-CD1 4.11Å; F212-I242 HydrophobicContact CZ-CG1 4Å; F212-I242 HydrophobicContact CZ-CG2 4.13Å; I239-I242 HydrophobicContact CB-CB 4.22Å; I239-I242 HydrophobicContact CG2-CB 3.57Å; I239-I242 HydrophobicContact CG2-CG1 4.24Å; I242-V250 HydrophobicContact CD1-CG1 3.98Å; I242-V250 HydrophobicContact CG1-CG1 4.01Å
243	S	94.6	Very high	93.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	160.5	-164.7	-62.3	0	0	0	0	112.6	S147 R149 V250 V251 M253	S147-S243 WeakPolarHBondContact OG-CB 3.21Å; S147-S243 PolarHBondContact OG-OG 2.84Å; R149-S243 VanDerWaalsContact O-CA 3.3Å; R149-S243 WeakPolarHBondContact O-CA 3.22Å; R149-S243 WeakPolarHBondContact O-CB 3.48Å; S243-V250 CarbonylContact O-C 3.56Å; S243-V250 WeakPolarHBondContact O-CA 3.22Å; S243-V251 PolarHBondContact N-O 2.75Å; S243-V251 PolarHBondContact O-N 3.42Å; S243-M253 WeakPolarHBondContact OG-CG 3.49Å
244	Q	92.4	Very high	93.6	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.2	165.9	-171.6	171	41.6	0	0	109.6	S147 R148 R149 F212 T213 G248 K249	S147-Q244 CarbonylContact C-O 3.56Å; R148-Q244 PolarHBondContact N-O 3.47Å; R149-Q244 PolarHBondContact O-N 3.42Å; F212-Q244 HydrophobicContact CD1-CB 4.2Å; F212-Q244 HydrophobicContact CE1-CB 4.27Å; T213-Q244 PolarHBondContact OG1-NE2 3.04Å; Q244-G248 VanDerWaalsContact NE2-CA 3.35Å; Q244-G248 PolarHBondContact NE2-O 2.89Å; Q244-K249 CarbonylContact C-O 3.58Å; Q244-K249 WeakPolarHBondContact CA-O 3.4Å
245	D	88.6	Confident	93.5	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.123	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	178.1	178.4	79.5	2.9	0	0	0	112.5	H247 G248 K249	D245-H247 PolarHBondContact O-N 3.29Å; D245-H247 VanDerWaalsContact OD1-C 3.3Å; D245-H247 VanDerWaalsContact OD1-CA 3.28Å; D245-H247 WeakPolarHBondContact OD1-CA 3.17Å; D245-H247 WeakPolarHBondContact OD1-CB 3.36Å; D245-H247 PolarHBondContact OD1-N 3.48Å; D245-H247 IonicContact OD2-CD2 3.67Å; D245-G248 PolarHBondContact O-N 3.31Å; D245-G248 PolarHBondContact OD1-N 3.37Å; D245-K249 PolarHBondContact N-O 2.91Å; D245-K249 WeakPolarHBondContact OD1-CB 3.45Å; D245-K249 PolarHBondContact OD1-N 3.03Å
246	I	85.3	Confident	93.5	Very high	77 Å²	77	29.3 Å²	29.3	40%	0.395	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.8	178.4	61.3	172.2	0	0	0	114.4	Y146 R148	Y146-I246 PolarHBondContact O-N 3.04Å; R148-I246 HydrophobicContact CG-CG2 4.16Å; R148-I246 PolarHBondContact NE-O 3.17Å; R148-I246 PolarHBondContact NH1-O 3.49Å; R148-I246 PolarHBondContact NH2-O 2.98Å; R148-I246 VanDerWaalsContact NH2-O 3.08Å
247	H	85.6	Confident	93.5	Very high	153 Å²	153	27.9 Å²	27.9	71%	0.708	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	2.1	177.6	-55.5	-64	0	0	0	112.5	D245 K249	D245-H247 PolarHBondContact O-N 3.29Å; D245-H247 VanDerWaalsContact OD1-C 3.3Å; D245-H247 VanDerWaalsContact OD1-CA 3.28Å; D245-H247 WeakPolarHBondContact OD1-CA 3.17Å; D245-H247 WeakPolarHBondContact OD1-CB 3.36Å; D245-H247 PolarHBondContact OD1-N 3.48Å; D245-H247 IonicContact OD2-CD2 3.67Å; H247-K249 VanDerWaalsContact C-N 3.32Å; H247-K249 HydrophobicContact CB-CG 4.49Å
248	G	87.7	Confident	93.4	Very high	12 Å²	12	28.9 Å²	28.9	12%	0.124	14%	0.144	C	C	.	.	S	Bend	trans	82.4	8.4	-178.9	0	0	0	0	0	114	Q244 D245	Q244-G248 VanDerWaalsContact NE2-CA 3.35Å; Q244-G248 PolarHBondContact NE2-O 2.89Å; D245-G248 PolarHBondContact O-N 3.31Å; D245-G248 PolarHBondContact OD1-N 3.37Å
249	K	92.2	Very high	93.3	Very high	104 Å²	104	27.3 Å²	27.3	45%	0.452	14%	0.136	S	C	.	.			trans	-80.7	142	177.7	-64.4	-67	179.6	-174.8	0	111.3	E217 Q244 D245 H247	E217-K249 WeakPolarHBondContact OE1-CD 3.3Å; E217-K249 IonicContact OE1-NZ 3.93Å; E217-K249 PolarHBondContact OE1-NZ 3.46Å; E217-K249 IonicContact OE2-NZ 3.28Å; E217-K249 PolarHBondContact OE2-NZ 2.85Å; Q244-K249 CarbonylContact C-O 3.58Å; Q244-K249 WeakPolarHBondContact CA-O 3.4Å; D245-K249 PolarHBondContact N-O 2.91Å; D245-K249 WeakPolarHBondContact OD1-CB 3.45Å; D245-K249 PolarHBondContact OD1-N 3.03Å; H247-K249 VanDerWaalsContact C-N 3.32Å; H247-K249 HydrophobicContact CB-CG 4.49Å
250	V	94.9	Very high	93.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.1	177.4	-177.5	0	0	0	0	108.6	P39 F212 E217 A218 Y221 I242 S243	P39-V250 WeakPolarHBondContact CG-O 3.4Å; F212-V250 HydrophobicContact CD1-CG2 3.79Å; F212-V250 HydrophobicContact CE1-CB 4.38Å; F212-V250 HydrophobicContact CE1-CG1 3.92Å; F212-V250 HydrophobicContact CE1-CG2 3.86Å; F212-V250 HydrophobicContact CG-CG2 4.49Å; F212-V250 HydrophobicContact CZ-CG1 4.11Å; E217-V250 HydrophobicContact CG-CG2 4.21Å; A218-V250 HydrophobicContact CB-CG2 3.92Å; Y221-V250 HydrophobicContact CD2-CB 3.71Å; Y221-V250 HydrophobicContact CD2-CG1 3.89Å; Y221-V250 HydrophobicContact CD2-CG2 4.39Å; Y221-V250 HydrophobicContact CE2-CB 3.86Å; Y221-V250 HydrophobicContact CE2-CG1 4.48Å; I242-V250 HydrophobicContact CD1-CG1 3.98Å; I242-V250 HydrophobicContact CG1-CG1 4.01Å; S243-V250 CarbonylContact O-C 3.56Å; S243-V250 WeakPolarHBondContact O-CA 3.22Å
251	V	94.8	Very high	93	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.3	179.5	-175.7	0	0	0	0	109.4	P41 S243 M253	P41-V251 HydrophobicContact CG-CG1 4.21Å; S243-V251 PolarHBondContact N-O 2.75Å; S243-V251 PolarHBondContact O-N 3.42Å; V251-M253 HydrophobicContact CB-SD 4.47Å; V251-M253 HydrophobicContact CG1-SD 3.96Å
252	C	96.2	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.1	172.6	-63.1	0	0	0	0	109.2	L33 I38 P39 V40 P41 I239	L33-C252 HydrophobicContact CD1-CB 4.02Å; I38-C252 HydrophobicContact CG2-CB 4.48Å; I38-C252 VanDerWaalsContact CG2-SG 3.57Å; P39-C252 PolarHBondContact O-N 3Å; V40-C252 HydrophobicContact CG1-CB 4.29Å; P41-C252 VanDerWaalsContact CD-O 3.24Å; P41-C252 WeakPolarHBondContact CD-O 3.36Å; I239-C252 HydrophobicContact CD1-CB 4.32Å; I239-C252 HydrophobicContact CG2-CB 3.72Å
253	M	93.2	Very high	92.9	Very high	27 Å²	27	34.4 Å²	34.4	13%	0.133	17%	0.174	C	C	.	.			trans	-86.7	-28.1	-170.4	-66.5	-62.3	-66.9	0	0	114	M30 P41 K82 K145 P241 S243 V251	M30-M253 VanDerWaalsContact CE-O 3.28Å; M30-M253 WeakPolarHBondContact CE-O 3.41Å; P41-M253 HydrophobicContact CG-CE 4.18Å; P41-M253 HydrophobicContact CG-SD 3.78Å; K82-M253 PolarHBondContact NZ-O 2.99Å; K145-M253 HydrophobicContact CB-CE 3.77Å; K145-M253 HydrophobicContact CB-SD 3.85Å; K145-M253 HydrophobicContact CG-CE 4.38Å; K145-M253 HydrophobicContact CG-SD 4.15Å; P241-M253 HydrophobicContact CG-CB 3.92Å; P241-M253 HydrophobicContact CG-CG 4.26Å; P241-M253 WeakPolarHBondContact O-CB 3.43Å; P241-M253 PolarHBondContact O-N 2.75Å; S243-M253 WeakPolarHBondContact OG-CG 3.49Å; V251-M253 HydrophobicContact CB-SD 4.47Å; V251-M253 HydrophobicContact CG1-SD 3.96Å
254	D	93.4	Very high	92.8	Very high	37 Å²	37	36.9 Å²	36.9	20%	0.198	19%	0.191	C	C	.	.			trans	-143.9	151.2	175.3	-164.6	-13.9	0	0	0	107.7	E26 R90 I239 N240	E26-D254 VanDerWaalsContact CD-OD1 3.25Å; E26-D254 WeakPolarHBondContact CG-OD1 3.42Å; R90-D254 IonicContact NH2-OD1 2.74Å; R90-D254 PolarHBondContact NH2-OD1 3.49Å; R90-D254 IonicContact NH2-OD2 2.74Å; R90-D254 PolarHBondContact NH2-OD2 3.07Å; I239-D254 WeakPolarHBondContact CA-O 3.4Å; I239-D254 WeakPolarHBondContact CG2-O 3.2Å; N240-D254 WeakPolarHBondContact O-CB 3.39Å
255	C	95.4	Very high	92.9	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.02	22%	0.219	C	C	.	.			trans	-145.2	129	177.5	-174.5	0	0	0	0	111	A29 L33 E238 I239	A29-C255 HydrophobicContact CB-CB 3.99Å; L33-C255 HydrophobicContact CD1-CB 3.62Å; L33-C255 HydrophobicContact CG-CB 4.46Å; E238-C255 CarbonylContact O-C 3.58Å; E238-C255 WeakPolarHBondContact O-CA 3.48Å; I239-C255 HydrophobicContact CD1-CB 3.67Å; I239-C255 WeakPolarHBondContact CD1-SG 3.25Å
256	K	95	Very high	93.3	Very high	53 Å²	53	49.3 Å²	49.3	23%	0.23	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.5	171.1	-173.1	178.1	-174.2	179	0	109.3	L236 E238	L236-K256 HydrophobicContact CD2-CD 4.44Å; E238-K256 HydrophobicContact CB-CB 4.29Å; E238-K256 PolarHBondContact N-O 2.83Å; E238-K256 PolarHBondContact O-N 3.24Å
257	L	96.4	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.1	176.6	-62.8	176.5	0	0	0	109.7	V24 A29 L32 L228 L236 L237 F259	V24-L257 HydrophobicContact CG2-CB 4.12Å; A29-L257 HydrophobicContact CB-CB 4.43Å; A29-L257 HydrophobicContact CB-CD1 3.76Å; A29-L257 HydrophobicContact CB-CG 3.86Å; L32-L257 HydrophobicContact CB-CD1 4.32Å; L32-L257 HydrophobicContact CD1-CD1 3.72Å; L228-L257 HydrophobicContact CD2-CD1 4.47Å; L236-L257 WeakPolarHBondContact O-CA 3.35Å; L237-L257 HydrophobicContact CB-CD2 3.71Å; L237-L257 HydrophobicContact CD1-CD2 3.93Å; L237-L257 HydrophobicContact CG-CD2 3.63Å; L257-F259 HydrophobicContact CB-CE1 4.46Å; L257-F259 HydrophobicContact CB-CE2 3.84Å; L257-F259 HydrophobicContact CB-CZ 3.69Å; L257-F259 HydrophobicContact CD1-CZ 3.81Å; L257-F259 HydrophobicContact CG-CZ 4.36Å
258	N	95.7	Very high	94.4	Very high	20 Å²	20	47.3 Å²	47.3	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.7	163.8	-56.3	-8.3	0	0	0	108.9	L22 C234 T235 L236	L22-N258 CarbonylContact O-C 3.47Å; L22-N258 VanDerWaalsContact O-CA 3.31Å; L22-N258 WeakPolarHBondContact O-CA 3.33Å; C234-N258 CarbonylContact C-O 3.57Å; C234-N258 VanDerWaalsContact CA-O 3.32Å; C234-N258 WeakPolarHBondContact CA-O 2.88Å; T235-N258 PolarHBondContact N-O 2.82Å; T235-N258 WeakPolarHBondContact OG1-CB 3.27Å; T235-N258 PolarHBondContact OG1-O 3.27Å; L236-N258 HydrophobicContact CB-CB 3.91Å; L236-N258 PolarHBondContact N-O 2.99Å; L236-N258 PolarHBondContact O-N 3.08Å
259	F	96.5	Very high	94.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	156.5	-178.5	-53.6	-84.4	0	0	0	111.7	T21 L22 V24 L32 S232 D233 C234 L257 D261 I270 F271	T21-F259 WeakPolarHBondContact CA-O 3.49Å; T21-F259 WeakPolarHBondContact CB-O 3.43Å; L22-F259 HydrophobicContact CB-CB 4.26Å; L22-F259 HydrophobicContact CB-CD2 4.44Å; L22-F259 HydrophobicContact CD2-CD2 4.18Å; L22-F259 HydrophobicContact CG-CD2 4.21Å; L22-F259 PolarHBondContact N-O 3.16Å; L22-F259 WeakPolarHBondContact O-CD2 3.41Å; L22-F259 PolarHBondContact O-N 2.95Å; V24-F259 HydrophobicContact CB-CE2 4.34Å; V24-F259 HydrophobicContact CG1-CD2 4.23Å; V24-F259 HydrophobicContact CG1-CE2 3.66Å; V24-F259 HydrophobicContact CG2-CE2 3.75Å; V24-F259 HydrophobicContact CG2-CZ 4.4Å; L32-F259 HydrophobicContact CD1-CE1 4.37Å; L32-F259 HydrophobicContact CD1-CZ 3.72Å; S232-F259 VanDerWaalsContact O-CD1 3.24Å; S232-F259 WeakPolarHBondContact O-CD1 3.42Å; D233-F259 WeakPolarHBondContact O-CA 3.38Å; C234-F259 WeakPolarHBondContact SG-CE1 3.4Å; L257-F259 HydrophobicContact CB-CE1 4.46Å; L257-F259 HydrophobicContact CB-CE2 3.84Å; L257-F259 HydrophobicContact CB-CZ 3.69Å; L257-F259 HydrophobicContact CD1-CZ 3.81Å; L257-F259 HydrophobicContact CG-CZ 4.36Å; F259-D261 PolarHBondContact O-N 3.4Å; F259-I270 HydrophobicContact CD1-CD1 4.22Å; F259-I270 HydrophobicContact CD1-CG2 3.99Å; F259-I270 HydrophobicContact CD2-CG2 3.62Å; F259-I270 HydrophobicContact CE1-CD1 3.82Å; F259-I270 HydrophobicContact CE1-CG2 3.9Å; F259-I270 HydrophobicContact CE2-CG2 3.55Å; F259-I270 HydrophobicContact CG-CG2 3.84Å; F259-I270 HydrophobicContact CZ-CD1 4.33Å; F259-I270 HydrophobicContact CZ-CG2 3.68Å; F259-F271 HydrophobicContact CB-CE2 4.44Å
260	D	94.9	Very high	94.9	Very high	44 Å²	44	49 Å²	49	24%	0.235	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	116.3	172.8	-177.2	8.5	0	0	0	110.3	D233 T235 N262 A263 F271	D233-D260 PolarHBondContact O-N 2.9Å; T235-D260 HydrophobicContact CG2-CB 3.86Å; D260-N262 PolarHBondContact O-N 2.92Å; D260-N262 VanDerWaalsContact O-N 3.16Å; D260-N262 WeakPolarHBondContact OD1-CB 3.33Å; D260-N262 PolarHBondContact OD1-N 3.34Å; D260-N262 PolarHBondContact OD1-ND2 2.92Å; D260-A263 HydrophobicContact CB-CB 4.38Å; D260-A263 WeakPolarHBondContact O-CB 3.16Å; D260-A263 PolarHBondContact O-N 2.89Å; D260-F271 WeakPolarHBondContact O-CZ 3.31Å
261	D	90.3	Very high	94.9	Very high	29 Å²	29	50.6 Å²	50.6	16%	0.155	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.4	176.1	-80	5.1	0	0	0	112.8	R20 L22 F259 A263 S264 F271	R20-D261 WeakPolarHBondContact CB-OD2 3.47Å; R20-D261 WeakPolarHBondContact O-CB 3.35Å; L22-D261 PolarHBondContact N-OD1 3.4Å; F259-D261 PolarHBondContact O-N 3.4Å; D261-A263 PolarHBondContact O-N 3.29Å; D261-S264 WeakPolarHBondContact O-CB 3.41Å; D261-S264 PolarHBondContact O-N 3.28Å; D261-S264 VanDerWaalsContact O-N 3.16Å; D261-S264 PolarHBondContact O-OG 2.94Å; D261-F271 HydrophobicContact CB-CE1 4.48Å
262	N	92.2	Very high	94.8	Very high	121 Å²	121	54 Å²	54	65%	0.647	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-68.4	-19.5	176.5	-61	-42	0	0	0	112.7	D260 S264 F265	D260-N262 PolarHBondContact O-N 2.92Å; D260-N262 VanDerWaalsContact O-N 3.16Å; D260-N262 WeakPolarHBondContact OD1-CB 3.33Å; D260-N262 PolarHBondContact OD1-N 3.34Å; D260-N262 PolarHBondContact OD1-ND2 2.92Å; N262-S264 VanDerWaalsContact C-N 3.33Å; N262-F265 WeakPolarHBondContact O-CD1 3.24Å; N262-F265 WeakPolarHBondContact O-CE1 3.26Å
263	A	95.1	Very high	94.7	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.008	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-88.5	1.9	176.2	0	0	0	0	0	113.5	D233 D260 D261 F265 R266 Q267	D233-A263 HydrophobicContact CB-CB 3.37Å; D233-A263 WeakPolarHBondContact OD2-CB 3.23Å; D260-A263 HydrophobicContact CB-CB 4.38Å; D260-A263 WeakPolarHBondContact O-CB 3.16Å; D260-A263 PolarHBondContact O-N 2.89Å; D261-A263 PolarHBondContact O-N 3.29Å; A263-F265 PolarHBondContact O-N 3.16Å; A263-R266 HydrophobicContact CB-CG 4.33Å; A263-R266 VanDerWaalsContact O-CG 3.28Å; A263-R266 WeakPolarHBondContact O-CG 3.42Å; A263-R266 PolarHBondContact O-N 3.39Å; A263-Q267 HydrophobicContact CB-CG 4.21Å; A263-Q267 PolarHBondContact O-N 3.48Å
264	S	93.1	Very high	94.7	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.1	-179.3	55.6	0	0	0	0	114.3	D261 N262 R266	D261-S264 WeakPolarHBondContact O-CB 3.41Å; D261-S264 PolarHBondContact O-N 3.28Å; D261-S264 VanDerWaalsContact O-N 3.16Å; D261-S264 PolarHBondContact O-OG 2.94Å; N262-S264 VanDerWaalsContact C-N 3.33Å; S264-R266 VanDerWaalsContact C-N 3.26Å; S264-R266 PolarHBondContact O-N 2.75Å
265	F	95	Very high	94.6	Very high	138 Å²	138	57.5 Å²	57.5	61%	0.605	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.6	178.7	70.1	-89	0	0	0	113.6	N262 A263	N262-F265 WeakPolarHBondContact O-CD1 3.24Å; N262-F265 WeakPolarHBondContact O-CE1 3.26Å; A263-F265 PolarHBondContact O-N 3.16Å
266	R	96.9	Very high	94.3	Very high	151 Å²	151	62.4 Å²	62.4	57%	0.57	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-18.1	179.9	62.4	177.7	180	-150	-2.6	114	D233 A263 S264	D233-R266 IonicContact OD1-CZ 2.95Å; D233-R266 IonicContact OD1-NE 3.48Å; D233-R266 PolarHBondContact OD1-NE 2.99Å; D233-R266 IonicContact OD1-NH2 3.67Å; D233-R266 PolarHBondContact OD1-NH2 2.86Å; D233-R266 IonicContact OD2-CZ 3.73Å; D233-R266 IonicContact OD2-NE 2.72Å; D233-R266 PolarHBondContact OD2-NE 2.77Å; D233-R266 IonicContact OD2-NH2 3.57Å; A263-R266 HydrophobicContact CB-CG 4.33Å; A263-R266 VanDerWaalsContact O-CG 3.28Å; A263-R266 WeakPolarHBondContact O-CG 3.42Å; A263-R266 PolarHBondContact O-N 3.39Å; S264-R266 VanDerWaalsContact C-N 3.26Å; S264-R266 PolarHBondContact O-N 2.75Å
267	Q	96.6	Very high	93.9	Very high	30 Å²	30	63 Å²	63	14%	0.14	31%	0.313	C	S	.	.			trans	-102.3	42.5	179.3	-62.6	-62.5	-12.6	0	0	113.2	S231 D233 A263 E269 I270 F271	S231-Q267 PolarHBondContact O-NE2 2.88Å; D233-Q267 HydrophobicContact CB-CG 4.11Å; D233-Q267 WeakPolarHBondContact OD2-CG 3.41Å; D233-Q267 PolarHBondContact OD2-NE2 3.21Å; A263-Q267 HydrophobicContact CB-CG 4.21Å; A263-Q267 PolarHBondContact O-N 3.48Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 3.45Å; Q267-E269 VanDerWaalsContact O-N 3.17Å; Q267-I270 HydrophobicContact CB-CB 4.37Å; Q267-I270 HydrophobicContact CB-CD1 4.45Å; Q267-I270 PolarHBondContact O-N 3.19Å; Q267-F271 HydrophobicContact CB-CD2 3.8Å; Q267-F271 HydrophobicContact CB-CE2 3.93Å; Q267-F271 WeakPolarHBondContact O-CD2 3.44Å; Q267-F271 PolarHBondContact O-N 3.2Å
268	K	96.4	Very high	93.5	Very high	157 Å²	157	63.8 Å²	63.8	68%	0.683	32%	0.317	S	S	*	.	H	α-helix	trans	-54.9	-40.4	-170.6	-65.1	-176.7	-178.4	178.4	0	114.3	I270 F271 A272	K268-I270 VanDerWaalsContact C-N 3.34Å; K268-I270 PolarHBondContact O-N 2.9Å; K268-F271 PolarHBondContact O-N 2.78Å; K268-A272 WeakPolarHBondContact O-CB 3.46Å; K268-A272 PolarHBondContact O-N 2.91Å
269	E	94.9	Very high	93	Very high	144 Å²	144	65.4 Å²	65.4	67%	0.673	32%	0.323	S	S	*	.	H	α-helix	trans	-65.9	-34.8	179.5	-67.9	-174	-173.7	0	0	113.1	K35 Q267 Q273	K35-E269 IonicContact NZ-OE2 3.34Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 3.45Å; Q267-E269 VanDerWaalsContact O-N 3.17Å; E269-Q273 PolarHBondContact O-NE2 3.47Å
270	I	95.7	Very high	92.2	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-74.5	-45.8	178.2	-62.1	178.3	0	0	0	109.1	L22 F259 Q267 K268 A272 Q273	L22-I270 HydrophobicContact CD2-CG2 3.9Å; F259-I270 HydrophobicContact CD1-CD1 4.22Å; F259-I270 HydrophobicContact CD1-CG2 3.99Å; F259-I270 HydrophobicContact CD2-CG2 3.62Å; F259-I270 HydrophobicContact CE1-CD1 3.82Å; F259-I270 HydrophobicContact CE1-CG2 3.9Å; F259-I270 HydrophobicContact CE2-CG2 3.55Å; F259-I270 HydrophobicContact CG-CG2 3.84Å; F259-I270 HydrophobicContact CZ-CD1 4.33Å; F259-I270 HydrophobicContact CZ-CG2 3.68Å; Q267-I270 HydrophobicContact CB-CB 4.37Å; Q267-I270 HydrophobicContact CB-CD1 4.45Å; Q267-I270 PolarHBondContact O-N 3.19Å; K268-I270 VanDerWaalsContact C-N 3.34Å; K268-I270 PolarHBondContact O-N 2.9Å; I270-A272 PolarHBondContact O-N 3.36Å; I270-Q273 WeakPolarHBondContact O-CB 3.32Å; I270-Q273 PolarHBondContact O-N 3.34Å
271	F	94.1	Very high	91.7	Very high	36 Å²	36	72.8 Å²	72.8	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-22.8	179.7	-81	-98.8	0	0	0	113.7	L22 F259 D260 D261 Q267 K268 Q273 R274	L22-F271 HydrophobicContact CB-CD1 4.44Å; L22-F271 HydrophobicContact CB-CE1 3.82Å; L22-F271 HydrophobicContact CB-CZ 3.97Å; L22-F271 HydrophobicContact CD2-CB 4.31Å; L22-F271 HydrophobicContact CD2-CD1 3.77Å; L22-F271 HydrophobicContact CD2-CD2 3.87Å; L22-F271 HydrophobicContact CD2-CE1 3.88Å; L22-F271 HydrophobicContact CD2-CE2 4.01Å; L22-F271 HydrophobicContact CD2-CG 3.75Å; L22-F271 HydrophobicContact CD2-CZ 3.99Å; L22-F271 HydrophobicContact CG-CE1 4.44Å; F259-F271 HydrophobicContact CB-CE2 4.44Å; D260-F271 WeakPolarHBondContact O-CZ 3.31Å; D261-F271 HydrophobicContact CB-CE1 4.48Å; Q267-F271 HydrophobicContact CB-CD2 3.8Å; Q267-F271 HydrophobicContact CB-CE2 3.93Å; Q267-F271 WeakPolarHBondContact O-CD2 3.44Å; Q267-F271 PolarHBondContact O-N 3.2Å; K268-F271 PolarHBondContact O-N 2.78Å; F271-Q273 PolarHBondContact O-N 2.86Å; F271-R274 WeakPolarHBondContact O-CB 3.47Å; F271-R274 PolarHBondContact O-N 2.87Å
272	A	94.6	Very high	91.3	Very high	85 Å²	85	73.8 Å²	73.8	70%	0.702	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	170.6	0	0	0	0	0	113.5	K268 I270 R274	K268-A272 WeakPolarHBondContact O-CB 3.46Å; K268-A272 PolarHBondContact O-N 2.91Å; I270-A272 PolarHBondContact O-N 3.36Å; A272-R274 VanDerWaalsContact C-N 3.33Å
273	Q	93.2	Very high	90.9	Very high	52 Å²	52	69.6 Å²	69.6	24%	0.243	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4.7	180	-58.3	176.4	42.8	0	0	113.4	S28 E269 I270 F271 D275	S28-Q273 PolarHBondContact OG-OE1 2.83Å; E269-Q273 PolarHBondContact O-NE2 3.47Å; I270-Q273 WeakPolarHBondContact O-CB 3.32Å; I270-Q273 PolarHBondContact O-N 3.34Å; F271-Q273 PolarHBondContact O-N 2.86Å; Q273-D275 PolarHBondContact O-N 3.12Å
274	R	92.5	Very high	90.4	Very high	43 Å²	43	70.1 Å²	70.1	16%	0.162	34%	0.341	C	S	.	.			trans	-61.1	123.3	179.6	-174	170.6	-175.4	169.1	-4.5	111.1	L22 F271 A272 W276 E279	L22-R274 HydrophobicContact CD1-CB 3.6Å; L22-R274 HydrophobicContact CD1-CG 3.6Å; F271-R274 WeakPolarHBondContact O-CB 3.47Å; F271-R274 PolarHBondContact O-N 2.87Å; A272-R274 VanDerWaalsContact C-N 3.33Å; R274-W276 HydrophobicContact CG-CD2 4.39Å; R274-W276 HydrophobicContact CG-CZ2 4.48Å; R274-W276 VanDerWaalsContact CZ-CH2 3.45Å; R274-W276 VanDerWaalsContact CZ-CZ3 3.41Å; R274-W276 PolarHBondContact O-N 3.06Å; R274-E279 IonicContact CZ-OE1 2.76Å; R274-E279 VanDerWaalsContact CZ-OE1 3.28Å; R274-E279 IonicContact CZ-OE2 2.75Å; R274-E279 IonicContact NE-OE1 2.75Å; R274-E279 PolarHBondContact NE-OE1 3.5Å; R274-E279 IonicContact NE-OE2 3.4Å; R274-E279 VanDerWaalsContact NH2-CD 3.28Å; R274-E279 IonicContact NH2-OE1 3.65Å; R274-E279 PolarHBondContact NH2-OE1 3.27Å; R274-E279 IonicContact NH2-OE2 3.77Å; R274-E279 PolarHBondContact NH2-OE2 3.27Å
275	D	91.7	Very high	90.2	Very high	42 Å²	42	72.6 Å²	72.6	23%	0.225	35%	0.345	C	S	.	.			trans	-96.5	94.9	177.2	-174.1	-0.7	0	0	0	111.3	H25 Q273 S277 Q278	H25-D275 IonicContact CD2-OD2 3.95Å; H25-D275 IonicContact CE1-OD2 2.72Å; H25-D275 IonicContact NE2-OD2 3.28Å; H25-D275 PolarHBondContact NE2-OD2 2.79Å; Q273-D275 PolarHBondContact O-N 3.12Å; D275-S277 VanDerWaalsContact CG-OG 3.25Å; D275-S277 PolarHBondContact O-N 3.3Å; D275-S277 VanDerWaalsContact OD1-CB 3.25Å; D275-S277 WeakPolarHBondContact OD1-CB 3.33Å; D275-S277 PolarHBondContact OD1-N 3.31Å; D275-S277 PolarHBondContact OD1-OG 3.16Å; D275-S277 PolarHBondContact OD2-OG 3.36Å; D275-Q278 HydrophobicContact CB-CG 4.18Å; D275-Q278 PolarHBondContact O-N 3.08Å; D275-Q278 VanDerWaalsContact OD2-CG 3.3Å; D275-Q278 WeakPolarHBondContact OD2-CG 3.08Å
276	W	88.4	Confident	89.9	Confident	105 Å²	105	66 Å²	66	40%	0.398	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-63.3	-18	177.3	-59.4	101.6	0	0	0	114	R274 Q278 E279 V284	R274-W276 HydrophobicContact CG-CD2 4.39Å; R274-W276 HydrophobicContact CG-CZ2 4.48Å; R274-W276 VanDerWaalsContact CZ-CH2 3.45Å; R274-W276 VanDerWaalsContact CZ-CZ3 3.41Å; R274-W276 PolarHBondContact O-N 3.06Å; W276-Q278 PolarHBondContact O-N 3.2Å; W276-E279 PolarHBondContact O-N 2.87Å; W276-V284 HydrophobicContact CB-CG1 4.47Å; W276-V284 HydrophobicContact CB-CG2 4.39Å; W276-V284 HydrophobicContact CD2-CG1 4.14Å; W276-V284 HydrophobicContact CE3-CB 4.14Å; W276-V284 HydrophobicContact CE3-CG1 3.67Å; W276-V284 HydrophobicContact CE3-CG2 3.68Å; W276-V284 HydrophobicContact CZ3-CG1 4.18Å; W276-V284 HydrophobicContact CZ3-CG2 4.37Å
277	S	88.1	Confident	89.3	Confident	65 Å²	65	60.6 Å²	60.6	46%	0.455	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-71.1	-14.3	178.6	76.2	0	0	0	0	113.4	D275	D275-S277 VanDerWaalsContact CG-OG 3.25Å; D275-S277 PolarHBondContact O-N 3.3Å; D275-S277 VanDerWaalsContact OD1-CB 3.25Å; D275-S277 WeakPolarHBondContact OD1-CB 3.33Å; D275-S277 PolarHBondContact OD1-N 3.31Å; D275-S277 PolarHBondContact OD1-OG 3.16Å; D275-S277 PolarHBondContact OD2-OG 3.36Å
278	Q	87.8	Confident	88.9	Confident	18 Å²	18	67 Å²	67	8%	0.084	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-98.8	-2.2	-177.8	-58	-65.3	-61.2	0	0	112.9	L86 Q134 L135 D275 W276	L86-Q278 HydrophobicContact CB-CB 4.41Å; L86-Q278 HydrophobicContact CD1-CB 3.51Å; L86-Q278 HydrophobicContact CD1-CG 4.08Å; L86-Q278 HydrophobicContact CG-CB 3.79Å; L86-Q278 HydrophobicContact CG-CG 3.95Å; Q134-Q278 PolarHBondContact NE2-O 3.33Å; L135-Q278 PolarHBondContact O-NE2 3Å; D275-Q278 HydrophobicContact CB-CG 4.18Å; D275-Q278 PolarHBondContact O-N 3.08Å; D275-Q278 VanDerWaalsContact OD2-CG 3.3Å; D275-Q278 WeakPolarHBondContact OD2-CG 3.08Å; W276-Q278 PolarHBondContact O-N 3.2Å
279	E	84	Confident	88.5	Confident	53 Å²	53	61 Å²	61	25%	0.248	31%	0.308	C	S	.	.	S	Bend	trans	-106.2	158	178.9	-63.6	-177.9	-157.9	0	0	110.6	R274 W276 E281 V284	R274-E279 IonicContact CZ-OE1 2.76Å; R274-E279 VanDerWaalsContact CZ-OE1 3.28Å; R274-E279 IonicContact CZ-OE2 2.75Å; R274-E279 IonicContact NE-OE1 2.75Å; R274-E279 PolarHBondContact NE-OE1 3.5Å; R274-E279 IonicContact NE-OE2 3.4Å; R274-E279 VanDerWaalsContact NH2-CD 3.28Å; R274-E279 IonicContact NH2-OE1 3.65Å; R274-E279 PolarHBondContact NH2-OE1 3.27Å; R274-E279 IonicContact NH2-OE2 3.77Å; R274-E279 PolarHBondContact NH2-OE2 3.27Å; W276-E279 PolarHBondContact O-N 2.87Å; E279-E281 PolarHBondContact O-N 2.94Å; E279-V284 HydrophobicContact CB-CG2 3.88Å
280	D	80.2	Confident	88.1	Confident	59 Å²	59	56.6 Å²	56.6	32%	0.316	30%	0.301	S	S	.	.			trans	-63.7	129.4	174.6	-173	-50	0	0	0	109.5	R282 D283 V284	D280-R282 PolarHBondContact O-N 3.41Å; D280-R282 VanDerWaalsContact O-N 3.08Å; D280-R282 VanDerWaalsContact OD1-CB 3.22Å; D280-R282 WeakPolarHBondContact OD1-CB 3.21Å; D280-R282 WeakPolarHBondContact OD1-CG 3.36Å; D280-R282 IonicContact OD1-CZ 3.39Å; D280-R282 PolarHBondContact OD1-N 3.3Å; D280-R282 IonicContact OD1-NE 3Å; D280-R282 PolarHBondContact OD1-NE 2.83Å; D280-R282 VanDerWaalsContact OD1-NE 3.09Å; D280-R282 IonicContact OD1-NH2 3.8Å; D280-R282 IonicContact OD2-CZ 3.63Å; D280-R282 IonicContact OD2-NE 3.24Å; D280-R282 PolarHBondContact OD2-NE 3.43Å; D280-R282 IonicContact OD2-NH2 3.6Å; D280-R282 PolarHBondContact OD2-NH2 3.2Å; D280-D283 HydrophobicContact CB-CB 4.2Å; D280-D283 WeakPolarHBondContact O-CA 3.33Å; D280-D283 WeakPolarHBondContact O-CB 3.37Å; D280-D283 PolarHBondContact O-N 3.21Å; D280-V284 WeakPolarHBondContact O-CG2 3.4Å; D280-V284 PolarHBondContact O-N 3.26Å
281	E	84.6	Confident	87.8	Confident	141 Å²	141	56.2 Å²	56.2	66%	0.659	30%	0.299	S	S	*	.	H	α-helix	trans	-55.3	-30.9	-178.7	-66.3	-174.1	-177.8	0	0	113.1	E279 V284 K285	E279-E281 PolarHBondContact O-N 2.94Å; E281-V284 PolarHBondContact O-N 3.45Å; E281-K285 WeakPolarHBondContact O-CG 3.35Å; E281-K285 PolarHBondContact O-N 3.18Å
282	R	83	Confident	87.6	Confident	50 Å²	50	57.6 Å²	57.6	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-42.4	175.8	-59.5	172.6	-69.7	179.3	-1.3	110.8	D280 V284 K285 A286 Y293 L345 D349	D280-R282 PolarHBondContact O-N 3.41Å; D280-R282 VanDerWaalsContact O-N 3.08Å; D280-R282 VanDerWaalsContact OD1-CB 3.22Å; D280-R282 WeakPolarHBondContact OD1-CB 3.21Å; D280-R282 WeakPolarHBondContact OD1-CG 3.36Å; D280-R282 IonicContact OD1-CZ 3.39Å; D280-R282 PolarHBondContact OD1-N 3.3Å; D280-R282 IonicContact OD1-NE 3Å; D280-R282 PolarHBondContact OD1-NE 2.83Å; D280-R282 VanDerWaalsContact OD1-NE 3.09Å; D280-R282 IonicContact OD1-NH2 3.8Å; D280-R282 IonicContact OD2-CZ 3.63Å; D280-R282 IonicContact OD2-NE 3.24Å; D280-R282 PolarHBondContact OD2-NE 3.43Å; D280-R282 IonicContact OD2-NH2 3.6Å; D280-R282 PolarHBondContact OD2-NH2 3.2Å; R282-V284 VanDerWaalsContact C-N 3.3Å; R282-V284 PolarHBondContact O-N 3.27Å; R282-K285 PolarHBondContact O-N 2.89Å; R282-A286 VanDerWaalsContact O-CB 3.27Å; R282-A286 WeakPolarHBondContact O-CB 3.3Å; R282-A286 PolarHBondContact O-N 2.85Å; R282-Y293 HydrophobicContact CB-CD1 3.96Å; R282-Y293 HydrophobicContact CB-CE1 3.43Å; R282-Y293 VanDerWaalsContact CB-CE1 3.43Å; R282-Y293 HydrophobicContact CG-CE1 4.4Å; R282-L345 HydrophobicContact CB-CD2 4.43Å; R282-L345 WeakPolarHBondContact O-CD2 3.28Å; R282-D349 IonicContact NH1-OD2 3.86Å; R282-D349 PolarHBondContact NH1-OD2 3.36Å
283	D	83.2	Confident	87.4	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.171	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-39.9	174.7	-66.5	8.2	0	0	0	110.7	D280 A286 S287 Y293 I294 G295	D280-D283 HydrophobicContact CB-CB 4.2Å; D280-D283 WeakPolarHBondContact O-CA 3.33Å; D280-D283 WeakPolarHBondContact O-CB 3.37Å; D280-D283 PolarHBondContact O-N 3.21Å; D283-A286 PolarHBondContact O-N 3.07Å; D283-S287 WeakPolarHBondContact O-CB 3.42Å; D283-S287 PolarHBondContact O-N 3.42Å; D283-Y293 WeakPolarHBondContact OD1-CD1 3.49Å; D283-I294 WeakPolarHBondContact OD1-CA 3.29Å; D283-G295 PolarHBondContact OD1-N 3.44Å
284	V	85.3	Confident	87.2	Confident	13 Å²	13	53.7 Å²	53.7	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-48.5	176.6	-180	0	0	0	0	111.6	W276 E279 D280 E281 R282 A286 S287 K288	W276-V284 HydrophobicContact CB-CG1 4.47Å; W276-V284 HydrophobicContact CB-CG2 4.39Å; W276-V284 HydrophobicContact CD2-CG1 4.14Å; W276-V284 HydrophobicContact CE3-CB 4.14Å; W276-V284 HydrophobicContact CE3-CG1 3.67Å; W276-V284 HydrophobicContact CE3-CG2 3.68Å; W276-V284 HydrophobicContact CZ3-CG1 4.18Å; W276-V284 HydrophobicContact CZ3-CG2 4.37Å; E279-V284 HydrophobicContact CB-CG2 3.88Å; D280-V284 WeakPolarHBondContact O-CG2 3.4Å; D280-V284 PolarHBondContact O-N 3.26Å; E281-V284 PolarHBondContact O-N 3.45Å; R282-V284 VanDerWaalsContact C-N 3.3Å; R282-V284 PolarHBondContact O-N 3.27Å; V284-A286 VanDerWaalsContact C-N 3.33Å; V284-A286 PolarHBondContact O-N 2.86Å; V284-S287 PolarHBondContact O-N 3.39Å; V284-K288 WeakPolarHBondContact O-CG 3.43Å; V284-K288 PolarHBondContact O-N 3.19Å; V284-K288 VanDerWaalsContact O-N 3.1Å
285	K	88.3	Confident	87	Confident	104 Å²	104	52.5 Å²	52.5	45%	0.452	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-43.9	176.7	-74.1	171	-173.2	167	0	110.9	E281 R282 S287 K288 A289 L345	E281-K285 WeakPolarHBondContact O-CG 3.35Å; E281-K285 PolarHBondContact O-N 3.18Å; R282-K285 PolarHBondContact O-N 2.89Å; K285-S287 PolarHBondContact O-N 2.88Å; K285-K288 PolarHBondContact O-N 2.96Å; K285-A289 PolarHBondContact O-N 2.83Å; K285-L345 HydrophobicContact CB-CD2 3.69Å
286	A	87.8	Confident	87	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-46.1	174.9	0	0	0	0	0	112.3	R282 D283 V284 K288 A289 G290 L291 Y293 L345	R282-A286 VanDerWaalsContact O-CB 3.27Å; R282-A286 WeakPolarHBondContact O-CB 3.3Å; R282-A286 PolarHBondContact O-N 2.85Å; D283-A286 PolarHBondContact O-N 3.07Å; V284-A286 VanDerWaalsContact C-N 3.33Å; V284-A286 PolarHBondContact O-N 2.86Å; A286-K288 VanDerWaalsContact C-N 3.27Å; A286-K288 PolarHBondContact O-N 3.43Å; A286-A289 CarbonylContact O-C 3.57Å; A286-A289 WeakPolarHBondContact O-CA 3.32Å; A286-A289 PolarHBondContact O-N 2.8Å; A286-G290 PolarHBondContact O-N 2.72Å; A286-G290 VanDerWaalsContact O-N 3.13Å; A286-L291 CarbonylContact C-O 3.58Å; A286-L291 HydrophobicContact CB-CB 4.03Å; A286-L291 PolarHBondContact O-N 3.02Å; A286-Y293 HydrophobicContact CB-CG 4.14Å; A286-L345 HydrophobicContact CB-CD1 3.64Å
287	S	85.8	Confident	86.9	Confident	36 Å²	36	55 Å²	55	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-37.2	177.9	-169.8	0	0	0	0	112.3	D283 V284 K285 A289 G290	D283-S287 WeakPolarHBondContact O-CB 3.42Å; D283-S287 PolarHBondContact O-N 3.42Å; V284-S287 PolarHBondContact O-N 3.39Å; K285-S287 PolarHBondContact O-N 2.88Å; S287-A289 VanDerWaalsContact C-N 3.3Å; S287-A289 PolarHBondContact O-N 3.16Å; S287-G290 PolarHBondContact O-N 3.05Å
288	K	87.6	Confident	87.2	Confident	166 Å²	166	52.1 Å²	52.1	72%	0.722	28%	0.279	S	S	*	.	H	α-helix	trans	-67.5	-29.5	175.3	-69.9	175	-178.9	176.6	0	112.9	V284 K285 A286 G290	V284-K288 WeakPolarHBondContact O-CG 3.43Å; V284-K288 PolarHBondContact O-N 3.19Å; V284-K288 VanDerWaalsContact O-N 3.1Å; K285-K288 PolarHBondContact O-N 2.96Å; A286-K288 VanDerWaalsContact C-N 3.27Å; A286-K288 PolarHBondContact O-N 3.43Å; K288-G290 VanDerWaalsContact C-N 3.31Å
289	A	87.9	Confident	87.6	Confident	29 Å²	29	52.7 Å²	52.7	24%	0.24	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.1	174.9	0	0	0	0	0	113.8	K285 A286 S287 L291 Q338 E341	K285-A289 PolarHBondContact O-N 2.83Å; A286-A289 CarbonylContact O-C 3.57Å; A286-A289 WeakPolarHBondContact O-CA 3.32Å; A286-A289 PolarHBondContact O-N 2.8Å; S287-A289 VanDerWaalsContact C-N 3.3Å; S287-A289 PolarHBondContact O-N 3.16Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L291 HydrophobicContact CB-CD1 4.05Å; A289-L291 HydrophobicContact CB-CG 4.12Å; A289-Q338 PolarHBondContact O-NE2 3.34Å; A289-E341 HydrophobicContact CB-CB 4.27Å; A289-E341 HydrophobicContact CB-CG 3.67Å
290	G	86.8	Confident	88.3	Confident	52 Å²	52	50.2 Å²	50.2	54%	0.536	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	29.4	-175.2	0	0	0	0	0	113.6	A286 S287 K288	A286-G290 PolarHBondContact O-N 2.72Å; A286-G290 VanDerWaalsContact O-N 3.13Å; S287-G290 PolarHBondContact O-N 3.05Å; K288-G290 VanDerWaalsContact C-N 3.31Å
291	L	89.4	Confident	89.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.			trans	-106.5	140.2	179.8	-64	174	0	0	0	111.4	A286 A289 Y293 V330 Q338 E341 A342 L345	A286-L291 CarbonylContact C-O 3.58Å; A286-L291 HydrophobicContact CB-CB 4.03Å; A286-L291 PolarHBondContact O-N 3.02Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L291 HydrophobicContact CB-CD1 4.05Å; A289-L291 HydrophobicContact CB-CG 4.12Å; L291-Y293 PolarHBondContact O-N 3.18Å; L291-V330 HydrophobicContact CD2-CB 4.18Å; L291-V330 HydrophobicContact CD2-CG1 3.9Å; L291-Q338 HydrophobicContact CD2-CB 4.2Å; L291-E341 HydrophobicContact CD1-CB 4.4Å; L291-A342 HydrophobicContact CD1-CB 3.96Å; L291-L345 HydrophobicContact CD1-CD1 3.84Å
292	N	89	Confident	89.7	Confident	65 Å²	65	40.7 Å²	40.7	35%	0.348	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	92.5	172.4	-67.6	-40.7	0	0	0	109.1	F327 L328 D329	N292-F327 HydrophobicContact CB-CE1 4.28Å; N292-L328 CarbonylContact O-C 3.6Å; N292-L328 VanDerWaalsContact O-CA 3.27Å; N292-L328 WeakPolarHBondContact O-CA 3.39Å; N292-D329 HydrophobicContact CB-CB 4.09Å; N292-D329 PolarHBondContact N-O 3.35Å; N292-D329 PolarHBondContact O-N 2.96Å
293	Y	91.2	Very high	90.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144	179.6	-177.3	-92.7	0	0	0	110.6	R20 R282 D283 A286 L291 N326 F327 L328 L345	R20-Y293 PolarHBondContact NH2-O 3.36Å; R20-Y293 VanDerWaalsContact NH2-O 3.09Å; R282-Y293 HydrophobicContact CB-CD1 3.96Å; R282-Y293 HydrophobicContact CB-CE1 3.43Å; R282-Y293 VanDerWaalsContact CB-CE1 3.43Å; R282-Y293 HydrophobicContact CG-CE1 4.4Å; D283-Y293 WeakPolarHBondContact OD1-CD1 3.49Å; A286-Y293 HydrophobicContact CB-CG 4.14Å; L291-Y293 PolarHBondContact O-N 3.18Å; Y293-N326 HydrophobicContact CD2-CB 4.23Å; Y293-N326 HydrophobicContact CE2-CB 3.45Å; Y293-N326 VanDerWaalsContact CE2-CB 3.45Å; Y293-F327 WeakPolarHBondContact CA-O 3.31Å; Y293-L328 HydrophobicContact CD2-CB 4.12Å; Y293-L328 HydrophobicContact CD2-CD1 3.82Å; Y293-L328 HydrophobicContact CD2-CG 4.09Å; Y293-L328 HydrophobicContact CE2-CD1 4.44Å; Y293-L345 HydrophobicContact CE2-CB 4.46Å
294	I	89.5	Confident	90.9	Very high	52 Å²	52	36.8 Å²	36.8	27%	0.267	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	121.7	166.7	-56.8	174.6	0	0	0	107.3	D283 L296 N326 F327	D283-I294 WeakPolarHBondContact OD1-CA 3.29Å; I294-L296 HydrophobicContact CG2-CD2 4.46Å; I294-N326 CarbonylContact O-C 3.5Å; I294-N326 VanDerWaalsContact O-CA 3.28Å; I294-N326 WeakPolarHBondContact O-CA 3.45Å; I294-N326 WeakPolarHBondContact O-CB 3.48Å; I294-F327 HydrophobicContact CB-CB 4.2Å; I294-F327 HydrophobicContact CD1-CD1 4.42Å; I294-F327 HydrophobicContact CG1-CD1 4.36Å; I294-F327 PolarHBondContact N-O 3.34Å; I294-F327 PolarHBondContact O-N 3.31Å
295	G	87.8	Confident	91.2	Very high	19 Å²	19	37 Å²	37	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.8	173.1	0	0	0	0	0	112.6	D283	D283-G295 PolarHBondContact OD1-N 3.44Å
296	L	90.8	Very high	91.2	Very high	60 Å²	60	33.4 Å²	33.4	31%	0.314	20%	0.201	S	C	.	.			trans	-126.2	178.7	174.3	-55.6	174.7	0	0	0	109.7	I294 M314 P324 A325	I294-L296 HydrophobicContact CG2-CD2 4.46Å; L296-M314 HydrophobicContact CD1-SD 3.62Å; L296-P324 WeakPolarHBondContact CB-O 3.29Å; L296-P324 HydrophobicContact CD1-CB 4.34Å; L296-P324 HydrophobicContact CD1-CG 4.27Å; L296-A325 CarbonylContact C-O 3.57Å; L296-A325 WeakPolarHBondContact CA-O 3.49Å; L296-A325 PolarHBondContact N-O 3.13Å; L296-A325 VanDerWaalsContact O-O 3.1Å
297	D	87.7	Confident	91.4	Very high	140 Å²	140	35.1 Å²	35.1	75%	0.749	22%	0.216	S	C	*	.	S	Bend	trans	-91.7	-2.1	-174.2	-68.5	-48.4	0	0	0	115.2	K351	D297-K351 IonicContact OD1-NZ 2.84Å
298	G	93.7	Very high	91.7	Very high	4 Å²	4	35.8 Å²	35.8	4%	0.041	23%	0.228	C	C	.	.			trans	-76.7	-168	-175.7	0	0	0	0	0	115.4	S323 P324 A325	G298-S323 CarbonylContact C-O 3.51Å; G298-S323 WeakPolarHBondContact CA-O 3.34Å; G298-S323 WeakPolarHBondContact CA-OG 3.43Å; G298-P324 VanDerWaalsContact CA-O 3.3Å; G298-P324 WeakPolarHBondContact CA-O 3.16Å; G298-P324 PolarHBondContact N-O 2.61Å; G298-A325 WeakPolarHBondContact O-CB 3.33Å
299	N	96.3	Very high	92	Very high	30 Å²	30	30 Å²	30	16%	0.16	21%	0.205	C	C	.	.	S	Bend	trans	-129.4	2.6	-174.5	65.8	1.2	0	0	0	113.8	S323 K351 V352 N353 A354	N299-S323 PolarHBondContact N-O 3.27Å; N299-S323 PolarHBondContact OD1-O 2.75Å; N299-K351 WeakPolarHBondContact CA-O 3.5Å; N299-K351 WeakPolarHBondContact CB-O 3.49Å; N299-V352 WeakPolarHBondContact O-CA 3.5Å; N299-N353 HydrophobicContact CB-CB 4.4Å; N299-N353 PolarHBondContact ND2-ND2 3.23Å; N299-N353 PolarHBondContact O-N 3Å; N299-A354 PolarHBondContact O-N 3.38Å
300	I	98.1	Very high	92.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.4	175.2	-63.8	162.3	0	0	0	108.9	I317 S323 P324 A325 A354 L356 V423 A426	I300-I317 HydrophobicContact CB-CD1 4.42Å; I300-I317 HydrophobicContact CB-CG2 4.31Å; I300-I317 HydrophobicContact CD1-CG2 3.6Å; I300-I317 HydrophobicContact CG2-CD1 3.68Å; I300-I317 HydrophobicContact CG2-CG1 4.35Å; I300-I317 HydrophobicContact CG2-CG2 4.48Å; I300-S323 PolarHBondContact N-O 3.24Å; I300-P324 CarbonylContact O-C 3.55Å; I300-P324 WeakPolarHBondContact O-CA 3.35Å; I300-A325 PolarHBondContact O-N 2.92Å; I300-A354 CarbonylContact C-O 3.55Å; I300-A354 WeakPolarHBondContact CA-O 3.36Å; I300-L356 HydrophobicContact CG2-CB 4.39Å; I300-V423 HydrophobicContact CD1-CB 4.42Å; I300-V423 HydrophobicContact CD1-CG2 3.86Å; I300-A426 HydrophobicContact CD1-CB 3.98Å; I300-A426 HydrophobicContact CG1-CB 3.62Å
301	G	97.5	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.3	176.6	0	0	0	0	0	111.3	N326 A354 I355 L356	G301-N326 WeakPolarHBondContact CA-OD1 3.39Å; G301-A354 PolarHBondContact N-O 3.3Å; G301-I355 CarbonylContact O-C 3.59Å; G301-I355 WeakPolarHBondContact O-CA 3.37Å; G301-L356 PolarHBondContact O-N 2.91Å
302	C	97.2	Very high	93.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.4	178.6	-63.7	0	0	0	0	110.4	I317 N326 L328 I346 L356	C302-I317 WeakPolarHBondContact SG-CD1 3.34Å; C302-N326 PolarHBondContact N-OD1 3.31Å; C302-N326 PolarHBondContact O-ND2 3.46Å; C302-L328 VanDerWaalsContact O-CB 3.31Å; C302-L328 WeakPolarHBondContact O-CB 3.3Å; C302-I346 WeakPolarHBondContact O-CD1 3.37Å; C302-L356 WeakPolarHBondContact CA-O 3.27Å
303	L	96	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	111.3	169.6	-168.9	169.9	0	0	0	108.5	L328 V330 V339 A342 F343 I346 L356 V357 N358 I359	L303-L328 HydrophobicContact CG-CD2 4.22Å; L303-V330 HydrophobicContact CD2-CG1 3.66Å; L303-V330 HydrophobicContact CD2-CG2 4.22Å; L303-V330 HydrophobicContact CG-CG1 4.06Å; L303-V339 HydrophobicContact CD1-CG1 4.37Å; L303-A342 HydrophobicContact CD1-CB 3.67Å; L303-A342 HydrophobicContact CG-CB 4.11Å; L303-F343 HydrophobicContact CD1-CD2 4.12Å; L303-F343 HydrophobicContact CD1-CE2 3.99Å; L303-F343 HydrophobicContact CD1-CZ 4.34Å; L303-I346 HydrophobicContact CB-CD1 3.99Å; L303-L356 PolarHBondContact N-O 3.25Å; L303-V357 HydrophobicContact CB-CG2 4.27Å; L303-V357 HydrophobicContact CD2-CG1 4.24Å; L303-V357 CarbonylContact O-C 3.58Å; L303-V357 WeakPolarHBondContact O-CA 3.42Å; L303-N358 PolarHBondContact O-N 3.47Å; L303-I359 HydrophobicContact CD2-CD1 4.09Å; L303-I359 HydrophobicContact CD2-CG1 4.49Å
304	V	94.8	Very high	93.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.6	-171.1	-174.6	0	0	0	0	110.3	L309 A310 T313 L328 D329 V330 N358	V304-L309 HydrophobicContact CG1-CB 3.77Å; V304-L309 HydrophobicContact CG1-CD2 3.81Å; V304-L309 HydrophobicContact CG1-CG 3.57Å; V304-A310 HydrophobicContact CB-CB 3.83Å; V304-A310 HydrophobicContact CG1-CB 4.05Å; V304-A310 HydrophobicContact CG2-CB 4.36Å; V304-T313 HydrophobicContact CG2-CG2 4.07Å; V304-L328 PolarHBondContact N-O 2.91Å; V304-L328 VanDerWaalsContact N-O 3.17Å; V304-D329 VanDerWaalsContact O-CA 3.31Å; V304-D329 WeakPolarHBondContact O-CA 3.33Å; V304-V330 WeakPolarHBondContact O-CG2 3.44Å; V304-V330 PolarHBondContact O-N 2.82Å; V304-N358 WeakPolarHBondContact CA-O 3.38Å; V304-N358 WeakPolarHBondContact CG1-O 3.16Å; V304-N358 HydrophobicContact CG2-CB 4.15Å
305	N	91.6	Very high	94.2	Very high	16 Å²	16	30.7 Å²	30.7	9%	0.086	20%	0.198	C	C	.	.	S	Bend	trans	-103.2	124.6	168.2	71.8	-36.5	0	0	0	111.6	V330 G331 I359 F360	N305-V330 HydrophobicContact CB-CG2 3.83Å; N305-G331 WeakPolarHBondContact CB-O 3.32Å; N305-I359 VanDerWaalsContact OD1-CA 3.29Å; N305-I359 WeakPolarHBondContact OD1-CA 3.41Å; N305-F360 PolarHBondContact ND2-O 2.87Å; N305-F360 PolarHBondContact OD1-N 3.46Å
306	G	89.6	Confident	94.6	Very high	29 Å²	29	31.3 Å²	31.3	30%	0.299	20%	0.196	S	C	.	.	S	Bend	trans	91.5	121.5	-176	0	0	0	0	0	113.1	G308 L309 A310 D329	G306-G308 VanDerWaalsContact C-N 3.3Å; G306-G308 PolarHBondContact O-N 2.97Å; G306-L309 PolarHBondContact O-N 2.81Å; G306-A310 PolarHBondContact O-N 3.26Å; G306-D329 WeakPolarHBondContact CA-OD1 3.45Å; G306-D329 PolarHBondContact N-OD1 2.92Å
307	A	90.6	Very high	94.9	Very high	37 Å²	37	28.4 Å²	28.4	31%	0.306	18%	0.181	S	C	.	.	H	α-helix	trans	-52.2	-40.2	-178.6	0	0	0	0	0	114.9	A310 M311 F327 D329	A307-A310 PolarHBondContact O-N 3.21Å; A307-M311 PolarHBondContact O-N 2.92Å; A307-F327 HydrophobicContact CB-CZ 3.94Å; A307-D329 PolarHBondContact N-OD2 3.12Å
308	G	93	Very high	95.4	Very high	49 Å²	49	26.5 Å²	26.5	51%	0.505	17%	0.167	S	C	.	.	H	α-helix	trans	-65	-41.1	178	0	0	0	0	0	113	G306 A312	G306-G308 VanDerWaalsContact C-N 3.3Å; G306-G308 PolarHBondContact O-N 2.97Å; G308-A312 WeakPolarHBondContact O-CB 3.41Å; G308-A312 PolarHBondContact O-N 2.88Å
309	L	94.2	Very high	95.5	Very high	45 Å²	45	32.7 Å²	32.7	24%	0.236	20%	0.199	C	C	.	.	H	α-helix	trans	-71.3	-35.2	176.5	-173.1	62.9	0	0	0	111	V304 G306 A312 T313 N358 F360 L415	V304-L309 HydrophobicContact CG1-CB 3.77Å; V304-L309 HydrophobicContact CG1-CD2 3.81Å; V304-L309 HydrophobicContact CG1-CG 3.57Å; G306-L309 PolarHBondContact O-N 2.81Å; L309-A312 PolarHBondContact O-N 3.33Å; L309-T313 WeakPolarHBondContact O-CB 3.38Å; L309-T313 PolarHBondContact O-N 3.4Å; L309-T313 PolarHBondContact O-OG1 2.79Å; L309-N358 WeakPolarHBondContact CD1-ND2 3.36Å; L309-N358 WeakPolarHBondContact CG-ND2 3.26Å; L309-F360 HydrophobicContact CD2-CB 4.19Å; L309-L415 HydrophobicContact CD1-CD2 4.28Å
310	A	95	Very high	95.6	Very high	2 Å²	2	34 Å²	34	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-47.1	175.7	0	0	0	0	0	111.2	V304 G306 A307 T313 M314 F327	V304-A310 HydrophobicContact CB-CB 3.83Å; V304-A310 HydrophobicContact CG1-CB 4.05Å; V304-A310 HydrophobicContact CG2-CB 4.36Å; G306-A310 PolarHBondContact O-N 3.26Å; A307-A310 PolarHBondContact O-N 3.21Å; A310-T313 PolarHBondContact O-N 3.45Å; A310-M314 WeakPolarHBondContact O-CG 3.37Å; A310-M314 PolarHBondContact O-N 3.46Å; A310-M314 VanDerWaalsContact O-N 3.13Å; A310-F327 HydrophobicContact CB-CD2 3.86Å; A310-F327 HydrophobicContact CB-CE2 3.45Å; A310-F327 VanDerWaalsContact CB-CE2 3.45Å; A310-F327 HydrophobicContact CB-CZ 4.06Å
311	M	95.7	Very high	95.5	Very high	64 Å²	64	37 Å²	37	32%	0.315	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-49.5	172.8	-70.4	-175.2	-71.1	0	0	112.3	A307 T313 M314 D315 F327	A307-M311 PolarHBondContact O-N 2.92Å; M311-T313 PolarHBondContact O-N 3.32Å; M311-M314 HydrophobicContact CG-CE 4.3Å; M311-M314 WeakPolarHBondContact O-CB 3.26Å; M311-M314 PolarHBondContact O-N 3.04Å; M311-M314 VanDerWaalsContact O-N 3.13Å; M311-D315 PolarHBondContact O-N 2.75Å; M311-F327 HydrophobicContact CG-CD2 4.28Å; M311-F327 HydrophobicContact CG-CE2 3.94Å
312	A	96.5	Very high	95.4	Very high	45 Å²	45	37.5 Å²	37.5	37%	0.372	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-33.1	179.3	0	0	0	0	0	113.1	G308 L309 L316	G308-A312 WeakPolarHBondContact O-CB 3.41Å; G308-A312 PolarHBondContact O-N 2.88Å; L309-A312 PolarHBondContact O-N 3.33Å; A312-L316 WeakPolarHBondContact O-CB 3.39Å; A312-L316 PolarHBondContact O-N 2.76Å
313	T	97.2	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-43.6	176.5	-57.2	0	0	0	0	111	V304 L309 A310 M311 L316 I317 L356 N358	V304-T313 HydrophobicContact CG2-CG2 4.07Å; L309-T313 WeakPolarHBondContact O-CB 3.38Å; L309-T313 PolarHBondContact O-N 3.4Å; L309-T313 PolarHBondContact O-OG1 2.79Å; A310-T313 PolarHBondContact O-N 3.45Å; M311-T313 PolarHBondContact O-N 3.32Å; T313-L316 PolarHBondContact O-N 2.96Å; T313-I317 HydrophobicContact CG2-CD1 4.39Å; T313-I317 WeakPolarHBondContact O-CG1 3.45Å; T313-I317 PolarHBondContact O-N 3.24Å; T313-L356 HydrophobicContact CG2-CD2 3.51Å; T313-L356 HydrophobicContact CG2-CG 4.08Å; T313-N358 HydrophobicContact CG2-CB 4.35Å; T313-N358 PolarHBondContact OG1-ND2 2.87Å
314	M	97.3	Very high	95.5	Very high	24 Å²	24	40.6 Å²	40.6	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-45.5	174.8	-68.2	-170.8	-53.8	0	0	111.8	L296 A310 M311 L316 I317 Q318 P324 F327	L296-M314 HydrophobicContact CD1-SD 3.62Å; A310-M314 WeakPolarHBondContact O-CG 3.37Å; A310-M314 PolarHBondContact O-N 3.46Å; A310-M314 VanDerWaalsContact O-N 3.13Å; M311-M314 HydrophobicContact CG-CE 4.3Å; M311-M314 WeakPolarHBondContact O-CB 3.26Å; M311-M314 PolarHBondContact O-N 3.04Å; M311-M314 VanDerWaalsContact O-N 3.13Å; M314-L316 VanDerWaalsContact C-N 3.27Å; M314-L316 PolarHBondContact O-N 3.27Å; M314-I317 WeakPolarHBondContact O-CB 3.24Å; M314-I317 PolarHBondContact O-N 2.96Å; M314-Q318 PolarHBondContact O-N 3.11Å; M314-P324 HydrophobicContact CB-CB 3.95Å; M314-P324 HydrophobicContact CB-CG 3.97Å; M314-P324 HydrophobicContact CG-CB 3.76Å; M314-P324 HydrophobicContact CG-CG 4.25Å; M314-P324 HydrophobicContact SD-CB 4.21Å; M314-F327 HydrophobicContact CE-CB 3.98Å; M314-F327 HydrophobicContact CE-CD2 3.66Å; M314-F327 HydrophobicContact CE-CG 4.31Å; M314-F327 HydrophobicContact SD-CB 3.78Å; M314-F327 HydrophobicContact SD-CD2 4.34Å
315	D	97.1	Very high	95.5	Very high	80 Å²	80	40.6 Å²	40.6	43%	0.428	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-40.5	177.7	-68.2	-17.3	0	0	0	111.1	M311 Q318 L319	M311-D315 PolarHBondContact O-N 2.75Å; D315-Q318 PolarHBondContact O-N 3.11Å; D315-L319 WeakPolarHBondContact O-CB 3.36Å; D315-L319 PolarHBondContact O-N 3.42Å
316	L	96.7	Very high	95.7	Very high	31 Å²	31	39.9 Å²	39.9	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-70.5	-38.5	179.6	-161.7	64.1	0	0	0	112.6	A312 T313 M314 Q318 L319 H320 L415 D416 A419	A312-L316 WeakPolarHBondContact O-CB 3.39Å; A312-L316 PolarHBondContact O-N 2.76Å; T313-L316 PolarHBondContact O-N 2.96Å; M314-L316 VanDerWaalsContact C-N 3.27Å; M314-L316 PolarHBondContact O-N 3.27Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.04Å; L316-L319 HydrophobicContact CD1-CD2 3.99Å; L316-L319 PolarHBondContact O-N 3.35Å; L316-H320 PolarHBondContact O-CD2 3.39Å; L316-H320 PolarHBondContact O-N 3.31Å; L316-H320 VanDerWaalsContact O-N 3.16Å; L316-L415 HydrophobicContact CD2-CB 4.4Å; L316-L415 HydrophobicContact CD2-CD2 4.27Å; L316-L415 HydrophobicContact CD2-CG 3.69Å; L316-D416 HydrophobicContact CD2-CB 4.47Å; L316-A419 HydrophobicContact CB-CB 4.22Å; L316-A419 HydrophobicContact CD2-CB 3.82Å; L316-A419 HydrophobicContact CG-CB 3.74Å
317	I	97.7	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-46.6	170.1	-73.8	162.6	0	0	0	110	I300 C302 T313 M314 H320 G321 G322 L356 V423	I300-I317 HydrophobicContact CB-CD1 4.42Å; I300-I317 HydrophobicContact CB-CG2 4.31Å; I300-I317 HydrophobicContact CD1-CG2 3.6Å; I300-I317 HydrophobicContact CG2-CD1 3.68Å; I300-I317 HydrophobicContact CG2-CG1 4.35Å; I300-I317 HydrophobicContact CG2-CG2 4.48Å; C302-I317 WeakPolarHBondContact SG-CD1 3.34Å; T313-I317 HydrophobicContact CG2-CD1 4.39Å; T313-I317 WeakPolarHBondContact O-CG1 3.45Å; T313-I317 PolarHBondContact O-N 3.24Å; M314-I317 WeakPolarHBondContact O-CB 3.24Å; M314-I317 PolarHBondContact O-N 2.96Å; I317-H320 PolarHBondContact O-N 3.08Å; I317-G321 PolarHBondContact O-N 2.88Å; I317-G322 WeakPolarHBondContact O-CA 3.21Å; I317-G322 PolarHBondContact O-N 3.16Å; I317-L356 HydrophobicContact CD1-CB 4.44Å; I317-L356 HydrophobicContact CD1-CD2 3.9Å; I317-L356 HydrophobicContact CG1-CD2 4Å; I317-V423 HydrophobicContact CG2-CG2 4.29Å
318	Q	96.8	Very high	96.2	Very high	99 Å²	99	37.3 Å²	37.3	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-37.7	-179.9	-170.9	163.6	42.5	0	0	112.4	M314 D315 L316 H320 G321 G322	M314-Q318 PolarHBondContact O-N 3.11Å; D315-Q318 PolarHBondContact O-N 3.11Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.04Å; Q318-H320 PolarHBondContact O-N 3.2Å; Q318-G321 PolarHBondContact O-N 2.82Å; Q318-G322 WeakPolarHBondContact CA-O 3.36Å
319	L	97.2	Very high	96.1	Very high	135 Å²	135	35.7 Å²	35.7	71%	0.707	21%	0.211	S	C	*	.	H	α-helix	trans	-59.6	-34.4	175.4	-172.4	65.6	0	0	0	112.3	D315 L316 G321	D315-L319 WeakPolarHBondContact O-CB 3.36Å; D315-L319 PolarHBondContact O-N 3.42Å; L316-L319 HydrophobicContact CD1-CD2 3.99Å; L316-L319 PolarHBondContact O-N 3.35Å; L319-G321 VanDerWaalsContact C-N 3.28Å; L319-G321 PolarHBondContact O-N 3.42Å
320	H	97.1	Very high	95.9	Very high	58 Å²	58	34 Å²	34	27%	0.269	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	8.6	175.8	-72.4	-62.7	0	0	0	114.1	L316 I317 Q318 D416 Q420 V423	L316-H320 PolarHBondContact O-CD2 3.39Å; L316-H320 PolarHBondContact O-N 3.31Å; L316-H320 VanDerWaalsContact O-N 3.16Å; I317-H320 PolarHBondContact O-N 3.08Å; Q318-H320 PolarHBondContact O-N 3.2Å; H320-D416 IonicContact CD2-OD1 3.99Å; H320-D416 IonicContact CE1-OD1 2.75Å; H320-D416 PolarHBondContact CE1-OD1 2.91Å; H320-D416 IonicContact CE1-OD2 3Å; H320-D416 IonicContact NE2-OD1 2.75Å; H320-D416 PolarHBondContact NE2-OD1 3.5Å; H320-D416 IonicContact NE2-OD2 3.28Å; H320-Q420 WeakPolarHBondContact CE1-CG 3.31Å; H320-Q420 PolarHBondContact CE1-NE2 3.49Å; H320-Q420 WeakPolarHBondContact ND1-CG 3.43Å; H320-V423 HydrophobicContact CB-CG2 4.02Å
321	G	96.1	Very high	95.4	Very high	63 Å²	63	35 Å²	35	65%	0.649	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	10.2	176.1	0	0	0	0	0	115.1	I317 Q318 L319	I317-G321 PolarHBondContact O-N 2.88Å; Q318-G321 PolarHBondContact O-N 2.82Å; L319-G321 VanDerWaalsContact C-N 3.28Å; L319-G321 PolarHBondContact O-N 3.42Å
322	G	96.7	Very high	94.5	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	22%	0.221	C	C	.	.			trans	-85	176.7	170.3	0	0	0	0	0	112.9	I317 Q318	I317-G322 WeakPolarHBondContact O-CA 3.21Å; I317-G322 PolarHBondContact O-N 3.16Å; Q318-G322 WeakPolarHBondContact CA-O 3.36Å
323	S	97.1	Very high	93.6	Very high	51 Å²	51	34.4 Å²	34.4	36%	0.357	23%	0.228	S	C	.	.			trans	-130.1	116.7	174.4	-169.2	0	0	0	0	110.4	G298 N299 I300 A325	G298-S323 CarbonylContact C-O 3.51Å; G298-S323 WeakPolarHBondContact CA-O 3.34Å; G298-S323 WeakPolarHBondContact CA-OG 3.43Å; N299-S323 PolarHBondContact N-O 3.27Å; N299-S323 PolarHBondContact OD1-O 2.75Å; I300-S323 PolarHBondContact N-O 3.24Å; S323-A325 PolarHBondContact O-N 2.77Å
324	P	97.2	Very high	92.7	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.091	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-67.5	130.2	178.6	28	-33.7	0	0	0	111	L296 G298 I300 M314	L296-P324 WeakPolarHBondContact CB-O 3.29Å; L296-P324 HydrophobicContact CD1-CB 4.34Å; L296-P324 HydrophobicContact CD1-CG 4.27Å; G298-P324 VanDerWaalsContact CA-O 3.3Å; G298-P324 WeakPolarHBondContact CA-O 3.16Å; G298-P324 PolarHBondContact N-O 2.61Å; I300-P324 CarbonylContact O-C 3.55Å; I300-P324 WeakPolarHBondContact O-CA 3.35Å; M314-P324 HydrophobicContact CB-CB 3.95Å; M314-P324 HydrophobicContact CB-CG 3.97Å; M314-P324 HydrophobicContact CG-CB 3.76Å; M314-P324 HydrophobicContact CG-CG 4.25Å; M314-P324 HydrophobicContact SD-CB 4.21Å
325	A	95.8	Very high	92.1	Very high	1 Å²	1	37 Å²	37	1%	0.008	25%	0.246	C	C	.	.			trans	-83.4	-19.4	-179.4	0	0	0	0	0	113.2	L296 G298 I300 S323 V352	L296-A325 CarbonylContact C-O 3.57Å; L296-A325 WeakPolarHBondContact CA-O 3.49Å; L296-A325 PolarHBondContact N-O 3.13Å; L296-A325 VanDerWaalsContact O-O 3.1Å; G298-A325 WeakPolarHBondContact O-CB 3.33Å; I300-A325 PolarHBondContact O-N 2.92Å; S323-A325 PolarHBondContact O-N 2.77Å; A325-V352 HydrophobicContact CB-CG2 3.77Å
326	N	95.2	Very high	91.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	157.7	-179.7	68.2	-75.3	0	0	0	111.4	Y293 I294 G301 C302 L328	Y293-N326 HydrophobicContact CD2-CB 4.23Å; Y293-N326 HydrophobicContact CE2-CB 3.45Å; Y293-N326 VanDerWaalsContact CE2-CB 3.45Å; I294-N326 CarbonylContact O-C 3.5Å; I294-N326 VanDerWaalsContact O-CA 3.28Å; I294-N326 WeakPolarHBondContact O-CA 3.45Å; I294-N326 WeakPolarHBondContact O-CB 3.48Å; G301-N326 WeakPolarHBondContact CA-OD1 3.39Å; C302-N326 PolarHBondContact N-OD1 3.31Å; C302-N326 PolarHBondContact O-ND2 3.46Å; N326-L328 VanDerWaalsContact ND2-CB 3.27Å; N326-L328 WeakPolarHBondContact ND2-CB 3.25Å
327	F	95.3	Very high	90.9	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.3	155.1	171.3	-87.2	0	0	0	108.1	C18 N292 Y293 I294 A307 A310 M311 M314 D329	C18-F327 HydrophobicContact CB-CE1 4.41Å; C18-F327 HydrophobicContact CB-CZ 4.43Å; N292-F327 HydrophobicContact CB-CE1 4.28Å; Y293-F327 WeakPolarHBondContact CA-O 3.31Å; I294-F327 HydrophobicContact CB-CB 4.2Å; I294-F327 HydrophobicContact CD1-CD1 4.42Å; I294-F327 HydrophobicContact CG1-CD1 4.36Å; I294-F327 PolarHBondContact N-O 3.34Å; I294-F327 PolarHBondContact O-N 3.31Å; A307-F327 HydrophobicContact CB-CZ 3.94Å; A310-F327 HydrophobicContact CB-CD2 3.86Å; A310-F327 HydrophobicContact CB-CE2 3.45Å; A310-F327 VanDerWaalsContact CB-CE2 3.45Å; A310-F327 HydrophobicContact CB-CZ 4.06Å; M311-F327 HydrophobicContact CG-CD2 4.28Å; M311-F327 HydrophobicContact CG-CE2 3.94Å; M314-F327 HydrophobicContact CE-CB 3.98Å; M314-F327 HydrophobicContact CE-CD2 3.66Å; M314-F327 HydrophobicContact CE-CG 4.31Å; M314-F327 HydrophobicContact SD-CB 3.78Å; M314-F327 HydrophobicContact SD-CD2 4.34Å; F327-D329 HydrophobicContact CE1-CB 4.09Å; F327-D329 HydrophobicContact CZ-CB 4.04Å
328	L	94.5	Very high	90.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	119	171.1	-167	167.3	0	0	0	110.7	N292 Y293 C302 L303 V304 N326 V330 A342 I346	N292-L328 CarbonylContact O-C 3.6Å; N292-L328 VanDerWaalsContact O-CA 3.27Å; N292-L328 WeakPolarHBondContact O-CA 3.39Å; Y293-L328 HydrophobicContact CD2-CB 4.12Å; Y293-L328 HydrophobicContact CD2-CD1 3.82Å; Y293-L328 HydrophobicContact CD2-CG 4.09Å; Y293-L328 HydrophobicContact CE2-CD1 4.44Å; C302-L328 VanDerWaalsContact O-CB 3.31Å; C302-L328 WeakPolarHBondContact O-CB 3.3Å; L303-L328 HydrophobicContact CG-CD2 4.22Å; V304-L328 PolarHBondContact N-O 2.91Å; V304-L328 VanDerWaalsContact N-O 3.17Å; N326-L328 VanDerWaalsContact ND2-CB 3.27Å; N326-L328 WeakPolarHBondContact ND2-CB 3.25Å; L328-V330 HydrophobicContact CD2-CB 4.46Å; L328-V330 HydrophobicContact CD2-CG1 3.37Å; L328-A342 HydrophobicContact CD1-CB 3.63Å; L328-A342 HydrophobicContact CD2-CB 4.02Å; L328-I346 HydrophobicContact CD1-CD1 3.96Å; L328-I346 HydrophobicContact CD1-CG1 4.06Å
329	D	92.8	Very high	90	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.2	171.2	175.3	16.7	0	0	0	110.4	N292 V304 G306 A307 F327 G331	N292-D329 HydrophobicContact CB-CB 4.09Å; N292-D329 PolarHBondContact N-O 3.35Å; N292-D329 PolarHBondContact O-N 2.96Å; V304-D329 VanDerWaalsContact O-CA 3.31Å; V304-D329 WeakPolarHBondContact O-CA 3.33Å; G306-D329 WeakPolarHBondContact CA-OD1 3.45Å; G306-D329 PolarHBondContact N-OD1 2.92Å; A307-D329 PolarHBondContact N-OD2 3.12Å; F327-D329 HydrophobicContact CE1-CB 4.09Å; F327-D329 HydrophobicContact CZ-CB 4.04Å; D329-G331 VanDerWaalsContact C-N 3.34Å; D329-G331 WeakPolarHBondContact OD1-CA 3.43Å; D329-G331 PolarHBondContact OD1-N 3.21Å
330	V	88.9	Confident	89.8	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.055	24%	0.235	C	C	.	.			trans	-82.3	-9.7	176.2	-61.8	0	0	0	0	113.6	L291 L303 V304 N305 L328 A334 A342	L291-V330 HydrophobicContact CD2-CB 4.18Å; L291-V330 HydrophobicContact CD2-CG1 3.9Å; L303-V330 HydrophobicContact CD2-CG1 3.66Å; L303-V330 HydrophobicContact CD2-CG2 4.22Å; L303-V330 HydrophobicContact CG-CG1 4.06Å; V304-V330 WeakPolarHBondContact O-CG2 3.44Å; V304-V330 PolarHBondContact O-N 2.82Å; N305-V330 HydrophobicContact CB-CG2 3.83Å; L328-V330 HydrophobicContact CD2-CB 4.46Å; L328-V330 HydrophobicContact CD2-CG1 3.37Å; V330-A334 HydrophobicContact CB-CB 3.72Å; V330-A334 HydrophobicContact CG2-CB 3.66Å; V330-A342 HydrophobicContact CG1-CB 4.24Å
331	G	83.8	Confident	89.5	Confident	24 Å²	24	32.4 Å²	32.4	25%	0.247	23%	0.233	C	C	.	.			trans	77	171	-174.4	0	0	0	0	0	114.2	N305 D329 G333	N305-G331 WeakPolarHBondContact CB-O 3.32Å; D329-G331 VanDerWaalsContact C-N 3.34Å; D329-G331 WeakPolarHBondContact OD1-CA 3.43Å; D329-G331 PolarHBondContact OD1-N 3.21Å; G331-G333 VanDerWaalsContact C-N 3.28Å; G331-G333 PolarHBondContact O-N 3.06Å
332	G	77	Confident	89.4	Confident	45 Å²	45	29.4 Å²	29.4	46%	0.464	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.1	-174.5	0	0	0	0	0	115.9	I363	G332-I363 WeakPolarHBondContact O-CG1 3.28Å
333	G	78.1	Confident	89.3	Confident	51 Å²	51	29 Å²	29	53%	0.526	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	34.2	-175.4	0	0	0	0	0	113.3	G331 T335	G331-G333 VanDerWaalsContact C-N 3.28Å; G331-G333 PolarHBondContact O-N 3.06Å; G333-T335 PolarHBondContact O-N 3.31Å
334	A	79.6	Confident	89.1	Confident	7 Å²	7	31.3 Å²	31.3	6%	0.058	20%	0.199	C	C	.	.			trans	-56.3	133.8	-174.6	0	0	0	0	0	112.5	V330 V339 M364	V330-A334 HydrophobicContact CB-CB 3.72Å; V330-A334 HydrophobicContact CG2-CB 3.66Å; A334-V339 HydrophobicContact CB-CG2 4.45Å; A334-M364 HydrophobicContact CB-SD 4.25Å; A334-M364 WeakPolarHBondContact O-CE 3.24Å
335	T	82.9	Confident	88.9	Confident	71 Å²	71	30.8 Å²	30.8	44%	0.436	20%	0.195	S	C	.	.			trans	-84.1	164	173.3	70.5	0	0	0	0	111.4	G333 D337 Q338 V339	G333-T335 PolarHBondContact O-N 3.31Å; T335-D337 VanDerWaalsContact C-N 3.25Å; T335-D337 PolarHBondContact O-N 3.27Å; T335-Q338 PolarHBondContact O-N 2.85Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.5Å; T335-Q338 PolarHBondContact OG1-N 3.24Å; T335-V339 WeakPolarHBondContact O-CG2 3.41Å; T335-V339 PolarHBondContact O-N 3.29Å
336	A	82.3	Confident	88.8	Confident	59 Å²	59	30.8 Å²	30.8	49%	0.488	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-41.3	173.1	0	0	0	0	0	111.5	Q338 V339 T340	A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 3.38Å; A336-V339 WeakPolarHBondContact O-CB 3.29Å; A336-V339 PolarHBondContact O-N 3.45Å; A336-V339 VanDerWaalsContact O-N 3.16Å; A336-T340 PolarHBondContact O-N 3.05Å; A336-T340 PolarHBondContact O-OG1 2.87Å
337	D	86.9	Confident	88.7	Confident	132 Å²	132	33.3 Å²	33.3	71%	0.706	21%	0.21	S	C	*	.	H	α-helix	trans	-62	-40.6	177.2	-61.3	-20.4	0	0	0	112.2	T335 V339 T340 E341	T335-D337 VanDerWaalsContact C-N 3.25Å; T335-D337 PolarHBondContact O-N 3.27Å; D337-V339 VanDerWaalsContact C-N 3.33Å; D337-V339 PolarHBondContact O-N 2.9Å; D337-T340 PolarHBondContact O-N 3.14Å; D337-E341 PolarHBondContact O-N 3.26Å
338	Q	88	Confident	88.6	Confident	43 Å²	43	35.8 Å²	35.8	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-37.9	175.3	-74.9	-179.2	-53.1	0	0	112	A289 L291 T335 A336 A342	A289-Q338 PolarHBondContact O-NE2 3.34Å; L291-Q338 HydrophobicContact CD2-CB 4.2Å; T335-Q338 PolarHBondContact O-N 2.85Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.5Å; T335-Q338 PolarHBondContact OG1-N 3.24Å; A336-Q338 VanDerWaalsContact C-N 3.35Å; A336-Q338 PolarHBondContact O-N 3.38Å; Q338-A342 VanDerWaalsContact O-CB 3.28Å; Q338-A342 WeakPolarHBondContact O-CB 3.44Å; Q338-A342 PolarHBondContact O-N 3.41Å
339	V	88.6	Confident	88.4	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-43.7	174.5	173.7	0	0	0	0	110.7	L303 A334 T335 A336 D337 E341 A342 F343 I373	L303-V339 HydrophobicContact CD1-CG1 4.37Å; A334-V339 HydrophobicContact CB-CG2 4.45Å; T335-V339 WeakPolarHBondContact O-CG2 3.41Å; T335-V339 PolarHBondContact O-N 3.29Å; A336-V339 WeakPolarHBondContact O-CB 3.29Å; A336-V339 PolarHBondContact O-N 3.45Å; A336-V339 VanDerWaalsContact O-N 3.16Å; D337-V339 VanDerWaalsContact C-N 3.33Å; D337-V339 PolarHBondContact O-N 2.9Å; V339-E341 PolarHBondContact O-N 3.17Å; V339-A342 WeakPolarHBondContact O-CB 3.38Å; V339-A342 PolarHBondContact O-N 2.91Å; V339-F343 HydrophobicContact CG1-CD2 3.87Å; V339-F343 HydrophobicContact CG1-CE2 3.76Å; V339-F343 VanDerWaalsContact O-CD2 3.28Å; V339-F343 WeakPolarHBondContact O-CD2 3.26Å; V339-F343 PolarHBondContact O-N 3.4Å; V339-I373 HydrophobicContact CG1-CG1 4.31Å
340	T	91.3	Very high	88.3	Confident	16 Å²	16	40.7 Å²	40.7	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-45.6	175.8	-59.3	0	0	0	0	111.6	A336 D337 A342 F343 R344 A376 L380	A336-T340 PolarHBondContact O-N 3.05Å; A336-T340 PolarHBondContact O-OG1 2.87Å; D337-T340 PolarHBondContact O-N 3.14Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 3.41Å; T340-F343 PolarHBondContact O-N 3.21Å; T340-R344 PolarHBondContact O-N 3.25Å; T340-A376 HydrophobicContact CG2-CB 4.32Å; T340-L380 HydrophobicContact CG2-CD1 4.42Å
341	E	92.5	Very high	88.4	Confident	51 Å²	51	45.3 Å²	45.3	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-35.5	178.7	-167.5	57.7	-163.1	0	0	112.1	A289 L291 D337 V339 F343 R344 L345	A289-E341 HydrophobicContact CB-CB 4.27Å; A289-E341 HydrophobicContact CB-CG 3.67Å; L291-E341 HydrophobicContact CD1-CB 4.4Å; D337-E341 PolarHBondContact O-N 3.26Å; V339-E341 PolarHBondContact O-N 3.17Å; E341-F343 PolarHBondContact O-N 3.33Å; E341-R344 WeakPolarHBondContact O-CB 3.49Å; E341-R344 PolarHBondContact O-N 2.9Å; E341-R344 VanDerWaalsContact OE2-CD 3.31Å; E341-R344 WeakPolarHBondContact OE2-CD 3.46Å; E341-R344 IonicContact OE2-NE 2.84Å; E341-R344 PolarHBondContact OE2-NE 3.29Å; E341-L345 HydrophobicContact CG-CD1 4.45Å; E341-L345 VanDerWaalsContact O-CG 3.3Å; E341-L345 WeakPolarHBondContact O-CG 3.27Å; E341-L345 PolarHBondContact O-N 3.23Å
342	A	93.4	Very high	89	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-45.2	171.2	0	0	0	0	0	111.9	L291 L303 L328 V330 Q338 V339 T340 L345 I346	L291-A342 HydrophobicContact CD1-CB 3.96Å; L303-A342 HydrophobicContact CD1-CB 3.67Å; L303-A342 HydrophobicContact CG-CB 4.11Å; L328-A342 HydrophobicContact CD1-CB 3.63Å; L328-A342 HydrophobicContact CD2-CB 4.02Å; V330-A342 HydrophobicContact CG1-CB 4.24Å; Q338-A342 VanDerWaalsContact O-CB 3.28Å; Q338-A342 WeakPolarHBondContact O-CB 3.44Å; Q338-A342 PolarHBondContact O-N 3.41Å; V339-A342 WeakPolarHBondContact O-CB 3.38Å; V339-A342 PolarHBondContact O-N 2.91Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 3.41Å; A342-L345 PolarHBondContact O-N 2.86Å; A342-I346 VanDerWaalsContact O-CG1 3.3Å; A342-I346 WeakPolarHBondContact O-CG1 3.44Å; A342-I346 PolarHBondContact O-N 2.85Å
343	F	94.1	Very high	89.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-40.1	173.5	-84.9	-70.4	0	0	0	112.3	L303 V339 T340 E341 L345 I346 T347 I355 V357 I373 A376 L380 I382 I386	L303-F343 HydrophobicContact CD1-CD2 4.12Å; L303-F343 HydrophobicContact CD1-CE2 3.99Å; L303-F343 HydrophobicContact CD1-CZ 4.34Å; V339-F343 HydrophobicContact CG1-CD2 3.87Å; V339-F343 HydrophobicContact CG1-CE2 3.76Å; V339-F343 VanDerWaalsContact O-CD2 3.28Å; V339-F343 WeakPolarHBondContact O-CD2 3.26Å; V339-F343 PolarHBondContact O-N 3.4Å; T340-F343 PolarHBondContact O-N 3.21Å; E341-F343 PolarHBondContact O-N 3.33Å; F343-L345 VanDerWaalsContact C-N 3.32Å; F343-L345 PolarHBondContact O-N 3.23Å; F343-I346 PolarHBondContact O-N 2.88Å; F343-T347 WeakPolarHBondContact O-CB 3.27Å; F343-T347 WeakPolarHBondContact O-CG2 3.39Å; F343-T347 PolarHBondContact O-N 3.2Å; F343-T347 PolarHBondContact O-OG1 2.85Å; F343-I355 HydrophobicContact CD1-CD1 3.88Å; F343-I355 HydrophobicContact CE1-CD1 4.02Å; F343-I355 HydrophobicContact CE1-CG2 4.02Å; F343-V357 HydrophobicContact CE1-CG2 4.24Å; F343-V357 HydrophobicContact CZ-CG2 3.73Å; F343-I373 HydrophobicContact CE2-CB 4.38Å; F343-I373 HydrophobicContact CE2-CG1 4.19Å; F343-I373 HydrophobicContact CE2-CG2 4.15Å; F343-I373 HydrophobicContact CZ-CG2 3.95Å; F343-A376 HydrophobicContact CD2-CB 3.67Å; F343-A376 HydrophobicContact CE2-CB 4.28Å; F343-A376 HydrophobicContact CG-CB 4.37Å; F343-L380 HydrophobicContact CB-CD1 3.57Å; F343-I382 HydrophobicContact CB-CD1 3.98Å; F343-I382 HydrophobicContact CD1-CD1 3.4Å; F343-I382 HydrophobicContact CE1-CD1 4.03Å; F343-I382 HydrophobicContact CG-CD1 3.84Å; F343-I386 HydrophobicContact CE1-CD1 3.89Å; F343-I386 HydrophobicContact CE1-CG1 4.48Å; F343-I386 HydrophobicContact CE1-CG2 4.28Å; F343-I386 HydrophobicContact CZ-CD1 4.31Å; F343-I386 HydrophobicContact CZ-CG2 4.35Å
344	R	93.6	Very high	90.8	Very high	101 Å²	101	40.1 Å²	40.1	38%	0.381	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-42.1	177	-167.3	-174.6	-54.9	-74.2	-4.1	111.4	T340 E341 T347 S348 E379 L380	T340-R344 PolarHBondContact O-N 3.25Å; E341-R344 WeakPolarHBondContact O-CB 3.49Å; E341-R344 PolarHBondContact O-N 2.9Å; E341-R344 VanDerWaalsContact OE2-CD 3.31Å; E341-R344 WeakPolarHBondContact OE2-CD 3.46Å; E341-R344 IonicContact OE2-NE 2.84Å; E341-R344 PolarHBondContact OE2-NE 3.29Å; R344-T347 PolarHBondContact O-OG1 2.79Å; R344-S348 WeakPolarHBondContact O-CB 3.1Å; R344-S348 PolarHBondContact O-N 2.77Å; R344-E379 IonicContact NH2-OE1 3.66Å; R344-E379 PolarHBondContact NH2-OE1 2.85Å; R344-L380 HydrophobicContact CB-CD1 4.13Å; R344-L380 HydrophobicContact CB-CD2 4.42Å; R344-L380 HydrophobicContact CG-CD2 4.43Å
345	L	92.8	Very high	91.6	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-50.1	176.9	-72.5	164	0	0	0	111.7	R282 K285 A286 L291 Y293 E341 A342 F343 T347 S348	R282-L345 HydrophobicContact CB-CD2 4.43Å; R282-L345 WeakPolarHBondContact O-CD2 3.28Å; K285-L345 HydrophobicContact CB-CD2 3.69Å; A286-L345 HydrophobicContact CB-CD1 3.64Å; L291-L345 HydrophobicContact CD1-CD1 3.84Å; Y293-L345 HydrophobicContact CE2-CB 4.46Å; E341-L345 HydrophobicContact CG-CD1 4.45Å; E341-L345 VanDerWaalsContact O-CG 3.3Å; E341-L345 WeakPolarHBondContact O-CG 3.27Å; E341-L345 PolarHBondContact O-N 3.23Å; A342-L345 PolarHBondContact O-N 2.86Å; F343-L345 VanDerWaalsContact C-N 3.32Å; F343-L345 PolarHBondContact O-N 3.23Å; L345-T347 PolarHBondContact O-N 3.23Å; L345-S348 WeakPolarHBondContact O-CB 3.39Å; L345-S348 PolarHBondContact O-N 2.87Å; L345-S348 PolarHBondContact O-OG 3.34Å
346	I	94.3	Very high	92.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-45.6	179	-66.6	166.7	0	0	0	111	C302 L303 L328 A342 F343 S348 D349 V352 I355	C302-I346 WeakPolarHBondContact O-CD1 3.37Å; L303-I346 HydrophobicContact CB-CD1 3.99Å; L328-I346 HydrophobicContact CD1-CD1 3.96Å; L328-I346 HydrophobicContact CD1-CG1 4.06Å; A342-I346 VanDerWaalsContact O-CG1 3.3Å; A342-I346 WeakPolarHBondContact O-CG1 3.44Å; A342-I346 PolarHBondContact O-N 2.85Å; F343-I346 PolarHBondContact O-N 2.88Å; I346-S348 VanDerWaalsContact C-N 3.25Å; I346-S348 PolarHBondContact O-N 3.3Å; I346-D349 PolarHBondContact O-N 2.86Å; I346-V352 HydrophobicContact CG2-CG1 4.08Å; I346-V352 HydrophobicContact CG2-CG2 4.21Å; I346-V352 WeakPolarHBondContact O-CG2 3.36Å; I346-I355 HydrophobicContact CD1-CG2 4.38Å; I346-I355 HydrophobicContact CG2-CD1 3.79Å; I346-I355 HydrophobicContact CG2-CG1 3.86Å
347	T	92.7	Very high	93	Very high	53 Å²	53	33.6 Å²	33.6	33%	0.325	18%	0.178	S	C	.	.	H	α-helix	trans	-76.8	-10.4	-177.9	55.6	0	0	0	0	114	F343 R344 L345 D349 I355 I382	F343-T347 WeakPolarHBondContact O-CB 3.27Å; F343-T347 WeakPolarHBondContact O-CG2 3.39Å; F343-T347 PolarHBondContact O-N 3.2Å; F343-T347 PolarHBondContact O-OG1 2.85Å; R344-T347 PolarHBondContact O-OG1 2.79Å; L345-T347 PolarHBondContact O-N 3.23Å; T347-D349 PolarHBondContact O-N 3.04Å; T347-I355 HydrophobicContact CG2-CD1 3.86Å; T347-I382 HydrophobicContact CG2-CD1 4.11Å; T347-I382 HydrophobicContact CG2-CG1 4.16Å; T347-I382 HydrophobicContact CG2-CG2 4.19Å
348	S	91.7	Very high	93.4	Very high	64 Å²	64	27.3 Å²	27.3	45%	0.448	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.9	170.4	76.5	0	0	0	0	113	R344 L345 I346 P350	R344-S348 WeakPolarHBondContact O-CB 3.1Å; R344-S348 PolarHBondContact O-N 2.77Å; L345-S348 WeakPolarHBondContact O-CB 3.39Å; L345-S348 PolarHBondContact O-N 2.87Å; L345-S348 PolarHBondContact O-OG 3.34Å; I346-S348 VanDerWaalsContact C-N 3.25Å; I346-S348 PolarHBondContact O-N 3.3Å; S348-P350 WeakPolarHBondContact O-CD 3.39Å
349	D	90.6	Very high	93.7	Very high	14 Å²	14	25.4 Å²	25.4	8%	0.075	14%	0.135	C	C	.	.			trans	-87.4	113.1	175.1	-170.5	-21.3	0	0	0	110.6	R282 I346 T347 K351 V352	R282-D349 IonicContact NH1-OD2 3.86Å; R282-D349 PolarHBondContact NH1-OD2 3.36Å; I346-D349 PolarHBondContact O-N 2.86Å; T347-D349 PolarHBondContact O-N 3.04Å; D349-K351 PolarHBondContact O-N 3.04Å; D349-K351 VanDerWaalsContact OD1-CB 3.25Å; D349-K351 WeakPolarHBondContact OD1-CB 3.45Å; D349-K351 WeakPolarHBondContact OD1-CG 3.49Å; D349-K351 PolarHBondContact OD1-N 3.24Å; D349-V352 HydrophobicContact CB-CG2 4.02Å; D349-V352 PolarHBondContact O-N 2.88Å; D349-V352 VanDerWaalsContact O-N 3.16Å
350	P	90.4	Very high	93.8	Very high	105 Å²	105	30.7 Å²	30.7	68%	0.682	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.3	-179	28	-35.6	0	0	0	113.5	S348 V352 R433	S348-P350 WeakPolarHBondContact O-CD 3.39Å; P350-V352 PolarHBondContact O-N 3.36Å; P350-R433 PolarHBondContact O-NH1 3.06Å
351	K	92.2	Very high	93.1	Very high	105 Å²	105	30 Å²	30	46%	0.457	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.4	177.2	-62.6	177.8	-179	178.6	0	112.3	D297 N299 D349 N353	D297-K351 IonicContact OD1-NZ 2.84Å; N299-K351 WeakPolarHBondContact CA-O 3.5Å; N299-K351 WeakPolarHBondContact CB-O 3.49Å; D349-K351 PolarHBondContact O-N 3.04Å; D349-K351 VanDerWaalsContact OD1-CB 3.25Å; D349-K351 WeakPolarHBondContact OD1-CB 3.45Å; D349-K351 WeakPolarHBondContact OD1-CG 3.49Å; D349-K351 PolarHBondContact OD1-N 3.24Å; K351-N353 PolarHBondContact O-N 3.18Å
352	V	95.6	Very high	92.6	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	17%	0.172	C	C	.	.			trans	-67.2	122.6	-177.8	177.1	0	0	0	0	110.8	N299 A325 I346 D349 P350 A354 I355 V384 R433	N299-V352 WeakPolarHBondContact O-CA 3.5Å; A325-V352 HydrophobicContact CB-CG2 3.77Å; I346-V352 HydrophobicContact CG2-CG1 4.08Å; I346-V352 HydrophobicContact CG2-CG2 4.21Å; I346-V352 WeakPolarHBondContact O-CG2 3.36Å; D349-V352 HydrophobicContact CB-CG2 4.02Å; D349-V352 PolarHBondContact O-N 2.88Å; D349-V352 VanDerWaalsContact O-N 3.16Å; P350-V352 PolarHBondContact O-N 3.36Å; V352-A354 WeakPolarHBondContact CG1-O 3.34Å; V352-I355 HydrophobicContact CG1-CG1 4.01Å; V352-V384 WeakPolarHBondContact O-CG1 3.25Å; V352-R433 PolarHBondContact O-NH2 3.42Å
353	N	95.8	Very high	92	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	21%	0.209	C	C	.	.			trans	-109	-24.4	179.7	-72.2	-27.5	0	0	0	112.5	N299 K351 P385 A426 V429 R433	N299-N353 HydrophobicContact CB-CB 4.4Å; N299-N353 PolarHBondContact ND2-ND2 3.23Å; N299-N353 PolarHBondContact O-N 3Å; K351-N353 PolarHBondContact O-N 3.18Å; N353-P385 WeakPolarHBondContact O-CD 3.48Å; N353-A426 HydrophobicContact CB-CB 4.09Å; N353-V429 HydrophobicContact CB-CB 4.12Å; N353-V429 HydrophobicContact CB-CG1 3.95Å; N353-R433 PolarHBondContact OD1-NE 2.86Å; N353-R433 PolarHBondContact OD1-NH1 2.92Å
354	A	97.1	Very high	91.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.4	174.3	0	0	0	0	0	110.2	N299 I300 G301 V352 P385 A426	N299-A354 PolarHBondContact O-N 3.38Å; I300-A354 CarbonylContact C-O 3.55Å; I300-A354 WeakPolarHBondContact CA-O 3.36Å; G301-A354 PolarHBondContact N-O 3.3Å; V352-A354 WeakPolarHBondContact CG1-O 3.34Å; A354-P385 WeakPolarHBondContact CA-O 3.44Å; A354-P385 HydrophobicContact CB-CG 4.04Å; A354-A426 HydrophobicContact CB-CB 3.86Å
355	I	97.5	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.5	175.9	-55.7	177.6	0	0	0	109.1	G301 F343 I346 T347 V352 V357 I382 V384 P385 I386 V387	G301-I355 CarbonylContact O-C 3.59Å; G301-I355 WeakPolarHBondContact O-CA 3.37Å; F343-I355 HydrophobicContact CD1-CD1 3.88Å; F343-I355 HydrophobicContact CE1-CD1 4.02Å; F343-I355 HydrophobicContact CE1-CG2 4.02Å; I346-I355 HydrophobicContact CD1-CG2 4.38Å; I346-I355 HydrophobicContact CG2-CD1 3.79Å; I346-I355 HydrophobicContact CG2-CG1 3.86Å; T347-I355 HydrophobicContact CG2-CD1 3.86Å; V352-I355 HydrophobicContact CG1-CG1 4.01Å; I355-V357 HydrophobicContact CG2-CG2 4.18Å; I355-I382 HydrophobicContact CD1-CG2 4.38Å; I355-V384 HydrophobicContact CD1-CG2 3.95Å; I355-V384 HydrophobicContact CG1-CG2 3.98Å; I355-P385 PolarHBondContact N-O 3.36Å; I355-I386 HydrophobicContact CB-CG2 4.46Å; I355-I386 CarbonylContact O-C 3.03Å; I355-I386 WeakPolarHBondContact O-CA 3.27Å; I355-V387 PolarHBondContact O-N 3.43Å
356	L	98	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.5	169.3	177	55.4	0	0	0	109.8	I300 G301 C302 L303 T313 I317 V387 A418	I300-L356 HydrophobicContact CG2-CB 4.39Å; G301-L356 PolarHBondContact O-N 2.91Å; C302-L356 WeakPolarHBondContact CA-O 3.27Å; L303-L356 PolarHBondContact N-O 3.25Å; T313-L356 HydrophobicContact CG2-CD2 3.51Å; T313-L356 HydrophobicContact CG2-CG 4.08Å; I317-L356 HydrophobicContact CD1-CB 4.44Å; I317-L356 HydrophobicContact CD1-CD2 3.9Å; I317-L356 HydrophobicContact CG1-CD2 4Å; L356-V387 WeakPolarHBondContact CA-O 3.41Å; L356-V387 HydrophobicContact CD1-CB 4.09Å; L356-V387 HydrophobicContact CD1-CG1 4.02Å; L356-A418 HydrophobicContact CD1-CB 3.74Å
357	V	96.6	Very high	91	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.1	171.1	-176.7	0	0	0	0	108.6	L303 F343 I355 I359 I373 I386 V387 V388 R389	L303-V357 HydrophobicContact CB-CG2 4.27Å; L303-V357 HydrophobicContact CD2-CG1 4.24Å; L303-V357 CarbonylContact O-C 3.58Å; L303-V357 WeakPolarHBondContact O-CA 3.42Å; F343-V357 HydrophobicContact CE1-CG2 4.24Å; F343-V357 HydrophobicContact CZ-CG2 3.73Å; I355-V357 HydrophobicContact CG2-CG2 4.18Å; V357-I359 HydrophobicContact CG1-CD1 3.89Å; V357-I359 HydrophobicContact CG1-CG1 4.04Å; V357-I373 HydrophobicContact CG1-CD1 3.85Å; V357-I386 HydrophobicContact CG2-CG2 3.87Å; V357-V387 PolarHBondContact N-O 3.38Å; V357-V388 HydrophobicContact CB-CG1 4.48Å; V357-V388 HydrophobicContact CB-CG2 4.12Å; V357-V388 HydrophobicContact CG2-CG2 4.29Å; V357-V388 CarbonylContact O-C 3.56Å; V357-V388 WeakPolarHBondContact O-CA 3.47Å; V357-R389 PolarHBondContact O-N 2.87Å
358	N	95.8	Very high	90.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	103.2	177.2	174.4	26.8	0	0	0	109.4	L303 V304 L309 T313 R389 L415	L303-N358 PolarHBondContact O-N 3.47Å; V304-N358 WeakPolarHBondContact CA-O 3.38Å; V304-N358 WeakPolarHBondContact CG1-O 3.16Å; V304-N358 HydrophobicContact CG2-CB 4.15Å; L309-N358 WeakPolarHBondContact CD1-ND2 3.36Å; L309-N358 WeakPolarHBondContact CG-ND2 3.26Å; T313-N358 HydrophobicContact CG2-CB 4.35Å; T313-N358 PolarHBondContact OG1-ND2 2.87Å; N358-R389 WeakPolarHBondContact CA-O 3.44Å; N358-R389 WeakPolarHBondContact OD1-CD 3.25Å; N358-R389 PolarHBondContact OD1-NH1 2.96Å; N358-L415 HydrophobicContact CB-CD1 4.17Å; N358-L415 WeakPolarHBondContact ND2-CD1 3.5Å
359	I	93.1	Very high	90.7	Very high	4 Å²	4	38 Å²	38	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.7	-178.9	-64.2	173.4	0	0	0	110.6	L303 N305 V357 I369 R389 L390 Q391	L303-I359 HydrophobicContact CD2-CD1 4.09Å; L303-I359 HydrophobicContact CD2-CG1 4.49Å; N305-I359 VanDerWaalsContact OD1-CA 3.29Å; N305-I359 WeakPolarHBondContact OD1-CA 3.41Å; V357-I359 HydrophobicContact CG1-CD1 3.89Å; V357-I359 HydrophobicContact CG1-CG1 4.04Å; I359-I369 HydrophobicContact CD1-CG2 3.53Å; I359-I369 HydrophobicContact CG2-CD1 3.63Å; I359-R389 PolarHBondContact N-O 2.76Å; I359-L390 HydrophobicContact CB-CD2 3.79Å; I359-L390 WeakPolarHBondContact O-CA 3.45Å; I359-Q391 PolarHBondContact O-N 2.87Å
360	F	90.4	Very high	90.7	Very high	116 Å²	116	37.3 Å²	37.3	51%	0.509	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	103.2	167	-155.6	-53.2	0	0	0	108.2	N305 L309 G362 Q391	N305-F360 PolarHBondContact ND2-O 2.87Å; N305-F360 PolarHBondContact OD1-N 3.46Å; L309-F360 HydrophobicContact CD2-CB 4.19Å; F360-G362 VanDerWaalsContact C-N 3.27Å; F360-G362 PolarHBondContact O-N 2.88Å; F360-Q391 CarbonylContact C-O 3.49Å; F360-Q391 HydrophobicContact CD2-CB 4.38Å; F360-Q391 HydrophobicContact CE2-CB 4.49Å; F360-Q391 HydrophobicContact CG-CB 4.41Å
361	G	76.4	Confident	90.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.192	C	C	.	.			trans	-48.9	-38.4	-165.2	0	0	0	0	0	115.1	I363 M364 Q391	G361-I363 PolarHBondContact O-N 2.93Å; G361-M364 CarbonylContact C-O 3.4Å; G361-M364 WeakPolarHBondContact CA-O 3.37Å; G361-M364 WeakPolarHBondContact O-CA 3.24Å; G361-M364 WeakPolarHBondContact O-CB 3.03Å; G361-M364 PolarHBondContact O-N 2.67Å; G361-Q391 WeakPolarHBondContact CA-O 3Å; G361-Q391 PolarHBondContact N-O 3.02Å
362	G	81.7	Confident	90.6	Very high	60 Å²	60	32.6 Å²	32.6	62%	0.619	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	-109.1	180	0	0	0	0	0	110.8	F360	F360-G362 VanDerWaalsContact C-N 3.27Å; F360-G362 PolarHBondContact O-N 2.88Å
363	I	82.5	Confident	90.5	Very high	152 Å²	152	32.3 Å²	32.3	78%	0.779	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.9	174.9	60.3	171.9	0	0	0	114.4	G332 G361	G332-I363 WeakPolarHBondContact O-CG1 3.28Å; G361-I363 PolarHBondContact O-N 2.93Å
364	M	81.9	Confident	90.3	Very high	34 Å²	34	33.3 Å²	33.3	17%	0.167	18%	0.178	C	C	.	.	S	Bend	trans	-88.1	142.8	179.2	-62.8	-174.4	71.4	0	0	111.5	A334 G361 I369	A334-M364 HydrophobicContact CB-SD 4.25Å; A334-M364 WeakPolarHBondContact O-CE 3.24Å; G361-M364 CarbonylContact C-O 3.4Å; G361-M364 WeakPolarHBondContact CA-O 3.37Å; G361-M364 WeakPolarHBondContact O-CA 3.24Å; G361-M364 WeakPolarHBondContact O-CB 3.03Å; G361-M364 PolarHBondContact O-N 2.67Å; M364-I369 HydrophobicContact CB-CD1 3.66Å; M364-I369 HydrophobicContact CB-CG1 4.25Å; M364-I369 HydrophobicContact CE-CD1 4.18Å; M364-I369 HydrophobicContact CE-CG1 3.64Å; M364-I369 HydrophobicContact SD-CD1 4.34Å; M364-I369 HydrophobicContact SD-CG1 4.4Å
365	R	87.8	Confident	90.1	Very high	110 Å²	110	36 Å²	36	42%	0.415	20%	0.201	S	C	.	.			trans	-83.3	135.5	172.1	-66.9	165.7	37.2	-179.4	-13.6	110.8	D367 V368 I369	R365-D367 VanDerWaalsContact C-N 3.25Å; R365-D367 WeakPolarHBondContact CB-OD1 3.49Å; R365-D367 IonicContact CZ-OD1 3.57Å; R365-D367 IonicContact CZ-OD2 3.57Å; R365-D367 IonicContact NE-OD1 3.67Å; R365-D367 PolarHBondContact NE-OD1 2.98Å; R365-D367 IonicContact NE-OD2 3.25Å; R365-D367 IonicContact NH2-OD1 3.34Å; R365-D367 PolarHBondContact NH2-OD1 2.91Å; R365-D367 IonicContact NH2-OD2 2.63Å; R365-D367 PolarHBondContact NH2-OD2 3.17Å; R365-D367 PolarHBondContact O-N 2.72Å; R365-V368 HydrophobicContact CB-CG2 4.31Å; R365-V368 PolarHBondContact O-N 2.8Å; R365-I369 PolarHBondContact O-N 2.84Å
366	C	91.3	Very high	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-31.5	-176.7	-64.3	0	0	0	0	112.8	I369 A370 L390 Q391 T393 V395 A398	C366-I369 PolarHBondContact O-N 2.82Å; C366-A370 WeakPolarHBondContact O-CB 3.33Å; C366-A370 PolarHBondContact O-N 2.75Å; C366-L390 HydrophobicContact CB-CB 4.26Å; C366-L390 HydrophobicContact CB-CD1 4.24Å; C366-Q391 VanDerWaalsContact SG-C 3.56Å; C366-T393 WeakPolarHBondContact CB-O 3.49Å; C366-T393 PolarHBondContact N-O 2.81Å; C366-V395 HydrophobicContact CB-CB 4.45Å; C366-A398 VanDerWaalsContact C-CB 3.43Å; C366-A398 HydrophobicContact CB-CB 3.61Å; C366-A398 VanDerWaalsContact O-CB 3.31Å; C366-A398 WeakPolarHBondContact O-CB 3.33Å
367	D	91.3	Very high	89.5	Confident	6 Å²	6	36 Å²	36	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-38.6	-179.9	66.2	-38.3	0	0	0	112.6	R365 A370 Q371 R394 D397 I401	R365-D367 VanDerWaalsContact C-N 3.25Å; R365-D367 WeakPolarHBondContact CB-OD1 3.49Å; R365-D367 IonicContact CZ-OD1 3.57Å; R365-D367 IonicContact CZ-OD2 3.57Å; R365-D367 IonicContact NE-OD1 3.67Å; R365-D367 PolarHBondContact NE-OD1 2.98Å; R365-D367 IonicContact NE-OD2 3.25Å; R365-D367 IonicContact NH2-OD1 3.34Å; R365-D367 PolarHBondContact NH2-OD1 2.91Å; R365-D367 IonicContact NH2-OD2 2.63Å; R365-D367 PolarHBondContact NH2-OD2 3.17Å; R365-D367 PolarHBondContact O-N 2.72Å; D367-A370 PolarHBondContact O-N 2.74Å; D367-Q371 VanDerWaalsContact O-CG 3.32Å; D367-Q371 WeakPolarHBondContact O-CG 3.15Å; D367-Q371 PolarHBondContact O-N 2.88Å; D367-R394 HydrophobicContact CB-CB 4.26Å; D367-R394 IonicContact OD2-CZ 3.14Å; D367-R394 VanDerWaalsContact OD2-CZ 3.24Å; D367-R394 IonicContact OD2-NE 2.7Å; D367-R394 PolarHBondContact OD2-NE 2.64Å; D367-R394 IonicContact OD2-NH1 3.52Å; D367-R394 IonicContact OD2-NH2 2.73Å; D367-D397 HydrophobicContact CB-CB 4.08Å; D367-I401 HydrophobicContact CB-CD1 3.87Å
368	V	88.3	Confident	89.3	Confident	73 Å²	73	39.9 Å²	39.9	44%	0.442	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-41.5	173.1	178.5	0	0	0	0	110.8	R365 Q371 G372	R365-V368 HydrophobicContact CB-CG2 4.31Å; R365-V368 PolarHBondContact O-N 2.8Å; V368-Q371 PolarHBondContact O-N 3Å; V368-G372 PolarHBondContact O-N 2.91Å
369	I	89.3	Confident	89.1	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-46.3	176.1	-66.8	159.1	0	0	0	110.6	I359 M364 R365 C366 Q371 G372 I373 L390	I359-I369 HydrophobicContact CD1-CG2 3.53Å; I359-I369 HydrophobicContact CG2-CD1 3.63Å; M364-I369 HydrophobicContact CB-CD1 3.66Å; M364-I369 HydrophobicContact CB-CG1 4.25Å; M364-I369 HydrophobicContact CE-CD1 4.18Å; M364-I369 HydrophobicContact CE-CG1 3.64Å; M364-I369 HydrophobicContact SD-CD1 4.34Å; M364-I369 HydrophobicContact SD-CG1 4.4Å; R365-I369 PolarHBondContact O-N 2.84Å; C366-I369 PolarHBondContact O-N 2.82Å; I369-Q371 VanDerWaalsContact C-N 3.33Å; I369-Q371 PolarHBondContact O-N 3.38Å; I369-G372 PolarHBondContact O-N 2.99Å; I369-G372 VanDerWaalsContact O-N 3.15Å; I369-I373 HydrophobicContact CG2-CD1 3.81Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.44Å; I369-I373 PolarHBondContact O-N 3.16Å; I369-L390 HydrophobicContact CG2-CD2 3.81Å
370	A	91.7	Very high	89	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-41.6	177.9	0	0	0	0	0	112.1	C366 D367 G372 I373 V374 L390 A398 I401 L402	C366-A370 WeakPolarHBondContact O-CB 3.33Å; C366-A370 PolarHBondContact O-N 2.75Å; D367-A370 PolarHBondContact O-N 2.74Å; A370-G372 PolarHBondContact O-N 3.31Å; A370-I373 PolarHBondContact O-N 3Å; A370-V374 WeakPolarHBondContact O-CG2 3.48Å; A370-V374 PolarHBondContact O-N 3.14Å; A370-L390 HydrophobicContact CB-CD1 4.11Å; A370-A398 HydrophobicContact CB-CB 3.87Å; A370-I401 HydrophobicContact CB-CB 4.21Å; A370-I401 HydrophobicContact CB-CG2 4.02Å; A370-L402 HydrophobicContact CB-CD2 3.81Å; A370-L402 HydrophobicContact CB-CG 3.99Å
371	Q	90.6	Very high	89	Confident	104 Å²	104	46.4 Å²	46.4	49%	0.486	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-45.1	173.1	-72.5	168.6	5.9	0	0	111.8	D367 V368 I369 V374 A375 I401	D367-Q371 VanDerWaalsContact O-CG 3.32Å; D367-Q371 WeakPolarHBondContact O-CG 3.15Å; D367-Q371 PolarHBondContact O-N 2.88Å; V368-Q371 PolarHBondContact O-N 3Å; I369-Q371 VanDerWaalsContact C-N 3.33Å; I369-Q371 PolarHBondContact O-N 3.38Å; Q371-V374 PolarHBondContact O-N 3.42Å; Q371-A375 VanDerWaalsContact O-CB 3.31Å; Q371-A375 WeakPolarHBondContact O-CB 3.36Å; Q371-A375 PolarHBondContact O-N 2.78Å; Q371-I401 HydrophobicContact CG-CD1 4.13Å; Q371-I401 HydrophobicContact CG-CG2 4.29Å
372	G	89.8	Confident	89.7	Confident	8 Å²	8	47 Å²	47	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.3	0	0	0	0	0	112.9	V368 I369 A370 A375 A376	V368-G372 PolarHBondContact O-N 2.91Å; I369-G372 PolarHBondContact O-N 2.99Å; I369-G372 VanDerWaalsContact O-N 3.15Å; A370-G372 PolarHBondContact O-N 3.31Å; G372-A375 PolarHBondContact O-N 2.9Å; G372-A376 VanDerWaalsContact O-CB 3.3Å; G372-A376 WeakPolarHBondContact O-CB 3.12Å; G372-A376 PolarHBondContact O-N 2.74Å
373	I	92.5	Very high	90	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-47.6	176.2	-68.1	165.9	0	0	0	110.9	V339 F343 V357 I369 A370 A376 A377 V388 L390 I409	V339-I373 HydrophobicContact CG1-CG1 4.31Å; F343-I373 HydrophobicContact CE2-CB 4.38Å; F343-I373 HydrophobicContact CE2-CG1 4.19Å; F343-I373 HydrophobicContact CE2-CG2 4.15Å; F343-I373 HydrophobicContact CZ-CG2 3.95Å; V357-I373 HydrophobicContact CG1-CD1 3.85Å; I369-I373 HydrophobicContact CG2-CD1 3.81Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.44Å; I369-I373 PolarHBondContact O-N 3.16Å; A370-I373 PolarHBondContact O-N 3Å; I373-A376 PolarHBondContact O-N 2.86Å; I373-A377 VanDerWaalsContact O-CB 3.23Å; I373-A377 WeakPolarHBondContact O-CB 3.36Å; I373-A377 PolarHBondContact O-N 2.79Å; I373-V388 HydrophobicContact CD1-CG1 3.99Å; I373-V388 HydrophobicContact CD1-CG2 4.43Å; I373-V388 HydrophobicContact CG2-CG2 4.31Å; I373-L390 HydrophobicContact CD1-CD2 4.43Å; I373-I409 HydrophobicContact CG2-CD1 4.2Å
374	V	93.1	Very high	90.4	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-46.9	179.2	172.2	0	0	0	0	110.4	A370 Q371 A376 A377 T378 I401 L402 I409	A370-V374 WeakPolarHBondContact O-CG2 3.48Å; A370-V374 PolarHBondContact O-N 3.14Å; Q371-V374 PolarHBondContact O-N 3.42Å; V374-A376 PolarHBondContact O-N 3.16Å; V374-A377 PolarHBondContact O-N 2.9Å; V374-T378 WeakPolarHBondContact O-CB 3.33Å; V374-T378 PolarHBondContact O-N 2.72Å; V374-T378 PolarHBondContact O-OG1 3.48Å; V374-I401 HydrophobicContact CG2-CG2 4.29Å; V374-L402 HydrophobicContact CG2-CD2 3.99Å; V374-I409 HydrophobicContact CG2-CD1 4.03Å
375	A	91.4	Very high	91	Very high	57 Å²	57	42.5 Å²	42.5	47%	0.471	22%	0.222	S	C	.	.	H	α-helix	trans	-58.5	-49.2	178.2	0	0	0	0	0	111.9	Q371 G372 A377 T378 E379	Q371-A375 VanDerWaalsContact O-CB 3.31Å; Q371-A375 WeakPolarHBondContact O-CB 3.36Å; Q371-A375 PolarHBondContact O-N 2.78Å; G372-A375 PolarHBondContact O-N 2.9Å; A375-A377 PolarHBondContact O-N 2.9Å; A375-T378 PolarHBondContact O-N 2.81Å; A375-E379 WeakPolarHBondContact O-CB 3.36Å; A375-E379 PolarHBondContact O-N 2.72Å
376	A	91.6	Very high	91.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-44.6	177	0	0	0	0	0	112	T340 F343 G372 I373 V374 T378 E379 L380	T340-A376 HydrophobicContact CG2-CB 4.32Å; F343-A376 HydrophobicContact CD2-CB 3.67Å; F343-A376 HydrophobicContact CE2-CB 4.28Å; F343-A376 HydrophobicContact CG-CB 4.37Å; G372-A376 VanDerWaalsContact O-CB 3.3Å; G372-A376 WeakPolarHBondContact O-CB 3.12Å; G372-A376 PolarHBondContact O-N 2.74Å; I373-A376 PolarHBondContact O-N 2.86Å; V374-A376 PolarHBondContact O-N 3.16Å; A376-T378 VanDerWaalsContact C-N 3.33Å; A376-T378 PolarHBondContact O-N 2.79Å; A376-E379 PolarHBondContact O-N 3.43Å; A376-L380 VanDerWaalsContact O-CB 3.31Å; A376-L380 WeakPolarHBondContact O-CB 3.45Å; A376-L380 VanDerWaalsContact O-CG 3.31Å; A376-L380 WeakPolarHBondContact O-CG 3.3Å; A376-L380 PolarHBondContact O-N 2.89Å
377	A	92.4	Very high	91.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-38.1	179.9	0	0	0	0	0	112.2	I373 V374 A375 N381 I382 I386 M407	I373-A377 VanDerWaalsContact O-CB 3.23Å; I373-A377 WeakPolarHBondContact O-CB 3.36Å; I373-A377 PolarHBondContact O-N 2.79Å; V374-A377 PolarHBondContact O-N 2.9Å; A375-A377 PolarHBondContact O-N 2.9Å; A377-N381 WeakPolarHBondContact O-CA 3.4Å; A377-N381 PolarHBondContact O-N 2.89Å; A377-N381 VanDerWaalsContact O-N 3.14Å; A377-I382 HydrophobicContact CB-CD1 4.18Å; A377-I382 HydrophobicContact CB-CG1 4.48Å; A377-I382 PolarHBondContact O-N 2.86Å; A377-I386 HydrophobicContact CB-CD1 3.82Å; A377-M407 VanDerWaalsContact C-CE 3.41Å; A377-M407 HydrophobicContact CB-CE 3.67Å; A377-M407 VanDerWaalsContact O-CE 3.24Å; A377-M407 WeakPolarHBondContact O-CE 3.44Å
378	T	91.8	Very high	91.9	Very high	81 Å²	81	37.2 Å²	37.2	50%	0.497	20%	0.202	S	C	.	.	H	α-helix	trans	-70.8	-49	176.3	-59.6	0	0	0	0	111.5	V374 A375 A376 L380 N381	V374-T378 WeakPolarHBondContact O-CB 3.33Å; V374-T378 PolarHBondContact O-N 2.72Å; V374-T378 PolarHBondContact O-OG1 3.48Å; A375-T378 PolarHBondContact O-N 2.81Å; A376-T378 VanDerWaalsContact C-N 3.33Å; A376-T378 PolarHBondContact O-N 2.79Å; T378-L380 PolarHBondContact O-N 2.86Å; T378-N381 PolarHBondContact O-N 3.48Å; T378-N381 VanDerWaalsContact O-N 3.16Å
379	E	91.9	Very high	92.3	Very high	123 Å²	123	35.2 Å²	35.2	58%	0.575	19%	0.187	S	C	*	.	H	α-helix	trans	-58.7	-46.6	179.8	-175.3	-167.9	135.9	0	0	111.6	R344 A375 A376 N381	R344-E379 IonicContact NH2-OE1 3.66Å; R344-E379 PolarHBondContact NH2-OE1 2.85Å; A375-E379 WeakPolarHBondContact O-CB 3.36Å; A375-E379 PolarHBondContact O-N 2.72Å; A376-E379 PolarHBondContact O-N 3.43Å; E379-N381 VanDerWaalsContact C-N 3.26Å; E379-N381 PolarHBondContact O-N 2.85Å
380	L	91.4	Very high	92.5	Very high	38 Å²	38	35.3 Å²	35.3	20%	0.199	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.2	-178.7	-59.5	176.4	0	0	0	113.1	T340 F343 R344 A376 T378 I382	T340-L380 HydrophobicContact CG2-CD1 4.42Å; F343-L380 HydrophobicContact CB-CD1 3.57Å; R344-L380 HydrophobicContact CB-CD1 4.13Å; R344-L380 HydrophobicContact CB-CD2 4.42Å; R344-L380 HydrophobicContact CG-CD2 4.43Å; A376-L380 VanDerWaalsContact O-CB 3.31Å; A376-L380 WeakPolarHBondContact O-CB 3.45Å; A376-L380 VanDerWaalsContact O-CG 3.31Å; A376-L380 WeakPolarHBondContact O-CG 3.3Å; A376-L380 PolarHBondContact O-N 2.89Å; T378-L380 PolarHBondContact O-N 2.86Å; L380-I382 VanDerWaalsContact C-N 3.29Å; L380-I382 HydrophobicContact CB-CD1 4.39Å; L380-I382 HydrophobicContact CB-CG1 3.85Å; L380-I382 HydrophobicContact CD1-CD1 4.49Å; L380-I382 PolarHBondContact O-N 3.41Å
381	N	90.7	Very high	92.6	Very high	96 Å²	96	38 Å²	38	51%	0.513	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.8	-179.3	-169.2	26.2	0	0	0	113	A377 T378 E379 K383	A377-N381 WeakPolarHBondContact O-CA 3.4Å; A377-N381 PolarHBondContact O-N 2.89Å; A377-N381 VanDerWaalsContact O-N 3.14Å; T378-N381 PolarHBondContact O-N 3.48Å; T378-N381 VanDerWaalsContact O-N 3.16Å; E379-N381 VanDerWaalsContact C-N 3.26Å; E379-N381 PolarHBondContact O-N 2.85Å; N381-K383 VanDerWaalsContact CG-NZ 3.35Å; N381-K383 WeakPolarHBondContact ND2-CE 3.37Å; N381-K383 PolarHBondContact ND2-NZ 3.31Å; N381-K383 WeakPolarHBondContact O-CD 3.34Å; N381-K383 WeakPolarHBondContact O-CG 3.39Å; N381-K383 PolarHBondContact O-N 3.49Å; N381-K383 WeakPolarHBondContact OD1-CE 3.5Å; N381-K383 PolarHBondContact OD1-NZ 2.69Å
382	I	90.5	Very high	92.6	Very high	14 Å²	14	34.7 Å²	34.7	7%	0.072	19%	0.194	C	C	.	.			trans	-62.3	123.6	-171.3	-57.7	-175.8	0	0	0	110.4	F343 T347 I355 A377 L380 V384 I386	F343-I382 HydrophobicContact CB-CD1 3.98Å; F343-I382 HydrophobicContact CD1-CD1 3.4Å; F343-I382 HydrophobicContact CE1-CD1 4.03Å; F343-I382 HydrophobicContact CG-CD1 3.84Å; T347-I382 HydrophobicContact CG2-CD1 4.11Å; T347-I382 HydrophobicContact CG2-CG1 4.16Å; T347-I382 HydrophobicContact CG2-CG2 4.19Å; I355-I382 HydrophobicContact CD1-CG2 4.38Å; A377-I382 HydrophobicContact CB-CD1 4.18Å; A377-I382 HydrophobicContact CB-CG1 4.48Å; A377-I382 PolarHBondContact O-N 2.86Å; L380-I382 VanDerWaalsContact C-N 3.29Å; L380-I382 HydrophobicContact CB-CD1 4.39Å; L380-I382 HydrophobicContact CB-CG1 3.85Å; L380-I382 HydrophobicContact CD1-CD1 4.49Å; L380-I382 PolarHBondContact O-N 3.41Å; I382-V384 HydrophobicContact CG2-CG2 3.62Å; I382-I386 HydrophobicContact CB-CD1 4.44Å; I382-I386 HydrophobicContact CD1-CD1 4.17Å; I382-I386 HydrophobicContact CG2-CD1 4.13Å; I382-I386 HydrophobicContact CG2-CG1 4.31Å
383	K	87.7	Confident	92.8	Very high	129 Å²	129	38.5 Å²	38.5	56%	0.561	22%	0.215	S	C	*	.			trans	-96.3	-26.4	-176	-60	-51.4	-171.7	-172.1	0	114.3	N381 K408	N381-K383 VanDerWaalsContact CG-NZ 3.35Å; N381-K383 WeakPolarHBondContact ND2-CE 3.37Å; N381-K383 PolarHBondContact ND2-NZ 3.31Å; N381-K383 WeakPolarHBondContact O-CD 3.34Å; N381-K383 WeakPolarHBondContact O-CG 3.39Å; N381-K383 PolarHBondContact O-N 3.49Å; N381-K383 WeakPolarHBondContact OD1-CE 3.5Å; N381-K383 PolarHBondContact OD1-NZ 2.69Å; K383-K408 WeakPolarHBondContact O-CD 3.5Å; K383-K408 PolarHBondContact O-NZ 3.41Å
384	V	92.3	Very high	92.7	Very high	18 Å²	18	43.9 Å²	43.9	11%	0.109	24%	0.236	C	C	.	.	S	Bend	trans	-73.8	146.5	176.8	-66.4	0	0	0	0	110.2	V352 I355 I382	V352-V384 WeakPolarHBondContact O-CG1 3.25Å; I355-V384 HydrophobicContact CD1-CG2 3.95Å; I355-V384 HydrophobicContact CG1-CG2 3.98Å; I382-V384 HydrophobicContact CG2-CG2 3.62Å
385	P	94.6	Very high	92.7	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.026	24%	0.235	C	C	.	.			trans	-62.7	140	175.4	24.9	-33.3	0	0	0	111.6	N353 A354 I355 L425 V429 F441	N353-P385 WeakPolarHBondContact O-CD 3.48Å; A354-P385 WeakPolarHBondContact CA-O 3.44Å; A354-P385 HydrophobicContact CB-CG 4.04Å; I355-P385 PolarHBondContact N-O 3.36Å; P385-L425 HydrophobicContact CB-CB 4.23Å; P385-L425 HydrophobicContact CB-CD1 4.07Å; P385-L425 HydrophobicContact CB-CD2 4.49Å; P385-L425 HydrophobicContact CG-CB 3.82Å; P385-V429 HydrophobicContact CG-CG2 4.08Å; P385-F441 HydrophobicContact CB-CE2 4.43Å; P385-F441 HydrophobicContact CG-CE2 4.08Å; P385-F441 HydrophobicContact CG-CZ 4.43Å
386	I	96	Very high	92.8	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.1	176.3	-50.7	175.3	0	0	0	107.8	F343 I355 V357 A377 I382 V388 K408 I409 L410	F343-I386 HydrophobicContact CE1-CD1 3.89Å; F343-I386 HydrophobicContact CE1-CG1 4.48Å; F343-I386 HydrophobicContact CE1-CG2 4.28Å; F343-I386 HydrophobicContact CZ-CD1 4.31Å; F343-I386 HydrophobicContact CZ-CG2 4.35Å; I355-I386 HydrophobicContact CB-CG2 4.46Å; I355-I386 CarbonylContact O-C 3.03Å; I355-I386 WeakPolarHBondContact O-CA 3.27Å; V357-I386 HydrophobicContact CG2-CG2 3.87Å; A377-I386 HydrophobicContact CB-CD1 3.82Å; I382-I386 HydrophobicContact CB-CD1 4.44Å; I382-I386 HydrophobicContact CD1-CD1 4.17Å; I382-I386 HydrophobicContact CG2-CD1 4.13Å; I382-I386 HydrophobicContact CG2-CG1 4.31Å; I386-V388 HydrophobicContact CG2-CG2 3.68Å; I386-K408 PolarHBondContact N-O 3.08Å; I386-I409 HydrophobicContact CB-CG1 4.2Å; I386-I409 HydrophobicContact CD1-CG1 4.26Å; I386-I409 CarbonylContact O-C 3.53Å; I386-I409 VanDerWaalsContact O-CA 3.3Å; I386-I409 WeakPolarHBondContact O-CA 2.94Å; I386-L410 PolarHBondContact O-N 3.43Å
387	V	96.7	Very high	92.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126	170.4	-176	0	0	0	0	107.6	I355 L356 V357 A418 M421 L425	I355-V387 PolarHBondContact O-N 3.43Å; L356-V387 WeakPolarHBondContact CA-O 3.41Å; L356-V387 HydrophobicContact CD1-CB 4.09Å; L356-V387 HydrophobicContact CD1-CG1 4.02Å; V357-V387 PolarHBondContact N-O 3.38Å; V387-A418 HydrophobicContact CG1-CB 3.99Å; V387-M421 HydrophobicContact CG1-CB 4.38Å; V387-M421 HydrophobicContact CG2-CB 4.36Å; V387-L425 HydrophobicContact CG2-CD1 3.63Å
388	V	96.1	Very high	92.9	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.5	-173.7	178.5	0	0	0	0	109.5	V357 I373 I386 L390 L402 I409 L410 G411 C412	V357-V388 HydrophobicContact CB-CG1 4.48Å; V357-V388 HydrophobicContact CB-CG2 4.12Å; V357-V388 HydrophobicContact CG2-CG2 4.29Å; V357-V388 CarbonylContact O-C 3.56Å; V357-V388 WeakPolarHBondContact O-CA 3.47Å; I373-V388 HydrophobicContact CD1-CG1 3.99Å; I373-V388 HydrophobicContact CD1-CG2 4.43Å; I373-V388 HydrophobicContact CG2-CG2 4.31Å; I386-V388 HydrophobicContact CG2-CG2 3.68Å; V388-L390 HydrophobicContact CG1-CD1 4.16Å; V388-L390 HydrophobicContact CG1-CD2 3.94Å; V388-L390 HydrophobicContact CG1-CG 3.69Å; V388-L402 HydrophobicContact CB-CD1 3.9Å; V388-L402 HydrophobicContact CG1-CD1 3.58Å; V388-L402 HydrophobicContact CG2-CD1 4.47Å; V388-I409 HydrophobicContact CB-CG2 4.15Å; V388-I409 HydrophobicContact CG2-CG2 3.48Å; V388-I409 VanDerWaalsContact CG2-CG2 3.48Å; V388-L410 PolarHBondContact N-O 3.02Å; V388-G411 CarbonylContact O-C 3.58Å; V388-G411 WeakPolarHBondContact O-CA 3.17Å; V388-C412 PolarHBondContact O-N 2.82Å
389	R	95.8	Very high	92.9	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.117	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	111	171.3	-170.9	-81.3	-170.9	159.3	1	108.6	V357 N358 I359 Q391 S413 A418	V357-R389 PolarHBondContact O-N 2.87Å; N358-R389 WeakPolarHBondContact CA-O 3.44Å; N358-R389 WeakPolarHBondContact OD1-CD 3.25Å; N358-R389 PolarHBondContact OD1-NH1 2.96Å; I359-R389 PolarHBondContact N-O 2.76Å; R389-Q391 VanDerWaalsContact NH2-CG 3.31Å; R389-S413 PolarHBondContact NE-O 3.06Å; R389-A418 HydrophobicContact CB-CB 3.89Å; R389-A418 HydrophobicContact CG-CB 4.34Å
390	L	94	Very high	92.9	Very high	8 Å²	8	46 Å²	46	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.5	175.7	-58.3	179	0	0	0	109.9	I359 C366 I369 A370 I373 V388 V395 A398 L402	I359-L390 HydrophobicContact CB-CD2 3.79Å; I359-L390 WeakPolarHBondContact O-CA 3.45Å; C366-L390 HydrophobicContact CB-CB 4.26Å; C366-L390 HydrophobicContact CB-CD1 4.24Å; I369-L390 HydrophobicContact CG2-CD2 3.81Å; A370-L390 HydrophobicContact CB-CD1 4.11Å; I373-L390 HydrophobicContact CD1-CD2 4.43Å; V388-L390 HydrophobicContact CG1-CD1 4.16Å; V388-L390 HydrophobicContact CG1-CD2 3.94Å; V388-L390 HydrophobicContact CG1-CG 3.69Å; L390-V395 HydrophobicContact CB-CG2 4.4Å; L390-V395 VanDerWaalsContact O-CG2 3.3Å; L390-V395 WeakPolarHBondContact O-CG2 3.33Å; L390-A398 HydrophobicContact CD1-CB 3.73Å; L390-L402 HydrophobicContact CD1-CD1 4.28Å
391	Q	93.1	Very high	93	Very high	57 Å²	57	46 Å²	46	27%	0.266	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.8	170.6	-75.2	-63.4	-32.3	0	0	110.5	I359 F360 G361 C366 R389 S413	I359-Q391 PolarHBondContact O-N 2.87Å; F360-Q391 CarbonylContact C-O 3.49Å; F360-Q391 HydrophobicContact CD2-CB 4.38Å; F360-Q391 HydrophobicContact CE2-CB 4.49Å; F360-Q391 HydrophobicContact CG-CB 4.41Å; G361-Q391 WeakPolarHBondContact CA-O 3Å; G361-Q391 PolarHBondContact N-O 3.02Å; C366-Q391 VanDerWaalsContact SG-C 3.56Å; R389-Q391 VanDerWaalsContact NH2-CG 3.31Å; Q391-S413 PolarHBondContact NE2-O 3.47Å
392	G	92.2	Very high	93	Very high	34 Å²	34	41.8 Å²	41.8	35%	0.351	22%	0.217	S	C	.	.	S	Bend	trans	135.6	-155.6	178.4	0	0	0	0	0	113.4
393	T	92.2	Very high	92.9	Very high	87 Å²	87	42.5 Å²	42.5	53%	0.534	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	133.4	-174.4	-45.7	0	0	0	0	111.4	C366 V395	C366-T393 WeakPolarHBondContact CB-O 3.49Å; C366-T393 PolarHBondContact N-O 2.81Å; T393-V395 VanDerWaalsContact C-N 3.33Å; T393-V395 PolarHBondContact O-N 3.01Å
394	R	92.3	Very high	93	Very high	114 Å²	114	41.1 Å²	41.1	43%	0.43	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	35.4	-178.3	-56.6	-176.2	70.5	160.8	-1	114.4	D367 E396 D397 A398	D367-R394 HydrophobicContact CB-CB 4.26Å; D367-R394 IonicContact OD2-CZ 3.14Å; D367-R394 VanDerWaalsContact OD2-CZ 3.24Å; D367-R394 IonicContact OD2-NE 2.7Å; D367-R394 PolarHBondContact OD2-NE 2.64Å; D367-R394 IonicContact OD2-NH1 3.52Å; D367-R394 IonicContact OD2-NH2 2.73Å; R394-E396 VanDerWaalsContact C-N 3.31Å; R394-E396 PolarHBondContact O-N 3.21Å; R394-D397 HydrophobicContact CB-CB 4.32Å; R394-D397 IonicContact CZ-OD2 3.63Å; R394-D397 IonicContact NE-OD2 3.69Å; R394-D397 PolarHBondContact NE-OD2 3.37Å; R394-D397 IonicContact NH2-OD2 2.75Å; R394-D397 PolarHBondContact NH2-OD2 2.95Å; R394-D397 PolarHBondContact O-N 3.33Å; R394-A398 PolarHBondContact O-N 2.81Å; R394-A398 VanDerWaalsContact O-N 3.09Å
395	V	92.7	Very high	92.6	Very high	23 Å²	23	41.3 Å²	41.3	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-35.8	177.5	66	0	0	0	0	113.1	C366 L390 T393 A398 K399	C366-V395 HydrophobicContact CB-CB 4.45Å; L390-V395 HydrophobicContact CB-CG2 4.4Å; L390-V395 VanDerWaalsContact O-CG2 3.3Å; L390-V395 WeakPolarHBondContact O-CG2 3.33Å; T393-V395 VanDerWaalsContact C-N 3.33Å; T393-V395 PolarHBondContact O-N 3.01Å; V395-A398 WeakPolarHBondContact O-CB 3.42Å; V395-A398 PolarHBondContact O-N 3.5Å; V395-K399 WeakPolarHBondContact O-CG 3.43Å; V395-K399 PolarHBondContact O-N 3.27Å
396	E	92.5	Very high	91.9	Very high	118 Å²	118	49 Å²	49	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-67.8	-41	179.1	-61.7	-52.7	129.1	0	0	111.9	R394 A398 K399 A400	R394-E396 VanDerWaalsContact C-N 3.31Å; R394-E396 PolarHBondContact O-N 3.21Å; E396-A398 VanDerWaalsContact C-N 3.29Å; E396-A398 PolarHBondContact O-N 2.89Å; E396-K399 PolarHBondContact O-N 3.35Å; E396-K399 IonicContact OE1-NZ 3.73Å; E396-K399 PolarHBondContact OE1-NZ 3.41Å; E396-K399 IonicContact OE2-NZ 3.24Å; E396-A400 PolarHBondContact O-N 2.84Å; E396-A400 VanDerWaalsContact O-N 3.07Å
397	D	93.5	Very high	91.2	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-39.5	172.6	-61.4	-21.2	0	0	0	111.2	D367 R394 A400 I401	D367-D397 HydrophobicContact CB-CB 4.08Å; R394-D397 HydrophobicContact CB-CB 4.32Å; R394-D397 IonicContact CZ-OD2 3.63Å; R394-D397 IonicContact NE-OD2 3.69Å; R394-D397 PolarHBondContact NE-OD2 3.37Å; R394-D397 IonicContact NH2-OD2 2.75Å; R394-D397 PolarHBondContact NH2-OD2 2.95Å; R394-D397 PolarHBondContact O-N 3.33Å; D397-A400 PolarHBondContact O-N 3.34Å; D397-I401 WeakPolarHBondContact O-CD1 3.43Å; D397-I401 VanDerWaalsContact O-CG1 3.29Å; D397-I401 WeakPolarHBondContact O-CG1 3.28Å; D397-I401 PolarHBondContact O-N 3.1Å
398	A	93.1	Very high	90.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-46.4	176.3	0	0	0	0	0	111.6	C366 A370 L390 R394 V395 E396 A400 I401 L402	C366-A398 VanDerWaalsContact C-CB 3.43Å; C366-A398 HydrophobicContact CB-CB 3.61Å; C366-A398 VanDerWaalsContact O-CB 3.31Å; C366-A398 WeakPolarHBondContact O-CB 3.33Å; A370-A398 HydrophobicContact CB-CB 3.87Å; L390-A398 HydrophobicContact CD1-CB 3.73Å; R394-A398 PolarHBondContact O-N 2.81Å; R394-A398 VanDerWaalsContact O-N 3.09Å; V395-A398 WeakPolarHBondContact O-CB 3.42Å; V395-A398 PolarHBondContact O-N 3.5Å; E396-A398 VanDerWaalsContact C-N 3.29Å; E396-A398 PolarHBondContact O-N 2.89Å; A398-A400 VanDerWaalsContact C-N 3.31Å; A398-A400 PolarHBondContact O-N 3.09Å; A398-I401 WeakPolarHBondContact O-CB 3.43Å; A398-I401 PolarHBondContact O-N 2.79Å; A398-L402 VanDerWaalsContact O-CG 3.32Å; A398-L402 WeakPolarHBondContact O-CG 3.33Å; A398-L402 PolarHBondContact O-N 2.9Å
399	K	91.4	Very high	90.3	Very high	65 Å²	65	54.7 Å²	54.7	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-43.5	175.5	-71.9	171.6	-179.7	169.4	0	111.5	V395 E396 I401 L402 A403 S413	V395-K399 WeakPolarHBondContact O-CG 3.43Å; V395-K399 PolarHBondContact O-N 3.27Å; E396-K399 PolarHBondContact O-N 3.35Å; E396-K399 IonicContact OE1-NZ 3.73Å; E396-K399 PolarHBondContact OE1-NZ 3.41Å; E396-K399 IonicContact OE2-NZ 3.24Å; K399-I401 PolarHBondContact O-N 2.88Å; K399-L402 PolarHBondContact O-N 3.47Å; K399-A403 WeakPolarHBondContact O-CB 2.92Å; K399-A403 PolarHBondContact O-N 3.32Å; K399-S413 PolarHBondContact NZ-OG 3.31Å
400	A	92.1	Very high	90.2	Very high	55 Å²	55	54.1 Å²	54.1	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.6	0	0	0	0	0	112.6	E396 D397 A398 A403 T404	E396-A400 PolarHBondContact O-N 2.84Å; E396-A400 VanDerWaalsContact O-N 3.07Å; D397-A400 PolarHBondContact O-N 3.34Å; A398-A400 VanDerWaalsContact C-N 3.31Å; A398-A400 PolarHBondContact O-N 3.09Å; A400-A403 PolarHBondContact O-N 2.82Å; A400-T404 WeakPolarHBondContact O-CB 3.48Å; A400-T404 WeakPolarHBondContact O-CG2 3.2Å; A400-T404 PolarHBondContact O-N 2.85Å; A400-T404 PolarHBondContact O-OG1 3.15Å
401	I	92.8	Very high	90.1	Very high	40 Å²	40	55.8 Å²	55.8	21%	0.205	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-43.8	175.3	-69.5	159.2	0	0	0	111	D367 A370 Q371 V374 D397 A398 K399 T404 S405	D367-I401 HydrophobicContact CB-CD1 3.87Å; A370-I401 HydrophobicContact CB-CB 4.21Å; A370-I401 HydrophobicContact CB-CG2 4.02Å; Q371-I401 HydrophobicContact CG-CD1 4.13Å; Q371-I401 HydrophobicContact CG-CG2 4.29Å; V374-I401 HydrophobicContact CG2-CG2 4.29Å; D397-I401 WeakPolarHBondContact O-CD1 3.43Å; D397-I401 VanDerWaalsContact O-CG1 3.29Å; D397-I401 WeakPolarHBondContact O-CG1 3.28Å; D397-I401 PolarHBondContact O-N 3.1Å; A398-I401 WeakPolarHBondContact O-CB 3.43Å; A398-I401 PolarHBondContact O-N 2.79Å; K399-I401 PolarHBondContact O-N 2.88Å; I401-T404 PolarHBondContact O-OG1 2.86Å; I401-S405 PolarHBondContact O-N 3.41Å
402	L	92.1	Very high	90.1	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-45.5	179.3	-62.5	178	0	0	0	111.5	A370 V374 V388 L390 A398 K399 T404 S405 I409	A370-L402 HydrophobicContact CB-CD2 3.81Å; A370-L402 HydrophobicContact CB-CG 3.99Å; V374-L402 HydrophobicContact CG2-CD2 3.99Å; V388-L402 HydrophobicContact CB-CD1 3.9Å; V388-L402 HydrophobicContact CG1-CD1 3.58Å; V388-L402 HydrophobicContact CG2-CD1 4.47Å; L390-L402 HydrophobicContact CD1-CD1 4.28Å; A398-L402 VanDerWaalsContact O-CG 3.32Å; A398-L402 WeakPolarHBondContact O-CG 3.33Å; A398-L402 PolarHBondContact O-N 2.9Å; K399-L402 PolarHBondContact O-N 3.47Å; L402-T404 VanDerWaalsContact C-N 3.32Å; L402-T404 PolarHBondContact O-N 2.76Å; L402-S405 WeakPolarHBondContact O-CB 3.44Å; L402-S405 PolarHBondContact O-N 2.88Å; L402-S405 PolarHBondContact O-OG 3.19Å; L402-I409 HydrophobicContact CB-CG2 4.23Å; L402-I409 HydrophobicContact CD1-CG2 4.38Å; L402-I409 HydrophobicContact CD2-CD1 4.4Å; L402-I409 HydrophobicContact CD2-CG2 4.07Å; L402-I409 HydrophobicContact CG-CG2 4.43Å
403	A	88.4	Confident	89.9	Confident	29 Å²	29	54.4 Å²	54.4	24%	0.24	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-35.9	-179.8	0	0	0	0	0	112.9	K399 A400 Y445	K399-A403 WeakPolarHBondContact O-CB 2.92Å; K399-A403 PolarHBondContact O-N 3.32Å; A400-A403 PolarHBondContact O-N 2.82Å; A403-Y445 HydrophobicContact CB-CD1 4.49Å; A403-Y445 WeakPolarHBondContact O-CD1 3.25Å; A403-Y445 VanDerWaalsContact O-CE1 3.28Å; A403-Y445 WeakPolarHBondContact O-CE1 3.39Å
404	T	88.8	Confident	90	Very high	100 Å²	100	54.2 Å²	54.2	61%	0.613	30%	0.297	S	S	*	.	H	α-helix	trans	-84.5	-6.3	-178.8	53.5	0	0	0	0	114.3	A400 I401 L402 H406	A400-T404 WeakPolarHBondContact O-CB 3.48Å; A400-T404 WeakPolarHBondContact O-CG2 3.2Å; A400-T404 PolarHBondContact O-N 2.85Å; A400-T404 PolarHBondContact O-OG1 3.15Å; I401-T404 PolarHBondContact O-OG1 2.86Å; L402-T404 VanDerWaalsContact C-N 3.32Å; L402-T404 PolarHBondContact O-N 2.76Å; T404-H406 PolarHBondContact O-N 2.88Å
405	S	84.8	Confident	90.1	Very high	23 Å²	23	50.2 Å²	50.2	16%	0.161	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.9	-172.9	68.2	0	0	0	0	115.7	I401 L402 M407	I401-S405 PolarHBondContact O-N 3.41Å; L402-S405 WeakPolarHBondContact O-CB 3.44Å; L402-S405 PolarHBondContact O-N 2.88Å; L402-S405 PolarHBondContact O-OG 3.19Å; S405-M407 PolarHBondContact O-N 3.09Å; S405-M407 PolarHBondContact OG-N 3.43Å
406	H	79	Confident	90.3	Very high	166 Å²	166	51.9 Å²	51.9	77%	0.769	29%	0.292	S	S	*	.			trans	56	9.7	-169.3	-55.5	-65.1	0	0	0	115	T404	T404-H406 PolarHBondContact O-N 2.88Å
407	M	81.3	Confident	90.4	Very high	48 Å²	48	50.6 Å²	50.6	24%	0.236	29%	0.286	C	S	.	.	S	Bend	trans	-87.7	163.4	175.5	-63.4	-63	-71.6	0	0	110.4	A377 S405 I409	A377-M407 VanDerWaalsContact C-CE 3.41Å; A377-M407 HydrophobicContact CB-CE 3.67Å; A377-M407 VanDerWaalsContact O-CE 3.24Å; A377-M407 WeakPolarHBondContact O-CE 3.44Å; S405-M407 PolarHBondContact O-N 3.09Å; S405-M407 PolarHBondContact OG-N 3.43Å; M407-I409 HydrophobicContact CB-CD1 3.71Å; M407-I409 HydrophobicContact CB-CG1 3.78Å; M407-I409 HydrophobicContact CG-CD1 4.43Å; M407-I409 PolarHBondContact O-N 3.28Å
408	K	83.1	Confident	90.6	Very high	65 Å²	65	47.4 Å²	47.4	28%	0.283	27%	0.269	S	S	.	.	S	Bend	trans	-76.2	56.5	175.7	-59.9	178.6	-175.8	-179.3	0	111.3	K383 I386 F441	K383-K408 WeakPolarHBondContact O-CD 3.5Å; K383-K408 PolarHBondContact O-NZ 3.41Å; I386-K408 PolarHBondContact N-O 3.08Å; K408-F441 HydrophobicContact CD-CD2 4.35Å
409	I	91.5	Very high	90.8	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.8	-176.3	-57	171.9	0	0	0	109.7	I373 V374 I386 V388 L402 M407 L443	I373-I409 HydrophobicContact CG2-CD1 4.2Å; V374-I409 HydrophobicContact CG2-CD1 4.03Å; I386-I409 HydrophobicContact CB-CG1 4.2Å; I386-I409 HydrophobicContact CD1-CG1 4.26Å; I386-I409 CarbonylContact O-C 3.53Å; I386-I409 VanDerWaalsContact O-CA 3.3Å; I386-I409 WeakPolarHBondContact O-CA 2.94Å; V388-I409 HydrophobicContact CB-CG2 4.15Å; V388-I409 HydrophobicContact CG2-CG2 3.48Å; V388-I409 VanDerWaalsContact CG2-CG2 3.48Å; L402-I409 HydrophobicContact CB-CG2 4.23Å; L402-I409 HydrophobicContact CD1-CG2 4.38Å; L402-I409 HydrophobicContact CD2-CD1 4.4Å; L402-I409 HydrophobicContact CD2-CG2 4.07Å; L402-I409 HydrophobicContact CG-CG2 4.43Å; M407-I409 HydrophobicContact CB-CD1 3.71Å; M407-I409 HydrophobicContact CB-CG1 3.78Å; M407-I409 HydrophobicContact CG-CD1 4.43Å; M407-I409 PolarHBondContact O-N 3.28Å; I409-L443 WeakPolarHBondContact O-CD1 3.08Å
410	L	92.6	Very high	91.1	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.5	174.7	179	66.6	0	0	0	109.7	I386 V388 M421 L425 L443	I386-L410 PolarHBondContact O-N 3.43Å; V388-L410 PolarHBondContact N-O 3.02Å; L410-M421 HydrophobicContact CD2-CB 3.89Å; L410-M421 HydrophobicContact CD2-CE 3.53Å; L410-M421 HydrophobicContact CD2-CG 3.98Å; L410-L425 HydrophobicContact CD2-CD1 4.36Å; L410-L443 HydrophobicContact CB-CD1 4.15Å; L410-L443 HydrophobicContact CB-CD2 4.39Å; L410-L443 HydrophobicContact CD1-CD2 4.44Å
411	G	92.3	Very high	91.3	Very high	43 Å²	43	47.5 Å²	47.5	44%	0.443	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123	172.6	0	0	0	0	0	111.8	V388	V388-G411 CarbonylContact O-C 3.58Å; V388-G411 WeakPolarHBondContact O-CA 3.17Å
412	C	93.1	Very high	91.5	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	149	173.7	-66.5	0	0	0	0	110.5	V388 E417 A418	V388-C412 PolarHBondContact O-N 2.82Å; C412-E417 HydrophobicContact CB-CG 4.43Å; C412-A418 HydrophobicContact CB-CB 3.75Å
413	S	89.3	Confident	91.8	Very high	57 Å²	57	45.7 Å²	45.7	40%	0.399	25%	0.253	S	S	.	.	S	Bend	trans	-92.6	-39.2	178.1	-63.5	0	0	0	0	111.7	R389 Q391 K399	R389-S413 PolarHBondContact NE-O 3.06Å; Q391-S413 PolarHBondContact NE2-O 3.47Å; K399-S413 PolarHBondContact NZ-OG 3.31Å
414	D	93.1	Very high	92.2	Very high	84 Å²	84	49.8 Å²	49.8	45%	0.449	27%	0.265	S	S	.	.	S	Bend	trans	-100.8	151.5	-178.5	-174.7	61.7	0	0	0	112.6	D416 E417 A418	D414-D416 WeakPolarHBondContact OD2-CA 3.1Å; D414-D416 WeakPolarHBondContact OD2-CB 3.49Å; D414-D416 PolarHBondContact OD2-N 3.22Å; D414-E417 HydrophobicContact CB-CB 4.16Å; D414-E417 PolarHBondContact OD2-N 3.4Å; D414-A418 WeakPolarHBondContact O-CB 3.42Å; D414-A418 PolarHBondContact O-N 3.2Å; D414-A418 VanDerWaalsContact O-N 3.09Å
415	L	94.7	Very high	92.5	Very high	30 Å²	30	45.6 Å²	45.6	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-74.6	-35.7	-179.1	-176.8	56.5	0	0	0	112.3	L309 L316 N358 A418 A419	L309-L415 HydrophobicContact CD1-CD2 4.28Å; L316-L415 HydrophobicContact CD2-CB 4.4Å; L316-L415 HydrophobicContact CD2-CD2 4.27Å; L316-L415 HydrophobicContact CD2-CG 3.69Å; N358-L415 HydrophobicContact CB-CD1 4.17Å; N358-L415 WeakPolarHBondContact ND2-CD1 3.5Å; L415-A418 PolarHBondContact O-N 3.06Å; L415-A419 WeakPolarHBondContact O-CB 3.28Å; L415-A419 PolarHBondContact O-N 2.92Å
416	D	96.4	Very high	93	Very high	57 Å²	57	44.5 Å²	44.5	31%	0.305	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-44	177	-161.9	66.2	0	0	0	110.9	L316 H320 D414 A418 A419 Q420	L316-D416 HydrophobicContact CD2-CB 4.47Å; H320-D416 IonicContact CD2-OD1 3.99Å; H320-D416 IonicContact CE1-OD1 2.75Å; H320-D416 PolarHBondContact CE1-OD1 2.91Å; H320-D416 IonicContact CE1-OD2 3Å; H320-D416 IonicContact NE2-OD1 2.75Å; H320-D416 PolarHBondContact NE2-OD1 3.5Å; H320-D416 IonicContact NE2-OD2 3.28Å; D414-D416 WeakPolarHBondContact OD2-CA 3.1Å; D414-D416 WeakPolarHBondContact OD2-CB 3.49Å; D414-D416 PolarHBondContact OD2-N 3.22Å; D416-A418 PolarHBondContact O-N 3.43Å; D416-A419 PolarHBondContact O-N 3.18Å; D416-Q420 VanDerWaalsContact O-CG 3.3Å; D416-Q420 WeakPolarHBondContact O-CG 3.43Å; D416-Q420 PolarHBondContact O-N 3.33Å; D416-Q420 PolarHBondContact OD2-NE2 3.23Å
417	E	96.1	Very high	93.8	Very high	92 Å²	92	39.9 Å²	39.9	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-57.7	-48.9	171.9	-177.3	-172.1	-160.1	0	0	111.3	C412 D414 A419 Q420 M421	C412-E417 HydrophobicContact CB-CG 4.43Å; D414-E417 HydrophobicContact CB-CB 4.16Å; D414-E417 PolarHBondContact OD2-N 3.4Å; E417-A419 VanDerWaalsContact C-N 3.33Å; E417-A419 PolarHBondContact O-N 3.34Å; E417-Q420 PolarHBondContact O-N 3.24Å; E417-M421 HydrophobicContact CG-CG 4.36Å; E417-M421 WeakPolarHBondContact O-CB 3.49Å; E417-M421 VanDerWaalsContact O-CG 3.3Å; E417-M421 WeakPolarHBondContact O-CG 3.43Å; E417-M421 PolarHBondContact O-N 3.01Å
418	A	97.1	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-41.5	-179.7	0	0	0	0	0	112.1	L356 V387 R389 C412 D414 L415 D416 S422	L356-A418 HydrophobicContact CD1-CB 3.74Å; V387-A418 HydrophobicContact CG1-CB 3.99Å; R389-A418 HydrophobicContact CB-CB 3.89Å; R389-A418 HydrophobicContact CG-CB 4.34Å; C412-A418 HydrophobicContact CB-CB 3.75Å; D414-A418 WeakPolarHBondContact O-CB 3.42Å; D414-A418 PolarHBondContact O-N 3.2Å; D414-A418 VanDerWaalsContact O-N 3.09Å; L415-A418 PolarHBondContact O-N 3.06Å; D416-A418 PolarHBondContact O-N 3.43Å; A418-S422 WeakPolarHBondContact O-CB 3.46Å; A418-S422 PolarHBondContact O-N 2.93Å; A418-S422 PolarHBondContact O-OG 3.22Å
419	A	97.5	Very high	95	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-52.3	174.5	0	0	0	0	0	111.2	L316 L415 D416 E417 M421 S422 V423	L316-A419 HydrophobicContact CB-CB 4.22Å; L316-A419 HydrophobicContact CD2-CB 3.82Å; L316-A419 HydrophobicContact CG-CB 3.74Å; L415-A419 WeakPolarHBondContact O-CB 3.28Å; L415-A419 PolarHBondContact O-N 2.92Å; D416-A419 PolarHBondContact O-N 3.18Å; E417-A419 VanDerWaalsContact C-N 3.33Å; E417-A419 PolarHBondContact O-N 3.34Å; A419-M421 VanDerWaalsContact C-N 3.31Å; A419-M421 PolarHBondContact O-N 2.85Å; A419-S422 PolarHBondContact O-N 3.17Å; A419-S422 VanDerWaalsContact O-N 3.16Å; A419-S422 PolarHBondContact O-OG 2.97Å; A419-V423 WeakPolarHBondContact O-CG2 3.38Å; A419-V423 PolarHBondContact O-N 3.4Å; A419-V423 VanDerWaalsContact O-N 3.07Å
420	Q	97.1	Very high	95	Very high	67 Å²	67	41.9 Å²	41.9	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-54.7	-45	177.3	-72.5	179.9	28.3	0	0	112.6	H320 D416 E417 V423 K424	H320-Q420 WeakPolarHBondContact CE1-CG 3.31Å; H320-Q420 PolarHBondContact CE1-NE2 3.49Å; H320-Q420 WeakPolarHBondContact ND1-CG 3.43Å; D416-Q420 VanDerWaalsContact O-CG 3.3Å; D416-Q420 WeakPolarHBondContact O-CG 3.43Å; D416-Q420 PolarHBondContact O-N 3.33Å; D416-Q420 PolarHBondContact OD2-NE2 3.23Å; E417-Q420 PolarHBondContact O-N 3.24Å; Q420-V423 PolarHBondContact O-N 3.4Å; Q420-K424 WeakPolarHBondContact O-CG 3.5Å; Q420-K424 PolarHBondContact O-N 2.99Å
421	M	96.5	Very high	95.1	Very high	56 Å²	56	45.9 Å²	45.9	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-39.9	180	-69.5	-54.5	-69.8	0	0	112	V387 L410 E417 A419 V423 K424 L425	V387-M421 HydrophobicContact CG1-CB 4.38Å; V387-M421 HydrophobicContact CG2-CB 4.36Å; L410-M421 HydrophobicContact CD2-CB 3.89Å; L410-M421 HydrophobicContact CD2-CE 3.53Å; L410-M421 HydrophobicContact CD2-CG 3.98Å; E417-M421 HydrophobicContact CG-CG 4.36Å; E417-M421 WeakPolarHBondContact O-CB 3.49Å; E417-M421 VanDerWaalsContact O-CG 3.3Å; E417-M421 WeakPolarHBondContact O-CG 3.43Å; E417-M421 PolarHBondContact O-N 3.01Å; A419-M421 VanDerWaalsContact C-N 3.31Å; A419-M421 PolarHBondContact O-N 2.85Å; M421-V423 VanDerWaalsContact C-N 3.32Å; M421-V423 PolarHBondContact O-N 3.44Å; M421-K424 PolarHBondContact O-N 3.12Å; M421-K424 HydrophobicContact SD-CD 4.28Å; M421-L425 WeakPolarHBondContact O-CB 3.3Å; M421-L425 VanDerWaalsContact O-CG 3.27Å; M421-L425 WeakPolarHBondContact O-CG 3.45Å; M421-L425 PolarHBondContact O-N 3.38Å
422	S	97.1	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-41.3	176.1	73.1	0	0	0	0	111.9	A418 A419 A426	A418-S422 WeakPolarHBondContact O-CB 3.46Å; A418-S422 PolarHBondContact O-N 2.93Å; A418-S422 PolarHBondContact O-OG 3.22Å; A419-S422 PolarHBondContact O-N 3.17Å; A419-S422 VanDerWaalsContact O-N 3.16Å; A419-S422 PolarHBondContact O-OG 2.97Å; S422-A426 VanDerWaalsContact O-CB 3.25Å; S422-A426 WeakPolarHBondContact O-CB 3.49Å; S422-A426 PolarHBondContact O-N 3.31Å
423	V	97.6	Very high	95	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-49.1	176.2	178.4	0	0	0	0	111.5	I300 I317 H320 A419 Q420 M421 L425 A426 N427	I300-V423 HydrophobicContact CD1-CB 4.42Å; I300-V423 HydrophobicContact CD1-CG2 3.86Å; I317-V423 HydrophobicContact CG2-CG2 4.29Å; H320-V423 HydrophobicContact CB-CG2 4.02Å; A419-V423 WeakPolarHBondContact O-CG2 3.38Å; A419-V423 PolarHBondContact O-N 3.4Å; A419-V423 VanDerWaalsContact O-N 3.07Å; Q420-V423 PolarHBondContact O-N 3.4Å; M421-V423 VanDerWaalsContact C-N 3.32Å; M421-V423 PolarHBondContact O-N 3.44Å; V423-L425 VanDerWaalsContact C-N 3.34Å; V423-L425 PolarHBondContact O-N 3.43Å; V423-A426 PolarHBondContact O-N 2.96Å; V423-N427 WeakPolarHBondContact O-CB 3.48Å; V423-N427 VanDerWaalsContact O-CG 3.25Å; V423-N427 PolarHBondContact O-N 3.23Å; V423-N427 PolarHBondContact O-ND2 3.49Å
424	K	96.9	Very high	95.1	Very high	114 Å²	114	53 Å²	53	50%	0.496	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-46.7	178.7	-73.1	173.5	-176.9	171.7	0	111.8	Q420 M421 N427 I428	Q420-K424 WeakPolarHBondContact O-CG 3.5Å; Q420-K424 PolarHBondContact O-N 2.99Å; M421-K424 PolarHBondContact O-N 3.12Å; M421-K424 HydrophobicContact SD-CD 4.28Å; K424-N427 PolarHBondContact O-N 2.97Å; K424-I428 WeakPolarHBondContact O-CG1 3.48Å; K424-I428 PolarHBondContact O-N 3.16Å
425	L	95.9	Very high	95.1	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-42.1	179.8	-71.1	168.8	0	0	0	111.8	P385 V387 L410 M421 V423 N427 I428 V429 F441	P385-L425 HydrophobicContact CB-CB 4.23Å; P385-L425 HydrophobicContact CB-CD1 4.07Å; P385-L425 HydrophobicContact CB-CD2 4.49Å; P385-L425 HydrophobicContact CG-CB 3.82Å; V387-L425 HydrophobicContact CG2-CD1 3.63Å; L410-L425 HydrophobicContact CD2-CD1 4.36Å; M421-L425 WeakPolarHBondContact O-CB 3.3Å; M421-L425 VanDerWaalsContact O-CG 3.27Å; M421-L425 WeakPolarHBondContact O-CG 3.45Å; M421-L425 PolarHBondContact O-N 3.38Å; V423-L425 VanDerWaalsContact C-N 3.34Å; V423-L425 PolarHBondContact O-N 3.43Å; L425-N427 VanDerWaalsContact C-N 3.32Å; L425-N427 PolarHBondContact O-N 2.72Å; L425-I428 PolarHBondContact O-N 2.93Å; L425-V429 WeakPolarHBondContact O-CG2 3.39Å; L425-V429 PolarHBondContact O-N 3.24Å; L425-F441 HydrophobicContact CD2-CD1 3.67Å; L425-F441 HydrophobicContact CD2-CE1 3.45Å; L425-F441 VanDerWaalsContact CD2-CE1 3.45Å; L425-F441 HydrophobicContact CD2-CG 4.45Å; L425-F441 HydrophobicContact CD2-CZ 4.07Å
426	A	96	Very high	94.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-42.3	174.8	0	0	0	0	0	112	I300 N353 A354 S422 V423 V429 H430	I300-A426 HydrophobicContact CD1-CB 3.98Å; I300-A426 HydrophobicContact CG1-CB 3.62Å; N353-A426 HydrophobicContact CB-CB 4.09Å; A354-A426 HydrophobicContact CB-CB 3.86Å; S422-A426 VanDerWaalsContact O-CB 3.25Å; S422-A426 WeakPolarHBondContact O-CB 3.49Å; S422-A426 PolarHBondContact O-N 3.31Å; V423-A426 PolarHBondContact O-N 2.96Å; A426-V429 PolarHBondContact O-N 3.16Å; A426-H430 WeakPolarHBondContact O-CB 3.33Å; A426-H430 PolarHBondContact O-N 2.81Å
427	N	95.5	Very high	94.4	Very high	70 Å²	70	58.7 Å²	58.7	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-40.6	177.3	-71.1	-15.1	0	0	0	112.2	V423 K424 L425 H430 L431	V423-N427 WeakPolarHBondContact O-CB 3.48Å; V423-N427 VanDerWaalsContact O-CG 3.25Å; V423-N427 PolarHBondContact O-N 3.23Å; V423-N427 PolarHBondContact O-ND2 3.49Å; K424-N427 PolarHBondContact O-N 2.97Å; L425-N427 VanDerWaalsContact C-N 3.32Å; L425-N427 PolarHBondContact O-N 2.72Å; N427-H430 PolarHBondContact O-N 3.31Å; N427-L431 WeakPolarHBondContact O-CB 3.27Å; N427-L431 VanDerWaalsContact O-CG 3.31Å; N427-L431 WeakPolarHBondContact O-CG 3.43Å; N427-L431 PolarHBondContact O-N 2.81Å
428	I	95.1	Very high	93.8	Very high	77 Å²	77	62.4 Å²	62.4	40%	0.395	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-45.6	175.1	-67.6	164.3	0	0	0	110.6	K424 L425 H430 A432 V439 F441	K424-I428 WeakPolarHBondContact O-CG1 3.48Å; K424-I428 PolarHBondContact O-N 3.16Å; L425-I428 PolarHBondContact O-N 2.93Å; I428-H430 VanDerWaalsContact C-N 3.33Å; I428-H430 PolarHBondContact O-N 3.09Å; I428-A432 VanDerWaalsContact O-CB 3.29Å; I428-A432 WeakPolarHBondContact O-CB 3.25Å; I428-A432 PolarHBondContact O-N 3.14Å; I428-V439 HydrophobicContact CG2-CG1 4.28Å; I428-V439 HydrophobicContact CG2-CG2 4.43Å; I428-F441 HydrophobicContact CB-CE1 4.22Å; I428-F441 HydrophobicContact CB-CZ 4.23Å; I428-F441 HydrophobicContact CD1-CE1 4.21Å; I428-F441 HydrophobicContact CG2-CE1 3.75Å; I428-F441 HydrophobicContact CG2-CZ 3.8Å
429	V	93.5	Very high	93.2	Very high	12 Å²	12	64.7 Å²	64.7	7%	0.073	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-40.5	177.1	173.1	0	0	0	0	111.1	N353 P385 L425 A426 A432 R433 V439 F441	N353-V429 HydrophobicContact CB-CB 4.12Å; N353-V429 HydrophobicContact CB-CG1 3.95Å; P385-V429 HydrophobicContact CG-CG2 4.08Å; L425-V429 WeakPolarHBondContact O-CG2 3.39Å; L425-V429 PolarHBondContact O-N 3.24Å; A426-V429 PolarHBondContact O-N 3.16Å; V429-A432 PolarHBondContact O-N 2.94Å; V429-R433 HydrophobicContact CG1-CG 4.48Å; V429-R433 WeakPolarHBondContact O-CG 3.45Å; V429-R433 PolarHBondContact O-N 3.04Å; V429-V439 HydrophobicContact CG2-CG2 4.37Å; V429-F441 HydrophobicContact CG2-CE2 3.79Å; V429-F441 HydrophobicContact CG2-CZ 3.76Å
430	H	92.6	Very high	92.5	Very high	77 Å²	77	73 Å²	73	36%	0.356	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-53.4	177.2	-178.5	47.9	0	0	0	111.6	A426 N427 I428 A432 R433 E434	A426-H430 WeakPolarHBondContact O-CB 3.33Å; A426-H430 PolarHBondContact O-N 2.81Å; N427-H430 PolarHBondContact O-N 3.31Å; I428-H430 VanDerWaalsContact C-N 3.33Å; I428-H430 PolarHBondContact O-N 3.09Å; H430-A432 VanDerWaalsContact C-N 3.27Å; H430-A432 PolarHBondContact O-N 2.86Å; H430-R433 WeakPolarHBondContact O-CB 3.45Å; H430-R433 PolarHBondContact O-N 3.1Å; H430-R433 VanDerWaalsContact O-N 3.09Å; H430-E434 IonicContact CE1-OE1 2.64Å; H430-E434 IonicContact NE2-OE1 3.66Å; H430-E434 PolarHBondContact NE2-OE1 3.33Å; H430-E434 WeakPolarHBondContact O-CG 3.4Å; H430-E434 PolarHBondContact O-N 3.49Å
431	L	93.4	Very high	91.8	Very high	103 Å²	103	71.6 Å²	71.6	54%	0.539	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-42.4	176.8	-71.9	170.3	0	0	0	111.4	N427 R433 E434 V435	N427-L431 WeakPolarHBondContact O-CB 3.27Å; N427-L431 VanDerWaalsContact O-CG 3.31Å; N427-L431 WeakPolarHBondContact O-CG 3.43Å; N427-L431 PolarHBondContact O-N 2.81Å; L431-R433 PolarHBondContact O-N 2.92Å; L431-E434 PolarHBondContact O-N 3.3Å; L431-V435 WeakPolarHBondContact O-CG2 3.43Å; L431-V435 PolarHBondContact O-N 3.3Å
432	A	93.1	Very high	91.1	Very high	5 Å²	5	77.2 Å²	77.2	4%	0.041	39%	0.393	C	S	.	.	H	α-helix	trans	-61.9	-42.3	177.4	0	0	0	0	0	112.5	I428 V429 H430 V435 A436 I437 V439	I428-A432 VanDerWaalsContact O-CB 3.29Å; I428-A432 WeakPolarHBondContact O-CB 3.25Å; I428-A432 PolarHBondContact O-N 3.14Å; V429-A432 PolarHBondContact O-N 2.94Å; H430-A432 VanDerWaalsContact C-N 3.27Å; H430-A432 PolarHBondContact O-N 2.86Å; A432-V435 PolarHBondContact O-N 3.18Å; A432-A436 PolarHBondContact O-N 3.23Å; A432-A436 VanDerWaalsContact O-N 3.11Å; A432-I437 CarbonylContact C-O 3.6Å; A432-I437 HydrophobicContact CB-CD1 4.49Å; A432-I437 HydrophobicContact CB-CG1 3.83Å; A432-I437 PolarHBondContact O-N 3.35Å; A432-V439 HydrophobicContact CB-CB 4.33Å; A432-V439 HydrophobicContact CB-CG1 3.56Å; A432-V439 HydrophobicContact CB-CG2 3.87Å
433	R	90.6	Very high	90	Very high	124 Å²	124	79.1 Å²	79.1	47%	0.468	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-40.3	175.9	-74.3	176.6	178.9	-170.1	-0.6	111.9	P350 V352 N353 V429 H430 L431 V435 A436	P350-R433 PolarHBondContact O-NH1 3.06Å; V352-R433 PolarHBondContact O-NH2 3.42Å; N353-R433 PolarHBondContact OD1-NE 2.86Å; N353-R433 PolarHBondContact OD1-NH1 2.92Å; V429-R433 HydrophobicContact CG1-CG 4.48Å; V429-R433 WeakPolarHBondContact O-CG 3.45Å; V429-R433 PolarHBondContact O-N 3.04Å; H430-R433 WeakPolarHBondContact O-CB 3.45Å; H430-R433 PolarHBondContact O-N 3.1Å; H430-R433 VanDerWaalsContact O-N 3.09Å; L431-R433 PolarHBondContact O-N 2.92Å; R433-V435 VanDerWaalsContact C-N 3.29Å; R433-V435 PolarHBondContact O-N 3.33Å; R433-A436 PolarHBondContact O-N 3.21Å; R433-A436 VanDerWaalsContact O-N 3.14Å
434	E	91	Very high	88.7	Confident	126 Å²	126	83.9 Å²	83.9	59%	0.589	43%	0.434	S	S	*	.	H	α-helix	trans	-61.5	-36.1	178.3	-72	-173.4	140.1	0	0	112.9	H430 L431	H430-E434 IonicContact CE1-OE1 2.64Å; H430-E434 IonicContact NE2-OE1 3.66Å; H430-E434 PolarHBondContact NE2-OE1 3.33Å; H430-E434 WeakPolarHBondContact O-CG 3.4Å; H430-E434 PolarHBondContact O-N 3.49Å; L431-E434 PolarHBondContact O-N 3.3Å
435	V	92.7	Very high	86.9	Confident	98 Å²	98	89.3 Å²	89.3	59%	0.594	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	11.6	176.9	-56.2	0	0	0	0	113.6	L431 A432 R433 I437	L431-V435 WeakPolarHBondContact O-CG2 3.43Å; L431-V435 PolarHBondContact O-N 3.3Å; A432-V435 PolarHBondContact O-N 3.18Å; R433-V435 VanDerWaalsContact C-N 3.29Å; R433-V435 PolarHBondContact O-N 3.33Å; V435-I437 VanDerWaalsContact C-N 3.26Å; V435-I437 HydrophobicContact CG2-CB 4.28Å; V435-I437 HydrophobicContact CG2-CD1 3.7Å; V435-I437 HydrophobicContact CG2-CG1 3.65Å; V435-I437 HydrophobicContact CG2-CG2 3.95Å; V435-I437 PolarHBondContact O-N 2.96Å
436	A	89.4	Confident	86.4	Confident	95 Å²	95	93.2 Å²	93.2	79%	0.785	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.8	-180	0	0	0	0	0	115	A432 R433	A432-A436 PolarHBondContact O-N 3.23Å; A432-A436 VanDerWaalsContact O-N 3.11Å; R433-A436 PolarHBondContact O-N 3.21Å; R433-A436 VanDerWaalsContact O-N 3.14Å
437	I	88.9	Confident	85.9	Confident	97 Å²	97	98.1 Å²	98.1	50%	0.497	50%	0.497	S	S	.	.			trans	-105	151.6	173.6	71.8	-177.9	0	0	0	111.4	A432 V435	A432-I437 CarbonylContact C-O 3.6Å; A432-I437 HydrophobicContact CB-CD1 4.49Å; A432-I437 HydrophobicContact CB-CG1 3.83Å; A432-I437 PolarHBondContact O-N 3.35Å; V435-I437 VanDerWaalsContact C-N 3.26Å; V435-I437 HydrophobicContact CG2-CB 4.28Å; V435-I437 HydrophobicContact CG2-CD1 3.7Å; V435-I437 HydrophobicContact CG2-CG1 3.65Å; V435-I437 HydrophobicContact CG2-CG2 3.95Å; V435-I437 PolarHBondContact O-N 2.96Å
438	N	82.9	Confident	85.4	Confident	170 Å²	170	99.7 Å²	99.7	91%	0.909	50%	0.504	S	S	*	.			trans	-93	129.7	170.8	-75.4	-44.7	0	0	0	110.4
439	V	83.6	Confident	84.8	Confident	47 Å²	47	101 Å²	101	29%	0.285	51%	0.511	S	S	.	.			trans	-101.4	131.3	172	-72.7	0	0	0	0	110.9	I428 V429 A432 F441	I428-V439 HydrophobicContact CG2-CG1 4.28Å; I428-V439 HydrophobicContact CG2-CG2 4.43Å; V429-V439 HydrophobicContact CG2-CG2 4.37Å; A432-V439 HydrophobicContact CB-CB 4.33Å; A432-V439 HydrophobicContact CB-CG1 3.56Å; A432-V439 HydrophobicContact CB-CG2 3.87Å; V439-F441 HydrophobicContact CG2-CE2 3.88Å; V439-F441 HydrophobicContact CG2-CZ 3.94Å
440	K	82.8	Confident	84.3	Confident	175 Å²	175	106.6 Å²	106.6	76%	0.761	54%	0.538	S	S	*	.			trans	-108.6	121.4	169	-169.8	-177.6	178.2	-167.5	0	107.7
441	F	82.5	Confident	83.7	Confident	37 Å²	37	108.5 Å²	108.5	16%	0.162	55%	0.55	C	S	.	*			trans	-86.7	135.3	177	-63	-81	0	0	0	109.7	P385 K408 L425 I428 V429 V439	P385-F441 HydrophobicContact CB-CE2 4.43Å; P385-F441 HydrophobicContact CG-CE2 4.08Å; P385-F441 HydrophobicContact CG-CZ 4.43Å; K408-F441 HydrophobicContact CD-CD2 4.35Å; L425-F441 HydrophobicContact CD2-CD1 3.67Å; L425-F441 HydrophobicContact CD2-CE1 3.45Å; L425-F441 VanDerWaalsContact CD2-CE1 3.45Å; L425-F441 HydrophobicContact CD2-CG 4.45Å; L425-F441 HydrophobicContact CD2-CZ 4.07Å; I428-F441 HydrophobicContact CB-CE1 4.22Å; I428-F441 HydrophobicContact CB-CZ 4.23Å; I428-F441 HydrophobicContact CD1-CE1 4.21Å; I428-F441 HydrophobicContact CG2-CE1 3.75Å; I428-F441 HydrophobicContact CG2-CZ 3.8Å; V429-F441 HydrophobicContact CG2-CE2 3.79Å; V429-F441 HydrophobicContact CG2-CZ 3.76Å; V439-F441 HydrophobicContact CG2-CE2 3.88Å; V439-F441 HydrophobicContact CG2-CZ 3.94Å
442	E	81.4	Confident	83	Confident	174 Å²	174	108.9 Å²	108.9	81%	0.813	55%	0.551	S	S	*	*			trans	-111.1	113.2	164.7	-66.9	-177.3	176	0	0	106.4
443	L	75.1	Confident	82.2	Confident	41 Å²	41	116.9 Å²	116.9	22%	0.215	59%	0.59	C	S	.	*			trans	-95.5	145.2	-175.1	-62.9	173.8	0	0	0	109.7	I409 L410	I409-L443 WeakPolarHBondContact O-CD1 3.08Å; L410-L443 HydrophobicContact CB-CD1 4.15Å; L410-L443 HydrophobicContact CB-CD2 4.39Å; L410-L443 HydrophobicContact CD1-CD2 4.44Å
444	P	69.9	Low	81.6	Confident	107 Å²	107	116.3 Å²	116.3	70%	0.695	60%	0.6	S	S	*	*			trans	-65.8	136.4	170.4	28.8	-32.5	0	0	0	109.5
445	Y	58.5	Low	80.7	Confident	229 Å²	229	115.5 Å²	115.5	90%	0.898	60%	0.601	S	S	*	*			trans	-87.2	0	177.5	-65.6	-77.2	0	0	0	112.2	A403	A403-Y445 HydrophobicContact CB-CD1 4.49Å; A403-Y445 WeakPolarHBondContact O-CD1 3.25Å; A403-Y445 VanDerWaalsContact O-CE1 3.28Å; A403-Y445 WeakPolarHBondContact O-CE1 3.39Å

Retrieved 445 of 445 residues in 708.4 ms (Link to these results)

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