A0A087X7I7_POEFO Loading...

Elongator complex protein 3

Catalytic tRNA acetyltransferase subunit of the elongator complex, which is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine). In the elongator complex, acts as a tRNA uridine(34) acetyltransferase by mediating formation of carboxymethyluridine in the wobble base at position 34 in tRNAs.

AlphaFold DB , UniProt , Accession A0A087X7I7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 553 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	54.5	Low	249 Å²	249	131 Å²	131	100%	1.227	70%	0.7	S	S	*	*				0	106.7	0	-75.7	174.3	166.4	0	0	108.3
2	G	41.3	Very low	56.9	Low	80 Å²	80	132.6 Å²	132.6	83%	0.825	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-74	136	179.4	0	0	0	0	0	111.2
3	K	41.3	Very low	59	Low	198 Å²	198	127.4 Å²	127.4	86%	0.861	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-55.3	144	175.5	-73.6	178	176	176.3	0	110.8	K5	K3-K5 PolarHBondContact O-N 3.47Å
4	P	46.3	Very low	60.9	Low	126 Å²	126	123.3 Å²	123.3	82%	0.818	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-64.1	121.3	175.4	25.7	-31.3	0	0	0	109.8
5	K	47.3	Very low	62.7	Low	131 Å²	131	117.6 Å²	117.6	57%	0.57	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-58.5	135.6	175	-75.9	-175.9	176.9	-178.5	0	109.8	K3 D9 E14	K3-K5 PolarHBondContact O-N 3.47Å; K5-D9 HydrophobicContact CB-CB 4.41Å; K5-D9 HydrophobicContact CD-CB 4.41Å; K5-E14 IonicContact NZ-OE1 3.1Å
6	K	52	Low	64.2	Low	165 Å²	165	112.9 Å²	112.9	72%	0.717	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-61.8	149	170.3	-79.5	179.5	175.7	178.4	0	109.1	S8 D9	K6-S8 PolarHBondContact O-N 3.19Å; K6-D9 PolarHBondContact O-N 3.39Å
7	K	52.8	Low	65.6	Low	191 Å²	191	114 Å²	114	83%	0.83	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-50.8	-20.9	178.5	-104	-176.7	175.5	-177.1	0	114.2
8	S	54.7	Low	66.9	Low	100 Å²	100	112.4 Å²	112.4	70%	0.699	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-79.5	-13.2	178.2	57.1	0	0	0	0	115.2	K6	K6-S8 PolarHBondContact O-N 3.19Å
9	D	63	Low	68.2	Low	103 Å²	103	106.5 Å²	106.5	55%	0.551	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-106.1	11	-176.4	-68.7	-26.6	0	0	0	113.6	K5 K6	K5-D9 HydrophobicContact CB-CB 4.41Å; K5-D9 HydrophobicContact CD-CB 4.41Å; K6-D9 PolarHBondContact O-N 3.39Å
10	I	76.9	Confident	69.3	Low	43 Å²	43	102 Å²	102	22%	0.221	54%	0.535	C	S	.	.			trans	-94.4	120.8	-178.9	-52.2	178.6	0	0	0	108.2	E14 L15	I10-E14 HydrophobicContact CG2-CB 3.49Å; I10-E14 VanDerWaalsContact CG2-CB 3.49Å; I10-L15 HydrophobicContact CB-CD2 4.23Å; I10-L15 HydrophobicContact CB-CG 4.31Å; I10-L15 HydrophobicContact CG2-CD2 3.82Å; I10-L15 HydrophobicContact CG2-CG 3.79Å
11	S	85.1	Confident	70.3	Confident	55 Å²	55	100 Å²	100	39%	0.385	53%	0.533	S	S	.	.			trans	-64.6	155.3	178.2	67.1	0	0	0	0	111.6	A13 E14 L15	S11-A13 PolarHBondContact O-N 3.47Å; S11-E14 WeakPolarHBondContact CB-OE2 3.38Å; S11-E14 PolarHBondContact N-OE2 3.04Å; S11-E14 PolarHBondContact O-N 3.5Å; S11-E14 VanDerWaalsContact O-N 3.08Å; S11-E14 WeakPolarHBondContact OG-CB 3.43Å; S11-E14 VanDerWaalsContact OG-CD 3.31Å; S11-E14 VanDerWaalsContact OG-CG 3.26Å; S11-E14 WeakPolarHBondContact OG-CG 3.41Å; S11-E14 PolarHBondContact OG-N 3.01Å; S11-E14 PolarHBondContact OG-OE2 3.19Å; S11-L15 PolarHBondContact O-N 3.46Å
12	R	83.7	Confident	72.8	Confident	150 Å²	150	89.2 Å²	89.2	57%	0.566	48%	0.48	S	S	*	.	H	α-helix	trans	-55.1	-35.3	175.2	-172.7	-179.9	-176.8	160.8	12.6	112.5	M16 L52 E53	R12-M16 WeakPolarHBondContact O-CB 3.43Å; R12-M16 PolarHBondContact O-N 3.32Å; R12-L52 HydrophobicContact CG-CD2 4.44Å; R12-E53 IonicContact CZ-OE2 3.75Å; R12-E53 IonicContact NH1-OE2 3.74Å; R12-E53 IonicContact NH2-OE2 2.81Å; R12-E53 PolarHBondContact NH2-OE2 2.85Å
13	A	83.6	Confident	75.2	Confident	65 Å²	65	85.4 Å²	85.4	54%	0.537	44%	0.441	S	S	.	.	H	α-helix	trans	-68.4	-43	177.7	0	0	0	0	0	112	S11 M16 M17	S11-A13 PolarHBondContact O-N 3.47Å; A13-M16 PolarHBondContact O-N 3.04Å; A13-M17 PolarHBondContact O-N 3.04Å
14	E	85.6	Confident	77.5	Confident	70 Å²	70	76.7 Å²	76.7	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-63.3	-43.4	174.6	-73.4	163.4	137.2	0	0	111	K5 I10 S11 M16 M17 M18	K5-E14 IonicContact NZ-OE1 3.1Å; I10-E14 HydrophobicContact CG2-CB 3.49Å; I10-E14 VanDerWaalsContact CG2-CB 3.49Å; S11-E14 WeakPolarHBondContact CB-OE2 3.38Å; S11-E14 PolarHBondContact N-OE2 3.04Å; S11-E14 PolarHBondContact O-N 3.5Å; S11-E14 VanDerWaalsContact O-N 3.08Å; S11-E14 WeakPolarHBondContact OG-CB 3.43Å; S11-E14 VanDerWaalsContact OG-CD 3.31Å; S11-E14 VanDerWaalsContact OG-CG 3.26Å; S11-E14 WeakPolarHBondContact OG-CG 3.41Å; S11-E14 PolarHBondContact OG-N 3.01Å; S11-E14 PolarHBondContact OG-OE2 3.19Å; E14-M16 VanDerWaalsContact C-N 3.32Å; E14-M16 PolarHBondContact O-N 3.31Å; E14-M17 PolarHBondContact O-N 3.45Å; E14-M18 VanDerWaalsContact O-CG 3.31Å; E14-M18 WeakPolarHBondContact O-CG 3.47Å; E14-M18 PolarHBondContact O-N 2.86Å
15	L	87.6	Confident	79.7	Confident	38 Å²	38	76.7 Å²	76.7	20%	0.199	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-39.9	174.7	-69.9	174.1	0	0	0	112.4	I10 S11 M18 T19 Y50 L52	I10-L15 HydrophobicContact CB-CD2 4.23Å; I10-L15 HydrophobicContact CB-CG 4.31Å; I10-L15 HydrophobicContact CG2-CD2 3.82Å; I10-L15 HydrophobicContact CG2-CG 3.79Å; S11-L15 PolarHBondContact O-N 3.46Å; L15-M18 PolarHBondContact O-N 3.39Å; L15-T19 WeakPolarHBondContact O-CB 3.3Å; L15-T19 PolarHBondContact O-N 3.39Å; L15-T19 PolarHBondContact O-OG1 3.28Å; L15-Y50 HydrophobicContact CD2-CD1 4.45Å; L15-L52 HydrophobicContact CB-CD2 4.13Å
16	M	88.1	Confident	81.7	Confident	42 Å²	42	72.9 Å²	72.9	21%	0.207	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-44.7	174.7	-173.5	62.9	71.8	0	0	111.6	R12 A13 E14 T19 I20 L52 P56	R12-M16 WeakPolarHBondContact O-CB 3.43Å; R12-M16 PolarHBondContact O-N 3.32Å; A13-M16 PolarHBondContact O-N 3.04Å; E14-M16 VanDerWaalsContact C-N 3.32Å; E14-M16 PolarHBondContact O-N 3.31Å; M16-T19 WeakPolarHBondContact O-CB 3.47Å; M16-T19 PolarHBondContact O-N 2.98Å; M16-I20 HydrophobicContact CG-CD1 4Å; M16-I20 VanDerWaalsContact O-CG1 3.3Å; M16-I20 WeakPolarHBondContact O-CG1 3.4Å; M16-I20 PolarHBondContact O-N 3.37Å; M16-I20 HydrophobicContact SD-CD1 4.45Å; M16-L52 HydrophobicContact CE-CD1 3.98Å; M16-L52 HydrophobicContact CE-CD2 4.25Å; M16-L52 HydrophobicContact SD-CD1 3.94Å; M16-P56 HydrophobicContact SD-CB 3.84Å
17	M	88.1	Confident	83.5	Confident	132 Å²	132	65.5 Å²	65.5	65%	0.65	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-43	176.6	-73.7	-152.3	-82.9	0	0	112.3	A13 E14 T19 I20 A21	A13-M17 PolarHBondContact O-N 3.04Å; E14-M17 PolarHBondContact O-N 3.45Å; M17-T19 VanDerWaalsContact C-N 3.32Å; M17-T19 PolarHBondContact O-N 3.13Å; M17-I20 PolarHBondContact O-N 2.9Å; M17-A21 WeakPolarHBondContact O-CB 3.5Å; M17-A21 PolarHBondContact O-N 3.32Å
18	M	88.7	Confident	85.3	Confident	85 Å²	85	57.2 Å²	57.2	42%	0.419	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-41.4	175.1	-68.9	179.2	80.9	0	0	111.8	E14 L15 A21 D22 Y50	E14-M18 VanDerWaalsContact O-CG 3.31Å; E14-M18 WeakPolarHBondContact O-CG 3.47Å; E14-M18 PolarHBondContact O-N 2.86Å; L15-M18 PolarHBondContact O-N 3.39Å; M18-A21 PolarHBondContact O-N 3.11Å; M18-D22 WeakPolarHBondContact O-CB 3.46Å; M18-D22 PolarHBondContact O-N 3.11Å; M18-Y50 HydrophobicContact CB-CD1 4.26Å; M18-Y50 HydrophobicContact CB-CE1 3.89Å; M18-Y50 HydrophobicContact CE-CE1 4Å
19	T	90.8	Very high	87	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.6	-58.9	0	0	0	0	111	L15 M16 M17 D22 V23 T46 Y50 L52 P56	L15-T19 WeakPolarHBondContact O-CB 3.3Å; L15-T19 PolarHBondContact O-N 3.39Å; L15-T19 PolarHBondContact O-OG1 3.28Å; M16-T19 WeakPolarHBondContact O-CB 3.47Å; M16-T19 PolarHBondContact O-N 2.98Å; M17-T19 VanDerWaalsContact C-N 3.32Å; M17-T19 PolarHBondContact O-N 3.13Å; T19-D22 PolarHBondContact O-N 3.06Å; T19-V23 VanDerWaalsContact O-CG2 3.29Å; T19-V23 WeakPolarHBondContact O-CG2 3.31Å; T19-V23 PolarHBondContact O-N 3Å; T19-T46 HydrophobicContact CG2-CG2 3.88Å; T19-Y50 HydrophobicContact CG2-CD2 4.41Å; T19-Y50 WeakPolarHBondContact OG1-CB 3.36Å; T19-Y50 VanDerWaalsContact OG1-CD2 3.31Å; T19-Y50 WeakPolarHBondContact OG1-CD2 3.4Å; T19-L52 HydrophobicContact CG2-CD1 3.9Å; T19-L52 WeakPolarHBondContact OG1-CD1 3.38Å; T19-P56 HydrophobicContact CG2-CG 4.22Å
20	I	90.2	Very high	88.2	Confident	17 Å²	17	51.8 Å²	51.8	9%	0.087	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-45.5	178.2	-68.8	163	0	0	0	110.6	M16 M17 D22 V23 I24 P56 D60 A64	M16-I20 HydrophobicContact CG-CD1 4Å; M16-I20 VanDerWaalsContact O-CG1 3.3Å; M16-I20 WeakPolarHBondContact O-CG1 3.4Å; M16-I20 PolarHBondContact O-N 3.37Å; M16-I20 HydrophobicContact SD-CD1 4.45Å; M17-I20 PolarHBondContact O-N 2.9Å; I20-D22 VanDerWaalsContact C-N 3.34Å; I20-D22 PolarHBondContact O-N 3.18Å; I20-V23 PolarHBondContact O-N 2.81Å; I20-I24 HydrophobicContact CG2-CD1 3.85Å; I20-I24 WeakPolarHBondContact O-CG1 3.34Å; I20-I24 PolarHBondContact O-N 3.24Å; I20-P56 HydrophobicContact CD1-CB 4.33Å; I20-P56 HydrophobicContact CG1-CB 3.7Å; I20-D60 HydrophobicContact CD1-CB 3.73Å; I20-A64 HydrophobicContact CG2-CB 3.54Å
21	A	90.4	Very high	88.6	Confident	60 Å²	60	52.6 Å²	52.6	50%	0.496	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-42.7	178.4	0	0	0	0	0	112.2	M17 M18 I24 K25	M17-A21 WeakPolarHBondContact O-CB 3.5Å; M17-A21 PolarHBondContact O-N 3.32Å; M18-A21 PolarHBondContact O-N 3.11Å; A21-I24 PolarHBondContact O-N 2.94Å; A21-K25 WeakPolarHBondContact O-CB 3.48Å; A21-K25 PolarHBondContact O-N 3.42Å
22	D	91.3	Very high	88.8	Confident	23 Å²	23	55.8 Å²	55.8	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-37.1	178.9	-166.8	30.3	0	0	0	112.2	M18 T19 I20 I24 K25 Q26 T46 K49 Y50	M18-D22 WeakPolarHBondContact O-CB 3.46Å; M18-D22 PolarHBondContact O-N 3.11Å; T19-D22 PolarHBondContact O-N 3.06Å; I20-D22 VanDerWaalsContact C-N 3.34Å; I20-D22 PolarHBondContact O-N 3.18Å; D22-I24 VanDerWaalsContact C-N 3.34Å; D22-I24 PolarHBondContact O-N 3.23Å; D22-K25 PolarHBondContact O-N 2.72Å; D22-Q26 WeakPolarHBondContact O-CG 3.28Å; D22-Q26 PolarHBondContact O-N 2.91Å; D22-Q26 VanDerWaalsContact O-N 3.1Å; D22-Q26 PolarHBondContact O-NE2 3.48Å; D22-T46 HydrophobicContact CB-CG2 3.8Å; D22-T46 WeakPolarHBondContact OD2-CG2 3.47Å; D22-K49 IonicContact OD1-NZ 3.25Å; D22-K49 IonicContact OD2-NZ 3Å; D22-K49 PolarHBondContact OD2-NZ 2.98Å; D22-Y50 HydrophobicContact CB-CE2 3.93Å
23	V	91.2	Very high	89	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-45.9	171	169.8	0	0	0	0	110.6	T19 I20 Q26 L27 L39 V42 T46 I61	T19-V23 VanDerWaalsContact O-CG2 3.29Å; T19-V23 WeakPolarHBondContact O-CG2 3.31Å; T19-V23 PolarHBondContact O-N 3Å; I20-V23 PolarHBondContact O-N 2.81Å; V23-Q26 PolarHBondContact O-N 2.84Å; V23-L27 HydrophobicContact CG1-CD1 4.02Å; V23-L27 HydrophobicContact CG1-CG 4.49Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.23Å; V23-L27 PolarHBondContact O-N 3.01Å; V23-L39 HydrophobicContact CG1-CD1 4.3Å; V23-V42 HydrophobicContact CB-CG1 4.5Å; V23-V42 HydrophobicContact CG1-CG1 4.16Å; V23-V42 HydrophobicContact CG2-CG1 4.27Å; V23-T46 HydrophobicContact CG2-CG2 3.94Å; V23-I61 HydrophobicContact CG1-CD1 4.29Å; V23-I61 HydrophobicContact CG1-CG2 4.37Å
24	I	90.5	Very high	89	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-42.4	-179.4	-71.4	171	0	0	0	111.4	I20 A21 D22 Q26 L27 V28 I61 A64 P66	I20-I24 HydrophobicContact CG2-CD1 3.85Å; I20-I24 WeakPolarHBondContact O-CG1 3.34Å; I20-I24 PolarHBondContact O-N 3.24Å; A21-I24 PolarHBondContact O-N 2.94Å; D22-I24 VanDerWaalsContact C-N 3.34Å; D22-I24 PolarHBondContact O-N 3.23Å; I24-Q26 VanDerWaalsContact C-N 3.31Å; I24-Q26 PolarHBondContact O-N 3.35Å; I24-L27 WeakPolarHBondContact O-CB 3.42Å; I24-L27 PolarHBondContact O-N 3.14Å; I24-L27 VanDerWaalsContact O-N 3.11Å; I24-V28 HydrophobicContact CG2-CG2 4.34Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.45Å; I24-I61 HydrophobicContact CG1-CG2 4.33Å; I24-A64 HydrophobicContact CD1-CB 3.3Å; I24-A64 WeakPolarHBondContact CD1-O 3.44Å; I24-P66 HydrophobicContact CG2-CG 4.31Å
25	K	91.4	Very high	89	Confident	126 Å²	126	57.1 Å²	57.1	55%	0.548	30%	0.301	S	S	.	.	H	α-helix	trans	-55.9	-47.8	175.8	-174.3	-180	175.3	-175.7	0	111.1	A21 D22 L27 V28 E29	A21-K25 WeakPolarHBondContact O-CB 3.48Å; A21-K25 PolarHBondContact O-N 3.42Å; D22-K25 PolarHBondContact O-N 2.72Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-L27 PolarHBondContact O-N 3.44Å; K25-V28 PolarHBondContact O-N 3.41Å; K25-E29 WeakPolarHBondContact CE-OE1 3.48Å; K25-E29 IonicContact NZ-OE1 3.19Å; K25-E29 WeakPolarHBondContact O-CG 3.44Å; K25-E29 PolarHBondContact O-N 3Å
26	Q	90.8	Very high	88.5	Confident	51 Å²	51	63.3 Å²	63.3	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-36.3	176.9	-71.2	174.4	60.1	0	0	112.8	D22 V23 I24 A30 V42 T46	D22-Q26 WeakPolarHBondContact O-CG 3.28Å; D22-Q26 PolarHBondContact O-N 2.91Å; D22-Q26 VanDerWaalsContact O-N 3.1Å; D22-Q26 PolarHBondContact O-NE2 3.48Å; V23-Q26 PolarHBondContact O-N 2.84Å; I24-Q26 VanDerWaalsContact C-N 3.31Å; I24-Q26 PolarHBondContact O-N 3.35Å; Q26-A30 VanDerWaalsContact O-CB 3.23Å; Q26-A30 WeakPolarHBondContact O-CB 3.3Å; Q26-A30 PolarHBondContact O-N 3.02Å; Q26-V42 HydrophobicContact CB-CG1 4.37Å; Q26-T46 PolarHBondContact NE2-OG1 3.29Å; Q26-T46 VanDerWaalsContact NE2-OG1 3.16Å
27	L	89.5	Confident	88.3	Confident	11 Å²	11	63.7 Å²	63.7	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-68.5	-38.6	176.1	-69.6	170	0	0	0	112.5	V23 I24 K25 H31 I37 L39 I61 L73 L77	V23-L27 HydrophobicContact CG1-CD1 4.02Å; V23-L27 HydrophobicContact CG1-CG 4.49Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.23Å; V23-L27 PolarHBondContact O-N 3.01Å; I24-L27 WeakPolarHBondContact O-CB 3.42Å; I24-L27 PolarHBondContact O-N 3.14Å; I24-L27 VanDerWaalsContact O-N 3.11Å; K25-L27 VanDerWaalsContact C-N 3.32Å; K25-L27 PolarHBondContact O-N 3.44Å; L27-H31 WeakPolarHBondContact O-CB 3.42Å; L27-H31 PolarHBondContact O-N 3.15Å; L27-I37 HydrophobicContact CD2-CD1 4.07Å; L27-I37 HydrophobicContact CD2-CG1 4.27Å; L27-I37 HydrophobicContact CD2-CG2 4.19Å; L27-L39 HydrophobicContact CD1-CD1 4.02Å; L27-L39 HydrophobicContact CD2-CD1 4.17Å; L27-I61 HydrophobicContact CD1-CG2 4.34Å; L27-L73 HydrophobicContact CB-CD1 4.39Å; L27-L73 HydrophobicContact CB-CD2 4.49Å; L27-L77 HydrophobicContact CD1-CD1 4.29Å; L27-L77 HydrophobicContact CD1-CD2 3.97Å
28	V	89.5	Confident	88.1	Confident	16 Å²	16	61.6 Å²	61.6	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-50.5	175.8	170.3	0	0	0	0	110.3	I24 K25 A30 H31 E32 Y69 L73	I24-V28 HydrophobicContact CG2-CG2 4.34Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.45Å; K25-V28 PolarHBondContact O-N 3.41Å; V28-A30 VanDerWaalsContact C-N 3.31Å; V28-A30 PolarHBondContact O-N 3.12Å; V28-H31 WeakPolarHBondContact O-CB 3.35Å; V28-H31 PolarHBondContact O-N 2.99Å; V28-H31 VanDerWaalsContact O-N 3.08Å; V28-E32 HydrophobicContact CG1-CG 4.49Å; V28-E32 WeakPolarHBondContact O-CG 3.48Å; V28-E32 PolarHBondContact O-N 2.8Å; V28-Y69 HydrophobicContact CG1-CD1 4.3Å; V28-Y69 HydrophobicContact CG1-CD2 4.27Å; V28-Y69 HydrophobicContact CG1-CE1 3.72Å; V28-Y69 HydrophobicContact CG1-CE2 3.71Å; V28-Y69 VanDerWaalsContact CG1-CZ 3.41Å; V28-Y69 HydrophobicContact CG2-CD1 4.38Å; V28-Y69 HydrophobicContact CG2-CD2 3.82Å; V28-Y69 HydrophobicContact CG2-CE2 4.07Å; V28-Y69 HydrophobicContact CG2-CG 4.01Å; V28-L73 HydrophobicContact CG2-CD1 3.88Å
29	E	90.5	Very high	87.9	Confident	79 Å²	79	59.2 Å²	59.2	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-42.8	177.7	-72.9	173.5	-179.9	0	0	111.8	K25 H31 E32 Q33	K25-E29 WeakPolarHBondContact CE-OE1 3.48Å; K25-E29 IonicContact NZ-OE1 3.19Å; K25-E29 WeakPolarHBondContact O-CG 3.44Å; K25-E29 PolarHBondContact O-N 3Å; E29-H31 VanDerWaalsContact C-N 3.33Å; E29-H31 PolarHBondContact O-N 3.43Å; E29-E32 PolarHBondContact O-N 3.02Å; E29-Q33 WeakPolarHBondContact O-CB 3.39Å; E29-Q33 VanDerWaalsContact O-CG 3.23Å; E29-Q33 WeakPolarHBondContact O-CG 3.2Å; E29-Q33 PolarHBondContact O-N 3.15Å
30	A	88.1	Confident	87.6	Confident	11 Å²	11	64 Å²	64	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-39.5	176.4	0	0	0	0	0	112	Q26 V28 Q33 G34 K35 I37	Q26-A30 VanDerWaalsContact O-CB 3.23Å; Q26-A30 WeakPolarHBondContact O-CB 3.3Å; Q26-A30 PolarHBondContact O-N 3.02Å; V28-A30 VanDerWaalsContact C-N 3.31Å; V28-A30 PolarHBondContact O-N 3.12Å; A30-Q33 PolarHBondContact O-N 3.24Å; A30-G34 PolarHBondContact O-N 2.7Å; A30-G34 VanDerWaalsContact O-N 3.11Å; A30-K35 PolarHBondContact O-N 2.88Å; A30-I37 HydrophobicContact CB-CB 4.08Å; A30-I37 HydrophobicContact CB-CD1 4.14Å; A30-I37 HydrophobicContact CB-CG2 3.54Å
31	H	86.6	Confident	87.5	Confident	60 Å²	60	70.6 Å²	70.6	28%	0.278	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-45.8	176.6	176.1	36.7	0	0	0	112.3	L27 V28 E29 Q33 G34 V72 L73	L27-H31 WeakPolarHBondContact O-CB 3.42Å; L27-H31 PolarHBondContact O-N 3.15Å; V28-H31 WeakPolarHBondContact O-CB 3.35Å; V28-H31 PolarHBondContact O-N 2.99Å; V28-H31 VanDerWaalsContact O-N 3.08Å; E29-H31 VanDerWaalsContact C-N 3.33Å; E29-H31 PolarHBondContact O-N 3.43Å; H31-Q33 PolarHBondContact O-N 3.36Å; H31-G34 PolarHBondContact O-N 3.01Å; H31-V72 WeakPolarHBondContact CE1-CG1 3.4Å; H31-V72 WeakPolarHBondContact NE2-CG1 3.03Å; H31-L73 HydrophobicContact CB-CD2 4.19Å
32	E	88.2	Confident	87.4	Confident	121 Å²	121	68.3 Å²	68.3	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-63.5	-32.3	178.2	-70.7	176.4	170.3	0	0	112.1	V28 E29 G34 Y69	V28-E32 HydrophobicContact CG1-CG 4.49Å; V28-E32 WeakPolarHBondContact O-CG 3.48Å; V28-E32 PolarHBondContact O-N 2.8Å; E29-E32 PolarHBondContact O-N 3.02Å; E32-G34 VanDerWaalsContact C-N 3.32Å; E32-Y69 PolarHBondContact OE1-OH 2.92Å
33	Q	89.4	Confident	87.3	Confident	112 Å²	112	68.3 Å²	68.3	52%	0.523	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.3	174.9	-66.5	174.1	23.7	0	0	114	E29 A30 H31 K35	E29-Q33 WeakPolarHBondContact O-CB 3.39Å; E29-Q33 VanDerWaalsContact O-CG 3.23Å; E29-Q33 WeakPolarHBondContact O-CG 3.2Å; E29-Q33 PolarHBondContact O-N 3.15Å; A30-Q33 PolarHBondContact O-N 3.24Å; H31-Q33 PolarHBondContact O-N 3.36Å; Q33-K35 HydrophobicContact CB-CD 4.25Å; Q33-K35 HydrophobicContact CB-CG 4.2Å; Q33-K35 PolarHBondContact O-N 3.44Å
34	G	82.7	Confident	87.2	Confident	70 Å²	70	71.8 Å²	71.8	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	20.3	-177	0	0	0	0	0	114.9	A30 H31 E32	A30-G34 PolarHBondContact O-N 2.7Å; A30-G34 VanDerWaalsContact O-N 3.11Å; H31-G34 PolarHBondContact O-N 3.01Å; E32-G34 VanDerWaalsContact C-N 3.32Å
35	K	84.8	Confident	87.1	Confident	131 Å²	131	78.7 Å²	78.7	57%	0.57	40%	0.4	S	S	*	.			trans	-91.2	141.3	-178.3	-70.4	177.3	-176.8	161.3	0	111.6	A30 Q33	A30-K35 PolarHBondContact O-N 2.88Å; Q33-K35 HydrophobicContact CB-CD 4.25Å; Q33-K35 HydrophobicContact CB-CG 4.2Å; Q33-K35 PolarHBondContact O-N 3.44Å
36	D	78.3	Confident	87.1	Confident	168 Å²	168	72.8 Å²	72.8	90%	0.898	37%	0.374	S	S	*	.			trans	-84.3	139	169.9	-159.7	7.4	0	0	0	110.7
37	I	83	Confident	87	Confident	50 Å²	50	70.6 Å²	70.6	26%	0.256	36%	0.364	S	S	.	.			trans	-138.1	122.7	-165.7	162.2	161.1	0	0	0	109.3	L27 A30 L39 V42	L27-I37 HydrophobicContact CD2-CD1 4.07Å; L27-I37 HydrophobicContact CD2-CG1 4.27Å; L27-I37 HydrophobicContact CD2-CG2 4.19Å; A30-I37 HydrophobicContact CB-CB 4.08Å; A30-I37 HydrophobicContact CB-CD1 4.14Å; A30-I37 HydrophobicContact CB-CG2 3.54Å; I37-L39 PolarHBondContact O-N 3.35Å; I37-V42 HydrophobicContact CD1-CB 4.4Å; I37-V42 HydrophobicContact CD1-CG1 4.44Å; I37-V42 HydrophobicContact CD1-CG2 3.26Å; I37-V42 HydrophobicContact CG1-CG2 3.37Å
38	N	83.2	Confident	87	Confident	88 Å²	88	73.6 Å²	73.6	47%	0.471	39%	0.391	S	S	.	.			trans	-77	106.7	176.4	-173.5	-51.1	0	0	0	110.6	N40 K41 V42	N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.33Å; N38-N40 WeakPolarHBondContact OD1-CB 3.27Å; N38-N40 PolarHBondContact OD1-N 2.88Å; N38-K41 HydrophobicContact CB-CB 4.18Å; N38-K41 HydrophobicContact CB-CD 4.17Å; N38-K41 HydrophobicContact CB-CG 4.12Å; N38-K41 PolarHBondContact O-N 3.31Å; N38-K41 VanDerWaalsContact O-N 3.15Å; N38-K41 PolarHBondContact OD1-N 3.3Å; N38-K41 VanDerWaalsContact OD1-N 3.15Å; N38-V42 VanDerWaalsContact O-CG2 3.28Å; N38-V42 WeakPolarHBondContact O-CG2 3.45Å; N38-V42 PolarHBondContact O-N 2.95Å; N38-V42 VanDerWaalsContact O-N 3.12Å
39	L	85.1	Confident	87	Confident	35 Å²	35	78.8 Å²	78.8	18%	0.183	41%	0.412	C	S	.	.	H	α-helix	trans	-54.6	-40.4	-178.7	-177.5	66	0	0	0	113.1	V23 L27 I37 V42 K43 L58 L77	V23-L39 HydrophobicContact CG1-CD1 4.3Å; L27-L39 HydrophobicContact CD1-CD1 4.02Å; L27-L39 HydrophobicContact CD2-CD1 4.17Å; I37-L39 PolarHBondContact O-N 3.35Å; L39-V42 PolarHBondContact O-N 2.88Å; L39-K43 HydrophobicContact CD1-CD 4.48Å; L39-K43 HydrophobicContact CD1-CG 4.33Å; L39-K43 HydrophobicContact CG-CD 4.04Å; L39-K43 HydrophobicContact CG-CG 4.32Å; L39-K43 WeakPolarHBondContact O-CB 3.37Å; L39-K43 VanDerWaalsContact O-CG 3.25Å; L39-K43 WeakPolarHBondContact O-CG 3.4Å; L39-K43 PolarHBondContact O-N 3.2Å; L39-L58 HydrophobicContact CD2-CD1 3.71Å; L39-L77 HydrophobicContact CD1-CD2 3.9Å; L39-L77 HydrophobicContact CD2-CD2 3.7Å; L39-L77 HydrophobicContact CG-CD2 4.37Å
40	N	85.3	Confident	86.8	Confident	101 Å²	101	77.5 Å²	77.5	54%	0.54	41%	0.405	S	S	.	.	H	α-helix	trans	-67.3	-39.4	-178.6	-72.2	-25.4	0	0	0	111.7	N38 V42 T44	N38-N40 VanDerWaalsContact C-N 3.28Å; N38-N40 PolarHBondContact O-N 3.33Å; N38-N40 WeakPolarHBondContact OD1-CB 3.27Å; N38-N40 PolarHBondContact OD1-N 2.88Å; N40-V42 VanDerWaalsContact C-N 3.34Å; N40-T44 WeakPolarHBondContact O-CB 3.3Å; N40-T44 PolarHBondContact O-N 2.91Å; N40-T44 PolarHBondContact O-OG1 3.16Å
41	K	86.8	Confident	86.7	Confident	155 Å²	155	80 Å²	80	67%	0.674	43%	0.431	S	S	*	.	H	α-helix	trans	-62.6	-43	174.3	-71.6	-172.5	177.2	-178.6	0	111.2	N38 T44 K45	N38-K41 HydrophobicContact CB-CB 4.18Å; N38-K41 HydrophobicContact CB-CD 4.17Å; N38-K41 HydrophobicContact CB-CG 4.12Å; N38-K41 PolarHBondContact O-N 3.31Å; N38-K41 VanDerWaalsContact O-N 3.15Å; N38-K41 PolarHBondContact OD1-N 3.3Å; N38-K41 VanDerWaalsContact OD1-N 3.15Å; K41-T44 PolarHBondContact O-N 3.37Å; K41-K45 WeakPolarHBondContact O-CB 3.31Å; K41-K45 PolarHBondContact O-N 3.11Å
42	V	88.6	Confident	86.6	Confident	13 Å²	13	78.1 Å²	78.1	8%	0.079	42%	0.423	C	S	.	.	H	α-helix	trans	-65	-48.9	-180	176.7	0	0	0	0	110.8	V23 Q26 I37 N38 L39 N40 T44 K45 T46	V23-V42 HydrophobicContact CB-CG1 4.5Å; V23-V42 HydrophobicContact CG1-CG1 4.16Å; V23-V42 HydrophobicContact CG2-CG1 4.27Å; Q26-V42 HydrophobicContact CB-CG1 4.37Å; I37-V42 HydrophobicContact CD1-CB 4.4Å; I37-V42 HydrophobicContact CD1-CG1 4.44Å; I37-V42 HydrophobicContact CD1-CG2 3.26Å; I37-V42 HydrophobicContact CG1-CG2 3.37Å; N38-V42 VanDerWaalsContact O-CG2 3.28Å; N38-V42 WeakPolarHBondContact O-CG2 3.45Å; N38-V42 PolarHBondContact O-N 2.95Å; N38-V42 VanDerWaalsContact O-N 3.12Å; L39-V42 PolarHBondContact O-N 2.88Å; N40-V42 VanDerWaalsContact C-N 3.34Å; V42-T44 VanDerWaalsContact C-N 3.29Å; V42-T44 PolarHBondContact O-N 3.32Å; V42-K45 PolarHBondContact O-N 2.95Å; V42-T46 WeakPolarHBondContact O-CB 3.23Å; V42-T46 PolarHBondContact O-N 3.05Å; V42-T46 PolarHBondContact O-OG1 2.87Å
43	K	89.4	Confident	86.3	Confident	23 Å²	23	80.7 Å²	80.7	10%	0.1	44%	0.435	C	S	.	.	H	α-helix	trans	-54.1	-47.4	174.5	-73.1	174.3	69.1	-163.7	0	111.5	L39 S47 P56 I61	L39-K43 HydrophobicContact CD1-CD 4.48Å; L39-K43 HydrophobicContact CD1-CG 4.33Å; L39-K43 HydrophobicContact CG-CD 4.04Å; L39-K43 HydrophobicContact CG-CG 4.32Å; L39-K43 WeakPolarHBondContact O-CB 3.37Å; L39-K43 VanDerWaalsContact O-CG 3.25Å; L39-K43 WeakPolarHBondContact O-CG 3.4Å; L39-K43 PolarHBondContact O-N 3.2Å; K43-S47 WeakPolarHBondContact O-CB 3.13Å; K43-S47 PolarHBondContact O-N 2.72Å; K43-S47 PolarHBondContact O-OG 3.23Å; K43-S47 VanDerWaalsContact O-OG 3.05Å; K43-P56 WeakPolarHBondContact CE-O 3.29Å; K43-P56 HydrophobicContact CG-CG 4.47Å; K43-P56 PolarHBondContact NZ-O 3.19Å; K43-P56 VanDerWaalsContact NZ-O 3.13Å; K43-I61 HydrophobicContact CD-CD1 3.87Å; K43-I61 HydrophobicContact CG-CD1 3.94Å
44	T	88.6	Confident	86	Confident	73 Å²	73	77.6 Å²	77.6	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-49.6	-178.8	-52.3	0	0	0	0	111.2	N40 K41 V42 T46 S47 A48 Q55	N40-T44 WeakPolarHBondContact O-CB 3.3Å; N40-T44 PolarHBondContact O-N 2.91Å; N40-T44 PolarHBondContact O-OG1 3.16Å; K41-T44 PolarHBondContact O-N 3.37Å; V42-T44 VanDerWaalsContact C-N 3.29Å; V42-T44 PolarHBondContact O-N 3.32Å; T44-T46 PolarHBondContact O-N 2.79Å; T44-S47 PolarHBondContact O-N 3.33Å; T44-A48 WeakPolarHBondContact O-CB 3.33Å; T44-A48 PolarHBondContact O-N 2.95Å; T44-Q55 PolarHBondContact OG1-NE2 3.49Å
45	K	89.8	Confident	86.2	Confident	159 Å²	159	78.1 Å²	78.1	69%	0.691	41%	0.412	S	S	*	.	H	α-helix	trans	-63	-44.5	-179.1	-172.2	179.6	-179.9	-177.4	0	111.8	K41 V42 A48 K49	K41-K45 WeakPolarHBondContact O-CB 3.31Å; K41-K45 PolarHBondContact O-N 3.11Å; V42-K45 PolarHBondContact O-N 2.95Å; K45-A48 PolarHBondContact O-N 3.33Å; K45-K49 PolarHBondContact O-N 3.24Å
46	T	89.9	Confident	86.3	Confident	2 Å²	2	72 Å²	72	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-71.3	-41	-179.5	-51.3	0	0	0	0	111.2	T19 D22 V23 Q26 V42 T44 A48 K49 Y50	T19-T46 HydrophobicContact CG2-CG2 3.88Å; D22-T46 HydrophobicContact CB-CG2 3.8Å; D22-T46 WeakPolarHBondContact OD2-CG2 3.47Å; V23-T46 HydrophobicContact CG2-CG2 3.94Å; Q26-T46 PolarHBondContact NE2-OG1 3.29Å; Q26-T46 VanDerWaalsContact NE2-OG1 3.16Å; V42-T46 WeakPolarHBondContact O-CB 3.23Å; V42-T46 PolarHBondContact O-N 3.05Å; V42-T46 PolarHBondContact O-OG1 2.87Å; T44-T46 PolarHBondContact O-N 2.79Å; T46-A48 VanDerWaalsContact C-N 3.31Å; T46-A48 PolarHBondContact O-N 3.45Å; T46-K49 WeakPolarHBondContact O-CB 3.29Å; T46-K49 PolarHBondContact O-N 2.83Å; T46-Y50 HydrophobicContact CG2-CD2 3.9Å; T46-Y50 HydrophobicContact CG2-CE2 3.76Å; T46-Y50 VanDerWaalsContact O-CD2 3.27Å; T46-Y50 WeakPolarHBondContact O-CD2 3.36Å; T46-Y50 PolarHBondContact O-N 3.29Å
47	S	90.2	Very high	86.7	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.028	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-41	173.4	-73.3	0	0	0	0	112.3	K43 T44 Y50 G51 L52 P56	K43-S47 WeakPolarHBondContact O-CB 3.13Å; K43-S47 PolarHBondContact O-N 2.72Å; K43-S47 PolarHBondContact O-OG 3.23Å; K43-S47 VanDerWaalsContact O-OG 3.05Å; T44-S47 PolarHBondContact O-N 3.33Å; S47-Y50 PolarHBondContact O-N 3.03Å; S47-G51 PolarHBondContact O-N 2.75Å; S47-L52 PolarHBondContact O-N 2.95Å; S47-P56 VanDerWaalsContact OG-CD 3.23Å; S47-P56 WeakPolarHBondContact OG-CD 3.5Å
48	A	88.8	Confident	86.8	Confident	75 Å²	75	71 Å²	71	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-64.3	-41.5	175.1	0	0	0	0	0	112.3	T44 K45 T46 Y50 G51	T44-A48 WeakPolarHBondContact O-CB 3.33Å; T44-A48 PolarHBondContact O-N 2.95Å; K45-A48 PolarHBondContact O-N 3.33Å; T46-A48 VanDerWaalsContact C-N 3.31Å; T46-A48 PolarHBondContact O-N 3.45Å; A48-Y50 VanDerWaalsContact C-N 3.25Å; A48-Y50 PolarHBondContact O-N 2.99Å; A48-G51 PolarHBondContact O-N 3.25Å; A48-G51 VanDerWaalsContact O-N 3.13Å
49	K	89	Confident	86.8	Confident	125 Å²	125	68.3 Å²	68.3	54%	0.543	36%	0.355	S	S	.	.	H	α-helix	trans	-57	-36.6	176.3	175.5	-175	169.8	-169.6	0	112.9	D22 K45 T46	D22-K49 IonicContact OD1-NZ 3.25Å; D22-K49 IonicContact OD2-NZ 3Å; D22-K49 PolarHBondContact OD2-NZ 2.98Å; K45-K49 PolarHBondContact O-N 3.24Å; T46-K49 WeakPolarHBondContact O-CB 3.29Å; T46-K49 PolarHBondContact O-N 2.83Å
50	Y	87.1	Confident	86.8	Confident	52 Å²	52	68.6 Å²	68.6	20%	0.204	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.9	179.7	-68.9	-78.3	0	0	0	114	L15 M18 T19 D22 T46 S47 A48	L15-Y50 HydrophobicContact CD2-CD1 4.45Å; M18-Y50 HydrophobicContact CB-CD1 4.26Å; M18-Y50 HydrophobicContact CB-CE1 3.89Å; M18-Y50 HydrophobicContact CE-CE1 4Å; T19-Y50 HydrophobicContact CG2-CD2 4.41Å; T19-Y50 WeakPolarHBondContact OG1-CB 3.36Å; T19-Y50 VanDerWaalsContact OG1-CD2 3.31Å; T19-Y50 WeakPolarHBondContact OG1-CD2 3.4Å; D22-Y50 HydrophobicContact CB-CE2 3.93Å; T46-Y50 HydrophobicContact CG2-CD2 3.9Å; T46-Y50 HydrophobicContact CG2-CE2 3.76Å; T46-Y50 VanDerWaalsContact O-CD2 3.27Å; T46-Y50 WeakPolarHBondContact O-CD2 3.36Å; T46-Y50 PolarHBondContact O-N 3.29Å; S47-Y50 PolarHBondContact O-N 3.03Å; A48-Y50 VanDerWaalsContact C-N 3.25Å; A48-Y50 PolarHBondContact O-N 2.99Å
51	G	84.9	Confident	86.9	Confident	63 Å²	63	63.8 Å²	63.8	65%	0.649	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	29.3	177	0	0	0	0	0	114.7	S47 A48	S47-G51 PolarHBondContact O-N 2.75Å; A48-G51 PolarHBondContact O-N 3.25Å; A48-G51 VanDerWaalsContact O-N 3.13Å
52	L	85.6	Confident	86.9	Confident	20 Å²	20	57.1 Å²	57.1	11%	0.105	30%	0.303	C	S	.	.			trans	-84.3	128.7	178.5	-72.8	171.6	0	0	0	111.8	R12 L15 M16 T19 S47 A54	R12-L52 HydrophobicContact CG-CD2 4.44Å; L15-L52 HydrophobicContact CB-CD2 4.13Å; M16-L52 HydrophobicContact CE-CD1 3.98Å; M16-L52 HydrophobicContact CE-CD2 4.25Å; M16-L52 HydrophobicContact SD-CD1 3.94Å; T19-L52 HydrophobicContact CG2-CD1 3.9Å; T19-L52 WeakPolarHBondContact OG1-CD1 3.38Å; S47-L52 PolarHBondContact O-N 2.95Å; L52-A54 PolarHBondContact O-N 3.25Å
53	E	81.7	Confident	86.7	Confident	176 Å²	176	59.7 Å²	59.7	82%	0.822	33%	0.325	S	S	*	.	S	Bend	trans	-64.9	-28	172.2	-63.1	173.9	160.8	0	0	113.3	R12	R12-E53 IonicContact CZ-OE2 3.75Å; R12-E53 IonicContact NH1-OE2 3.74Å; R12-E53 IonicContact NH2-OE2 2.81Å; R12-E53 PolarHBondContact NH2-OE2 2.85Å
54	A	83.5	Confident	86.7	Confident	46 Å²	46	61 Å²	61	38%	0.38	34%	0.34	S	S	.	.	S	Bend	trans	-124.9	139.9	-175.6	0	0	0	0	0	110.9	L52	L52-A54 PolarHBondContact O-N 3.25Å
55	Q	87.3	Confident	86.6	Confident	82 Å²	82	57.6 Å²	57.6	38%	0.383	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-72.9	148.6	176.6	-63.8	-173.9	-0.9	0	0	111.7	T44 R57	T44-Q55 PolarHBondContact OG1-NE2 3.49Å; Q55-R57 PolarHBondContact O-N 2.98Å
56	P	86	Confident	86.5	Confident	1 Å²	1	52 Å²	52	1%	0.006	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-58.4	140.5	171.8	22.8	-31.9	0	0	0	110.6	M16 T19 I20 K43 S47 I61	M16-P56 HydrophobicContact SD-CB 3.84Å; T19-P56 HydrophobicContact CG2-CG 4.22Å; I20-P56 HydrophobicContact CD1-CB 4.33Å; I20-P56 HydrophobicContact CG1-CB 3.7Å; K43-P56 WeakPolarHBondContact CE-O 3.29Å; K43-P56 HydrophobicContact CG-CG 4.47Å; K43-P56 PolarHBondContact NZ-O 3.19Å; K43-P56 VanDerWaalsContact NZ-O 3.13Å; S47-P56 VanDerWaalsContact OG-CD 3.23Å; S47-P56 WeakPolarHBondContact OG-CD 3.5Å; P56-I61 HydrophobicContact CB-CD1 4.37Å; P56-I61 HydrophobicContact CB-CG1 4.22Å; P56-I61 HydrophobicContact CG-CD1 4.2Å; P56-I61 HydrophobicContact CG-CG1 4.46Å
57	R	86	Confident	86.3	Confident	159 Å²	159	56.9 Å²	56.9	60%	0.6	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-73.4	149	177.1	-52.9	173.5	-64.3	-178.1	3.5	108.6	Q55 V59 D60 I61	Q55-R57 PolarHBondContact O-N 2.98Å; R57-V59 HydrophobicContact CB-CG2 3.86Å; R57-V59 PolarHBondContact O-N 3.02Å; R57-D60 VanDerWaalsContact CB-OD2 3.27Å; R57-D60 WeakPolarHBondContact CB-OD2 3.41Å; R57-D60 IonicContact CZ-OD1 3.52Å; R57-D60 IonicContact CZ-OD2 3.63Å; R57-D60 PolarHBondContact N-OD2 3.1Å; R57-D60 IonicContact NE-OD1 2.76Å; R57-D60 IonicContact NE-OD2 3.78Å; R57-D60 PolarHBondContact NE-OD2 3.32Å; R57-D60 IonicContact NH2-OD1 3.58Å; R57-D60 PolarHBondContact NH2-OD1 3.22Å; R57-D60 IonicContact NH2-OD2 2.76Å; R57-D60 PolarHBondContact NH2-OD2 2.88Å; R57-D60 PolarHBondContact O-N 3.11Å; R57-I61 PolarHBondContact O-N 3.41Å
58	L	85.2	Confident	86.2	Confident	38 Å²	38	63.6 Å²	63.6	20%	0.199	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-36.4	179.7	-177.7	62.7	0	0	0	112.3	L39 D60 I61 I62 A79 L159	L39-L58 HydrophobicContact CD2-CD1 3.71Å; L58-D60 VanDerWaalsContact C-N 3.29Å; L58-D60 PolarHBondContact O-N 3.4Å; L58-I61 PolarHBondContact O-N 3.23Å; L58-I62 HydrophobicContact CD1-CD1 4.31Å; L58-I62 HydrophobicContact CD1-CG1 4.37Å; L58-I62 HydrophobicContact CD2-CD1 4.44Å; L58-I62 HydrophobicContact CG-CD1 3.88Å; L58-I62 HydrophobicContact CG-CG1 4.37Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.14Å; L58-A79 HydrophobicContact CD2-CB 3.76Å; L58-L159 HydrophobicContact CD2-CD2 4.42Å
59	V	84.1	Confident	86	Confident	32 Å²	32	62.4 Å²	62.4	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-37.5	176.3	-65.6	0	0	0	0	112.5	R57 I62 A63 Q158 L159	R57-V59 HydrophobicContact CB-CG2 3.86Å; R57-V59 PolarHBondContact O-N 3.02Å; V59-I62 PolarHBondContact O-N 3.49Å; V59-A63 VanDerWaalsContact O-CB 3.29Å; V59-A63 WeakPolarHBondContact O-CB 3.26Å; V59-A63 PolarHBondContact O-N 3.26Å; V59-Q158 HydrophobicContact CB-CB 4.4Å; V59-Q158 HydrophobicContact CG1-CB 3.94Å; V59-L159 HydrophobicContact CG1-CD2 3.74Å; V59-L159 HydrophobicContact CG1-CG 4.21Å
60	D	85.8	Confident	85.7	Confident	42 Å²	42	62.3 Å²	62.3	23%	0.225	34%	0.338	C	S	.	.	H	α-helix	trans	-71.7	-38.3	179.7	-53.5	-41	0	0	0	110.2	I20 R57 L58 A64	I20-D60 HydrophobicContact CD1-CB 3.73Å; R57-D60 VanDerWaalsContact CB-OD2 3.27Å; R57-D60 WeakPolarHBondContact CB-OD2 3.41Å; R57-D60 IonicContact CZ-OD1 3.52Å; R57-D60 IonicContact CZ-OD2 3.63Å; R57-D60 PolarHBondContact N-OD2 3.1Å; R57-D60 IonicContact NE-OD1 2.76Å; R57-D60 IonicContact NE-OD2 3.78Å; R57-D60 PolarHBondContact NE-OD2 3.32Å; R57-D60 IonicContact NH2-OD1 3.58Å; R57-D60 PolarHBondContact NH2-OD1 3.22Å; R57-D60 IonicContact NH2-OD2 2.76Å; R57-D60 PolarHBondContact NH2-OD2 2.88Å; R57-D60 PolarHBondContact O-N 3.11Å; L58-D60 VanDerWaalsContact C-N 3.29Å; L58-D60 PolarHBondContact O-N 3.4Å; D60-A64 WeakPolarHBondContact O-CB 3.26Å; D60-A64 PolarHBondContact O-N 3.3Å; D60-A64 VanDerWaalsContact O-N 3.16Å
61	I	87.3	Confident	85.4	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-48.7	174.3	-60.1	169.9	0	0	0	110.5	V23 I24 L27 K43 P56 R57 L58 A63 A64 V65 L77	V23-I61 HydrophobicContact CG1-CD1 4.29Å; V23-I61 HydrophobicContact CG1-CG2 4.37Å; I24-I61 HydrophobicContact CG1-CG2 4.33Å; L27-I61 HydrophobicContact CD1-CG2 4.34Å; K43-I61 HydrophobicContact CD-CD1 3.87Å; K43-I61 HydrophobicContact CG-CD1 3.94Å; P56-I61 HydrophobicContact CB-CD1 4.37Å; P56-I61 HydrophobicContact CB-CG1 4.22Å; P56-I61 HydrophobicContact CG-CD1 4.2Å; P56-I61 HydrophobicContact CG-CG1 4.46Å; R57-I61 PolarHBondContact O-N 3.41Å; L58-I61 PolarHBondContact O-N 3.23Å; I61-A63 VanDerWaalsContact C-N 3.34Å; I61-A63 PolarHBondContact O-N 3.3Å; I61-A64 PolarHBondContact O-N 3.36Å; I61-V65 WeakPolarHBondContact O-CG2 3.23Å; I61-V65 PolarHBondContact O-N 3.04Å; I61-L77 HydrophobicContact CG2-CD1 4.32Å
62	I	85.4	Confident	85.3	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.077	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-44.1	179.1	-70.1	171	0	0	0	110.8	L58 V59 A64 V65 V74 L77	L58-I62 HydrophobicContact CD1-CD1 4.31Å; L58-I62 HydrophobicContact CD1-CG1 4.37Å; L58-I62 HydrophobicContact CD2-CD1 4.44Å; L58-I62 HydrophobicContact CG-CD1 3.88Å; L58-I62 HydrophobicContact CG-CG1 4.37Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.14Å; V59-I62 PolarHBondContact O-N 3.49Å; I62-A64 VanDerWaalsContact C-N 3.27Å; I62-A64 PolarHBondContact O-N 2.97Å; I62-V65 WeakPolarHBondContact O-CB 3.38Å; I62-V65 WeakPolarHBondContact O-CG2 3.37Å; I62-V65 PolarHBondContact O-N 3.41Å; I62-V74 HydrophobicContact CG2-CG2 4.45Å; I62-L77 HydrophobicContact CD1-CB 4.5Å; I62-L77 HydrophobicContact CG1-CB 4.09Å
63	A	85.6	Confident	85.2	Confident	66 Å²	66	69.4 Å²	69.4	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-37.1	-179.7	0	0	0	0	0	112.4	V59 I61 V65 R70	V59-A63 VanDerWaalsContact O-CB 3.29Å; V59-A63 WeakPolarHBondContact O-CB 3.26Å; V59-A63 PolarHBondContact O-N 3.26Å; I61-A63 VanDerWaalsContact C-N 3.34Å; I61-A63 PolarHBondContact O-N 3.3Å; A63-V65 VanDerWaalsContact C-N 3.34Å; A63-R70 PolarHBondContact O-NH2 3.17Å
64	A	88	Confident	85.1	Confident	50 Å²	50	62.2 Å²	62.2	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-82.2	-4.8	-178.8	0	0	0	0	0	114.2	I20 I24 D60 I61 I62 P66	I20-A64 HydrophobicContact CG2-CB 3.54Å; I24-A64 HydrophobicContact CD1-CB 3.3Å; I24-A64 WeakPolarHBondContact CD1-O 3.44Å; D60-A64 WeakPolarHBondContact O-CB 3.26Å; D60-A64 PolarHBondContact O-N 3.3Å; D60-A64 VanDerWaalsContact O-N 3.16Å; I61-A64 PolarHBondContact O-N 3.36Å; I62-A64 VanDerWaalsContact C-N 3.27Å; I62-A64 PolarHBondContact O-N 2.97Å; A64-P66 WeakPolarHBondContact O-CD 3.29Å
65	V	88.3	Confident	84.9	Confident	3 Å²	3	64 Å²	64	2%	0.018	33%	0.326	C	S	.	.	S	Bend	trans	-60.8	125.1	176.5	177.9	0	0	0	0	110.6	I61 I62 A63 R70 L73 L77	I61-V65 WeakPolarHBondContact O-CG2 3.23Å; I61-V65 PolarHBondContact O-N 3.04Å; I62-V65 WeakPolarHBondContact O-CB 3.38Å; I62-V65 WeakPolarHBondContact O-CG2 3.37Å; I62-V65 PolarHBondContact O-N 3.41Å; A63-V65 VanDerWaalsContact C-N 3.34Å; V65-R70 HydrophobicContact CB-CG 4.24Å; V65-R70 HydrophobicContact CG1-CG 3.87Å; V65-R70 PolarHBondContact O-NE 3.49Å; V65-L73 HydrophobicContact CG1-CB 4.14Å; V65-L73 HydrophobicContact CG1-CD1 4.2Å; V65-L77 HydrophobicContact CG2-CD1 3.89Å
66	P	87.4	Confident	84.5	Confident	40 Å²	40	66.9 Å²	66.9	26%	0.26	34%	0.337	S	S	.	.			trans	-59.9	143.3	-179.9	-23.7	32.2	0	0	0	112.3	I24 A64 Q68 Y69 R70	I24-P66 HydrophobicContact CG2-CG 4.31Å; A64-P66 WeakPolarHBondContact O-CD 3.29Å; P66-Q68 HydrophobicContact CB-CG 4.38Å; P66-Q68 PolarHBondContact O-N 3.25Å; P66-Q68 VanDerWaalsContact O-N 3.1Å; P66-Y69 HydrophobicContact CB-CD2 4.22Å; P66-Y69 HydrophobicContact CG-CD2 4.37Å; P66-Y69 PolarHBondContact O-N 3.36Å; P66-R70 PolarHBondContact O-N 3.37Å
67	P	86	Confident	84.2	Confident	105 Å²	105	67.5 Å²	67.5	68%	0.682	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-50.6	-39.6	-176.1	-29	35.4	0	0	0	114.4	Y69 R70	P67-Y69 VanDerWaalsContact C-N 3.33Å; P67-Y69 PolarHBondContact O-N 3.41Å; P67-R70 PolarHBondContact O-N 2.94Å
68	Q	87.4	Confident	83.8	Confident	145 Å²	145	62 Å²	62	68%	0.678	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-63.6	-32.1	179.6	67.5	-128.8	45.9	0	0	114	P66	P66-Q68 HydrophobicContact CB-CG 4.38Å; P66-Q68 PolarHBondContact O-N 3.25Å; P66-Q68 VanDerWaalsContact O-N 3.1Å
69	Y	85.3	Confident	83	Confident	50 Å²	50	61.6 Å²	61.6	20%	0.196	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-99.2	-4.1	-178.3	-63.7	-77.8	0	0	0	113.3	V28 E32 P66 P67 R71 V72 L73	V28-Y69 HydrophobicContact CG1-CD1 4.3Å; V28-Y69 HydrophobicContact CG1-CD2 4.27Å; V28-Y69 HydrophobicContact CG1-CE1 3.72Å; V28-Y69 HydrophobicContact CG1-CE2 3.71Å; V28-Y69 VanDerWaalsContact CG1-CZ 3.41Å; V28-Y69 HydrophobicContact CG2-CD1 4.38Å; V28-Y69 HydrophobicContact CG2-CD2 3.82Å; V28-Y69 HydrophobicContact CG2-CE2 4.07Å; V28-Y69 HydrophobicContact CG2-CG 4.01Å; E32-Y69 PolarHBondContact OE1-OH 2.92Å; P66-Y69 HydrophobicContact CB-CD2 4.22Å; P66-Y69 HydrophobicContact CG-CD2 4.37Å; P66-Y69 PolarHBondContact O-N 3.36Å; P67-Y69 VanDerWaalsContact C-N 3.33Å; P67-Y69 PolarHBondContact O-N 3.41Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 2.94Å; Y69-V72 PolarHBondContact O-N 3.43Å; Y69-V72 VanDerWaalsContact O-N 3.08Å; Y69-L73 PolarHBondContact O-N 3.47Å
70	R	82.4	Confident	82.3	Confident	124 Å²	124	66.6 Å²	66.6	47%	0.468	34%	0.342	S	S	.	.	H	α-helix	trans	-56.9	-40.9	-177.9	-80.1	-174.4	177.7	-163.9	-3.7	112.9	A63 V65 P66 P67 V72 V74	A63-R70 PolarHBondContact O-NH2 3.17Å; V65-R70 HydrophobicContact CB-CG 4.24Å; V65-R70 HydrophobicContact CG1-CG 3.87Å; V65-R70 PolarHBondContact O-NE 3.49Å; P66-R70 PolarHBondContact O-N 3.37Å; P67-R70 PolarHBondContact O-N 2.94Å; R70-V72 PolarHBondContact O-N 3.45Å; R70-V74 HydrophobicContact CB-CG2 4.2Å; R70-V74 HydrophobicContact CG-CG2 4.28Å; R70-V74 VanDerWaalsContact O-CB 3.25Å; R70-V74 WeakPolarHBondContact O-CB 3.49Å; R70-V74 VanDerWaalsContact O-CG2 3.29Å; R70-V74 WeakPolarHBondContact O-CG2 3.23Å; R70-V74 PolarHBondContact O-N 3.26Å; R70-V74 VanDerWaalsContact O-N 3.17Å
71	R	80.1	Confident	81.2	Confident	224 Å²	224	67.3 Å²	67.3	85%	0.845	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-27.5	-179.8	-73	-173.4	177.1	-179.7	0.5	113.1	Y69 P75	Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 2.94Å; R71-P75 WeakPolarHBondContact O-CD 3.3Å; R71-P75 WeakPolarHBondContact O-CG 3.45Å
72	V	82.4	Confident	80.3	Confident	54 Å²	54	70.2 Å²	70.2	33%	0.327	36%	0.364	S	S	.	.	H	α-helix	trans	-101	-44.1	-176	-172.7	0	0	0	0	112.3	H31 Y69 R70	H31-V72 WeakPolarHBondContact CE1-CG1 3.4Å; H31-V72 WeakPolarHBondContact NE2-CG1 3.03Å; Y69-V72 PolarHBondContact O-N 3.43Å; Y69-V72 VanDerWaalsContact O-N 3.08Å; R70-V72 PolarHBondContact O-N 3.45Å
73	L	83.8	Confident	79.5	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-81.7	-37.6	-174	-66.1	-178.8	0	0	0	113	L27 V28 H31 V65 Y69 K76 L77	L27-L73 HydrophobicContact CB-CD1 4.39Å; L27-L73 HydrophobicContact CB-CD2 4.49Å; V28-L73 HydrophobicContact CG2-CD1 3.88Å; H31-L73 HydrophobicContact CB-CD2 4.19Å; V65-L73 HydrophobicContact CG1-CB 4.14Å; V65-L73 HydrophobicContact CG1-CD1 4.2Å; Y69-L73 PolarHBondContact O-N 3.47Å; L73-K76 PolarHBondContact O-N 2.95Å; L73-K76 VanDerWaalsContact O-N 3.09Å; L73-L77 HydrophobicContact CB-CD1 4.25Å; L73-L77 WeakPolarHBondContact O-CB 3.17Å; L73-L77 VanDerWaalsContact O-CG 3.25Å; L73-L77 WeakPolarHBondContact O-CG 3.25Å; L73-L77 PolarHBondContact O-N 3.01Å
74	V	80.7	Confident	78.4	Confident	25 Å²	25	72.6 Å²	72.6	15%	0.152	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-43.5	-177.2	177.2	0	0	0	0	112.4	I62 R70 K76 L77 K78	I62-V74 HydrophobicContact CG2-CG2 4.45Å; R70-V74 HydrophobicContact CB-CG2 4.2Å; R70-V74 HydrophobicContact CG-CG2 4.28Å; R70-V74 VanDerWaalsContact O-CB 3.25Å; R70-V74 WeakPolarHBondContact O-CB 3.49Å; R70-V74 VanDerWaalsContact O-CG2 3.29Å; R70-V74 WeakPolarHBondContact O-CG2 3.23Å; R70-V74 PolarHBondContact O-N 3.26Å; R70-V74 VanDerWaalsContact O-N 3.17Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 2.88Å; V74-L77 PolarHBondContact O-N 3.42Å; V74-K78 PolarHBondContact O-N 2.68Å
75	P	78	Confident	77.1	Confident	83 Å²	83	71.1 Å²	71.1	54%	0.539	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-36.2	173.9	-27	36.4	0	0	0	113.9	R71 K78	R71-P75 WeakPolarHBondContact O-CD 3.3Å; R71-P75 WeakPolarHBondContact O-CG 3.45Å; P75-K78 WeakPolarHBondContact O-CB 3.25Å
76	K	78.9	Confident	75.8	Confident	143 Å²	143	72.3 Å²	72.3	62%	0.622	36%	0.355	S	S	*	.	H	α-helix	trans	-76.1	-30.3	178.1	-64.8	-177.8	177.6	-175.2	0	113	L73 V74	L73-K76 PolarHBondContact O-N 2.95Å; L73-K76 VanDerWaalsContact O-N 3.09Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 2.88Å
77	L	80.4	Confident	75	Confident	13 Å²	13	70.7 Å²	70.7	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-87.2	-6.1	178.9	-65.3	173.3	0	0	0	113.2	L27 L39 I61 I62 V65 L73 V74 A79	L27-L77 HydrophobicContact CD1-CD1 4.29Å; L27-L77 HydrophobicContact CD1-CD2 3.97Å; L39-L77 HydrophobicContact CD1-CD2 3.9Å; L39-L77 HydrophobicContact CD2-CD2 3.7Å; L39-L77 HydrophobicContact CG-CD2 4.37Å; I61-L77 HydrophobicContact CG2-CD1 4.32Å; I62-L77 HydrophobicContact CD1-CB 4.5Å; I62-L77 HydrophobicContact CG1-CB 4.09Å; V65-L77 HydrophobicContact CG2-CD1 3.89Å; L73-L77 HydrophobicContact CB-CD1 4.25Å; L73-L77 WeakPolarHBondContact O-CB 3.17Å; L73-L77 VanDerWaalsContact O-CG 3.25Å; L73-L77 WeakPolarHBondContact O-CG 3.25Å; L73-L77 PolarHBondContact O-N 3.01Å; V74-L77 PolarHBondContact O-N 3.42Å; L77-A79 PolarHBondContact O-N 3.47Å
78	K	76.4	Confident	75	Confident	45 Å²	45	66.7 Å²	66.7	20%	0.196	32%	0.318	C	S	.	.			trans	-61.4	123.2	-177.3	-173.6	180	177.4	-171	0	111.2	V74 P75 T84 H161	V74-K78 PolarHBondContact O-N 2.68Å; P75-K78 WeakPolarHBondContact O-CB 3.25Å; K78-T84 WeakPolarHBondContact CE-OG1 3.38Å; K78-T84 PolarHBondContact NZ-OG1 3.11Å; K78-H161 VanDerWaalsContact CE-CE1 3.46Å; K78-H161 WeakPolarHBondContact CE-CE1 3.08Å; K78-H161 WeakPolarHBondContact CE-ND1 3.49Å
79	A	70.3	Confident	75.1	Confident	29 Å²	29	59.8 Å²	59.8	24%	0.24	29%	0.286	C	S	.	.	S	Bend	trans	-70.3	132.4	176.5	0	0	0	0	0	111.4	L58 L77 L159 H161	L58-A79 HydrophobicContact CD2-CB 3.76Å; L77-A79 PolarHBondContact O-N 3.47Å; A79-L159 HydrophobicContact CB-CD2 4.26Å; A79-H161 PolarHBondContact O-CE1 3.02Å; A79-H161 PolarHBondContact O-NE2 3.34Å; A79-H161 VanDerWaalsContact O-NE2 3.16Å
80	K	68.3	Low	75.5	Confident	136 Å²	136	60 Å²	60	59%	0.591	29%	0.292	S	S	*	.	S	Bend	trans	48.1	65.9	173.4	-62	-174.1	176.4	-167.7	0	111.8	I82 R83	K80-I82 PolarHBondContact O-N 2.96Å; K80-R83 HydrophobicContact CB-CG 4.03Å; K80-R83 WeakPolarHBondContact O-CB 2.96Å; K80-R83 PolarHBondContact O-N 3.18Å
81	P	63.6	Low	76.1	Confident	58 Å²	58	54.1 Å²	54.1	38%	0.377	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.7	-32	-170.4	21.6	-33.6	0	0	0	113.6	R83 T84 A85	P81-R83 PolarHBondContact O-N 3.11Å; P81-R83 VanDerWaalsContact O-N 3.08Å; P81-T84 PolarHBondContact O-N 3.39Å; P81-A85 PolarHBondContact O-N 3.27Å
82	I	68.1	Low	76.9	Confident	61 Å²	61	44.3 Å²	44.3	31%	0.313	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-51	-31.7	174.5	-62.9	169.5	0	0	0	112.6	K80 T84 A85 I409 I412	K80-I82 PolarHBondContact O-N 2.96Å; I82-T84 PolarHBondContact O-N 3.1Å; I82-A85 PolarHBondContact O-N 3.2Å; I82-I409 HydrophobicContact CG1-CD1 4.42Å; I82-I409 HydrophobicContact CG2-CD1 3.79Å; I82-I412 HydrophobicContact CG1-CD1 4.18Å; I82-I412 HydrophobicContact CG1-CG2 4.25Å
83	R	67.7	Low	77.6	Confident	119 Å²	119	41.7 Å²	41.7	45%	0.449	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.3	-27	-176.4	-75.3	-176	167.2	176.5	-6.1	114.6	K80 P81	K80-R83 HydrophobicContact CB-CG 4.03Å; K80-R83 WeakPolarHBondContact O-CB 2.96Å; K80-R83 PolarHBondContact O-N 3.18Å; P81-R83 PolarHBondContact O-N 3.11Å; P81-R83 VanDerWaalsContact O-N 3.08Å
84	T	62.8	Low	78.2	Confident	12 Å²	12	41.5 Å²	41.5	7%	0.074	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-133.1	30.2	175.1	63.7	0	0	0	0	111.2	K78 P81 I82 S86 G87 H161	K78-T84 WeakPolarHBondContact CE-OG1 3.38Å; K78-T84 PolarHBondContact NZ-OG1 3.11Å; P81-T84 PolarHBondContact O-N 3.39Å; I82-T84 PolarHBondContact O-N 3.1Å; T84-S86 VanDerWaalsContact C-N 3.26Å; T84-S86 PolarHBondContact O-N 2.98Å; T84-G87 PolarHBondContact O-N 3.04Å; T84-H161 HydrophobicContact CG2-CB 4.12Å; T84-H161 WeakPolarHBondContact CG2-ND1 3.29Å; T84-H161 PolarHBondContact OG1-ND1 2.91Å
85	A	60.5	Low	78.9	Confident	18 Å²	18	40.3 Å²	40.3	15%	0.149	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.9	175.3	0	0	0	0	0	111.4	P81 I82 G87 I412	P81-A85 PolarHBondContact O-N 3.27Å; I82-A85 PolarHBondContact O-N 3.2Å; A85-G87 PolarHBondContact O-N 3.39Å; A85-I412 HydrophobicContact CB-CD1 3.83Å
86	S	61.4	Low	79.6	Confident	29 Å²	29	40.2 Å²	40.2	20%	0.203	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-4.6	171.9	62.5	0	0	0	0	114.2	T84 I88	T84-S86 VanDerWaalsContact C-N 3.26Å; T84-S86 PolarHBondContact O-N 2.98Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 3.36Å
87	G	71.2	Confident	80.3	Confident	6 Å²	6	34.9 Å²	34.9	6%	0.062	18%	0.184	C	C	.	.	S	Bend	trans	78.9	9.2	-179.4	0	0	0	0	0	116.9	T84 A85	T84-G87 PolarHBondContact O-N 3.04Å; A85-G87 PolarHBondContact O-N 3.39Å
88	I	84.7	Confident	81	Confident	21 Å²	21	35.4 Å²	35.4	11%	0.108	19%	0.186	C	C	.	.			trans	-115.8	130.9	179.3	-58.4	176.9	0	0	0	109	S86 V90 E167 V217	S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 3.36Å; I88-V90 PolarHBondContact O-N 3.1Å; I88-E167 HydrophobicContact CG2-CB 3.52Å; I88-V217 HydrophobicContact CD1-CG2 4.16Å; I88-V217 HydrophobicContact CG1-CG2 4.39Å; I88-V217 HydrophobicContact CG2-CG2 3.86Å
89	A	90.4	Very high	81.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.4	173.2	0	0	0	0	0	110.1	V91 L156 V163 K165 V166 E167	A89-V91 PolarHBondContact O-N 3.25Å; A89-L156 HydrophobicContact CB-CD1 4.06Å; A89-V163 HydrophobicContact CB-CB 4.2Å; A89-V163 HydrophobicContact CB-CG1 3.97Å; A89-K165 WeakPolarHBondContact CB-O 3.26Å; A89-K165 PolarHBondContact N-O 3.44Å; A89-V166 HydrophobicContact CB-CG2 4.3Å; A89-V166 WeakPolarHBondContact O-CA 3.44Å; A89-E167 PolarHBondContact O-N 3.48Å
90	V	92.5	Very high	82.9	Confident	54 Å²	54	39.6 Å²	39.6	33%	0.327	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.1	176.2	-177.6	0	0	0	0	110.4	I88 E167 I169	I88-V90 PolarHBondContact O-N 3.1Å; V90-E167 WeakPolarHBondContact CA-O 3.37Å; V90-I169 HydrophobicContact CG1-CD1 3.45Å; V90-I169 VanDerWaalsContact CG1-CD1 3.45Å; V90-I169 HydrophobicContact CG1-CG1 3.94Å
91	V	96.4	Very high	84.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	100	179.7	177.8	0	0	0	0	108.9	A89 V93 R152 V153 L156 V166 E167 F168 I169	A89-V91 PolarHBondContact O-N 3.25Å; V91-V93 HydrophobicContact CG1-CG1 4.13Å; V91-R152 HydrophobicContact CB-CG 4.37Å; V91-R152 HydrophobicContact CG1-CB 4.06Å; V91-R152 HydrophobicContact CG1-CG 3.88Å; V91-R152 HydrophobicContact CG2-CG 4.09Å; V91-V153 HydrophobicContact CG2-CG2 4.12Å; V91-L156 HydrophobicContact CG2-CD1 4.4Å; V91-V166 HydrophobicContact CB-CG1 3.98Å; V91-V166 HydrophobicContact CG2-CG1 3.64Å; V91-E167 PolarHBondContact N-O 3.4Å; V91-F168 HydrophobicContact CB-CD1 3.92Å; V91-F168 HydrophobicContact CB-CE1 4.06Å; V91-F168 HydrophobicContact CG1-CD1 3.86Å; V91-F168 HydrophobicContact CG1-CE1 3.75Å; V91-F168 VanDerWaalsContact O-CA 3.32Å; V91-F168 WeakPolarHBondContact O-CA 3.08Å; V91-I169 PolarHBondContact O-N 3.15Å
92	A	96.2	Very high	85.6	Confident	18 Å²	18	31.5 Å²	31.5	15%	0.149	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.4	176.1	0	0	0	0	0	110.4	T134 I169 M171	A92-T134 HydrophobicContact CB-CG2 4.1Å; A92-T134 WeakPolarHBondContact O-CG2 3.28Å; A92-I169 WeakPolarHBondContact CA-O 3.43Å; A92-I169 HydrophobicContact CB-CB 4.25Å; A92-M171 HydrophobicContact CB-CE 3.7Å; A92-M171 HydrophobicContact CB-SD 3.96Å
93	V	97.2	Very high	86.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.5	-178.8	-63.3	0	0	0	0	109.8	V91 Q148 I169 V170 M171 F186 L190	V91-V93 HydrophobicContact CG1-CG1 4.13Å; V93-Q148 HydrophobicContact CG1-CB 4.02Å; V93-I169 PolarHBondContact N-O 3.42Å; V93-V170 HydrophobicContact CG2-CG2 4.23Å; V93-M171 PolarHBondContact O-N 2.77Å; V93-F186 HydrophobicContact CB-CZ 4.29Å; V93-F186 HydrophobicContact CG2-CE1 3.87Å; V93-F186 HydrophobicContact CG2-CZ 3.91Å; V93-L190 HydrophobicContact CG1-CD2 4.22Å; V93-L190 HydrophobicContact CG2-CD1 4.17Å; V93-L190 HydrophobicContact CG2-CD2 4.02Å
94	M	96.6	Very high	88	Confident	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.5	177.7	-68.2	-177.9	161.6	0	0	110.7	Y128 S135 A138 Y143 Q148 M171 F186	M94-Y128 HydrophobicContact CE-CD1 3.39Å; M94-Y128 HydrophobicContact CE-CD2 3.81Å; M94-Y128 HydrophobicContact CE-CE1 3.45Å; M94-Y128 VanDerWaalsContact CE-CE1 3.45Å; M94-Y128 HydrophobicContact CE-CE2 3.89Å; M94-Y128 HydrophobicContact CE-CG 3.57Å; M94-S135 WeakPolarHBondContact CE-OG 3.42Å; M94-S135 VanDerWaalsContact SD-CA 3.57Å; M94-A138 HydrophobicContact CB-CB 3.79Å; M94-A138 HydrophobicContact CG-CB 4.24Å; M94-A138 HydrophobicContact SD-CB 4.12Å; M94-Y143 HydrophobicContact CB-CD1 4.01Å; M94-Y143 HydrophobicContact CB-CE1 3.91Å; M94-Q148 PolarHBondContact O-NE2 2.94Å; M94-M171 HydrophobicContact CE-CE 3.59Å; M94-M171 HydrophobicContact CG-CB 4.13Å; M94-M171 HydrophobicContact CG-CE 3.75Å; M94-M171 HydrophobicContact SD-CE 4.44Å; M94-F186 WeakPolarHBondContact O-CE2 3.43Å
95	C	94.4	Very high	89.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-76.7	165.7	168.6	62.3	0	0	0	0	111	T125 Y143 F175 L178 Y182 F186	C95-T125 PolarHBondContact O-OG1 3.4Å; C95-Y143 VanDerWaalsContact O-CD1 3.22Å; C95-Y143 WeakPolarHBondContact O-CD1 3.49Å; C95-F175 HydrophobicContact CB-CD2 3.83Å; C95-F175 HydrophobicContact CB-CE2 4.48Å; C95-L178 HydrophobicContact CB-CD1 4.21Å; C95-Y182 HydrophobicContact CB-CE1 4.23Å; C95-F186 HydrophobicContact CB-CD2 4.49Å; C95-F186 HydrophobicContact CB-CE2 4.14Å; C95-F186 HydrophobicContact CB-CZ 4.33Å
96	K	93.4	Very high	91.1	Very high	81 Å²	81	37 Å²	37	35%	0.352	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-53.5	144.2	179.9	66.8	179.4	177.2	178.2	0	111.6	H98 L178 Y182	K96-H98 PolarHBondContact O-N 3.43Å; K96-H98 PolarHBondContact O-ND1 3.2Å; K96-L178 HydrophobicContact CG-CD1 4.46Å; K96-Y182 HydrophobicContact CB-CE2 4.44Å; K96-Y182 WeakPolarHBondContact CB-OH 3.49Å; K96-Y182 HydrophobicContact CD-CD2 4.06Å; K96-Y182 HydrophobicContact CD-CE1 4.35Å; K96-Y182 HydrophobicContact CD-CE2 3.63Å; K96-Y182 HydrophobicContact CG-CE1 4.06Å; K96-Y182 HydrophobicContact CG-CE2 4.01Å; K96-Y182 PolarHBondContact N-OH 2.53Å
97	P	94.5	Very high	92.7	Very high	31 Å²	31	38 Å²	38	20%	0.201	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-54.2	130.6	168.3	-27	36.4	0	0	0	111	P117 S124 Y143	P97-P117 HydrophobicContact CB-CG 4.35Å; P97-S124 WeakPolarHBondContact CB-O 3.46Å; P97-Y143 VanDerWaalsContact CD-CE2 3.42Å; P97-Y143 HydrophobicContact CG-CD2 4.2Å; P97-Y143 HydrophobicContact CG-CE1 4.3Å; P97-Y143 HydrophobicContact CG-CE2 3.54Å
98	H	93.9	Very high	93.6	Very high	25 Å²	25	43 Å²	43	12%	0.116	24%	0.236	C	C	.	.			trans	-155.7	159	176.8	61.5	-77.6	0	0	0	109.4	K96 T174 L178	K96-H98 PolarHBondContact O-N 3.43Å; K96-H98 PolarHBondContact O-ND1 3.2Å; H98-T174 PolarHBondContact CE1-OG1 3.47Å; H98-T174 WeakPolarHBondContact NE2-CB 3.35Å; H98-T174 PolarHBondContact NE2-O 3.31Å; H98-T174 PolarHBondContact NE2-OG1 3.38Å; H98-L178 HydrophobicContact CB-CD2 3.95Å
99	R	93.4	Very high	94	Very high	150 Å²	150	44.4 Å²	44.4	57%	0.566	24%	0.243	S	C	*	.			trans	-73.2	145.5	179.1	-68.8	-177.7	174	149	0.4	110.9	I103 P117 D118	R99-I103 HydrophobicContact CB-CG2 4.48Å; R99-P117 HydrophobicContact CG-CB 4.47Å; R99-P117 HydrophobicContact CG-CG 4.39Å; R99-D118 WeakPolarHBondContact CD-OD2 3.48Å; R99-D118 WeakPolarHBondContact CG-OD2 3.48Å; R99-D118 IonicContact CZ-OD1 2.79Å; R99-D118 VanDerWaalsContact CZ-OD1 3.24Å; R99-D118 IonicContact CZ-OD2 2.88Å; R99-D118 VanDerWaalsContact NE-CG 3.3Å; R99-D118 IonicContact NE-OD1 3.55Å; R99-D118 PolarHBondContact NE-OD1 3.49Å; R99-D118 IonicContact NE-OD2 2.82Å; R99-D118 PolarHBondContact NE-OD2 3.31Å; R99-D118 IonicContact NH2-OD1 3.62Å; R99-D118 PolarHBondContact NH2-OD1 2.94Å; R99-D118 IonicContact NH2-OD2 2.9Å
100	C	93.6	Very high	94.3	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.074	25%	0.245	C	C	.	.			trans	-61.5	139.5	169.4	-90.6	0	0	0	0	110.7	H102 I103 I109	C100-H102 VanDerWaalsContact C-N 3.3Å; C100-H102 PolarHBondContact O-N 3.09Å; C100-I103 WeakPolarHBondContact O-CG2 3.38Å; C100-I103 PolarHBondContact O-N 2.76Å; C100-I109 HydrophobicContact CB-CG2 4.44Å
101	P	93.9	Very high	94.5	Very high	25 Å²	25	43.5 Å²	43.5	16%	0.162	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.2	-175.6	25.7	-34.1	0	0	0	113.6	I103 S104 A177 Y227	P101-I103 PolarHBondContact O-N 3.36Å; P101-S104 PolarHBondContact O-N 2.89Å; P101-S104 PolarHBondContact O-OG 3.33Å; P101-A177 HydrophobicContact CB-CB 4.18Å; P101-A177 HydrophobicContact CG-CB 3.82Å; P101-Y227 HydrophobicContact CB-CE2 3.99Å; P101-Y227 WeakPolarHBondContact CB-OH 3.3Å; P101-Y227 HydrophobicContact CG-CD2 4.29Å; P101-Y227 HydrophobicContact CG-CE2 3.32Å; P101-Y227 WeakPolarHBondContact CG-OH 3.31Å
102	H	94.7	Very high	94.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13	-178.6	67	-87.5	0	0	0	114.6	C100 S104 F105 T106	C100-H102 VanDerWaalsContact C-N 3.3Å; C100-H102 PolarHBondContact O-N 3.09Å; H102-S104 PolarHBondContact O-N 3.41Å; H102-F105 VanDerWaalsContact CA-CE1 3.41Å; H102-F105 VanDerWaalsContact CA-CZ 3.5Å; H102-F105 HydrophobicContact CB-CE1 3.86Å; H102-F105 HydrophobicContact CB-CE2 3.8Å; H102-F105 HydrophobicContact CB-CZ 3.36Å; H102-F105 PolarHBondContact O-N 3.1Å; H102-T106 HydrophobicContact CB-CG2 4.33Å; H102-T106 PolarHBondContact CD2-OG1 3.41Å; H102-T106 WeakPolarHBondContact O-CB 3.33Å; H102-T106 PolarHBondContact O-N 3.45Å; H102-T106 PolarHBondContact O-OG1 3.5Å
103	I	94.4	Very high	94.3	Very high	45 Å²	45	44 Å²	44	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-30.4	177.5	-160.7	172.8	0	0	0	111.7	R99 C100 P101 F105 G107 I109	R99-I103 HydrophobicContact CB-CG2 4.48Å; C100-I103 WeakPolarHBondContact O-CG2 3.38Å; C100-I103 PolarHBondContact O-N 2.76Å; P101-I103 PolarHBondContact O-N 3.36Å; I103-F105 VanDerWaalsContact C-N 3.28Å; I103-F105 PolarHBondContact O-N 3.41Å; I103-G107 VanDerWaalsContact O-CA 3.31Å; I103-G107 WeakPolarHBondContact O-CA 3.17Å; I103-G107 PolarHBondContact O-N 3.13Å; I103-I109 HydrophobicContact CD1-CG2 4.39Å
104	S	92.8	Very high	94.1	Very high	102 Å²	102	44.1 Å²	44.1	71%	0.713	24%	0.238	S	C	*	.	H	α-helix	trans	-65.5	-28.2	-177.9	61.3	0	0	0	0	113.7	P101 H102	P101-S104 PolarHBondContact O-N 2.89Å; P101-S104 PolarHBondContact O-OG 3.33Å; H102-S104 PolarHBondContact O-N 3.41Å
105	F	93.4	Very high	93.8	Very high	136 Å²	136	44.2 Å²	44.2	60%	0.596	24%	0.24	S	C	*	.	H	α-helix	trans	-118.7	-15.8	-177	59.3	-102	0	0	0	114.1	H102 I103	H102-F105 VanDerWaalsContact CA-CE1 3.41Å; H102-F105 VanDerWaalsContact CA-CZ 3.5Å; H102-F105 HydrophobicContact CB-CE1 3.86Å; H102-F105 HydrophobicContact CB-CE2 3.8Å; H102-F105 HydrophobicContact CB-CZ 3.36Å; H102-F105 PolarHBondContact O-N 3.1Å; I103-F105 VanDerWaalsContact C-N 3.28Å; I103-F105 PolarHBondContact O-N 3.41Å
106	T	94.7	Very high	93.6	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	24%	0.241	S	C	.	.	H	α-helix	trans	-101.9	-12.1	174	62	0	0	0	0	113.5	H102 N108 N260	H102-T106 HydrophobicContact CB-CG2 4.33Å; H102-T106 PolarHBondContact CD2-OG1 3.41Å; H102-T106 WeakPolarHBondContact O-CB 3.33Å; H102-T106 PolarHBondContact O-N 3.45Å; H102-T106 PolarHBondContact O-OG1 3.5Å; T106-N108 PolarHBondContact O-N 2.96Å; T106-N108 PolarHBondContact OG1-O 3.32Å; T106-N260 WeakPolarHBondContact CB-OD1 3.29Å; T106-N260 WeakPolarHBondContact CG2-OD1 3.25Å
107	G	93.6	Very high	93.5	Very high	48 Å²	48	43.4 Å²	43.4	50%	0.495	24%	0.243	S	C	.	.	S	Bend	trans	82.5	-27.7	-179.4	0	0	0	0	0	115	I103	I103-G107 VanDerWaalsContact O-CA 3.31Å; I103-G107 WeakPolarHBondContact O-CA 3.17Å; I103-G107 PolarHBondContact O-N 3.13Å
108	N	91.9	Very high	93.2	Very high	113 Å²	113	46 Å²	46	60%	0.604	26%	0.255	S	S	*	.	S	Bend	trans	-142.6	170.9	-176.7	-71.4	-53.9	0	0	0	112.1	T106 N260	T106-N108 PolarHBondContact O-N 2.96Å; T106-N108 PolarHBondContact OG1-O 3.32Å; N108-N260 PolarHBondContact O-ND2 3Å
109	I	92.8	Very high	93	Very high	49 Å²	49	46.3 Å²	46.3	25%	0.251	26%	0.261	S	S	.	.			trans	-80.2	176.6	171.4	59.9	170.5	0	0	0	112.1	C100 I103 C113 N260	C100-I109 HydrophobicContact CB-CG2 4.44Å; I103-I109 HydrophobicContact CD1-CG2 4.39Å; I109-C113 HydrophobicContact CD1-CB 4.43Å; I109-N260 PolarHBondContact O-ND2 3.48Å
110	C	95.6	Very high	92.7	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.041	27%	0.265	C	S	.	.			trans	-63.3	141.8	176.3	-47.4	0	0	0	0	112	Y112 C113 T259 N260 R261	C110-Y112 VanDerWaalsContact C-N 3.3Å; C110-Y112 HydrophobicContact CB-CE1 4.32Å; C110-Y112 HydrophobicContact CB-CE2 4.35Å; C110-Y112 PolarHBondContact O-N 3.39Å; C110-Y112 VanDerWaalsContact O-N 3.17Å; C110-C113 HydrophobicContact CB-CB 4.09Å; C110-C113 WeakPolarHBondContact O-CB 3.46Å; C110-C113 PolarHBondContact O-N 3.36Å; C110-T259 WeakPolarHBondContact CA-O 3.43Å; C110-N260 PolarHBondContact SG-O 3.25Å; C110-R261 PolarHBondContact SG-NH1 3.38Å; C110-R261 VanDerWaalsContact SG-NH1 3.39Å
111	V	96.9	Very high	92.5	Very high	30 Å²	30	46 Å²	46	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.3	-170.8	171.8	0	0	0	0	113.9	T259 G328 L329 L332	V111-T259 WeakPolarHBondContact CG2-O 3.48Å; V111-T259 PolarHBondContact N-O 2.99Å; V111-G328 CarbonylContact O-C 3.32Å; V111-G328 WeakPolarHBondContact O-CA 3.46Å; V111-G328 PolarHBondContact O-N 3.44Å; V111-L329 HydrophobicContact CG1-CB 4.15Å; V111-L329 PolarHBondContact O-N 2.96Å; V111-L332 HydrophobicContact CG1-CD1 4.17Å
112	Y	95.1	Very high	92	Very high	18 Å²	18	53.4 Å²	53.4	7%	0.071	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	-176.6	53.7	-99.9	0	0	0	114	C110 P114 Q249 T259 R261 M287 L290	C110-Y112 VanDerWaalsContact C-N 3.3Å; C110-Y112 HydrophobicContact CB-CE1 4.32Å; C110-Y112 HydrophobicContact CB-CE2 4.35Å; C110-Y112 PolarHBondContact O-N 3.39Å; C110-Y112 VanDerWaalsContact O-N 3.17Å; Y112-P114 VanDerWaalsContact O-CD 3.26Å; Y112-P114 WeakPolarHBondContact O-CD 3.38Å; Y112-Q249 WeakPolarHBondContact OH-CG 3.26Å; Y112-T259 HydrophobicContact CD1-CG2 4.35Å; Y112-T259 HydrophobicContact CE1-CG2 4.29Å; Y112-R261 WeakPolarHBondContact OH-CD 3.32Å; Y112-M287 HydrophobicContact CD2-CE 3.7Å; Y112-M287 HydrophobicContact CD2-SD 3.95Å; Y112-M287 HydrophobicContact CE2-CE 4.08Å; Y112-M287 HydrophobicContact CE2-SD 3.68Å; Y112-M287 HydrophobicContact CG-CE 4.03Å; Y112-L290 HydrophobicContact CD1-CD2 3.68Å; Y112-L290 HydrophobicContact CE1-CD2 3.96Å; Y112-L290 HydrophobicContact CG-CD2 4.29Å
113	C	94.4	Very high	91.6	Very high	11 Å²	11	59.5 Å²	59.5	7%	0.074	32%	0.324	C	S	.	.			trans	-84.6	113.8	-170.2	-168.6	0	0	0	0	111.5	I109 C110 Q126 S127	I109-C113 HydrophobicContact CD1-CB 4.43Å; C110-C113 HydrophobicContact CB-CB 4.09Å; C110-C113 WeakPolarHBondContact O-CB 3.46Å; C110-C113 PolarHBondContact O-N 3.36Å; C113-Q126 PolarHBondContact SG-NE2 3.1Å; C113-S127 PolarHBondContact SG-OG 3.22Å
114	P	92.5	Very high	91.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	31%	0.314	C	S	.	.			trans	-81.3	164.5	176.1	36.5	-38.4	0	0	0	111.8	Y112 S127 T129 I324 T327	Y112-P114 VanDerWaalsContact O-CD 3.26Å; Y112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-S127 CarbonylContact O-C 3.58Å; P114-S127 WeakPolarHBondContact O-CA 3.12Å; P114-S127 PolarHBondContact O-N 3.24Å; P114-T129 HydrophobicContact CB-CG2 4.42Å; P114-I324 HydrophobicContact CB-CB 4.24Å; P114-I324 HydrophobicContact CB-CD1 3.84Å; P114-I324 HydrophobicContact CB-CG2 3.94Å; P114-I324 HydrophobicContact CG-CD1 3.75Å; P114-T327 HydrophobicContact CB-CG2 3.99Å
115	G	90.3	Very high	91.2	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	28%	0.28	C	S	.	.			trans	68.8	-163.8	168.2	0	0	0	0	0	114.8	S119 Q126 Y128	G115-S119 WeakPolarHBondContact CA-OG 3.44Å; G115-S119 WeakPolarHBondContact O-CB 3.42Å; G115-S119 PolarHBondContact O-OG 2.9Å; G115-Q126 PolarHBondContact O-NE2 3.32Å; G115-Q126 VanDerWaalsContact O-NE2 3.16Å; G115-Y128 WeakPolarHBondContact CA-O 3.38Å
116	G	90.3	Very high	91	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	90.7	177.2	-176.8	0	0	0	0	0	113.4	D118 S119 S124	G116-D118 PolarHBondContact O-N 3.49Å; G116-S119 PolarHBondContact N-OG 2.67Å; G116-S119 PolarHBondContact O-N 3.29Å; G116-S119 PolarHBondContact O-OG 2.94Å; G116-S124 WeakPolarHBondContact CA-O 3.43Å; G116-S124 PolarHBondContact N-OG 3.29Å
117	P	90	Very high	90.8	Very high	61 Å²	61	45.6 Å²	45.6	40%	0.396	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.6	-171.6	-24.9	35	0	0	0	115.2	P97 R99	P97-P117 HydrophobicContact CB-CG 4.35Å; R99-P117 HydrophobicContact CG-CB 4.47Å; R99-P117 HydrophobicContact CG-CG 4.39Å
118	D	89.2	Confident	90.7	Very high	85 Å²	85	44.6 Å²	44.6	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	28.6	-176.2	-55.4	-46.2	0	0	0	111.9	R99 G116	R99-D118 WeakPolarHBondContact CD-OD2 3.48Å; R99-D118 WeakPolarHBondContact CG-OD2 3.48Å; R99-D118 IonicContact CZ-OD1 2.79Å; R99-D118 VanDerWaalsContact CZ-OD1 3.24Å; R99-D118 IonicContact CZ-OD2 2.88Å; R99-D118 VanDerWaalsContact NE-CG 3.3Å; R99-D118 IonicContact NE-OD1 3.55Å; R99-D118 PolarHBondContact NE-OD1 3.49Å; R99-D118 IonicContact NE-OD2 2.82Å; R99-D118 PolarHBondContact NE-OD2 3.31Å; R99-D118 IonicContact NH2-OD1 3.62Å; R99-D118 PolarHBondContact NH2-OD1 2.94Å; R99-D118 IonicContact NH2-OD2 2.9Å; G116-D118 PolarHBondContact O-N 3.49Å
119	S	89.8	Confident	90.7	Very high	33 Å²	33	39.3 Å²	39.3	23%	0.231	20%	0.203	C	C	.	.	S	Bend	trans	-125	166.4	-177.6	77.1	0	0	0	0	112.3	G115 G116 F121	G115-S119 WeakPolarHBondContact CA-OG 3.44Å; G115-S119 WeakPolarHBondContact O-CB 3.42Å; G115-S119 PolarHBondContact O-OG 2.9Å; G116-S119 PolarHBondContact N-OG 2.67Å; G116-S119 PolarHBondContact O-N 3.29Å; G116-S119 PolarHBondContact O-OG 2.94Å; S119-F121 PolarHBondContact O-N 2.97Å; S119-F121 VanDerWaalsContact O-N 3.15Å; S119-F121 PolarHBondContact OG-N 3.2Å
120	D	87.3	Confident	90.7	Very high	124 Å²	124	37.3 Å²	37.3	66%	0.663	19%	0.194	S	C	*	.	S	Bend	trans	-66.7	-8.8	174.2	-65.8	-12.8	0	0	0	113.5	E122	D120-E122 PolarHBondContact O-N 3.45Å
121	F	88	Confident	90.5	Very high	30 Å²	30	43.6 Å²	43.6	13%	0.132	22%	0.218	C	C	.	.	S	Bend	trans	-86.9	102.8	-179.5	-67.4	-76	0	0	0	111.1	S119 Y123 S124 T129 Y131 I324 L374	S119-F121 PolarHBondContact O-N 2.97Å; S119-F121 VanDerWaalsContact O-N 3.15Å; S119-F121 PolarHBondContact OG-N 3.2Å; F121-Y123 PolarHBondContact O-N 3.3Å; F121-S124 WeakPolarHBondContact CB-OG 3.26Å; F121-S124 PolarHBondContact O-N 3.47Å; F121-S124 PolarHBondContact O-OG 2.99Å; F121-T129 HydrophobicContact CD1-CG2 4.48Å; F121-T129 WeakPolarHBondContact CD1-O 3.29Å; F121-T129 HydrophobicContact CE1-CG2 4Å; F121-T129 HydrophobicContact CE2-CG2 4.22Å; F121-T129 HydrophobicContact CZ-CG2 3.85Å; F121-Y131 HydrophobicContact CD1-CD2 4.41Å; F121-Y131 HydrophobicContact CD1-CE2 4.1Å; F121-Y131 HydrophobicContact CE1-CD2 4.45Å; F121-Y131 HydrophobicContact CE1-CE2 4.28Å; F121-I324 HydrophobicContact CE2-CG2 4.16Å; F121-I324 HydrophobicContact CZ-CG2 4.05Å; F121-L374 HydrophobicContact CE1-CD1 4.43Å; F121-L374 HydrophobicContact CE1-CD2 4.45Å
122	E	83.7	Confident	90.3	Very high	180 Å²	180	42.5 Å²	42.5	84%	0.841	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	126.6	-178.3	-68.3	-172.8	175.6	0	0	113.1	D120 S124	D120-E122 PolarHBondContact O-N 3.45Å; E122-S124 PolarHBondContact O-N 2.89Å
123	Y	86.5	Confident	90.1	Very high	129 Å²	129	45 Å²	45	51%	0.506	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	31.7	171.1	-155.2	-121.8	0	0	0	114.6	F121 I139 Y143	F121-Y123 PolarHBondContact O-N 3.3Å; Y123-I139 HydrophobicContact CD1-CG1 4.29Å; Y123-I139 HydrophobicContact CD1-CG2 4.21Å; Y123-Y143 HydrophobicContact CD1-CD2 4.26Å; Y123-Y143 AromaticContact CD1-CE2 3.59Å; Y123-Y143 HydrophobicContact CD1-CE2 3.59Å; Y123-Y143 AromaticContact CE1-CD2 3.53Å; Y123-Y143 HydrophobicContact CE1-CD2 3.53Å; Y123-Y143 AromaticContact CE1-CE2 3.34Å; Y123-Y143 HydrophobicContact CE1-CE2 3.34Å; Y123-Y143 HydrophobicContact CG-CE2 4.3Å; Y123-Y143 AromaticContact CZ-CD2 3.8Å; Y123-Y143 AromaticContact CZ-CE2 3.87Å; Y123-Y143 PolarHBondContact O-OH 2.86Å
124	S	89.4	Confident	90	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-92.8	143.7	-179.5	67.1	0	0	0	0	112.9	P97 G116 F121 E122 Y128	P97-S124 WeakPolarHBondContact CB-O 3.46Å; G116-S124 WeakPolarHBondContact CA-O 3.43Å; G116-S124 PolarHBondContact N-OG 3.29Å; F121-S124 WeakPolarHBondContact CB-OG 3.26Å; F121-S124 PolarHBondContact O-N 3.47Å; F121-S124 PolarHBondContact O-OG 2.99Å; E122-S124 PolarHBondContact O-N 2.89Å; S124-Y128 WeakPolarHBondContact CB-O 3.31Å
125	T	90	Very high	90	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-71.7	147.9	169.7	-50.6	0	0	0	0	110.3	C95 S127 Y128 Y143	C95-T125 PolarHBondContact O-OG1 3.4Å; T125-S127 PolarHBondContact O-N 3.08Å; T125-Y128 WeakPolarHBondContact O-CB 3.17Å; T125-Y128 PolarHBondContact O-N 3.37Å; T125-Y128 VanDerWaalsContact O-N 3.11Å; T125-Y143 WeakPolarHBondContact OG1-CE1 3.47Å; T125-Y143 PolarHBondContact OG1-OH 2.97Å
126	Q	89.9	Confident	90.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	136.9	177.4	-167.8	68.3	55.8	0	0	112.3	C113 G115 Y128	C113-Q126 PolarHBondContact SG-NE2 3.1Å; G115-Q126 PolarHBondContact O-NE2 3.32Å; G115-Q126 VanDerWaalsContact O-NE2 3.16Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 VanDerWaalsContact O-CD2 3.28Å; Q126-Y128 WeakPolarHBondContact O-CD2 3.47Å
127	S	89.8	Confident	90.4	Very high	28 Å²	28	52.9 Å²	52.9	20%	0.196	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	6.9	-177.3	-36	0	0	0	0	115.6	C113 P114 T125 R368	C113-S127 PolarHBondContact SG-OG 3.22Å; P114-S127 CarbonylContact O-C 3.58Å; P114-S127 WeakPolarHBondContact O-CA 3.12Å; P114-S127 PolarHBondContact O-N 3.24Å; T125-S127 PolarHBondContact O-N 3.08Å; S127-R368 PolarHBondContact O-NH1 2.76Å; S127-R368 PolarHBondContact O-NH2 2.76Å
128	Y	91.9	Very high	90.7	Very high	27 Å²	27	50 Å²	50	11%	0.106	24%	0.244	C	C	.	.			trans	-131.3	148.6	179.9	-63.8	-87.5	0	0	0	111.1	M94 G115 S124 T125 Q126 E132 E222	M94-Y128 HydrophobicContact CE-CD1 3.39Å; M94-Y128 HydrophobicContact CE-CD2 3.81Å; M94-Y128 HydrophobicContact CE-CE1 3.45Å; M94-Y128 VanDerWaalsContact CE-CE1 3.45Å; M94-Y128 HydrophobicContact CE-CE2 3.89Å; M94-Y128 HydrophobicContact CE-CG 3.57Å; G115-Y128 WeakPolarHBondContact CA-O 3.38Å; S124-Y128 WeakPolarHBondContact CB-O 3.31Å; T125-Y128 WeakPolarHBondContact O-CB 3.17Å; T125-Y128 PolarHBondContact O-N 3.37Å; T125-Y128 VanDerWaalsContact O-N 3.11Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 VanDerWaalsContact O-CD2 3.28Å; Q126-Y128 WeakPolarHBondContact O-CD2 3.47Å; Y128-E132 HydrophobicContact CD1-CG 4.45Å; Y128-E222 PolarHBondContact OH-OE2 3.47Å
129	T	91.7	Very high	91	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	24%	0.235	C	C	.	.			trans	-90	-12.2	-177.5	66.1	0	0	0	0	113.6	P114 F121 Y131 E132 I370 L374	P114-T129 HydrophobicContact CB-CG2 4.42Å; F121-T129 HydrophobicContact CD1-CG2 4.48Å; F121-T129 WeakPolarHBondContact CD1-O 3.29Å; F121-T129 HydrophobicContact CE1-CG2 4Å; F121-T129 HydrophobicContact CE2-CG2 4.22Å; F121-T129 HydrophobicContact CZ-CG2 3.85Å; T129-Y131 VanDerWaalsContact C-N 3.27Å; T129-Y131 WeakPolarHBondContact O-CD2 3.47Å; T129-Y131 PolarHBondContact O-N 3.17Å; T129-Y131 PolarHBondContact OG1-N 2.76Å; T129-E132 PolarHBondContact N-OE1 3.11Å; T129-E132 PolarHBondContact N-OE2 3.07Å; T129-E132 PolarHBondContact OG1-OE1 3.22Å; T129-I370 HydrophobicContact CG2-CG2 4.48Å; T129-L374 HydrophobicContact CG2-CD1 4Å; T129-L374 WeakPolarHBondContact OG1-CD1 3.34Å
130	G	91.8	Very high	91.2	Very high	7 Å²	7	57.3 Å²	57.3	7%	0.072	26%	0.264	C	S	.	.	S	Bend	trans	91.3	-18.1	-175	0	0	0	0	0	113.5	E132 M136	G130-E132 PolarHBondContact N-OE2 3.41Å; G130-M136 WeakPolarHBondContact O-CG 3.44Å; G130-M136 PolarHBondContact O-N 2.79Å
131	Y	92.3	Very high	91.7	Very high	139 Å²	139	51.7 Å²	51.7	55%	0.545	23%	0.234	S	C	.	.			trans	-93.3	-3.9	-178.8	-63.8	-79.3	0	0	0	113.8	F121 T129 M136 L374	F121-Y131 HydrophobicContact CD1-CD2 4.41Å; F121-Y131 HydrophobicContact CD1-CE2 4.1Å; F121-Y131 HydrophobicContact CE1-CD2 4.45Å; F121-Y131 HydrophobicContact CE1-CE2 4.28Å; T129-Y131 VanDerWaalsContact C-N 3.27Å; T129-Y131 WeakPolarHBondContact O-CD2 3.47Å; T129-Y131 PolarHBondContact O-N 3.17Å; T129-Y131 PolarHBondContact OG1-N 2.76Å; Y131-M136 WeakPolarHBondContact O-CE 3.46Å; Y131-L374 HydrophobicContact CD2-CD1 3.66Å; Y131-L374 HydrophobicContact CD2-CD2 4.49Å; Y131-L374 HydrophobicContact CG-CD1 4.12Å
132	E	91.8	Very high	92.1	Very high	7 Å²	7	59.8 Å²	59.8	3%	0.033	26%	0.264	C	S	.	.	S	Bend	trans	-68.2	146.9	172.6	-51.7	84.9	172	0	0	110	Y128 T129 G130 T134 S135 M136 D369	Y128-E132 HydrophobicContact CD1-CG 4.45Å; T129-E132 PolarHBondContact N-OE1 3.11Å; T129-E132 PolarHBondContact N-OE2 3.07Å; T129-E132 PolarHBondContact OG1-OE1 3.22Å; G130-E132 PolarHBondContact N-OE2 3.41Å; E132-T134 PolarHBondContact O-N 3.47Å; E132-S135 PolarHBondContact O-N 3.19Å; E132-S135 VanDerWaalsContact OE2-CB 3.29Å; E132-S135 WeakPolarHBondContact OE2-CB 3.35Å; E132-S135 PolarHBondContact OE2-OG 3.44Å; E132-M136 PolarHBondContact O-N 3.17Å; E132-D369 WeakPolarHBondContact CG-O 3.27Å
133	P	91.1	Very high	92.6	Very high	70 Å²	70	51.6 Å²	51.6	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-54.6	-32.6	-177.2	-29.4	35.6	0	0	0	114.3	R137	P133-R137 VanDerWaalsContact C-NH1 3.26Å; P133-R137 WeakPolarHBondContact O-CG 3.42Å; P133-R137 PolarHBondContact O-NH1 3.46Å
134	T	92.8	Very high	93.2	Very high	21 Å²	21	47.6 Å²	47.6	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-78.6	-41.1	177	-52.1	0	0	0	0	112.2	A92 E132 M136 R137 A138 M171	A92-T134 HydrophobicContact CB-CG2 4.1Å; A92-T134 WeakPolarHBondContact O-CG2 3.28Å; E132-T134 PolarHBondContact O-N 3.47Å; T134-M136 PolarHBondContact O-N 2.9Å; T134-R137 PolarHBondContact O-N 3.35Å; T134-R137 PolarHBondContact OG1-NH2 3.31Å; T134-A138 PolarHBondContact O-N 2.91Å; T134-M171 HydrophobicContact CG2-CE 3.19Å
135	S	93.7	Very high	93.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-46.6	174.7	-43.8	0	0	0	0	111.6	M94 E132 R137 A138 I139	M94-S135 WeakPolarHBondContact CE-OG 3.42Å; M94-S135 VanDerWaalsContact SD-CA 3.57Å; E132-S135 PolarHBondContact O-N 3.19Å; E132-S135 VanDerWaalsContact OE2-CB 3.29Å; E132-S135 WeakPolarHBondContact OE2-CB 3.35Å; E132-S135 PolarHBondContact OE2-OG 3.44Å; S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 2.91Å; S135-A138 WeakPolarHBondContact O-CB 3.42Å; S135-A138 PolarHBondContact O-N 3.3Å; S135-I139 WeakPolarHBondContact O-CG1 3.28Å; S135-I139 PolarHBondContact O-N 2.85Å
136	M	93.9	Very high	93.9	Very high	96 Å²	96	50.1 Å²	50.1	47%	0.473	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-37.6	176.6	-68.9	-170.8	-71.7	0	0	112.7	G130 Y131 E132 T134 R140	G130-M136 WeakPolarHBondContact O-CG 3.44Å; G130-M136 PolarHBondContact O-N 2.79Å; Y131-M136 WeakPolarHBondContact O-CE 3.46Å; E132-M136 PolarHBondContact O-N 3.17Å; T134-M136 PolarHBondContact O-N 2.9Å; M136-R140 WeakPolarHBondContact O-CB 3.48Å; M136-R140 PolarHBondContact O-N 3.06Å; M136-R140 VanDerWaalsContact O-N 3.07Å
137	R	94.5	Very high	94.3	Very high	65 Å²	65	53.3 Å²	53.3	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-69.2	-39.9	175.2	-71.8	-170.5	-50.7	-84.6	1.2	111.7	P133 T134 S135 A141	P133-R137 VanDerWaalsContact C-NH1 3.26Å; P133-R137 WeakPolarHBondContact O-CG 3.42Å; P133-R137 PolarHBondContact O-NH1 3.46Å; T134-R137 PolarHBondContact O-N 3.35Å; T134-R137 PolarHBondContact OG1-NH2 3.31Å; S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 2.91Å; R137-A141 WeakPolarHBondContact O-CB 3.4Å; R137-A141 PolarHBondContact O-N 3.11Å
138	A	95.5	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-46.5	177.5	0	0	0	0	0	111.4	M94 T134 S135 R140 A141 R142 Y143	M94-A138 HydrophobicContact CB-CB 3.79Å; M94-A138 HydrophobicContact CG-CB 4.24Å; M94-A138 HydrophobicContact SD-CB 4.12Å; T134-A138 PolarHBondContact O-N 2.91Å; S135-A138 WeakPolarHBondContact O-CB 3.42Å; S135-A138 PolarHBondContact O-N 3.3Å; A138-R140 PolarHBondContact O-N 3.14Å; A138-A141 CarbonylContact O-C 3.54Å; A138-A141 PolarHBondContact O-N 3.38Å; A138-A141 VanDerWaalsContact O-N 3.13Å; A138-R142 PolarHBondContact O-N 3.26Å; A138-Y143 HydrophobicContact CB-CD1 3.78Å; A138-Y143 HydrophobicContact CB-CE1 3.64Å; A138-Y143 PolarHBondContact O-N 3.23Å
139	I	95.3	Very high	94.9	Very high	53 Å²	53	51.3 Å²	51.3	27%	0.272	23%	0.229	S	C	.	.	H	α-helix	trans	-58.3	-48.6	175.6	-68.6	166.7	0	0	0	110.8	Y123 S135 A141 R142 Y143	Y123-I139 HydrophobicContact CD1-CG1 4.29Å; Y123-I139 HydrophobicContact CD1-CG2 4.21Å; S135-I139 WeakPolarHBondContact O-CG1 3.28Å; S135-I139 PolarHBondContact O-N 2.85Å; I139-A141 PolarHBondContact O-N 3Å; I139-R142 WeakPolarHBondContact O-CA 3.33Å; I139-R142 PolarHBondContact O-N 2.97Å; I139-Y143 HydrophobicContact CG1-CE2 4.2Å
140	R	95.5	Very high	95.1	Very high	220 Å²	220	56.6 Å²	56.6	83%	0.83	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-33.5	177.3	-178.7	177.1	172	-177	-1.9	112.8	M136 A138 R142	M136-R140 WeakPolarHBondContact O-CB 3.48Å; M136-R140 PolarHBondContact O-N 3.06Å; M136-R140 VanDerWaalsContact O-N 3.07Å; A138-R140 PolarHBondContact O-N 3.14Å; R140-R142 VanDerWaalsContact C-N 3.27Å
141	A	96.4	Very high	95.3	Very high	5 Å²	5	60.6 Å²	60.6	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.1	175.7	0	0	0	0	0	113.1	R137 A138 I139 Y143 D144 L147 Q148	R137-A141 WeakPolarHBondContact O-CB 3.4Å; R137-A141 PolarHBondContact O-N 3.11Å; A138-A141 CarbonylContact O-C 3.54Å; A138-A141 PolarHBondContact O-N 3.38Å; A138-A141 VanDerWaalsContact O-N 3.13Å; I139-A141 PolarHBondContact O-N 3Å; A141-Y143 PolarHBondContact O-N 2.95Å; A141-D144 VanDerWaalsContact O-CB 3.24Å; A141-D144 WeakPolarHBondContact O-CB 3.34Å; A141-D144 PolarHBondContact O-N 2.95Å; A141-L147 HydrophobicContact CB-CB 4.19Å; A141-Q148 HydrophobicContact CB-CG 3.67Å
142	R	95.9	Very high	95.4	Very high	201 Å²	201	55.3 Å²	55.3	76%	0.758	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.4	-173	-62.3	-174	-74.7	-140.3	-0.5	112.8	A138 I139 R140 D144	A138-R142 PolarHBondContact O-N 3.26Å; I139-R142 WeakPolarHBondContact O-CA 3.33Å; I139-R142 PolarHBondContact O-N 2.97Å; R140-R142 VanDerWaalsContact C-N 3.27Å; R142-D144 PolarHBondContact O-N 3.44Å; R142-D144 VanDerWaalsContact O-N 3.11Å
143	Y	95.9	Very high	95.5	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.027	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	19.4	-176.9	-61.6	-86.6	0	0	0	115	M94 C95 P97 Y123 T125 A138 I139 A141 P145 Q148	M94-Y143 HydrophobicContact CB-CD1 4.01Å; M94-Y143 HydrophobicContact CB-CE1 3.91Å; C95-Y143 VanDerWaalsContact O-CD1 3.22Å; C95-Y143 WeakPolarHBondContact O-CD1 3.49Å; P97-Y143 VanDerWaalsContact CD-CE2 3.42Å; P97-Y143 HydrophobicContact CG-CD2 4.2Å; P97-Y143 HydrophobicContact CG-CE1 4.3Å; P97-Y143 HydrophobicContact CG-CE2 3.54Å; Y123-Y143 HydrophobicContact CD1-CD2 4.26Å; Y123-Y143 AromaticContact CD1-CE2 3.59Å; Y123-Y143 HydrophobicContact CD1-CE2 3.59Å; Y123-Y143 AromaticContact CE1-CD2 3.53Å; Y123-Y143 HydrophobicContact CE1-CD2 3.53Å; Y123-Y143 AromaticContact CE1-CE2 3.34Å; Y123-Y143 HydrophobicContact CE1-CE2 3.34Å; Y123-Y143 HydrophobicContact CG-CE2 4.3Å; Y123-Y143 AromaticContact CZ-CD2 3.8Å; Y123-Y143 AromaticContact CZ-CE2 3.87Å; Y123-Y143 PolarHBondContact O-OH 2.86Å; T125-Y143 WeakPolarHBondContact OG1-CE1 3.47Å; T125-Y143 PolarHBondContact OG1-OH 2.97Å; A138-Y143 HydrophobicContact CB-CD1 3.78Å; A138-Y143 HydrophobicContact CB-CE1 3.64Å; A138-Y143 PolarHBondContact O-N 3.23Å; I139-Y143 HydrophobicContact CG1-CE2 4.2Å; A141-Y143 PolarHBondContact O-N 2.95Å; Y143-P145 WeakPolarHBondContact O-CD 3.05Å; Y143-Q148 VanDerWaalsContact C-NE2 3.29Å; Y143-Q148 PolarHBondContact O-NE2 3.17Å
144	D	97.9	Very high	95.5	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	24%	0.241	C	C	.	.			trans	-68.6	119.1	174.1	-178	-68.7	0	0	0	110.1	A141 R142 F146 L147 Q148	A141-D144 VanDerWaalsContact O-CB 3.24Å; A141-D144 WeakPolarHBondContact O-CB 3.34Å; A141-D144 PolarHBondContact O-N 2.95Å; R142-D144 PolarHBondContact O-N 3.44Å; R142-D144 VanDerWaalsContact O-N 3.11Å; D144-F146 VanDerWaalsContact C-N 3.34Å; D144-F146 PolarHBondContact O-N 3.39Å; D144-F146 WeakPolarHBondContact OD1-CA 3.34Å; D144-F146 WeakPolarHBondContact OD1-CB 3.34Å; D144-F146 PolarHBondContact OD1-N 3.05Å; D144-L147 HydrophobicContact CB-CB 4.12Å; D144-L147 HydrophobicContact CB-CD1 4.06Å; D144-L147 HydrophobicContact CB-CG 4.18Å; D144-L147 PolarHBondContact OD1-N 3.08Å; D144-Q148 WeakPolarHBondContact O-CB 3.33Å; D144-Q148 WeakPolarHBondContact O-CG 3.35Å; D144-Q148 PolarHBondContact O-N 3.44Å; D144-Q148 PolarHBondContact O-NE2 2.97Å
145	P	97.4	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-36.3	-176.2	23.9	-34.7	0	0	0	113.3	Y143 T149 Y185 F186 N189 L190	Y143-P145 WeakPolarHBondContact O-CD 3.05Å; P145-T149 WeakPolarHBondContact O-CB 3.44Å; P145-T149 PolarHBondContact O-N 2.84Å; P145-T149 VanDerWaalsContact O-N 3.15Å; P145-T149 PolarHBondContact O-OG1 3.24Å; P145-Y185 HydrophobicContact CG-CE1 3.86Å; P145-F186 HydrophobicContact CB-CD2 3.78Å; P145-F186 HydrophobicContact CB-CE2 3.8Å; P145-F186 HydrophobicContact CB-CG 4.16Å; P145-F186 HydrophobicContact CB-CZ 4.19Å; P145-F186 HydrophobicContact CG-CD2 4.02Å; P145-F186 HydrophobicContact CG-CE2 4.4Å; P145-F186 HydrophobicContact CG-CG 4.5Å; P145-N189 HydrophobicContact CB-CB 3.96Å; P145-N189 HydrophobicContact CG-CB 3.5Å; P145-L190 HydrophobicContact CB-CD2 3.81Å; P145-L190 HydrophobicContact CB-CG 4.5Å
146	F	97.6	Very high	95.2	Very high	57 Å²	57	58.2 Å²	58.2	25%	0.25	25%	0.251	C	S	.	.	H	α-helix	trans	-70.5	-48.3	-177.5	-175.6	-90.6	0	0	0	110.4	D144 T149 R150 N189 A193	D144-F146 VanDerWaalsContact C-N 3.34Å; D144-F146 PolarHBondContact O-N 3.39Å; D144-F146 WeakPolarHBondContact OD1-CA 3.34Å; D144-F146 WeakPolarHBondContact OD1-CB 3.34Å; D144-F146 PolarHBondContact OD1-N 3.05Å; F146-T149 PolarHBondContact O-N 3.14Å; F146-R150 HydrophobicContact CD1-CG 4.25Å; F146-R150 HydrophobicContact CE1-CG 3.97Å; F146-R150 HydrophobicContact CZ-CG 4.27Å; F146-R150 WeakPolarHBondContact O-CB 3.47Å; F146-R150 PolarHBondContact O-N 2.94Å; F146-N189 HydrophobicContact CB-CB 4.19Å; F146-A193 HydrophobicContact CD2-CB 3.65Å; F146-A193 VanDerWaalsContact CE2-CA 3.49Å; F146-A193 HydrophobicContact CE2-CB 3.98Å; F146-A193 HydrophobicContact CG-CB 4.18Å
147	L	97.6	Very high	94.9	Very high	69 Å²	69	59 Å²	59	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-42.4	177.9	-65.6	-179.7	0	0	0	112.1	A141 D144 T149 R150 H151	A141-L147 HydrophobicContact CB-CB 4.19Å; D144-L147 HydrophobicContact CB-CB 4.12Å; D144-L147 HydrophobicContact CB-CD1 4.06Å; D144-L147 HydrophobicContact CB-CG 4.18Å; D144-L147 PolarHBondContact OD1-N 3.08Å; L147-T149 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 2.83Å; L147-R150 PolarHBondContact O-N 2.86Å; L147-H151 VanDerWaalsContact O-CB 3.29Å; L147-H151 WeakPolarHBondContact O-CB 3.32Å; L147-H151 PolarHBondContact O-N 2.9Å; L147-H151 PolarHBondContact O-ND1 2.98Å; L147-H151 VanDerWaalsContact O-ND1 3.15Å
148	Q	97.9	Very high	94.5	Very high	12 Å²	12	61.2 Å²	61.2	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-56	-45.7	175	-78.2	-176.9	78	0	0	111.3	V93 M94 A141 Y143 D144 R152	V93-Q148 HydrophobicContact CG1-CB 4.02Å; M94-Q148 PolarHBondContact O-NE2 2.94Å; A141-Q148 HydrophobicContact CB-CG 3.67Å; Y143-Q148 VanDerWaalsContact C-NE2 3.29Å; Y143-Q148 PolarHBondContact O-NE2 3.17Å; D144-Q148 WeakPolarHBondContact O-CB 3.33Å; D144-Q148 WeakPolarHBondContact O-CG 3.35Å; D144-Q148 PolarHBondContact O-N 3.44Å; D144-Q148 PolarHBondContact O-NE2 2.97Å; Q148-R152 VanDerWaalsContact O-CB 3.27Å; Q148-R152 WeakPolarHBondContact O-CB 3.29Å; Q148-R152 PolarHBondContact O-N 3.32Å
149	T	97	Very high	94	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-54.7	179.7	-61.7	0	0	0	0	111.4	P145 F146 L147 H151 R152 V153 F168 L190 A193 L194	P145-T149 WeakPolarHBondContact O-CB 3.44Å; P145-T149 PolarHBondContact O-N 2.84Å; P145-T149 VanDerWaalsContact O-N 3.15Å; P145-T149 PolarHBondContact O-OG1 3.24Å; F146-T149 PolarHBondContact O-N 3.14Å; L147-T149 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 2.83Å; T149-H151 PolarHBondContact O-N 2.9Å; T149-R152 PolarHBondContact O-N 2.93Å; T149-V153 HydrophobicContact CG2-CG2 4.27Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 3.41Å; T149-F168 HydrophobicContact CG2-CE1 3.6Å; T149-F168 HydrophobicContact CG2-CZ 3.65Å; T149-L190 VanDerWaalsContact OG1-CD2 3.31Å; T149-L190 WeakPolarHBondContact OG1-CD2 3.48Å; T149-A193 HydrophobicContact CG2-CB 3.47Å; T149-A193 VanDerWaalsContact CG2-CB 3.47Å; T149-L194 HydrophobicContact CG2-CD2 3.88Å; T149-L194 HydrophobicContact CG2-CG 4.47Å
150	R	95.3	Very high	93.2	Very high	113 Å²	113	61.1 Å²	61.1	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-57.3	-51.1	-178.1	-81	-159.9	60.5	175.7	-5.8	112.5	F146 L147 R152 V153 E154 A193	F146-R150 HydrophobicContact CD1-CG 4.25Å; F146-R150 HydrophobicContact CE1-CG 3.97Å; F146-R150 HydrophobicContact CZ-CG 4.27Å; F146-R150 WeakPolarHBondContact O-CB 3.47Å; F146-R150 PolarHBondContact O-N 2.94Å; L147-R150 PolarHBondContact O-N 2.86Å; R150-R152 VanDerWaalsContact C-N 3.25Å; R150-R152 PolarHBondContact O-N 3.31Å; R150-V153 PolarHBondContact O-N 2.98Å; R150-E154 IonicContact CZ-OE1 3.35Å; R150-E154 IonicContact NE-OE1 3.39Å; R150-E154 PolarHBondContact NE-OE1 2.9Å; R150-E154 IonicContact NH2-OE1 2.62Å; R150-E154 PolarHBondContact NH2-OE1 3.4Å; R150-E154 WeakPolarHBondContact O-CB 3.27Å; R150-E154 WeakPolarHBondContact O-CG 3.17Å; R150-E154 PolarHBondContact O-N 3.25Å; R150-A193 HydrophobicContact CG-CB 4.19Å
151	H	94.9	Very high	92.7	Very high	92 Å²	92	51 Å²	51	43%	0.426	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-39.3	179.5	-66.6	154.3	0	0	0	111.7	L147 T149 Q155	L147-H151 VanDerWaalsContact O-CB 3.29Å; L147-H151 WeakPolarHBondContact O-CB 3.32Å; L147-H151 PolarHBondContact O-N 2.9Å; L147-H151 PolarHBondContact O-ND1 2.98Å; L147-H151 VanDerWaalsContact O-ND1 3.15Å; T149-H151 PolarHBondContact O-N 2.9Å; H151-Q155 WeakPolarHBondContact O-CB 3.26Å; H151-Q155 PolarHBondContact O-N 3.3Å
152	R	94.8	Very high	92.1	Very high	28 Å²	28	52.8 Å²	52.8	11%	0.106	25%	0.245	C	C	.	.	H	α-helix	trans	-71.9	-41.8	-179.1	-177.3	55.1	179.3	167.7	4	112.3	V91 Q148 T149 R150 Q155 L156	V91-R152 HydrophobicContact CB-CG 4.37Å; V91-R152 HydrophobicContact CG1-CB 4.06Å; V91-R152 HydrophobicContact CG1-CG 3.88Å; V91-R152 HydrophobicContact CG2-CG 4.09Å; Q148-R152 VanDerWaalsContact O-CB 3.27Å; Q148-R152 WeakPolarHBondContact O-CB 3.29Å; Q148-R152 PolarHBondContact O-N 3.32Å; T149-R152 PolarHBondContact O-N 2.93Å; R150-R152 VanDerWaalsContact C-N 3.25Å; R150-R152 PolarHBondContact O-N 3.31Å; R152-Q155 PolarHBondContact O-N 3Å; R152-L156 HydrophobicContact CG-CD1 4.48Å; R152-L156 WeakPolarHBondContact O-CG 3.33Å; R152-L156 PolarHBondContact O-N 3.05Å
153	V	93.4	Very high	91.8	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-46.4	177.1	171.3	0	0	0	0	110.5	V91 T149 R150 Q155 L156 K157 V163 V166 L194	V91-V153 HydrophobicContact CG2-CG2 4.12Å; T149-V153 HydrophobicContact CG2-CG2 4.27Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 3.41Å; R150-V153 PolarHBondContact O-N 2.98Å; V153-Q155 PolarHBondContact O-N 3.26Å; V153-L156 PolarHBondContact O-N 2.94Å; V153-K157 WeakPolarHBondContact O-CG 3.44Å; V153-K157 PolarHBondContact O-N 3.03Å; V153-V163 HydrophobicContact CG1-CB 4.29Å; V153-V163 HydrophobicContact CG1-CG2 3.93Å; V153-V166 HydrophobicContact CG2-CG2 4.48Å; V153-L194 HydrophobicContact CG2-CD2 4.04Å
154	E	92.6	Very high	91.4	Very high	73 Å²	73	46.5 Å²	46.5	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-43.2	176.9	-72.2	171.1	-170.4	0	0	111.8	R150 L156 K157 Q158	R150-E154 IonicContact CZ-OE1 3.35Å; R150-E154 IonicContact NE-OE1 3.39Å; R150-E154 PolarHBondContact NE-OE1 2.9Å; R150-E154 IonicContact NH2-OE1 2.62Å; R150-E154 PolarHBondContact NH2-OE1 3.4Å; R150-E154 WeakPolarHBondContact O-CB 3.27Å; R150-E154 WeakPolarHBondContact O-CG 3.17Å; R150-E154 PolarHBondContact O-N 3.25Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.41Å; E154-K157 PolarHBondContact O-N 3Å; E154-Q158 WeakPolarHBondContact O-CG 3.49Å; E154-Q158 PolarHBondContact O-N 3.06Å
155	Q	90.8	Very high	91.1	Very high	73 Å²	73	49.2 Å²	49.2	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-42.4	175.3	-179.1	-178.4	54.6	0	0	112.2	H151 R152 V153 Q158 L159	H151-Q155 WeakPolarHBondContact O-CB 3.26Å; H151-Q155 PolarHBondContact O-N 3.3Å; R152-Q155 PolarHBondContact O-N 3Å; V153-Q155 PolarHBondContact O-N 3.26Å; Q155-Q158 PolarHBondContact O-N 3.21Å; Q155-L159 HydrophobicContact CG-CD1 4.25Å; Q155-L159 WeakPolarHBondContact O-CG 3.21Å; Q155-L159 PolarHBondContact O-N 3.04Å
156	L	89.1	Confident	91	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-40.6	177.9	-74.5	173	0	0	0	111.8	A89 V91 R152 V153 E154 L159 G160 H161 V163	A89-L156 HydrophobicContact CB-CD1 4.06Å; V91-L156 HydrophobicContact CG2-CD1 4.4Å; R152-L156 HydrophobicContact CG-CD1 4.48Å; R152-L156 WeakPolarHBondContact O-CG 3.33Å; R152-L156 PolarHBondContact O-N 3.05Å; V153-L156 PolarHBondContact O-N 2.94Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.41Å; L156-L159 PolarHBondContact O-N 3.3Å; L156-G160 PolarHBondContact O-N 3.17Å; L156-H161 HydrophobicContact CB-CB 4.31Å; L156-H161 WeakPolarHBondContact O-CB 3.33Å; L156-H161 PolarHBondContact O-CD2 3.01Å; L156-H161 PolarHBondContact O-N 2.84Å; L156-V163 HydrophobicContact CB-CG1 3.67Å; L156-V163 HydrophobicContact CD1-CG1 4.42Å
157	K	87.8	Confident	90.9	Very high	113 Å²	113	47.8 Å²	47.8	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-46.5	173.7	-71.4	-178.7	-178.3	-177.6	0	111.6	V153 E154 L159 G160 V163	V153-K157 WeakPolarHBondContact O-CG 3.44Å; V153-K157 PolarHBondContact O-N 3.03Å; E154-K157 PolarHBondContact O-N 3Å; K157-L159 PolarHBondContact O-N 2.61Å; K157-G160 PolarHBondContact O-N 3.14Å; K157-V163 HydrophobicContact CD-CG2 3.86Å; K157-V163 HydrophobicContact CG-CB 4.48Å; K157-V163 HydrophobicContact CG-CG1 4.16Å; K157-V163 HydrophobicContact CG-CG2 3.43Å; K157-V163 VanDerWaalsContact CG-CG2 3.43Å
158	Q	85.6	Confident	90.9	Very high	111 Å²	111	44.5 Å²	44.5	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-62.8	-27.4	178.8	-71.8	174	-2.1	0	0	113.1	V59 E154 Q155 G160	V59-Q158 HydrophobicContact CB-CB 4.4Å; V59-Q158 HydrophobicContact CG1-CB 3.94Å; E154-Q158 WeakPolarHBondContact O-CG 3.49Å; E154-Q158 PolarHBondContact O-N 3.06Å; Q155-Q158 PolarHBondContact O-N 3.21Å; Q158-G160 VanDerWaalsContact C-N 3.28Å
159	L	85.3	Confident	90.9	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.147	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.7	175.5	-70.6	172	0	0	0	113.5	L58 V59 A79 Q155 L156 K157	L58-L159 HydrophobicContact CD2-CD2 4.42Å; V59-L159 HydrophobicContact CG1-CD2 3.74Å; V59-L159 HydrophobicContact CG1-CG 4.21Å; A79-L159 HydrophobicContact CB-CD2 4.26Å; Q155-L159 HydrophobicContact CG-CD1 4.25Å; Q155-L159 WeakPolarHBondContact O-CG 3.21Å; Q155-L159 PolarHBondContact O-N 3.04Å; L156-L159 PolarHBondContact O-N 3.3Å; K157-L159 PolarHBondContact O-N 2.61Å
160	G	79.2	Confident	91	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	16.4	177.1	0	0	0	0	0	114.7	L156 K157 Q158	L156-G160 PolarHBondContact O-N 3.17Å; K157-G160 PolarHBondContact O-N 3.14Å; Q158-G160 VanDerWaalsContact C-N 3.28Å
161	H	84.5	Confident	90.8	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.037	20%	0.2	C	C	.	.			trans	-84.7	137.5	173.3	-60.2	-96.4	0	0	0	110.5	K78 A79 T84 L156	K78-H161 VanDerWaalsContact CE-CE1 3.46Å; K78-H161 WeakPolarHBondContact CE-CE1 3.08Å; K78-H161 WeakPolarHBondContact CE-ND1 3.49Å; A79-H161 PolarHBondContact O-CE1 3.02Å; A79-H161 PolarHBondContact O-NE2 3.34Å; A79-H161 VanDerWaalsContact O-NE2 3.16Å; T84-H161 HydrophobicContact CG2-CB 4.12Å; T84-H161 WeakPolarHBondContact CG2-ND1 3.29Å; T84-H161 PolarHBondContact OG1-ND1 2.91Å; L156-H161 HydrophobicContact CB-CB 4.31Å; L156-H161 WeakPolarHBondContact O-CB 3.33Å; L156-H161 PolarHBondContact O-CD2 3.01Å; L156-H161 PolarHBondContact O-N 2.84Å
162	S	83.4	Confident	90.1	Very high	42 Å²	42	36.1 Å²	36.1	29%	0.294	18%	0.18	S	C	.	.			trans	-64.6	138.6	161.4	166.6	0	0	0	0	108.9	D164	S162-D164 PolarHBondContact OG-N 2.8Å; S162-D164 PolarHBondContact OG-OD2 2.78Å
163	V	88.9	Confident	89.2	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.024	19%	0.185	C	C	.	.			trans	-127.7	22.7	176.8	-59.1	0	0	0	0	110.8	A89 V153 L156 K157 K165 T214	A89-V163 HydrophobicContact CB-CB 4.2Å; A89-V163 HydrophobicContact CB-CG1 3.97Å; V153-V163 HydrophobicContact CG1-CB 4.29Å; V153-V163 HydrophobicContact CG1-CG2 3.93Å; L156-V163 HydrophobicContact CB-CG1 3.67Å; L156-V163 HydrophobicContact CD1-CG1 4.42Å; K157-V163 HydrophobicContact CD-CG2 3.86Å; K157-V163 HydrophobicContact CG-CB 4.48Å; K157-V163 HydrophobicContact CG-CG1 4.16Å; K157-V163 HydrophobicContact CG-CG2 3.43Å; K157-V163 VanDerWaalsContact CG-CG2 3.43Å; V163-K165 PolarHBondContact O-N 3.16Å; V163-T214 WeakPolarHBondContact O-CG2 3.21Å
164	D	88.4	Confident	89.1	Confident	72 Å²	72	35.3 Å²	35.3	39%	0.385	18%	0.183	S	C	.	.	S	Bend	trans	-63.7	-27.1	179.7	-54.2	-41.9	0	0	0	111.4	S162 K215	S162-D164 PolarHBondContact OG-N 2.8Å; S162-D164 PolarHBondContact OG-OD2 2.78Å; D164-K215 PolarHBondContact O-N 3.49Å
165	K	91.3	Very high	89.3	Confident	101 Å²	101	31.9 Å²	31.9	44%	0.439	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.2	174.7	-63.4	178.5	-174.6	178.1	0	109	A89 V163 K215 V217	A89-K165 WeakPolarHBondContact CB-O 3.26Å; A89-K165 PolarHBondContact N-O 3.44Å; V163-K165 PolarHBondContact O-N 3.16Å; K165-K215 WeakPolarHBondContact CA-O 3.35Å; K165-V217 HydrophobicContact CB-CG1 3.68Å; K165-V217 HydrophobicContact CB-CG2 4.27Å; K165-V217 HydrophobicContact CD-CG1 4.17Å; K165-V217 HydrophobicContact CG-CG1 3.78Å
166	V	95.1	Very high	89.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.4	179.4	173.8	0	0	0	0	109.6	A89 V91 V153 F168 L194 T214 K215 C216 V217	A89-V166 HydrophobicContact CB-CG2 4.3Å; A89-V166 WeakPolarHBondContact O-CA 3.44Å; V91-V166 HydrophobicContact CB-CG1 3.98Å; V91-V166 HydrophobicContact CG2-CG1 3.64Å; V153-V166 HydrophobicContact CG2-CG2 4.48Å; V166-F168 HydrophobicContact CG1-CD1 4.42Å; V166-F168 HydrophobicContact CG1-CD2 4.4Å; V166-F168 HydrophobicContact CG1-CE1 4.19Å; V166-F168 HydrophobicContact CG1-CE2 4.17Å; V166-F168 HydrophobicContact CG1-CZ 4.06Å; V166-L194 HydrophobicContact CB-CD1 3.98Å; V166-L194 HydrophobicContact CG1-CD1 4.15Å; V166-L194 HydrophobicContact CG2-CD1 4.47Å; V166-L194 HydrophobicContact CG2-CD2 4.26Å; V166-T214 HydrophobicContact CG2-CG2 3.66Å; V166-K215 PolarHBondContact N-O 3.23Å; V166-C216 CarbonylContact O-C 3.57Å; V166-C216 WeakPolarHBondContact O-CA 3.43Å; V166-V217 WeakPolarHBondContact O-CG2 3.45Å; V166-V217 PolarHBondContact O-N 3.33Å
167	E	96.4	Very high	89.9	Confident	28 Å²	28	30 Å²	30	13%	0.131	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.9	168.3	-179.1	-175.9	-173.6	0	0	108.7	I88 A89 V90 V91 V217 G218 R243	I88-E167 HydrophobicContact CG2-CB 3.52Å; A89-E167 PolarHBondContact O-N 3.48Å; V90-E167 WeakPolarHBondContact CA-O 3.37Å; V91-E167 PolarHBondContact N-O 3.4Å; E167-V217 HydrophobicContact CB-CG2 4.32Å; E167-G218 CarbonylContact C-O 3.56Å; E167-G218 VanDerWaalsContact CA-O 3.31Å; E167-G218 WeakPolarHBondContact CA-O 3.48Å; E167-R243 IonicContact OE1-CZ 3.09Å; E167-R243 IonicContact OE1-NE 2.79Å; E167-R243 IonicContact OE1-NH1 3.36Å; E167-R243 PolarHBondContact OE1-NH1 3.09Å; E167-R243 IonicContact OE1-NH2 3.83Å; E167-R243 PolarHBondContact OE1-NH2 2.84Å
168	F	98.3	Very high	90.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	147.4	177.7	-71.2	-72.3	0	0	0	111.8	V91 T149 V166 L190 L194 G218 I219 T220	V91-F168 HydrophobicContact CB-CD1 3.92Å; V91-F168 HydrophobicContact CB-CE1 4.06Å; V91-F168 HydrophobicContact CG1-CD1 3.86Å; V91-F168 HydrophobicContact CG1-CE1 3.75Å; V91-F168 VanDerWaalsContact O-CA 3.32Å; V91-F168 WeakPolarHBondContact O-CA 3.08Å; T149-F168 HydrophobicContact CG2-CE1 3.6Å; T149-F168 HydrophobicContact CG2-CZ 3.65Å; V166-F168 HydrophobicContact CG1-CD1 4.42Å; V166-F168 HydrophobicContact CG1-CD2 4.4Å; V166-F168 HydrophobicContact CG1-CE1 4.19Å; V166-F168 HydrophobicContact CG1-CE2 4.17Å; V166-F168 HydrophobicContact CG1-CZ 4.06Å; F168-L190 HydrophobicContact CD1-CD1 4.44Å; F168-L190 HydrophobicContact CE1-CB 4.35Å; F168-L190 HydrophobicContact CE1-CD2 4.37Å; F168-L190 HydrophobicContact CE2-CB 4.12Å; F168-L190 HydrophobicContact CG-CD1 4.38Å; F168-L190 HydrophobicContact CZ-CB 4.04Å; F168-L194 HydrophobicContact CE2-CD1 3.44Å; F168-L194 VanDerWaalsContact CE2-CD1 3.44Å; F168-L194 HydrophobicContact CE2-CG 4.05Å; F168-L194 HydrophobicContact CZ-CD1 3.62Å; F168-L194 HydrophobicContact CZ-CD2 4.07Å; F168-L194 HydrophobicContact CZ-CG 3.77Å; F168-G218 PolarHBondContact N-O 3.28Å; F168-I219 HydrophobicContact CB-CB 4.46Å; F168-I219 HydrophobicContact CB-CG1 4.04Å; F168-I219 HydrophobicContact CB-CG2 4.36Å; F168-I219 HydrophobicContact CD2-CG1 4Å; F168-I219 HydrophobicContact CG-CG1 4.49Å; F168-T220 WeakPolarHBondContact O-CB 3.38Å; F168-T220 PolarHBondContact O-N 3.27Å
169	I	97.7	Very high	90.8	Very high	20 Å²	20	23.8 Å²	23.8	10%	0.103	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.3	165.4	-53.6	179.1	0	0	0	107.7	V90 V91 A92 V93 M171 T220	V90-I169 HydrophobicContact CG1-CD1 3.45Å; V90-I169 VanDerWaalsContact CG1-CD1 3.45Å; V90-I169 HydrophobicContact CG1-CG1 3.94Å; V91-I169 PolarHBondContact O-N 3.15Å; A92-I169 WeakPolarHBondContact CA-O 3.43Å; A92-I169 HydrophobicContact CB-CB 4.25Å; V93-I169 PolarHBondContact N-O 3.42Å; I169-M171 HydrophobicContact CG2-CG 3.83Å; I169-T220 HydrophobicContact CG2-CG2 4.42Å
170	V	97.5	Very high	91.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109	173.8	-176	0	0	0	0	108.1	V93 F175 F186 I187 L190 I219 T220 I221 E222	V93-V170 HydrophobicContact CG2-CG2 4.23Å; V170-F175 HydrophobicContact CG1-CB 4.18Å; V170-F175 HydrophobicContact CG1-CD1 4.22Å; V170-F175 HydrophobicContact CG1-CD2 4.02Å; V170-F175 HydrophobicContact CG1-CE2 4.5Å; V170-F175 HydrophobicContact CG1-CG 3.87Å; V170-F186 HydrophobicContact CG1-CE1 3.92Å; V170-F186 HydrophobicContact CG2-CE1 4.22Å; V170-I187 HydrophobicContact CG2-CD1 4.4Å; V170-L190 HydrophobicContact CG2-CD1 4.1Å; V170-I219 HydrophobicContact CG2-CG2 4.14Å; V170-T220 PolarHBondContact N-O 3.16Å; V170-I221 HydrophobicContact CB-CG1 4.34Å; V170-I221 HydrophobicContact CG2-CG1 4.36Å; V170-E222 PolarHBondContact O-N 3.41Å
171	M	92.3	Very high	92.3	Very high	18 Å²	18	33.3 Å²	33.3	9%	0.089	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	156	-175	-64.8	-173	-55	0	0	112.5	A92 V93 M94 T134 I169 E222	A92-M171 HydrophobicContact CB-CE 3.7Å; A92-M171 HydrophobicContact CB-SD 3.96Å; V93-M171 PolarHBondContact O-N 2.77Å; M94-M171 HydrophobicContact CE-CE 3.59Å; M94-M171 HydrophobicContact CG-CB 4.13Å; M94-M171 HydrophobicContact CG-CE 3.75Å; M94-M171 HydrophobicContact SD-CE 4.44Å; T134-M171 HydrophobicContact CG2-CE 3.19Å; I169-M171 HydrophobicContact CG2-CG 3.83Å; M171-E222 WeakPolarHBondContact CA-OE2 3.4Å
172	G	79.4	Confident	92.9	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	129.5	-11	178	0	0	0	0	0	114	T174 E222	G172-T174 PolarHBondContact O-N 2.89Å; G172-E222 PolarHBondContact N-OE2 3.45Å
173	G	76.5	Confident	93.6	Very high	20 Å²	20	33 Å²	33	21%	0.206	17%	0.173	C	C	.	.	S	Bend	trans	70.6	-13.9	172.4	0	0	0	0	0	116.8	T223 R224	G173-T223 CarbonylContact O-C 3.5Å; G173-T223 WeakPolarHBondContact O-CA 3.31Å; G173-R224 PolarHBondContact O-N 3.47Å
174	T	91.5	Very high	94	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	18%	0.18	C	C	.	.			trans	-131.3	19.4	-178.7	51.7	0	0	0	0	113.9	H98 G172 M176 A177 R224	H98-T174 PolarHBondContact CE1-OG1 3.47Å; H98-T174 WeakPolarHBondContact NE2-CB 3.35Å; H98-T174 PolarHBondContact NE2-O 3.31Å; H98-T174 PolarHBondContact NE2-OG1 3.38Å; G172-T174 PolarHBondContact O-N 2.89Å; T174-M176 PolarHBondContact O-N 3.14Å; T174-M176 VanDerWaalsContact O-N 3.08Å; T174-A177 VanDerWaalsContact O-CB 3.31Å; T174-A177 WeakPolarHBondContact O-CB 3.49Å; T174-A177 PolarHBondContact O-N 3.07Å; T174-R224 HydrophobicContact CG2-CG 4.25Å
175	F	96.3	Very high	94.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-50.1	-38.9	179.4	173.6	-108	0	0	0	113.2	C95 V170 A177 L178 Y182 R183 F186 I187 I221 Y239	C95-F175 HydrophobicContact CB-CD2 3.83Å; C95-F175 HydrophobicContact CB-CE2 4.48Å; V170-F175 HydrophobicContact CG1-CB 4.18Å; V170-F175 HydrophobicContact CG1-CD1 4.22Å; V170-F175 HydrophobicContact CG1-CD2 4.02Å; V170-F175 HydrophobicContact CG1-CE2 4.5Å; V170-F175 HydrophobicContact CG1-CG 3.87Å; F175-A177 PolarHBondContact O-N 2.98Å; F175-L178 HydrophobicContact CD2-CD1 4.13Å; F175-L178 WeakPolarHBondContact O-CB 3.06Å; F175-L178 PolarHBondContact O-N 3.16Å; F175-L178 VanDerWaalsContact O-N 3.13Å; F175-Y182 HydrophobicContact CE2-CE1 4.41Å; F175-R183 HydrophobicContact CE1-CB 4.27Å; F175-R183 HydrophobicContact CE1-CG 4.11Å; F175-R183 HydrophobicContact CE2-CB 4.48Å; F175-R183 HydrophobicContact CE2-CG 4.17Å; F175-R183 HydrophobicContact CZ-CB 3.84Å; F175-R183 HydrophobicContact CZ-CG 3.83Å; F175-F186 HydrophobicContact CE2-CB 3.86Å; F175-F186 AromaticContact CE2-CD1 3.82Å; F175-F186 HydrophobicContact CE2-CD1 3.82Å; F175-F186 AromaticContact CE2-CG 3.88Å; F175-F186 HydrophobicContact CE2-CG 3.88Å; F175-F186 HydrophobicContact CZ-CB 4.17Å; F175-F186 HydrophobicContact CZ-CD1 4.15Å; F175-F186 HydrophobicContact CZ-CG 4.43Å; F175-I187 HydrophobicContact CE1-CD1 4.13Å; F175-I187 HydrophobicContact CE1-CG1 4.28Å; F175-I187 HydrophobicContact CZ-CD1 4.03Å; F175-I187 HydrophobicContact CZ-CG1 3.97Å; F175-I221 HydrophobicContact CD1-CG2 4.11Å; F175-I221 HydrophobicContact CE1-CD1 4.48Å; F175-Y239 HydrophobicContact CE1-CE2 4.26Å
176	M	96.5	Very high	94.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.3	-12.6	-179.4	-63.1	-57.5	-63.2	0	0	114.7	T174 L178 I221 Y227 H232 D235 M236 Y239	T174-M176 PolarHBondContact O-N 3.14Å; T174-M176 VanDerWaalsContact O-N 3.08Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-I221 HydrophobicContact CG-CG2 4.25Å; M176-I221 HydrophobicContact SD-CG2 4.36Å; M176-Y227 HydrophobicContact CB-CD1 4.14Å; M176-Y227 HydrophobicContact CB-CG 4.44Å; M176-H232 HydrophobicContact CE-CB 3.94Å; M176-D235 HydrophobicContact CE-CB 4.17Å; M176-M236 HydrophobicContact CB-CE 4.49Å; M176-M236 HydrophobicContact CE-CE 3.86Å; M176-M236 HydrophobicContact CE-CG 3.86Å; M176-M236 HydrophobicContact CG-CE 3.3Å; M176-M236 HydrophobicContact SD-CE 3.67Å; M176-M236 HydrophobicContact SD-CG 3.97Å; M176-Y239 HydrophobicContact CE-CE2 4.48Å; M176-Y239 HydrophobicContact SD-CE2 4.36Å
177	A	95.6	Very high	95	Very high	33 Å²	33	29.8 Å²	29.8	27%	0.273	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-82.4	-10.1	173	0	0	0	0	0	112.8	P101 T174 F175 Y227	P101-A177 HydrophobicContact CB-CB 4.18Å; P101-A177 HydrophobicContact CG-CB 3.82Å; T174-A177 VanDerWaalsContact O-CB 3.31Å; T174-A177 WeakPolarHBondContact O-CB 3.49Å; T174-A177 PolarHBondContact O-N 3.07Å; F175-A177 PolarHBondContact O-N 2.98Å; A177-Y227 HydrophobicContact CB-CD1 4.27Å; A177-Y227 HydrophobicContact CB-CE1 3.67Å; A177-Y227 HydrophobicContact CB-CE2 4.25Å
178	L	96.3	Very high	95.1	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.063	16%	0.159	C	C	.	.	S	Bend	trans	-75.5	154.1	177.9	-67.4	170.6	0	0	0	111.7	C95 K96 H98 F175 M176 Y182 R183	C95-L178 HydrophobicContact CB-CD1 4.21Å; K96-L178 HydrophobicContact CG-CD1 4.46Å; H98-L178 HydrophobicContact CB-CD2 3.95Å; F175-L178 HydrophobicContact CD2-CD1 4.13Å; F175-L178 WeakPolarHBondContact O-CB 3.06Å; F175-L178 PolarHBondContact O-N 3.16Å; F175-L178 VanDerWaalsContact O-N 3.13Å; M176-L178 VanDerWaalsContact C-N 3.3Å; L178-Y182 HydrophobicContact CB-CD1 3.99Å; L178-Y182 HydrophobicContact CD1-CD1 3.47Å; L178-Y182 VanDerWaalsContact CD1-CD1 3.47Å; L178-Y182 HydrophobicContact CD1-CE1 3.42Å; L178-Y182 VanDerWaalsContact CD1-CE1 3.42Å; L178-Y182 HydrophobicContact CG-CD1 4.25Å; L178-R183 HydrophobicContact CB-CG 4.21Å; L178-R183 WeakPolarHBondContact O-CD 3.5Å; L178-R183 PolarHBondContact O-NE 2.88Å
179	P	97.1	Very high	95.1	Very high	82 Å²	82	32.4 Å²	32.4	53%	0.532	17%	0.166	S	C	.	.			trans	-53.8	145.6	176.3	-26.3	34.9	0	0	0	112.6	E181 Y182 R183	P179-E181 VanDerWaalsContact C-N 3.28Å; P179-E181 PolarHBondContact O-N 3.26Å; P179-Y182 PolarHBondContact O-N 3.04Å; P179-R183 PolarHBondContact O-N 3.22Å
180	E	96.7	Very high	95.1	Very high	89 Å²	89	31.4 Å²	31.4	42%	0.416	16%	0.161	S	C	.	.	H	α-helix	trans	-54.4	-42.2	-178.5	-80.2	178.3	179.1	0	0	113.1	Y182 R183 D184 R231	E180-Y182 VanDerWaalsContact C-N 3.29Å; E180-Y182 PolarHBondContact O-N 3.36Å; E180-R183 PolarHBondContact O-N 2.76Å; E180-R183 VanDerWaalsContact O-N 3.12Å; E180-R183 IonicContact OE1-NH2 3.01Å; E180-R183 PolarHBondContact OE1-NH2 3.47Å; E180-D184 WeakPolarHBondContact O-CB 3.13Å; E180-D184 PolarHBondContact O-N 3.48Å; E180-R231 IonicContact OE1-CZ 3.05Å; E180-R231 IonicContact OE1-NE 2.76Å; E180-R231 PolarHBondContact OE1-NE 3.47Å; E180-R231 IonicContact OE1-NH2 3.96Å; E180-R231 PolarHBondContact OE1-NH2 3.14Å; E180-R231 IonicContact OE2-NH2 3.99Å
181	E	97.7	Very high	95.1	Very high	163 Å²	163	31.4 Å²	31.4	76%	0.762	16%	0.161	S	C	*	.	H	α-helix	trans	-58.9	-40	177.5	-63	177.4	178.9	0	0	112.4	P179 Y185	P179-E181 VanDerWaalsContact C-N 3.28Å; P179-E181 PolarHBondContact O-N 3.26Å; E181-Y185 VanDerWaalsContact O-CB 3.3Å; E181-Y185 WeakPolarHBondContact O-CB 3.48Å; E181-Y185 PolarHBondContact O-N 3.44Å
182	Y	97.9	Very high	95.4	Very high	32 Å²	32	30.7 Å²	30.7	13%	0.125	16%	0.158	C	C	.	.	H	α-helix	trans	-71.7	-39.5	176.7	-178.4	-92.2	0	0	0	111.3	C95 K96 F175 L178 P179 E180 Y185 F186	C95-Y182 HydrophobicContact CB-CE1 4.23Å; K96-Y182 HydrophobicContact CB-CE2 4.44Å; K96-Y182 WeakPolarHBondContact CB-OH 3.49Å; K96-Y182 HydrophobicContact CD-CD2 4.06Å; K96-Y182 HydrophobicContact CD-CE1 4.35Å; K96-Y182 HydrophobicContact CD-CE2 3.63Å; K96-Y182 HydrophobicContact CG-CE1 4.06Å; K96-Y182 HydrophobicContact CG-CE2 4.01Å; K96-Y182 PolarHBondContact N-OH 2.53Å; F175-Y182 HydrophobicContact CE2-CE1 4.41Å; L178-Y182 HydrophobicContact CB-CD1 3.99Å; L178-Y182 HydrophobicContact CD1-CD1 3.47Å; L178-Y182 VanDerWaalsContact CD1-CD1 3.47Å; L178-Y182 HydrophobicContact CD1-CE1 3.42Å; L178-Y182 VanDerWaalsContact CD1-CE1 3.42Å; L178-Y182 HydrophobicContact CG-CD1 4.25Å; P179-Y182 PolarHBondContact O-N 3.04Å; E180-Y182 VanDerWaalsContact C-N 3.29Å; E180-Y182 PolarHBondContact O-N 3.36Å; Y182-Y185 HydrophobicContact CD2-CD1 4.38Å; Y182-Y185 HydrophobicContact CE2-CD1 4.32Å; Y182-Y185 PolarHBondContact O-N 3.29Å; Y182-F186 HydrophobicContact CE1-CB 4.29Å; Y182-F186 HydrophobicContact CE1-CD2 4.15Å; Y182-F186 HydrophobicContact CE1-CG 4.49Å; Y182-F186 VanDerWaalsContact O-CB 3.3Å; Y182-F186 WeakPolarHBondContact O-CB 3.24Å; Y182-F186 PolarHBondContact O-N 3.48Å
183	R	98	Very high	96.2	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.038	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-45	177.4	-65.7	-172.4	-77.1	140.5	-11.7	110.9	F175 L178 P179 E180 F186 I187 D235 Y239	F175-R183 HydrophobicContact CE1-CB 4.27Å; F175-R183 HydrophobicContact CE1-CG 4.11Å; F175-R183 HydrophobicContact CE2-CB 4.48Å; F175-R183 HydrophobicContact CE2-CG 4.17Å; F175-R183 HydrophobicContact CZ-CB 3.84Å; F175-R183 HydrophobicContact CZ-CG 3.83Å; L178-R183 HydrophobicContact CB-CG 4.21Å; L178-R183 WeakPolarHBondContact O-CD 3.5Å; L178-R183 PolarHBondContact O-NE 2.88Å; P179-R183 PolarHBondContact O-N 3.22Å; E180-R183 PolarHBondContact O-N 2.76Å; E180-R183 VanDerWaalsContact O-N 3.12Å; E180-R183 IonicContact OE1-NH2 3.01Å; E180-R183 PolarHBondContact OE1-NH2 3.47Å; R183-F186 PolarHBondContact O-N 2.87Å; R183-I187 WeakPolarHBondContact O-CG1 3.14Å; R183-I187 PolarHBondContact O-N 3.43Å; R183-D235 IonicContact CZ-OD2 2.9Å; R183-D235 IonicContact NH1-OD2 3.77Å; R183-D235 PolarHBondContact NH1-OD2 2.82Å; R183-D235 IonicContact NH2-OD2 3.33Å; R183-D235 PolarHBondContact NH2-OD2 3.19Å; R183-Y239 HydrophobicContact CB-CE2 4.33Å; R183-Y239 WeakPolarHBondContact CB-OH 3.39Å; R183-Y239 PolarHBondContact NH1-OH 3.23Å; R183-Y239 VanDerWaalsContact NH1-OH 3.14Å
184	D	98.3	Very high	97.1	Very high	30 Å²	30	31.2 Å²	31.2	16%	0.16	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-52.2	172.2	176.4	92.1	0	0	0	111.2	E180 F186 I187 R188 N201 V202	E180-D184 WeakPolarHBondContact O-CB 3.13Å; E180-D184 PolarHBondContact O-N 3.48Å; D184-F186 VanDerWaalsContact C-N 3.27Å; D184-F186 PolarHBondContact O-N 3.4Å; D184-I187 PolarHBondContact O-N 2.9Å; D184-R188 WeakPolarHBondContact O-CB 3.49Å; D184-R188 WeakPolarHBondContact O-CG 3.29Å; D184-R188 PolarHBondContact O-N 3.46Å; D184-R188 IonicContact OD2-CZ 3.74Å; D184-R188 VanDerWaalsContact OD2-CZ 3.26Å; D184-R188 IonicContact OD2-NE 2.94Å; D184-R188 PolarHBondContact OD2-NE 3.08Å; D184-R188 IonicContact OD2-NH1 2.86Å; D184-R188 IonicContact OD2-NH2 3.39Å; D184-R188 PolarHBondContact OD2-NH2 2.99Å; D184-R188 VanDerWaalsContact OD2-NH2 3.07Å; D184-N201 WeakPolarHBondContact OD1-CA 3.49Å; D184-V202 WeakPolarHBondContact OD1-CB 3.24Å; D184-V202 WeakPolarHBondContact OD1-CG1 3.41Å; D184-V202 PolarHBondContact OD1-N 2.79Å
185	Y	98.3	Very high	97.3	Very high	81 Å²	81	32.5 Å²	32.5	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-52.5	-46.3	176.1	167.8	-96.4	0	0	0	112.5	P145 E181 Y182 R188 N189	P145-Y185 HydrophobicContact CG-CE1 3.86Å; E181-Y185 VanDerWaalsContact O-CB 3.3Å; E181-Y185 WeakPolarHBondContact O-CB 3.48Å; E181-Y185 PolarHBondContact O-N 3.44Å; Y182-Y185 HydrophobicContact CD2-CD1 4.38Å; Y182-Y185 HydrophobicContact CE2-CD1 4.32Å; Y182-Y185 PolarHBondContact O-N 3.29Å; Y185-R188 WeakPolarHBondContact O-CG 3.47Å; Y185-N189 VanDerWaalsContact CD2-ND2 3.33Å; Y185-N189 WeakPolarHBondContact CD2-ND2 3.14Å; Y185-N189 WeakPolarHBondContact CE2-ND2 3.36Å; Y185-N189 WeakPolarHBondContact O-CB 3.18Å; Y185-N189 PolarHBondContact O-N 3.24Å; Y185-N189 PolarHBondContact O-ND2 3.37Å
186	F	98.4	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-53.1	-177.4	-164.6	-90.8	0	0	0	111.2	V93 M94 C95 P145 V170 F175 Y182 R183 D184 N189 L190	V93-F186 HydrophobicContact CB-CZ 4.29Å; V93-F186 HydrophobicContact CG2-CE1 3.87Å; V93-F186 HydrophobicContact CG2-CZ 3.91Å; M94-F186 WeakPolarHBondContact O-CE2 3.43Å; C95-F186 HydrophobicContact CB-CD2 4.49Å; C95-F186 HydrophobicContact CB-CE2 4.14Å; C95-F186 HydrophobicContact CB-CZ 4.33Å; P145-F186 HydrophobicContact CB-CD2 3.78Å; P145-F186 HydrophobicContact CB-CE2 3.8Å; P145-F186 HydrophobicContact CB-CG 4.16Å; P145-F186 HydrophobicContact CB-CZ 4.19Å; P145-F186 HydrophobicContact CG-CD2 4.02Å; P145-F186 HydrophobicContact CG-CE2 4.4Å; P145-F186 HydrophobicContact CG-CG 4.5Å; V170-F186 HydrophobicContact CG1-CE1 3.92Å; V170-F186 HydrophobicContact CG2-CE1 4.22Å; F175-F186 HydrophobicContact CE2-CB 3.86Å; F175-F186 AromaticContact CE2-CD1 3.82Å; F175-F186 HydrophobicContact CE2-CD1 3.82Å; F175-F186 AromaticContact CE2-CG 3.88Å; F175-F186 HydrophobicContact CE2-CG 3.88Å; F175-F186 HydrophobicContact CZ-CB 4.17Å; F175-F186 HydrophobicContact CZ-CD1 4.15Å; F175-F186 HydrophobicContact CZ-CG 4.43Å; Y182-F186 HydrophobicContact CE1-CB 4.29Å; Y182-F186 HydrophobicContact CE1-CD2 4.15Å; Y182-F186 HydrophobicContact CE1-CG 4.49Å; Y182-F186 VanDerWaalsContact O-CB 3.3Å; Y182-F186 WeakPolarHBondContact O-CB 3.24Å; Y182-F186 PolarHBondContact O-N 3.48Å; R183-F186 PolarHBondContact O-N 2.87Å; D184-F186 VanDerWaalsContact C-N 3.27Å; D184-F186 PolarHBondContact O-N 3.4Å; F186-N189 PolarHBondContact O-N 3.1Å; F186-L190 HydrophobicContact CD1-CD1 4.19Å; F186-L190 HydrophobicContact CD1-CG 4.41Å; F186-L190 HydrophobicContact CE1-CD1 3.98Å; F186-L190 HydrophobicContact CE1-CD2 4.26Å; F186-L190 HydrophobicContact CE1-CG 4.35Å; F186-L190 WeakPolarHBondContact O-CG 3.25Å; F186-L190 PolarHBondContact O-N 3.39Å
187	I	98.4	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-42.2	-175.1	-61	-63.9	0	0	0	112	V170 F175 R183 D184 N189 L190 H191 V202 Y239	V170-I187 HydrophobicContact CG2-CD1 4.4Å; F175-I187 HydrophobicContact CE1-CD1 4.13Å; F175-I187 HydrophobicContact CE1-CG1 4.28Å; F175-I187 HydrophobicContact CZ-CD1 4.03Å; F175-I187 HydrophobicContact CZ-CG1 3.97Å; R183-I187 WeakPolarHBondContact O-CG1 3.14Å; R183-I187 PolarHBondContact O-N 3.43Å; D184-I187 PolarHBondContact O-N 2.9Å; I187-N189 PolarHBondContact O-N 3.34Å; I187-L190 HydrophobicContact CD1-CD1 4.22Å; I187-L190 WeakPolarHBondContact O-CB 3.43Å; I187-L190 PolarHBondContact O-N 2.97Å; I187-L190 VanDerWaalsContact O-N 3.1Å; I187-H191 PolarHBondContact O-N 3.21Å; I187-V202 HydrophobicContact CB-CG2 4.06Å; I187-V202 HydrophobicContact CG2-CG2 3.48Å; I187-V202 VanDerWaalsContact CG2-CG2 3.48Å; I187-Y239 HydrophobicContact CB-CD1 4.5Å; I187-Y239 HydrophobicContact CB-CG 4.38Å; I187-Y239 HydrophobicContact CD1-CD2 4.36Å; I187-Y239 HydrophobicContact CG1-CD1 4.32Å; I187-Y239 HydrophobicContact CG1-CD2 3.87Å; I187-Y239 HydrophobicContact CG1-CE2 4.34Å; I187-Y239 HydrophobicContact CG1-CG 3.87Å; I187-Y239 HydrophobicContact CG2-CD1 4.37Å; I187-Y239 HydrophobicContact CG2-CG 4.14Å
188	R	97.9	Very high	97.1	Very high	55 Å²	55	42.5 Å²	42.5	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-40.9	178.7	79.2	176.1	137.2	-167.8	-29.9	111.2	D184 Y185 L190 H191 D192 S199 N200 A205	D184-R188 WeakPolarHBondContact O-CB 3.49Å; D184-R188 WeakPolarHBondContact O-CG 3.29Å; D184-R188 PolarHBondContact O-N 3.46Å; D184-R188 IonicContact OD2-CZ 3.74Å; D184-R188 VanDerWaalsContact OD2-CZ 3.26Å; D184-R188 IonicContact OD2-NE 2.94Å; D184-R188 PolarHBondContact OD2-NE 3.08Å; D184-R188 IonicContact OD2-NH1 2.86Å; D184-R188 IonicContact OD2-NH2 3.39Å; D184-R188 PolarHBondContact OD2-NH2 2.99Å; D184-R188 VanDerWaalsContact OD2-NH2 3.07Å; Y185-R188 WeakPolarHBondContact O-CG 3.47Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.77Å; R188-H191 PolarHBondContact O-N 3.49Å; R188-H191 VanDerWaalsContact O-N 3.16Å; R188-D192 WeakPolarHBondContact O-CB 3.19Å; R188-D192 PolarHBondContact O-N 2.9Å; R188-S199 WeakPolarHBondContact CD-O 3.47Å; R188-N200 VanDerWaalsContact NH1-C 3.3Å; R188-N200 PolarHBondContact NH1-O 3.3Å; R188-A205 HydrophobicContact CB-CB 3.83Å
189	N	98.4	Very high	97.1	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-70.6	-25.8	-179.1	-83.5	-77.5	0	0	0	113.1	P145 F146 Y185 F186 I187 A193	P145-N189 HydrophobicContact CB-CB 3.96Å; P145-N189 HydrophobicContact CG-CB 3.5Å; F146-N189 HydrophobicContact CB-CB 4.19Å; Y185-N189 VanDerWaalsContact CD2-ND2 3.33Å; Y185-N189 WeakPolarHBondContact CD2-ND2 3.14Å; Y185-N189 WeakPolarHBondContact CE2-ND2 3.36Å; Y185-N189 WeakPolarHBondContact O-CB 3.18Å; Y185-N189 PolarHBondContact O-N 3.24Å; Y185-N189 PolarHBondContact O-ND2 3.37Å; F186-N189 PolarHBondContact O-N 3.1Å; I187-N189 PolarHBondContact O-N 3.34Å; N189-A193 VanDerWaalsContact O-CB 3.23Å; N189-A193 WeakPolarHBondContact O-CB 3.06Å; N189-A193 PolarHBondContact O-N 3.21Å
190	L	98.2	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-44.4	170	-58.9	-175	0	0	0	111	V93 P145 T149 F168 V170 F186 I187 R188	V93-L190 HydrophobicContact CG1-CD2 4.22Å; V93-L190 HydrophobicContact CG2-CD1 4.17Å; V93-L190 HydrophobicContact CG2-CD2 4.02Å; P145-L190 HydrophobicContact CB-CD2 3.81Å; P145-L190 HydrophobicContact CB-CG 4.5Å; T149-L190 VanDerWaalsContact OG1-CD2 3.31Å; T149-L190 WeakPolarHBondContact OG1-CD2 3.48Å; F168-L190 HydrophobicContact CD1-CD1 4.44Å; F168-L190 HydrophobicContact CE1-CB 4.35Å; F168-L190 HydrophobicContact CE1-CD2 4.37Å; F168-L190 HydrophobicContact CE2-CB 4.12Å; F168-L190 HydrophobicContact CG-CD1 4.38Å; F168-L190 HydrophobicContact CZ-CB 4.04Å; V170-L190 HydrophobicContact CG2-CD1 4.1Å; F186-L190 HydrophobicContact CD1-CD1 4.19Å; F186-L190 HydrophobicContact CD1-CG 4.41Å; F186-L190 HydrophobicContact CE1-CD1 3.98Å; F186-L190 HydrophobicContact CE1-CD2 4.26Å; F186-L190 HydrophobicContact CE1-CG 4.35Å; F186-L190 WeakPolarHBondContact O-CG 3.25Å; F186-L190 PolarHBondContact O-N 3.39Å; I187-L190 HydrophobicContact CD1-CD1 4.22Å; I187-L190 WeakPolarHBondContact O-CB 3.43Å; I187-L190 PolarHBondContact O-N 2.97Å; I187-L190 VanDerWaalsContact O-N 3.1Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.77Å
191	H	98.2	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-44.9	176.7	-79.4	-69	0	0	0	112.1	I187 R188 A193 L194 S195 A205 S209 Y239	I187-H191 PolarHBondContact O-N 3.21Å; R188-H191 PolarHBondContact O-N 3.49Å; R188-H191 VanDerWaalsContact O-N 3.16Å; H191-A193 VanDerWaalsContact C-N 3.34Å; H191-A193 PolarHBondContact O-N 2.93Å; H191-L194 PolarHBondContact O-N 3.07Å; H191-L194 VanDerWaalsContact O-N 3.1Å; H191-S195 PolarHBondContact O-N 3.22Å; H191-S195 PolarHBondContact O-OG 3.31Å; H191-A205 HydrophobicContact CB-CB 3.81Å; H191-S209 WeakPolarHBondContact ND1-CB 3.46Å; H191-S209 PolarHBondContact ND1-OG 2.73Å; H191-Y239 PolarHBondContact NE2-O 3Å
192	D	97.6	Very high	97	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-37.3	179.3	-76.3	-10.3	0	0	0	112	R188 L194 S195 G196 H197 S199	R188-D192 WeakPolarHBondContact O-CB 3.19Å; R188-D192 PolarHBondContact O-N 2.9Å; D192-L194 PolarHBondContact O-N 3.23Å; D192-S195 WeakPolarHBondContact CA-OG 3.18Å; D192-S195 PolarHBondContact O-N 3.21Å; D192-S195 PolarHBondContact O-OG 3.09Å; D192-G196 WeakPolarHBondContact O-CA 3.45Å; D192-G196 PolarHBondContact O-N 3.08Å; D192-H197 WeakPolarHBondContact CB-O 3.45Å; D192-H197 VanDerWaalsContact CG-O 3.24Å; D192-S199 WeakPolarHBondContact OD1-CB 3.44Å; D192-S199 PolarHBondContact OD1-OG 2.94Å; D192-S199 WeakPolarHBondContact OD2-CB 3.44Å; D192-S199 PolarHBondContact OD2-N 3.31Å; D192-S199 PolarHBondContact OD2-OG 3.2Å
193	A	96.9	Very high	96.9	Very high	18 Å²	18	37.4 Å²	37.4	15%	0.149	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-24.5	174.3	0	0	0	0	0	113.8	F146 T149 R150 N189 H191	F146-A193 HydrophobicContact CD2-CB 3.65Å; F146-A193 VanDerWaalsContact CE2-CA 3.49Å; F146-A193 HydrophobicContact CE2-CB 3.98Å; F146-A193 HydrophobicContact CG-CB 4.18Å; T149-A193 HydrophobicContact CG2-CB 3.47Å; T149-A193 VanDerWaalsContact CG2-CB 3.47Å; R150-A193 HydrophobicContact CG-CB 4.19Å; N189-A193 VanDerWaalsContact O-CB 3.23Å; N189-A193 WeakPolarHBondContact O-CB 3.06Å; N189-A193 PolarHBondContact O-N 3.21Å; H191-A193 VanDerWaalsContact C-N 3.34Å; H191-A193 PolarHBondContact O-N 2.93Å
194	L	95.9	Very high	96.9	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-93	-35	174.1	-59.1	-172	0	0	0	112.9	T149 V153 V166 F168 H191 D192 S212 T214 C216	T149-L194 HydrophobicContact CG2-CD2 3.88Å; T149-L194 HydrophobicContact CG2-CG 4.47Å; V153-L194 HydrophobicContact CG2-CD2 4.04Å; V166-L194 HydrophobicContact CB-CD1 3.98Å; V166-L194 HydrophobicContact CG1-CD1 4.15Å; V166-L194 HydrophobicContact CG2-CD1 4.47Å; V166-L194 HydrophobicContact CG2-CD2 4.26Å; F168-L194 HydrophobicContact CE2-CD1 3.44Å; F168-L194 VanDerWaalsContact CE2-CD1 3.44Å; F168-L194 HydrophobicContact CE2-CG 4.05Å; F168-L194 HydrophobicContact CZ-CD1 3.62Å; F168-L194 HydrophobicContact CZ-CD2 4.07Å; F168-L194 HydrophobicContact CZ-CG 3.77Å; H191-L194 PolarHBondContact O-N 3.07Å; H191-L194 VanDerWaalsContact O-N 3.1Å; D192-L194 PolarHBondContact O-N 3.23Å; L194-S212 PolarHBondContact O-OG 3.18Å; L194-T214 HydrophobicContact CB-CG2 4.4Å; L194-T214 HydrophobicContact CD1-CG2 4.35Å; L194-T214 HydrophobicContact CD2-CG2 3.86Å; L194-T214 HydrophobicContact CG-CG2 4.43Å; L194-C216 HydrophobicContact CD1-CB 3.95Å
195	S	95.2	Very high	96.9	Very high	31 Å²	31	37.3 Å²	37.3	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-81.4	-28.3	-177.2	70.5	0	0	0	0	113	H191 D192 H197	H191-S195 PolarHBondContact O-N 3.22Å; H191-S195 PolarHBondContact O-OG 3.31Å; D192-S195 WeakPolarHBondContact CA-OG 3.18Å; D192-S195 PolarHBondContact O-N 3.21Å; D192-S195 PolarHBondContact O-OG 3.09Å; S195-H197 PolarHBondContact O-N 2.89Å; S195-H197 WeakPolarHBondContact OG-CB 3.36Å; S195-H197 PolarHBondContact OG-N 3.17Å; S195-H197 VanDerWaalsContact OG-N 3.07Å
196	G	93.3	Very high	96.8	Very high	69 Å²	69	34.1 Å²	34.1	71%	0.711	21%	0.21	S	C	*	.			trans	76	3.3	-169	0	0	0	0	0	113.8	D192	D192-G196 WeakPolarHBondContact O-CA 3.45Å; D192-G196 PolarHBondContact O-N 3.08Å
197	H	94.2	Very high	96.6	Very high	56 Å²	56	42.3 Å²	42.3	26%	0.259	24%	0.241	S	C	.	.			trans	-84.6	168.3	174.8	-170	46.7	0	0	0	110.8	D192 S195 S199 E204 Y208	D192-H197 WeakPolarHBondContact CB-O 3.45Å; D192-H197 VanDerWaalsContact CG-O 3.24Å; S195-H197 PolarHBondContact O-N 2.89Å; S195-H197 WeakPolarHBondContact OG-CB 3.36Å; S195-H197 PolarHBondContact OG-N 3.17Å; S195-H197 VanDerWaalsContact OG-N 3.07Å; H197-S199 PolarHBondContact CD2-OG 3.27Å; H197-E204 IonicContact CD2-OE1 2.69Å; H197-E204 IonicContact NE2-OE1 2.97Å; H197-E204 PolarHBondContact NE2-OE1 2.89Å; H197-Y208 HydrophobicContact CB-CG 4.45Å; H197-Y208 AromaticContact CD2-CD1 3.98Å; H197-Y208 AromaticContact CD2-CD2 3.44Å; H197-Y208 VanDerWaalsContact CD2-CD2 3.44Å; H197-Y208 WeakPolarHBondContact CD2-CD2 3.5Å; H197-Y208 AromaticContact CD2-CE2 3.81Å; H197-Y208 AromaticContact CD2-CG 3.54Å; H197-Y208 AromaticContact NE2-CD2 3.7Å; H197-Y208 AromaticContact NE2-CE2 3.55Å; H197-Y208 AromaticContact NE2-CZ 3.83Å
198	T	96.1	Very high	96.4	Very high	121 Å²	121	47 Å²	47	74%	0.742	26%	0.26	S	S	*	.			trans	-125.7	113.9	170.7	-59.5	0	0	0	0	108.4
199	S	96.8	Very high	96.3	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.042	25%	0.25	C	S	.	.			trans	-107.9	147.6	-167.7	-55.7	0	0	0	0	112.6	R188 D192 H197 A205	R188-S199 WeakPolarHBondContact CD-O 3.47Å; D192-S199 WeakPolarHBondContact OD1-CB 3.44Å; D192-S199 PolarHBondContact OD1-OG 2.94Å; D192-S199 WeakPolarHBondContact OD2-CB 3.44Å; D192-S199 PolarHBondContact OD2-N 3.31Å; D192-S199 PolarHBondContact OD2-OG 3.2Å; H197-S199 PolarHBondContact CD2-OG 3.27Å; S199-A205 WeakPolarHBondContact OG-CA 3.37Å; S199-A205 WeakPolarHBondContact OG-CB 3.43Å; S199-A205 PolarHBondContact OG-N 3.49Å
200	N	95.9	Very high	95.9	Very high	124 Å²	124	44.2 Å²	44.2	66%	0.663	25%	0.248	S	C	*	.	S	Bend	trans	-80.2	-23.4	179.8	-62.3	-69.1	0	0	0	113.6	R188 E204	R188-N200 VanDerWaalsContact NH1-C 3.3Å; R188-N200 PolarHBondContact NH1-O 3.3Å; N200-E204 WeakPolarHBondContact CB-OE2 3.46Å; N200-E204 PolarHBondContact N-OE2 3.01Å; N200-E204 PolarHBondContact ND2-OE2 3.23Å
201	N	97.1	Very high	95.5	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.364	28%	0.283	S	S	.	.	S	Bend	trans	-156.7	170.7	178.9	56.7	60.3	0	0	0	110.3	D184 A203 E204 A205	D184-N201 WeakPolarHBondContact OD1-CA 3.49Å; N201-A203 VanDerWaalsContact C-N 3.31Å; N201-A203 PolarHBondContact O-N 3.17Å; N201-A203 WeakPolarHBondContact OD1-CB 3.49Å; N201-A203 PolarHBondContact OD1-N 3.47Å; N201-E204 PolarHBondContact O-N 2.91Å; N201-E204 PolarHBondContact OD1-N 2.93Å; N201-A205 PolarHBondContact O-N 3.08Å; N201-A205 VanDerWaalsContact O-N 3.13Å
202	V	96.9	Very high	95.2	Very high	13 Å²	13	54 Å²	54	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-35.2	-178.7	68	0	0	0	0	113.3	D184 I187 E204 A205 V206 Y239	D184-V202 WeakPolarHBondContact OD1-CB 3.24Å; D184-V202 WeakPolarHBondContact OD1-CG1 3.41Å; D184-V202 PolarHBondContact OD1-N 2.79Å; I187-V202 HydrophobicContact CB-CG2 4.06Å; I187-V202 HydrophobicContact CG2-CG2 3.48Å; I187-V202 VanDerWaalsContact CG2-CG2 3.48Å; V202-E204 PolarHBondContact O-N 2.58Å; V202-A205 PolarHBondContact O-N 3.05Å; V202-V206 HydrophobicContact CG2-CG2 4.21Å; V202-V206 WeakPolarHBondContact O-CB 3.4Å; V202-V206 VanDerWaalsContact O-CG2 3.3Å; V202-V206 WeakPolarHBondContact O-CG2 3.18Å; V202-V206 PolarHBondContact O-N 3.44Å; V202-Y239 HydrophobicContact CG1-CD1 4.15Å; V202-Y239 HydrophobicContact CG1-CE1 4.27Å; V202-Y239 HydrophobicContact CG2-CD1 3.93Å
203	A	96	Very high	94.8	Very high	60 Å²	60	61.2 Å²	61.2	50%	0.496	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-40.8	-179.1	0	0	0	0	0	111.9	N201 R207	N201-A203 VanDerWaalsContact C-N 3.31Å; N201-A203 PolarHBondContact O-N 3.17Å; N201-A203 WeakPolarHBondContact OD1-CB 3.49Å; N201-A203 PolarHBondContact OD1-N 3.47Å; A203-R207 PolarHBondContact O-N 2.85Å
204	E	97	Very high	94.6	Very high	38 Å²	38	61.3 Å²	61.3	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-48.9	171.4	-171.5	-173.8	172.3	0	0	110.6	H197 N200 N201 V202 V206 R207 Y208	H197-E204 IonicContact CD2-OE1 2.69Å; H197-E204 IonicContact NE2-OE1 2.97Å; H197-E204 PolarHBondContact NE2-OE1 2.89Å; N200-E204 WeakPolarHBondContact CB-OE2 3.46Å; N200-E204 PolarHBondContact N-OE2 3.01Å; N200-E204 PolarHBondContact ND2-OE2 3.23Å; N201-E204 PolarHBondContact O-N 2.91Å; N201-E204 PolarHBondContact OD1-N 2.93Å; V202-E204 PolarHBondContact O-N 2.58Å; E204-V206 VanDerWaalsContact C-N 3.33Å; E204-V206 PolarHBondContact O-N 3.16Å; E204-R207 WeakPolarHBondContact O-CB 3.14Å; E204-R207 PolarHBondContact O-N 3.02Å; E204-Y208 HydrophobicContact CG-CD2 3.85Å; E204-Y208 HydrophobicContact CG-CE2 3.79Å; E204-Y208 WeakPolarHBondContact O-CD2 3.16Å; E204-Y208 PolarHBondContact O-N 3.32Å
205	A	97.3	Very high	94.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-42.5	-178.4	0	0	0	0	0	112.7	R188 H191 S199 N201 V202 R207 Y208 S209	R188-A205 HydrophobicContact CB-CB 3.83Å; H191-A205 HydrophobicContact CB-CB 3.81Å; S199-A205 WeakPolarHBondContact OG-CA 3.37Å; S199-A205 WeakPolarHBondContact OG-CB 3.43Å; S199-A205 PolarHBondContact OG-N 3.49Å; N201-A205 PolarHBondContact O-N 3.08Å; N201-A205 VanDerWaalsContact O-N 3.13Å; V202-A205 PolarHBondContact O-N 3.05Å; A205-R207 PolarHBondContact O-N 3.39Å; A205-Y208 PolarHBondContact O-N 2.96Å; A205-S209 WeakPolarHBondContact O-CB 3.09Å; A205-S209 PolarHBondContact O-N 2.81Å
206	V	96.5	Very high	94.5	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-44.7	175.1	164.8	0	0	0	0	111.1	V202 E204 Y208 S209 E210 V525	V202-V206 HydrophobicContact CG2-CG2 4.21Å; V202-V206 WeakPolarHBondContact O-CB 3.4Å; V202-V206 VanDerWaalsContact O-CG2 3.3Å; V202-V206 WeakPolarHBondContact O-CG2 3.18Å; V202-V206 PolarHBondContact O-N 3.44Å; E204-V206 VanDerWaalsContact C-N 3.33Å; E204-V206 PolarHBondContact O-N 3.16Å; V206-Y208 PolarHBondContact O-N 3.16Å; V206-S209 PolarHBondContact O-N 3.01Å; V206-E210 PolarHBondContact O-N 3.46Å; V206-V525 HydrophobicContact CG1-CG1 3.94Å; V206-V525 HydrophobicContact CG1-CG2 3.76Å; V206-V525 HydrophobicContact CG2-CG2 4.41Å; V206-V525 VanDerWaalsContact O-CG1 3.23Å; V206-V525 WeakPolarHBondContact O-CG1 3.5Å
207	R	94.4	Very high	94.6	Very high	172 Å²	172	59.6 Å²	59.6	65%	0.649	30%	0.295	S	S	*	.	H	α-helix	trans	-61	-43.6	179.6	-171.3	-173.2	-61.5	173.8	0.2	112.1	A203 E204 A205	A203-R207 PolarHBondContact O-N 2.85Å; E204-R207 WeakPolarHBondContact O-CB 3.14Å; E204-R207 PolarHBondContact O-N 3.02Å; A205-R207 PolarHBondContact O-N 3.39Å
208	Y	95.1	Very high	94.7	Very high	100 Å²	100	57 Å²	57	39%	0.392	28%	0.283	S	S	.	.	H	α-helix	trans	-74.8	-36.3	177.3	-80	-86.8	0	0	0	112.6	H197 E204 A205 V206 E210 R211 S212	H197-Y208 HydrophobicContact CB-CG 4.45Å; H197-Y208 AromaticContact CD2-CD1 3.98Å; H197-Y208 AromaticContact CD2-CD2 3.44Å; H197-Y208 VanDerWaalsContact CD2-CD2 3.44Å; H197-Y208 WeakPolarHBondContact CD2-CD2 3.5Å; H197-Y208 AromaticContact CD2-CE2 3.81Å; H197-Y208 AromaticContact CD2-CG 3.54Å; H197-Y208 AromaticContact NE2-CD2 3.7Å; H197-Y208 AromaticContact NE2-CE2 3.55Å; H197-Y208 AromaticContact NE2-CZ 3.83Å; E204-Y208 HydrophobicContact CG-CD2 3.85Å; E204-Y208 HydrophobicContact CG-CE2 3.79Å; E204-Y208 WeakPolarHBondContact O-CD2 3.16Å; E204-Y208 PolarHBondContact O-N 3.32Å; A205-Y208 PolarHBondContact O-N 2.96Å; V206-Y208 PolarHBondContact O-N 3.16Å; Y208-E210 PolarHBondContact O-N 2.74Å; Y208-R211 PolarHBondContact O-N 3.26Å; Y208-S212 PolarHBondContact O-N 3.23Å
209	S	94.6	Very high	94.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-32.9	178.7	-169.8	0	0	0	0	112.6	H191 A205 V206 R211 S212	H191-S209 WeakPolarHBondContact ND1-CB 3.46Å; H191-S209 PolarHBondContact ND1-OG 2.73Å; A205-S209 WeakPolarHBondContact O-CB 3.09Å; A205-S209 PolarHBondContact O-N 2.81Å; V206-S209 PolarHBondContact O-N 3.01Å; S209-R211 PolarHBondContact O-N 2.66Å; S209-S212 VanDerWaalsContact O-CB 3.3Å; S209-S212 WeakPolarHBondContact O-CB 3.28Å; S209-S212 PolarHBondContact O-N 2.86Å
210	E	91.8	Very high	94.9	Very high	23 Å²	23	51 Å²	51	11%	0.107	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.2	174.6	-169	174.7	136	0	0	112.9	V206 Y208 K215 V525 R528 R532	V206-E210 PolarHBondContact O-N 3.46Å; Y208-E210 PolarHBondContact O-N 2.74Å; E210-K215 PolarHBondContact O-NZ 3.37Å; E210-V525 HydrophobicContact CB-CG1 3.89Å; E210-R528 VanDerWaalsContact OE2-CD 3.23Å; E210-R528 WeakPolarHBondContact OE2-CD 3.35Å; E210-R528 IonicContact OE2-NH1 2.76Å; E210-R528 PolarHBondContact OE2-NH1 3.11Å; E210-R532 IonicContact OE1-CZ 2.66Å; E210-R532 IonicContact OE1-NH1 2.81Å; E210-R532 PolarHBondContact OE1-NH1 2.72Å; E210-R532 IonicContact OE1-NH2 3.18Å; E210-R532 PolarHBondContact OE1-NH2 2.74Å; E210-R532 IonicContact OE2-NH2 3.53Å
211	R	89.3	Confident	95	Very high	195 Å²	195	45.1 Å²	45.1	74%	0.736	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.8	179.4	-59.8	-178.6	-177.9	-179.2	-0.4	113.5	Y208 S209	Y208-R211 PolarHBondContact O-N 3.26Å; S209-R211 PolarHBondContact O-N 2.66Å
212	S	91.8	Very high	95	Very high	11 Å²	11	42.2 Å²	42.2	8%	0.077	20%	0.199	C	C	.	.			trans	-59.2	148.4	-178.1	179.5	0	0	0	0	112.9	L194 Y208 S209 T214 K215	L194-S212 PolarHBondContact O-OG 3.18Å; Y208-S212 PolarHBondContact O-N 3.23Å; S209-S212 VanDerWaalsContact O-CB 3.3Å; S209-S212 WeakPolarHBondContact O-CB 3.28Å; S209-S212 PolarHBondContact O-N 2.86Å; S212-T214 VanDerWaalsContact C-N 3.31Å; S212-T214 WeakPolarHBondContact CB-O 3.49Å; S212-T214 PolarHBondContact OG-N 3.46Å; S212-T214 PolarHBondContact OG-O 2.95Å; S212-T214 VanDerWaalsContact OG-O 3.06Å; S212-K215 WeakPolarHBondContact O-CD 3.39Å; S212-K215 WeakPolarHBondContact O-CE 3.29Å; S212-K215 PolarHBondContact O-NZ 3.5Å
213	N	88.3	Confident	94.9	Very high	154 Å²	154	41.8 Å²	41.8	82%	0.824	20%	0.196	S	C	*	.	S	Bend	trans	-65.4	-36.6	168.8	-69.6	-29.5	0	0	0	111.9
214	T	92.5	Very high	94.9	Very high	20 Å²	20	39.1 Å²	39.1	12%	0.123	17%	0.173	C	C	.	.	S	Bend	trans	-93.9	108.2	174.4	-61.2	0	0	0	0	109.2	V163 V166 L194 S212	V163-T214 WeakPolarHBondContact O-CG2 3.21Å; V166-T214 HydrophobicContact CG2-CG2 3.66Å; L194-T214 HydrophobicContact CB-CG2 4.4Å; L194-T214 HydrophobicContact CD1-CG2 4.35Å; L194-T214 HydrophobicContact CD2-CG2 3.86Å; L194-T214 HydrophobicContact CG-CG2 4.43Å; S212-T214 VanDerWaalsContact C-N 3.31Å; S212-T214 WeakPolarHBondContact CB-O 3.49Å; S212-T214 PolarHBondContact OG-N 3.46Å; S212-T214 PolarHBondContact OG-O 2.95Å; S212-T214 VanDerWaalsContact OG-O 3.06Å
215	K	93.1	Very high	94.8	Very high	53 Å²	53	37.5 Å²	37.5	23%	0.23	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	-171.2	-61	-57.9	-174.1	-170.6	0	111.4	D164 K165 V166 E210 S212 V217	D164-K215 PolarHBondContact O-N 3.49Å; K165-K215 WeakPolarHBondContact CA-O 3.35Å; V166-K215 PolarHBondContact N-O 3.23Å; E210-K215 PolarHBondContact O-NZ 3.37Å; S212-K215 WeakPolarHBondContact O-CD 3.39Å; S212-K215 WeakPolarHBondContact O-CE 3.29Å; S212-K215 PolarHBondContact O-NZ 3.5Å; K215-V217 HydrophobicContact CB-CG1 4.14Å; K215-V217 PolarHBondContact O-N 3.3Å
216	C	96.3	Very high	94.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	100.6	163.2	-176.7	0	0	0	0	109	V166 L194 G526	V166-C216 CarbonylContact O-C 3.57Å; V166-C216 WeakPolarHBondContact O-CA 3.43Å; L194-C216 HydrophobicContact CD1-CB 3.95Å; C216-G526 WeakPolarHBondContact O-CA 3.47Å; C216-G526 PolarHBondContact O-N 3.12Å
217	V	95.2	Very high	94.6	Very high	24 Å²	24	41.3 Å²	41.3	15%	0.145	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-9.2	-176.5	-58.5	0	0	0	0	113.2	I88 K165 V166 E167 K215 T527	I88-V217 HydrophobicContact CD1-CG2 4.16Å; I88-V217 HydrophobicContact CG1-CG2 4.39Å; I88-V217 HydrophobicContact CG2-CG2 3.86Å; K165-V217 HydrophobicContact CB-CG1 3.68Å; K165-V217 HydrophobicContact CB-CG2 4.27Å; K165-V217 HydrophobicContact CD-CG1 4.17Å; K165-V217 HydrophobicContact CG-CG1 3.78Å; V166-V217 WeakPolarHBondContact O-CG2 3.45Å; V166-V217 PolarHBondContact O-N 3.33Å; E167-V217 HydrophobicContact CB-CG2 4.32Å; K215-V217 HydrophobicContact CB-CG1 4.14Å; K215-V217 PolarHBondContact O-N 3.3Å; V217-T527 HydrophobicContact CB-CG2 3.93Å; V217-T527 HydrophobicContact CG1-CG2 3.72Å
218	G	96.3	Very high	94.7	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	149.8	173.8	0	0	0	0	0	111.7	E167 F168 T242	E167-G218 CarbonylContact C-O 3.56Å; E167-G218 VanDerWaalsContact CA-O 3.31Å; E167-G218 WeakPolarHBondContact CA-O 3.48Å; F168-G218 PolarHBondContact N-O 3.28Å; G218-T242 WeakPolarHBondContact CA-OG1 3.5Å
219	I	98.4	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.1	166.3	-63.5	159.8	0	0	0	107.5	F168 V170 I221 Y239 C241 T242 R243	F168-I219 HydrophobicContact CB-CB 4.46Å; F168-I219 HydrophobicContact CB-CG1 4.04Å; F168-I219 HydrophobicContact CB-CG2 4.36Å; F168-I219 HydrophobicContact CD2-CG1 4Å; F168-I219 HydrophobicContact CG-CG1 4.49Å; V170-I219 HydrophobicContact CG2-CG2 4.14Å; I219-I221 HydrophobicContact CG2-CD1 4.45Å; I219-I221 HydrophobicContact CG2-CG1 3.99Å; I219-Y239 WeakPolarHBondContact CD1-O 3.38Å; I219-C241 PolarHBondContact O-SG 3.38Å; I219-T242 PolarHBondContact O-N 3.11Å; I219-T242 PolarHBondContact O-OG1 2.97Å; I219-R243 PolarHBondContact O-N 3.2Å
220	T	98.6	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.4	168.8	-55	0	0	0	0	109.4	F168 I169 V170 R243 E245	F168-T220 WeakPolarHBondContact O-CB 3.38Å; F168-T220 PolarHBondContact O-N 3.27Å; I169-T220 HydrophobicContact CG2-CG2 4.42Å; V170-T220 PolarHBondContact N-O 3.16Å; T220-R243 VanDerWaalsContact CA-O 3.24Å; T220-R243 WeakPolarHBondContact CA-O 3.4Å; T220-R243 HydrophobicContact CG2-CB 4.21Å; T220-R243 HydrophobicContact CG2-CG 4.1Å; T220-R243 PolarHBondContact OG1-NE 2.79Å; T220-R243 VanDerWaalsContact OG1-NE 3.1Å; T220-R243 PolarHBondContact OG1-NH2 2.76Å; T220-E245 HydrophobicContact CG2-CB 4.38Å; T220-E245 HydrophobicContact CG2-CG 3.66Å; T220-E245 WeakPolarHBondContact CG2-OE1 3.47Å
221	I	98.4	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.4	175.1	-63.3	175.2	0	0	0	109.2	V170 F175 M176 I219 M236 Y239 C241 R243 E245	V170-I221 HydrophobicContact CB-CG1 4.34Å; V170-I221 HydrophobicContact CG2-CG1 4.36Å; F175-I221 HydrophobicContact CD1-CG2 4.11Å; F175-I221 HydrophobicContact CE1-CD1 4.48Å; M176-I221 HydrophobicContact CG-CG2 4.25Å; M176-I221 HydrophobicContact SD-CG2 4.36Å; I219-I221 HydrophobicContact CG2-CD1 4.45Å; I219-I221 HydrophobicContact CG2-CG1 3.99Å; I221-M236 HydrophobicContact CD1-CG 4.05Å; I221-M236 HydrophobicContact CG2-CE 4.29Å; I221-Y239 HydrophobicContact CD1-CD2 4.14Å; I221-C241 HydrophobicContact CD1-CB 4.01Å; I221-C241 HydrophobicContact CG1-CB 4.49Å; I221-R243 PolarHBondContact N-O 2.7Å; I221-R243 VanDerWaalsContact N-O 3.11Å; I221-E245 PolarHBondContact O-N 3.24Å
222	E	97.1	Very high	95.5	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.8	169.8	-67.4	177.2	177.2	0	0	110.2	Y128 V170 M171 G172 E245 K317	Y128-E222 PolarHBondContact OH-OE2 3.47Å; V170-E222 PolarHBondContact O-N 3.41Å; M171-E222 WeakPolarHBondContact CA-OE2 3.4Å; G172-E222 PolarHBondContact N-OE2 3.45Å; E222-E245 CarbonylContact C-O 3.53Å; E222-E245 WeakPolarHBondContact CA-O 3.31Å; E222-E245 HydrophobicContact CB-CB 4.35Å; E222-E245 HydrophobicContact CG-CB 3.76Å; E222-E245 HydrophobicContact CG-CG 4.49Å; E222-E245 WeakPolarHBondContact CG-OE2 3.09Å; E222-K317 IonicContact OE1-NZ 3.74Å
223	T	96.1	Very high	95.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	168.6	-176.2	-168.6	0	0	0	0	112.5	G173 Y227 C228 M236 E245 I246 G247	G173-T223 CarbonylContact O-C 3.5Å; G173-T223 WeakPolarHBondContact O-CA 3.31Å; T223-Y227 WeakPolarHBondContact OG1-CB 3.44Å; T223-C228 WeakPolarHBondContact CG2-SG 3.35Å; T223-M236 HydrophobicContact CG2-CE 4.16Å; T223-E245 PolarHBondContact N-O 2.81Å; T223-I246 HydrophobicContact CG2-CG1 4.33Å; T223-G247 PolarHBondContact O-N 3.34Å
224	R	95.1	Very high	96.3	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.019	14%	0.142	C	C	.	.			trans	-88.6	151.2	166.3	-61.8	174.3	67.9	-123.6	-3.1	109.6	G173 T174 D226 Y227 R261 G262	G173-R224 PolarHBondContact O-N 3.47Å; T174-R224 HydrophobicContact CG2-CG 4.25Å; R224-D226 VanDerWaalsContact C-N 3.27Å; R224-D226 WeakPolarHBondContact CB-OD1 3.49Å; R224-D226 IonicContact CZ-OD1 3.24Å; R224-D226 IonicContact CZ-OD2 3.92Å; R224-D226 VanDerWaalsContact CZ-OD2 3.28Å; R224-D226 IonicContact NE-OD1 3.62Å; R224-D226 VanDerWaalsContact NH1-CG 3.32Å; R224-D226 IonicContact NH1-OD1 2.78Å; R224-D226 PolarHBondContact NH1-OD1 2.91Å; R224-D226 IonicContact NH1-OD2 3.39Å; R224-D226 PolarHBondContact NH1-OD2 2.8Å; R224-D226 IonicContact NH2-OD1 2.96Å; R224-D226 IonicContact NH2-OD2 2.7Å; R224-D226 PolarHBondContact NH2-OD2 3.2Å; R224-D226 PolarHBondContact O-N 2.91Å; R224-Y227 PolarHBondContact O-N 3.26Å; R224-R261 PolarHBondContact NH2-O 2.79Å; R224-R261 VanDerWaalsContact NH2-O 3.1Å; R224-G262 PolarHBondContact NH2-O 2.97Å
225	P	95.5	Very high	96.6	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.019	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.3	-31.5	-178	25.8	-36.2	0	0	0	113.3	Y227 C228 I246 H263 V268	P225-Y227 PolarHBondContact O-N 3.11Å; P225-C228 WeakPolarHBondContact O-CB 3.41Å; P225-C228 PolarHBondContact O-N 3.42Å; P225-C228 VanDerWaalsContact O-N 3.07Å; P225-I246 HydrophobicContact CB-CG2 3.94Å; P225-I246 HydrophobicContact CG-CG2 4.39Å; P225-H263 HydrophobicContact CG-CB 4.01Å; P225-H263 VanDerWaalsContact CG-CD2 3.41Å; P225-H263 WeakPolarHBondContact CG-CD2 3.48Å; P225-H263 WeakPolarHBondContact CG-ND1 3.41Å; P225-V268 HydrophobicContact CB-CB 4.49Å; P225-V268 HydrophobicContact CB-CG2 3.96Å; P225-V268 HydrophobicContact CG-CG2 3.76Å
226	D	93.4	Very high	96.8	Very high	42 Å²	42	28.2 Å²	28.2	23%	0.225	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-69.6	-9.7	174.4	60	-29.4	0	0	0	113.5	R224	R224-D226 VanDerWaalsContact C-N 3.27Å; R224-D226 WeakPolarHBondContact CB-OD1 3.49Å; R224-D226 IonicContact CZ-OD1 3.24Å; R224-D226 IonicContact CZ-OD2 3.92Å; R224-D226 VanDerWaalsContact CZ-OD2 3.28Å; R224-D226 IonicContact NE-OD1 3.62Å; R224-D226 VanDerWaalsContact NH1-CG 3.32Å; R224-D226 IonicContact NH1-OD1 2.78Å; R224-D226 PolarHBondContact NH1-OD1 2.91Å; R224-D226 IonicContact NH1-OD2 3.39Å; R224-D226 PolarHBondContact NH1-OD2 2.8Å; R224-D226 IonicContact NH2-OD1 2.96Å; R224-D226 IonicContact NH2-OD2 2.7Å; R224-D226 PolarHBondContact NH2-OD2 3.2Å; R224-D226 PolarHBondContact O-N 2.91Å
227	Y	95.7	Very high	96.9	Very high	51 Å²	51	28.6 Å²	28.6	20%	0.2	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-107.1	22.8	170.4	-77.7	-91.5	0	0	0	113.1	P101 M176 A177 T223 R224 P225 H232	P101-Y227 HydrophobicContact CB-CE2 3.99Å; P101-Y227 WeakPolarHBondContact CB-OH 3.3Å; P101-Y227 HydrophobicContact CG-CD2 4.29Å; P101-Y227 HydrophobicContact CG-CE2 3.32Å; P101-Y227 WeakPolarHBondContact CG-OH 3.31Å; M176-Y227 HydrophobicContact CB-CD1 4.14Å; M176-Y227 HydrophobicContact CB-CG 4.44Å; A177-Y227 HydrophobicContact CB-CD1 4.27Å; A177-Y227 HydrophobicContact CB-CE1 3.67Å; A177-Y227 HydrophobicContact CB-CE2 4.25Å; T223-Y227 WeakPolarHBondContact OG1-CB 3.44Å; R224-Y227 PolarHBondContact O-N 3.26Å; P225-Y227 PolarHBondContact O-N 3.11Å; Y227-H232 VanDerWaalsContact C-ND1 3.3Å; Y227-H232 WeakPolarHBondContact CA-ND1 3.42Å; Y227-H232 AromaticContact CD1-CE1 3.64Å; Y227-H232 AromaticContact CD1-NE2 3.91Å; Y227-H232 WeakPolarHBondContact O-CB 3.49Å; Y227-H232 PolarHBondContact O-ND1 3.2Å
228	C	95.7	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.			trans	-112.6	31.2	173.4	-76.8	0	0	0	0	113	T223 P225 L233	T223-C228 WeakPolarHBondContact CG2-SG 3.35Å; P225-C228 WeakPolarHBondContact O-CB 3.41Å; P225-C228 PolarHBondContact O-N 3.42Å; P225-C228 VanDerWaalsContact O-N 3.07Å; C228-L233 HydrophobicContact CB-CD2 4.42Å; C228-L233 WeakPolarHBondContact O-CD1 3.39Å
229	L	96.1	Very high	97.1	Very high	95 Å²	95	30.6 Å²	30.6	50%	0.497	15%	0.148	S	C	.	.	S	Bend	trans	-73	164.8	175	-53.8	180	0	0	0	111.8	R231 H232 L233	L229-R231 VanDerWaalsContact C-N 3.27Å; L229-R231 PolarHBondContact O-N 2.91Å; L229-R231 VanDerWaalsContact O-N 3.11Å; L229-H232 WeakPolarHBondContact O-CB 3.25Å; L229-H232 PolarHBondContact O-N 3.2Å; L229-L233 PolarHBondContact O-N 3.48Å
230	K	97.3	Very high	97	Very high	116 Å²	116	30.9 Å²	30.9	50%	0.504	15%	0.151	S	C	.	.	H	α-helix	trans	-49.5	-41.2	-176.4	-63.5	178.9	-180	176.2	0	114.2	S234 L274 F462	K230-S234 WeakPolarHBondContact O-CB 3.44Å; K230-S234 PolarHBondContact O-N 2.97Å; K230-S234 VanDerWaalsContact O-N 3.09Å; K230-S234 PolarHBondContact O-OG 3.17Å; K230-L274 HydrophobicContact CG-CD2 4.24Å; K230-F462 HydrophobicContact CB-CD2 3.83Å; K230-F462 HydrophobicContact CB-CE2 3.85Å; K230-F462 HydrophobicContact CB-CG 4.18Å; K230-F462 HydrophobicContact CB-CZ 4.22Å; K230-F462 HydrophobicContact CD-CB 3.81Å; K230-F462 HydrophobicContact CD-CD1 4.43Å; K230-F462 HydrophobicContact CD-CD2 4.2Å; K230-F462 HydrophobicContact CD-CG 3.9Å; K230-F462 HydrophobicContact CG-CB 4.22Å; K230-F462 HydrophobicContact CG-CD1 3.92Å; K230-F462 HydrophobicContact CG-CD2 3.94Å; K230-F462 HydrophobicContact CG-CE1 4.26Å; K230-F462 HydrophobicContact CG-CE2 4.28Å; K230-F462 HydrophobicContact CG-CG 3.75Å; K230-F462 HydrophobicContact CG-CZ 4.44Å; K230-F462 WeakPolarHBondContact O-CE2 3.49Å
231	R	96.8	Very high	97	Very high	156 Å²	156	31 Å²	31	59%	0.589	15%	0.152	S	C	*	.	H	α-helix	trans	-62.7	-53.7	174.8	179.4	-175.5	177.9	172.3	5	111.1	E180 L229 L233 S234 D235	E180-R231 IonicContact OE1-CZ 3.05Å; E180-R231 IonicContact OE1-NE 2.76Å; E180-R231 PolarHBondContact OE1-NE 3.47Å; E180-R231 IonicContact OE1-NH2 3.96Å; E180-R231 PolarHBondContact OE1-NH2 3.14Å; E180-R231 IonicContact OE2-NH2 3.99Å; L229-R231 VanDerWaalsContact C-N 3.27Å; L229-R231 PolarHBondContact O-N 2.91Å; L229-R231 VanDerWaalsContact O-N 3.11Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 2.86Å; R231-S234 WeakPolarHBondContact O-CB 3.18Å; R231-S234 PolarHBondContact O-N 3.25Å; R231-D235 PolarHBondContact O-N 2.93Å
232	H	97.9	Very high	97	Very high	26 Å²	26	32 Å²	32	12%	0.12	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-42.9	-179.2	-55.5	141.2	0	0	0	112.2	M176 Y227 L229 S234 D235 M236	M176-H232 HydrophobicContact CE-CB 3.94Å; Y227-H232 VanDerWaalsContact C-ND1 3.3Å; Y227-H232 WeakPolarHBondContact CA-ND1 3.42Å; Y227-H232 AromaticContact CD1-CE1 3.64Å; Y227-H232 AromaticContact CD1-NE2 3.91Å; Y227-H232 WeakPolarHBondContact O-CB 3.49Å; Y227-H232 PolarHBondContact O-ND1 3.2Å; L229-H232 WeakPolarHBondContact O-CB 3.25Å; L229-H232 PolarHBondContact O-N 3.2Å; H232-S234 VanDerWaalsContact C-N 3.31Å; H232-S234 PolarHBondContact O-N 3.42Å; H232-D235 WeakPolarHBondContact O-CB 3.43Å; H232-D235 PolarHBondContact O-N 3.07Å; H232-M236 VanDerWaalsContact O-CG 3.24Å; H232-M236 WeakPolarHBondContact O-CG 3.16Å; H232-M236 PolarHBondContact O-N 2.66Å
233	L	98.4	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-36.7	176.1	-66.2	177.4	0	0	0	112	C228 L229 R231 M236 L237 L244 L274 A275 F280 F462	C228-L233 HydrophobicContact CB-CD2 4.42Å; C228-L233 WeakPolarHBondContact O-CD1 3.39Å; L229-L233 PolarHBondContact O-N 3.48Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 2.86Å; L233-M236 HydrophobicContact CD2-SD 4.11Å; L233-M236 PolarHBondContact O-N 3.47Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.04Å; L233-L244 HydrophobicContact CD2-CD1 3.4Å; L233-L244 VanDerWaalsContact CD2-CD1 3.4Å; L233-L274 HydrophobicContact CD1-CB 3.56Å; L233-A275 HydrophobicContact CD2-CB 4.4Å; L233-F280 HydrophobicContact CB-CE2 4.2Å; L233-F280 HydrophobicContact CD2-CD2 4.17Å; L233-F280 HydrophobicContact CD2-CE2 3.93Å; L233-F462 HydrophobicContact CB-CZ 3.91Å; L233-F462 HydrophobicContact CD1-CE1 3.99Å; L233-F462 HydrophobicContact CD1-CZ 4.21Å
234	S	98.1	Very high	97.2	Very high	31 Å²	31	32.2 Å²	32.2	22%	0.217	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-40.1	175.3	-60.5	0	0	0	0	112.2	K230 R231 H232 L237 S238 R463	K230-S234 WeakPolarHBondContact O-CB 3.44Å; K230-S234 PolarHBondContact O-N 2.97Å; K230-S234 VanDerWaalsContact O-N 3.09Å; K230-S234 PolarHBondContact O-OG 3.17Å; R231-S234 WeakPolarHBondContact O-CB 3.18Å; R231-S234 PolarHBondContact O-N 3.25Å; H232-S234 VanDerWaalsContact C-N 3.31Å; H232-S234 PolarHBondContact O-N 3.42Å; S234-L237 PolarHBondContact O-N 2.7Å; S234-S238 PolarHBondContact O-N 2.96Å; S234-S238 VanDerWaalsContact O-N 3.1Å; S234-R463 PolarHBondContact OG-NH1 3.05Å
235	D	98	Very high	97.3	Very high	30 Å²	30	32 Å²	32	16%	0.16	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-45.5	173.1	-64.7	-12.2	0	0	0	110.8	M176 R183 R231 H232 L237 S238 Y239	M176-D235 HydrophobicContact CE-CB 4.17Å; R183-D235 IonicContact CZ-OD2 2.9Å; R183-D235 IonicContact NH1-OD2 3.77Å; R183-D235 PolarHBondContact NH1-OD2 2.82Å; R183-D235 IonicContact NH2-OD2 3.33Å; R183-D235 PolarHBondContact NH2-OD2 3.19Å; R231-D235 PolarHBondContact O-N 2.93Å; H232-D235 WeakPolarHBondContact O-CB 3.43Å; H232-D235 PolarHBondContact O-N 3.07Å; D235-L237 VanDerWaalsContact C-N 3.3Å; D235-L237 PolarHBondContact O-N 2.96Å; D235-S238 PolarHBondContact O-N 2.78Å; D235-S238 VanDerWaalsContact O-N 3.1Å; D235-S238 PolarHBondContact O-OG 3.07Å; D235-Y239 HydrophobicContact CB-CE1 4.49Å; D235-Y239 HydrophobicContact CB-CE2 4.15Å; D235-Y239 VanDerWaalsContact O-CD1 3.25Å; D235-Y239 WeakPolarHBondContact O-CD1 3.41Å; D235-Y239 WeakPolarHBondContact O-CD2 3.35Å; D235-Y239 PolarHBondContact O-N 2.87Å
236	M	98.4	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-40.1	178.1	-68.8	170.4	-178.6	0	0	112.1	M176 I221 T223 H232 L233 S238 Y239 G240 C241 L244 F280	M176-M236 HydrophobicContact CB-CE 4.49Å; M176-M236 HydrophobicContact CE-CE 3.86Å; M176-M236 HydrophobicContact CE-CG 3.86Å; M176-M236 HydrophobicContact CG-CE 3.3Å; M176-M236 HydrophobicContact SD-CE 3.67Å; M176-M236 HydrophobicContact SD-CG 3.97Å; I221-M236 HydrophobicContact CD1-CG 4.05Å; I221-M236 HydrophobicContact CG2-CE 4.29Å; T223-M236 HydrophobicContact CG2-CE 4.16Å; H232-M236 VanDerWaalsContact O-CG 3.24Å; H232-M236 WeakPolarHBondContact O-CG 3.16Å; H232-M236 PolarHBondContact O-N 2.66Å; L233-M236 HydrophobicContact CD2-SD 4.11Å; L233-M236 PolarHBondContact O-N 3.47Å; M236-S238 VanDerWaalsContact C-N 3.34Å; M236-Y239 WeakPolarHBondContact O-CB 3.44Å; M236-Y239 PolarHBondContact O-N 2.9Å; M236-G240 PolarHBondContact O-N 3.26Å; M236-C241 HydrophobicContact CB-CB 3.87Å; M236-C241 WeakPolarHBondContact O-CB 3.17Å; M236-C241 PolarHBondContact O-N 3.1Å; M236-L244 HydrophobicContact CE-CD2 4.21Å; M236-L244 HydrophobicContact CG-CD2 4.44Å; M236-L244 HydrophobicContact SD-CD1 4.04Å; M236-L244 HydrophobicContact SD-CD2 3.26Å; M236-L244 WeakPolarHBondContact SD-CD2 3.04Å; M236-L244 HydrophobicContact SD-CG 4.31Å; M236-F280 HydrophobicContact CB-CE1 4.22Å; M236-F280 HydrophobicContact CB-CZ 3.8Å
237	L	98.4	Very high	97.6	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-42.4	174.2	-72.9	169.9	0	0	0	111.4	L233 S234 D235 Y239 G240 F280 R463 I522 P541 Y542	L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.04Å; S234-L237 PolarHBondContact O-N 2.7Å; D235-L237 VanDerWaalsContact C-N 3.3Å; D235-L237 PolarHBondContact O-N 2.96Å; L237-Y239 VanDerWaalsContact C-N 3.27Å; L237-Y239 PolarHBondContact O-N 2.46Å; L237-G240 PolarHBondContact O-N 3.27Å; L237-F280 HydrophobicContact CB-CZ 4.47Å; L237-F280 HydrophobicContact CD1-CE2 4.45Å; L237-F280 HydrophobicContact CD2-CE1 4.06Å; L237-F280 HydrophobicContact CD2-CE2 3.86Å; L237-F280 HydrophobicContact CD2-CZ 3.51Å; L237-F280 HydrophobicContact CG-CE1 4.48Å; L237-F280 HydrophobicContact CG-CE2 3.84Å; L237-F280 HydrophobicContact CG-CZ 3.54Å; L237-R463 HydrophobicContact CD1-CG 4.31Å; L237-I522 HydrophobicContact CD2-CD1 3.81Å; L237-I522 HydrophobicContact CD2-CG1 4.35Å; L237-P541 HydrophobicContact CB-CB 3.87Å; L237-P541 HydrophobicContact CB-CG 4.02Å; L237-P541 HydrophobicContact CD1-CG 4.05Å; L237-P541 HydrophobicContact CD2-CB 4.47Å; L237-P541 HydrophobicContact CD2-CG 4.47Å; L237-P541 HydrophobicContact CG-CG 4.4Å; L237-Y542 VanDerWaalsContact CD1-OH 3.27Å; L237-Y542 WeakPolarHBondContact CD1-OH 3.45Å; L237-Y542 HydrophobicContact CD2-CE1 4.19Å
238	S	97.4	Very high	97.7	Very high	59 Å²	59	27.9 Å²	27.9	41%	0.413	14%	0.14	S	C	.	.	H	α-helix	trans	-67.7	-28.9	178.7	79.4	0	0	0	0	112.6	S234 D235 M236 G240	S234-S238 PolarHBondContact O-N 2.96Å; S234-S238 VanDerWaalsContact O-N 3.1Å; D235-S238 PolarHBondContact O-N 2.78Å; D235-S238 VanDerWaalsContact O-N 3.1Å; D235-S238 PolarHBondContact O-OG 3.07Å; M236-S238 VanDerWaalsContact C-N 3.34Å; S238-G240 PolarHBondContact O-N 3.43Å
239	Y	98.1	Very high	97.8	Very high	10 Å²	10	28.8 Å²	28.8	4%	0.039	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.8	172.2	-60.6	-13.9	0	0	0	113.6	F175 M176 R183 I187 H191 V202 I219 I221 D235 M236 L237	F175-Y239 HydrophobicContact CE1-CE2 4.26Å; M176-Y239 HydrophobicContact CE-CE2 4.48Å; M176-Y239 HydrophobicContact SD-CE2 4.36Å; R183-Y239 HydrophobicContact CB-CE2 4.33Å; R183-Y239 WeakPolarHBondContact CB-OH 3.39Å; R183-Y239 PolarHBondContact NH1-OH 3.23Å; R183-Y239 VanDerWaalsContact NH1-OH 3.14Å; I187-Y239 HydrophobicContact CB-CD1 4.5Å; I187-Y239 HydrophobicContact CB-CG 4.38Å; I187-Y239 HydrophobicContact CD1-CD2 4.36Å; I187-Y239 HydrophobicContact CG1-CD1 4.32Å; I187-Y239 HydrophobicContact CG1-CD2 3.87Å; I187-Y239 HydrophobicContact CG1-CE2 4.34Å; I187-Y239 HydrophobicContact CG1-CG 3.87Å; I187-Y239 HydrophobicContact CG2-CD1 4.37Å; I187-Y239 HydrophobicContact CG2-CG 4.14Å; H191-Y239 PolarHBondContact NE2-O 3Å; V202-Y239 HydrophobicContact CG1-CD1 4.15Å; V202-Y239 HydrophobicContact CG1-CE1 4.27Å; V202-Y239 HydrophobicContact CG2-CD1 3.93Å; I219-Y239 WeakPolarHBondContact CD1-O 3.38Å; I221-Y239 HydrophobicContact CD1-CD2 4.14Å; D235-Y239 HydrophobicContact CB-CE1 4.49Å; D235-Y239 HydrophobicContact CB-CE2 4.15Å; D235-Y239 VanDerWaalsContact O-CD1 3.25Å; D235-Y239 WeakPolarHBondContact O-CD1 3.41Å; D235-Y239 WeakPolarHBondContact O-CD2 3.35Å; D235-Y239 PolarHBondContact O-N 2.87Å; M236-Y239 WeakPolarHBondContact O-CB 3.44Å; M236-Y239 PolarHBondContact O-N 2.9Å; L237-Y239 VanDerWaalsContact C-N 3.27Å; L237-Y239 PolarHBondContact O-N 2.46Å
240	G	97.1	Very high	97.9	Very high	6 Å²	6	24.5 Å²	24.5	6%	0.062	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	21.6	-172.2	0	0	0	0	0	113.7	M236 L237 S238	M236-G240 PolarHBondContact O-N 3.26Å; L237-G240 PolarHBondContact O-N 3.27Å; S238-G240 PolarHBondContact O-N 3.43Å
241	C	98.4	Very high	97.9	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.7	172	-170.8	0	0	0	0	110.7	I219 I221 M236 R243 F280	I219-C241 PolarHBondContact O-SG 3.38Å; I221-C241 HydrophobicContact CD1-CB 4.01Å; I221-C241 HydrophobicContact CG1-CB 4.49Å; M236-C241 HydrophobicContact CB-CB 3.87Å; M236-C241 WeakPolarHBondContact O-CB 3.17Å; M236-C241 PolarHBondContact O-N 3.1Å; C241-R243 PolarHBondContact SG-O 2.83Å; C241-F280 HydrophobicContact CB-CE1 3.93Å; C241-F280 WeakPolarHBondContact O-CE1 3.39Å
242	T	98.3	Very high	98	Very high	21 Å²	21	14 Å²	14	13%	0.129	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-20	-179.5	54.4	0	0	0	0	112.2	G218 I219 K281	G218-T242 WeakPolarHBondContact CA-OG1 3.5Å; I219-T242 PolarHBondContact O-N 3.11Å; I219-T242 PolarHBondContact O-OG1 2.97Å; T242-K281 PolarHBondContact O-N 3.48Å; T242-K281 VanDerWaalsContact O-N 3.09Å
243	R	98.7	Very high	98	Very high	15 Å²	15	16.8 Å²	16.8	6%	0.057	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.8	-178	-174.6	167.6	77	-143	-10.1	111.3	E167 I219 T220 I221 C241 K281 V283 Y364	E167-R243 IonicContact OE1-CZ 3.09Å; E167-R243 IonicContact OE1-NE 2.79Å; E167-R243 IonicContact OE1-NH1 3.36Å; E167-R243 PolarHBondContact OE1-NH1 3.09Å; E167-R243 IonicContact OE1-NH2 3.83Å; E167-R243 PolarHBondContact OE1-NH2 2.84Å; I219-R243 PolarHBondContact O-N 3.2Å; T220-R243 VanDerWaalsContact CA-O 3.24Å; T220-R243 WeakPolarHBondContact CA-O 3.4Å; T220-R243 HydrophobicContact CG2-CB 4.21Å; T220-R243 HydrophobicContact CG2-CG 4.1Å; T220-R243 PolarHBondContact OG1-NE 2.79Å; T220-R243 VanDerWaalsContact OG1-NE 3.1Å; T220-R243 PolarHBondContact OG1-NH2 2.76Å; I221-R243 PolarHBondContact N-O 2.7Å; I221-R243 VanDerWaalsContact N-O 3.11Å; C241-R243 PolarHBondContact SG-O 2.83Å; R243-K281 CarbonylContact C-O 3.51Å; R243-K281 WeakPolarHBondContact CA-O 3.43Å; R243-K281 HydrophobicContact CB-CB 4.17Å; R243-K281 HydrophobicContact CG-CB 4Å; R243-K281 HydrophobicContact CG-CD 4.32Å; R243-K281 HydrophobicContact CG-CG 4.09Å; R243-V283 HydrophobicContact CG-CG2 4.09Å; R243-Y364 PolarHBondContact NH1-OH 3.19Å
244	L	98.1	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141	172.9	-53.9	-176.2	0	0	0	110	L233 M236 A275 F280 K281 V283	L233-L244 HydrophobicContact CD2-CD1 3.4Å; L233-L244 VanDerWaalsContact CD2-CD1 3.4Å; M236-L244 HydrophobicContact CE-CD2 4.21Å; M236-L244 HydrophobicContact CG-CD2 4.44Å; M236-L244 HydrophobicContact SD-CD1 4.04Å; M236-L244 HydrophobicContact SD-CD2 3.26Å; M236-L244 WeakPolarHBondContact SD-CD2 3.04Å; M236-L244 HydrophobicContact SD-CG 4.31Å; L244-A275 HydrophobicContact CD1-CB 3.78Å; L244-F280 HydrophobicContact CD1-CB 4.14Å; L244-F280 HydrophobicContact CD1-CD1 4.28Å; L244-F280 HydrophobicContact CD1-CD2 3.99Å; L244-F280 HydrophobicContact CD1-CE2 4.44Å; L244-F280 HydrophobicContact CD1-CG 3.88Å; L244-F280 HydrophobicContact CD2-CD1 4Å; L244-F280 HydrophobicContact CD2-CE1 4.1Å; L244-F280 HydrophobicContact CD2-CG 4.43Å; L244-F280 HydrophobicContact CG-CB 4.01Å; L244-F280 HydrophobicContact CG-CD1 3.84Å; L244-F280 HydrophobicContact CG-CD2 4.42Å; L244-F280 HydrophobicContact CG-CE1 4.39Å; L244-F280 HydrophobicContact CG-CG 3.84Å; L244-K281 PolarHBondContact N-O 3.17Å; L244-V283 PolarHBondContact O-N 3.21Å
245	E	98.3	Very high	97.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.9	172.3	-80	-171.6	-159.9	0	0	109.5	T220 I221 E222 T223 V283 H285 K317	T220-E245 HydrophobicContact CG2-CB 4.38Å; T220-E245 HydrophobicContact CG2-CG 3.66Å; T220-E245 WeakPolarHBondContact CG2-OE1 3.47Å; I221-E245 PolarHBondContact O-N 3.24Å; E222-E245 CarbonylContact C-O 3.53Å; E222-E245 WeakPolarHBondContact CA-O 3.31Å; E222-E245 HydrophobicContact CB-CB 4.35Å; E222-E245 HydrophobicContact CG-CB 3.76Å; E222-E245 HydrophobicContact CG-CG 4.49Å; E222-E245 WeakPolarHBondContact CG-OE2 3.09Å; T223-E245 PolarHBondContact N-O 2.81Å; E245-V283 CarbonylContact C-O 3.59Å; E245-V283 VanDerWaalsContact CA-O 3.3Å; E245-V283 WeakPolarHBondContact CA-O 3.14Å; E245-V283 HydrophobicContact CG-CB 3.85Å; E245-V283 HydrophobicContact CG-CG1 4Å; E245-H285 IonicContact OE2-CD2 2.73Å; E245-H285 IonicContact OE2-CE1 3.57Å; E245-H285 IonicContact OE2-NE2 3.88Å; E245-H285 PolarHBondContact OE2-NE2 3.48Å; E245-K317 WeakPolarHBondContact OE1-CE 3.39Å; E245-K317 IonicContact OE1-NZ 2.82Å; E245-K317 PolarHBondContact OE1-NZ 3.02Å; E245-K317 WeakPolarHBondContact OE2-CE 3.27Å; E245-K317 IonicContact OE2-NZ 2.74Å; E245-K317 PolarHBondContact OE2-NZ 3.09Å
246	I	98	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.4	-171.4	-60.3	173.4	0	0	0	109.1	T223 P225 V248 F272 V282 V283 A284 H285	T223-I246 HydrophobicContact CG2-CG1 4.33Å; P225-I246 HydrophobicContact CB-CG2 3.94Å; P225-I246 HydrophobicContact CG-CG2 4.39Å; I246-V248 HydrophobicContact CG2-CG2 4.2Å; I246-V248 PolarHBondContact O-N 3.31Å; I246-F272 HydrophobicContact CB-CE1 3.98Å; I246-F272 HydrophobicContact CD1-CD1 3.7Å; I246-F272 HydrophobicContact CD1-CE1 3.74Å; I246-F272 HydrophobicContact CG1-CE1 4.41Å; I246-F272 HydrophobicContact CG2-CE1 4.09Å; I246-V282 HydrophobicContact CD1-CG1 4.19Å; I246-V283 PolarHBondContact N-O 3.28Å; I246-A284 WeakPolarHBondContact O-CA 3.2Å; I246-H285 PolarHBondContact O-N 2.88Å
247	G	96.9	Very high	97.8	Very high	5 Å²	5	24.9 Å²	24.9	5%	0.052	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	84.3	176.6	0	0	0	0	0	112.6	T223 R261 H263	T223-G247 PolarHBondContact O-N 3.34Å; G247-R261 PolarHBondContact O-NE 3.24Å; G247-R261 PolarHBondContact O-NH2 2.97Å; G247-H263 PolarHBondContact O-NE2 2.95Å
248	V	97.6	Very high	97.7	Very high	4 Å²	4	28 Å²	28	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-50.4	178	-179.7	0	0	0	0	110.9	I246 S250 V268 F272 A284 H285 M286	I246-V248 HydrophobicContact CG2-CG2 4.2Å; I246-V248 PolarHBondContact O-N 3.31Å; V248-S250 WeakPolarHBondContact CG1-O 3.47Å; V248-S250 PolarHBondContact O-N 2.91Å; V248-V268 HydrophobicContact CB-CG1 4.26Å; V248-V268 HydrophobicContact CG1-CG1 3.95Å; V248-V268 HydrophobicContact CG1-CG2 4.3Å; V248-V268 HydrophobicContact CG2-CG1 3.45Å; V248-V268 VanDerWaalsContact CG2-CG1 3.45Å; V248-V268 HydrophobicContact CG2-CG2 4.29Å; V248-F272 HydrophobicContact CG2-CE1 3.96Å; V248-F272 HydrophobicContact CG2-CZ 3.71Å; V248-A284 HydrophobicContact CG2-CB 3.91Å; V248-H285 PolarHBondContact N-O 2.99Å; V248-M286 HydrophobicContact CB-SD 3.72Å; V248-M286 HydrophobicContact CG1-CE 4.48Å; V248-M286 HydrophobicContact CG1-SD 3.65Å
249	Q	96.8	Very high	97.6	Very high	19 Å²	19	25.4 Å²	25.4	9%	0.089	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-51.2	-179.8	-37.4	-52.4	-1.9	0	0	114.6	Y112 H285 M287 L290 Q301	Y112-Q249 WeakPolarHBondContact OH-CG 3.26Å; Q249-H285 PolarHBondContact N-O 3.21Å; Q249-H285 PolarHBondContact OE1-O 3.28Å; Q249-M287 HydrophobicContact CB-CB 4.39Å; Q249-M287 HydrophobicContact CB-CG 4.3Å; Q249-M287 HydrophobicContact CB-SD 4.26Å; Q249-M287 HydrophobicContact CG-SD 4.18Å; Q249-M287 PolarHBondContact O-N 3.38Å; Q249-M287 VanDerWaalsContact OE1-CG 3.26Å; Q249-M287 PolarHBondContact OE1-SD 3.06Å; Q249-L290 HydrophobicContact CB-CD1 4.29Å; Q249-Q301 PolarHBondContact O-NE2 3.1Å
250	S	97.9	Very high	97.6	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	13%	0.129	C	C	.	.			trans	-142.6	154.2	176.7	-176.8	0	0	0	0	111.3	V248 Y252 Q301	V248-S250 WeakPolarHBondContact CG1-O 3.47Å; V248-S250 PolarHBondContact O-N 2.91Å; S250-Y252 VanDerWaalsContact C-N 3.33Å; S250-Y252 WeakPolarHBondContact OG-CD2 3.45Å; S250-Y252 PolarHBondContact OG-N 2.99Å; S250-Q301 PolarHBondContact OG-OE1 3.1Å
251	V	97.9	Very high	97.5	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.055	13%	0.13	C	C	.	.	S	Bend	trans	-87.4	-3.1	172.8	-56.7	0	0	0	0	112.7	V265 M286 Q301 E304 F305 F311	V251-V265 WeakPolarHBondContact O-CG1 3.41Å; V251-V265 WeakPolarHBondContact O-CG2 3.42Å; V251-M286 HydrophobicContact CG1-CE 3.94Å; V251-Q301 HydrophobicContact CG1-CG 4.24Å; V251-Q301 HydrophobicContact CG2-CB 3.96Å; V251-Q301 HydrophobicContact CG2-CG 3.81Å; V251-E304 WeakPolarHBondContact CG2-OE2 3.29Å; V251-F305 HydrophobicContact CG1-CB 4.16Å; V251-F305 HydrophobicContact CG1-CD2 4.24Å; V251-F311 HydrophobicContact CB-CE2 4.28Å; V251-F311 HydrophobicContact CB-CZ 4.08Å; V251-F311 HydrophobicContact CG1-CE1 4.38Å; V251-F311 HydrophobicContact CG1-CE2 4Å; V251-F311 HydrophobicContact CG1-CZ 3.91Å
252	Y	98.4	Very high	97.3	Very high	42 Å²	42	28.4 Å²	28.4	17%	0.165	14%	0.139	C	C	.	.			trans	-101	134	-176.2	-53.7	-67.3	0	0	0	113.2	S250 D254 V255 A256 R297 Q301	S250-Y252 VanDerWaalsContact C-N 3.33Å; S250-Y252 WeakPolarHBondContact OG-CD2 3.45Å; S250-Y252 PolarHBondContact OG-N 2.99Å; Y252-D254 WeakPolarHBondContact CB-OD1 3.47Å; Y252-V255 HydrophobicContact CD2-CG2 4.23Å; Y252-V255 PolarHBondContact O-N 2.95Å; Y252-A256 PolarHBondContact O-N 3.21Å; Y252-R297 HydrophobicContact CE2-CB 4.2Å; Y252-R297 PolarHBondContact OH-O 3.32Å; Y252-Q301 HydrophobicContact CE2-CB 3.8Å; Y252-Q301 PolarHBondContact OH-N 3.08Å
253	E	97.9	Very high	97.2	Very high	85 Å²	85	28.5 Å²	28.5	40%	0.397	14%	0.138	S	C	.	.	H	α-helix	trans	-70.8	-32.9	-179.1	-67.7	-72.7	-171.5	0	0	112.8	A256 R257 T264 V265 R266	E253-A256 PolarHBondContact O-N 3.39Å; E253-R257 WeakPolarHBondContact O-CB 3.5Å; E253-R257 PolarHBondContact O-N 2.95Å; E253-T264 WeakPolarHBondContact OE2-CA 3.35Å; E253-T264 WeakPolarHBondContact OE2-CB 3.47Å; E253-V265 HydrophobicContact CG-CB 4.19Å; E253-V265 HydrophobicContact CG-CG2 4.08Å; E253-V265 WeakPolarHBondContact OE1-CA 3.48Å; E253-V265 WeakPolarHBondContact OE1-CB 3.06Å; E253-V265 PolarHBondContact OE1-N 3.02Å; E253-V265 PolarHBondContact OE2-N 2.92Å; E253-R266 PolarHBondContact OE1-N 3.05Å; E253-R266 VanDerWaalsContact OE1-N 3.17Å
254	D	98	Very high	97.1	Very high	49 Å²	49	31 Å²	31	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-61.5	-45.3	174.6	62.6	-31.6	0	0	0	110.8	Y252 R257 D258 R297	Y252-D254 WeakPolarHBondContact CB-OD1 3.47Å; D254-R257 PolarHBondContact O-N 2.92Å; D254-D258 WeakPolarHBondContact O-CB 3.18Å; D254-D258 PolarHBondContact O-N 2.98Å; D254-R297 IonicContact OD1-NH2 2.72Å; D254-R297 PolarHBondContact OD1-NH2 3.34Å; D254-R297 IonicContact OD2-CZ 2.84Å; D254-R297 IonicContact OD2-NH1 3.25Å; D254-R297 PolarHBondContact OD2-NH1 3.42Å; D254-R297 VanDerWaalsContact OD2-NH1 3.14Å; D254-R297 IonicContact OD2-NH2 3.84Å; D254-R297 PolarHBondContact OD2-NH2 3.22Å
255	V	97.6	Very high	97.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-44.2	178.3	-177.6	0	0	0	0	111.1	Y252 R257 D258 T259 L290 V293	Y252-V255 HydrophobicContact CD2-CG2 4.23Å; Y252-V255 PolarHBondContact O-N 2.95Å; V255-R257 VanDerWaalsContact C-N 3.3Å; V255-R257 PolarHBondContact O-N 3.42Å; V255-D258 PolarHBondContact O-N 2.72Å; V255-T259 HydrophobicContact CG1-CG2 4.15Å; V255-T259 WeakPolarHBondContact O-CB 3.46Å; V255-T259 WeakPolarHBondContact O-CG2 3.49Å; V255-T259 PolarHBondContact O-N 2.84Å; V255-T259 PolarHBondContact O-OG1 3.27Å; V255-L290 HydrophobicContact CG1-CB 4.15Å; V255-L290 HydrophobicContact CG1-CD1 3.79Å; V255-V293 HydrophobicContact CB-CG2 4.35Å; V255-V293 HydrophobicContact CG1-CG2 4.12Å; V255-V293 HydrophobicContact CG2-CG2 3.25Å
256	A	97.1	Very high	97	Very high	10 Å²	10	39.8 Å²	39.8	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-39.3	177.9	0	0	0	0	0	112.2	Y252 E253 R261	Y252-A256 PolarHBondContact O-N 3.21Å; E253-A256 PolarHBondContact O-N 3.39Å; A256-R261 HydrophobicContact CB-CB 4.29Å; A256-R261 WeakPolarHBondContact O-CB 3.06Å; A256-R261 PolarHBondContact O-N 3.38Å
257	R	96.8	Very high	97	Very high	170 Å²	170	40.9 Å²	40.9	64%	0.642	20%	0.199	S	C	*	.	H	α-helix	trans	-68.9	-54.5	175.5	-178.8	-168.5	64.7	-140.4	-7.8	111.7	E253 D254 V255 T259 N260	E253-R257 WeakPolarHBondContact O-CB 3.5Å; E253-R257 PolarHBondContact O-N 2.95Å; D254-R257 PolarHBondContact O-N 2.92Å; V255-R257 VanDerWaalsContact C-N 3.3Å; V255-R257 PolarHBondContact O-N 3.42Å; R257-T259 VanDerWaalsContact C-N 3.27Å; R257-T259 PolarHBondContact O-N 2.82Å; R257-N260 PolarHBondContact O-N 2.89Å
258	D	95.8	Very high	97	Very high	73 Å²	73	40.7 Å²	40.7	39%	0.39	20%	0.196	S	C	.	.	H	α-helix	trans	-69.3	-26.7	-170.6	-64.9	-2.7	0	0	0	112.2	D254 V255 N260 N292	D254-D258 WeakPolarHBondContact O-CB 3.18Å; D254-D258 PolarHBondContact O-N 2.98Å; V255-D258 PolarHBondContact O-N 2.72Å; D258-N260 VanDerWaalsContact C-N 3.29Å; D258-N292 PolarHBondContact OD2-ND2 3.35Å
259	T	96.8	Very high	97.1	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.9	174.3	62.7	0	0	0	0	114	C110 V111 Y112 V255 R257 R261	C110-T259 WeakPolarHBondContact CA-O 3.43Å; V111-T259 WeakPolarHBondContact CG2-O 3.48Å; V111-T259 PolarHBondContact N-O 2.99Å; Y112-T259 HydrophobicContact CD1-CG2 4.35Å; Y112-T259 HydrophobicContact CE1-CG2 4.29Å; V255-T259 HydrophobicContact CG1-CG2 4.15Å; V255-T259 WeakPolarHBondContact O-CB 3.46Å; V255-T259 WeakPolarHBondContact O-CG2 3.49Å; V255-T259 PolarHBondContact O-N 2.84Å; V255-T259 PolarHBondContact O-OG1 3.27Å; R257-T259 VanDerWaalsContact C-N 3.27Å; R257-T259 PolarHBondContact O-N 2.82Å; T259-R261 PolarHBondContact O-N 3.02Å
260	N	96.8	Very high	97	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	50.6	-177.4	-168.6	33.6	0	0	0	112.8	T106 N108 I109 C110 R257 D258 G262	T106-N260 WeakPolarHBondContact CB-OD1 3.29Å; T106-N260 WeakPolarHBondContact CG2-OD1 3.25Å; N108-N260 PolarHBondContact O-ND2 3Å; I109-N260 PolarHBondContact O-ND2 3.48Å; C110-N260 PolarHBondContact SG-O 3.25Å; R257-N260 PolarHBondContact O-N 2.89Å; D258-N260 VanDerWaalsContact C-N 3.29Å; N260-G262 VanDerWaalsContact C-N 3.32Å; N260-G262 PolarHBondContact O-N 2.87Å
261	R	95.4	Very high	97	Very high	25 Å²	25	45.6 Å²	45.6	9%	0.094	22%	0.221	C	C	.	.			trans	-71.7	-27.1	-175.2	-174.1	66	-163.5	124	1.2	113.2	C110 Y112 R224 G247 A256 T259 H263	C110-R261 PolarHBondContact SG-NH1 3.38Å; C110-R261 VanDerWaalsContact SG-NH1 3.39Å; Y112-R261 WeakPolarHBondContact OH-CD 3.32Å; R224-R261 PolarHBondContact NH2-O 2.79Å; R224-R261 VanDerWaalsContact NH2-O 3.1Å; G247-R261 PolarHBondContact O-NE 3.24Å; G247-R261 PolarHBondContact O-NH2 2.97Å; A256-R261 HydrophobicContact CB-CB 4.29Å; A256-R261 WeakPolarHBondContact O-CB 3.06Å; A256-R261 PolarHBondContact O-N 3.38Å; T259-R261 PolarHBondContact O-N 3.02Å; R261-H263 VanDerWaalsContact C-N 3.34Å; R261-H263 WeakPolarHBondContact CG-NE2 3.35Å; R261-H263 PolarHBondContact NE-NE2 3.17Å
262	G	94.4	Very high	97	Very high	20 Å²	20	45.2 Å²	45.2	21%	0.206	22%	0.219	C	C	.	.	S	Bend	trans	74.1	18.8	179.1	0	0	0	0	0	114.7	R224 N260	R224-G262 PolarHBondContact NH2-O 2.97Å; N260-G262 VanDerWaalsContact C-N 3.32Å; N260-G262 PolarHBondContact O-N 2.87Å
263	H	95.6	Very high	96.9	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.102	22%	0.22	C	C	.	.	S	Bend	trans	-151.9	163.4	168.2	66.4	74.9	0	0	0	109.9	P225 G247 R261	P225-H263 HydrophobicContact CG-CB 4.01Å; P225-H263 VanDerWaalsContact CG-CD2 3.41Å; P225-H263 WeakPolarHBondContact CG-CD2 3.48Å; P225-H263 WeakPolarHBondContact CG-ND1 3.41Å; G247-H263 PolarHBondContact O-NE2 2.95Å; R261-H263 VanDerWaalsContact C-N 3.34Å; R261-H263 WeakPolarHBondContact CG-NE2 3.35Å; R261-H263 PolarHBondContact NE-NE2 3.17Å
264	T	97.1	Very high	96.9	Very high	67 Å²	67	42.8 Å²	42.8	41%	0.411	21%	0.21	S	C	.	.			trans	-93.6	166.1	175.2	59	0	0	0	0	111.7	E253 R266 A267 V268	E253-T264 WeakPolarHBondContact OE2-CA 3.35Å; E253-T264 WeakPolarHBondContact OE2-CB 3.47Å; T264-R266 VanDerWaalsContact C-N 3.33Å; T264-A267 PolarHBondContact O-N 3.04Å; T264-A267 PolarHBondContact OG1-N 3.39Å; T264-A267 VanDerWaalsContact OG1-N 3.17Å; T264-V268 PolarHBondContact O-N 3.24Å
265	V	97.9	Very high	96.9	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-33.7	171.1	-179	0	0	0	0	110.4	V251 E253 A267 V268 C269 F311	V251-V265 WeakPolarHBondContact O-CG1 3.41Å; V251-V265 WeakPolarHBondContact O-CG2 3.42Å; E253-V265 HydrophobicContact CG-CB 4.19Å; E253-V265 HydrophobicContact CG-CG2 4.08Å; E253-V265 WeakPolarHBondContact OE1-CA 3.48Å; E253-V265 WeakPolarHBondContact OE1-CB 3.06Å; E253-V265 PolarHBondContact OE1-N 3.02Å; E253-V265 PolarHBondContact OE2-N 2.92Å; V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 PolarHBondContact O-N 3.19Å; V265-V268 VanDerWaalsContact O-CB 3.29Å; V265-V268 WeakPolarHBondContact O-CB 3.01Å; V265-V268 PolarHBondContact O-N 2.73Å; V265-V268 VanDerWaalsContact O-N 3.09Å; V265-C269 PolarHBondContact O-N 2.55Å; V265-C269 VanDerWaalsContact O-N 3.11Å; V265-C269 PolarHBondContact O-SG 3.45Å; V265-C269 VanDerWaalsContact O-SG 3.36Å; V265-F311 HydrophobicContact CG1-CE1 4.02Å; V265-F311 HydrophobicContact CG1-CZ 3.63Å
266	R	96.8	Very high	96.9	Very high	174 Å²	174	40.4 Å²	40.4	66%	0.657	20%	0.197	S	C	*	.	H	α-helix	trans	-55.2	-46.6	170.8	-176.4	178.2	-64	175.7	0.5	112.4	E253 T264 V268 C269 E270	E253-R266 PolarHBondContact OE1-N 3.05Å; E253-R266 VanDerWaalsContact OE1-N 3.17Å; T264-R266 VanDerWaalsContact C-N 3.33Å; R266-V268 PolarHBondContact O-N 2.79Å; R266-C269 PolarHBondContact O-N 2.93Å; R266-C269 VanDerWaalsContact O-N 3.09Å; R266-E270 WeakPolarHBondContact CG-OE1 3.45Å; R266-E270 PolarHBondContact O-N 3.49Å
267	A	97.1	Very high	96.9	Very high	23 Å²	23	40 Å²	40	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-32.8	178.1	0	0	0	0	0	112.3	T264 V265 S271	T264-A267 PolarHBondContact O-N 3.04Å; T264-A267 PolarHBondContact OG1-N 3.39Å; T264-A267 VanDerWaalsContact OG1-N 3.17Å; V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 PolarHBondContact O-N 3.19Å; A267-S271 WeakPolarHBondContact O-CB 3.43Å; A267-S271 PolarHBondContact O-N 3.1Å; A267-S271 PolarHBondContact O-OG 2.97Å
268	V	98.1	Very high	96.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-51.5	171.9	171.9	0	0	0	0	110.6	P225 V248 T264 V265 R266 E270 S271 F272 F311	P225-V268 HydrophobicContact CB-CB 4.49Å; P225-V268 HydrophobicContact CB-CG2 3.96Å; P225-V268 HydrophobicContact CG-CG2 3.76Å; V248-V268 HydrophobicContact CB-CG1 4.26Å; V248-V268 HydrophobicContact CG1-CG1 3.95Å; V248-V268 HydrophobicContact CG1-CG2 4.3Å; V248-V268 HydrophobicContact CG2-CG1 3.45Å; V248-V268 VanDerWaalsContact CG2-CG1 3.45Å; V248-V268 HydrophobicContact CG2-CG2 4.29Å; T264-V268 PolarHBondContact O-N 3.24Å; V265-V268 VanDerWaalsContact O-CB 3.29Å; V265-V268 WeakPolarHBondContact O-CB 3.01Å; V265-V268 PolarHBondContact O-N 2.73Å; V265-V268 VanDerWaalsContact O-N 3.09Å; R266-V268 PolarHBondContact O-N 2.79Å; V268-E270 VanDerWaalsContact C-N 3.31Å; V268-E270 PolarHBondContact O-N 3.25Å; V268-S271 PolarHBondContact O-N 3.36Å; V268-S271 VanDerWaalsContact O-N 3.14Å; V268-S271 PolarHBondContact O-OG 2.81Å; V268-F272 HydrophobicContact CG1-CD1 4.08Å; V268-F272 HydrophobicContact CG1-CE1 3.75Å; V268-F272 HydrophobicContact CG1-CZ 4Å; V268-F272 WeakPolarHBondContact O-CD1 3.24Å; V268-F272 PolarHBondContact O-N 3.39Å; V268-F311 HydrophobicContact CG1-CD1 4.42Å; V268-F311 HydrophobicContact CG1-CE1 4.2Å
269	C	97.9	Very high	97	Very high	25 Å²	25	28.5 Å²	28.5	17%	0.169	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-41.3	-177.9	-60.2	0	0	0	0	112.1	V265 R266 F272 Q273 A310 F311 N431	V265-C269 PolarHBondContact O-N 2.55Å; V265-C269 VanDerWaalsContact O-N 3.11Å; V265-C269 PolarHBondContact O-SG 3.45Å; V265-C269 VanDerWaalsContact O-SG 3.36Å; R266-C269 PolarHBondContact O-N 2.93Å; R266-C269 VanDerWaalsContact O-N 3.09Å; C269-F272 PolarHBondContact O-N 3.3Å; C269-Q273 PolarHBondContact O-N 3.4Å; C269-Q273 VanDerWaalsContact O-N 3.1Å; C269-A310 HydrophobicContact CB-CB 4.24Å; C269-F311 VanDerWaalsContact SG-CE1 3.57Å; C269-N431 PolarHBondContact O-ND2 2.93Å
270	E	96.6	Very high	97.1	Very high	103 Å²	103	28.2 Å²	28.2	48%	0.481	14%	0.143	S	C	.	.	H	α-helix	trans	-64.9	-43	175	-69.9	173.6	-171.6	0	0	111.7	R266 V268 F272 Q273 L274	R266-E270 WeakPolarHBondContact CG-OE1 3.45Å; R266-E270 PolarHBondContact O-N 3.49Å; V268-E270 VanDerWaalsContact C-N 3.31Å; V268-E270 PolarHBondContact O-N 3.25Å; E270-F272 VanDerWaalsContact C-N 3.32Å; E270-F272 PolarHBondContact O-N 3.02Å; E270-Q273 WeakPolarHBondContact O-CB 3.48Å; E270-Q273 PolarHBondContact O-N 3.39Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 3.44Å
271	S	97.4	Very high	97.2	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-37.8	177	73.8	0	0	0	0	112.5	A267 V268 A275	A267-S271 WeakPolarHBondContact O-CB 3.43Å; A267-S271 PolarHBondContact O-N 3.1Å; A267-S271 PolarHBondContact O-OG 2.97Å; V268-S271 PolarHBondContact O-N 3.36Å; V268-S271 VanDerWaalsContact O-N 3.14Å; V268-S271 PolarHBondContact O-OG 2.81Å; S271-A275 WeakPolarHBondContact O-CB 3.42Å; S271-A275 PolarHBondContact O-N 3.24Å
272	F	98.1	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-44.7	176	-82.2	23.8	0	0	0	110.6	I246 V248 V268 C269 E270 A275 K276 V282 A284 F311 P313 N431	I246-F272 HydrophobicContact CB-CE1 3.98Å; I246-F272 HydrophobicContact CD1-CD1 3.7Å; I246-F272 HydrophobicContact CD1-CE1 3.74Å; I246-F272 HydrophobicContact CG1-CE1 4.41Å; I246-F272 HydrophobicContact CG2-CE1 4.09Å; V248-F272 HydrophobicContact CG2-CE1 3.96Å; V248-F272 HydrophobicContact CG2-CZ 3.71Å; V268-F272 HydrophobicContact CG1-CD1 4.08Å; V268-F272 HydrophobicContact CG1-CE1 3.75Å; V268-F272 HydrophobicContact CG1-CZ 4Å; V268-F272 WeakPolarHBondContact O-CD1 3.24Å; V268-F272 PolarHBondContact O-N 3.39Å; C269-F272 PolarHBondContact O-N 3.3Å; E270-F272 VanDerWaalsContact C-N 3.32Å; E270-F272 PolarHBondContact O-N 3.02Å; F272-A275 PolarHBondContact O-N 3.4Å; F272-K276 WeakPolarHBondContact O-CB 3.45Å; F272-K276 VanDerWaalsContact O-CG 3.27Å; F272-K276 WeakPolarHBondContact O-CG 3.39Å; F272-K276 PolarHBondContact O-N 3.24Å; F272-V282 HydrophobicContact CD1-CG1 3.68Å; F272-V282 HydrophobicContact CD2-CG1 4.29Å; F272-V282 HydrophobicContact CE1-CG1 3.69Å; F272-V282 HydrophobicContact CE2-CG1 4.3Å; F272-V282 HydrophobicContact CG-CG1 3.99Å; F272-V282 HydrophobicContact CZ-CG1 4Å; F272-A284 HydrophobicContact CZ-CB 3.97Å; F272-F311 WeakPolarHBondContact CD2-O 3.29Å; F272-F311 HydrophobicContact CE2-CB 4.36Å; F272-F311 HydrophobicContact CE2-CD1 4.25Å; F272-P313 HydrophobicContact CE2-CB 4.19Å; F272-N431 WeakPolarHBondContact CB-ND2 3.42Å
273	Q	96.7	Very high	97.6	Very high	41 Å²	41	24.7 Å²	24.7	19%	0.192	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-54.7	176.4	-172.5	179.4	-1.8	0	0	111.7	C269 E270 A275 K276 D277 N431	C269-Q273 PolarHBondContact O-N 3.4Å; C269-Q273 VanDerWaalsContact O-N 3.1Å; E270-Q273 WeakPolarHBondContact O-CB 3.48Å; E270-Q273 PolarHBondContact O-N 3.39Å; Q273-A275 VanDerWaalsContact C-N 3.28Å; Q273-A275 PolarHBondContact O-N 3.06Å; Q273-K276 PolarHBondContact O-N 2.99Å; Q273-D277 WeakPolarHBondContact O-CB 3.27Å; Q273-D277 PolarHBondContact O-N 2.96Å; Q273-N431 HydrophobicContact CB-CB 3.78Å; Q273-N431 HydrophobicContact CG-CB 4.06Å; Q273-N431 WeakPolarHBondContact CG-O 3.49Å
274	L	97.2	Very high	97.7	Very high	36 Å²	36	23.7 Å²	23.7	19%	0.188	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-40.6	-178.9	-69.9	172.8	0	0	0	111.9	K230 L233 E270 A278 F462	K230-L274 HydrophobicContact CG-CD2 4.24Å; L233-L274 HydrophobicContact CD1-CB 3.56Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 3.44Å; L274-A278 WeakPolarHBondContact O-CB 3.41Å; L274-A278 PolarHBondContact O-N 3.17Å; L274-A278 VanDerWaalsContact O-N 3.09Å; L274-F462 HydrophobicContact CD2-CD1 4.17Å
275	A	98.1	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.1	-46.7	177.9	0	0	0	0	0	112.2	L233 L244 S271 F272 Q273 A278 G279 F280 V282	L233-A275 HydrophobicContact CD2-CB 4.4Å; L244-A275 HydrophobicContact CD1-CB 3.78Å; S271-A275 WeakPolarHBondContact O-CB 3.42Å; S271-A275 PolarHBondContact O-N 3.24Å; F272-A275 PolarHBondContact O-N 3.4Å; Q273-A275 VanDerWaalsContact C-N 3.28Å; Q273-A275 PolarHBondContact O-N 3.06Å; A275-A278 CarbonylContact O-C 3.52Å; A275-A278 PolarHBondContact O-N 2.85Å; A275-G279 PolarHBondContact O-N 2.96Å; A275-F280 HydrophobicContact CB-CB 4.31Å; A275-F280 WeakPolarHBondContact O-CB 3.38Å; A275-F280 PolarHBondContact O-N 2.89Å; A275-V282 HydrophobicContact CB-CG2 3.62Å
276	K	98.1	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.1	-40.8	178.4	-71.9	-174.9	177.2	169.7	0	112.1	F272 Q273 A278 G279 V282 F311 R312 A430 N431 R455	F272-K276 WeakPolarHBondContact O-CB 3.45Å; F272-K276 VanDerWaalsContact O-CG 3.27Å; F272-K276 WeakPolarHBondContact O-CG 3.39Å; F272-K276 PolarHBondContact O-N 3.24Å; Q273-K276 PolarHBondContact O-N 2.99Å; K276-A278 PolarHBondContact O-N 3.1Å; K276-G279 WeakPolarHBondContact O-CA 3.35Å; K276-G279 PolarHBondContact O-N 2.91Å; K276-V282 HydrophobicContact CG-CG2 3.92Å; K276-F311 PolarHBondContact NZ-O 2.74Å; K276-R312 PolarHBondContact NZ-O 3.38Å; K276-A430 HydrophobicContact CD-CB 4.47Å; K276-A430 VanDerWaalsContact NZ-CB 3.31Å; K276-N431 HydrophobicContact CD-CB 4.46Å; K276-N431 WeakPolarHBondContact CD-OD1 3.37Å; K276-N431 WeakPolarHBondContact CE-OD1 3.31Å; K276-N431 PolarHBondContact NZ-OD1 3Å; K276-R455 WeakPolarHBondContact O-CD 3.25Å
277	D	96.3	Very high	97.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.011	7%	0.069	C	C	.	.	H	α-helix	trans	-71.3	-16.9	177	-76.1	-19.4	0	0	0	113.7	Q273 R455 S458 S461 L466	Q273-D277 WeakPolarHBondContact O-CB 3.27Å; Q273-D277 PolarHBondContact O-N 2.96Å; D277-R455 IonicContact OD1-CZ 3.28Å; D277-R455 IonicContact OD1-NE 3.84Å; D277-R455 PolarHBondContact OD1-NE 2.82Å; D277-R455 IonicContact OD1-NH2 3.45Å; D277-R455 PolarHBondContact OD1-NH2 2.93Å; D277-R455 IonicContact OD2-NH2 3.35Å; D277-S458 VanDerWaalsContact CG-OG 3.27Å; D277-S458 WeakPolarHBondContact OD2-CB 3.15Å; D277-S458 PolarHBondContact OD2-OG 3.06Å; D277-S461 PolarHBondContact O-OG 3.34Å; D277-L466 WeakPolarHBondContact O-CD1 3.21Å
278	A	97.6	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.1	167.2	0	0	0	0	0	112.9	L274 A275 K276 F280 F462 Y542	L274-A278 WeakPolarHBondContact O-CB 3.41Å; L274-A278 PolarHBondContact O-N 3.17Å; L274-A278 VanDerWaalsContact O-N 3.09Å; A275-A278 CarbonylContact O-C 3.52Å; A275-A278 PolarHBondContact O-N 2.85Å; K276-A278 PolarHBondContact O-N 3.1Å; A278-F280 HydrophobicContact CB-CD2 3.9Å; A278-F280 HydrophobicContact CB-CE2 3.99Å; A278-F462 HydrophobicContact CB-CE1 4.08Å; A278-F462 HydrophobicContact CB-CZ 4.36Å; A278-Y542 PolarHBondContact O-OH 3.45Å
279	G	97.9	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-8.8	175.2	0	0	0	0	0	116	A275 K276 I472 R474 I522	A275-G279 PolarHBondContact O-N 2.96Å; K276-G279 WeakPolarHBondContact O-CA 3.35Å; K276-G279 PolarHBondContact O-N 2.91Å; G279-I472 VanDerWaalsContact CA-CD1 3.43Å; G279-R474 WeakPolarHBondContact O-CA 3.18Å; G279-R474 VanDerWaalsContact O-CB 3.31Å; G279-R474 WeakPolarHBondContact O-CB 3.43Å; G279-R474 WeakPolarHBondContact O-CG 3.47Å; G279-I522 WeakPolarHBondContact O-CG2 3.37Å
280	F	98.7	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.			trans	-61.4	144.1	-176.1	-70.4	-78.5	0	0	0	112.4	L233 M236 L237 C241 L244 A275 A278 R474 I522	L233-F280 HydrophobicContact CB-CE2 4.2Å; L233-F280 HydrophobicContact CD2-CD2 4.17Å; L233-F280 HydrophobicContact CD2-CE2 3.93Å; M236-F280 HydrophobicContact CB-CE1 4.22Å; M236-F280 HydrophobicContact CB-CZ 3.8Å; L237-F280 HydrophobicContact CB-CZ 4.47Å; L237-F280 HydrophobicContact CD1-CE2 4.45Å; L237-F280 HydrophobicContact CD2-CE1 4.06Å; L237-F280 HydrophobicContact CD2-CE2 3.86Å; L237-F280 HydrophobicContact CD2-CZ 3.51Å; L237-F280 HydrophobicContact CG-CE1 4.48Å; L237-F280 HydrophobicContact CG-CE2 3.84Å; L237-F280 HydrophobicContact CG-CZ 3.54Å; C241-F280 HydrophobicContact CB-CE1 3.93Å; C241-F280 WeakPolarHBondContact O-CE1 3.39Å; L244-F280 HydrophobicContact CD1-CB 4.14Å; L244-F280 HydrophobicContact CD1-CD1 4.28Å; L244-F280 HydrophobicContact CD1-CD2 3.99Å; L244-F280 HydrophobicContact CD1-CE2 4.44Å; L244-F280 HydrophobicContact CD1-CG 3.88Å; L244-F280 HydrophobicContact CD2-CD1 4Å; L244-F280 HydrophobicContact CD2-CE1 4.1Å; L244-F280 HydrophobicContact CD2-CG 4.43Å; L244-F280 HydrophobicContact CG-CB 4.01Å; L244-F280 HydrophobicContact CG-CD1 3.84Å; L244-F280 HydrophobicContact CG-CD2 4.42Å; L244-F280 HydrophobicContact CG-CE1 4.39Å; L244-F280 HydrophobicContact CG-CG 3.84Å; A275-F280 HydrophobicContact CB-CB 4.31Å; A275-F280 WeakPolarHBondContact O-CB 3.38Å; A275-F280 PolarHBondContact O-N 2.89Å; A278-F280 HydrophobicContact CB-CD2 3.9Å; A278-F280 HydrophobicContact CB-CE2 3.99Å; F280-R474 PolarHBondContact O-NE 3.08Å; F280-R474 PolarHBondContact O-NH2 3.03Å; F280-I522 HydrophobicContact CD1-CD1 3.8Å; F280-I522 HydrophobicContact CE1-CD1 4.09Å; F280-I522 HydrophobicContact CG-CD1 4.12Å
281	K	98.5	Very high	97.8	Very high	9 Å²	9	6.9 Å²	6.9	4%	0.039	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.4	159	-175.7	171.1	-174.5	172.6	0	109.4	T242 R243 L244 D314 Y364 E475	T242-K281 PolarHBondContact O-N 3.48Å; T242-K281 VanDerWaalsContact O-N 3.09Å; R243-K281 CarbonylContact C-O 3.51Å; R243-K281 WeakPolarHBondContact CA-O 3.43Å; R243-K281 HydrophobicContact CB-CB 4.17Å; R243-K281 HydrophobicContact CG-CB 4Å; R243-K281 HydrophobicContact CG-CD 4.32Å; R243-K281 HydrophobicContact CG-CG 4.09Å; L244-K281 PolarHBondContact N-O 3.17Å; K281-D314 HydrophobicContact CD-CB 4.4Å; K281-D314 HydrophobicContact CG-CB 3.71Å; K281-Y364 WeakPolarHBondContact CE-OH 2.9Å; K281-Y364 PolarHBondContact NZ-OH 3.1Å; K281-E475 WeakPolarHBondContact CD-OE2 3.34Å; K281-E475 VanDerWaalsContact CE-OE2 3.28Å; K281-E475 WeakPolarHBondContact CE-OE2 3.47Å; K281-E475 IonicContact NZ-OE1 3.32Å; K281-E475 PolarHBondContact NZ-OE1 3.34Å; K281-E475 IonicContact NZ-OE2 2.9Å; K281-E475 PolarHBondContact NZ-OE2 3.1Å
282	V	98.6	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	-177.2	-179.2	0	0	0	0	109.8	I246 F272 A275 K276 D314 G315	I246-V282 HydrophobicContact CD1-CG1 4.19Å; F272-V282 HydrophobicContact CD1-CG1 3.68Å; F272-V282 HydrophobicContact CD2-CG1 4.29Å; F272-V282 HydrophobicContact CE1-CG1 3.69Å; F272-V282 HydrophobicContact CE2-CG1 4.3Å; F272-V282 HydrophobicContact CG-CG1 3.99Å; F272-V282 HydrophobicContact CZ-CG1 4Å; A275-V282 HydrophobicContact CB-CG2 3.62Å; K276-V282 HydrophobicContact CG-CG2 3.92Å; V282-D314 PolarHBondContact N-OD2 3.43Å; V282-D314 WeakPolarHBondContact O-CB 3.3Å; V282-D314 PolarHBondContact O-N 2.76Å; V282-G315 PolarHBondContact O-N 3.39Å
283	V	98.7	Very high	97.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.7	175.9	173.3	0	0	0	0	108.6	R243 L244 E245 I246 G315 K317 Y364	R243-V283 HydrophobicContact CG-CG2 4.09Å; L244-V283 PolarHBondContact O-N 3.21Å; E245-V283 CarbonylContact C-O 3.59Å; E245-V283 VanDerWaalsContact CA-O 3.3Å; E245-V283 WeakPolarHBondContact CA-O 3.14Å; E245-V283 HydrophobicContact CG-CB 3.85Å; E245-V283 HydrophobicContact CG-CG1 4Å; I246-V283 PolarHBondContact N-O 3.28Å; V283-G315 WeakPolarHBondContact CA-O 3.48Å; V283-K317 HydrophobicContact CG1-CG 4.24Å; V283-Y364 HydrophobicContact CG1-CD2 4.08Å; V283-Y364 HydrophobicContact CG1-CE2 4.17Å; V283-Y364 HydrophobicContact CG2-CD2 4.3Å; V283-Y364 HydrophobicContact CG2-CE2 3.56Å
284	A	98.3	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.8	176.2	0	0	0	0	0	110.9	I246 V248 F272 M286 F305 P313 G315 L316 K317	I246-A284 WeakPolarHBondContact O-CA 3.2Å; V248-A284 HydrophobicContact CG2-CB 3.91Å; F272-A284 HydrophobicContact CZ-CB 3.97Å; A284-M286 HydrophobicContact CB-CG 4.43Å; A284-F305 HydrophobicContact CB-CE2 3.82Å; A284-F305 HydrophobicContact CB-CZ 3.52Å; A284-P313 HydrophobicContact CB-CB 4.45Å; A284-P313 HydrophobicContact CB-CG 4.36Å; A284-G315 PolarHBondContact N-O 3.17Å; A284-L316 WeakPolarHBondContact O-CA 3.34Å; A284-K317 PolarHBondContact O-N 3.46Å
285	H	97.9	Very high	97.4	Very high	21 Å²	21	13.3 Å²	13.3	10%	0.097	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.7	159.6	-57.3	-175	0	0	0	107.7	E245 I246 V248 Q249 K317 Y319	E245-H285 IonicContact OE2-CD2 2.73Å; E245-H285 IonicContact OE2-CE1 3.57Å; E245-H285 IonicContact OE2-NE2 3.88Å; E245-H285 PolarHBondContact OE2-NE2 3.48Å; I246-H285 PolarHBondContact O-N 2.88Å; V248-H285 PolarHBondContact N-O 2.99Å; Q249-H285 PolarHBondContact N-O 3.21Å; Q249-H285 PolarHBondContact OE1-O 3.28Å; H285-K317 WeakPolarHBondContact CA-O 3.41Å; H285-Y319 HydrophobicContact CB-CD2 4.33Å; H285-Y319 HydrophobicContact CB-CE2 4.42Å; H285-Y319 AromaticContact ND1-CE2 3.77Å
286	M	98.4	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.7	175.8	-60.8	-64.2	-71	0	0	109.6	V248 V251 A284 Q301 F302 F305 L316 K317 Y319	V248-M286 HydrophobicContact CB-SD 3.72Å; V248-M286 HydrophobicContact CG1-CE 4.48Å; V248-M286 HydrophobicContact CG1-SD 3.65Å; V251-M286 HydrophobicContact CG1-CE 3.94Å; A284-M286 HydrophobicContact CB-CG 4.43Å; M286-Q301 HydrophobicContact CE-CG 3.94Å; M286-F302 HydrophobicContact CB-CE1 3.61Å; M286-F302 HydrophobicContact CB-CZ 3.78Å; M286-F302 HydrophobicContact CE-CE1 4.47Å; M286-F302 HydrophobicContact CG-CE1 3.97Å; M286-F305 HydrophobicContact CE-CD2 3.97Å; M286-F305 HydrophobicContact CE-CE2 4.25Å; M286-F305 HydrophobicContact CE-CG 4.32Å; M286-F305 HydrophobicContact CG-CD2 4.44Å; M286-F305 HydrophobicContact CG-CE1 4.11Å; M286-F305 HydrophobicContact CG-CE2 3.92Å; M286-F305 HydrophobicContact CG-CZ 3.68Å; M286-F305 HydrophobicContact SD-CD2 3.95Å; M286-F305 HydrophobicContact SD-CE2 3.6Å; M286-F305 VanDerWaalsContact SD-CE2 3.6Å; M286-F305 HydrophobicContact SD-CZ 4.02Å; M286-L316 HydrophobicContact CB-CD1 3.72Å; M286-L316 HydrophobicContact CG-CD1 3.5Å; M286-L316 VanDerWaalsContact CG-CD1 3.5Å; M286-K317 PolarHBondContact N-O 2.67Å; M286-Y319 PolarHBondContact O-N 3.09Å
287	M	97.9	Very high	97.4	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.059	12%	0.123	C	C	.	.			trans	-125.8	109.4	-177.4	-66.3	179.1	62.2	0	0	110	Y112 Q249 L290 Y319 T321	Y112-M287 HydrophobicContact CD2-CE 3.7Å; Y112-M287 HydrophobicContact CD2-SD 3.95Å; Y112-M287 HydrophobicContact CE2-CE 4.08Å; Y112-M287 HydrophobicContact CE2-SD 3.68Å; Y112-M287 HydrophobicContact CG-CE 4.03Å; Q249-M287 HydrophobicContact CB-CB 4.39Å; Q249-M287 HydrophobicContact CB-CG 4.3Å; Q249-M287 HydrophobicContact CB-SD 4.26Å; Q249-M287 HydrophobicContact CG-SD 4.18Å; Q249-M287 PolarHBondContact O-N 3.38Å; Q249-M287 VanDerWaalsContact OE1-CG 3.26Å; Q249-M287 PolarHBondContact OE1-SD 3.06Å; M287-L290 HydrophobicContact CB-CD1 4.05Å; M287-L290 HydrophobicContact CB-CD2 4.19Å; M287-L290 HydrophobicContact CB-CG 3.98Å; M287-L290 HydrophobicContact CE-CD2 4.01Å; M287-Y319 VanDerWaalsContact CA-O 3.28Å; M287-Y319 WeakPolarHBondContact CA-O 3.22Å; M287-Y319 WeakPolarHBondContact CB-O 3.49Å; M287-Y319 VanDerWaalsContact CG-O 3.28Å; M287-Y319 WeakPolarHBondContact CG-O 3.21Å; M287-T321 HydrophobicContact CE-CG2 4.43Å
288	P	97.8	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-75.7	168	165	30.1	-31.6	0	0	0	111.2	L290 D298 F302 L318 P320 T321 L349	P288-L290 VanDerWaalsContact C-N 3.28Å; P288-L290 PolarHBondContact O-N 3.32Å; P288-D298 WeakPolarHBondContact CA-OD1 3.47Å; P288-F302 HydrophobicContact CB-CE2 4.25Å; P288-L318 HydrophobicContact CG-CD1 4.07Å; P288-P320 HydrophobicContact CG-CB 4.22Å; P288-P320 HydrophobicContact CG-CG 4.13Å; P288-T321 PolarHBondContact O-N 3.46Å; P288-T321 VanDerWaalsContact O-N 3.09Å; P288-T321 PolarHBondContact O-OG1 3.37Å; P288-L349 HydrophobicContact CB-CD2 3.89Å
289	D	97.4	Very high	97.5	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.027	13%	0.132	C	C	.	.	S	Bend	trans	62.6	32.6	179.5	-159.8	27.6	0	0	0	112.3	D298 T321 Y338 S340 Y341	D289-D298 PolarHBondContact N-OD2 3.13Å; D289-T321 WeakPolarHBondContact O-CB 3.35Å; D289-T321 PolarHBondContact O-OG1 2.92Å; D289-Y338 PolarHBondContact O-OH 3.22Å; D289-Y338 PolarHBondContact OD2-OH 2.86Å; D289-S340 VanDerWaalsContact OD2-CA 3.3Å; D289-S340 WeakPolarHBondContact OD2-CA 3.31Å; D289-S340 WeakPolarHBondContact OD2-CB 3.48Å; D289-Y341 HydrophobicContact CB-CD2 3.68Å; D289-Y341 HydrophobicContact CB-CE2 3.62Å; D289-Y341 HydrophobicContact CB-CG 4.3Å; D289-Y341 WeakPolarHBondContact OD1-CD1 3.46Å; D289-Y341 WeakPolarHBondContact OD1-CE1 3.41Å; D289-Y341 PolarHBondContact OD1-N 3.18Å; D289-Y341 PolarHBondContact OD2-N 2.85Å
290	L	97.8	Very high	97.5	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.153	C	C	.	.			trans	-74.9	153.6	173.1	-78.5	173.6	0	0	0	110.6	Y112 Q249 V255 M287 P288 N292 V293	Y112-L290 HydrophobicContact CD1-CD2 3.68Å; Y112-L290 HydrophobicContact CE1-CD2 3.96Å; Y112-L290 HydrophobicContact CG-CD2 4.29Å; Q249-L290 HydrophobicContact CB-CD1 4.29Å; V255-L290 HydrophobicContact CG1-CB 4.15Å; V255-L290 HydrophobicContact CG1-CD1 3.79Å; M287-L290 HydrophobicContact CB-CD1 4.05Å; M287-L290 HydrophobicContact CB-CD2 4.19Å; M287-L290 HydrophobicContact CB-CG 3.98Å; M287-L290 HydrophobicContact CE-CD2 4.01Å; P288-L290 VanDerWaalsContact C-N 3.28Å; P288-L290 PolarHBondContact O-N 3.32Å; L290-N292 PolarHBondContact O-N 3.19Å; L290-V293 HydrophobicContact CB-CG2 4.2Å; L290-V293 PolarHBondContact O-N 3.26Å; L290-V293 VanDerWaalsContact O-N 3.1Å
291	P	96.6	Very high	97.5	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.084	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	139.6	174.2	-26.9	35.4	0	0	0	112.3	V293 L329 Y338	P291-V293 PolarHBondContact O-N 3.3Å; P291-L329 HydrophobicContact CG-CD1 3.43Å; P291-L329 VanDerWaalsContact CG-CD1 3.43Å; P291-Y338 HydrophobicContact CB-CD2 4.28Å; P291-Y338 HydrophobicContact CG-CD2 4.01Å; P291-Y338 HydrophobicContact CG-CE2 4.2Å
292	N	93.8	Very high	97.5	Very high	107 Å²	107	29 Å²	29	57%	0.572	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	8.8	-179.1	-50.7	-29.5	0	0	0	115.3	D258 L290 R297	D258-N292 PolarHBondContact OD2-ND2 3.35Å; L290-N292 PolarHBondContact O-N 3.19Å; N292-R297 PolarHBondContact O-NH1 3.15Å
293	V	95.6	Very high	97.5	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	17%	0.165	C	C	.	.			trans	-110.2	115.7	172.3	-172.2	0	0	0	0	109	V255 L290 P291 R297 Y341	V255-V293 HydrophobicContact CB-CG2 4.35Å; V255-V293 HydrophobicContact CG1-CG2 4.12Å; V255-V293 HydrophobicContact CG2-CG2 3.25Å; L290-V293 HydrophobicContact CB-CG2 4.2Å; L290-V293 PolarHBondContact O-N 3.26Å; L290-V293 VanDerWaalsContact O-N 3.1Å; P291-V293 PolarHBondContact O-N 3.3Å; V293-R297 HydrophobicContact CG1-CB 3.7Å; V293-Y341 PolarHBondContact O-OH 2.91Å
294	G	95.4	Very high	97.5	Very high	37 Å²	37	35 Å²	35	38%	0.381	18%	0.18	S	C	.	.			trans	-86.3	173	175.3	0	0	0	0	0	112.8	E296 R297 D298 Y341	G294-E296 VanDerWaalsContact C-N 3.35Å; G294-E296 PolarHBondContact O-N 3.44Å; G294-R297 WeakPolarHBondContact O-CB 3.29Å; G294-R297 PolarHBondContact O-N 3.47Å; G294-R297 VanDerWaalsContact O-N 3.17Å; G294-D298 PolarHBondContact O-N 2.86Å; G294-Y341 PolarHBondContact O-OH 3.29Å
295	M	96.2	Very high	97.5	Very high	62 Å²	62	35 Å²	35	31%	0.305	18%	0.18	S	C	.	.	H	α-helix	trans	-56.2	-43.8	-175.2	-175.3	66.8	64.7	0	0	113.6	D298 V299 Y341 A345 L349	M295-D298 PolarHBondContact O-N 2.75Å; M295-V299 PolarHBondContact O-N 3.4Å; M295-Y341 WeakPolarHBondContact CA-OH 3.24Å; M295-Y341 HydrophobicContact CE-CD1 3.9Å; M295-Y341 HydrophobicContact CE-CD2 3.71Å; M295-Y341 HydrophobicContact CE-CE1 3.99Å; M295-Y341 HydrophobicContact CE-CE2 3.82Å; M295-Y341 HydrophobicContact CE-CG 3.77Å; M295-Y341 PolarHBondContact N-OH 3.44Å; M295-Y341 VanDerWaalsContact N-OH 3.11Å; M295-Y341 HydrophobicContact SD-CE2 4.28Å; M295-A345 HydrophobicContact CE-CB 3.78Å; M295-L349 HydrophobicContact SD-CB 3.76Å; M295-L349 HydrophobicContact SD-CD1 3.95Å; M295-L349 HydrophobicContact SD-CD2 3.87Å; M295-L349 HydrophobicContact SD-CG 4.05Å
296	E	97.1	Very high	97.5	Very high	151 Å²	151	34.7 Å²	34.7	71%	0.706	18%	0.178	S	C	*	.	H	α-helix	trans	-64	-48.7	178.4	-66.5	177.7	171.3	0	0	110.6	G294 D298 V299 E300	G294-E296 VanDerWaalsContact C-N 3.35Å; G294-E296 PolarHBondContact O-N 3.44Å; E296-D298 VanDerWaalsContact C-N 3.25Å; E296-D298 PolarHBondContact O-N 3.11Å; E296-V299 WeakPolarHBondContact O-CA 3.18Å; E296-V299 WeakPolarHBondContact O-CB 3.21Å; E296-V299 PolarHBondContact O-N 2.81Å; E296-E300 VanDerWaalsContact C-OE2 3.23Å; E296-E300 PolarHBondContact O-N 2.86Å; E296-E300 VanDerWaalsContact O-OE2 3.14Å
297	R	97.9	Very high	97.5	Very high	65 Å²	65	40.7 Å²	40.7	25%	0.245	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-36.1	175.2	-70.2	-174.9	64.9	179.5	10.1	112.8	Y252 D254 N292 V293 G294 E300 Q301	Y252-R297 HydrophobicContact CE2-CB 4.2Å; Y252-R297 PolarHBondContact OH-O 3.32Å; D254-R297 IonicContact OD1-NH2 2.72Å; D254-R297 PolarHBondContact OD1-NH2 3.34Å; D254-R297 IonicContact OD2-CZ 2.84Å; D254-R297 IonicContact OD2-NH1 3.25Å; D254-R297 PolarHBondContact OD2-NH1 3.42Å; D254-R297 VanDerWaalsContact OD2-NH1 3.14Å; D254-R297 IonicContact OD2-NH2 3.84Å; D254-R297 PolarHBondContact OD2-NH2 3.22Å; N292-R297 PolarHBondContact O-NH1 3.15Å; V293-R297 HydrophobicContact CG1-CB 3.7Å; G294-R297 WeakPolarHBondContact O-CB 3.29Å; G294-R297 PolarHBondContact O-N 3.47Å; G294-R297 VanDerWaalsContact O-N 3.17Å; R297-E300 VanDerWaalsContact CA-OE2 3.26Å; R297-E300 WeakPolarHBondContact CA-OE2 3.45Å; R297-E300 PolarHBondContact N-OE2 2.93Å; R297-Q301 WeakPolarHBondContact O-CB 3.41Å; R297-Q301 PolarHBondContact O-N 3.28Å
298	D	98.3	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-41.9	174.8	-90.1	-40	0	0	0	111.4	P288 D289 G294 M295 E296 Q301 F302 Y341 L349	P288-D298 WeakPolarHBondContact CA-OD1 3.47Å; D289-D298 PolarHBondContact N-OD2 3.13Å; G294-D298 PolarHBondContact O-N 2.86Å; M295-D298 PolarHBondContact O-N 2.75Å; E296-D298 VanDerWaalsContact C-N 3.25Å; E296-D298 PolarHBondContact O-N 3.11Å; D298-Q301 WeakPolarHBondContact O-CB 3.22Å; D298-Q301 PolarHBondContact O-N 3.05Å; D298-F302 WeakPolarHBondContact O-CD2 3.49Å; D298-F302 PolarHBondContact O-N 3.01Å; D298-Y341 VanDerWaalsContact OD2-CE2 3.29Å; D298-Y341 WeakPolarHBondContact OD2-CE2 3.48Å; D298-Y341 PolarHBondContact OD2-OH 2.92Å; D298-L349 HydrophobicContact CB-CD1 4.06Å; D298-L349 HydrophobicContact CB-CD2 3.92Å
299	V	97.9	Very high	97.5	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-49.7	176.3	176.6	0	0	0	0	110.6	M295 E296 Q301 F302 I303 L349	M295-V299 PolarHBondContact O-N 3.4Å; E296-V299 WeakPolarHBondContact O-CA 3.18Å; E296-V299 WeakPolarHBondContact O-CB 3.21Å; E296-V299 PolarHBondContact O-N 2.81Å; V299-Q301 VanDerWaalsContact C-N 3.3Å; V299-Q301 PolarHBondContact O-N 2.78Å; V299-F302 PolarHBondContact O-N 2.85Å; V299-F302 VanDerWaalsContact O-N 3.14Å; V299-I303 HydrophobicContact CG1-CD1 3.96Å; V299-I303 WeakPolarHBondContact O-CG1 3.49Å; V299-I303 PolarHBondContact O-N 2.79Å; V299-L349 HydrophobicContact CG2-CD1 3.66Å
300	E	98.4	Very high	97.5	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-39.1	178	-71.8	122.2	-155.2	0	0	112.3	E296 R297 F302 I303 E304	E296-E300 VanDerWaalsContact C-OE2 3.23Å; E296-E300 PolarHBondContact O-N 2.86Å; E296-E300 VanDerWaalsContact O-OE2 3.14Å; R297-E300 VanDerWaalsContact CA-OE2 3.26Å; R297-E300 WeakPolarHBondContact CA-OE2 3.45Å; R297-E300 PolarHBondContact N-OE2 2.93Å; E300-F302 VanDerWaalsContact C-N 3.29Å; E300-F302 PolarHBondContact O-N 3.37Å; E300-I303 PolarHBondContact O-N 3.15Å; E300-E304 WeakPolarHBondContact O-CB 3.46Å; E300-E304 PolarHBondContact O-N 2.97Å
301	Q	98.4	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55	-44.2	174.4	161.2	171.7	-54.4	0	0	111.7	Q249 S250 V251 Y252 M286 R297 D298 V299 F305	Q249-Q301 PolarHBondContact O-NE2 3.1Å; S250-Q301 PolarHBondContact OG-OE1 3.1Å; V251-Q301 HydrophobicContact CG1-CG 4.24Å; V251-Q301 HydrophobicContact CG2-CB 3.96Å; V251-Q301 HydrophobicContact CG2-CG 3.81Å; Y252-Q301 HydrophobicContact CE2-CB 3.8Å; Y252-Q301 PolarHBondContact OH-N 3.08Å; M286-Q301 HydrophobicContact CE-CG 3.94Å; R297-Q301 WeakPolarHBondContact O-CB 3.41Å; R297-Q301 PolarHBondContact O-N 3.28Å; D298-Q301 WeakPolarHBondContact O-CB 3.22Å; D298-Q301 PolarHBondContact O-N 3.05Å; V299-Q301 VanDerWaalsContact C-N 3.3Å; V299-Q301 PolarHBondContact O-N 2.78Å; Q301-F305 WeakPolarHBondContact O-CB 3.37Å; Q301-F305 PolarHBondContact O-N 2.94Å
302	F	98.5	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-77.9	-31.2	-179.5	-74.7	-73.3	0	0	0	113.2	M286 P288 D298 V299 E300 F305 F306 L316 L318 I353 L356	M286-F302 HydrophobicContact CB-CE1 3.61Å; M286-F302 HydrophobicContact CB-CZ 3.78Å; M286-F302 HydrophobicContact CE-CE1 4.47Å; M286-F302 HydrophobicContact CG-CE1 3.97Å; P288-F302 HydrophobicContact CB-CE2 4.25Å; D298-F302 WeakPolarHBondContact O-CD2 3.49Å; D298-F302 PolarHBondContact O-N 3.01Å; V299-F302 PolarHBondContact O-N 2.85Å; V299-F302 VanDerWaalsContact O-N 3.14Å; E300-F302 VanDerWaalsContact C-N 3.29Å; E300-F302 PolarHBondContact O-N 3.37Å; F302-F305 HydrophobicContact CD1-CD1 4.34Å; F302-F305 PolarHBondContact O-N 2.9Å; F302-F306 HydrophobicContact CB-CE2 4.49Å; F302-F306 HydrophobicContact CD1-CE2 4.41Å; F302-F306 WeakPolarHBondContact O-CD2 3.18Å; F302-F306 PolarHBondContact O-N 3.38Å; F302-L316 HydrophobicContact CE1-CD2 4.39Å; F302-L318 HydrophobicContact CE1-CD1 3.82Å; F302-L318 HydrophobicContact CE2-CD1 4.21Å; F302-L318 HydrophobicContact CZ-CD1 3.38Å; F302-I353 HydrophobicContact CB-CG1 4.21Å; F302-I353 HydrophobicContact CB-CG2 4.33Å; F302-I353 HydrophobicContact CD1-CG2 3.82Å; F302-I353 HydrophobicContact CD2-CB 4.47Å; F302-I353 HydrophobicContact CD2-CD1 3.36Å; F302-I353 HydrophobicContact CD2-CG1 3.46Å; F302-I353 VanDerWaalsContact CD2-CG1 3.46Å; F302-I353 HydrophobicContact CD2-CG2 4.18Å; F302-I353 HydrophobicContact CE1-CG2 4.17Å; F302-I353 HydrophobicContact CE2-CD1 3.33Å; F302-I353 HydrophobicContact CE2-CG1 3.98Å; F302-I353 HydrophobicContact CG-CB 4.46Å; F302-I353 HydrophobicContact CG-CD1 4.13Å; F302-I353 HydrophobicContact CG-CG1 3.83Å; F302-I353 HydrophobicContact CG-CG2 3.84Å; F302-I353 HydrophobicContact CZ-CD1 4.04Å; F302-L356 HydrophobicContact CB-CD1 4.37Å
303	I	98.6	Very high	97.8	Very high	56 Å²	56	43 Å²	43	29%	0.287	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-54.4	169.8	-66.2	170.1	0	0	0	109.1	V299 E300 F305 F306 E307 L356	V299-I303 HydrophobicContact CG1-CD1 3.96Å; V299-I303 WeakPolarHBondContact O-CG1 3.49Å; V299-I303 PolarHBondContact O-N 2.79Å; E300-I303 PolarHBondContact O-N 3.15Å; I303-F305 VanDerWaalsContact C-N 3.3Å; I303-F305 PolarHBondContact O-N 2.81Å; I303-F306 PolarHBondContact O-N 2.8Å; I303-E307 HydrophobicContact CG2-CG 4.23Å; I303-E307 WeakPolarHBondContact O-CB 3.3Å; I303-E307 WeakPolarHBondContact O-CG 3.29Å; I303-E307 PolarHBondContact O-N 3.36Å; I303-L356 HydrophobicContact CG1-CD1 3.68Å; I303-L356 HydrophobicContact CG1-CD2 4.31Å
304	E	98.4	Very high	97.9	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-56.8	-45.7	178	-176.4	-179.2	176	0	0	111.1	V251 E300 F306 E307 N308 F311	V251-E304 WeakPolarHBondContact CG2-OE2 3.29Å; E300-E304 WeakPolarHBondContact O-CB 3.46Å; E300-E304 PolarHBondContact O-N 2.97Å; E304-F306 VanDerWaalsContact C-N 3.25Å; E304-F306 PolarHBondContact O-N 3.08Å; E304-E307 PolarHBondContact O-N 3.05Å; E304-N308 HydrophobicContact CG-CB 3.89Å; E304-N308 WeakPolarHBondContact O-CA 3.38Å; E304-N308 WeakPolarHBondContact O-CB 3.19Å; E304-N308 PolarHBondContact O-N 3.41Å; E304-N308 PolarHBondContact OE1-ND2 3.31Å; E304-F311 HydrophobicContact CG-CE2 4.48Å
305	F	98.5	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-32.7	-177.8	178.4	-107	0	0	0	114.4	V251 A284 M286 Q301 F302 I303 F311 R312 P313 L316	V251-F305 HydrophobicContact CG1-CB 4.16Å; V251-F305 HydrophobicContact CG1-CD2 4.24Å; A284-F305 HydrophobicContact CB-CE2 3.82Å; A284-F305 HydrophobicContact CB-CZ 3.52Å; M286-F305 HydrophobicContact CE-CD2 3.97Å; M286-F305 HydrophobicContact CE-CE2 4.25Å; M286-F305 HydrophobicContact CE-CG 4.32Å; M286-F305 HydrophobicContact CG-CD2 4.44Å; M286-F305 HydrophobicContact CG-CE1 4.11Å; M286-F305 HydrophobicContact CG-CE2 3.92Å; M286-F305 HydrophobicContact CG-CZ 3.68Å; M286-F305 HydrophobicContact SD-CD2 3.95Å; M286-F305 HydrophobicContact SD-CE2 3.6Å; M286-F305 VanDerWaalsContact SD-CE2 3.6Å; M286-F305 HydrophobicContact SD-CZ 4.02Å; Q301-F305 WeakPolarHBondContact O-CB 3.37Å; Q301-F305 PolarHBondContact O-N 2.94Å; F302-F305 HydrophobicContact CD1-CD1 4.34Å; F302-F305 PolarHBondContact O-N 2.9Å; I303-F305 VanDerWaalsContact C-N 3.3Å; I303-F305 PolarHBondContact O-N 2.81Å; F305-F311 HydrophobicContact CD2-CB 4Å; F305-F311 HydrophobicContact CD2-CD1 4.34Å; F305-F311 HydrophobicContact CD2-CG 4.11Å; F305-F311 HydrophobicContact CE2-CB 4.4Å; F305-F311 VanDerWaalsContact O-CB 3.31Å; F305-F311 WeakPolarHBondContact O-CB 3.43Å; F305-R312 PolarHBondContact O-N 3.05Å; F305-P313 HydrophobicContact CE1-CG 3.69Å; F305-P313 HydrophobicContact CE2-CG 4.06Å; F305-P313 HydrophobicContact CZ-CG 3.35Å; F305-L316 HydrophobicContact CE1-CD1 4.14Å; F305-L316 HydrophobicContact CZ-CD1 4.32Å
306	F	98.1	Very high	98.2	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-94.2	-31.8	177.3	-64.6	-54.7	0	0	0	113.3	F302 I303 E304 R312 L316 L356 V357 P358 T361	F302-F306 HydrophobicContact CB-CE2 4.49Å; F302-F306 HydrophobicContact CD1-CE2 4.41Å; F302-F306 WeakPolarHBondContact O-CD2 3.18Å; F302-F306 PolarHBondContact O-N 3.38Å; I303-F306 PolarHBondContact O-N 2.8Å; E304-F306 VanDerWaalsContact C-N 3.25Å; E304-F306 PolarHBondContact O-N 3.08Å; F306-R312 WeakPolarHBondContact O-CG 3.5Å; F306-R312 PolarHBondContact O-NE 2.75Å; F306-L316 HydrophobicContact CZ-CD2 4.02Å; F306-L356 HydrophobicContact CD2-CB 4.07Å; F306-L356 HydrophobicContact CE2-CB 4.34Å; F306-V357 HydrophobicContact CE2-CG2 4.19Å; F306-V357 HydrophobicContact CZ-CG2 3.93Å; F306-P358 HydrophobicContact CD1-CG 4.13Å; F306-T361 HydrophobicContact CE1-CG2 4.14Å
307	E	98	Very high	98.2	Very high	126 Å²	126	31.1 Å²	31.1	59%	0.589	15%	0.154	S	C	*	.	H	α-helix	trans	-85.1	-39.8	-177.4	-67.9	-172.8	173.2	0	0	112.8	I303 E304 R312	I303-E307 HydrophobicContact CG2-CG 4.23Å; I303-E307 WeakPolarHBondContact O-CB 3.3Å; I303-E307 WeakPolarHBondContact O-CG 3.29Å; I303-E307 PolarHBondContact O-N 3.36Å; E304-E307 PolarHBondContact O-N 3.05Å; E307-R312 VanDerWaalsContact O-CZ 3.3Å; E307-R312 PolarHBondContact O-NE 2.9Å; E307-R312 VanDerWaalsContact O-NE 3.15Å; E307-R312 PolarHBondContact O-NH2 2.97Å
308	N	98.3	Very high	98.2	Very high	52 Å²	52	28 Å²	28	28%	0.278	14%	0.143	S	C	.	.	S	Bend	trans	-69.9	121.2	-177.3	-176.2	-15	0	0	0	110.4	E304 A310 F311	E304-N308 HydrophobicContact CG-CB 3.89Å; E304-N308 WeakPolarHBondContact O-CA 3.38Å; E304-N308 WeakPolarHBondContact O-CB 3.19Å; E304-N308 PolarHBondContact O-N 3.41Å; E304-N308 PolarHBondContact OE1-ND2 3.31Å; N308-A310 PolarHBondContact O-N 2.86Å; N308-A310 VanDerWaalsContact OD1-CB 3.29Å; N308-A310 WeakPolarHBondContact OD1-CB 3.32Å; N308-A310 PolarHBondContact OD1-N 2.71Å; N308-F311 HydrophobicContact CB-CD2 4.11Å; N308-F311 PolarHBondContact O-N 3.13Å; N308-F311 VanDerWaalsContact O-N 3.08Å
309	P	97.8	Very high	98.1	Very high	55 Å²	55	28.7 Å²	28.7	36%	0.357	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.3	-179.1	26.7	-35.6	0	0	0	113.6	F311 V429 A430 N431	P309-F311 PolarHBondContact O-N 2.8Å; P309-V429 HydrophobicContact CB-CG1 4.17Å; P309-A430 CarbonylContact O-C 3.6Å; P309-A430 WeakPolarHBondContact O-CA 3.46Å; P309-N431 PolarHBondContact O-N 2.96Å
310	A	97.8	Very high	98.1	Very high	27 Å²	27	27.4 Å²	27.4	22%	0.223	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17	174.2	0	0	0	0	0	113.8	C269 N308 N431	C269-A310 HydrophobicContact CB-CB 4.24Å; N308-A310 PolarHBondContact O-N 2.86Å; N308-A310 VanDerWaalsContact OD1-CB 3.29Å; N308-A310 WeakPolarHBondContact OD1-CB 3.32Å; N308-A310 PolarHBondContact OD1-N 2.71Å; A310-N431 PolarHBondContact O-ND2 2.84Å
311	F	98.3	Very high	98	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.013	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-88.1	179.3	-58.9	-72.1	0	0	0	112.3	V251 V265 V268 C269 F272 K276 E304 F305 N308 P309 N431	V251-F311 HydrophobicContact CB-CE2 4.28Å; V251-F311 HydrophobicContact CB-CZ 4.08Å; V251-F311 HydrophobicContact CG1-CE1 4.38Å; V251-F311 HydrophobicContact CG1-CE2 4Å; V251-F311 HydrophobicContact CG1-CZ 3.91Å; V265-F311 HydrophobicContact CG1-CE1 4.02Å; V265-F311 HydrophobicContact CG1-CZ 3.63Å; V268-F311 HydrophobicContact CG1-CD1 4.42Å; V268-F311 HydrophobicContact CG1-CE1 4.2Å; C269-F311 VanDerWaalsContact SG-CE1 3.57Å; F272-F311 WeakPolarHBondContact CD2-O 3.29Å; F272-F311 HydrophobicContact CE2-CB 4.36Å; F272-F311 HydrophobicContact CE2-CD1 4.25Å; K276-F311 PolarHBondContact NZ-O 2.74Å; E304-F311 HydrophobicContact CG-CE2 4.48Å; F305-F311 HydrophobicContact CD2-CB 4Å; F305-F311 HydrophobicContact CD2-CD1 4.34Å; F305-F311 HydrophobicContact CD2-CG 4.11Å; F305-F311 HydrophobicContact CE2-CB 4.4Å; F305-F311 VanDerWaalsContact O-CB 3.31Å; F305-F311 WeakPolarHBondContact O-CB 3.43Å; N308-F311 HydrophobicContact CB-CD2 4.11Å; N308-F311 PolarHBondContact O-N 3.13Å; N308-F311 VanDerWaalsContact O-N 3.08Å; P309-F311 PolarHBondContact O-N 2.8Å; F311-N431 PolarHBondContact O-OD1 3.36Å
312	R	98	Very high	97.9	Very high	51 Å²	51	23.7 Å²	23.7	19%	0.192	12%	0.121	C	C	.	.			trans	36.5	61.6	-179.7	-73.4	179.2	-178.8	-176.3	-3.8	113.6	K276 F305 F306 E307 V429 A430	K276-R312 PolarHBondContact NZ-O 3.38Å; F305-R312 PolarHBondContact O-N 3.05Å; F306-R312 WeakPolarHBondContact O-CG 3.5Å; F306-R312 PolarHBondContact O-NE 2.75Å; E307-R312 VanDerWaalsContact O-CZ 3.3Å; E307-R312 PolarHBondContact O-NE 2.9Å; E307-R312 VanDerWaalsContact O-NE 3.15Å; E307-R312 PolarHBondContact O-NH2 2.97Å; R312-V429 WeakPolarHBondContact CD-O 3.32Å; R312-V429 PolarHBondContact NH1-O 2.89Å; R312-A430 HydrophobicContact CB-CB 4Å
313	P	98.1	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.			trans	-73.5	161.3	-178.3	34.6	-39.4	0	0	0	111.9	F272 A284 F305 G315 T361	F272-P313 HydrophobicContact CE2-CB 4.19Å; A284-P313 HydrophobicContact CB-CB 4.45Å; A284-P313 HydrophobicContact CB-CG 4.36Å; F305-P313 HydrophobicContact CE1-CG 3.69Å; F305-P313 HydrophobicContact CE2-CG 4.06Å; F305-P313 HydrophobicContact CZ-CG 3.35Å; P313-G315 PolarHBondContact O-N 3.07Å; P313-T361 PolarHBondContact O-OG1 3.22Å
314	D	98.6	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-75.5	-16.5	176.1	-51.8	-68.2	0	0	0	112.7	K281 V282 T361 R362 R453 R474	K281-D314 HydrophobicContact CD-CB 4.4Å; K281-D314 HydrophobicContact CG-CB 3.71Å; V282-D314 PolarHBondContact N-OD2 3.43Å; V282-D314 WeakPolarHBondContact O-CB 3.3Å; V282-D314 PolarHBondContact O-N 2.76Å; D314-T361 WeakPolarHBondContact O-CA 3.36Å; D314-R362 PolarHBondContact O-N 2.76Å; D314-R453 WeakPolarHBondContact OD1-CD 3.31Å; D314-R453 IonicContact OD1-CZ 2.7Å; D314-R453 IonicContact OD1-NE 2.72Å; D314-R453 IonicContact OD1-NH1 3.76Å; D314-R453 PolarHBondContact OD1-NH1 3.34Å; D314-R474 IonicContact OD1-CZ 3.56Å; D314-R474 IonicContact OD1-NH1 3.63Å; D314-R474 PolarHBondContact OD1-NH1 3.45Å; D314-R474 VanDerWaalsContact OD1-NH1 3.1Å; D314-R474 IonicContact OD1-NH2 3.38Å; D314-R474 IonicContact OD2-CZ 2.95Å; D314-R474 IonicContact OD2-NH1 2.82Å; D314-R474 IonicContact OD2-NH2 2.73Å; D314-R474 PolarHBondContact OD2-NH2 3.07Å
315	G	98.3	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	164.8	177.1	0	0	0	0	0	114.4	V282 V283 A284 P313 R362	V282-G315 PolarHBondContact O-N 3.39Å; V283-G315 WeakPolarHBondContact CA-O 3.48Å; A284-G315 PolarHBondContact N-O 3.17Å; P313-G315 PolarHBondContact O-N 3.07Å; G315-R362 CarbonylContact C-O 3.5Å; G315-R362 WeakPolarHBondContact CA-O 3.28Å
316	L	98.4	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.5	-177.3	175.2	61.8	0	0	0	110.1	A284 M286 F302 F305 F306 L318 R362 V363 Y364	A284-L316 WeakPolarHBondContact O-CA 3.34Å; M286-L316 HydrophobicContact CB-CD1 3.72Å; M286-L316 HydrophobicContact CG-CD1 3.5Å; M286-L316 VanDerWaalsContact CG-CD1 3.5Å; F302-L316 HydrophobicContact CE1-CD2 4.39Å; F305-L316 HydrophobicContact CE1-CD1 4.14Å; F305-L316 HydrophobicContact CZ-CD1 4.32Å; F306-L316 HydrophobicContact CZ-CD2 4.02Å; L316-L318 HydrophobicContact CD2-CB 4.3Å; L316-L318 HydrophobicContact CG-CB 4.3Å; L316-R362 PolarHBondContact N-O 2.87Å; L316-V363 WeakPolarHBondContact O-CA 3.34Å; L316-Y364 PolarHBondContact O-N 2.78Å
317	K	97.9	Very high	96.8	Very high	10 Å²	10	27.8 Å²	27.8	4%	0.043	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.9	156.6	-64.8	-163	-174.7	169.5	0	107.9	E222 E245 V283 A284 H285 M286 Y319	E222-K317 IonicContact OE1-NZ 3.74Å; E245-K317 WeakPolarHBondContact OE1-CE 3.39Å; E245-K317 IonicContact OE1-NZ 2.82Å; E245-K317 PolarHBondContact OE1-NZ 3.02Å; E245-K317 WeakPolarHBondContact OE2-CE 3.27Å; E245-K317 IonicContact OE2-NZ 2.74Å; E245-K317 PolarHBondContact OE2-NZ 3.09Å; V283-K317 HydrophobicContact CG1-CG 4.24Å; A284-K317 PolarHBondContact O-N 3.46Å; H285-K317 WeakPolarHBondContact CA-O 3.41Å; M286-K317 PolarHBondContact N-O 2.67Å; K317-Y319 HydrophobicContact CB-CD2 4.43Å; K317-Y319 HydrophobicContact CB-CE1 4.12Å; K317-Y319 HydrophobicContact CB-CE2 3.88Å; K317-Y319 HydrophobicContact CD-CE2 4.27Å; K317-Y319 WeakPolarHBondContact CD-OH 3.5Å
318	L	97.6	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.4	-178.1	-175.1	64.6	0	0	0	109.1	P288 F302 L316 V350 I353 R365 V366 Q367	P288-L318 HydrophobicContact CG-CD1 4.07Å; F302-L318 HydrophobicContact CE1-CD1 3.82Å; F302-L318 HydrophobicContact CE2-CD1 4.21Å; F302-L318 HydrophobicContact CZ-CD1 3.38Å; L316-L318 HydrophobicContact CD2-CB 4.3Å; L316-L318 HydrophobicContact CG-CB 4.3Å; L318-V350 HydrophobicContact CD2-CG1 3.97Å; L318-V350 HydrophobicContact CD2-CG2 4.15Å; L318-I353 HydrophobicContact CD1-CD1 4.36Å; L318-I353 HydrophobicContact CD2-CD1 4.37Å; L318-I353 HydrophobicContact CD2-CG2 4.18Å; L318-R365 PolarHBondContact N-O 3.28Å; L318-V366 HydrophobicContact CD2-CG1 4.49Å; L318-V366 CarbonylContact O-C 3.51Å; L318-V366 WeakPolarHBondContact O-CA 3.2Å; L318-Q367 PolarHBondContact O-N 3.11Å
319	Y	96.6	Very high	96.7	Very high	13 Å²	13	21.2 Å²	21.2	5%	0.051	12%	0.124	C	C	.	.			trans	-124.1	88.3	-174	-66	-31.7	0	0	0	110.6	H285 M286 M287 K317 T321 R365 Q367 R368	H285-Y319 HydrophobicContact CB-CD2 4.33Å; H285-Y319 HydrophobicContact CB-CE2 4.42Å; H285-Y319 AromaticContact ND1-CE2 3.77Å; M286-Y319 PolarHBondContact O-N 3.09Å; M287-Y319 VanDerWaalsContact CA-O 3.28Å; M287-Y319 WeakPolarHBondContact CA-O 3.22Å; M287-Y319 WeakPolarHBondContact CB-O 3.49Å; M287-Y319 VanDerWaalsContact CG-O 3.28Å; M287-Y319 WeakPolarHBondContact CG-O 3.21Å; K317-Y319 HydrophobicContact CB-CD2 4.43Å; K317-Y319 HydrophobicContact CB-CE1 4.12Å; K317-Y319 HydrophobicContact CB-CE2 3.88Å; K317-Y319 HydrophobicContact CD-CE2 4.27Å; K317-Y319 WeakPolarHBondContact CD-OH 3.5Å; Y319-T321 PolarHBondContact O-N 3.14Å; Y319-R365 HydrophobicContact CE1-CB 3.99Å; Y319-Q367 WeakPolarHBondContact CE1-O 3.36Å; Y319-R368 HydrophobicContact CD1-CB 4.32Å; Y319-R368 HydrophobicContact CD1-CG 3.28Å; Y319-R368 HydrophobicContact CD2-CG 3.87Å; Y319-R368 HydrophobicContact CE1-CB 4.42Å; Y319-R368 HydrophobicContact CE1-CG 3.61Å; Y319-R368 HydrophobicContact CE2-CG 4.15Å; Y319-R368 HydrophobicContact CG-CG 3.4Å
320	P	96.8	Very high	96.6	Very high	4 Å²	4	21 Å²	21	3%	0.026	12%	0.117	C	C	.	.			trans	-51.2	139.5	170.9	-25.7	35.1	0	0	0	111.5	P288 L346 V379 L384	P288-P320 HydrophobicContact CG-CB 4.22Å; P288-P320 HydrophobicContact CG-CG 4.13Å; P320-L346 HydrophobicContact CB-CD1 3.96Å; P320-L346 HydrophobicContact CB-CD2 3.88Å; P320-L346 HydrophobicContact CG-CD1 4.07Å; P320-L346 HydrophobicContact CG-CD2 4.21Å; P320-V379 HydrophobicContact CB-CG2 3.83Å; P320-V379 HydrophobicContact CG-CG2 4.27Å; P320-L384 HydrophobicContact CG-CD2 3.79Å
321	T	97.1	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.			trans	-62	137.7	-176.9	-61.1	0	0	0	0	110.7	M287 P288 D289 Y319 L329	M287-T321 HydrophobicContact CE-CG2 4.43Å; P288-T321 PolarHBondContact O-N 3.46Å; P288-T321 VanDerWaalsContact O-N 3.09Å; P288-T321 PolarHBondContact O-OG1 3.37Å; D289-T321 WeakPolarHBondContact O-CB 3.35Å; D289-T321 PolarHBondContact O-OG1 2.92Å; Y319-T321 PolarHBondContact O-N 3.14Å; T321-L329 HydrophobicContact CG2-CD2 3.36Å
322	L	95.9	Very high	96.5	Very high	16 Å²	16	26 Å²	26	8%	0.084	14%	0.136	C	C	.	.			trans	-122.8	132.9	179	-63.6	178.5	0	0	0	109	I324 I370 V375 V379	L322-I324 HydrophobicContact CB-CD1 4.33Å; L322-I324 HydrophobicContact CB-CG1 4.28Å; L322-I370 HydrophobicContact CD1-CB 4.28Å; L322-I370 HydrophobicContact CD1-CD1 4.13Å; L322-V375 HydrophobicContact CB-CG1 4.39Å; L322-V375 HydrophobicContact CD1-CG2 4.11Å; L322-V375 HydrophobicContact CD2-CG1 3.97Å; L322-V379 HydrophobicContact CD2-CB 3.84Å; L322-V379 HydrophobicContact CD2-CG2 3.77Å
323	V	96.8	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.3	172.5	-176.1	0	0	0	0	108.3	L329 Y330 W333 Y338 S376 S377	V323-L329 HydrophobicContact CG2-CD2 4.12Å; V323-L329 HydrophobicContact CG2-CG 4.29Å; V323-Y330 HydrophobicContact CG1-CD2 3.9Å; V323-Y330 HydrophobicContact CG1-CG 4.49Å; V323-W333 HydrophobicContact CG1-CB 3.83Å; V323-W333 HydrophobicContact CG1-CD2 4.12Å; V323-W333 HydrophobicContact CG1-CE3 4.31Å; V323-W333 HydrophobicContact CG1-CG 3.92Å; V323-W333 HydrophobicContact CG2-CB 4.3Å; V323-W333 HydrophobicContact CG2-CG 4.27Å; V323-Y338 HydrophobicContact CG2-CD1 4.01Å; V323-Y338 HydrophobicContact CG2-CE1 3.52Å; V323-S376 PolarHBondContact O-N 2.92Å; V323-S377 PolarHBondContact N-O 3.45Å
324	I	95.1	Very high	96.5	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	-177.3	-60.6	169	0	0	0	108.4	P114 F121 L322 T327 Y330 I370	P114-I324 HydrophobicContact CB-CB 4.24Å; P114-I324 HydrophobicContact CB-CD1 3.84Å; P114-I324 HydrophobicContact CB-CG2 3.94Å; P114-I324 HydrophobicContact CG-CD1 3.75Å; F121-I324 HydrophobicContact CE2-CG2 4.16Å; F121-I324 HydrophobicContact CZ-CG2 4.05Å; L322-I324 HydrophobicContact CB-CD1 4.33Å; L322-I324 HydrophobicContact CB-CG1 4.28Å; I324-T327 HydrophobicContact CB-CG2 4.2Å; I324-T327 WeakPolarHBondContact O-CB 3.32Å; I324-T327 WeakPolarHBondContact O-CG2 3.47Å; I324-T327 PolarHBondContact O-N 2.93Å; I324-T327 PolarHBondContact O-OG1 2.66Å; I324-Y330 WeakPolarHBondContact O-CB 2.98Å; I324-I370 HydrophobicContact CD1-CD1 3.55Å; I324-I370 HydrophobicContact CD1-CG2 4.27Å
325	R	92.5	Very high	96.4	Very high	165 Å²	165	38.8 Å²	38.8	62%	0.623	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	140.5	177.3	-177.1	177.8	168.2	-179.7	-3.3	111.5	T327 Y330	R325-T327 VanDerWaalsContact C-N 3.33Å; R325-Y330 HydrophobicContact CB-CD2 4.42Å; R325-Y330 HydrophobicContact CB-CE2 4.35Å
326	G	90.4	Very high	96.3	Very high	52 Å²	52	41.9 Å²	41.9	54%	0.536	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	6.4	179.8	0	0	0	0	0	114.4
327	T	95.4	Very high	96.2	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.043	27%	0.267	C	S	.	.	S	Bend	trans	-98	156.4	172.5	63.8	0	0	0	0	111.4	P114 I324 R325 L329 Y330	P114-T327 HydrophobicContact CB-CG2 3.99Å; I324-T327 HydrophobicContact CB-CG2 4.2Å; I324-T327 WeakPolarHBondContact O-CB 3.32Å; I324-T327 WeakPolarHBondContact O-CG2 3.47Å; I324-T327 PolarHBondContact O-N 2.93Å; I324-T327 PolarHBondContact O-OG1 2.66Å; R325-T327 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 3.36Å; T327-Y330 VanDerWaalsContact O-CB 3.3Å; T327-Y330 WeakPolarHBondContact O-CB 3.31Å; T327-Y330 PolarHBondContact O-N 2.89Å; T327-Y330 VanDerWaalsContact O-N 3.1Å; T327-Y330 PolarHBondContact OG1-N 3.01Å
328	G	95.4	Very high	96.2	Very high	39 Å²	39	51.8 Å²	51.8	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-32.5	171.9	0	0	0	0	0	112.5	V111 Y330 E331 L332	V111-G328 CarbonylContact O-C 3.32Å; V111-G328 WeakPolarHBondContact O-CA 3.46Å; V111-G328 PolarHBondContact O-N 3.44Å; G328-Y330 VanDerWaalsContact C-N 3.27Å; G328-Y330 PolarHBondContact O-N 3.1Å; G328-E331 PolarHBondContact O-N 2.78Å; G328-L332 PolarHBondContact O-N 2.95Å
329	L	97	Very high	96.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-34.1	175.1	-173.8	65.3	0	0	0	112.4	V111 P291 T321 V323 T327 E331 L332 W333 Y338	V111-L329 HydrophobicContact CG1-CB 4.15Å; V111-L329 PolarHBondContact O-N 2.96Å; P291-L329 HydrophobicContact CG-CD1 3.43Å; P291-L329 VanDerWaalsContact CG-CD1 3.43Å; T321-L329 HydrophobicContact CG2-CD2 3.36Å; V323-L329 HydrophobicContact CG2-CD2 4.12Å; V323-L329 HydrophobicContact CG2-CG 4.29Å; T327-L329 PolarHBondContact O-N 3.36Å; L329-E331 VanDerWaalsContact C-N 3.32Å; L329-E331 PolarHBondContact O-N 2.69Å; L329-L332 HydrophobicContact CD1-CD1 4.42Å; L329-L332 PolarHBondContact O-N 3.49Å; L329-W333 PolarHBondContact O-N 2.86Å; L329-Y338 HydrophobicContact CD1-CD1 3.88Å; L329-Y338 HydrophobicContact CD1-CD2 3.88Å; L329-Y338 HydrophobicContact CD1-CE1 4.11Å; L329-Y338 HydrophobicContact CD1-CE2 4.08Å; L329-Y338 HydrophobicContact CD1-CG 3.76Å; L329-Y338 HydrophobicContact CD2-CE1 4.38Å; L329-Y338 HydrophobicContact CG-CD1 4.32Å; L329-Y338 HydrophobicContact CG-CE1 4.37Å
330	Y	97.1	Very high	96.1	Very high	50 Å²	50	60.5 Å²	60.5	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-38.4	176.5	-177.7	-92.6	0	0	0	112.3	V323 I324 R325 T327 G328 W333 K334	V323-Y330 HydrophobicContact CG1-CD2 3.9Å; V323-Y330 HydrophobicContact CG1-CG 4.49Å; I324-Y330 WeakPolarHBondContact O-CB 2.98Å; R325-Y330 HydrophobicContact CB-CD2 4.42Å; R325-Y330 HydrophobicContact CB-CE2 4.35Å; T327-Y330 VanDerWaalsContact O-CB 3.3Å; T327-Y330 WeakPolarHBondContact O-CB 3.31Å; T327-Y330 PolarHBondContact O-N 2.89Å; T327-Y330 VanDerWaalsContact O-N 3.1Å; T327-Y330 PolarHBondContact OG1-N 3.01Å; G328-Y330 VanDerWaalsContact C-N 3.27Å; G328-Y330 PolarHBondContact O-N 3.1Å; Y330-W333 HydrophobicContact CD2-CE3 4.26Å; Y330-W333 HydrophobicContact CE2-CE3 4.08Å; Y330-W333 AromaticContact CE2-CZ3 3.99Å; Y330-W333 HydrophobicContact CE2-CZ3 3.99Å; Y330-W333 PolarHBondContact O-N 3.49Å; Y330-K334 HydrophobicContact CE1-CD 4.29Å; Y330-K334 VanDerWaalsContact O-CB 3.3Å; Y330-K334 WeakPolarHBondContact O-CB 3.35Å; Y330-K334 PolarHBondContact O-N 2.76Å
331	E	96.6	Very high	96.1	Very high	95 Å²	95	62.1 Å²	62.1	44%	0.444	31%	0.313	S	S	.	.	H	α-helix	trans	-70.4	-35.8	176.9	-61.7	-53	139.1	0	0	112.1	G328 L329 W333 K334 T335	G328-E331 PolarHBondContact O-N 2.78Å; L329-E331 VanDerWaalsContact C-N 3.32Å; L329-E331 PolarHBondContact O-N 2.69Å; E331-W333 VanDerWaalsContact C-N 3.34Å; E331-K334 PolarHBondContact O-N 3.38Å; E331-T335 WeakPolarHBondContact O-CB 3.33Å; E331-T335 WeakPolarHBondContact O-CG2 3.39Å; E331-T335 PolarHBondContact O-N 3.32Å; E331-T335 PolarHBondContact O-OG1 3.28Å
332	L	97.3	Very high	96	Very high	40 Å²	40	65 Å²	65	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-42	171.7	-64.1	178.1	0	0	0	111.5	V111 G328 L329 T335 G336 R337 Y338	V111-L332 HydrophobicContact CG1-CD1 4.17Å; G328-L332 PolarHBondContact O-N 2.95Å; L329-L332 HydrophobicContact CD1-CD1 4.42Å; L329-L332 PolarHBondContact O-N 3.49Å; L332-T335 PolarHBondContact O-OG1 2.85Å; L332-G336 PolarHBondContact O-N 3.19Å; L332-R337 HydrophobicContact CB-CB 4.47Å; L332-R337 HydrophobicContact CD2-CB 4.23Å; L332-R337 WeakPolarHBondContact O-CA 3.12Å; L332-R337 PolarHBondContact O-N 2.99Å; L332-Y338 PolarHBondContact O-N 2.92Å; L332-Y338 VanDerWaalsContact O-N 3.11Å
333	W	97.8	Very high	95.9	Very high	90 Å²	90	66.1 Å²	66.1	34%	0.341	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-47.3	176.1	177.4	76.1	0	0	0	111.9	V323 L329 Y330 E331 T335 G336 Y338	V323-W333 HydrophobicContact CG1-CB 3.83Å; V323-W333 HydrophobicContact CG1-CD2 4.12Å; V323-W333 HydrophobicContact CG1-CE3 4.31Å; V323-W333 HydrophobicContact CG1-CG 3.92Å; V323-W333 HydrophobicContact CG2-CB 4.3Å; V323-W333 HydrophobicContact CG2-CG 4.27Å; L329-W333 PolarHBondContact O-N 2.86Å; Y330-W333 HydrophobicContact CD2-CE3 4.26Å; Y330-W333 HydrophobicContact CE2-CE3 4.08Å; Y330-W333 AromaticContact CE2-CZ3 3.99Å; Y330-W333 HydrophobicContact CE2-CZ3 3.99Å; Y330-W333 PolarHBondContact O-N 3.49Å; E331-W333 VanDerWaalsContact C-N 3.34Å; W333-T335 VanDerWaalsContact C-N 3.28Å; W333-T335 PolarHBondContact O-N 2.98Å; W333-G336 PolarHBondContact O-N 2.82Å; W333-Y338 HydrophobicContact CB-CD1 4.21Å
334	K	97.3	Very high	95.7	Very high	139 Å²	139	70.4 Å²	70.4	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-61.4	-34.4	-179.8	-174.3	-177	176.8	-169.8	0	112.9	Y330 E331 G336	Y330-K334 HydrophobicContact CE1-CD 4.29Å; Y330-K334 VanDerWaalsContact O-CB 3.3Å; Y330-K334 WeakPolarHBondContact O-CB 3.35Å; Y330-K334 PolarHBondContact O-N 2.76Å; E331-K334 PolarHBondContact O-N 3.38Å; K334-G336 VanDerWaalsContact C-N 3.32Å
335	T	97.5	Very high	95.8	Very high	92 Å²	92	71.7 Å²	71.7	56%	0.564	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1.8	177.7	55.6	0	0	0	0	113.7	E331 L332 W333 R337	E331-T335 WeakPolarHBondContact O-CB 3.33Å; E331-T335 WeakPolarHBondContact O-CG2 3.39Å; E331-T335 PolarHBondContact O-N 3.32Å; E331-T335 PolarHBondContact O-OG1 3.28Å; L332-T335 PolarHBondContact O-OG1 2.85Å; W333-T335 VanDerWaalsContact C-N 3.28Å; W333-T335 PolarHBondContact O-N 2.98Å; T335-R337 VanDerWaalsContact C-N 3.25Å; T335-R337 PolarHBondContact O-N 2.79Å
336	G	96.5	Very high	96	Very high	65 Å²	65	64 Å²	64	67%	0.67	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	9.7	-179.3	0	0	0	0	0	114.7	L332 W333 K334	L332-G336 PolarHBondContact O-N 3.19Å; W333-G336 PolarHBondContact O-N 2.82Å; K334-G336 VanDerWaalsContact C-N 3.32Å
337	R	95.6	Very high	96.2	Very high	200 Å²	200	62.7 Å²	62.7	76%	0.755	34%	0.336	S	S	*	.	S	Bend	trans	-84	-11	178.4	-65.9	-177.4	62.5	-161.5	-2.7	113.7	L332 T335	L332-R337 HydrophobicContact CB-CB 4.47Å; L332-R337 HydrophobicContact CD2-CB 4.23Å; L332-R337 WeakPolarHBondContact O-CA 3.12Å; L332-R337 PolarHBondContact O-N 2.99Å; T335-R337 VanDerWaalsContact C-N 3.25Å; T335-R337 PolarHBondContact O-N 2.79Å
338	Y	97.4	Very high	96.3	Very high	18 Å²	18	63.7 Å²	63.7	7%	0.071	34%	0.341	C	S	.	.			trans	-136.8	138.3	173	172	-92.4	0	0	0	109.9	D289 P291 V323 L329 L332 W333 S340	D289-Y338 PolarHBondContact O-OH 3.22Å; D289-Y338 PolarHBondContact OD2-OH 2.86Å; P291-Y338 HydrophobicContact CB-CD2 4.28Å; P291-Y338 HydrophobicContact CG-CD2 4.01Å; P291-Y338 HydrophobicContact CG-CE2 4.2Å; V323-Y338 HydrophobicContact CG2-CD1 4.01Å; V323-Y338 HydrophobicContact CG2-CE1 3.52Å; L329-Y338 HydrophobicContact CD1-CD1 3.88Å; L329-Y338 HydrophobicContact CD1-CD2 3.88Å; L329-Y338 HydrophobicContact CD1-CE1 4.11Å; L329-Y338 HydrophobicContact CD1-CE2 4.08Å; L329-Y338 HydrophobicContact CD1-CG 3.76Å; L329-Y338 HydrophobicContact CD2-CE1 4.38Å; L329-Y338 HydrophobicContact CG-CD1 4.32Å; L329-Y338 HydrophobicContact CG-CE1 4.37Å; L332-Y338 PolarHBondContact O-N 2.92Å; L332-Y338 VanDerWaalsContact O-N 3.11Å; W333-Y338 HydrophobicContact CB-CD1 4.21Å; Y338-S340 WeakPolarHBondContact CE1-OG 3.47Å
339	K	96.2	Very high	96.4	Very high	184 Å²	184	61.9 Å²	61.9	80%	0.8	32%	0.322	S	S	*	.			trans	-138.4	120.5	175.2	-175.8	179.7	178.9	-178.1	0	108.6
340	S	96.7	Very high	96.4	Very high	11 Å²	11	61.9 Å²	61.9	8%	0.077	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-63.5	157.4	176.1	-38.9	0	0	0	0	111.4	D289 Y338 S377	D289-S340 VanDerWaalsContact OD2-CA 3.3Å; D289-S340 WeakPolarHBondContact OD2-CA 3.31Å; D289-S340 WeakPolarHBondContact OD2-CB 3.48Å; Y338-S340 WeakPolarHBondContact CE1-OG 3.47Å; S340-S377 WeakPolarHBondContact CB-OG 3.43Å; S340-S377 PolarHBondContact OG-OG 2.66Å
341	Y	96.7	Very high	96.5	Very high	38 Å²	38	59.5 Å²	59.5	15%	0.149	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-60.2	151.2	170.2	-62.7	-27.8	0	0	0	112.6	D289 V293 G294 M295 D298 L346 L349	D289-Y341 HydrophobicContact CB-CD2 3.68Å; D289-Y341 HydrophobicContact CB-CE2 3.62Å; D289-Y341 HydrophobicContact CB-CG 4.3Å; D289-Y341 WeakPolarHBondContact OD1-CD1 3.46Å; D289-Y341 WeakPolarHBondContact OD1-CE1 3.41Å; D289-Y341 PolarHBondContact OD1-N 3.18Å; D289-Y341 PolarHBondContact OD2-N 2.85Å; V293-Y341 PolarHBondContact O-OH 2.91Å; G294-Y341 PolarHBondContact O-OH 3.29Å; M295-Y341 WeakPolarHBondContact CA-OH 3.24Å; M295-Y341 HydrophobicContact CE-CD1 3.9Å; M295-Y341 HydrophobicContact CE-CD2 3.71Å; M295-Y341 HydrophobicContact CE-CE1 3.99Å; M295-Y341 HydrophobicContact CE-CE2 3.82Å; M295-Y341 HydrophobicContact CE-CG 3.77Å; M295-Y341 PolarHBondContact N-OH 3.44Å; M295-Y341 VanDerWaalsContact N-OH 3.11Å; M295-Y341 HydrophobicContact SD-CE2 4.28Å; D298-Y341 VanDerWaalsContact OD2-CE2 3.29Å; D298-Y341 WeakPolarHBondContact OD2-CE2 3.48Å; D298-Y341 PolarHBondContact OD2-OH 2.92Å; Y341-L346 HydrophobicContact CD2-CD1 4.37Å; Y341-L349 HydrophobicContact CD2-CD2 4.16Å; Y341-L349 HydrophobicContact CE2-CD2 3.7Å
342	S	95.2	Very high	96.5	Very high	60 Å²	60	60.4 Å²	60.4	42%	0.42	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.8	148.8	166.9	62.8	0	0	0	0	110.4	S344 A345 L346	S342-S344 VanDerWaalsContact C-N 3.29Å; S342-S344 PolarHBondContact O-N 3.49Å; S342-S344 PolarHBondContact OG-OG 3.18Å; S342-A345 PolarHBondContact O-N 2.9Å; S342-A345 VanDerWaalsContact O-N 3.14Å; S342-A345 VanDerWaalsContact OG-CB 3.23Å; S342-A345 WeakPolarHBondContact OG-CB 3.38Å; S342-A345 PolarHBondContact OG-N 2.82Å; S342-L346 PolarHBondContact O-N 3.34Å
343	P	93	Very high	96.5	Very high	41 Å²	41	58.5 Å²	58.5	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-53.3	-41.2	-179.7	-27.5	33.5	0	0	0	114.3	L346 V347 E380	P343-L346 PolarHBondContact O-N 3Å; P343-V347 VanDerWaalsContact O-CG2 3.31Å; P343-V347 WeakPolarHBondContact O-CG2 3.49Å; P343-V347 PolarHBondContact O-N 3.43Å; P343-E380 HydrophobicContact CG-CB 4.35Å; P343-E380 HydrophobicContact CG-CG 3.83Å; P343-E380 WeakPolarHBondContact CG-OE1 3.34Å; P343-E380 WeakPolarHBondContact CG-OE2 3.34Å
344	S	93.6	Very high	96.5	Very high	89 Å²	89	54.3 Å²	54.3	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-64.6	-47	178.8	52.5	0	0	0	0	112.3	S342 L346 V347 D348	S342-S344 VanDerWaalsContact C-N 3.29Å; S342-S344 PolarHBondContact O-N 3.49Å; S342-S344 PolarHBondContact OG-OG 3.18Å; S344-L346 VanDerWaalsContact C-N 3.32Å; S344-L346 PolarHBondContact O-N 2.96Å; S344-V347 PolarHBondContact O-N 2.89Å; S344-D348 PolarHBondContact O-N 2.97Å
345	A	96	Very high	96.5	Very high	30 Å²	30	49.7 Å²	49.7	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-38.5	176.7	0	0	0	0	0	112.1	M295 S342 D348 L349	M295-A345 HydrophobicContact CE-CB 3.78Å; S342-A345 PolarHBondContact O-N 2.9Å; S342-A345 VanDerWaalsContact O-N 3.14Å; S342-A345 VanDerWaalsContact OG-CB 3.23Å; S342-A345 WeakPolarHBondContact OG-CB 3.38Å; S342-A345 PolarHBondContact OG-N 2.82Å; A345-D348 PolarHBondContact O-N 3.15Å; A345-L349 WeakPolarHBondContact O-CB 3.47Å; A345-L349 PolarHBondContact O-N 3.38Å
346	L	96.3	Very high	96.5	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-41.4	176.1	-179.6	62.4	0	0	0	112.1	P320 Y341 S342 P343 S344 D348 L349 V350 V379 L384	P320-L346 HydrophobicContact CB-CD1 3.96Å; P320-L346 HydrophobicContact CB-CD2 3.88Å; P320-L346 HydrophobicContact CG-CD1 4.07Å; P320-L346 HydrophobicContact CG-CD2 4.21Å; Y341-L346 HydrophobicContact CD2-CD1 4.37Å; S342-L346 PolarHBondContact O-N 3.34Å; P343-L346 PolarHBondContact O-N 3Å; S344-L346 VanDerWaalsContact C-N 3.32Å; S344-L346 PolarHBondContact O-N 2.96Å; L346-D348 VanDerWaalsContact C-N 3.31Å; L346-D348 PolarHBondContact O-N 3.48Å; L346-L349 PolarHBondContact O-N 2.81Å; L346-V350 HydrophobicContact CD1-CG2 4.15Å; L346-V350 HydrophobicContact CG-CG2 4.43Å; L346-V350 WeakPolarHBondContact O-CB 3.47Å; L346-V350 VanDerWaalsContact O-CG2 3.26Å; L346-V350 WeakPolarHBondContact O-CG2 3.16Å; L346-V350 PolarHBondContact O-N 3.35Å; L346-V379 HydrophobicContact CD2-CG2 3.7Å; L346-L384 HydrophobicContact CD2-CD2 4.35Å
347	V	96.6	Very high	96.6	Very high	23 Å²	23	45.6 Å²	45.6	14%	0.139	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-43.1	174.7	169.6	0	0	0	0	110.7	P343 S344 V350 A351 L384 L387 R391	P343-V347 VanDerWaalsContact O-CG2 3.31Å; P343-V347 WeakPolarHBondContact O-CG2 3.49Å; P343-V347 PolarHBondContact O-N 3.43Å; S344-V347 PolarHBondContact O-N 2.89Å; V347-V350 PolarHBondContact O-N 2.99Å; V347-A351 WeakPolarHBondContact O-CB 3.25Å; V347-A351 PolarHBondContact O-N 2.78Å; V347-L384 HydrophobicContact CG2-CD1 3.73Å; V347-L387 HydrophobicContact CG1-CB 4.14Å; V347-L387 HydrophobicContact CG2-CB 3.99Å; V347-L387 HydrophobicContact CG2-CD1 4.31Å; V347-R391 HydrophobicContact CG1-CB 3.84Å; V347-R391 HydrophobicContact CG1-CG 4.22Å
348	D	96.9	Very high	96.7	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-44.2	177.2	-161.3	61.9	0	0	0	111.9	S344 A345 L346 A351 R352 R391	S344-D348 PolarHBondContact O-N 2.97Å; A345-D348 PolarHBondContact O-N 3.15Å; L346-D348 VanDerWaalsContact C-N 3.31Å; L346-D348 PolarHBondContact O-N 3.48Å; D348-A351 PolarHBondContact O-N 2.9Å; D348-R352 WeakPolarHBondContact O-CG 3.25Å; D348-R352 PolarHBondContact O-N 2.91Å; D348-R352 IonicContact OD2-CZ 3.56Å; D348-R352 VanDerWaalsContact OD2-CZ 3.23Å; D348-R352 IonicContact OD2-NE 2.78Å; D348-R352 PolarHBondContact OD2-NE 2.83Å; D348-R352 IonicContact OD2-NH2 3.9Å; D348-R352 PolarHBondContact OD2-NH2 2.9Å; D348-R391 IonicContact OD1-CZ 3.96Å; D348-R391 VanDerWaalsContact OD1-CZ 3.25Å; D348-R391 IonicContact OD1-NE 3.23Å; D348-R391 PolarHBondContact OD1-NE 2.82Å; D348-R391 IonicContact OD1-NH2 2.72Å; D348-R391 PolarHBondContact OD1-NH2 3.22Å
349	L	97.6	Very high	96.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-49.1	175.2	177.5	60.3	0	0	0	111.5	P288 M295 D298 V299 Y341 A345 L346 A351 R352 I353	P288-L349 HydrophobicContact CB-CD2 3.89Å; M295-L349 HydrophobicContact SD-CB 3.76Å; M295-L349 HydrophobicContact SD-CD1 3.95Å; M295-L349 HydrophobicContact SD-CD2 3.87Å; M295-L349 HydrophobicContact SD-CG 4.05Å; D298-L349 HydrophobicContact CB-CD1 4.06Å; D298-L349 HydrophobicContact CB-CD2 3.92Å; V299-L349 HydrophobicContact CG2-CD1 3.66Å; Y341-L349 HydrophobicContact CD2-CD2 4.16Å; Y341-L349 HydrophobicContact CE2-CD2 3.7Å; A345-L349 WeakPolarHBondContact O-CB 3.47Å; A345-L349 PolarHBondContact O-N 3.38Å; L346-L349 PolarHBondContact O-N 2.81Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.97Å; L349-R352 PolarHBondContact O-N 2.8Å; L349-I353 HydrophobicContact CD1-CD1 4Å; L349-I353 HydrophobicContact CD1-CG1 4.27Å; L349-I353 HydrophobicContact CD2-CD1 4.48Å; L349-I353 HydrophobicContact CG-CD1 3.79Å; L349-I353 HydrophobicContact CG-CG1 4.48Å; L349-I353 VanDerWaalsContact O-CG1 3.26Å; L349-I353 WeakPolarHBondContact O-CG1 3.1Å; L349-I353 PolarHBondContact O-N 2.89Å
350	V	97.5	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-39.1	179.8	173.9	0	0	0	0	111.2	L318 L346 V347 I353 L354 V366 L384 A388	L318-V350 HydrophobicContact CD2-CG1 3.97Å; L318-V350 HydrophobicContact CD2-CG2 4.15Å; L346-V350 HydrophobicContact CD1-CG2 4.15Å; L346-V350 HydrophobicContact CG-CG2 4.43Å; L346-V350 WeakPolarHBondContact O-CB 3.47Å; L346-V350 VanDerWaalsContact O-CG2 3.26Å; L346-V350 WeakPolarHBondContact O-CG2 3.16Å; L346-V350 PolarHBondContact O-N 3.35Å; V347-V350 PolarHBondContact O-N 2.99Å; V350-I353 PolarHBondContact O-N 2.88Å; V350-L354 HydrophobicContact CG1-CD1 4.16Å; V350-L354 HydrophobicContact CG1-CG 4.3Å; V350-L354 WeakPolarHBondContact O-CB 3.42Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.45Å; V350-L354 PolarHBondContact O-N 2.98Å; V350-V366 HydrophobicContact CG1-CG1 3.68Å; V350-L384 HydrophobicContact CG2-CD2 4.28Å; V350-A388 HydrophobicContact CB-CB 4.16Å; V350-A388 HydrophobicContact CG1-CB 3.6Å
351	A	97.4	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-45.7	174.6	0	0	0	0	0	111.7	V347 D348 L349 L354 A355 R391 M392 M395	V347-A351 WeakPolarHBondContact O-CB 3.25Å; V347-A351 PolarHBondContact O-N 2.78Å; D348-A351 PolarHBondContact O-N 2.9Å; L349-A351 VanDerWaalsContact C-N 3.32Å; L349-A351 PolarHBondContact O-N 2.97Å; A351-L354 PolarHBondContact O-N 3.29Å; A351-A355 PolarHBondContact O-N 2.91Å; A351-A355 VanDerWaalsContact O-N 3.07Å; A351-R391 HydrophobicContact CB-CB 4.09Å; A351-R391 HydrophobicContact CB-CG 3.83Å; A351-M392 HydrophobicContact CB-CG 3.62Å; A351-M395 HydrophobicContact CB-SD 4.21Å
352	R	97.6	Very high	96.9	Very high	114 Å²	114	28.7 Å²	28.7	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-61.5	-44.6	174.7	-66.9	173.5	-166.3	-153.3	5	111.9	D348 L349 L354 A355 L356 M395	D348-R352 WeakPolarHBondContact O-CG 3.25Å; D348-R352 PolarHBondContact O-N 2.91Å; D348-R352 IonicContact OD2-CZ 3.56Å; D348-R352 VanDerWaalsContact OD2-CZ 3.23Å; D348-R352 IonicContact OD2-NE 2.78Å; D348-R352 PolarHBondContact OD2-NE 2.83Å; D348-R352 IonicContact OD2-NH2 3.9Å; D348-R352 PolarHBondContact OD2-NH2 2.9Å; L349-R352 PolarHBondContact O-N 2.8Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.93Å; R352-A355 WeakPolarHBondContact O-CB 3.5Å; R352-A355 PolarHBondContact O-N 2.88Å; R352-L356 WeakPolarHBondContact O-CG 3.24Å; R352-L356 PolarHBondContact O-N 2.92Å; R352-M395 HydrophobicContact CG-CE 3.97Å
353	I	98	Very high	97	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-44.7	177.7	-65.7	163.1	0	0	0	110.8	F302 L318 L349 V350 A355 L356 V357	F302-I353 HydrophobicContact CB-CG1 4.21Å; F302-I353 HydrophobicContact CB-CG2 4.33Å; F302-I353 HydrophobicContact CD1-CG2 3.82Å; F302-I353 HydrophobicContact CD2-CB 4.47Å; F302-I353 HydrophobicContact CD2-CD1 3.36Å; F302-I353 HydrophobicContact CD2-CG1 3.46Å; F302-I353 VanDerWaalsContact CD2-CG1 3.46Å; F302-I353 HydrophobicContact CD2-CG2 4.18Å; F302-I353 HydrophobicContact CE1-CG2 4.17Å; F302-I353 HydrophobicContact CE2-CD1 3.33Å; F302-I353 HydrophobicContact CE2-CG1 3.98Å; F302-I353 HydrophobicContact CG-CB 4.46Å; F302-I353 HydrophobicContact CG-CD1 4.13Å; F302-I353 HydrophobicContact CG-CG1 3.83Å; F302-I353 HydrophobicContact CG-CG2 3.84Å; F302-I353 HydrophobicContact CZ-CD1 4.04Å; L318-I353 HydrophobicContact CD1-CD1 4.36Å; L318-I353 HydrophobicContact CD2-CD1 4.37Å; L318-I353 HydrophobicContact CD2-CG2 4.18Å; L349-I353 HydrophobicContact CD1-CD1 4Å; L349-I353 HydrophobicContact CD1-CG1 4.27Å; L349-I353 HydrophobicContact CD2-CD1 4.48Å; L349-I353 HydrophobicContact CG-CD1 3.79Å; L349-I353 HydrophobicContact CG-CG1 4.48Å; L349-I353 VanDerWaalsContact O-CG1 3.26Å; L349-I353 WeakPolarHBondContact O-CG1 3.1Å; L349-I353 PolarHBondContact O-N 2.89Å; V350-I353 PolarHBondContact O-N 2.88Å; I353-A355 VanDerWaalsContact C-N 3.29Å; I353-A355 PolarHBondContact O-N 2.78Å; I353-L356 WeakPolarHBondContact O-CB 3.42Å; I353-L356 PolarHBondContact O-N 2.91Å; I353-L356 VanDerWaalsContact O-N 3.14Å; I353-V357 WeakPolarHBondContact O-CG2 3.28Å; I353-V357 PolarHBondContact O-N 3.38Å
354	L	97.9	Very high	97	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-31.6	179.1	-71.3	179.5	0	0	0	112.6	V350 A351 R352 L356 V357 V363 V366 A388 M392	V350-L354 HydrophobicContact CG1-CD1 4.16Å; V350-L354 HydrophobicContact CG1-CG 4.3Å; V350-L354 WeakPolarHBondContact O-CB 3.42Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.45Å; V350-L354 PolarHBondContact O-N 2.98Å; A351-L354 PolarHBondContact O-N 3.29Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.93Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-L356 PolarHBondContact O-N 2.8Å; L354-V357 HydrophobicContact CD2-CG2 4.45Å; L354-V357 PolarHBondContact O-N 3.46Å; L354-V363 HydrophobicContact CD2-CB 4.42Å; L354-V363 HydrophobicContact CD2-CG1 4.22Å; L354-V363 HydrophobicContact CD2-CG2 3.95Å; L354-V366 HydrophobicContact CD2-CG2 4.44Å; L354-A388 HydrophobicContact CD1-CB 3.99Å; L354-M392 HydrophobicContact CB-CE 4.2Å; L354-M392 HydrophobicContact CB-SD 3.57Å; L354-M392 VanDerWaalsContact CB-SD 3.57Å; L354-M392 HydrophobicContact CD1-SD 4.21Å
355	A	97.2	Very high	96.9	Very high	43 Å²	43	26.1 Å²	26.1	36%	0.355	13%	0.129	S	C	.	.	H	α-helix	trans	-66.8	-28.2	173.6	0	0	0	0	0	113	A351 R352 I353 M392	A351-A355 PolarHBondContact O-N 2.91Å; A351-A355 VanDerWaalsContact O-N 3.07Å; R352-A355 WeakPolarHBondContact O-CB 3.5Å; R352-A355 PolarHBondContact O-N 2.88Å; I353-A355 VanDerWaalsContact C-N 3.29Å; I353-A355 PolarHBondContact O-N 2.78Å; A355-M392 HydrophobicContact CB-CE 3.91Å
356	L	97.3	Very high	96.8	Very high	65 Å²	65	25.1 Å²	25.1	34%	0.34	12%	0.12	S	C	.	.	H	α-helix	trans	-80.6	-13.9	177.9	-63.5	171.9	0	0	0	113.5	F302 I303 F306 R352 I353 L354 P358	F302-L356 HydrophobicContact CB-CD1 4.37Å; I303-L356 HydrophobicContact CG1-CD1 3.68Å; I303-L356 HydrophobicContact CG1-CD2 4.31Å; F306-L356 HydrophobicContact CD2-CB 4.07Å; F306-L356 HydrophobicContact CE2-CB 4.34Å; R352-L356 WeakPolarHBondContact O-CG 3.24Å; R352-L356 PolarHBondContact O-N 2.92Å; I353-L356 WeakPolarHBondContact O-CB 3.42Å; I353-L356 PolarHBondContact O-N 2.91Å; I353-L356 VanDerWaalsContact O-N 3.14Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-L356 PolarHBondContact O-N 2.8Å; L356-P358 WeakPolarHBondContact O-CD 3.21Å
357	V	98.1	Very high	96.5	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.03	13%	0.128	C	C	.	.			trans	-66.3	120.7	-172.8	178.9	0	0	0	0	110.1	F306 I353 L354 T361 V363 D401	F306-V357 HydrophobicContact CE2-CG2 4.19Å; F306-V357 HydrophobicContact CZ-CG2 3.93Å; I353-V357 WeakPolarHBondContact O-CG2 3.28Å; I353-V357 PolarHBondContact O-N 3.38Å; L354-V357 HydrophobicContact CD2-CG2 4.45Å; L354-V357 PolarHBondContact O-N 3.46Å; V357-T361 HydrophobicContact CG1-CG2 4.03Å; V357-V363 HydrophobicContact CG1-CG2 4.03Å; V357-V363 HydrophobicContact CG2-CG2 3.8Å; V357-D401 HydrophobicContact CB-CB 4.33Å; V357-D401 HydrophobicContact CG1-CB 3.66Å
358	P	97.8	Very high	96	Very high	14 Å²	14	28.2 Å²	28.2	9%	0.091	13%	0.131	C	C	.	.			trans	-73.6	155.9	-178.2	29.5	-34.9	0	0	0	111.8	F306 L356 W360 T361	F306-P358 HydrophobicContact CD1-CG 4.13Å; L356-P358 WeakPolarHBondContact O-CD 3.21Å; P358-W360 HydrophobicContact CB-CD2 3.72Å; P358-W360 VanDerWaalsContact CB-CE2 3.45Å; P358-W360 HydrophobicContact CB-CE3 3.81Å; P358-W360 HydrophobicContact CB-CH2 3.43Å; P358-W360 VanDerWaalsContact CB-CH2 3.43Å; P358-W360 HydrophobicContact CB-CZ2 3.32Å; P358-W360 HydrophobicContact CB-CZ3 3.67Å; P358-W360 HydrophobicContact CG-CD2 4.06Å; P358-W360 VanDerWaalsContact CG-CE2 3.46Å; P358-W360 HydrophobicContact CG-CH2 4.19Å; P358-W360 HydrophobicContact CG-CZ2 3.55Å; P358-W360 PolarHBondContact O-N 2.67Å; P358-T361 WeakPolarHBondContact CG-OG1 3.5Å; P358-T361 PolarHBondContact O-N 3.14Å
359	P	97.4	Very high	95.4	Very high	21 Å²	21	30.5 Å²	30.5	14%	0.136	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.1	-175.1	-26.8	35.4	0	0	0	116.3	R400 V402	P359-R400 WeakPolarHBondContact CA-O 3.34Å; P359-V402 WeakPolarHBondContact O-CG2 3.45Å
360	W	97.7	Very high	95	Very high	41 Å²	41	30.9 Å²	30.9	16%	0.155	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.5	175.9	61.2	83	0	0	0	113.4	P358 Y428 F437 R453	P358-W360 HydrophobicContact CB-CD2 3.72Å; P358-W360 VanDerWaalsContact CB-CE2 3.45Å; P358-W360 HydrophobicContact CB-CE3 3.81Å; P358-W360 HydrophobicContact CB-CH2 3.43Å; P358-W360 VanDerWaalsContact CB-CH2 3.43Å; P358-W360 HydrophobicContact CB-CZ2 3.32Å; P358-W360 HydrophobicContact CB-CZ3 3.67Å; P358-W360 HydrophobicContact CG-CD2 4.06Å; P358-W360 VanDerWaalsContact CG-CE2 3.46Å; P358-W360 HydrophobicContact CG-CH2 4.19Å; P358-W360 HydrophobicContact CG-CZ2 3.55Å; P358-W360 PolarHBondContact O-N 2.67Å; W360-Y428 HydrophobicContact CB-CE1 4.08Å; W360-Y428 AromaticContact CD1-CE1 3.86Å; W360-Y428 AromaticContact CD1-CZ 3.57Å; W360-Y428 AromaticContact CD2-CD1 3.96Å; W360-Y428 HydrophobicContact CD2-CD1 3.96Å; W360-Y428 AromaticContact CD2-CE1 3.85Å; W360-Y428 HydrophobicContact CD2-CE1 3.85Å; W360-Y428 HydrophobicContact CE3-CD1 4.25Å; W360-Y428 HydrophobicContact CE3-CE1 4.45Å; W360-Y428 HydrophobicContact CG-CD1 4.27Å; W360-Y428 AromaticContact CG-CE1 3.66Å; W360-Y428 HydrophobicContact CG-CE1 3.66Å; W360-Y428 AromaticContact CG-CZ 3.85Å; W360-Y428 HydrophobicContact CZ2-CG 4.34Å; W360-Y428 AromaticContact NE1-CE2 3.87Å; W360-Y428 AromaticContact NE1-CZ 3.84Å; W360-F437 HydrophobicContact CB-CB 3.98Å; W360-F437 HydrophobicContact CB-CD1 4.13Å; W360-F437 HydrophobicContact CB-CD2 3.66Å; W360-F437 HydrophobicContact CB-CE2 4.13Å; W360-F437 HydrophobicContact CB-CG 3.65Å; W360-R453 PolarHBondContact O-NH1 2.9Å; W360-R453 PolarHBondContact O-NH2 3.42Å
361	T	98.3	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.			trans	-104.4	137.9	-177.9	-64	0	0	0	0	111.2	F306 P313 D314 V357 P358 V402	F306-T361 HydrophobicContact CE1-CG2 4.14Å; P313-T361 PolarHBondContact O-OG1 3.22Å; D314-T361 WeakPolarHBondContact O-CA 3.36Å; V357-T361 HydrophobicContact CG1-CG2 4.03Å; P358-T361 WeakPolarHBondContact CG-OG1 3.5Å; P358-T361 PolarHBondContact O-N 3.14Å; T361-V402 PolarHBondContact O-N 3.27Å
362	R	97.6	Very high	94.2	Very high	21 Å²	21	36 Å²	36	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.7	176.2	-172.2	176.6	-178.5	115.7	10.4	111.6	D314 G315 L316 Y364 V402 R403 E406 Y479	D314-R362 PolarHBondContact O-N 2.76Å; G315-R362 CarbonylContact C-O 3.5Å; G315-R362 WeakPolarHBondContact CA-O 3.28Å; L316-R362 PolarHBondContact N-O 2.87Å; R362-Y364 HydrophobicContact CB-CD2 4.5Å; R362-Y364 HydrophobicContact CB-CE2 4.09Å; R362-Y364 HydrophobicContact CG-CD2 4.38Å; R362-Y364 HydrophobicContact CG-CE2 4.21Å; R362-Y364 WeakPolarHBondContact O-CD2 3.48Å; R362-Y364 PolarHBondContact O-N 3.48Å; R362-V402 HydrophobicContact CB-CB 3.94Å; R362-V402 HydrophobicContact CB-CG1 4.28Å; R362-V402 HydrophobicContact CG-CB 4.26Å; R362-V402 HydrophobicContact CG-CG1 4.33Å; R362-R403 HydrophobicContact CG-CB 4.07Å; R362-E406 IonicContact CZ-OE2 2.98Å; R362-E406 IonicContact NH1-OE2 3.11Å; R362-E406 PolarHBondContact NH1-OE2 2.87Å; R362-E406 IonicContact NH2-OE1 3.3Å; R362-E406 IonicContact NH2-OE2 3.59Å; R362-E406 PolarHBondContact NH2-OE2 3.29Å; R362-Y479 PolarHBondContact NH1-OH 2.98Å
363	V	97.2	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.5	169.5	-172.1	0	0	0	0	109.6	L316 L354 V357 V366 R385 D401 R403	L316-V363 WeakPolarHBondContact O-CA 3.34Å; L354-V363 HydrophobicContact CD2-CB 4.42Å; L354-V363 HydrophobicContact CD2-CG1 4.22Å; L354-V363 HydrophobicContact CD2-CG2 3.95Å; V357-V363 HydrophobicContact CG1-CG2 4.03Å; V357-V363 HydrophobicContact CG2-CG2 3.8Å; V363-V366 HydrophobicContact CG1-CG2 3.79Å; V363-R385 PolarHBondContact O-NH1 3.35Å; V363-D401 VanDerWaalsContact CB-OD2 3.24Å; V363-D401 WeakPolarHBondContact CB-OD2 3.44Å; V363-D401 HydrophobicContact CG2-CB 4.06Å; V363-D401 PolarHBondContact N-OD2 3.39Å; V363-D401 VanDerWaalsContact N-OD2 3.08Å; V363-R403 WeakPolarHBondContact O-CD 3.34Å
364	Y	93.7	Very high	93.5	Very high	40 Å²	40	38.8 Å²	38.8	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-40.5	-176.9	-73.7	-91.9	0	0	0	112.6	R243 K281 V283 L316 R362	R243-Y364 PolarHBondContact NH1-OH 3.19Å; K281-Y364 WeakPolarHBondContact CE-OH 2.9Å; K281-Y364 PolarHBondContact NZ-OH 3.1Å; V283-Y364 HydrophobicContact CG1-CD2 4.08Å; V283-Y364 HydrophobicContact CG1-CE2 4.17Å; V283-Y364 HydrophobicContact CG2-CD2 4.3Å; V283-Y364 HydrophobicContact CG2-CE2 3.56Å; L316-Y364 PolarHBondContact O-N 2.78Å; R362-Y364 HydrophobicContact CB-CD2 4.5Å; R362-Y364 HydrophobicContact CB-CE2 4.09Å; R362-Y364 HydrophobicContact CG-CD2 4.38Å; R362-Y364 HydrophobicContact CG-CE2 4.21Å; R362-Y364 WeakPolarHBondContact O-CD2 3.48Å; R362-Y364 PolarHBondContact O-N 3.48Å
365	R	91.8	Very high	93.3	Very high	95 Å²	95	40 Å²	40	36%	0.358	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.3	-177.2	-71.9	-169	175.3	-161	-12.5	111.1	L318 Y319 D369	L318-R365 PolarHBondContact N-O 3.28Å; Y319-R365 HydrophobicContact CE1-CB 3.99Å; R365-D369 IonicContact CZ-OD1 3.76Å; R365-D369 IonicContact CZ-OD2 3.97Å; R365-D369 IonicContact NH1-OD1 3.99Å; R365-D369 IonicContact NH1-OD2 3.24Å; R365-D369 PolarHBondContact NH1-OD2 2.88Å; R365-D369 IonicContact NH2-OD1 3.68Å; R365-D369 IonicContact NH2-OD2 3.96Å; R365-D369 PolarHBondContact NH2-OD2 2.69Å
366	V	92.3	Very high	93.1	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	102.8	169.4	178.9	0	0	0	0	103.6	L318 V350 L354 V363 L384 R385	L318-V366 HydrophobicContact CD2-CG1 4.49Å; L318-V366 CarbonylContact O-C 3.51Å; L318-V366 WeakPolarHBondContact O-CA 3.2Å; V350-V366 HydrophobicContact CG1-CG1 3.68Å; L354-V366 HydrophobicContact CD2-CG2 4.44Å; V363-V366 HydrophobicContact CG1-CG2 3.79Å; V366-L384 HydrophobicContact CG1-CB 4.34Å; V366-L384 HydrophobicContact CG1-CD2 4.04Å; V366-L384 HydrophobicContact CG1-CG 3.98Å; V366-R385 HydrophobicContact CB-CB 4.11Å; V366-R385 HydrophobicContact CG2-CB 4.39Å; V366-R385 HydrophobicContact CG2-CG 4.3Å
367	Q	90.2	Very high	93	Very high	41 Å²	41	38.8 Å²	38.8	19%	0.192	21%	0.205	C	C	.	.	S	Bend	trans	89.4	155.2	-167.7	97.2	-152	3.8	0	0	116.7	L318 Y319 G382 L384	L318-Q367 PolarHBondContact O-N 3.11Å; Y319-Q367 WeakPolarHBondContact CE1-O 3.36Å; Q367-G382 VanDerWaalsContact NE2-C 3.3Å; Q367-G382 PolarHBondContact NE2-O 2.71Å; Q367-L384 HydrophobicContact CB-CD2 4.44Å
368	R	86.8	Confident	92.6	Very high	53 Å²	53	39 Å²	39	20%	0.2	21%	0.208	C	C	.	.			trans	-90.2	157.5	175.7	-61.1	-176.5	87.9	-161.6	-5.1	111.1	S127 Y319 I370	S127-R368 PolarHBondContact O-NH1 2.76Å; S127-R368 PolarHBondContact O-NH2 2.76Å; Y319-R368 HydrophobicContact CD1-CB 4.32Å; Y319-R368 HydrophobicContact CD1-CG 3.28Å; Y319-R368 HydrophobicContact CD2-CG 3.87Å; Y319-R368 HydrophobicContact CE1-CB 4.42Å; Y319-R368 HydrophobicContact CE1-CG 3.61Å; Y319-R368 HydrophobicContact CE2-CG 4.15Å; Y319-R368 HydrophobicContact CG-CG 3.4Å; R368-I370 HydrophobicContact CB-CD1 4.32Å; R368-I370 HydrophobicContact CB-CG1 4.03Å; R368-I370 PolarHBondContact O-N 2.95Å
369	D	84.9	Confident	92.2	Very high	75 Å²	75	38.9 Å²	38.9	40%	0.401	21%	0.207	S	C	.	.			trans	-80.9	43.8	177.6	-69.7	-21.8	0	0	0	112.2	E132 R365	E132-D369 WeakPolarHBondContact CG-O 3.27Å; R365-D369 IonicContact CZ-OD1 3.76Å; R365-D369 IonicContact CZ-OD2 3.97Å; R365-D369 IonicContact NH1-OD1 3.99Å; R365-D369 IonicContact NH1-OD2 3.24Å; R365-D369 PolarHBondContact NH1-OD2 2.88Å; R365-D369 IonicContact NH2-OD1 3.68Å; R365-D369 IonicContact NH2-OD2 3.96Å; R365-D369 PolarHBondContact NH2-OD2 2.69Å
370	I	88.6	Confident	91.4	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.051	23%	0.228	C	C	.	.			trans	-88.4	129.4	179.6	-61.2	-174.9	0	0	0	109	T129 L322 I324 R368 M372 V375	T129-I370 HydrophobicContact CG2-CG2 4.48Å; L322-I370 HydrophobicContact CD1-CB 4.28Å; L322-I370 HydrophobicContact CD1-CD1 4.13Å; I324-I370 HydrophobicContact CD1-CD1 3.55Å; I324-I370 HydrophobicContact CD1-CG2 4.27Å; R368-I370 HydrophobicContact CB-CD1 4.32Å; R368-I370 HydrophobicContact CB-CG1 4.03Å; R368-I370 PolarHBondContact O-N 2.95Å; I370-M372 WeakPolarHBondContact O-CE 3.38Å; I370-M372 PolarHBondContact O-N 3.25Å; I370-V375 HydrophobicContact CG2-CG2 3.99Å
371	P	89	Confident	90.6	Very high	39 Å²	39	46.3 Å²	46.3	25%	0.253	24%	0.241	S	C	.	.			trans	-58.6	126.7	174.7	-24.6	33.7	0	0	0	111.9	P373 L374	P371-P373 VanDerWaalsContact C-N 3.31Å; P371-L374 HydrophobicContact CB-CD1 4.27Å; P371-L374 HydrophobicContact CB-CG 4.41Å; P371-L374 HydrophobicContact CG-CD1 4.21Å; P371-L374 WeakPolarHBondContact O-CB 3.35Å; P371-L374 PolarHBondContact O-N 3.42Å
372	M	88.3	Confident	89.9	Confident	69 Å²	69	48.9 Å²	48.9	34%	0.34	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-54.1	-35.1	-179.6	-61.1	-64.8	91.6	0	0	114.8	I370 L374 V375	I370-M372 WeakPolarHBondContact O-CE 3.38Å; I370-M372 PolarHBondContact O-N 3.25Å; M372-L374 PolarHBondContact O-N 3.1Å; M372-V375 HydrophobicContact CE-CG2 4.01Å; M372-V375 PolarHBondContact O-N 3.26Å
373	P	90.4	Very high	89.5	Confident	126 Å²	126	51 Å²	51	82%	0.818	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.9	-16.2	175.4	-26.5	36.4	0	0	0	115.3	P371	P371-P373 VanDerWaalsContact C-N 3.31Å
374	L	91.1	Very high	89.3	Confident	46 Å²	46	51.2 Å²	51.2	24%	0.241	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-93.3	-9	177.4	-58.5	177.2	0	0	0	113.2	F121 T129 Y131 P371 M372	F121-L374 HydrophobicContact CE1-CD1 4.43Å; F121-L374 HydrophobicContact CE1-CD2 4.45Å; T129-L374 HydrophobicContact CG2-CD1 4Å; T129-L374 WeakPolarHBondContact OG1-CD1 3.34Å; Y131-L374 HydrophobicContact CD2-CD1 3.66Å; Y131-L374 HydrophobicContact CD2-CD2 4.49Å; Y131-L374 HydrophobicContact CG-CD1 4.12Å; P371-L374 HydrophobicContact CB-CD1 4.27Å; P371-L374 HydrophobicContact CB-CG 4.41Å; P371-L374 HydrophobicContact CG-CD1 4.21Å; P371-L374 WeakPolarHBondContact O-CB 3.35Å; P371-L374 PolarHBondContact O-N 3.42Å; M372-L374 PolarHBondContact O-N 3.1Å
375	V	93.1	Very high	89.3	Confident	27 Å²	27	51.5 Å²	51.5	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.7	-176.4	179.3	0	0	0	0	108.8	L322 I370 M372 S377	L322-V375 HydrophobicContact CB-CG1 4.39Å; L322-V375 HydrophobicContact CD1-CG2 4.11Å; L322-V375 HydrophobicContact CD2-CG1 3.97Å; I370-V375 HydrophobicContact CG2-CG2 3.99Å; M372-V375 HydrophobicContact CE-CG2 4.01Å; M372-V375 PolarHBondContact O-N 3.26Å; V375-S377 WeakPolarHBondContact CG1-O 3.44Å
376	S	94.1	Very high	89.3	Confident	50 Å²	50	53.2 Å²	53.2	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-32.2	178.4	-53.6	0	0	0	0	112.6	V323	V323-S376 PolarHBondContact O-N 2.92Å
377	S	94.1	Very high	89.5	Confident	32 Å²	32	55.5 Å²	55.5	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154.2	176.7	-174.8	0	0	0	0	110.5	V323 S340 V375	V323-S377 PolarHBondContact N-O 3.45Å; S340-S377 WeakPolarHBondContact CB-OG 3.43Å; S340-S377 PolarHBondContact OG-OG 2.66Å; V375-S377 WeakPolarHBondContact CG1-O 3.44Å
378	G	91.2	Very high	89.7	Confident	10 Å²	10	53.5 Å²	53.5	10%	0.103	30%	0.297	C	S	.	.	S	Bend	trans	125.2	-129.3	-178.4	0	0	0	0	0	111.2	E380	G378-E380 PolarHBondContact O-N 2.62Å
379	V	88.2	Confident	90.1	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	30%	0.302	C	S	.	.			trans	-68.9	126.2	-179.7	-174.7	0	0	0	0	111	P320 L322 L346 H381 L384	P320-V379 HydrophobicContact CB-CG2 3.83Å; P320-V379 HydrophobicContact CG-CG2 4.27Å; L322-V379 HydrophobicContact CD2-CB 3.84Å; L322-V379 HydrophobicContact CD2-CG2 3.77Å; L346-V379 HydrophobicContact CD2-CG2 3.7Å; V379-H381 VanDerWaalsContact CG1-O 3.25Å; V379-H381 WeakPolarHBondContact CG1-O 3.2Å; V379-L384 HydrophobicContact CG1-CD2 4.38Å; V379-L384 HydrophobicContact CG2-CD2 4.26Å
380	E	82	Confident	90.6	Very high	126 Å²	126	52.9 Å²	52.9	59%	0.589	31%	0.305	S	S	*	.			trans	-93.8	-21	178.9	-68	-176.9	-176.4	0	0	114.1	P343 G378	P343-E380 HydrophobicContact CG-CB 4.35Å; P343-E380 HydrophobicContact CG-CG 3.83Å; P343-E380 WeakPolarHBondContact CG-OE1 3.34Å; P343-E380 WeakPolarHBondContact CG-OE2 3.34Å; G378-E380 PolarHBondContact O-N 2.62Å
381	H	80.4	Confident	91	Very high	93 Å²	93	56.3 Å²	56.3	43%	0.431	32%	0.317	S	S	.	.			trans	-122.2	135.9	-172.9	-56	-37.5	0	0	0	112.3	V379 N383 L387	V379-H381 VanDerWaalsContact CG1-O 3.25Å; V379-H381 WeakPolarHBondContact CG1-O 3.2Å; H381-N383 WeakPolarHBondContact CB-OD1 3.24Å; H381-N383 PolarHBondContact O-N 2.79Å; H381-L387 HydrophobicContact CB-CD1 4.1Å
382	G	83	Confident	91.3	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	7.2	178.6	0	0	0	0	0	115.3	Q367	Q367-G382 VanDerWaalsContact NE2-C 3.3Å; Q367-G382 PolarHBondContact NE2-O 2.71Å
383	N	89.1	Confident	91.6	Very high	65 Å²	65	59.6 Å²	59.6	35%	0.348	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	35.1	-177.5	68.7	-29.7	0	0	0	113.1	H381 R385 E386 L387	H381-N383 WeakPolarHBondContact CB-OD1 3.24Å; H381-N383 PolarHBondContact O-N 2.79Å; N383-R385 PolarHBondContact O-N 2.91Å; N383-R385 VanDerWaalsContact O-N 3.1Å; N383-E386 HydrophobicContact CB-CB 4.48Å; N383-E386 PolarHBondContact ND2-OE2 2.84Å; N383-E386 PolarHBondContact O-N 2.91Å; N383-L387 PolarHBondContact O-N 3.42Å
384	L	93.1	Very high	91.8	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-53.1	-35.5	-175.5	-174.3	59.1	0	0	0	114.2	P320 L346 V347 V350 V366 Q367 V379 E386 L387 A388	P320-L384 HydrophobicContact CG-CD2 3.79Å; L346-L384 HydrophobicContact CD2-CD2 4.35Å; V347-L384 HydrophobicContact CG2-CD1 3.73Å; V350-L384 HydrophobicContact CG2-CD2 4.28Å; V366-L384 HydrophobicContact CG1-CB 4.34Å; V366-L384 HydrophobicContact CG1-CD2 4.04Å; V366-L384 HydrophobicContact CG1-CG 3.98Å; Q367-L384 HydrophobicContact CB-CD2 4.44Å; V379-L384 HydrophobicContact CG1-CD2 4.38Å; V379-L384 HydrophobicContact CG2-CD2 4.26Å; L384-E386 PolarHBondContact O-N 3.09Å; L384-L387 PolarHBondContact O-N 3.41Å; L384-A388 WeakPolarHBondContact O-CB 3.41Å; L384-A388 PolarHBondContact O-N 2.95Å
385	R	93.4	Very high	91.9	Very high	47 Å²	47	60.5 Å²	60.5	18%	0.177	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-43	176	-170.8	174.8	-175.9	123.9	2.5	112.3	V363 V366 N383 A388 L389 D401 T404	V363-R385 PolarHBondContact O-NH1 3.35Å; V366-R385 HydrophobicContact CB-CB 4.11Å; V366-R385 HydrophobicContact CG2-CB 4.39Å; V366-R385 HydrophobicContact CG2-CG 4.3Å; N383-R385 PolarHBondContact O-N 2.91Å; N383-R385 VanDerWaalsContact O-N 3.1Å; R385-A388 PolarHBondContact O-N 3.27Å; R385-L389 HydrophobicContact CG-CD1 4.2Å; R385-L389 VanDerWaalsContact O-CG 3.29Å; R385-L389 WeakPolarHBondContact O-CG 3.47Å; R385-L389 PolarHBondContact O-N 3.31Å; R385-D401 IonicContact NH2-OD1 2.62Å; R385-D401 IonicContact NH2-OD2 3.2Å; R385-D401 PolarHBondContact NH2-OD2 3Å; R385-T404 PolarHBondContact NH2-OG1 2.88Å
386	E	92.9	Very high	92	Very high	130 Å²	130	62.6 Å²	62.6	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-68.4	-42.4	-178.5	-66.3	173.7	178.7	0	0	110.6	N383 L384 L389 A390	N383-E386 HydrophobicContact CB-CB 4.48Å; N383-E386 PolarHBondContact ND2-OE2 2.84Å; N383-E386 PolarHBondContact O-N 2.91Å; L384-E386 PolarHBondContact O-N 3.09Å; E386-L389 PolarHBondContact O-N 2.95Å; E386-A390 WeakPolarHBondContact O-CB 3.43Å; E386-A390 PolarHBondContact O-N 3.47Å
387	L	95.1	Very high	92.1	Very high	57 Å²	57	62.5 Å²	62.5	30%	0.298	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.9	-63.9	174.4	0	0	0	111.8	V347 H381 N383 L384 A390 R391	V347-L387 HydrophobicContact CG1-CB 4.14Å; V347-L387 HydrophobicContact CG2-CB 3.99Å; V347-L387 HydrophobicContact CG2-CD1 4.31Å; H381-L387 HydrophobicContact CB-CD1 4.1Å; N383-L387 PolarHBondContact O-N 3.42Å; L384-L387 PolarHBondContact O-N 3.41Å; L387-A390 PolarHBondContact O-N 2.85Å; L387-R391 WeakPolarHBondContact O-CB 3.47Å; L387-R391 PolarHBondContact O-N 2.81Å
388	A	95.9	Very high	92	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-43.4	177	0	0	0	0	0	112.1	V350 L354 L384 R385 A390 R391 M392	V350-A388 HydrophobicContact CB-CB 4.16Å; V350-A388 HydrophobicContact CG1-CB 3.6Å; L354-A388 HydrophobicContact CD1-CB 3.99Å; L384-A388 WeakPolarHBondContact O-CB 3.41Å; L384-A388 PolarHBondContact O-N 2.95Å; R385-A388 PolarHBondContact O-N 3.27Å; A388-A390 PolarHBondContact O-N 3.11Å; A388-R391 PolarHBondContact O-N 3.25Å; A388-M392 VanDerWaalsContact O-CG 3.29Å; A388-M392 WeakPolarHBondContact O-CG 3.4Å; A388-M392 PolarHBondContact O-N 3.07Å
389	L	94.9	Very high	92.1	Very high	59 Å²	59	68 Å²	68	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-39.2	177.1	-70.6	173.2	0	0	0	112.4	R385 E386 R391 M392 K393 C399	R385-L389 HydrophobicContact CG-CD1 4.2Å; R385-L389 VanDerWaalsContact O-CG 3.29Å; R385-L389 WeakPolarHBondContact O-CG 3.47Å; R385-L389 PolarHBondContact O-N 3.31Å; E386-L389 PolarHBondContact O-N 2.95Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-M392 HydrophobicContact CD2-SD 4.21Å; L389-M392 PolarHBondContact O-N 3.23Å; L389-K393 PolarHBondContact O-N 3.3Å; L389-C399 HydrophobicContact CD2-CB 3.8Å
390	A	95.1	Very high	92.4	Very high	55 Å²	55	72.4 Å²	72.4	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-44.9	173	0	0	0	0	0	111	E386 L387 A388 M392 K393 D394	E386-A390 WeakPolarHBondContact O-CB 3.43Å; E386-A390 PolarHBondContact O-N 3.47Å; L387-A390 PolarHBondContact O-N 2.85Å; A388-A390 PolarHBondContact O-N 3.11Å; A390-M392 VanDerWaalsContact C-N 3.34Å; A390-M392 PolarHBondContact O-N 3.21Å; A390-K393 VanDerWaalsContact O-CB 3.29Å; A390-K393 WeakPolarHBondContact O-CB 3.15Å; A390-K393 PolarHBondContact O-N 3.08Å; A390-K393 VanDerWaalsContact O-N 3.14Å; A390-D394 PolarHBondContact O-N 3.21Å
391	R	96.2	Very high	93.1	Very high	83 Å²	83	66.4 Å²	66.4	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-39.4	177.1	178.8	60.5	-174.2	126.9	4.4	112.8	V347 D348 A351 L387 A388 L389 K393 D394 M395	V347-R391 HydrophobicContact CG1-CB 3.84Å; V347-R391 HydrophobicContact CG1-CG 4.22Å; D348-R391 IonicContact OD1-CZ 3.96Å; D348-R391 VanDerWaalsContact OD1-CZ 3.25Å; D348-R391 IonicContact OD1-NE 3.23Å; D348-R391 PolarHBondContact OD1-NE 2.82Å; D348-R391 IonicContact OD1-NH2 2.72Å; D348-R391 PolarHBondContact OD1-NH2 3.22Å; A351-R391 HydrophobicContact CB-CB 4.09Å; A351-R391 HydrophobicContact CB-CG 3.83Å; L387-R391 WeakPolarHBondContact O-CB 3.47Å; L387-R391 PolarHBondContact O-N 2.81Å; A388-R391 PolarHBondContact O-N 3.25Å; L389-R391 VanDerWaalsContact C-N 3.35Å; R391-K393 VanDerWaalsContact C-N 3.27Å; R391-K393 PolarHBondContact O-N 3.1Å; R391-D394 WeakPolarHBondContact O-CB 3.26Å; R391-D394 PolarHBondContact O-N 3.27Å; R391-M395 HydrophobicContact CG-SD 4.19Å; R391-M395 WeakPolarHBondContact O-CG 3.44Å; R391-M395 PolarHBondContact O-N 3Å; R391-M395 VanDerWaalsContact O-N 3.11Å
392	M	96.3	Very high	93.8	Very high	3 Å²	3	62 Å²	62	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-38.2	175	-71.8	179.3	74.4	0	0	112.2	A351 L354 A355 A388 L389 A390 D394 M395 G396 T397 C399	A351-M392 HydrophobicContact CB-CG 3.62Å; L354-M392 HydrophobicContact CB-CE 4.2Å; L354-M392 HydrophobicContact CB-SD 3.57Å; L354-M392 VanDerWaalsContact CB-SD 3.57Å; L354-M392 HydrophobicContact CD1-SD 4.21Å; A355-M392 HydrophobicContact CB-CE 3.91Å; A388-M392 VanDerWaalsContact O-CG 3.29Å; A388-M392 WeakPolarHBondContact O-CG 3.4Å; A388-M392 PolarHBondContact O-N 3.07Å; L389-M392 HydrophobicContact CD2-SD 4.21Å; L389-M392 PolarHBondContact O-N 3.23Å; A390-M392 VanDerWaalsContact C-N 3.34Å; A390-M392 PolarHBondContact O-N 3.21Å; M392-D394 VanDerWaalsContact C-N 3.34Å; M392-M395 CarbonylContact O-C 3.41Å; M392-M395 WeakPolarHBondContact O-CA 3.19Å; M392-M395 WeakPolarHBondContact O-CB 3.2Å; M392-M395 PolarHBondContact O-N 3.13Å; M392-M395 VanDerWaalsContact O-N 3.11Å; M392-G396 PolarHBondContact O-N 3.34Å; M392-G396 VanDerWaalsContact O-N 3.11Å; M392-T397 CarbonylContact C-O 3.57Å; M392-T397 PolarHBondContact O-N 3.41Å; M392-T397 PolarHBondContact O-OG1 3.3Å; M392-C399 HydrophobicContact CE-CB 3.77Å; M392-C399 VanDerWaalsContact CE-N 3.33Å; M392-C399 HydrophobicContact SD-CB 3.93Å
393	K	94.5	Very high	94.3	Very high	174 Å²	174	62.5 Å²	62.5	76%	0.757	32%	0.32	S	S	*	.	H	α-helix	trans	-61.7	-42.8	175	-170.8	-177.1	179.1	-177.2	0	111.5	L389 A390 R391 M395 G396	L389-K393 PolarHBondContact O-N 3.3Å; A390-K393 VanDerWaalsContact O-CB 3.29Å; A390-K393 WeakPolarHBondContact O-CB 3.15Å; A390-K393 PolarHBondContact O-N 3.08Å; A390-K393 VanDerWaalsContact O-N 3.14Å; R391-K393 VanDerWaalsContact C-N 3.27Å; R391-K393 PolarHBondContact O-N 3.1Å; K393-M395 PolarHBondContact O-N 3.12Å; K393-G396 PolarHBondContact O-N 3Å; K393-G396 VanDerWaalsContact O-N 3.1Å
394	D	94.7	Very high	94.4	Very high	123 Å²	123	60.8 Å²	60.8	66%	0.658	31%	0.312	S	S	*	.	H	α-helix	trans	-65.1	-26.5	175.9	-57.2	-27.2	0	0	0	112.3	A390 R391 M392	A390-D394 PolarHBondContact O-N 3.21Å; R391-D394 WeakPolarHBondContact O-CB 3.26Å; R391-D394 PolarHBondContact O-N 3.27Å; M392-D394 VanDerWaalsContact C-N 3.34Å
395	M	93.7	Very high	94.3	Very high	67 Å²	67	60.8 Å²	60.8	33%	0.33	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.4	175.7	-64.5	172.1	64.2	0	0	113.5	A351 R352 R391 M392 K393 T397	A351-M395 HydrophobicContact CB-SD 4.21Å; R352-M395 HydrophobicContact CG-CE 3.97Å; R391-M395 HydrophobicContact CG-SD 4.19Å; R391-M395 WeakPolarHBondContact O-CG 3.44Å; R391-M395 PolarHBondContact O-N 3Å; R391-M395 VanDerWaalsContact O-N 3.11Å; M392-M395 CarbonylContact O-C 3.41Å; M392-M395 WeakPolarHBondContact O-CA 3.19Å; M392-M395 WeakPolarHBondContact O-CB 3.2Å; M392-M395 PolarHBondContact O-N 3.13Å; M392-M395 VanDerWaalsContact O-N 3.11Å; K393-M395 PolarHBondContact O-N 3.12Å; M395-T397 VanDerWaalsContact C-N 3.3Å; M395-T397 HydrophobicContact CB-CG2 4.38Å; M395-T397 PolarHBondContact O-N 3.03Å
396	G	95	Very high	94.2	Very high	71 Å²	71	58.7 Å²	58.7	73%	0.732	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	28.7	-174	0	0	0	0	0	113.7	M392 K393	M392-G396 PolarHBondContact O-N 3.34Å; M392-G396 VanDerWaalsContact O-N 3.11Å; K393-G396 PolarHBondContact O-N 3Å; K393-G396 VanDerWaalsContact O-N 3.1Å
397	T	94.9	Very high	93.8	Very high	49 Å²	49	53.2 Å²	53.2	30%	0.301	28%	0.28	S	S	.	.			trans	-117.3	153.4	179.9	57.1	0	0	0	0	111.2	M392 M395	M392-T397 CarbonylContact C-O 3.57Å; M392-T397 PolarHBondContact O-N 3.41Å; M392-T397 PolarHBondContact O-OG1 3.3Å; M395-T397 VanDerWaalsContact C-N 3.3Å; M395-T397 HydrophobicContact CB-CG2 4.38Å; M395-T397 PolarHBondContact O-N 3.03Å
398	E	92.3	Very high	92.9	Very high	145 Å²	145	51.3 Å²	51.3	68%	0.678	27%	0.273	S	S	*	.			trans	-120.5	143.7	-178	-63.9	-172.5	160.9	0	0	111.9	R400	E398-R400 PolarHBondContact O-N 3.28Å
399	C	94.1	Very high	92.2	Very high	13 Å²	13	52.1 Å²	52.1	9%	0.088	28%	0.277	C	S	.	.			trans	-88.3	106.2	175.9	179.2	0	0	0	0	109.2	L389 M392 D401	L389-C399 HydrophobicContact CD2-CB 3.8Å; M392-C399 HydrophobicContact CE-CB 3.77Å; M392-C399 VanDerWaalsContact CE-N 3.33Å; M392-C399 HydrophobicContact SD-CB 3.93Å; C399-D401 VanDerWaalsContact C-N 3.31Å; C399-D401 PolarHBondContact O-N 2.82Å
400	R	94.5	Very high	91.6	Very high	102 Å²	102	50.6 Å²	50.6	39%	0.385	27%	0.269	S	S	.	.			trans	-94.2	24.6	-178.8	-57.6	-165.3	74	-176.3	3	113.6	P359 E398 R405 D446	P359-R400 WeakPolarHBondContact CA-O 3.34Å; E398-R400 PolarHBondContact O-N 3.28Å; R400-R405 WeakPolarHBondContact O-CD 3.23Å; R400-D446 IonicContact CZ-OD1 3.54Å; R400-D446 IonicContact CZ-OD2 3.17Å; R400-D446 IonicContact NE-OD1 3.93Å; R400-D446 IonicContact NE-OD2 2.69Å; R400-D446 PolarHBondContact NE-OD2 2.9Å; R400-D446 IonicContact NH2-OD1 2.97Å; R400-D446 PolarHBondContact NH2-OD1 3.34Å; R400-D446 IonicContact NH2-OD2 3.14Å
401	D	95.8	Very high	90.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.			trans	-67.6	153.5	176.6	91.5	-31.9	0	0	0	112	V357 V363 R385 C399 R403 T404 R405	V357-D401 HydrophobicContact CB-CB 4.33Å; V357-D401 HydrophobicContact CG1-CB 3.66Å; V363-D401 VanDerWaalsContact CB-OD2 3.24Å; V363-D401 WeakPolarHBondContact CB-OD2 3.44Å; V363-D401 HydrophobicContact CG2-CB 4.06Å; V363-D401 PolarHBondContact N-OD2 3.39Å; V363-D401 VanDerWaalsContact N-OD2 3.08Å; R385-D401 IonicContact NH2-OD1 2.62Å; R385-D401 IonicContact NH2-OD2 3.2Å; R385-D401 PolarHBondContact NH2-OD2 3Å; C399-D401 VanDerWaalsContact C-N 3.31Å; C399-D401 PolarHBondContact O-N 2.82Å; D401-R403 PolarHBondContact O-N 3.39Å; D401-R403 VanDerWaalsContact O-N 3.08Å; D401-R403 PolarHBondContact OD1-N 2.78Å; D401-R403 WeakPolarHBondContact OD2-CB 3.45Å; D401-T404 PolarHBondContact O-N 3.36Å; D401-T404 WeakPolarHBondContact OD1-CA 3.3Å; D401-T404 WeakPolarHBondContact OD1-CB 3.49Å; D401-T404 PolarHBondContact OD1-N 2.82Å; D401-T404 PolarHBondContact OD1-OG1 3.37Å; D401-R405 WeakPolarHBondContact O-CG 3.47Å; D401-R405 PolarHBondContact O-N 2.61Å
402	V	95.6	Very high	89.7	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-54.3	-33.2	180	166.8	0	0	0	0	112.6	P359 T361 R362 E406 F437 L448 L451 Y479	P359-V402 WeakPolarHBondContact O-CG2 3.45Å; T361-V402 PolarHBondContact O-N 3.27Å; R362-V402 HydrophobicContact CB-CB 3.94Å; R362-V402 HydrophobicContact CB-CG1 4.28Å; R362-V402 HydrophobicContact CG-CB 4.26Å; R362-V402 HydrophobicContact CG-CG1 4.33Å; V402-E406 PolarHBondContact O-N 3.03Å; V402-F437 HydrophobicContact CG2-CZ 4.28Å; V402-L448 HydrophobicContact CB-CD2 4.29Å; V402-L448 HydrophobicContact CG1-CD2 3.76Å; V402-L448 HydrophobicContact CG2-CD2 4.37Å; V402-L451 HydrophobicContact CG1-CD2 3.69Å; V402-L451 HydrophobicContact CG2-CD2 4.49Å; V402-Y479 WeakPolarHBondContact CG1-OH 3.49Å
403	R	92.5	Very high	88.8	Confident	63 Å²	63	56.1 Å²	56.1	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-76.6	-36.3	-175.2	179.6	178	171.5	84.7	4.1	112.5	R362 V363 D401 E406	R362-R403 HydrophobicContact CG-CB 4.07Å; V363-R403 WeakPolarHBondContact O-CD 3.34Å; D401-R403 PolarHBondContact O-N 3.39Å; D401-R403 VanDerWaalsContact O-N 3.08Å; D401-R403 PolarHBondContact OD1-N 2.78Å; D401-R403 WeakPolarHBondContact OD2-CB 3.45Å; R403-E406 WeakPolarHBondContact O-CG 3.33Å
404	T	91.1	Very high	88	Confident	30 Å²	30	53.6 Å²	53.6	18%	0.184	28%	0.28	C	S	.	.	H	α-helix	trans	-75.5	-33.2	-178.8	-54.6	0	0	0	0	110.1	R385 D401 Q410	R385-T404 PolarHBondContact NH2-OG1 2.88Å; D401-T404 PolarHBondContact O-N 3.36Å; D401-T404 WeakPolarHBondContact OD1-CA 3.3Å; D401-T404 WeakPolarHBondContact OD1-CB 3.49Å; D401-T404 PolarHBondContact OD1-N 2.82Å; D401-T404 PolarHBondContact OD1-OG1 3.37Å; T404-Q410 PolarHBondContact O-NE2 3.08Å
405	R	92.8	Very high	87.2	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-80.3	-16.9	-179.9	-60.8	167.9	73.4	-137.4	0.3	113.8	R400 D401 V407 E441 D446 I447 L448	R400-R405 WeakPolarHBondContact O-CD 3.23Å; D401-R405 WeakPolarHBondContact O-CG 3.47Å; D401-R405 PolarHBondContact O-N 2.61Å; R405-V407 PolarHBondContact O-N 2.92Å; R405-E441 IonicContact CZ-OE1 3.51Å; R405-E441 IonicContact CZ-OE2 3.53Å; R405-E441 IonicContact NH1-OE1 2.78Å; R405-E441 PolarHBondContact NH1-OE1 2.9Å; R405-E441 IonicContact NH1-OE2 3.58Å; R405-E441 IonicContact NH2-OE1 2.8Å; R405-E441 PolarHBondContact NH2-OE1 2.9Å; R405-E441 VanDerWaalsContact NH2-OE1 3.09Å; R405-E441 IonicContact NH2-OE2 3.34Å; R405-E441 PolarHBondContact NH2-OE2 2.79Å; R405-D446 WeakPolarHBondContact CB-O 3.01Å; R405-D446 WeakPolarHBondContact CG-O 3.19Å; R405-D446 IonicContact CZ-OD1 3.2Å; R405-D446 IonicContact NE-OD1 2.73Å; R405-D446 PolarHBondContact NE-OD1 3.07Å; R405-D446 IonicContact NE-OD2 2.88Å; R405-D446 PolarHBondContact NE-OD2 3.3Å; R405-D446 VanDerWaalsContact NE-OD2 3.14Å; R405-D446 IonicContact NH2-OD1 3.97Å; R405-D446 PolarHBondContact NH2-OD1 3.46Å; R405-I447 CarbonylContact O-C 3.5Å; R405-I447 WeakPolarHBondContact O-CA 3.47Å; R405-L448 HydrophobicContact CB-CB 3.96Å; R405-L448 PolarHBondContact O-N 3.46Å
406	E	89.9	Confident	86.4	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.019	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-61.2	132.8	-174.2	78	-168.5	-154.4	0	0	112.6	R362 V402 R403 G408 I409 Q410 Y479	R362-E406 IonicContact CZ-OE2 2.98Å; R362-E406 IonicContact NH1-OE2 3.11Å; R362-E406 PolarHBondContact NH1-OE2 2.87Å; R362-E406 IonicContact NH2-OE1 3.3Å; R362-E406 IonicContact NH2-OE2 3.59Å; R362-E406 PolarHBondContact NH2-OE2 3.29Å; V402-E406 PolarHBondContact O-N 3.03Å; R403-E406 WeakPolarHBondContact O-CG 3.33Å; E406-G408 PolarHBondContact O-N 3.38Å; E406-I409 HydrophobicContact CG-CB 3.78Å; E406-I409 HydrophobicContact CG-CG1 3.36Å; E406-I409 PolarHBondContact O-N 2.78Å; E406-I409 WeakPolarHBondContact OE1-CG1 3.22Å; E406-Q410 PolarHBondContact O-N 2.86Å; E406-Q410 VanDerWaalsContact O-N 3.1Å; E406-Y479 HydrophobicContact CB-CD1 4Å; E406-Y479 HydrophobicContact CB-CD2 4.09Å; E406-Y479 HydrophobicContact CB-CE1 3.98Å; E406-Y479 HydrophobicContact CB-CE2 4.07Å; E406-Y479 HydrophobicContact CB-CG 4.07Å; E406-Y479 HydrophobicContact CG-CE1 4.49Å; E406-Y479 WeakPolarHBondContact OE2-CE1 3.41Å
407	V	84	Confident	85.4	Confident	15 Å²	15	60 Å²	60	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-52.2	-35.6	-175.3	66	0	0	0	0	113.6	R405 I409 Q410 E411 P418 I447 L448	R405-V407 PolarHBondContact O-N 2.92Å; V407-I409 VanDerWaalsContact C-N 3.33Å; V407-I409 PolarHBondContact O-N 2.89Å; V407-Q410 PolarHBondContact O-N 3.15Å; V407-E411 WeakPolarHBondContact O-CB 3.33Å; V407-E411 PolarHBondContact O-N 3.18Å; V407-P418 HydrophobicContact CG2-CG 4.29Å; V407-I447 HydrophobicContact CB-CG2 3.88Å; V407-I447 HydrophobicContact CG2-CG2 4.15Å; V407-L448 PolarHBondContact N-O 3.07Å
408	G	77.4	Confident	84.6	Confident	16 Å²	16	59 Å²	59	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-30.9	178.5	0	0	0	0	0	113.7	E406 I412	E406-G408 PolarHBondContact O-N 3.38Å; G408-I412 WeakPolarHBondContact O-CB 3.3Å; G408-I412 VanDerWaalsContact O-CD1 3.24Å; G408-I412 WeakPolarHBondContact O-CD1 3.38Å; G408-I412 WeakPolarHBondContact O-CG1 3.23Å; G408-I412 PolarHBondContact O-N 3.33Å
409	I	80.9	Confident	84	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-79.1	-42.5	175.7	-67.3	-68.6	0	0	0	109.6	I82 E406 V407 E411 I412 H413	I82-I409 HydrophobicContact CG1-CD1 4.42Å; I82-I409 HydrophobicContact CG2-CD1 3.79Å; E406-I409 HydrophobicContact CG-CB 3.78Å; E406-I409 HydrophobicContact CG-CG1 3.36Å; E406-I409 PolarHBondContact O-N 2.78Å; E406-I409 WeakPolarHBondContact OE1-CG1 3.22Å; V407-I409 VanDerWaalsContact C-N 3.33Å; V407-I409 PolarHBondContact O-N 2.89Å; I409-E411 PolarHBondContact O-N 2.73Å; I409-I412 PolarHBondContact O-N 2.85Å; I409-H413 WeakPolarHBondContact O-CB 3.36Å; I409-H413 PolarHBondContact O-CD2 3.49Å; I409-H413 PolarHBondContact O-N 2.79Å
410	Q	82.6	Confident	83.6	Confident	28 Å²	28	62 Å²	62	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-42.1	177	-68.9	-65	-25.7	0	0	112.2	T404 E406 V407 H414 K415 I447	T404-Q410 PolarHBondContact O-NE2 3.08Å; E406-Q410 PolarHBondContact O-N 2.86Å; E406-Q410 VanDerWaalsContact O-N 3.1Å; V407-Q410 PolarHBondContact O-N 3.15Å; Q410-H414 CarbonylContact O-C 3.58Å; Q410-H414 WeakPolarHBondContact O-CA 3.39Å; Q410-H414 WeakPolarHBondContact O-CB 3.34Å; Q410-H414 PolarHBondContact O-N 3.22Å; Q410-H414 PolarHBondContact OE1-CD2 3.13Å; Q410-K415 PolarHBondContact O-N 3.26Å; Q410-K415 VanDerWaalsContact O-N 3.11Å; Q410-I447 HydrophobicContact CB-CD1 4.4Å; Q410-I447 HydrophobicContact CB-CG1 4.49Å; Q410-I447 HydrophobicContact CG-CG1 4.17Å; Q410-I447 HydrophobicContact CG-CG2 4.48Å
411	E	76.9	Confident	83.3	Confident	77 Å²	77	59.7 Å²	59.7	36%	0.36	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-39.6	175.7	-171.4	174	-155.4	0	0	111.9	V407 I409 K415 R417	V407-E411 WeakPolarHBondContact O-CB 3.33Å; V407-E411 PolarHBondContact O-N 3.18Å; I409-E411 PolarHBondContact O-N 2.73Å; E411-K415 VanDerWaalsContact O-CA 3.26Å; E411-K415 WeakPolarHBondContact O-CA 3.49Å; E411-K415 PolarHBondContact O-N 2.98Å; E411-K415 VanDerWaalsContact O-N 3.17Å; E411-R417 IonicContact OE1-CZ 3.14Å; E411-R417 IonicContact OE1-NE 3.57Å; E411-R417 PolarHBondContact OE1-NE 3.33Å; E411-R417 IonicContact OE1-NH2 2.81Å; E411-R417 PolarHBondContact OE1-NH2 2.81Å
412	I	74.3	Confident	83.2	Confident	71 Å²	71	63.8 Å²	63.8	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-69.4	-44.2	179.9	-71.2	169.8	0	0	0	111.9	I82 A85 G408 I409	I82-I412 HydrophobicContact CG1-CD1 4.18Å; I82-I412 HydrophobicContact CG1-CG2 4.25Å; A85-I412 HydrophobicContact CB-CD1 3.83Å; G408-I412 WeakPolarHBondContact O-CB 3.3Å; G408-I412 VanDerWaalsContact O-CD1 3.24Å; G408-I412 WeakPolarHBondContact O-CD1 3.38Å; G408-I412 WeakPolarHBondContact O-CG1 3.23Å; G408-I412 PolarHBondContact O-N 3.33Å; I409-I412 PolarHBondContact O-N 2.85Å
413	H	77.3	Confident	83.2	Confident	109 Å²	109	67.1 Å²	67.1	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-89.9	-38.3	-172.7	-77.1	-84	0	0	0	113.4	I409	I409-H413 WeakPolarHBondContact O-CB 3.36Å; I409-H413 PolarHBondContact O-CD2 3.49Å; I409-H413 PolarHBondContact O-N 2.79Å
414	H	77.9	Confident	83.4	Confident	120 Å²	120	65.5 Å²	65.5	56%	0.556	31%	0.313	S	S	*	.	H	α-helix	trans	-117.4	-9.1	-171.3	-56.8	-73.2	0	0	0	113.3	Q410 V416	Q410-H414 CarbonylContact O-C 3.58Å; Q410-H414 WeakPolarHBondContact O-CA 3.39Å; Q410-H414 WeakPolarHBondContact O-CB 3.34Å; Q410-H414 PolarHBondContact O-N 3.22Å; Q410-H414 PolarHBondContact OE1-CD2 3.13Å; H414-V416 HydrophobicContact CB-CG2 3.77Å; H414-V416 PolarHBondContact O-N 2.89Å
415	K	78.3	Confident	83.8	Confident	184 Å²	184	67.6 Å²	67.6	80%	0.8	32%	0.317	S	S	*	.			trans	56	27	-176.2	-55.9	179.7	-179.1	176.4	0	113.2	Q410 E411	Q410-K415 PolarHBondContact O-N 3.26Å; Q410-K415 VanDerWaalsContact O-N 3.11Å; E411-K415 VanDerWaalsContact O-CA 3.26Å; E411-K415 WeakPolarHBondContact O-CA 3.49Å; E411-K415 PolarHBondContact O-N 2.98Å; E411-K415 VanDerWaalsContact O-N 3.17Å
416	V	75.9	Confident	84	Confident	43 Å²	43	70 Å²	70	26%	0.261	33%	0.326	S	S	.	.			trans	-90.5	143.5	178.4	-175.2	0	0	0	0	109.4	H414 Q445 I447	H414-V416 HydrophobicContact CB-CG2 3.77Å; H414-V416 PolarHBondContact O-N 2.89Å; V416-Q445 VanDerWaalsContact CG1-NE2 3.32Å; V416-I447 HydrophobicContact CB-CD1 4.24Å; V416-I447 HydrophobicContact CG1-CD1 3.64Å
417	R	75.4	Confident	84.4	Confident	169 Å²	169	73.2 Å²	73.2	64%	0.638	34%	0.344	S	S	*	.			trans	-123.1	139.6	172.8	-69.5	-176	173.8	175.4	-0.1	109.1	E411 Q445	E411-R417 IonicContact OE1-CZ 3.14Å; E411-R417 IonicContact OE1-NE 3.57Å; E411-R417 PolarHBondContact OE1-NE 3.33Å; E411-R417 IonicContact OE1-NH2 2.81Å; E411-R417 PolarHBondContact OE1-NH2 2.81Å; R417-Q445 PolarHBondContact O-OE1 3.24Å; R417-Q445 VanDerWaalsContact O-OE1 3.11Å
418	P	78.1	Confident	85.1	Confident	29 Å²	29	73.1 Å²	73.1	19%	0.188	34%	0.342	C	S	.	.			trans	-64.9	143.3	177.9	29.3	-34.9	0	0	0	109.8	V407 V421 D442 I449	V407-P418 HydrophobicContact CG2-CG 4.29Å; P418-V421 HydrophobicContact CB-CG2 4.19Å; P418-D442 WeakPolarHBondContact CA-OD2 3.4Å; P418-D442 HydrophobicContact CB-CB 3.96Å; P418-I449 HydrophobicContact CB-CD1 3.91Å; P418-I449 HydrophobicContact CB-CG1 4.5Å; P418-I449 HydrophobicContact CG-CD1 3.77Å; P418-I449 HydrophobicContact CG-CG1 4.15Å
419	Y	78.9	Confident	86	Confident	141 Å²	141	76.2 Å²	76.2	55%	0.553	36%	0.357	S	S	*	.			trans	-122.6	-31.4	177.2	64.3	-87.5	0	0	0	112.7	D442 E444 Q445	Y419-D442 PolarHBondContact N-OD2 2.98Å; Y419-E444 PolarHBondContact OH-OE2 2.83Å; Y419-Q445 HydrophobicContact CD1-CG 4.36Å; Y419-Q445 VanDerWaalsContact CE1-CD 3.41Å; Y419-Q445 HydrophobicContact CE1-CG 3.71Å
420	Q	85.2	Confident	86.8	Confident	78 Å²	78	75.4 Å²	75.4	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-119.2	105.4	177.4	179.5	168.5	-19.4	0	0	109.1	E422 D442	Q420-E422 HydrophobicContact CG-CG 4.5Å; Q420-E422 PolarHBondContact NE2-OE1 2.94Å; Q420-D442 PolarHBondContact N-OD2 3.39Å; Q420-D442 VanDerWaalsContact O-CA 3.22Å; Q420-D442 WeakPolarHBondContact O-CA 3.19Å; Q420-D442 WeakPolarHBondContact O-CB 3.35Å; Q420-D442 VanDerWaalsContact O-CG 3.26Å
421	V	88.2	Confident	87.4	Confident	55 Å²	55	74.5 Å²	74.5	33%	0.333	35%	0.349	S	S	.	.			trans	-106.9	122.4	-174.2	-179.2	0	0	0	0	110.3	P418 Y440 E441 I449 F498	P418-V421 HydrophobicContact CB-CG2 4.19Å; V421-Y440 HydrophobicContact CG1-CD1 3.81Å; V421-Y440 HydrophobicContact CG1-CG 4.33Å; V421-E441 WeakPolarHBondContact CA-O 3.47Å; V421-I449 HydrophobicContact CB-CD1 4.07Å; V421-I449 HydrophobicContact CG1-CD1 3.6Å; V421-I449 HydrophobicContact CG2-CD1 3.27Å; V421-F498 HydrophobicContact CG1-CE1 3.76Å; V421-F498 HydrophobicContact CG1-CZ 3.98Å
422	E	93.1	Very high	88	Confident	85 Å²	85	74 Å²	74	40%	0.397	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.7	-178.2	-64.8	-178.1	-167.6	0	0	111.4	Q420 Y440 E441 P443	Q420-E422 HydrophobicContact CG-CG 4.5Å; Q420-E422 PolarHBondContact NE2-OE1 2.94Å; E422-Y440 WeakPolarHBondContact O-CA 3.46Å; E422-E441 PolarHBondContact N-O 3.06Å; E422-E441 PolarHBondContact O-N 2.97Å; E422-P443 HydrophobicContact CB-CG 4.13Å; E422-P443 HydrophobicContact CG-CG 4.31Å
423	L	96	Very high	88.8	Confident	71 Å²	71	71 Å²	71	37%	0.372	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.3	170.1	177	65.4	0	0	0	108.9	Y440 L502 E505	L423-Y440 HydrophobicContact CB-CD1 4.25Å; L423-Y440 HydrophobicContact CB-CE1 3.78Å; L423-Y440 HydrophobicContact CD1-CD2 4.39Å; L423-Y440 HydrophobicContact CD1-CE1 4.43Å; L423-Y440 HydrophobicContact CD1-CE2 4.08Å; L423-L502 HydrophobicContact CD1-CD2 4.08Å; L423-E505 HydrophobicContact CD2-CB 4.43Å; L423-E505 HydrophobicContact CD2-CG 4.02Å
424	V	97.6	Very high	89.7	Confident	30 Å²	30	69.1 Å²	69.1	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.6	177.8	-174.7	0	0	0	0	109.6	R426 S439 E441	V424-R426 HydrophobicContact CG1-CG 4.48Å; V424-S439 PolarHBondContact N-O 3.21Å; V424-S439 PolarHBondContact O-N 3.06Å; V424-S439 PolarHBondContact O-OG 3.28Å; V424-E441 HydrophobicContact CG2-CB 4.21Å
425	R	98	Very high	90.7	Very high	74 Å²	74	63.4 Å²	63.4	28%	0.279	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.8	176.4	174.5	174.7	170	176.3	-3.6	110.4	D427 W434 T436 L438 E513	R425-D427 IonicContact CZ-OD2 2.79Å; R425-D427 VanDerWaalsContact CZ-OD2 3.24Å; R425-D427 IonicContact NE-OD1 3.06Å; R425-D427 IonicContact NE-OD2 3.89Å; R425-D427 PolarHBondContact NE-OD2 3.01Å; R425-D427 IonicContact NH2-OD1 2.72Å; R425-D427 IonicContact NH2-OD2 3.3Å; R425-D427 PolarHBondContact NH2-OD2 3.02Å; R425-W434 VanDerWaalsContact NH2-CZ2 3.32Å; R425-T436 HydrophobicContact CG-CG2 3.98Å; R425-L438 HydrophobicContact CB-CD2 3.81Å; R425-L438 HydrophobicContact CG-CD2 3.79Å; R425-E513 IonicContact CZ-OE1 2.55Å; R425-E513 IonicContact CZ-OE2 3.84Å; R425-E513 IonicContact NH1-OE1 3.51Å; R425-E513 PolarHBondContact NH1-OE1 3.37Å; R425-E513 IonicContact NH1-OE2 3.53Å; R425-E513 PolarHBondContact NH1-OE2 3.25Å; R425-E513 IonicContact NH2-OE2 3.11Å; R425-E513 PolarHBondContact NH2-OE2 3.05Å
426	R	98.3	Very high	91.7	Very high	53 Å²	53	54.7 Å²	54.7	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.7	173.6	-61.5	179.2	-179.2	88.3	-2.3	109.3	V424 F437 E441	V424-R426 HydrophobicContact CG1-CG 4.48Å; R426-F437 HydrophobicContact CB-CB 4.45Å; R426-F437 PolarHBondContact N-O 3.42Å; R426-F437 PolarHBondContact O-N 3.09Å; R426-E441 IonicContact CZ-OE2 3.69Å; R426-E441 VanDerWaalsContact NH1-CD 3.33Å; R426-E441 IonicContact NH1-OE1 3.61Å; R426-E441 PolarHBondContact NH1-OE1 2.75Å; R426-E441 VanDerWaalsContact NH1-OE1 3.1Å; R426-E441 IonicContact NH1-OE2 3.58Å; R426-E441 PolarHBondContact NH1-OE2 2.93Å; R426-E441 IonicContact NH2-OE2 2.78Å; R426-E441 PolarHBondContact NH2-OE2 3.42Å
427	D	98.4	Very high	92.7	Very high	73 Å²	73	52.7 Å²	52.7	39%	0.39	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.6	177.9	-71.6	-53.5	0	0	0	111.1	R425 W434 E435 T436	R425-D427 IonicContact CZ-OD2 2.79Å; R425-D427 VanDerWaalsContact CZ-OD2 3.24Å; R425-D427 IonicContact NE-OD1 3.06Å; R425-D427 IonicContact NE-OD2 3.89Å; R425-D427 PolarHBondContact NE-OD2 3.01Å; R425-D427 IonicContact NH2-OD1 2.72Å; R425-D427 IonicContact NH2-OD2 3.3Å; R425-D427 PolarHBondContact NH2-OD2 3.02Å; D427-W434 VanDerWaalsContact CG-NE1 3.31Å; D427-W434 PolarHBondContact OD1-NE1 2.95Å; D427-E435 WeakPolarHBondContact CA-O 3.22Å; D427-T436 WeakPolarHBondContact OD1-CA 3.35Å; D427-T436 VanDerWaalsContact OD1-CB 3.23Å; D427-T436 WeakPolarHBondContact OD1-CB 3.48Å; D427-T436 WeakPolarHBondContact OD1-CG2 3.27Å; D427-T436 PolarHBondContact OD1-OG1 3.39Å
428	Y	97.9	Very high	93.8	Very high	13 Å²	13	44.7 Å²	44.7	5%	0.051	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149.6	175.1	59.4	-82.3	0	0	0	111.6	W360 A430 E435 F437	W360-Y428 HydrophobicContact CB-CE1 4.08Å; W360-Y428 AromaticContact CD1-CE1 3.86Å; W360-Y428 AromaticContact CD1-CZ 3.57Å; W360-Y428 AromaticContact CD2-CD1 3.96Å; W360-Y428 HydrophobicContact CD2-CD1 3.96Å; W360-Y428 AromaticContact CD2-CE1 3.85Å; W360-Y428 HydrophobicContact CD2-CE1 3.85Å; W360-Y428 HydrophobicContact CE3-CD1 4.25Å; W360-Y428 HydrophobicContact CE3-CE1 4.45Å; W360-Y428 HydrophobicContact CG-CD1 4.27Å; W360-Y428 AromaticContact CG-CE1 3.66Å; W360-Y428 HydrophobicContact CG-CE1 3.66Å; W360-Y428 AromaticContact CG-CZ 3.85Å; W360-Y428 HydrophobicContact CZ2-CG 4.34Å; W360-Y428 AromaticContact NE1-CE2 3.87Å; W360-Y428 AromaticContact NE1-CZ 3.84Å; Y428-A430 HydrophobicContact CD2-CB 4.14Å; Y428-A430 HydrophobicContact CE2-CB 4.11Å; Y428-E435 HydrophobicContact CD1-CB 4.15Å; Y428-E435 HydrophobicContact CD2-CB 3.87Å; Y428-E435 HydrophobicContact CD2-CG 4.21Å; Y428-E435 HydrophobicContact CE1-CB 3.78Å; Y428-E435 HydrophobicContact CE2-CB 3.49Å; Y428-E435 VanDerWaalsContact CE2-CB 3.49Å; Y428-E435 HydrophobicContact CE2-CG 3.66Å; Y428-E435 HydrophobicContact CG-CB 4.18Å; Y428-E435 VanDerWaalsContact CZ-CB 3.42Å; Y428-E435 PolarHBondContact N-O 3.25Å; Y428-E435 WeakPolarHBondContact O-CB 3.42Å; Y428-E435 PolarHBondContact O-N 3.28Å; Y428-F437 HydrophobicContact CE1-CB 4.16Å
429	V	96.8	Very high	94.8	Very high	80 Å²	80	43.3 Å²	43.3	49%	0.485	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132	172.2	-179.6	0	0	0	0	108.9	P309 R312 G433	P309-V429 HydrophobicContact CB-CG1 4.17Å; R312-V429 WeakPolarHBondContact CD-O 3.32Å; R312-V429 PolarHBondContact NH1-O 2.89Å; V429-G433 WeakPolarHBondContact CA-O 3.44Å
430	A	96.8	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	129.8	169.4	0	0	0	0	0	111.4	K276 P309 R312 Y428 G432 G433 E435 R455	K276-A430 HydrophobicContact CD-CB 4.47Å; K276-A430 VanDerWaalsContact NZ-CB 3.31Å; P309-A430 CarbonylContact O-C 3.6Å; P309-A430 WeakPolarHBondContact O-CA 3.46Å; R312-A430 HydrophobicContact CB-CB 4Å; Y428-A430 HydrophobicContact CD2-CB 4.14Å; Y428-A430 HydrophobicContact CE2-CB 4.11Å; A430-G432 VanDerWaalsContact C-N 3.3Å; A430-G432 PolarHBondContact O-N 3.43Å; A430-G433 PolarHBondContact N-O 2.77Å; A430-G433 PolarHBondContact O-N 2.92Å; A430-E435 HydrophobicContact CB-CG 3.95Å; A430-R455 PolarHBondContact O-NH1 3.36Å; A430-R455 PolarHBondContact O-NH2 3.11Å
431	N	95.6	Very high	96	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.048	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	50.1	176.7	-55.6	92.1	0	0	0	111.8	C269 F272 Q273 K276 P309 A310 F311 G433 R455	C269-N431 PolarHBondContact O-ND2 2.93Å; F272-N431 WeakPolarHBondContact CB-ND2 3.42Å; Q273-N431 HydrophobicContact CB-CB 3.78Å; Q273-N431 HydrophobicContact CG-CB 4.06Å; Q273-N431 WeakPolarHBondContact CG-O 3.49Å; K276-N431 HydrophobicContact CD-CB 4.46Å; K276-N431 WeakPolarHBondContact CD-OD1 3.37Å; K276-N431 WeakPolarHBondContact CE-OD1 3.31Å; K276-N431 PolarHBondContact NZ-OD1 3Å; P309-N431 PolarHBondContact O-N 2.96Å; A310-N431 PolarHBondContact O-ND2 2.84Å; F311-N431 PolarHBondContact O-OD1 3.36Å; N431-G433 PolarHBondContact O-N 3.44Å; N431-G433 VanDerWaalsContact O-N 3.13Å; N431-R455 PolarHBondContact O-NH2 3.39Å
432	G	90	Very high	96.1	Very high	67 Å²	67	31.8 Å²	31.8	69%	0.691	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	4.7	179.8	0	0	0	0	0	116.1	A430	A430-G432 VanDerWaalsContact C-N 3.3Å; A430-G432 PolarHBondContact O-N 3.43Å
433	G	92.1	Very high	96	Very high	8 Å²	8	30.4 Å²	30.4	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	162.1	176.5	0	0	0	0	0	113.2	V429 A430 N431	V429-G433 WeakPolarHBondContact CA-O 3.44Å; A430-G433 PolarHBondContact N-O 2.77Å; A430-G433 PolarHBondContact O-N 2.92Å; N431-G433 PolarHBondContact O-N 3.44Å; N431-G433 VanDerWaalsContact O-N 3.13Å
434	W	95.8	Very high	95.7	Very high	70 Å²	70	33.2 Å²	33.2	27%	0.265	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114	175.9	177	11.2	0	0	0	109.3	R425 D427 T436 R455 R456 E513 H514	R425-W434 VanDerWaalsContact NH2-CZ2 3.32Å; D427-W434 VanDerWaalsContact CG-NE1 3.31Å; D427-W434 PolarHBondContact OD1-NE1 2.95Å; W434-T436 PolarHBondContact NE1-OG1 3.3Å; W434-R455 WeakPolarHBondContact O-CA 3.44Å; W434-R456 HydrophobicContact CB-CB 4.3Å; W434-R456 PolarHBondContact O-N 3.28Å; W434-E513 HydrophobicContact CH2-CB 3.99Å; W434-H514 AromaticContact CD2-NE2 3.67Å; W434-H514 AromaticContact CE2-NE2 3.89Å; W434-H514 AromaticContact CE3-CD2 3.4Å; W434-H514 VanDerWaalsContact CE3-CD2 3.4Å; W434-H514 AromaticContact CE3-NE2 3.52Å; W434-H514 AromaticContact CH2-CD2 3.65Å; W434-H514 AromaticContact CH2-NE2 3.92Å; W434-H514 AromaticContact CZ3-CD2 3.18Å; W434-H514 WeakPolarHBondContact CZ3-CD2 3.47Å; W434-H514 AromaticContact CZ3-NE2 3.66Å
435	E	98.3	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.2	171.4	-61.1	-74.4	165.1	0	0	110	D427 Y428 A430 L454 R455 R474	D427-E435 WeakPolarHBondContact CA-O 3.22Å; Y428-E435 HydrophobicContact CD1-CB 4.15Å; Y428-E435 HydrophobicContact CD2-CB 3.87Å; Y428-E435 HydrophobicContact CD2-CG 4.21Å; Y428-E435 HydrophobicContact CE1-CB 3.78Å; Y428-E435 HydrophobicContact CE2-CB 3.49Å; Y428-E435 VanDerWaalsContact CE2-CB 3.49Å; Y428-E435 HydrophobicContact CE2-CG 3.66Å; Y428-E435 HydrophobicContact CG-CB 4.18Å; Y428-E435 VanDerWaalsContact CZ-CB 3.42Å; Y428-E435 PolarHBondContact N-O 3.25Å; Y428-E435 WeakPolarHBondContact O-CB 3.42Å; Y428-E435 PolarHBondContact O-N 3.28Å; A430-E435 HydrophobicContact CB-CG 3.95Å; E435-L454 WeakPolarHBondContact CA-O 3.44Å; E435-R455 WeakPolarHBondContact OE1-CD 3.18Å; E435-R455 WeakPolarHBondContact OE1-CG 3.36Å; E435-R455 IonicContact OE1-CZ 3.26Å; E435-R455 IonicContact OE1-NE 3.98Å; E435-R455 IonicContact OE1-NH1 3.07Å; E435-R455 PolarHBondContact OE1-NH1 3.35Å; E435-R474 IonicContact OE1-CZ 3.24Å; E435-R474 IonicContact OE1-NE 3.48Å; E435-R474 IonicContact OE1-NH1 2.72Å; E435-R474 PolarHBondContact OE1-NH1 3.08Å; E435-R474 IonicContact OE2-CZ 2.84Å; E435-R474 IonicContact OE2-NH1 3.14Å; E435-R474 PolarHBondContact OE2-NH1 2.61Å
436	T	98.6	Very high	94.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.1	172.6	-59	0	0	0	0	107.9	R425 D427 W434 L438 L454 I509	R425-T436 HydrophobicContact CG-CG2 3.98Å; D427-T436 WeakPolarHBondContact OD1-CA 3.35Å; D427-T436 VanDerWaalsContact OD1-CB 3.23Å; D427-T436 WeakPolarHBondContact OD1-CB 3.48Å; D427-T436 WeakPolarHBondContact OD1-CG2 3.27Å; D427-T436 PolarHBondContact OD1-OG1 3.39Å; W434-T436 PolarHBondContact NE1-OG1 3.3Å; T436-L438 HydrophobicContact CG2-CD2 3.78Å; T436-L438 HydrophobicContact CG2-CG 3.96Å; T436-L454 PolarHBondContact N-O 2.63Å; T436-L454 PolarHBondContact O-N 2.86Å; T436-I509 HydrophobicContact CG2-CD1 4.13Å
437	F	98.7	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107	171.2	-177	-96.6	0	0	0	109	W360 V402 R426 Y428 L451 R453	W360-F437 HydrophobicContact CB-CB 3.98Å; W360-F437 HydrophobicContact CB-CD1 4.13Å; W360-F437 HydrophobicContact CB-CD2 3.66Å; W360-F437 HydrophobicContact CB-CE2 4.13Å; W360-F437 HydrophobicContact CB-CG 3.65Å; V402-F437 HydrophobicContact CG2-CZ 4.28Å; R426-F437 HydrophobicContact CB-CB 4.45Å; R426-F437 PolarHBondContact N-O 3.42Å; R426-F437 PolarHBondContact O-N 3.09Å; Y428-F437 HydrophobicContact CE1-CB 4.16Å; F437-L451 HydrophobicContact CE2-CB 3.81Å; F437-L451 HydrophobicContact CE2-CD1 4.29Å; F437-L451 HydrophobicContact CE2-CD2 4.13Å; F437-L451 HydrophobicContact CE2-CG 4.3Å; F437-L451 HydrophobicContact CZ-CB 3.71Å; F437-L451 HydrophobicContact CZ-CD2 4.14Å; F437-L451 HydrophobicContact CZ-CG 4.45Å; F437-R453 HydrophobicContact CD2-CG 4.25Å
438	L	98.6	Very high	94.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.6	173	-59.7	177.2	0	0	0	108.9	R425 T436 L451 L452 L502 E505 A506 I509	R425-L438 HydrophobicContact CB-CD2 3.81Å; R425-L438 HydrophobicContact CG-CD2 3.79Å; T436-L438 HydrophobicContact CG2-CD2 3.78Å; T436-L438 HydrophobicContact CG2-CG 3.96Å; L438-L451 CarbonylContact O-C 3.54Å; L438-L451 VanDerWaalsContact O-CA 3.24Å; L438-L451 WeakPolarHBondContact O-CA 3.39Å; L438-L452 HydrophobicContact CB-CB 4.33Å; L438-L452 HydrophobicContact CD1-CD2 4.21Å; L438-L452 PolarHBondContact N-O 3.33Å; L438-L452 PolarHBondContact O-N 3.14Å; L438-L502 HydrophobicContact CB-CD2 3.79Å; L438-E505 HydrophobicContact CD1-CB 4.16Å; L438-E505 HydrophobicContact CD1-CG 3.84Å; L438-E505 HydrophobicContact CD2-CG 4.33Å; L438-A506 HydrophobicContact CD1-CB 4.38Å; L438-I509 HydrophobicContact CD1-CD1 4.07Å; L438-I509 HydrophobicContact CD2-CD1 3.82Å; L438-I509 HydrophobicContact CG-CD1 4.42Å
439	S	97.7	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.6	179.8	50.6	0	0	0	0	111.7	V424 E441 G450	V424-S439 PolarHBondContact N-O 3.21Å; V424-S439 PolarHBondContact O-N 3.06Å; V424-S439 PolarHBondContact O-OG 3.28Å; S439-E441 WeakPolarHBondContact OG-CG 3.4Å; S439-E441 PolarHBondContact OG-OE1 3.21Å; S439-E441 VanDerWaalsContact OG-OE1 3.1Å; S439-G450 CarbonylContact C-O 3.57Å; S439-G450 WeakPolarHBondContact CA-O 3.38Å; S439-G450 WeakPolarHBondContact CB-O 3.45Å
440	Y	95.3	Very high	93.8	Very high	30 Å²	30	22.3 Å²	22.3	12%	0.118	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.9	161.4	-81.7	-76.6	0	0	0	108.6	V421 E422 L423 I449 G450 F498 M501 L502	V421-Y440 HydrophobicContact CG1-CD1 3.81Å; V421-Y440 HydrophobicContact CG1-CG 4.33Å; E422-Y440 WeakPolarHBondContact O-CA 3.46Å; L423-Y440 HydrophobicContact CB-CD1 4.25Å; L423-Y440 HydrophobicContact CB-CE1 3.78Å; L423-Y440 HydrophobicContact CD1-CD2 4.39Å; L423-Y440 HydrophobicContact CD1-CE1 4.43Å; L423-Y440 HydrophobicContact CD1-CE2 4.08Å; Y440-I449 PolarHBondContact O-N 3.5Å; Y440-G450 PolarHBondContact N-O 2.93Å; Y440-G450 PolarHBondContact O-N 3.06Å; Y440-F498 AromaticContact CD1-CD1 3.88Å; Y440-F498 HydrophobicContact CD1-CD1 3.88Å; Y440-F498 AromaticContact CD1-CE1 3.88Å; Y440-F498 HydrophobicContact CD1-CE1 3.88Å; Y440-F498 HydrophobicContact CD2-CB 4.2Å; Y440-F498 AromaticContact CD2-CD1 3.5Å; Y440-F498 HydrophobicContact CD2-CD1 3.5Å; Y440-F498 VanDerWaalsContact CD2-CD1 3.5Å; Y440-F498 HydrophobicContact CD2-CE1 4.33Å; Y440-F498 HydrophobicContact CD2-CG 4.27Å; Y440-F498 HydrophobicContact CE1-CD1 4.23Å; Y440-F498 HydrophobicContact CE1-CE1 4.29Å; Y440-F498 AromaticContact CE2-CD1 3.91Å; Y440-F498 HydrophobicContact CE2-CD1 3.91Å; Y440-F498 AromaticContact CG-CD1 3.47Å; Y440-F498 HydrophobicContact CG-CD1 3.47Å; Y440-F498 VanDerWaalsContact CG-CD1 3.47Å; Y440-F498 AromaticContact CG-CE1 3.87Å; Y440-F498 HydrophobicContact CG-CE1 3.87Å; Y440-F498 HydrophobicContact CG-CG 4.45Å; Y440-M501 HydrophobicContact CE1-CE 4.47Å; Y440-M501 HydrophobicContact CE2-CB 3.9Å; Y440-M501 HydrophobicContact CE2-CE 4.15Å; Y440-M501 WeakPolarHBondContact OH-CB 3.49Å; Y440-L502 HydrophobicContact CD2-CD1 4.31Å; Y440-L502 HydrophobicContact CD2-CD2 3.9Å; Y440-L502 HydrophobicContact CD2-CG 3.81Å; Y440-L502 HydrophobicContact CE2-CD2 4.08Å; Y440-L502 HydrophobicContact CE2-CG 3.92Å
441	E	93.7	Very high	93.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.1	-174.3	-57.8	-176.2	158.3	0	0	110.1	R405 V421 E422 V424 R426 S439 P443 I447 L448	R405-E441 IonicContact CZ-OE1 3.51Å; R405-E441 IonicContact CZ-OE2 3.53Å; R405-E441 IonicContact NH1-OE1 2.78Å; R405-E441 PolarHBondContact NH1-OE1 2.9Å; R405-E441 IonicContact NH1-OE2 3.58Å; R405-E441 IonicContact NH2-OE1 2.8Å; R405-E441 PolarHBondContact NH2-OE1 2.9Å; R405-E441 VanDerWaalsContact NH2-OE1 3.09Å; R405-E441 IonicContact NH2-OE2 3.34Å; R405-E441 PolarHBondContact NH2-OE2 2.79Å; V421-E441 WeakPolarHBondContact CA-O 3.47Å; E422-E441 PolarHBondContact N-O 3.06Å; E422-E441 PolarHBondContact O-N 2.97Å; V424-E441 HydrophobicContact CG2-CB 4.21Å; R426-E441 IonicContact CZ-OE2 3.69Å; R426-E441 VanDerWaalsContact NH1-CD 3.33Å; R426-E441 IonicContact NH1-OE1 3.61Å; R426-E441 PolarHBondContact NH1-OE1 2.75Å; R426-E441 VanDerWaalsContact NH1-OE1 3.1Å; R426-E441 IonicContact NH1-OE2 3.58Å; R426-E441 PolarHBondContact NH1-OE2 2.93Å; R426-E441 IonicContact NH2-OE2 2.78Å; R426-E441 PolarHBondContact NH2-OE2 3.42Å; S439-E441 WeakPolarHBondContact OG-CG 3.4Å; S439-E441 PolarHBondContact OG-OE1 3.21Å; S439-E441 VanDerWaalsContact OG-OE1 3.1Å; E441-P443 WeakPolarHBondContact O-CD 3.4Å; E441-I447 CarbonylContact C-O 3.47Å; E441-I447 WeakPolarHBondContact CA-O 3.24Å; E441-L448 HydrophobicContact CG-CD1 3.65Å
442	D	91.6	Very high	94	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	103.1	159.9	-172.7	-47.6	0	0	0	107.1	P418 Y419 Q420 E444 Q445 D446 I447	P418-D442 WeakPolarHBondContact CA-OD2 3.4Å; P418-D442 HydrophobicContact CB-CB 3.96Å; Y419-D442 PolarHBondContact N-OD2 2.98Å; Q420-D442 PolarHBondContact N-OD2 3.39Å; Q420-D442 VanDerWaalsContact O-CA 3.22Å; Q420-D442 WeakPolarHBondContact O-CA 3.19Å; Q420-D442 WeakPolarHBondContact O-CB 3.35Å; Q420-D442 VanDerWaalsContact O-CG 3.26Å; D442-E444 VanDerWaalsContact C-N 3.3Å; D442-E444 PolarHBondContact O-N 2.78Å; D442-E444 PolarHBondContact OD1-N 2.95Å; D442-Q445 HydrophobicContact CB-CB 4.39Å; D442-Q445 PolarHBondContact OD1-N 3.28Å; D442-Q445 PolarHBondContact OD2-OE1 3.16Å; D442-D446 VanDerWaalsContact O-CA 3.25Å; D442-D446 WeakPolarHBondContact O-CA 3.34Å; D442-D446 PolarHBondContact O-N 3.32Å; D442-I447 HydrophobicContact CB-CB 4.14Å; D442-I447 PolarHBondContact N-O 3.06Å; D442-I447 PolarHBondContact O-N 2.73Å; D442-I447 VanDerWaalsContact O-N 3.1Å
443	P	90.1	Very high	94.4	Very high	56 Å²	56	18.7 Å²	18.7	36%	0.364	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.2	-172.5	-20.6	33.9	0	0	0	113.4	E422 E441	E422-P443 HydrophobicContact CB-CG 4.13Å; E422-P443 HydrophobicContact CG-CG 4.31Å; E441-P443 WeakPolarHBondContact O-CD 3.4Å
444	E	89.4	Confident	94.7	Very high	130 Å²	130	18.3 Å²	18.3	61%	0.607	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-38.9	-179.4	-63.9	-166.1	153.5	0	0	111	Y419 D442	Y419-E444 PolarHBondContact OH-OE2 2.83Å; D442-E444 VanDerWaalsContact C-N 3.3Å; D442-E444 PolarHBondContact O-N 2.78Å; D442-E444 PolarHBondContact OD1-N 2.95Å
445	Q	88.4	Confident	94.8	Very high	65 Å²	65	15 Å²	15	30%	0.304	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.9	179	-57.9	-171.1	-45.9	0	0	114.1	V416 R417 Y419 D442 I447	V416-Q445 VanDerWaalsContact CG1-NE2 3.32Å; R417-Q445 PolarHBondContact O-OE1 3.24Å; R417-Q445 VanDerWaalsContact O-OE1 3.11Å; Y419-Q445 HydrophobicContact CD1-CG 4.36Å; Y419-Q445 VanDerWaalsContact CE1-CD 3.41Å; Y419-Q445 HydrophobicContact CE1-CG 3.71Å; D442-Q445 HydrophobicContact CB-CB 4.39Å; D442-Q445 PolarHBondContact OD1-N 3.28Å; D442-Q445 PolarHBondContact OD2-OE1 3.16Å; Q445-I447 VanDerWaalsContact C-N 3.3Å; Q445-I447 HydrophobicContact CB-CD1 3.71Å; Q445-I447 HydrophobicContact CB-CG1 3.72Å; Q445-I447 PolarHBondContact O-N 3.1Å
446	D	91.9	Very high	94.7	Very high	24 Å²	24	20.8 Å²	20.8	13%	0.128	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	39.8	-172.2	-155.5	32	0	0	0	114.3	R400 R405 D442	R400-D446 IonicContact CZ-OD1 3.54Å; R400-D446 IonicContact CZ-OD2 3.17Å; R400-D446 IonicContact NE-OD1 3.93Å; R400-D446 IonicContact NE-OD2 2.69Å; R400-D446 PolarHBondContact NE-OD2 2.9Å; R400-D446 IonicContact NH2-OD1 2.97Å; R400-D446 PolarHBondContact NH2-OD1 3.34Å; R400-D446 IonicContact NH2-OD2 3.14Å; R405-D446 WeakPolarHBondContact CB-O 3.01Å; R405-D446 WeakPolarHBondContact CG-O 3.19Å; R405-D446 IonicContact CZ-OD1 3.2Å; R405-D446 IonicContact NE-OD1 2.73Å; R405-D446 PolarHBondContact NE-OD1 3.07Å; R405-D446 IonicContact NE-OD2 2.88Å; R405-D446 PolarHBondContact NE-OD2 3.3Å; R405-D446 VanDerWaalsContact NE-OD2 3.14Å; R405-D446 IonicContact NH2-OD1 3.97Å; R405-D446 PolarHBondContact NH2-OD1 3.46Å; D442-D446 VanDerWaalsContact O-CA 3.25Å; D442-D446 WeakPolarHBondContact O-CA 3.34Å; D442-D446 PolarHBondContact O-N 3.32Å
447	I	91.2	Very high	94.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.3	-177.4	-56.6	179	0	0	0	110.9	R405 V407 Q410 V416 E441 D442 Q445	R405-I447 CarbonylContact O-C 3.5Å; R405-I447 WeakPolarHBondContact O-CA 3.47Å; V407-I447 HydrophobicContact CB-CG2 3.88Å; V407-I447 HydrophobicContact CG2-CG2 4.15Å; Q410-I447 HydrophobicContact CB-CD1 4.4Å; Q410-I447 HydrophobicContact CB-CG1 4.49Å; Q410-I447 HydrophobicContact CG-CG1 4.17Å; Q410-I447 HydrophobicContact CG-CG2 4.48Å; V416-I447 HydrophobicContact CB-CD1 4.24Å; V416-I447 HydrophobicContact CG1-CD1 3.64Å; E441-I447 CarbonylContact C-O 3.47Å; E441-I447 WeakPolarHBondContact CA-O 3.24Å; D442-I447 HydrophobicContact CB-CB 4.14Å; D442-I447 PolarHBondContact N-O 3.06Å; D442-I447 PolarHBondContact O-N 2.73Å; D442-I447 VanDerWaalsContact O-N 3.1Å; Q445-I447 VanDerWaalsContact C-N 3.3Å; Q445-I447 HydrophobicContact CB-CD1 3.71Å; Q445-I447 HydrophobicContact CB-CG1 3.72Å; Q445-I447 PolarHBondContact O-N 3.1Å
448	L	92.4	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125	178.1	178.3	66.3	0	0	0	111.7	V402 R405 V407 E441 G450 L451 Y479	V402-L448 HydrophobicContact CB-CD2 4.29Å; V402-L448 HydrophobicContact CG1-CD2 3.76Å; V402-L448 HydrophobicContact CG2-CD2 4.37Å; R405-L448 HydrophobicContact CB-CB 3.96Å; R405-L448 PolarHBondContact O-N 3.46Å; V407-L448 PolarHBondContact N-O 3.07Å; E441-L448 HydrophobicContact CG-CD1 3.65Å; L448-G450 WeakPolarHBondContact CD1-O 3.49Å; L448-L451 HydrophobicContact CD2-CD2 4.06Å; L448-Y479 HydrophobicContact CD2-CE2 3.87Å; L448-Y479 HydrophobicContact CG-CD2 4.37Å; L448-Y479 HydrophobicContact CG-CE2 4.08Å
449	I	90.8	Very high	93.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-43.2	-178.1	-62.2	167.4	0	0	0	111.4	P418 V421 Y440 Y479 F498	P418-I449 HydrophobicContact CB-CD1 3.91Å; P418-I449 HydrophobicContact CB-CG1 4.5Å; P418-I449 HydrophobicContact CG-CD1 3.77Å; P418-I449 HydrophobicContact CG-CG1 4.15Å; V421-I449 HydrophobicContact CB-CD1 4.07Å; V421-I449 HydrophobicContact CG1-CD1 3.6Å; V421-I449 HydrophobicContact CG2-CD1 3.27Å; Y440-I449 PolarHBondContact O-N 3.5Å; I449-Y479 WeakPolarHBondContact O-CA 2.99Å; I449-Y479 WeakPolarHBondContact O-CB 3.39Å; I449-Y479 WeakPolarHBondContact O-CD2 3.38Å; I449-Y479 PolarHBondContact O-N 2.62Å; I449-F498 HydrophobicContact CG2-CD2 3.8Å; I449-F498 HydrophobicContact CG2-CE2 3.8Å; I449-F498 HydrophobicContact CG2-CG 4.37Å; I449-F498 HydrophobicContact CG2-CZ 4.37Å
450	G	92.6	Very high	92.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.9	178.5	0	0	0	0	0	111.3	S439 Y440 L448 H477	S439-G450 CarbonylContact C-O 3.57Å; S439-G450 WeakPolarHBondContact CA-O 3.38Å; S439-G450 WeakPolarHBondContact CB-O 3.45Å; Y440-G450 PolarHBondContact N-O 2.93Å; Y440-G450 PolarHBondContact O-N 3.06Å; L448-G450 WeakPolarHBondContact CD1-O 3.49Å; G450-H477 CarbonylContact C-O 3.53Å; G450-H477 VanDerWaalsContact CA-O 3.25Å; G450-H477 WeakPolarHBondContact CA-O 3.46Å
451	L	97.5	Very high	92.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.5	-179.9	65.7	85.3	0	0	0	111.6	V402 F437 L438 L448 E475 H477 Y479	V402-L451 HydrophobicContact CG1-CD2 3.69Å; V402-L451 HydrophobicContact CG2-CD2 4.49Å; F437-L451 HydrophobicContact CE2-CB 3.81Å; F437-L451 HydrophobicContact CE2-CD1 4.29Å; F437-L451 HydrophobicContact CE2-CD2 4.13Å; F437-L451 HydrophobicContact CE2-CG 4.3Å; F437-L451 HydrophobicContact CZ-CB 3.71Å; F437-L451 HydrophobicContact CZ-CD2 4.14Å; F437-L451 HydrophobicContact CZ-CG 4.45Å; L438-L451 CarbonylContact O-C 3.54Å; L438-L451 VanDerWaalsContact O-CA 3.24Å; L438-L451 WeakPolarHBondContact O-CA 3.39Å; L448-L451 HydrophobicContact CD2-CD2 4.06Å; L451-E475 HydrophobicContact CD1-CG 3.89Å; L451-H477 HydrophobicContact CD1-CB 4Å; L451-H477 HydrophobicContact CG-CB 4.06Å; L451-H477 PolarHBondContact N-O 3.39Å; L451-H477 PolarHBondContact O-N 3.48Å; L451-Y479 HydrophobicContact CD2-CE2 4.1Å
452	L	98.7	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.2	169.3	-177.4	152	0	0	0	109.6	L438 L454 V473 E475 L476 L502 M503 A506	L438-L452 HydrophobicContact CB-CB 4.33Å; L438-L452 HydrophobicContact CD1-CD2 4.21Å; L438-L452 PolarHBondContact N-O 3.33Å; L438-L452 PolarHBondContact O-N 3.14Å; L452-L454 HydrophobicContact CD2-CB 3.76Å; L452-V473 HydrophobicContact CD1-CG1 3.88Å; L452-V473 HydrophobicContact CD1-CG2 4.34Å; L452-V473 HydrophobicContact CD2-CG1 4.14Å; L452-V473 HydrophobicContact CD2-CG2 4.35Å; L452-V473 HydrophobicContact CG-CG1 3.81Å; L452-E475 CarbonylContact C-O 3.56Å; L452-E475 VanDerWaalsContact CA-O 3.25Å; L452-E475 WeakPolarHBondContact CA-O 3.3Å; L452-L476 HydrophobicContact CB-CD1 4.25Å; L452-L476 HydrophobicContact CD1-CD1 4.14Å; L452-L502 HydrophobicContact CB-CB 4.09Å; L452-L502 HydrophobicContact CB-CD1 4.37Å; L452-L502 HydrophobicContact CB-CD2 4.26Å; L452-L502 HydrophobicContact CB-CG 4.48Å; L452-L502 HydrophobicContact CD1-CB 4.09Å; L452-M503 HydrophobicContact CD1-CG 4.37Å; L452-M503 HydrophobicContact CD1-SD 3.57Å; L452-M503 VanDerWaalsContact CD1-SD 3.57Å; L452-A506 HydrophobicContact CD1-CB 3.92Å; L452-A506 HydrophobicContact CD2-CB 3.79Å
453	R	98.8	Very high	92.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.5	172.4	-62.5	179.1	-169.6	-81.5	-18.6	109.2	D314 W360 F437 V473 R474 E475	D314-R453 WeakPolarHBondContact OD1-CD 3.31Å; D314-R453 IonicContact OD1-CZ 2.7Å; D314-R453 IonicContact OD1-NE 2.72Å; D314-R453 IonicContact OD1-NH1 3.76Å; D314-R453 PolarHBondContact OD1-NH1 3.34Å; W360-R453 PolarHBondContact O-NH1 2.9Å; W360-R453 PolarHBondContact O-NH2 3.42Å; F437-R453 HydrophobicContact CD2-CG 4.25Å; R453-V473 CarbonylContact O-C 3.59Å; R453-V473 WeakPolarHBondContact O-CA 3.35Å; R453-R474 HydrophobicContact CB-CB 4.02Å; R453-R474 PolarHBondContact O-N 2.85Å; R453-E475 HydrophobicContact CB-CB 4.22Å; R453-E475 HydrophobicContact CG-CB 4.09Å; R453-E475 IonicContact CZ-OE2 3.16Å; R453-E475 PolarHBondContact N-O 2.84Å; R453-E475 IonicContact NE-OE2 3.57Å; R453-E475 PolarHBondContact NE-OE2 3.48Å; R453-E475 IonicContact NH2-OE2 2.83Å
454	L	98.8	Very high	92.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136	175.9	177.8	70.9	0	0	0	108.9	E435 T436 L452 V473 A506 I509 L519	E435-L454 WeakPolarHBondContact CA-O 3.44Å; T436-L454 PolarHBondContact N-O 2.63Å; T436-L454 PolarHBondContact O-N 2.86Å; L452-L454 HydrophobicContact CD2-CB 3.76Å; L454-V473 HydrophobicContact CD1-CG2 4.07Å; L454-A506 HydrophobicContact CD1-CB 4.32Å; L454-A506 HydrophobicContact CD2-CB 4.28Å; L454-I509 HydrophobicContact CD2-CB 3.98Å; L454-I509 HydrophobicContact CD2-CG2 3.77Å; L454-L519 HydrophobicContact CD1-CD1 3.66Å
455	R	98.4	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.6	175	-178.3	-175.1	179.1	74.8	0.1	110.1	K276 D277 A430 N431 W434 E435 C457 S471 I472 R474	K276-R455 WeakPolarHBondContact O-CD 3.25Å; D277-R455 IonicContact OD1-CZ 3.28Å; D277-R455 IonicContact OD1-NE 3.84Å; D277-R455 PolarHBondContact OD1-NE 2.82Å; D277-R455 IonicContact OD1-NH2 3.45Å; D277-R455 PolarHBondContact OD1-NH2 2.93Å; D277-R455 IonicContact OD2-NH2 3.35Å; A430-R455 PolarHBondContact O-NH1 3.36Å; A430-R455 PolarHBondContact O-NH2 3.11Å; N431-R455 PolarHBondContact O-NH2 3.39Å; W434-R455 WeakPolarHBondContact O-CA 3.44Å; E435-R455 WeakPolarHBondContact OE1-CD 3.18Å; E435-R455 WeakPolarHBondContact OE1-CG 3.36Å; E435-R455 IonicContact OE1-CZ 3.26Å; E435-R455 IonicContact OE1-NE 3.98Å; E435-R455 IonicContact OE1-NH1 3.07Å; E435-R455 PolarHBondContact OE1-NH1 3.35Å; R455-C457 PolarHBondContact O-N 2.75Å; R455-S471 CarbonylContact O-C 3.44Å; R455-S471 WeakPolarHBondContact O-CA 3.19Å; R455-I472 HydrophobicContact CB-CG2 3.97Å; R455-I472 PolarHBondContact N-O 2.83Å; R455-I472 PolarHBondContact O-N 2.71Å; R455-R474 HydrophobicContact CB-CG 4.25Å
456	R	96.6	Very high	93.6	Very high	121 Å²	121	30.3 Å²	30.3	46%	0.457	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.5	163.4	-173	177.1	179.4	-173.2	1.3	108.8	W434 S458 H514	W434-R456 HydrophobicContact CB-CB 4.3Å; W434-R456 PolarHBondContact O-N 3.28Å; R456-S458 PolarHBondContact O-N 2.9Å; R456-H514 HydrophobicContact CG-CB 4.16Å; R456-H514 PolarHBondContact NE-O 3.07Å
457	C	90.9	Very high	93.5	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.115	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-61	132.2	-179.1	-65.2	0	0	0	0	110.2	R455 V470	R455-C457 PolarHBondContact O-N 2.75Å; C457-V470 WeakPolarHBondContact CB-O 3.23Å; C457-V470 PolarHBondContact N-O 3.38Å; C457-V470 VanDerWaalsContact N-O 3.1Å; C457-V470 PolarHBondContact SG-O 2.72Å; C457-V470 VanDerWaalsContact SG-O 3.4Å
458	S	86.3	Confident	93.2	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-71	156.9	175.8	87.4	0	0	0	0	110.6	D277 R456 Q460 S461	D277-S458 VanDerWaalsContact CG-OG 3.27Å; D277-S458 WeakPolarHBondContact OD2-CB 3.15Å; D277-S458 PolarHBondContact OD2-OG 3.06Å; R456-S458 PolarHBondContact O-N 2.9Å; S458-Q460 PolarHBondContact O-N 3.32Å; S458-Q460 WeakPolarHBondContact OG-CB 3.38Å; S458-Q460 PolarHBondContact OG-N 2.9Å; S458-Q460 VanDerWaalsContact OG-N 3.08Å; S458-S461 WeakPolarHBondContact O-CB 3.44Å; S458-S461 PolarHBondContact O-N 2.72Å; S458-S461 PolarHBondContact OG-N 3.01Å
459	P	85.7	Confident	93.1	Very high	139 Å²	139	40.3 Å²	40.3	90%	0.903	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.3	169.8	-23.8	34.3	0	0	0	113.6	S461	P459-S461 VanDerWaalsContact C-N 3.3Å
460	Q	86.7	Confident	93.4	Very high	130 Å²	130	40.1 Å²	40.1	61%	0.607	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.7	179.5	-54.3	-178.1	18.1	0	0	112.6	S458 F462	S458-Q460 PolarHBondContact O-N 3.32Å; S458-Q460 WeakPolarHBondContact OG-CB 3.38Å; S458-Q460 PolarHBondContact OG-N 2.9Å; S458-Q460 VanDerWaalsContact OG-N 3.08Å; Q460-F462 PolarHBondContact O-N 2.89Å
461	S	91.2	Very high	93.6	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.028	23%	0.23	C	C	.	.			trans	-57.7	124.7	174.6	-169.5	0	0	0	0	110.3	D277 S458 P459	D277-S461 PolarHBondContact O-OG 3.34Å; S458-S461 WeakPolarHBondContact O-CB 3.44Å; S458-S461 PolarHBondContact O-N 2.72Å; S458-S461 PolarHBondContact OG-N 3.01Å; P459-S461 VanDerWaalsContact C-N 3.3Å
462	F	93.9	Very high	93.7	Very high	35 Å²	35	40.1 Å²	40.1	15%	0.154	23%	0.23	C	C	.	.			trans	-91.5	-14.7	-172.8	72.9	-88	0	0	0	112.9	K230 L233 L274 A278 Q460	K230-F462 HydrophobicContact CB-CD2 3.83Å; K230-F462 HydrophobicContact CB-CE2 3.85Å; K230-F462 HydrophobicContact CB-CG 4.18Å; K230-F462 HydrophobicContact CB-CZ 4.22Å; K230-F462 HydrophobicContact CD-CB 3.81Å; K230-F462 HydrophobicContact CD-CD1 4.43Å; K230-F462 HydrophobicContact CD-CD2 4.2Å; K230-F462 HydrophobicContact CD-CG 3.9Å; K230-F462 HydrophobicContact CG-CB 4.22Å; K230-F462 HydrophobicContact CG-CD1 3.92Å; K230-F462 HydrophobicContact CG-CD2 3.94Å; K230-F462 HydrophobicContact CG-CE1 4.26Å; K230-F462 HydrophobicContact CG-CE2 4.28Å; K230-F462 HydrophobicContact CG-CG 3.75Å; K230-F462 HydrophobicContact CG-CZ 4.44Å; K230-F462 WeakPolarHBondContact O-CE2 3.49Å; L233-F462 HydrophobicContact CB-CZ 3.91Å; L233-F462 HydrophobicContact CD1-CE1 3.99Å; L233-F462 HydrophobicContact CD1-CZ 4.21Å; L274-F462 HydrophobicContact CD2-CD1 4.17Å; A278-F462 HydrophobicContact CB-CE1 4.08Å; A278-F462 HydrophobicContact CB-CZ 4.36Å; Q460-F462 PolarHBondContact O-N 2.89Å
463	R	95.8	Very high	93.7	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.147	23%	0.23	C	C	.	.			trans	-78	125.7	-178.4	-71.2	-58.6	-49.1	-173.6	0.3	110.1	S234 L237 E465 L466 Y542	S234-R463 PolarHBondContact OG-NH1 3.05Å; L237-R463 HydrophobicContact CD1-CG 4.31Å; R463-E465 IonicContact CZ-OE1 2.91Å; R463-E465 IonicContact CZ-OE2 3.61Å; R463-E465 IonicContact NE-OE2 2.72Å; R463-E465 PolarHBondContact NE-OE2 3.46Å; R463-E465 VanDerWaalsContact NE-OE2 3.11Å; R463-E465 IonicContact NH2-OE1 2.91Å; R463-E465 PolarHBondContact NH2-OE1 3.23Å; R463-E465 IonicContact NH2-OE2 2.62Å; R463-E465 PolarHBondContact NH2-OE2 3.21Å; R463-E465 PolarHBondContact O-N 2.89Å; R463-L466 HydrophobicContact CB-CB 4.3Å; R463-L466 HydrophobicContact CB-CD1 4.17Å; R463-L466 HydrophobicContact CB-CG 4.1Å; R463-L466 PolarHBondContact O-N 2.95Å; R463-Y542 HydrophobicContact CB-CE2 4.46Å
464	P	95	Very high	93.7	Very high	89 Å²	89	40.4 Å²	40.4	58%	0.578	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-58.4	-34.8	-176.7	23.1	-32.8	0	0	0	112.3	L466 K467	P464-L466 PolarHBondContact O-N 3.49Å; P464-K467 PolarHBondContact O-N 3.05Å
465	E	95.9	Very high	93.6	Very high	18 Å²	18	41.9 Å²	41.9	8%	0.084	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.9	-21.4	-178.9	-51.5	89.7	162.6	0	0	113	R463 K518 E539 P541 Y542	R463-E465 IonicContact CZ-OE1 2.91Å; R463-E465 IonicContact CZ-OE2 3.61Å; R463-E465 IonicContact NE-OE2 2.72Å; R463-E465 PolarHBondContact NE-OE2 3.46Å; R463-E465 VanDerWaalsContact NE-OE2 3.11Å; R463-E465 IonicContact NH2-OE1 2.91Å; R463-E465 PolarHBondContact NH2-OE1 3.23Å; R463-E465 IonicContact NH2-OE2 2.62Å; R463-E465 PolarHBondContact NH2-OE2 3.21Å; R463-E465 PolarHBondContact O-N 2.89Å; E465-K518 WeakPolarHBondContact O-CE 3.44Å; E465-K518 PolarHBondContact O-NZ 2.92Å; E465-E539 WeakPolarHBondContact CA-OE1 3.43Å; E465-E539 WeakPolarHBondContact CB-OE1 3.48Å; E465-E539 HydrophobicContact CG-CG 4.15Å; E465-P541 WeakPolarHBondContact OE1-CD 3.44Å; E465-Y542 HydrophobicContact CB-CD2 3.89Å; E465-Y542 HydrophobicContact CB-CE2 4.19Å; E465-Y542 HydrophobicContact CG-CD2 4.25Å
466	L	95.7	Very high	93.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-106	9.4	-174.7	-56.5	-175	0	0	0	113.4	D277 R463 P464 V470 I472 A520 Y542	D277-L466 WeakPolarHBondContact O-CD1 3.21Å; R463-L466 HydrophobicContact CB-CB 4.3Å; R463-L466 HydrophobicContact CB-CD1 4.17Å; R463-L466 HydrophobicContact CB-CG 4.1Å; R463-L466 PolarHBondContact O-N 2.95Å; P464-L466 PolarHBondContact O-N 3.49Å; L466-V470 HydrophobicContact CD2-CG1 4.11Å; L466-I472 HydrophobicContact CD1-CD1 3.74Å; L466-I472 HydrophobicContact CD2-CD1 3.97Å; L466-A520 HydrophobicContact CD2-CB 3.47Å; L466-A520 VanDerWaalsContact CD2-CB 3.47Å; L466-Y542 HydrophobicContact CD1-CE1 4.25Å; L466-Y542 HydrophobicContact CD1-CE2 4.08Å; L466-Y542 HydrophobicContact CD2-CD2 4.23Å; L466-Y542 HydrophobicContact CD2-CE2 4.14Å; L466-Y542 HydrophobicContact CD2-CG 4.49Å; L466-Y542 HydrophobicContact CG-CD2 4.49Å; L466-Y542 HydrophobicContact CG-CE2 3.94Å
467	K	91.8	Very high	93.4	Very high	128 Å²	128	39 Å²	39	56%	0.557	23%	0.231	S	C	*	.			trans	-88.3	155.6	177.3	-69.8	-174.9	179	-174.9	0	112	P464 V470	P464-K467 PolarHBondContact O-N 3.05Å; K467-V470 VanDerWaalsContact O-CG2 3.24Å; K467-V470 WeakPolarHBondContact O-CG2 3.39Å
468	G	84.8	Confident	93.2	Very high	66 Å²	66	40.7 Å²	40.7	68%	0.68	24%	0.24	S	C	*	.	S	Bend	trans	91.3	24.6	167.4	0	0	0	0	0	116.1	H517	G468-H517 PolarHBondContact O-CE1 3.33Å; G468-H517 PolarHBondContact O-ND1 2.94Å
469	G	89.9	Confident	93	Very high	41 Å²	41	40.4 Å²	40.4	42%	0.423	24%	0.237	S	C	.	.	S	Bend	trans	89.3	60.4	-178.3	0	0	0	0	0	111.7	S516 H517	G469-S516 WeakPolarHBondContact O-CA 3.44Å; G469-S516 WeakPolarHBondContact O-CB 3.44Å; G469-H517 PolarHBondContact O-CE1 3.5Å; G469-H517 PolarHBondContact O-N 2.97Å; G469-H517 PolarHBondContact O-ND1 3.5Å
470	V	95.8	Very high	91.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.5	-179.2	-177.8	0	0	0	0	108.4	C457 L466 K467 K518 A520	C457-V470 WeakPolarHBondContact CB-O 3.23Å; C457-V470 PolarHBondContact N-O 3.38Å; C457-V470 VanDerWaalsContact N-O 3.1Å; C457-V470 PolarHBondContact SG-O 2.72Å; C457-V470 VanDerWaalsContact SG-O 3.4Å; L466-V470 HydrophobicContact CD2-CG1 4.11Å; K467-V470 VanDerWaalsContact O-CG2 3.24Å; K467-V470 WeakPolarHBondContact O-CG2 3.39Å; V470-K518 WeakPolarHBondContact CA-O 3.39Å; V470-K518 HydrophobicContact CG1-CB 4.41Å; V470-K518 WeakPolarHBondContact CG1-O 3.46Å; V470-K518 HydrophobicContact CG2-CB 4.22Å; V470-A520 HydrophobicContact CG1-CB 4.22Å
471	S	97.9	Very high	90	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	154.7	164.9	-68.3	0	0	0	0	109.8	R455 H514 S516 K518 L519 A520	R455-S471 CarbonylContact O-C 3.44Å; R455-S471 WeakPolarHBondContact O-CA 3.19Å; S471-H514 PolarHBondContact OG-ND1 2.86Å; S471-S516 PolarHBondContact N-OG 3.44Å; S471-S516 PolarHBondContact OG-OG 2.78Å; S471-K518 PolarHBondContact N-O 2.91Å; S471-K518 VanDerWaalsContact N-O 3.1Å; S471-L519 WeakPolarHBondContact O-CA 3.45Å; S471-L519 WeakPolarHBondContact O-CD1 3.39Å; S471-A520 PolarHBondContact O-N 3.38Å
472	I	98.5	Very high	87.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.8	-178.9	-173.9	158.2	0	0	0	111.7	G279 R455 L466 R474 A520 Y542	G279-I472 VanDerWaalsContact CA-CD1 3.43Å; R455-I472 HydrophobicContact CB-CG2 3.97Å; R455-I472 PolarHBondContact N-O 2.83Å; R455-I472 PolarHBondContact O-N 2.71Å; L466-I472 HydrophobicContact CD1-CD1 3.74Å; L466-I472 HydrophobicContact CD2-CD1 3.97Å; I472-R474 HydrophobicContact CG2-CG 4.2Å; I472-A520 CarbonylContact C-O 3.51Å; I472-A520 VanDerWaalsContact CA-O 3.31Å; I472-A520 WeakPolarHBondContact CA-O 3.18Å; I472-A520 HydrophobicContact CB-CB 4.45Å; I472-A520 HydrophobicContact CD1-CB 4.39Å; I472-A520 HydrophobicContact CG1-CB 4.27Å; I472-Y542 HydrophobicContact CD1-CD1 4.03Å; I472-Y542 HydrophobicContact CD1-CE1 3.75Å
473	V	98.8	Very high	84.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.6	164.9	-179.7	0	0	0	0	108.3	L452 R453 L454 M503 A506 L519 A520 V521 I522	L452-V473 HydrophobicContact CD1-CG1 3.88Å; L452-V473 HydrophobicContact CD1-CG2 4.34Å; L452-V473 HydrophobicContact CD2-CG1 4.14Å; L452-V473 HydrophobicContact CD2-CG2 4.35Å; L452-V473 HydrophobicContact CG-CG1 3.81Å; R453-V473 CarbonylContact O-C 3.59Å; R453-V473 WeakPolarHBondContact O-CA 3.35Å; L454-V473 HydrophobicContact CD1-CG2 4.07Å; V473-M503 HydrophobicContact CG1-SD 4.3Å; V473-M503 HydrophobicContact CG2-CE 4.23Å; V473-M503 HydrophobicContact CG2-SD 4.25Å; V473-A506 HydrophobicContact CG2-CB 4.31Å; V473-L519 HydrophobicContact CG2-CD1 3.98Å; V473-L519 HydrophobicContact CG2-CD2 4.15Å; V473-L519 HydrophobicContact CG2-CG 4.22Å; V473-A520 PolarHBondContact N-O 3.41Å; V473-V521 HydrophobicContact CB-CB 4.41Å; V473-V521 HydrophobicContact CB-CG1 4.14Å; V473-V521 HydrophobicContact CB-CG2 4.06Å; V473-V521 HydrophobicContact CG1-CG1 4.3Å; V473-V521 HydrophobicContact CG2-CG2 4.33Å; V473-I522 WeakPolarHBondContact O-CG2 3.48Å; V473-I522 PolarHBondContact O-N 2.86Å
474	R	98.6	Very high	81.6	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-26.8	-175.3	-60.1	177.4	54.7	-124.9	-9.1	112.8	G279 F280 D314 E435 R453 R455 I472 I522	G279-R474 WeakPolarHBondContact O-CA 3.18Å; G279-R474 VanDerWaalsContact O-CB 3.31Å; G279-R474 WeakPolarHBondContact O-CB 3.43Å; G279-R474 WeakPolarHBondContact O-CG 3.47Å; F280-R474 PolarHBondContact O-NE 3.08Å; F280-R474 PolarHBondContact O-NH2 3.03Å; D314-R474 IonicContact OD1-CZ 3.56Å; D314-R474 IonicContact OD1-NH1 3.63Å; D314-R474 PolarHBondContact OD1-NH1 3.45Å; D314-R474 VanDerWaalsContact OD1-NH1 3.1Å; D314-R474 IonicContact OD1-NH2 3.38Å; D314-R474 IonicContact OD2-CZ 2.95Å; D314-R474 IonicContact OD2-NH1 2.82Å; D314-R474 IonicContact OD2-NH2 2.73Å; D314-R474 PolarHBondContact OD2-NH2 3.07Å; E435-R474 IonicContact OE1-CZ 3.24Å; E435-R474 IonicContact OE1-NE 3.48Å; E435-R474 IonicContact OE1-NH1 2.72Å; E435-R474 PolarHBondContact OE1-NH1 3.08Å; E435-R474 IonicContact OE2-CZ 2.84Å; E435-R474 IonicContact OE2-NH1 3.14Å; E435-R474 PolarHBondContact OE2-NH1 2.61Å; R453-R474 HydrophobicContact CB-CB 4.02Å; R453-R474 PolarHBondContact O-N 2.85Å; R455-R474 HydrophobicContact CB-CG 4.25Å; I472-R474 HydrophobicContact CG2-CG 4.2Å; R474-I522 WeakPolarHBondContact O-CG2 3.24Å
475	E	97.9	Very high	78.7	Confident	30 Å²	30	38.5 Å²	38.5	14%	0.14	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	137.7	177.3	-179.1	172.2	-147.8	0	0	109	K281 L451 L452 R453 H477	K281-E475 WeakPolarHBondContact CD-OE2 3.34Å; K281-E475 VanDerWaalsContact CE-OE2 3.28Å; K281-E475 WeakPolarHBondContact CE-OE2 3.47Å; K281-E475 IonicContact NZ-OE1 3.32Å; K281-E475 PolarHBondContact NZ-OE1 3.34Å; K281-E475 IonicContact NZ-OE2 2.9Å; K281-E475 PolarHBondContact NZ-OE2 3.1Å; L451-E475 HydrophobicContact CD1-CG 3.89Å; L452-E475 CarbonylContact C-O 3.56Å; L452-E475 VanDerWaalsContact CA-O 3.25Å; L452-E475 WeakPolarHBondContact CA-O 3.3Å; R453-E475 HydrophobicContact CB-CB 4.22Å; R453-E475 HydrophobicContact CG-CB 4.09Å; R453-E475 IonicContact CZ-OE2 3.16Å; R453-E475 PolarHBondContact N-O 2.84Å; R453-E475 IonicContact NE-OE2 3.57Å; R453-E475 PolarHBondContact NE-OE2 3.48Å; R453-E475 IonicContact NH2-OE2 2.83Å; E475-H477 HydrophobicContact CG-CB 4.32Å
476	L	96.7	Very high	75.6	Confident	30 Å²	30	43 Å²	43	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.5	160.7	170.2	66.6	0	0	0	106.9	L452 L502 M503 Y530 Y531	L452-L476 HydrophobicContact CB-CD1 4.25Å; L452-L476 HydrophobicContact CD1-CD1 4.14Å; L476-L502 HydrophobicContact CD1-CB 4.03Å; L476-L502 HydrophobicContact CD1-CD1 3.84Å; L476-M503 HydrophobicContact CD2-CG 3.91Å; L476-M503 HydrophobicContact CD2-SD 4.12Å; L476-Y530 HydrophobicContact CD2-CE1 3.71Å; L476-Y531 HydrophobicContact CD2-CE1 4.26Å
477	H	92.9	Very high	72.7	Confident	31 Å²	31	45 Å²	45	14%	0.144	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120.3	-179.4	-159.8	99.1	0	0	0	110.5	G450 L451 E475 Y479	G450-H477 CarbonylContact C-O 3.53Å; G450-H477 VanDerWaalsContact CA-O 3.25Å; G450-H477 WeakPolarHBondContact CA-O 3.46Å; L451-H477 HydrophobicContact CD1-CB 4Å; L451-H477 HydrophobicContact CG-CB 4.06Å; L451-H477 PolarHBondContact N-O 3.39Å; L451-H477 PolarHBondContact O-N 3.48Å; E475-H477 HydrophobicContact CG-CB 4.32Å; H477-Y479 AromaticContact CD2-CD1 3.58Å; H477-Y479 AromaticContact CD2-CE1 3.29Å; H477-Y479 WeakPolarHBondContact CD2-CE1 3.17Å; H477-Y479 AromaticContact CD2-CZ 3.52Å; H477-Y479 AromaticContact NE2-CD1 3.57Å; H477-Y479 AromaticContact NE2-CE1 3.3Å; H477-Y479 VanDerWaalsContact NE2-CE1 3.3Å; H477-Y479 WeakPolarHBondContact NE2-CE1 3.38Å; H477-Y479 AromaticContact NE2-CZ 3.99Å
478	V	88.2	Confident	70.2	Confident	53 Å²	53	50 Å²	50	32%	0.321	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.4	174.7	-177.4	0	0	0	0	108	F498	V478-F498 HydrophobicContact CG1-CB 4.23Å; V478-F498 HydrophobicContact CG2-CB 4.43Å
479	Y	80.9	Confident	67.9	Low	5 Å²	5	50.3 Å²	50.3	2%	0.02	30%	0.295	C	S	.	.			trans	-79.9	134.9	176.6	-59.6	-74.9	0	0	0	109.5	R362 V402 E406 L448 I449 L451 H477	R362-Y479 PolarHBondContact NH1-OH 2.98Å; V402-Y479 WeakPolarHBondContact CG1-OH 3.49Å; E406-Y479 HydrophobicContact CB-CD1 4Å; E406-Y479 HydrophobicContact CB-CD2 4.09Å; E406-Y479 HydrophobicContact CB-CE1 3.98Å; E406-Y479 HydrophobicContact CB-CE2 4.07Å; E406-Y479 HydrophobicContact CB-CG 4.07Å; E406-Y479 HydrophobicContact CG-CE1 4.49Å; E406-Y479 WeakPolarHBondContact OE2-CE1 3.41Å; L448-Y479 HydrophobicContact CD2-CE2 3.87Å; L448-Y479 HydrophobicContact CG-CD2 4.37Å; L448-Y479 HydrophobicContact CG-CE2 4.08Å; I449-Y479 WeakPolarHBondContact O-CA 2.99Å; I449-Y479 WeakPolarHBondContact O-CB 3.39Å; I449-Y479 WeakPolarHBondContact O-CD2 3.38Å; I449-Y479 PolarHBondContact O-N 2.62Å; L451-Y479 HydrophobicContact CD2-CE2 4.1Å; H477-Y479 AromaticContact CD2-CD1 3.58Å; H477-Y479 AromaticContact CD2-CE1 3.29Å; H477-Y479 WeakPolarHBondContact CD2-CE1 3.17Å; H477-Y479 AromaticContact CD2-CZ 3.52Å; H477-Y479 AromaticContact NE2-CD1 3.57Å; H477-Y479 AromaticContact NE2-CE1 3.3Å; H477-Y479 VanDerWaalsContact NE2-CE1 3.3Å; H477-Y479 WeakPolarHBondContact NE2-CE1 3.38Å; H477-Y479 AromaticContact NE2-CZ 3.99Å
480	G	63.3	Low	65.3	Low	23 Å²	23	53.2 Å²	53.2	24%	0.237	31%	0.306	C	S	.	.			trans	-179.8	151.6	176.6	0	0	0	0	0	110.6	V482	G480-V482 PolarHBondContact O-N 2.84Å; G480-V482 VanDerWaalsContact O-N 3.13Å
481	S	45.8	Very low	62.4	Low	70 Å²	70	57.7 Å²	57.7	49%	0.49	34%	0.338	S	S	.	.			trans	-58.5	120.4	171.3	58.9	0	0	0	0	108.3	V483	S481-V483 PolarHBondContact O-N 3.4Å
482	V	40.1	Very low	59.8	Low	54 Å²	54	63.3 Å²	63.3	33%	0.327	36%	0.362	S	S	.	.			trans	-54.7	103.6	173.4	-177	0	0	0	0	107.4	G480 P484	G480-V482 PolarHBondContact O-N 2.84Å; G480-V482 VanDerWaalsContact O-N 3.13Å; V482-P484 VanDerWaalsContact O-CD 3.32Å; V482-P484 WeakPolarHBondContact O-CD 3.45Å
483	V	34.7	Very low	56.8	Low	60 Å²	60	71.4 Å²	71.4	36%	0.364	40%	0.398	S	S	.	.			trans	-77.1	117	156.1	-174.7	0	0	0	0	104.1	S481 V485 S487 K492	S481-V483 PolarHBondContact O-N 3.4Å; V483-V485 PolarHBondContact O-N 3.2Å; V483-S487 WeakPolarHBondContact CG1-O 3.44Å; V483-S487 WeakPolarHBondContact CG1-OG 3.42Å; V483-K492 HydrophobicContact CG2-CD 4.38Å
484	P	31	Very low	54.1	Low	52 Å²	52	78.4 Å²	78.4	34%	0.338	43%	0.43	S	S	.	.			trans	-46.2	139.5	173.2	-26.3	31.1	0	0	0	110.1	V482 S486 S487	V482-P484 VanDerWaalsContact O-CD 3.32Å; V482-P484 WeakPolarHBondContact O-CD 3.45Å; P484-S486 PolarHBondContact O-N 2.78Å; P484-S487 WeakPolarHBondContact CD-OG 3.18Å; P484-S487 PolarHBondContact O-N 2.87Å; P484-S487 PolarHBondContact O-OG 3.35Å
485	V	33.8	Very low	51.8	Low	138 Å²	138	82.1 Å²	82.1	84%	0.836	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.9	178.7	178.8	0	0	0	0	111.7	V483	V483-V485 PolarHBondContact O-N 3.2Å
486	S	29.7	Very low	49.7	Very low	113 Å²	113	88.8 Å²	88.8	79%	0.79	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.4	179.3	54.6	0	0	0	0	116	P484	P484-S486 PolarHBondContact O-N 2.78Å
487	S	36.8	Very low	49	Very low	43 Å²	43	88.5 Å²	88.5	30%	0.301	48%	0.483	S	S	.	.			trans	-113.9	79.3	179.9	63.7	0	0	0	0	110.6	V483 P484 D489	V483-S487 WeakPolarHBondContact CG1-O 3.44Å; V483-S487 WeakPolarHBondContact CG1-OG 3.42Å; P484-S487 WeakPolarHBondContact CD-OG 3.18Å; P484-S487 PolarHBondContact O-N 2.87Å; P484-S487 PolarHBondContact O-OG 3.35Å; S487-D489 VanDerWaalsContact C-N 3.29Å; S487-D489 PolarHBondContact O-N 2.97Å
488	R	38.1	Very low	48.8	Very low	232 Å²	232	88.5 Å²	88.5	88%	0.875	48%	0.483	S	S	*	.			trans	-70.6	88	169.1	-66.5	179.7	179.8	-178.8	-1.3	108.4	P490	R488-P490 VanDerWaalsContact O-CD 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.42Å
489	D	36.6	Very low	48.9	Very low	73 Å²	73	86.2 Å²	86.2	39%	0.39	47%	0.47	S	S	.	.			trans	-83.4	108.3	167.4	-169.8	-16.9	0	0	0	108.2	S487 S491 K492	S487-D489 VanDerWaalsContact C-N 3.29Å; S487-D489 PolarHBondContact O-N 2.97Å; D489-S491 PolarHBondContact O-N 2.73Å; D489-S491 PolarHBondContact OD1-N 3.05Å; D489-S491 VanDerWaalsContact OD1-N 3.14Å; D489-S491 PolarHBondContact OD1-OG 2.96Å; D489-K492 HydrophobicContact CB-CG 4.45Å; D489-K492 PolarHBondContact O-N 3.12Å
490	P	35.7	Very low	49.4	Very low	103 Å²	103	90.5 Å²	90.5	67%	0.669	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.8	-176.1	-14.7	31.2	0	0	0	113	R488 F493	R488-P490 VanDerWaalsContact O-CD 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.42Å; P490-F493 WeakPolarHBondContact O-CD2 3.41Å; P490-F493 WeakPolarHBondContact O-CE2 3.31Å
491	S	35.4	Very low	50.9	Low	95 Å²	95	92.5 Å²	92.5	66%	0.664	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.5	-178.8	68.3	0	0	0	0	114	D489 F493	D489-S491 PolarHBondContact O-N 2.73Å; D489-S491 PolarHBondContact OD1-N 3.05Å; D489-S491 VanDerWaalsContact OD1-N 3.14Å; D489-S491 PolarHBondContact OD1-OG 2.96Å; S491-F493 PolarHBondContact O-N 3.05Å
492	K	43.3	Very low	53.4	Low	117 Å²	117	89.2 Å²	89.2	51%	0.509	47%	0.472	S	S	.	.			trans	-95	55.5	-179.9	-64.9	-170.3	-180	-173.6	0	112.5	V483 D489 Q494	V483-K492 HydrophobicContact CG2-CD 4.38Å; D489-K492 HydrophobicContact CB-CG 4.45Å; D489-K492 PolarHBondContact O-N 3.12Å; K492-Q494 PolarHBondContact O-N 3.22Å
493	F	33.9	Very low	56.1	Low	171 Å²	171	86.7 Å²	86.7	75%	0.75	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	13.1	-172.1	-116.3	-83.7	0	0	0	116.9	P490 S491	P490-F493 WeakPolarHBondContact O-CD2 3.41Å; P490-F493 WeakPolarHBondContact O-CE2 3.31Å; S491-F493 PolarHBondContact O-N 3.05Å
494	Q	43.5	Very low	59.1	Low	147 Å²	147	88.8 Å²	88.8	69%	0.687	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	2.5	-169.5	-93.9	179.4	-15.3	0	0	117.3	K492	K492-Q494 PolarHBondContact O-N 3.22Å
495	H	49.9	Very low	62.3	Low	84 Å²	84	88.1 Å²	88.1	39%	0.389	46%	0.455	S	S	.	.	S	Bend	trans	-129.8	7.4	-175.6	-61.5	-49.6	0	0	0	115.9	G497	H495-G497 PolarHBondContact O-N 3.18Å
496	Q	54.1	Low	65.4	Low	171 Å²	171	81.5 Å²	81.5	80%	0.799	42%	0.415	S	S	*	.	S	Bend	trans	-93.3	92.4	-179.3	-65.8	-174.7	5.3	0	0	109.6
497	G	80.3	Confident	68.6	Low	24 Å²	24	77.8 Å²	77.8	25%	0.247	39%	0.385	C	S	.	.	S	Bend	trans	150	-28.2	166.2	0	0	0	0	0	116.3	H495 G499 M500 M501	H495-G497 PolarHBondContact O-N 3.18Å; G497-G499 PolarHBondContact O-N 2.91Å; G497-G499 VanDerWaalsContact O-N 3.08Å; G497-M500 WeakPolarHBondContact O-CA 3.46Å; G497-M500 WeakPolarHBondContact O-CB 3.2Å; G497-M500 PolarHBondContact O-N 3.47Å; G497-M501 PolarHBondContact O-N 2.67Å
498	F	88.6	Confident	71.6	Confident	31 Å²	31	80.5 Å²	80.5	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-53.6	-39.5	-172.5	-68.1	-62.3	0	0	0	113.8	V421 Y440 I449 V478 M500 M501 L502	V421-F498 HydrophobicContact CG1-CE1 3.76Å; V421-F498 HydrophobicContact CG1-CZ 3.98Å; Y440-F498 AromaticContact CD1-CD1 3.88Å; Y440-F498 HydrophobicContact CD1-CD1 3.88Å; Y440-F498 AromaticContact CD1-CE1 3.88Å; Y440-F498 HydrophobicContact CD1-CE1 3.88Å; Y440-F498 HydrophobicContact CD2-CB 4.2Å; Y440-F498 AromaticContact CD2-CD1 3.5Å; Y440-F498 HydrophobicContact CD2-CD1 3.5Å; Y440-F498 VanDerWaalsContact CD2-CD1 3.5Å; Y440-F498 HydrophobicContact CD2-CE1 4.33Å; Y440-F498 HydrophobicContact CD2-CG 4.27Å; Y440-F498 HydrophobicContact CE1-CD1 4.23Å; Y440-F498 HydrophobicContact CE1-CE1 4.29Å; Y440-F498 AromaticContact CE2-CD1 3.91Å; Y440-F498 HydrophobicContact CE2-CD1 3.91Å; Y440-F498 AromaticContact CG-CD1 3.47Å; Y440-F498 HydrophobicContact CG-CD1 3.47Å; Y440-F498 VanDerWaalsContact CG-CD1 3.47Å; Y440-F498 AromaticContact CG-CE1 3.87Å; Y440-F498 HydrophobicContact CG-CE1 3.87Å; Y440-F498 HydrophobicContact CG-CG 4.45Å; I449-F498 HydrophobicContact CG2-CD2 3.8Å; I449-F498 HydrophobicContact CG2-CE2 3.8Å; I449-F498 HydrophobicContact CG2-CG 4.37Å; I449-F498 HydrophobicContact CG2-CZ 4.37Å; V478-F498 HydrophobicContact CG1-CB 4.23Å; V478-F498 HydrophobicContact CG2-CB 4.43Å; F498-M500 PolarHBondContact O-N 2.8Å; F498-M501 HydrophobicContact CB-CE 4.42Å; F498-M501 HydrophobicContact CD1-CE 3.36Å; F498-M501 HydrophobicContact CE1-CE 3.8Å; F498-M501 HydrophobicContact CG-CE 4.06Å; F498-M501 PolarHBondContact O-N 2.83Å; F498-L502 WeakPolarHBondContact O-CB 3.32Å; F498-L502 VanDerWaalsContact O-CG 3.22Å; F498-L502 WeakPolarHBondContact O-CG 3.19Å; F498-L502 PolarHBondContact O-N 3.09Å
499	G	91.6	Very high	74.4	Confident	5 Å²	5	69.5 Å²	69.5	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-37.2	176.7	0	0	0	0	0	113.5	G497 M503	G497-G499 PolarHBondContact O-N 2.91Å; G497-G499 VanDerWaalsContact O-N 3.08Å; G499-M503 VanDerWaalsContact O-CG 3.27Å; G499-M503 WeakPolarHBondContact O-CG 3.32Å; G499-M503 PolarHBondContact O-N 3.36Å; G499-M503 VanDerWaalsContact O-N 3.15Å
500	M	92.2	Very high	77.3	Confident	94 Å²	94	66 Å²	66	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-71.3	-45.8	176.7	-169.7	171.6	80.5	0	0	110.9	G497 F498 L502 M503 E504 M534	G497-M500 WeakPolarHBondContact O-CA 3.46Å; G497-M500 WeakPolarHBondContact O-CB 3.2Å; G497-M500 PolarHBondContact O-N 3.47Å; F498-M500 PolarHBondContact O-N 2.8Å; M500-L502 VanDerWaalsContact C-N 3.31Å; M500-L502 PolarHBondContact O-N 3.1Å; M500-M503 WeakPolarHBondContact O-CB 3.27Å; M500-M503 PolarHBondContact O-N 3.05Å; M500-M503 VanDerWaalsContact O-N 3.08Å; M500-E504 WeakPolarHBondContact O-CG 3.43Å; M500-E504 PolarHBondContact O-N 3.1Å; M500-M534 HydrophobicContact CB-CE 3.94Å; M500-M534 HydrophobicContact CG-CE 4.1Å
501	M	94.6	Very high	80.2	Confident	66 Å²	66	66.7 Å²	66.7	33%	0.325	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-38.3	177.4	-62.6	-173.8	-66.7	0	0	112.2	Y440 G497 F498 E504 E505	Y440-M501 HydrophobicContact CE1-CE 4.47Å; Y440-M501 HydrophobicContact CE2-CB 3.9Å; Y440-M501 HydrophobicContact CE2-CE 4.15Å; Y440-M501 WeakPolarHBondContact OH-CB 3.49Å; G497-M501 PolarHBondContact O-N 2.67Å; F498-M501 HydrophobicContact CB-CE 4.42Å; F498-M501 HydrophobicContact CD1-CE 3.36Å; F498-M501 HydrophobicContact CE1-CE 3.8Å; F498-M501 HydrophobicContact CG-CE 4.06Å; F498-M501 PolarHBondContact O-N 2.83Å; M501-E504 PolarHBondContact O-N 3.03Å; M501-E505 PolarHBondContact O-N 3.45Å
502	L	97.3	Very high	83.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-42.2	173.1	-76.2	168.1	0	0	0	111.7	L423 L438 Y440 L452 L476 F498 M500 A506	L423-L502 HydrophobicContact CD1-CD2 4.08Å; L438-L502 HydrophobicContact CB-CD2 3.79Å; Y440-L502 HydrophobicContact CD2-CD1 4.31Å; Y440-L502 HydrophobicContact CD2-CD2 3.9Å; Y440-L502 HydrophobicContact CD2-CG 3.81Å; Y440-L502 HydrophobicContact CE2-CD2 4.08Å; Y440-L502 HydrophobicContact CE2-CG 3.92Å; L452-L502 HydrophobicContact CB-CB 4.09Å; L452-L502 HydrophobicContact CB-CD1 4.37Å; L452-L502 HydrophobicContact CB-CD2 4.26Å; L452-L502 HydrophobicContact CB-CG 4.48Å; L452-L502 HydrophobicContact CD1-CB 4.09Å; L476-L502 HydrophobicContact CD1-CB 4.03Å; L476-L502 HydrophobicContact CD1-CD1 3.84Å; F498-L502 WeakPolarHBondContact O-CB 3.32Å; F498-L502 VanDerWaalsContact O-CG 3.22Å; F498-L502 WeakPolarHBondContact O-CG 3.19Å; F498-L502 PolarHBondContact O-N 3.09Å; M500-L502 VanDerWaalsContact C-N 3.31Å; M500-L502 PolarHBondContact O-N 3.1Å; L502-A506 WeakPolarHBondContact O-CB 3.47Å; L502-A506 PolarHBondContact O-N 3Å
503	M	97.9	Very high	85.6	Confident	2 Å²	2	63 Å²	63	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-41.7	177.4	-73.1	-61.4	-61	0	0	112	L452 V473 L476 G499 M500 E505 A506 E507 V521 Y531 M534 Y536	L452-M503 HydrophobicContact CD1-CG 4.37Å; L452-M503 HydrophobicContact CD1-SD 3.57Å; L452-M503 VanDerWaalsContact CD1-SD 3.57Å; V473-M503 HydrophobicContact CG1-SD 4.3Å; V473-M503 HydrophobicContact CG2-CE 4.23Å; V473-M503 HydrophobicContact CG2-SD 4.25Å; L476-M503 HydrophobicContact CD2-CG 3.91Å; L476-M503 HydrophobicContact CD2-SD 4.12Å; G499-M503 VanDerWaalsContact O-CG 3.27Å; G499-M503 WeakPolarHBondContact O-CG 3.32Å; G499-M503 PolarHBondContact O-N 3.36Å; G499-M503 VanDerWaalsContact O-N 3.15Å; M500-M503 WeakPolarHBondContact O-CB 3.27Å; M500-M503 PolarHBondContact O-N 3.05Å; M500-M503 VanDerWaalsContact O-N 3.08Å; M503-E505 VanDerWaalsContact C-N 3.35Å; M503-E505 PolarHBondContact O-N 3.33Å; M503-A506 PolarHBondContact O-N 3.26Å; M503-E507 WeakPolarHBondContact O-CG 3.35Å; M503-E507 PolarHBondContact O-N 3.49Å; M503-V521 HydrophobicContact CE-CG2 3.89Å; M503-Y531 HydrophobicContact CE-CD1 4.28Å; M503-Y531 HydrophobicContact CE-CE1 4.14Å; M503-Y531 HydrophobicContact SD-CE1 4.12Å; M503-M534 HydrophobicContact CB-SD 4.35Å; M503-M534 HydrophobicContact CG-SD 4.12Å; M503-Y536 HydrophobicContact CE-CE1 4.25Å; M503-Y536 HydrophobicContact CE-CE2 4.02Å; M503-Y536 WeakPolarHBondContact CE-OH 3.23Å
504	E	96.8	Very high	88.6	Confident	103 Å²	103	55 Å²	55	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-44.5	175.5	-74.1	169.6	179.8	0	0	111.5	M500 M501 E507 R508	M500-E504 WeakPolarHBondContact O-CG 3.43Å; M500-E504 PolarHBondContact O-N 3.1Å; M501-E504 PolarHBondContact O-N 3.03Å; E504-E507 PolarHBondContact O-N 3.41Å; E504-R508 PolarHBondContact O-N 3.33Å
505	E	98.2	Very high	91.1	Very high	38 Å²	38	50.5 Å²	50.5	18%	0.178	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-38.5	175.4	-178.3	62.5	-170.1	0	0	111.9	L423 L438 M501 M503 E507 R508 I509	L423-E505 HydrophobicContact CD2-CB 4.43Å; L423-E505 HydrophobicContact CD2-CG 4.02Å; L438-E505 HydrophobicContact CD1-CB 4.16Å; L438-E505 HydrophobicContact CD1-CG 3.84Å; L438-E505 HydrophobicContact CD2-CG 4.33Å; M501-E505 PolarHBondContact O-N 3.45Å; M503-E505 VanDerWaalsContact C-N 3.35Å; M503-E505 PolarHBondContact O-N 3.33Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.19Å; E505-R508 VanDerWaalsContact CD-NE 3.32Å; E505-R508 WeakPolarHBondContact O-CB 3.47Å; E505-R508 PolarHBondContact O-N 3.37Å; E505-R508 IonicContact OE1-CZ 3.1Å; E505-R508 VanDerWaalsContact OE1-CZ 3.3Å; E505-R508 IonicContact OE1-NE 3.7Å; E505-R508 PolarHBondContact OE1-NE 3.07Å; E505-R508 IonicContact OE1-NH2 3.49Å; E505-R508 PolarHBondContact OE1-NH2 3.06Å; E505-R508 WeakPolarHBondContact OE2-CD 3.45Å; E505-R508 IonicContact OE2-CZ 3.67Å; E505-R508 IonicContact OE2-NE 2.84Å; E505-R508 PolarHBondContact OE2-NE 3.5Å; E505-I509 HydrophobicContact CG-CD1 3.95Å; E505-I509 HydrophobicContact CG-CG1 4.42Å; E505-I509 WeakPolarHBondContact O-CG1 3.39Å; E505-I509 PolarHBondContact O-N 3.24Å
506	A	98.4	Very high	93.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-41	174.4	0	0	0	0	0	111.9	L438 L452 L454 V473 L502 M503 A510 L519	L438-A506 HydrophobicContact CD1-CB 4.38Å; L452-A506 HydrophobicContact CD1-CB 3.92Å; L452-A506 HydrophobicContact CD2-CB 3.79Å; L454-A506 HydrophobicContact CD1-CB 4.32Å; L454-A506 HydrophobicContact CD2-CB 4.28Å; V473-A506 HydrophobicContact CG2-CB 4.31Å; L502-A506 WeakPolarHBondContact O-CB 3.47Å; L502-A506 PolarHBondContact O-N 3Å; M503-A506 PolarHBondContact O-N 3.26Å; A506-A510 WeakPolarHBondContact O-CB 3.39Å; A506-A510 PolarHBondContact O-N 2.94Å; A506-L519 HydrophobicContact CB-CD2 4.48Å
507	E	98.2	Very high	95.2	Very high	34 Å²	34	41.7 Å²	41.7	16%	0.159	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-42.2	174	-73.9	178.8	-163.7	0	0	111.3	M503 E504 E505 R511 L519 Y536 K545 L547	M503-E507 WeakPolarHBondContact O-CG 3.35Å; M503-E507 PolarHBondContact O-N 3.49Å; E504-E507 PolarHBondContact O-N 3.41Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.19Å; E507-R511 VanDerWaalsContact O-CB 3.3Å; E507-R511 WeakPolarHBondContact O-CB 3.47Å; E507-R511 PolarHBondContact O-N 3.18Å; E507-L519 HydrophobicContact CB-CD2 4.38Å; E507-L519 HydrophobicContact CG-CD2 3.54Å; E507-Y536 WeakPolarHBondContact OE1-CE2 3.23Å; E507-Y536 PolarHBondContact OE1-OH 3.25Å; E507-K545 VanDerWaalsContact CD-NZ 3.28Å; E507-K545 WeakPolarHBondContact OE1-CD 3.3Å; E507-K545 IonicContact OE1-NZ 3.07Å; E507-K545 PolarHBondContact OE1-NZ 2.87Å; E507-K545 IonicContact OE2-NZ 2.78Å; E507-K545 PolarHBondContact OE2-NZ 3.43Å; E507-L547 HydrophobicContact CB-CD2 4.03Å; E507-L547 HydrophobicContact CG-CD2 3.89Å
508	R	97.9	Very high	96	Very high	101 Å²	101	41.2 Å²	41.2	38%	0.381	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-49.8	176.2	-168.5	-160.2	68.2	69	4.4	111.7	E504 E505 R511 G512 E513	E504-R508 PolarHBondContact O-N 3.33Å; E505-R508 VanDerWaalsContact CD-NE 3.32Å; E505-R508 WeakPolarHBondContact O-CB 3.47Å; E505-R508 PolarHBondContact O-N 3.37Å; E505-R508 IonicContact OE1-CZ 3.1Å; E505-R508 VanDerWaalsContact OE1-CZ 3.3Å; E505-R508 IonicContact OE1-NE 3.7Å; E505-R508 PolarHBondContact OE1-NE 3.07Å; E505-R508 IonicContact OE1-NH2 3.49Å; E505-R508 PolarHBondContact OE1-NH2 3.06Å; E505-R508 WeakPolarHBondContact OE2-CD 3.45Å; E505-R508 IonicContact OE2-CZ 3.67Å; E505-R508 IonicContact OE2-NE 2.84Å; E505-R508 PolarHBondContact OE2-NE 3.5Å; R508-R511 PolarHBondContact O-N 3.38Å; R508-G512 PolarHBondContact O-N 3.13Å; R508-E513 IonicContact CZ-OE1 3.6Å; R508-E513 IonicContact NH1-OE1 3.82Å; R508-E513 PolarHBondContact NH1-OE1 3.44Å; R508-E513 IonicContact NH2-OE1 3.24Å; R508-E513 PolarHBondContact NH2-OE1 3.33Å
509	I	98.1	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-46.8	179.4	-66.4	170.2	0	0	0	110.5	T436 L438 L454 E505 R511 E513 H514	T436-I509 HydrophobicContact CG2-CD1 4.13Å; L438-I509 HydrophobicContact CD1-CD1 4.07Å; L438-I509 HydrophobicContact CD2-CD1 3.82Å; L438-I509 HydrophobicContact CG-CD1 4.42Å; L454-I509 HydrophobicContact CD2-CB 3.98Å; L454-I509 HydrophobicContact CD2-CG2 3.77Å; E505-I509 HydrophobicContact CG-CD1 3.95Å; E505-I509 HydrophobicContact CG-CG1 4.42Å; E505-I509 WeakPolarHBondContact O-CG1 3.39Å; E505-I509 PolarHBondContact O-N 3.24Å; I509-R511 VanDerWaalsContact C-N 3.29Å; I509-R511 PolarHBondContact O-N 3.33Å; I509-E513 HydrophobicContact CG2-CB 4.29Å; I509-E513 WeakPolarHBondContact O-CA 3.19Å; I509-E513 WeakPolarHBondContact O-CB 3.5Å; I509-E513 PolarHBondContact O-N 2.83Å; I509-H514 PolarHBondContact O-N 2.8Å
510	A	97.8	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-42	179.1	0	0	0	0	0	111.7	A506 H514 G515 S516 L519 L547	A506-A510 WeakPolarHBondContact O-CB 3.39Å; A506-A510 PolarHBondContact O-N 2.94Å; A510-H514 WeakPolarHBondContact O-CB 3.4Å; A510-G515 PolarHBondContact O-N 2.83Å; A510-S516 VanDerWaalsContact O-CB 3.32Å; A510-S516 WeakPolarHBondContact O-CB 3.45Å; A510-S516 PolarHBondContact O-N 3.38Å; A510-L519 HydrophobicContact CB-CD1 4.1Å; A510-L547 HydrophobicContact CB-CD1 3.67Å
511	R	96.5	Very high	97.1	Very high	118 Å²	118	35.1 Å²	35.1	45%	0.445	19%	0.186	S	C	.	.	H	α-helix	trans	-73	-54.6	178.5	-174.6	175.4	60.6	-169.9	-1.6	112.3	E507 R508 I509 L547 Y548	E507-R511 VanDerWaalsContact O-CB 3.3Å; E507-R511 WeakPolarHBondContact O-CB 3.47Å; E507-R511 PolarHBondContact O-N 3.18Å; R508-R511 PolarHBondContact O-N 3.38Å; I509-R511 VanDerWaalsContact C-N 3.29Å; I509-R511 PolarHBondContact O-N 3.33Å; R511-L547 HydrophobicContact CB-CB 4.35Å; R511-L547 HydrophobicContact CB-CD1 4.16Å; R511-L547 HydrophobicContact CG-CB 4.5Å; R511-Y548 HydrophobicContact CG-CE1 3.92Å; R511-Y548 HydrophobicContact CG-CE2 4.41Å
512	G	96.1	Very high	97.3	Very high	63 Å²	63	32.7 Å²	32.7	65%	0.649	17%	0.174	S	C	*	.	H	α-helix	trans	-81.7	-36.4	-168.3	0	0	0	0	0	114.5	R508	R508-G512 PolarHBondContact O-N 3.13Å
513	E	96.6	Very high	97.3	Very high	72 Å²	72	33 Å²	33	34%	0.336	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-41.1	-171.5	-59	176.5	-141.3	0	0	112	R425 W434 R508 I509 G515	R425-E513 IonicContact CZ-OE1 2.55Å; R425-E513 IonicContact CZ-OE2 3.84Å; R425-E513 IonicContact NH1-OE1 3.51Å; R425-E513 PolarHBondContact NH1-OE1 3.37Å; R425-E513 IonicContact NH1-OE2 3.53Å; R425-E513 PolarHBondContact NH1-OE2 3.25Å; R425-E513 IonicContact NH2-OE2 3.11Å; R425-E513 PolarHBondContact NH2-OE2 3.05Å; W434-E513 HydrophobicContact CH2-CB 3.99Å; R508-E513 IonicContact CZ-OE1 3.6Å; R508-E513 IonicContact NH1-OE1 3.82Å; R508-E513 PolarHBondContact NH1-OE1 3.44Å; R508-E513 IonicContact NH2-OE1 3.24Å; R508-E513 PolarHBondContact NH2-OE1 3.33Å; I509-E513 HydrophobicContact CG2-CB 4.29Å; I509-E513 WeakPolarHBondContact O-CA 3.19Å; I509-E513 WeakPolarHBondContact O-CB 3.5Å; I509-E513 PolarHBondContact O-N 2.83Å; E513-G515 VanDerWaalsContact C-N 3.3Å
514	H	96.3	Very high	97.2	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	18%	0.178	C	C	.	.	S	Bend	trans	-78.5	-18.7	175.7	-61.5	-175.4	0	0	0	112.5	W434 R456 S471 I509 A510 S516	W434-H514 AromaticContact CD2-NE2 3.67Å; W434-H514 AromaticContact CE2-NE2 3.89Å; W434-H514 AromaticContact CE3-CD2 3.4Å; W434-H514 VanDerWaalsContact CE3-CD2 3.4Å; W434-H514 AromaticContact CE3-NE2 3.52Å; W434-H514 AromaticContact CH2-CD2 3.65Å; W434-H514 AromaticContact CH2-NE2 3.92Å; W434-H514 AromaticContact CZ3-CD2 3.18Å; W434-H514 WeakPolarHBondContact CZ3-CD2 3.47Å; W434-H514 AromaticContact CZ3-NE2 3.66Å; R456-H514 HydrophobicContact CG-CB 4.16Å; R456-H514 PolarHBondContact NE-O 3.07Å; S471-H514 PolarHBondContact OG-ND1 2.86Å; I509-H514 PolarHBondContact O-N 2.8Å; A510-H514 WeakPolarHBondContact O-CB 3.4Å; H514-S516 PolarHBondContact O-N 3.32Å
515	G	95.1	Very high	97.1	Very high	52 Å²	52	28.2 Å²	28.2	54%	0.536	16%	0.155	S	C	.	.			trans	63	30	-172.5	0	0	0	0	0	112.7	A510 E513	A510-G515 PolarHBondContact O-N 2.83Å; E513-G515 VanDerWaalsContact C-N 3.3Å
516	S	96	Very high	96.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	15%	0.151	C	C	.	.			trans	-81.8	143.1	-179.4	-59.6	0	0	0	0	111.1	G469 S471 A510 H514 Y548	G469-S516 WeakPolarHBondContact O-CA 3.44Å; G469-S516 WeakPolarHBondContact O-CB 3.44Å; S471-S516 PolarHBondContact N-OG 3.44Å; S471-S516 PolarHBondContact OG-OG 2.78Å; A510-S516 VanDerWaalsContact O-CB 3.32Å; A510-S516 WeakPolarHBondContact O-CB 3.45Å; A510-S516 PolarHBondContact O-N 3.38Å; H514-S516 PolarHBondContact O-N 3.32Å; S516-Y548 WeakPolarHBondContact O-CE2 3.45Å
517	H	95.7	Very high	96.7	Very high	68 Å²	68	28.7 Å²	28.7	32%	0.315	16%	0.162	S	C	.	.	S	Bend	trans	-92.7	-21.7	174.5	68.7	-81.5	0	0	0	112.5	G468 G469 Q546 L547 Y548	G468-H517 PolarHBondContact O-CE1 3.33Å; G468-H517 PolarHBondContact O-ND1 2.94Å; G469-H517 PolarHBondContact O-CE1 3.5Å; G469-H517 PolarHBondContact O-N 2.97Å; G469-H517 PolarHBondContact O-ND1 3.5Å; H517-Q546 PolarHBondContact O-OE1 3.41Å; H517-L547 PolarHBondContact O-N 2.85Å; H517-Y548 HydrophobicContact CB-CD2 4.02Å; H517-Y548 HydrophobicContact CB-CE2 4.17Å
518	K	96.6	Very high	96.6	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.065	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.6	-177.8	-175	168.4	73.2	172.2	0	110.6	E465 V470 S471 E539 V544	E465-K518 WeakPolarHBondContact O-CE 3.44Å; E465-K518 PolarHBondContact O-NZ 2.92Å; V470-K518 WeakPolarHBondContact CA-O 3.39Å; V470-K518 HydrophobicContact CG1-CB 4.41Å; V470-K518 WeakPolarHBondContact CG1-O 3.46Å; V470-K518 HydrophobicContact CG2-CB 4.22Å; S471-K518 PolarHBondContact N-O 2.91Å; S471-K518 VanDerWaalsContact N-O 3.1Å; K518-E539 VanDerWaalsContact NZ-CD 3.33Å; K518-E539 IonicContact NZ-OE1 3.76Å; K518-E539 PolarHBondContact NZ-OE1 3.41Å; K518-E539 IonicContact NZ-OE2 3.35Å; K518-E539 PolarHBondContact NZ-OE2 2.76Å; K518-V544 HydrophobicContact CD-CB 4.2Å; K518-V544 HydrophobicContact CD-CG1 4.42Å; K518-V544 HydrophobicContact CG-CB 4.36Å
519	L	98.3	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.6	169.9	-173.7	59.7	0	0	0	109.3	L454 S471 V473 A506 E507 A510 Y536 V544 K545 L547	L454-L519 HydrophobicContact CD1-CD1 3.66Å; S471-L519 WeakPolarHBondContact O-CA 3.45Å; S471-L519 WeakPolarHBondContact O-CD1 3.39Å; V473-L519 HydrophobicContact CG2-CD1 3.98Å; V473-L519 HydrophobicContact CG2-CD2 4.15Å; V473-L519 HydrophobicContact CG2-CG 4.22Å; A506-L519 HydrophobicContact CB-CD2 4.48Å; E507-L519 HydrophobicContact CB-CD2 4.38Å; E507-L519 HydrophobicContact CG-CD2 3.54Å; A510-L519 HydrophobicContact CB-CD1 4.1Å; L519-Y536 WeakPolarHBondContact CD2-OH 3.3Å; L519-V544 CarbonylContact O-C 3.41Å; L519-V544 WeakPolarHBondContact O-CA 3.32Å; L519-K545 PolarHBondContact N-O 2.67Å; L519-K545 PolarHBondContact O-N 3.01Å; L519-L547 HydrophobicContact CB-CD1 4.18Å; L519-L547 HydrophobicContact CB-CD2 3.89Å; L519-L547 HydrophobicContact CB-CG 4.19Å
520	A	98.5	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	154.7	175.4	0	0	0	0	0	111	L466 V470 S471 I472 V473 M543 V544	L466-A520 HydrophobicContact CD2-CB 3.47Å; L466-A520 VanDerWaalsContact CD2-CB 3.47Å; V470-A520 HydrophobicContact CG1-CB 4.22Å; S471-A520 PolarHBondContact O-N 3.38Å; I472-A520 CarbonylContact C-O 3.51Å; I472-A520 VanDerWaalsContact CA-O 3.31Å; I472-A520 WeakPolarHBondContact CA-O 3.18Å; I472-A520 HydrophobicContact CB-CB 4.45Å; I472-A520 HydrophobicContact CD1-CB 4.39Å; I472-A520 HydrophobicContact CG1-CB 4.27Å; V473-A520 PolarHBondContact N-O 3.41Å; A520-M543 CarbonylContact C-O 3.59Å; A520-M543 WeakPolarHBondContact CA-O 3.36Å; A520-V544 HydrophobicContact CB-CG1 4.1Å
521	V	98.7	Very high	96.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.2	175.3	-171	0	0	0	0	109.5	V473 M503 S523 Y531 Y536 Y542 M543	V473-V521 HydrophobicContact CB-CB 4.41Å; V473-V521 HydrophobicContact CB-CG1 4.14Å; V473-V521 HydrophobicContact CB-CG2 4.06Å; V473-V521 HydrophobicContact CG1-CG1 4.3Å; V473-V521 HydrophobicContact CG2-CG2 4.33Å; M503-V521 HydrophobicContact CE-CG2 3.89Å; V521-S523 VanDerWaalsContact C-N 3.3Å; V521-S523 PolarHBondContact O-N 2.97Å; V521-Y531 HydrophobicContact CB-CE1 4.47Å; V521-Y531 HydrophobicContact CG1-CD1 4.32Å; V521-Y531 HydrophobicContact CG1-CE1 3.76Å; V521-Y531 HydrophobicContact CG1-CE2 4.1Å; V521-Y531 HydrophobicContact CG2-CD1 4.29Å; V521-Y531 HydrophobicContact CG2-CE1 4.3Å; V521-Y536 HydrophobicContact CG2-CD1 3.96Å; V521-Y536 HydrophobicContact CG2-CE1 3.58Å; V521-Y542 WeakPolarHBondContact O-CA 3.46Å; V521-M543 HydrophobicContact CB-CB 4.26Å; V521-M543 PolarHBondContact N-O 3.1Å; V521-M543 PolarHBondContact O-N 3.44Å
522	I	98.3	Very high	96.1	Very high	14 Å²	14	30 Å²	30	7%	0.072	17%	0.172	C	C	.	.			trans	-80.3	78.8	169.1	-172.4	172.5	0	0	0	110.4	L237 G279 F280 V473 R474 Y542	L237-I522 HydrophobicContact CD2-CD1 3.81Å; L237-I522 HydrophobicContact CD2-CG1 4.35Å; G279-I522 WeakPolarHBondContact O-CG2 3.37Å; F280-I522 HydrophobicContact CD1-CD1 3.8Å; F280-I522 HydrophobicContact CE1-CD1 4.09Å; F280-I522 HydrophobicContact CG-CD1 4.12Å; V473-I522 WeakPolarHBondContact O-CG2 3.48Å; V473-I522 PolarHBondContact O-N 2.86Å; R474-I522 WeakPolarHBondContact O-CG2 3.24Å; I522-Y542 HydrophobicContact CB-CD1 4.29Å; I522-Y542 HydrophobicContact CB-CE1 4.33Å
523	S	97.1	Very high	96.1	Very high	8 Å²	8	36 Å²	36	6%	0.056	18%	0.18	C	C	.	.			trans	-82.6	137.2	-178.9	177.9	0	0	0	0	111.9	V521 T527 R528 Y531	V521-S523 VanDerWaalsContact C-N 3.3Å; V521-S523 PolarHBondContact O-N 2.97Å; S523-T527 PolarHBondContact OG-OG1 3.39Å; S523-R528 PolarHBondContact OG-N 2.93Å; S523-Y531 WeakPolarHBondContact OG-CD2 3.41Å; S523-Y531 WeakPolarHBondContact OG-CE2 3.45Å
524	G	95.8	Very high	95.9	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.031	17%	0.173	C	C	.	.			trans	-56.1	148.6	160.6	0	0	0	0	0	111.2	G526 T527 R528	G524-G526 VanDerWaalsContact C-N 3.29Å; G524-G526 PolarHBondContact O-N 3.41Å; G524-T527 PolarHBondContact N-OG1 3.24Å; G524-T527 PolarHBondContact O-N 3.07Å; G524-T527 PolarHBondContact O-OG1 3.07Å; G524-R528 PolarHBondContact O-N 2.94Å
525	V	95.5	Very high	95.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.8	-45.7	-173.7	176.9	0	0	0	0	111.3	V206 E210 T527 R528	V206-V525 HydrophobicContact CG1-CG1 3.94Å; V206-V525 HydrophobicContact CG1-CG2 3.76Å; V206-V525 HydrophobicContact CG2-CG2 4.41Å; V206-V525 VanDerWaalsContact O-CG1 3.23Å; V206-V525 WeakPolarHBondContact O-CG1 3.5Å; E210-V525 HydrophobicContact CB-CG1 3.89Å; V525-T527 PolarHBondContact O-N 3.27Å; V525-R528 PolarHBondContact O-N 2.9Å
526	G	94.3	Very high	96	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-71.7	-9.7	-179.5	0	0	0	0	0	115.4	C216 G524	C216-G526 WeakPolarHBondContact O-CA 3.47Å; C216-G526 PolarHBondContact O-N 3.12Å; G524-G526 VanDerWaalsContact C-N 3.29Å; G524-G526 PolarHBondContact O-N 3.41Å
527	T	94.2	Very high	96.1	Very high	38 Å²	38	41.1 Å²	41.1	23%	0.233	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-105.7	-3.7	179.4	56.5	0	0	0	0	113.8	V217 S523 G524 V525 N529 Y530	V217-T527 HydrophobicContact CB-CG2 3.93Å; V217-T527 HydrophobicContact CG1-CG2 3.72Å; S523-T527 PolarHBondContact OG-OG1 3.39Å; G524-T527 PolarHBondContact N-OG1 3.24Å; G524-T527 PolarHBondContact O-N 3.07Å; G524-T527 PolarHBondContact O-OG1 3.07Å; V525-T527 PolarHBondContact O-N 3.27Å; T527-N529 VanDerWaalsContact C-N 3.27Å; T527-N529 PolarHBondContact O-N 2.9Å; T527-Y530 WeakPolarHBondContact O-CB 3.46Å; T527-Y530 PolarHBondContact O-N 3.24Å
528	R	95.8	Very high	96.2	Very high	18 Å²	18	41.5 Å²	41.5	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-55	-38.9	-178.4	-70.6	175.6	171.1	171.7	-4.7	113.9	E210 S523 G524 V525 Y530 Y531 R532 M543	E210-R528 VanDerWaalsContact OE2-CD 3.23Å; E210-R528 WeakPolarHBondContact OE2-CD 3.35Å; E210-R528 IonicContact OE2-NH1 2.76Å; E210-R528 PolarHBondContact OE2-NH1 3.11Å; S523-R528 PolarHBondContact OG-N 2.93Å; G524-R528 PolarHBondContact O-N 2.94Å; V525-R528 PolarHBondContact O-N 2.9Å; R528-Y530 PolarHBondContact O-N 2.76Å; R528-Y531 PolarHBondContact O-N 2.78Å; R528-Y531 VanDerWaalsContact O-N 3.12Å; R528-R532 PolarHBondContact O-N 3.22Å; R528-M543 HydrophobicContact CB-CG 4.39Å; R528-M543 HydrophobicContact CB-SD 3.75Å; R528-M543 HydrophobicContact CG-CG 4.08Å; R528-M543 HydrophobicContact CG-SD 3.71Å
529	N	94.5	Very high	96.2	Very high	72 Å²	72	43.9 Å²	43.9	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-22	176.5	-77.3	-34.9	0	0	0	114.3	T527 R532 K533	T527-N529 VanDerWaalsContact C-N 3.27Å; T527-N529 PolarHBondContact O-N 2.9Å; N529-R532 PolarHBondContact OD1-NH1 2.62Å; N529-K533 WeakPolarHBondContact O-CG 3.09Å
530	Y	92.7	Very high	96.1	Very high	93 Å²	93	46.4 Å²	46.4	37%	0.365	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-47.4	172.2	174.6	-101	0	0	0	110.4	L476 T527 R528 K533 M534	L476-Y530 HydrophobicContact CD2-CE1 3.71Å; T527-Y530 WeakPolarHBondContact O-CB 3.46Å; T527-Y530 PolarHBondContact O-N 3.24Å; R528-Y530 PolarHBondContact O-N 2.76Å; Y530-K533 PolarHBondContact O-N 3.24Å; Y530-M534 HydrophobicContact CD1-CE 4.33Å; Y530-M534 HydrophobicContact CE1-CE 3.48Å; Y530-M534 VanDerWaalsContact CE1-CE 3.48Å; Y530-M534 HydrophobicContact CE1-SD 4.01Å; Y530-M534 HydrophobicContact CE2-CE 3.95Å; Y530-M534 WeakPolarHBondContact OH-CE 3.49Å
531	Y	96.5	Very high	96	Very high	15 Å²	15	47.3 Å²	47.3	6%	0.059	25%	0.251	C	S	.	.	H	α-helix	trans	-70.9	-32.9	179.4	-60.4	-75.1	0	0	0	112.8	L476 M503 V521 S523 R528 K533 M534 G535 Y536 M543	L476-Y531 HydrophobicContact CD2-CE1 4.26Å; M503-Y531 HydrophobicContact CE-CD1 4.28Å; M503-Y531 HydrophobicContact CE-CE1 4.14Å; M503-Y531 HydrophobicContact SD-CE1 4.12Å; V521-Y531 HydrophobicContact CB-CE1 4.47Å; V521-Y531 HydrophobicContact CG1-CD1 4.32Å; V521-Y531 HydrophobicContact CG1-CE1 3.76Å; V521-Y531 HydrophobicContact CG1-CE2 4.1Å; V521-Y531 HydrophobicContact CG2-CD1 4.29Å; V521-Y531 HydrophobicContact CG2-CE1 4.3Å; S523-Y531 WeakPolarHBondContact OG-CD2 3.41Å; S523-Y531 WeakPolarHBondContact OG-CE2 3.45Å; R528-Y531 PolarHBondContact O-N 2.78Å; R528-Y531 VanDerWaalsContact O-N 3.12Å; Y531-K533 PolarHBondContact O-N 3.07Å; Y531-M534 CarbonylContact O-C 3.55Å; Y531-M534 WeakPolarHBondContact O-CA 3.3Å; Y531-M534 WeakPolarHBondContact O-CB 3.42Å; Y531-M534 PolarHBondContact O-N 2.91Å; Y531-G535 PolarHBondContact O-N 2.86Å; Y531-Y536 WeakPolarHBondContact O-CB 3.4Å; Y531-Y536 WeakPolarHBondContact O-CD2 3.44Å; Y531-Y536 PolarHBondContact O-N 2.83Å; Y531-Y536 VanDerWaalsContact O-N 3.12Å; Y531-M543 HydrophobicContact CD2-CG 4.29Å; Y531-M543 HydrophobicContact CG-CB 4.47Å; Y531-M543 HydrophobicContact CG-CG 4.48Å
532	R	96.1	Very high	96	Very high	82 Å²	82	47.2 Å²	47.2	31%	0.309	25%	0.25	S	S	.	.	H	α-helix	trans	-57.6	-36.9	173.3	-69.1	-165.1	-172.8	90.6	1.3	113.2	E210 R528 N529 M534 G535 Y536 M543	E210-R532 IonicContact OE1-CZ 2.66Å; E210-R532 IonicContact OE1-NH1 2.81Å; E210-R532 PolarHBondContact OE1-NH1 2.72Å; E210-R532 IonicContact OE1-NH2 3.18Å; E210-R532 PolarHBondContact OE1-NH2 2.74Å; E210-R532 IonicContact OE2-NH2 3.53Å; R528-R532 PolarHBondContact O-N 3.22Å; N529-R532 PolarHBondContact OD1-NH1 2.62Å; R532-M534 PolarHBondContact O-N 2.93Å; R532-G535 PolarHBondContact O-N 3.06Å; R532-G535 VanDerWaalsContact O-N 3.07Å; R532-Y536 WeakPolarHBondContact CA-O 3.24Å; R532-M543 HydrophobicContact CG-CE 3.6Å
533	K	94.6	Very high	96	Very high	189 Å²	189	46.6 Å²	46.6	82%	0.822	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.7	175.6	-66.7	175	-178.3	-173.6	0	113.1	N529 Y530 Y531	N529-K533 WeakPolarHBondContact O-CG 3.09Å; Y530-K533 PolarHBondContact O-N 3.24Å; Y531-K533 PolarHBondContact O-N 3.07Å
534	M	93.8	Very high	96.1	Very high	37 Å²	37	46.9 Å²	46.9	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8.4	175.8	-60.9	175.9	170.5	0	0	112.8	M500 M503 Y530 Y531 R532 Y536 K545	M500-M534 HydrophobicContact CB-CE 3.94Å; M500-M534 HydrophobicContact CG-CE 4.1Å; M503-M534 HydrophobicContact CB-SD 4.35Å; M503-M534 HydrophobicContact CG-SD 4.12Å; Y530-M534 HydrophobicContact CD1-CE 4.33Å; Y530-M534 HydrophobicContact CE1-CE 3.48Å; Y530-M534 VanDerWaalsContact CE1-CE 3.48Å; Y530-M534 HydrophobicContact CE1-SD 4.01Å; Y530-M534 HydrophobicContact CE2-CE 3.95Å; Y530-M534 WeakPolarHBondContact OH-CE 3.49Å; Y531-M534 CarbonylContact O-C 3.55Å; Y531-M534 WeakPolarHBondContact O-CA 3.3Å; Y531-M534 WeakPolarHBondContact O-CB 3.42Å; Y531-M534 PolarHBondContact O-N 2.91Å; R532-M534 PolarHBondContact O-N 2.93Å; M534-Y536 HydrophobicContact CB-CD2 3.91Å; M534-Y536 HydrophobicContact CB-CE2 4.09Å; M534-K545 PolarHBondContact O-NZ 2.91Å
535	G	96	Very high	96.1	Very high	48 Å²	48	49.4 Å²	49.4	50%	0.495	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	18.5	-180	0	0	0	0	0	114.9	Y531 R532	Y531-G535 PolarHBondContact O-N 2.86Å; R532-G535 PolarHBondContact O-N 3.06Å; R532-G535 VanDerWaalsContact O-N 3.07Å
536	Y	97.8	Very high	96.2	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.012	28%	0.282	C	S	.	.			trans	-87.1	144.2	172.5	-69.8	-109.8	0	0	0	111.3	M503 E507 L519 V521 Y531 R532 M534 M543 V544 K545	M503-Y536 HydrophobicContact CE-CE1 4.25Å; M503-Y536 HydrophobicContact CE-CE2 4.02Å; M503-Y536 WeakPolarHBondContact CE-OH 3.23Å; E507-Y536 WeakPolarHBondContact OE1-CE2 3.23Å; E507-Y536 PolarHBondContact OE1-OH 3.25Å; L519-Y536 WeakPolarHBondContact CD2-OH 3.3Å; V521-Y536 HydrophobicContact CG2-CD1 3.96Å; V521-Y536 HydrophobicContact CG2-CE1 3.58Å; Y531-Y536 WeakPolarHBondContact O-CB 3.4Å; Y531-Y536 WeakPolarHBondContact O-CD2 3.44Å; Y531-Y536 PolarHBondContact O-N 2.83Å; Y531-Y536 VanDerWaalsContact O-N 3.12Å; R532-Y536 WeakPolarHBondContact CA-O 3.24Å; M534-Y536 HydrophobicContact CB-CD2 3.91Å; M534-Y536 HydrophobicContact CB-CE2 4.09Å; Y536-M543 HydrophobicContact CD1-CB 4.33Å; Y536-M543 WeakPolarHBondContact O-CE 3.42Å; Y536-V544 CarbonylContact C-O 3.52Å; Y536-V544 VanDerWaalsContact CA-O 3.24Å; Y536-V544 WeakPolarHBondContact CA-O 3.37Å; Y536-V544 VanDerWaalsContact CD1-C 3.47Å; Y536-K545 HydrophobicContact CD1-CB 3.61Å; Y536-K545 HydrophobicContact CD2-CB 4.11Å; Y536-K545 HydrophobicContact CD2-CD 3.98Å; Y536-K545 HydrophobicContact CE1-CB 3.54Å; Y536-K545 HydrophobicContact CE2-CD 3.58Å; Y536-K545 HydrophobicContact CE2-CG 4.47Å; Y536-K545 HydrophobicContact CG-CB 3.88Å; Y536-K545 HydrophobicContact CE2-CB 4.04Å
537	E	97.9	Very high	96.2	Very high	149 Å²	149	54.7 Å²	54.7	70%	0.696	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	159.2	176.6	-62.4	-173.8	171.9	0	0	111	M543 V544	E537-M543 CarbonylContact O-C 3.46Å; E537-M543 VanDerWaalsContact O-CA 3.3Å; E537-M543 WeakPolarHBondContact O-CA 3.46Å; E537-V544 PolarHBondContact N-O 2.91Å; E537-V544 PolarHBondContact O-N 3.02Å
538	L	97.4	Very high	95.7	Very high	76 Å²	76	58.6 Å²	58.6	40%	0.398	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.8	-179.6	-176	71.8	0	0	0	109.6	M543	L538-M543 HydrophobicContact CB-SD 4.1Å; L538-M543 HydrophobicContact CD1-SD 3.77Å
539	E	97.1	Very high	94.2	Very high	65 Å²	65	63.1 Å²	63.1	30%	0.304	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109.4	172.8	-172.8	-167.1	137.6	0	0	108.4	E465 K518 Y542 V544	E465-E539 WeakPolarHBondContact CA-OE1 3.43Å; E465-E539 WeakPolarHBondContact CB-OE1 3.48Å; E465-E539 HydrophobicContact CG-CG 4.15Å; K518-E539 VanDerWaalsContact NZ-CD 3.33Å; K518-E539 IonicContact NZ-OE1 3.76Å; K518-E539 PolarHBondContact NZ-OE1 3.41Å; K518-E539 IonicContact NZ-OE2 3.35Å; K518-E539 PolarHBondContact NZ-OE2 2.76Å; E539-Y542 PolarHBondContact O-N 3.27Å; E539-Y542 VanDerWaalsContact O-N 3.07Å; E539-Y542 PolarHBondContact N-O 2.9Å; E539-V544 HydrophobicContact CB-CB 4.34Å; E539-V544 HydrophobicContact CB-CG1 3.88Å; E539-V544 HydrophobicContact CB-CG2 3.48Å; E539-V544 VanDerWaalsContact CB-CG2 3.48Å; E539-V544 HydrophobicContact CG-CG2 4.48Å
540	G	95.5	Very high	92.4	Very high	52 Å²	52	64.2 Å²	64.2	54%	0.536	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-126	-172.7	0	0	0	0	0	111.4
541	P	96.6	Very high	90.2	Very high	20 Å²	20	68.1 Å²	68.1	13%	0.13	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.6	176.7	33.3	-31.7	0	0	0	114.1	L237 E465	L237-P541 HydrophobicContact CB-CB 3.87Å; L237-P541 HydrophobicContact CB-CG 4.02Å; L237-P541 HydrophobicContact CD1-CG 4.05Å; L237-P541 HydrophobicContact CD2-CB 4.47Å; L237-P541 HydrophobicContact CD2-CG 4.47Å; L237-P541 HydrophobicContact CG-CG 4.4Å; E465-P541 WeakPolarHBondContact OE1-CD 3.44Å
542	Y	98.5	Very high	87.6	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	152.5	-170.5	-54.1	-74.8	0	0	0	112.9	L237 A278 R463 E465 L466 I472 V521 I522 E539	L237-Y542 VanDerWaalsContact CD1-OH 3.27Å; L237-Y542 WeakPolarHBondContact CD1-OH 3.45Å; L237-Y542 HydrophobicContact CD2-CE1 4.19Å; A278-Y542 PolarHBondContact O-OH 3.45Å; R463-Y542 HydrophobicContact CB-CE2 4.46Å; E465-Y542 HydrophobicContact CB-CD2 3.89Å; E465-Y542 HydrophobicContact CB-CE2 4.19Å; E465-Y542 HydrophobicContact CG-CD2 4.25Å; L466-Y542 HydrophobicContact CD1-CE1 4.25Å; L466-Y542 HydrophobicContact CD1-CE2 4.08Å; L466-Y542 HydrophobicContact CD2-CD2 4.23Å; L466-Y542 HydrophobicContact CD2-CE2 4.14Å; L466-Y542 HydrophobicContact CD2-CG 4.49Å; L466-Y542 HydrophobicContact CG-CD2 4.49Å; L466-Y542 HydrophobicContact CG-CE2 3.94Å; I472-Y542 HydrophobicContact CD1-CD1 4.03Å; I472-Y542 HydrophobicContact CD1-CE1 3.75Å; V521-Y542 WeakPolarHBondContact O-CA 3.46Å; I522-Y542 HydrophobicContact CB-CD1 4.29Å; I522-Y542 HydrophobicContact CB-CE1 4.33Å; E539-Y542 PolarHBondContact O-N 3.27Å; E539-Y542 VanDerWaalsContact O-N 3.07Å; E539-Y542 PolarHBondContact N-O 2.9Å
543	M	98.4	Very high	84.8	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.2	162	-61.6	-59.6	-55.9	0	0	108.1	A520 V521 R528 Y531 R532 Y536 E537 L538	A520-M543 CarbonylContact C-O 3.59Å; A520-M543 WeakPolarHBondContact CA-O 3.36Å; V521-M543 HydrophobicContact CB-CB 4.26Å; V521-M543 PolarHBondContact N-O 3.1Å; V521-M543 PolarHBondContact O-N 3.44Å; R528-M543 HydrophobicContact CB-CG 4.39Å; R528-M543 HydrophobicContact CB-SD 3.75Å; R528-M543 HydrophobicContact CG-CG 4.08Å; R528-M543 HydrophobicContact CG-SD 3.71Å; Y531-M543 HydrophobicContact CD2-CG 4.29Å; Y531-M543 HydrophobicContact CG-CB 4.47Å; Y531-M543 HydrophobicContact CG-CG 4.48Å; R532-M543 HydrophobicContact CG-CE 3.6Å; Y536-M543 HydrophobicContact CD1-CB 4.33Å; Y536-M543 WeakPolarHBondContact O-CE 3.42Å; E537-M543 CarbonylContact O-C 3.46Å; E537-M543 VanDerWaalsContact O-CA 3.3Å; E537-M543 WeakPolarHBondContact O-CA 3.46Å; L538-M543 HydrophobicContact CB-SD 4.1Å; L538-M543 HydrophobicContact CD1-SD 3.77Å
544	V	98.2	Very high	84.3	Confident	14 Å²	14	77.3 Å²	77.3	9%	0.085	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.5	-174.2	-60.2	0	0	0	0	112	K518 L519 A520 Y536 E537 E539	K518-V544 HydrophobicContact CD-CB 4.2Å; K518-V544 HydrophobicContact CD-CG1 4.42Å; K518-V544 HydrophobicContact CG-CB 4.36Å; L519-V544 CarbonylContact O-C 3.41Å; L519-V544 WeakPolarHBondContact O-CA 3.32Å; A520-V544 HydrophobicContact CB-CG1 4.1Å; Y536-V544 CarbonylContact C-O 3.52Å; Y536-V544 VanDerWaalsContact CA-O 3.24Å; Y536-V544 WeakPolarHBondContact CA-O 3.37Å; Y536-V544 VanDerWaalsContact CD1-C 3.47Å; E537-V544 PolarHBondContact N-O 2.91Å; E537-V544 PolarHBondContact O-N 3.02Å; E539-V544 HydrophobicContact CB-CB 4.34Å; E539-V544 HydrophobicContact CB-CG1 3.88Å; E539-V544 HydrophobicContact CB-CG2 3.48Å; E539-V544 VanDerWaalsContact CB-CG2 3.48Å; E539-V544 HydrophobicContact CG-CG2 4.48Å
545	K	97.4	Very high	83.8	Confident	57 Å²	57	79.4 Å²	79.4	25%	0.248	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.3	172.4	-177.6	178.4	174.2	-171.7	0	109.6	E507 L519 M534 Y536	E507-K545 VanDerWaalsContact CD-NZ 3.28Å; E507-K545 WeakPolarHBondContact OE1-CD 3.3Å; E507-K545 IonicContact OE1-NZ 3.07Å; E507-K545 PolarHBondContact OE1-NZ 2.87Å; E507-K545 IonicContact OE2-NZ 2.78Å; E507-K545 PolarHBondContact OE2-NZ 3.43Å; L519-K545 PolarHBondContact N-O 2.67Å; L519-K545 PolarHBondContact O-N 3.01Å; M534-K545 PolarHBondContact O-NZ 2.91Å; Y536-K545 HydrophobicContact CD1-CB 3.61Å; Y536-K545 HydrophobicContact CD2-CB 4.11Å; Y536-K545 HydrophobicContact CD2-CD 3.98Å; Y536-K545 HydrophobicContact CE1-CB 3.54Å; Y536-K545 HydrophobicContact CE2-CD 3.58Å; Y536-K545 HydrophobicContact CE2-CG 4.47Å; Y536-K545 HydrophobicContact CG-CB 3.88Å; Y536-K545 HydrophobicContact CE2-CB 4.04Å
546	Q	96.4	Very high	83.1	Confident	107 Å²	107	81.1 Å²	81.1	50%	0.5	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.1	171.1	-61.4	-63.2	-16.3	0	0	109.3	H517	H517-Q546 PolarHBondContact O-OE1 3.41Å
547	L	94.1	Very high	82.2	Confident	14 Å²	14	85.7 Å²	85.7	7%	0.073	46%	0.464	C	S	.	.	S	Bend	trans	-90.2	-18.6	-175.8	-62.6	179.6	0	0	0	113	E507 A510 R511 H517 L519	E507-L547 HydrophobicContact CB-CD2 4.03Å; E507-L547 HydrophobicContact CG-CD2 3.89Å; A510-L547 HydrophobicContact CB-CD1 3.67Å; R511-L547 HydrophobicContact CB-CB 4.35Å; R511-L547 HydrophobicContact CB-CD1 4.16Å; R511-L547 HydrophobicContact CG-CB 4.5Å; H517-L547 PolarHBondContact O-N 2.85Å; L519-L547 HydrophobicContact CB-CD1 4.18Å; L519-L547 HydrophobicContact CB-CD2 3.89Å; L519-L547 HydrophobicContact CB-CG 4.19Å
548	Y	85	Confident	81.2	Confident	119 Å²	119	81.8 Å²	81.8	47%	0.467	45%	0.45	S	S	.	.	S	Bend	trans	-106.6	139	169.8	-59.5	-79.3	0	0	0	108.4	R511 S516 H517 A550	R511-Y548 HydrophobicContact CG-CE1 3.92Å; R511-Y548 HydrophobicContact CG-CE2 4.41Å; S516-Y548 WeakPolarHBondContact O-CE2 3.45Å; H517-Y548 HydrophobicContact CB-CD2 4.02Å; H517-Y548 HydrophobicContact CB-CE2 4.17Å; Y548-A550 PolarHBondContact O-N 3.11Å
549	P	64.1	Low	80.2	Confident	114 Å²	114	82.1 Å²	82.1	74%	0.74	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-57.5	141.4	168	24.1	-29.6	0	0	0	108.6	Q551	P549-Q551 PolarHBondContact O-N 3.48Å; P549-Q551 VanDerWaalsContact O-N 3.11Å
550	A	55.7	Low	78.9	Confident	94 Å²	94	83.4 Å²	83.4	78%	0.777	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-51.4	123.6	170.8	0	0	0	0	0	107.5	Y548 L552	Y548-A550 PolarHBondContact O-N 3.11Å; A550-L552 PolarHBondContact O-N 3.03Å
551	Q	46.8	Very low	77.7	Confident	176 Å²	176	85.8 Å²	85.8	82%	0.822	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-56.6	117.5	166.6	-77.5	178.9	-25.4	0	0	105.5	P549 D553	P549-Q551 PolarHBondContact O-N 3.48Å; P549-Q551 VanDerWaalsContact O-N 3.11Å; Q551-D553 VanDerWaalsContact C-N 3.28Å; Q551-D553 PolarHBondContact O-N 3.02Å
552	L	41.4	Very low	76.1	Confident	177 Å²	177	91.3 Å²	91.3	93%	0.927	49%	0.486	S	S	*	.			trans	-64.8	101.4	163.9	-77.7	156.7	0	0	0	104.3	A550	A550-L552 PolarHBondContact O-N 3.03Å
553	D	37.1	Very low	74.1	Confident	223 Å²	223	99.5 Å²	99.5	100%	1.193	53%	0.53	S	S	*	.			trans	-57.8	0	167.9	-76.4	-26.8	0	0	0	110.8	Q551	Q551-D553 VanDerWaalsContact C-N 3.28Å; Q551-D553 PolarHBondContact O-N 3.02Å

Retrieved 553 of 553 residues in 688.6 ms (Link to these results)

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