A0A3Q0KKH7_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 618 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	53.7	Low	247 Å²	247	138.7 Å²	138.7	100%	1.217	73%	0.73	S	S	*	*				0	95.9	0	-82.5	174	131.6	0	0	108
2	E	36.6	Very low	54.7	Low	182 Å²	182	133.3 Å²	133.3	85%	0.85	71%	0.71	S	S	*	*			trans	-65.5	153.8	149.5	-72.8	179	143.4	0	0	108.3
3	F	43.4	Very low	55.7	Low	184 Å²	184	129.8 Å²	129.8	81%	0.807	69%	0.692	S	S	*	*			trans	105.3	79.6	-179.2	-70.6	-77.5	0	0	0	116.5
4	T	50.4	Low	56.8	Low	134 Å²	134	125.1 Å²	125.1	82%	0.822	67%	0.674	S	S	*	*	S	Bend	trans	-144.6	0	140.4	50.1	0	0	0	0	115.2	F6	T4-F6 PolarHBondContact O-N 2.77Å
5	G	51.2	Low	57.4	Low	72 Å²	72	122.7 Å²	122.7	74%	0.742	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-14.6	179.9	0	0	0	0	0	116.1
6	F	49.8	Very low	58.4	Low	152 Å²	152	121.4 Å²	121.4	67%	0.667	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-4.2	-171.1	-105	-85.3	0	0	0	115.5	T4	T4-F6 PolarHBondContact O-N 2.77Å
7	S	59.4	Low	59.3	Low	80 Å²	80	120.6 Å²	120.6	56%	0.559	66%	0.657	S	S	*	*	H	α-helix	trans	-83.7	-41.1	-178.8	70.2	0	0	0	0	112.9	K9 R10 V11	S7-K9 PolarHBondContact O-N 3.01Å; S7-R10 PolarHBondContact O-N 2.91Å; S7-V11 VanDerWaalsContact O-CG2 3.32Å; S7-V11 WeakPolarHBondContact O-CG2 3.27Å; S7-V11 PolarHBondContact O-N 2.52Å
8	A	61.5	Low	60	Low	65 Å²	65	120.3 Å²	120.3	54%	0.537	65%	0.654	S	S	.	*	H	α-helix	trans	-62.7	-45.2	-172.8	0	0	0	0	0	112.8	R10 V11 C12	A8-R10 PolarHBondContact O-N 3.32Å; A8-V11 PolarHBondContact O-N 2.89Å; A8-C12 PolarHBondContact O-N 2.88Å; A8-C12 PolarHBondContact O-SG 2.7Å; A8-C12 VanDerWaalsContact O-SG 3.4Å
9	K	66.4	Low	60.5	Low	150 Å²	150	119.5 Å²	119.5	65%	0.652	65%	0.648	S	S	*	*	H	α-helix	trans	-63	-42.8	179.4	-169.9	175.1	-179.8	179.7	0	112	S7 V11 C12 D13	S7-K9 PolarHBondContact O-N 3.01Å; K9-V11 VanDerWaalsContact C-N 3.33Å; K9-V11 PolarHBondContact O-N 3.33Å; K9-C12 PolarHBondContact O-N 2.93Å; K9-D13 WeakPolarHBondContact O-CB 3.41Å; K9-D13 PolarHBondContact O-N 3.11Å
10	R	66.6	Low	61	Low	177 Å²	177	115.2 Å²	115.2	67%	0.668	63%	0.632	S	S	*	*	H	α-helix	trans	-67.9	-34.1	-179.4	-147.4	-172.2	-74.6	-170.7	-3.1	112.1	S7 A8 S14	S7-R10 PolarHBondContact O-N 2.91Å; A8-R10 PolarHBondContact O-N 3.32Å; R10-S14 WeakPolarHBondContact O-CB 3.39Å; R10-S14 PolarHBondContact O-N 3.44Å; R10-S14 VanDerWaalsContact O-N 3.07Å; R10-S14 PolarHBondContact O-OG 3.37Å
11	V	69.1	Low	61.4	Low	83 Å²	83	111.3 Å²	111.3	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-68.5	-44.6	173.2	173.7	0	0	0	0	110.9	S7 A8 K9 S14 L15	S7-V11 VanDerWaalsContact O-CG2 3.32Å; S7-V11 WeakPolarHBondContact O-CG2 3.27Å; S7-V11 PolarHBondContact O-N 2.52Å; A8-V11 PolarHBondContact O-N 2.89Å; K9-V11 VanDerWaalsContact C-N 3.33Å; K9-V11 PolarHBondContact O-N 3.33Å; V11-S14 PolarHBondContact O-N 2.84Å; V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 WeakPolarHBondContact O-CB 3.35Å; V11-L15 WeakPolarHBondContact O-CG 3.14Å; V11-L15 PolarHBondContact O-N 3.45Å
12	C	65.9	Low	63.1	Low	73 Å²	73	102.4 Å²	102.4	49%	0.493	59%	0.585	S	S	.	*	H	α-helix	trans	-60.8	-47.3	175.4	-72.6	0	0	0	0	112	A8 K9 S14 L15 V16	A8-C12 PolarHBondContact O-N 2.88Å; A8-C12 PolarHBondContact O-SG 2.7Å; A8-C12 VanDerWaalsContact O-SG 3.4Å; K9-C12 PolarHBondContact O-N 2.93Å; C12-S14 VanDerWaalsContact C-N 3.3Å; C12-S14 PolarHBondContact O-N 3.13Å; C12-L15 PolarHBondContact O-N 3.19Å; C12-V16 WeakPolarHBondContact O-CG2 3.35Å; C12-V16 PolarHBondContact O-N 3.19Å
13	D	67.7	Low	65	Low	89 Å²	89	98.4 Å²	98.4	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-61.8	-40.2	179.1	-65.9	-19	0	0	0	110.9	K9 V16 V17	K9-D13 WeakPolarHBondContact O-CB 3.41Å; K9-D13 PolarHBondContact O-N 3.11Å; D13-V16 PolarHBondContact O-N 3.38Å; D13-V17 WeakPolarHBondContact O-CG2 3.42Å; D13-V17 PolarHBondContact O-N 3.2Å; D13-V17 VanDerWaalsContact O-N 3.11Å
14	S	69.9	Low	66.4	Low	63 Å²	63	93.7 Å²	93.7	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-40.5	176.7	-57.1	0	0	0	0	112.5	R10 V11 C12 V17 I18	R10-S14 WeakPolarHBondContact O-CB 3.39Å; R10-S14 PolarHBondContact O-N 3.44Å; R10-S14 VanDerWaalsContact O-N 3.07Å; R10-S14 PolarHBondContact O-OG 3.37Å; V11-S14 PolarHBondContact O-N 2.84Å; C12-S14 VanDerWaalsContact C-N 3.3Å; C12-S14 PolarHBondContact O-N 3.13Å; S14-V17 PolarHBondContact O-N 3.1Å; S14-I18 VanDerWaalsContact O-CG1 3.27Å; S14-I18 WeakPolarHBondContact O-CG1 3.42Å; S14-I18 PolarHBondContact O-N 3.12Å
15	L	67.1	Low	67.3	Low	89 Å²	89	90.8 Å²	90.8	47%	0.466	54%	0.544	S	S	.	.	H	α-helix	trans	-64.9	-40.3	176.2	-81.3	166.6	0	0	0	111.8	V11 C12 V17 I18 I19	V11-L15 HydrophobicContact CG1-CD1 3.95Å; V11-L15 WeakPolarHBondContact O-CB 3.35Å; V11-L15 WeakPolarHBondContact O-CG 3.14Å; V11-L15 PolarHBondContact O-N 3.45Å; C12-L15 PolarHBondContact O-N 3.19Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.02Å; L15-I18 PolarHBondContact O-N 3.3Å; L15-I19 WeakPolarHBondContact O-CB 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.35Å
16	V	73	Confident	68.2	Low	103 Å²	103	88.9 Å²	88.9	62%	0.624	52%	0.524	S	S	*	.	H	α-helix	trans	-62.7	-40.9	175.8	172.1	0	0	0	0	110.8	C12 D13 G20	C12-V16 WeakPolarHBondContact O-CG2 3.35Å; C12-V16 PolarHBondContact O-N 3.19Å; D13-V16 PolarHBondContact O-N 3.38Å; V16-G20 WeakPolarHBondContact O-CA 3.35Å; V16-G20 PolarHBondContact O-N 2.89Å
17	V	74.1	Confident	69.1	Low	107 Å²	107	83.9 Å²	83.9	65%	0.648	51%	0.51	S	S	*	.	H	α-helix	trans	-66.7	-41.6	176.3	173.7	0	0	0	0	111.7	D13 S14 L15 G21	D13-V17 WeakPolarHBondContact O-CG2 3.42Å; D13-V17 PolarHBondContact O-N 3.2Å; D13-V17 VanDerWaalsContact O-N 3.11Å; S14-V17 PolarHBondContact O-N 3.1Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.02Å; V17-G21 PolarHBondContact O-N 3.3Å
18	I	71.3	Confident	69.5	Low	116 Å²	116	85 Å²	85	60%	0.595	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-46.7	179.1	-67.8	165.8	0	0	0	111.1	S14 L15 G21 A22	S14-I18 VanDerWaalsContact O-CG1 3.27Å; S14-I18 WeakPolarHBondContact O-CG1 3.42Å; S14-I18 PolarHBondContact O-N 3.12Å; L15-I18 PolarHBondContact O-N 3.3Å; I18-G21 PolarHBondContact O-N 3.41Å; I18-A22 WeakPolarHBondContact O-CB 3.31Å; I18-A22 PolarHBondContact O-N 3.3Å
19	I	70	Confident	69.8	Low	105 Å²	105	88 Å²	88	54%	0.538	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-44.3	178.4	-65.7	166.9	0	0	0	109.7	L15 G21 A22 V23	L15-I19 WeakPolarHBondContact O-CB 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.35Å; I19-G21 VanDerWaalsContact C-N 3.34Å; I19-G21 PolarHBondContact O-N 3.2Å; I19-A22 PolarHBondContact O-N 3.24Å; I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CB 3.31Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.14Å; I19-V23 PolarHBondContact O-N 3.37Å
20	G	70.8	Confident	69.7	Low	33 Å²	33	86 Å²	86	34%	0.34	51%	0.506	S	S	.	.	H	α-helix	trans	-58.3	-45.9	174.3	0	0	0	0	0	111.9	V16 A22 V23 V24	V16-G20 WeakPolarHBondContact O-CA 3.35Å; V16-G20 PolarHBondContact O-N 2.89Å; G20-A22 PolarHBondContact O-N 3.43Å; G20-V23 PolarHBondContact O-N 2.81Å; G20-V24 WeakPolarHBondContact O-CB 3.26Å; G20-V24 WeakPolarHBondContact O-CG2 3.42Å; G20-V24 PolarHBondContact O-N 3.37Å
21	G	69.4	Low	69.4	Low	34 Å²	34	83.4 Å²	83.4	35%	0.351	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-40.3	176.1	0	0	0	0	0	113.3	V17 I18 I19 S25	V17-G21 PolarHBondContact O-N 3.3Å; I18-G21 PolarHBondContact O-N 3.41Å; I19-G21 VanDerWaalsContact C-N 3.34Å; I19-G21 PolarHBondContact O-N 3.2Å; G21-S25 WeakPolarHBondContact O-CB 3.19Å; G21-S25 PolarHBondContact O-N 2.89Å; G21-S25 PolarHBondContact O-OG 2.95Å
22	A	71.7	Confident	68.6	Low	60 Å²	60	86.7 Å²	86.7	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-70.1	-40.1	177.7	0	0	0	0	0	112.4	I18 I19 G20 G26	I18-A22 WeakPolarHBondContact O-CB 3.31Å; I18-A22 PolarHBondContact O-N 3.3Å; I19-A22 PolarHBondContact O-N 3.24Å; G20-A22 PolarHBondContact O-N 3.43Å; A22-G26 PolarHBondContact O-N 3.08Å
23	V	75.6	Confident	67.8	Low	98 Å²	98	89.4 Å²	89.4	59%	0.594	51%	0.509	S	S	*	.	H	α-helix	trans	-66.9	-43.4	175.4	172.3	0	0	0	0	110.6	I19 G20 G26 A27	I19-V23 HydrophobicContact CG2-CG2 4.3Å; I19-V23 WeakPolarHBondContact O-CB 3.31Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.14Å; I19-V23 PolarHBondContact O-N 3.37Å; G20-V23 PolarHBondContact O-N 2.81Å; V23-G26 PolarHBondContact O-N 3.04Å; V23-A27 VanDerWaalsContact O-CB 3.25Å; V23-A27 WeakPolarHBondContact O-CB 3.27Å; V23-A27 PolarHBondContact O-N 3.34Å
24	V	74.5	Confident	66.8	Low	84 Å²	84	92.8 Å²	92.8	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-45.1	175.9	171.2	0	0	0	0	110.6	G20 G26 A27 I28	G20-V24 WeakPolarHBondContact O-CB 3.26Å; G20-V24 WeakPolarHBondContact O-CG2 3.42Å; G20-V24 PolarHBondContact O-N 3.37Å; V24-G26 PolarHBondContact O-N 3.05Å; V24-A27 PolarHBondContact O-N 2.95Å; V24-I28 HydrophobicContact CG1-CD1 3.65Å; V24-I28 HydrophobicContact CG1-CG1 4.34Å; V24-I28 WeakPolarHBondContact O-CB 3.47Å; V24-I28 WeakPolarHBondContact O-CG1 3.4Å; V24-I28 PolarHBondContact O-N 3.35Å
25	S	68.9	Low	65.6	Low	74 Å²	74	91.8 Å²	91.8	52%	0.517	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-39.5	176.9	-58.8	0	0	0	0	112.1	G21 I28 F29	G21-S25 WeakPolarHBondContact O-CB 3.19Å; G21-S25 PolarHBondContact O-N 2.89Å; G21-S25 PolarHBondContact O-OG 2.95Å; S25-I28 PolarHBondContact O-N 3.23Å; S25-F29 VanDerWaalsContact O-CB 3.25Å; S25-F29 WeakPolarHBondContact O-CB 3.32Å; S25-F29 PolarHBondContact O-N 2.83Å
26	G	68.6	Low	64.3	Low	32 Å²	32	92.2 Å²	92.2	33%	0.33	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-40.6	175	0	0	0	0	0	112.4	A22 V23 V24 F29 L30	A22-G26 PolarHBondContact O-N 3.08Å; V23-G26 PolarHBondContact O-N 3.04Å; V24-G26 PolarHBondContact O-N 3.05Å; G26-F29 PolarHBondContact O-N 2.79Å; G26-L30 WeakPolarHBondContact O-CB 3.46Å; G26-L30 VanDerWaalsContact O-CG 3.27Å; G26-L30 WeakPolarHBondContact O-CG 3.5Å; G26-L30 PolarHBondContact O-N 3.1Å
27	A	68.7	Low	62.8	Low	46 Å²	46	93.3 Å²	93.3	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-44.8	173.8	0	0	0	0	0	111.3	V23 V24 F29 L30 L31	V23-A27 VanDerWaalsContact O-CB 3.25Å; V23-A27 WeakPolarHBondContact O-CB 3.27Å; V23-A27 PolarHBondContact O-N 3.34Å; V24-A27 PolarHBondContact O-N 2.95Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 3.2Å; A27-L30 PolarHBondContact O-N 3.02Å; A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.34Å; A27-L31 WeakPolarHBondContact O-CG 3.33Å; A27-L31 PolarHBondContact O-N 3.44Å
28	I	69.6	Low	61.2	Low	105 Å²	105	93.1 Å²	93.1	54%	0.538	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-44.3	174	-69.2	166.3	0	0	0	110.2	V24 S25 L31 Y32	V24-I28 HydrophobicContact CG1-CD1 3.65Å; V24-I28 HydrophobicContact CG1-CG1 4.34Å; V24-I28 WeakPolarHBondContact O-CB 3.47Å; V24-I28 WeakPolarHBondContact O-CG1 3.4Å; V24-I28 PolarHBondContact O-N 3.35Å; S25-I28 PolarHBondContact O-N 3.23Å; I28-L31 PolarHBondContact O-N 2.93Å; I28-Y32 WeakPolarHBondContact O-CB 3.22Å; I28-Y32 PolarHBondContact O-N 2.83Å
29	F	67.9	Low	60.1	Low	126 Å²	126	89.7 Å²	89.7	55%	0.553	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-42.1	177.8	-179.8	-97.7	0	0	0	112.4	S25 G26 A27 Y32 R33	S25-F29 VanDerWaalsContact O-CB 3.25Å; S25-F29 WeakPolarHBondContact O-CB 3.32Å; S25-F29 PolarHBondContact O-N 2.83Å; G26-F29 PolarHBondContact O-N 2.79Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 3.2Å; F29-Y32 PolarHBondContact O-N 2.83Å; F29-R33 VanDerWaalsContact O-CB 3.26Å; F29-R33 WeakPolarHBondContact O-CB 3.38Å; F29-R33 PolarHBondContact O-N 2.89Å
30	L	63.4	Low	58.9	Low	109 Å²	109	85.3 Å²	85.3	57%	0.571	47%	0.465	S	S	*	.	H	α-helix	trans	-67.9	-39.2	176.8	-73.8	173.4	0	0	0	111.9	G26 A27 R34	G26-L30 WeakPolarHBondContact O-CB 3.46Å; G26-L30 VanDerWaalsContact O-CG 3.27Å; G26-L30 WeakPolarHBondContact O-CG 3.5Å; G26-L30 PolarHBondContact O-N 3.1Å; A27-L30 PolarHBondContact O-N 3.02Å; L30-R34 WeakPolarHBondContact O-CB 3.35Å; L30-R34 PolarHBondContact O-N 2.88Å
31	L	59.6	Low	57.5	Low	123 Å²	123	85.7 Å²	85.7	64%	0.644	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-42.4	173.1	-70.6	170.4	0	0	0	110.9	A27 I28 A35	A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.34Å; A27-L31 WeakPolarHBondContact O-CG 3.33Å; A27-L31 PolarHBondContact O-N 3.44Å; I28-L31 PolarHBondContact O-N 2.93Å; L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.81Å
32	Y	52.8	Low	56.4	Low	151 Å²	151	88.2 Å²	88.2	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-66.4	-42.8	176	-171	-96	0	0	0	112.4	I28 F29 A35 N36	I28-Y32 WeakPolarHBondContact O-CB 3.22Å; I28-Y32 PolarHBondContact O-N 2.83Å; F29-Y32 PolarHBondContact O-N 2.83Å; Y32-A35 WeakPolarHBondContact O-CB 3.5Å; Y32-A35 PolarHBondContact O-N 2.89Å; Y32-N36 PolarHBondContact O-N 3.38Å; Y32-N36 VanDerWaalsContact O-N 3.16Å
33	R	49.2	Very low	55.5	Low	131 Å²	131	92 Å²	92	49%	0.494	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-41.5	177.4	-163.3	-175.8	89.9	108	8.4	111.4	F29 A35 N36 E37	F29-R33 VanDerWaalsContact O-CB 3.26Å; F29-R33 WeakPolarHBondContact O-CB 3.38Å; F29-R33 PolarHBondContact O-N 2.89Å; R33-A35 VanDerWaalsContact C-N 3.33Å; R33-N36 PolarHBondContact O-N 3.49Å; R33-E37 PolarHBondContact O-N 3.42Å
34	R	46.4	Very low	55	Low	160 Å²	160	94.2 Å²	94.2	60%	0.604	48%	0.479	S	S	*	.	H	α-helix	trans	-66.8	-35	175.5	-163.9	175.2	-174.6	169.6	1.2	111.6	L30 N36 E37 E38	L30-R34 WeakPolarHBondContact O-CB 3.35Å; L30-R34 PolarHBondContact O-N 2.88Å; R34-N36 VanDerWaalsContact C-N 3.28Å; R34-N36 PolarHBondContact O-N 3.27Å; R34-E37 PolarHBondContact O-N 2.9Å; R34-E38 PolarHBondContact O-N 3.18Å
35	A	45.9	Very low	55.2	Low	42 Å²	42	91.7 Å²	91.7	35%	0.347	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-32.4	173.3	0	0	0	0	0	112.8	L31 Y32 R33 V39	L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.81Å; Y32-A35 WeakPolarHBondContact O-CB 3.5Å; Y32-A35 PolarHBondContact O-N 2.89Å; R33-A35 VanDerWaalsContact C-N 3.33Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å
36	N	40.1	Very low	56.1	Low	98 Å²	98	90.5 Å²	90.5	52%	0.524	45%	0.453	S	S	.	.	H	α-helix	trans	-77.6	-24.1	179	-81.8	-9.6	0	0	0	114.7	Y32 R33 R34 V39	Y32-N36 PolarHBondContact O-N 3.38Å; Y32-N36 VanDerWaalsContact O-N 3.16Å; R33-N36 PolarHBondContact O-N 3.49Å; R34-N36 VanDerWaalsContact C-N 3.28Å; R34-N36 PolarHBondContact O-N 3.27Å; N36-V39 WeakPolarHBondContact O-CG2 3.27Å
37	E	41.2	Very low	57.1	Low	125 Å²	125	90 Å²	90	58%	0.584	44%	0.442	S	S	*	.	H	α-helix	trans	-83.2	-28.7	177.5	-79.8	-179.9	167.6	0	0	112.9	R33 R34	R33-E37 PolarHBondContact O-N 3.42Å; R34-E37 PolarHBondContact O-N 2.9Å
38	E	39.3	Very low	58.3	Low	103 Å²	103	87.9 Å²	87.9	48%	0.481	43%	0.425	S	S	.	.			trans	-119.1	40.6	-174.4	-65.9	-173.5	165.7	0	0	113.8	R34 Y40 C41 Q42	R34-E38 PolarHBondContact O-N 3.18Å; E38-Y40 PolarHBondContact O-N 2.89Å; E38-C41 PolarHBondContact O-N 3.35Å; E38-Q42 PolarHBondContact OE2-NE2 2.88Å
39	V	48.5	Very low	59.4	Low	45 Å²	45	83.2 Å²	83.2	27%	0.273	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.6	-174.4	176.7	0	0	0	0	114.6	A35 N36 P52 A487	A35-V39 WeakPolarHBondContact O-CG2 3.3Å; N36-V39 WeakPolarHBondContact O-CG2 3.27Å; V39-P52 HydrophobicContact CG1-CB 4.11Å; V39-A487 HydrophobicContact CG1-CB 3.64Å
40	Y	44.4	Very low	60.6	Low	12 Å²	12	77.5 Å²	77.5	5%	0.047	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.9	-177	-84	-86.5	0	0	0	115.7	E38 V49 L51 P52 L115 K116 H119	E38-Y40 PolarHBondContact O-N 2.89Å; Y40-V49 HydrophobicContact CD1-CG1 4.41Å; Y40-V49 HydrophobicContact CD1-CG2 3.77Å; Y40-V49 HydrophobicContact CE1-CG2 4.49Å; Y40-V49 HydrophobicContact CG-CG2 4.46Å; Y40-V49 WeakPolarHBondContact O-CG2 3.49Å; Y40-L51 HydrophobicContact CE1-CD2 4.04Å; Y40-P52 HydrophobicContact CE2-CG 3.73Å; Y40-P52 VanDerWaalsContact OH-CD 3.31Å; Y40-P52 WeakPolarHBondContact OH-CD 3.36Å; Y40-L115 HydrophobicContact CD1-CB 4.27Å; Y40-L115 HydrophobicContact CE1-CB 4.02Å; Y40-K116 HydrophobicContact CD2-CB 3.66Å; Y40-K116 HydrophobicContact CD2-CD 4.08Å; Y40-K116 HydrophobicContact CD2-CG 4Å; Y40-K116 HydrophobicContact CE2-CB 3.42Å; Y40-K116 VanDerWaalsContact CE2-CB 3.42Å; Y40-K116 HydrophobicContact CE2-CD 4.14Å; Y40-K116 HydrophobicContact CE2-CG 3.62Å; Y40-K116 HydrophobicContact CG-CB 4.4Å; Y40-H119 WeakPolarHBondContact OH-CB 3.27Å; Y40-H119 VanDerWaalsContact OH-CG 3.29Å
41	C	42.8	Very low	62.1	Low	41 Å²	41	72.3 Å²	72.3	28%	0.277	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	1.1	-163.2	-64.6	0	0	0	0	119.8	E38	E38-C41 PolarHBondContact O-N 3.35Å
42	Q	44.8	Very low	63.7	Low	88 Å²	88	67.6 Å²	67.6	41%	0.411	33%	0.327	S	S	.	.	S	Bend	trans	-89.2	-21.8	-168.9	-73.8	-164.8	0.4	0	0	117.7	E38 F44	E38-Q42 PolarHBondContact OE2-NE2 2.88Å; Q42-F44 PolarHBondContact O-N 2.77Å
43	N	53.2	Low	65.5	Low	138 Å²	138	63 Å²	63	74%	0.738	31%	0.313	S	S	*	.	S	Bend	trans	-90.7	88.2	171.1	-73	-8.7	0	0	0	108.5	S45 S103	N43-S45 WeakPolarHBondContact O-CB 3.22Å; N43-S45 PolarHBondContact O-N 3.02Å; N43-S45 PolarHBondContact O-OG 2.8Å; N43-S45 VanDerWaalsContact O-OG 3.13Å; N43-S103 PolarHBondContact O-OG 3.17Å
44	F	64.6	Low	67.1	Low	146 Å²	146	60.7 Å²	60.7	64%	0.64	32%	0.315	S	S	*	.			trans	-52.7	93.3	163.8	-76.4	-89	0	0	0	108.2	Q42 Q104 A107	Q42-F44 PolarHBondContact O-N 2.77Å; F44-Q104 HydrophobicContact CD1-CG 4.35Å; F44-A107 HydrophobicContact CD1-CB 4.48Å; F44-A107 HydrophobicContact CE1-CB 3.89Å; F44-A107 HydrophobicContact CZ-CB 4.28Å
45	S	80.2	Confident	68.8	Low	30 Å²	30	59.1 Å²	59.1	21%	0.21	31%	0.309	C	S	.	.			trans	-136.7	155.2	-175.5	65.4	0	0	0	0	109.1	N43 L47 S103 Q104	N43-S45 WeakPolarHBondContact O-CB 3.22Å; N43-S45 PolarHBondContact O-N 3.02Å; N43-S45 PolarHBondContact O-OG 2.8Å; N43-S45 VanDerWaalsContact O-OG 3.13Å; S45-L47 PolarHBondContact O-N 2.88Å; S45-S103 PolarHBondContact N-OG 3.36Å; S45-S103 PolarHBondContact O-OG 2.84Å; S45-S103 PolarHBondContact OG-OG 3.36Å; S45-Q104 PolarHBondContact O-N 3.05Å
46	D	86.7	Confident	70.7	Confident	50 Å²	50	61 Å²	61	27%	0.267	31%	0.313	S	S	.	.	S	Bend	trans	-69.7	-8.4	171.5	61.7	-59	0	0	0	112.4	W438 T440 R491	D46-W438 VanDerWaalsContact O-CZ2 3.32Å; D46-W438 WeakPolarHBondContact O-CZ2 3.46Å; D46-W438 PolarHBondContact O-NE1 2.58Å; D46-T440 HydrophobicContact CB-CG2 4.23Å; D46-R491 IonicContact OD2-CZ 3.26Å; D46-R491 IonicContact OD2-NE 2.97Å; D46-R491 PolarHBondContact OD2-NE 2.79Å; D46-R491 IonicContact OD2-NH2 3.8Å; D46-R491 PolarHBondContact OD2-NH2 2.77Å
47	L	91.1	Very high	73.1	Confident	20 Å²	20	56.5 Å²	56.5	11%	0.105	29%	0.29	C	S	.	.	S	Bend	trans	-83.4	155.4	179.1	-62.9	-176.1	0	0	0	112	S45 S102 S103 I482 V489 R491	S45-L47 PolarHBondContact O-N 2.88Å; L47-S102 CarbonylContact O-C 3.57Å; L47-S102 WeakPolarHBondContact O-CA 3.35Å; L47-S103 PolarHBondContact O-N 2.87Å; L47-S103 PolarHBondContact O-OG 3.34Å; L47-I482 HydrophobicContact CD2-CG2 3.8Å; L47-V489 HydrophobicContact CB-CG1 4.13Å; L47-V489 HydrophobicContact CD1-CG1 4.31Å; L47-R491 HydrophobicContact CD1-CG 4.35Å; L47-R491 HydrophobicContact CD2-CG 3.75Å
48	P	92.5	Very high	75.6	Confident	3 Å²	3	51 Å²	51	2%	0.019	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-68.4	161.8	176.3	29.5	-31.6	0	0	0	110.9	C101 W438 I482 V489	P48-C101 WeakPolarHBondContact CA-O 3.39Å; P48-W438 HydrophobicContact CB-CE3 4.19Å; P48-W438 HydrophobicContact CB-CH2 3.75Å; P48-W438 HydrophobicContact CB-CZ2 4.26Å; P48-W438 HydrophobicContact CB-CZ3 3.7Å; P48-W438 HydrophobicContact CG-CD2 4.09Å; P48-W438 HydrophobicContact CG-CE3 3.82Å; P48-W438 HydrophobicContact CG-CH2 4.19Å; P48-W438 HydrophobicContact CG-CZ2 4.42Å; P48-W438 HydrophobicContact CG-CZ3 3.88Å; P48-I482 HydrophobicContact CG-CD1 3.32Å; P48-V489 HydrophobicContact CG-CG1 4.2Å
49	V	92.5	Very high	78.1	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.036	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.1	140.4	176.9	71.5	0	0	0	0	111.4	Y40 Q65 L99 L115	Y40-V49 HydrophobicContact CD1-CG1 4.41Å; Y40-V49 HydrophobicContact CD1-CG2 3.77Å; Y40-V49 HydrophobicContact CE1-CG2 4.49Å; Y40-V49 HydrophobicContact CG-CG2 4.46Å; Y40-V49 WeakPolarHBondContact O-CG2 3.49Å; V49-Q65 PolarHBondContact O-NE2 3.18Å; V49-Q65 VanDerWaalsContact O-NE2 3.08Å; V49-L99 HydrophobicContact CG1-CD2 3.95Å; V49-L115 HydrophobicContact CG1-CD1 4.31Å
50	G	94	Very high	80.3	Confident	6 Å²	6	44.4 Å²	44.4	6%	0.062	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-76.9	162	167.8	0	0	0	0	0	111.7	D486	G50-D486 CarbonylContact C-O 3.48Å; G50-D486 VanDerWaalsContact CA-O 3.25Å; G50-D486 WeakPolarHBondContact CA-O 3.5Å
51	L	95.2	Very high	82.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.229	C	C	.	.			trans	-110.4	129.8	179.1	-65.7	177.6	0	0	0	110.6	Y40 N61 M64 L95 L99 D486 A487	Y40-L51 HydrophobicContact CE1-CD2 4.04Å; L51-N61 HydrophobicContact CB-CB 4.11Å; L51-N61 WeakPolarHBondContact CB-OD1 3.33Å; L51-N61 HydrophobicContact CD1-CB 4.17Å; L51-N61 PolarHBondContact O-ND2 2.91Å; L51-M64 HydrophobicContact CD1-CB 3.94Å; L51-M64 HydrophobicContact CD1-CG 4.49Å; L51-L95 HydrophobicContact CD2-CD1 4.03Å; L51-L99 HydrophobicContact CD1-CD1 4.1Å; L51-L99 HydrophobicContact CD1-CD2 4.43Å; L51-L99 HydrophobicContact CD2-CD2 4.02Å; L51-L99 HydrophobicContact CG-CD2 4.16Å; L51-D486 PolarHBondContact N-O 3.25Å; L51-D486 CarbonylContact O-C 3.54Å; L51-D486 WeakPolarHBondContact O-CA 3.29Å; L51-D486 WeakPolarHBondContact O-CB 3.09Å; L51-A487 PolarHBondContact O-N 2.84Å
52	P	92.3	Very high	85.4	Confident	24 Å²	24	42.1 Å²	42.1	16%	0.156	22%	0.217	C	C	.	.			trans	-63.3	149.1	176.8	28.9	-34.2	0	0	0	110.4	V39 Y40 P54 N61 H119	V39-P52 HydrophobicContact CG1-CB 4.11Å; Y40-P52 HydrophobicContact CE2-CG 3.73Å; Y40-P52 VanDerWaalsContact OH-CD 3.31Å; Y40-P52 WeakPolarHBondContact OH-CD 3.36Å; P52-P54 WeakPolarHBondContact O-CD 3.37Å; P52-N61 PolarHBondContact O-ND2 2.69Å; P52-H119 PolarHBondContact O-CE1 3.39Å
53	N	90.7	Very high	88	Confident	53 Å²	53	38 Å²	38	28%	0.283	20%	0.197	S	C	.	.			trans	-116.3	77.5	175.6	-177.9	5	0	0	0	110.2	R55 N56 V57 D486	N53-R55 VanDerWaalsContact C-N 3.34Å; N53-R55 PolarHBondContact O-N 2.82Å; N53-N56 WeakPolarHBondContact OD1-CA 3.18Å; N53-N56 PolarHBondContact OD1-N 2.95Å; N53-N56 VanDerWaalsContact OD1-N 3.07Å; N53-V57 HydrophobicContact CB-CG2 4.48Å; N53-V57 WeakPolarHBondContact OD1-CG2 3.33Å; N53-V57 PolarHBondContact OD1-N 2.88Å; N53-D486 HydrophobicContact CB-CB 3.9Å; N53-D486 VanDerWaalsContact CB-OD2 3.22Å; N53-D486 WeakPolarHBondContact CB-OD2 3.46Å; N53-D486 PolarHBondContact ND2-OD2 2.72Å
54	P	83.9	Confident	90.1	Very high	84 Å²	84	31.4 Å²	31.4	55%	0.545	16%	0.162	S	C	.	.	S	Bend	trans	-75.3	-20.3	-175.7	29.8	-36.5	0	0	0	113.9	P52	P52-P54 WeakPolarHBondContact O-CD 3.37Å
55	R	81.6	Confident	91.7	Very high	126 Å²	126	24.6 Å²	24.6	48%	0.475	13%	0.132	S	C	.	.	S	Bend	trans	-149.7	46.1	-167	-61.4	-175.5	-175.1	-104.9	-1.5	114	N53 V57 H135	N53-R55 VanDerWaalsContact C-N 3.34Å; N53-R55 PolarHBondContact O-N 2.82Å; R55-V57 VanDerWaalsContact C-N 3.26Å; R55-V57 HydrophobicContact CB-CG1 4.3Å; R55-V57 PolarHBondContact O-N 3Å; R55-H135 PolarHBondContact NH1-CE1 3.24Å
56	N	85.6	Confident	92.6	Very high	82 Å²	82	23.1 Å²	23.1	44%	0.439	12%	0.122	S	C	.	.	S	Bend	trans	56.4	38.5	-177.9	-59.1	-27	0	0	0	113.4	N53 C58 H135	N53-N56 WeakPolarHBondContact OD1-CA 3.18Å; N53-N56 PolarHBondContact OD1-N 2.95Å; N53-N56 VanDerWaalsContact OD1-N 3.07Å; N56-C58 VanDerWaalsContact C-N 3.35Å; N56-H135 PolarHBondContact ND2-O 2.9Å
57	V	90.1	Very high	93.1	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.024	11%	0.109	C	C	.	.			trans	-95.3	21.5	-177.4	-62.3	0	0	0	0	112.9	N53 R55 Y59 F60 N61 I123	N53-V57 HydrophobicContact CB-CG2 4.48Å; N53-V57 WeakPolarHBondContact OD1-CG2 3.33Å; N53-V57 PolarHBondContact OD1-N 2.88Å; R55-V57 VanDerWaalsContact C-N 3.26Å; R55-V57 HydrophobicContact CB-CG1 4.3Å; R55-V57 PolarHBondContact O-N 3Å; V57-Y59 PolarHBondContact O-N 2.75Å; V57-F60 HydrophobicContact CB-CB 4.38Å; V57-F60 WeakPolarHBondContact O-CB 3.35Å; V57-F60 PolarHBondContact O-N 2.97Å; V57-N61 PolarHBondContact O-N 2.59Å; V57-I123 HydrophobicContact CB-CD1 4.28Å; V57-I123 HydrophobicContact CG1-CD1 4.2Å; V57-I123 HydrophobicContact CG1-CG1 4.35Å; V57-I123 HydrophobicContact CG1-CG2 3.89Å; V57-I123 HydrophobicContact CG2-CD1 3.95Å
58	C	93.6	Very high	93.4	Very high	8 Å²	8	19.9 Å²	19.9	5%	0.054	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-32.9	-179.3	55.7	0	0	0	0	112.4	N56 F60 N61 A62 H431	N56-C58 VanDerWaalsContact C-N 3.35Å; C58-F60 VanDerWaalsContact C-N 3.29Å; C58-F60 PolarHBondContact O-N 2.69Å; C58-N61 PolarHBondContact O-N 3.19Å; C58-A62 WeakPolarHBondContact O-CB 3.23Å; C58-A62 PolarHBondContact O-N 3.23Å; C58-H431 WeakPolarHBondContact CB-ND1 3.26Å
59	Y	93	Very high	93.6	Very high	10 Å²	10	20.2 Å²	20.2	4%	0.039	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-42	172.9	71.4	-86.4	0	0	0	112.1	V57 L63 W132 Q138 L143	V57-Y59 PolarHBondContact O-N 2.75Å; Y59-L63 WeakPolarHBondContact O-CB 3.3Å; Y59-L63 PolarHBondContact O-N 3.47Å; Y59-W132 AromaticContact CE2-CZ3 3.92Å; Y59-W132 HydrophobicContact CE2-CZ3 3.92Å; Y59-Q138 VanDerWaalsContact CB-O 3.26Å; Y59-Q138 WeakPolarHBondContact CB-O 3.25Å; Y59-Q138 HydrophobicContact CD1-CB 4.01Å; Y59-Q138 HydrophobicContact CD2-CB 3.85Å; Y59-Q138 HydrophobicContact CE1-CB 3.81Å; Y59-Q138 HydrophobicContact CE1-CG 4.07Å; Y59-Q138 HydrophobicContact CE2-CB 3.65Å; Y59-Q138 HydrophobicContact CE2-CG 4.3Å; Y59-Q138 HydrophobicContact CG-CB 4.04Å; Y59-L143 HydrophobicContact CD2-CD2 3.91Å; Y59-L143 HydrophobicContact CE2-CD2 3.88Å
60	F	94.4	Very high	93.7	Very high	1 Å²	1	20 Å²	20	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-70.5	-49.4	176.1	172.2	-91.2	0	0	0	110.5	V57 C58 A62 L63 M64 L95 H119 L122 I123 I126 L143	V57-F60 HydrophobicContact CB-CB 4.38Å; V57-F60 WeakPolarHBondContact O-CB 3.35Å; V57-F60 PolarHBondContact O-N 2.97Å; C58-F60 VanDerWaalsContact C-N 3.29Å; C58-F60 PolarHBondContact O-N 2.69Å; F60-A62 PolarHBondContact O-N 3.12Å; F60-L63 PolarHBondContact O-N 3.33Å; F60-L63 VanDerWaalsContact O-N 3.16Å; F60-M64 HydrophobicContact CD1-CG 4Å; F60-M64 HydrophobicContact CD2-CE 4.31Å; F60-M64 HydrophobicContact CD2-CG 4.34Å; F60-M64 HydrophobicContact CE1-CG 3.57Å; F60-M64 HydrophobicContact CE1-SD 4.4Å; F60-M64 HydrophobicContact CE2-CE 4.01Å; F60-M64 HydrophobicContact CE2-CG 3.93Å; F60-M64 HydrophobicContact CE2-SD 3.84Å; F60-M64 HydrophobicContact CG-CG 4.36Å; F60-M64 HydrophobicContact CZ-CE 4.48Å; F60-M64 HydrophobicContact CZ-CG 3.53Å; F60-M64 HydrophobicContact CZ-SD 3.74Å; F60-M64 VanDerWaalsContact O-CG 3.3Å; F60-M64 WeakPolarHBondContact O-CG 3.44Å; F60-M64 PolarHBondContact O-N 3.09Å; F60-L95 HydrophobicContact CE1-CD2 4.15Å; F60-L95 HydrophobicContact CZ-CD2 3.99Å; F60-H119 AromaticContact CD1-NE2 3.96Å; F60-H119 AromaticContact CE1-CD2 3.53Å; F60-H119 AromaticContact CE1-NE2 3.7Å; F60-L122 HydrophobicContact CE2-CB 4.11Å; F60-L122 HydrophobicContact CZ-CB 3.8Å; F60-L122 HydrophobicContact CZ-CD1 4.03Å; F60-I123 HydrophobicContact CD1-CD1 4.27Å; F60-I123 HydrophobicContact CD1-CG1 3.95Å; F60-I123 HydrophobicContact CE1-CD1 4.35Å; F60-I123 HydrophobicContact CE1-CG1 3.99Å; F60-I123 HydrophobicContact CG-CG1 4.37Å; F60-I123 HydrophobicContact CZ-CG1 4.44Å; F60-I126 HydrophobicContact CD2-CD1 3.55Å; F60-I126 HydrophobicContact CE2-CD1 3.52Å; F60-L143 HydrophobicContact CB-CD2 4.03Å; F60-L143 HydrophobicContact CD2-CD2 3.75Å; F60-L143 HydrophobicContact CG-CD2 4.36Å
61	N	96.6	Very high	93.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-47.2	-178.7	-72.4	-15.1	0	0	0	112.1	L51 P52 V57 C58 M64 Q65 H119 D486	L51-N61 HydrophobicContact CB-CB 4.11Å; L51-N61 WeakPolarHBondContact CB-OD1 3.33Å; L51-N61 HydrophobicContact CD1-CB 4.17Å; L51-N61 PolarHBondContact O-ND2 2.91Å; P52-N61 PolarHBondContact O-ND2 2.69Å; V57-N61 PolarHBondContact O-N 2.59Å; C58-N61 PolarHBondContact O-N 3.19Å; N61-M64 PolarHBondContact O-N 2.95Å; N61-Q65 VanDerWaalsContact O-CG 3.32Å; N61-Q65 WeakPolarHBondContact O-CG 3.4Å; N61-Q65 PolarHBondContact O-N 2.88Å; N61-H119 PolarHBondContact OD1-NE2 3.01Å; N61-D486 PolarHBondContact ND2-OD1 3Å
62	A	97.8	Very high	93.5	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-47.6	175.6	0	0	0	0	0	111	C58 F60 M64 Q65 A66 I420 T434	C58-A62 WeakPolarHBondContact O-CB 3.23Å; C58-A62 PolarHBondContact O-N 3.23Å; F60-A62 PolarHBondContact O-N 3.12Å; A62-M64 PolarHBondContact O-N 3.12Å; A62-Q65 PolarHBondContact O-N 2.82Å; A62-A66 WeakPolarHBondContact O-CB 3.4Å; A62-A66 PolarHBondContact O-N 3.47Å; A62-I420 HydrophobicContact CB-CG2 4.19Å; A62-T434 VanDerWaalsContact C-OG1 3.28Å; A62-T434 WeakPolarHBondContact CA-OG1 3.5Å; A62-T434 VanDerWaalsContact CB-OG1 3.25Å; A62-T434 WeakPolarHBondContact CB-OG1 3.26Å; A62-T434 PolarHBondContact O-OG1 2.96Å
63	L	97.9	Very high	93.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-43.8	178.2	-175.6	63.6	0	0	0	112.6	Y59 F60 Q65 A66 M67 L143 F144 I147 I420 F506	Y59-L63 WeakPolarHBondContact O-CB 3.3Å; Y59-L63 PolarHBondContact O-N 3.47Å; F60-L63 PolarHBondContact O-N 3.33Å; F60-L63 VanDerWaalsContact O-N 3.16Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 3.46Å; L63-A66 PolarHBondContact O-N 3.15Å; L63-M67 HydrophobicContact CD1-CG 4Å; L63-M67 HydrophobicContact CD1-SD 4.08Å; L63-M67 HydrophobicContact CD2-SD 4.19Å; L63-M67 HydrophobicContact CG-CG 4.17Å; L63-M67 HydrophobicContact CG-SD 3.76Å; L63-M67 WeakPolarHBondContact O-CB 3.37Å; L63-M67 VanDerWaalsContact O-CG 3.25Å; L63-M67 WeakPolarHBondContact O-CG 3.43Å; L63-M67 PolarHBondContact O-N 3.14Å; L63-L143 HydrophobicContact CB-CD2 4.49Å; L63-L143 HydrophobicContact CD2-CB 4Å; L63-L143 HydrophobicContact CD2-CD2 3.59Å; L63-L143 HydrophobicContact CD2-CG 3.56Å; L63-F144 HydrophobicContact CD1-CB 3.92Å; L63-F144 HydrophobicContact CD1-CD2 3.95Å; L63-F144 HydrophobicContact CD1-CG 4.28Å; L63-F144 HydrophobicContact CD2-CB 3.94Å; L63-I147 HydrophobicContact CD2-CD1 4.03Å; L63-I420 HydrophobicContact CB-CD1 4.33Å; L63-I420 HydrophobicContact CD1-CD1 3.91Å; L63-F506 HydrophobicContact CD1-CE2 4.42Å; L63-F506 HydrophobicContact CD1-CZ 3.76Å
64	M	98.1	Very high	93.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-42.7	178.2	-65.4	-55.7	96.2	0	0	111.7	L51 F60 N61 A62 A66 M67 A68 L92 L95 L96 L99 I147	L51-M64 HydrophobicContact CD1-CB 3.94Å; L51-M64 HydrophobicContact CD1-CG 4.49Å; F60-M64 HydrophobicContact CD1-CG 4Å; F60-M64 HydrophobicContact CD2-CE 4.31Å; F60-M64 HydrophobicContact CD2-CG 4.34Å; F60-M64 HydrophobicContact CE1-CG 3.57Å; F60-M64 HydrophobicContact CE1-SD 4.4Å; F60-M64 HydrophobicContact CE2-CE 4.01Å; F60-M64 HydrophobicContact CE2-CG 3.93Å; F60-M64 HydrophobicContact CE2-SD 3.84Å; F60-M64 HydrophobicContact CG-CG 4.36Å; F60-M64 HydrophobicContact CZ-CE 4.48Å; F60-M64 HydrophobicContact CZ-CG 3.53Å; F60-M64 HydrophobicContact CZ-SD 3.74Å; F60-M64 VanDerWaalsContact O-CG 3.3Å; F60-M64 WeakPolarHBondContact O-CG 3.44Å; F60-M64 PolarHBondContact O-N 3.09Å; N61-M64 PolarHBondContact O-N 2.95Å; A62-M64 PolarHBondContact O-N 3.12Å; M64-A66 VanDerWaalsContact C-N 3.35Å; M64-M67 HydrophobicContact CE-SD 3.82Å; M64-A68 VanDerWaalsContact O-CB 3.23Å; M64-A68 WeakPolarHBondContact O-CB 3.38Å; M64-A68 PolarHBondContact O-N 2.9Å; M64-L92 HydrophobicContact CE-CD1 3.92Å; M64-L92 HydrophobicContact SD-CD1 3.34Å; M64-L92 WeakPolarHBondContact SD-CD1 3.5Å; M64-L95 HydrophobicContact CB-CD2 4.39Å; M64-L95 HydrophobicContact CG-CD2 3.83Å; M64-L95 HydrophobicContact SD-CD2 4.04Å; M64-L96 WeakPolarHBondContact O-CD2 3.49Å; M64-L96 HydrophobicContact SD-CD2 4.27Å; M64-L99 HydrophobicContact CB-CD1 3.77Å; M64-I147 HydrophobicContact CE-CD1 3.8Å
65	Q	98.1	Very high	93.9	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-43.3	175	-68.9	-71.9	2.6	0	0	111.2	V49 N61 A62 L63 A68 A69 T434 R436 T484	V49-Q65 PolarHBondContact O-NE2 3.18Å; V49-Q65 VanDerWaalsContact O-NE2 3.08Å; N61-Q65 VanDerWaalsContact O-CG 3.32Å; N61-Q65 WeakPolarHBondContact O-CG 3.4Å; N61-Q65 PolarHBondContact O-N 2.88Å; A62-Q65 PolarHBondContact O-N 2.82Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 3.46Å; Q65-A68 PolarHBondContact O-N 2.94Å; Q65-A69 PolarHBondContact O-N 3.35Å; Q65-T434 HydrophobicContact CB-CG2 3.98Å; Q65-R436 VanDerWaalsContact O-CD 3.27Å; Q65-R436 WeakPolarHBondContact O-CD 3.43Å; Q65-R436 PolarHBondContact O-NE 2.94Å; Q65-R436 PolarHBondContact O-NH1 3.44Å; Q65-T484 WeakPolarHBondContact CB-OG1 3.34Å; Q65-T484 HydrophobicContact CG-CG2 4.17Å
66	A	98.4	Very high	94.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.8	-46.4	-178.6	0	0	0	0	0	112	A62 L63 M64 A69 S418 I420 T434 F506	A62-A66 WeakPolarHBondContact O-CB 3.4Å; A62-A66 PolarHBondContact O-N 3.47Å; L63-A66 PolarHBondContact O-N 3.15Å; M64-A66 VanDerWaalsContact C-N 3.35Å; A66-A69 PolarHBondContact O-N 3.43Å; A66-S418 VanDerWaalsContact CA-OG 3.3Å; A66-S418 WeakPolarHBondContact CA-OG 3.38Å; A66-S418 WeakPolarHBondContact CB-OG 3.47Å; A66-S418 PolarHBondContact O-OG 3.14Å; A66-I420 HydrophobicContact CB-CD1 3.71Å; A66-I420 HydrophobicContact CB-CG1 3.62Å; A66-T434 HydrophobicContact CB-CG2 3.84Å; A66-F506 HydrophobicContact CB-CD2 3.91Å; A66-F506 HydrophobicContact CB-CE2 3.79Å; A66-F506 HydrophobicContact CB-CZ 4.32Å
67	M	98.1	Very high	94.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64.5	-38.8	177.6	-68.9	176.8	69.3	0	0	111.9	L63 M64 A69 N70 L73 L77 L92 L96 F144 I147 F506	L63-M67 HydrophobicContact CD1-CG 4Å; L63-M67 HydrophobicContact CD1-SD 4.08Å; L63-M67 HydrophobicContact CD2-SD 4.19Å; L63-M67 HydrophobicContact CG-CG 4.17Å; L63-M67 HydrophobicContact CG-SD 3.76Å; L63-M67 WeakPolarHBondContact O-CB 3.37Å; L63-M67 VanDerWaalsContact O-CG 3.25Å; L63-M67 WeakPolarHBondContact O-CG 3.43Å; L63-M67 PolarHBondContact O-N 3.14Å; M64-M67 HydrophobicContact CE-SD 3.82Å; M67-A69 PolarHBondContact O-N 2.96Å; M67-N70 PolarHBondContact O-N 3.36Å; M67-L73 HydrophobicContact CB-CD2 3.95Å; M67-L73 HydrophobicContact CE-CD2 3.97Å; M67-L73 HydrophobicContact CE-CG 4.49Å; M67-L73 HydrophobicContact CG-CD2 3.75Å; M67-L77 HydrophobicContact CE-CD1 3.76Å; M67-L92 HydrophobicContact CE-CD2 4.47Å; M67-L96 HydrophobicContact CB-CD1 4.5Å; M67-L96 HydrophobicContact CB-CD2 3.82Å; M67-L96 HydrophobicContact CE-CD1 4.22Å; M67-F144 HydrophobicContact CE-CE2 4.44Å; M67-F144 HydrophobicContact CG-CD2 4.39Å; M67-F144 HydrophobicContact CG-CE2 4.4Å; M67-F144 HydrophobicContact SD-CD2 4.13Å; M67-F144 HydrophobicContact SD-CE2 4.44Å; M67-I147 HydrophobicContact CE-CG2 4Å; M67-I147 HydrophobicContact SD-CD1 4.19Å; M67-F506 HydrophobicContact CG-CE1 4.19Å; M67-F506 HydrophobicContact CG-CZ 4.49Å
68	A	97.5	Very high	94.3	Very high	1 Å²	1	9 Å²	9	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-63.6	-24.3	179.8	0	0	0	0	0	113.3	M64 Q65 N70 L96 L99 Q100 R436	M64-A68 VanDerWaalsContact O-CB 3.23Å; M64-A68 WeakPolarHBondContact O-CB 3.38Å; M64-A68 PolarHBondContact O-N 2.9Å; Q65-A68 PolarHBondContact O-N 2.94Å; A68-N70 VanDerWaalsContact C-N 3.28Å; A68-N70 PolarHBondContact O-N 3.42Å; A68-L96 HydrophobicContact CB-CD2 4.06Å; A68-L99 HydrophobicContact CB-CB 3.55Å; A68-L99 HydrophobicContact CB-CD1 4.3Å; A68-Q100 VanDerWaalsContact O-CG 3.28Å; A68-Q100 WeakPolarHBondContact O-CG 3.39Å; A68-Q100 PolarHBondContact O-NE2 3.24Å; A68-R436 PolarHBondContact O-NH2 2.91Å
69	A	96.5	Very high	93.9	Very high	11 Å²	11	11.9 Å²	11.9	9%	0.091	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.6	173.7	0	0	0	0	0	114.7	Q65 A66 M67 P71 R417 R436	Q65-A69 PolarHBondContact O-N 3.35Å; A66-A69 PolarHBondContact O-N 3.43Å; M67-A69 PolarHBondContact O-N 2.96Å; A69-P71 WeakPolarHBondContact O-CD 3.13Å; A69-R417 WeakPolarHBondContact O-CB 3.5Å; A69-R436 HydrophobicContact CB-CB 3.72Å; A69-R436 HydrophobicContact CB-CG 4.48Å
70	N	95.1	Very high	93.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.			trans	-115.2	93.8	-178.6	-162.8	-48.4	0	0	0	111.1	M67 A68 S72 L73 I74 Y507	M67-N70 PolarHBondContact O-N 3.36Å; A68-N70 VanDerWaalsContact C-N 3.28Å; A68-N70 PolarHBondContact O-N 3.42Å; N70-S72 PolarHBondContact O-N 2.95Å; N70-S72 PolarHBondContact OD1-N 3.22Å; N70-L73 HydrophobicContact CB-CB 3.89Å; N70-L73 WeakPolarHBondContact O-CB 3.45Å; N70-L73 PolarHBondContact O-N 3.41Å; N70-L73 PolarHBondContact OD1-N 3.03Å; N70-L73 VanDerWaalsContact OD1-N 3.1Å; N70-I74 PolarHBondContact O-N 3.1Å; N70-Y507 PolarHBondContact ND2-O 2.73Å
71	P	92	Very high	92.7	Very high	10 Å²	10	12 Å²	12	7%	0.065	6%	0.056	C	C	.	.	H	α-helix	trans	-59.6	-40.3	-179	-25	33.4	0	0	0	113.8	A69 L73 I74 R75 E508 Y554	A69-P71 WeakPolarHBondContact O-CD 3.13Å; P71-L73 VanDerWaalsContact C-N 3.31Å; P71-L73 PolarHBondContact O-N 3Å; P71-I74 PolarHBondContact O-N 2.73Å; P71-R75 PolarHBondContact O-N 3.45Å; P71-E508 WeakPolarHBondContact CD-OE2 3.49Å; P71-Y554 HydrophobicContact CB-CE1 4.26Å; P71-Y554 HydrophobicContact CG-CE1 4.21Å; P71-Y554 WeakPolarHBondContact CG-OH 2.9Å
72	S	91.4	Very high	91.9	Very high	10 Å²	10	16.9 Å²	16.9	7%	0.07	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-40.1	176.1	-70.8	0	0	0	0	112.7	N70 R75 L76 E508	N70-S72 PolarHBondContact O-N 2.95Å; N70-S72 PolarHBondContact OD1-N 3.22Å; S72-R75 PolarHBondContact OG-NH2 2.77Å; S72-L76 PolarHBondContact O-N 2.82Å; S72-E508 VanDerWaalsContact CB-OE1 3.31Å; S72-E508 WeakPolarHBondContact CB-OE1 3.38Å; S72-E508 PolarHBondContact N-OE1 2.78Å; S72-E508 WeakPolarHBondContact OG-CG 3.29Å; S72-E508 PolarHBondContact OG-OE1 3.22Å
73	L	92.4	Very high	90.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-42.7	174.1	179.6	61.7	0	0	0	111.4	M67 N70 P71 R75 L76 L77 F144 M148 Y316 F506	M67-L73 HydrophobicContact CB-CD2 3.95Å; M67-L73 HydrophobicContact CE-CD2 3.97Å; M67-L73 HydrophobicContact CE-CG 4.49Å; M67-L73 HydrophobicContact CG-CD2 3.75Å; N70-L73 HydrophobicContact CB-CB 3.89Å; N70-L73 WeakPolarHBondContact O-CB 3.45Å; N70-L73 PolarHBondContact O-N 3.41Å; N70-L73 PolarHBondContact OD1-N 3.03Å; N70-L73 VanDerWaalsContact OD1-N 3.1Å; P71-L73 VanDerWaalsContact C-N 3.31Å; P71-L73 PolarHBondContact O-N 3Å; L73-R75 PolarHBondContact O-N 3Å; L73-L76 WeakPolarHBondContact O-CB 3.4Å; L73-L76 PolarHBondContact O-N 2.85Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.31Å; L73-L77 VanDerWaalsContact O-N 3.11Å; L73-F144 HydrophobicContact CD1-CE2 4.46Å; L73-F144 HydrophobicContact CD2-CE2 3.97Å; L73-M148 HydrophobicContact CD1-CE 4.19Å; L73-M148 HydrophobicContact CD1-SD 3.75Å; L73-Y316 HydrophobicContact CB-CG 4.24Å; L73-Y316 HydrophobicContact CD1-CD1 4.34Å; L73-Y316 HydrophobicContact CD1-CD2 4.11Å; L73-Y316 HydrophobicContact CD1-CE1 4.44Å; L73-Y316 HydrophobicContact CD1-CE2 4.18Å; L73-Y316 HydrophobicContact CD1-CG 4.2Å; L73-F506 HydrophobicContact CD2-CD1 4.41Å; L73-F506 HydrophobicContact CD2-CE1 4.18Å
74	I	93.2	Very high	89.8	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-44.9	177	-71.8	165.4	0	0	0	111	N70 P71 L76 L77 E78 L93 L96 K97 Q100	N70-I74 PolarHBondContact O-N 3.1Å; P71-I74 PolarHBondContact O-N 2.73Å; I74-L76 VanDerWaalsContact C-N 3.25Å; I74-L76 PolarHBondContact O-N 3.3Å; I74-L77 WeakPolarHBondContact O-CA 3.4Å; I74-L77 WeakPolarHBondContact O-CB 3.3Å; I74-L77 PolarHBondContact O-N 3.46Å; I74-E78 HydrophobicContact CG2-CG 4.21Å; I74-E78 WeakPolarHBondContact O-CG 3.43Å; I74-E78 PolarHBondContact O-N 3.1Å; I74-L93 HydrophobicContact CG2-CD2 4.32Å; I74-L96 HydrophobicContact CD1-CB 4.34Å; I74-L96 HydrophobicContact CG1-CB 4.39Å; I74-L96 HydrophobicContact CG1-CD1 4.28Å; I74-K97 HydrophobicContact CG2-CD 4.33Å; I74-Q100 HydrophobicContact CD1-CG 4.15Å
75	R	90.1	Very high	89.1	Confident	86 Å²	86	29.5 Å²	29.5	33%	0.325	14%	0.139	S	C	.	.	H	α-helix	trans	-57.3	-38.5	177.2	-76.1	-172.3	-67.1	-91.9	0.4	112.6	P71 S72 L73 E78 R79 E508	P71-R75 PolarHBondContact O-N 3.45Å; S72-R75 PolarHBondContact OG-NH2 2.77Å; L73-R75 PolarHBondContact O-N 3Å; R75-E78 PolarHBondContact O-N 3.39Å; R75-R79 WeakPolarHBondContact O-CG 3.31Å; R75-R79 PolarHBondContact O-N 2.86Å; R75-E508 IonicContact NH2-OE1 3.64Å; R75-E508 PolarHBondContact NH2-OE1 2.74Å
76	L	88.1	Confident	88.3	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-47.8	172.7	173.1	168.8	0	0	0	111.2	S72 L73 I74 E78 R79 S80 M148 A151 E210 Y316	S72-L76 PolarHBondContact O-N 2.82Å; L73-L76 WeakPolarHBondContact O-CB 3.4Å; L73-L76 PolarHBondContact O-N 2.85Å; I74-L76 VanDerWaalsContact C-N 3.25Å; I74-L76 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact C-N 3.27Å; L76-E78 PolarHBondContact O-N 2.75Å; L76-R79 PolarHBondContact O-N 2.8Å; L76-S80 PolarHBondContact O-N 3.19Å; L76-M148 HydrophobicContact CD1-CE 3.93Å; L76-M148 HydrophobicContact CD2-CE 3.86Å; L76-A151 HydrophobicContact CD2-CB 4.35Å; L76-E210 HydrophobicContact CD1-CB 3.57Å; L76-E210 HydrophobicContact CD1-CG 4.09Å; L76-E210 WeakPolarHBondContact CD1-O 3.38Å; L76-E210 HydrophobicContact CG-CB 3.96Å; L76-E210 HydrophobicContact CG-CG 4.09Å; L76-E210 WeakPolarHBondContact CG-OE2 3.48Å; L76-Y316 HydrophobicContact CD1-CD1 3.88Å; L76-Y316 HydrophobicContact CD1-CE1 3.2Å
77	L	89.6	Confident	88	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-33.7	178.7	-59	177.8	0	0	0	111.9	M67 L73 I74 S80 V81 M89 L92 L93 L96 A151	M67-L77 HydrophobicContact CE-CD1 3.76Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.31Å; L73-L77 VanDerWaalsContact O-N 3.11Å; I74-L77 WeakPolarHBondContact O-CA 3.4Å; I74-L77 WeakPolarHBondContact O-CB 3.3Å; I74-L77 PolarHBondContact O-N 3.46Å; L77-S80 WeakPolarHBondContact O-CB 3.46Å; L77-S80 PolarHBondContact O-N 3.08Å; L77-V81 PolarHBondContact O-N 2.82Å; L77-V81 VanDerWaalsContact O-N 3.12Å; L77-M89 HydrophobicContact CB-CE 3.91Å; L77-M89 HydrophobicContact CD1-CE 4.34Å; L77-M89 HydrophobicContact CD2-CE 3.41Å; L77-M89 VanDerWaalsContact CD2-CE 3.41Å; L77-M89 HydrophobicContact CG-CE 4.04Å; L77-L92 HydrophobicContact CD1-CD2 4.03Å; L77-L93 HydrophobicContact CB-CD2 3.76Å; L77-L93 HydrophobicContact CB-CG 4.39Å; L77-L96 HydrophobicContact CD1-CD1 3.53Å; L77-A151 HydrophobicContact CD2-CB 3.65Å
78	E	88.9	Confident	87.6	Confident	34 Å²	34	33.8 Å²	33.8	16%	0.159	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-44.4	173.8	-66.6	-175.7	123.5	0	0	111.8	I74 R75 L76 S80 V81 Y82 L93 K97 Y583	I74-E78 HydrophobicContact CG2-CG 4.21Å; I74-E78 WeakPolarHBondContact O-CG 3.43Å; I74-E78 PolarHBondContact O-N 3.1Å; R75-E78 PolarHBondContact O-N 3.39Å; L76-E78 VanDerWaalsContact C-N 3.27Å; L76-E78 PolarHBondContact O-N 2.75Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 3.1Å; E78-V81 WeakPolarHBondContact O-CG2 3.25Å; E78-V81 PolarHBondContact O-N 2.87Å; E78-Y82 WeakPolarHBondContact O-CB 3.32Å; E78-Y82 PolarHBondContact O-N 3.23Å; E78-L93 HydrophobicContact CG-CD1 4.3Å; E78-L93 HydrophobicContact CG-CD2 3.69Å; E78-K97 VanDerWaalsContact CD-CE 3.49Å; E78-K97 WeakPolarHBondContact OE1-CE 3.37Å; E78-K97 IonicContact OE1-NZ 3.33Å; E78-K97 PolarHBondContact OE1-NZ 3.35Å; E78-K97 IonicContact OE2-NZ 2.83Å; E78-K97 PolarHBondContact OE2-NZ 3.39Å; E78-Y583 WeakPolarHBondContact CG-OH 3.43Å; E78-Y583 PolarHBondContact OE1-OH 3.03Å
79	R	84.2	Confident	87.3	Confident	68 Å²	68	33.7 Å²	33.7	26%	0.257	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-40.2	173.1	-70.7	172.5	-178	-173	-4.4	111.5	R75 L76 V81 Y82 H83 E210 D562	R75-R79 WeakPolarHBondContact O-CG 3.31Å; R75-R79 PolarHBondContact O-N 2.86Å; L76-R79 PolarHBondContact O-N 2.8Å; R79-V81 PolarHBondContact O-N 3.43Å; R79-Y82 WeakPolarHBondContact O-CB 3.13Å; R79-Y82 PolarHBondContact O-N 2.77Å; R79-H83 PolarHBondContact O-CD2 3.44Å; R79-H83 PolarHBondContact O-N 2.61Å; R79-E210 WeakPolarHBondContact CD-OE1 3.38Å; R79-E210 IonicContact NH1-OE1 3.69Å; R79-D562 IonicContact NH2-OD2 3.39Å; R79-D562 PolarHBondContact NH2-OD2 2.63Å; R79-D562 VanDerWaalsContact NH2-OD2 3.13Å
80	S	81.1	Confident	87.2	Confident	9 Å²	9	34.2 Å²	34.2	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-57	-49.7	176.2	176.1	0	0	0	0	111.9	L76 L77 E78 Y82 H83 R84 A151	L76-S80 PolarHBondContact O-N 3.19Å; L77-S80 WeakPolarHBondContact O-CB 3.46Å; L77-S80 PolarHBondContact O-N 3.08Å; E78-S80 VanDerWaalsContact C-N 3.3Å; E78-S80 PolarHBondContact O-N 3.1Å; S80-Y82 VanDerWaalsContact C-N 3.34Å; S80-Y82 PolarHBondContact O-N 2.86Å; S80-H83 PolarHBondContact O-N 3.17Å; S80-R84 PolarHBondContact O-N 2.96Å; S80-A151 WeakPolarHBondContact CB-O 3.25Å; S80-A151 WeakPolarHBondContact OG-CA 3.38Å; S80-A151 PolarHBondContact OG-O 3.23Å
81	V	82.5	Confident	87.3	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-73.7	-25	179	-61.4	0	0	0	0	114.1	L77 E78 R79 R84 P85 M89 Y90 L93 Y583	L77-V81 PolarHBondContact O-N 2.82Å; L77-V81 VanDerWaalsContact O-N 3.12Å; E78-V81 WeakPolarHBondContact O-CG2 3.25Å; E78-V81 PolarHBondContact O-N 2.87Å; R79-V81 PolarHBondContact O-N 3.43Å; V81-R84 CarbonylContact O-C 3.59Å; V81-P85 WeakPolarHBondContact O-CA 3.35Å; V81-M89 HydrophobicContact CG1-CB 3.2Å; V81-M89 HydrophobicContact CG1-CG 4.16Å; V81-Y90 HydrophobicContact CB-CD1 4.05Å; V81-Y90 HydrophobicContact CB-CE1 3.59Å; V81-Y90 HydrophobicContact CG1-CD1 4.12Å; V81-Y90 HydrophobicContact CG1-CE1 4.15Å; V81-Y90 HydrophobicContact CG2-CD1 4.2Å; V81-Y90 HydrophobicContact CG2-CE1 3.78Å; V81-L93 HydrophobicContact CB-CD1 4.15Å; V81-L93 HydrophobicContact CG1-CD1 3.68Å; V81-L93 HydrophobicContact CG2-CD1 3.35Å; V81-Y583 HydrophobicContact CG2-CE1 4.32Å
82	Y	79.5	Confident	87.5	Confident	105 Å²	105	35.8 Å²	35.8	41%	0.412	16%	0.162	S	C	.	.	H	α-helix	trans	-65.1	-44.7	172.7	176.4	-99	0	0	0	110.7	E78 R79 S80 Q568 V570	E78-Y82 WeakPolarHBondContact O-CB 3.32Å; E78-Y82 PolarHBondContact O-N 3.23Å; R79-Y82 WeakPolarHBondContact O-CB 3.13Å; R79-Y82 PolarHBondContact O-N 2.77Å; S80-Y82 VanDerWaalsContact C-N 3.34Å; S80-Y82 PolarHBondContact O-N 2.86Å; Y82-Q568 WeakPolarHBondContact CE2-O 3.44Å; Y82-V570 HydrophobicContact CD2-CG2 4.09Å; Y82-V570 HydrophobicContact CE2-CG2 4.12Å
83	H	75.7	Confident	87.7	Confident	146 Å²	146	35.3 Å²	35.3	68%	0.676	16%	0.159	S	C	*	.	H	α-helix	trans	-76.3	-36.9	177	-68.8	-53.1	0	0	0	113	R79 S80	R79-H83 PolarHBondContact O-CD2 3.44Å; R79-H83 PolarHBondContact O-N 2.61Å; S80-H83 PolarHBondContact O-N 3.17Å
84	R	76.3	Confident	87.9	Confident	36 Å²	36	35.3 Å²	35.3	14%	0.136	16%	0.159	C	C	.	.	S	Bend	trans	-137.5	90.4	-177.3	-167.4	179.4	64.9	70	5.6	110.3	S80 V81 D86 R150 S153	S80-R84 PolarHBondContact O-N 2.96Å; V81-R84 CarbonylContact O-C 3.59Å; R84-D86 PolarHBondContact O-N 3.28Å; R84-R150 PolarHBondContact NH2-O 2.76Å; R84-S153 PolarHBondContact NE-O 3.3Å
85	P	83.4	Confident	88.2	Confident	85 Å²	85	35.2 Å²	35.2	55%	0.552	16%	0.158	S	C	*	.			trans	-49	123.3	172.6	-31.9	38.4	0	0	0	111.3	V81 Y90	V81-P85 WeakPolarHBondContact O-CA 3.35Å; P85-Y90 WeakPolarHBondContact CA-OH 3.44Å; P85-Y90 HydrophobicContact CB-CE2 3.98Å; P85-Y90 VanDerWaalsContact CB-OH 3.24Å; P85-Y90 WeakPolarHBondContact CB-OH 3.49Å
86	D	81	Confident	88.5	Confident	17 Å²	17	31.1 Å²	31.1	9%	0.091	14%	0.142	C	C	.	.			trans	-144.7	125.7	-177.1	177.3	42.3	0	0	0	110.8	R84 F88 M89 Y90 R150	R84-D86 PolarHBondContact O-N 3.28Å; D86-F88 VanDerWaalsContact C-N 3.32Å; D86-F88 PolarHBondContact O-N 2.73Å; D86-F88 WeakPolarHBondContact OD2-CB 3.32Å; D86-M89 HydrophobicContact CB-CB 4.05Å; D86-M89 HydrophobicContact CB-CG 4.06Å; D86-M89 PolarHBondContact O-N 2.89Å; D86-M89 VanDerWaalsContact O-N 3.17Å; D86-M89 VanDerWaalsContact OD2-CG 3.25Å; D86-M89 WeakPolarHBondContact OD2-CG 3.3Å; D86-M89 PolarHBondContact OD2-N 2.98Å; D86-Y90 WeakPolarHBondContact O-CD2 3.44Å; D86-Y90 PolarHBondContact O-N 2.88Å; D86-R150 VanDerWaalsContact CG-NH2 3.34Å; D86-R150 IonicContact OD1-CZ 2.69Å; D86-R150 IonicContact OD1-NE 2.74Å; D86-R150 IonicContact OD1-NH2 3.64Å; D86-R150 PolarHBondContact OD1-NH2 3.36Å; D86-R150 IonicContact OD2-CZ 3.23Å; D86-R150 IonicContact OD2-NE 2.85Å; D86-R150 PolarHBondContact OD2-NE 3.11Å; D86-R150 IonicContact OD2-NH2 3.64Å; D86-R150 PolarHBondContact OD2-NH2 2.92Å
87	K	91.1	Very high	88.9	Confident	75 Å²	75	32.5 Å²	32.5	33%	0.326	15%	0.148	S	C	.	.	H	α-helix	trans	-60.8	-41	-175.7	-179.7	167.5	175.8	166.7	0	112.3	R91 T587	K87-R91 VanDerWaalsContact CE-CZ 3.5Å; K87-R91 VanDerWaalsContact O-CG 3.3Å; K87-R91 WeakPolarHBondContact O-CG 3.44Å; K87-R91 PolarHBondContact O-N 2.72Å; K87-R91 VanDerWaalsContact O-N 3.13Å; K87-T587 WeakPolarHBondContact CE-O 3.47Å; K87-T587 PolarHBondContact NZ-O 3.2Å
88	F	90.7	Very high	89.2	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-49.8	175.6	178.1	-94	0	0	0	110.9	D86 Y90 R91 L92 L122 E125 I126 F146 I147	D86-F88 VanDerWaalsContact C-N 3.32Å; D86-F88 PolarHBondContact O-N 2.73Å; D86-F88 WeakPolarHBondContact OD2-CB 3.32Å; F88-Y90 PolarHBondContact O-N 2.87Å; F88-R91 WeakPolarHBondContact O-CB 3.25Å; F88-R91 PolarHBondContact O-N 3.49Å; F88-L92 HydrophobicContact CE1-CD2 4.46Å; F88-L92 PolarHBondContact O-N 3.3Å; F88-L122 HydrophobicContact CD2-CD2 3.66Å; F88-L122 HydrophobicContact CE2-CD2 3.48Å; F88-L122 VanDerWaalsContact CE2-CD2 3.48Å; F88-L122 HydrophobicContact CG-CD2 4.26Å; F88-L122 HydrophobicContact CZ-CD2 3.95Å; F88-E125 WeakPolarHBondContact CB-OE1 3.25Å; F88-E125 HydrophobicContact CD2-CB 4.35Å; F88-E125 HydrophobicContact CD2-CG 3.97Å; F88-I126 HydrophobicContact CE2-CD1 4.23Å; F88-I126 HydrophobicContact CE2-CG1 3.82Å; F88-I126 HydrophobicContact CZ-CD1 4.3Å; F88-I126 HydrophobicContact CZ-CG1 4.15Å; F88-F146 HydrophobicContact CE1-CE1 4.31Å; F88-F146 HydrophobicContact CE2-CE1 4.37Å; F88-F146 AromaticContact CZ-CE1 3.91Å; F88-F146 HydrophobicContact CZ-CE1 3.91Å; F88-I147 HydrophobicContact CE1-CG1 4.23Å; F88-I147 HydrophobicContact CZ-CG1 4.32Å
89	M	90.3	Very high	89.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-35.2	-180	-67.8	-52.2	-63.7	0	0	113.2	L77 V81 D86 L92 L93 A151	L77-M89 HydrophobicContact CB-CE 3.91Å; L77-M89 HydrophobicContact CD1-CE 4.34Å; L77-M89 HydrophobicContact CD2-CE 3.41Å; L77-M89 VanDerWaalsContact CD2-CE 3.41Å; L77-M89 HydrophobicContact CG-CE 4.04Å; V81-M89 HydrophobicContact CG1-CB 3.2Å; V81-M89 HydrophobicContact CG1-CG 4.16Å; D86-M89 HydrophobicContact CB-CB 4.05Å; D86-M89 HydrophobicContact CB-CG 4.06Å; D86-M89 PolarHBondContact O-N 2.89Å; D86-M89 VanDerWaalsContact O-N 3.17Å; D86-M89 VanDerWaalsContact OD2-CG 3.25Å; D86-M89 WeakPolarHBondContact OD2-CG 3.3Å; D86-M89 PolarHBondContact OD2-N 2.98Å; M89-L92 HydrophobicContact CE-CD2 3.82Å; M89-L92 WeakPolarHBondContact O-CB 3.45Å; M89-L92 PolarHBondContact O-N 3.19Å; M89-L92 HydrophobicContact SD-CD2 4Å; M89-L93 WeakPolarHBondContact O-CB 3.48Å; M89-L93 WeakPolarHBondContact O-CG 3.39Å; M89-L93 PolarHBondContact O-N 2.78Å; M89-A151 HydrophobicContact CE-CB 3.98Å; M89-A151 HydrophobicContact SD-CB 4.42Å
90	Y	94.8	Very high	90.1	Very high	22 Å²	22	28.7 Å²	28.7	9%	0.086	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-40.2	173.1	-70.3	-45.2	0	0	0	112.4	V81 P85 D86 F88 L92 L93 C94 Y583	V81-Y90 HydrophobicContact CB-CD1 4.05Å; V81-Y90 HydrophobicContact CB-CE1 3.59Å; V81-Y90 HydrophobicContact CG1-CD1 4.12Å; V81-Y90 HydrophobicContact CG1-CE1 4.15Å; V81-Y90 HydrophobicContact CG2-CD1 4.2Å; V81-Y90 HydrophobicContact CG2-CE1 3.78Å; P85-Y90 WeakPolarHBondContact CA-OH 3.44Å; P85-Y90 HydrophobicContact CB-CE2 3.98Å; P85-Y90 VanDerWaalsContact CB-OH 3.24Å; P85-Y90 WeakPolarHBondContact CB-OH 3.49Å; D86-Y90 WeakPolarHBondContact O-CD2 3.44Å; D86-Y90 PolarHBondContact O-N 2.88Å; F88-Y90 PolarHBondContact O-N 2.87Å; Y90-L92 VanDerWaalsContact C-N 3.32Å; Y90-L93 PolarHBondContact O-N 2.78Å; Y90-C94 WeakPolarHBondContact O-CB 3.33Å; Y90-C94 PolarHBondContact O-N 2.98Å; Y90-Y583 AromaticContact CD1-CD1 3.71Å; Y90-Y583 HydrophobicContact CD1-CD1 3.71Å; Y90-Y583 HydrophobicContact CD1-CE1 4.13Å; Y90-Y583 HydrophobicContact CE1-CD1 4.34Å; Y90-Y583 HydrophobicContact CE1-CE1 4.43Å
91	R	96.4	Very high	90.6	Very high	42 Å²	42	28.5 Å²	28.5	16%	0.158	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-43.5	172.9	-66.8	167.4	170.6	173.7	-12.3	111	K87 F88 C94 L95 N118 L122 E125 T587	K87-R91 VanDerWaalsContact CE-CZ 3.5Å; K87-R91 VanDerWaalsContact O-CG 3.3Å; K87-R91 WeakPolarHBondContact O-CG 3.44Å; K87-R91 PolarHBondContact O-N 2.72Å; K87-R91 VanDerWaalsContact O-N 3.13Å; F88-R91 WeakPolarHBondContact O-CB 3.25Å; F88-R91 PolarHBondContact O-N 3.49Å; R91-C94 WeakPolarHBondContact O-CB 3.5Å; R91-C94 PolarHBondContact O-N 2.98Å; R91-L95 PolarHBondContact O-N 3.2Å; R91-N118 WeakPolarHBondContact CA-OD1 3.4Å; R91-N118 HydrophobicContact CB-CB 4.42Å; R91-N118 WeakPolarHBondContact CG-OD1 3.46Å; R91-L122 HydrophobicContact CB-CD1 4.15Å; R91-L122 HydrophobicContact CB-CD2 3.7Å; R91-L122 HydrophobicContact CB-CG 3.72Å; R91-E125 IonicContact CZ-OE2 3.06Å; R91-E125 IonicContact NH1-OE2 2.77Å; R91-E125 PolarHBondContact NH1-OE2 3.08Å; R91-T587 HydrophobicContact CB-CG2 4.25Å; R91-T587 HydrophobicContact CG-CG2 3.41Å; R91-T587 VanDerWaalsContact CG-CG2 3.41Å
92	L	96.2	Very high	91.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-50.1	178.2	178.7	61.3	0	0	0	110.9	M64 M67 L77 F88 M89 Y90 C94 L95 L96 L122 I147	M64-L92 HydrophobicContact CE-CD1 3.92Å; M64-L92 HydrophobicContact SD-CD1 3.34Å; M64-L92 WeakPolarHBondContact SD-CD1 3.5Å; M67-L92 HydrophobicContact CE-CD2 4.47Å; L77-L92 HydrophobicContact CD1-CD2 4.03Å; F88-L92 HydrophobicContact CE1-CD2 4.46Å; F88-L92 PolarHBondContact O-N 3.3Å; M89-L92 HydrophobicContact CE-CD2 3.82Å; M89-L92 WeakPolarHBondContact O-CB 3.45Å; M89-L92 PolarHBondContact O-N 3.19Å; M89-L92 HydrophobicContact SD-CD2 4Å; Y90-L92 VanDerWaalsContact C-N 3.32Å; L92-C94 PolarHBondContact O-N 3.17Å; L92-L95 PolarHBondContact O-N 3.29Å; L92-L95 VanDerWaalsContact O-N 3.15Å; L92-L96 HydrophobicContact CD1-CD1 3.92Å; L92-L96 HydrophobicContact CD1-CD2 4.38Å; L92-L96 HydrophobicContact CD1-CG 3.95Å; L92-L96 HydrophobicContact CG-CD1 3.85Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.31Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 2.78Å; L92-L122 HydrophobicContact CB-CD2 4.25Å; L92-I147 HydrophobicContact CD2-CD1 4.47Å; L92-I147 HydrophobicContact CD2-CG2 3.58Å
93	L	96.6	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-41.1	177.8	-75.5	169.6	0	0	0	112.5	I74 L77 E78 V81 M89 Y90 L95 L96 K97 Y583	I74-L93 HydrophobicContact CG2-CD2 4.32Å; L77-L93 HydrophobicContact CB-CD2 3.76Å; L77-L93 HydrophobicContact CB-CG 4.39Å; E78-L93 HydrophobicContact CG-CD1 4.3Å; E78-L93 HydrophobicContact CG-CD2 3.69Å; V81-L93 HydrophobicContact CB-CD1 4.15Å; V81-L93 HydrophobicContact CG1-CD1 3.68Å; V81-L93 HydrophobicContact CG2-CD1 3.35Å; M89-L93 WeakPolarHBondContact O-CB 3.48Å; M89-L93 WeakPolarHBondContact O-CG 3.39Å; M89-L93 PolarHBondContact O-N 2.78Å; Y90-L93 PolarHBondContact O-N 2.78Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 3.13Å; L93-L96 PolarHBondContact O-N 2.77Å; L93-K97 WeakPolarHBondContact O-CB 3.34Å; L93-K97 VanDerWaalsContact O-CG 3.27Å; L93-K97 WeakPolarHBondContact O-CG 3.45Å; L93-K97 PolarHBondContact O-N 2.78Å; L93-Y583 HydrophobicContact CB-CD1 4.11Å; L93-Y583 HydrophobicContact CB-CD2 3.96Å; L93-Y583 HydrophobicContact CB-CE1 4.1Å; L93-Y583 HydrophobicContact CB-CE2 3.95Å; L93-Y583 HydrophobicContact CB-CG 4.05Å; L93-Y583 HydrophobicContact CD1-CD1 4.32Å; L93-Y583 HydrophobicContact CD1-CE1 3.69Å
94	C	97.2	Very high	92.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.8	-46.8	172.4	178.3	0	0	0	0	111.1	Y90 R91 L92 G98 L115 N118	Y90-C94 WeakPolarHBondContact O-CB 3.33Å; Y90-C94 PolarHBondContact O-N 2.98Å; R91-C94 WeakPolarHBondContact O-CB 3.5Å; R91-C94 PolarHBondContact O-N 2.98Å; L92-C94 PolarHBondContact O-N 3.17Å; C94-G98 PolarHBondContact O-N 2.83Å; C94-G98 VanDerWaalsContact O-N 3.15Å; C94-L115 WeakPolarHBondContact O-CD2 3.33Å; C94-N118 PolarHBondContact SG-ND2 2.83Å
95	L	97.9	Very high	92.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.4	-49.6	179.7	-176.9	60.6	0	0	0	111.7	L51 F60 M64 R91 L92 L93 K97 G98 L99 H119 L122	L51-L95 HydrophobicContact CD2-CD1 4.03Å; F60-L95 HydrophobicContact CE1-CD2 4.15Å; F60-L95 HydrophobicContact CZ-CD2 3.99Å; M64-L95 HydrophobicContact CB-CD2 4.39Å; M64-L95 HydrophobicContact CG-CD2 3.83Å; M64-L95 HydrophobicContact SD-CD2 4.04Å; R91-L95 PolarHBondContact O-N 3.2Å; L92-L95 PolarHBondContact O-N 3.29Å; L92-L95 VanDerWaalsContact O-N 3.15Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 3.13Å; L95-K97 PolarHBondContact O-N 2.66Å; L95-G98 WeakPolarHBondContact O-CA 3.41Å; L95-G98 PolarHBondContact O-N 2.82Å; L95-G98 VanDerWaalsContact O-N 3.14Å; L95-L99 HydrophobicContact CD1-CD1 4.34Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4.07Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.03Å; L95-H119 HydrophobicContact CD1-CB 4.23Å; L95-H119 HydrophobicContact CD2-CB 4.37Å; L95-L122 HydrophobicContact CB-CD1 4.2Å; L95-L122 HydrophobicContact CD2-CD1 3.77Å
96	L	97.8	Very high	93.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.7	-43.5	-177.8	-67.5	178.2	0	0	0	112.1	M64 M67 A68 I74 L77 L92 L93 G98 L99 Q100	M64-L96 WeakPolarHBondContact O-CD2 3.49Å; M64-L96 HydrophobicContact SD-CD2 4.27Å; M67-L96 HydrophobicContact CB-CD1 4.5Å; M67-L96 HydrophobicContact CB-CD2 3.82Å; M67-L96 HydrophobicContact CE-CD1 4.22Å; A68-L96 HydrophobicContact CB-CD2 4.06Å; I74-L96 HydrophobicContact CD1-CB 4.34Å; I74-L96 HydrophobicContact CG1-CB 4.39Å; I74-L96 HydrophobicContact CG1-CD1 4.28Å; L77-L96 HydrophobicContact CD1-CD1 3.53Å; L92-L96 HydrophobicContact CD1-CD1 3.92Å; L92-L96 HydrophobicContact CD1-CD2 4.38Å; L92-L96 HydrophobicContact CD1-CG 3.95Å; L92-L96 HydrophobicContact CG-CD1 3.85Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CB 3.31Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 2.78Å; L93-L96 PolarHBondContact O-N 2.77Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 2.81Å; L96-L99 CarbonylContact O-C 3.51Å; L96-L99 PolarHBondContact O-N 3.02Å; L96-Q100 WeakPolarHBondContact O-CG 3.47Å; L96-Q100 PolarHBondContact O-N 3.46Å
97	K	96	Very high	93.7	Very high	37 Å²	37	15.7 Å²	15.7	16%	0.161	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-37.3	174.7	-67.8	-69	-174.9	176	0	111.8	I74 E78 L93 L95 L99 Q100 C101 I579 I580 Y583	I74-K97 HydrophobicContact CG2-CD 4.33Å; E78-K97 VanDerWaalsContact CD-CE 3.49Å; E78-K97 WeakPolarHBondContact OE1-CE 3.37Å; E78-K97 IonicContact OE1-NZ 3.33Å; E78-K97 PolarHBondContact OE1-NZ 3.35Å; E78-K97 IonicContact OE2-NZ 2.83Å; E78-K97 PolarHBondContact OE2-NZ 3.39Å; L93-K97 WeakPolarHBondContact O-CB 3.34Å; L93-K97 VanDerWaalsContact O-CG 3.27Å; L93-K97 WeakPolarHBondContact O-CG 3.45Å; L93-K97 PolarHBondContact O-N 2.78Å; L95-K97 PolarHBondContact O-N 2.66Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-Q100 WeakPolarHBondContact O-CB 3.35Å; K97-Q100 PolarHBondContact O-N 3.5Å; K97-C101 PolarHBondContact O-SG 3.1Å; K97-C101 VanDerWaalsContact O-SG 3.34Å; K97-I579 HydrophobicContact CG-CG2 4.42Å; K97-I580 HydrophobicContact CB-CD1 4.38Å; K97-I580 HydrophobicContact CB-CG1 3.73Å; K97-Y583 HydrophobicContact CG-CD2 4.44Å; K97-Y583 HydrophobicContact CG-CE2 4.17Å
98	G	95.8	Very high	93.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-41.3	171.7	0	0	0	0	0	113	C94 L95 L96 Q100 C101	C94-G98 PolarHBondContact O-N 2.83Å; C94-G98 VanDerWaalsContact O-N 3.15Å; L95-G98 WeakPolarHBondContact O-CA 3.41Å; L95-G98 PolarHBondContact O-N 2.82Å; L95-G98 VanDerWaalsContact O-N 3.14Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 2.81Å; G98-Q100 PolarHBondContact O-N 3.42Å; G98-C101 WeakPolarHBondContact O-CB 3.48Å; G98-C101 PolarHBondContact O-N 3.13Å
99	L	96.2	Very high	93.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.8	176.7	-68.1	173.9	0	0	0	114.3	V49 L51 M64 A68 L95 L96 K97 R436	V49-L99 HydrophobicContact CG1-CD2 3.95Å; L51-L99 HydrophobicContact CD1-CD1 4.1Å; L51-L99 HydrophobicContact CD1-CD2 4.43Å; L51-L99 HydrophobicContact CD2-CD2 4.02Å; L51-L99 HydrophobicContact CG-CD2 4.16Å; M64-L99 HydrophobicContact CB-CD1 3.77Å; A68-L99 HydrophobicContact CB-CB 3.55Å; A68-L99 HydrophobicContact CB-CD1 4.3Å; L95-L99 HydrophobicContact CD1-CD1 4.34Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4.07Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.03Å; L96-L99 CarbonylContact O-C 3.51Å; L96-L99 PolarHBondContact O-N 3.02Å; K97-L99 VanDerWaalsContact C-N 3.34Å; L99-R436 PolarHBondContact O-NH1 3.5Å; L99-R436 PolarHBondContact O-NH2 2.76Å; L99-R436 VanDerWaalsContact O-NH2 3.16Å
100	Q	95.1	Very high	93.9	Very high	22 Å²	22	30.2 Å²	30.2	10%	0.103	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.7	166.5	-68.4	-174.9	-46.4	0	0	112.5	A68 I74 L96 K97 G98	A68-Q100 VanDerWaalsContact O-CG 3.28Å; A68-Q100 WeakPolarHBondContact O-CG 3.39Å; A68-Q100 PolarHBondContact O-NE2 3.24Å; I74-Q100 HydrophobicContact CD1-CG 4.15Å; L96-Q100 WeakPolarHBondContact O-CG 3.47Å; L96-Q100 PolarHBondContact O-N 3.46Å; K97-Q100 WeakPolarHBondContact O-CB 3.35Å; K97-Q100 PolarHBondContact O-N 3.5Å; G98-Q100 PolarHBondContact O-N 3.42Å
101	C	93.3	Very high	93.9	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.027	13%	0.13	C	C	.	.	S	Bend	trans	-102.9	149.1	177.4	-59.3	0	0	0	0	110.7	P48 K97 G98 Y105 I106	P48-C101 WeakPolarHBondContact CA-O 3.39Å; K97-C101 PolarHBondContact O-SG 3.1Å; K97-C101 VanDerWaalsContact O-SG 3.34Å; G98-C101 WeakPolarHBondContact O-CB 3.48Å; G98-C101 PolarHBondContact O-N 3.13Å; C101-Y105 HydrophobicContact CB-CD1 3.72Å; C101-Y105 HydrophobicContact CB-CE1 4.48Å; C101-Y105 HydrophobicContact CB-CG 4.35Å; C101-I106 HydrophobicContact CB-CD1 3.63Å; C101-I106 HydrophobicContact CB-CG1 3.98Å
102	S	91.3	Very high	93.8	Very high	8 Å²	8	27.5 Å²	27.5	6%	0.056	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-67.3	151.8	171.4	65.4	0	0	0	0	110.6	L47 Q104 Y105 I106	L47-S102 CarbonylContact O-C 3.57Å; L47-S102 WeakPolarHBondContact O-CA 3.35Å; S102-Q104 PolarHBondContact O-N 3.18Å; S102-Y105 WeakPolarHBondContact O-CB 3.43Å; S102-Y105 PolarHBondContact O-N 3.11Å; S102-Y105 WeakPolarHBondContact OG-CB 3.3Å; S102-Y105 PolarHBondContact OG-N 3.04Å; S102-Y105 VanDerWaalsContact OG-N 3.13Å; S102-I106 WeakPolarHBondContact O-CG1 3.38Å; S102-I106 PolarHBondContact O-N 2.95Å
103	S	90.3	Very high	93.6	Very high	8 Å²	8	34.4 Å²	34.4	6%	0.056	16%	0.161	C	C	.	.	H	α-helix	trans	-56.2	-36.3	173.9	57.1	0	0	0	0	111.9	N43 S45 L47 I106 A107	N43-S103 PolarHBondContact O-OG 3.17Å; S45-S103 PolarHBondContact N-OG 3.36Å; S45-S103 PolarHBondContact O-OG 2.84Å; S45-S103 PolarHBondContact OG-OG 3.36Å; L47-S103 PolarHBondContact O-N 2.87Å; L47-S103 PolarHBondContact O-OG 3.34Å; S103-I106 PolarHBondContact O-N 3.4Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.85Å
104	Q	88.3	Confident	93.5	Very high	34 Å²	34	36.5 Å²	36.5	16%	0.159	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-50.7	170.8	177.6	172.7	-2	0	0	112	F44 S45 S102 I106 A107 E108	F44-Q104 HydrophobicContact CD1-CG 4.35Å; S45-Q104 PolarHBondContact O-N 3.05Å; S102-Q104 PolarHBondContact O-N 3.18Å; Q104-I106 VanDerWaalsContact C-N 3.31Å; Q104-I106 PolarHBondContact O-N 3.48Å; Q104-A107 PolarHBondContact O-N 3.38Å; Q104-A107 VanDerWaalsContact O-N 3.16Å; Q104-E108 HydrophobicContact CG-CG 4.36Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.36Å; Q104-E108 PolarHBondContact NE2-OE1 3.31Å; Q104-E108 WeakPolarHBondContact O-CG 3.45Å; Q104-E108 PolarHBondContact O-N 3.49Å
105	Y	90.9	Very high	93.4	Very high	53 Å²	53	36.5 Å²	36.5	21%	0.208	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-40.8	179	-176.4	-88.9	0	0	0	112	C101 S102 A107 N109 L111 K576 A577	C101-Y105 HydrophobicContact CB-CD1 3.72Å; C101-Y105 HydrophobicContact CB-CE1 4.48Å; C101-Y105 HydrophobicContact CB-CG 4.35Å; S102-Y105 WeakPolarHBondContact O-CB 3.43Å; S102-Y105 PolarHBondContact O-N 3.11Å; S102-Y105 WeakPolarHBondContact OG-CB 3.3Å; S102-Y105 PolarHBondContact OG-N 3.04Å; S102-Y105 VanDerWaalsContact OG-N 3.13Å; Y105-A107 VanDerWaalsContact C-N 3.34Å; Y105-A107 PolarHBondContact O-N 2.91Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.31Å; Y105-N109 WeakPolarHBondContact O-CB 3.43Å; Y105-N109 PolarHBondContact O-N 3.25Å; Y105-N109 PolarHBondContact O-ND2 2.72Å; Y105-L111 HydrophobicContact CD1-CD1 4.46Å; Y105-L111 HydrophobicContact CE1-CD1 4.18Å; Y105-K576 HydrophobicContact CE1-CB 4.08Å; Y105-A577 HydrophobicContact CE1-CB 4.11Å; Y105-A577 WeakPolarHBondContact OH-CB 3.48Å; Y105-A577 PolarHBondContact OH-N 2.83Å
106	I	92.2	Very high	93.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-41.7	176	-66.6	-53.9	0	0	0	111.3	C101 S102 S103 Q104 R110 L111 L115	C101-I106 HydrophobicContact CB-CD1 3.63Å; C101-I106 HydrophobicContact CB-CG1 3.98Å; S102-I106 WeakPolarHBondContact O-CG1 3.38Å; S102-I106 PolarHBondContact O-N 2.95Å; S103-I106 PolarHBondContact O-N 3.4Å; Q104-I106 VanDerWaalsContact C-N 3.31Å; Q104-I106 PolarHBondContact O-N 3.48Å; I106-R110 PolarHBondContact O-N 3.41Å; I106-R110 VanDerWaalsContact O-N 3.13Å; I106-L111 HydrophobicContact CD1-CB 3.97Å; I106-L111 HydrophobicContact CD1-CD1 3.85Å; I106-L111 HydrophobicContact CG2-CB 4.13Å; I106-L111 PolarHBondContact O-N 3.01Å; I106-L115 HydrophobicContact CD1-CD1 3.71Å; I106-L115 HydrophobicContact CG1-CD1 4.11Å; I106-L115 HydrophobicContact CG2-CD1 4.12Å
107	A	89.2	Confident	93.1	Very high	22 Å²	22	46.5 Å²	46.5	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-48.8	178.4	0	0	0	0	0	112	F44 S103 Q104 Y105 N109 R110	F44-A107 HydrophobicContact CD1-CB 4.48Å; F44-A107 HydrophobicContact CE1-CB 3.89Å; F44-A107 HydrophobicContact CZ-CB 4.28Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.85Å; Q104-A107 PolarHBondContact O-N 3.38Å; Q104-A107 VanDerWaalsContact O-N 3.16Å; Y105-A107 VanDerWaalsContact C-N 3.34Å; Y105-A107 PolarHBondContact O-N 2.91Å; A107-N109 VanDerWaalsContact C-N 3.28Å; A107-N109 PolarHBondContact O-N 3.16Å; A107-R110 PolarHBondContact O-N 3.4Å; A107-R110 VanDerWaalsContact O-N 3.09Å
108	E	90.8	Very high	93.1	Very high	114 Å²	114	45 Å²	45	53%	0.533	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-39.7	179.1	-72.9	170.8	-179.8	0	0	112	Q104	Q104-E108 HydrophobicContact CG-CG 4.36Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.36Å; Q104-E108 PolarHBondContact NE2-OE1 3.31Å; Q104-E108 WeakPolarHBondContact O-CG 3.45Å; Q104-E108 PolarHBondContact O-N 3.49Å
109	N	92.6	Very high	93.1	Very high	42 Å²	42	45 Å²	45	23%	0.225	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.8	179.7	-70.8	-82.8	0	0	0	114.2	Y105 A107 L111 A577 R581	Y105-N109 WeakPolarHBondContact CE2-ND2 3.31Å; Y105-N109 WeakPolarHBondContact O-CB 3.43Å; Y105-N109 PolarHBondContact O-N 3.25Å; Y105-N109 PolarHBondContact O-ND2 2.72Å; A107-N109 VanDerWaalsContact C-N 3.28Å; A107-N109 PolarHBondContact O-N 3.16Å; N109-L111 VanDerWaalsContact C-N 3.28Å; N109-L111 HydrophobicContact CB-CD1 3.83Å; N109-L111 HydrophobicContact CB-CG 3.78Å; N109-L111 PolarHBondContact O-N 3.31Å; N109-A577 HydrophobicContact CB-CB 3.9Å; N109-R581 PolarHBondContact O-NH2 2.92Å
110	R	93.2	Very high	93	Very high	226 Å²	226	49.2 Å²	49.2	85%	0.853	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	39	179.7	-56	-179.2	-179.3	178.8	0	113.8	I106 A107	I106-R110 PolarHBondContact O-N 3.41Å; I106-R110 VanDerWaalsContact O-N 3.13Å; A107-R110 PolarHBondContact O-N 3.4Å; A107-R110 VanDerWaalsContact O-N 3.09Å
111	L	94.9	Very high	92.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.231	C	C	.	.			trans	-88.7	-11.4	-176.1	-60	173.5	0	0	0	113.2	Y105 I106 N109 I113 L114 L115 A577 I580 R581	Y105-L111 HydrophobicContact CD1-CD1 4.46Å; Y105-L111 HydrophobicContact CE1-CD1 4.18Å; I106-L111 HydrophobicContact CD1-CB 3.97Å; I106-L111 HydrophobicContact CD1-CD1 3.85Å; I106-L111 HydrophobicContact CG2-CB 4.13Å; I106-L111 PolarHBondContact O-N 3.01Å; N109-L111 VanDerWaalsContact C-N 3.28Å; N109-L111 HydrophobicContact CB-CD1 3.83Å; N109-L111 HydrophobicContact CB-CG 3.78Å; N109-L111 PolarHBondContact O-N 3.31Å; L111-I113 PolarHBondContact O-N 3.02Å; L111-L114 HydrophobicContact CD2-CD2 4.47Å; L111-L114 VanDerWaalsContact O-CB 3.26Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 3.16Å; L111-L115 PolarHBondContact O-N 2.92Å; L111-A577 HydrophobicContact CD1-CB 3.92Å; L111-A577 HydrophobicContact CD2-CB 4.41Å; L111-I580 HydrophobicContact CD1-CD1 3.83Å; L111-I580 HydrophobicContact CD1-CG2 4.48Å; L111-I580 HydrophobicContact CD2-CG2 4.29Å; L111-R581 HydrophobicContact CD2-CG 3.98Å
112	G	93	Very high	92.9	Very high	6 Å²	6	48.9 Å²	48.9	6%	0.062	23%	0.23	C	C	.	.	H	α-helix	trans	-56.9	-43.5	-173.8	0	0	0	0	0	114.7	L114 L115 K116	G112-L114 VanDerWaalsContact C-N 3.28Å; G112-L114 PolarHBondContact O-N 3Å; G112-L115 PolarHBondContact O-N 3Å; G112-K116 WeakPolarHBondContact O-CB 3.34Å; G112-K116 PolarHBondContact O-N 3.25Å
113	I	93.2	Very high	92.8	Very high	146 Å²	146	49 Å²	49	75%	0.749	23%	0.229	S	C	*	.	H	α-helix	trans	-62.8	-38.6	177.8	-63.6	170.5	0	0	0	110.9	L111 K117	L111-I113 PolarHBondContact O-N 3.02Å; I113-K117 WeakPolarHBondContact O-CB 3.33Å; I113-K117 PolarHBondContact O-N 2.8Å
114	L	94.3	Very high	92.8	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-46.2	-179.5	-163.9	63.7	0	0	0	111.2	L111 G112 K117 N118 I580 R581 A584	L111-L114 HydrophobicContact CD2-CD2 4.47Å; L111-L114 VanDerWaalsContact O-CB 3.26Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 3.16Å; G112-L114 VanDerWaalsContact C-N 3.28Å; G112-L114 PolarHBondContact O-N 3Å; L114-K117 PolarHBondContact O-N 3.37Å; L114-N118 PolarHBondContact O-N 3.06Å; L114-N118 VanDerWaalsContact O-N 3.07Å; L114-N118 PolarHBondContact O-ND2 3.33Å; L114-I580 HydrophobicContact CD2-CG2 3.88Å; L114-R581 HydrophobicContact CD2-CG 4.29Å; L114-A584 HydrophobicContact CD1-CB 3.19Å; L114-A584 HydrophobicContact CD2-CB 3.51Å; L114-A584 HydrophobicContact CG-CB 3.43Å; L114-A584 VanDerWaalsContact CG-CB 3.43Å
115	L	96	Very high	92.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-44	177.6	-62.2	-175.9	0	0	0	111.3	Y40 V49 C94 I106 L111 G112 K117 N118 H119 I580	Y40-L115 HydrophobicContact CD1-CB 4.27Å; Y40-L115 HydrophobicContact CE1-CB 4.02Å; V49-L115 HydrophobicContact CG1-CD1 4.31Å; C94-L115 WeakPolarHBondContact O-CD2 3.33Å; I106-L115 HydrophobicContact CD1-CD1 3.71Å; I106-L115 HydrophobicContact CG1-CD1 4.11Å; I106-L115 HydrophobicContact CG2-CD1 4.12Å; L111-L115 PolarHBondContact O-N 2.92Å; G112-L115 PolarHBondContact O-N 3Å; L115-K117 PolarHBondContact O-N 2.81Å; L115-N118 PolarHBondContact O-N 2.97Å; L115-H119 VanDerWaalsContact O-CB 3.23Å; L115-H119 WeakPolarHBondContact O-CB 3.48Å; L115-H119 PolarHBondContact O-N 3.31Å; L115-I580 HydrophobicContact CD2-CG2 4.14Å
116	K	94.4	Very high	92.4	Very high	83 Å²	83	50.3 Å²	50.3	36%	0.361	24%	0.24	S	C	.	.	H	α-helix	trans	-56.2	-50.3	175	-176.1	172.4	178.8	179.4	0	112	Y40 G112 N118 H119 E120	Y40-K116 HydrophobicContact CD2-CB 3.66Å; Y40-K116 HydrophobicContact CD2-CD 4.08Å; Y40-K116 HydrophobicContact CD2-CG 4Å; Y40-K116 HydrophobicContact CE2-CB 3.42Å; Y40-K116 VanDerWaalsContact CE2-CB 3.42Å; Y40-K116 HydrophobicContact CE2-CD 4.14Å; Y40-K116 HydrophobicContact CE2-CG 3.62Å; Y40-K116 HydrophobicContact CG-CB 4.4Å; G112-K116 WeakPolarHBondContact O-CB 3.34Å; G112-K116 PolarHBondContact O-N 3.25Å; K116-N118 VanDerWaalsContact C-N 3.35Å; K116-N118 PolarHBondContact O-N 3.12Å; K116-H119 PolarHBondContact O-N 3.49Å; K116-E120 WeakPolarHBondContact CE-OE1 3.35Å; K116-E120 WeakPolarHBondContact CG-OE1 3.15Å; K116-E120 WeakPolarHBondContact O-CG 3.34Å; K116-E120 PolarHBondContact O-N 3.29Å
117	K	95	Very high	91.9	Very high	128 Å²	128	51.5 Å²	51.5	56%	0.557	25%	0.247	S	C	*	.	H	α-helix	trans	-60.7	-42.4	-179.8	-175.3	-177.6	178.7	-174.6	0	112.2	I113 L114 L115 A121	I113-K117 WeakPolarHBondContact O-CB 3.33Å; I113-K117 PolarHBondContact O-N 2.8Å; L114-K117 PolarHBondContact O-N 3.37Å; L115-K117 PolarHBondContact O-N 2.81Å; K117-A121 VanDerWaalsContact O-CB 3.24Å; K117-A121 WeakPolarHBondContact O-CB 3.17Å; K117-A121 PolarHBondContact O-N 2.89Å
118	N	95.2	Very high	91.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-71.9	-38.8	179.4	-77.3	-81.8	0	0	0	112.1	R91 C94 L114 L115 K116 A121 L122	R91-N118 WeakPolarHBondContact CA-OD1 3.4Å; R91-N118 HydrophobicContact CB-CB 4.42Å; R91-N118 WeakPolarHBondContact CG-OD1 3.46Å; C94-N118 PolarHBondContact SG-ND2 2.83Å; L114-N118 PolarHBondContact O-N 3.06Å; L114-N118 VanDerWaalsContact O-N 3.07Å; L114-N118 PolarHBondContact O-ND2 3.33Å; L115-N118 PolarHBondContact O-N 2.97Å; K116-N118 VanDerWaalsContact C-N 3.35Å; K116-N118 PolarHBondContact O-N 3.12Å; N118-A121 PolarHBondContact O-N 3.05Å; N118-L122 WeakPolarHBondContact O-CB 3.35Å; N118-L122 VanDerWaalsContact O-CG 3.28Å; N118-L122 WeakPolarHBondContact O-CG 3.34Å; N118-L122 PolarHBondContact O-N 3.32Å
119	H	95.1	Very high	90.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-51.8	173.7	177	-95.6	0	0	0	111.8	Y40 P52 F60 N61 L95 L115 K116 A121 L122 I123	Y40-H119 WeakPolarHBondContact OH-CB 3.27Å; Y40-H119 VanDerWaalsContact OH-CG 3.29Å; P52-H119 PolarHBondContact O-CE1 3.39Å; F60-H119 AromaticContact CD1-NE2 3.96Å; F60-H119 AromaticContact CE1-CD2 3.53Å; F60-H119 AromaticContact CE1-NE2 3.7Å; N61-H119 PolarHBondContact OD1-NE2 3.01Å; L95-H119 HydrophobicContact CD1-CB 4.23Å; L95-H119 HydrophobicContact CD2-CB 4.37Å; L115-H119 VanDerWaalsContact O-CB 3.23Å; L115-H119 WeakPolarHBondContact O-CB 3.48Å; L115-H119 PolarHBondContact O-N 3.31Å; K116-H119 PolarHBondContact O-N 3.49Å; H119-A121 VanDerWaalsContact C-N 3.33Å; H119-A121 PolarHBondContact O-N 3.24Å; H119-L122 PolarHBondContact O-N 3.13Å; H119-I123 WeakPolarHBondContact CE1-CD1 3.46Å; H119-I123 WeakPolarHBondContact O-CG1 3.29Å; H119-I123 PolarHBondContact O-N 3.42Å; H119-I123 VanDerWaalsContact O-N 3.1Å
120	E	93.7	Very high	89	Confident	88 Å²	88	53.6 Å²	53.6	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-41.4	176.7	-71	172.3	179.7	0	0	111.9	K116 I123 N124	K116-E120 WeakPolarHBondContact CE-OE1 3.35Å; K116-E120 WeakPolarHBondContact CG-OE1 3.15Å; K116-E120 WeakPolarHBondContact O-CG 3.34Å; K116-E120 PolarHBondContact O-N 3.29Å; E120-I123 PolarHBondContact O-N 3.27Å; E120-N124 WeakPolarHBondContact O-CB 3.3Å; E120-N124 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-ND2 3.31Å; E120-N124 VanDerWaalsContact O-ND2 3.11Å
121	A	92.9	Very high	87.4	Confident	19 Å²	19	50 Å²	50	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-38.9	179.4	0	0	0	0	0	113.1	K117 N118 H119 E125	K117-A121 VanDerWaalsContact O-CB 3.24Å; K117-A121 WeakPolarHBondContact O-CB 3.17Å; K117-A121 PolarHBondContact O-N 2.89Å; N118-A121 PolarHBondContact O-N 3.05Å; H119-A121 VanDerWaalsContact C-N 3.33Å; H119-A121 PolarHBondContact O-N 3.24Å; A121-E125 WeakPolarHBondContact O-CB 3.39Å; A121-E125 PolarHBondContact O-N 3.39Å
122	L	93.4	Very high	85.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-46.9	175	-76.5	164.7	0	0	0	111.3	F60 F88 R91 L92 L95 N118 H119 N124 E125 I126	F60-L122 HydrophobicContact CE2-CB 4.11Å; F60-L122 HydrophobicContact CZ-CB 3.8Å; F60-L122 HydrophobicContact CZ-CD1 4.03Å; F88-L122 HydrophobicContact CD2-CD2 3.66Å; F88-L122 HydrophobicContact CE2-CD2 3.48Å; F88-L122 VanDerWaalsContact CE2-CD2 3.48Å; F88-L122 HydrophobicContact CG-CD2 4.26Å; F88-L122 HydrophobicContact CZ-CD2 3.95Å; R91-L122 HydrophobicContact CB-CD1 4.15Å; R91-L122 HydrophobicContact CB-CD2 3.7Å; R91-L122 HydrophobicContact CB-CG 3.72Å; L92-L122 HydrophobicContact CB-CD2 4.25Å; L95-L122 HydrophobicContact CB-CD1 4.2Å; L95-L122 HydrophobicContact CD2-CD1 3.77Å; N118-L122 WeakPolarHBondContact O-CB 3.35Å; N118-L122 VanDerWaalsContact O-CG 3.28Å; N118-L122 WeakPolarHBondContact O-CG 3.34Å; N118-L122 PolarHBondContact O-N 3.32Å; H119-L122 PolarHBondContact O-N 3.13Å; L122-N124 VanDerWaalsContact C-N 3.34Å; L122-N124 PolarHBondContact O-N 3.31Å; L122-E125 PolarHBondContact O-N 3.12Å; L122-I126 WeakPolarHBondContact O-CB 3.42Å; L122-I126 WeakPolarHBondContact O-CD1 3.26Å; L122-I126 VanDerWaalsContact O-CG1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.2Å; L122-I126 PolarHBondContact O-N 3.46Å
123	I	90.6	Very high	84.1	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-49.8	177.3	-70.2	165.3	0	0	0	110.2	V57 F60 H119 E120 E125 I126 V127	V57-I123 HydrophobicContact CB-CD1 4.28Å; V57-I123 HydrophobicContact CG1-CD1 4.2Å; V57-I123 HydrophobicContact CG1-CG1 4.35Å; V57-I123 HydrophobicContact CG1-CG2 3.89Å; V57-I123 HydrophobicContact CG2-CD1 3.95Å; F60-I123 HydrophobicContact CD1-CD1 4.27Å; F60-I123 HydrophobicContact CD1-CG1 3.95Å; F60-I123 HydrophobicContact CE1-CD1 4.35Å; F60-I123 HydrophobicContact CE1-CG1 3.99Å; F60-I123 HydrophobicContact CG-CG1 4.37Å; F60-I123 HydrophobicContact CZ-CG1 4.44Å; H119-I123 WeakPolarHBondContact CE1-CD1 3.46Å; H119-I123 WeakPolarHBondContact O-CG1 3.29Å; H119-I123 PolarHBondContact O-N 3.42Å; H119-I123 VanDerWaalsContact O-N 3.1Å; E120-I123 PolarHBondContact O-N 3.27Å; I123-E125 VanDerWaalsContact C-N 3.31Å; I123-E125 PolarHBondContact O-N 3.29Å; I123-I126 PolarHBondContact O-N 3.36Å; I123-V127 HydrophobicContact CG2-CG2 4.47Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.25Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 3.1Å
124	N	89.3	Confident	82.2	Confident	88 Å²	88	50.7 Å²	50.7	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-39.5	179.6	-69.7	-29.3	0	0	0	112.1	E120 L122 N128	E120-N124 WeakPolarHBondContact O-CB 3.3Å; E120-N124 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-ND2 3.31Å; E120-N124 VanDerWaalsContact O-ND2 3.11Å; L122-N124 VanDerWaalsContact C-N 3.34Å; L122-N124 PolarHBondContact O-N 3.31Å; N124-N128 WeakPolarHBondContact O-CB 3.14Å; N124-N128 PolarHBondContact O-N 3.49Å; N124-N128 PolarHBondContact O-ND2 2.8Å; N124-N128 VanDerWaalsContact O-ND2 3.11Å
125	E	86.9	Confident	80.5	Confident	36 Å²	36	53.8 Å²	53.8	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-41.8	178.9	-172.7	167.1	175	0	0	112.4	F88 R91 A121 L122 I123 N128 T129	F88-E125 WeakPolarHBondContact CB-OE1 3.25Å; F88-E125 HydrophobicContact CD2-CB 4.35Å; F88-E125 HydrophobicContact CD2-CG 3.97Å; R91-E125 IonicContact CZ-OE2 3.06Å; R91-E125 IonicContact NH1-OE2 2.77Å; R91-E125 PolarHBondContact NH1-OE2 3.08Å; A121-E125 WeakPolarHBondContact O-CB 3.39Å; A121-E125 PolarHBondContact O-N 3.39Å; L122-E125 PolarHBondContact O-N 3.12Å; I123-E125 VanDerWaalsContact C-N 3.31Å; I123-E125 PolarHBondContact O-N 3.29Å; E125-N128 PolarHBondContact O-N 3.07Å; E125-T129 HydrophobicContact CG-CG2 4.06Å; E125-T129 WeakPolarHBondContact O-CB 3.22Å; E125-T129 VanDerWaalsContact O-CG2 3.25Å; E125-T129 WeakPolarHBondContact O-CG2 3.41Å; E125-T129 PolarHBondContact O-N 3.2Å; E125-T129 PolarHBondContact O-OG1 2.87Å
126	I	84.5	Confident	78.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-49.2	176.2	-72.8	163.6	0	0	0	110.7	F60 F88 L122 I123 N128 T129 Q130 W132 L143 F146	F60-I126 HydrophobicContact CD2-CD1 3.55Å; F60-I126 HydrophobicContact CE2-CD1 3.52Å; F88-I126 HydrophobicContact CE2-CD1 4.23Å; F88-I126 HydrophobicContact CE2-CG1 3.82Å; F88-I126 HydrophobicContact CZ-CD1 4.3Å; F88-I126 HydrophobicContact CZ-CG1 4.15Å; L122-I126 WeakPolarHBondContact O-CB 3.42Å; L122-I126 WeakPolarHBondContact O-CD1 3.26Å; L122-I126 VanDerWaalsContact O-CG1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.2Å; L122-I126 PolarHBondContact O-N 3.46Å; I123-I126 PolarHBondContact O-N 3.36Å; I126-N128 VanDerWaalsContact C-N 3.29Å; I126-N128 PolarHBondContact O-N 2.77Å; I126-T129 PolarHBondContact O-N 3.25Å; I126-T129 PolarHBondContact O-OG1 2.89Å; I126-Q130 PolarHBondContact O-N 3.27Å; I126-Q130 VanDerWaalsContact O-N 3.17Å; I126-W132 HydrophobicContact CG2-CD2 4.34Å; I126-W132 HydrophobicContact CG2-CE3 3.28Å; I126-W132 HydrophobicContact CG2-CH2 4.06Å; I126-W132 HydrophobicContact CG2-CZ3 3.11Å; I126-L143 HydrophobicContact CD1-CD1 3.74Å; I126-L143 HydrophobicContact CG1-CD1 4.22Å; I126-L143 HydrophobicContact CG2-CD1 4.22Å; I126-F146 HydrophobicContact CG1-CE1 4.48Å
127	V	81.3	Confident	77.7	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-42.7	178.2	168.4	0	0	0	0	111.1	I123 W132 I134	I123-V127 HydrophobicContact CG2-CG2 4.47Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.25Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 3.1Å; V127-W132 PolarHBondContact O-N 3.13Å; V127-I134 HydrophobicContact CG1-CB 4.47Å; V127-I134 HydrophobicContact CG1-CD1 4.47Å; V127-I134 HydrophobicContact CG1-CG1 3.63Å
128	N	78	Confident	77.1	Confident	117 Å²	117	53.9 Å²	53.9	63%	0.626	28%	0.28	S	S	*	.	H	α-helix	trans	-73.9	-39.4	180	-69.3	-21.1	0	0	0	113.6	N124 E125 I126	N124-N128 WeakPolarHBondContact O-CB 3.14Å; N124-N128 PolarHBondContact O-N 3.49Å; N124-N128 PolarHBondContact O-ND2 2.8Å; N124-N128 VanDerWaalsContact O-ND2 3.11Å; E125-N128 PolarHBondContact O-N 3.07Å; I126-N128 VanDerWaalsContact C-N 3.29Å; I126-N128 PolarHBondContact O-N 2.77Å
129	T	70	Confident	76.7	Confident	57 Å²	57	55.5 Å²	55.5	35%	0.35	29%	0.289	S	S	.	.	H	α-helix	trans	-75.9	-38	-172.4	46.8	0	0	0	0	113	E125 I126	E125-T129 HydrophobicContact CG-CG2 4.06Å; E125-T129 WeakPolarHBondContact O-CB 3.22Å; E125-T129 VanDerWaalsContact O-CG2 3.25Å; E125-T129 WeakPolarHBondContact O-CG2 3.41Å; E125-T129 PolarHBondContact O-N 3.2Å; E125-T129 PolarHBondContact O-OG1 2.87Å; I126-T129 PolarHBondContact O-N 3.25Å; I126-T129 PolarHBondContact O-OG1 2.89Å
130	Q	63.3	Low	76.6	Confident	48 Å²	48	55.4 Å²	55.4	22%	0.224	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.2	-176.8	-70.3	-67	-28.6	0	0	113.9	I126 W132	I126-Q130 PolarHBondContact O-N 3.27Å; I126-Q130 VanDerWaalsContact O-N 3.17Å; Q130-W132 HydrophobicContact CB-CB 4.31Å; Q130-W132 HydrophobicContact CB-CD2 3.57Å; Q130-W132 VanDerWaalsContact CB-CE2 3.44Å; Q130-W132 HydrophobicContact CB-CE3 4.43Å; Q130-W132 HydrophobicContact CB-CG 3.47Å; Q130-W132 VanDerWaalsContact CB-CG 3.47Å; Q130-W132 HydrophobicContact CB-CZ2 4.16Å; Q130-W132 VanDerWaalsContact CB-NE1 3.31Å; Q130-W132 HydrophobicContact CG-CD2 4.03Å; Q130-W132 HydrophobicContact CG-CG 4.43Å; Q130-W132 HydrophobicContact CG-CH2 4.38Å; Q130-W132 HydrophobicContact CG-CZ2 3.77Å; Q130-W132 PolarHBondContact O-N 3.03Å; Q130-W132 VanDerWaalsContact O-N 3.1Å
131	N	60.5	Low	76.5	Confident	150 Å²	150	53.6 Å²	53.6	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	27.1	-164.3	-69.3	-24	0	0	0	112.4	A133	N131-A133 PolarHBondContact O-N 2.88Å
132	W	63.8	Low	76.3	Confident	24 Å²	24	57.2 Å²	57.2	9%	0.091	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-64.9	131.7	177.8	-73	-11.5	0	0	0	108.8	Y59 I126 V127 Q130 I134 Q138 E142 L143	Y59-W132 AromaticContact CE2-CZ3 3.92Å; Y59-W132 HydrophobicContact CE2-CZ3 3.92Å; I126-W132 HydrophobicContact CG2-CD2 4.34Å; I126-W132 HydrophobicContact CG2-CE3 3.28Å; I126-W132 HydrophobicContact CG2-CH2 4.06Å; I126-W132 HydrophobicContact CG2-CZ3 3.11Å; V127-W132 PolarHBondContact O-N 3.13Å; Q130-W132 HydrophobicContact CB-CB 4.31Å; Q130-W132 HydrophobicContact CB-CD2 3.57Å; Q130-W132 VanDerWaalsContact CB-CE2 3.44Å; Q130-W132 HydrophobicContact CB-CE3 4.43Å; Q130-W132 HydrophobicContact CB-CG 3.47Å; Q130-W132 VanDerWaalsContact CB-CG 3.47Å; Q130-W132 HydrophobicContact CB-CZ2 4.16Å; Q130-W132 VanDerWaalsContact CB-NE1 3.31Å; Q130-W132 HydrophobicContact CG-CD2 4.03Å; Q130-W132 HydrophobicContact CG-CG 4.43Å; Q130-W132 HydrophobicContact CG-CH2 4.38Å; Q130-W132 HydrophobicContact CG-CZ2 3.77Å; Q130-W132 PolarHBondContact O-N 3.03Å; Q130-W132 VanDerWaalsContact O-N 3.1Å; W132-I134 PolarHBondContact O-N 3.48Å; W132-Q138 HydrophobicContact CD2-CG 4.08Å; W132-Q138 HydrophobicContact CE3-CB 4.3Å; W132-Q138 HydrophobicContact CE3-CG 3.83Å; W132-Q138 HydrophobicContact CG-CG 4.38Å; W132-Q138 HydrophobicContact CZ3-CB 4.39Å; W132-Q138 HydrophobicContact CZ3-CG 4.4Å; W132-E142 HydrophobicContact CZ2-CG 4.2Å; W132-L143 HydrophobicContact CH2-CB 3.93Å; W132-L143 HydrophobicContact CH2-CD1 3.88Å; W132-L143 HydrophobicContact CH2-CG 4.48Å; W132-L143 HydrophobicContact CZ3-CB 4.41Å; W132-L143 HydrophobicContact CZ3-CD1 4.01Å
133	A	54.6	Low	76.1	Confident	41 Å²	41	57.2 Å²	57.2	34%	0.339	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-61.6	126.2	-176.1	0	0	0	0	0	109.6	N131 H135 E136	N131-A133 PolarHBondContact O-N 2.88Å; A133-H135 PolarHBondContact O-N 3.25Å; A133-H135 VanDerWaalsContact O-N 3.1Å; A133-E136 HydrophobicContact CB-CB 4.06Å; A133-E136 HydrophobicContact CB-CG 3.71Å; A133-E136 WeakPolarHBondContact CB-OE2 3.18Å; A133-E136 PolarHBondContact O-N 3.06Å; A133-E136 VanDerWaalsContact O-N 3.08Å
134	I	53.6	Low	76.2	Confident	103 Å²	103	56.8 Å²	56.8	53%	0.528	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	117.9	175.8	-47.5	174.5	0	0	0	106	V127 W132	V127-I134 HydrophobicContact CG1-CB 4.47Å; V127-I134 HydrophobicContact CG1-CD1 4.47Å; V127-I134 HydrophobicContact CG1-CG1 3.63Å; W132-I134 PolarHBondContact O-N 3.48Å
135	H	57.7	Low	76.1	Confident	108 Å²	108	53.8 Å²	53.8	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-2.9	-178.5	-50	-73.2	0	0	0	118.1	R55 N56 A133	R55-H135 PolarHBondContact NH1-CE1 3.24Å; N56-H135 PolarHBondContact ND2-O 2.9Å; A133-H135 PolarHBondContact O-N 3.25Å; A133-H135 VanDerWaalsContact O-N 3.1Å
136	E	63.8	Low	75.9	Confident	121 Å²	121	52.9 Å²	52.9	57%	0.565	28%	0.277	S	S	*	.			trans	-81.6	145.6	172.9	-77	-178.4	-178.9	0	0	112	A133	A133-E136 HydrophobicContact CB-CB 4.06Å; A133-E136 HydrophobicContact CB-CG 3.71Å; A133-E136 WeakPolarHBondContact CB-OE2 3.18Å; A133-E136 PolarHBondContact O-N 3.06Å; A133-E136 VanDerWaalsContact O-N 3.08Å
137	Q	68.1	Low	76	Confident	64 Å²	64	52.9 Å²	52.9	30%	0.299	28%	0.277	S	S	.	.			trans	-66.8	135.4	169.7	-58.2	-161.9	-18.4	0	0	109	Q428 C429 G430	Q137-Q428 PolarHBondContact OE1-O 3.5Å; Q137-C429 VanDerWaalsContact OE1-N 3.1Å; Q137-G430 PolarHBondContact NE2-O 3.26Å
138	Q	83.2	Confident	76.2	Confident	27 Å²	27	51.7 Å²	51.7	13%	0.126	27%	0.27	C	S	.	.			trans	-121.7	165.5	179.6	-58.4	-61.1	-25.2	0	0	110.5	Y59 W132	Y59-Q138 VanDerWaalsContact CB-O 3.26Å; Y59-Q138 WeakPolarHBondContact CB-O 3.25Å; Y59-Q138 HydrophobicContact CD1-CB 4.01Å; Y59-Q138 HydrophobicContact CD2-CB 3.85Å; Y59-Q138 HydrophobicContact CE1-CB 3.81Å; Y59-Q138 HydrophobicContact CE1-CG 4.07Å; Y59-Q138 HydrophobicContact CE2-CB 3.65Å; Y59-Q138 HydrophobicContact CE2-CG 4.3Å; Y59-Q138 HydrophobicContact CG-CB 4.04Å; W132-Q138 HydrophobicContact CD2-CG 4.08Å; W132-Q138 HydrophobicContact CE3-CB 4.3Å; W132-Q138 HydrophobicContact CE3-CG 3.83Å; W132-Q138 HydrophobicContact CG-CG 4.38Å; W132-Q138 HydrophobicContact CZ3-CB 4.39Å; W132-Q138 HydrophobicContact CZ3-CG 4.4Å
139	D	87.1	Confident	76.3	Confident	38 Å²	38	49.2 Å²	49.2	20%	0.203	26%	0.255	C	S	.	.			trans	-91.9	123.8	-177.8	-167.9	-15	0	0	0	111.9	H141 E142 L143 Y503	D139-H141 PolarHBondContact O-N 2.86Å; D139-H141 WeakPolarHBondContact OD1-CB 3.18Å; D139-H141 PolarHBondContact OD1-N 2.98Å; D139-E142 HydrophobicContact CB-CB 4.02Å; D139-E142 PolarHBondContact O-N 2.93Å; D139-L143 PolarHBondContact O-N 3.41Å; D139-Y503 VanDerWaalsContact OD1-CE1 3.3Å; D139-Y503 WeakPolarHBondContact OD1-CE1 3.32Å; D139-Y503 VanDerWaalsContact OD1-CZ 3.31Å; D139-Y503 PolarHBondContact OD1-OH 2.94Å; D139-Y503 PolarHBondContact OD2-OH 2.78Å
140	A	92.1	Very high	76.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-31.5	173.8	0	0	0	0	0	113	F144 I420 Y432 L504	A140-F144 WeakPolarHBondContact O-CB 3.41Å; A140-F144 PolarHBondContact O-N 3.36Å; A140-I420 HydrophobicContact CB-CD1 4.48Å; A140-Y432 HydrophobicContact CB-CD1 4.15Å; A140-Y432 HydrophobicContact CB-CE1 3.9Å; A140-L504 HydrophobicContact CB-CD1 4.08Å
141	H	90.9	Very high	77.6	Confident	49 Å²	49	45.3 Å²	45.3	23%	0.227	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-45.7	176.3	169.5	-116.1	0	0	0	111.4	D139 F144 G145 Y320 Y503 L504	D139-H141 PolarHBondContact O-N 2.86Å; D139-H141 WeakPolarHBondContact OD1-CB 3.18Å; D139-H141 PolarHBondContact OD1-N 2.98Å; H141-F144 PolarHBondContact O-N 3.49Å; H141-G145 PolarHBondContact O-N 3.2Å; H141-Y320 HydrophobicContact CB-CD2 4.1Å; H141-Y320 HydrophobicContact CB-CE2 4.02Å; H141-Y320 AromaticContact CD2-CD1 3.88Å; H141-Y320 AromaticContact CD2-CG 3.67Å; H141-Y320 AromaticContact CE1-CD1 3.64Å; H141-Y320 AromaticContact CE1-CE1 3.74Å; H141-Y320 AromaticContact CG-CD2 3.93Å; H141-Y320 AromaticContact CG-CG 3.93Å; H141-Y320 AromaticContact ND1-CD1 3.88Å; H141-Y320 AromaticContact ND1-CE1 3.67Å; H141-Y320 AromaticContact ND1-CZ 3.87Å; H141-Y320 AromaticContact NE2-CD1 3.65Å; H141-Y320 AromaticContact NE2-CG 3.89Å; H141-Y503 HydrophobicContact CB-CE1 4.21Å; H141-L504 HydrophobicContact CB-CD1 4.21Å; H141-L504 HydrophobicContact CB-CD2 4.18Å
142	E	89	Confident	78.4	Confident	96 Å²	96	39.2 Å²	39.2	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-63.5	-44.9	177.1	-175.6	177	-169.2	0	0	111.2	W132 D139 F144 G145 F146	W132-E142 HydrophobicContact CZ2-CG 4.2Å; D139-E142 HydrophobicContact CB-CB 4.02Å; D139-E142 PolarHBondContact O-N 2.93Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 2.67Å; E142-G145 PolarHBondContact O-N 2.7Å; E142-G145 VanDerWaalsContact O-N 3.16Å; E142-F146 PolarHBondContact O-N 2.98Å
143	L	90.2	Very high	78.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-42	175.6	176.2	62.5	0	0	0	112.1	Y59 F60 L63 I126 W132 D139 G145 F146 I147	Y59-L143 HydrophobicContact CD2-CD2 3.91Å; Y59-L143 HydrophobicContact CE2-CD2 3.88Å; F60-L143 HydrophobicContact CB-CD2 4.03Å; F60-L143 HydrophobicContact CD2-CD2 3.75Å; F60-L143 HydrophobicContact CG-CD2 4.36Å; L63-L143 HydrophobicContact CB-CD2 4.49Å; L63-L143 HydrophobicContact CD2-CB 4Å; L63-L143 HydrophobicContact CD2-CD2 3.59Å; L63-L143 HydrophobicContact CD2-CG 3.56Å; I126-L143 HydrophobicContact CD1-CD1 3.74Å; I126-L143 HydrophobicContact CG1-CD1 4.22Å; I126-L143 HydrophobicContact CG2-CD1 4.22Å; W132-L143 HydrophobicContact CH2-CB 3.93Å; W132-L143 HydrophobicContact CH2-CD1 3.88Å; W132-L143 HydrophobicContact CH2-CG 4.48Å; W132-L143 HydrophobicContact CZ3-CB 4.41Å; W132-L143 HydrophobicContact CZ3-CD1 4.01Å; D139-L143 PolarHBondContact O-N 3.41Å; L143-G145 VanDerWaalsContact C-N 3.35Å; L143-F146 HydrophobicContact CD1-CD1 4.24Å; L143-F146 WeakPolarHBondContact O-CB 3.49Å; L143-F146 PolarHBondContact O-N 2.7Å; L143-I147 HydrophobicContact CD1-CD1 4.21Å; L143-I147 HydrophobicContact CD1-CG1 4.34Å; L143-I147 HydrophobicContact CG-CD1 4.15Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 2.79Å
144	F	92.3	Very high	78.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-43.7	175.7	-178	-105.2	0	0	0	111.5	L63 M67 L73 A140 H141 E142 F146 I147 M148 A235 C236 Y316 V318 F506	L63-F144 HydrophobicContact CD1-CB 3.92Å; L63-F144 HydrophobicContact CD1-CD2 3.95Å; L63-F144 HydrophobicContact CD1-CG 4.28Å; L63-F144 HydrophobicContact CD2-CB 3.94Å; M67-F144 HydrophobicContact CE-CE2 4.44Å; M67-F144 HydrophobicContact CG-CD2 4.39Å; M67-F144 HydrophobicContact CG-CE2 4.4Å; M67-F144 HydrophobicContact SD-CD2 4.13Å; M67-F144 HydrophobicContact SD-CE2 4.44Å; L73-F144 HydrophobicContact CD1-CE2 4.46Å; L73-F144 HydrophobicContact CD2-CE2 3.97Å; A140-F144 WeakPolarHBondContact O-CB 3.41Å; A140-F144 PolarHBondContact O-N 3.36Å; H141-F144 PolarHBondContact O-N 3.49Å; E142-F144 VanDerWaalsContact C-N 3.32Å; E142-F144 PolarHBondContact O-N 2.67Å; F144-F146 VanDerWaalsContact C-N 3.32Å; F144-F146 PolarHBondContact O-N 3.21Å; F144-I147 PolarHBondContact O-N 3.07Å; F144-M148 HydrophobicContact CD1-CG 4.06Å; F144-M148 HydrophobicContact CD2-CG 4.21Å; F144-M148 HydrophobicContact CE1-CG 3.62Å; F144-M148 HydrophobicContact CE2-CG 3.76Å; F144-M148 HydrophobicContact CE2-SD 3.85Å; F144-M148 HydrophobicContact CG-CG 4.36Å; F144-M148 HydrophobicContact CZ-CG 3.45Å; F144-M148 VanDerWaalsContact CZ-CG 3.45Å; F144-M148 HydrophobicContact CZ-SD 3.77Å; F144-M148 WeakPolarHBondContact O-CG 3.27Å; F144-M148 PolarHBondContact O-N 2.93Å; F144-A235 HydrophobicContact CD1-CB 4.36Å; F144-A235 HydrophobicContact CE1-CB 4.07Å; F144-C236 WeakPolarHBondContact CD1-SG 3.39Å; F144-C236 WeakPolarHBondContact CE1-SG 3.46Å; F144-Y316 HydrophobicContact CZ-CE2 4.33Å; F144-V318 HydrophobicContact CE1-CB 4.14Å; F144-V318 HydrophobicContact CE1-CG1 4.31Å; F144-V318 HydrophobicContact CE1-CG2 3.84Å; F144-V318 HydrophobicContact CZ-CB 4.44Å; F144-V318 HydrophobicContact CZ-CG2 3.64Å; F144-F506 HydrophobicContact CD2-CE1 4.17Å; F144-F506 HydrophobicContact CD2-CZ 4.19Å; F144-F506 AromaticContact CE2-CE1 3.78Å; F144-F506 HydrophobicContact CE2-CE1 3.78Å; F144-F506 HydrophobicContact CE2-CZ 4.25Å; F144-F506 HydrophobicContact CZ-CE1 4.14Å
145	G	87.1	Confident	78.8	Confident	26 Å²	26	38.3 Å²	38.3	27%	0.268	19%	0.192	S	C	.	.	H	α-helix	trans	-55.3	-46	173.4	0	0	0	0	0	112.5	H141 E142 L143 M148 E149	H141-G145 PolarHBondContact O-N 3.2Å; E142-G145 PolarHBondContact O-N 2.7Å; E142-G145 VanDerWaalsContact O-N 3.16Å; L143-G145 VanDerWaalsContact C-N 3.35Å; G145-M148 PolarHBondContact O-N 3.31Å; G145-E149 WeakPolarHBondContact O-CB 3.34Å; G145-E149 PolarHBondContact O-N 3.32Å
146	F	83.8	Confident	78.6	Confident	17 Å²	17	40.7 Å²	40.7	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-47.7	175.7	167.6	-106.5	0	0	0	112.8	F88 I126 E142 L143 F144 M148 E149 R150 F158	F88-F146 HydrophobicContact CE1-CE1 4.31Å; F88-F146 HydrophobicContact CE2-CE1 4.37Å; F88-F146 AromaticContact CZ-CE1 3.91Å; F88-F146 HydrophobicContact CZ-CE1 3.91Å; I126-F146 HydrophobicContact CG1-CE1 4.48Å; E142-F146 PolarHBondContact O-N 2.98Å; L143-F146 HydrophobicContact CD1-CD1 4.24Å; L143-F146 WeakPolarHBondContact O-CB 3.49Å; L143-F146 PolarHBondContact O-N 2.7Å; F144-F146 VanDerWaalsContact C-N 3.32Å; F144-F146 PolarHBondContact O-N 3.21Å; F146-M148 VanDerWaalsContact C-N 3.34Å; F146-M148 PolarHBondContact O-N 2.72Å; F146-E149 PolarHBondContact O-N 3.38Å; F146-R150 WeakPolarHBondContact O-CB 3.21Å; F146-R150 PolarHBondContact O-N 3.34Å; F146-F158 AromaticContact CE2-CE1 3.94Å; F146-F158 HydrophobicContact CE2-CE1 3.94Å; F146-F158 HydrophobicContact CE2-CZ 4.16Å; F146-F158 HydrophobicContact CZ-CE1 4.45Å
147	I	86.7	Confident	77.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-45.4	179.2	-69	170.8	0	0	0	110.4	L63 M64 M67 F88 L92 L143 F144 R150 A151	L63-I147 HydrophobicContact CD2-CD1 4.03Å; M64-I147 HydrophobicContact CE-CD1 3.8Å; M67-I147 HydrophobicContact CE-CG2 4Å; M67-I147 HydrophobicContact SD-CD1 4.19Å; F88-I147 HydrophobicContact CE1-CG1 4.23Å; F88-I147 HydrophobicContact CZ-CG1 4.32Å; L92-I147 HydrophobicContact CD2-CD1 4.47Å; L92-I147 HydrophobicContact CD2-CG2 3.58Å; L143-I147 HydrophobicContact CD1-CD1 4.21Å; L143-I147 HydrophobicContact CD1-CG1 4.34Å; L143-I147 HydrophobicContact CG-CD1 4.15Å; L143-I147 WeakPolarHBondContact O-CG1 3.46Å; L143-I147 PolarHBondContact O-N 2.79Å; F144-I147 PolarHBondContact O-N 3.07Å; I147-R150 PolarHBondContact O-N 3.47Å; I147-A151 WeakPolarHBondContact O-CB 3.45Å; I147-A151 PolarHBondContact O-N 2.97Å
148	M	84.7	Confident	77	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-37.9	-179.6	-67.5	-50.5	-55.4	0	0	112.3	L73 L76 F144 G145 F146 R150 A151 C152 A235 Y316	L73-M148 HydrophobicContact CD1-CE 4.19Å; L73-M148 HydrophobicContact CD1-SD 3.75Å; L76-M148 HydrophobicContact CD1-CE 3.93Å; L76-M148 HydrophobicContact CD2-CE 3.86Å; F144-M148 HydrophobicContact CD1-CG 4.06Å; F144-M148 HydrophobicContact CD2-CG 4.21Å; F144-M148 HydrophobicContact CE1-CG 3.62Å; F144-M148 HydrophobicContact CE2-CG 3.76Å; F144-M148 HydrophobicContact CE2-SD 3.85Å; F144-M148 HydrophobicContact CG-CG 4.36Å; F144-M148 HydrophobicContact CZ-CG 3.45Å; F144-M148 VanDerWaalsContact CZ-CG 3.45Å; F144-M148 HydrophobicContact CZ-SD 3.77Å; F144-M148 WeakPolarHBondContact O-CG 3.27Å; F144-M148 PolarHBondContact O-N 2.93Å; G145-M148 PolarHBondContact O-N 3.31Å; F146-M148 VanDerWaalsContact C-N 3.34Å; F146-M148 PolarHBondContact O-N 2.72Å; M148-R150 VanDerWaalsContact C-N 3.33Å; M148-A151 PolarHBondContact O-N 3.39Å; M148-C152 WeakPolarHBondContact O-CB 3.28Å; M148-C152 PolarHBondContact O-N 2.91Å; M148-C152 PolarHBondContact O-SG 2.96Å; M148-C152 VanDerWaalsContact O-SG 3.4Å; M148-A235 HydrophobicContact CB-CB 3.9Å; M148-A235 HydrophobicContact CG-CB 4.07Å; M148-Y316 WeakPolarHBondContact CE-OH 3.38Å
149	E	79	Confident	75.2	Confident	64 Å²	64	44.3 Å²	44.3	30%	0.299	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-41.5	173.6	177.8	157.9	-141.7	0	0	111.5	G145 F146 S153 F158 R185	G145-E149 WeakPolarHBondContact O-CB 3.34Å; G145-E149 PolarHBondContact O-N 3.32Å; F146-E149 PolarHBondContact O-N 3.38Å; E149-S153 VanDerWaalsContact O-CB 3.31Å; E149-S153 WeakPolarHBondContact O-CB 3.25Å; E149-S153 PolarHBondContact O-N 3.4Å; E149-F158 HydrophobicContact CG-CE2 4.18Å; E149-R185 IonicContact OE1-CZ 2.9Å; E149-R185 IonicContact OE1-NH1 3.12Å; E149-R185 PolarHBondContact OE1-NH1 3.34Å; E149-R185 IonicContact OE1-NH2 3.76Å
150	R	80.6	Confident	72.7	Confident	16 Å²	16	46 Å²	46	6%	0.06	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-45.3	174.9	-172.2	170.9	-175.6	112.4	1.6	111.8	R84 D86 F146 I147 M148 C152 S153 F158	R84-R150 PolarHBondContact NH2-O 2.76Å; D86-R150 VanDerWaalsContact CG-NH2 3.34Å; D86-R150 IonicContact OD1-CZ 2.69Å; D86-R150 IonicContact OD1-NE 2.74Å; D86-R150 IonicContact OD1-NH2 3.64Å; D86-R150 PolarHBondContact OD1-NH2 3.36Å; D86-R150 IonicContact OD2-CZ 3.23Å; D86-R150 IonicContact OD2-NE 2.85Å; D86-R150 PolarHBondContact OD2-NE 3.11Å; D86-R150 IonicContact OD2-NH2 3.64Å; D86-R150 PolarHBondContact OD2-NH2 2.92Å; F146-R150 WeakPolarHBondContact O-CB 3.21Å; F146-R150 PolarHBondContact O-N 3.34Å; I147-R150 PolarHBondContact O-N 3.47Å; M148-R150 VanDerWaalsContact C-N 3.33Å; R150-C152 VanDerWaalsContact C-N 3.35Å; R150-C152 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-N 2.83Å; R150-F158 HydrophobicContact CB-CD1 4.38Å; R150-F158 HydrophobicContact CB-CE1 3.68Å; R150-F158 HydrophobicContact CB-CE2 4.4Å; R150-F158 HydrophobicContact CB-CZ 3.69Å; R150-F158 HydrophobicContact CG-CD1 3.82Å; R150-F158 HydrophobicContact CG-CE1 3.57Å; R150-F158 HydrophobicContact CG-CZ 4.06Å; R150-F158 VanDerWaalsContact NH1-CD1 3.26Å
151	A	81.6	Confident	69.8	Low	7 Å²	7	54.9 Å²	54.9	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-40.3	179.9	0	0	0	0	0	112.1	L76 L77 S80 M89 I147 M148	L76-A151 HydrophobicContact CD2-CB 4.35Å; L77-A151 HydrophobicContact CD2-CB 3.65Å; S80-A151 WeakPolarHBondContact CB-O 3.25Å; S80-A151 WeakPolarHBondContact OG-CA 3.38Å; S80-A151 PolarHBondContact OG-O 3.23Å; M89-A151 HydrophobicContact CE-CB 3.98Å; M89-A151 HydrophobicContact SD-CB 4.42Å; I147-A151 WeakPolarHBondContact O-CB 3.45Å; I147-A151 PolarHBondContact O-N 2.97Å; M148-A151 PolarHBondContact O-N 3.39Å
152	C	76.6	Confident	66.9	Low	22 Å²	22	58.5 Å²	58.5	15%	0.149	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6.1	-179.4	-57.7	0	0	0	0	113.6	M148 R150 R165	M148-C152 WeakPolarHBondContact O-CB 3.28Å; M148-C152 PolarHBondContact O-N 2.91Å; M148-C152 PolarHBondContact O-SG 2.96Å; M148-C152 VanDerWaalsContact O-SG 3.4Å; R150-C152 VanDerWaalsContact C-N 3.35Å; R150-C152 PolarHBondContact O-N 3.12Å; C152-R165 PolarHBondContact O-NH2 3.17Å
153	S	68.6	Low	64	Low	6 Å²	6	64.2 Å²	64.2	4%	0.042	34%	0.339	C	S	.	.			trans	-72.4	138.9	175.2	-172.4	0	0	0	0	111.3	R84 E149 R150 D155	R84-S153 PolarHBondContact NE-O 3.3Å; E149-S153 VanDerWaalsContact O-CB 3.31Å; E149-S153 WeakPolarHBondContact O-CB 3.25Å; E149-S153 PolarHBondContact O-N 3.4Å; R150-S153 PolarHBondContact O-N 2.83Å; S153-D155 PolarHBondContact OG-N 3.4Å
154	Q	57.3	Low	61.1	Low	93 Å²	93	69.1 Å²	69.1	44%	0.435	38%	0.379	S	S	.	.			trans	-104.2	-3.7	176.3	-73.5	-87.6	-47.8	0	0	112.3	L170	Q154-L170 HydrophobicContact CG-CD1 3.31Å; Q154-L170 HydrophobicContact CG-CG 3.58Å; Q154-L170 VanDerWaalsContact NE2-CG 3.27Å
155	D	54.3	Low	58.4	Low	51 Å²	51	71.6 Å²	71.6	27%	0.273	39%	0.388	S	S	.	.			trans	-91.4	125.5	-171.8	-59.8	38.7	0	0	0	107.7	S153 D157 R165	S153-D155 PolarHBondContact OG-N 3.4Å; D155-D157 PolarHBondContact O-N 3.11Å; D155-R165 VanDerWaalsContact CG-CG 3.45Å; D155-R165 WeakPolarHBondContact OD1-CD 3.36Å; D155-R165 VanDerWaalsContact OD1-CG 3.31Å; D155-R165 WeakPolarHBondContact OD1-CG 3.41Å; D155-R165 IonicContact OD1-CZ 2.7Å; D155-R165 IonicContact OD1-NH1 3.9Å; D155-R165 PolarHBondContact OD1-NH1 3.09Å; D155-R165 WeakPolarHBondContact OD2-CG 3.32Å
156	D	53.5	Low	55.5	Low	157 Å²	157	78.7 Å²	78.7	84%	0.84	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.7	-179.9	-67.9	-36.3	0	0	0	112.4
157	D	50.2	Low	53	Low	128 Å²	128	80.5 Å²	80.5	68%	0.684	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	33.3	-168.1	-122.3	3.8	0	0	0	114.5	D155 S159 S160	D155-D157 PolarHBondContact O-N 3.11Å; D157-S159 PolarHBondContact O-N 3.45Å; D157-S160 PolarHBondContact O-OG 3.1Å
158	F	48.9	Very low	50.3	Low	50 Å²	50	84.4 Å²	84.4	22%	0.219	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.2	-179.1	-166.6	-90.5	0	0	0	114	F146 E149 R150 S160	F146-F158 AromaticContact CE2-CE1 3.94Å; F146-F158 HydrophobicContact CE2-CE1 3.94Å; F146-F158 HydrophobicContact CE2-CZ 4.16Å; F146-F158 HydrophobicContact CZ-CE1 4.45Å; E149-F158 HydrophobicContact CG-CE2 4.18Å; R150-F158 HydrophobicContact CB-CD1 4.38Å; R150-F158 HydrophobicContact CB-CE1 3.68Å; R150-F158 HydrophobicContact CB-CE2 4.4Å; R150-F158 HydrophobicContact CB-CZ 3.69Å; R150-F158 HydrophobicContact CG-CD1 3.82Å; R150-F158 HydrophobicContact CG-CE1 3.57Å; R150-F158 HydrophobicContact CG-CZ 4.06Å; R150-F158 VanDerWaalsContact NH1-CD1 3.26Å; F158-S160 PolarHBondContact O-N 3.02Å; F158-S160 VanDerWaalsContact O-N 3.13Å
159	S	43.9	Very low	47.6	Very low	110 Å²	110	90.9 Å²	90.9	77%	0.769	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.7	-176.7	-174.3	0	0	0	0	115.1	D157	D157-S159 PolarHBondContact O-N 3.45Å
160	S	35.4	Very low	45.3	Very low	73 Å²	73	91.6 Å²	91.6	51%	0.51	49%	0.489	S	S	.	.	S	Bend	trans	-126.8	105	-170.5	10.6	0	0	0	0	111.4	D157 F158	D157-S160 PolarHBondContact O-OG 3.1Å; F158-S160 PolarHBondContact O-N 3.02Å; F158-S160 VanDerWaalsContact O-N 3.13Å
161	K	31.9	Very low	43.2	Very low	188 Å²	188	93.4 Å²	93.4	82%	0.817	50%	0.497	S	S	*	.			trans	49	111.1	157.3	-61.7	176.9	180	176.5	0	115.3	Y163	K161-Y163 PolarHBondContact O-N 3.46Å
162	T	29.8	Very low	40.6	Very low	124 Å²	124	100.1 Å²	100.1	76%	0.761	53%	0.532	S	S	*	.			trans	-29	88.7	169.1	-41.1	0	0	0	0	113.2
163	Y	27.7	Very low	38.4	Very low	217 Å²	217	103.7 Å²	103.7	85%	0.851	55%	0.546	S	S	*	.			trans	-130	131.3	174.1	-116.1	-93	0	0	0	107.8	K161 R165	K161-Y163 PolarHBondContact O-N 3.46Å; Y163-R165 PolarHBondContact O-N 2.82Å
164	A	29.2	Very low	36.4	Very low	102 Å²	102	111 Å²	111	84%	0.843	58%	0.584	S	S	*	*			trans	-50.2	122.9	-172.7	0	0	0	0	0	112.8
165	R	35.8	Very low	35.3	Very low	52 Å²	52	109.4 Å²	109.4	20%	0.196	58%	0.578	C	S	.	*			trans	-76.5	146.4	-166.7	-156.2	167.3	72.3	101.8	-18.2	114.6	C152 D155 Y163 I167	C152-R165 PolarHBondContact O-NH2 3.17Å; D155-R165 VanDerWaalsContact CG-CG 3.45Å; D155-R165 WeakPolarHBondContact OD1-CD 3.36Å; D155-R165 VanDerWaalsContact OD1-CG 3.31Å; D155-R165 WeakPolarHBondContact OD1-CG 3.41Å; D155-R165 IonicContact OD1-CZ 2.7Å; D155-R165 IonicContact OD1-NH1 3.9Å; D155-R165 PolarHBondContact OD1-NH1 3.09Å; D155-R165 WeakPolarHBondContact OD2-CG 3.32Å; Y163-R165 PolarHBondContact O-N 2.82Å; R165-I167 VanDerWaalsContact CZ-CG1 3.43Å
166	K	25.2	Very low	34.1	Very low	176 Å²	176	112.4 Å²	112.4	77%	0.765	60%	0.6	S	S	*	*			trans	-98.8	97.2	170.4	-83.6	178.8	176.1	174	0	110.6	S168	K166-S168 PolarHBondContact O-N 3.31Å
167	I	32.3	Very low	33.1	Very low	54 Å²	54	113.4 Å²	113.4	28%	0.277	60%	0.6	S	S	.	*			trans	-87.8	84.4	172.8	-51.1	178	0	0	0	109.4	R165 F171	R165-I167 VanDerWaalsContact CZ-CG1 3.43Å; I167-F171 HydrophobicContact CG2-CD2 4.31Å; I167-F171 HydrophobicContact CG2-CE2 3.77Å
168	S	29.6	Very low	32.4	Very low	83 Å²	83	116.2 Å²	116.2	58%	0.58	61%	0.608	S	S	*	*			trans	-99.8	-23.3	175.3	-49.7	0	0	0	0	113.9	K166	K166-S168 PolarHBondContact O-N 3.31Å
169	N	27.4	Very low	31.7	Very low	135 Å²	135	118.7 Å²	118.7	72%	0.722	62%	0.616	S	S	*	*	S	Bend	trans	-111	-3.9	-159.4	-66.7	-9.7	0	0	0	116.8	F171	N169-F171 VanDerWaalsContact C-N 3.25Å; N169-F171 PolarHBondContact O-N 3.15Å
170	L	31.1	Very low	31	Very low	79 Å²	79	124.8 Å²	124.8	41%	0.414	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	-2.6	175.3	-100.6	165.3	0	0	0	115	Q154	Q154-L170 HydrophobicContact CG-CD1 3.31Å; Q154-L170 HydrophobicContact CG-CG 3.58Å; Q154-L170 VanDerWaalsContact NE2-CG 3.27Å
171	F	36.7	Very low	31.1	Very low	54 Å²	54	123 Å²	123	24%	0.237	61%	0.607	C	S	.	*	T	Hydrogen-bonded Turn	trans	-122.9	17.4	-160.4	-64.9	-67.8	0	0	0	116.2	I167 N169 F173 V183 F209	I167-F171 HydrophobicContact CG2-CD2 4.31Å; I167-F171 HydrophobicContact CG2-CE2 3.77Å; N169-F171 VanDerWaalsContact C-N 3.25Å; N169-F171 PolarHBondContact O-N 3.15Å; F171-F173 PolarHBondContact O-N 3.41Å; F171-V183 HydrophobicContact CE1-CB 4.24Å; F171-V183 HydrophobicContact CE1-CG2 3.87Å; F171-V183 HydrophobicContact CE2-CB 4.19Å; F171-V183 HydrophobicContact CZ-CB 3.78Å; F171-V183 HydrophobicContact CZ-CG1 4.47Å; F171-V183 HydrophobicContact CZ-CG2 3.92Å; F171-F209 AromaticContact CE1-CE1 3.95Å; F171-F209 HydrophobicContact CE1-CE1 3.95Å; F171-F209 HydrophobicContact CE1-CZ 4.26Å
172	N	26.5	Very low	31.2	Very low	148 Å²	148	116.9 Å²	116.9	79%	0.791	59%	0.585	S	S	*	*			trans	-80.4	59.3	166.3	-82.5	-9.4	0	0	0	111.4	N174	N172-N174 PolarHBondContact O-N 3.16Å
173	F	30.9	Very low	31.5	Very low	98 Å²	98	111.9 Å²	111.9	43%	0.43	55%	0.554	S	S	.	*			trans	-72.3	105.9	157.2	-76.8	-81.8	0	0	0	107.1	F171 L175 P205 V208	F171-F173 PolarHBondContact O-N 3.41Å; F173-L175 PolarHBondContact O-N 2.89Å; F173-P205 HydrophobicContact CD1-CG 4.28Å; F173-P205 HydrophobicContact CE1-CG 3.88Å; F173-P205 HydrophobicContact CZ-CG 4.13Å; F173-V208 HydrophobicContact CZ-CB 4.48Å; F173-V208 HydrophobicContact CZ-CG1 4.19Å; F173-V208 HydrophobicContact CZ-CG2 4.27Å
174	N	26.8	Very low	31.8	Very low	158 Å²	158	103.2 Å²	103.2	85%	0.845	53%	0.525	S	S	*	.			trans	-67.3	72.5	166.8	-79.6	-30.8	0	0	0	108.7	N172	N172-N174 PolarHBondContact O-N 3.16Å
175	L	34.7	Very low	32.4	Very low	60 Å²	60	104.8 Å²	104.8	31%	0.314	51%	0.509	S	S	.	.			trans	-67	133.1	164.7	-80.7	161.3	0	0	0	108	F173 H177 I181 A203	F173-L175 PolarHBondContact O-N 2.89Å; L175-H177 PolarHBondContact O-N 3.41Å; L175-I181 HydrophobicContact CD1-CD1 4.38Å; L175-A203 HydrophobicContact CD1-CB 4.46Å; L175-A203 HydrophobicContact CD2-CB 4.04Å
176	P	28.4	Very low	32.1	Very low	114 Å²	114	106.1 Å²	106.1	74%	0.74	53%	0.526	S	S	*	.	S	Bend	trans	-56.8	113	177.4	-20.2	30.5	0	0	0	109.9
177	H	32	Very low	32.1	Very low	179 Å²	179	106.1 Å²	106.1	83%	0.829	53%	0.529	S	S	*	.	S	Bend	trans	55.5	105.1	164.5	-66.7	25.5	0	0	0	115.4	L175	L175-H177 PolarHBondContact O-N 3.41Å
178	H	36.3	Very low	31.9	Very low	187 Å²	187	108.8 Å²	108.8	87%	0.866	55%	0.551	S	S	*	*	S	Bend	trans	82.2	28.8	158	-82.7	-56.8	0	0	0	121.9
179	R	33.4	Very low	31.9	Very low	101 Å²	101	108.6 Å²	108.6	38%	0.381	55%	0.549	S	S	.	.			trans	-144.6	89	164.5	-64.2	-175.6	-179.3	174	5	113.6	V194 A198	R179-V194 HydrophobicContact CG-CG1 4.48Å; R179-V194 HydrophobicContact CG-CG2 4.14Å; R179-V194 VanDerWaalsContact NE-CG1 3.31Å; R179-A198 PolarHBondContact NH1-O 2.78Å; R179-A198 VanDerWaalsContact NH1-O 3.12Å
180	R	30.6	Very low	32	Very low	239 Å²	239	104.5 Å²	104.5	90%	0.902	53%	0.534	S	S	*	.			trans	-78.3	128.3	166	-68.8	-175.7	-162.5	157.8	5.1	109.2
181	I	36.5	Very low	32.2	Very low	36 Å²	36	103.5 Å²	103.5	19%	0.185	53%	0.529	C	S	.	.			trans	-98.9	129.2	176.2	-62.4	171.5	0	0	0	107.7	L175 V183 V199 F204	L175-I181 HydrophobicContact CD1-CD1 4.38Å; I181-V183 HydrophobicContact CG2-CG2 4.47Å; I181-V199 HydrophobicContact CD1-CG1 3.83Å; I181-V199 HydrophobicContact CG1-CG1 4.47Å; I181-F204 HydrophobicContact CD1-CD2 3.59Å; I181-F204 HydrophobicContact CD1-CE2 3.93Å; I181-F204 HydrophobicContact CG2-CE2 3.87Å
182	V	35.1	Very low	31.8	Very low	58 Å²	58	108.2 Å²	108.2	35%	0.352	55%	0.552	S	S	.	*			trans	-114.7	115.9	175.3	-176	0	0	0	0	109.1	S189	V182-S189 WeakPolarHBondContact CG1-O 3.25Å
183	V	34.8	Very low	32.2	Very low	20 Å²	20	106.8 Å²	106.8	12%	0.121	55%	0.553	C	S	.	*			trans	-95.9	118.8	168.5	-177.9	0	0	0	0	106.9	F171 I181 I231	F171-V183 HydrophobicContact CE1-CB 4.24Å; F171-V183 HydrophobicContact CE1-CG2 3.87Å; F171-V183 HydrophobicContact CE2-CB 4.19Å; F171-V183 HydrophobicContact CZ-CB 3.78Å; F171-V183 HydrophobicContact CZ-CG1 4.47Å; F171-V183 HydrophobicContact CZ-CG2 3.92Å; I181-V183 HydrophobicContact CG2-CG2 4.47Å; V183-I231 WeakPolarHBondContact CG1-O 3.4Å
184	C	35.3	Very low	32.2	Very low	34 Å²	34	104.1 Å²	104.1	23%	0.23	55%	0.545	C	S	.	.			trans	-117.9	127.1	-169	-175.8	0	0	0	0	110
185	R	40.5	Very low	32.4	Very low	135 Å²	135	105.1 Å²	105.1	51%	0.509	54%	0.542	S	S	.	.	S	Bend	trans	-91.5	-16.1	174.1	-159.8	173.4	-179.4	-174	-3.3	113.5	E149	E149-R185 IonicContact OE1-CZ 2.9Å; E149-R185 IonicContact OE1-NH1 3.12Å; E149-R185 PolarHBondContact OE1-NH1 3.34Å; E149-R185 IonicContact OE1-NH2 3.76Å
186	S	29.4	Very low	32.5	Very low	80 Å²	80	106.6 Å²	106.6	56%	0.559	55%	0.546	S	S	*	.	S	Bend	trans	-165.8	120.6	-178.2	55.8	0	0	0	0	111
187	H	26.9	Very low	32.7	Very low	176 Å²	176	108.9 Å²	108.9	82%	0.815	54%	0.54	S	S	*	.	S	Bend	trans	48.4	112.3	168.6	-71.6	-86.8	0	0	0	117.5
188	C	27.6	Very low	32.7	Very low	111 Å²	111	102.1 Å²	102.1	75%	0.75	52%	0.515	S	S	*	.			trans	76.7	103.3	154.9	-55.9	0	0	0	0	118.3
189	S	29.8	Very low	32.6	Very low	78 Å²	78	94.6 Å²	94.6	55%	0.545	48%	0.482	S	S	.	.				148.3	90.6	126.3	65.7	0	0	0	0	110.6	V182	V182-S189 WeakPolarHBondContact CG1-O 3.25Å
190	A	29.1	Very low	32.7	Very low	49 Å²	49	91.1 Å²	91.1	41%	0.405	47%	0.471	S	S	.	.				79.4	87.3	108.8	0	0	0	0	0	116
191	I	34.7	Very low	32.9	Very low	59 Å²	59	84.1 Å²	84.1	30%	0.303	46%	0.458	S	S	.	.			trans	-83.9	105.5	134.4	-62.7	173.2	0	0	0	105.4	S193	I191-S193 PolarHBondContact O-N 3.2Å
192	E	29.5	Very low	32.6	Very low	152 Å²	152	90 Å²	90	71%	0.71	49%	0.489	S	S	*	.			trans	-75.6	113.9	164.9	-100.1	178.4	175	0	0	108.1	V194	E192-V194 VanDerWaalsContact C-N 3.26Å; E192-V194 PolarHBondContact O-N 2.88Å
193	S	34.2	Very low	32.5	Very low	119 Å²	119	88.4 Å²	88.4	83%	0.832	48%	0.482	S	S	*	.			trans	27.4	53.4	156.3	63.9	0	0	0	0	116.7	I191	I191-S193 PolarHBondContact O-N 3.2Å
194	V	30.4	Very low	32.5	Very low	42 Å²	42	88.1 Å²	88.1	26%	0.255	48%	0.479	S	S	.	.			trans	-80.3	126.1	159.1	177.8	0	0	0	0	105.3	R179 E192 F196 V199	R179-V194 HydrophobicContact CG-CG1 4.48Å; R179-V194 HydrophobicContact CG-CG2 4.14Å; R179-V194 VanDerWaalsContact NE-CG1 3.31Å; E192-V194 VanDerWaalsContact C-N 3.26Å; E192-V194 PolarHBondContact O-N 2.88Å; V194-F196 PolarHBondContact O-N 3.44Å; V194-V199 HydrophobicContact CG1-CG2 3.85Å
195	K	31.5	Very low	32.7	Very low	178 Å²	178	88.1 Å²	88.1	77%	0.774	48%	0.479	S	S	*	.			trans	-47.6	107.9	169.5	-74.3	-179.8	177.6	178.1	0	107.6	R197 A198	K195-R197 PolarHBondContact O-N 2.88Å; K195-A198 PolarHBondContact O-N 2.83Å; K195-A198 VanDerWaalsContact O-N 3.11Å
196	F	37.4	Very low	32.6	Very low	92 Å²	92	84 Å²	84	40%	0.404	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-32.1	-173.4	-170.1	-110.4	0	0	0	113.7	V194 A198 L373 I377	V194-F196 PolarHBondContact O-N 3.44Å; F196-A198 VanDerWaalsContact C-N 3.26Å; F196-A198 PolarHBondContact O-N 3.5Å; F196-A198 VanDerWaalsContact O-N 3.16Å; F196-L373 HydrophobicContact CE1-CD1 3.9Å; F196-L373 HydrophobicContact CE1-CD2 3.6Å; F196-L373 HydrophobicContact CE1-CG 3.89Å; F196-L373 HydrophobicContact CE2-CD2 4.05Å; F196-L373 HydrophobicContact CZ-CD1 3.94Å; F196-L373 HydrophobicContact CZ-CD2 3.13Å; F196-L373 HydrophobicContact CZ-CG 3.9Å; F196-I377 HydrophobicContact CD1-CD1 4.01Å; F196-I377 HydrophobicContact CE1-CD1 3.91Å
197	R	32	Very low	33.1	Very low	162 Å²	162	85.9 Å²	85.9	61%	0.611	47%	0.468	S	S	*	.	H	α-helix	trans	-45.3	-38.9	176.1	-129.1	178.2	-176.6	179.3	-4.3	115.4	K195 E381	K195-R197 PolarHBondContact O-N 2.88Å; R197-E381 IonicContact CZ-OE1 3.43Å; R197-E381 IonicContact NE-OE1 2.76Å; R197-E381 PolarHBondContact NE-OE1 3.36Å; R197-E381 IonicContact NH2-OE1 2.91Å; R197-E381 PolarHBondContact NH2-OE1 2.99Å; R197-E381 IonicContact NH2-OE2 2.77Å; R197-E381 PolarHBondContact NH2-OE2 3.47Å
198	A	31.1	Very low	34.1	Very low	36 Å²	36	80.9 Å²	80.9	30%	0.298	45%	0.45	S	S	.	.	H	α-helix	trans	-109.5	10.7	-163.5	0	0	0	0	0	114.7	R179 K195 F196	R179-A198 PolarHBondContact NH1-O 2.78Å; R179-A198 VanDerWaalsContact NH1-O 3.12Å; K195-A198 PolarHBondContact O-N 2.83Å; K195-A198 VanDerWaalsContact O-N 3.11Å; F196-A198 VanDerWaalsContact C-N 3.26Å; F196-A198 PolarHBondContact O-N 3.5Å; F196-A198 VanDerWaalsContact O-N 3.16Å
199	V	35.2	Very low	35.2	Very low	29 Å²	29	77.2 Å²	77.2	18%	0.176	42%	0.422	C	S	.	.	H	α-helix	trans	-98.1	-42.2	172.3	177	0	0	0	0	110.9	I181 V194 F204	I181-V199 HydrophobicContact CD1-CG1 3.83Å; I181-V199 HydrophobicContact CG1-CG1 4.47Å; V194-V199 HydrophobicContact CG1-CG2 3.85Å; V199-F204 HydrophobicContact CG1-CB 4.33Å; V199-F204 HydrophobicContact CG1-CD2 3.76Å; V199-F204 VanDerWaalsContact O-CB 3.27Å; V199-F204 WeakPolarHBondContact O-CB 3.47Å; V199-F204 PolarHBondContact O-N 3.23Å; V199-F204 VanDerWaalsContact O-N 3.09Å
200	L	35.5	Very low	37.1	Very low	28 Å²	28	76.1 Å²	76.1	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-80.6	-26.7	-173.4	-67.1	173.4	0	0	0	114.8	T311 L373	L200-T311 HydrophobicContact CD1-CG2 4.32Å; L200-T311 HydrophobicContact CD2-CG2 3.53Å; L200-L373 HydrophobicContact CD1-CD2 3.44Å; L200-L373 VanDerWaalsContact CD1-CD2 3.44Å; L200-L373 HydrophobicContact CD1-CG 4.05Å
201	C	34	Very low	39.5	Very low	93 Å²	93	75.6 Å²	75.6	63%	0.628	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-43.1	-174.9	-64.9	0	0	0	0	113.1
202	D	31.4	Very low	41.9	Very low	159 Å²	159	72.8 Å²	72.8	85%	0.85	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-12.7	-170	-59.2	-38	0	0	0	115.7
203	A	32.7	Very low	44.5	Very low	25 Å²	25	65.7 Å²	65.7	21%	0.207	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-3.9	-165.5	0	0	0	0	0	115.9	L175 P205	L175-A203 HydrophobicContact CD1-CB 4.46Å; L175-A203 HydrophobicContact CD2-CB 4.04Å; A203-P205 VanDerWaalsContact O-CD 3.26Å; A203-P205 WeakPolarHBondContact O-CD 3.26Å
204	F	35.6	Very low	46.9	Very low	14 Å²	14	60.9 Å²	60.9	6%	0.061	32%	0.315	C	S	.	.			trans	-103.1	100.6	176.4	-155.2	-83.5	0	0	0	107.8	I181 V199 T206 F209 L213	I181-F204 HydrophobicContact CD1-CD2 3.59Å; I181-F204 HydrophobicContact CD1-CE2 3.93Å; I181-F204 HydrophobicContact CG2-CE2 3.87Å; V199-F204 HydrophobicContact CG1-CB 4.33Å; V199-F204 HydrophobicContact CG1-CD2 3.76Å; V199-F204 VanDerWaalsContact O-CB 3.27Å; V199-F204 WeakPolarHBondContact O-CB 3.47Å; V199-F204 PolarHBondContact O-N 3.23Å; V199-F204 VanDerWaalsContact O-N 3.09Å; F204-T206 HydrophobicContact CD1-CG2 3.52Å; F204-T206 HydrophobicContact CE1-CG2 4.15Å; F204-T206 HydrophobicContact CG-CG2 4.47Å; F204-T206 PolarHBondContact O-N 2.85Å; F204-F209 HydrophobicContact CD1-CD2 4.13Å; F204-F209 AromaticContact CD1-CE2 3.64Å; F204-F209 HydrophobicContact CD1-CE2 3.64Å; F204-F209 HydrophobicContact CD1-CZ 4.35Å; F204-F209 AromaticContact CE1-CD2 3.55Å; F204-F209 HydrophobicContact CE1-CD2 3.55Å; F204-F209 HydrophobicContact CE1-CE1 4.26Å; F204-F209 AromaticContact CE1-CE2 3.07Å; F204-F209 HydrophobicContact CE1-CE2 3.07Å; F204-F209 HydrophobicContact CE1-CG 4.3Å; F204-F209 AromaticContact CE1-CZ 3.48Å; F204-F209 HydrophobicContact CE1-CZ 3.48Å; F204-F209 VanDerWaalsContact CE1-CZ 3.48Å; F204-F209 HydrophobicContact CE2-CZ 4.42Å; F204-F209 HydrophobicContact CZ-CD2 4.4Å; F204-F209 HydrophobicContact CZ-CE1 4.19Å; F204-F209 AromaticContact CZ-CE2 3.63Å; F204-F209 HydrophobicContact CZ-CE2 3.63Å; F204-F209 AromaticContact CZ-CZ 3.49Å; F204-F209 HydrophobicContact CZ-CZ 3.49Å; F204-F209 VanDerWaalsContact CZ-CZ 3.49Å; F204-L213 HydrophobicContact CE1-CD1 3.7Å; F204-L213 HydrophobicContact CZ-CD1 3.86Å
205	P	38.5	Very low	49.4	Very low	33 Å²	33	59 Å²	59	21%	0.214	30%	0.303	C	S	.	.			trans	-70.4	75	174.1	29.8	-33.9	0	0	0	108.8	F173 A203 H207 V208 F209	F173-P205 HydrophobicContact CD1-CG 4.28Å; F173-P205 HydrophobicContact CE1-CG 3.88Å; F173-P205 HydrophobicContact CZ-CG 4.13Å; A203-P205 VanDerWaalsContact O-CD 3.26Å; A203-P205 WeakPolarHBondContact O-CD 3.26Å; P205-H207 WeakPolarHBondContact CB-CE1 3.46Å; P205-H207 PolarHBondContact O-N 2.94Å; P205-H207 VanDerWaalsContact O-N 3.14Å; P205-V208 HydrophobicContact CB-CG2 3.97Å; P205-V208 HydrophobicContact CG-CG2 4.29Å; P205-V208 WeakPolarHBondContact O-CB 3.24Å; P205-V208 PolarHBondContact O-N 2.84Å; P205-F209 WeakPolarHBondContact O-CD2 3.34Å
206	T	37.4	Very low	51.9	Low	48 Å²	48	51.7 Å²	51.7	29%	0.294	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-52.1	-31.8	175.8	38.6	0	0	0	0	111.3	F204 V208 F209 H312	F204-T206 HydrophobicContact CD1-CG2 3.52Å; F204-T206 HydrophobicContact CE1-CG2 4.15Å; F204-T206 HydrophobicContact CG-CG2 4.47Å; F204-T206 PolarHBondContact O-N 2.85Å; T206-V208 PolarHBondContact O-N 3.04Å; T206-V208 VanDerWaalsContact O-N 3.11Å; T206-F209 WeakPolarHBondContact O-CB 3.43Å; T206-F209 PolarHBondContact O-N 3.3Å; T206-H312 WeakPolarHBondContact CB-CD2 3.1Å; T206-H312 HydrophobicContact CG2-CB 4.28Å; T206-H312 PolarHBondContact O-CE1 3.37Å; T206-H312 PolarHBondContact O-NE2 3.04Å; T206-H312 VanDerWaalsContact O-NE2 3.1Å
207	H	41.5	Very low	54.2	Low	120 Å²	120	51.2 Å²	51.2	56%	0.556	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22	176	63.2	-96.4	0	0	0	114.6	P205	P205-H207 WeakPolarHBondContact CB-CE1 3.46Å; P205-H207 PolarHBondContact O-N 2.94Å; P205-H207 VanDerWaalsContact O-N 3.14Å
208	V	46.3	Very low	56.8	Low	71 Å²	71	44.5 Å²	44.5	43%	0.43	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-80.5	-21.3	175.9	-175.4	0	0	0	0	111.7	F173 P205 T206 E210	F173-V208 HydrophobicContact CZ-CB 4.48Å; F173-V208 HydrophobicContact CZ-CG1 4.19Å; F173-V208 HydrophobicContact CZ-CG2 4.27Å; P205-V208 HydrophobicContact CB-CG2 3.97Å; P205-V208 HydrophobicContact CG-CG2 4.29Å; P205-V208 WeakPolarHBondContact O-CB 3.24Å; P205-V208 PolarHBondContact O-N 2.84Å; T206-V208 PolarHBondContact O-N 3.04Å; T206-V208 VanDerWaalsContact O-N 3.11Å; V208-E210 PolarHBondContact O-N 2.9Å
209	F	50.8	Low	59.6	Low	35 Å²	35	43.6 Å²	43.6	15%	0.154	24%	0.239	C	C	.	.			trans	-81.2	112.2	-174	-68.8	-90.5	0	0	0	110.7	F171 F204 P205 T206 Q211 L213 H312	F171-F209 AromaticContact CE1-CE1 3.95Å; F171-F209 HydrophobicContact CE1-CE1 3.95Å; F171-F209 HydrophobicContact CE1-CZ 4.26Å; F204-F209 HydrophobicContact CD1-CD2 4.13Å; F204-F209 AromaticContact CD1-CE2 3.64Å; F204-F209 HydrophobicContact CD1-CE2 3.64Å; F204-F209 HydrophobicContact CD1-CZ 4.35Å; F204-F209 AromaticContact CE1-CD2 3.55Å; F204-F209 HydrophobicContact CE1-CD2 3.55Å; F204-F209 HydrophobicContact CE1-CE1 4.26Å; F204-F209 AromaticContact CE1-CE2 3.07Å; F204-F209 HydrophobicContact CE1-CE2 3.07Å; F204-F209 HydrophobicContact CE1-CG 4.3Å; F204-F209 AromaticContact CE1-CZ 3.48Å; F204-F209 HydrophobicContact CE1-CZ 3.48Å; F204-F209 VanDerWaalsContact CE1-CZ 3.48Å; F204-F209 HydrophobicContact CE2-CZ 4.42Å; F204-F209 HydrophobicContact CZ-CD2 4.4Å; F204-F209 HydrophobicContact CZ-CE1 4.19Å; F204-F209 AromaticContact CZ-CE2 3.63Å; F204-F209 HydrophobicContact CZ-CE2 3.63Å; F204-F209 AromaticContact CZ-CZ 3.49Å; F204-F209 HydrophobicContact CZ-CZ 3.49Å; F204-F209 VanDerWaalsContact CZ-CZ 3.49Å; P205-F209 WeakPolarHBondContact O-CD2 3.34Å; T206-F209 WeakPolarHBondContact O-CB 3.43Å; T206-F209 PolarHBondContact O-N 3.3Å; F209-Q211 PolarHBondContact O-N 3.28Å; F209-L213 HydrophobicContact CB-CD1 4.31Å; F209-L213 HydrophobicContact CD1-CD1 3.81Å; F209-L213 HydrophobicContact CD1-CD2 4.2Å; F209-L213 HydrophobicContact CD1-CG 4.45Å; F209-L213 HydrophobicContact CD2-CD1 4.41Å; F209-L213 HydrophobicContact CE1-CD1 4.19Å; F209-L213 HydrophobicContact CG-CD1 3.9Å; F209-H312 PolarHBondContact O-CE1 2.7Å
210	E	70.5	Confident	62.2	Low	54 Å²	54	42.3 Å²	42.3	25%	0.252	23%	0.231	S	C	.	.			trans	-85.8	15.1	179.6	-74.4	-175.7	163	0	0	112.5	L76 R79 V208 Y316	L76-E210 HydrophobicContact CD1-CB 3.57Å; L76-E210 HydrophobicContact CD1-CG 4.09Å; L76-E210 WeakPolarHBondContact CD1-O 3.38Å; L76-E210 HydrophobicContact CG-CB 3.96Å; L76-E210 HydrophobicContact CG-CG 4.09Å; L76-E210 WeakPolarHBondContact CG-OE2 3.48Å; R79-E210 WeakPolarHBondContact CD-OE1 3.38Å; R79-E210 IonicContact NH1-OE1 3.69Å; V208-E210 PolarHBondContact O-N 2.9Å; E210-Y316 WeakPolarHBondContact O-CE1 3.49Å; E210-Y316 PolarHBondContact O-OH 3.46Å
211	Q	79.4	Confident	64.7	Low	38 Å²	38	45.1 Å²	45.1	18%	0.178	25%	0.246	C	C	.	.	S	Bend	trans	-140	161.5	179.9	-66.1	-175.7	-49.7	0	0	111.8	F209 P233 H312	F209-Q211 PolarHBondContact O-N 3.28Å; Q211-P233 HydrophobicContact CB-CB 4.17Å; Q211-P233 VanDerWaalsContact OE1-CB 3.28Å; Q211-H312 PolarHBondContact O-ND1 2.89Å; Q211-H312 VanDerWaalsContact O-ND1 3.17Å
212	I	85.2	Confident	67.1	Low	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.6	173.3	-56.4	166.1	0	0	0	107.2	V214 P233 E234 L237 I310 P314 L317	I212-V214 HydrophobicContact CG2-CG2 4.27Å; I212-P233 CarbonylContact O-C 3.58Å; I212-P233 VanDerWaalsContact O-CA 3.3Å; I212-P233 WeakPolarHBondContact O-CA 3.23Å; I212-E234 HydrophobicContact CB-CB 4.32Å; I212-E234 WeakPolarHBondContact CB-O 3.33Å; I212-E234 PolarHBondContact N-O 3.1Å; I212-E234 VanDerWaalsContact N-O 3.12Å; I212-E234 PolarHBondContact O-N 3.03Å; I212-L237 HydrophobicContact CD1-CB 4.15Å; I212-I310 HydrophobicContact CG2-CG2 4.34Å; I212-P314 HydrophobicContact CG1-CG 4.2Å; I212-L317 HydrophobicContact CD1-CD1 3.72Å; I212-L317 HydrophobicContact CG1-CD1 4.18Å
213	L	83.5	Confident	69.8	Low	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.3	175.2	-56.4	-179.9	0	0	0	109.9	F204 F209 I231 P233 T311 H312	F204-L213 HydrophobicContact CE1-CD1 3.7Å; F204-L213 HydrophobicContact CZ-CD1 3.86Å; F209-L213 HydrophobicContact CB-CD1 4.31Å; F209-L213 HydrophobicContact CD1-CD1 3.81Å; F209-L213 HydrophobicContact CD1-CD2 4.2Å; F209-L213 HydrophobicContact CD1-CG 4.45Å; F209-L213 HydrophobicContact CD2-CD1 4.41Å; F209-L213 HydrophobicContact CE1-CD1 4.19Å; F209-L213 HydrophobicContact CG-CD1 3.9Å; L213-I231 HydrophobicContact CB-CG2 3.94Å; L213-I231 HydrophobicContact CD1-CG2 4.41Å; L213-I231 HydrophobicContact CD2-CG2 4.4Å; L213-I231 HydrophobicContact CG-CG2 4.49Å; L213-P233 HydrophobicContact CD2-CB 4.06Å; L213-T311 PolarHBondContact O-N 2.8Å; L213-H312 HydrophobicContact CB-CB 3.85Å; L213-H312 HydrophobicContact CD1-CB 3.87Å; L213-H312 HydrophobicContact CG-CB 3.87Å; L213-H312 PolarHBondContact N-O 2.75Å; L213-H312 PolarHBondContact O-N 2.99Å
214	V	84.8	Confident	72.3	Confident	18 Å²	18	45.7 Å²	45.7	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.1	175.9	-178.3	0	0	0	0	108.9	I212 I231 Q232 E234 W309	I212-V214 HydrophobicContact CG2-CG2 4.27Å; V214-I231 WeakPolarHBondContact O-CA 3.03Å; V214-Q232 PolarHBondContact N-O 2.84Å; V214-Q232 PolarHBondContact O-N 2.85Å; V214-E234 HydrophobicContact CB-CG 4.43Å; V214-E234 HydrophobicContact CG2-CG 3.81Å; V214-W309 WeakPolarHBondContact CA-O 3.19Å
215	S	82.6	Confident	74.7	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.3	170.6	-78.3	0	0	0	0	109.8	V230 Q308 W309 T311	S215-V230 CarbonylContact C-O 3.56Å; S215-V230 WeakPolarHBondContact CA-O 3.36Å; S215-Q308 CarbonylContact O-C 3.54Å; S215-Q308 VanDerWaalsContact O-CA 3.3Å; S215-Q308 WeakPolarHBondContact O-CA 3.25Å; S215-W309 PolarHBondContact N-O 3.07Å; S215-W309 PolarHBondContact O-N 2.77Å; S215-T311 VanDerWaalsContact CB-OG1 3.23Å; S215-T311 WeakPolarHBondContact CB-OG1 3.18Å; S215-T311 PolarHBondContact OG-OG1 3.19Å
216	S	84.7	Confident	77	Confident	26 Å²	26	52.4 Å²	52.4	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.8	173.2	66.6	0	0	0	0	111.8	V229 V230 E307	S216-V229 WeakPolarHBondContact O-CA 3.49Å; S216-V230 PolarHBondContact N-O 3.4Å; S216-V230 PolarHBondContact O-N 3.39Å; S216-E307 CarbonylContact C-O 3.36Å; S216-E307 VanDerWaalsContact CA-O 3.27Å; S216-E307 WeakPolarHBondContact CA-O 3.38Å
217	R	85.3	Confident	79.2	Confident	81 Å²	81	51.2 Å²	51.2	31%	0.306	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.6	175.1	-176.6	176.5	68.3	-179.2	-1.2	109.5	T219 V229 R306 E307 W309	R217-T219 HydrophobicContact CG-CG2 4.29Å; R217-V229 HydrophobicContact CB-CG2 4.48Å; R217-R306 WeakPolarHBondContact O-CA 3.05Å; R217-E307 IonicContact CZ-OE2 2.7Å; R217-E307 PolarHBondContact N-O 2.84Å; R217-E307 IonicContact NE-OE2 2.72Å; R217-E307 PolarHBondContact NE-OE2 2.76Å; R217-E307 IonicContact NH2-OE2 3.21Å; R217-E307 PolarHBondContact NH2-OE2 3.38Å; R217-E307 PolarHBondContact O-N 3.47Å; R217-W309 HydrophobicContact CB-CH2 3.92Å; R217-W309 HydrophobicContact CB-CZ3 3.78Å
218	V	87.6	Confident	81	Confident	22 Å²	22	50.7 Å²	50.7	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.3	170.8	-178.9	0	0	0	0	109.2	H226 S227 I282 M285 C304 Q305	V218-H226 CarbonylContact O-C 3.56Å; V218-H226 WeakPolarHBondContact O-CA 3.41Å; V218-S227 PolarHBondContact N-OG 3.16Å; V218-S227 PolarHBondContact O-N 2.85Å; V218-I282 HydrophobicContact CB-CD1 4.35Å; V218-I282 HydrophobicContact CG1-CD1 3.75Å; V218-I282 HydrophobicContact CG2-CD1 3.71Å; V218-M285 HydrophobicContact CB-CE 4.36Å; V218-M285 HydrophobicContact CG1-CE 3.78Å; V218-M285 HydrophobicContact CG1-SD 3.73Å; V218-M285 HydrophobicContact CG2-CE 4.35Å; V218-M285 HydrophobicContact CG2-SD 4.39Å; V218-C304 HydrophobicContact CG1-CB 4.12Å; V218-Q305 CarbonylContact C-O 3.56Å; V218-Q305 WeakPolarHBondContact CA-O 3.47Å
219	T	88.9	Confident	82.6	Confident	17 Å²	17	49.2 Å²	49.2	10%	0.104	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.7	173.7	55.8	0	0	0	0	110.1	R217 Y225 H226 C304 Q305 E307	R217-T219 HydrophobicContact CG-CG2 4.29Å; T219-Y225 CarbonylContact C-O 3.51Å; T219-Y225 VanDerWaalsContact CA-O 3.31Å; T219-Y225 WeakPolarHBondContact CA-O 3.41Å; T219-H226 HydrophobicContact CG2-CB 4.32Å; T219-C304 CarbonylContact O-C 3.58Å; T219-C304 WeakPolarHBondContact O-CA 3.27Å; T219-Q305 PolarHBondContact N-O 2.87Å; T219-Q305 PolarHBondContact O-N 2.85Å; T219-Q305 WeakPolarHBondContact OG1-CG 3.31Å; T219-Q305 PolarHBondContact OG1-NE2 2.87Å; T219-E307 WeakPolarHBondContact CG2-OE1 3.24Å; T219-E307 PolarHBondContact OG1-OE1 2.81Å
220	C	89.2	Confident	83.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119	175	179.7	0	0	0	0	109.6	Y222 N224 Y225 C287	C220-Y222 PolarHBondContact O-N 2.9Å; C220-N224 VanDerWaalsContact O-CA 3.31Å; C220-N224 WeakPolarHBondContact O-CA 3.34Å; C220-N224 PolarHBondContact O-N 2.85Å; C220-Y225 PolarHBondContact N-O 2.67Å; C220-C287 HydrophobicContact CB-CB 4.38Å
221	N	88.1	Confident	84.3	Confident	87 Å²	87	48.9 Å²	48.9	47%	0.465	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.3	-178	-67.9	-19.6	0	0	0	113.7	Y303 Q305	N221-Y303 PolarHBondContact N-O 3.39Å; N221-Q305 PolarHBondContact ND2-OE1 2.92Å; N221-Q305 PolarHBondContact OD1-NE2 2.95Å; N221-Q305 PolarHBondContact OD1-OE1 3.16Å
222	Y	85.8	Confident	84.2	Confident	128 Å²	128	50.6 Å²	50.6	50%	0.502	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-50.4	-179.5	-176.3	-100.5	0	0	0	112.8	C220 C299	C220-Y222 PolarHBondContact O-N 2.9Å; Y222-C299 HydrophobicContact CD1-CB 4.27Å; Y222-C299 HydrophobicContact CE1-CB 4.36Å
223	C	87.5	Confident	84.1	Confident	29 Å²	29	51.9 Å²	51.9	20%	0.196	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	6	-172.9	71.1	0	0	0	0	114.6	Y225 K289 C290	C223-Y225 PolarHBondContact O-N 2.76Å; C223-Y225 VanDerWaalsContact O-N 3.1Å; C223-Y225 WeakPolarHBondContact SG-CB 3.28Å; C223-K289 HydrophobicContact CB-CD 4.48Å; C223-C290 PolarHBondContact SG-SG 3.08Å
224	N	85.8	Confident	84.1	Confident	133 Å²	133	54.7 Å²	54.7	71%	0.711	27%	0.272	S	S	*	.			trans	53.1	26.4	-173.1	-66.9	-30.4	0	0	0	113.8	C220	C220-N224 VanDerWaalsContact O-CA 3.31Å; C220-N224 WeakPolarHBondContact O-CA 3.34Å; C220-N224 PolarHBondContact O-N 2.85Å
225	Y	85.5	Confident	84.1	Confident	66 Å²	66	54.7 Å²	54.7	26%	0.259	27%	0.274	S	S	.	.			trans	-64.7	139	169.8	169.8	-96.3	0	0	0	109.6	T219 C220 C223 P288 K289	T219-Y225 CarbonylContact C-O 3.51Å; T219-Y225 VanDerWaalsContact CA-O 3.31Å; T219-Y225 WeakPolarHBondContact CA-O 3.41Å; C220-Y225 PolarHBondContact N-O 2.67Å; C223-Y225 PolarHBondContact O-N 2.76Å; C223-Y225 VanDerWaalsContact O-N 3.1Å; C223-Y225 WeakPolarHBondContact SG-CB 3.28Å; Y225-P288 HydrophobicContact CE1-CG 4.26Å; Y225-K289 HydrophobicContact CD2-CB 3.86Å; Y225-K289 HydrophobicContact CD2-CD 4.44Å; Y225-K289 HydrophobicContact CG-CB 4.12Å
226	H	86.2	Confident	84.6	Confident	122 Å²	122	54.9 Å²	54.9	57%	0.565	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-126.2	132.8	171.1	49.6	-87.6	0	0	0	108.8	V218 T219	V218-H226 CarbonylContact O-C 3.56Å; V218-H226 WeakPolarHBondContact O-CA 3.41Å; T219-H226 HydrophobicContact CG2-CB 4.32Å
227	S	83.9	Confident	85	Confident	22 Å²	22	54.3 Å²	54.3	15%	0.154	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-70.8	169.6	170.5	75.6	0	0	0	0	110.5	V218	V218-S227 PolarHBondContact N-OG 3.16Å; V218-S227 PolarHBondContact O-N 2.85Å
228	K	78.6	Confident	85.3	Confident	109 Å²	109	52.3 Å²	52.3	47%	0.474	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-61.1	149.2	162.9	-60.1	-174.7	-179.8	-176.7	0	109.2
229	V	81.2	Confident	85.7	Confident	41 Å²	41	51.2 Å²	51.2	25%	0.248	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-73.3	127.9	171	179.3	0	0	0	0	108	S216 R217 I231	S216-V229 WeakPolarHBondContact O-CA 3.49Å; R217-V229 HydrophobicContact CB-CG2 4.48Å; V229-I231 HydrophobicContact CG1-CG1 4.48Å
230	V	78.3	Confident	85.8	Confident	63 Å²	63	56 Å²	56	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.3	175.4	-179.8	0	0	0	0	107.7	S215 S216	S215-V230 CarbonylContact C-O 3.56Å; S215-V230 WeakPolarHBondContact CA-O 3.36Å; S216-V230 PolarHBondContact N-O 3.4Å; S216-V230 PolarHBondContact O-N 3.39Å
231	I	78.4	Confident	85.8	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.092	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.4	174.9	-53.8	-178.7	0	0	0	107.5	V183 L213 V214 V229	V183-I231 WeakPolarHBondContact CG1-O 3.4Å; L213-I231 HydrophobicContact CB-CG2 3.94Å; L213-I231 HydrophobicContact CD1-CG2 4.41Å; L213-I231 HydrophobicContact CD2-CG2 4.4Å; L213-I231 HydrophobicContact CG-CG2 4.49Å; V214-I231 WeakPolarHBondContact O-CA 3.03Å; V229-I231 HydrophobicContact CG1-CG1 4.48Å
232	Q	77.6	Confident	85.5	Confident	75 Å²	75	57.9 Å²	57.9	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.1	179.2	-178.7	167.1	-31.6	0	0	110	V214 E234	V214-Q232 PolarHBondContact N-O 2.84Å; V214-Q232 PolarHBondContact O-N 2.85Å; Q232-E234 VanDerWaalsContact CD-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.49Å; Q232-E234 PolarHBondContact NE2-OE1 3.11Å
233	P	82	Confident	84.9	Confident	27 Å²	27	56.3 Å²	56.3	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.4	169.5	30.3	-32	0	0	0	110.8	Q211 I212 L213	Q211-P233 HydrophobicContact CB-CB 4.17Å; Q211-P233 VanDerWaalsContact OE1-CB 3.28Å; I212-P233 CarbonylContact O-C 3.58Å; I212-P233 VanDerWaalsContact O-CA 3.3Å; I212-P233 WeakPolarHBondContact O-CA 3.23Å; L213-P233 HydrophobicContact CD2-CB 4.06Å
234	E	83.7	Confident	83.8	Confident	62 Å²	62	59.5 Å²	59.5	29%	0.29	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.9	176.9	-63.6	-62.1	162.7	0	0	109.9	I212 V214 Q232	I212-E234 HydrophobicContact CB-CB 4.32Å; I212-E234 WeakPolarHBondContact CB-O 3.33Å; I212-E234 PolarHBondContact N-O 3.1Å; I212-E234 VanDerWaalsContact N-O 3.12Å; I212-E234 PolarHBondContact O-N 3.03Å; V214-E234 HydrophobicContact CB-CG 4.43Å; V214-E234 HydrophobicContact CG2-CG 3.81Å; Q232-E234 VanDerWaalsContact CD-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.49Å; Q232-E234 PolarHBondContact NE2-OE1 3.11Å
235	A	85.6	Confident	82.6	Confident	18 Å²	18	56.3 Å²	56.3	15%	0.149	30%	0.3	C	S	.	.	S	Bend	trans	-73.1	-37.1	172.9	0	0	0	0	0	111.3	F144 M148	F144-A235 HydrophobicContact CD1-CB 4.36Å; F144-A235 HydrophobicContact CE1-CB 4.07Å; M148-A235 HydrophobicContact CB-CB 3.9Å; M148-A235 HydrophobicContact CG-CB 4.07Å
236	C	91.8	Very high	81.1	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.041	32%	0.321	C	S	.	.	S	Bend	trans	-133	144.6	179.8	-62.1	0	0	0	0	110.5	F144 V318	F144-C236 WeakPolarHBondContact CD1-SG 3.39Å; F144-C236 WeakPolarHBondContact CE1-SG 3.46Å; C236-V318 CarbonylContact C-O 3.57Å; C236-V318 WeakPolarHBondContact CA-O 3.21Å; C236-V318 HydrophobicContact CB-CB 4.45Å; C236-V318 HydrophobicContact CB-CG1 4.43Å; C236-V318 WeakPolarHBondContact SG-CG1 3.46Å
237	L	93.1	Very high	79.1	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116.6	166	-176.4	66.8	0	0	0	109.2	I212 I239 L272 I310 V318 L319 Y320 M368	I212-L237 HydrophobicContact CD1-CB 4.15Å; L237-I239 HydrophobicContact CD2-CD1 4.15Å; L237-I239 HydrophobicContact CG-CD1 4.18Å; L237-L272 HydrophobicContact CD2-CD2 3.73Å; L237-I310 HydrophobicContact CD1-CD1 4.29Å; L237-I310 HydrophobicContact CD2-CD1 3.65Å; L237-V318 PolarHBondContact N-O 3.48Å; L237-L319 HydrophobicContact CB-CD2 3.78Å; L237-L319 HydrophobicContact CD2-CD2 3.99Å; L237-L319 HydrophobicContact CG-CD2 4.39Å; L237-L319 WeakPolarHBondContact O-CA 3.4Å; L237-Y320 PolarHBondContact O-N 2.95Å; L237-M368 HydrophobicContact CD2-CE 4.33Å
238	T	93.5	Very high	77.2	Confident	38 Å²	38	65.8 Å²	65.8	23%	0.233	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.6	175.8	-58.3	0	0	0	0	110.2	F240 Q275 Y320 Q322	T238-F240 HydrophobicContact CG2-CE1 4Å; T238-F240 HydrophobicContact CG2-CE2 4.01Å; T238-F240 HydrophobicContact CG2-CZ 3.71Å; T238-Q275 PolarHBondContact O-NE2 3.45Å; T238-Q275 PolarHBondContact O-OE1 2.99Å; T238-Y320 CarbonylContact C-O 3.46Å; T238-Y320 WeakPolarHBondContact CA-O 3.45Å; T238-Y320 HydrophobicContact CG2-CD1 3.94Å; T238-Y320 HydrophobicContact CG2-CE1 4.4Å; T238-Q322 HydrophobicContact CG2-CB 4.02Å
239	I	94.1	Very high	75.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.3	178.7	-52.5	-58.2	0	0	0	108.6	L237 L268 C271 L272 L319 Y320 I321 Q322	L237-I239 HydrophobicContact CD2-CD1 4.15Å; L237-I239 HydrophobicContact CG-CD1 4.18Å; I239-L268 HydrophobicContact CG1-CD1 4.14Å; I239-L268 HydrophobicContact CG2-CD1 4.07Å; I239-C271 HydrophobicContact CG2-CB 3.65Å; I239-L272 HydrophobicContact CD1-CD2 3.42Å; I239-L272 VanDerWaalsContact CD1-CD2 3.42Å; I239-L272 HydrophobicContact CD1-CG 4.09Å; I239-L319 HydrophobicContact CG1-CB 4.18Å; I239-Y320 PolarHBondContact N-O 3.23Å; I239-I321 HydrophobicContact CB-CG1 4.49Å; I239-Q322 WeakPolarHBondContact O-CB 3.19Å; I239-Q322 PolarHBondContact O-N 2.57Å
240	F	91.4	Very high	73	Confident	118 Å²	118	71.5 Å²	71.5	52%	0.518	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.4	176.7	-62	-78.7	0	0	0	111	T238 Q275 Q322	T238-F240 HydrophobicContact CG2-CE1 4Å; T238-F240 HydrophobicContact CG2-CE2 4.01Å; T238-F240 HydrophobicContact CG2-CZ 3.71Å; F240-Q275 HydrophobicContact CD2-CG 4.48Å; F240-Q322 HydrophobicContact CD1-CB 4.11Å; F240-Q322 HydrophobicContact CD1-CG 4.13Å; F240-Q322 HydrophobicContact CE1-CB 4.33Å; F240-Q322 HydrophobicContact CE1-CG 4.15Å
241	L	90	Very high	71.1	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.089	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-78.6	140.3	176.1	-57.9	-178.2	0	0	0	110.6	I266 I321 R356 V360	L241-I266 HydrophobicContact CD2-CG2 4.24Å; L241-I321 HydrophobicContact CD1-CG2 3.97Å; L241-I321 HydrophobicContact CD2-CG2 3.79Å; L241-I321 HydrophobicContact CG-CG2 3.95Å; L241-R356 HydrophobicContact CD1-CB 4.41Å; L241-V360 HydrophobicContact CD1-CG2 4.36Å; L241-V360 HydrophobicContact CD2-CG2 3.67Å
242	R	80.5	Confident	69	Low	110 Å²	110	83.8 Å²	83.8	42%	0.415	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-65.7	142.8	175.4	-66.2	-176.5	-173.2	147.3	7.7	111	E270 R356	R242-E270 IonicContact CZ-OE2 3.76Å; R242-E270 IonicContact NH1-OE2 2.73Å; R242-E270 PolarHBondContact NH1-OE2 2.69Å; R242-E270 PolarHBondContact NH2-O 3.33Å; R242-E270 IonicContact NH2-OE2 3.88Å; R242-R356 PolarHBondContact O-NH1 3.05Å; R242-R356 PolarHBondContact O-NH2 3.44Å
243	N	74.3	Confident	66.9	Low	94 Å²	94	82.9 Å²	82.9	50%	0.503	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-69.6	137	173.7	-72.4	-9.9	0	0	0	110.1	G245 T246	N243-G245 PolarHBondContact O-N 3.43Å; N243-T246 PolarHBondContact O-N 3.22Å
244	P	64.5	Low	64.5	Low	97 Å²	97	89.6 Å²	89.6	63%	0.63	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-6.9	-177.1	22.1	-31.5	0	0	0	114.6
245	G	60.3	Low	62	Low	65 Å²	65	95.9 Å²	95.9	67%	0.67	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-7.2	179.4	0	0	0	0	0	116	N243 V247	N243-G245 PolarHBondContact O-N 3.43Å; G245-V247 PolarHBondContact O-N 3.28Å
246	T	53	Low	59.6	Low	114 Å²	114	103.6 Å²	103.6	70%	0.699	56%	0.556	S	S	*	*			trans	-81.9	60.6	-179.1	-45.9	0	0	0	0	110.9	N243 K248	N243-T246 PolarHBondContact O-N 3.22Å; T246-K248 PolarHBondContact O-N 3.36Å
247	V	45.1	Very low	57.2	Low	102 Å²	102	108.8 Å²	108.8	62%	0.618	59%	0.592	S	S	*	*			trans	-68.1	123.5	165.5	179.3	0	0	0	0	107.1	G245 T249	G245-V247 PolarHBondContact O-N 3.28Å; V247-T249 HydrophobicContact CB-CG2 4.33Å; V247-T249 HydrophobicContact CG1-CG2 4.01Å; V247-T249 PolarHBondContact O-N 3.04Å
248	K	43.5	Very low	54.5	Low	194 Å²	194	116.5 Å²	116.5	84%	0.843	63%	0.627	S	S	*	*			trans	-62	84.1	163.1	-69	179.4	-178	173.7	0	108	T246 N250	T246-K248 PolarHBondContact O-N 3.36Å; K248-N250 PolarHBondContact O-N 2.87Å
249	T	36.2	Very low	52.2	Low	115 Å²	115	119.5 Å²	119.5	71%	0.706	65%	0.646	S	S	*	*			trans	-74.7	64.9	169.2	56.6	0	0	0	0	109.3	V247 V251	V247-T249 HydrophobicContact CB-CG2 4.33Å; V247-T249 HydrophobicContact CG1-CG2 4.01Å; V247-T249 PolarHBondContact O-N 3.04Å; T249-V251 PolarHBondContact O-N 3Å
250	N	35.4	Very low	49.8	Very low	155 Å²	155	128.4 Å²	128.4	83%	0.829	68%	0.684	S	S	*	*			trans	-88.5	55.3	155.7	-85.8	-19.7	0	0	0	108.5	K248	K248-N250 PolarHBondContact O-N 2.87Å
251	V	39.8	Very low	47.5	Very low	117 Å²	117	128.9 Å²	128.9	71%	0.709	70%	0.697	S	S	*	*			trans	-132.8	94.2	160.2	-175	0	0	0	0	106.1	T249 G253	T249-V251 PolarHBondContact O-N 3Å; V251-G253 VanDerWaalsContact C-N 3.29Å; V251-G253 PolarHBondContact O-N 3.37Å
252	K	32.7	Very low	45.5	Very low	222 Å²	222	132.1 Å²	132.1	97%	0.965	72%	0.721	S	S	*	*			trans	-62.6	95.3	163.1	-71.9	-179.4	177.3	179.1	0	107
253	G	34	Very low	44.3	Very low	56 Å²	56	132.5 Å²	132.5	58%	0.577	74%	0.738	S	S	*	*			trans	168.4	101.4	177.5	0	0	0	0	0	112.4	V251 K255	V251-G253 VanDerWaalsContact C-N 3.29Å; V251-G253 PolarHBondContact O-N 3.37Å; G253-K255 PolarHBondContact O-N 2.99Å
254	L	32.9	Very low	44	Very low	167 Å²	167	135.1 Å²	135.1	87%	0.874	75%	0.747	S	S	*	*			trans	-42.1	131.7	159.4	-90.1	73.9	0	0	0	110.5
255	K	29.7	Very low	44.7	Very low	194 Å²	194	135.3 Å²	135.3	84%	0.843	75%	0.746	S	S	*	*				171.5	121.1	125.9	-90.3	160.5	-171.5	-171	0	109.7	G253	G253-K255 PolarHBondContact O-N 2.99Å
256	H	36.1	Very low	46.1	Very low	180 Å²	180	133.5 Å²	133.5	83%	0.833	72%	0.721	S	S	*	*			trans	40.8	105.3	168.2	-65.9	-68.1	0	0	0	117.7	H258	H256-H258 VanDerWaalsContact C-N 3.28Å; H256-H258 PolarHBondContact O-N 2.79Å
257	S	40.6	Very low	47.9	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	70%	0.696	S	S	*	*			trans	-55.7	90.1	163.6	-178.3	0	0	0	0	109.8	V259	S257-V259 VanDerWaalsContact C-N 3.35Å; S257-V259 PolarHBondContact O-N 3.19Å
258	H	37.1	Very low	50.3	Low	176 Å²	176	124.9 Å²	124.9	82%	0.815	67%	0.667	S	S	*	*			trans	-71.3	102.4	154.7	-134.1	-75.2	0	0	0	104.5	H256 K260	H256-H258 VanDerWaalsContact C-N 3.28Å; H256-H258 PolarHBondContact O-N 2.79Å; H258-K260 PolarHBondContact O-N 3.24Å
259	V	44.5	Very low	52.6	Low	102 Å²	102	118 Å²	118	62%	0.618	64%	0.639	S	S	*	*			trans	-52.4	105.3	168.2	176.6	0	0	0	0	106	S257 T261	S257-V259 VanDerWaalsContact C-N 3.35Å; S257-V259 PolarHBondContact O-N 3.19Å; V259-T261 HydrophobicContact CG1-CG2 4.03Å; V259-T261 PolarHBondContact O-N 3.35Å
260	K	44.9	Very low	55.2	Low	186 Å²	186	116.6 Å²	116.6	81%	0.809	63%	0.625	S	S	*	*			trans	-67.4	103.5	168.8	-84.3	-176.7	174.2	-177.8	0	105.8	H258 S262	H258-K260 PolarHBondContact O-N 3.24Å; K260-S262 PolarHBondContact O-N 2.67Å
261	T	43.3	Very low	57.9	Low	129 Å²	129	109.4 Å²	109.4	79%	0.791	59%	0.586	S	S	*	*			trans	-79.3	20.4	-178.6	49	0	0	0	0	113.4	V259	V259-T261 HydrophobicContact CG1-CG2 4.03Å; V259-T261 PolarHBondContact O-N 3.35Å
262	S	47.6	Very low	60.3	Low	84 Å²	84	103.9 Å²	103.9	59%	0.587	55%	0.552	S	S	*	*	S	Bend	trans	-87.9	119.9	167.1	55.7	0	0	0	0	107.9	K260 E264	K260-S262 PolarHBondContact O-N 2.67Å; S262-E264 PolarHBondContact O-N 2.73Å; S262-E264 VanDerWaalsContact O-N 3.09Å
263	P	55.5	Low	63	Low	118 Å²	118	97 Å²	97	77%	0.766	53%	0.526	S	S	*	.			trans	-55.7	121.3	170.8	23.6	-30.8	0	0	0	107.9	V265	P263-V265 PolarHBondContact O-N 3.42Å; P263-V265 VanDerWaalsContact O-N 3.1Å
264	E	68.2	Low	65.5	Low	150 Å²	150	95.5 Å²	95.5	70%	0.701	51%	0.508	S	S	*	.			trans	-62	114.5	176	-169.5	172.9	-177.8	0	0	107.4	S262 I266	S262-E264 PolarHBondContact O-N 2.73Å; S262-E264 VanDerWaalsContact O-N 3.09Å; E264-I266 PolarHBondContact O-N 3.2Å
265	V	78.9	Confident	68.1	Low	101 Å²	101	90 Å²	90	61%	0.612	48%	0.479	S	S	*	.			trans	-71.6	118.5	177	178.4	0	0	0	0	106.9	P263 H361	P263-V265 PolarHBondContact O-N 3.42Å; P263-V265 VanDerWaalsContact O-N 3.1Å; V265-H361 HydrophobicContact CG1-CB 4.23Å
266	I	89.2	Confident	70.5	Confident	26 Å²	26	81.8 Å²	81.8	13%	0.133	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.9	175	-57.4	174.5	0	0	0	107.4	L241 E264 C271 E358 V360 H361	L241-I266 HydrophobicContact CD2-CG2 4.24Å; E264-I266 PolarHBondContact O-N 3.2Å; I266-C271 VanDerWaalsContact CG2-SG 3.54Å; I266-E358 HydrophobicContact CD1-CB 4.1Å; I266-V360 HydrophobicContact CB-CG2 4.37Å; I266-V360 HydrophobicContact CG2-CG1 4.34Å; I266-V360 HydrophobicContact CG2-CG2 4.2Å; I266-V360 CarbonylContact O-C 3.58Å; I266-V360 VanDerWaalsContact O-CA 3.3Å; I266-V360 WeakPolarHBondContact O-CA 3.32Å; I266-H361 PolarHBondContact O-N 3.4Å
267	D	91.8	Very high	72.5	Confident	35 Å²	35	77 Å²	77	19%	0.187	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140	175.8	-177.7	43.3	0	0	0	111.5	I269 E270 C271 H361	D267-I269 VanDerWaalsContact C-N 3.33Å; D267-I269 PolarHBondContact O-N 3.14Å; D267-I269 WeakPolarHBondContact OD2-CB 3.35Å; D267-I269 PolarHBondContact OD2-N 3.1Å; D267-E270 HydrophobicContact CB-CB 4.23Å; D267-E270 HydrophobicContact CB-CG 4.14Å; D267-E270 PolarHBondContact O-N 2.94Å; D267-C271 PolarHBondContact O-N 3.06Å; D267-C271 VanDerWaalsContact O-N 3.13Å; D267-C271 PolarHBondContact O-SG 3.37Å; D267-H361 IonicContact OD1-CE1 3.27Å; D267-H361 IonicContact OD1-CG 3.13Å; D267-H361 IonicContact OD1-ND1 2.9Å; D267-H361 PolarHBondContact OD1-ND1 3.24Å
268	L	93.5	Very high	74.3	Confident	0 Å²	0	76 Å²	76	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-61.9	-41.1	-179.7	178.9	66.2	0	0	0	111.8	I239 E270 C271 L272 L319 V360 H361 L505	I239-L268 HydrophobicContact CG1-CD1 4.14Å; I239-L268 HydrophobicContact CG2-CD1 4.07Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-C271 WeakPolarHBondContact O-CB 3.45Å; L268-C271 PolarHBondContact O-N 3.11Å; L268-L272 HydrophobicContact CG-CD1 4.33Å; L268-L272 PolarHBondContact O-N 3Å; L268-L319 HydrophobicContact CD1-CD1 4.32Å; L268-L319 HydrophobicContact CD2-CD1 3.83Å; L268-V360 HydrophobicContact CB-CG1 4.32Å; L268-H361 WeakPolarHBondContact CB-O 3.16Å; L268-H361 PolarHBondContact N-O 2.92Å; L268-H361 VanDerWaalsContact N-O 3.1Å; L268-L505 HydrophobicContact CD1-CD1 4.42Å; L268-L505 HydrophobicContact CD2-CD1 3.86Å
269	I	92.5	Very high	76.5	Confident	51 Å²	51	70.3 Å²	70.3	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-43.6	179.8	-55.9	-58.1	0	0	0	109.8	D267 C271 L272 D273 P363 L366	D267-I269 VanDerWaalsContact C-N 3.33Å; D267-I269 PolarHBondContact O-N 3.14Å; D267-I269 WeakPolarHBondContact OD2-CB 3.35Å; D267-I269 PolarHBondContact OD2-N 3.1Å; I269-C271 VanDerWaalsContact C-N 3.26Å; I269-C271 PolarHBondContact O-N 3.4Å; I269-L272 PolarHBondContact O-N 2.96Å; I269-D273 WeakPolarHBondContact O-CB 3.5Å; I269-D273 VanDerWaalsContact O-CG 3.3Å; I269-D273 PolarHBondContact O-N 2.92Å; I269-P363 HydrophobicContact CD1-CG 4.14Å; I269-P363 HydrophobicContact CG1-CG 4.39Å; I269-L366 HydrophobicContact CD1-CD1 3.44Å; I269-L366 VanDerWaalsContact CD1-CD1 3.44Å
270	E	90.5	Very high	78.4	Confident	85 Å²	85	69.1 Å²	69.1	40%	0.397	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-32.9	174.5	-76.3	-161.9	-159.4	0	0	114.1	R242 D267 L268 A274	R242-E270 IonicContact CZ-OE2 3.76Å; R242-E270 IonicContact NH1-OE2 2.73Å; R242-E270 PolarHBondContact NH1-OE2 2.69Å; R242-E270 PolarHBondContact NH2-O 3.33Å; R242-E270 IonicContact NH2-OE2 3.88Å; D267-E270 HydrophobicContact CB-CB 4.23Å; D267-E270 HydrophobicContact CB-CG 4.14Å; D267-E270 PolarHBondContact O-N 2.94Å; L268-E270 VanDerWaalsContact C-N 3.34Å; E270-A274 VanDerWaalsContact O-CB 3.26Å; E270-A274 WeakPolarHBondContact O-CB 3.34Å; E270-A274 PolarHBondContact O-N 3.33Å
271	C	91.8	Very high	80.4	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.02	38%	0.38	C	S	.	.	H	α-helix	trans	-70	-45.8	175.2	-64.1	0	0	0	0	110.8	I239 I266 D267 L268 I269 A274 Q275	I239-C271 HydrophobicContact CG2-CB 3.65Å; I266-C271 VanDerWaalsContact CG2-SG 3.54Å; D267-C271 PolarHBondContact O-N 3.06Å; D267-C271 VanDerWaalsContact O-N 3.13Å; D267-C271 PolarHBondContact O-SG 3.37Å; L268-C271 WeakPolarHBondContact O-CB 3.45Å; L268-C271 PolarHBondContact O-N 3.11Å; I269-C271 VanDerWaalsContact C-N 3.26Å; I269-C271 PolarHBondContact O-N 3.4Å; C271-A274 PolarHBondContact O-N 3.11Å; C271-Q275 VanDerWaalsContact O-CB 3.29Å; C271-Q275 WeakPolarHBondContact O-CB 3.34Å; C271-Q275 PolarHBondContact O-N 2.81Å
272	L	91	Very high	82.3	Confident	1 Å²	1	60 Å²	60	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-47.2	175.2	-75.5	168.2	0	0	0	111.7	L237 I239 L268 I269 A274 Q275 L276 L366 Y371	L237-L272 HydrophobicContact CD2-CD2 3.73Å; I239-L272 HydrophobicContact CD1-CD2 3.42Å; I239-L272 VanDerWaalsContact CD1-CD2 3.42Å; I239-L272 HydrophobicContact CD1-CG 4.09Å; L268-L272 HydrophobicContact CG-CD1 4.33Å; L268-L272 PolarHBondContact O-N 3Å; I269-L272 PolarHBondContact O-N 2.96Å; L272-A274 PolarHBondContact O-N 3.32Å; L272-Q275 PolarHBondContact O-N 3.36Å; L272-L276 WeakPolarHBondContact O-CB 3.16Å; L272-L276 WeakPolarHBondContact O-CG 3.3Å; L272-L276 PolarHBondContact O-N 2.98Å; L272-L366 HydrophobicContact CD1-CD1 4.02Å; L272-Y371 HydrophobicContact CB-CE1 4.13Å; L272-Y371 HydrophobicContact CB-CE2 4.13Å; L272-Y371 HydrophobicContact CD1-CE2 4Å
273	D	88.9	Confident	83.8	Confident	77 Å²	77	60.2 Å²	60.2	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-48.9	177.2	-76	-12.3	0	0	0	111.2	I269 A277 Y371	I269-D273 WeakPolarHBondContact O-CB 3.5Å; I269-D273 VanDerWaalsContact O-CG 3.3Å; I269-D273 PolarHBondContact O-N 2.92Å; D273-A277 WeakPolarHBondContact O-CB 3.27Å; D273-A277 PolarHBondContact O-N 3.1Å; D273-Y371 WeakPolarHBondContact OD1-CE1 3.34Å; D273-Y371 VanDerWaalsContact OD1-CZ 3.32Å; D273-Y371 PolarHBondContact OD1-OH 2.86Å
274	A	86.8	Confident	85	Confident	25 Å²	25	61 Å²	61	21%	0.207	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-47.3	178.5	0	0	0	0	0	111.5	E270 C271 L272 L276 A277 T278	E270-A274 VanDerWaalsContact O-CB 3.26Å; E270-A274 WeakPolarHBondContact O-CB 3.34Å; E270-A274 PolarHBondContact O-N 3.33Å; C271-A274 PolarHBondContact O-N 3.11Å; L272-A274 PolarHBondContact O-N 3.32Å; A274-L276 VanDerWaalsContact C-N 3.35Å; A274-L276 PolarHBondContact O-N 3.22Å; A274-A277 PolarHBondContact O-N 3.26Å; A274-T278 WeakPolarHBondContact O-CB 3.5Å; A274-T278 PolarHBondContact O-N 3.47Å; A274-T278 PolarHBondContact O-OG1 3.44Å
275	Q	87.1	Confident	85.6	Confident	53 Å²	53	56.7 Å²	56.7	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-39	-177.1	-176.9	171.5	-28.2	0	0	112.4	T238 F240 C271 L272	T238-Q275 PolarHBondContact O-NE2 3.45Å; T238-Q275 PolarHBondContact O-OE1 2.99Å; F240-Q275 HydrophobicContact CD2-CG 4.48Å; C271-Q275 VanDerWaalsContact O-CB 3.29Å; C271-Q275 WeakPolarHBondContact O-CB 3.34Å; C271-Q275 PolarHBondContact O-N 2.81Å; L272-Q275 PolarHBondContact O-N 3.36Å
276	L	81.1	Confident	85.7	Confident	21 Å²	21	58.8 Å²	58.8	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-88.4	-13.4	-178.2	-67.1	169.1	0	0	0	114.1	L272 A274 I310 Y371	L272-L276 WeakPolarHBondContact O-CB 3.16Å; L272-L276 WeakPolarHBondContact O-CG 3.3Å; L272-L276 PolarHBondContact O-N 2.98Å; A274-L276 VanDerWaalsContact C-N 3.35Å; A274-L276 PolarHBondContact O-N 3.22Å; L276-I310 HydrophobicContact CD1-CD1 4.02Å; L276-I310 HydrophobicContact CD1-CG1 4.44Å; L276-I310 HydrophobicContact CD2-CD1 4.42Å; L276-I310 HydrophobicContact CD2-CG1 4.08Å; L276-Y371 HydrophobicContact CB-CD1 4.49Å; L276-Y371 HydrophobicContact CD1-CD1 3.21Å; L276-Y371 HydrophobicContact CD1-CD2 4.49Å; L276-Y371 HydrophobicContact CD1-CE1 4.03Å; L276-Y371 HydrophobicContact CD1-CG 3.49Å; L276-Y371 VanDerWaalsContact CD1-CG 3.49Å; L276-Y371 HydrophobicContact CG-CD1 4.46Å
277	A	78.8	Confident	85.6	Confident	80 Å²	80	57.7 Å²	57.7	66%	0.661	32%	0.323	S	S	*	.	H	α-helix	trans	-90.5	-24.3	170	0	0	0	0	0	112.7	D273 A274	D273-A277 WeakPolarHBondContact O-CB 3.27Å; D273-A277 PolarHBondContact O-N 3.1Å; A274-A277 PolarHBondContact O-N 3.26Å
278	T	78.4	Confident	85.1	Confident	92 Å²	92	58.3 Å²	58.3	56%	0.564	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-79.5	129.7	-176.3	-58	0	0	0	0	110.7	A274	A274-T278 WeakPolarHBondContact O-CB 3.5Å; A274-T278 PolarHBondContact O-N 3.47Å; A274-T278 PolarHBondContact O-OG1 3.44Å
279	V	82.8	Confident	84.6	Confident	57 Å²	57	63.3 Å²	63.3	35%	0.345	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-91.8	123.7	167.8	-167.8	0	0	0	0	107.9	P281 Q305 R306 E307	V279-P281 WeakPolarHBondContact O-CD 3.23Å; V279-Q305 HydrophobicContact CG1-CB 3.67Å; V279-Q305 VanDerWaalsContact CG1-CD 3.45Å; V279-Q305 HydrophobicContact CG1-CG 3.47Å; V279-Q305 VanDerWaalsContact CG1-CG 3.47Å; V279-R306 WeakPolarHBondContact CG1-O 3.4Å; V279-E307 HydrophobicContact CG1-CG 3.7Å; V279-E307 HydrophobicContact CG2-CG 4.25Å
280	E	84.6	Confident	84.2	Confident	78 Å²	78	61.2 Å²	61.2	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.5	-174.3	-177.2	-172.5	157.2	0	0	110.5	I282 Q305 R306	E280-I282 PolarHBondContact O-N 3.48Å; E280-Q305 CarbonylContact O-C 3.6Å; E280-Q305 VanDerWaalsContact O-CA 3.27Å; E280-Q305 WeakPolarHBondContact O-CA 3.15Å; E280-R306 HydrophobicContact CB-CB 4.39Å; E280-R306 PolarHBondContact N-O 3.21Å; E280-R306 PolarHBondContact O-N 2.79Å; E280-R306 IonicContact OE1-CZ 3.53Å; E280-R306 IonicContact OE1-NH2 2.79Å; E280-R306 PolarHBondContact OE1-NH2 2.91Å; E280-R306 IonicContact OE2-CZ 3.21Å; E280-R306 IonicContact OE2-NE 3.25Å; E280-R306 PolarHBondContact OE2-NE 2.82Å; E280-R306 IonicContact OE2-NH2 2.58Å; E280-R306 PolarHBondContact OE2-NH2 3.4Å
281	P	86.4	Confident	83.8	Confident	93 Å²	93	63.5 Å²	63.5	60%	0.604	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.8	172.5	28.4	-32.8	0	0	0	109.7	V279 P283	V279-P281 WeakPolarHBondContact O-CD 3.23Å; P281-P283 WeakPolarHBondContact O-CD 3.33Å
282	I	83.7	Confident	83.2	Confident	31 Å²	31	72.2 Å²	72.2	16%	0.159	39%	0.389	C	S	.	.			trans	-96.9	100.1	175.5	-48.4	170.4	0	0	0	107.7	V218 E280 M285 C304 R306	V218-I282 HydrophobicContact CB-CD1 4.35Å; V218-I282 HydrophobicContact CG1-CD1 3.75Å; V218-I282 HydrophobicContact CG2-CD1 3.71Å; E280-I282 PolarHBondContact O-N 3.48Å; I282-M285 HydrophobicContact CB-CB 3.99Å; I282-M285 HydrophobicContact CB-SD 4.41Å; I282-M285 HydrophobicContact CD1-SD 3.51Å; I282-M285 VanDerWaalsContact CD1-SD 3.51Å; I282-M285 HydrophobicContact CG2-CB 3.67Å; I282-M285 HydrophobicContact CG2-SD 4.2Å; I282-C304 PolarHBondContact N-O 3.22Å; I282-R306 HydrophobicContact CD1-CB 3.94Å; I282-R306 HydrophobicContact CG1-CB 3.97Å
283	P	78.7	Confident	82.4	Confident	88 Å²	88	77.1 Å²	77.1	57%	0.571	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	144.6	174.8	27	-33.3	0	0	0	109.7	P281 M285	P281-P283 WeakPolarHBondContact O-CD 3.33Å; P283-M285 PolarHBondContact O-N 3.38Å; P283-M285 VanDerWaalsContact O-N 3.08Å
284	D	79.8	Confident	81.1	Confident	135 Å²	135	76.3 Å²	76.3	72%	0.722	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	3.7	173.8	-49.4	-44.5	0	0	0	116.3	K286 N302	D284-K286 PolarHBondContact O-N 3.3Å; D284-N302 WeakPolarHBondContact CA-OD1 3.48Å; D284-N302 PolarHBondContact N-OD1 2.81Å
285	M	82.4	Confident	79.6	Confident	59 Å²	59	82.7 Å²	82.7	29%	0.291	46%	0.456	S	S	.	.			trans	-76.6	112.2	176.7	-176	165.2	-177.9	0	0	112.2	V218 I282 P283 C287 C304	V218-M285 HydrophobicContact CB-CE 4.36Å; V218-M285 HydrophobicContact CG1-CE 3.78Å; V218-M285 HydrophobicContact CG1-SD 3.73Å; V218-M285 HydrophobicContact CG2-CE 4.35Å; V218-M285 HydrophobicContact CG2-SD 4.39Å; I282-M285 HydrophobicContact CB-CB 3.99Å; I282-M285 HydrophobicContact CB-SD 4.41Å; I282-M285 HydrophobicContact CD1-SD 3.51Å; I282-M285 VanDerWaalsContact CD1-SD 3.51Å; I282-M285 HydrophobicContact CG2-CB 3.67Å; I282-M285 HydrophobicContact CG2-SD 4.2Å; P283-M285 PolarHBondContact O-N 3.38Å; P283-M285 VanDerWaalsContact O-N 3.08Å; M285-C287 PolarHBondContact O-N 3.27Å; M285-C304 HydrophobicContact CB-CB 4.04Å; M285-C304 HydrophobicContact CG-CB 4.05Å; M285-C304 HydrophobicContact SD-CB 4.16Å
286	K	81.1	Confident	77.9	Confident	144 Å²	144	84 Å²	84	63%	0.626	47%	0.471	S	S	*	.			trans	-75.3	118.6	171.4	-62.3	179.3	-175.8	174.6	0	109.9	D284 P288	D284-K286 PolarHBondContact O-N 3.3Å; K286-P288 WeakPolarHBondContact O-CD 3.27Å
287	C	85.2	Confident	76.7	Confident	4 Å²	4	92.8 Å²	92.8	3%	0.027	51%	0.508	C	S	.	.			trans	-62.9	125.2	178.5	177.3	0	0	0	0	110.8	C220 M285 K289 C290 Q291	C220-C287 HydrophobicContact CB-CB 4.38Å; M285-C287 PolarHBondContact O-N 3.27Å; C287-K289 VanDerWaalsContact C-N 3.3Å; C287-K289 PolarHBondContact O-N 2.96Å; C287-C290 HydrophobicContact CB-CB 3.87Å; C287-C290 PolarHBondContact O-N 2.84Å; C287-C290 VanDerWaalsContact SG-SG 3.67Å; C287-Q291 VanDerWaalsContact O-CB 3.32Å; C287-Q291 WeakPolarHBondContact O-CB 3.46Å; C287-Q291 PolarHBondContact O-N 3.36Å
288	P	82.7	Confident	75.7	Confident	47 Å²	47	92.5 Å²	92.5	31%	0.305	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-35.3	-179.3	-25	33.7	0	0	0	114	Y225 K286 K292	Y225-P288 HydrophobicContact CE1-CG 4.26Å; K286-P288 WeakPolarHBondContact O-CD 3.27Å; P288-K292 WeakPolarHBondContact O-CG 3.26Å; P288-K292 PolarHBondContact O-N 3.41Å
289	K	82.7	Confident	74.7	Confident	105 Å²	105	89.3 Å²	89.3	46%	0.457	48%	0.483	S	S	.	.	H	α-helix	trans	-71	-49.2	177.6	-171.7	179.4	177.6	-172.6	0	110.6	C223 Y225 C287 Q291 K292 T293	C223-K289 HydrophobicContact CB-CD 4.48Å; Y225-K289 HydrophobicContact CD2-CB 3.86Å; Y225-K289 HydrophobicContact CD2-CD 4.44Å; Y225-K289 HydrophobicContact CG-CB 4.12Å; C287-K289 VanDerWaalsContact C-N 3.3Å; C287-K289 PolarHBondContact O-N 2.96Å; K289-Q291 VanDerWaalsContact C-N 3.28Å; K289-Q291 PolarHBondContact O-N 3.32Å; K289-K292 PolarHBondContact O-N 2.82Å; K289-T293 PolarHBondContact O-N 3.32Å; K289-T293 PolarHBondContact O-OG1 2.8Å; K289-T293 VanDerWaalsContact O-OG1 3.1Å
290	C	83.4	Confident	73.4	Confident	8 Å²	8	90.6 Å²	90.6	5%	0.054	49%	0.494	C	S	.	.	H	α-helix	trans	-63.7	-34.6	179.1	-58.2	0	0	0	0	112.5	C223 C287 K292 T293 S294 C299	C223-C290 PolarHBondContact SG-SG 3.08Å; C287-C290 HydrophobicContact CB-CB 3.87Å; C287-C290 PolarHBondContact O-N 2.84Å; C287-C290 VanDerWaalsContact SG-SG 3.67Å; C290-K292 VanDerWaalsContact C-N 3.35Å; C290-T293 WeakPolarHBondContact CA-OG1 3.44Å; C290-T293 PolarHBondContact O-N 2.94Å; C290-T293 PolarHBondContact O-OG1 3.46Å; C290-T293 VanDerWaalsContact O-OG1 3.13Å; C290-S294 WeakPolarHBondContact O-CB 3.25Å; C290-S294 PolarHBondContact O-N 2.92Å; C290-C299 HydrophobicContact CB-CB 3.76Å; C290-C299 VanDerWaalsContact CB-SG 3.54Å; C290-C299 PolarHBondContact SG-SG 3.16Å
291	Q	82.5	Confident	72.3	Confident	132 Å²	132	92.4 Å²	92.4	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-66.5	-36.3	177.3	-169.6	177.3	7.6	0	0	112.2	C287 K289	C287-Q291 VanDerWaalsContact O-CB 3.32Å; C287-Q291 WeakPolarHBondContact O-CB 3.46Å; C287-Q291 PolarHBondContact O-N 3.36Å; K289-Q291 VanDerWaalsContact C-N 3.28Å; K289-Q291 PolarHBondContact O-N 3.32Å
292	K	80	Confident	71.3	Confident	187 Å²	187	91.5 Å²	91.5	81%	0.813	50%	0.495	S	S	*	.	H	α-helix	trans	-72.9	-31.5	177.2	-72.8	178.6	-178.1	-171.6	0	113.3	P288 K289 C290	P288-K292 WeakPolarHBondContact O-CG 3.26Å; P288-K292 PolarHBondContact O-N 3.41Å; K289-K292 PolarHBondContact O-N 2.82Å; C290-K292 VanDerWaalsContact C-N 3.35Å
293	T	73.3	Confident	71.1	Confident	104 Å²	104	95.2 Å²	95.2	64%	0.638	51%	0.508	S	S	*	.	H	α-helix	trans	-85.8	-13.5	-175	46.3	0	0	0	0	114.5	K289 C290	K289-T293 PolarHBondContact O-N 3.32Å; K289-T293 PolarHBondContact O-OG1 2.8Å; K289-T293 VanDerWaalsContact O-OG1 3.1Å; C290-T293 WeakPolarHBondContact CA-OG1 3.44Å; C290-T293 PolarHBondContact O-N 2.94Å; C290-T293 PolarHBondContact O-OG1 3.46Å; C290-T293 VanDerWaalsContact O-OG1 3.13Å
294	S	60.8	Low	71.5	Confident	59 Å²	59	91.2 Å²	91.2	41%	0.413	48%	0.482	S	S	.	.			trans	-106.1	107.1	-163.8	-120.4	0	0	0	0	115.9	C290 S296	C290-S294 WeakPolarHBondContact O-CB 3.25Å; C290-S294 PolarHBondContact O-N 2.92Å; S294-S296 VanDerWaalsContact CB-O 3.27Å; S294-S296 WeakPolarHBondContact CB-O 3.48Å; S294-S296 PolarHBondContact OG-N 2.79Å; S294-S296 PolarHBondContact OG-O 2.92Å
295	T	55.7	Low	72	Confident	160 Å²	160	86.7 Å²	86.7	98%	0.982	46%	0.457	S	S	*	.	S	Bend	trans	-75.7	1.9	142.5	-0.2	0	0	0	0	112.4
296	S	52.1	Low	72.3	Confident	81 Å²	81	87.7 Å²	87.7	57%	0.566	46%	0.457	S	S	*	.	S	Bend	trans	-125.5	133	-175.2	-172.4	0	0	0	0	113.2	S294 S298	S294-S296 VanDerWaalsContact CB-O 3.27Å; S294-S296 WeakPolarHBondContact CB-O 3.48Å; S294-S296 PolarHBondContact OG-N 2.79Å; S294-S296 PolarHBondContact OG-O 2.92Å; S296-S298 PolarHBondContact O-N 3.28Å
297	K	55.7	Low	72.4	Confident	204 Å²	204	82.3 Å²	82.3	89%	0.887	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-68.6	17.5	-172.2	-75.7	177.7	172.9	175.3	0	116.2
298	S	57.5	Low	72.4	Confident	75 Å²	75	85.7 Å²	85.7	52%	0.524	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-86.1	-15.4	-165.5	-165.8	0	0	0	0	117.1	S296	S296-S298 PolarHBondContact O-N 3.28Å
299	C	58.1	Low	72.3	Confident	25 Å²	25	85.8 Å²	85.8	17%	0.169	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-115.1	35.7	-176.4	-165	0	0	0	0	113.1	Y222 C290	Y222-C299 HydrophobicContact CD1-CB 4.27Å; Y222-C299 HydrophobicContact CE1-CB 4.36Å; C290-C299 HydrophobicContact CB-CB 3.76Å; C290-C299 VanDerWaalsContact CB-SG 3.54Å; C290-C299 PolarHBondContact SG-SG 3.16Å
300	S	55.9	Low	72.5	Confident	83 Å²	83	80.9 Å²	80.9	58%	0.58	42%	0.423	S	S	*	.			trans	-86.6	-9	-172.7	53.7	0	0	0	0	116
301	L	60.6	Low	72.3	Confident	116 Å²	116	80.8 Å²	80.8	61%	0.607	42%	0.422	S	S	*	.	S	Bend	trans	-128.9	118.9	179.7	-94.9	88.5	0	0	0	112.6	Y303	L301-Y303 WeakPolarHBondContact O-CD2 3.42Å; L301-Y303 WeakPolarHBondContact O-CE2 3.46Å; L301-Y303 PolarHBondContact O-N 3.29Å
302	N	64.8	Low	72.3	Confident	74 Å²	74	75 Å²	75	40%	0.396	40%	0.395	S	S	.	.			trans	58	37.3	139.6	-53.5	-17	0	0	0	119.2	D284	D284-N302 WeakPolarHBondContact CA-OD1 3.48Å; D284-N302 PolarHBondContact N-OD1 2.81Å
303	Y	79.4	Confident	72.7	Confident	110 Å²	110	66.2 Å²	66.2	43%	0.431	36%	0.357	S	S	.	.			trans	-96.8	-0.1	170.7	-65.6	-73	0	0	0	114.3	N221 L301	N221-Y303 PolarHBondContact N-O 3.39Å; L301-Y303 WeakPolarHBondContact O-CD2 3.42Å; L301-Y303 WeakPolarHBondContact O-CE2 3.46Å; L301-Y303 PolarHBondContact O-N 3.29Å
304	C	89	Confident	73.3	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.1	-179.6	-59.8	0	0	0	0	110.4	V218 T219 I282 M285	V218-C304 HydrophobicContact CG1-CB 4.12Å; T219-C304 CarbonylContact O-C 3.58Å; T219-C304 WeakPolarHBondContact O-CA 3.27Å; I282-C304 PolarHBondContact N-O 3.22Å; M285-C304 HydrophobicContact CB-CB 4.04Å; M285-C304 HydrophobicContact CG-CB 4.05Å; M285-C304 HydrophobicContact SD-CB 4.16Å
305	Q	89.8	Confident	74.7	Confident	41 Å²	41	61.7 Å²	61.7	19%	0.192	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.4	-179.2	71.7	-175.8	6.7	0	0	109.6	V218 T219 N221 V279 E280	V218-Q305 CarbonylContact C-O 3.56Å; V218-Q305 WeakPolarHBondContact CA-O 3.47Å; T219-Q305 PolarHBondContact N-O 2.87Å; T219-Q305 PolarHBondContact O-N 2.85Å; T219-Q305 WeakPolarHBondContact OG1-CG 3.31Å; T219-Q305 PolarHBondContact OG1-NE2 2.87Å; N221-Q305 PolarHBondContact ND2-OE1 2.92Å; N221-Q305 PolarHBondContact OD1-NE2 2.95Å; N221-Q305 PolarHBondContact OD1-OE1 3.16Å; V279-Q305 HydrophobicContact CG1-CB 3.67Å; V279-Q305 VanDerWaalsContact CG1-CD 3.45Å; V279-Q305 HydrophobicContact CG1-CG 3.47Å; V279-Q305 VanDerWaalsContact CG1-CG 3.47Å; E280-Q305 CarbonylContact O-C 3.6Å; E280-Q305 VanDerWaalsContact O-CA 3.27Å; E280-Q305 WeakPolarHBondContact O-CA 3.15Å
306	R	87.8	Confident	76.4	Confident	79 Å²	79	54.2 Å²	54.2	30%	0.298	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.1	179.7	-175.3	167.8	62.6	-148.9	8.2	109.3	R217 V279 E280 I282 Q308	R217-R306 WeakPolarHBondContact O-CA 3.05Å; V279-R306 WeakPolarHBondContact CG1-O 3.4Å; E280-R306 HydrophobicContact CB-CB 4.39Å; E280-R306 PolarHBondContact N-O 3.21Å; E280-R306 PolarHBondContact O-N 2.79Å; E280-R306 IonicContact OE1-CZ 3.53Å; E280-R306 IonicContact OE1-NH2 2.79Å; E280-R306 PolarHBondContact OE1-NH2 2.91Å; E280-R306 IonicContact OE2-CZ 3.21Å; E280-R306 IonicContact OE2-NE 3.25Å; E280-R306 PolarHBondContact OE2-NE 2.82Å; E280-R306 IonicContact OE2-NH2 2.58Å; E280-R306 PolarHBondContact OE2-NH2 3.4Å; I282-R306 HydrophobicContact CD1-CB 3.94Å; I282-R306 HydrophobicContact CG1-CB 3.97Å; R306-Q308 HydrophobicContact CG-CG 4.02Å
307	E	83.8	Confident	78.5	Confident	31 Å²	31	50.4 Å²	50.4	15%	0.145	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137	171.1	-61.9	162.3	-173.2	0	0	108.1	S216 R217 T219 V279 W309	S216-E307 CarbonylContact C-O 3.36Å; S216-E307 VanDerWaalsContact CA-O 3.27Å; S216-E307 WeakPolarHBondContact CA-O 3.38Å; R217-E307 IonicContact CZ-OE2 2.7Å; R217-E307 PolarHBondContact N-O 2.84Å; R217-E307 IonicContact NE-OE2 2.72Å; R217-E307 PolarHBondContact NE-OE2 2.76Å; R217-E307 IonicContact NH2-OE2 3.21Å; R217-E307 PolarHBondContact NH2-OE2 3.38Å; R217-E307 PolarHBondContact O-N 3.47Å; T219-E307 WeakPolarHBondContact CG2-OE1 3.24Å; T219-E307 PolarHBondContact OG1-OE1 2.81Å; V279-E307 HydrophobicContact CG1-CG 3.7Å; V279-E307 HydrophobicContact CG2-CG 4.25Å; E307-W309 HydrophobicContact CB-CH2 3.29Å; E307-W309 HydrophobicContact CB-CZ2 3.38Å; E307-W309 HydrophobicContact CB-CZ3 4.02Å; E307-W309 HydrophobicContact CG-CH2 4.29Å; E307-W309 HydrophobicContact CG-CZ2 4.2Å; E307-W309 WeakPolarHBondContact OE2-CH2 3.19Å; E307-W309 WeakPolarHBondContact OE2-CZ2 3.25Å
308	Q	84.1	Confident	80.4	Confident	75 Å²	75	40.7 Å²	40.7	35%	0.35	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.6	179.3	-63.4	-175.9	-75	0	0	111.1	S215 R306	S215-Q308 CarbonylContact O-C 3.54Å; S215-Q308 VanDerWaalsContact O-CA 3.3Å; S215-Q308 WeakPolarHBondContact O-CA 3.25Å; R306-Q308 HydrophobicContact CG-CG 4.02Å
309	W	81.6	Confident	82.3	Confident	50 Å²	50	37.1 Å²	37.1	19%	0.189	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.3	179.6	-49.9	-85.3	0	0	0	111.1	V214 S215 R217 E307 L373	V214-W309 WeakPolarHBondContact CA-O 3.19Å; S215-W309 PolarHBondContact N-O 3.07Å; S215-W309 PolarHBondContact O-N 2.77Å; R217-W309 HydrophobicContact CB-CH2 3.92Å; R217-W309 HydrophobicContact CB-CZ3 3.78Å; E307-W309 HydrophobicContact CB-CH2 3.29Å; E307-W309 HydrophobicContact CB-CZ2 3.38Å; E307-W309 HydrophobicContact CB-CZ3 4.02Å; E307-W309 HydrophobicContact CG-CH2 4.29Å; E307-W309 HydrophobicContact CG-CZ2 4.2Å; E307-W309 WeakPolarHBondContact OE2-CH2 3.19Å; E307-W309 WeakPolarHBondContact OE2-CZ2 3.25Å; W309-L373 HydrophobicContact CG-CD1 4.38Å
310	I	86.6	Confident	84.1	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.1	170.7	-53.3	177.9	0	0	0	107.9	I212 L237 L276 T313 M368 L372 L373	I212-I310 HydrophobicContact CG2-CG2 4.34Å; L237-I310 HydrophobicContact CD1-CD1 4.29Å; L237-I310 HydrophobicContact CD2-CD1 3.65Å; L276-I310 HydrophobicContact CD1-CD1 4.02Å; L276-I310 HydrophobicContact CD1-CG1 4.44Å; L276-I310 HydrophobicContact CD2-CD1 4.42Å; L276-I310 HydrophobicContact CD2-CG1 4.08Å; I310-T313 HydrophobicContact CG2-CG2 3.7Å; I310-M368 HydrophobicContact CD1-CE 3.51Å; I310-L372 HydrophobicContact CB-CD2 4.3Å; I310-L372 HydrophobicContact CG2-CD2 3.75Å; I310-L372 WeakPolarHBondContact O-CA 3.46Å; I310-L373 PolarHBondContact O-N 3.49Å
311	T	80.2	Confident	86	Confident	6 Å²	6	32.4 Å²	32.4	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-34.5	-179	-50.6	0	0	0	0	111	L200 L213 S215	L200-T311 HydrophobicContact CD1-CG2 4.32Å; L200-T311 HydrophobicContact CD2-CG2 3.53Å; L213-T311 PolarHBondContact O-N 2.8Å; S215-T311 VanDerWaalsContact CB-OG1 3.23Å; S215-T311 WeakPolarHBondContact CB-OG1 3.18Å; S215-T311 PolarHBondContact OG-OG1 3.19Å
312	H	82	Confident	87.5	Confident	12 Å²	12	29.5 Å²	29.5	6%	0.056	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.3	-178	176.3	-105.7	0	0	0	111.1	T206 F209 Q211 L213	T206-H312 WeakPolarHBondContact CB-CD2 3.1Å; T206-H312 HydrophobicContact CG2-CB 4.28Å; T206-H312 PolarHBondContact O-CE1 3.37Å; T206-H312 PolarHBondContact O-NE2 3.04Å; T206-H312 VanDerWaalsContact O-NE2 3.1Å; F209-H312 PolarHBondContact O-CE1 2.7Å; Q211-H312 PolarHBondContact O-ND1 2.89Å; Q211-H312 VanDerWaalsContact O-ND1 3.17Å; L213-H312 HydrophobicContact CB-CB 3.85Å; L213-H312 HydrophobicContact CD1-CB 3.87Å; L213-H312 HydrophobicContact CG-CB 3.87Å; L213-H312 PolarHBondContact N-O 2.75Å; L213-H312 PolarHBondContact O-N 2.99Å
313	T	87.6	Confident	88.8	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.012	11%	0.112	C	C	.	.			trans	-128	129.6	169.1	53.9	0	0	0	0	110.3	I310 M368 L372 Y414 R509	I310-T313 HydrophobicContact CG2-CG2 3.7Å; T313-M368 HydrophobicContact CG2-CE 4.26Å; T313-L372 HydrophobicContact CG2-CD2 4.03Å; T313-Y414 WeakPolarHBondContact CB-OH 3.36Å; T313-Y414 PolarHBondContact O-OH 3.21Å; T313-Y414 PolarHBondContact OG1-OH 2.92Å; T313-R509 PolarHBondContact O-NH1 3.09Å
314	P	87.2	Confident	89	Confident	4 Å²	4	23 Å²	23	3%	0.026	11%	0.106	C	C	.	.			trans	-76.6	174.1	-178.1	22.6	-17.6	0	0	0	112.7	I212 Y316 Y414	I212-P314 HydrophobicContact CG1-CG 4.2Å; P314-Y316 CarbonylContact C-O 3.5Å; P314-Y316 HydrophobicContact CB-CD1 4.1Å; P314-Y316 HydrophobicContact CB-CE1 3.91Å; P314-Y316 HydrophobicContact CG-CD1 4.2Å; P314-Y316 HydrophobicContact CG-CE1 3.82Å; P314-Y316 WeakPolarHBondContact CG-O 3.34Å; P314-Y316 PolarHBondContact O-N 3.4Å; P314-Y414 WeakPolarHBondContact O-CE1 3.4Å; P314-Y414 PolarHBondContact O-OH 2.9Å
315	K	89.9	Confident	88.6	Confident	64 Å²	64	25.6 Å²	25.6	28%	0.278	12%	0.12	S	C	.	.	S	Bend	trans	-58.2	-32.1	178	-69.6	-174.1	-174.8	-170.7	0	112.3	E508 R509 E558 D562	K315-E508 CarbonylContact O-C 3.56Å; K315-E508 WeakPolarHBondContact O-CA 3.39Å; K315-R509 VanDerWaalsContact CG-NH2 3.25Å; K315-R509 PolarHBondContact O-N 3.23Å; K315-E558 IonicContact NZ-OE1 3.68Å; K315-E558 PolarHBondContact NZ-OE1 2.78Å; K315-E558 IonicContact NZ-OE2 4Å; K315-E558 PolarHBondContact NZ-OE2 2.8Å; K315-D562 IonicContact NZ-OD2 3.02Å
316	Y	91.2	Very high	88	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	152.1	166.3	77.5	-81.5	0	0	0	109.4	L73 L76 F144 M148 E210 P314 V318	L73-Y316 HydrophobicContact CB-CG 4.24Å; L73-Y316 HydrophobicContact CD1-CD1 4.34Å; L73-Y316 HydrophobicContact CD1-CD2 4.11Å; L73-Y316 HydrophobicContact CD1-CE1 4.44Å; L73-Y316 HydrophobicContact CD1-CE2 4.18Å; L73-Y316 HydrophobicContact CD1-CG 4.2Å; L76-Y316 HydrophobicContact CD1-CD1 3.88Å; L76-Y316 HydrophobicContact CD1-CE1 3.2Å; F144-Y316 HydrophobicContact CZ-CE2 4.33Å; M148-Y316 WeakPolarHBondContact CE-OH 3.38Å; E210-Y316 WeakPolarHBondContact O-CE1 3.49Å; E210-Y316 PolarHBondContact O-OH 3.46Å; P314-Y316 CarbonylContact C-O 3.5Å; P314-Y316 HydrophobicContact CB-CD1 4.1Å; P314-Y316 HydrophobicContact CB-CE1 3.91Å; P314-Y316 HydrophobicContact CG-CD1 4.2Å; P314-Y316 HydrophobicContact CG-CE1 3.82Å; P314-Y316 WeakPolarHBondContact CG-O 3.34Å; P314-Y316 PolarHBondContact O-N 3.4Å; Y316-V318 HydrophobicContact CD2-CG2 3.93Å; Y316-V318 HydrophobicContact CE2-CG2 4.13Å
317	L	95	Very high	87.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	128.3	175.1	171.7	67.1	0	0	0	108.8	I212 L319 L366 M368 Y414 Y507	I212-L317 HydrophobicContact CD1-CD1 3.72Å; I212-L317 HydrophobicContact CG1-CD1 4.18Å; L317-L319 HydrophobicContact CD1-CD2 3.98Å; L317-L319 HydrophobicContact CD2-CD2 4.24Å; L317-L319 HydrophobicContact CG-CD2 4Å; L317-L366 HydrophobicContact CD2-CD2 3.9Å; L317-M368 HydrophobicContact CD2-CG 3.69Å; L317-M368 HydrophobicContact CD2-SD 4.03Å; L317-Y414 HydrophobicContact CB-CD1 3.62Å; L317-Y414 HydrophobicContact CB-CE1 3.47Å; L317-Y414 VanDerWaalsContact CB-CE1 3.47Å; L317-Y414 HydrophobicContact CB-CG 4.43Å; L317-Y414 HydrophobicContact CD2-CD1 4.07Å; L317-Y414 HydrophobicContact CD2-CD2 4.11Å; L317-Y414 HydrophobicContact CD2-CE1 4.21Å; L317-Y414 HydrophobicContact CD2-CE2 4.25Å; L317-Y414 HydrophobicContact CD2-CG 4.04Å; L317-Y414 HydrophobicContact CG-CE1 4.47Å; L317-Y507 PolarHBondContact N-O 3.41Å; L317-Y507 WeakPolarHBondContact O-CB 3.18Å; L317-Y507 PolarHBondContact O-N 2.72Å
318	V	97	Very high	86.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.4	176.1	-169.4	0	0	0	0	109.5	F144 C236 L237 Y316 L504 L505 F506	F144-V318 HydrophobicContact CE1-CB 4.14Å; F144-V318 HydrophobicContact CE1-CG1 4.31Å; F144-V318 HydrophobicContact CE1-CG2 3.84Å; F144-V318 HydrophobicContact CZ-CB 4.44Å; F144-V318 HydrophobicContact CZ-CG2 3.64Å; C236-V318 CarbonylContact C-O 3.57Å; C236-V318 WeakPolarHBondContact CA-O 3.21Å; C236-V318 HydrophobicContact CB-CB 4.45Å; C236-V318 HydrophobicContact CB-CG1 4.43Å; C236-V318 WeakPolarHBondContact SG-CG1 3.46Å; L237-V318 PolarHBondContact N-O 3.48Å; Y316-V318 HydrophobicContact CD2-CG2 3.93Å; Y316-V318 HydrophobicContact CE2-CG2 4.13Å; V318-L504 HydrophobicContact CG1-CD2 4.3Å; V318-L505 CarbonylContact C-O 3.59Å; V318-L505 VanDerWaalsContact CA-O 3.27Å; V318-L505 WeakPolarHBondContact CA-O 3.36Å; V318-F506 HydrophobicContact CG1-CD1 4.33Å; V318-F506 HydrophobicContact CG1-CD2 4.4Å; V318-F506 HydrophobicContact CG1-CE1 4.09Å; V318-F506 HydrophobicContact CG1-CE2 4.16Å; V318-F506 HydrophobicContact CG1-CG 4.47Å; V318-F506 HydrophobicContact CG1-CZ 3.99Å; V318-F506 HydrophobicContact CG2-CD1 3.54Å; V318-F506 HydrophobicContact CG2-CE1 3.58Å; V318-F506 HydrophobicContact CG2-CG 4.25Å; V318-F506 HydrophobicContact CG2-CZ 4.31Å
319	L	97.2	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.5	174.3	-47.3	-179.9	0	0	0	109.3	L237 I239 L268 L317 L366 L504 L505 Y507	L237-L319 HydrophobicContact CB-CD2 3.78Å; L237-L319 HydrophobicContact CD2-CD2 3.99Å; L237-L319 HydrophobicContact CG-CD2 4.39Å; L237-L319 WeakPolarHBondContact O-CA 3.4Å; I239-L319 HydrophobicContact CG1-CB 4.18Å; L268-L319 HydrophobicContact CD1-CD1 4.32Å; L268-L319 HydrophobicContact CD2-CD1 3.83Å; L317-L319 HydrophobicContact CD1-CD2 3.98Å; L317-L319 HydrophobicContact CD2-CD2 4.24Å; L317-L319 HydrophobicContact CG-CD2 4Å; L319-L366 HydrophobicContact CD1-CD2 3.77Å; L319-L504 WeakPolarHBondContact O-CA 3.4Å; L319-L505 HydrophobicContact CB-CB 4.14Å; L319-L505 HydrophobicContact CB-CD1 4.27Å; L319-L505 HydrophobicContact CD1-CD1 4.22Å; L319-L505 PolarHBondContact N-O 3.47Å; L319-L505 PolarHBondContact O-N 3.34Å; L319-Y507 HydrophobicContact CD1-CD2 4.25Å; L319-Y507 HydrophobicContact CD1-CE2 3.95Å; L319-Y507 HydrophobicContact CG-CD2 4.39Å
320	Y	96.3	Very high	85.3	Confident	10 Å²	10	35 Å²	35	4%	0.039	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117	177.5	169.9	-129.4	0	0	0	109.9	H141 L237 T238 I239 Q322 Y503 L504	H141-Y320 HydrophobicContact CB-CD2 4.1Å; H141-Y320 HydrophobicContact CB-CE2 4.02Å; H141-Y320 AromaticContact CD2-CD1 3.88Å; H141-Y320 AromaticContact CD2-CG 3.67Å; H141-Y320 AromaticContact CE1-CD1 3.64Å; H141-Y320 AromaticContact CE1-CE1 3.74Å; H141-Y320 AromaticContact CG-CD2 3.93Å; H141-Y320 AromaticContact CG-CG 3.93Å; H141-Y320 AromaticContact ND1-CD1 3.88Å; H141-Y320 AromaticContact ND1-CE1 3.67Å; H141-Y320 AromaticContact ND1-CZ 3.87Å; H141-Y320 AromaticContact NE2-CD1 3.65Å; H141-Y320 AromaticContact NE2-CG 3.89Å; L237-Y320 PolarHBondContact O-N 2.95Å; T238-Y320 CarbonylContact C-O 3.46Å; T238-Y320 WeakPolarHBondContact CA-O 3.45Å; T238-Y320 HydrophobicContact CG2-CD1 3.94Å; T238-Y320 HydrophobicContact CG2-CE1 4.4Å; I239-Y320 PolarHBondContact N-O 3.23Å; Y320-Q322 PolarHBondContact O-N 2.85Å; Y320-Q322 PolarHBondContact OH-OE1 3.5Å; Y320-Q322 VanDerWaalsContact OH-OE1 3.12Å; Y320-Y503 HydrophobicContact CD2-CE2 4.43Å; Y320-Y503 HydrophobicContact CE2-CD2 4.24Å; Y320-Y503 HydrophobicContact CE2-CE1 4.19Å; Y320-Y503 AromaticContact CE2-CE2 3.52Å; Y320-Y503 HydrophobicContact CE2-CE2 3.52Å; Y320-Y503 AromaticContact CE2-CZ 3.47Å; Y320-Y503 VanDerWaalsContact CE2-CZ 3.47Å; Y320-Y503 WeakPolarHBondContact CE2-OH 3.48Å; Y320-Y503 PolarHBondContact OH-OH 3.19Å; Y320-L504 HydrophobicContact CD2-CD2 3.7Å; Y320-L504 HydrophobicContact CD2-CG 4.36Å; Y320-L504 HydrophobicContact CG-CD2 4.11Å
321	I	95.6	Very high	83.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.5	177.3	-59.6	178.4	0	0	0	108.7	I239 L241 R323 V360 A502 Y503 L505	I239-I321 HydrophobicContact CB-CG1 4.49Å; L241-I321 HydrophobicContact CD1-CG2 3.97Å; L241-I321 HydrophobicContact CD2-CG2 3.79Å; L241-I321 HydrophobicContact CG-CG2 3.95Å; I321-R323 HydrophobicContact CG2-CG 4Å; I321-R323 PolarHBondContact O-N 3.27Å; I321-V360 HydrophobicContact CD1-CB 4.37Å; I321-V360 HydrophobicContact CD1-CG1 4.36Å; I321-A502 HydrophobicContact CD1-CB 4.18Å; I321-Y503 PolarHBondContact N-O 2.88Å; I321-L505 HydrophobicContact CD1-CD1 4.16Å
322	Q	92.3	Very high	81.7	Confident	54 Å²	54	45 Å²	45	25%	0.252	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	96.1	178.4	-178.9	66.6	14	0	0	109.8	T238 I239 F240 Y320	T238-Q322 HydrophobicContact CG2-CB 4.02Å; I239-Q322 WeakPolarHBondContact O-CB 3.19Å; I239-Q322 PolarHBondContact O-N 2.57Å; F240-Q322 HydrophobicContact CD1-CB 4.11Å; F240-Q322 HydrophobicContact CD1-CG 4.13Å; F240-Q322 HydrophobicContact CE1-CB 4.33Å; F240-Q322 HydrophobicContact CE1-CG 4.15Å; Y320-Q322 PolarHBondContact O-N 2.85Å; Y320-Q322 PolarHBondContact OH-OE1 3.5Å; Y320-Q322 VanDerWaalsContact OH-OE1 3.12Å
323	R	90.3	Very high	79.6	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.015	28%	0.276	C	S	.	.			trans	-92	-7.6	179.1	-67.7	-176.8	177	-78	-3.6	114	I321 K355 R356 E358 A502	I321-R323 HydrophobicContact CG2-CG 4Å; I321-R323 PolarHBondContact O-N 3.27Å; R323-K355 HydrophobicContact CB-CG 4.42Å; R323-R356 HydrophobicContact CB-CB 4.37Å; R323-R356 WeakPolarHBondContact CD-O 3.44Å; R323-R356 PolarHBondContact NH1-O 3.45Å; R323-R356 WeakPolarHBondContact O-CB 3.46Å; R323-R356 PolarHBondContact O-N 3.07Å; R323-E358 PolarHBondContact NH1-O 3.34Å; R323-A502 PolarHBondContact NE-O 3.15Å; R323-A502 PolarHBondContact NH2-O 2.78Å
324	S	84.4	Confident	77.2	Confident	44 Å²	44	54.1 Å²	54.1	31%	0.308	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.1	178.3	-40.4	0	0	0	0	110.4	H427	S324-H427 WeakPolarHBondContact CA-NE2 3.25Å; S324-H427 PolarHBondContact OG-CE1 2.79Å; S324-H427 PolarHBondContact OG-NE2 2.99Å; S324-H427 VanDerWaalsContact OG-NE2 3.15Å
325	D	81.3	Confident	75	Confident	58 Å²	58	62.4 Å²	62.4	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	157.3	174.4	-162.8	5.7	0	0	0	110.6	T354 R356	D325-T354 PolarHBondContact N-O 3.34Å; D325-T354 PolarHBondContact O-N 2.71Å; D325-T354 PolarHBondContact O-OG1 2.84Å; D325-R356 HydrophobicContact CB-CG 4.1Å
326	W	76.1	Confident	72.5	Confident	156 Å²	156	64.4 Å²	64.4	59%	0.591	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	104.8	178.3	-68.8	98.3	0	0	0	110.1	N328 R351 A353	W326-N328 PolarHBondContact O-N 3.41Å; W326-R351 HydrophobicContact CE3-CB 3.86Å; W326-R351 HydrophobicContact CZ3-CB 4.42Å; W326-A353 HydrophobicContact CE3-CB 4.15Å; W326-A353 HydrophobicContact CH2-CB 4.24Å; W326-A353 HydrophobicContact CZ3-CB 3.91Å
327	L	73.2	Confident	69.9	Low	93 Å²	93	70.7 Å²	70.7	49%	0.487	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.9	171.9	-173	69.9	0	0	0	109.6	I329 R351 I352 T354	L327-I329 HydrophobicContact CD2-CG1 4.16Å; L327-I329 HydrophobicContact CG-CG1 4.41Å; L327-I329 PolarHBondContact O-N 3.27Å; L327-R351 WeakPolarHBondContact O-CA 3.29Å; L327-I352 PolarHBondContact N-O 3.24Å; L327-I352 PolarHBondContact O-N 3.35Å; L327-T354 HydrophobicContact CB-CG2 3.87Å; L327-T354 HydrophobicContact CD2-CG2 4.48Å
328	N	72.5	Confident	67.4	Low	90 Å²	90	78 Å²	78	48%	0.481	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.6	167.9	-65.6	-56.6	0	0	0	108.6	W326 A330 R351	W326-N328 PolarHBondContact O-N 3.41Å; N328-A330 PolarHBondContact O-N 2.94Å; N328-R351 VanDerWaalsContact OD1-CG 3.26Å; N328-R351 WeakPolarHBondContact OD1-CG 3.27Å; N328-R351 PolarHBondContact OD1-NE 2.91Å
329	I	68.5	Low	64.6	Low	61 Å²	61	85.2 Å²	85.2	31%	0.313	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	102.8	165	-57.9	-173.8	0	0	0	106.3	L327 S331 T350 I352	L327-I329 HydrophobicContact CD2-CG1 4.16Å; L327-I329 HydrophobicContact CG-CG1 4.41Å; L327-I329 PolarHBondContact O-N 3.27Å; I329-S331 PolarHBondContact O-N 2.82Å; I329-S331 VanDerWaalsContact O-N 3.12Å; I329-T350 PolarHBondContact N-O 2.96Å; I329-I352 HydrophobicContact CD1-CD1 3.36Å; I329-I352 HydrophobicContact CD1-CG1 3.89Å; I329-I352 HydrophobicContact CG1-CD1 4.35Å; I329-I352 HydrophobicContact CG1-CG1 4.39Å
330	A	66.3	Low	61.7	Low	74 Å²	74	96.5 Å²	96.5	61%	0.612	52%	0.515	S	S	*	.			trans	-59	115.7	155.7	0	0	0	0	0	105.1	N328 L332	N328-A330 PolarHBondContact O-N 2.94Å; A330-L332 PolarHBondContact O-N 3.33Å
331	S	46.1	Very low	58.7	Low	79 Å²	79	103.7 Å²	103.7	55%	0.552	55%	0.549	S	S	*	.			trans	-45	116.4	176.8	51.8	0	0	0	0	107.9	I329 S333	I329-S331 PolarHBondContact O-N 2.82Å; I329-S331 VanDerWaalsContact O-N 3.12Å; S331-S333 PolarHBondContact O-N 3.49Å
332	L	44.8	Very low	55.8	Low	138 Å²	138	113.7 Å²	113.7	72%	0.723	59%	0.593	S	S	*	*			trans	-60.4	87.2	169.3	-94.3	95.7	0	0	0	106.7	A330 T334	A330-L332 PolarHBondContact O-N 3.33Å; L332-T334 HydrophobicContact CD2-CG2 3.95Å; L332-T334 PolarHBondContact O-N 2.87Å; L332-T334 VanDerWaalsContact O-N 3.11Å
333	S	39.3	Very low	52.9	Low	112 Å²	112	115.6 Å²	115.6	78%	0.783	63%	0.627	S	S	*	*			trans	-79.2	60.8	151.7	64.8	0	0	0	0	106.9	S331 E335	S331-S333 PolarHBondContact O-N 3.49Å; S333-E335 PolarHBondContact O-N 3.46Å
334	T	37.6	Very low	50.3	Low	93 Å²	93	118.4 Å²	118.4	57%	0.571	66%	0.658	S	S	*	*			trans	-78.1	101.1	157.8	37.5	0	0	0	0	106.6	L332	L332-T334 HydrophobicContact CD2-CG2 3.95Å; L332-T334 PolarHBondContact O-N 2.87Å; L332-T334 VanDerWaalsContact O-N 3.11Å
335	E	39.4	Very low	48.1	Very low	177 Å²	177	122.4 Å²	122.4	83%	0.827	68%	0.676	S	S	*	*			trans	61.4	98.3	140.5	-57.5	179.8	179	0	0	117.7	S333	S333-E335 PolarHBondContact O-N 3.46Å
336	S	38.5	Very low	46.5	Very low	107 Å²	107	125 Å²	125	75%	0.748	70%	0.695	S	S	*	*				162.2	134.3	110.7	57.8	0	0	0	0	112.1
337	N	36.9	Very low	45.3	Very low	134 Å²	134	125.8 Å²	125.8	72%	0.717	70%	0.703	S	S	*	*			trans	65.2	91.7	154.9	-60.3	-22.2	0	0	0	119.7	I339	N337-I339 PolarHBondContact O-N 3.46Å
338	N	41.6	Very low	44.1	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	71%	0.708	S	S	*	*				42.4	41.6	126	-69.8	-23.9	0	0	0	120.1
339	I	37.7	Very low	43.4	Very low	151 Å²	151	124.6 Å²	124.6	77%	0.774	71%	0.707	S	S	*	*			trans	-106.7	81.7	158.9	-55.6	-179.1	0	0	0	108.6	N337 Q341	N337-I339 PolarHBondContact O-N 3.46Å; I339-Q341 PolarHBondContact O-N 2.81Å
340	R	36.5	Very low	43.5	Very low	238 Å²	238	125.4 Å²	125.4	90%	0.898	72%	0.715	S	S	*	*			trans	-73.7	71.2	165.3	-70.4	-175.2	176.8	-154	-0.2	109.3
341	Q	33	Very low	43.6	Very low	160 Å²	160	129.4 Å²	129.4	75%	0.748	71%	0.714	S	S	*	*			trans	-167.6	92.7	166.6	-113.4	168.6	19.1	0	0	109	I339	I339-Q341 PolarHBondContact O-N 2.81Å
342	F	34.7	Very low	45	Very low	210 Å²	210	129.3 Å²	129.3	92%	0.921	71%	0.707	S	S	*	*			trans	171.5	116	139.5	-92.6	-69	0	0	0	105.7	G344	F342-G344 PolarHBondContact O-N 2.85Å
343	G	32.7	Very low	46.7	Very low	94 Å²	94	125.2 Å²	125.2	97%	0.969	69%	0.693	S	S	*	*			trans	-69.1	65.1	-169.6	0	0	0	0	0	115
344	G	35.9	Very low	48.7	Very low	64 Å²	64	122.2 Å²	122.2	66%	0.66	67%	0.67	S	S	*	*			trans	-80.9	125.4	165.1	0	0	0	0	0	110.3	F342 P346	F342-G344 PolarHBondContact O-N 2.85Å; G344-P346 WeakPolarHBondContact O-CD 3.46Å
345	N	37.6	Very low	51	Low	128 Å²	128	119.3 Å²	119.3	68%	0.684	65%	0.649	S	S	*	*			trans	-59.9	120.1	179.9	-162.3	-2.1	0	0	0	110.3	F347 S348	N345-F347 PolarHBondContact O-N 2.83Å; N345-S348 PolarHBondContact O-N 3.32Å
346	P	47.5	Very low	53.3	Low	111 Å²	111	111.8 Å²	111.8	72%	0.721	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	14.8	-175.4	26.1	-33	0	0	0	115.2	G344	G344-P346 WeakPolarHBondContact O-CD 3.46Å
347	F	50.1	Low	55.5	Low	173 Å²	173	111.4 Å²	111.4	76%	0.759	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	16.8	179.8	-75.4	-81.3	0	0	0	114.3	N345 T349	N345-F347 PolarHBondContact O-N 2.83Å; F347-T349 PolarHBondContact O-N 2.96Å
348	S	48.9	Very low	57.9	Low	85 Å²	85	108.2 Å²	108.2	59%	0.594	59%	0.591	S	S	*	*			trans	-73.1	80	168.3	-171.7	0	0	0	0	109.8	N345 T350	N345-S348 PolarHBondContact O-N 3.32Å; S348-T350 PolarHBondContact O-N 3.28Å
349	T	57.4	Low	60.2	Low	73 Å²	73	104.2 Å²	104.2	45%	0.448	57%	0.568	S	S	.	*			trans	-65.1	100.7	162.9	52.3	0	0	0	0	107.3	F347 R351	F347-T349 PolarHBondContact O-N 2.96Å; T349-R351 PolarHBondContact O-N 3.22Å
350	T	70.1	Confident	62.8	Low	79 Å²	79	97 Å²	97	49%	0.485	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	117	172.4	-57.6	0	0	0	0	107.6	I329 S348 I352	I329-T350 PolarHBondContact N-O 2.96Å; S348-T350 PolarHBondContact O-N 3.28Å; T350-I352 HydrophobicContact CG2-CG1 4.35Å
351	R	69.5	Low	65.6	Low	157 Å²	157	88.7 Å²	88.7	59%	0.592	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.7	173.1	-71.2	-172.3	179.6	167.7	5.8	108.9	W326 L327 N328 T349	W326-R351 HydrophobicContact CE3-CB 3.86Å; W326-R351 HydrophobicContact CZ3-CB 4.42Å; L327-R351 WeakPolarHBondContact O-CA 3.29Å; N328-R351 VanDerWaalsContact OD1-CG 3.26Å; N328-R351 WeakPolarHBondContact OD1-CG 3.27Å; N328-R351 PolarHBondContact OD1-NE 2.91Å; T349-R351 PolarHBondContact O-N 3.22Å
352	I	76	Confident	68.4	Low	78 Å²	78	81.2 Å²	81.2	40%	0.4	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.3	173	-57.5	-164.1	0	0	0	108	L327 I329 T350 T354	L327-I352 PolarHBondContact N-O 3.24Å; L327-I352 PolarHBondContact O-N 3.35Å; I329-I352 HydrophobicContact CD1-CD1 3.36Å; I329-I352 HydrophobicContact CD1-CG1 3.89Å; I329-I352 HydrophobicContact CG1-CD1 4.35Å; I329-I352 HydrophobicContact CG1-CG1 4.39Å; T350-I352 HydrophobicContact CG2-CG1 4.35Å; I352-T354 PolarHBondContact O-N 2.74Å
353	A	78.8	Confident	71.2	Confident	52 Å²	52	72.3 Å²	72.3	43%	0.43	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.4	171.6	0	0	0	0	0	109.4	W326	W326-A353 HydrophobicContact CE3-CB 4.15Å; W326-A353 HydrophobicContact CH2-CB 4.24Å; W326-A353 HydrophobicContact CZ3-CB 3.91Å
354	T	82.1	Confident	74.2	Confident	48 Å²	48	70.5 Å²	70.5	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.9	179.1	53.3	0	0	0	0	110.1	D325 L327 I352	D325-T354 PolarHBondContact N-O 3.34Å; D325-T354 PolarHBondContact O-N 2.71Å; D325-T354 PolarHBondContact O-OG1 2.84Å; L327-T354 HydrophobicContact CB-CG2 3.87Å; L327-T354 HydrophobicContact CD2-CG2 4.48Å; I352-T354 PolarHBondContact O-N 2.74Å
355	K	86.8	Confident	77	Confident	33 Å²	33	70.9 Å²	70.9	14%	0.143	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.2	175.9	-178.8	179.1	169.5	-165.9	0	110.3	R323 S357 H422 G424 A425 H427	R323-K355 HydrophobicContact CB-CG 4.42Å; K355-S357 PolarHBondContact O-N 3.34Å; K355-H422 PolarHBondContact NZ-ND1 3.2Å; K355-H422 PolarHBondContact NZ-O 3.07Å; K355-G424 WeakPolarHBondContact CD-O 3.46Å; K355-G424 PolarHBondContact NZ-O 3.39Å; K355-A425 WeakPolarHBondContact CB-O 3.35Å; K355-H427 WeakPolarHBondContact CB-NE2 3.36Å
356	R	86.7	Confident	79.7	Confident	19 Å²	19	64.8 Å²	64.8	7%	0.072	35%	0.347	C	S	.	.			trans	-79.7	111.4	175.1	-71.4	-157.3	63.4	-170.2	-0.2	111.5	L241 R242 R323 D325 E358	L241-R356 HydrophobicContact CD1-CB 4.41Å; R242-R356 PolarHBondContact O-NH1 3.05Å; R242-R356 PolarHBondContact O-NH2 3.44Å; R323-R356 HydrophobicContact CB-CB 4.37Å; R323-R356 WeakPolarHBondContact CD-O 3.44Å; R323-R356 PolarHBondContact NH1-O 3.45Å; R323-R356 WeakPolarHBondContact O-CB 3.46Å; R323-R356 PolarHBondContact O-N 3.07Å; D325-R356 HydrophobicContact CB-CG 4.1Å; R356-E358 WeakPolarHBondContact CA-OE2 3.27Å; R356-E358 WeakPolarHBondContact CB-OE2 3.43Å; R356-E358 IonicContact CZ-OE1 3.63Å; R356-E358 VanDerWaalsContact CZ-OE1 3.22Å; R356-E358 IonicContact CZ-OE2 3.22Å; R356-E358 IonicContact NE-OE1 3.78Å; R356-E358 PolarHBondContact NE-OE1 3.31Å; R356-E358 IonicContact NE-OE2 2.97Å; R356-E358 PolarHBondContact NE-OE2 3.11Å; R356-E358 VanDerWaalsContact NE-OE2 3.12Å; R356-E358 VanDerWaalsContact NH2-CD 3.28Å; R356-E358 IonicContact NH2-OE1 3.38Å; R356-E358 PolarHBondContact NH2-OE1 3.45Å; R356-E358 IonicContact NH2-OE2 2.69Å
357	S	84.4	Confident	81.8	Confident	98 Å²	98	63.1 Å²	63.1	69%	0.685	33%	0.332	S	S	*	.			trans	-97.4	4.9	-176.8	63.1	0	0	0	0	113.7	K355	K355-S357 PolarHBondContact O-N 3.34Å
358	E	87.1	Confident	83.7	Confident	67 Å²	67	54.9 Å²	54.9	31%	0.313	30%	0.296	S	S	.	.			trans	-63.9	144.4	-179.4	-57.2	95.6	135	0	0	111.4	I266 R323 R356	I266-E358 HydrophobicContact CD1-CB 4.1Å; R323-E358 PolarHBondContact NH1-O 3.34Å; R356-E358 WeakPolarHBondContact CA-OE2 3.27Å; R356-E358 WeakPolarHBondContact CB-OE2 3.43Å; R356-E358 IonicContact CZ-OE1 3.63Å; R356-E358 VanDerWaalsContact CZ-OE1 3.22Å; R356-E358 IonicContact CZ-OE2 3.22Å; R356-E358 IonicContact NE-OE1 3.78Å; R356-E358 PolarHBondContact NE-OE1 3.31Å; R356-E358 IonicContact NE-OE2 2.97Å; R356-E358 PolarHBondContact NE-OE2 3.11Å; R356-E358 VanDerWaalsContact NE-OE2 3.12Å; R356-E358 VanDerWaalsContact NH2-CD 3.28Å; R356-E358 IonicContact NH2-OE1 3.38Å; R356-E358 PolarHBondContact NH2-OE1 3.45Å; R356-E358 IonicContact NH2-OE2 2.69Å
359	H	90.8	Very high	85.5	Confident	71 Å²	71	51.1 Å²	51.1	33%	0.329	27%	0.27	S	S	.	.			trans	-71.6	137.6	175.8	178	56.1	0	0	0	110.3	E498 S499	H359-E498 PolarHBondContact CE1-O 2.86Å; H359-S499 PolarHBondContact ND1-O 3.42Å
360	V	92.7	Very high	86.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.4	174	-179	0	0	0	0	106.5	L241 I266 L268 I321 I362	L241-V360 HydrophobicContact CD1-CG2 4.36Å; L241-V360 HydrophobicContact CD2-CG2 3.67Å; I266-V360 HydrophobicContact CB-CG2 4.37Å; I266-V360 HydrophobicContact CG2-CG1 4.34Å; I266-V360 HydrophobicContact CG2-CG2 4.2Å; I266-V360 CarbonylContact O-C 3.58Å; I266-V360 VanDerWaalsContact O-CA 3.3Å; I266-V360 WeakPolarHBondContact O-CA 3.32Å; L268-V360 HydrophobicContact CB-CG1 4.32Å; I321-V360 HydrophobicContact CD1-CB 4.37Å; I321-V360 HydrophobicContact CD1-CG1 4.36Å; V360-I362 VanDerWaalsContact O-CD1 3.3Å; V360-I362 WeakPolarHBondContact O-CD1 3.34Å; V360-I362 WeakPolarHBondContact O-CG1 3.37Å; V360-I362 PolarHBondContact O-N 2.75Å
361	H	94	Very high	87.4	Confident	63 Å²	63	47 Å²	47	29%	0.292	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.2	174.8	170.6	-96.6	0	0	0	109.3	V265 I266 D267 L268 E498	V265-H361 HydrophobicContact CG1-CB 4.23Å; I266-H361 PolarHBondContact O-N 3.4Å; D267-H361 IonicContact OD1-CE1 3.27Å; D267-H361 IonicContact OD1-CG 3.13Å; D267-H361 IonicContact OD1-ND1 2.9Å; D267-H361 PolarHBondContact OD1-ND1 3.24Å; L268-H361 WeakPolarHBondContact CB-O 3.16Å; L268-H361 PolarHBondContact N-O 2.92Å; L268-H361 VanDerWaalsContact N-O 3.1Å; H361-E498 IonicContact CD2-OE1 3.38Å; H361-E498 IonicContact NE2-OE1 3.72Å
362	I	93.3	Very high	88	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.015	22%	0.22	C	C	.	.			trans	-121.3	115.2	-173.9	-62.8	137.3	0	0	0	108.5	V360 L416 A502 L505 Y507	V360-I362 VanDerWaalsContact O-CD1 3.3Å; V360-I362 WeakPolarHBondContact O-CD1 3.34Å; V360-I362 WeakPolarHBondContact O-CG1 3.37Å; V360-I362 PolarHBondContact O-N 2.75Å; I362-L416 HydrophobicContact CG2-CD1 4.45Å; I362-L416 HydrophobicContact CG2-CD2 4.11Å; I362-A502 HydrophobicContact CD1-CB 3.27Å; I362-A502 HydrophobicContact CG1-CB 4.39Å; I362-L505 HydrophobicContact CD1-CD2 4Å; I362-L505 HydrophobicContact CG1-CD1 4.09Å; I362-L505 HydrophobicContact CG1-CD2 4.14Å; I362-L505 HydrophobicContact CG2-CD1 3.94Å; I362-L505 HydrophobicContact CG2-CD2 3.82Å; I362-Y507 VanDerWaalsContact CG2-OH 3.25Å; I362-Y507 WeakPolarHBondContact CG2-OH 3.32Å
363	P	93.7	Very high	87.6	Confident	22 Å²	22	37.2 Å²	37.2	14%	0.143	20%	0.204	C	C	.	.			trans	-73.4	141.3	179.8	31.7	-35.8	0	0	0	111	I269 F365 Y507	I269-P363 HydrophobicContact CD1-CG 4.14Å; I269-P363 HydrophobicContact CG1-CG 4.39Å; P363-F365 WeakPolarHBondContact CB-O 3.24Å; P363-F365 PolarHBondContact O-N 3.01Å; P363-Y507 PolarHBondContact O-OH 2.66Å
364	E	94	Very high	86.6	Confident	56 Å²	56	36.9 Å²	36.9	26%	0.262	20%	0.199	S	C	.	.	S	Bend	trans	-63	-34.9	173.5	-175.7	171.5	-164.7	0	0	111.8	V415 L416 K437 F494	E364-V415 HydrophobicContact CG-CG2 4.41Å; E364-V415 CarbonylContact O-C 3.41Å; E364-V415 WeakPolarHBondContact O-CA 3.4Å; E364-L416 PolarHBondContact O-N 2.77Å; E364-K437 WeakPolarHBondContact OE1-CE 3.15Å; E364-K437 IonicContact OE1-NZ 3.48Å; E364-K437 PolarHBondContact OE1-NZ 3.43Å; E364-F494 HydrophobicContact CB-CE1 4.29Å; E364-F494 HydrophobicContact CB-CE2 4.34Å; E364-F494 HydrophobicContact CB-CZ 3.78Å; E364-F494 HydrophobicContact CG-CZ 4.41Å
365	F	95.2	Very high	85.2	Confident	73 Å²	73	36.2 Å²	36.2	32%	0.32	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.1	176.9	-61.6	-84.5	0	0	0	110.4	P363 Y414 V415 L510 I520	P363-F365 WeakPolarHBondContact CB-O 3.24Å; P363-F365 PolarHBondContact O-N 3.01Å; F365-Y414 CarbonylContact C-O 3.58Å; F365-Y414 VanDerWaalsContact CA-O 3.24Å; F365-Y414 WeakPolarHBondContact CA-O 3.5Å; F365-V415 HydrophobicContact CD1-CB 4.13Å; F365-V415 HydrophobicContact CD1-CG2 4.25Å; F365-V415 HydrophobicContact CE1-CB 4.07Å; F365-V415 HydrophobicContact CE1-CG2 3.89Å; F365-V415 HydrophobicContact CZ-CG2 4.42Å; F365-L510 HydrophobicContact CD1-CD1 4.18Å; F365-L510 HydrophobicContact CE1-CD1 4.07Å; F365-I520 HydrophobicContact CE1-CD1 3.94Å; F365-I520 HydrophobicContact CZ-CD1 4.02Å; F365-I520 HydrophobicContact CZ-CG1 4.21Å
366	L	94.7	Very high	83.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.3	-177.2	176.3	64.2	0	0	0	110.1	I269 L272 L317 L319 M368 Y414 Y507	I269-L366 HydrophobicContact CD1-CD1 3.44Å; I269-L366 VanDerWaalsContact CD1-CD1 3.44Å; L272-L366 HydrophobicContact CD1-CD1 4.02Å; L317-L366 HydrophobicContact CD2-CD2 3.9Å; L319-L366 HydrophobicContact CD1-CD2 3.77Å; L366-M368 HydrophobicContact CD1-SD 4.33Å; L366-M368 HydrophobicContact CD2-CG 4.34Å; L366-M368 HydrophobicContact CD2-SD 3.82Å; L366-M368 HydrophobicContact CG-CG 4.25Å; L366-M368 HydrophobicContact CG-SD 3.96Å; L366-Y414 PolarHBondContact N-O 2.86Å; L366-Y414 PolarHBondContact O-N 3.28Å; L366-Y507 HydrophobicContact CB-CD1 3.99Å; L366-Y507 HydrophobicContact CB-CE1 3.65Å; L366-Y507 HydrophobicContact CD2-CD1 4.49Å; L366-Y507 HydrophobicContact CD2-CD2 4.23Å; L366-Y507 HydrophobicContact CD2-CE1 4.38Å; L366-Y507 HydrophobicContact CD2-CE2 4.08Å; L366-Y507 HydrophobicContact CD2-CG 4.44Å
367	D	92	Very high	81.7	Confident	75 Å²	75	39.9 Å²	39.9	40%	0.401	21%	0.214	S	C	.	.			trans	-88.2	118.3	171.5	-177.7	14.2	0	0	0	110.3	A369 P370	D367-A369 WeakPolarHBondContact OD1-CB 3.17Å; D367-A369 PolarHBondContact OD1-N 3.17Å; D367-P370 WeakPolarHBondContact OD2-CD 3.49Å
368	M	90.4	Very high	80	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.202	C	C	.	.			trans	-97	-8.4	176.9	-68.5	-60.9	-65.2	0	0	113.4	L237 I310 T313 L317 L366 P370 Y371 L372 Y414	L237-M368 HydrophobicContact CD2-CE 4.33Å; I310-M368 HydrophobicContact CD1-CE 3.51Å; T313-M368 HydrophobicContact CG2-CE 4.26Å; L317-M368 HydrophobicContact CD2-CG 3.69Å; L317-M368 HydrophobicContact CD2-SD 4.03Å; L366-M368 HydrophobicContact CD1-SD 4.33Å; L366-M368 HydrophobicContact CD2-CG 4.34Å; L366-M368 HydrophobicContact CD2-SD 3.82Å; L366-M368 HydrophobicContact CG-CG 4.25Å; L366-M368 HydrophobicContact CG-SD 3.96Å; M368-P370 VanDerWaalsContact C-N 3.35Å; M368-Y371 HydrophobicContact CE-CD2 3.96Å; M368-Y371 HydrophobicContact CE-CG 4.49Å; M368-Y371 WeakPolarHBondContact O-CB 3.47Å; M368-Y371 PolarHBondContact O-N 3.17Å; M368-Y371 HydrophobicContact SD-CD2 3.82Å; M368-Y371 HydrophobicContact SD-CE2 4.37Å; M368-L372 PolarHBondContact O-N 3.38Å; M368-Y414 HydrophobicContact CB-CD2 4.27Å; M368-Y414 HydrophobicContact CB-CE2 3.96Å; M368-Y414 HydrophobicContact CG-CD2 3.8Å; M368-Y414 HydrophobicContact CG-CE2 3.78Å
369	A	85.8	Confident	77.9	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-54.6	-40.7	-178.7	0	0	0	0	0	113.8	D367 Y371 L372 C375 P411	D367-A369 WeakPolarHBondContact OD1-CB 3.17Å; D367-A369 PolarHBondContact OD1-N 3.17Å; A369-Y371 PolarHBondContact O-N 2.83Å; A369-Y371 VanDerWaalsContact O-N 3.13Å; A369-L372 PolarHBondContact O-N 3.03Å; A369-C375 WeakPolarHBondContact O-CB 3.38Å; A369-P411 HydrophobicContact CB-CG 4.01Å
370	P	84.6	Confident	75.6	Confident	51 Å²	51	43.1 Å²	43.1	33%	0.331	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.4	-23.8	177.9	-24.2	35.4	0	0	0	114.3	D367 M368	D367-P370 WeakPolarHBondContact OD2-CD 3.49Å; M368-P370 VanDerWaalsContact C-N 3.35Å
371	Y	82.9	Confident	73	Confident	14 Å²	14	46 Å²	46	6%	0.055	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-94.8	-15.5	-174.9	-55.5	-52.2	0	0	0	113.1	L272 D273 L276 M368 A369	L272-Y371 HydrophobicContact CB-CE1 4.13Å; L272-Y371 HydrophobicContact CB-CE2 4.13Å; L272-Y371 HydrophobicContact CD1-CE2 4Å; D273-Y371 WeakPolarHBondContact OD1-CE1 3.34Å; D273-Y371 VanDerWaalsContact OD1-CZ 3.32Å; D273-Y371 PolarHBondContact OD1-OH 2.86Å; L276-Y371 HydrophobicContact CB-CD1 4.49Å; L276-Y371 HydrophobicContact CD1-CD1 3.21Å; L276-Y371 HydrophobicContact CD1-CD2 4.49Å; L276-Y371 HydrophobicContact CD1-CE1 4.03Å; L276-Y371 HydrophobicContact CD1-CG 3.49Å; L276-Y371 VanDerWaalsContact CD1-CG 3.49Å; L276-Y371 HydrophobicContact CG-CD1 4.46Å; M368-Y371 HydrophobicContact CE-CD2 3.96Å; M368-Y371 HydrophobicContact CE-CG 4.49Å; M368-Y371 WeakPolarHBondContact O-CB 3.47Å; M368-Y371 PolarHBondContact O-N 3.17Å; M368-Y371 HydrophobicContact SD-CD2 3.82Å; M368-Y371 HydrophobicContact SD-CE2 4.37Å; A369-Y371 PolarHBondContact O-N 2.83Å; A369-Y371 VanDerWaalsContact O-N 3.13Å
372	L	81	Confident	70.5	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.084	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-76.3	133.8	175.3	-63.7	-175.7	0	0	0	111.1	I310 T313 M368 A369 S374 C375 K376 P411	I310-L372 HydrophobicContact CB-CD2 4.3Å; I310-L372 HydrophobicContact CG2-CD2 3.75Å; I310-L372 WeakPolarHBondContact O-CA 3.46Å; T313-L372 HydrophobicContact CG2-CD2 4.03Å; M368-L372 PolarHBondContact O-N 3.38Å; A369-L372 PolarHBondContact O-N 3.03Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 3.27Å; L372-C375 PolarHBondContact O-N 3.12Å; L372-K376 PolarHBondContact O-N 3.14Å; L372-P411 HydrophobicContact CD1-CB 4.05Å; L372-P411 HydrophobicContact CD1-CG 3.21Å; L372-P411 HydrophobicContact CG-CG 4.44Å
373	L	68.7	Low	67.7	Low	13 Å²	13	52.7 Å²	52.7	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-40.5	179.4	-178.9	63.5	0	0	0	113.6	F196 L200 W309 I310 C375 K376 I377	F196-L373 HydrophobicContact CE1-CD1 3.9Å; F196-L373 HydrophobicContact CE1-CD2 3.6Å; F196-L373 HydrophobicContact CE1-CG 3.89Å; F196-L373 HydrophobicContact CE2-CD2 4.05Å; F196-L373 HydrophobicContact CZ-CD1 3.94Å; F196-L373 HydrophobicContact CZ-CD2 3.13Å; F196-L373 HydrophobicContact CZ-CG 3.9Å; L200-L373 HydrophobicContact CD1-CD2 3.44Å; L200-L373 VanDerWaalsContact CD1-CD2 3.44Å; L200-L373 HydrophobicContact CD1-CG 4.05Å; W309-L373 HydrophobicContact CG-CD1 4.38Å; I310-L373 PolarHBondContact O-N 3.49Å; L373-C375 PolarHBondContact O-N 3.48Å; L373-K376 PolarHBondContact O-N 2.64Å; L373-K376 VanDerWaalsContact O-N 3.13Å; L373-I377 PolarHBondContact O-N 3.01Å
374	S	58.4	Low	64.8	Low	45 Å²	45	55.3 Å²	55.3	32%	0.315	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-38.4	179.6	-53.6	0	0	0	0	112.2	L372 S378	L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 3.27Å; S374-S378 PolarHBondContact O-OG 3.38Å
375	C	51.3	Low	61.9	Low	34 Å²	34	59.9 Å²	59.9	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-78.1	-26.2	179.5	-63.2	0	0	0	0	113.5	A369 L372 L373	A369-C375 WeakPolarHBondContact O-CB 3.38Å; L372-C375 PolarHBondContact O-N 3.12Å; L373-C375 PolarHBondContact O-N 3.48Å
376	K	51.6	Low	58.8	Low	76 Å²	76	60.3 Å²	60.3	33%	0.33	35%	0.347	S	S	.	.	H	α-helix	trans	-70.2	-34.2	177.3	-77.7	-170.6	175	-178	0	112.8	L372 L373 T380	L372-K376 PolarHBondContact O-N 3.14Å; L373-K376 PolarHBondContact O-N 2.64Å; L373-K376 VanDerWaalsContact O-N 3.13Å; K376-T380 PolarHBondContact O-N 3.13Å; K376-T380 PolarHBondContact O-OG1 2.88Å
377	I	49.9	Very low	55.7	Low	53 Å²	53	65.4 Å²	65.4	27%	0.272	38%	0.378	S	S	.	.	H	α-helix	trans	-67.1	-45.9	179.4	-59.8	169.6	0	0	0	109.9	F196 L373 K379 T380 E381	F196-I377 HydrophobicContact CD1-CD1 4.01Å; F196-I377 HydrophobicContact CE1-CD1 3.91Å; L373-I377 PolarHBondContact O-N 3.01Å; I377-K379 VanDerWaalsContact C-N 3.32Å; I377-K379 PolarHBondContact O-N 2.92Å; I377-T380 PolarHBondContact O-N 3.49Å; I377-T380 VanDerWaalsContact O-N 3.12Å; I377-E381 HydrophobicContact CG2-CG 4.47Å; I377-E381 PolarHBondContact O-N 2.83Å; I377-E381 VanDerWaalsContact O-N 3.08Å
378	S	47.6	Very low	52.7	Low	62 Å²	62	69 Å²	69	43%	0.434	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-37.4	-179.3	-47	0	0	0	0	113.4	S374 E381 A382	S374-S378 PolarHBondContact O-OG 3.38Å; S378-E381 PolarHBondContact O-N 2.98Å; S378-A382 PolarHBondContact O-N 3.43Å
379	K	43.3	Very low	50.3	Low	145 Å²	145	74.7 Å²	74.7	63%	0.63	43%	0.434	S	S	*	.	H	α-helix	trans	-68.7	-35.2	176.9	-71.6	-175.9	179.9	179.6	0	113.3	I377 L383	I377-K379 VanDerWaalsContact C-N 3.32Å; I377-K379 PolarHBondContact O-N 2.92Å; K379-L383 PolarHBondContact O-N 3.4Å
380	T	43.2	Very low	47.6	Very low	98 Å²	98	83.7 Å²	83.7	60%	0.601	47%	0.468	S	S	*	.	H	α-helix	trans	-73.7	-35.9	179	-50.2	0	0	0	0	110.6	K376 I377 L383 S384	K376-T380 PolarHBondContact O-N 3.13Å; K376-T380 PolarHBondContact O-OG1 2.88Å; I377-T380 PolarHBondContact O-N 3.49Å; I377-T380 VanDerWaalsContact O-N 3.12Å; T380-L383 PolarHBondContact O-N 3.27Å; T380-S384 WeakPolarHBondContact O-CB 3.3Å; T380-S384 PolarHBondContact O-N 3.46Å; T380-S384 PolarHBondContact O-OG 3.38Å
381	E	38.4	Very low	45	Very low	60 Å²	60	87.8 Å²	87.8	28%	0.28	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-42.6	176.6	-68.9	-171	-176	0	0	112	R197 I377 S378 L383 S384 Q385	R197-E381 IonicContact CZ-OE1 3.43Å; R197-E381 IonicContact NE-OE1 2.76Å; R197-E381 PolarHBondContact NE-OE1 3.36Å; R197-E381 IonicContact NH2-OE1 2.91Å; R197-E381 PolarHBondContact NH2-OE1 2.99Å; R197-E381 IonicContact NH2-OE2 2.77Å; R197-E381 PolarHBondContact NH2-OE2 3.47Å; I377-E381 HydrophobicContact CG2-CG 4.47Å; I377-E381 PolarHBondContact O-N 2.83Å; I377-E381 VanDerWaalsContact O-N 3.08Å; S378-E381 PolarHBondContact O-N 2.98Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 3.23Å; E381-S384 WeakPolarHBondContact CA-OG 3.33Å; E381-S384 PolarHBondContact O-N 2.89Å; E381-S384 VanDerWaalsContact O-N 3.1Å; E381-S384 PolarHBondContact O-OG 2.79Å; E381-Q385 WeakPolarHBondContact O-CG 3.37Å; E381-Q385 PolarHBondContact O-N 3.35Å
382	A	39.7	Very low	42.4	Very low	65 Å²	65	94.6 Å²	94.6	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-37.7	173.9	0	0	0	0	0	112.8	S378 A386	S378-A382 PolarHBondContact O-N 3.43Å; A382-A386 PolarHBondContact O-N 3.48Å
383	L	35.7	Very low	40	Very low	142 Å²	142	102.4 Å²	102.4	74%	0.743	56%	0.558	S	S	*	*	H	α-helix	trans	-72.9	-33.8	174.6	-122.3	84.5	0	0	0	112.8	K379 T380 E381	K379-L383 PolarHBondContact O-N 3.4Å; T380-L383 PolarHBondContact O-N 3.27Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 3.23Å
384	S	32.2	Very low	38.2	Very low	76 Å²	76	109.1 Å²	109.1	53%	0.531	59%	0.594	S	S	.	*	H	α-helix	trans	-77.8	-24.9	179.7	70.4	0	0	0	0	113.8	T380 E381	T380-S384 WeakPolarHBondContact O-CB 3.3Å; T380-S384 PolarHBondContact O-N 3.46Å; T380-S384 PolarHBondContact O-OG 3.38Å; E381-S384 WeakPolarHBondContact CA-OG 3.33Å; E381-S384 PolarHBondContact O-N 2.89Å; E381-S384 VanDerWaalsContact O-N 3.1Å; E381-S384 PolarHBondContact O-OG 2.79Å
385	Q	32.5	Very low	36.9	Very low	152 Å²	152	112.6 Å²	112.6	71%	0.71	62%	0.618	S	S	*	*	H	α-helix	trans	-84.1	-15.4	175.8	-73.7	-179.9	-0.1	0	0	113.2	E381 V387	E381-Q385 WeakPolarHBondContact O-CG 3.37Å; E381-Q385 PolarHBondContact O-N 3.35Å; Q385-V387 PolarHBondContact O-N 3.07Å
386	A	31.6	Very low	35.9	Very low	83 Å²	83	120.9 Å²	120.9	69%	0.686	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-1	177.2	0	0	0	0	0	114.4	A382	A382-A386 PolarHBondContact O-N 3.48Å
387	V	29.2	Very low	35	Very low	106 Å²	106	120.8 Å²	120.8	64%	0.642	67%	0.674	S	S	*	*			trans	-125.5	73.4	179.4	-168.5	0	0	0	0	110.7	Q385	Q385-V387 PolarHBondContact O-N 3.07Å
388	N	28.6	Very low	34.1	Very low	151 Å²	151	124.6 Å²	124.6	81%	0.807	69%	0.694	S	S	*	*			trans	-148.8	86	151.4	-97.2	-35	0	0	0	109.7	Y390	N388-Y390 VanDerWaalsContact C-N 3.27Å; N388-Y390 PolarHBondContact O-N 3.33Å
389	P	40.1	Very low	33.3	Very low	120 Å²	120	128.7 Å²	128.7	78%	0.779	71%	0.711	S	S	*	*			trans	-86	65.8	170.6	34.7	-30.9	0	0	0	109.9
390	Y	29.7	Very low	32.8	Very low	196 Å²	196	126.5 Å²	126.5	77%	0.769	71%	0.713	S	S	*	*	S	Bend	trans	-169.1	124.2	158.7	-136	-106	0	0	0	112.1	N388	N388-Y390 VanDerWaalsContact C-N 3.27Å; N388-Y390 PolarHBondContact O-N 3.33Å
391	N	29.4	Very low	32.1	Very low	136 Å²	136	126.9 Å²	126.9	73%	0.727	71%	0.712	S	S	*	*			trans	66.1	122.8	173.1	-57.2	-17.1	0	0	0	114.9
392	D	29.4	Very low	31.8	Very low	157 Å²	157	127.6 Å²	127.6	84%	0.84	72%	0.72	S	S	*	*			cis	-158.6	148.4	45.8	-150.8	-10.7	0	0	0	110.6
393	K	29.6	Very low	31.5	Very low	181 Å²	181	127.7 Å²	127.7	79%	0.787	72%	0.717	S	S	*	*			trans	-72.7	145.3	174.7	-70.5	174.8	175.4	177.8	0	108.5
394	N	31.1	Very low	31.2	Very low	153 Å²	153	128 Å²	128	82%	0.818	72%	0.715	S	S	*	*			trans	96.8	76.5	173.2	-50.2	-18.2	0	0	0	115.3
395	S	31.6	Very low	31.2	Very low	119 Å²	119	130 Å²	130	83%	0.832	72%	0.719	S	S	*	*			trans	-159.6	59.9	151.4	-70.3	0	0	0	0	109.5	G397	S395-G397 PolarHBondContact O-N 3.15Å
396	E	30.7	Very low	31.4	Very low	208 Å²	208	128.5 Å²	128.5	97%	0.972	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	105.5	160.6	-70.9	-178.2	163.3	0	0	107.1
397	G	31.9	Very low	31.8	Very low	74 Å²	74	131.9 Å²	131.9	76%	0.763	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.1	-2.3	168.6	0	0	0	0	0	120	S395	S395-G397 PolarHBondContact O-N 3.15Å
398	L	30.2	Very low	32.6	Very low	132 Å²	132	136.6 Å²	136.6	69%	0.691	72%	0.723	S	S	*	*	S	Bend	trans	-133.5	42.5	-175.3	-157.5	80.3	0	0	0	114.2
399	L	32.4	Very low	33.7	Very low	149 Å²	149	135.9 Å²	135.9	78%	0.78	72%	0.719	S	S	*	*	S	Bend	trans	-119.6	-0.3	173.2	-70.7	177.6	0	0	0	114.1
400	S	31.6	Very low	34.7	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	71%	0.705	S	S	*	*	S	Bend	trans	-85.4	-38.5	177.4	-52.8	0	0	0	0	112.5	T402	S400-T402 PolarHBondContact O-N 3.01Å
401	D	29.3	Very low	36.6	Very low	106 Å²	106	125.4 Å²	125.4	57%	0.567	68%	0.676	S	S	*	*	H	α-helix	trans	-77.6	-19.7	-173.1	-70.5	-6.3	0	0	0	114.2	L405	D401-L405 PolarHBondContact O-N 3.47Å
402	T	32.5	Very low	39.2	Very low	75 Å²	75	123.9 Å²	123.9	46%	0.46	66%	0.663	S	S	.	*	H	α-helix	trans	-75.6	-24.5	179.2	49.8	0	0	0	0	112.8	S400 L406	S400-T402 PolarHBondContact O-N 3.01Å; T402-L406 WeakPolarHBondContact O-CB 3.41Å; T402-L406 WeakPolarHBondContact O-CD1 3.46Å; T402-L406 WeakPolarHBondContact O-CG 3.45Å; T402-L406 PolarHBondContact O-N 3.42Å
403	S	31.8	Very low	42.1	Very low	67 Å²	67	118.9 Å²	118.9	47%	0.469	64%	0.639	S	S	.	*	H	α-helix	trans	-72.5	-39.9	179.4	-160.6	0	0	0	0	111.5	L406 E407	S403-L406 PolarHBondContact O-N 2.83Å; S403-E407 PolarHBondContact O-N 2.93Å
404	E	30.4	Very low	45.3	Very low	148 Å²	148	110.3 Å²	110.3	69%	0.692	60%	0.602	S	S	*	*	H	α-helix	trans	-71.8	-34.5	179.8	-67.2	-171.7	170.1	0	0	112.7	R408	E404-R408 PolarHBondContact O-N 3.38Å
405	L	32.5	Very low	48.3	Very low	119 Å²	119	103 Å²	103	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-69.2	-32.5	173.8	-70.2	174.4	0	0	0	112.5	D401	D401-L405 PolarHBondContact O-N 3.47Å
406	L	36.5	Very low	51.5	Low	120 Å²	120	97.4 Å²	97.4	63%	0.628	52%	0.524	S	S	*	.	H	α-helix	trans	-71.1	-29.8	177.7	-75.1	169.8	0	0	0	113	T402 S403	T402-L406 WeakPolarHBondContact O-CB 3.41Å; T402-L406 WeakPolarHBondContact O-CD1 3.46Å; T402-L406 WeakPolarHBondContact O-CG 3.45Å; T402-L406 PolarHBondContact O-N 3.42Å; S403-L406 PolarHBondContact O-N 2.83Å
407	E	39.7	Very low	54.6	Low	155 Å²	155	88.1 Å²	88.1	72%	0.724	48%	0.48	S	S	*	.	H	α-helix	trans	-76.3	-27	178	-72.9	-175.5	-177.1	0	0	113	S403	S403-E407 PolarHBondContact O-N 2.93Å
408	R	44.8	Very low	57.8	Low	204 Å²	204	84.6 Å²	84.6	77%	0.77	44%	0.443	S	S	*	.	H	α-helix	trans	-77.7	-26	-174.5	-129.3	171.1	85.8	152.4	6.8	114.7	E404	E404-R408 PolarHBondContact O-N 3.38Å
409	D	53	Low	61.1	Low	136 Å²	136	78.3 Å²	78.3	73%	0.727	41%	0.41	S	S	*	.	S	Bend	trans	-105.1	1.6	-170.7	-72.4	-19.6	0	0	0	114.7	P411	D409-P411 WeakPolarHBondContact O-CD 3.21Å
410	C	60.1	Low	64.2	Low	71 Å²	71	71.2 Å²	71.2	48%	0.48	37%	0.373	S	S	.	.	S	Bend	trans	-70.4	123.6	174.3	-163.3	0	0	0	0	109.7	K412	C410-K412 PolarHBondContact O-N 3.4Å
411	P	70.5	Confident	67.3	Low	26 Å²	26	66.6 Å²	66.6	17%	0.169	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.4	129.4	179.4	0.6	5.9	0	0	0	109.9	A369 L372 D409	A369-P411 HydrophobicContact CB-CG 4.01Å; L372-P411 HydrophobicContact CD1-CB 4.05Å; L372-P411 HydrophobicContact CD1-CG 3.21Å; L372-P411 HydrophobicContact CG-CG 4.44Å; D409-P411 WeakPolarHBondContact O-CD 3.21Å
412	K	83.2	Confident	70.3	Confident	104 Å²	104	61.9 Å²	61.9	45%	0.452	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-58	148.9	175.5	-67.4	-178.2	179.1	179.5	0	111.2	C410 R509 L510	C410-K412 PolarHBondContact O-N 3.4Å; K412-R509 HydrophobicContact CB-CG 4.05Å; K412-L510 WeakPolarHBondContact CB-O 3.15Å; K412-L510 WeakPolarHBondContact CD-O 3.29Å
413	P	91.4	Very high	73	Confident	52 Å²	52	62.8 Å²	62.8	34%	0.338	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.5	159.8	177.3	29.1	-34.6	0	0	0	110.8	L510	P413-L510 HydrophobicContact CG-CD1 4.09Å; P413-L510 PolarHBondContact O-N 3Å
414	Y	95.3	Very high	75.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	153	173.6	-69.2	-100.8	0	0	0	110.8	T313 P314 L317 F365 L366 M368 E508 R509	T313-Y414 WeakPolarHBondContact CB-OH 3.36Å; T313-Y414 PolarHBondContact O-OH 3.21Å; T313-Y414 PolarHBondContact OG1-OH 2.92Å; P314-Y414 WeakPolarHBondContact O-CE1 3.4Å; P314-Y414 PolarHBondContact O-OH 2.9Å; L317-Y414 HydrophobicContact CB-CD1 3.62Å; L317-Y414 HydrophobicContact CB-CE1 3.47Å; L317-Y414 VanDerWaalsContact CB-CE1 3.47Å; L317-Y414 HydrophobicContact CB-CG 4.43Å; L317-Y414 HydrophobicContact CD2-CD1 4.07Å; L317-Y414 HydrophobicContact CD2-CD2 4.11Å; L317-Y414 HydrophobicContact CD2-CE1 4.21Å; L317-Y414 HydrophobicContact CD2-CE2 4.25Å; L317-Y414 HydrophobicContact CD2-CG 4.04Å; L317-Y414 HydrophobicContact CG-CE1 4.47Å; F365-Y414 CarbonylContact C-O 3.58Å; F365-Y414 VanDerWaalsContact CA-O 3.24Å; F365-Y414 WeakPolarHBondContact CA-O 3.5Å; L366-Y414 PolarHBondContact N-O 2.86Å; L366-Y414 PolarHBondContact O-N 3.28Å; M368-Y414 HydrophobicContact CB-CD2 4.27Å; M368-Y414 HydrophobicContact CB-CE2 3.96Å; M368-Y414 HydrophobicContact CG-CD2 3.8Å; M368-Y414 HydrophobicContact CG-CE2 3.78Å; Y414-E508 CarbonylContact C-O 3.33Å; Y414-E508 VanDerWaalsContact CA-O 3.27Å; Y414-E508 WeakPolarHBondContact CA-O 3.1Å; Y414-E508 VanDerWaalsContact CD1-C 3.45Å; Y414-R509 HydrophobicContact CD1-CB 3.97Å; Y414-R509 VanDerWaalsContact CD1-N 3.25Å; Y414-R509 HydrophobicContact CE1-CB 3.66Å
415	V	95.6	Very high	77.6	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.3	170.6	61.1	0	0	0	0	110.1	E364 F365 R417 Y507 E508 L510	E364-V415 HydrophobicContact CG-CG2 4.41Å; E364-V415 CarbonylContact O-C 3.41Å; E364-V415 WeakPolarHBondContact O-CA 3.4Å; F365-V415 HydrophobicContact CD1-CB 4.13Å; F365-V415 HydrophobicContact CD1-CG2 4.25Å; F365-V415 HydrophobicContact CE1-CB 4.07Å; F365-V415 HydrophobicContact CE1-CG2 3.89Å; F365-V415 HydrophobicContact CZ-CG2 4.42Å; V415-R417 PolarHBondContact O-N 2.91Å; V415-Y507 VanDerWaalsContact C-CD1 3.43Å; V415-Y507 CarbonylContact O-C 3.6Å; V415-Y507 WeakPolarHBondContact O-CA 3.44Å; V415-E508 WeakPolarHBondContact CG1-O 3.35Å; V415-E508 PolarHBondContact N-O 2.85Å; V415-E508 PolarHBondContact O-N 3.31Å; V415-L510 HydrophobicContact CB-CD2 3.8Å; V415-L510 HydrophobicContact CB-CG 4.33Å; V415-L510 HydrophobicContact CG1-CD2 3.45Å; V415-L510 VanDerWaalsContact CG1-CD2 3.45Å; V415-L510 HydrophobicContact CG1-CG 4.26Å
416	L	97.6	Very high	79.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.1	177.4	-169.8	69.2	0	0	0	109.6	I362 E364 V419 K437 W481 F494 V497 L505 Y507	I362-L416 HydrophobicContact CG2-CD1 4.45Å; I362-L416 HydrophobicContact CG2-CD2 4.11Å; E364-L416 PolarHBondContact O-N 2.77Å; L416-V419 HydrophobicContact CD1-CG2 3.97Å; L416-V419 HydrophobicContact CD2-CG2 3.66Å; L416-V419 HydrophobicContact CG-CG2 4.1Å; L416-K437 VanDerWaalsContact O-CD 3.31Å; L416-K437 WeakPolarHBondContact O-CD 3.46Å; L416-K437 WeakPolarHBondContact O-CE 3.29Å; L416-K437 PolarHBondContact O-NZ 2.98Å; L416-W481 HydrophobicContact CB-CH2 4.24Å; L416-W481 HydrophobicContact CD2-CH2 3.81Å; L416-W481 HydrophobicContact CD2-CZ2 4.27Å; L416-W481 HydrophobicContact CG-CH2 3.83Å; L416-W481 HydrophobicContact CG-CZ2 4.49Å; L416-F494 HydrophobicContact CD2-CE2 4.33Å; L416-V497 HydrophobicContact CD2-CG1 4.42Å; L416-L505 HydrophobicContact CD1-CB 4.2Å; L416-L505 HydrophobicContact CD1-CD2 4.24Å; L416-Y507 HydrophobicContact CB-CD1 4.09Å; L416-Y507 HydrophobicContact CB-CE1 3.66Å; L416-Y507 HydrophobicContact CD1-CD1 4.29Å; L416-Y507 HydrophobicContact CD1-CD2 3.97Å; L416-Y507 HydrophobicContact CD1-CE1 3.88Å; L416-Y507 HydrophobicContact CD1-CE2 3.55Å; L416-Y507 HydrophobicContact CD1-CG 4.32Å; L416-Y507 VanDerWaalsContact CD1-CZ 3.49Å; L416-Y507 HydrophobicContact CG-CE1 4.35Å
417	R	97.1	Very high	81.2	Confident	12 Å²	12	55 Å²	55	5%	0.045	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-37.6	179.8	-67.9	-56.1	-167.6	-148.1	-3.5	112.4	A69 V415 R436 K437 F506 E508 D514 F518	A69-R417 WeakPolarHBondContact O-CB 3.5Å; V415-R417 PolarHBondContact O-N 2.91Å; R417-R436 CarbonylContact O-C 3.43Å; R417-R436 WeakPolarHBondContact O-CA 3.45Å; R417-K437 PolarHBondContact O-N 2.9Å; R417-F506 PolarHBondContact N-O 3.22Å; R417-E508 HydrophobicContact CG-CB 3.64Å; R417-E508 IonicContact CZ-OE2 2.83Å; R417-E508 VanDerWaalsContact CZ-OE2 3.27Å; R417-E508 IonicContact NE-OE2 3.46Å; R417-E508 PolarHBondContact NE-OE2 3.36Å; R417-E508 IonicContact NH2-OE2 2.66Å; R417-E508 PolarHBondContact NH2-OE2 3.42Å; R417-D514 IonicContact NH2-OD2 2.97Å; R417-D514 PolarHBondContact NH2-OD2 3.2Å; R417-F518 VanDerWaalsContact NH1-CE2 3.27Å
418	S	98.3	Very high	82.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.1	175.6	56	0	0	0	0	112.7	A66 Y435 F506	A66-S418 VanDerWaalsContact CA-OG 3.3Å; A66-S418 WeakPolarHBondContact CA-OG 3.38Å; A66-S418 WeakPolarHBondContact CB-OG 3.47Å; A66-S418 PolarHBondContact O-OG 3.14Å; S418-Y435 CarbonylContact C-O 2.88Å; S418-Y435 WeakPolarHBondContact CA-O 3.33Å; S418-Y435 VanDerWaalsContact CB-O 3.27Å; S418-Y435 WeakPolarHBondContact CB-O 3.28Å; S418-F506 PolarHBondContact N-O 3.13Å; S418-F506 PolarHBondContact O-N 3.31Å; S418-F506 VanDerWaalsContact OG-CB 3.27Å; S418-F506 WeakPolarHBondContact OG-CB 3.37Å
419	V	98.3	Very high	84.2	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.7	178.4	179.4	0	0	0	0	107.9	L416 V421 T434 Y435 V497 A502 L504 L505	L416-V419 HydrophobicContact CD1-CG2 3.97Å; L416-V419 HydrophobicContact CD2-CG2 3.66Å; L416-V419 HydrophobicContact CG-CG2 4.1Å; V419-V421 HydrophobicContact CG1-CG2 4.07Å; V419-T434 WeakPolarHBondContact O-CA 3.31Å; V419-Y435 PolarHBondContact N-O 3.46Å; V419-Y435 PolarHBondContact O-N 3.16Å; V419-V497 HydrophobicContact CB-CG1 4.25Å; V419-V497 HydrophobicContact CG2-CG1 3.72Å; V419-A502 HydrophobicContact CG1-CB 3.49Å; V419-A502 VanDerWaalsContact CG1-CB 3.49Å; V419-L504 CarbonylContact C-O 3.55Å; V419-L504 WeakPolarHBondContact CA-O 3.47Å; V419-L505 HydrophobicContact CB-CD2 4.31Å; V419-L505 HydrophobicContact CG1-CD2 3.91Å; V419-L505 HydrophobicContact CG2-CD2 3.73Å
420	I	98.1	Very high	85.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.6	167.7	-57.9	-178.2	0	0	0	107.7	A62 L63 A66 A140 Y432 I433 Y503 L504 F506	A62-I420 HydrophobicContact CB-CG2 4.19Å; L63-I420 HydrophobicContact CB-CD1 4.33Å; L63-I420 HydrophobicContact CD1-CD1 3.91Å; A66-I420 HydrophobicContact CB-CD1 3.71Å; A66-I420 HydrophobicContact CB-CG1 3.62Å; A140-I420 HydrophobicContact CB-CD1 4.48Å; I420-Y432 HydrophobicContact CG2-CD1 3.78Å; I420-Y432 HydrophobicContact CG2-CE1 4.47Å; I420-I433 WeakPolarHBondContact CA-O 3.27Å; I420-Y503 HydrophobicContact CG2-CD1 4.44Å; I420-Y503 WeakPolarHBondContact O-CA 3.39Å; I420-Y503 VanDerWaalsContact O-CB 3.29Å; I420-Y503 WeakPolarHBondContact O-CB 3.2Å; I420-Y503 PolarHBondContact O-N 3.19Å; I420-L504 HydrophobicContact CB-CB 4.07Å; I420-L504 HydrophobicContact CD1-CB 4.26Å; I420-L504 HydrophobicContact CD1-CD1 3.9Å; I420-L504 HydrophobicContact CG1-CB 4.33Å; I420-L504 PolarHBondContact N-O 3.32Å; I420-L504 PolarHBondContact O-N 3.47Å; I420-F506 HydrophobicContact CD1-CE2 3.85Å; I420-F506 HydrophobicContact CG1-CE2 4.21Å
421	V	96.1	Very high	87.3	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.7	174.1	174.3	0	0	0	0	108.5	V419 E423 Y432 I433 Y435 P501	V419-V421 HydrophobicContact CG1-CG2 4.07Å; V421-E423 HydrophobicContact CG1-CG 4.19Å; V421-Y432 WeakPolarHBondContact O-CA 3.48Å; V421-I433 HydrophobicContact CB-CD1 4.22Å; V421-I433 HydrophobicContact CB-CG1 3.74Å; V421-I433 HydrophobicContact CG1-CD1 4.37Å; V421-I433 HydrophobicContact CG1-CG1 4.26Å; V421-I433 PolarHBondContact N-O 3.48Å; V421-I433 PolarHBondContact O-N 3.43Å; V421-Y435 HydrophobicContact CG2-CD2 3.98Å; V421-Y435 HydrophobicContact CG2-CE2 3.84Å; V421-P501 HydrophobicContact CG1-CG 3.79Å
422	H	93.3	Very high	88.5	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.6	170.3	-178.4	-132.7	0	0	0	108.8	K355 F426 G430 Y432 Y503	K355-H422 PolarHBondContact NZ-ND1 3.2Å; K355-H422 PolarHBondContact NZ-O 3.07Å; H422-F426 PolarHBondContact CE1-O 3.43Å; H422-G430 WeakPolarHBondContact NE2-CA 3.44Å; H422-Y432 HydrophobicContact CB-CD1 4Å; H422-Y432 HydrophobicContact CB-CE1 3.72Å; H422-Y432 AromaticContact CD2-CD2 3.69Å; H422-Y432 AromaticContact CD2-CE1 3.89Å; H422-Y432 AromaticContact CD2-CE2 3.43Å; H422-Y432 VanDerWaalsContact CD2-CE2 3.43Å; H422-Y432 WeakPolarHBondContact CD2-CE2 3.35Å; H422-Y432 AromaticContact CD2-CZ 3.55Å; H422-Y432 AromaticContact CG-CE1 3.92Å; H422-Y432 AromaticContact CG-CZ 3.83Å; H422-Y432 AromaticContact NE2-CE2 3.82Å; H422-Y503 HydrophobicContact CB-CG 4.34Å
423	E	89.2	Confident	89.1	Confident	94 Å²	94	37.6 Å²	37.6	44%	0.439	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.4	174.4	-60.2	-173.6	145.6	0	0	109.6	V421 G430 H431 I433	V421-E423 HydrophobicContact CG1-CG 4.19Å; E423-G430 CarbonylContact O-C 3.51Å; E423-G430 WeakPolarHBondContact O-CA 3.31Å; E423-H431 PolarHBondContact N-O 3.41Å; E423-H431 PolarHBondContact O-N 3.44Å; E423-I433 HydrophobicContact CG-CD1 4.22Å; E423-I433 WeakPolarHBondContact OE1-CD1 3.49Å
424	G	84.3	Confident	89.5	Confident	41 Å²	41	35.1 Å²	35.1	42%	0.423	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134.2	152.3	-179.2	0	0	0	0	0	112.7	K355	K355-G424 WeakPolarHBondContact CD-O 3.46Å; K355-G424 PolarHBondContact NZ-O 3.39Å
425	A	74.8	Confident	89.6	Confident	71 Å²	71	36.2 Å²	36.2	59%	0.587	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-22.6	-175.7	0	0	0	0	0	113.3	K355	K355-A425 WeakPolarHBondContact CB-O 3.35Å
426	F	74.5	Confident	89.7	Confident	130 Å²	130	36.3 Å²	36.3	57%	0.57	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.1	-175.4	-55.4	-75	0	0	0	110.4	H422 Q428 C429	H422-F426 PolarHBondContact CE1-O 3.43Å; F426-Q428 PolarHBondContact O-N 2.61Å; F426-C429 HydrophobicContact CB-CB 4.38Å; F426-C429 CarbonylContact O-C 3.44Å; F426-C429 PolarHBondContact O-N 3.5Å
427	H	69.8	Low	89.6	Confident	49 Å²	49	37.2 Å²	37.2	23%	0.227	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.3	173.7	-70	-80.1	0	0	0	112.8	S324 K355	S324-H427 WeakPolarHBondContact CA-NE2 3.25Å; S324-H427 PolarHBondContact OG-CE1 2.79Å; S324-H427 PolarHBondContact OG-NE2 2.99Å; S324-H427 VanDerWaalsContact OG-NE2 3.15Å; K355-H427 WeakPolarHBondContact CB-NE2 3.36Å
428	Q	70.6	Confident	89.4	Confident	177 Å²	177	37 Å²	37	83%	0.827	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.1	-178.6	-61.1	173.4	-11.2	0	0	113.4	Q137 F426	Q137-Q428 PolarHBondContact OE1-O 3.5Å; F426-Q428 PolarHBondContact O-N 2.61Å
429	C	76.3	Confident	88.6	Confident	77 Å²	77	40.9 Å²	40.9	52%	0.52	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	103.3	-178.8	-175.3	0	0	0	0	109.9	Q137 F426	Q137-C429 VanDerWaalsContact OE1-N 3.1Å; F426-C429 HydrophobicContact CB-CB 4.38Å; F426-C429 CarbonylContact O-C 3.44Å; F426-C429 PolarHBondContact O-N 3.5Å
430	G	86.4	Confident	87.1	Confident	17 Å²	17	44.2 Å²	44.2	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-169.2	174.7	0	0	0	0	0	114.4	Q137 H422 E423	Q137-G430 PolarHBondContact NE2-O 3.26Å; H422-G430 WeakPolarHBondContact NE2-CA 3.44Å; E423-G430 CarbonylContact O-C 3.51Å; E423-G430 WeakPolarHBondContact O-CA 3.31Å
431	H	92.4	Very high	85.3	Confident	47 Å²	47	45.6 Å²	45.6	22%	0.218	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.2	-180	-175.5	49.2	0	0	0	109.9	C58 E423 S485 D486	C58-H431 WeakPolarHBondContact CB-ND1 3.26Å; E423-H431 PolarHBondContact N-O 3.41Å; E423-H431 PolarHBondContact O-N 3.44Å; H431-S485 PolarHBondContact NE2-OG 3.41Å; H431-D486 IonicContact CE1-OD2 3.82Å; H431-D486 PolarHBondContact CE1-OD2 3.5Å; H431-D486 VanDerWaalsContact CE1-OD2 3.26Å
432	Y	95.5	Very high	82.9	Confident	8 Å²	8	53.8 Å²	53.8	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.7	177.7	-74.1	-92.6	0	0	0	110.2	A140 I420 V421 H422 Y503	A140-Y432 HydrophobicContact CB-CD1 4.15Å; A140-Y432 HydrophobicContact CB-CE1 3.9Å; I420-Y432 HydrophobicContact CG2-CD1 3.78Å; I420-Y432 HydrophobicContact CG2-CE1 4.47Å; V421-Y432 WeakPolarHBondContact O-CA 3.48Å; H422-Y432 HydrophobicContact CB-CD1 4Å; H422-Y432 HydrophobicContact CB-CE1 3.72Å; H422-Y432 AromaticContact CD2-CD2 3.69Å; H422-Y432 AromaticContact CD2-CE1 3.89Å; H422-Y432 AromaticContact CD2-CE2 3.43Å; H422-Y432 VanDerWaalsContact CD2-CE2 3.43Å; H422-Y432 WeakPolarHBondContact CD2-CE2 3.35Å; H422-Y432 AromaticContact CD2-CZ 3.55Å; H422-Y432 AromaticContact CG-CE1 3.92Å; H422-Y432 AromaticContact CG-CZ 3.83Å; H422-Y432 AromaticContact NE2-CE2 3.82Å; Y432-Y503 AromaticContact CE1-CD1 3.83Å; Y432-Y503 HydrophobicContact CE1-CD1 3.83Å; Y432-Y503 AromaticContact CE1-CE1 3.85Å; Y432-Y503 HydrophobicContact CE1-CE1 3.85Å
433	I	96.8	Very high	80.8	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	161.7	173.5	64.6	176.7	0	0	0	109.6	I420 V421 E423 Y435 L483	I420-I433 WeakPolarHBondContact CA-O 3.27Å; V421-I433 HydrophobicContact CB-CD1 4.22Å; V421-I433 HydrophobicContact CB-CG1 3.74Å; V421-I433 HydrophobicContact CG1-CD1 4.37Å; V421-I433 HydrophobicContact CG1-CG1 4.26Å; V421-I433 PolarHBondContact N-O 3.48Å; V421-I433 PolarHBondContact O-N 3.43Å; E423-I433 HydrophobicContact CG-CD1 4.22Å; E423-I433 WeakPolarHBondContact OE1-CD1 3.49Å; I433-Y435 HydrophobicContact CD1-CE2 4.07Å; I433-L483 HydrophobicContact CB-CD1 3.94Å; I433-L483 HydrophobicContact CD1-CD1 3.82Å; I433-L483 HydrophobicContact CG1-CD1 4.15Å
434	T	98.4	Very high	78.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.7	178.1	-68.2	0	0	0	0	111.8	A62 Q65 A66 V419 R436 T484	A62-T434 VanDerWaalsContact C-OG1 3.28Å; A62-T434 WeakPolarHBondContact CA-OG1 3.5Å; A62-T434 VanDerWaalsContact CB-OG1 3.25Å; A62-T434 WeakPolarHBondContact CB-OG1 3.26Å; A62-T434 PolarHBondContact O-OG1 2.96Å; Q65-T434 HydrophobicContact CB-CG2 3.98Å; A66-T434 HydrophobicContact CB-CG2 3.84Å; V419-T434 WeakPolarHBondContact O-CA 3.31Å; T434-R436 HydrophobicContact CG2-CB 4.21Å; T434-T484 WeakPolarHBondContact CB-OG1 3.47Å; T434-T484 PolarHBondContact N-O 3.33Å; T434-T484 PolarHBondContact O-N 2.9Å; T434-T484 PolarHBondContact O-OG1 3.27Å
435	Y	98.1	Very high	76.3	Confident	22 Å²	22	61.9 Å²	61.9	9%	0.086	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.2	161.4	-61.4	-80.4	0	0	0	108.7	S418 V419 V421 I433 I482 L483 V492 H496 V497	S418-Y435 CarbonylContact C-O 2.88Å; S418-Y435 WeakPolarHBondContact CA-O 3.33Å; S418-Y435 VanDerWaalsContact CB-O 3.27Å; S418-Y435 WeakPolarHBondContact CB-O 3.28Å; V419-Y435 PolarHBondContact N-O 3.46Å; V419-Y435 PolarHBondContact O-N 3.16Å; V421-Y435 HydrophobicContact CG2-CD2 3.98Å; V421-Y435 HydrophobicContact CG2-CE2 3.84Å; I433-Y435 HydrophobicContact CD1-CE2 4.07Å; Y435-I482 CarbonylContact C-O 3.56Å; Y435-I482 VanDerWaalsContact CA-O 3.28Å; Y435-I482 WeakPolarHBondContact CA-O 3.16Å; Y435-L483 HydrophobicContact CD1-CB 4Å; Y435-L483 HydrophobicContact CD1-CD1 4.03Å; Y435-L483 HydrophobicContact CE1-CB 3.86Å; Y435-L483 HydrophobicContact CE1-CD1 3.72Å; Y435-L483 HydrophobicContact CE1-CD2 4.23Å; Y435-L483 HydrophobicContact CE1-CG 4.14Å; Y435-L483 HydrophobicContact CE2-CD1 4.31Å; Y435-L483 HydrophobicContact CG-CD1 4.48Å; Y435-V492 HydrophobicContact CD1-CG2 3.84Å; Y435-V492 HydrophobicContact CE1-CG2 4.05Å; Y435-H496 HydrophobicContact CE1-CB 4.34Å; Y435-V497 HydrophobicContact CD1-CG2 3.83Å; Y435-V497 HydrophobicContact CG-CB 4.42Å; Y435-V497 HydrophobicContact CG-CG1 4.3Å; Y435-V497 HydrophobicContact CG-CG2 3.97Å
436	R	97.4	Very high	74.4	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.015	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.9	178.1	62.2	178	-76.2	-168.3	2.2	111.9	Q65 A68 A69 L99 R417 T434 W481 I482	Q65-R436 VanDerWaalsContact O-CD 3.27Å; Q65-R436 WeakPolarHBondContact O-CD 3.43Å; Q65-R436 PolarHBondContact O-NE 2.94Å; Q65-R436 PolarHBondContact O-NH1 3.44Å; A68-R436 PolarHBondContact O-NH2 2.91Å; A69-R436 HydrophobicContact CB-CB 3.72Å; A69-R436 HydrophobicContact CB-CG 4.48Å; L99-R436 PolarHBondContact O-NH1 3.5Å; L99-R436 PolarHBondContact O-NH2 2.76Å; L99-R436 VanDerWaalsContact O-NH2 3.16Å; R417-R436 CarbonylContact O-C 3.43Å; R417-R436 WeakPolarHBondContact O-CA 3.45Å; T434-R436 HydrophobicContact CG2-CB 4.21Å; R436-W481 VanDerWaalsContact C-CE3 3.4Å; R436-I482 HydrophobicContact CG-CD1 3.73Å; R436-I482 HydrophobicContact CG-CG1 3.46Å; R436-I482 VanDerWaalsContact CG-CG1 3.46Å; R436-I482 PolarHBondContact N-O 3.44Å; R436-I482 WeakPolarHBondContact O-CG1 3.09Å; R436-I482 PolarHBondContact O-N 3.03Å
437	K	95.4	Very high	73	Confident	20 Å²	20	67.2 Å²	67.2	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.9	169.5	-72.3	-167.3	173.1	-177	0	110.2	E364 L416 R417 P480 W481	E364-K437 WeakPolarHBondContact OE1-CE 3.15Å; E364-K437 IonicContact OE1-NZ 3.48Å; E364-K437 PolarHBondContact OE1-NZ 3.43Å; L416-K437 VanDerWaalsContact O-CD 3.31Å; L416-K437 WeakPolarHBondContact O-CD 3.46Å; L416-K437 WeakPolarHBondContact O-CE 3.29Å; L416-K437 PolarHBondContact O-NZ 2.98Å; R417-K437 PolarHBondContact O-N 2.9Å; K437-P480 CarbonylContact C-O 3.44Å; K437-P480 WeakPolarHBondContact CA-O 3.47Å; K437-W481 HydrophobicContact CD-CH2 4.42Å; K437-W481 HydrophobicContact CD-CZ2 4.05Å; K437-W481 HydrophobicContact CG-CD2 3.92Å; K437-W481 HydrophobicContact CG-CE3 4.04Å; K437-W481 HydrophobicContact CG-CH2 3.73Å; K437-W481 HydrophobicContact CG-CZ2 3.62Å; K437-W481 HydrophobicContact CG-CZ3 3.95Å
438	W	92.9	Very high	71.8	Confident	8 Å²	8	70.8 Å²	70.8	3%	0.03	36%	0.362	C	S	.	.			trans	-141.8	121.4	177	-175.4	-110.6	0	0	0	109	D46 P48 P480 I482	D46-W438 VanDerWaalsContact O-CZ2 3.32Å; D46-W438 WeakPolarHBondContact O-CZ2 3.46Å; D46-W438 PolarHBondContact O-NE1 2.58Å; P48-W438 HydrophobicContact CB-CE3 4.19Å; P48-W438 HydrophobicContact CB-CH2 3.75Å; P48-W438 HydrophobicContact CB-CZ2 4.26Å; P48-W438 HydrophobicContact CB-CZ3 3.7Å; P48-W438 HydrophobicContact CG-CD2 4.09Å; P48-W438 HydrophobicContact CG-CE3 3.82Å; P48-W438 HydrophobicContact CG-CH2 4.19Å; P48-W438 HydrophobicContact CG-CZ2 4.42Å; P48-W438 HydrophobicContact CG-CZ3 3.88Å; W438-P480 PolarHBondContact N-O 3.4Å; W438-P480 WeakPolarHBondContact O-CA 3.25Å; W438-I482 HydrophobicContact CB-CB 4.47Å; W438-I482 HydrophobicContact CB-CD1 3.94Å; W438-I482 HydrophobicContact CB-CG1 4.01Å; W438-I482 HydrophobicContact CB-CG2 3.69Å; W438-I482 HydrophobicContact CG-CD1 4.24Å; W438-I482 HydrophobicContact CG-CG2 4.16Å
439	H	81.6	Confident	70.8	Confident	80 Å²	80	64.9 Å²	64.9	37%	0.37	34%	0.341	S	S	.	.			trans	-86.8	131.8	169.6	57.6	74.1	0	0	0	108.3	P441 E552	H439-P441 WeakPolarHBondContact O-CD 3.1Å; H439-E552 IonicContact CE1-OE1 2.84Å; H439-E552 PolarHBondContact CE1-OE1 3.39Å; H439-E552 IonicContact NE2-OE1 2.84Å; H439-E552 PolarHBondContact NE2-OE1 2.99Å
440	T	67.5	Low	70	Confident	71 Å²	71	69.3 Å²	69.3	44%	0.436	35%	0.348	S	S	.	.			trans	-71.2	113	166.8	-41.2	0	0	0	0	107.1	D46 M442 R491	D46-T440 HydrophobicContact CB-CG2 4.23Å; T440-M442 PolarHBondContact O-N 3.32Å; T440-R491 VanDerWaalsContact OG1-CZ 3.32Å; T440-R491 PolarHBondContact OG1-NH1 3.15Å; T440-R491 PolarHBondContact OG1-NH2 3.32Å
441	P	59.6	Low	69.2	Low	29 Å²	29	76.7 Å²	76.7	19%	0.188	37%	0.37	C	S	.	.			trans	-58.1	134	166.5	23.6	-29.8	0	0	0	108.3	H439 L443	H439-P441 WeakPolarHBondContact O-CD 3.1Å; P441-L443 HydrophobicContact CB-CG 4.26Å; P441-L443 HydrophobicContact CG-CD1 4.33Å; P441-L443 HydrophobicContact CG-CG 4.14Å; P441-L443 PolarHBondContact O-N 2.91Å
442	M	47	Very low	67.9	Low	173 Å²	173	78.9 Å²	78.9	85%	0.852	38%	0.383	S	S	*	.			trans	-63.9	81.3	167.6	-95.3	-83.1	160.5	0	0	107.8	T440 H444	T440-M442 PolarHBondContact O-N 3.32Å; M442-H444 PolarHBondContact O-N 3.41Å
443	L	48.3	Very low	66.5	Low	72 Å²	72	82.8 Å²	82.8	38%	0.377	41%	0.408	S	S	.	.			trans	-82.9	112.8	170.7	-66.1	174.9	0	0	0	107.1	P441 V445	P441-L443 HydrophobicContact CB-CG 4.26Å; P441-L443 HydrophobicContact CG-CD1 4.33Å; P441-L443 HydrophobicContact CG-CG 4.14Å; P441-L443 PolarHBondContact O-N 2.91Å; L443-V445 HydrophobicContact CB-CG2 3.58Å; L443-V445 HydrophobicContact CD1-CG2 4.39Å; L443-V445 PolarHBondContact O-N 3.25Å
444	H	34.8	Very low	64.9	Low	177 Å²	177	86.6 Å²	86.6	82%	0.819	43%	0.425	S	S	*	.			trans	-68.3	66.6	161.3	-121.5	90.6	0	0	0	108.3	M442 Q446	M442-H444 PolarHBondContact O-N 3.41Å; H444-Q446 PolarHBondContact O-N 2.93Å
445	V	44.1	Very low	63.6	Low	62 Å²	62	90.1 Å²	90.1	38%	0.376	44%	0.443	S	S	.	.			trans	-77.1	108.4	172.2	-171.7	0	0	0	0	106.5	L443 K447	L443-V445 HydrophobicContact CB-CG2 3.58Å; L443-V445 HydrophobicContact CD1-CG2 4.39Å; L443-V445 PolarHBondContact O-N 3.25Å; V445-K447 HydrophobicContact CB-CG 4.14Å; V445-K447 HydrophobicContact CG1-CG 3.71Å; V445-K447 PolarHBondContact O-N 2.84Å
446	Q	35.1	Very low	62.3	Low	186 Å²	186	94.2 Å²	94.2	87%	0.869	47%	0.466	S	S	*	.			trans	-58.7	81.6	151.9	-85.1	-179.2	-10.3	0	0	107.1	H444 V448	H444-Q446 PolarHBondContact O-N 2.93Å; Q446-V448 PolarHBondContact O-N 2.74Å
447	K	45.1	Very low	60.8	Low	127 Å²	127	97.4 Å²	97.4	55%	0.552	49%	0.489	S	S	*	.			trans	-66.3	104.8	168.9	-70.7	-175.3	177.3	177.1	0	105.3	V445 S449	V445-K447 HydrophobicContact CB-CG 4.14Å; V445-K447 HydrophobicContact CG1-CG 3.71Å; V445-K447 PolarHBondContact O-N 2.84Å; K447-S449 PolarHBondContact O-N 3.34Å
448	V	44.1	Very low	59.5	Low	124 Å²	124	100.1 Å²	100.1	75%	0.752	51%	0.511	S	S	*	.			trans	-66.9	81.5	152.8	-179	0	0	0	0	105	Q446	Q446-V448 PolarHBondContact O-N 2.74Å
449	S	50.6	Low	58.6	Low	54 Å²	54	104.4 Å²	104.4	38%	0.378	53%	0.534	S	S	.	.			trans	-94.2	111.6	-169	-159.1	0	0	0	0	109.8	K447 W451 H454	K447-S449 PolarHBondContact O-N 3.34Å; S449-W451 PolarHBondContact O-N 3.44Å; S449-H454 PolarHBondContact OG-CD2 3.5Å; S449-H454 PolarHBondContact OG-NE2 3.23Å
450	Y	58.2	Low	57.9	Low	169 Å²	169	104.8 Å²	104.8	66%	0.663	54%	0.544	S	S	*	.			trans	-71.8	117.5	163.5	-62.9	-77.6	0	0	0	107.8	L452 V453	Y450-L452 PolarHBondContact O-N 2.81Å; Y450-V453 WeakPolarHBondContact O-CB 3.22Å; Y450-V453 PolarHBondContact O-N 2.93Å
451	W	70.6	Confident	57.9	Low	172 Å²	172	105.3 Å²	105.3	65%	0.652	54%	0.542	S	S	*	.	H	α-helix	trans	-48.9	-33.2	-178.7	72.5	-77.7	0	0	0	113.6	S449 V453 H454 I455	S449-W451 PolarHBondContact O-N 3.44Å; W451-V453 PolarHBondContact O-N 3.12Å; W451-H454 WeakPolarHBondContact O-CB 3.19Å; W451-H454 PolarHBondContact O-N 3.2Å; W451-I455 HydrophobicContact CD2-CD1 4.49Å; W451-I455 HydrophobicContact CE3-CD1 3.26Å; W451-I455 HydrophobicContact CE3-CG1 4.26Å; W451-I455 HydrophobicContact CH2-CD1 4.34Å; W451-I455 HydrophobicContact CZ3-CD1 3.17Å; W451-I455 PolarHBondContact O-N 3.29Å
452	L	64.8	Low	58.4	Low	93 Å²	93	110.5 Å²	110.5	49%	0.487	56%	0.559	S	S	.	*	H	α-helix	trans	-61.3	-39.2	174.8	-76.3	168.8	0	0	0	113.4	Y450 H454 I455 L456	Y450-L452 PolarHBondContact O-N 2.81Å; L452-H454 VanDerWaalsContact C-N 3.31Å; L452-H454 PolarHBondContact O-N 3.37Å; L452-I455 PolarHBondContact O-N 2.85Å; L452-L456 WeakPolarHBondContact O-CG 3.38Å; L452-L456 PolarHBondContact O-N 2.8Å
453	V	65.6	Low	59.7	Low	90 Å²	90	105.7 Å²	105.7	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-65.6	-38.7	177.8	178.4	0	0	0	0	110.1	Y450 W451 S457	Y450-V453 WeakPolarHBondContact O-CB 3.22Å; Y450-V453 PolarHBondContact O-N 2.93Å; W451-V453 PolarHBondContact O-N 3.12Å; V453-S457 WeakPolarHBondContact O-CB 3.34Å; V453-S457 PolarHBondContact O-N 3.14Å
454	H	63	Low	60.7	Low	85 Å²	85	103.7 Å²	103.7	39%	0.394	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-42	173.2	-87	-49.6	0	0	0	113	S449 W451 L452 S458	S449-H454 PolarHBondContact OG-CD2 3.5Å; S449-H454 PolarHBondContact OG-NE2 3.23Å; W451-H454 WeakPolarHBondContact O-CB 3.19Å; W451-H454 PolarHBondContact O-N 3.2Å; L452-H454 VanDerWaalsContact C-N 3.31Å; L452-H454 PolarHBondContact O-N 3.37Å; H454-S458 WeakPolarHBondContact O-CB 3.27Å; H454-S458 PolarHBondContact O-N 3.46Å
455	I	71.4	Confident	62.5	Low	74 Å²	74	95.9 Å²	95.9	38%	0.379	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-47	177.7	-70.9	-179.8	0	0	0	110.6	W451 L452 S458 L459	W451-I455 HydrophobicContact CD2-CD1 4.49Å; W451-I455 HydrophobicContact CE3-CD1 3.26Å; W451-I455 HydrophobicContact CE3-CG1 4.26Å; W451-I455 HydrophobicContact CH2-CD1 4.34Å; W451-I455 HydrophobicContact CZ3-CD1 3.17Å; W451-I455 PolarHBondContact O-N 3.29Å; L452-I455 PolarHBondContact O-N 2.85Å; I455-S458 PolarHBondContact O-N 2.76Å; I455-L459 HydrophobicContact CG2-CD1 3.72Å; I455-L459 HydrophobicContact CG2-CG 4.33Å; I455-L459 WeakPolarHBondContact O-CB 3.49Å; I455-L459 VanDerWaalsContact O-CG 3.27Å; I455-L459 WeakPolarHBondContact O-CG 3.44Å; I455-L459 PolarHBondContact O-N 2.82Å
456	L	70.2	Confident	63.7	Low	108 Å²	108	101 Å²	101	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-45.4	179.1	-69.1	173.2	0	0	0	111.6	L452 S458 L459 C460	L452-L456 WeakPolarHBondContact O-CG 3.38Å; L452-L456 PolarHBondContact O-N 2.8Å; L456-S458 PolarHBondContact O-N 3.33Å; L456-L459 PolarHBondContact O-N 2.84Å; L456-C460 WeakPolarHBondContact O-CB 3.25Å; L456-C460 PolarHBondContact O-N 3.48Å; L456-C460 PolarHBondContact O-SG 3.44Å
457	S	65.9	Low	65.4	Low	71 Å²	71	100 Å²	100	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-42.5	176.4	174.5	0	0	0	0	111.9	V453 C460 Q461	V453-S457 WeakPolarHBondContact O-CB 3.34Å; V453-S457 PolarHBondContact O-N 3.14Å; S457-C460 PolarHBondContact O-N 2.99Å; S457-Q461 WeakPolarHBondContact O-CB 3.17Å; S457-Q461 PolarHBondContact O-N 2.87Å
458	S	68.4	Low	66.6	Low	78 Å²	78	97.4 Å²	97.4	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.8	-172.5	0	0	0	0	112	H454 I455 L456 Q461 Y462	H454-S458 WeakPolarHBondContact O-CB 3.27Å; H454-S458 PolarHBondContact O-N 3.46Å; I455-S458 PolarHBondContact O-N 2.76Å; L456-S458 PolarHBondContact O-N 3.33Å; S458-Q461 PolarHBondContact O-N 2.91Å; S458-Y462 VanDerWaalsContact O-CB 3.29Å; S458-Y462 WeakPolarHBondContact O-CB 3.3Å; S458-Y462 PolarHBondContact O-N 3.49Å
459	L	73.9	Confident	67.8	Low	98 Å²	98	94.4 Å²	94.4	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-46.7	175	-76.3	169.5	0	0	0	111.8	I455 L456 Q461 Y462 V463	I455-L459 HydrophobicContact CG2-CD1 3.72Å; I455-L459 HydrophobicContact CG2-CG 4.33Å; I455-L459 WeakPolarHBondContact O-CB 3.49Å; I455-L459 VanDerWaalsContact O-CG 3.27Å; I455-L459 WeakPolarHBondContact O-CG 3.44Å; I455-L459 PolarHBondContact O-N 2.82Å; L456-L459 PolarHBondContact O-N 2.84Å; L459-Q461 VanDerWaalsContact C-N 3.31Å; L459-Q461 PolarHBondContact O-N 3.46Å; L459-Y462 PolarHBondContact O-N 2.82Å; L459-V463 WeakPolarHBondContact O-CB 3.46Å; L459-V463 VanDerWaalsContact O-CG2 3.25Å; L459-V463 WeakPolarHBondContact O-CG2 3.28Å; L459-V463 PolarHBondContact O-N 3.43Å
460	C	67.9	Low	68.6	Low	88 Å²	88	92.3 Å²	92.3	60%	0.595	47%	0.471	S	S	*	.	H	α-helix	trans	-59.2	-43	175.6	-74.1	0	0	0	0	111.4	L456 S457 S464	L456-C460 WeakPolarHBondContact O-CB 3.25Å; L456-C460 PolarHBondContact O-N 3.48Å; L456-C460 PolarHBondContact O-SG 3.44Å; S457-C460 PolarHBondContact O-N 2.99Å; C460-S464 VanDerWaalsContact O-CB 3.25Å; C460-S464 WeakPolarHBondContact O-CB 3.46Å; C460-S464 PolarHBondContact O-N 3.26Å
461	Q	68	Low	68.9	Low	82 Å²	82	87 Å²	87	38%	0.383	46%	0.459	S	S	.	.	H	α-helix	trans	-67.1	-41.2	176.7	-169.7	64	53.3	0	0	111.9	S457 S458 L459 V463 S464 N465	S457-Q461 WeakPolarHBondContact O-CB 3.17Å; S457-Q461 PolarHBondContact O-N 2.87Å; S458-Q461 PolarHBondContact O-N 2.91Å; L459-Q461 VanDerWaalsContact C-N 3.31Å; L459-Q461 PolarHBondContact O-N 3.46Å; Q461-V463 PolarHBondContact O-N 3.31Å; Q461-S464 PolarHBondContact O-N 3.49Å; Q461-N465 PolarHBondContact NE2-OD1 2.84Å; Q461-N465 VanDerWaalsContact O-CB 3.27Å; Q461-N465 WeakPolarHBondContact O-CB 3.2Å; Q461-N465 PolarHBondContact O-N 3.39Å; Q461-N465 PolarHBondContact O-OD1 2.75Å
462	Y	69.5	Low	68.5	Low	137 Å²	137	82.4 Å²	82.4	54%	0.537	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-46	176.5	-175.2	-83.1	0	0	0	111.3	S458 L459 N465 Y466 N472	S458-Y462 VanDerWaalsContact O-CB 3.29Å; S458-Y462 WeakPolarHBondContact O-CB 3.3Å; S458-Y462 PolarHBondContact O-N 3.49Å; L459-Y462 PolarHBondContact O-N 2.82Å; Y462-N465 PolarHBondContact O-N 2.91Å; Y462-Y466 WeakPolarHBondContact O-CB 3.35Å; Y462-Y466 PolarHBondContact O-N 3.21Å; Y462-N472 HydrophobicContact CD2-CB 4.23Å; Y462-N472 WeakPolarHBondContact CD2-ND2 3.16Å; Y462-N472 HydrophobicContact CE2-CB 4.28Å; Y462-N472 WeakPolarHBondContact CE2-ND2 3.4Å
463	V	73.7	Confident	68.4	Low	72 Å²	72	80.4 Å²	80.4	44%	0.436	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-44.3	176.8	173.4	0	0	0	0	110.7	L459 Q461 Y466 F467	L459-V463 WeakPolarHBondContact O-CB 3.46Å; L459-V463 VanDerWaalsContact O-CG2 3.25Å; L459-V463 WeakPolarHBondContact O-CG2 3.28Å; L459-V463 PolarHBondContact O-N 3.43Å; Q461-V463 PolarHBondContact O-N 3.31Å; V463-Y466 WeakPolarHBondContact O-CB 3.43Å; V463-Y466 PolarHBondContact O-N 3.01Å; V463-F467 HydrophobicContact CG1-CD2 3.69Å; V463-F467 HydrophobicContact CG1-CE2 3.52Å; V463-F467 WeakPolarHBondContact O-CD2 3.34Å; V463-F467 PolarHBondContact O-N 3.1Å
464	S	70.2	Confident	68.3	Low	30 Å²	30	81.3 Å²	81.3	21%	0.21	45%	0.446	C	S	.	.	H	α-helix	trans	-58.1	-49.1	175.4	-173.8	0	0	0	0	111.6	C460 Q461 Y466 F467 Q468	C460-S464 VanDerWaalsContact O-CB 3.25Å; C460-S464 WeakPolarHBondContact O-CB 3.46Å; C460-S464 PolarHBondContact O-N 3.26Å; Q461-S464 PolarHBondContact O-N 3.49Å; S464-Y466 VanDerWaalsContact C-N 3.33Å; S464-Y466 PolarHBondContact O-N 3.41Å; S464-F467 PolarHBondContact O-N 3.47Å; S464-Q468 WeakPolarHBondContact O-CB 3.5Å; S464-Q468 VanDerWaalsContact O-CG 3.32Å; S464-Q468 WeakPolarHBondContact O-CG 3.21Å; S464-Q468 PolarHBondContact O-N 2.84Å; S464-Q468 PolarHBondContact OG-NE2 2.95Å
465	N	71.7	Confident	68.3	Low	14 Å²	14	84.2 Å²	84.2	8%	0.075	46%	0.46	C	S	.	.	H	α-helix	trans	-60.6	-41.3	177.4	-74	-5.5	0	0	0	111.7	Q461 Y462 Q468 G469 I470 N472	Q461-N465 PolarHBondContact NE2-OD1 2.84Å; Q461-N465 VanDerWaalsContact O-CB 3.27Å; Q461-N465 WeakPolarHBondContact O-CB 3.2Å; Q461-N465 PolarHBondContact O-N 3.39Å; Q461-N465 PolarHBondContact O-OD1 2.75Å; Y462-N465 PolarHBondContact O-N 2.91Å; N465-Q468 CarbonylContact O-C 3.55Å; N465-Q468 PolarHBondContact O-N 2.9Å; N465-G469 PolarHBondContact O-N 2.89Å; N465-I470 HydrophobicContact CB-CB 4.12Å; N465-I470 PolarHBondContact O-N 3.25Å; N465-N472 VanDerWaalsContact CB-OD1 3.29Å; N465-N472 WeakPolarHBondContact CB-OD1 3.36Å; N465-N472 PolarHBondContact ND2-OD1 3.43Å
466	Y	70.4	Confident	68	Low	170 Å²	170	81 Å²	81	67%	0.667	44%	0.444	S	S	*	.	H	α-helix	trans	-59.1	-48	175	177	-97	0	0	0	112	Y462 V463 S464 Q468 G469	Y462-Y466 WeakPolarHBondContact O-CB 3.35Å; Y462-Y466 PolarHBondContact O-N 3.21Å; V463-Y466 WeakPolarHBondContact O-CB 3.43Å; V463-Y466 PolarHBondContact O-N 3.01Å; S464-Y466 VanDerWaalsContact C-N 3.33Å; S464-Y466 PolarHBondContact O-N 3.41Å; Y466-Q468 VanDerWaalsContact C-N 3.3Å; Y466-Q468 PolarHBondContact O-N 3.4Å; Y466-G469 PolarHBondContact O-N 2.97Å
467	F	71.2	Confident	67.8	Low	164 Å²	164	83.9 Å²	83.9	72%	0.719	45%	0.449	S	S	*	.	H	α-helix	trans	-70	-25.6	178.5	-76.8	-66.9	0	0	0	113.6	V463 S464	V463-F467 HydrophobicContact CG1-CD2 3.69Å; V463-F467 HydrophobicContact CG1-CE2 3.52Å; V463-F467 WeakPolarHBondContact O-CD2 3.34Å; V463-F467 PolarHBondContact O-N 3.1Å; S464-F467 PolarHBondContact O-N 3.47Å
468	Q	68.9	Low	68.3	Low	72 Å²	72	86.7 Å²	86.7	34%	0.336	46%	0.458	S	S	.	.	H	α-helix	trans	-92	-1	178.7	-68.5	169.4	8.3	0	0	113.5	S464 N465 Y466 I470 H488	S464-Q468 WeakPolarHBondContact O-CB 3.5Å; S464-Q468 VanDerWaalsContact O-CG 3.32Å; S464-Q468 WeakPolarHBondContact O-CG 3.21Å; S464-Q468 PolarHBondContact O-N 2.84Å; S464-Q468 PolarHBondContact OG-NE2 2.95Å; N465-Q468 CarbonylContact O-C 3.55Å; N465-Q468 PolarHBondContact O-N 2.9Å; Y466-Q468 VanDerWaalsContact C-N 3.3Å; Y466-Q468 PolarHBondContact O-N 3.4Å; Q468-I470 HydrophobicContact CB-CD1 3.87Å; Q468-I470 HydrophobicContact CB-CG1 4.03Å; Q468-I470 PolarHBondContact O-N 3.08Å; Q468-H488 PolarHBondContact NE2-CE1 3.13Å; Q468-H488 PolarHBondContact NE2-NE2 3.39Å
469	G	69.4	Low	69.1	Low	62 Å²	62	83.3 Å²	83.3	64%	0.639	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	22.1	-176.9	0	0	0	0	0	114	N465 Y466	N465-G469 PolarHBondContact O-N 2.89Å; Y466-G469 PolarHBondContact O-N 2.97Å
470	I	67.9	Low	69.9	Low	9 Å²	9	81.5 Å²	81.5	5%	0.046	43%	0.429	C	S	.	.			trans	-89.7	127.2	178.1	-60.3	168.8	0	0	0	108.3	N465 Q468 N472 A476 I490 V492	N465-I470 HydrophobicContact CB-CB 4.12Å; N465-I470 PolarHBondContact O-N 3.25Å; Q468-I470 HydrophobicContact CB-CD1 3.87Å; Q468-I470 HydrophobicContact CB-CG1 4.03Å; Q468-I470 PolarHBondContact O-N 3.08Å; I470-N472 PolarHBondContact O-N 3.31Å; I470-A476 HydrophobicContact CG2-CB 4.34Å; I470-I490 HydrophobicContact CD1-CD1 3.46Å; I470-I490 VanDerWaalsContact CD1-CD1 3.46Å; I470-V492 HydrophobicContact CD1-CG1 4.02Å
471	S	64.4	Low	71.2	Confident	59 Å²	59	77.4 Å²	77.4	41%	0.413	40%	0.401	S	S	.	.			trans	-68	131.7	174.8	60.2	0	0	0	0	110.7	T473	S471-T473 PolarHBondContact O-N 3.06Å; S471-T473 PolarHBondContact OG-OG1 3.25Å
472	N	61.6	Low	72.4	Confident	74 Å²	74	73.5 Å²	73.5	40%	0.396	38%	0.383	S	S	.	.			trans	-72.5	43.2	173	-70.1	-55.1	0	0	0	112.6	Y462 N465 I470	Y462-N472 HydrophobicContact CD2-CB 4.23Å; Y462-N472 WeakPolarHBondContact CD2-ND2 3.16Å; Y462-N472 HydrophobicContact CE2-CB 4.28Å; Y462-N472 WeakPolarHBondContact CE2-ND2 3.4Å; N465-N472 VanDerWaalsContact CB-OD1 3.29Å; N465-N472 WeakPolarHBondContact CB-OD1 3.36Å; N465-N472 PolarHBondContact ND2-OD1 3.43Å; I470-N472 PolarHBondContact O-N 3.31Å
473	T	64.2	Low	73.7	Confident	52 Å²	52	68.2 Å²	68.2	32%	0.319	36%	0.364	S	S	.	.			trans	-83.5	150.5	178	53.1	0	0	0	0	110.4	S471 E475 A476	S471-T473 PolarHBondContact O-N 3.06Å; S471-T473 PolarHBondContact OG-OG1 3.25Å; T473-E475 PolarHBondContact O-N 2.91Å; T473-E475 VanDerWaalsContact O-N 3.1Å; T473-A476 WeakPolarHBondContact O-CB 3.34Å; T473-A476 PolarHBondContact O-N 3.16Å
474	P	62	Low	74.7	Confident	108 Å²	108	64.9 Å²	64.9	70%	0.701	34%	0.344	S	S	*	.	H	α-helix	trans	-53.7	-29.3	172.7	-24.7	33.2	0	0	0	113.3	A476 Y477 N478	P474-A476 VanDerWaalsContact C-N 3.31Å; P474-A476 PolarHBondContact O-N 3.22Å; P474-Y477 PolarHBondContact O-N 3.24Å; P474-N478 PolarHBondContact O-N 3.32Å
475	E	63.3	Low	75.9	Confident	146 Å²	146	65.1 Å²	65.1	68%	0.682	35%	0.345	S	S	*	.	H	α-helix	trans	-60.6	-36	176.3	-62.8	178.1	179.6	0	0	113	T473 Y477 S479	T473-E475 PolarHBondContact O-N 2.91Å; T473-E475 VanDerWaalsContact O-N 3.1Å; E475-Y477 VanDerWaalsContact C-N 3.34Å; E475-S479 WeakPolarHBondContact O-CB 3.47Å; E475-S479 PolarHBondContact O-N 3.26Å; E475-S479 VanDerWaalsContact O-N 3.14Å
476	A	64.9	Low	77	Confident	7 Å²	7	65.7 Å²	65.7	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-69.8	-34.1	177.8	0	0	0	0	0	111.7	I470 T473 P474 R491	I470-A476 HydrophobicContact CG2-CB 4.34Å; T473-A476 WeakPolarHBondContact O-CB 3.34Å; T473-A476 PolarHBondContact O-N 3.16Å; P474-A476 VanDerWaalsContact C-N 3.31Å; P474-A476 PolarHBondContact O-N 3.22Å; A476-R491 WeakPolarHBondContact O-CB 3.4Å
477	Y	67.4	Low	78.1	Confident	168 Å²	168	60.1 Å²	60.1	66%	0.659	34%	0.337	S	S	*	.	H	α-helix	trans	-71.1	-40.2	-177.1	-166	-91.7	0	0	0	112.5	P474 E475 R491	P474-Y477 PolarHBondContact O-N 3.24Å; E475-Y477 VanDerWaalsContact C-N 3.34Å; Y477-R491 WeakPolarHBondContact O-CD 3.45Å
478	N	76.1	Confident	78.9	Confident	130 Å²	130	56 Å²	56	70%	0.695	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	8.8	179.3	-72.6	-16.8	0	0	0	113.5	P474	P474-N478 PolarHBondContact O-N 3.32Å
479	S	84.7	Confident	80.1	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	31%	0.311	C	S	.	.			trans	-61.4	134.1	179.9	-178	0	0	0	0	110.5	E475 W481 R491 V492	E475-S479 WeakPolarHBondContact O-CB 3.47Å; E475-S479 PolarHBondContact O-N 3.26Å; E475-S479 VanDerWaalsContact O-N 3.14Å; S479-W481 PolarHBondContact O-N 2.96Å; S479-W481 PolarHBondContact OG-N 2.84Å; S479-W481 VanDerWaalsContact OG-N 3.12Å; S479-R491 PolarHBondContact O-NH1 3.06Å; S479-V492 WeakPolarHBondContact CB-O 3.41Å; S479-V492 PolarHBondContact OG-O 3.38Å
480	P	90.7	Very high	81	Confident	60 Å²	60	51.1 Å²	51.1	39%	0.39	28%	0.283	S	S	.	.	S	Bend	trans	-74.6	4.4	171.6	33.6	-35.6	0	0	0	111.9	K437 W438	K437-P480 CarbonylContact C-O 3.44Å; K437-P480 WeakPolarHBondContact CA-O 3.47Å; W438-P480 PolarHBondContact N-O 3.4Å; W438-P480 WeakPolarHBondContact O-CA 3.25Å
481	W	94.5	Very high	82.1	Confident	2 Å²	2	52 Å²	52	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.5	-178.2	-70.2	95.4	0	0	0	111.8	L416 R436 K437 S479 V492 F494 V497	L416-W481 HydrophobicContact CB-CH2 4.24Å; L416-W481 HydrophobicContact CD2-CH2 3.81Å; L416-W481 HydrophobicContact CD2-CZ2 4.27Å; L416-W481 HydrophobicContact CG-CH2 3.83Å; L416-W481 HydrophobicContact CG-CZ2 4.49Å; R436-W481 VanDerWaalsContact C-CE3 3.4Å; K437-W481 HydrophobicContact CD-CH2 4.42Å; K437-W481 HydrophobicContact CD-CZ2 4.05Å; K437-W481 HydrophobicContact CG-CD2 3.92Å; K437-W481 HydrophobicContact CG-CE3 4.04Å; K437-W481 HydrophobicContact CG-CH2 3.73Å; K437-W481 HydrophobicContact CG-CZ2 3.62Å; K437-W481 HydrophobicContact CG-CZ3 3.95Å; S479-W481 PolarHBondContact O-N 2.96Å; S479-W481 PolarHBondContact OG-N 2.84Å; S479-W481 VanDerWaalsContact OG-N 3.12Å; W481-V492 HydrophobicContact CB-CG2 4.29Å; W481-V492 WeakPolarHBondContact CB-O 3.13Å; W481-V492 PolarHBondContact O-N 3.43Å; W481-F494 AromaticContact CD1-CD2 3.92Å; W481-F494 HydrophobicContact CD2-CD2 4.28Å; W481-F494 AromaticContact CE2-CD2 3.52Å; W481-F494 HydrophobicContact CG-CD2 4.48Å; W481-F494 AromaticContact CZ2-CD2 3.79Å; W481-F494 HydrophobicContact CZ2-CD2 3.79Å; W481-F494 AromaticContact CZ2-CE2 3.81Å; W481-F494 HydrophobicContact CZ2-CE2 3.81Å; W481-F494 AromaticContact NE1-CD2 3.29Å; W481-F494 VanDerWaalsContact NE1-CD2 3.29Å; W481-F494 AromaticContact NE1-CG 3.94Å; W481-V497 HydrophobicContact CB-CG2 4.12Å; W481-V497 HydrophobicContact CD2-CG2 3.84Å; W481-V497 HydrophobicContact CE3-CG1 4.16Å; W481-V497 HydrophobicContact CE3-CG2 3.77Å; W481-V497 HydrophobicContact CG-CG2 4.01Å; W481-V497 HydrophobicContact CH2-CG1 4.23Å; W481-V497 HydrophobicContact CZ3-CG1 3.96Å; W481-V497 HydrophobicContact CZ3-CG2 4.42Å
482	I	94.9	Very high	83.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.9	173.9	63.8	170.9	0	0	0	110.1	L47 P48 Y435 R436 W438 T484 V489 I490 R491	L47-I482 HydrophobicContact CD2-CG2 3.8Å; P48-I482 HydrophobicContact CG-CD1 3.32Å; Y435-I482 CarbonylContact C-O 3.56Å; Y435-I482 VanDerWaalsContact CA-O 3.28Å; Y435-I482 WeakPolarHBondContact CA-O 3.16Å; R436-I482 HydrophobicContact CG-CD1 3.73Å; R436-I482 HydrophobicContact CG-CG1 3.46Å; R436-I482 VanDerWaalsContact CG-CG1 3.46Å; R436-I482 PolarHBondContact N-O 3.44Å; R436-I482 WeakPolarHBondContact O-CG1 3.09Å; R436-I482 PolarHBondContact O-N 3.03Å; W438-I482 HydrophobicContact CB-CB 4.47Å; W438-I482 HydrophobicContact CB-CD1 3.94Å; W438-I482 HydrophobicContact CB-CG1 4.01Å; W438-I482 HydrophobicContact CB-CG2 3.69Å; W438-I482 HydrophobicContact CG-CD1 4.24Å; W438-I482 HydrophobicContact CG-CG2 4.16Å; I482-T484 HydrophobicContact CD1-CG2 3.94Å; I482-T484 HydrophobicContact CG1-CG2 4.31Å; I482-V489 HydrophobicContact CD1-CG1 3.99Å; I482-I490 CarbonylContact C-O 3.51Å; I482-I490 WeakPolarHBondContact CA-O 2.99Å; I482-I490 VanDerWaalsContact CB-O 3.25Å; I482-I490 WeakPolarHBondContact CB-O 3.44Å; I482-R491 HydrophobicContact CG2-CG 4.08Å
483	L	95.5	Very high	84.7	Confident	27 Å²	27	46.5 Å²	46.5	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.6	166.5	169.2	62.1	0	0	0	108.5	I433 Y435 V489 I490 V492	I433-L483 HydrophobicContact CB-CD1 3.94Å; I433-L483 HydrophobicContact CD1-CD1 3.82Å; I433-L483 HydrophobicContact CG1-CD1 4.15Å; Y435-L483 HydrophobicContact CD1-CB 4Å; Y435-L483 HydrophobicContact CD1-CD1 4.03Å; Y435-L483 HydrophobicContact CE1-CB 3.86Å; Y435-L483 HydrophobicContact CE1-CD1 3.72Å; Y435-L483 HydrophobicContact CE1-CD2 4.23Å; Y435-L483 HydrophobicContact CE1-CG 4.14Å; Y435-L483 HydrophobicContact CE2-CD1 4.31Å; Y435-L483 HydrophobicContact CG-CD1 4.48Å; L483-V489 WeakPolarHBondContact O-CA 3.48Å; L483-I490 HydrophobicContact CB-CD1 4.29Å; L483-I490 HydrophobicContact CB-CG1 3.89Å; L483-I490 HydrophobicContact CD2-CD1 4.06Å; L483-I490 HydrophobicContact CD2-CG1 4.46Å; L483-I490 HydrophobicContact CG-CG1 4.41Å; L483-I490 PolarHBondContact N-O 3.06Å; L483-I490 PolarHBondContact O-N 3.11Å; L483-V492 HydrophobicContact CB-CG1 3.74Å; L483-V492 HydrophobicContact CB-CG2 4.16Å
484	T	95.8	Very high	86	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	175.3	59	0	0	0	0	108.7	Q65 T434 I482 H488 V489	Q65-T484 WeakPolarHBondContact CB-OG1 3.34Å; Q65-T484 HydrophobicContact CG-CG2 4.17Å; T434-T484 WeakPolarHBondContact CB-OG1 3.47Å; T434-T484 PolarHBondContact N-O 3.33Å; T434-T484 PolarHBondContact O-N 2.9Å; T434-T484 PolarHBondContact O-OG1 3.27Å; I482-T484 HydrophobicContact CD1-CG2 3.94Å; I482-T484 HydrophobicContact CG1-CG2 4.31Å; T484-H488 WeakPolarHBondContact CA-O 3.02Å; T484-V489 HydrophobicContact CG2-CG1 3.98Å; T484-V489 HydrophobicContact CG2-CG2 4.04Å
485	S	95.1	Very high	87.3	Confident	34 Å²	34	48.5 Å²	48.5	24%	0.238	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	93.2	173.1	172.5	0	0	0	0	107.1	H431 A487 H488	H431-S485 PolarHBondContact NE2-OG 3.41Å; S485-A487 PolarHBondContact O-N 2.98Å; S485-A487 VanDerWaalsContact O-N 3.16Å; S485-H488 PolarHBondContact N-O 3.1Å; S485-H488 WeakPolarHBondContact O-CB 3.33Å; S485-H488 PolarHBondContact O-N 3.47Å
486	D	94.8	Very high	88.6	Confident	26 Å²	26	44.3 Å²	44.3	14%	0.139	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-117.8	-173.5	-61.6	-40.2	0	0	0	111.7	G50 L51 N53 N61 H431 H488	G50-D486 CarbonylContact C-O 3.48Å; G50-D486 VanDerWaalsContact CA-O 3.25Å; G50-D486 WeakPolarHBondContact CA-O 3.5Å; L51-D486 PolarHBondContact N-O 3.25Å; L51-D486 CarbonylContact O-C 3.54Å; L51-D486 WeakPolarHBondContact O-CA 3.29Å; L51-D486 WeakPolarHBondContact O-CB 3.09Å; N53-D486 HydrophobicContact CB-CB 3.9Å; N53-D486 VanDerWaalsContact CB-OD2 3.22Å; N53-D486 WeakPolarHBondContact CB-OD2 3.46Å; N53-D486 PolarHBondContact ND2-OD2 2.72Å; N61-D486 PolarHBondContact ND2-OD1 3Å; H431-D486 IonicContact CE1-OD2 3.82Å; H431-D486 PolarHBondContact CE1-OD2 3.5Å; H431-D486 VanDerWaalsContact CE1-OD2 3.26Å; D486-H488 PolarHBondContact O-N 2.88Å
487	A	92.1	Very high	90	Very high	54 Å²	54	44 Å²	44	45%	0.446	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.9	-178.3	0	0	0	0	0	112.8	V39 L51 S485	V39-A487 HydrophobicContact CG1-CB 3.64Å; L51-A487 PolarHBondContact O-N 2.84Å; S485-A487 PolarHBondContact O-N 2.98Å; S485-A487 VanDerWaalsContact O-N 3.16Å
488	H	89.8	Confident	91.1	Very high	78 Å²	78	39.2 Å²	39.2	36%	0.361	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.8	-174.7	-174	-91.6	0	0	0	111	Q468 T484 S485 D486 I490	Q468-H488 PolarHBondContact NE2-CE1 3.13Å; Q468-H488 PolarHBondContact NE2-NE2 3.39Å; T484-H488 WeakPolarHBondContact CA-O 3.02Å; S485-H488 PolarHBondContact N-O 3.1Å; S485-H488 WeakPolarHBondContact O-CB 3.33Å; S485-H488 PolarHBondContact O-N 3.47Å; D486-H488 PolarHBondContact O-N 2.88Å; H488-I490 WeakPolarHBondContact CE1-CG2 3.43Å
489	V	92.1	Very high	91.8	Very high	24 Å²	24	36.6 Å²	36.6	15%	0.145	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.5	-178.6	-176	0	0	0	0	109.5	L47 P48 I482 L483 T484	L47-V489 HydrophobicContact CB-CG1 4.13Å; L47-V489 HydrophobicContact CD1-CG1 4.31Å; P48-V489 HydrophobicContact CG-CG1 4.2Å; I482-V489 HydrophobicContact CD1-CG1 3.99Å; L483-V489 WeakPolarHBondContact O-CA 3.48Å; T484-V489 HydrophobicContact CG2-CG1 3.98Å; T484-V489 HydrophobicContact CG2-CG2 4.04Å
490	I	89.7	Confident	92.1	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.1	-178.4	55.9	171	0	0	0	111.3	I470 I482 L483 H488 V492	I470-I490 HydrophobicContact CD1-CD1 3.46Å; I470-I490 VanDerWaalsContact CD1-CD1 3.46Å; I482-I490 CarbonylContact C-O 3.51Å; I482-I490 WeakPolarHBondContact CA-O 2.99Å; I482-I490 VanDerWaalsContact CB-O 3.25Å; I482-I490 WeakPolarHBondContact CB-O 3.44Å; L483-I490 HydrophobicContact CB-CD1 4.29Å; L483-I490 HydrophobicContact CB-CG1 3.89Å; L483-I490 HydrophobicContact CD2-CD1 4.06Å; L483-I490 HydrophobicContact CD2-CG1 4.46Å; L483-I490 HydrophobicContact CG-CG1 4.41Å; L483-I490 PolarHBondContact N-O 3.06Å; L483-I490 PolarHBondContact O-N 3.11Å; H488-I490 WeakPolarHBondContact CE1-CG2 3.43Å; I490-V492 HydrophobicContact CD1-CG1 3.97Å; I490-V492 HydrophobicContact CG1-CG1 4.11Å
491	R	90.1	Very high	92.2	Very high	27 Å²	27	36.3 Å²	36.3	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.7	168.4	-64.6	-174.6	173.9	-93.1	-3.2	110.7	D46 L47 T440 A476 Y477 S479 I482	D46-R491 IonicContact OD2-CZ 3.26Å; D46-R491 IonicContact OD2-NE 2.97Å; D46-R491 PolarHBondContact OD2-NE 2.79Å; D46-R491 IonicContact OD2-NH2 3.8Å; D46-R491 PolarHBondContact OD2-NH2 2.77Å; L47-R491 HydrophobicContact CD1-CG 4.35Å; L47-R491 HydrophobicContact CD2-CG 3.75Å; T440-R491 VanDerWaalsContact OG1-CZ 3.32Å; T440-R491 PolarHBondContact OG1-NH1 3.15Å; T440-R491 PolarHBondContact OG1-NH2 3.32Å; A476-R491 WeakPolarHBondContact O-CB 3.4Å; Y477-R491 WeakPolarHBondContact O-CD 3.45Å; S479-R491 PolarHBondContact O-NH1 3.06Å; I482-R491 HydrophobicContact CG2-CG 4.08Å
492	V	90.9	Very high	92.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.196	C	C	.	.			trans	-141.2	145.8	178.5	-63.2	0	0	0	0	110.1	Y435 I470 S479 W481 L483 I490 H496	Y435-V492 HydrophobicContact CD1-CG2 3.84Å; Y435-V492 HydrophobicContact CE1-CG2 4.05Å; I470-V492 HydrophobicContact CD1-CG1 4.02Å; S479-V492 WeakPolarHBondContact CB-O 3.41Å; S479-V492 PolarHBondContact OG-O 3.38Å; W481-V492 HydrophobicContact CB-CG2 4.29Å; W481-V492 WeakPolarHBondContact CB-O 3.13Å; W481-V492 PolarHBondContact O-N 3.43Å; L483-V492 HydrophobicContact CB-CG1 3.74Å; L483-V492 HydrophobicContact CB-CG2 4.16Å; I490-V492 HydrophobicContact CD1-CG1 3.97Å; I490-V492 HydrophobicContact CG1-CG1 4.11Å; V492-H496 HydrophobicContact CB-CB 4.41Å
493	P	90.6	Very high	92.3	Very high	17 Å²	17	36.2 Å²	36.2	11%	0.11	20%	0.196	C	C	.	.			trans	-69.9	154.6	174.9	29.2	-33.5	0	0	0	111.4	K495 H496	P493-K495 PolarHBondContact O-N 3.06Å; P493-K495 VanDerWaalsContact O-N 3.1Å; P493-H496 PolarHBondContact O-N 3.2Å
494	F	91.2	Very high	92.4	Very high	47 Å²	47	35 Å²	35	21%	0.206	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-31.7	-179.1	178.9	-114.8	0	0	0	113.2	E364 L416 W481 H496 V497 E498	E364-F494 HydrophobicContact CB-CE1 4.29Å; E364-F494 HydrophobicContact CB-CE2 4.34Å; E364-F494 HydrophobicContact CB-CZ 3.78Å; E364-F494 HydrophobicContact CG-CZ 4.41Å; L416-F494 HydrophobicContact CD2-CE2 4.33Å; W481-F494 AromaticContact CD1-CD2 3.92Å; W481-F494 HydrophobicContact CD2-CD2 4.28Å; W481-F494 AromaticContact CE2-CD2 3.52Å; W481-F494 HydrophobicContact CG-CD2 4.48Å; W481-F494 AromaticContact CZ2-CD2 3.79Å; W481-F494 HydrophobicContact CZ2-CD2 3.79Å; W481-F494 AromaticContact CZ2-CE2 3.81Å; W481-F494 HydrophobicContact CZ2-CE2 3.81Å; W481-F494 AromaticContact NE1-CD2 3.29Å; W481-F494 VanDerWaalsContact NE1-CD2 3.29Å; W481-F494 AromaticContact NE1-CG 3.94Å; F494-H496 PolarHBondContact O-N 3.34Å; F494-H496 VanDerWaalsContact O-N 3.11Å; F494-V497 HydrophobicContact CD2-CB 3.96Å; F494-V497 HydrophobicContact CD2-CG1 4.46Å; F494-V497 HydrophobicContact CD2-CG2 4.35Å; F494-V497 HydrophobicContact CE2-CB 4.21Å; F494-V497 HydrophobicContact CE2-CG1 4.32Å; F494-V497 CarbonylContact O-C 3.5Å; F494-V497 WeakPolarHBondContact O-CA 3.5Å; F494-V497 VanDerWaalsContact O-CB 3.25Å; F494-V497 WeakPolarHBondContact O-CB 3.26Å; F494-V497 PolarHBondContact O-N 3.21Å; F494-E498 HydrophobicContact CD1-CB 4.39Å; F494-E498 HydrophobicContact CE1-CB 4Å; F494-E498 HydrophobicContact CE1-CG 4.4Å; F494-E498 HydrophobicContact CZ-CB 4.21Å; F494-E498 PolarHBondContact O-N 3.27Å
495	K	89.9	Confident	92.5	Very high	155 Å²	155	34.9 Å²	34.9	67%	0.674	19%	0.189	S	C	*	.	H	α-helix	trans	-54.6	-31.2	176.4	-172.4	175.1	-178.8	179	0	114	P493 S499	P493-K495 PolarHBondContact O-N 3.06Å; P493-K495 VanDerWaalsContact O-N 3.1Å; K495-S499 WeakPolarHBondContact O-CB 3.37Å; K495-S499 PolarHBondContact O-N 3.1Å; K495-S499 VanDerWaalsContact O-N 3.07Å; K495-S499 PolarHBondContact O-OG 2.82Å
496	H	90.3	Very high	92.6	Very high	57 Å²	57	33.2 Å²	33.2	26%	0.264	18%	0.178	S	C	.	.	H	α-helix	trans	-72.1	-34.5	174	-77.3	-122.9	0	0	0	111.9	Y435 V492 P493 F494 S500	Y435-H496 HydrophobicContact CE1-CB 4.34Å; V492-H496 HydrophobicContact CB-CB 4.41Å; P493-H496 PolarHBondContact O-N 3.2Å; F494-H496 PolarHBondContact O-N 3.34Å; F494-H496 VanDerWaalsContact O-N 3.11Å; H496-S500 WeakPolarHBondContact O-CB 3.37Å; H496-S500 PolarHBondContact O-N 3.23Å
497	V	93.6	Very high	92.8	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-69.1	-49.5	175.6	-170.5	0	0	0	0	109.7	L416 V419 Y435 W481 F494 S499 S500	L416-V497 HydrophobicContact CD2-CG1 4.42Å; V419-V497 HydrophobicContact CB-CG1 4.25Å; V419-V497 HydrophobicContact CG2-CG1 3.72Å; Y435-V497 HydrophobicContact CD1-CG2 3.83Å; Y435-V497 HydrophobicContact CG-CB 4.42Å; Y435-V497 HydrophobicContact CG-CG1 4.3Å; Y435-V497 HydrophobicContact CG-CG2 3.97Å; W481-V497 HydrophobicContact CB-CG2 4.12Å; W481-V497 HydrophobicContact CD2-CG2 3.84Å; W481-V497 HydrophobicContact CE3-CG1 4.16Å; W481-V497 HydrophobicContact CE3-CG2 3.77Å; W481-V497 HydrophobicContact CG-CG2 4.01Å; W481-V497 HydrophobicContact CH2-CG1 4.23Å; W481-V497 HydrophobicContact CZ3-CG1 3.96Å; W481-V497 HydrophobicContact CZ3-CG2 4.42Å; F494-V497 HydrophobicContact CD2-CB 3.96Å; F494-V497 HydrophobicContact CD2-CG1 4.46Å; F494-V497 HydrophobicContact CD2-CG2 4.35Å; F494-V497 HydrophobicContact CE2-CB 4.21Å; F494-V497 HydrophobicContact CE2-CG1 4.32Å; F494-V497 CarbonylContact O-C 3.5Å; F494-V497 WeakPolarHBondContact O-CA 3.5Å; F494-V497 VanDerWaalsContact O-CB 3.25Å; F494-V497 WeakPolarHBondContact O-CB 3.26Å; F494-V497 PolarHBondContact O-N 3.21Å; V497-S499 VanDerWaalsContact C-N 3.32Å; V497-S499 PolarHBondContact O-N 3.24Å; V497-S500 WeakPolarHBondContact O-CB 2.8Å; V497-S500 PolarHBondContact O-N 2.99Å; V497-S500 VanDerWaalsContact O-N 3.16Å; V497-S500 PolarHBondContact O-OG 2.89Å
498	E	91.3	Very high	92.9	Very high	68 Å²	68	29.9 Å²	29.9	32%	0.318	15%	0.152	S	C	.	.	H	α-helix	trans	-59.9	-40	-179.9	-175.3	-177	-159.1	0	0	111.9	H359 H361 F494 S500	H359-E498 PolarHBondContact CE1-O 2.86Å; H361-E498 IonicContact CD2-OE1 3.38Å; H361-E498 IonicContact NE2-OE1 3.72Å; F494-E498 HydrophobicContact CD1-CB 4.39Å; F494-E498 HydrophobicContact CE1-CB 4Å; F494-E498 HydrophobicContact CE1-CG 4.4Å; F494-E498 HydrophobicContact CZ-CB 4.21Å; F494-E498 PolarHBondContact O-N 3.27Å; E498-S500 VanDerWaalsContact C-N 3.32Å; E498-S500 PolarHBondContact O-N 2.79Å
499	S	90	Very high	93	Very high	75 Å²	75	29.3 Å²	29.3	52%	0.524	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.6	179.9	57	0	0	0	0	114.6	H359 K495 V497	H359-S499 PolarHBondContact ND1-O 3.42Å; K495-S499 WeakPolarHBondContact O-CB 3.37Å; K495-S499 PolarHBondContact O-N 3.1Å; K495-S499 VanDerWaalsContact O-N 3.07Å; K495-S499 PolarHBondContact O-OG 2.82Å; V497-S499 VanDerWaalsContact C-N 3.32Å; V497-S499 PolarHBondContact O-N 3.24Å
500	S	92	Very high	92.8	Very high	5 Å²	5	29 Å²	29	4%	0.035	14%	0.144	C	C	.	.	S	Bend	trans	-75	150.5	-174.6	74	0	0	0	0	113	H496 V497 E498 A502	H496-S500 WeakPolarHBondContact O-CB 3.37Å; H496-S500 PolarHBondContact O-N 3.23Å; V497-S500 WeakPolarHBondContact O-CB 2.8Å; V497-S500 PolarHBondContact O-N 2.99Å; V497-S500 VanDerWaalsContact O-N 3.16Å; V497-S500 PolarHBondContact O-OG 2.89Å; E498-S500 VanDerWaalsContact C-N 3.32Å; E498-S500 PolarHBondContact O-N 2.79Å; S500-A502 PolarHBondContact O-N 2.89Å
501	P	92.1	Very high	92.1	Very high	55 Å²	55	31.4 Å²	31.4	36%	0.357	16%	0.161	S	C	.	.			trans	-79.1	74.4	174.2	30.4	-30.9	0	0	0	110.4	V421	V421-P501 HydrophobicContact CG1-CG 3.79Å
502	A	95	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.2	-173.4	0	0	0	0	0	114	I321 R323 I362 V419 S500 L505	I321-A502 HydrophobicContact CD1-CB 4.18Å; R323-A502 PolarHBondContact NE-O 3.15Å; R323-A502 PolarHBondContact NH2-O 2.78Å; I362-A502 HydrophobicContact CD1-CB 3.27Å; I362-A502 HydrophobicContact CG1-CB 4.39Å; V419-A502 HydrophobicContact CG1-CB 3.49Å; V419-A502 VanDerWaalsContact CG1-CB 3.49Å; S500-A502 PolarHBondContact O-N 2.89Å; A502-L505 HydrophobicContact CB-CD2 3.62Å; A502-L505 HydrophobicContact CB-CG 4.44Å
503	Y	95.7	Very high	88.1	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-53.9	179.9	-177.6	-113.5	0	0	0	111.6	D139 H141 Y320 I321 I420 H422 Y432	D139-Y503 VanDerWaalsContact OD1-CE1 3.3Å; D139-Y503 WeakPolarHBondContact OD1-CE1 3.32Å; D139-Y503 VanDerWaalsContact OD1-CZ 3.31Å; D139-Y503 PolarHBondContact OD1-OH 2.94Å; D139-Y503 PolarHBondContact OD2-OH 2.78Å; H141-Y503 HydrophobicContact CB-CE1 4.21Å; Y320-Y503 HydrophobicContact CD2-CE2 4.43Å; Y320-Y503 HydrophobicContact CE2-CD2 4.24Å; Y320-Y503 HydrophobicContact CE2-CE1 4.19Å; Y320-Y503 AromaticContact CE2-CE2 3.52Å; Y320-Y503 HydrophobicContact CE2-CE2 3.52Å; Y320-Y503 AromaticContact CE2-CZ 3.47Å; Y320-Y503 VanDerWaalsContact CE2-CZ 3.47Å; Y320-Y503 WeakPolarHBondContact CE2-OH 3.48Å; Y320-Y503 PolarHBondContact OH-OH 3.19Å; I321-Y503 PolarHBondContact N-O 2.88Å; I420-Y503 HydrophobicContact CG2-CD1 4.44Å; I420-Y503 WeakPolarHBondContact O-CA 3.39Å; I420-Y503 VanDerWaalsContact O-CB 3.29Å; I420-Y503 WeakPolarHBondContact O-CB 3.2Å; I420-Y503 PolarHBondContact O-N 3.19Å; H422-Y503 HydrophobicContact CB-CG 4.34Å; Y432-Y503 AromaticContact CE1-CD1 3.83Å; Y432-Y503 HydrophobicContact CE1-CD1 3.83Å; Y432-Y503 AromaticContact CE1-CE1 3.85Å; Y432-Y503 HydrophobicContact CE1-CE1 3.85Å
504	L	97.7	Very high	85.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.4	171.9	-67.9	159.6	0	0	0	109.5	A140 H141 V318 L319 Y320 V419 I420 F506	A140-L504 HydrophobicContact CB-CD1 4.08Å; H141-L504 HydrophobicContact CB-CD1 4.21Å; H141-L504 HydrophobicContact CB-CD2 4.18Å; V318-L504 HydrophobicContact CG1-CD2 4.3Å; L319-L504 WeakPolarHBondContact O-CA 3.4Å; Y320-L504 HydrophobicContact CD2-CD2 3.7Å; Y320-L504 HydrophobicContact CD2-CG 4.36Å; Y320-L504 HydrophobicContact CG-CD2 4.11Å; V419-L504 CarbonylContact C-O 3.55Å; V419-L504 WeakPolarHBondContact CA-O 3.47Å; I420-L504 HydrophobicContact CB-CB 4.07Å; I420-L504 HydrophobicContact CD1-CB 4.26Å; I420-L504 HydrophobicContact CD1-CD1 3.9Å; I420-L504 HydrophobicContact CG1-CB 4.33Å; I420-L504 PolarHBondContact N-O 3.32Å; I420-L504 PolarHBondContact O-N 3.47Å; L504-F506 HydrophobicContact CB-CE2 4Å
505	L	98.3	Very high	83.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.1	179.3	-55.9	171	0	0	0	109	L268 V318 L319 I321 I362 L416 V419 A502 Y507	L268-L505 HydrophobicContact CD1-CD1 4.42Å; L268-L505 HydrophobicContact CD2-CD1 3.86Å; V318-L505 CarbonylContact C-O 3.59Å; V318-L505 VanDerWaalsContact CA-O 3.27Å; V318-L505 WeakPolarHBondContact CA-O 3.36Å; L319-L505 HydrophobicContact CB-CB 4.14Å; L319-L505 HydrophobicContact CB-CD1 4.27Å; L319-L505 HydrophobicContact CD1-CD1 4.22Å; L319-L505 PolarHBondContact N-O 3.47Å; L319-L505 PolarHBondContact O-N 3.34Å; I321-L505 HydrophobicContact CD1-CD1 4.16Å; I362-L505 HydrophobicContact CD1-CD2 4Å; I362-L505 HydrophobicContact CG1-CD1 4.09Å; I362-L505 HydrophobicContact CG1-CD2 4.14Å; I362-L505 HydrophobicContact CG2-CD1 3.94Å; I362-L505 HydrophobicContact CG2-CD2 3.82Å; L416-L505 HydrophobicContact CD1-CB 4.2Å; L416-L505 HydrophobicContact CD1-CD2 4.24Å; V419-L505 HydrophobicContact CB-CD2 4.31Å; V419-L505 HydrophobicContact CG1-CD2 3.91Å; V419-L505 HydrophobicContact CG2-CD2 3.73Å; A502-L505 HydrophobicContact CB-CD2 3.62Å; A502-L505 HydrophobicContact CB-CG 4.44Å; L505-Y507 HydrophobicContact CB-CD2 4.11Å; L505-Y507 HydrophobicContact CB-CE2 3.75Å; L505-Y507 HydrophobicContact CD1-CE2 4.21Å
506	F	98.2	Very high	81	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.6	175.3	-69.7	-105.4	0	0	0	109.1	L63 A66 M67 L73 F144 V318 R417 S418 I420 L504	L63-F506 HydrophobicContact CD1-CE2 4.42Å; L63-F506 HydrophobicContact CD1-CZ 3.76Å; A66-F506 HydrophobicContact CB-CD2 3.91Å; A66-F506 HydrophobicContact CB-CE2 3.79Å; A66-F506 HydrophobicContact CB-CZ 4.32Å; M67-F506 HydrophobicContact CG-CE1 4.19Å; M67-F506 HydrophobicContact CG-CZ 4.49Å; L73-F506 HydrophobicContact CD2-CD1 4.41Å; L73-F506 HydrophobicContact CD2-CE1 4.18Å; F144-F506 HydrophobicContact CD2-CE1 4.17Å; F144-F506 HydrophobicContact CD2-CZ 4.19Å; F144-F506 AromaticContact CE2-CE1 3.78Å; F144-F506 HydrophobicContact CE2-CE1 3.78Å; F144-F506 HydrophobicContact CE2-CZ 4.25Å; F144-F506 HydrophobicContact CZ-CE1 4.14Å; V318-F506 HydrophobicContact CG1-CD1 4.33Å; V318-F506 HydrophobicContact CG1-CD2 4.4Å; V318-F506 HydrophobicContact CG1-CE1 4.09Å; V318-F506 HydrophobicContact CG1-CE2 4.16Å; V318-F506 HydrophobicContact CG1-CG 4.47Å; V318-F506 HydrophobicContact CG1-CZ 3.99Å; V318-F506 HydrophobicContact CG2-CD1 3.54Å; V318-F506 HydrophobicContact CG2-CE1 3.58Å; V318-F506 HydrophobicContact CG2-CG 4.25Å; V318-F506 HydrophobicContact CG2-CZ 4.31Å; R417-F506 PolarHBondContact N-O 3.22Å; S418-F506 PolarHBondContact N-O 3.13Å; S418-F506 PolarHBondContact O-N 3.31Å; S418-F506 VanDerWaalsContact OG-CB 3.27Å; S418-F506 WeakPolarHBondContact OG-CB 3.37Å; I420-F506 HydrophobicContact CD1-CE2 3.85Å; I420-F506 HydrophobicContact CG1-CE2 4.21Å; L504-F506 HydrophobicContact CB-CE2 4Å
507	Y	97.4	Very high	78.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155	178.5	-80.8	-86.1	0	0	0	110	N70 L317 L319 I362 P363 L366 V415 L416 L505	N70-Y507 PolarHBondContact ND2-O 2.73Å; L317-Y507 PolarHBondContact N-O 3.41Å; L317-Y507 WeakPolarHBondContact O-CB 3.18Å; L317-Y507 PolarHBondContact O-N 2.72Å; L319-Y507 HydrophobicContact CD1-CD2 4.25Å; L319-Y507 HydrophobicContact CD1-CE2 3.95Å; L319-Y507 HydrophobicContact CG-CD2 4.39Å; I362-Y507 VanDerWaalsContact CG2-OH 3.25Å; I362-Y507 WeakPolarHBondContact CG2-OH 3.32Å; P363-Y507 PolarHBondContact O-OH 2.66Å; L366-Y507 HydrophobicContact CB-CD1 3.99Å; L366-Y507 HydrophobicContact CB-CE1 3.65Å; L366-Y507 HydrophobicContact CD2-CD1 4.49Å; L366-Y507 HydrophobicContact CD2-CD2 4.23Å; L366-Y507 HydrophobicContact CD2-CE1 4.38Å; L366-Y507 HydrophobicContact CD2-CE2 4.08Å; L366-Y507 HydrophobicContact CD2-CG 4.44Å; V415-Y507 VanDerWaalsContact C-CD1 3.43Å; V415-Y507 CarbonylContact O-C 3.6Å; V415-Y507 WeakPolarHBondContact O-CA 3.44Å; L416-Y507 HydrophobicContact CB-CD1 4.09Å; L416-Y507 HydrophobicContact CB-CE1 3.66Å; L416-Y507 HydrophobicContact CD1-CD1 4.29Å; L416-Y507 HydrophobicContact CD1-CD2 3.97Å; L416-Y507 HydrophobicContact CD1-CE1 3.88Å; L416-Y507 HydrophobicContact CD1-CE2 3.55Å; L416-Y507 HydrophobicContact CD1-CG 4.32Å; L416-Y507 VanDerWaalsContact CD1-CZ 3.49Å; L416-Y507 HydrophobicContact CG-CE1 4.35Å; L505-Y507 HydrophobicContact CB-CD2 4.11Å; L505-Y507 HydrophobicContact CB-CE2 3.75Å; L505-Y507 HydrophobicContact CD1-CE2 4.21Å
508	E	94.7	Very high	76.3	Confident	9 Å²	9	48.1 Å²	48.1	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.9	171.9	-176.9	176.2	-146.2	0	0	109.5	P71 S72 R75 K315 Y414 V415 R417 L510	P71-E508 WeakPolarHBondContact CD-OE2 3.49Å; S72-E508 VanDerWaalsContact CB-OE1 3.31Å; S72-E508 WeakPolarHBondContact CB-OE1 3.38Å; S72-E508 PolarHBondContact N-OE1 2.78Å; S72-E508 WeakPolarHBondContact OG-CG 3.29Å; S72-E508 PolarHBondContact OG-OE1 3.22Å; R75-E508 IonicContact NH2-OE1 3.64Å; R75-E508 PolarHBondContact NH2-OE1 2.74Å; K315-E508 CarbonylContact O-C 3.56Å; K315-E508 WeakPolarHBondContact O-CA 3.39Å; Y414-E508 CarbonylContact C-O 3.33Å; Y414-E508 VanDerWaalsContact CA-O 3.27Å; Y414-E508 WeakPolarHBondContact CA-O 3.1Å; Y414-E508 VanDerWaalsContact CD1-C 3.45Å; V415-E508 WeakPolarHBondContact CG1-O 3.35Å; V415-E508 PolarHBondContact N-O 2.85Å; V415-E508 PolarHBondContact O-N 3.31Å; R417-E508 HydrophobicContact CG-CB 3.64Å; R417-E508 IonicContact CZ-OE2 2.83Å; R417-E508 VanDerWaalsContact CZ-OE2 3.27Å; R417-E508 IonicContact NE-OE2 3.46Å; R417-E508 PolarHBondContact NE-OE2 3.36Å; R417-E508 IonicContact NH2-OE2 2.66Å; R417-E508 PolarHBondContact NH2-OE2 3.42Å; E508-L510 PolarHBondContact O-N 3.46Å
509	R	92.1	Very high	73.7	Confident	66 Å²	66	47.8 Å²	47.8	25%	0.249	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.3	177.7	-173.4	163.1	59.4	-159.5	1.7	109.6	T313 K315 K412 Y414 C511	T313-R509 PolarHBondContact O-NH1 3.09Å; K315-R509 VanDerWaalsContact CG-NH2 3.25Å; K315-R509 PolarHBondContact O-N 3.23Å; K412-R509 HydrophobicContact CB-CG 4.05Å; Y414-R509 HydrophobicContact CD1-CB 3.97Å; Y414-R509 VanDerWaalsContact CD1-N 3.25Å; Y414-R509 HydrophobicContact CE1-CB 3.66Å; R509-C511 PolarHBondContact O-N 3.12Å
510	L	88.3	Confident	71.5	Confident	17 Å²	17	45.9 Å²	45.9	9%	0.089	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63	131.5	176.4	-67.7	-179.9	0	0	0	110.4	F365 K412 P413 V415 E508 D514 I520	F365-L510 HydrophobicContact CD1-CD1 4.18Å; F365-L510 HydrophobicContact CE1-CD1 4.07Å; K412-L510 WeakPolarHBondContact CB-O 3.15Å; K412-L510 WeakPolarHBondContact CD-O 3.29Å; P413-L510 HydrophobicContact CG-CD1 4.09Å; P413-L510 PolarHBondContact O-N 3Å; V415-L510 HydrophobicContact CB-CD2 3.8Å; V415-L510 HydrophobicContact CB-CG 4.33Å; V415-L510 HydrophobicContact CG1-CD2 3.45Å; V415-L510 VanDerWaalsContact CG1-CD2 3.45Å; V415-L510 HydrophobicContact CG1-CG 4.26Å; E508-L510 PolarHBondContact O-N 3.46Å; L510-D514 HydrophobicContact CD2-CB 3.73Å; L510-I520 HydrophobicContact CD1-CD1 4.49Å
511	C	74.6	Confident	68.7	Low	59 Å²	59	53.5 Å²	53.5	40%	0.399	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-87.8	158.2	162.2	63.2	0	0	0	0	109.1	R509 W513 D514	R509-C511 PolarHBondContact O-N 3.12Å; C511-W513 PolarHBondContact O-N 3.02Å; C511-D514 PolarHBondContact O-N 3.33Å; C511-D514 VanDerWaalsContact O-N 3.1Å
512	G	55.1	Low	66.1	Low	50 Å²	50	55.2 Å²	55.2	52%	0.515	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-5.8	-172.9	0	0	0	0	0	116
513	W	42.7	Very low	63.1	Low	174 Å²	174	59.1 Å²	59.1	66%	0.659	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-5.9	180	-87.1	52.6	0	0	0	114.4	C511 D515	C511-W513 PolarHBondContact O-N 3.02Å; W513-D515 PolarHBondContact O-N 2.89Å
514	D	44.2	Very low	60.2	Low	10 Å²	10	67 Å²	67	5%	0.053	35%	0.348	C	S	.	.	H	α-helix	trans	-72.5	-13.5	-178.6	-94.8	-0.5	0	0	0	113.2	R417 L510 C511 Q516 R517 F518	R417-D514 IonicContact NH2-OD2 2.97Å; R417-D514 PolarHBondContact NH2-OD2 3.2Å; L510-D514 HydrophobicContact CD2-CB 3.73Å; C511-D514 PolarHBondContact O-N 3.33Å; C511-D514 VanDerWaalsContact O-N 3.1Å; D514-Q516 VanDerWaalsContact C-N 3.33Å; D514-Q516 PolarHBondContact O-N 3.36Å; D514-R517 PolarHBondContact O-N 3.47Å; D514-R517 IonicContact OD1-NE 2.61Å; D514-F518 HydrophobicContact CB-CD2 4.17Å; D514-F518 HydrophobicContact CB-CE2 4.29Å; D514-F518 PolarHBondContact O-N 2.84Å
515	D	39	Very low	57.4	Low	62 Å²	62	70.9 Å²	70.9	33%	0.332	37%	0.368	S	S	.	.	H	α-helix	trans	-60.2	-35.4	179.2	-84.7	-19.2	0	0	0	113.6	W513 I520 I525	W513-D515 PolarHBondContact O-N 2.89Å; D515-I520 PolarHBondContact O-N 2.84Å; D515-I525 WeakPolarHBondContact OD2-CD1 3.2Å
516	Q	38	Very low	54.2	Low	182 Å²	182	73.5 Å²	73.5	85%	0.85	39%	0.39	S	S	*	.	H	α-helix	trans	-87.4	-27.7	179.7	-66.5	-178.8	8.1	0	0	113	D514	D514-Q516 VanDerWaalsContact C-N 3.33Å; D514-Q516 PolarHBondContact O-N 3.36Å
517	R	39.8	Very low	50.9	Low	96 Å²	96	81 Å²	81	36%	0.362	43%	0.43	S	S	.	.	H	α-helix	trans	-76.4	-34.6	-171.7	-63.7	-175.1	-148.4	-131.7	-3.5	113.9	D514 I553 S555	D514-R517 PolarHBondContact O-N 3.47Å; D514-R517 IonicContact OD1-NE 2.61Å; R517-I553 PolarHBondContact NH1-O 2.99Å; R517-S555 PolarHBondContact NH2-OG 2.88Å
518	F	46.7	Very low	47.7	Very low	81 Å²	81	84.4 Å²	84.4	36%	0.355	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	9	-176	-65.5	-74.1	0	0	0	113.3	R417 D514 I520	R417-F518 VanDerWaalsContact NH1-CE2 3.27Å; D514-F518 HydrophobicContact CB-CD2 4.17Å; D514-F518 HydrophobicContact CB-CE2 4.29Å; D514-F518 PolarHBondContact O-N 2.84Å; F518-I520 HydrophobicContact CB-CD1 4.27Å; F518-I520 HydrophobicContact CB-CG1 3.91Å; F518-I520 PolarHBondContact O-N 2.85Å
519	G	37.1	Very low	44.6	Very low	62 Å²	62	89.8 Å²	89.8	64%	0.639	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	34.9	-176.2	0	0	0	0	0	112.4	K521	G519-K521 PolarHBondContact O-N 3.4Å
520	I	43.8	Very low	41.4	Very low	34 Å²	34	91.3 Å²	91.3	17%	0.174	51%	0.513	C	S	.	.			trans	-67.9	106.4	179.5	-57.1	178.5	0	0	0	106.4	F365 L510 D515 F518 S522	F365-I520 HydrophobicContact CE1-CD1 3.94Å; F365-I520 HydrophobicContact CZ-CD1 4.02Å; F365-I520 HydrophobicContact CZ-CG1 4.21Å; L510-I520 HydrophobicContact CD1-CD1 4.49Å; D515-I520 PolarHBondContact O-N 2.84Å; F518-I520 HydrophobicContact CB-CD1 4.27Å; F518-I520 HydrophobicContact CB-CG1 3.91Å; F518-I520 PolarHBondContact O-N 2.85Å; I520-S522 PolarHBondContact O-N 3.4Å; I520-S522 VanDerWaalsContact O-N 3.12Å
521	K	33.2	Very low	38.3	Very low	165 Å²	165	98.6 Å²	98.6	72%	0.717	55%	0.546	S	S	*	.			trans	-57.3	122	170.9	-72.6	-179.6	178.8	176.6	0	107.2	G519 T523	G519-K521 PolarHBondContact O-N 3.4Å; K521-T523 PolarHBondContact O-N 3.15Å; K521-T523 PolarHBondContact O-OG1 3.13Å
522	S	36.5	Very low	35.7	Very low	91 Å²	91	106.8 Å²	106.8	64%	0.636	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	8.2	176.2	44.4	0	0	0	0	114.7	I520 F524 I525 A526	I520-S522 PolarHBondContact O-N 3.4Å; I520-S522 VanDerWaalsContact O-N 3.12Å; S522-F524 VanDerWaalsContact C-N 3.32Å; S522-F524 PolarHBondContact O-N 2.98Å; S522-I525 PolarHBondContact O-N 2.7Å; S522-A526 WeakPolarHBondContact O-CB 3.27Å; S522-A526 PolarHBondContact O-N 3.26Å
523	T	31.8	Very low	34.4	Very low	83 Å²	83	109.4 Å²	109.4	51%	0.509	59%	0.586	S	S	.	*	H	α-helix	trans	-68.1	-24.2	175.9	48.4	0	0	0	0	113.8	K521 N527	K521-T523 PolarHBondContact O-N 3.15Å; K521-T523 PolarHBondContact O-OG1 3.13Å; T523-N527 PolarHBondContact O-N 3.17Å
524	F	35.6	Very low	33.4	Very low	165 Å²	165	109 Å²	109	72%	0.724	59%	0.591	S	S	*	*	H	α-helix	trans	-76.6	-32.8	174.1	-83.9	-78.9	0	0	0	113	S522	S522-F524 VanDerWaalsContact C-N 3.32Å; S522-F524 PolarHBondContact O-N 2.98Å
525	I	37.7	Very low	32.3	Very low	82 Å²	82	116.7 Å²	116.7	42%	0.421	63%	0.626	S	S	.	*	H	α-helix	trans	-75.8	-34.7	173.7	-61.6	176.6	0	0	0	110	D515 S522 N527 G528 I529	D515-I525 WeakPolarHBondContact OD2-CD1 3.2Å; S522-I525 PolarHBondContact O-N 2.7Å; I525-N527 VanDerWaalsContact C-N 3.3Å; I525-N527 PolarHBondContact O-N 3.23Å; I525-G528 PolarHBondContact O-N 2.82Å; I525-G528 VanDerWaalsContact O-N 3.09Å; I525-I529 HydrophobicContact CG2-CD1 3.45Å; I525-I529 VanDerWaalsContact CG2-CD1 3.45Å; I525-I529 HydrophobicContact CG2-CG1 4.26Å; I525-I529 WeakPolarHBondContact O-CG1 3.33Å; I525-I529 PolarHBondContact O-N 2.97Å
526	A	31.8	Very low	31.7	Very low	56 Å²	56	118.8 Å²	118.8	46%	0.463	65%	0.646	S	S	.	*	H	α-helix	trans	-63.9	-28.3	179.2	0	0	0	0	0	114.4	S522 G528 I529	S522-A526 WeakPolarHBondContact O-CB 3.27Å; S522-A526 PolarHBondContact O-N 3.26Å; A526-G528 PolarHBondContact O-N 3.48Å; A526-I529 PolarHBondContact O-N 3.31Å
527	N	29.9	Very low	30.9	Very low	158 Å²	158	117.4 Å²	117.4	85%	0.845	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-0.8	176.3	-81.1	-3.9	0	0	0	114	T523 I525	T523-N527 PolarHBondContact O-N 3.17Å; I525-N527 VanDerWaalsContact C-N 3.3Å; I525-N527 PolarHBondContact O-N 3.23Å
528	G	30	Very low	30.1	Very low	70 Å²	70	121.2 Å²	121.2	72%	0.722	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-9.5	167.2	0	0	0	0	0	114.8	I525 A526	I525-G528 PolarHBondContact O-N 2.82Å; I525-G528 VanDerWaalsContact O-N 3.09Å; A526-G528 PolarHBondContact O-N 3.48Å
529	I	29.5	Very low	28.9	Very low	123 Å²	123	123.3 Å²	123.3	63%	0.631	69%	0.686	S	S	*	*			trans	-110.2	96.4	-170.8	-59.3	179	0	0	0	110.1	I525 A526	I525-I529 HydrophobicContact CG2-CD1 3.45Å; I525-I529 VanDerWaalsContact CG2-CD1 3.45Å; I525-I529 HydrophobicContact CG2-CG1 4.26Å; I525-I529 WeakPolarHBondContact O-CG1 3.33Å; I525-I529 PolarHBondContact O-N 2.97Å; A526-I529 PolarHBondContact O-N 3.31Å
530	S	23.5	Very low	28.4	Very low	98 Å²	98	128.5 Å²	128.5	69%	0.685	70%	0.698	S	S	*	*			trans	-97	124.2	164	-162.6	0	0	0	0	109.6
531	H	23.1	Very low	27.3	Very low	169 Å²	169	131.9 Å²	131.9	78%	0.782	72%	0.724	S	S	*	*	S	Bend	trans	75	110.6	164.8	-65	-68	0	0	0	121
532	R	21.3	Very low	27.1	Very low	232 Å²	232	130 Å²	130	88%	0.875	73%	0.729	S	S	*	*			trans	82.7	91.5	130.6	-160.9	-177.7	-157.4	169.4	5	118.2
533	A	27.3	Very low	26.6	Very low	105 Å²	105	132.3 Å²	132.3	87%	0.868	74%	0.739	S	S	*	*			trans	-149.8	126.3	138.1	0	0	0	0	0	110.5
534	Q	20.9	Very low	26.2	Very low	165 Å²	165	137.2 Å²	137.2	77%	0.771	76%	0.756	S	S	*	*			trans	-93.9	147.8	-177.8	-74.4	172.5	-36.2	0	0	110.4
535	H	22.6	Very low	25.8	Very low	171 Å²	171	138.5 Å²	138.5	79%	0.792	76%	0.764	S	S	*	*			trans	47.3	116.2	149	-70.5	-69.4	0	0	0	120.4
536	S	26.4	Very low	25.1	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.782	S	S	*	*				-167	124.6	115	41	0	0	0	0	111.2
537	N	20.1	Very low	24.9	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	80%	0.804	S	S	*	*			trans	-84.2	125.4	171.5	-75.6	-22	0	0	0	108.3
538	H	24.2	Very low	24.8	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.815	79%	0.794	S	S	*	*			trans	-120.4	108.6	160.9	-91.2	-71.1	0	0	0	110.3
539	T	20	Very low	24.7	Very low	126 Å²	126	143.9 Å²	143.9	77%	0.773	80%	0.796	S	S	*	*			trans	-68.3	125.8	169	-50.5	0	0	0	0	109.7
540	L	26.5	Very low	24.6	Very low	171 Å²	171	143.9 Å²	143.9	90%	0.895	79%	0.793	S	S	*	*			trans	-126.9	125	162	-83.8	164.6	0	0	0	109.6
541	S	21.7	Very low	24.9	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-79	167.5	-179.7	-99.4	0	0	0	0	112.6
542	P	28	Very low	25.4	Very low	125 Å²	125	137.2 Å²	137.2	81%	0.812	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-88.5	140.9	-154.3	34	-33	0	0	0	113.8
543	V	27.3	Very low	25.5	Very low	140 Å²	140	132.9 Å²	132.9	85%	0.848	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-100.3	135	170.7	173.9	0	0	0	0	108.9
544	E	23.3	Very low	25.8	Very low	187 Å²	187	132.6 Å²	132.6	87%	0.874	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-58.9	133.2	-172	-67.3	174.5	145.3	0	0	113.8
545	E	25.7	Very low	26.1	Very low	191 Å²	191	126.6 Å²	126.6	89%	0.893	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-74.8	118.1	-174.4	-67.1	174.8	153.1	0	0	111.7
546	T	24.2	Very low	26.3	Very low	130 Å²	130	124.7 Å²	124.7	80%	0.798	70%	0.696	S	S	*	*			trans	-116.6	111.8	161	36.6	0	0	0	0	109.3	T548	T546-T548 PolarHBondContact O-N 2.75Å
547	D	27.6	Very low	26.3	Very low	172 Å²	172	126.5 Å²	126.5	92%	0.92	70%	0.698	S	S	*	*			trans	39.6	70.4	158.4	-127	0.1	0	0	0	117.3	G549	D547-G549 PolarHBondContact O-N 2.7Å
548	T	27.3	Very low	26.8	Very low	103 Å²	103	123.7 Å²	123.7	63%	0.632	68%	0.68	S	S	*	*			trans	-84.7	96.6	171.2	48.8	0	0	0	0	111	T546 H550	T546-T548 PolarHBondContact O-N 2.75Å; T548-H550 PolarHBondContact O-CE1 2.99Å; T548-H550 VanDerWaalsContact O-CE1 3.26Å; T548-H550 PolarHBondContact O-N 3.25Å; T548-H550 PolarHBondContact O-ND1 3.21Å; T548-H550 PolarHBondContact O-NE2 3.48Å
549	G	28.2	Very low	27	Very low	74 Å²	74	120.6 Å²	120.6	76%	0.763	68%	0.677	S	S	*	*			trans	-56.3	107.3	161	0	0	0	0	0	110.5	D547 S551	D547-G549 PolarHBondContact O-N 2.7Å; G549-S551 PolarHBondContact O-N 3.43Å
550	H	27.9	Very low	27.7	Very low	124 Å²	124	121.4 Å²	121.4	57%	0.574	68%	0.676	S	S	*	*			trans	-72.3	100.5	-171.1	-55	-64.7	0	0	0	113.4	T548	T548-H550 PolarHBondContact O-CE1 2.99Å; T548-H550 VanDerWaalsContact O-CE1 3.26Å; T548-H550 PolarHBondContact O-N 3.25Å; T548-H550 PolarHBondContact O-ND1 3.21Å; T548-H550 PolarHBondContact O-NE2 3.48Å
551	S	28.5	Very low	28.1	Very low	66 Å²	66	117.2 Å²	117.2	46%	0.462	66%	0.662	S	S	.	*	S	Bend	trans	-169.7	142	150.9	55.9	0	0	0	0	111.9	G549	G549-S551 PolarHBondContact O-N 3.43Å
552	E	33.7	Very low	28.7	Very low	61 Å²	61	113.7 Å²	113.7	29%	0.285	63%	0.634	S	S	.	*			trans	28.1	85	168.6	-76.4	163.4	-125.6	0	0	117.9	H439 Y554 K576	H439-E552 IonicContact CE1-OE1 2.84Å; H439-E552 PolarHBondContact CE1-OE1 3.39Å; H439-E552 IonicContact NE2-OE1 2.84Å; H439-E552 PolarHBondContact NE2-OE1 2.99Å; E552-Y554 VanDerWaalsContact C-N 3.35Å; E552-Y554 HydrophobicContact CB-CD2 4.43Å; E552-Y554 HydrophobicContact CB-CE2 4.39Å; E552-Y554 HydrophobicContact CG-CE2 4.38Å; E552-Y554 PolarHBondContact O-N 2.92Å; E552-Y554 VanDerWaalsContact O-N 3.17Å; E552-K576 IonicContact OE1-NZ 3.69Å; E552-K576 PolarHBondContact OE1-NZ 3.03Å; E552-K576 IonicContact OE2-NZ 2.79Å; E552-K576 PolarHBondContact OE2-NZ 3.27Å
553	I	24.2	Very low	28.7	Very low	140 Å²	140	111.1 Å²	111.1	72%	0.718	62%	0.624	S	S	*	*			trans	-79.6	91	154	-56.2	174.5	0	0	0	106.9	R517 S555	R517-I553 PolarHBondContact NH1-O 2.99Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 3.4Å
554	Y	33.4	Very low	29	Very low	99 Å²	99	108.4 Å²	108.4	39%	0.388	61%	0.611	S	S	.	*			trans	-65	108	146.3	-72.2	-78.9	0	0	0	104.5	P71 E552 E556	P71-Y554 HydrophobicContact CB-CE1 4.26Å; P71-Y554 HydrophobicContact CG-CE1 4.21Å; P71-Y554 WeakPolarHBondContact CG-OH 2.9Å; E552-Y554 VanDerWaalsContact C-N 3.35Å; E552-Y554 HydrophobicContact CB-CD2 4.43Å; E552-Y554 HydrophobicContact CB-CE2 4.39Å; E552-Y554 HydrophobicContact CG-CE2 4.38Å; E552-Y554 PolarHBondContact O-N 2.92Å; E552-Y554 VanDerWaalsContact O-N 3.17Å; Y554-E556 PolarHBondContact O-N 3.3Å
555	S	26.5	Very low	29.8	Very low	40 Å²	40	101.5 Å²	101.5	28%	0.28	58%	0.582	S	S	.	*			trans	-57.9	104.5	172.6	47.5	0	0	0	0	107.4	R517 I553 D557	R517-S555 PolarHBondContact NH2-OG 2.88Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 3.4Å; S555-D557 PolarHBondContact O-N 3.13Å
556	E	28.5	Very low	30.3	Very low	130 Å²	130	95.4 Å²	95.4	61%	0.607	56%	0.555	S	S	*	*			trans	-49	113.6	149.9	-58.3	179.5	162.2	0	0	105.6	Y554	Y554-E556 PolarHBondContact O-N 3.3Å
557	D	25.3	Very low	30.8	Very low	146 Å²	146	97.5 Å²	97.5	78%	0.781	55%	0.553	S	S	*	*			trans	168.5	78.2	159.7	-81	-22.1	0	0	0	109.1	S555	S555-D557 PolarHBondContact O-N 3.13Å
558	E	30.1	Very low	31.6	Very low	92 Å²	92	93.8 Å²	93.8	43%	0.43	53%	0.53	S	S	.	.			trans	-99.2	92.5	152.8	-97.9	-176.9	-169.3	0	0	107.8	K315	K315-E558 IonicContact NZ-OE1 3.68Å; K315-E558 PolarHBondContact NZ-OE1 2.78Å; K315-E558 IonicContact NZ-OE2 4Å; K315-E558 PolarHBondContact NZ-OE2 2.8Å
559	C	28.4	Very low	32.7	Very low	112 Å²	112	92 Å²	92	76%	0.757	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	107.1	150.1	-61	0	0	0	0	105.5
560	D	34.4	Very low	34	Very low	142 Å²	142	91.7 Å²	91.7	76%	0.759	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn		-164	24.5	71	-93.6	-27.3	0	0	0	112.4
561	S	36.5	Very low	35.6	Very low	84 Å²	84	86.9 Å²	86.9	59%	0.587	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.9	-21.3	177.9	-52.3	0	0	0	0	116.7
562	D	34	Very low	37.1	Very low	29 Å²	29	89.6 Å²	89.6	16%	0.155	48%	0.482	C	S	.	.			trans	-92.7	5.6	-177	-94	-1.7	0	0	0	114	R79 K315 S564 T565 D566	R79-D562 IonicContact NH2-OD2 3.39Å; R79-D562 PolarHBondContact NH2-OD2 2.63Å; R79-D562 VanDerWaalsContact NH2-OD2 3.13Å; K315-D562 IonicContact NZ-OD2 3.02Å; D562-S564 PolarHBondContact O-N 3.09Å; D562-T565 WeakPolarHBondContact O-CB 3.26Å; D562-T565 PolarHBondContact O-N 2.91Å; D562-D566 PolarHBondContact O-N 3.06Å
563	A	28.4	Very low	39	Very low	71 Å²	71	94.8 Å²	94.8	59%	0.587	51%	0.512	S	S	*	.	H	α-helix	trans	-58.3	-18.1	179.2	0	0	0	0	0	114.9
564	S	33.4	Very low	41.9	Very low	83 Å²	83	91 Å²	91	58%	0.58	49%	0.493	S	S	*	.	H	α-helix	trans	-79.7	-32.1	172.8	76.7	0	0	0	0	112.9	D562	D562-S564 PolarHBondContact O-N 3.09Å
565	T	40.1	Very low	44.6	Very low	42 Å²	42	88.5 Å²	88.5	26%	0.258	49%	0.49	S	S	.	.	H	α-helix	trans	-82	-37.2	-175.4	-36.4	0	0	0	0	111.4	D562 K567 Q568	D562-T565 WeakPolarHBondContact O-CB 3.26Å; D562-T565 PolarHBondContact O-N 2.91Å; T565-K567 PolarHBondContact O-N 3.33Å; T565-Q568 PolarHBondContact O-N 2.92Å
566	D	36.2	Very low	47.7	Very low	63 Å²	63	88.8 Å²	88.8	34%	0.337	49%	0.486	S	S	.	.	H	α-helix	trans	-58.9	-39.5	-178.4	-88.7	-19.6	0	0	0	111.2	D562 Q568 R572	D562-D566 PolarHBondContact O-N 3.06Å; D566-Q568 PolarHBondContact O-N 3.49Å; D566-Q568 VanDerWaalsContact O-N 3.13Å; D566-R572 PolarHBondContact O-NE 2.89Å; D566-R572 PolarHBondContact O-NH2 3.29Å
567	K	34.9	Very low	50.8	Low	175 Å²	175	82.6 Å²	82.6	76%	0.761	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9	177.8	-71.5	-177	179	176.9	0	114.7	T565	T565-K567 PolarHBondContact O-N 3.33Å
568	Q	44.5	Very low	54.1	Low	93 Å²	93	78.4 Å²	78.4	44%	0.435	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-2.4	-166.8	-75.9	177.7	-11.1	0	0	115.9	Y82 T565 D566 V570	Y82-Q568 WeakPolarHBondContact CE2-O 3.44Å; T565-Q568 PolarHBondContact O-N 2.92Å; D566-Q568 PolarHBondContact O-N 3.49Å; D566-Q568 VanDerWaalsContact O-N 3.13Å; Q568-V570 PolarHBondContact O-N 3.16Å; Q568-V570 VanDerWaalsContact O-N 3.17Å
569	C	48.5	Very low	57.2	Low	67 Å²	67	75.4 Å²	75.4	45%	0.453	42%	0.421	S	S	.	.			trans	-70.6	113.6	178.2	-155	0	0	0	0	110.8	F571 R572	C569-F571 PolarHBondContact O-N 3.38Å; C569-R572 HydrophobicContact CB-CG 4.4Å; C569-R572 PolarHBondContact O-N 2.98Å
570	V	56.7	Low	60.4	Low	67 Å²	67	70 Å²	70	41%	0.406	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.8	-177.6	177.4	0	0	0	0	112.9	Y82 Q568 F602	Y82-V570 HydrophobicContact CD2-CG2 4.09Å; Y82-V570 HydrophobicContact CE2-CG2 4.12Å; Q568-V570 PolarHBondContact O-N 3.16Å; Q568-V570 VanDerWaalsContact O-N 3.17Å; V570-F602 HydrophobicContact CG1-CZ 4.2Å
571	F	61	Low	63.3	Low	22 Å²	22	67.5 Å²	67.5	10%	0.096	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	21.3	-172	-54.9	-58.8	0	0	0	115.3	C569 N573 L574 I579 Y583 Y586	C569-F571 PolarHBondContact O-N 3.38Å; F571-N573 PolarHBondContact O-N 2.96Å; F571-L574 HydrophobicContact CB-CD1 3.92Å; F571-L574 HydrophobicContact CD1-CD1 3.6Å; F571-L574 HydrophobicContact CG-CD1 4.22Å; F571-L574 WeakPolarHBondContact O-CB 3.47Å; F571-L574 PolarHBondContact O-N 3.03Å; F571-I579 HydrophobicContact CB-CD1 4.4Å; F571-I579 HydrophobicContact CB-CG1 3.88Å; F571-I579 HydrophobicContact CG-CG1 4.29Å; F571-Y583 HydrophobicContact CE2-CD1 4.28Å; F571-Y583 AromaticContact CE2-CE1 3.58Å; F571-Y583 HydrophobicContact CE2-CE1 3.58Å; F571-Y583 HydrophobicContact CE2-CE2 4.22Å; F571-Y583 AromaticContact CE2-CZ 3.53Å; F571-Y583 HydrophobicContact CZ-CD1 4.35Å; F571-Y583 HydrophobicContact CZ-CE1 4.07Å; F571-Y586 AromaticContact CE1-CE2 3.93Å; F571-Y586 HydrophobicContact CE1-CE2 3.93Å; F571-Y586 HydrophobicContact CZ-CD2 4.34Å; F571-Y586 AromaticContact CZ-CE2 3.67Å; F571-Y586 HydrophobicContact CZ-CE2 3.67Å
572	R	59.6	Low	66	Low	124 Å²	124	64.3 Å²	64.3	47%	0.468	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	136.3	175.2	-82.9	-179.2	167.2	-143.8	-14.1	111.2	D566 C569 L574	D566-R572 PolarHBondContact O-NE 2.89Å; D566-R572 PolarHBondContact O-NH2 3.29Å; C569-R572 HydrophobicContact CB-CG 4.4Å; C569-R572 PolarHBondContact O-N 2.98Å; R572-L574 PolarHBondContact O-N 3.41Å
573	N	75.3	Confident	68.9	Low	170 Å²	170	63.2 Å²	63.2	91%	0.909	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	9.8	178.6	-54.7	-25.1	0	0	0	116.7	F571	F571-N573 PolarHBondContact O-N 2.96Å
574	L	84.7	Confident	72	Confident	60 Å²	60	60.1 Å²	60.1	31%	0.314	31%	0.311	S	S	.	.			trans	-82.3	147.3	173.4	-70	-179.5	0	0	0	111.7	F571 R572 D578 I579	F571-L574 HydrophobicContact CB-CD1 3.92Å; F571-L574 HydrophobicContact CD1-CD1 3.6Å; F571-L574 HydrophobicContact CG-CD1 4.22Å; F571-L574 WeakPolarHBondContact O-CB 3.47Å; F571-L574 PolarHBondContact O-N 3.03Å; R572-L574 PolarHBondContact O-N 3.41Å; L574-D578 HydrophobicContact CB-CB 4.15Å; L574-D578 HydrophobicContact CD2-CB 4.17Å; L574-I579 HydrophobicContact CB-CD1 4.49Å; L574-I579 HydrophobicContact CB-CG1 3.93Å
575	S	90.5	Very high	74.9	Confident	47 Å²	47	60.7 Å²	60.7	33%	0.329	31%	0.307	S	S	.	.			trans	-64.6	155.9	169.5	78.2	0	0	0	0	110.6	A577 D578 I579	S575-A577 PolarHBondContact O-N 2.97Å; S575-D578 WeakPolarHBondContact CB-OD2 3.28Å; S575-D578 PolarHBondContact O-N 2.61Å; S575-D578 PolarHBondContact OG-N 2.97Å; S575-D578 VanDerWaalsContact OG-N 3.14Å; S575-D578 PolarHBondContact OG-OD2 3.17Å; S575-I579 WeakPolarHBondContact O-CG1 3.27Å; S575-I579 PolarHBondContact O-N 2.83Å
576	K	90.3	Very high	77.3	Confident	45 Å²	45	62.7 Å²	62.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-53.5	-39.7	173.5	-69.9	-174.2	172.5	-163.3	0	111.8	Y105 E552 D578 I579 I580	Y105-K576 HydrophobicContact CE1-CB 4.08Å; E552-K576 IonicContact OE1-NZ 3.69Å; E552-K576 PolarHBondContact OE1-NZ 3.03Å; E552-K576 IonicContact OE2-NZ 2.79Å; E552-K576 PolarHBondContact OE2-NZ 3.27Å; K576-D578 VanDerWaalsContact C-N 3.35Å; K576-D578 PolarHBondContact O-N 2.84Å; K576-I579 PolarHBondContact O-N 3.17Å; K576-I580 WeakPolarHBondContact O-CD1 3.49Å; K576-I580 WeakPolarHBondContact O-CG1 3.48Å; K576-I580 PolarHBondContact O-N 2.89Å
577	A	93.9	Very high	79.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-41.2	176.6	0	0	0	0	0	112.4	Y105 N109 L111 S575 I580 R581	Y105-A577 HydrophobicContact CE1-CB 4.11Å; Y105-A577 WeakPolarHBondContact OH-CB 3.48Å; Y105-A577 PolarHBondContact OH-N 2.83Å; N109-A577 HydrophobicContact CB-CB 3.9Å; L111-A577 HydrophobicContact CD1-CB 3.92Å; L111-A577 HydrophobicContact CD2-CB 4.41Å; S575-A577 PolarHBondContact O-N 2.97Å; A577-I580 PolarHBondContact O-N 3.25Å; A577-R581 WeakPolarHBondContact O-CB 3.45Å; A577-R581 VanDerWaalsContact O-CG 3.27Å; A577-R581 WeakPolarHBondContact O-CG 3.46Å; A577-R581 PolarHBondContact O-N 3.13Å
578	D	95.2	Very high	81.9	Confident	59 Å²	59	55.4 Å²	55.4	32%	0.316	29%	0.286	S	S	.	.	H	α-helix	trans	-72.1	-35.2	179.4	-60	-38.1	0	0	0	112.2	L574 S575 K576 R581 S582	L574-D578 HydrophobicContact CB-CB 4.15Å; L574-D578 HydrophobicContact CD2-CB 4.17Å; S575-D578 WeakPolarHBondContact CB-OD2 3.28Å; S575-D578 PolarHBondContact O-N 2.61Å; S575-D578 PolarHBondContact OG-N 2.97Å; S575-D578 VanDerWaalsContact OG-N 3.14Å; S575-D578 PolarHBondContact OG-OD2 3.17Å; K576-D578 VanDerWaalsContact C-N 3.35Å; K576-D578 PolarHBondContact O-N 2.84Å; D578-R581 PolarHBondContact O-N 3.29Å; D578-R581 IonicContact OD1-NH1 3.64Å; D578-R581 PolarHBondContact OD1-NH1 3.32Å; D578-S582 VanDerWaalsContact O-CB 3.28Å; D578-S582 WeakPolarHBondContact O-CB 3.41Å; D578-S582 PolarHBondContact O-N 2.94Å; D578-S582 PolarHBondContact O-OG 2.85Å
579	I	94	Very high	83	Confident	28 Å²	28	53.5 Å²	53.5	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-48.6	170.8	-67.1	166.3	0	0	0	110.4	K97 F571 L574 S575 K576 R581 S582 Y583	K97-I579 HydrophobicContact CG-CG2 4.42Å; F571-I579 HydrophobicContact CB-CD1 4.4Å; F571-I579 HydrophobicContact CB-CG1 3.88Å; F571-I579 HydrophobicContact CG-CG1 4.29Å; L574-I579 HydrophobicContact CB-CD1 4.49Å; L574-I579 HydrophobicContact CB-CG1 3.93Å; S575-I579 WeakPolarHBondContact O-CG1 3.27Å; S575-I579 PolarHBondContact O-N 2.83Å; K576-I579 PolarHBondContact O-N 3.17Å; I579-R581 PolarHBondContact O-N 2.75Å; I579-S582 WeakPolarHBondContact O-CB 3.19Å; I579-S582 PolarHBondContact O-N 3.49Å; I579-Y583 HydrophobicContact CG2-CD2 3.8Å; I579-Y583 HydrophobicContact CG2-CE2 3.47Å; I579-Y583 VanDerWaalsContact CG2-CE2 3.47Å; I579-Y583 WeakPolarHBondContact O-CD2 3.38Å; I579-Y583 PolarHBondContact O-N 3.47Å
580	I	95.4	Very high	83.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-46	178.9	-68.1	162.8	0	0	0	110.5	K97 L111 L114 L115 K576 A577 S582 Y583 A584	K97-I580 HydrophobicContact CB-CD1 4.38Å; K97-I580 HydrophobicContact CB-CG1 3.73Å; L111-I580 HydrophobicContact CD1-CD1 3.83Å; L111-I580 HydrophobicContact CD1-CG2 4.48Å; L111-I580 HydrophobicContact CD2-CG2 4.29Å; L114-I580 HydrophobicContact CD2-CG2 3.88Å; L115-I580 HydrophobicContact CD2-CG2 4.14Å; K576-I580 WeakPolarHBondContact O-CD1 3.49Å; K576-I580 WeakPolarHBondContact O-CG1 3.48Å; K576-I580 PolarHBondContact O-N 2.89Å; A577-I580 PolarHBondContact O-N 3.25Å; I580-S582 VanDerWaalsContact C-N 3.33Å; I580-S582 PolarHBondContact O-N 3.27Å; I580-Y583 PolarHBondContact O-N 3.28Å; I580-A584 PolarHBondContact O-N 3.05Å; I580-A584 VanDerWaalsContact O-N 3.1Å
581	R	95.9	Very high	82.4	Confident	88 Å²	88	58 Å²	58	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-43	175.8	-72.6	175.5	-165	122.7	3.1	111.4	N109 L111 L114 A577 D578 I579 A584 L585	N109-R581 PolarHBondContact O-NH2 2.92Å; L111-R581 HydrophobicContact CD2-CG 3.98Å; L114-R581 HydrophobicContact CD2-CG 4.29Å; A577-R581 WeakPolarHBondContact O-CB 3.45Å; A577-R581 VanDerWaalsContact O-CG 3.27Å; A577-R581 WeakPolarHBondContact O-CG 3.46Å; A577-R581 PolarHBondContact O-N 3.13Å; D578-R581 PolarHBondContact O-N 3.29Å; D578-R581 IonicContact OD1-NH1 3.64Å; D578-R581 PolarHBondContact OD1-NH1 3.32Å; I579-R581 PolarHBondContact O-N 2.75Å; R581-A584 PolarHBondContact O-N 3.17Å; R581-L585 WeakPolarHBondContact O-CB 3.1Å; R581-L585 VanDerWaalsContact O-CG 3.26Å; R581-L585 WeakPolarHBondContact O-CG 3.49Å; R581-L585 PolarHBondContact O-N 3.45Å
582	S	94.1	Very high	81.2	Confident	18 Å²	18	64 Å²	64	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-50.6	179.2	-61.2	0	0	0	0	111.3	D578 I579 I580 A584 L585 Y586	D578-S582 VanDerWaalsContact O-CB 3.28Å; D578-S582 WeakPolarHBondContact O-CB 3.41Å; D578-S582 PolarHBondContact O-N 2.94Å; D578-S582 PolarHBondContact O-OG 2.85Å; I579-S582 WeakPolarHBondContact O-CB 3.19Å; I579-S582 PolarHBondContact O-N 3.49Å; I580-S582 VanDerWaalsContact C-N 3.33Å; I580-S582 PolarHBondContact O-N 3.27Å; S582-A584 VanDerWaalsContact C-N 3.3Å; S582-A584 PolarHBondContact O-N 2.85Å; S582-L585 WeakPolarHBondContact O-CB 3.37Å; S582-L585 PolarHBondContact O-N 3.22Å; S582-L585 VanDerWaalsContact O-N 3.11Å; S582-Y586 WeakPolarHBondContact O-CD2 3.27Å; S582-Y586 PolarHBondContact O-N 3.14Å
583	Y	95.1	Very high	80.1	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-56.4	-45.8	176.1	-76.2	-50.1	0	0	0	111.9	E78 V81 Y90 L93 K97 F571 I579 I580 L585 Y586 T587	E78-Y583 WeakPolarHBondContact CG-OH 3.43Å; E78-Y583 PolarHBondContact OE1-OH 3.03Å; V81-Y583 HydrophobicContact CG2-CE1 4.32Å; Y90-Y583 AromaticContact CD1-CD1 3.71Å; Y90-Y583 HydrophobicContact CD1-CD1 3.71Å; Y90-Y583 HydrophobicContact CD1-CE1 4.13Å; Y90-Y583 HydrophobicContact CE1-CD1 4.34Å; Y90-Y583 HydrophobicContact CE1-CE1 4.43Å; L93-Y583 HydrophobicContact CB-CD1 4.11Å; L93-Y583 HydrophobicContact CB-CD2 3.96Å; L93-Y583 HydrophobicContact CB-CE1 4.1Å; L93-Y583 HydrophobicContact CB-CE2 3.95Å; L93-Y583 HydrophobicContact CB-CG 4.05Å; L93-Y583 HydrophobicContact CD1-CD1 4.32Å; L93-Y583 HydrophobicContact CD1-CE1 3.69Å; K97-Y583 HydrophobicContact CG-CD2 4.44Å; K97-Y583 HydrophobicContact CG-CE2 4.17Å; F571-Y583 HydrophobicContact CE2-CD1 4.28Å; F571-Y583 AromaticContact CE2-CE1 3.58Å; F571-Y583 HydrophobicContact CE2-CE1 3.58Å; F571-Y583 HydrophobicContact CE2-CE2 4.22Å; F571-Y583 AromaticContact CE2-CZ 3.53Å; F571-Y583 HydrophobicContact CZ-CD1 4.35Å; F571-Y583 HydrophobicContact CZ-CE1 4.07Å; I579-Y583 HydrophobicContact CG2-CD2 3.8Å; I579-Y583 HydrophobicContact CG2-CE2 3.47Å; I579-Y583 VanDerWaalsContact CG2-CE2 3.47Å; I579-Y583 WeakPolarHBondContact O-CD2 3.38Å; I579-Y583 PolarHBondContact O-N 3.47Å; I580-Y583 PolarHBondContact O-N 3.28Å; Y583-L585 VanDerWaalsContact C-N 3.34Å; Y583-L585 PolarHBondContact O-N 2.84Å; Y583-Y586 PolarHBondContact O-N 3.48Å; Y583-T587 WeakPolarHBondContact O-CG2 3.49Å; Y583-T587 PolarHBondContact O-N 3Å
584	A	93.7	Very high	78	Confident	6 Å²	6	66.5 Å²	66.5	5%	0.05	34%	0.34	C	S	.	.	H	α-helix	trans	-66.5	-33.4	177.9	0	0	0	0	0	114	L114 I580 R581 S582 T587	L114-A584 HydrophobicContact CD1-CB 3.19Å; L114-A584 HydrophobicContact CD2-CB 3.51Å; L114-A584 HydrophobicContact CG-CB 3.43Å; L114-A584 VanDerWaalsContact CG-CB 3.43Å; I580-A584 PolarHBondContact O-N 3.05Å; I580-A584 VanDerWaalsContact O-N 3.1Å; R581-A584 PolarHBondContact O-N 3.17Å; S582-A584 VanDerWaalsContact C-N 3.3Å; S582-A584 PolarHBondContact O-N 2.85Å; A584-T587 PolarHBondContact O-N 3.21Å; A584-T587 PolarHBondContact O-OG1 3.37Å
585	L	93	Very high	75.9	Confident	96 Å²	96	72.9 Å²	72.9	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-44.2	172.9	-74.5	169.1	0	0	0	110.9	R581 S582 Y583 T587 S588 A589	R581-L585 WeakPolarHBondContact O-CB 3.1Å; R581-L585 VanDerWaalsContact O-CG 3.26Å; R581-L585 WeakPolarHBondContact O-CG 3.49Å; R581-L585 PolarHBondContact O-N 3.45Å; S582-L585 WeakPolarHBondContact O-CB 3.37Å; S582-L585 PolarHBondContact O-N 3.22Å; S582-L585 VanDerWaalsContact O-N 3.11Å; Y583-L585 VanDerWaalsContact C-N 3.34Å; Y583-L585 PolarHBondContact O-N 2.84Å; L585-T587 PolarHBondContact O-N 2.62Å; L585-S588 WeakPolarHBondContact O-CA 3.35Å; L585-S588 WeakPolarHBondContact O-CB 3.47Å; L585-S588 PolarHBondContact O-N 3.2Å; L585-A589 PolarHBondContact O-N 3.43Å
586	Y	90.7	Very high	73.2	Confident	83 Å²	83	74 Å²	74	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-57.7	-35	175.7	-71.5	-62	0	0	0	112.3	F571 S582 Y583 S588 A589 S590	F571-Y586 AromaticContact CE1-CE2 3.93Å; F571-Y586 HydrophobicContact CE1-CE2 3.93Å; F571-Y586 HydrophobicContact CZ-CD2 4.34Å; F571-Y586 AromaticContact CZ-CE2 3.67Å; F571-Y586 HydrophobicContact CZ-CE2 3.67Å; S582-Y586 WeakPolarHBondContact O-CD2 3.27Å; S582-Y586 PolarHBondContact O-N 3.14Å; Y583-Y586 PolarHBondContact O-N 3.48Å; Y586-S588 PolarHBondContact O-N 2.79Å; Y586-S588 VanDerWaalsContact O-N 3.16Å; Y586-A589 PolarHBondContact O-N 2.81Å; Y586-S590 PolarHBondContact O-N 3.32Å; Y586-S590 PolarHBondContact O-OG 3Å
587	T	87	Confident	70.8	Confident	11 Å²	11	74.4 Å²	74.4	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-23.1	175.3	76.2	0	0	0	0	114.3	K87 R91 Y583 A584 L585	K87-T587 WeakPolarHBondContact CE-O 3.47Å; K87-T587 PolarHBondContact NZ-O 3.2Å; R91-T587 HydrophobicContact CB-CG2 4.25Å; R91-T587 HydrophobicContact CG-CG2 3.41Å; R91-T587 VanDerWaalsContact CG-CG2 3.41Å; Y583-T587 WeakPolarHBondContact O-CG2 3.49Å; Y583-T587 PolarHBondContact O-N 3Å; A584-T587 PolarHBondContact O-N 3.21Å; A584-T587 PolarHBondContact O-OG1 3.37Å; L585-T587 PolarHBondContact O-N 2.62Å
588	S	80.1	Confident	68	Low	75 Å²	75	79.8 Å²	79.8	52%	0.524	41%	0.409	S	S	.	.	H	α-helix	trans	-93.2	-30.6	179.5	-52.8	0	0	0	0	111.8	L585 Y586	L585-S588 WeakPolarHBondContact O-CA 3.35Å; L585-S588 WeakPolarHBondContact O-CB 3.47Å; L585-S588 PolarHBondContact O-N 3.2Å; Y586-S588 PolarHBondContact O-N 2.79Å; Y586-S588 VanDerWaalsContact O-N 3.16Å
589	A	67.5	Low	65.3	Low	53 Å²	53	82.2 Å²	82.2	44%	0.438	43%	0.426	S	S	.	.	H	α-helix	trans	-82.8	-22.9	-174.7	0	0	0	0	0	114.9	L585 Y586 Q591 M592	L585-A589 PolarHBondContact O-N 3.43Å; Y586-A589 PolarHBondContact O-N 2.81Å; A589-Q591 PolarHBondContact O-N 2.73Å; A589-M592 PolarHBondContact O-N 2.75Å
590	S	51.2	Low	62.3	Low	50 Å²	50	88.4 Å²	88.4	35%	0.35	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	16.2	-175.3	-52.3	0	0	0	0	116.4	Y586	Y586-S590 PolarHBondContact O-N 3.32Å; Y586-S590 PolarHBondContact O-OG 3Å
591	Q	42.3	Very low	59.7	Low	177 Å²	177	95.5 Å²	95.5	83%	0.827	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.2	160	-81.2	-177	-24.7	0	0	113.3	A589	A589-Q591 PolarHBondContact O-N 2.73Å
592	M	35.8	Very low	56.9	Low	150 Å²	150	96.5 Å²	96.5	74%	0.739	49%	0.487	S	S	*	.			trans	-102.3	80.7	177.6	-69	-171.5	134.4	0	0	111.3	A589 D594	A589-M592 PolarHBondContact O-N 2.75Å; M592-D594 VanDerWaalsContact C-N 3.35Å; M592-D594 PolarHBondContact O-N 2.93Å; M592-D594 VanDerWaalsContact O-N 3.08Å
593	Y	36.3	Very low	54	Low	223 Å²	223	101 Å²	101	88%	0.875	51%	0.506	S	S	*	.			trans	-72	91.1	163.2	-87.5	-91.7	0	0	0	109
594	D	31.1	Very low	51.3	Low	123 Å²	123	103.5 Å²	103.5	66%	0.658	52%	0.524	S	S	*	.			trans	-160.9	130.8	143.6	-121.2	-23.5	0	0	0	110.3	M592 S596 C597	M592-D594 VanDerWaalsContact C-N 3.35Å; M592-D594 PolarHBondContact O-N 2.93Å; M592-D594 VanDerWaalsContact O-N 3.08Å; D594-S596 PolarHBondContact O-N 3.02Å; D594-C597 PolarHBondContact O-N 3.1Å
595	K	40.4	Very low	48.8	Very low	193 Å²	193	107.4 Å²	107.4	84%	0.839	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	0.1	-174.8	-71.2	-174.7	176.6	-178.2	0	114.4	C597	K595-C597 VanDerWaalsContact C-N 3.34Å
596	S	34.7	Very low	46.1	Very low	72 Å²	72	109.8 Å²	109.8	50%	0.503	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-17.7	174.6	48.9	0	0	0	0	114	D594	D594-S596 PolarHBondContact O-N 3.02Å
597	C	38.9	Very low	43.3	Very low	53 Å²	53	112.2 Å²	112.2	36%	0.358	57%	0.566	S	S	.	*	H	α-helix	trans	-81.2	-16.2	-175.3	-67.5	0	0	0	0	114.5	D594 K595 V599 F600 Y601	D594-C597 PolarHBondContact O-N 3.1Å; K595-C597 VanDerWaalsContact C-N 3.34Å; C597-V599 PolarHBondContact O-N 3.21Å; C597-F600 PolarHBondContact O-N 3.49Å; C597-Y601 PolarHBondContact O-N 3.13Å; C597-Y601 VanDerWaalsContact O-N 3.15Å
598	D	36	Very low	41	Very low	112 Å²	112	117.1 Å²	117.1	60%	0.599	60%	0.598	S	S	*	*	H	α-helix	trans	-61.2	-30.7	176.5	-72.6	-24.6	0	0	0	111.7	F602	D598-F602 VanDerWaalsContact O-CD2 3.27Å; D598-F602 WeakPolarHBondContact O-CD2 3.41Å
599	V	37.2	Very low	38.9	Very low	111 Å²	111	118.7 Å²	118.7	67%	0.673	61%	0.605	S	S	*	*	H	α-helix	trans	-82	-38	-178.2	-177.6	0	0	0	0	112.3	C597	C597-V599 PolarHBondContact O-N 3.21Å
600	F	31.9	Very low	37.3	Very low	158 Å²	158	125.5 Å²	125.5	69%	0.693	62%	0.621	S	S	*	*	H	α-helix	trans	-79	-31.4	-176.9	-79.3	-78	0	0	0	113	C597 Q603	C597-F600 PolarHBondContact O-N 3.49Å; F600-Q603 PolarHBondContact O-N 3.14Å
601	Y	41.3	Very low	36.2	Very low	149 Å²	149	131 Å²	131	58%	0.584	64%	0.639	S	S	*	*	H	α-helix	trans	-80.8	-29.4	-174.3	-136.6	-91.3	0	0	0	113.4	C597 Q603 S604	C597-Y601 PolarHBondContact O-N 3.13Å; C597-Y601 VanDerWaalsContact O-N 3.15Å; Y601-Q603 PolarHBondContact O-N 3.05Å; Y601-S604 PolarHBondContact O-N 3.28Å; Y601-S604 PolarHBondContact O-OG 3.47Å
602	F	36.4	Very low	35.6	Very low	108 Å²	108	128.8 Å²	128.8	47%	0.474	64%	0.638	S	S	.	*	H	α-helix	trans	-55.3	-31.6	171.2	-100	-93.2	0	0	0	111.7	V570 D598 S604 F606	V570-F602 HydrophobicContact CG1-CZ 4.2Å; D598-F602 VanDerWaalsContact O-CD2 3.27Å; D598-F602 WeakPolarHBondContact O-CD2 3.41Å; F602-S604 PolarHBondContact O-N 3.26Å; F602-F606 HydrophobicContact CD1-CE2 4.09Å; F602-F606 WeakPolarHBondContact O-CD2 3.34Å
603	Q	34.2	Very low	35.4	Very low	113 Å²	113	126.4 Å²	126.4	53%	0.528	63%	0.631	S	S	.	*	H	α-helix	trans	-70.8	-29.5	177.7	-71.4	-172.1	-41	0	0	114.1	F600 Y601 F607	F600-Q603 PolarHBondContact O-N 3.14Å; Y601-Q603 PolarHBondContact O-N 3.05Å; Q603-F607 PolarHBondContact O-N 3.26Å; Q603-F607 VanDerWaalsContact O-N 3.14Å
604	S	36.9	Very low	35.1	Very low	58 Å²	58	121.2 Å²	121.2	41%	0.406	62%	0.623	S	S	.	*	H	α-helix	trans	-74.6	-27.4	-178.9	69.5	0	0	0	0	114.1	Y601 F602	Y601-S604 PolarHBondContact O-N 3.28Å; Y601-S604 PolarHBondContact O-OG 3.47Å; F602-S604 PolarHBondContact O-N 3.26Å
605	V	42.4	Very low	35.1	Very low	88 Å²	88	127.1 Å²	127.1	53%	0.533	64%	0.636	S	S	.	*	H	α-helix	trans	-79.1	-33.9	178.8	-179.2	0	0	0	0	110.8
606	F	36	Very low	34.4	Very low	146 Å²	146	122.6 Å²	122.6	64%	0.64	63%	0.629	S	S	*	*	H	α-helix	trans	-84.4	-19.4	178.7	-76.9	-77.2	0	0	0	114.2	F602	F602-F606 HydrophobicContact CD1-CE2 4.09Å; F602-F606 WeakPolarHBondContact O-CD2 3.34Å
607	F	31.7	Very low	34.1	Very low	133 Å²	133	124.1 Å²	124.1	58%	0.583	64%	0.639	S	S	*	*			trans	-131.8	77.4	178.7	-67.4	-82.5	0	0	0	112.3	Q603 T609	Q603-F607 PolarHBondContact O-N 3.26Å; Q603-F607 VanDerWaalsContact O-N 3.14Å; F607-T609 PolarHBondContact O-N 2.96Å; F607-T609 VanDerWaalsContact O-N 3.13Å
608	P	37.8	Very low	34	Very low	114 Å²	114	135 Å²	135	74%	0.74	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-6.2	177.2	26	-31.8	0	0	0	114
609	T	37.2	Very low	33.9	Very low	109 Å²	109	136.1 Å²	136.1	67%	0.669	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	1.4	-170.9	41.4	0	0	0	0	117.5	F607	F607-T609 PolarHBondContact O-N 2.96Å; F607-T609 VanDerWaalsContact O-N 3.13Å
610	Y	32.9	Very low	33.7	Very low	195 Å²	195	137.4 Å²	137.4	77%	0.765	69%	0.686	S	S	*	*	S	Bend	trans	-132.9	8	-176.4	-81.5	-75.4	0	0	0	118.9
611	F	28.5	Very low	33.8	Very low	165 Å²	165	136.3 Å²	136.3	72%	0.724	69%	0.685	S	S	*	*			trans	-119.7	74.1	173.7	-82.6	-82.8	0	0	0	112.8	V613	F611-V613 VanDerWaalsContact C-N 3.3Å; F611-V613 HydrophobicContact CB-CG2 4.46Å; F611-V613 HydrophobicContact CD1-CG2 3.96Å; F611-V613 PolarHBondContact O-N 3.2Å
612	T	30.5	Very low	33.3	Very low	132 Å²	132	135.5 Å²	135.5	81%	0.81	69%	0.691	S	S	*	*			trans	-74.4	89.5	147.3	48.5	0	0	0	0	107.6	T614	T612-T614 VanDerWaalsContact C-N 3.3Å; T612-T614 PolarHBondContact O-N 2.79Å
613	V	31.4	Very low	33.1	Very low	100 Å²	100	137.3 Å²	137.3	61%	0.606	71%	0.705	S	S	*	*			trans	-74.5	94.1	165.8	-178.7	0	0	0	0	106.8	F611 W615	F611-V613 VanDerWaalsContact C-N 3.3Å; F611-V613 HydrophobicContact CB-CG2 4.46Å; F611-V613 HydrophobicContact CD1-CG2 3.96Å; F611-V613 PolarHBondContact O-N 3.2Å; V613-W615 PolarHBondContact O-N 2.74Å; V613-W615 VanDerWaalsContact O-N 3.1Å
614	T	29.9	Very low	33.1	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	72%	0.716	S	S	*	*			trans	-64.3	106.5	165.2	46	0	0	0	0	107.8	T612 S616	T612-T614 VanDerWaalsContact C-N 3.3Å; T612-T614 PolarHBondContact O-N 2.79Å; T614-S616 VanDerWaalsContact C-N 3.29Å; T614-S616 PolarHBondContact O-N 3.44Å
615	W	30.1	Very low	32.8	Very low	248 Å²	248	144.6 Å²	144.6	94%	0.939	74%	0.739	S	S	*	*			trans	-65	91.1	165.8	-89.6	51.6	0	0	0	108.7	V613	V613-W615 PolarHBondContact O-N 2.74Å; V613-W615 VanDerWaalsContact O-N 3.1Å
616	S	27	Very low	32.1	Very low	97 Å²	97	149 Å²	149	68%	0.678	75%	0.754	S	S	*	*			trans	-117.6	104.5	163.1	61.7	0	0	0	0	108.7	T614	T614-S616 VanDerWaalsContact C-N 3.29Å; T614-S616 PolarHBondContact O-N 3.44Å
617	S	29	Very low	31.7	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	76%	0.764	S	S	*	*			trans	50.5	100.6	156.7	178.1	0	0	0	0	117.4
618	F	34.9	Very low	31.7	Very low	281 Å²	281	150.7 Å²	150.7	100%	1.232	78%	0.78	S	S	*	*				-166.9	0	118.6	-110.4	-76.3	0	0	0	110.7

Retrieved 618 of 618 residues in 776.4 ms (Link to these results)

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