A0A3Q0KBP6_SCHMA Loading...

Putative amidase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 614 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	38.4	Very low	53.9	Low	246 Å²	246	105.8 Å²	105.8	100%	1.212	61%	0.612	S	S	*	*				0	100.1	0	-79.3	175	171.5	0	0	106.9
2	V	42.6	Very low	55.5	Low	103 Å²	103	103.2 Å²	103.2	62%	0.624	60%	0.598	S	S	*	*			trans	-71.8	130	174.7	175.1	0	0	0	0	107	E6	V2-E6 HydrophobicContact CG1-CB 3.89Å; V2-E6 WeakPolarHBondContact CG1-OE2 3.49Å
3	S	44.7	Very low	57.2	Low	55 Å²	55	103.2 Å²	103.2	39%	0.385	59%	0.594	S	S	.	*			trans	-61.2	142.4	-176.1	167.8	0	0	0	0	110.7	V5 E6	S3-V5 PolarHBondContact O-N 2.86Å; S3-V5 PolarHBondContact OG-N 2.99Å; S3-E6 PolarHBondContact O-N 3.35Å
4	P	50.7	Low	58.2	Low	112 Å²	112	100.9 Å²	100.9	73%	0.727	59%	0.588	S	S	*	*	H	α-helix	trans	-52.1	-24.3	174.5	-24.1	31.9	0	0	0	114	S8	P4-S8 PolarHBondContact O-N 2.9Å
5	V	53.4	Low	59.2	Low	95 Å²	95	100.4 Å²	100.4	58%	0.576	59%	0.586	S	S	*	*	H	α-helix	trans	-69.8	-34.7	178.7	-176.6	0	0	0	0	112.3	S3 N9	S3-V5 PolarHBondContact O-N 2.86Å; S3-V5 PolarHBondContact OG-N 2.99Å; V5-N9 PolarHBondContact O-N 3.43Å
6	E	53.2	Low	60.2	Low	127 Å²	127	100 Å²	100	59%	0.593	58%	0.58	S	S	*	*	H	α-helix	trans	-76.2	-34.8	-178.9	-75.2	-179.6	149.5	0	0	112.3	V2 S3 N9	V2-E6 HydrophobicContact CG1-CB 3.89Å; V2-E6 WeakPolarHBondContact CG1-OE2 3.49Å; S3-E6 PolarHBondContact O-N 3.35Å; E6-N9 PolarHBondContact O-N 2.98Å
7	M	52.7	Low	61.2	Low	140 Å²	140	102.3 Å²	102.3	69%	0.69	58%	0.582	S	S	*	*	H	α-helix	trans	-66.2	-37.3	173.3	-86.5	-176.4	62.2	0	0	112.3	N9 S10	M7-N9 PolarHBondContact O-N 3.23Å; M7-S10 PolarHBondContact O-N 3.35Å; M7-S10 PolarHBondContact O-OG 3.47Å
8	S	54.6	Low	61.9	Low	67 Å²	67	101.8 Å²	101.8	47%	0.469	58%	0.581	S	S	.	*	H	α-helix	trans	-59.4	-44.2	176.8	171.2	0	0	0	0	112.3	P4 S10 A11 V12	P4-S8 PolarHBondContact O-N 2.9Å; S8-S10 PolarHBondContact O-N 3Å; S8-A11 PolarHBondContact O-N 3.1Å; S8-V12 WeakPolarHBondContact O-CG2 3.41Å; S8-V12 PolarHBondContact O-N 3Å
9	N	64.1	Low	62.4	Low	91 Å²	91	105.5 Å²	105.5	49%	0.487	59%	0.585	S	S	.	*	H	α-helix	trans	-66.8	-37.5	-176.9	-73.4	-14.6	0	0	0	112.7	V5 E6 M7 A11 V12 D13	V5-N9 PolarHBondContact O-N 3.43Å; E6-N9 PolarHBondContact O-N 2.98Å; M7-N9 PolarHBondContact O-N 3.23Å; N9-A11 VanDerWaalsContact C-N 3.33Å; N9-A11 PolarHBondContact O-N 3.43Å; N9-V12 PolarHBondContact O-N 3.19Å; N9-D13 PolarHBondContact O-N 3.04Å
10	S	71.1	Confident	63	Low	72 Å²	72	107.8 Å²	107.8	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-65.8	-34.8	179.9	82.6	0	0	0	0	113.2	M7 S8 S14	M7-S10 PolarHBondContact O-N 3.35Å; M7-S10 PolarHBondContact O-OG 3.47Å; S8-S10 PolarHBondContact O-N 3Å; S10-S14 WeakPolarHBondContact O-CB 3.49Å; S10-S14 PolarHBondContact O-N 2.85Å; S10-S14 VanDerWaalsContact O-N 3.08Å; S10-S14 PolarHBondContact O-OG 3.02Å
11	A	67.5	Low	63.4	Low	56 Å²	56	108.6 Å²	108.6	46%	0.463	59%	0.588	S	S	.	*	H	α-helix	trans	-70.4	-41.3	177.6	0	0	0	0	0	111.1	S8 N9 S14 V15	S8-A11 PolarHBondContact O-N 3.1Å; N9-A11 VanDerWaalsContact C-N 3.33Å; N9-A11 PolarHBondContact O-N 3.43Å; A11-S14 WeakPolarHBondContact O-CB 3.49Å; A11-S14 PolarHBondContact O-N 3.13Å; A11-V15 WeakPolarHBondContact O-CG2 3.25Å; A11-V15 PolarHBondContact O-N 3.45Å
12	V	73.5	Confident	64.7	Low	74 Å²	74	104.4 Å²	104.4	45%	0.448	56%	0.56	S	S	.	*	H	α-helix	trans	-63.7	-43.5	176.3	175.5	0	0	0	0	111.1	S8 N9 S14 V15 L16	S8-V12 WeakPolarHBondContact O-CG2 3.41Å; S8-V12 PolarHBondContact O-N 3Å; N9-V12 PolarHBondContact O-N 3.19Å; V12-S14 VanDerWaalsContact C-N 3.32Å; V12-S14 PolarHBondContact O-N 2.86Å; V12-V15 PolarHBondContact O-N 3.35Å; V12-L16 HydrophobicContact CG1-CD1 3.91Å; V12-L16 HydrophobicContact CG1-CG 4.49Å; V12-L16 WeakPolarHBondContact O-CB 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.14Å
13	D	77	Confident	65.9	Low	103 Å²	103	105.2 Å²	105.2	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-37.5	177.3	-77.1	-23.1	0	0	0	112.4	N9 L16 K17	N9-D13 PolarHBondContact O-N 3.04Å; D13-L16 PolarHBondContact O-N 3.34Å; D13-K17 WeakPolarHBondContact O-CB 3.5Å; D13-K17 PolarHBondContact O-N 2.98Å
14	S	71.8	Confident	66.9	Low	72 Å²	72	105.9 Å²	105.9	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-63.2	-46.2	175.5	-57.1	0	0	0	0	111.3	S10 A11 V12 K17 V18	S10-S14 WeakPolarHBondContact O-CB 3.49Å; S10-S14 PolarHBondContact O-N 2.85Å; S10-S14 VanDerWaalsContact O-N 3.08Å; S10-S14 PolarHBondContact O-OG 3.02Å; A11-S14 WeakPolarHBondContact O-CB 3.49Å; A11-S14 PolarHBondContact O-N 3.13Å; V12-S14 VanDerWaalsContact C-N 3.32Å; V12-S14 PolarHBondContact O-N 2.86Å; S14-K17 PolarHBondContact O-N 3.49Å; S14-V18 WeakPolarHBondContact O-CG2 3.31Å; S14-V18 PolarHBondContact O-N 3.41Å; S14-V18 VanDerWaalsContact O-N 3.13Å
15	V	72.3	Confident	67.1	Low	93 Å²	93	106 Å²	106	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-63.8	-42.7	176.8	173.3	0	0	0	0	111.1	A11 V12 K17 V18 W19	A11-V15 WeakPolarHBondContact O-CG2 3.25Å; A11-V15 PolarHBondContact O-N 3.45Å; V12-V15 PolarHBondContact O-N 3.35Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 2.93Å; V15-V18 PolarHBondContact O-N 2.99Å; V15-W19 WeakPolarHBondContact O-CB 3.44Å; V15-W19 PolarHBondContact O-N 3.21Å
16	L	75.5	Confident	67.2	Low	94 Å²	94	105.7 Å²	105.7	49%	0.492	55%	0.545	S	S	.	.	H	α-helix	trans	-63.6	-36.4	177.4	-80.5	166.6	0	0	0	112.6	V12 D13 W19 K20	V12-L16 HydrophobicContact CG1-CD1 3.91Å; V12-L16 HydrophobicContact CG1-CG 4.49Å; V12-L16 WeakPolarHBondContact O-CB 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 3.34Å; L16-W19 PolarHBondContact O-N 3.13Å; L16-K20 WeakPolarHBondContact O-CG 3.32Å; L16-K20 PolarHBondContact O-N 3.24Å
17	K	77.9	Confident	67.7	Low	139 Å²	139	104.1 Å²	104.1	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-68	-45.5	177.3	-165.9	178	179.9	-176.7	0	111.5	D13 S14 V15 W19 K20 E21	D13-K17 WeakPolarHBondContact O-CB 3.5Å; D13-K17 PolarHBondContact O-N 2.98Å; S14-K17 PolarHBondContact O-N 3.49Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 2.93Å; K17-W19 VanDerWaalsContact C-N 3.28Å; K17-W19 PolarHBondContact O-N 3.43Å; K17-K20 PolarHBondContact O-N 3.42Å; K17-E21 PolarHBondContact O-N 3.33Å
18	V	74.1	Confident	68.4	Low	93 Å²	93	106 Å²	106	56%	0.564	54%	0.544	S	S	*	.	H	α-helix	trans	-59.4	-42.3	172.9	175.4	0	0	0	0	110.4	S14 V15 E21 Y22	S14-V18 WeakPolarHBondContact O-CG2 3.31Å; S14-V18 PolarHBondContact O-N 3.41Å; S14-V18 VanDerWaalsContact O-N 3.13Å; V15-V18 PolarHBondContact O-N 2.99Å; V18-E21 PolarHBondContact O-N 3.44Å; V18-Y22 WeakPolarHBondContact O-CB 3.44Å; V18-Y22 PolarHBondContact O-N 3.31Å
19	W	70.3	Confident	69	Low	172 Å²	172	106.8 Å²	106.8	65%	0.652	54%	0.54	S	S	*	.	H	α-helix	trans	-63.1	-41.4	176.4	-113.2	85.8	0	0	0	113.1	V15 L16 K17 Y22 F23	V15-W19 WeakPolarHBondContact O-CB 3.44Å; V15-W19 PolarHBondContact O-N 3.21Å; L16-W19 PolarHBondContact O-N 3.13Å; K17-W19 VanDerWaalsContact C-N 3.28Å; K17-W19 PolarHBondContact O-N 3.43Å; W19-Y22 PolarHBondContact O-N 3.13Å; W19-F23 VanDerWaalsContact O-CB 3.32Å; W19-F23 WeakPolarHBondContact O-CB 3.22Å; W19-F23 PolarHBondContact O-N 3.27Å
20	K	74.9	Confident	69.5	Low	152 Å²	152	106 Å²	106	66%	0.661	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-43.1	175.4	-82	-179.9	178	176.4	0	111.8	L16 K17 Y22 F23 V24	L16-K20 WeakPolarHBondContact O-CG 3.32Å; L16-K20 PolarHBondContact O-N 3.24Å; K17-K20 PolarHBondContact O-N 3.42Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-F23 PolarHBondContact O-N 3.06Å; K20-V24 VanDerWaalsContact O-CG2 3.29Å; K20-V24 WeakPolarHBondContact O-CG2 3.33Å; K20-V24 PolarHBondContact O-N 3.46Å
21	E	72.2	Confident	69.9	Low	125 Å²	125	107.3 Å²	107.3	58%	0.584	54%	0.544	S	S	*	.	H	α-helix	trans	-64	-40.9	176.5	-72.3	178	-173	0	0	111.4	K17 V18 V24 L25	K17-E21 PolarHBondContact O-N 3.33Å; V18-E21 PolarHBondContact O-N 3.44Å; E21-V24 PolarHBondContact O-N 2.94Å; E21-L25 PolarHBondContact O-N 3.25Å
22	Y	65	Low	70.4	Confident	158 Å²	158	112.3 Å²	112.3	62%	0.62	55%	0.551	S	S	*	*	H	α-helix	trans	-64.5	-40.6	174.7	-138.8	-92.7	0	0	0	112.3	V18 W19 K20 L25 L26	V18-Y22 WeakPolarHBondContact O-CB 3.44Å; V18-Y22 PolarHBondContact O-N 3.31Å; W19-Y22 PolarHBondContact O-N 3.13Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; Y22-L25 WeakPolarHBondContact O-CB 3.42Å; Y22-L25 PolarHBondContact O-N 2.97Å; Y22-L26 HydrophobicContact CD1-CD1 3.99Å; Y22-L26 WeakPolarHBondContact O-CG 3.48Å; Y22-L26 PolarHBondContact O-N 2.94Å
23	F	68.1	Low	70.6	Confident	119 Å²	119	113.8 Å²	113.8	52%	0.522	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-39.8	177.3	-161.3	-93.2	0	0	0	111.9	W19 K20 L25 L26 V27	W19-F23 VanDerWaalsContact O-CB 3.32Å; W19-F23 WeakPolarHBondContact O-CB 3.22Å; W19-F23 PolarHBondContact O-N 3.27Å; K20-F23 PolarHBondContact O-N 3.06Å; F23-L25 VanDerWaalsContact C-N 3.3Å; F23-L25 PolarHBondContact O-N 2.93Å; F23-L26 WeakPolarHBondContact O-CB 3.39Å; F23-L26 PolarHBondContact O-N 3.38Å; F23-V27 HydrophobicContact CD1-CG2 3.88Å; F23-V27 HydrophobicContact CE1-CG2 3.7Å; F23-V27 HydrophobicContact CZ-CG2 4.4Å; F23-V27 VanDerWaalsContact O-CG2 3.31Å; F23-V27 WeakPolarHBondContact O-CG2 3.5Å; F23-V27 PolarHBondContact O-N 3.35Å
24	V	65.1	Low	71	Confident	69 Å²	69	114 Å²	114	42%	0.418	55%	0.553	S	S	.	*	H	α-helix	trans	-64.3	-36.8	174.1	171.5	0	0	0	0	111.1	K20 E21 R28	K20-V24 VanDerWaalsContact O-CG2 3.29Å; K20-V24 WeakPolarHBondContact O-CG2 3.33Å; K20-V24 PolarHBondContact O-N 3.46Å; E21-V24 PolarHBondContact O-N 2.94Å; V24-R28 HydrophobicContact CG1-CG 4.42Å; V24-R28 WeakPolarHBondContact O-CB 3.49Å; V24-R28 VanDerWaalsContact O-CG 3.25Å; V24-R28 WeakPolarHBondContact O-CG 3.31Å; V24-R28 PolarHBondContact O-N 3.01Å; V24-R28 VanDerWaalsContact O-N 3.13Å
25	L	55.3	Low	71.6	Confident	115 Å²	115	115.6 Å²	115.6	60%	0.602	56%	0.555	S	S	*	*	H	α-helix	trans	-64.5	-42.9	173.7	-153.8	89.8	0	0	0	111.8	E21 Y22 F23 R28	E21-L25 PolarHBondContact O-N 3.25Å; Y22-L25 WeakPolarHBondContact O-CB 3.42Å; Y22-L25 PolarHBondContact O-N 2.97Å; F23-L25 VanDerWaalsContact C-N 3.3Å; F23-L25 PolarHBondContact O-N 2.93Å; L25-R28 PolarHBondContact O-N 3.41Å
26	L	55.8	Low	72.3	Confident	89 Å²	89	115 Å²	115	47%	0.466	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-39.4	177	-82.1	159.5	0	0	0	112.8	Y22 F23	Y22-L26 HydrophobicContact CD1-CD1 3.99Å; Y22-L26 WeakPolarHBondContact O-CG 3.48Å; Y22-L26 PolarHBondContact O-N 2.94Å; F23-L26 WeakPolarHBondContact O-CB 3.39Å; F23-L26 PolarHBondContact O-N 3.38Å
27	V	63.7	Low	72.9	Confident	94 Å²	94	113.4 Å²	113.4	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-76.7	-26.3	-180	173.6	0	0	0	0	112.5	F23 H29 P30	F23-V27 HydrophobicContact CD1-CG2 3.88Å; F23-V27 HydrophobicContact CE1-CG2 3.7Å; F23-V27 HydrophobicContact CZ-CG2 4.4Å; F23-V27 VanDerWaalsContact O-CG2 3.31Å; F23-V27 WeakPolarHBondContact O-CG2 3.5Å; F23-V27 PolarHBondContact O-N 3.35Å; V27-H29 VanDerWaalsContact C-N 3.33Å; V27-H29 PolarHBondContact O-N 3.32Å; V27-P30 WeakPolarHBondContact O-CD 3.32Å
28	R	66.3	Low	73.5	Confident	179 Å²	179	110.2 Å²	110.2	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-70.6	-20.5	-171.6	-89.1	178.2	176	-175.4	0.6	115.2	V24 L25	V24-R28 HydrophobicContact CG1-CG 4.42Å; V24-R28 WeakPolarHBondContact O-CB 3.49Å; V24-R28 VanDerWaalsContact O-CG 3.25Å; V24-R28 WeakPolarHBondContact O-CG 3.31Å; V24-R28 PolarHBondContact O-N 3.01Å; V24-R28 VanDerWaalsContact O-N 3.13Å; L25-R28 PolarHBondContact O-N 3.41Å
29	H	68	Low	74.2	Confident	84 Å²	84	108.9 Å²	108.9	39%	0.389	54%	0.541	S	S	.	.			trans	-137.6	54.7	-173.4	-60.8	-58.2	0	0	0	115.2	V27 V31 R32 H33	V27-H29 VanDerWaalsContact C-N 3.33Å; V27-H29 PolarHBondContact O-N 3.32Å; H29-V31 PolarHBondContact O-N 3.42Å; H29-R32 HydrophobicContact CB-CB 4.03Å; H29-R32 HydrophobicContact CB-CG 4.04Å; H29-R32 WeakPolarHBondContact O-CB 3.47Å; H29-R32 PolarHBondContact O-N 2.95Å; H29-H33 PolarHBondContact O-CD2 2.88Å; H29-H33 PolarHBondContact O-N 2.85Å
30	P	73.4	Confident	75.3	Confident	74 Å²	74	105.7 Å²	105.7	48%	0.481	54%	0.536	S	S	.	.	H	α-helix	trans	-58.5	-35.9	180	24.6	-34.1	0	0	0	112.2	V27 R32 H33 I34	V27-P30 WeakPolarHBondContact O-CD 3.32Å; P30-R32 VanDerWaalsContact C-N 3.33Å; P30-R32 PolarHBondContact O-N 3.4Å; P30-H33 PolarHBondContact O-N 3.23Å; P30-I34 WeakPolarHBondContact O-CG1 3.3Å; P30-I34 PolarHBondContact O-N 3.04Å
31	V	79.6	Confident	76	Confident	99 Å²	99	100.4 Å²	100.4	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-61.7	-39.2	176.2	-178.2	0	0	0	0	111.6	H29 I34 L35	H29-V31 PolarHBondContact O-N 3.42Å; V31-I34 PolarHBondContact O-N 3.44Å; V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CB 3.43Å; V31-L35 VanDerWaalsContact O-CG 3.22Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.34Å
32	R	78.5	Confident	76.9	Confident	162 Å²	162	99.4 Å²	99.4	61%	0.611	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-41.3	176.9	-71.7	-175	175.5	171.8	-2.6	111.3	H29 P30 L35 V36	H29-R32 HydrophobicContact CB-CB 4.03Å; H29-R32 HydrophobicContact CB-CG 4.04Å; H29-R32 WeakPolarHBondContact O-CB 3.47Å; H29-R32 PolarHBondContact O-N 2.95Å; P30-R32 VanDerWaalsContact C-N 3.33Å; P30-R32 PolarHBondContact O-N 3.4Å; R32-L35 PolarHBondContact O-N 3.46Å; R32-V36 WeakPolarHBondContact O-CB 3.48Å; R32-V36 VanDerWaalsContact O-CG2 3.23Å; R32-V36 WeakPolarHBondContact O-CG2 3.39Å; R32-V36 PolarHBondContact O-N 3.34Å
33	H	78.7	Confident	78.3	Confident	104 Å²	104	95.7 Å²	95.7	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-65.4	-42.5	177.2	-69.8	-65.3	0	0	0	112.4	H29 P30 V36 A37	H29-H33 PolarHBondContact O-CD2 2.88Å; H29-H33 PolarHBondContact O-N 2.85Å; P30-H33 PolarHBondContact O-N 3.23Å; H33-V36 PolarHBondContact O-N 3.15Å; H33-A37 VanDerWaalsContact O-CB 3.3Å; H33-A37 WeakPolarHBondContact O-CB 3.4Å; H33-A37 PolarHBondContact O-N 3.42Å
34	I	84.3	Confident	79.3	Confident	108 Å²	108	92.9 Å²	92.9	55%	0.554	51%	0.512	S	S	*	.	H	α-helix	trans	-61.2	-47	174.8	-65.9	167.3	0	0	0	110.1	P30 V31 V36 A37 C38	P30-I34 WeakPolarHBondContact O-CG1 3.3Å; P30-I34 PolarHBondContact O-N 3.04Å; V31-I34 PolarHBondContact O-N 3.44Å; I34-V36 PolarHBondContact O-N 2.86Å; I34-A37 PolarHBondContact O-N 3.42Å; I34-C38 WeakPolarHBondContact O-CB 3.3Å; I34-C38 PolarHBondContact O-N 3.05Å; I34-C38 PolarHBondContact O-SG 3.4Å
35	L	85.1	Confident	80.5	Confident	106 Å²	106	97.1 Å²	97.1	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-61.8	-41.9	177.9	-72.3	172	0	0	0	112.4	V31 R32 S39	V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CB 3.43Å; V31-L35 VanDerWaalsContact O-CG 3.22Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.34Å; R32-L35 PolarHBondContact O-N 3.46Å; L35-S39 VanDerWaalsContact O-CB 3.25Å; L35-S39 WeakPolarHBondContact O-CB 3.23Å; L35-S39 PolarHBondContact O-N 3.41Å; L35-S39 PolarHBondContact O-OG 2.74Å
36	V	87.3	Confident	82.1	Confident	81 Å²	81	98.4 Å²	98.4	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-44.4	175.6	169.9	0	0	0	0	110.8	R32 H33 I34 S39 L40	R32-V36 WeakPolarHBondContact O-CB 3.48Å; R32-V36 VanDerWaalsContact O-CG2 3.23Å; R32-V36 WeakPolarHBondContact O-CG2 3.39Å; R32-V36 PolarHBondContact O-N 3.34Å; H33-V36 PolarHBondContact O-N 3.15Å; I34-V36 PolarHBondContact O-N 2.86Å; V36-S39 PolarHBondContact O-N 3.12Å; V36-L40 HydrophobicContact CG1-CD1 3.81Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CB 3.25Å; V36-L40 VanDerWaalsContact O-CG 3.31Å; V36-L40 WeakPolarHBondContact O-CG 3.44Å; V36-L40 PolarHBondContact O-N 2.66Å
37	A	88.1	Confident	83.8	Confident	60 Å²	60	98.5 Å²	98.5	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-44.3	177.6	0	0	0	0	0	112	H33 I34 S39 L40 G41	H33-A37 VanDerWaalsContact O-CB 3.3Å; H33-A37 WeakPolarHBondContact O-CB 3.4Å; H33-A37 PolarHBondContact O-N 3.42Å; I34-A37 PolarHBondContact O-N 3.42Å; A37-S39 VanDerWaalsContact C-N 3.33Å; A37-S39 PolarHBondContact O-N 3.16Å; A37-L40 PolarHBondContact O-N 3.07Å; A37-G41 PolarHBondContact O-N 3.48Å
38	C	90	Very high	85.1	Confident	72 Å²	72	97.9 Å²	97.9	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-42.3	173.1	-70.6	0	0	0	0	111.4	I34 G41 L42	I34-C38 WeakPolarHBondContact O-CB 3.3Å; I34-C38 PolarHBondContact O-N 3.05Å; I34-C38 PolarHBondContact O-SG 3.4Å; C38-G41 PolarHBondContact O-N 3.49Å; C38-L42 WeakPolarHBondContact O-CB 3.43Å; C38-L42 VanDerWaalsContact O-CG 3.28Å; C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 2.95Å
39	S	89.2	Confident	86	Confident	64 Å²	64	91.7 Å²	91.7	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-47.9	178.2	-59.7	0	0	0	0	111.5	L35 V36 A37 G41 L42 V43	L35-S39 VanDerWaalsContact O-CB 3.25Å; L35-S39 WeakPolarHBondContact O-CB 3.23Å; L35-S39 PolarHBondContact O-N 3.41Å; L35-S39 PolarHBondContact O-OG 2.74Å; V36-S39 PolarHBondContact O-N 3.12Å; A37-S39 VanDerWaalsContact C-N 3.33Å; A37-S39 PolarHBondContact O-N 3.16Å; S39-G41 VanDerWaalsContact C-N 3.31Å; S39-G41 PolarHBondContact O-N 3.35Å; S39-L42 PolarHBondContact O-N 3.4Å; S39-V43 WeakPolarHBondContact O-CB 3.33Å; S39-V43 VanDerWaalsContact O-CG2 3.24Å; S39-V43 WeakPolarHBondContact O-CG2 3.42Å; S39-V43 PolarHBondContact O-N 3.27Å
40	L	91.8	Very high	87	Confident	106 Å²	106	91.4 Å²	91.4	56%	0.555	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-39.7	175.1	-73.2	172.5	0	0	0	111.5	V36 A37 V43 S44	V36-L40 HydrophobicContact CG1-CD1 3.81Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CB 3.25Å; V36-L40 VanDerWaalsContact O-CG 3.31Å; V36-L40 WeakPolarHBondContact O-CG 3.44Å; V36-L40 PolarHBondContact O-N 2.66Å; A37-L40 PolarHBondContact O-N 3.07Å; L40-V43 PolarHBondContact O-N 2.96Å; L40-S44 WeakPolarHBondContact O-CB 3.43Å; L40-S44 PolarHBondContact O-N 2.79Å; L40-S44 PolarHBondContact O-OG 2.88Å
41	G	91	Very high	87.8	Confident	41 Å²	41	92 Å²	92	42%	0.423	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-47.1	174.4	0	0	0	0	0	112.3	A37 C38 S39 S44 W45	A37-G41 PolarHBondContact O-N 3.48Å; C38-G41 PolarHBondContact O-N 3.49Å; S39-G41 VanDerWaalsContact C-N 3.31Å; S39-G41 PolarHBondContact O-N 3.35Å; G41-S44 PolarHBondContact O-N 2.71Å; G41-W45 VanDerWaalsContact O-CB 3.27Å; G41-W45 WeakPolarHBondContact O-CB 3.25Å; G41-W45 PolarHBondContact O-N 3.33Å
42	L	91.7	Very high	88.2	Confident	104 Å²	104	92.7 Å²	92.7	55%	0.545	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.4	-73.4	172.2	0	0	0	112.4	C38 S39 W45 K46	C38-L42 WeakPolarHBondContact O-CB 3.43Å; C38-L42 VanDerWaalsContact O-CG 3.28Å; C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 3.4Å; L42-W45 HydrophobicContact CD2-CE3 4.38Å; L42-W45 PolarHBondContact O-N 3.37Å; L42-K46 WeakPolarHBondContact O-CB 3.37Å; L42-K46 WeakPolarHBondContact O-CG 3.44Å; L42-K46 PolarHBondContact O-N 2.94Å
43	V	92.3	Very high	88.6	Confident	80 Å²	80	87.8 Å²	87.8	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-48	176	169.9	0	0	0	0	110.1	S39 L40 W45 K46 I47	S39-V43 WeakPolarHBondContact O-CB 3.33Å; S39-V43 VanDerWaalsContact O-CG2 3.24Å; S39-V43 WeakPolarHBondContact O-CG2 3.42Å; S39-V43 PolarHBondContact O-N 3.27Å; L40-V43 PolarHBondContact O-N 2.96Å; V43-W45 VanDerWaalsContact C-N 3.33Å; V43-W45 PolarHBondContact O-N 2.88Å; V43-K46 PolarHBondContact O-N 3.38Å; V43-I47 HydrophobicContact CG1-CD1 3.74Å; V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 VanDerWaalsContact O-CG1 3.28Å; V43-I47 WeakPolarHBondContact O-CG1 2.95Å; V43-I47 PolarHBondContact O-N 3.41Å
44	S	91	Very high	89.2	Confident	60 Å²	60	90 Å²	90	42%	0.42	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-43.6	177.5	-59	0	0	0	0	111.4	L40 G41 I47 I48	L40-S44 WeakPolarHBondContact O-CB 3.43Å; L40-S44 PolarHBondContact O-N 2.79Å; L40-S44 PolarHBondContact O-OG 2.88Å; G41-S44 PolarHBondContact O-N 2.71Å; S44-I47 PolarHBondContact O-N 3.26Å; S44-I48 WeakPolarHBondContact O-CB 3.23Å; S44-I48 VanDerWaalsContact O-CG1 3.24Å; S44-I48 WeakPolarHBondContact O-CG1 3.35Å; S44-I48 PolarHBondContact O-N 3.39Å
45	W	88.4	Confident	89.6	Confident	157 Å²	157	90.2 Å²	90.2	60%	0.595	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-43.7	175.6	176.4	64	0	0	0	112.2	G41 L42 V43 I48 T49	G41-W45 VanDerWaalsContact O-CB 3.27Å; G41-W45 WeakPolarHBondContact O-CB 3.25Å; G41-W45 PolarHBondContact O-N 3.33Å; L42-W45 HydrophobicContact CD2-CE3 4.38Å; L42-W45 PolarHBondContact O-N 3.37Å; V43-W45 VanDerWaalsContact C-N 3.33Å; V43-W45 PolarHBondContact O-N 2.88Å; W45-I48 PolarHBondContact O-N 2.64Å; W45-T49 WeakPolarHBondContact O-CB 3.39Å; W45-T49 VanDerWaalsContact O-CG2 3.3Å; W45-T49 WeakPolarHBondContact O-CG2 3.39Å; W45-T49 PolarHBondContact O-N 2.94Å; W45-T49 PolarHBondContact O-OG1 3.36Å
46	K	89.3	Confident	90	Very high	143 Å²	143	86 Å²	86	62%	0.622	46%	0.464	S	S	*	.	H	α-helix	trans	-62.2	-40.8	173.9	-80	-166.2	174.1	-171.8	0	112.5	L42 V43 T49 S50	L42-K46 WeakPolarHBondContact O-CB 3.37Å; L42-K46 WeakPolarHBondContact O-CG 3.44Å; L42-K46 PolarHBondContact O-N 2.94Å; V43-K46 PolarHBondContact O-N 3.38Å; K46-T49 VanDerWaalsContact CA-OG1 3.3Å; K46-T49 WeakPolarHBondContact CA-OG1 3.38Å; K46-T49 PolarHBondContact O-OG1 3.39Å; K46-S50 VanDerWaalsContact O-CB 3.26Å; K46-S50 WeakPolarHBondContact O-CB 3.23Å; K46-S50 PolarHBondContact O-N 3.34Å
47	I	92.2	Very high	90.3	Very high	91 Å²	91	87.3 Å²	87.3	47%	0.467	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-49.7	176.3	-69.1	167.1	0	0	0	110.3	V43 S44 T49 S50 I51	V43-I47 HydrophobicContact CG1-CD1 3.74Å; V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 VanDerWaalsContact O-CG1 3.28Å; V43-I47 WeakPolarHBondContact O-CG1 2.95Å; V43-I47 PolarHBondContact O-N 3.41Å; S44-I47 PolarHBondContact O-N 3.26Å; I47-T49 PolarHBondContact O-N 3.43Å; I47-S50 PolarHBondContact O-N 3.33Å; I47-I51 HydrophobicContact CG2-CD1 3.72Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 VanDerWaalsContact O-CG1 3.31Å; I47-I51 WeakPolarHBondContact O-CG1 3.39Å; I47-I51 PolarHBondContact O-N 2.9Å
48	I	89.8	Confident	90.7	Very high	81 Å²	81	91.4 Å²	91.4	42%	0.415	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-44.9	179.9	-69.6	165.1	0	0	0	111.1	S44 W45 I51 R52	S44-I48 WeakPolarHBondContact O-CB 3.23Å; S44-I48 VanDerWaalsContact O-CG1 3.24Å; S44-I48 WeakPolarHBondContact O-CG1 3.35Å; S44-I48 PolarHBondContact O-N 3.39Å; W45-I48 PolarHBondContact O-N 2.64Å; I48-I51 PolarHBondContact O-N 2.9Å; I48-R52 WeakPolarHBondContact O-CB 3.3Å; I48-R52 VanDerWaalsContact O-CG 3.29Å; I48-R52 WeakPolarHBondContact O-CG 3.38Å; I48-R52 PolarHBondContact O-N 3.28Å
49	T	86.7	Confident	91	Very high	48 Å²	48	90.1 Å²	90.1	29%	0.294	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-43.4	177.5	48.9	0	0	0	0	111.3	W45 K46 I47 I51 R52 T53	W45-T49 WeakPolarHBondContact O-CB 3.39Å; W45-T49 VanDerWaalsContact O-CG2 3.3Å; W45-T49 WeakPolarHBondContact O-CG2 3.39Å; W45-T49 PolarHBondContact O-N 2.94Å; W45-T49 PolarHBondContact O-OG1 3.36Å; K46-T49 VanDerWaalsContact CA-OG1 3.3Å; K46-T49 WeakPolarHBondContact CA-OG1 3.38Å; K46-T49 PolarHBondContact O-OG1 3.39Å; I47-T49 PolarHBondContact O-N 3.43Å; T49-I51 PolarHBondContact O-N 3.08Å; T49-R52 PolarHBondContact O-N 3.45Å; T49-T53 WeakPolarHBondContact O-CB 3.37Å; T49-T53 PolarHBondContact O-N 3.39Å; T49-T53 PolarHBondContact O-OG1 3Å
50	S	88.7	Confident	91.4	Very high	79 Å²	79	88.3 Å²	88.3	55%	0.552	44%	0.444	S	S	*	.	H	α-helix	trans	-60.6	-44.2	175.4	-171.1	0	0	0	0	112.7	K46 I47 T53 Y54	K46-S50 VanDerWaalsContact O-CB 3.26Å; K46-S50 WeakPolarHBondContact O-CB 3.23Å; K46-S50 PolarHBondContact O-N 3.34Å; I47-S50 PolarHBondContact O-N 3.33Å; S50-T53 PolarHBondContact O-N 3.35Å; S50-Y54 WeakPolarHBondContact O-CB 3.41Å; S50-Y54 PolarHBondContact O-N 2.84Å
51	I	90.5	Very high	91.7	Very high	86 Å²	86	89.9 Å²	89.9	44%	0.441	45%	0.446	S	S	.	.	H	α-helix	trans	-61.8	-45.6	176.9	-69.4	167.9	0	0	0	110.3	I47 I48 T49 Y54 Q55	I47-I51 HydrophobicContact CG2-CD1 3.72Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 VanDerWaalsContact O-CG1 3.31Å; I47-I51 WeakPolarHBondContact O-CG1 3.39Å; I47-I51 PolarHBondContact O-N 2.9Å; I48-I51 PolarHBondContact O-N 2.9Å; T49-I51 PolarHBondContact O-N 3.08Å; I51-Y54 PolarHBondContact O-N 2.9Å; I51-Q55 HydrophobicContact CG2-CG 4.49Å; I51-Q55 WeakPolarHBondContact O-CG 3.42Å; I51-Q55 PolarHBondContact O-N 2.68Å
52	R	87.7	Confident	92	Very high	113 Å²	113	89.8 Å²	89.8	43%	0.426	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-44.3	177.8	-73.6	174.6	-179.7	-173.7	0.1	111.9	I48 T49 Y54 Q55 N56	I48-R52 WeakPolarHBondContact O-CB 3.3Å; I48-R52 VanDerWaalsContact O-CG 3.29Å; I48-R52 WeakPolarHBondContact O-CG 3.38Å; I48-R52 PolarHBondContact O-N 3.28Å; T49-R52 PolarHBondContact O-N 3.45Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 3.4Å; R52-Q55 PolarHBondContact O-N 3.37Å; R52-N56 WeakPolarHBondContact O-CB 3.42Å; R52-N56 PolarHBondContact O-N 2.87Å
53	T	87.7	Confident	92.3	Very high	60 Å²	60	85 Å²	85	37%	0.368	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-43.5	176	-62.7	0	0	0	0	111	T49 S50 N56 Q57	T49-T53 WeakPolarHBondContact O-CB 3.37Å; T49-T53 PolarHBondContact O-N 3.39Å; T49-T53 PolarHBondContact O-OG1 3Å; S50-T53 PolarHBondContact O-N 3.35Å; T53-N56 PolarHBondContact O-N 2.83Å; T53-Q57 WeakPolarHBondContact O-CB 3.49Å; T53-Q57 VanDerWaalsContact O-CG 3.32Å; T53-Q57 WeakPolarHBondContact O-CG 3.45Å; T53-Q57 PolarHBondContact O-N 3.27Å
54	Y	91.2	Very high	92.5	Very high	149 Å²	149	85 Å²	85	58%	0.584	41%	0.409	S	S	*	.	H	α-helix	trans	-62.5	-44.8	175.7	175.6	-102.4	0	0	0	112.5	S50 I51 R52 N56 Q57 K58	S50-Y54 WeakPolarHBondContact O-CB 3.41Å; S50-Y54 PolarHBondContact O-N 2.84Å; I51-Y54 PolarHBondContact O-N 2.9Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 3.4Å; Y54-N56 PolarHBondContact O-N 3.13Å; Y54-Q57 PolarHBondContact O-N 3.28Å; Y54-K58 PolarHBondContact O-N 3.04Å
55	Q	92.3	Very high	92.8	Very high	114 Å²	114	88.2 Å²	88.2	53%	0.533	42%	0.419	S	S	.	.	H	α-helix	trans	-60.3	-45.1	175.5	-73.6	173.8	-16.4	0	0	111.8	I51 R52 K58 L59	I51-Q55 HydrophobicContact CG2-CG 4.49Å; I51-Q55 WeakPolarHBondContact O-CG 3.42Å; I51-Q55 PolarHBondContact O-N 2.68Å; R52-Q55 PolarHBondContact O-N 3.37Å; Q55-K58 PolarHBondContact O-N 3.43Å; Q55-L59 WeakPolarHBondContact O-CB 3.43Å; Q55-L59 PolarHBondContact O-N 3.08Å
56	N	93.2	Very high	93.3	Very high	18 Å²	18	87.3 Å²	87.3	10%	0.096	42%	0.415	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175.4	-75.1	-2.6	0	0	0	111.1	R52 T53 Y54 K58 L59 L60 I181 G423	R52-N56 WeakPolarHBondContact O-CB 3.42Å; R52-N56 PolarHBondContact O-N 2.87Å; T53-N56 PolarHBondContact O-N 2.83Å; Y54-N56 PolarHBondContact O-N 3.13Å; N56-K58 VanDerWaalsContact C-N 3.34Å; N56-K58 PolarHBondContact O-N 3.35Å; N56-L59 PolarHBondContact O-N 2.71Å; N56-L60 VanDerWaalsContact O-CB 3.31Å; N56-L60 WeakPolarHBondContact O-CB 3.39Å; N56-L60 PolarHBondContact O-N 2.9Å; N56-I181 HydrophobicContact CB-CD1 4.42Å; N56-I181 HydrophobicContact CB-CG2 4.01Å; N56-I181 WeakPolarHBondContact O-CG2 3.45Å; N56-G423 PolarHBondContact ND2-O 3.09Å
57	Q	93.6	Very high	93.6	Very high	107 Å²	107	81.2 Å²	81.2	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-40.6	176.8	-75.7	177.2	-5.8	0	0	112.7	T53 Y54 K61	T53-Q57 WeakPolarHBondContact O-CB 3.49Å; T53-Q57 VanDerWaalsContact O-CG 3.32Å; T53-Q57 WeakPolarHBondContact O-CG 3.45Å; T53-Q57 PolarHBondContact O-N 3.27Å; Y54-Q57 PolarHBondContact O-N 3.28Å; Q57-K61 WeakPolarHBondContact O-CB 3.49Å; Q57-K61 WeakPolarHBondContact O-CG 3.43Å; Q57-K61 PolarHBondContact O-N 3.19Å
58	K	95.8	Very high	93.8	Very high	147 Å²	147	80.9 Å²	80.9	64%	0.639	39%	0.393	S	S	*	.	H	α-helix	trans	-63.7	-44.2	175.7	-175.5	179.3	177.9	-178.6	0	111.3	Y54 Q55 N56 S62	Y54-K58 PolarHBondContact O-N 3.04Å; Q55-K58 PolarHBondContact O-N 3.43Å; N56-K58 VanDerWaalsContact C-N 3.34Å; N56-K58 PolarHBondContact O-N 3.35Å; K58-S62 WeakPolarHBondContact O-CB 3.49Å; K58-S62 PolarHBondContact O-N 3.41Å
59	L	96.7	Very high	94.2	Very high	44 Å²	44	80.7 Å²	80.7	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-63.9	-44.8	178.2	-177.3	58.3	0	0	0	111.5	Q55 N56 S62 K63 I181 C184 N185	Q55-L59 WeakPolarHBondContact O-CB 3.43Å; Q55-L59 PolarHBondContact O-N 3.08Å; N56-L59 PolarHBondContact O-N 2.71Å; L59-S62 WeakPolarHBondContact O-CB 3.45Å; L59-S62 PolarHBondContact O-N 3.45Å; L59-K63 PolarHBondContact O-N 3.49Å; L59-I181 HydrophobicContact CB-CG2 4.18Å; L59-I181 HydrophobicContact CD2-CG2 4.26Å; L59-I181 WeakPolarHBondContact CD2-O 3.46Å; L59-I181 HydrophobicContact CG-CG2 4.26Å; L59-C184 HydrophobicContact CD1-CB 4.1Å; L59-C184 HydrophobicContact CD2-CB 4.27Å; L59-C184 HydrophobicContact CG-CB 3.88Å; L59-N185 HydrophobicContact CD1-CB 4.12Å; L59-N185 WeakPolarHBondContact CD1-ND2 3.35Å
60	L	97.3	Very high	94.7	Very high	26 Å²	26	78.9 Å²	78.9	14%	0.136	38%	0.381	C	S	.	.	H	α-helix	trans	-58.2	-51.7	175.6	175.4	60.2	0	0	0	111.7	N56 S62 K63 Q64 I181 V223 I224	N56-L60 VanDerWaalsContact O-CB 3.31Å; N56-L60 WeakPolarHBondContact O-CB 3.39Å; N56-L60 PolarHBondContact O-N 2.9Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 3.47Å; L60-K63 PolarHBondContact O-N 2.97Å; L60-K63 VanDerWaalsContact O-N 3.11Å; L60-Q64 HydrophobicContact CD1-CG 4.03Å; L60-Q64 HydrophobicContact CG-CG 4.47Å; L60-Q64 WeakPolarHBondContact O-CG 3.23Å; L60-Q64 PolarHBondContact O-N 3.49Å; L60-I181 HydrophobicContact CB-CD1 4.21Å; L60-I181 HydrophobicContact CB-CG1 4.33Å; L60-I181 HydrophobicContact CB-CG2 3.99Å; L60-I181 HydrophobicContact CD1-CG1 4.34Å; L60-I181 HydrophobicContact CD2-CD1 3.99Å; L60-V223 WeakPolarHBondContact CD1-O 3.31Å; L60-V223 HydrophobicContact CD2-CG2 4.31Å; L60-I224 HydrophobicContact CD1-CB 4.35Å; L60-I224 HydrophobicContact CD1-CG1 4.09Å
61	K	97.5	Very high	95.1	Very high	139 Å²	139	75.7 Å²	75.7	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-57.6	-43.4	177.2	-75.3	179.8	179	-175.6	0	111.7	Q57 K63 Q64 M65	Q57-K61 WeakPolarHBondContact O-CB 3.49Å; Q57-K61 WeakPolarHBondContact O-CG 3.43Å; Q57-K61 PolarHBondContact O-N 3.19Å; K61-K63 VanDerWaalsContact C-N 3.33Å; K61-K63 PolarHBondContact O-N 3.31Å; K61-Q64 PolarHBondContact O-N 3.27Å; K61-M65 WeakPolarHBondContact O-CG 3.45Å; K61-M65 PolarHBondContact O-N 3.38Å
62	S	97.8	Very high	95.4	Very high	39 Å²	39	75.4 Å²	75.4	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.6	177.4	0	0	0	0	112.3	K58 L59 L60 R66 N185	K58-S62 WeakPolarHBondContact O-CB 3.49Å; K58-S62 PolarHBondContact O-N 3.41Å; L59-S62 WeakPolarHBondContact O-CB 3.45Å; L59-S62 PolarHBondContact O-N 3.45Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 3.47Å; S62-R66 PolarHBondContact O-N 3.44Å; S62-N185 PolarHBondContact OG-ND2 3.04Å; S62-N185 VanDerWaalsContact OG-ND2 3.08Å
63	K	97.9	Very high	95.9	Very high	5 Å²	5	74.5 Å²	74.5	2%	0.022	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-45.4	176.3	177.5	60.5	177.9	-171.2	0	111.9	L59 L60 K61 M65 R66 V67 D175 C184 I224 Y225	L59-K63 PolarHBondContact O-N 3.49Å; L60-K63 PolarHBondContact O-N 2.97Å; L60-K63 VanDerWaalsContact O-N 3.11Å; K61-K63 VanDerWaalsContact C-N 3.33Å; K61-K63 PolarHBondContact O-N 3.31Å; K63-M65 VanDerWaalsContact C-N 3.28Å; K63-M65 PolarHBondContact O-N 2.99Å; K63-R66 CarbonylContact O-C 3.53Å; K63-R66 WeakPolarHBondContact O-CA 3.4Å; K63-R66 WeakPolarHBondContact O-CB 3.28Å; K63-R66 PolarHBondContact O-N 3.16Å; K63-V67 HydrophobicContact CD-CG2 4.39Å; K63-V67 HydrophobicContact CG-CG2 4.41Å; K63-V67 WeakPolarHBondContact O-CG2 3.31Å; K63-V67 PolarHBondContact O-N 3.01Å; K63-D175 WeakPolarHBondContact CD-OD2 3.42Å; K63-D175 WeakPolarHBondContact CE-OD2 3.29Å; K63-D175 IonicContact NZ-OD2 2.69Å; K63-D175 PolarHBondContact NZ-OD2 3.21Å; K63-C184 HydrophobicContact CB-CB 3.81Å; K63-C184 HydrophobicContact CD-CB 4.38Å; K63-C184 HydrophobicContact CG-CB 3.99Å; K63-I224 HydrophobicContact CB-CG2 4.4Å; K63-I224 HydrophobicContact CD-CG2 4.46Å; K63-I224 HydrophobicContact CG-CG2 3.42Å; K63-I224 VanDerWaalsContact CG-CG2 3.42Å; K63-Y225 VanDerWaalsContact CE-OH 3.28Å; K63-Y225 WeakPolarHBondContact CE-OH 3.49Å; K63-Y225 PolarHBondContact NZ-OH 3.36Å
64	Q	97.2	Very high	96.3	Very high	78 Å²	78	71.9 Å²	71.9	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-39.9	178.4	-74.6	174.8	-32.6	0	0	111.8	L60 K61 R66 V67 T68	L60-Q64 HydrophobicContact CD1-CG 4.03Å; L60-Q64 HydrophobicContact CG-CG 4.47Å; L60-Q64 WeakPolarHBondContact O-CG 3.23Å; L60-Q64 PolarHBondContact O-N 3.49Å; K61-Q64 PolarHBondContact O-N 3.27Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.39Å; Q64-V67 WeakPolarHBondContact O-CB 3.37Å; Q64-V67 PolarHBondContact O-N 3.39Å; Q64-T68 PolarHBondContact O-N 3.01Å; Q64-T68 PolarHBondContact O-OG1 3.48Å
65	M	97.9	Very high	96.5	Very high	128 Å²	128	68.5 Å²	68.5	63%	0.631	32%	0.323	S	S	*	.	H	α-helix	trans	-59.8	-39.8	171.9	-71.3	-174.2	-64.8	0	0	112.7	K61 K63 T68 D69	K61-M65 WeakPolarHBondContact O-CG 3.45Å; K61-M65 PolarHBondContact O-N 3.38Å; K63-M65 VanDerWaalsContact C-N 3.28Å; K63-M65 PolarHBondContact O-N 2.99Å; M65-T68 PolarHBondContact O-N 2.65Å; M65-D69 WeakPolarHBondContact O-CB 3.41Å; M65-D69 PolarHBondContact O-N 3.1Å
66	R	97.3	Very high	96.6	Very high	138 Å²	138	68.6 Å²	68.6	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-69	-33.9	175.4	-67.6	-177.6	-178.8	-144.3	-0.8	112.8	S62 K63 Q64 N70 N185	S62-R66 PolarHBondContact O-N 3.44Å; K63-R66 CarbonylContact O-C 3.53Å; K63-R66 WeakPolarHBondContact O-CA 3.4Å; K63-R66 WeakPolarHBondContact O-CB 3.28Å; K63-R66 PolarHBondContact O-N 3.16Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.39Å; R66-N70 VanDerWaalsContact O-CB 3.28Å; R66-N70 WeakPolarHBondContact O-CB 3.28Å; R66-N70 PolarHBondContact O-N 3.3Å; R66-N185 WeakPolarHBondContact CD-OD1 3.37Å
67	V	96.8	Very high	96.6	Very high	16 Å²	16	69.4 Å²	69.4	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-50	173	176.2	0	0	0	0	109.2	K63 Q64 D69 N70 M71 L133 Y225	K63-V67 HydrophobicContact CD-CG2 4.39Å; K63-V67 HydrophobicContact CG-CG2 4.41Å; K63-V67 WeakPolarHBondContact O-CG2 3.31Å; K63-V67 PolarHBondContact O-N 3.01Å; Q64-V67 WeakPolarHBondContact O-CB 3.37Å; Q64-V67 PolarHBondContact O-N 3.39Å; V67-D69 PolarHBondContact O-N 2.91Å; V67-N70 WeakPolarHBondContact O-CB 3.45Å; V67-N70 PolarHBondContact O-N 3.24Å; V67-M71 HydrophobicContact CG1-CE 4.03Å; V67-M71 HydrophobicContact CG1-CG 4.49Å; V67-M71 VanDerWaalsContact O-CG 3.3Å; V67-M71 WeakPolarHBondContact O-CG 3.07Å; V67-M71 PolarHBondContact O-N 3.07Å; V67-L133 HydrophobicContact CB-CD2 4.41Å; V67-L133 HydrophobicContact CG2-CD2 4Å; V67-Y225 HydrophobicContact CG1-CD1 4.18Å; V67-Y225 HydrophobicContact CG2-CD1 3.71Å; V67-Y225 HydrophobicContact CG2-CE1 3.51Å
68	T	96.6	Very high	96.5	Very high	84 Å²	84	64.3 Å²	64.3	52%	0.515	31%	0.309	S	S	.	.	H	α-helix	trans	-57	-48.7	175.9	-56.2	0	0	0	0	111.7	Q64 M65 N70 M71 E72	Q64-T68 PolarHBondContact O-N 3.01Å; Q64-T68 PolarHBondContact O-OG1 3.48Å; M65-T68 PolarHBondContact O-N 2.65Å; T68-N70 VanDerWaalsContact C-N 3.32Å; T68-N70 PolarHBondContact O-N 2.96Å; T68-M71 PolarHBondContact O-N 3.38Å; T68-M71 VanDerWaalsContact O-N 3.16Å; T68-E72 HydrophobicContact CG2-CG 4.42Å; T68-E72 WeakPolarHBondContact O-CG 3.48Å; T68-E72 PolarHBondContact O-N 3.33Å
69	D	97.9	Very high	96.3	Very high	76 Å²	76	61.9 Å²	61.9	41%	0.406	31%	0.307	S	S	.	.	H	α-helix	trans	-58.6	-39.8	176.2	174.7	69.1	0	0	0	112.8	M65 V67 E72 K73	M65-D69 WeakPolarHBondContact O-CB 3.41Å; M65-D69 PolarHBondContact O-N 3.1Å; V67-D69 PolarHBondContact O-N 2.91Å; D69-E72 PolarHBondContact O-N 2.85Å; D69-K73 WeakPolarHBondContact O-CB 3.44Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.24Å; D69-K73 PolarHBondContact O-N 3.12Å; D69-K73 VanDerWaalsContact OD1-CE 3.29Å; D69-K73 WeakPolarHBondContact OD1-CE 3.38Å; D69-K73 IonicContact OD1-NZ 2.71Å; D69-K73 PolarHBondContact OD1-NZ 2.75Å; D69-K73 WeakPolarHBondContact OD2-CE 3.27Å; D69-K73 IonicContact OD2-NZ 2.82Å; D69-K73 PolarHBondContact OD2-NZ 3.39Å
70	N	97.6	Very high	95.9	Very high	10 Å²	10	67.8 Å²	67.8	5%	0.053	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-43.9	174.8	175.9	-98.1	0	0	0	112.2	R66 V67 T68 M74 L133 F134	R66-N70 VanDerWaalsContact O-CB 3.28Å; R66-N70 WeakPolarHBondContact O-CB 3.28Å; R66-N70 PolarHBondContact O-N 3.3Å; V67-N70 WeakPolarHBondContact O-CB 3.45Å; V67-N70 PolarHBondContact O-N 3.24Å; T68-N70 VanDerWaalsContact C-N 3.32Å; T68-N70 PolarHBondContact O-N 2.96Å; N70-M74 PolarHBondContact O-N 3.14Å; N70-M74 VanDerWaalsContact O-N 3.15Å; N70-L133 HydrophobicContact CB-CD2 3.82Å; N70-F134 PolarHBondContact ND2-O 2.66Å; N70-F134 PolarHBondContact OD1-N 3.48Å
71	M	96.4	Very high	95.4	Very high	12 Å²	12	69.4 Å²	69.4	6%	0.059	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-42.5	177.5	-60.2	-59	160.8	0	0	111.6	V67 T68 M74 R75 Q124 I131 A132 F134	V67-M71 HydrophobicContact CG1-CE 4.03Å; V67-M71 HydrophobicContact CG1-CG 4.49Å; V67-M71 VanDerWaalsContact O-CG 3.3Å; V67-M71 WeakPolarHBondContact O-CG 3.07Å; V67-M71 PolarHBondContact O-N 3.07Å; T68-M71 PolarHBondContact O-N 3.38Å; T68-M71 VanDerWaalsContact O-N 3.16Å; M71-M74 PolarHBondContact O-N 3.33Å; M71-R75 PolarHBondContact O-N 3.47Å; M71-Q124 HydrophobicContact CG-CG 4.45Å; M71-Q124 HydrophobicContact SD-CG 3.83Å; M71-I131 HydrophobicContact CE-CG2 4.21Å; M71-A132 WeakPolarHBondContact CE-O 3.26Å; M71-F134 HydrophobicContact CE-CD2 4.32Å; M71-F134 HydrophobicContact SD-CD2 3.53Å; M71-F134 VanDerWaalsContact SD-CD2 3.53Å; M71-F134 HydrophobicContact SD-CE2 3.5Å; M71-F134 VanDerWaalsContact SD-CE2 3.5Å
72	E	97	Very high	94.1	Very high	81 Å²	81	68.9 Å²	68.9	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-42.5	177.8	-70.3	-52.2	137.8	0	0	112	T68 D69 M74 R75 E76	T68-E72 HydrophobicContact CG2-CG 4.42Å; T68-E72 WeakPolarHBondContact O-CG 3.48Å; T68-E72 PolarHBondContact O-N 3.33Å; D69-E72 PolarHBondContact O-N 2.85Å; E72-M74 VanDerWaalsContact C-N 3.29Å; E72-M74 PolarHBondContact O-N 3.06Å; E72-R75 WeakPolarHBondContact O-CB 3.43Å; E72-R75 PolarHBondContact O-N 3Å; E72-R75 VanDerWaalsContact O-N 3.11Å; E72-R75 IonicContact OE2-NE 3.79Å; E72-E76 WeakPolarHBondContact O-CG 3.24Å; E72-E76 PolarHBondContact O-N 2.87Å
73	K	97.6	Very high	93.1	Very high	93 Å²	93	73.9 Å²	73.9	40%	0.404	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-40.7	174.1	-77.8	170.5	178.3	164.2	0	112.6	D69 A77 L136	D69-K73 WeakPolarHBondContact O-CB 3.44Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.24Å; D69-K73 PolarHBondContact O-N 3.12Å; D69-K73 VanDerWaalsContact OD1-CE 3.29Å; D69-K73 WeakPolarHBondContact OD1-CE 3.38Å; D69-K73 IonicContact OD1-NZ 2.71Å; D69-K73 PolarHBondContact OD1-NZ 2.75Å; D69-K73 WeakPolarHBondContact OD2-CE 3.27Å; D69-K73 IonicContact OD2-NZ 2.82Å; D69-K73 PolarHBondContact OD2-NZ 3.39Å; K73-A77 WeakPolarHBondContact O-CB 3.48Å; K73-A77 PolarHBondContact O-N 2.83Å; K73-L136 HydrophobicContact CB-CD1 4.28Å; K73-L136 HydrophobicContact CB-CD2 4.25Å; K73-L136 HydrophobicContact CD-CD1 3.88Å
74	M	96.7	Very high	92	Very high	6 Å²	6	75 Å²	75	3%	0.03	38%	0.375	C	S	.	.	H	α-helix	trans	-64.9	-44.9	174.4	-177.8	51.9	62.7	0	0	111.1	N70 M71 E72 E76 A77 L78 Q117 F134 L136	N70-M74 PolarHBondContact O-N 3.14Å; N70-M74 VanDerWaalsContact O-N 3.15Å; M71-M74 PolarHBondContact O-N 3.33Å; E72-M74 VanDerWaalsContact C-N 3.29Å; E72-M74 PolarHBondContact O-N 3.06Å; M74-E76 PolarHBondContact O-N 3.15Å; M74-A77 PolarHBondContact O-N 2.83Å; M74-L78 HydrophobicContact CG-CD1 4.22Å; M74-L78 WeakPolarHBondContact O-CG 3.28Å; M74-L78 PolarHBondContact O-N 3.09Å; M74-L78 HydrophobicContact SD-CD1 4.06Å; M74-L78 HydrophobicContact SD-CD2 4.35Å; M74-L78 HydrophobicContact SD-CG 3.91Å; M74-Q117 HydrophobicContact CE-CG 4.4Å; M74-Q117 VanDerWaalsContact CE-NE2 3.34Å; M74-Q117 HydrophobicContact SD-CB 4.18Å; M74-Q117 HydrophobicContact SD-CG 4.21Å; M74-F134 HydrophobicContact CB-CB 4.34Å; M74-F134 HydrophobicContact CB-CD2 3.86Å; M74-F134 HydrophobicContact CB-CE2 4.28Å; M74-F134 HydrophobicContact CB-CG 3.99Å; M74-F134 HydrophobicContact CE-CB 3.77Å; M74-F134 HydrophobicContact CE-CD1 3.76Å; M74-F134 HydrophobicContact CE-CG 3.9Å; M74-F134 HydrophobicContact CG-CB 4.42Å; M74-F134 HydrophobicContact CG-CD1 3.76Å; M74-F134 HydrophobicContact CG-CD2 3.84Å; M74-F134 HydrophobicContact CG-CE1 3.88Å; M74-F134 HydrophobicContact CG-CE2 3.96Å; M74-F134 HydrophobicContact CG-CG 3.74Å; M74-F134 HydrophobicContact CG-CZ 3.98Å; M74-F134 HydrophobicContact SD-CD1 4.24Å; M74-L136 HydrophobicContact CE-CD2 4.2Å
75	R	94.9	Very high	91.2	Very high	77 Å²	77	75 Å²	75	29%	0.291	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-44.7	176.8	-170.5	-176.8	-56.5	-79.6	-2.1	111.9	M71 E72 L78 T79 L121 D125	M71-R75 PolarHBondContact O-N 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.43Å; E72-R75 PolarHBondContact O-N 3Å; E72-R75 VanDerWaalsContact O-N 3.11Å; E72-R75 IonicContact OE2-NE 3.79Å; R75-L78 PolarHBondContact O-N 2.88Å; R75-T79 VanDerWaalsContact O-CB 3.31Å; R75-T79 WeakPolarHBondContact O-CB 3.25Å; R75-T79 PolarHBondContact O-N 3.11Å; R75-T79 PolarHBondContact O-OG1 3.21Å; R75-L121 HydrophobicContact CB-CD2 4Å; R75-L121 HydrophobicContact CG-CD2 4.11Å; R75-D125 IonicContact CZ-OD1 2.73Å; R75-D125 IonicContact CZ-OD2 3.84Å; R75-D125 IonicContact NH1-OD1 3.57Å; R75-D125 IonicContact NH1-OD2 3.89Å; R75-D125 PolarHBondContact NH1-OD2 3.05Å; R75-D125 IonicContact NH2-OD1 2.71Å; R75-D125 PolarHBondContact NH2-OD1 3.44Å; R75-D125 IonicContact NH2-OD2 3.58Å; R75-D125 PolarHBondContact NH2-OD2 3.19Å
76	E	95.3	Very high	90.7	Very high	117 Å²	117	69.6 Å²	69.6	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-43.2	176.6	-74	179.8	-175.3	0	0	112.1	E72 M74 T79 K80	E72-E76 WeakPolarHBondContact O-CG 3.24Å; E72-E76 PolarHBondContact O-N 2.87Å; M74-E76 PolarHBondContact O-N 3.15Å; E76-T79 PolarHBondContact O-N 3.14Å; E76-K80 WeakPolarHBondContact O-CG 3.42Å; E76-K80 PolarHBondContact O-N 3.49Å
77	A	93.6	Very high	90.3	Very high	34 Å²	34	67.1 Å²	67.1	28%	0.281	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-47.8	176.5	0	0	0	0	0	111.3	K73 M74 K80	K73-A77 WeakPolarHBondContact O-CB 3.48Å; K73-A77 PolarHBondContact O-N 2.83Å; M74-A77 PolarHBondContact O-N 2.83Å; A77-K80 PolarHBondContact O-N 3.11Å
78	L	91.8	Very high	90.1	Very high	1 Å²	1	69 Å²	69	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-70.9	-33.4	179.8	-65.5	-178.2	0	0	0	113.2	M74 R75 K80 L81 Q117 F118 L121	M74-L78 HydrophobicContact CG-CD1 4.22Å; M74-L78 WeakPolarHBondContact O-CG 3.28Å; M74-L78 PolarHBondContact O-N 3.09Å; M74-L78 HydrophobicContact SD-CD1 4.06Å; M74-L78 HydrophobicContact SD-CD2 4.35Å; M74-L78 HydrophobicContact SD-CG 3.91Å; R75-L78 PolarHBondContact O-N 2.88Å; L78-K80 PolarHBondContact O-N 2.87Å; L78-L81 HydrophobicContact CD2-CD1 4.04Å; L78-L81 WeakPolarHBondContact O-CB 3.31Å; L78-L81 PolarHBondContact O-N 2.76Å; L78-L81 VanDerWaalsContact O-N 3.08Å; L78-Q117 HydrophobicContact CD1-CB 4.07Å; L78-Q117 HydrophobicContact CD2-CB 4.06Å; L78-F118 HydrophobicContact CB-CD1 4.31Å; L78-F118 HydrophobicContact CB-CE1 3.76Å; L78-F118 HydrophobicContact CB-CE2 4.3Å; L78-F118 HydrophobicContact CB-CZ 3.75Å; L78-F118 HydrophobicContact CD1-CD1 4.02Å; L78-F118 HydrophobicContact CD1-CD2 4.44Å; L78-F118 HydrophobicContact CD1-CE1 4.31Å; L78-F118 HydrophobicContact CD1-CG 4.09Å; L78-F118 HydrophobicContact CD2-CD2 4.04Å; L78-F118 HydrophobicContact CD2-CE2 3.88Å; L78-F118 HydrophobicContact CD2-CZ 4.22Å; L78-F118 HydrophobicContact CG-CE1 4.47Å; L78-F118 HydrophobicContact CG-CZ 4.42Å; L78-F118 WeakPolarHBondContact O-CZ 3.39Å; L78-L121 HydrophobicContact CD1-CB 4.39Å; L78-L121 HydrophobicContact CD1-CD2 3.95Å
79	T	90.6	Very high	90	Very high	96 Å²	96	69.5 Å²	69.5	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-33.8	177.5	-60.2	0	0	0	0	111.7	R75 E76 L81 T82	R75-T79 VanDerWaalsContact O-CB 3.31Å; R75-T79 WeakPolarHBondContact O-CB 3.25Å; R75-T79 PolarHBondContact O-N 3.11Å; R75-T79 PolarHBondContact O-OG1 3.21Å; E76-T79 PolarHBondContact O-N 3.14Å; T79-L81 PolarHBondContact O-N 2.97Å; T79-T82 PolarHBondContact O-N 2.95Å; T79-T82 VanDerWaalsContact O-N 3.08Å
80	K	89.3	Confident	89.8	Confident	167 Å²	167	66 Å²	66	73%	0.726	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.2	176	-69.1	168.4	-173	171.9	0	113.3	E76 A77 L78 T82	E76-K80 WeakPolarHBondContact O-CG 3.42Å; E76-K80 PolarHBondContact O-N 3.49Å; A77-K80 PolarHBondContact O-N 3.11Å; L78-K80 PolarHBondContact O-N 2.87Å; K80-T82 VanDerWaalsContact C-N 3.31Å
81	L	85.1	Confident	89.8	Confident	60 Å²	60	65.7 Å²	65.7	31%	0.314	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.1	177.5	-56.6	170.1	0	0	0	112.4	L78 T79 Q83 H114 F118	L78-L81 HydrophobicContact CD2-CD1 4.04Å; L78-L81 WeakPolarHBondContact O-CB 3.31Å; L78-L81 PolarHBondContact O-N 2.76Å; L78-L81 VanDerWaalsContact O-N 3.08Å; T79-L81 PolarHBondContact O-N 2.97Å; L81-Q83 PolarHBondContact O-N 2.91Å; L81-H114 HydrophobicContact CD1-CB 4.31Å; L81-H114 WeakPolarHBondContact CD1-CE1 3.38Å; L81-H114 WeakPolarHBondContact CD1-ND1 3.32Å; L81-F118 HydrophobicContact CD1-CE2 4.27Å
82	T	71.6	Confident	89.8	Confident	129 Å²	129	68.9 Å²	68.9	79%	0.791	37%	0.374	S	S	*	.	S	Bend	trans	60.1	-46.7	-171.2	55.9	0	0	0	0	115.8	T79 K80	T79-T82 PolarHBondContact O-N 2.95Å; T79-T82 VanDerWaalsContact O-N 3.08Å; K80-T82 VanDerWaalsContact C-N 3.31Å
83	Q	75.7	Confident	89.7	Confident	144 Å²	144	68.5 Å²	68.5	67%	0.673	37%	0.372	S	S	*	.	S	Bend	trans	-151.1	156.3	176.2	62.5	-176.5	-1.9	0	0	110.2	L81 S85	L81-Q83 PolarHBondContact O-N 2.91Å; Q83-S85 PolarHBondContact O-N 2.88Å
84	P	74.4	Confident	89.5	Confident	29 Å²	29	67.2 Å²	67.2	19%	0.188	37%	0.369	C	S	.	.			trans	-53.7	137	168.4	-18.3	26.7	0	0	0	110.8	V86 M88 F118	P84-V86 VanDerWaalsContact CB-O 3.29Å; P84-V86 WeakPolarHBondContact CB-O 3.41Å; P84-V86 PolarHBondContact O-N 3.28Å; P84-M88 HydrophobicContact CB-SD 4.16Å; P84-M88 HydrophobicContact CG-CG 4.06Å; P84-M88 HydrophobicContact CG-SD 3.5Å; P84-M88 VanDerWaalsContact CG-SD 3.5Å; P84-F118 HydrophobicContact CB-CD2 4.13Å; P84-F118 HydrophobicContact CB-CE2 4.32Å; P84-F118 HydrophobicContact CG-CB 4.4Å; P84-F118 HydrophobicContact CG-CD2 3.56Å; P84-F118 HydrophobicContact CG-CE2 3.87Å; P84-F118 HydrophobicContact CG-CG 3.95Å; P84-F118 HydrophobicContact CG-CZ 4.49Å
85	S	82	Confident	89.5	Confident	77 Å²	77	67 Å²	67	54%	0.538	37%	0.368	S	S	.	.	S	Bend	trans	-68.1	-17.1	174.3	50.6	0	0	0	0	113.1	Q83 D111	Q83-S85 PolarHBondContact O-N 2.88Å; S85-D111 WeakPolarHBondContact CB-OD1 3.33Å; S85-D111 WeakPolarHBondContact OG-CB 3.5Å; S85-D111 VanDerWaalsContact OG-CG 3.25Å; S85-D111 PolarHBondContact OG-OD1 3.47Å
86	V	87.1	Confident	89.5	Confident	15 Å²	15	66.7 Å²	66.7	9%	0.091	38%	0.378	C	S	.	.	S	Bend	trans	-125.9	151.7	-179.8	-68.2	0	0	0	0	110.8	P84 M88 I90 M107 D111 A115	P84-V86 VanDerWaalsContact CB-O 3.29Å; P84-V86 WeakPolarHBondContact CB-O 3.41Å; P84-V86 PolarHBondContact O-N 3.28Å; V86-M88 PolarHBondContact O-N 2.85Å; V86-I90 HydrophobicContact CB-CD1 4.4Å; V86-I90 HydrophobicContact CG2-CD1 3.57Å; V86-I90 HydrophobicContact CG2-CG1 4.34Å; V86-M107 HydrophobicContact CG1-CG 3.95Å; V86-M107 HydrophobicContact CG1-SD 4.37Å; V86-D111 HydrophobicContact CG1-CB 3.77Å; V86-D111 HydrophobicContact CG2-CB 4.16Å; V86-D111 WeakPolarHBondContact CG2-O 3.41Å; V86-A115 HydrophobicContact CG2-CB 4.02Å
87	P	89	Confident	89.5	Confident	85 Å²	85	64.6 Å²	64.6	55%	0.552	37%	0.365	S	S	*	.			trans	-58.8	137.2	178.2	-24.8	35	0	0	0	112.7	T89 I90	P87-T89 PolarHBondContact O-N 3.49Å; P87-I90 WeakPolarHBondContact O-CG1 3.28Å; P87-I90 WeakPolarHBondContact O-CG2 3.27Å; P87-I90 PolarHBondContact O-N 2.79Å
88	M	92.6	Very high	89.7	Confident	56 Å²	56	63 Å²	63	28%	0.276	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-61.5	-13.4	177.7	-69.9	-61.9	-63.7	0	0	114.1	P84 V86 I90 C91 A115 F118 R119	P84-M88 HydrophobicContact CB-SD 4.16Å; P84-M88 HydrophobicContact CG-CG 4.06Å; P84-M88 HydrophobicContact CG-SD 3.5Å; P84-M88 VanDerWaalsContact CG-SD 3.5Å; V86-M88 PolarHBondContact O-N 2.85Å; M88-I90 PolarHBondContact O-N 3.39Å; M88-C91 PolarHBondContact O-N 3.44Å; M88-A115 WeakPolarHBondContact CE-O 3.15Å; M88-A115 HydrophobicContact SD-CB 4.44Å; M88-F118 HydrophobicContact CE-CB 3.98Å; M88-F118 HydrophobicContact SD-CB 3.97Å; M88-R119 HydrophobicContact CE-CB 3.73Å
89	T	93.5	Very high	89.8	Confident	94 Å²	94	63.4 Å²	63.4	58%	0.577	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59	-26.7	175.1	52.5	0	0	0	0	112.4	P87 C91 S92	P87-T89 PolarHBondContact O-N 3.49Å; T89-C91 PolarHBondContact O-N 3.25Å; T89-C91 VanDerWaalsContact O-N 3.11Å; T89-S92 PolarHBondContact O-N 2.86Å
90	I	94.9	Very high	90.1	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.5	178.8	71.6	161.8	0	0	0	113.2	V86 P87 M88 S92 E93 L98 M107 V112 A115	V86-I90 HydrophobicContact CB-CD1 4.4Å; V86-I90 HydrophobicContact CG2-CD1 3.57Å; V86-I90 HydrophobicContact CG2-CG1 4.34Å; P87-I90 WeakPolarHBondContact O-CG1 3.28Å; P87-I90 WeakPolarHBondContact O-CG2 3.27Å; P87-I90 PolarHBondContact O-N 2.79Å; M88-I90 PolarHBondContact O-N 3.39Å; I90-S92 PolarHBondContact O-N 3.35Å; I90-E93 WeakPolarHBondContact O-CB 3.49Å; I90-E93 PolarHBondContact O-N 2.97Å; I90-E93 VanDerWaalsContact O-N 3.13Å; I90-L98 HydrophobicContact CB-CD2 4.04Å; I90-L98 HydrophobicContact CD1-CD2 4.41Å; I90-M107 HydrophobicContact CD1-SD 4.32Å; I90-M107 HydrophobicContact CG2-CE 3.73Å; I90-M107 HydrophobicContact CG2-SD 4.24Å; I90-V112 HydrophobicContact CD1-CG2 4.34Å; I90-A115 HydrophobicContact CD1-CB 3.62Å; I90-A115 HydrophobicContact CG1-CB 3.81Å
91	C	96.6	Very high	90.4	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.02	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.5	178.6	-66.6	0	0	0	0	112.8	M88 T89 F116 R119 C252 R310	M88-C91 PolarHBondContact O-N 3.44Å; T89-C91 PolarHBondContact O-N 3.25Å; T89-C91 VanDerWaalsContact O-N 3.11Å; C91-F116 HydrophobicContact CB-CD1 4.28Å; C91-F116 HydrophobicContact CB-CE1 3.86Å; C91-F116 HydrophobicContact CB-CZ 4.29Å; C91-R119 HydrophobicContact CB-CG 4.49Å; C91-C252 HydrophobicContact CB-CB 4.46Å; C91-C252 WeakPolarHBondContact O-CB 3.42Å; C91-R310 PolarHBondContact O-NH2 3.35Å; C91-R310 VanDerWaalsContact O-NH2 3.13Å
92	S	95.6	Very high	90.9	Very high	79 Å²	79	53.1 Å²	53.1	55%	0.552	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-92.1	-11.2	179.3	-55.7	0	0	0	0	113.4	T89 I90 R310	T89-S92 PolarHBondContact O-N 2.86Å; I90-S92 PolarHBondContact O-N 3.35Å; S92-R310 PolarHBondContact O-NH2 3.38Å
93	E	96.1	Very high	91.8	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	29%	0.286	S	S	.	.	S	Bend	trans	-69.9	162.4	-179.6	-62.6	-65.8	167.2	0	0	112	I90 Y97 L98 R310	I90-E93 WeakPolarHBondContact O-CB 3.49Å; I90-E93 PolarHBondContact O-N 2.97Å; I90-E93 VanDerWaalsContact O-N 3.13Å; E93-Y97 HydrophobicContact CB-CD1 3.66Å; E93-Y97 HydrophobicContact CB-CE1 4.3Å; E93-Y97 HydrophobicContact CB-CG 4.29Å; E93-Y97 HydrophobicContact CG-CD1 3.71Å; E93-Y97 HydrophobicContact CG-CE1 3.85Å; E93-Y97 HydrophobicContact CG-CG 4.45Å; E93-L98 HydrophobicContact CB-CD2 4.42Å; E93-R310 PolarHBondContact O-NH2 3.17Å
94	N	93	Very high	92.7	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	28%	0.275	S	S	.	.			trans	-77.4	163.2	174.4	61.6	39.3	0	0	0	111.6	S96 Y97 L98	N94-S96 VanDerWaalsContact C-N 3.34Å; N94-S96 PolarHBondContact O-N 3.29Å; N94-S96 PolarHBondContact OD1-OG 3.17Å; N94-Y97 PolarHBondContact O-N 3.32Å; N94-Y97 WeakPolarHBondContact OD1-CB 3.44Å; N94-Y97 PolarHBondContact OD1-N 3.15Å; N94-L98 PolarHBondContact O-N 3.46Å
95	L	96	Very high	93.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-42.5	-175.9	-179.7	58.9	0	0	0	112	Y97 L98 C99 L158 I161 V256 D314 C317	L95-Y97 VanDerWaalsContact C-N 3.33Å; L95-Y97 PolarHBondContact O-N 3.28Å; L95-L98 PolarHBondContact O-N 2.65Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L95-C99 PolarHBondContact O-N 2.94Å; L95-C99 PolarHBondContact O-SG 3.34Å; L95-L158 HydrophobicContact CD1-CD2 4.43Å; L95-L158 HydrophobicContact CD2-CD2 3.92Å; L95-I161 HydrophobicContact CD1-CB 4.23Å; L95-I161 HydrophobicContact CD1-CD1 3.9Å; L95-I161 HydrophobicContact CD1-CG1 3.76Å; L95-I161 HydrophobicContact CD1-CG2 3.53Å; L95-V256 HydrophobicContact CD2-CG1 3.99Å; L95-D314 HydrophobicContact CB-CB 4.18Å; L95-D314 WeakPolarHBondContact CB-OD1 3.24Å; L95-D314 HydrophobicContact CD2-CB 4.41Å; L95-D314 PolarHBondContact N-OD1 3.03Å; L95-D314 VanDerWaalsContact N-OD1 3.12Å; L95-C317 HydrophobicContact CD2-CB 3.57Å
96	S	94.5	Very high	94.2	Very high	70 Å²	70	62 Å²	62	49%	0.49	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-40.1	-177.2	59.9	0	0	0	0	112.6	N94 C99 E100	N94-S96 VanDerWaalsContact C-N 3.34Å; N94-S96 PolarHBondContact O-N 3.29Å; N94-S96 PolarHBondContact OD1-OG 3.17Å; S96-C99 PolarHBondContact O-N 3.42Å; S96-E100 WeakPolarHBondContact O-CB 3.08Å; S96-E100 PolarHBondContact O-N 3.48Å
97	Y	96	Very high	94.6	Very high	74 Å²	74	62.2 Å²	62.2	29%	0.29	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-47.6	173.9	174.2	-92.1	0	0	0	111.8	E93 N94 L95 C99 E100 Q101	E93-Y97 HydrophobicContact CB-CD1 3.66Å; E93-Y97 HydrophobicContact CB-CE1 4.3Å; E93-Y97 HydrophobicContact CB-CG 4.29Å; E93-Y97 HydrophobicContact CG-CD1 3.71Å; E93-Y97 HydrophobicContact CG-CE1 3.85Å; E93-Y97 HydrophobicContact CG-CG 4.45Å; N94-Y97 PolarHBondContact O-N 3.32Å; N94-Y97 WeakPolarHBondContact OD1-CB 3.44Å; N94-Y97 PolarHBondContact OD1-N 3.15Å; L95-Y97 VanDerWaalsContact C-N 3.33Å; L95-Y97 PolarHBondContact O-N 3.28Å; Y97-C99 PolarHBondContact O-N 3.09Å; Y97-E100 WeakPolarHBondContact O-CB 3.32Å; Y97-E100 PolarHBondContact O-N 3.27Å; Y97-Q101 HydrophobicContact CD1-CG 4.12Å; Y97-Q101 HydrophobicContact CE1-CG 3.64Å; Y97-Q101 HydrophobicContact CE2-CG 4.1Å; Y97-Q101 WeakPolarHBondContact O-CG 3.43Å; Y97-Q101 PolarHBondContact O-N 3.41Å
98	L	97.1	Very high	94.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-48.3	179.4	-63.5	175.5	0	0	0	110.8	I90 E93 N94 L95 E100 Q101 I102 F116 I161 P255	I90-L98 HydrophobicContact CB-CD2 4.04Å; I90-L98 HydrophobicContact CD1-CD2 4.41Å; E93-L98 HydrophobicContact CB-CD2 4.42Å; N94-L98 PolarHBondContact O-N 3.46Å; L95-L98 PolarHBondContact O-N 2.65Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 3.06Å; L98-Q101 PolarHBondContact O-N 3.06Å; L98-I102 WeakPolarHBondContact O-CG1 3.43Å; L98-I102 PolarHBondContact O-N 2.85Å; L98-I102 VanDerWaalsContact O-N 3.09Å; L98-F116 HydrophobicContact CD1-CE2 3.91Å; L98-F116 HydrophobicContact CD1-CZ 4.05Å; L98-I161 HydrophobicContact CB-CD1 3.88Å; L98-P255 HydrophobicContact CD1-CB 3.94Å; L98-P255 HydrophobicContact CD1-CG 4.49Å
99	C	95.5	Very high	95	Very high	10 Å²	10	58 Å²	58	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-43	176	-62.4	0	0	0	0	111.8	L95 S96 Y97 I102 K103 E157	L95-C99 PolarHBondContact O-N 2.94Å; L95-C99 PolarHBondContact O-SG 3.34Å; S96-C99 PolarHBondContact O-N 3.42Å; Y97-C99 PolarHBondContact O-N 3.09Å; C99-I102 PolarHBondContact O-N 2.95Å; C99-K103 WeakPolarHBondContact O-CB 3.49Å; C99-K103 WeakPolarHBondContact O-CG 3.44Å; C99-K103 PolarHBondContact O-N 3.12Å; C99-E157 PolarHBondContact SG-O 3.26Å
100	E	95.4	Very high	95.1	Very high	82 Å²	82	54.5 Å²	54.5	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-42.5	179	-170.1	-172.8	178.3	0	0	111.9	S96 Y97 L98 I102 K103 K104	S96-E100 WeakPolarHBondContact O-CB 3.08Å; S96-E100 PolarHBondContact O-N 3.48Å; Y97-E100 WeakPolarHBondContact O-CB 3.32Å; Y97-E100 PolarHBondContact O-N 3.27Å; L98-E100 VanDerWaalsContact C-N 3.29Å; L98-E100 PolarHBondContact O-N 3.06Å; E100-I102 VanDerWaalsContact C-N 3.33Å; E100-I102 PolarHBondContact O-N 2.83Å; E100-K103 PolarHBondContact O-N 2.82Å; E100-K104 HydrophobicContact CG-CD 4.02Å; E100-K104 HydrophobicContact CG-CG 4.48Å; E100-K104 WeakPolarHBondContact O-CB 3.37Å; E100-K104 WeakPolarHBondContact O-CG 3.38Å; E100-K104 PolarHBondContact O-N 2.79Å; E100-K104 WeakPolarHBondContact OE1-CE 3.48Å; E100-K104 IonicContact OE1-NZ 2.56Å; E100-K104 PolarHBondContact OE1-NZ 3.27Å
101	Q	96.2	Very high	95.2	Very high	12 Å²	12	56 Å²	56	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-37.4	178.1	-62	-35.1	-65.4	0	0	112.1	Y97 L98 K105 R106 M107	Y97-Q101 HydrophobicContact CD1-CG 4.12Å; Y97-Q101 HydrophobicContact CE1-CG 3.64Å; Y97-Q101 HydrophobicContact CE2-CG 4.1Å; Y97-Q101 WeakPolarHBondContact O-CG 3.43Å; Y97-Q101 PolarHBondContact O-N 3.41Å; L98-Q101 PolarHBondContact O-N 3.06Å; Q101-K105 PolarHBondContact O-N 2.71Å; Q101-R106 PolarHBondContact O-N 3.2Å; Q101-M107 HydrophobicContact CB-CB 4.35Å; Q101-M107 HydrophobicContact CB-CE 4.2Å; Q101-M107 HydrophobicContact CB-CG 4.02Å; Q101-M107 HydrophobicContact CB-SD 3.79Å; Q101-M107 HydrophobicContact CG-CE 3.95Å; Q101-M107 HydrophobicContact CG-SD 4.14Å; Q101-M107 PolarHBondContact O-N 3.25Å
102	I	94.9	Very high	95.2	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-49.7	173.5	-65.6	170.9	0	0	0	110.5	L98 C99 E100 K104 K105 M107 P109 V112 Y159 G160 I161	L98-I102 WeakPolarHBondContact O-CG1 3.43Å; L98-I102 PolarHBondContact O-N 2.85Å; L98-I102 VanDerWaalsContact O-N 3.09Å; C99-I102 PolarHBondContact O-N 2.95Å; E100-I102 VanDerWaalsContact C-N 3.33Å; E100-I102 PolarHBondContact O-N 2.83Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 3.18Å; I102-K105 WeakPolarHBondContact O-CA 3.32Å; I102-K105 PolarHBondContact O-N 3.01Å; I102-M107 WeakPolarHBondContact CA-O 3.34Å; I102-P109 HydrophobicContact CG2-CG 4.25Å; I102-V112 HydrophobicContact CD1-CB 4.5Å; I102-V112 HydrophobicContact CD1-CG2 3.99Å; I102-V112 HydrophobicContact CG1-CG2 4.04Å; I102-Y159 HydrophobicContact CG2-CD1 3.91Å; I102-Y159 HydrophobicContact CG2-CE1 4.01Å; I102-G160 WeakPolarHBondContact CD1-O 3.25Å; I102-I161 HydrophobicContact CD1-CD1 3.93Å
103	K	92.4	Very high	95.3	Very high	108 Å²	108	52 Å²	52	47%	0.47	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-37.9	178.5	-75.7	179.5	178	-175.6	0	111.8	C99 E100 K105 D155	C99-K103 WeakPolarHBondContact O-CB 3.49Å; C99-K103 WeakPolarHBondContact O-CG 3.44Å; C99-K103 PolarHBondContact O-N 3.12Å; E100-K103 PolarHBondContact O-N 2.82Å; K103-K105 PolarHBondContact O-N 2.57Å; K103-D155 PolarHBondContact NZ-O 2.82Å
104	K	94.3	Very high	95.3	Very high	104 Å²	104	49 Å²	49	45%	0.452	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.4	175.3	-70.3	-179.1	176.1	178.3	0	114.1	E100 I102 R106	E100-K104 HydrophobicContact CG-CD 4.02Å; E100-K104 HydrophobicContact CG-CG 4.48Å; E100-K104 WeakPolarHBondContact O-CB 3.37Å; E100-K104 WeakPolarHBondContact O-CG 3.38Å; E100-K104 PolarHBondContact O-N 2.79Å; E100-K104 WeakPolarHBondContact OE1-CE 3.48Å; E100-K104 IonicContact OE1-NZ 2.56Å; E100-K104 PolarHBondContact OE1-NZ 3.27Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 3.18Å; K104-R106 HydrophobicContact CB-CG 4.18Å; K104-R106 PolarHBondContact O-N 3.35Å; K104-R106 VanDerWaalsContact O-N 3.16Å
105	K	92.5	Very high	95.5	Very high	190 Å²	190	45.9 Å²	45.9	83%	0.826	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	27.1	-177.6	-55.4	-178.6	179.8	179.2	0	113.9	Q101 I102 K103	Q101-K105 PolarHBondContact O-N 2.71Å; I102-K105 WeakPolarHBondContact O-CA 3.32Å; I102-K105 PolarHBondContact O-N 3.01Å; K103-K105 PolarHBondContact O-N 2.57Å
106	R	94.9	Very high	95.6	Very high	163 Å²	163	45.8 Å²	45.8	62%	0.615	21%	0.214	S	C	*	.	S	Bend	trans	-83.7	-23.1	173.6	-68.7	171.1	-179.5	169.5	-3.6	111.6	Q101 K104	Q101-R106 PolarHBondContact O-N 3.2Å; K104-R106 HydrophobicContact CB-CG 4.18Å; K104-R106 PolarHBondContact O-N 3.35Å; K104-R106 VanDerWaalsContact O-N 3.16Å
107	M	95	Very high	95.7	Very high	20 Å²	20	42.6 Å²	42.6	10%	0.099	19%	0.191	C	C	.	.	S	Bend	trans	-134.8	151.1	171	-59	175.9	-171.6	0	0	107.8	V86 I90 Q101 I102 V112	V86-M107 HydrophobicContact CG1-CG 3.95Å; V86-M107 HydrophobicContact CG1-SD 4.37Å; I90-M107 HydrophobicContact CD1-SD 4.32Å; I90-M107 HydrophobicContact CG2-CE 3.73Å; I90-M107 HydrophobicContact CG2-SD 4.24Å; Q101-M107 HydrophobicContact CB-CB 4.35Å; Q101-M107 HydrophobicContact CB-CE 4.2Å; Q101-M107 HydrophobicContact CB-CG 4.02Å; Q101-M107 HydrophobicContact CB-SD 3.79Å; Q101-M107 HydrophobicContact CG-CE 3.95Å; Q101-M107 HydrophobicContact CG-SD 4.14Å; Q101-M107 PolarHBondContact O-N 3.25Å; I102-M107 WeakPolarHBondContact CA-O 3.34Å; M107-V112 HydrophobicContact CB-CG2 4.13Å; M107-V112 HydrophobicContact SD-CG2 4.32Å
108	T	95.1	Very high	95.7	Very high	47 Å²	47	40.6 Å²	40.6	29%	0.288	18%	0.184	S	C	.	.			trans	-96.7	160.1	169.9	69	0	0	0	0	110.6	V110 D111 V112 M146	T108-V110 PolarHBondContact O-N 2.71Å; T108-V110 PolarHBondContact OG1-N 3.09Å; T108-D111 WeakPolarHBondContact CB-OD2 3.4Å; T108-D111 WeakPolarHBondContact CG2-OD2 3.4Å; T108-D111 PolarHBondContact N-OD2 2.85Å; T108-D111 PolarHBondContact O-N 2.97Å; T108-D111 VanDerWaalsContact O-N 3.11Å; T108-D111 PolarHBondContact OG1-N 3.45Å; T108-D111 VanDerWaalsContact OG1-N 3.13Å; T108-D111 PolarHBondContact OG1-OD2 3.11Å; T108-V112 PolarHBondContact O-N 3.28Å; T108-V112 VanDerWaalsContact O-N 3.17Å; T108-M146 HydrophobicContact CG2-SD 3.88Å
109	P	95.6	Very high	95.7	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.032	20%	0.198	C	C	.	.	H	α-helix	trans	-52.9	-33.8	169.9	-29.7	37.5	0	0	0	113.7	I102 L113 A142 L145 Y159 I204	I102-P109 HydrophobicContact CG2-CG 4.25Å; P109-L113 VanDerWaalsContact O-CB 3.29Å; P109-L113 WeakPolarHBondContact O-CB 3.25Å; P109-L113 PolarHBondContact O-N 3.11Å; P109-A142 HydrophobicContact CB-CB 4.28Å; P109-L145 HydrophobicContact CB-CD1 4.1Å; P109-L145 HydrophobicContact CG-CD1 4.25Å; P109-Y159 HydrophobicContact CG-CE1 4.37Å; P109-I204 HydrophobicContact CB-CD1 4.07Å
110	V	96	Very high	95.8	Very high	22 Å²	22	43.8 Å²	43.8	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-68.8	-43.6	177.8	175	0	0	0	0	110.8	T108 V112 L113 H114 A142 A143 M146	T108-V110 PolarHBondContact O-N 2.71Å; T108-V110 PolarHBondContact OG1-N 3.09Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 3.37Å; V110-L113 PolarHBondContact O-N 2.97Å; V110-H114 WeakPolarHBondContact CG1-CE1 3.41Å; V110-H114 WeakPolarHBondContact O-CB 3.49Å; V110-H114 VanDerWaalsContact O-CG 3.31Å; V110-H114 PolarHBondContact O-N 3.23Å; V110-A142 HydrophobicContact CG2-CB 3.74Å; V110-A143 HydrophobicContact CG2-CB 4.24Å; V110-M146 HydrophobicContact CB-CE 4.45Å; V110-M146 HydrophobicContact CG2-CE 3.68Å
111	D	95.4	Very high	95.8	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-45.3	177.8	-58.7	-44.5	0	0	0	111.7	S85 V86 T108 H114 A115	S85-D111 WeakPolarHBondContact CB-OD1 3.33Å; S85-D111 WeakPolarHBondContact OG-CB 3.5Å; S85-D111 VanDerWaalsContact OG-CG 3.25Å; S85-D111 PolarHBondContact OG-OD1 3.47Å; V86-D111 HydrophobicContact CG1-CB 3.77Å; V86-D111 HydrophobicContact CG2-CB 4.16Å; V86-D111 WeakPolarHBondContact CG2-O 3.41Å; T108-D111 WeakPolarHBondContact CB-OD2 3.4Å; T108-D111 WeakPolarHBondContact CG2-OD2 3.4Å; T108-D111 PolarHBondContact N-OD2 2.85Å; T108-D111 PolarHBondContact O-N 2.97Å; T108-D111 VanDerWaalsContact O-N 3.11Å; T108-D111 PolarHBondContact OG1-N 3.45Å; T108-D111 VanDerWaalsContact OG1-N 3.13Å; T108-D111 PolarHBondContact OG1-OD2 3.11Å; D111-H114 PolarHBondContact O-N 3.41Å; D111-A115 PolarHBondContact O-N 3.41Å; D111-A115 VanDerWaalsContact O-N 3.13Å
112	V	96.9	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-44.2	178.3	179.7	0	0	0	0	110.5	I90 I102 M107 T108 V110 H114 A115 F116 P162	I90-V112 HydrophobicContact CD1-CG2 4.34Å; I102-V112 HydrophobicContact CD1-CB 4.5Å; I102-V112 HydrophobicContact CD1-CG2 3.99Å; I102-V112 HydrophobicContact CG1-CG2 4.04Å; M107-V112 HydrophobicContact CB-CG2 4.13Å; M107-V112 HydrophobicContact SD-CG2 4.32Å; T108-V112 PolarHBondContact O-N 3.28Å; T108-V112 VanDerWaalsContact O-N 3.17Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 3.37Å; V112-H114 PolarHBondContact O-N 3.27Å; V112-A115 PolarHBondContact O-N 2.78Å; V112-F116 HydrophobicContact CG1-CD2 4.02Å; V112-F116 HydrophobicContact CG1-CE2 3.97Å; V112-F116 WeakPolarHBondContact O-CD2 3.31Å; V112-F116 PolarHBondContact O-N 3.3Å; V112-P162 HydrophobicContact CG1-CG 4.15Å
113	L	97.7	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.6	-50.3	174.8	174.8	67.2	0	0	0	112.2	P109 V110 A115 F116 Q117 A138 E139 A142 P162 I204 F206	P109-L113 VanDerWaalsContact O-CB 3.29Å; P109-L113 WeakPolarHBondContact O-CB 3.25Å; P109-L113 PolarHBondContact O-N 3.11Å; V110-L113 PolarHBondContact O-N 2.97Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-A115 PolarHBondContact O-N 3.42Å; L113-F116 PolarHBondContact O-N 3.31Å; L113-Q117 HydrophobicContact CD1-CG 4Å; L113-Q117 HydrophobicContact CG-CG 4.23Å; L113-Q117 WeakPolarHBondContact O-CG 3.48Å; L113-Q117 PolarHBondContact O-N 3.11Å; L113-A138 HydrophobicContact CD1-CB 4.18Å; L113-A138 VanDerWaalsContact CD2-C 3.49Å; L113-A138 HydrophobicContact CD2-CB 4.1Å; L113-A138 WeakPolarHBondContact CD2-O 3.37Å; L113-E139 VanDerWaalsContact CD2-CA 3.49Å; L113-E139 HydrophobicContact CD2-CB 4.16Å; L113-A142 HydrophobicContact CD2-CB 3.85Å; L113-P162 HydrophobicContact CB-CG 4.11Å; L113-P162 HydrophobicContact CD1-CB 4.16Å; L113-P162 HydrophobicContact CD1-CG 4.09Å; L113-I204 HydrophobicContact CD1-CG2 4.15Å; L113-I204 HydrophobicContact CD2-CG2 4.41Å; L113-F206 HydrophobicContact CD1-CB 3.49Å; L113-F206 VanDerWaalsContact CD1-CB 3.49Å; L113-F206 HydrophobicContact CD1-CD2 4.43Å; L113-F206 HydrophobicContact CD1-CG 4.12Å
114	H	97.1	Very high	95.8	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-42.8	-178.3	-71	161.7	0	0	0	111.3	L81 V110 D111 V112 F116 Q117 F118 E139	L81-H114 HydrophobicContact CD1-CB 4.31Å; L81-H114 WeakPolarHBondContact CD1-CE1 3.38Å; L81-H114 WeakPolarHBondContact CD1-ND1 3.32Å; V110-H114 WeakPolarHBondContact CG1-CE1 3.41Å; V110-H114 WeakPolarHBondContact O-CB 3.49Å; V110-H114 VanDerWaalsContact O-CG 3.31Å; V110-H114 PolarHBondContact O-N 3.23Å; D111-H114 PolarHBondContact O-N 3.41Å; V112-H114 PolarHBondContact O-N 3.27Å; H114-F116 VanDerWaalsContact C-N 3.34Å; H114-F116 PolarHBondContact O-N 3.09Å; H114-Q117 PolarHBondContact CD2-OE1 3.25Å; H114-Q117 PolarHBondContact O-N 3.03Å; H114-F118 HydrophobicContact CB-CD2 4.5Å; H114-F118 WeakPolarHBondContact O-CD2 3.4Å; H114-F118 PolarHBondContact O-N 3Å; H114-E139 IonicContact CD2-OE2 3.83Å; H114-E139 IonicContact CE1-OE2 3.74Å; H114-E139 IonicContact NE2-OE2 2.83Å; H114-E139 PolarHBondContact NE2-OE2 3.44Å
115	A	96.6	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-46.4	176.2	0	0	0	0	0	112.4	V86 M88 I90 D111 V112 L113 F118 R119	V86-A115 HydrophobicContact CG2-CB 4.02Å; M88-A115 WeakPolarHBondContact CE-O 3.15Å; M88-A115 HydrophobicContact SD-CB 4.44Å; I90-A115 HydrophobicContact CD1-CB 3.62Å; I90-A115 HydrophobicContact CG1-CB 3.81Å; D111-A115 PolarHBondContact O-N 3.41Å; D111-A115 VanDerWaalsContact O-N 3.13Å; V112-A115 PolarHBondContact O-N 2.78Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-A115 PolarHBondContact O-N 3.42Å; A115-F118 PolarHBondContact O-N 3.36Å; A115-R119 PolarHBondContact O-N 2.93Å
116	F	97.9	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-33.8	177.1	-78.2	-73.6	0	0	0	113.1	C91 L98 V112 L113 H114 R119 A120 P162 F206 P255	C91-F116 HydrophobicContact CB-CD1 4.28Å; C91-F116 HydrophobicContact CB-CE1 3.86Å; C91-F116 HydrophobicContact CB-CZ 4.29Å; L98-F116 HydrophobicContact CD1-CE2 3.91Å; L98-F116 HydrophobicContact CD1-CZ 4.05Å; V112-F116 HydrophobicContact CG1-CD2 4.02Å; V112-F116 HydrophobicContact CG1-CE2 3.97Å; V112-F116 WeakPolarHBondContact O-CD2 3.31Å; V112-F116 PolarHBondContact O-N 3.3Å; L113-F116 PolarHBondContact O-N 3.31Å; H114-F116 VanDerWaalsContact C-N 3.34Å; H114-F116 PolarHBondContact O-N 3.09Å; F116-R119 PolarHBondContact O-N 3.41Å; F116-A120 WeakPolarHBondContact O-CB 3.31Å; F116-A120 PolarHBondContact O-N 3.44Å; F116-P162 HydrophobicContact CB-CB 4.43Å; F116-P162 HydrophobicContact CB-CG 4.48Å; F116-P162 HydrophobicContact CD2-CB 4.47Å; F116-P162 HydrophobicContact CD2-CG 4.03Å; F116-F206 HydrophobicContact CB-CE2 4.19Å; F116-F206 HydrophobicContact CB-CZ 4.28Å; F116-P255 HydrophobicContact CE1-CB 4.33Å; F116-P255 VanDerWaalsContact CE1-CD 3.49Å; F116-P255 HydrophobicContact CE1-CG 4.31Å; F116-P255 HydrophobicContact CE2-CB 4.28Å; F116-P255 HydrophobicContact CE2-CG 3.97Å; F116-P255 HydrophobicContact CZ-CB 3.76Å; F116-P255 HydrophobicContact CZ-CG 3.84Å
117	Q	97.6	Very high	95.5	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-42.2	173.3	-74.9	176.5	-30	0	0	112.1	M74 L78 L113 H114 A120 L121 F206	M74-Q117 HydrophobicContact CE-CG 4.4Å; M74-Q117 VanDerWaalsContact CE-NE2 3.34Å; M74-Q117 HydrophobicContact SD-CB 4.18Å; M74-Q117 HydrophobicContact SD-CG 4.21Å; L78-Q117 HydrophobicContact CD1-CB 4.07Å; L78-Q117 HydrophobicContact CD2-CB 4.06Å; L113-Q117 HydrophobicContact CD1-CG 4Å; L113-Q117 HydrophobicContact CG-CG 4.23Å; L113-Q117 WeakPolarHBondContact O-CG 3.48Å; L113-Q117 PolarHBondContact O-N 3.11Å; H114-Q117 PolarHBondContact CD2-OE1 3.25Å; H114-Q117 PolarHBondContact O-N 3.03Å; Q117-A120 PolarHBondContact O-N 3.01Å; Q117-L121 WeakPolarHBondContact O-CB 3.37Å; Q117-L121 PolarHBondContact O-N 3.16Å; Q117-F206 HydrophobicContact CG-CD2 4.06Å
118	F	95.9	Very high	95.3	Very high	32 Å²	32	31.1 Å²	31.1	14%	0.14	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-45.6	172.4	-86.8	-72.1	0	0	0	111.2	L78 L81 P84 M88 H114 A115 L121 Q122	L78-F118 HydrophobicContact CB-CD1 4.31Å; L78-F118 HydrophobicContact CB-CE1 3.76Å; L78-F118 HydrophobicContact CB-CE2 4.3Å; L78-F118 HydrophobicContact CB-CZ 3.75Å; L78-F118 HydrophobicContact CD1-CD1 4.02Å; L78-F118 HydrophobicContact CD1-CD2 4.44Å; L78-F118 HydrophobicContact CD1-CE1 4.31Å; L78-F118 HydrophobicContact CD1-CG 4.09Å; L78-F118 HydrophobicContact CD2-CD2 4.04Å; L78-F118 HydrophobicContact CD2-CE2 3.88Å; L78-F118 HydrophobicContact CD2-CZ 4.22Å; L78-F118 HydrophobicContact CG-CE1 4.47Å; L78-F118 HydrophobicContact CG-CZ 4.42Å; L78-F118 WeakPolarHBondContact O-CZ 3.39Å; L81-F118 HydrophobicContact CD1-CE2 4.27Å; P84-F118 HydrophobicContact CB-CD2 4.13Å; P84-F118 HydrophobicContact CB-CE2 4.32Å; P84-F118 HydrophobicContact CG-CB 4.4Å; P84-F118 HydrophobicContact CG-CD2 3.56Å; P84-F118 HydrophobicContact CG-CE2 3.87Å; P84-F118 HydrophobicContact CG-CG 3.95Å; P84-F118 HydrophobicContact CG-CZ 4.49Å; M88-F118 HydrophobicContact CE-CB 3.98Å; M88-F118 HydrophobicContact SD-CB 3.97Å; H114-F118 HydrophobicContact CB-CD2 4.5Å; H114-F118 WeakPolarHBondContact O-CD2 3.4Å; H114-F118 PolarHBondContact O-N 3Å; A115-F118 PolarHBondContact O-N 3.36Å; F118-L121 PolarHBondContact O-N 2.62Å; F118-Q122 WeakPolarHBondContact O-CG 3.21Å; F118-Q122 PolarHBondContact O-N 3.3Å
119	R	96.3	Very high	95.2	Very high	77 Å²	77	28.9 Å²	28.9	29%	0.291	14%	0.144	S	C	.	.	H	α-helix	trans	-63	-47.1	177.9	-179.4	57.2	177.5	-179.5	-1.1	111.4	M88 C91 A115 F116 L121 Q122 L123 Q251 C252	M88-R119 HydrophobicContact CE-CB 3.73Å; C91-R119 HydrophobicContact CB-CG 4.49Å; A115-R119 PolarHBondContact O-N 2.93Å; F116-R119 PolarHBondContact O-N 3.41Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 3.29Å; R119-Q122 WeakPolarHBondContact O-CB 3.5Å; R119-Q122 PolarHBondContact O-N 3.29Å; R119-L123 HydrophobicContact CG-CD1 4.4Å; R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 2.89Å; R119-Q251 PolarHBondContact NE-O 3.39Å; R119-Q251 PolarHBondContact NH2-O 3.23Å; R119-C252 WeakPolarHBondContact CG-O 3.19Å
120	A	97.2	Very high	95.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-42.3	177.1	0	0	0	0	0	111.9	F116 Q117 L123 Q124 I131 F134 F206	F116-A120 WeakPolarHBondContact O-CB 3.31Å; F116-A120 PolarHBondContact O-N 3.44Å; Q117-A120 PolarHBondContact O-N 3.01Å; A120-L123 PolarHBondContact O-N 3.15Å; A120-Q124 WeakPolarHBondContact O-CB 3.28Å; A120-Q124 PolarHBondContact O-N 3.42Å; A120-I131 HydrophobicContact CB-CD1 3.59Å; A120-F134 HydrophobicContact CB-CE1 3.69Å; A120-F134 HydrophobicContact CB-CZ 3.82Å; A120-F206 HydrophobicContact CB-CE2 4.19Å
121	L	95.2	Very high	95.3	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-40	177.5	-171.8	63.4	0	0	0	112.1	R75 L78 Q117 F118 R119 L123 Q124 D125 F134	R75-L121 HydrophobicContact CB-CD2 4Å; R75-L121 HydrophobicContact CG-CD2 4.11Å; L78-L121 HydrophobicContact CD1-CB 4.39Å; L78-L121 HydrophobicContact CD1-CD2 3.95Å; Q117-L121 WeakPolarHBondContact O-CB 3.37Å; Q117-L121 PolarHBondContact O-N 3.16Å; F118-L121 PolarHBondContact O-N 2.62Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 3.29Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 2.91Å; L121-Q124 WeakPolarHBondContact O-CB 3.43Å; L121-Q124 PolarHBondContact O-N 3.48Å; L121-Q124 VanDerWaalsContact O-N 3.15Å; L121-D125 PolarHBondContact O-N 2.97Å; L121-F134 HydrophobicContact CB-CZ 4.25Å; L121-F134 HydrophobicContact CD1-CE2 4.29Å
122	Q	94.6	Very high	95.4	Very high	90 Å²	90	26.2 Å²	26.2	42%	0.421	13%	0.13	S	C	.	.	H	α-helix	trans	-59.3	-41.6	172.6	-72.4	171.9	-12.5	0	0	112	F118 R119 Q124 D125 N126	F118-Q122 WeakPolarHBondContact O-CG 3.21Å; F118-Q122 PolarHBondContact O-N 3.3Å; R119-Q122 WeakPolarHBondContact O-CB 3.5Å; R119-Q122 PolarHBondContact O-N 3.29Å; Q122-Q124 VanDerWaalsContact C-N 3.33Å; Q122-D125 PolarHBondContact O-N 3.44Å; Q122-N126 PolarHBondContact O-N 3.04Å; Q122-N126 PolarHBondContact O-ND2 3.37Å
123	L	96.3	Very high	95.4	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-68.3	-35.1	176.4	-64.2	175.7	0	0	0	111.8	R119 A120 L121 N126 N127 N128 L248 Q251	R119-L123 HydrophobicContact CG-CD1 4.4Å; R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 2.89Å; A120-L123 PolarHBondContact O-N 3.15Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 2.91Å; L123-N126 PolarHBondContact O-N 3.38Å; L123-N127 PolarHBondContact O-N 3.38Å; L123-N128 PolarHBondContact O-N 3Å; L123-L248 HydrophobicContact CD1-CD1 4.06Å; L123-Q251 HydrophobicContact CD1-CB 3.74Å; L123-Q251 HydrophobicContact CD2-CB 3.86Å; L123-Q251 HydrophobicContact CD2-CG 4.43Å; L123-Q251 HydrophobicContact CG-CB 4.48Å
124	Q	94.4	Very high	95.4	Very high	24 Å²	24	26.8 Å²	26.8	11%	0.112	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-43.2	175.1	-177.3	64.4	16.9	0	0	111.1	M71 A120 L121 Q122 N126 N127 S129	M71-Q124 HydrophobicContact CG-CG 4.45Å; M71-Q124 HydrophobicContact SD-CG 3.83Å; A120-Q124 WeakPolarHBondContact O-CB 3.28Å; A120-Q124 PolarHBondContact O-N 3.42Å; L121-Q124 WeakPolarHBondContact O-CB 3.43Å; L121-Q124 PolarHBondContact O-N 3.48Å; L121-Q124 VanDerWaalsContact O-N 3.15Å; Q122-Q124 VanDerWaalsContact C-N 3.33Å; Q124-N126 PolarHBondContact O-N 3.43Å; Q124-N127 WeakPolarHBondContact O-CA 3.43Å; Q124-N127 PolarHBondContact O-N 2.88Å; Q124-S129 PolarHBondContact OE1-OG 3.16Å
125	D	93.6	Very high	95.5	Very high	77 Å²	77	26.6 Å²	26.6	41%	0.412	13%	0.132	S	C	.	.	H	α-helix	trans	-64.2	-27.5	177.6	-69.4	-11.8	0	0	0	112.2	R75 L121 Q122 N127	R75-D125 IonicContact CZ-OD1 2.73Å; R75-D125 IonicContact CZ-OD2 3.84Å; R75-D125 IonicContact NH1-OD1 3.57Å; R75-D125 IonicContact NH1-OD2 3.89Å; R75-D125 PolarHBondContact NH1-OD2 3.05Å; R75-D125 IonicContact NH2-OD1 2.71Å; R75-D125 PolarHBondContact NH2-OD1 3.44Å; R75-D125 IonicContact NH2-OD2 3.58Å; R75-D125 PolarHBondContact NH2-OD2 3.19Å; L121-D125 PolarHBondContact O-N 2.97Å; Q122-D125 PolarHBondContact O-N 3.44Å; D125-N127 VanDerWaalsContact C-N 3.25Å; D125-N127 PolarHBondContact O-N 3.31Å
126	N	92	Very high	95.5	Very high	111 Å²	111	30 Å²	30	59%	0.594	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	3.2	173.3	-66.8	-21.4	0	0	0	113.9	Q122 L123 Q124 N128	Q122-N126 PolarHBondContact O-N 3.04Å; Q122-N126 PolarHBondContact O-ND2 3.37Å; L123-N126 PolarHBondContact O-N 3.38Å; Q124-N126 PolarHBondContact O-N 3.43Å; N126-N128 PolarHBondContact O-N 3.38Å; N126-N128 VanDerWaalsContact O-N 3.12Å
127	N	89.4	Confident	95.4	Very high	102 Å²	102	32.8 Å²	32.8	55%	0.545	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	18.9	180	-66.9	-51.7	0	0	0	115.8	L123 Q124 D125 N226	L123-N127 PolarHBondContact O-N 3.38Å; Q124-N127 WeakPolarHBondContact O-CA 3.43Å; Q124-N127 PolarHBondContact O-N 2.88Å; D125-N127 VanDerWaalsContact C-N 3.25Å; D125-N127 PolarHBondContact O-N 3.31Å; N127-N226 PolarHBondContact OD1-ND2 3.19Å
128	N	91.2	Very high	95.5	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	16%	0.162	C	C	.	.			trans	-137.7	55.2	174.8	-170.2	34	0	0	0	111.4	L123 N126 E229 V247 Q251	L123-N128 PolarHBondContact O-N 3Å; N126-N128 PolarHBondContact O-N 3.38Å; N126-N128 VanDerWaalsContact O-N 3.12Å; N128-E229 PolarHBondContact ND2-O 3.02Å; N128-E229 WeakPolarHBondContact OD1-CA 3.32Å; N128-E229 WeakPolarHBondContact OD1-CB 3.32Å; N128-E229 PolarHBondContact OD1-N 2.9Å; N128-E229 PolarHBondContact OD1-O 3.44Å; N128-V247 WeakPolarHBondContact O-CG1 3.27Å; N128-Q251 PolarHBondContact O-NE2 2.96Å
129	S	91.1	Very high	95.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	17%	0.172	C	C	.	.			trans	-87.1	-26.9	-178	61.1	0	0	0	0	114	Q124 I131 L248	Q124-S129 PolarHBondContact OE1-OG 3.16Å; S129-I131 PolarHBondContact O-N 3.34Å; S129-I131 WeakPolarHBondContact OG-CB 3.17Å; S129-I131 PolarHBondContact OG-N 3.23Å; S129-L248 WeakPolarHBondContact O-CB 3.21Å; S129-L248 WeakPolarHBondContact O-CD1 3.47Å
130	G	96.5	Very high	95.4	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	19%	0.186	C	C	.	.			trans	70.6	4.6	-164.5	0	0	0	0	0	114	T209 V210 G244	G130-T209 CarbonylContact O-C 3.53Å; G130-T209 VanDerWaalsContact O-CA 3.22Å; G130-T209 WeakPolarHBondContact O-CA 3.3Å; G130-T209 WeakPolarHBondContact O-CB 3.26Å; G130-V210 PolarHBondContact O-N 3.28Å; G130-G244 VanDerWaalsContact O-CA 3.31Å; G130-G244 WeakPolarHBondContact O-CA 3.29Å
131	I	97.7	Very high	95.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.5	-176.4	-62.4	169.1	0	0	0	110.5	M71 A120 S129 F134 V207 L248	M71-I131 HydrophobicContact CE-CG2 4.21Å; A120-I131 HydrophobicContact CB-CD1 3.59Å; S129-I131 PolarHBondContact O-N 3.34Å; S129-I131 WeakPolarHBondContact OG-CB 3.17Å; S129-I131 PolarHBondContact OG-N 3.23Å; I131-F134 HydrophobicContact CD1-CZ 4.26Å; I131-V207 HydrophobicContact CD1-CG1 4.35Å; I131-V207 HydrophobicContact CG2-CB 4.36Å; I131-V207 HydrophobicContact CG2-CG1 4.28Å; I131-L248 HydrophobicContact CD1-CD1 3.97Å; I131-L248 HydrophobicContact CG1-CD1 3.92Å; I131-L248 HydrophobicContact CG1-CD2 4.39Å
132	A	97.2	Very high	95.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-58.5	167.1	0	0	0	0	0	110.8	M71 T208 V210 Y225	M71-A132 WeakPolarHBondContact CE-O 3.26Å; A132-T208 PolarHBondContact N-O 3.36Å; A132-V210 HydrophobicContact CB-CG1 4.12Å; A132-Y225 HydrophobicContact CB-CD1 4.19Å; A132-Y225 HydrophobicContact CB-CD2 3.8Å; A132-Y225 HydrophobicContact CB-CE1 3.95Å; A132-Y225 HydrophobicContact CB-CE2 3.57Å; A132-Y225 HydrophobicContact CB-CG 4.13Å; A132-Y225 WeakPolarHBondContact O-CD1 3.47Å; A132-Y225 WeakPolarHBondContact O-CE1 3.34Å
133	L	97.6	Very high	95.2	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.063	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.4	179.3	-67.7	172.9	0	0	0	111.5	V67 N70 Y174 V207 T208 Y225	V67-L133 HydrophobicContact CB-CD2 4.41Å; V67-L133 HydrophobicContact CG2-CD2 4Å; N70-L133 HydrophobicContact CB-CD2 3.82Å; L133-Y174 HydrophobicContact CB-CD1 4.41Å; L133-Y174 HydrophobicContact CD1-CD1 3.96Å; L133-V207 CarbonylContact O-C 3.54Å; L133-V207 VanDerWaalsContact O-CA 3.28Å; L133-V207 WeakPolarHBondContact O-CA 3.44Å; L133-T208 PolarHBondContact N-O 3.35Å; L133-T208 PolarHBondContact N-OG1 2.87Å; L133-T208 PolarHBondContact O-N 3.16Å; L133-Y225 HydrophobicContact CG-CE1 4.34Å
134	F	98.4	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.7	161.1	-73.8	-83.4	0	0	0	110.9	N70 M71 M74 A120 L121 I131 L136 Y174 V207	N70-F134 PolarHBondContact ND2-O 2.66Å; N70-F134 PolarHBondContact OD1-N 3.48Å; M71-F134 HydrophobicContact CE-CD2 4.32Å; M71-F134 HydrophobicContact SD-CD2 3.53Å; M71-F134 VanDerWaalsContact SD-CD2 3.53Å; M71-F134 HydrophobicContact SD-CE2 3.5Å; M71-F134 VanDerWaalsContact SD-CE2 3.5Å; M74-F134 HydrophobicContact CB-CB 4.34Å; M74-F134 HydrophobicContact CB-CD2 3.86Å; M74-F134 HydrophobicContact CB-CE2 4.28Å; M74-F134 HydrophobicContact CB-CG 3.99Å; M74-F134 HydrophobicContact CE-CB 3.77Å; M74-F134 HydrophobicContact CE-CD1 3.76Å; M74-F134 HydrophobicContact CE-CG 3.9Å; M74-F134 HydrophobicContact CG-CB 4.42Å; M74-F134 HydrophobicContact CG-CD1 3.76Å; M74-F134 HydrophobicContact CG-CD2 3.84Å; M74-F134 HydrophobicContact CG-CE1 3.88Å; M74-F134 HydrophobicContact CG-CE2 3.96Å; M74-F134 HydrophobicContact CG-CG 3.74Å; M74-F134 HydrophobicContact CG-CZ 3.98Å; M74-F134 HydrophobicContact SD-CD1 4.24Å; A120-F134 HydrophobicContact CB-CE1 3.69Å; A120-F134 HydrophobicContact CB-CZ 3.82Å; L121-F134 HydrophobicContact CB-CZ 4.25Å; L121-F134 HydrophobicContact CD1-CE2 4.29Å; I131-F134 HydrophobicContact CD1-CZ 4.26Å; F134-L136 HydrophobicContact CB-CD2 4.33Å; F134-L136 PolarHBondContact O-N 2.91Å; F134-Y174 WeakPolarHBondContact O-CE1 3.25Å; F134-V207 HydrophobicContact CD1-CG1 3.46Å; F134-V207 VanDerWaalsContact CD1-CG1 3.46Å; F134-V207 HydrophobicContact CE1-CG1 3.71Å; F134-V207 HydrophobicContact CG-CG1 4.15Å
135	I	98.2	Very high	94.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.196	C	C	.	.			trans	-87.4	101.8	171.4	-61.3	168.6	0	0	0	107.5	E137 A138 I171 Y174 P205 F206 T208	I135-E137 VanDerWaalsContact C-N 3.29Å; I135-E137 HydrophobicContact CG2-CG 3.94Å; I135-E137 PolarHBondContact O-N 3.39Å; I135-A138 HydrophobicContact CG2-CB 4.46Å; I135-A138 WeakPolarHBondContact O-CB 3.23Å; I135-A138 PolarHBondContact O-N 3.22Å; I135-A138 VanDerWaalsContact O-N 3.14Å; I135-I171 HydrophobicContact CD1-CD1 3.48Å; I135-I171 VanDerWaalsContact CD1-CD1 3.48Å; I135-I171 HydrophobicContact CG1-CD1 4.46Å; I135-Y174 VanDerWaalsContact CA-OH 3.24Å; I135-Y174 WeakPolarHBondContact CA-OH 3.19Å; I135-Y174 HydrophobicContact CG1-CE1 4.29Å; I135-Y174 HydrophobicContact CG1-CE2 4.33Å; I135-Y174 HydrophobicContact CG2-CE2 4.02Å; I135-P205 HydrophobicContact CD1-CB 3.72Å; I135-F206 PolarHBondContact N-O 3.42Å; I135-T208 HydrophobicContact CD1-CG2 4.47Å
136	L	97.2	Very high	94.5	Very high	71 Å²	71	37.8 Å²	37.8	37%	0.372	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.2	-168.3	-62.4	-178.4	0	0	0	112.9	K73 M74 F134 A138 Y174	K73-L136 HydrophobicContact CB-CD1 4.28Å; K73-L136 HydrophobicContact CB-CD2 4.25Å; K73-L136 HydrophobicContact CD-CD1 3.88Å; M74-L136 HydrophobicContact CE-CD2 4.2Å; F134-L136 HydrophobicContact CB-CD2 4.33Å; F134-L136 PolarHBondContact O-N 2.91Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 PolarHBondContact O-N 2.86Å; L136-Y174 PolarHBondContact N-OH 2.92Å
137	E	96.6	Very high	94.1	Very high	59 Å²	59	39.3 Å²	39.3	28%	0.276	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.6	175.6	67.7	-92.8	-148.2	0	0	114.2	I135 E139 E140 C141 Y174	I135-E137 VanDerWaalsContact C-N 3.29Å; I135-E137 HydrophobicContact CG2-CG 3.94Å; I135-E137 PolarHBondContact O-N 3.39Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 2.85Å; E137-E140 WeakPolarHBondContact O-CB 3.43Å; E137-E140 PolarHBondContact O-N 2.82Å; E137-E140 VanDerWaalsContact O-N 3.1Å; E137-C141 PolarHBondContact O-N 3.42Å; E137-C141 PolarHBondContact O-SG 3.21Å; E137-Y174 WeakPolarHBondContact OE1-CE2 3.41Å; E137-Y174 PolarHBondContact OE2-OH 2.86Å
138	A	97.8	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-36.3	-176.8	0	0	0	0	0	113.2	L113 I135 L136 C141 A142 I204 F206	L113-A138 HydrophobicContact CD1-CB 4.18Å; L113-A138 VanDerWaalsContact CD2-C 3.49Å; L113-A138 HydrophobicContact CD2-CB 4.1Å; L113-A138 WeakPolarHBondContact CD2-O 3.37Å; I135-A138 HydrophobicContact CG2-CB 4.46Å; I135-A138 WeakPolarHBondContact O-CB 3.23Å; I135-A138 PolarHBondContact O-N 3.22Å; I135-A138 VanDerWaalsContact O-N 3.14Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 PolarHBondContact O-N 2.86Å; A138-C141 WeakPolarHBondContact O-CB 3.34Å; A138-C141 PolarHBondContact O-N 2.89Å; A138-A142 WeakPolarHBondContact O-CB 3.29Å; A138-A142 PolarHBondContact O-N 3.45Å; A138-I204 HydrophobicContact CB-CG2 3.87Å; A138-I204 WeakPolarHBondContact O-CG2 3.47Å; A138-F206 HydrophobicContact CB-CB 3.99Å
139	E	95.8	Very high	92.4	Very high	77 Å²	77	43.3 Å²	43.3	36%	0.36	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-41.5	176.5	-176.1	177.4	131.8	0	0	111.7	L113 H114 E137 C141 A142 A143	L113-E139 VanDerWaalsContact CD2-CA 3.49Å; L113-E139 HydrophobicContact CD2-CB 4.16Å; H114-E139 IonicContact CD2-OE2 3.83Å; H114-E139 IonicContact CE1-OE2 3.74Å; H114-E139 IonicContact NE2-OE2 2.83Å; H114-E139 PolarHBondContact NE2-OE2 3.44Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 2.85Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 2.83Å; E139-A142 PolarHBondContact O-N 2.69Å; E139-A143 WeakPolarHBondContact O-CB 3.42Å; E139-A143 PolarHBondContact O-N 2.7Å
140	E	94.9	Very high	91.1	Very high	126 Å²	126	51 Å²	51	59%	0.589	25%	0.254	S	S	*	.	H	α-helix	trans	-62.2	-43.5	174.8	-173.5	-175.7	171.4	0	0	110.5	E137 A142 A143 N144	E137-E140 WeakPolarHBondContact O-CB 3.43Å; E137-E140 PolarHBondContact O-N 2.82Å; E137-E140 VanDerWaalsContact O-N 3.1Å; E140-A142 PolarHBondContact O-N 3.15Å; E140-A143 PolarHBondContact O-N 2.92Å; E140-N144 VanDerWaalsContact O-CB 3.31Å; E140-N144 WeakPolarHBondContact O-CB 3.34Å; E140-N144 PolarHBondContact O-N 2.79Å; E140-N144 PolarHBondContact O-ND2 3.49Å
141	C	94.3	Very high	90.1	Very high	42 Å²	42	58.5 Å²	58.5	28%	0.284	29%	0.294	S	S	.	.	H	α-helix	trans	-56.8	-50.6	173.4	-67	0	0	0	0	111.5	E137 A138 E139 A143 N144 L145 I204	E137-C141 PolarHBondContact O-N 3.42Å; E137-C141 PolarHBondContact O-SG 3.21Å; A138-C141 WeakPolarHBondContact O-CB 3.34Å; A138-C141 PolarHBondContact O-N 2.89Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 2.83Å; C141-A143 PolarHBondContact O-N 2.91Å; C141-N144 PolarHBondContact O-N 2.91Å; C141-L145 WeakPolarHBondContact O-CG 3.17Å; C141-L145 PolarHBondContact O-N 3.26Å; C141-L145 VanDerWaalsContact O-N 3.16Å; C141-I204 HydrophobicContact CB-CG2 4.46Å
142	A	95.5	Very high	89.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-42.7	179.3	0	0	0	0	0	112.7	P109 V110 L113 A138 E139 E140 N144 L145 I204	P109-A142 HydrophobicContact CB-CB 4.28Å; V110-A142 HydrophobicContact CG2-CB 3.74Å; L113-A142 HydrophobicContact CD2-CB 3.85Å; A138-A142 WeakPolarHBondContact O-CB 3.29Å; A138-A142 PolarHBondContact O-N 3.45Å; E139-A142 PolarHBondContact O-N 2.69Å; E140-A142 PolarHBondContact O-N 3.15Å; A142-N144 VanDerWaalsContact C-N 3.34Å; A142-L145 WeakPolarHBondContact O-CB 3.49Å; A142-L145 PolarHBondContact O-N 3.09Å; A142-I204 HydrophobicContact CB-CD1 3.59Å; A142-I204 HydrophobicContact CB-CG1 4.39Å
143	A	93.6	Very high	88.9	Confident	21 Å²	21	63.6 Å²	63.6	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-37.2	176.9	0	0	0	0	0	112.1	V110 E139 E140 C141 L145 M146 K147	V110-A143 HydrophobicContact CG2-CB 4.24Å; E139-A143 WeakPolarHBondContact O-CB 3.42Å; E139-A143 PolarHBondContact O-N 2.7Å; E140-A143 PolarHBondContact O-N 2.92Å; C141-A143 PolarHBondContact O-N 2.91Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 2.79Å; A143-M146 PolarHBondContact O-N 3.46Å; A143-K147 PolarHBondContact O-N 3.05Å
144	N	92.6	Very high	88.2	Confident	53 Å²	53	67.9 Å²	67.9	28%	0.283	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-29	179.4	-75	-21.1	0	0	0	112.9	E140 C141 A142 M146 K147 F148	E140-N144 VanDerWaalsContact O-CB 3.31Å; E140-N144 WeakPolarHBondContact O-CB 3.34Å; E140-N144 PolarHBondContact O-N 2.79Å; E140-N144 PolarHBondContact O-ND2 3.49Å; C141-N144 PolarHBondContact O-N 2.91Å; A142-N144 VanDerWaalsContact C-N 3.34Å; N144-M146 PolarHBondContact O-N 3.3Å; N144-M146 VanDerWaalsContact O-N 3.14Å; N144-K147 PolarHBondContact O-N 3.13Å; N144-K147 VanDerWaalsContact O-N 3.13Å; N144-F148 PolarHBondContact O-N 3.44Å
145	L	91.7	Very high	87.7	Confident	12 Å²	12	74.2 Å²	74.2	6%	0.063	37%	0.372	C	S	.	.	H	α-helix	trans	-56.3	-29.7	172.3	-62.8	-178.3	0	0	0	112.6	P109 C141 A142 A143 I152 Y159 G202 I204	P109-L145 HydrophobicContact CB-CD1 4.1Å; P109-L145 HydrophobicContact CG-CD1 4.25Å; C141-L145 WeakPolarHBondContact O-CG 3.17Å; C141-L145 PolarHBondContact O-N 3.26Å; C141-L145 VanDerWaalsContact O-N 3.16Å; A142-L145 WeakPolarHBondContact O-CB 3.49Å; A142-L145 PolarHBondContact O-N 3.09Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 2.79Å; L145-I152 HydrophobicContact CD2-CD1 3.54Å; L145-I152 HydrophobicContact CD2-CG1 4.34Å; L145-I152 HydrophobicContact CD2-CG2 4.28Å; L145-Y159 HydrophobicContact CB-CE2 4.23Å; L145-Y159 HydrophobicContact CD2-CE2 4.41Å; L145-Y159 PolarHBondContact O-OH 3.37Å; L145-G202 VanDerWaalsContact CD1-O 3.3Å; L145-G202 WeakPolarHBondContact CD1-O 3.44Å; L145-I204 HydrophobicContact CD1-CD1 3.95Å; L145-I204 HydrophobicContact CD1-CG1 4.03Å
146	M	84.7	Confident	87.6	Confident	92 Å²	92	74.3 Å²	74.3	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-86.6	-34.2	178.1	-60.7	-172.3	-74	0	0	112.9	T108 V110 A143 N144	T108-M146 HydrophobicContact CG2-SD 3.88Å; V110-M146 HydrophobicContact CB-CE 4.45Å; V110-M146 HydrophobicContact CG2-CE 3.68Å; A143-M146 PolarHBondContact O-N 3.46Å; N144-M146 PolarHBondContact O-N 3.3Å; N144-M146 VanDerWaalsContact O-N 3.14Å
147	K	85.1	Confident	87.5	Confident	143 Å²	143	73.5 Å²	73.5	62%	0.622	37%	0.368	S	S	*	.	H	α-helix	trans	-86.9	-40.8	-173.9	-66.7	176.6	-177.3	174	0	113.7	A143 N144 P149	A143-K147 PolarHBondContact O-N 3.05Å; N144-K147 PolarHBondContact O-N 3.13Å; N144-K147 VanDerWaalsContact O-N 3.13Å; K147-P149 WeakPolarHBondContact O-CD 3.24Å
148	F	78.1	Confident	87.5	Confident	143 Å²	143	70.7 Å²	70.7	63%	0.627	36%	0.355	S	S	*	.			trans	-130.1	71.6	-171.3	-57.8	-71.9	0	0	0	111	N144 M150	N144-F148 PolarHBondContact O-N 3.44Å; F148-M150 PolarHBondContact O-N 2.87Å
149	P	66	Low	87.5	Confident	48 Å²	48	72 Å²	72	31%	0.312	36%	0.36	S	S	.	.			trans	-72.2	2.4	-174.7	29.2	-36	0	0	0	115.1	K147 N151 I152	K147-P149 WeakPolarHBondContact O-CD 3.24Å; P149-N151 PolarHBondContact O-N 2.78Å; P149-I152 PolarHBondContact O-N 3.42Å
150	M	64.5	Low	87.5	Confident	163 Å²	163	68.4 Å²	68.4	80%	0.803	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	130.5	-175.9	-62.3	-154.2	-59.4	0	0	109.8	F148 I152	F148-M150 PolarHBondContact O-N 2.87Å; M150-I152 VanDerWaalsContact C-N 3.35Å; M150-I152 PolarHBondContact O-N 3.23Å
151	N	74.7	Confident	87.7	Confident	161 Å²	161	62.4 Å²	62.4	86%	0.861	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	18.8	-179.8	-52.2	-25.7	0	0	0	116.5	P149	P149-N151 PolarHBondContact O-N 2.78Å
152	I	85.2	Confident	87.9	Confident	35 Å²	35	60.4 Å²	60.4	18%	0.179	30%	0.302	C	S	.	.			trans	-105.5	131.6	170.6	-64.3	154.9	0	0	0	109.7	L145 P149 M150 K154 Y159 S200	L145-I152 HydrophobicContact CD2-CD1 3.54Å; L145-I152 HydrophobicContact CD2-CG1 4.34Å; L145-I152 HydrophobicContact CD2-CG2 4.28Å; P149-I152 PolarHBondContact O-N 3.42Å; M150-I152 VanDerWaalsContact C-N 3.35Å; M150-I152 PolarHBondContact O-N 3.23Å; I152-K154 PolarHBondContact O-N 2.95Å; I152-Y159 HydrophobicContact CG2-CD2 3.8Å; I152-Y159 HydrophobicContact CG2-CE2 3.82Å; I152-S200 WeakPolarHBondContact CA-O 3.3Å
153	D	84.9	Confident	88	Confident	73 Å²	73	60.4 Å²	60.4	39%	0.39	30%	0.302	S	S	.	.			trans	-71.9	107.6	169.1	-177.1	-1.4	0	0	0	109.9	D155 S156 S200	D153-D155 WeakPolarHBondContact OD1-CA 3.4Å; D153-D155 PolarHBondContact OD1-N 3.2Å; D153-S156 VanDerWaalsContact O-CB 3.28Å; D153-S156 WeakPolarHBondContact O-CB 3.49Å; D153-S156 PolarHBondContact OD1-N 2.88Å; D153-S156 VanDerWaalsContact OD1-N 3.08Å; D153-S200 PolarHBondContact N-O 3.5Å
154	K	82.4	Confident	88.3	Confident	103 Å²	103	59.4 Å²	59.4	45%	0.448	29%	0.293	S	S	.	.	S	Bend	trans	-82.8	-16.7	178	-68.2	-177.7	177.4	175.9	0	113.4	I152 Y159	I152-K154 PolarHBondContact O-N 2.95Å; K154-Y159 HydrophobicContact CG-CD2 4.28Å; K154-Y159 HydrophobicContact CG-CE2 3.93Å
155	D	88.9	Confident	88.6	Confident	132 Å²	132	56.9 Å²	56.9	71%	0.706	28%	0.28	S	S	*	.	S	Bend	trans	-85.8	-21.2	179.8	-66.1	-42.5	0	0	0	111.2	K103 D153	K103-D155 PolarHBondContact NZ-O 2.82Å; D153-D155 WeakPolarHBondContact OD1-CA 3.4Å; D153-D155 PolarHBondContact OD1-N 3.2Å
156	S	94.5	Very high	88.9	Confident	7 Å²	7	56.3 Å²	56.3	5%	0.049	28%	0.277	C	S	.	.	S	Bend	trans	-37.2	134.1	166.6	172.8	0	0	0	0	113.4	D153 L158 Y159 V201	D153-S156 VanDerWaalsContact O-CB 3.28Å; D153-S156 WeakPolarHBondContact O-CB 3.49Å; D153-S156 PolarHBondContact OD1-N 2.88Å; D153-S156 VanDerWaalsContact OD1-N 3.08Å; S156-L158 PolarHBondContact O-N 3.08Å; S156-L158 PolarHBondContact OG-N 2.64Å; S156-Y159 PolarHBondContact O-N 3.46Å; S156-V201 VanDerWaalsContact CB-O 3.24Å; S156-V201 WeakPolarHBondContact CB-O 3.42Å; S156-V201 PolarHBondContact OG-O 3.28Å
157	E	95.5	Very high	89.4	Confident	54 Å²	54	52 Å²	52	25%	0.252	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	5	172.8	-64.4	173.1	121.3	0	0	113	C99 C317 R320	C99-E157 PolarHBondContact SG-O 3.26Å; E157-C317 HydrophobicContact CB-CB 4.04Å; E157-C317 PolarHBondContact OE1-SG 3.35Å; E157-C317 VanDerWaalsContact OE1-SG 3.36Å; E157-C317 WeakPolarHBondContact OE2-CA 3.41Å; E157-R320 IonicContact OE1-CZ 3.62Å; E157-R320 IonicContact OE1-NE 3.71Å; E157-R320 IonicContact OE1-NH2 3.43Å; E157-R320 PolarHBondContact OE1-NH2 3.39Å; E157-R320 IonicContact OE2-CZ 2.69Å; E157-R320 IonicContact OE2-NE 2.83Å; E157-R320 PolarHBondContact OE2-NE 2.95Å; E157-R320 IonicContact OE2-NH2 3.63Å; E157-R320 PolarHBondContact OE2-NH2 2.91Å
158	L	97.7	Very high	89.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	6	170.3	-61.3	-179.5	0	0	0	112.9	L95 S156 G160 I161 L198 V201 G202 A203 V256 V318 A321	L95-L158 HydrophobicContact CD1-CD2 4.43Å; L95-L158 HydrophobicContact CD2-CD2 3.92Å; S156-L158 PolarHBondContact O-N 3.08Å; S156-L158 PolarHBondContact OG-N 2.64Å; L158-G160 PolarHBondContact O-N 3.07Å; L158-G160 VanDerWaalsContact O-N 3.11Å; L158-I161 HydrophobicContact CD2-CG2 4.48Å; L158-I161 WeakPolarHBondContact O-CB 3.34Å; L158-I161 PolarHBondContact O-N 3.17Å; L158-L198 HydrophobicContact CD1-CD2 4.01Å; L158-V201 HydrophobicContact CB-CG2 4.32Å; L158-V201 HydrophobicContact CD1-CG2 4.44Å; L158-G202 CarbonylContact O-C 3.52Å; L158-A203 HydrophobicContact CB-CB 3.87Å; L158-A203 HydrophobicContact CD1-CB 4.36Å; L158-A203 VanDerWaalsContact O-CA 3.31Å; L158-A203 WeakPolarHBondContact O-CA 3.25Å; L158-A203 PolarHBondContact O-N 3.17Å; L158-V256 HydrophobicContact CD2-CG2 4.33Å; L158-V318 HydrophobicContact CD1-CG1 4.4Å; L158-V318 HydrophobicContact CD1-CG2 4.48Å; L158-V318 HydrophobicContact CD2-CG2 3.96Å; L158-A321 HydrophobicContact CB-CB 4.27Å; L158-A321 HydrophobicContact CD1-CB 3.66Å; L158-A321 HydrophobicContact CG-CB 3.67Å
159	Y	96.6	Very high	90.7	Very high	28 Å²	28	38.9 Å²	38.9	11%	0.11	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	118	179.2	-179.4	-93.3	0	0	0	111.4	I102 P109 L145 I152 K154 S156 I161	I102-Y159 HydrophobicContact CG2-CD1 3.91Å; I102-Y159 HydrophobicContact CG2-CE1 4.01Å; P109-Y159 HydrophobicContact CG-CE1 4.37Å; L145-Y159 HydrophobicContact CB-CE2 4.23Å; L145-Y159 HydrophobicContact CD2-CE2 4.41Å; L145-Y159 PolarHBondContact O-OH 3.37Å; I152-Y159 HydrophobicContact CG2-CD2 3.8Å; I152-Y159 HydrophobicContact CG2-CE2 3.82Å; K154-Y159 HydrophobicContact CG-CD2 4.28Å; K154-Y159 HydrophobicContact CG-CE2 3.93Å; S156-Y159 PolarHBondContact O-N 3.46Å; Y159-I161 VanDerWaalsContact C-N 3.27Å; Y159-I161 PolarHBondContact O-N 3.45Å
160	G	96.7	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	14.3	-179.8	0	0	0	0	0	114.8	I102 L158 G202	I102-G160 WeakPolarHBondContact CD1-O 3.25Å; L158-G160 PolarHBondContact O-N 3.07Å; L158-G160 VanDerWaalsContact O-N 3.11Å; G160-G202 PolarHBondContact N-O 2.88Å
161	I	98.2	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.			trans	-94.9	123.5	-177	-58.7	-59.2	0	0	0	110.6	L95 L98 I102 L158 Y159 I204 P255 V256	L95-I161 HydrophobicContact CD1-CB 4.23Å; L95-I161 HydrophobicContact CD1-CD1 3.9Å; L95-I161 HydrophobicContact CD1-CG1 3.76Å; L95-I161 HydrophobicContact CD1-CG2 3.53Å; L98-I161 HydrophobicContact CB-CD1 3.88Å; I102-I161 HydrophobicContact CD1-CD1 3.93Å; L158-I161 HydrophobicContact CD2-CG2 4.48Å; L158-I161 WeakPolarHBondContact O-CB 3.34Å; L158-I161 PolarHBondContact O-N 3.17Å; Y159-I161 VanDerWaalsContact C-N 3.27Å; Y159-I161 PolarHBondContact O-N 3.45Å; I161-I204 PolarHBondContact O-N 3.28Å; I161-P255 HydrophobicContact CG2-CG 3.82Å; I161-V256 HydrophobicContact CG2-CG2 4.31Å
162	P	98.6	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	134.2	168.7	-20.4	33.8	0	0	0	111.2	V112 L113 F116 I204 F206 P255	V112-P162 HydrophobicContact CG1-CG 4.15Å; L113-P162 HydrophobicContact CB-CG 4.11Å; L113-P162 HydrophobicContact CD1-CB 4.16Å; L113-P162 HydrophobicContact CD1-CG 4.09Å; F116-P162 HydrophobicContact CB-CB 4.43Å; F116-P162 HydrophobicContact CB-CG 4.48Å; F116-P162 HydrophobicContact CD2-CB 4.47Å; F116-P162 HydrophobicContact CD2-CG 4.03Å; P162-I204 CarbonylContact C-O 3.56Å; P162-I204 VanDerWaalsContact CA-O 3.26Å; P162-I204 WeakPolarHBondContact CA-O 3.45Å; P162-F206 HydrophobicContact CB-CB 4.42Å; P162-F206 HydrophobicContact CB-CD1 3.54Å; P162-F206 HydrophobicContact CB-CE1 3.92Å; P162-F206 HydrophobicContact CB-CG 3.98Å; P162-P255 VanDerWaalsContact O-CD 3.29Å; P162-P255 WeakPolarHBondContact O-CD 3.48Å; P162-P255 WeakPolarHBondContact O-CG 3.49Å
163	I	98.9	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.2	179	-173.5	161.4	0	0	0	111.2	I165 L198 A203 I204 P205 F206 V256 I258	I163-I165 HydrophobicContact CG1-CD1 4.31Å; I163-I165 HydrophobicContact CG2-CD1 4.35Å; I163-L198 HydrophobicContact CD1-CD1 4.4Å; I163-L198 HydrophobicContact CD1-CD2 3.79Å; I163-L198 HydrophobicContact CG2-CD1 4.34Å; I163-L198 HydrophobicContact CG2-CD2 4.4Å; I163-A203 HydrophobicContact CG2-CB 4.2Å; I163-I204 PolarHBondContact N-O 3.07Å; I163-P205 HydrophobicContact CG2-CB 4.49Å; I163-P205 HydrophobicContact CG2-CG 4.15Å; I163-P205 WeakPolarHBondContact O-CA 3.39Å; I163-F206 WeakPolarHBondContact O-CD1 3.43Å; I163-F206 PolarHBondContact O-N 2.75Å; I163-V256 HydrophobicContact CB-CG2 4.34Å; I163-V256 HydrophobicContact CD1-CG2 3.96Å; I163-V256 HydrophobicContact CG1-CG2 4.02Å; I163-I258 HydrophobicContact CD1-CD1 3.91Å; I163-I258 HydrophobicContact CD1-CG1 3.72Å; I163-I258 HydrophobicContact CG1-CG1 4.35Å
164	S	98.9	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.6	174.5	52.9	0	0	0	0	110.9	E245 S254 V256 G257 I258	S164-E245 WeakPolarHBondContact CB-OE2 3.4Å; S164-E245 PolarHBondContact OG-OE2 3.05Å; S164-S254 PolarHBondContact N-OG 2.78Å; S164-S254 WeakPolarHBondContact OG-CB 3.5Å; S164-S254 PolarHBondContact OG-OG 2.68Å; S164-S254 VanDerWaalsContact OG-OG 3.13Å; S164-V256 PolarHBondContact N-O 3.09Å; S164-V256 VanDerWaalsContact N-O 3.16Å; S164-V256 PolarHBondContact OG-O 3.27Å; S164-G257 VanDerWaalsContact O-CA 3.31Å; S164-G257 WeakPolarHBondContact O-CA 3.37Å; S164-G257 WeakPolarHBondContact OG-CA 3.42Å; S164-I258 PolarHBondContact O-N 3.02Å
165	I	98.8	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.2	-174	-58	-63.2	0	0	0	110.3	I163 E167 I169 I171 I195 L198 P205 V207 T208 T209 E245 I258	I163-I165 HydrophobicContact CG1-CD1 4.31Å; I163-I165 HydrophobicContact CG2-CD1 4.35Å; I165-E167 PolarHBondContact O-N 3.02Å; I165-I169 HydrophobicContact CG2-CB 3.5Å; I165-I169 HydrophobicContact CG2-CD1 3.94Å; I165-I169 HydrophobicContact CG2-CG1 4.26Å; I165-I169 HydrophobicContact CG2-CG2 3.63Å; I165-I171 HydrophobicContact CB-CD1 4.09Å; I165-I171 HydrophobicContact CG1-CD1 4.25Å; I165-I171 HydrophobicContact CG2-CD1 3.99Å; I165-I171 HydrophobicContact CG2-CG1 4.46Å; I165-I195 HydrophobicContact CD1-CD1 3.93Å; I165-I195 HydrophobicContact CG1-CD1 3.98Å; I165-I195 HydrophobicContact CG2-CD1 4.11Å; I165-L198 HydrophobicContact CD1-CD1 3.71Å; I165-P205 HydrophobicContact CG1-CB 4.1Å; I165-V207 PolarHBondContact N-O 3.13Å; I165-T208 CarbonylContact O-C 3.58Å; I165-T208 WeakPolarHBondContact O-CA 3.31Å; I165-T209 PolarHBondContact O-N 3.31Å; I165-E245 PolarHBondContact N-OE1 3.18Å; I165-I258 HydrophobicContact CD1-CB 4.27Å; I165-I258 HydrophobicContact CD1-CG1 4.08Å
166	K	98.4	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	134	173.4	-175.1	-169.1	-178.9	167.4	0	111.7	G168 I169 T209 T211 S241 S242 E245 I258 T260	K166-G168 PolarHBondContact O-N 3.24Å; K166-I169 HydrophobicContact CB-CD1 4.17Å; K166-I169 WeakPolarHBondContact O-CB 3.22Å; K166-I169 WeakPolarHBondContact O-CG1 3.46Å; K166-I169 PolarHBondContact O-N 2.61Å; K166-I169 VanDerWaalsContact O-N 3.14Å; K166-T209 WeakPolarHBondContact CA-OG1 3.45Å; K166-T211 WeakPolarHBondContact CE-OG1 3.33Å; K166-S241 PolarHBondContact NZ-OG 3.43Å; K166-S242 WeakPolarHBondContact CD-OG 3.16Å; K166-S242 WeakPolarHBondContact CE-OG 3.27Å; K166-S242 PolarHBondContact NZ-OG 2.89Å; K166-E245 HydrophobicContact CB-CG 3.96Å; K166-E245 PolarHBondContact N-OE1 2.88Å; K166-E245 VanDerWaalsContact N-OE1 3.08Å; K166-I258 VanDerWaalsContact CB-O 3.22Å; K166-I258 WeakPolarHBondContact CB-O 3.39Å; K166-I258 PolarHBondContact N-O 3.34Å; K166-T260 WeakPolarHBondContact CE-OG1 3.33Å; K166-T260 PolarHBondContact NZ-O 3.04Å; K166-T260 PolarHBondContact NZ-OG1 2.88Å
167	E	94.4	Very high	97.3	Very high	3 Å²	3	17 Å²	17	1%	0.014	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	135.5	170.4	-172.9	-174.1	-130.6	0	0	111.6	I165 T177 M178 G179 T209 T211 Y225	I165-E167 PolarHBondContact O-N 3.02Å; E167-T177 VanDerWaalsContact CD-N 3.3Å; E167-T177 WeakPolarHBondContact OE1-CA 3.38Å; E167-T177 WeakPolarHBondContact OE1-CB 3.34Å; E167-T177 VanDerWaalsContact OE1-CG2 3.27Å; E167-T177 WeakPolarHBondContact OE1-CG2 3.49Å; E167-T177 PolarHBondContact OE1-N 3.42Å; E167-T177 PolarHBondContact OE1-OG1 2.85Å; E167-T177 PolarHBondContact OE2-OG1 3.13Å; E167-M178 PolarHBondContact OE2-N 3.39Å; E167-G179 PolarHBondContact OE2-N 3.42Å; E167-T209 WeakPolarHBondContact CB-O 3.46Å; E167-T209 PolarHBondContact N-O 2.93Å; E167-T211 HydrophobicContact CB-CG2 4.17Å; E167-Y225 PolarHBondContact OE1-OH 3.3Å
168	G	93.3	Very high	97.3	Very high	5 Å²	5	14.9 Å²	14.9	5%	0.052	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.5	-24.9	-172.1	0	0	0	0	0	112.8	K166 A170 M178 V291	K166-G168 PolarHBondContact O-N 3.24Å; G168-A170 PolarHBondContact O-N 3.37Å; G168-M178 WeakPolarHBondContact CA-SD 3.39Å; G168-V291 WeakPolarHBondContact O-CB 3.4Å; G168-V291 PolarHBondContact O-N 2.87Å
169	I	98.2	Very high	97.3	Very high	5 Å²	5	15 Å²	15	3%	0.026	8%	0.078	C	C	.	.	S	Bend	trans	-75.7	112.4	163	-57.1	173.8	0	0	0	106.8	I165 K166 I171 L194 I195 I258 T260 I290 L305	I165-I169 HydrophobicContact CG2-CB 3.5Å; I165-I169 HydrophobicContact CG2-CD1 3.94Å; I165-I169 HydrophobicContact CG2-CG1 4.26Å; I165-I169 HydrophobicContact CG2-CG2 3.63Å; K166-I169 HydrophobicContact CB-CD1 4.17Å; K166-I169 WeakPolarHBondContact O-CB 3.22Å; K166-I169 WeakPolarHBondContact O-CG1 3.46Å; K166-I169 PolarHBondContact O-N 2.61Å; K166-I169 VanDerWaalsContact O-N 3.14Å; I169-I171 PolarHBondContact O-N 3.29Å; I169-L194 HydrophobicContact CD1-CD2 4.21Å; I169-L194 HydrophobicContact CG2-CD2 3.91Å; I169-I195 HydrophobicContact CG2-CD1 4.05Å; I169-I195 HydrophobicContact CG2-CG1 4.02Å; I169-I258 HydrophobicContact CD1-CB 4.04Å; I169-I258 HydrophobicContact CD1-CG2 3.75Å; I169-I258 WeakPolarHBondContact CD1-O 3.37Å; I169-T260 HydrophobicContact CG1-CG2 4.26Å; I169-I290 HydrophobicContact CB-CD1 4.16Å; I169-I290 HydrophobicContact CG1-CD1 4.15Å; I169-I290 HydrophobicContact CG2-CD1 3.91Å; I169-L305 HydrophobicContact CD1-CD2 3.58Å; I169-L305 HydrophobicContact CG1-CD2 3.66Å
170	A	97.7	Very high	97.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	7%	0.073	C	C	.	.			trans	-70.2	120.5	-169.3	0	0	0	0	0	112.4	G168 I188 C192 I195 G289 V291	G168-A170 PolarHBondContact O-N 3.37Å; A170-I188 HydrophobicContact CB-CB 4.49Å; A170-I188 HydrophobicContact CB-CG1 4.24Å; A170-I188 HydrophobicContact CB-CG2 3.85Å; A170-C192 HydrophobicContact CB-CB 4.04Å; A170-C192 PolarHBondContact O-N 2.86Å; A170-I195 WeakPolarHBondContact O-CG1 3.39Å; A170-G289 WeakPolarHBondContact CB-O 3.38Å; A170-V291 HydrophobicContact CB-CG2 4.28Å
171	I	98.5	Very high	97.3	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.026	7%	0.074	C	C	.	.			trans	-118	128.6	172	-52.4	-177.9	0	0	0	107.5	I135 I165 I169 G173 Y174 I195 T208	I135-I171 HydrophobicContact CD1-CD1 3.48Å; I135-I171 VanDerWaalsContact CD1-CD1 3.48Å; I135-I171 HydrophobicContact CG1-CD1 4.46Å; I165-I171 HydrophobicContact CB-CD1 4.09Å; I165-I171 HydrophobicContact CG1-CD1 4.25Å; I165-I171 HydrophobicContact CG2-CD1 3.99Å; I165-I171 HydrophobicContact CG2-CG1 4.46Å; I169-I171 PolarHBondContact O-N 3.29Å; I171-G173 PolarHBondContact O-N 3.22Å; I171-Y174 HydrophobicContact CB-CD2 4.09Å; I171-Y174 HydrophobicContact CG2-CD2 3.65Å; I171-Y174 HydrophobicContact CG2-CE2 4.2Å; I171-Y174 PolarHBondContact O-N 3.38Å; I171-Y174 VanDerWaalsContact O-N 3.17Å; I171-I195 HydrophobicContact CD1-CD1 4.08Å; I171-I195 HydrophobicContact CG1-CD1 3.8Å; I171-I195 HydrophobicContact CG1-CG1 3.96Å; I171-T208 HydrophobicContact CD1-CG2 3.75Å
172	R	98.1	Very high	97.1	Very high	167 Å²	167	16.8 Å²	16.8	63%	0.63	9%	0.087	S	C	*	.	B	Isolated β-bridge	trans	-53.9	133.1	178.5	176.3	175.4	177.5	-158.9	-2	111	Y174 I188 D189 D191	R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 VanDerWaalsContact O-CD2 3.29Å; R172-Y174 WeakPolarHBondContact O-CD2 2.81Å; R172-Y174 PolarHBondContact O-N 3.36Å; R172-I188 CarbonylContact C-O 3.42Å; R172-I188 WeakPolarHBondContact CA-O 3.18Å; R172-D189 WeakPolarHBondContact CG-O 3.45Å; R172-D191 WeakPolarHBondContact CB-OD1 3.43Å; R172-D191 PolarHBondContact N-OD1 3.34Å
173	G	97.6	Very high	97	Very high	51 Å²	51	19.2 Å²	19.2	53%	0.526	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-9.3	177.7	0	0	0	0	0	114.9	I171 P187 I188	I171-G173 PolarHBondContact O-N 3.22Å; G173-P187 WeakPolarHBondContact O-CB 3.33Å; G173-I188 PolarHBondContact N-O 2.98Å
174	Y	97.6	Very high	96.9	Very high	23 Å²	23	19.3 Å²	19.3	9%	0.09	10%	0.096	C	C	.	.	S	Bend	trans	-108.9	148.5	179.6	-64.8	-91.6	0	0	0	111.4	L133 F134 I135 L136 E137 I171 R172 P187 I188	L133-Y174 HydrophobicContact CB-CD1 4.41Å; L133-Y174 HydrophobicContact CD1-CD1 3.96Å; F134-Y174 WeakPolarHBondContact O-CE1 3.25Å; I135-Y174 VanDerWaalsContact CA-OH 3.24Å; I135-Y174 WeakPolarHBondContact CA-OH 3.19Å; I135-Y174 HydrophobicContact CG1-CE1 4.29Å; I135-Y174 HydrophobicContact CG1-CE2 4.33Å; I135-Y174 HydrophobicContact CG2-CE2 4.02Å; L136-Y174 PolarHBondContact N-OH 2.92Å; E137-Y174 WeakPolarHBondContact OE1-CE2 3.41Å; E137-Y174 PolarHBondContact OE2-OH 2.86Å; I171-Y174 HydrophobicContact CB-CD2 4.09Å; I171-Y174 HydrophobicContact CG2-CD2 3.65Å; I171-Y174 HydrophobicContact CG2-CE2 4.2Å; I171-Y174 PolarHBondContact O-N 3.38Å; I171-Y174 VanDerWaalsContact O-N 3.17Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 VanDerWaalsContact O-CD2 3.29Å; R172-Y174 WeakPolarHBondContact O-CD2 2.81Å; R172-Y174 PolarHBondContact O-N 3.36Å; Y174-P187 WeakPolarHBondContact O-CA 3.09Å; Y174-I188 WeakPolarHBondContact O-CG1 3.19Å; Y174-I188 PolarHBondContact O-N 2.82Å
175	D	96.7	Very high	96.8	Very high	14 Å²	14	21.1 Å²	21.1	8%	0.075	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-73.7	146.1	173.9	-62.5	-19.6	0	0	0	110.6	K63 T177 N185 Q186 P187	K63-D175 WeakPolarHBondContact CD-OD2 3.42Å; K63-D175 WeakPolarHBondContact CE-OD2 3.29Å; K63-D175 IonicContact NZ-OD2 2.69Å; K63-D175 PolarHBondContact NZ-OD2 3.21Å; D175-T177 HydrophobicContact CB-CG2 3.77Å; D175-N185 WeakPolarHBondContact OD2-CA 3.4Å; D175-N185 PolarHBondContact OD2-N 3.45Å; D175-Q186 PolarHBondContact OD1-N 2.99Å; D175-P187 VanDerWaalsContact OD1-N 3.1Å
176	A	96.3	Very high	96.7	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	13%	0.126	C	C	.	.			trans	-110.9	85.2	162.2	0	0	0	0	0	109	R183 I188 V291	A176-R183 PolarHBondContact O-NE 3.31Å; A176-R183 PolarHBondContact O-NH2 3.01Å; A176-I188 HydrophobicContact CB-CD1 4.18Å; A176-I188 HydrophobicContact CB-CG1 4.29Å; A176-V291 HydrophobicContact CB-CB 3.91Å; A176-V291 HydrophobicContact CB-CG1 4.02Å; A176-V291 HydrophobicContact CB-CG2 3.61Å
177	T	96.8	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.			trans	-76.7	-24.8	-170.2	78.4	0	0	0	0	113.1	E167 D175 G179 I180 R183 I224	E167-T177 VanDerWaalsContact CD-N 3.3Å; E167-T177 WeakPolarHBondContact OE1-CA 3.38Å; E167-T177 WeakPolarHBondContact OE1-CB 3.34Å; E167-T177 VanDerWaalsContact OE1-CG2 3.27Å; E167-T177 WeakPolarHBondContact OE1-CG2 3.49Å; E167-T177 PolarHBondContact OE1-N 3.42Å; E167-T177 PolarHBondContact OE1-OG1 2.85Å; E167-T177 PolarHBondContact OE2-OG1 3.13Å; D175-T177 HydrophobicContact CB-CG2 3.77Å; T177-G179 PolarHBondContact O-N 2.97Å; T177-G179 PolarHBondContact OG1-N 3.45Å; T177-I180 WeakPolarHBondContact O-CG1 3.47Å; T177-I180 PolarHBondContact O-N 3.32Å; T177-R183 WeakPolarHBondContact O-CB 3.42Å; T177-R183 WeakPolarHBondContact O-CD 3.47Å; T177-I224 HydrophobicContact CG2-CD1 3.98Å; T177-I224 VanDerWaalsContact OG1-CD1 3.29Å; T177-I224 WeakPolarHBondContact OG1-CD1 3.35Å
178	M	96.1	Very high	96.7	Very high	9 Å²	9	30 Å²	30	4%	0.044	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	34.4	-178.7	-51.6	-66.6	-68.9	0	0	111.6	E167 G168 I180 L214 C215 V291 T293	E167-M178 PolarHBondContact OE2-N 3.39Å; G168-M178 WeakPolarHBondContact CA-SD 3.39Å; M178-I180 VanDerWaalsContact C-N 3.3Å; M178-I180 PolarHBondContact O-N 3.31Å; M178-L214 WeakPolarHBondContact O-CA 3.35Å; M178-L214 PolarHBondContact O-N 3.42Å; M178-C215 HydrophobicContact CE-CB 4.48Å; M178-C215 WeakPolarHBondContact CE-SG 3.47Å; M178-V291 HydrophobicContact CG-CG1 4.11Å; M178-V291 HydrophobicContact SD-CG1 4.18Å; M178-T293 HydrophobicContact CB-CG2 3.87Å; M178-T293 HydrophobicContact CE-CG2 4.3Å; M178-T293 HydrophobicContact CG-CG2 3.81Å
179	G	95.9	Very high	96.9	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	20.3	-177.9	0	0	0	0	0	116.3	E167 T177 H222	E167-G179 PolarHBondContact OE2-N 3.42Å; T177-G179 PolarHBondContact O-N 2.97Å; T177-G179 PolarHBondContact OG1-N 3.45Å; G179-H222 WeakPolarHBondContact CA-NE2 3.49Å
180	I	96.5	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.			trans	-129.1	143.1	179.4	57.3	158.6	0	0	0	113.6	T177 M178 K182 R183 Q213 L214 I224 H420 E424	T177-I180 WeakPolarHBondContact O-CG1 3.47Å; T177-I180 PolarHBondContact O-N 3.32Å; M178-I180 VanDerWaalsContact C-N 3.3Å; M178-I180 PolarHBondContact O-N 3.31Å; I180-K182 HydrophobicContact CD1-CB 4.33Å; I180-K182 PolarHBondContact O-N 3.48Å; I180-R183 HydrophobicContact CD1-CG 3.71Å; I180-R183 HydrophobicContact CG1-CB 4.27Å; I180-R183 HydrophobicContact CG1-CG 3.92Å; I180-R183 PolarHBondContact O-N 3.29Å; I180-Q213 HydrophobicContact CG2-CG 3.87Å; I180-L214 HydrophobicContact CB-CD2 4.46Å; I180-L214 HydrophobicContact CD1-CD2 3.72Å; I180-L214 HydrophobicContact CG1-CD2 3.96Å; I180-L214 HydrophobicContact CG2-CD2 3.66Å; I180-L214 HydrophobicContact CG2-CG 3.87Å; I180-I224 WeakPolarHBondContact O-CD1 3.36Å; I180-H420 HydrophobicContact CD1-CB 4.25Å; I180-E424 HydrophobicContact CB-CG 4.27Å; I180-E424 HydrophobicContact CG2-CG 4.2Å
181	I	97.2	Very high	96.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64	-39.9	-174.8	-61	170.6	0	0	0	111.4	N56 L59 L60 R183 C184 V223 E424 P425	N56-I181 HydrophobicContact CB-CD1 4.42Å; N56-I181 HydrophobicContact CB-CG2 4.01Å; N56-I181 WeakPolarHBondContact O-CG2 3.45Å; L59-I181 HydrophobicContact CB-CG2 4.18Å; L59-I181 HydrophobicContact CD2-CG2 4.26Å; L59-I181 WeakPolarHBondContact CD2-O 3.46Å; L59-I181 HydrophobicContact CG-CG2 4.26Å; L60-I181 HydrophobicContact CB-CD1 4.21Å; L60-I181 HydrophobicContact CB-CG1 4.33Å; L60-I181 HydrophobicContact CB-CG2 3.99Å; L60-I181 HydrophobicContact CD1-CG1 4.34Å; L60-I181 HydrophobicContact CD2-CD1 3.99Å; I181-R183 PolarHBondContact O-N 2.91Å; I181-C184 VanDerWaalsContact O-CB 3.27Å; I181-C184 WeakPolarHBondContact O-CB 3.44Å; I181-C184 PolarHBondContact O-N 3.05Å; I181-C184 PolarHBondContact O-SG 2.8Å; I181-V223 HydrophobicContact CD1-CG1 4.34Å; I181-V223 HydrophobicContact CD1-CG2 3.96Å; I181-V223 HydrophobicContact CG1-CG1 3.78Å; I181-V223 HydrophobicContact CG1-CG2 4.26Å; I181-E424 WeakPolarHBondContact CB-OE2 3.36Å; I181-E424 WeakPolarHBondContact CG1-OE2 3.35Å; I181-E424 PolarHBondContact N-OE1 3.42Å; I181-E424 PolarHBondContact N-OE2 3.33Å; I181-P425 HydrophobicContact CD1-CG 4.18Å
182	K	94.9	Very high	96.9	Very high	62 Å²	62	42.7 Å²	42.7	27%	0.27	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-55.7	-17.4	-179.4	-78.2	166	-176.8	173.2	0	115.4	I180 Q186 S419 H420 Q422 E424	I180-K182 HydrophobicContact CD1-CB 4.33Å; I180-K182 PolarHBondContact O-N 3.48Å; K182-Q186 PolarHBondContact O-NE2 3.16Å; K182-S419 PolarHBondContact NZ-O 2.94Å; K182-H420 PolarHBondContact NZ-O 3.36Å; K182-Q422 WeakPolarHBondContact CE-O 3.34Å; K182-Q422 PolarHBondContact NZ-O 3.01Å; K182-E424 WeakPolarHBondContact CB-OE1 3.44Å; K182-E424 WeakPolarHBondContact CD-OE1 3.22Å; K182-E424 WeakPolarHBondContact CG-OE1 3.26Å; K182-E424 PolarHBondContact N-OE1 2.84Å
183	R	96	Very high	97	Very high	51 Å²	51	35.2 Å²	35.2	19%	0.192	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-106	5.8	-179.9	-65.3	-173.4	65.4	73.8	13.3	113.2	A176 T177 I180 I181 V291	A176-R183 PolarHBondContact O-NE 3.31Å; A176-R183 PolarHBondContact O-NH2 3.01Å; T177-R183 WeakPolarHBondContact O-CB 3.42Å; T177-R183 WeakPolarHBondContact O-CD 3.47Å; I180-R183 HydrophobicContact CD1-CG 3.71Å; I180-R183 HydrophobicContact CG1-CB 4.27Å; I180-R183 HydrophobicContact CG1-CG 3.92Å; I180-R183 PolarHBondContact O-N 3.29Å; I181-R183 PolarHBondContact O-N 2.91Å; R183-V291 VanDerWaalsContact NH2-CG1 3.28Å
184	C	97.3	Very high	97	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	151.6	171.9	-65.3	0	0	0	0	112	L59 K63 I181 Q186 I224	L59-C184 HydrophobicContact CD1-CB 4.1Å; L59-C184 HydrophobicContact CD2-CB 4.27Å; L59-C184 HydrophobicContact CG-CB 3.88Å; K63-C184 HydrophobicContact CB-CB 3.81Å; K63-C184 HydrophobicContact CD-CB 4.38Å; K63-C184 HydrophobicContact CG-CB 3.99Å; I181-C184 VanDerWaalsContact O-CB 3.27Å; I181-C184 WeakPolarHBondContact O-CB 3.44Å; I181-C184 PolarHBondContact O-N 3.05Å; I181-C184 PolarHBondContact O-SG 2.8Å; C184-Q186 VanDerWaalsContact C-N 3.27Å; C184-Q186 PolarHBondContact O-N 3.44Å; C184-I224 WeakPolarHBondContact SG-CD1 3.44Å
185	N	96.1	Very high	97.1	Very high	38 Å²	38	31.7 Å²	31.7	20%	0.203	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	40.4	176.8	-57.4	-25.7	0	0	0	112.8	L59 S62 R66 D175	L59-N185 HydrophobicContact CD1-CB 4.12Å; L59-N185 WeakPolarHBondContact CD1-ND2 3.35Å; S62-N185 PolarHBondContact OG-ND2 3.04Å; S62-N185 VanDerWaalsContact OG-ND2 3.08Å; R66-N185 WeakPolarHBondContact CD-OD1 3.37Å; D175-N185 WeakPolarHBondContact OD2-CA 3.4Å; D175-N185 PolarHBondContact OD2-N 3.45Å
186	Q	96.5	Very high	97.1	Very high	91 Å²	91	34.6 Å²	34.6	43%	0.425	17%	0.172	S	C	.	.			trans	-130.8	73.1	178.2	-71.2	171.7	32	0	0	107.4	D175 K182 C184	D175-Q186 PolarHBondContact OD1-N 2.99Å; K182-Q186 PolarHBondContact O-NE2 3.16Å; C184-Q186 VanDerWaalsContact C-N 3.27Å; C184-Q186 PolarHBondContact O-N 3.44Å
187	P	96.9	Very high	97.2	Very high	64 Å²	64	34.5 Å²	34.5	42%	0.416	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-63.1	141.9	-178.3	27.2	-34.7	0	0	0	109.7	G173 Y174 D175	G173-P187 WeakPolarHBondContact O-CB 3.33Å; Y174-P187 WeakPolarHBondContact O-CA 3.09Å; D175-P187 VanDerWaalsContact OD1-N 3.1Å
188	I	97.5	Very high	97.3	Very high	35 Å²	35	34.5 Å²	34.5	18%	0.179	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-73.7	140	176.5	-55.7	-62	0	0	0	109.8	A170 R172 G173 Y174 A176 E190 V291	A170-I188 HydrophobicContact CB-CB 4.49Å; A170-I188 HydrophobicContact CB-CG1 4.24Å; A170-I188 HydrophobicContact CB-CG2 3.85Å; R172-I188 CarbonylContact C-O 3.42Å; R172-I188 WeakPolarHBondContact CA-O 3.18Å; G173-I188 PolarHBondContact N-O 2.98Å; Y174-I188 WeakPolarHBondContact O-CG1 3.19Å; Y174-I188 PolarHBondContact O-N 2.82Å; A176-I188 HydrophobicContact CB-CD1 4.18Å; A176-I188 HydrophobicContact CB-CG1 4.29Å; I188-E190 WeakPolarHBondContact CG2-O 3.36Å; I188-V291 HydrophobicContact CD1-CG2 3.77Å
189	D	97.2	Very high	97.3	Very high	147 Å²	147	37.2 Å²	37.2	79%	0.786	18%	0.183	S	C	*	.	S	Bend	trans	-76.9	-28.3	-176.7	-63.8	-41.2	0	0	0	113.4	R172	R172-D189 WeakPolarHBondContact CG-O 3.45Å
190	E	97.6	Very high	97.3	Very high	112 Å²	112	38.2 Å²	38.2	52%	0.523	19%	0.19	S	C	.	.	S	Bend	trans	-140.4	153.1	-176.6	64.2	168.4	163.6	0	0	113.8	I188 K196	I188-E190 WeakPolarHBondContact CG2-O 3.36Å; E190-K196 IonicContact OE2-NZ 3.16Å; E190-K196 PolarHBondContact OE2-NZ 2.99Å; E190-K196 VanDerWaalsContact OE2-NZ 3.16Å
191	D	98.5	Very high	97.3	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	19%	0.19	C	C	.	.			trans	-67.1	137.6	168.9	-72.8	-25.2	0	0	0	110.2	R172 I195 K196 K199	R172-D191 WeakPolarHBondContact CB-OD1 3.43Å; R172-D191 PolarHBondContact N-OD1 3.34Å; D191-I195 HydrophobicContact CB-CB 3.98Å; D191-I195 HydrophobicContact CB-CG2 3.78Å; D191-I195 VanDerWaalsContact CG-CG2 3.43Å; D191-K196 HydrophobicContact CB-CG 3.87Å; D191-K196 WeakPolarHBondContact O-CE 3.21Å; D191-K196 PolarHBondContact O-NZ 3.39Å; D191-K196 VanDerWaalsContact O-NZ 3.1Å; D191-K199 IonicContact OD1-NZ 3.59Å; D191-K199 IonicContact OD2-NZ 3.76Å; D191-K199 PolarHBondContact OD2-NZ 3.37Å
192	C	98.5	Very high	97.2	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	19%	0.189	C	C	.	.			trans	-66.9	166.4	167.6	73	0	0	0	0	111.2	A170 L194 I195 K196 L288 I290	A170-C192 HydrophobicContact CB-CB 4.04Å; A170-C192 PolarHBondContact O-N 2.86Å; C192-L194 VanDerWaalsContact C-N 3.28Å; C192-L194 PolarHBondContact O-N 3.36Å; C192-I195 PolarHBondContact O-N 2.92Å; C192-I195 VanDerWaalsContact O-N 3.08Å; C192-K196 PolarHBondContact O-N 2.79Å; C192-L288 WeakPolarHBondContact CB-O 3.4Å; C192-I290 HydrophobicContact CB-CD1 4.13Å
193	V	98.6	Very high	97.4	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.067	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-43	-178.7	171	0	0	0	0	111.5	I195 K196 V197 S286 L288 M327 L330 D331	V193-I195 VanDerWaalsContact C-N 3.31Å; V193-I195 PolarHBondContact O-N 3.25Å; V193-K196 WeakPolarHBondContact O-CB 3.43Å; V193-K196 PolarHBondContact O-N 3.04Å; V193-V197 HydrophobicContact CG1-CG2 4.18Å; V193-V197 WeakPolarHBondContact O-CG2 3.36Å; V193-V197 PolarHBondContact O-N 3.5Å; V193-S286 WeakPolarHBondContact CB-OG 3.46Å; V193-S286 VanDerWaalsContact CG1-CB 3.49Å; V193-L288 HydrophobicContact CG2-CB 3.75Å; V193-L288 PolarHBondContact N-O 3.42Å; V193-L288 VanDerWaalsContact N-O 3.09Å; V193-M327 HydrophobicContact CG1-SD 4.06Å; V193-L330 HydrophobicContact CG1-CB 3.73Å; V193-L330 HydrophobicContact CG1-CD1 4.25Å; V193-L330 HydrophobicContact CG2-CB 4.23Å; V193-D331 HydrophobicContact CG1-CB 4.4Å
194	L	98.7	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-44.5	176.9	175.5	70.1	0	0	0	112.4	I169 C192 V197 L198 I258 L305 L322 M327	I169-L194 HydrophobicContact CD1-CD2 4.21Å; I169-L194 HydrophobicContact CG2-CD2 3.91Å; C192-L194 VanDerWaalsContact C-N 3.28Å; C192-L194 PolarHBondContact O-N 3.36Å; L194-V197 PolarHBondContact O-N 2.98Å; L194-L198 HydrophobicContact CD1-CD1 4.38Å; L194-L198 HydrophobicContact CD1-CG 4.44Å; L194-L198 HydrophobicContact CG-CD1 4.09Å; L194-L198 WeakPolarHBondContact O-CB 3.26Å; L194-L198 WeakPolarHBondContact O-CG 3.3Å; L194-L198 PolarHBondContact O-N 2.97Å; L194-I258 HydrophobicContact CD2-CB 4.29Å; L194-I258 HydrophobicContact CD2-CG1 4.39Å; L194-I258 HydrophobicContact CD2-CG2 3.62Å; L194-L305 HydrophobicContact CB-CD1 4.15Å; L194-L305 HydrophobicContact CD2-CD1 3.9Å; L194-L305 HydrophobicContact CD2-CD2 3.99Å; L194-L305 HydrophobicContact CD2-CG 4.38Å; L194-L322 HydrophobicContact CD1-CD1 3.82Å; L194-L322 HydrophobicContact CD1-CD2 3.93Å; L194-M327 HydrophobicContact CD1-CE 4.5Å
195	I	98.5	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-38.5	-179.2	-63.1	-67.3	0	0	0	111	I165 I169 A170 I171 D191 C192 V193 V197 L198 K199 P205	I165-I195 HydrophobicContact CD1-CD1 3.93Å; I165-I195 HydrophobicContact CG1-CD1 3.98Å; I165-I195 HydrophobicContact CG2-CD1 4.11Å; I169-I195 HydrophobicContact CG2-CD1 4.05Å; I169-I195 HydrophobicContact CG2-CG1 4.02Å; A170-I195 WeakPolarHBondContact O-CG1 3.39Å; I171-I195 HydrophobicContact CD1-CD1 4.08Å; I171-I195 HydrophobicContact CG1-CD1 3.8Å; I171-I195 HydrophobicContact CG1-CG1 3.96Å; D191-I195 HydrophobicContact CB-CB 3.98Å; D191-I195 HydrophobicContact CB-CG2 3.78Å; D191-I195 VanDerWaalsContact CG-CG2 3.43Å; C192-I195 PolarHBondContact O-N 2.92Å; C192-I195 VanDerWaalsContact O-N 3.08Å; V193-I195 VanDerWaalsContact C-N 3.31Å; V193-I195 PolarHBondContact O-N 3.25Å; I195-V197 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 2.95Å; I195-L198 HydrophobicContact CD1-CD1 4.21Å; I195-L198 PolarHBondContact O-N 2.79Å; I195-K199 HydrophobicContact CG2-CD 4.27Å; I195-K199 WeakPolarHBondContact O-CG 3.38Å; I195-K199 PolarHBondContact O-N 3.06Å; I195-P205 HydrophobicContact CD1-CG 4.32Å
196	K	98	Very high	97.7	Very high	75 Å²	75	31.5 Å²	31.5	33%	0.326	16%	0.162	S	C	.	.	H	α-helix	trans	-59.4	-43.8	173	-68.4	169.3	176.3	157.6	0	111.1	E190 D191 C192 V193 K199 S200 L330	E190-K196 IonicContact OE2-NZ 3.16Å; E190-K196 PolarHBondContact OE2-NZ 2.99Å; E190-K196 VanDerWaalsContact OE2-NZ 3.16Å; D191-K196 HydrophobicContact CB-CG 3.87Å; D191-K196 WeakPolarHBondContact O-CE 3.21Å; D191-K196 PolarHBondContact O-NZ 3.39Å; D191-K196 VanDerWaalsContact O-NZ 3.1Å; C192-K196 PolarHBondContact O-N 2.79Å; V193-K196 WeakPolarHBondContact O-CB 3.43Å; V193-K196 PolarHBondContact O-N 3.04Å; K196-K199 PolarHBondContact O-N 3.47Å; K196-S200 PolarHBondContact O-N 2.89Å; K196-L330 HydrophobicContact CB-CD1 3.73Å; K196-L330 HydrophobicContact CD-CD1 4.4Å
197	V	98	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-45.9	177.1	175.2	0	0	0	0	111.7	V193 L194 I195 K199 S200 V201 L322 T326 M327 L330	V193-V197 HydrophobicContact CG1-CG2 4.18Å; V193-V197 WeakPolarHBondContact O-CG2 3.36Å; V193-V197 PolarHBondContact O-N 3.5Å; L194-V197 PolarHBondContact O-N 2.98Å; I195-V197 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 2.95Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 2.86Å; V197-S200 PolarHBondContact O-N 3.45Å; V197-S200 PolarHBondContact O-OG 2.99Å; V197-V201 HydrophobicContact CG1-CG1 4.46Å; V197-V201 WeakPolarHBondContact O-CG2 3.42Å; V197-V201 PolarHBondContact O-N 2.89Å; V197-L322 HydrophobicContact CG1-CD2 3.93Å; V197-T326 HydrophobicContact CG2-CG2 4.24Å; V197-M327 HydrophobicContact CB-CE 4.22Å; V197-M327 HydrophobicContact CG1-CB 4.4Å; V197-M327 HydrophobicContact CG1-CE 4.13Å; V197-M327 HydrophobicContact CG2-CB 3.98Å; V197-M327 HydrophobicContact CG2-CE 4Å; V197-M327 HydrophobicContact CG2-SD 4.22Å; V197-L330 HydrophobicContact CG2-CD1 4.12Å
198	L	98.2	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.6	-45.8	176.5	-79.8	169.5	0	0	0	111.3	L158 I163 I165 L194 I195 V201 G202 A203 I258 L322	L158-L198 HydrophobicContact CD1-CD2 4.01Å; I163-L198 HydrophobicContact CD1-CD1 4.4Å; I163-L198 HydrophobicContact CD1-CD2 3.79Å; I163-L198 HydrophobicContact CG2-CD1 4.34Å; I163-L198 HydrophobicContact CG2-CD2 4.4Å; I165-L198 HydrophobicContact CD1-CD1 3.71Å; L194-L198 HydrophobicContact CD1-CD1 4.38Å; L194-L198 HydrophobicContact CD1-CG 4.44Å; L194-L198 HydrophobicContact CG-CD1 4.09Å; L194-L198 WeakPolarHBondContact O-CB 3.26Å; L194-L198 WeakPolarHBondContact O-CG 3.3Å; L194-L198 PolarHBondContact O-N 2.97Å; I195-L198 HydrophobicContact CD1-CD1 4.21Å; I195-L198 PolarHBondContact O-N 2.79Å; L198-V201 WeakPolarHBondContact O-CG2 3.37Å; L198-V201 PolarHBondContact O-N 3.43Å; L198-G202 PolarHBondContact O-N 2.9Å; L198-A203 HydrophobicContact CB-CB 4.12Å; L198-A203 HydrophobicContact CD2-CB 3.83Å; L198-A203 WeakPolarHBondContact O-CA 3.47Å; L198-A203 VanDerWaalsContact O-CB 3.24Å; L198-A203 WeakPolarHBondContact O-CB 3.42Å; L198-A203 PolarHBondContact O-N 3.45Å; L198-I258 HydrophobicContact CD1-CG1 4.48Å; L198-L322 HydrophobicContact CD2-CD2 3.67Å; L198-L322 HydrophobicContact CG-CD2 3.94Å
199	K	96.2	Very high	97.9	Very high	65 Å²	65	22.7 Å²	22.7	28%	0.283	12%	0.115	S	C	.	.	H	α-helix	trans	-64.9	-37.9	176.3	-69.5	175.8	178.8	178.1	0	112.4	D191 I195 K196 V197 V201 G202	D191-K199 IonicContact OD1-NZ 3.59Å; D191-K199 IonicContact OD2-NZ 3.76Å; D191-K199 PolarHBondContact OD2-NZ 3.37Å; I195-K199 HydrophobicContact CG2-CD 4.27Å; I195-K199 WeakPolarHBondContact O-CG 3.38Å; I195-K199 PolarHBondContact O-N 3.06Å; K196-K199 PolarHBondContact O-N 3.47Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 2.86Å; K199-V201 VanDerWaalsContact C-N 3.32Å; K199-V201 PolarHBondContact O-N 3.3Å; K199-G202 PolarHBondContact O-N 3.42Å
200	S	95.7	Very high	97.9	Very high	23 Å²	23	15.8 Å²	15.8	16%	0.161	8%	0.078	C	C	.	.	H	α-helix	trans	-69.5	-28	179.6	75.4	0	0	0	0	113.4	I152 D153 K196 V197 G202 T326	I152-S200 WeakPolarHBondContact CA-O 3.3Å; D153-S200 PolarHBondContact N-O 3.5Å; K196-S200 PolarHBondContact O-N 2.89Å; V197-S200 PolarHBondContact O-N 3.45Å; V197-S200 PolarHBondContact O-OG 2.99Å; S200-G202 VanDerWaalsContact C-N 3.28Å; S200-T326 WeakPolarHBondContact OG-CG2 3.41Å
201	V	96.5	Very high	97.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.012	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	12	175.2	-53.5	0	0	0	0	113.2	S156 L158 V197 L198 K199 A203 A321	S156-V201 VanDerWaalsContact CB-O 3.24Å; S156-V201 WeakPolarHBondContact CB-O 3.42Å; S156-V201 PolarHBondContact OG-O 3.28Å; L158-V201 HydrophobicContact CB-CG2 4.32Å; L158-V201 HydrophobicContact CD1-CG2 4.44Å; V197-V201 HydrophobicContact CG1-CG1 4.46Å; V197-V201 WeakPolarHBondContact O-CG2 3.42Å; V197-V201 PolarHBondContact O-N 2.89Å; L198-V201 WeakPolarHBondContact O-CG2 3.37Å; L198-V201 PolarHBondContact O-N 3.43Å; K199-V201 VanDerWaalsContact C-N 3.32Å; K199-V201 PolarHBondContact O-N 3.3Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 HydrophobicContact CG2-CB 4.47Å; V201-A203 PolarHBondContact O-N 3.23Å; V201-A321 HydrophobicContact CG2-CB 4.43Å
202	G	96.3	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	9.5	175.4	0	0	0	0	0	115.5	L145 L158 G160 L198 K199 S200	L145-G202 VanDerWaalsContact CD1-O 3.3Å; L145-G202 WeakPolarHBondContact CD1-O 3.44Å; L158-G202 CarbonylContact O-C 3.52Å; G160-G202 PolarHBondContact N-O 2.88Å; L198-G202 PolarHBondContact O-N 2.9Å; K199-G202 PolarHBondContact O-N 3.42Å; S200-G202 VanDerWaalsContact C-N 3.28Å
203	A	98.1	Very high	97.7	Very high	5 Å²	5	9.4 Å²	9.4	4%	0.041	5%	0.047	C	C	.	.			trans	-72.4	151.8	173	0	0	0	0	0	110.8	L158 I163 L198 V201 P205	L158-A203 HydrophobicContact CB-CB 3.87Å; L158-A203 HydrophobicContact CD1-CB 4.36Å; L158-A203 VanDerWaalsContact O-CA 3.31Å; L158-A203 WeakPolarHBondContact O-CA 3.25Å; L158-A203 PolarHBondContact O-N 3.17Å; I163-A203 HydrophobicContact CG2-CB 4.2Å; L198-A203 HydrophobicContact CB-CB 4.12Å; L198-A203 HydrophobicContact CD2-CB 3.83Å; L198-A203 WeakPolarHBondContact O-CA 3.47Å; L198-A203 VanDerWaalsContact O-CB 3.24Å; L198-A203 WeakPolarHBondContact O-CB 3.42Å; L198-A203 PolarHBondContact O-N 3.45Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 HydrophobicContact CG2-CB 4.47Å; V201-A203 PolarHBondContact O-N 3.23Å; A203-P205 WeakPolarHBondContact O-CD 3.39Å
204	I	98.2	Very high	97.6	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	92.2	-175.1	-56.4	155.8	0	0	0	109.2	P109 L113 A138 C141 A142 L145 I161 P162 I163 F206	P109-I204 HydrophobicContact CB-CD1 4.07Å; L113-I204 HydrophobicContact CD1-CG2 4.15Å; L113-I204 HydrophobicContact CD2-CG2 4.41Å; A138-I204 HydrophobicContact CB-CG2 3.87Å; A138-I204 WeakPolarHBondContact O-CG2 3.47Å; C141-I204 HydrophobicContact CB-CG2 4.46Å; A142-I204 HydrophobicContact CB-CD1 3.59Å; A142-I204 HydrophobicContact CB-CG1 4.39Å; L145-I204 HydrophobicContact CD1-CD1 3.95Å; L145-I204 HydrophobicContact CD1-CG1 4.03Å; I161-I204 PolarHBondContact O-N 3.28Å; P162-I204 CarbonylContact C-O 3.56Å; P162-I204 VanDerWaalsContact CA-O 3.26Å; P162-I204 WeakPolarHBondContact CA-O 3.45Å; I163-I204 PolarHBondContact N-O 3.07Å; I204-F206 PolarHBondContact O-N 3.26Å; I204-F206 VanDerWaalsContact O-N 3.08Å
205	P	98.6	Very high	97.4	Very high	7 Å²	7	10.1 Å²	10.1	5%	0.045	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	117.8	166	-26.2	35.9	0	0	0	109.9	I135 I163 I165 I195 A203	I135-P205 HydrophobicContact CD1-CB 3.72Å; I163-P205 HydrophobicContact CG2-CB 4.49Å; I163-P205 HydrophobicContact CG2-CG 4.15Å; I163-P205 WeakPolarHBondContact O-CA 3.39Å; I165-P205 HydrophobicContact CG1-CB 4.1Å; I195-P205 HydrophobicContact CD1-CG 4.32Å; A203-P205 WeakPolarHBondContact O-CD 3.39Å
206	F	98.7	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-22.2	-173.4	81.7	-73.9	0	0	0	115	L113 F116 Q117 A120 I135 A138 P162 I163 I204 G253	L113-F206 HydrophobicContact CD1-CB 3.49Å; L113-F206 VanDerWaalsContact CD1-CB 3.49Å; L113-F206 HydrophobicContact CD1-CD2 4.43Å; L113-F206 HydrophobicContact CD1-CG 4.12Å; F116-F206 HydrophobicContact CB-CE2 4.19Å; F116-F206 HydrophobicContact CB-CZ 4.28Å; Q117-F206 HydrophobicContact CG-CD2 4.06Å; A120-F206 HydrophobicContact CB-CE2 4.19Å; I135-F206 PolarHBondContact N-O 3.42Å; A138-F206 HydrophobicContact CB-CB 3.99Å; P162-F206 HydrophobicContact CB-CB 4.42Å; P162-F206 HydrophobicContact CB-CD1 3.54Å; P162-F206 HydrophobicContact CB-CE1 3.92Å; P162-F206 HydrophobicContact CB-CG 3.98Å; I163-F206 WeakPolarHBondContact O-CD1 3.43Å; I163-F206 PolarHBondContact O-N 2.75Å; I204-F206 PolarHBondContact O-N 3.26Å; I204-F206 VanDerWaalsContact O-N 3.08Å; F206-G253 WeakPolarHBondContact CZ-O 3.32Å
207	V	98.6	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.7	173.5	-69	0	0	0	0	110.3	I131 L133 F134 I165 L248	I131-V207 HydrophobicContact CD1-CG1 4.35Å; I131-V207 HydrophobicContact CG2-CB 4.36Å; I131-V207 HydrophobicContact CG2-CG1 4.28Å; L133-V207 CarbonylContact O-C 3.54Å; L133-V207 VanDerWaalsContact O-CA 3.28Å; L133-V207 WeakPolarHBondContact O-CA 3.44Å; F134-V207 HydrophobicContact CD1-CG1 3.46Å; F134-V207 VanDerWaalsContact CD1-CG1 3.46Å; F134-V207 HydrophobicContact CE1-CG1 3.71Å; F134-V207 HydrophobicContact CG-CG1 4.15Å; I165-V207 PolarHBondContact N-O 3.13Å; V207-L248 HydrophobicContact CG2-CD2 3.72Å
208	T	98.5	Very high	97	Very high	5 Å²	5	9 Å²	9	3%	0.031	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145.1	157.9	59.5	0	0	0	0	110	A132 L133 I135 I165 I171	A132-T208 PolarHBondContact N-O 3.36Å; L133-T208 PolarHBondContact N-O 3.35Å; L133-T208 PolarHBondContact N-OG1 2.87Å; L133-T208 PolarHBondContact O-N 3.16Å; I135-T208 HydrophobicContact CD1-CG2 4.47Å; I165-T208 CarbonylContact O-C 3.58Å; I165-T208 WeakPolarHBondContact O-CA 3.31Å; I171-T208 HydrophobicContact CD1-CG2 3.75Å
209	T	98.6	Very high	96.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	154.5	178.1	64.8	0	0	0	0	112.1	G130 I165 K166 E167 E245 L248	G130-T209 CarbonylContact O-C 3.53Å; G130-T209 VanDerWaalsContact O-CA 3.22Å; G130-T209 WeakPolarHBondContact O-CA 3.3Å; G130-T209 WeakPolarHBondContact O-CB 3.26Å; I165-T209 PolarHBondContact O-N 3.31Å; K166-T209 WeakPolarHBondContact CA-OG1 3.45Å; E167-T209 WeakPolarHBondContact CB-O 3.46Å; E167-T209 PolarHBondContact N-O 2.93Å; T209-E245 VanDerWaalsContact CB-OE1 3.3Å; T209-E245 WeakPolarHBondContact CB-OE1 3.4Å; T209-E245 WeakPolarHBondContact CG2-OE1 3.47Å; T209-E245 VanDerWaalsContact OG1-CD 3.26Å; T209-E245 VanDerWaalsContact OG1-CG 3.3Å; T209-E245 WeakPolarHBondContact OG1-CG 3.24Å; T209-E245 PolarHBondContact OG1-N 3.17Å; T209-E245 PolarHBondContact OG1-OE1 3.35Å; T209-L248 HydrophobicContact CG2-CB 4.47Å; T209-L248 HydrophobicContact CG2-CD2 3.77Å
210	V	97.6	Very high	96.5	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.012	4%	0.041	C	C	.	.			trans	-65.6	142.6	179.6	-54.6	0	0	0	0	111	G130 A132 Y225 A228 G244	G130-V210 PolarHBondContact O-N 3.28Å; A132-V210 HydrophobicContact CB-CG1 4.12Å; V210-Y225 HydrophobicContact CG1-CD2 3.68Å; V210-Y225 HydrophobicContact CG1-CG 3.99Å; V210-A228 HydrophobicContact CG2-CB 3.86Å; V210-G244 WeakPolarHBondContact O-CA 3.34Å; V210-G244 PolarHBondContact O-N 3.39Å
211	T	97.1	Very high	96.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.			trans	-113	157.5	168.5	-172.1	0	0	0	0	109.3	K166 E167 C215 H222 S241	K166-T211 WeakPolarHBondContact CE-OG1 3.33Å; E167-T211 HydrophobicContact CB-CG2 4.17Å; T211-C215 PolarHBondContact OG1-SG 2.96Å; T211-H222 PolarHBondContact O-CD2 3.37Å; T211-S241 WeakPolarHBondContact CA-O 3.46Å; T211-S241 PolarHBondContact OG1-O 3.34Å; T211-S241 VanDerWaalsContact OG1-O 3.04Å
212	T	96.1	Very high	96.3	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.046	C	C	.	.			trans	-70.7	159.6	176.2	75.5	0	0	0	0	111.3	L214 C215 T217 D219 S241	T212-L214 PolarHBondContact O-N 2.98Å; T212-L214 VanDerWaalsContact O-N 3.08Å; T212-C215 WeakPolarHBondContact O-CA 3.33Å; T212-C215 PolarHBondContact O-N 3.45Å; T212-T217 WeakPolarHBondContact CB-OG1 3.38Å; T212-T217 PolarHBondContact OG1-N 3.21Å; T212-T217 PolarHBondContact OG1-O 2.94Å; T212-T217 PolarHBondContact OG1-OG1 3.46Å; T212-D219 WeakPolarHBondContact CG2-O 3.42Å; T212-S241 PolarHBondContact N-O 2.94Å; T212-S241 VanDerWaalsContact N-O 3.16Å; T212-S241 VanDerWaalsContact OG1-CB 3.22Å; T212-S241 WeakPolarHBondContact OG1-CB 3.43Å
213	Q	96.4	Very high	96.2	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-54.5	117.5	-172.8	-170.3	167.4	48.9	0	0	112	I180 C215 R216 L421 P425 I430	I180-Q213 HydrophobicContact CG2-CG 3.87Å; Q213-C215 PolarHBondContact O-N 3.46Å; Q213-C215 VanDerWaalsContact O-N 3.08Å; Q213-R216 PolarHBondContact O-N 3.03Å; Q213-R216 VanDerWaalsContact O-N 3.15Å; Q213-L421 HydrophobicContact CG-CD2 4.33Å; Q213-P425 PolarHBondContact NE2-O 2.82Å; Q213-I430 VanDerWaalsContact OE1-CG2 3.25Å
214	L	96.3	Very high	96.1	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	56.5	15	-174.5	-58.6	178.8	0	0	0	115.4	M178 I180 T212 R216 T293 L417 H420 L421	M178-L214 WeakPolarHBondContact O-CA 3.35Å; M178-L214 PolarHBondContact O-N 3.42Å; I180-L214 HydrophobicContact CB-CD2 4.46Å; I180-L214 HydrophobicContact CD1-CD2 3.72Å; I180-L214 HydrophobicContact CG1-CD2 3.96Å; I180-L214 HydrophobicContact CG2-CD2 3.66Å; I180-L214 HydrophobicContact CG2-CG 3.87Å; T212-L214 PolarHBondContact O-N 2.98Å; T212-L214 VanDerWaalsContact O-N 3.08Å; L214-R216 HydrophobicContact CB-CG 3.99Å; L214-R216 WeakPolarHBondContact O-CG 3.41Å; L214-R216 PolarHBondContact O-N 3.44Å; L214-T293 HydrophobicContact CD2-CG2 3.79Å; L214-T293 PolarHBondContact O-OG1 3.36Å; L214-L417 HydrophobicContact CB-CD1 4.44Å; L214-L417 HydrophobicContact CD1-CD1 3.62Å; L214-H420 HydrophobicContact CD1-CB 3.66Å; L214-H420 HydrophobicContact CD2-CB 3.89Å; L214-H420 HydrophobicContact CG-CB 4.46Å; L214-L421 HydrophobicContact CD1-CD2 3.45Å; L214-L421 VanDerWaalsContact CD1-CD2 3.45Å; L214-L421 HydrophobicContact CD1-CG 3.73Å; L214-L421 HydrophobicContact CG-CD2 4.25Å
215	C	96.1	Very high	96	Very high	24 Å²	24	10.4 Å²	10.4	16%	0.162	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	59.2	31	-171.4	-55	0	0	0	0	113.6	M178 T211 T212 Q213 S241	M178-C215 HydrophobicContact CE-CB 4.48Å; M178-C215 WeakPolarHBondContact CE-SG 3.47Å; T211-C215 PolarHBondContact OG1-SG 2.96Å; T212-C215 WeakPolarHBondContact O-CA 3.33Å; T212-C215 PolarHBondContact O-N 3.45Å; Q213-C215 PolarHBondContact O-N 3.46Å; Q213-C215 VanDerWaalsContact O-N 3.08Å; C215-S241 VanDerWaalsContact CA-CB 3.46Å; C215-S241 WeakPolarHBondContact CB-OG 3.37Å
216	R	94.5	Very high	95.8	Very high	37 Å²	37	12.7 Å²	12.7	14%	0.14	7%	0.067	C	C	.	.			trans	-113.6	2.7	-173.1	-62.1	-51.7	-170.2	159.2	7.3	115	Q213 L214 L417 I430 I433	Q213-R216 PolarHBondContact O-N 3.03Å; Q213-R216 VanDerWaalsContact O-N 3.15Å; L214-R216 HydrophobicContact CB-CG 3.99Å; L214-R216 WeakPolarHBondContact O-CG 3.41Å; L214-R216 PolarHBondContact O-N 3.44Å; R216-L417 HydrophobicContact CG-CD1 3.79Å; R216-I430 HydrophobicContact CB-CD1 3.65Å; R216-I433 WeakPolarHBondContact O-CD1 3.18Å
217	T	94.5	Very high	95.6	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	9%	0.085	C	C	.	.			trans	-132.3	167.1	-176.9	56.6	0	0	0	0	111.1	T212 D219 H429 I430	T212-T217 WeakPolarHBondContact CB-OG1 3.38Å; T212-T217 PolarHBondContact OG1-N 3.21Å; T212-T217 PolarHBondContact OG1-O 2.94Å; T212-T217 PolarHBondContact OG1-OG1 3.46Å; T217-D219 VanDerWaalsContact CB-OD1 3.27Å; T217-D219 WeakPolarHBondContact CB-OD1 3.46Å; T217-D219 PolarHBondContact OG1-OD1 3.45Å; T217-H429 HydrophobicContact CG2-CB 3.87Å; T217-I430 HydrophobicContact CG2-CB 3.87Å; T217-I430 HydrophobicContact CG2-CD1 3.83Å; T217-I430 HydrophobicContact CG2-CG1 4.45Å
218	L	95.5	Very high	95.5	Very high	13 Å²	13	16.2 Å²	16.2	7%	0.068	9%	0.086	C	C	.	.	S	Bend	trans	-108.4	13.5	177.9	-52.8	-178.6	0	0	0	111.8	G239 G240 I268 F506 I520 I524	L218-G239 CarbonylContact O-C 3.42Å; L218-G239 WeakPolarHBondContact O-CA 3.3Å; L218-G239 PolarHBondContact O-N 3.34Å; L218-G240 WeakPolarHBondContact CD2-O 3.42Å; L218-I268 HydrophobicContact CD1-CD1 4.09Å; L218-I268 HydrophobicContact CD1-CG2 4.27Å; L218-I268 HydrophobicContact CD2-CD1 3.82Å; L218-I268 HydrophobicContact CD2-CG2 4.29Å; L218-F506 HydrophobicContact CD1-CE2 3.9Å; L218-F506 HydrophobicContact CD1-CZ 3.88Å; L218-I520 HydrophobicContact CD1-CG2 3.75Å; L218-I520 HydrophobicContact CG-CG2 4.47Å; L218-I524 HydrophobicContact CD1-CG2 4.27Å
219	D	93.6	Very high	95.5	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	-90.1	167.3	-176.3	57.9	12.1	0	0	0	113.3	T212 T217 F221 L237 S427 H429	T212-D219 WeakPolarHBondContact CG2-O 3.42Å; T217-D219 VanDerWaalsContact CB-OD1 3.27Å; T217-D219 WeakPolarHBondContact CB-OD1 3.46Å; T217-D219 PolarHBondContact OG1-OD1 3.45Å; D219-F221 VanDerWaalsContact C-N 3.33Å; D219-L237 HydrophobicContact CB-CD2 4.18Å; D219-S427 WeakPolarHBondContact OD2-CB 3.5Å; D219-S427 PolarHBondContact OD2-OG 3.34Å; D219-H429 WeakPolarHBondContact CB-CD2 3.27Å; D219-H429 WeakPolarHBondContact OD2-CB 3.29Å; D219-H429 IonicContact OD2-CD2 3.28Å; D219-H429 PolarHBondContact OD2-CD2 2.97Å; D219-H429 IonicContact OD2-CG 3.09Å
220	G	91	Very high	95.4	Very high	12 Å²	12	18.3 Å²	18.3	12%	0.124	10%	0.095	C	C	.	.			trans	-86.6	-3.7	174.8	0	0	0	0	0	114.6	H222 D227 A228	G220-H222 PolarHBondContact O-N 2.91Å; G220-D227 CarbonylContact O-C 3.42Å; G220-D227 VanDerWaalsContact O-CA 3.24Å; G220-D227 WeakPolarHBondContact O-CA 3.46Å; G220-A228 WeakPolarHBondContact CA-O 3.4Å; G220-A228 PolarHBondContact O-N 2.88Å
221	F	94.2	Very high	95.4	Very high	52 Å²	52	20 Å²	20	23%	0.228	11%	0.107	C	C	.	.			trans	-65	131.3	-165.9	172.4	-92.9	0	0	0	112.4	D219 V223 D227	D219-F221 VanDerWaalsContact C-N 3.33Å; F221-V223 HydrophobicContact CE1-CB 4.39Å; F221-V223 HydrophobicContact CZ-CB 4.32Å; F221-D227 WeakPolarHBondContact CA-OD1 3.43Å
222	H	94.7	Very high	95.4	Very high	11 Å²	11	24.1 Å²	24.1	5%	0.051	12%	0.124	C	C	.	.			trans	-142	132.2	174.3	-149.6	-71.3	0	0	0	112.4	G179 T211 G220 I224 Y225 D227	G179-H222 WeakPolarHBondContact CA-NE2 3.49Å; T211-H222 PolarHBondContact O-CD2 3.37Å; G220-H222 PolarHBondContact O-N 2.91Å; H222-I224 PolarHBondContact ND1-N 2.86Å; H222-I224 VanDerWaalsContact ND1-N 3.13Å; H222-Y225 AromaticContact CE1-CD2 3.1Å; H222-Y225 WeakPolarHBondContact CE1-CD2 3.4Å; H222-Y225 AromaticContact CE1-CE2 3.57Å; H222-Y225 AromaticContact ND1-CD2 3.55Å; H222-Y225 PolarHBondContact ND1-N 3.01Å; H222-Y225 VanDerWaalsContact ND1-N 3.14Å; H222-Y225 AromaticContact NE2-CD2 3.49Å; H222-Y225 WeakPolarHBondContact NE2-CD2 3.21Å; H222-Y225 AromaticContact NE2-CE2 3.9Å; H222-D227 PolarHBondContact N-OD1 2.85Å
223	V	94.2	Very high	95.4	Very high	23 Å²	23	26.4 Å²	26.4	14%	0.139	14%	0.137	C	C	.	.	S	Bend	trans	-89.3	-25.3	-178.5	68.5	0	0	0	0	113.7	L60 I181 F221 P425	L60-V223 WeakPolarHBondContact CD1-O 3.31Å; L60-V223 HydrophobicContact CD2-CG2 4.31Å; I181-V223 HydrophobicContact CD1-CG1 4.34Å; I181-V223 HydrophobicContact CD1-CG2 3.96Å; I181-V223 HydrophobicContact CG1-CG1 3.78Å; I181-V223 HydrophobicContact CG1-CG2 4.26Å; F221-V223 HydrophobicContact CE1-CB 4.39Å; F221-V223 HydrophobicContact CZ-CB 4.32Å; V223-P425 HydrophobicContact CG2-CB 4.1Å; V223-P425 HydrophobicContact CG2-CG 3.83Å
224	I	95.9	Very high	95.4	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-93.8	-57.2	-175.5	-56.2	156.6	0	0	0	112	L60 K63 T177 I180 C184 H222	L60-I224 HydrophobicContact CD1-CB 4.35Å; L60-I224 HydrophobicContact CD1-CG1 4.09Å; K63-I224 HydrophobicContact CB-CG2 4.4Å; K63-I224 HydrophobicContact CD-CG2 4.46Å; K63-I224 HydrophobicContact CG-CG2 3.42Å; K63-I224 VanDerWaalsContact CG-CG2 3.42Å; T177-I224 HydrophobicContact CG2-CD1 3.98Å; T177-I224 VanDerWaalsContact OG1-CD1 3.29Å; T177-I224 WeakPolarHBondContact OG1-CD1 3.35Å; I180-I224 WeakPolarHBondContact O-CD1 3.36Å; C184-I224 WeakPolarHBondContact SG-CD1 3.44Å; H222-I224 PolarHBondContact ND1-N 2.86Å; H222-I224 VanDerWaalsContact ND1-N 3.13Å
225	Y	95.4	Very high	95.4	Very high	17 Å²	17	34 Å²	34	7%	0.067	18%	0.176	C	C	.	.	S	Bend	trans	-95.2	-169.4	177	-43.4	-70.1	0	0	0	111.1	K63 V67 A132 L133 E167 V210 H222	K63-Y225 VanDerWaalsContact CE-OH 3.28Å; K63-Y225 WeakPolarHBondContact CE-OH 3.49Å; K63-Y225 PolarHBondContact NZ-OH 3.36Å; V67-Y225 HydrophobicContact CG1-CD1 4.18Å; V67-Y225 HydrophobicContact CG2-CD1 3.71Å; V67-Y225 HydrophobicContact CG2-CE1 3.51Å; A132-Y225 HydrophobicContact CB-CD1 4.19Å; A132-Y225 HydrophobicContact CB-CD2 3.8Å; A132-Y225 HydrophobicContact CB-CE1 3.95Å; A132-Y225 HydrophobicContact CB-CE2 3.57Å; A132-Y225 HydrophobicContact CB-CG 4.13Å; A132-Y225 WeakPolarHBondContact O-CD1 3.47Å; A132-Y225 WeakPolarHBondContact O-CE1 3.34Å; L133-Y225 HydrophobicContact CG-CE1 4.34Å; E167-Y225 PolarHBondContact OE1-OH 3.3Å; V210-Y225 HydrophobicContact CG1-CD2 3.68Å; V210-Y225 HydrophobicContact CG1-CG 3.99Å; H222-Y225 AromaticContact CE1-CD2 3.1Å; H222-Y225 WeakPolarHBondContact CE1-CD2 3.4Å; H222-Y225 AromaticContact CE1-CE2 3.57Å; H222-Y225 AromaticContact ND1-CD2 3.55Å; H222-Y225 PolarHBondContact ND1-N 3.01Å; H222-Y225 VanDerWaalsContact ND1-N 3.14Å; H222-Y225 AromaticContact NE2-CD2 3.49Å; H222-Y225 WeakPolarHBondContact NE2-CD2 3.21Å; H222-Y225 AromaticContact NE2-CE2 3.9Å
226	N	94.4	Very high	95.5	Very high	55 Å²	55	33.3 Å²	33.3	29%	0.294	17%	0.17	S	C	.	.			trans	-71.6	151.4	172.2	-68	-17.3	0	0	0	111.4	N127	N127-N226 PolarHBondContact OD1-ND2 3.19Å
227	D	95.1	Very high	95.7	Very high	72 Å²	72	31.7 Å²	31.7	39%	0.385	17%	0.165	S	C	.	.			trans	-61.3	146	169.1	-74.3	-11.4	0	0	0	110.2	G220 F221 H222	G220-D227 CarbonylContact O-C 3.42Å; G220-D227 VanDerWaalsContact O-CA 3.24Å; G220-D227 WeakPolarHBondContact O-CA 3.46Å; F221-D227 WeakPolarHBondContact CA-OD1 3.43Å; H222-D227 PolarHBondContact N-OD1 2.85Å
228	A	96.5	Very high	95.8	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	17%	0.165	C	C	.	.			trans	-89.4	111.9	168.6	0	0	0	0	0	109	V210 G220 P238 V247	V210-A228 HydrophobicContact CG2-CB 3.86Å; G220-A228 WeakPolarHBondContact CA-O 3.4Å; G220-A228 PolarHBondContact O-N 2.88Å; A228-P238 HydrophobicContact CB-CG 4.42Å; A228-P238 VanDerWaalsContact O-CG 3.29Å; A228-P238 WeakPolarHBondContact O-CG 3.28Å; A228-V247 HydrophobicContact CB-CG2 3.98Å
229	E	97	Very high	95.9	Very high	48 Å²	48	31.1 Å²	31.1	22%	0.224	16%	0.161	C	C	.	.			trans	-102.4	141.2	179	-52.9	-175.4	124	0	0	110.6	N128 K234 V247	N128-E229 PolarHBondContact ND2-O 3.02Å; N128-E229 WeakPolarHBondContact OD1-CA 3.32Å; N128-E229 WeakPolarHBondContact OD1-CB 3.32Å; N128-E229 PolarHBondContact OD1-N 2.9Å; N128-E229 PolarHBondContact OD1-O 3.44Å; E229-K234 HydrophobicContact CB-CB 4.42Å; E229-K234 HydrophobicContact CB-CG 4.13Å; E229-K234 VanDerWaalsContact OE2-CD 3.27Å; E229-K234 WeakPolarHBondContact OE2-CD 3.49Å; E229-K234 WeakPolarHBondContact OE2-CE 3.41Å; E229-K234 IonicContact OE2-NZ 3.36Å; E229-K234 PolarHBondContact OE2-NZ 3.43Å; E229-V247 VanDerWaalsContact O-CG2 3.28Å; E229-V247 WeakPolarHBondContact O-CG2 3.46Å
230	N	98	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-57.8	126.9	178.8	-176.7	-53.6	0	0	0	110.4	F232 N233 K234 R236 L237 F272	N230-F232 VanDerWaalsContact C-N 3.29Å; N230-F232 PolarHBondContact O-N 2.77Å; N230-F232 WeakPolarHBondContact OD1-CB 3.21Å; N230-F232 PolarHBondContact OD1-N 2.99Å; N230-N233 WeakPolarHBondContact CB-O 3.44Å; N230-N233 CarbonylContact O-C 3.48Å; N230-N233 VanDerWaalsContact O-C 3.32Å; N230-N233 PolarHBondContact O-N 2.91Å; N230-N233 PolarHBondContact OD1-N 2.84Å; N230-K234 PolarHBondContact O-N 2.86Å; N230-R236 HydrophobicContact CB-CB 4.21Å; N230-R236 WeakPolarHBondContact CB-O 3.31Å; N230-L237 PolarHBondContact ND2-O 3.01Å; N230-F272 PolarHBondContact ND2-O 3Å
231	P	96.5	Very high	96.3	Very high	39 Å²	39	30.4 Å²	30.4	25%	0.253	16%	0.155	S	C	.	.	S	Bend	trans	-72.9	-19.4	-172.4	27.7	-32.7	0	0	0	113.6	A250 Q251 C273	P231-A250 HydrophobicContact CB-CB 4.42Å; P231-A250 HydrophobicContact CG-CB 3.62Å; P231-Q251 HydrophobicContact CB-CG 3.87Å; P231-C273 HydrophobicContact CG-CB 4.32Å
232	F	96.9	Very high	96.5	Very high	85 Å²	85	27.9 Å²	27.9	37%	0.373	14%	0.144	S	C	.	.	S	Bend	trans	-85.6	-33.9	176.1	-67.3	-95.3	0	0	0	111.7	N230 C273 N274 F544 L581 P582	N230-F232 VanDerWaalsContact C-N 3.29Å; N230-F232 PolarHBondContact O-N 2.77Å; N230-F232 WeakPolarHBondContact OD1-CB 3.21Å; N230-F232 PolarHBondContact OD1-N 2.99Å; F232-C273 WeakPolarHBondContact CE2-O 3.45Å; F232-N274 HydrophobicContact CE1-CB 4.23Å; F232-N274 HydrophobicContact CE2-CB 3.62Å; F232-N274 HydrophobicContact CZ-CB 3.35Å; F232-F544 HydrophobicContact CD1-CE1 4.19Å; F232-F544 AromaticContact CE1-CE1 3.74Å; F232-F544 HydrophobicContact CE1-CE1 3.74Å; F232-F544 HydrophobicContact CE1-CZ 4.32Å; F232-L581 HydrophobicContact CB-CD2 4.48Å; F232-P582 HydrophobicContact CD1-CG 4.01Å; F232-P582 HydrophobicContact CD2-CG 3.67Å; F232-P582 HydrophobicContact CE1-CG 4.14Å; F232-P582 HydrophobicContact CE2-CG 3.84Å; F232-P582 HydrophobicContact CG-CG 3.79Å; F232-P582 HydrophobicContact CZ-CG 4.08Å
233	N	96.8	Very high	96.7	Very high	49 Å²	49	27.4 Å²	27.4	26%	0.262	14%	0.142	S	C	.	.			trans	-158.8	110.3	177.3	-173.5	-18.6	0	0	0	111.5	N230 S235 R236 L581	N230-N233 WeakPolarHBondContact CB-O 3.44Å; N230-N233 CarbonylContact O-C 3.48Å; N230-N233 VanDerWaalsContact O-C 3.32Å; N230-N233 PolarHBondContact O-N 2.91Å; N230-N233 PolarHBondContact OD1-N 2.84Å; N233-S235 PolarHBondContact O-N 3.39Å; N233-S235 WeakPolarHBondContact OD1-CB 3.34Å; N233-S235 PolarHBondContact OD1-N 2.85Å; N233-S235 PolarHBondContact OD1-OG 2.84Å; N233-R236 HydrophobicContact CB-CG 3.8Å; N233-R236 WeakPolarHBondContact O-CB 3.32Å; N233-R236 PolarHBondContact O-N 2.79Å; N233-L581 HydrophobicContact CB-CD2 3.94Å
234	K	96.1	Very high	96.9	Very high	109 Å²	109	26.3 Å²	26.3	47%	0.474	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.4	-178.8	-65.3	-179.4	168.2	-128.6	0	115	E229 N230 R236	E229-K234 HydrophobicContact CB-CB 4.42Å; E229-K234 HydrophobicContact CB-CG 4.13Å; E229-K234 VanDerWaalsContact OE2-CD 3.27Å; E229-K234 WeakPolarHBondContact OE2-CD 3.49Å; E229-K234 WeakPolarHBondContact OE2-CE 3.41Å; E229-K234 IonicContact OE2-NZ 3.36Å; E229-K234 PolarHBondContact OE2-NZ 3.43Å; N230-K234 PolarHBondContact O-N 2.86Å; K234-R236 VanDerWaalsContact C-N 3.26Å
235	S	96.6	Very high	97	Very high	53 Å²	53	26 Å²	26	37%	0.371	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.5	171.5	78.4	0	0	0	0	113.1	N233 P512 K513	N233-S235 PolarHBondContact O-N 3.39Å; N233-S235 WeakPolarHBondContact OD1-CB 3.34Å; N233-S235 PolarHBondContact OD1-N 2.85Å; N233-S235 PolarHBondContact OD1-OG 2.84Å; S235-P512 CarbonylContact O-C 3.54Å; S235-P512 WeakPolarHBondContact O-CA 3.4Å; S235-K513 WeakPolarHBondContact O-CG 2.91Å; S235-K513 PolarHBondContact O-N 3.11Å
236	R	98.1	Very high	97.2	Very high	9 Å²	9	25.2 Å²	25.2	3%	0.034	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-108.8	158.9	-177.5	-53.3	-55.3	-172.8	150	-14.4	112.8	N230 N233 K234 A510 P511 P512 L574 D576 G577 G578 L581	N230-R236 HydrophobicContact CB-CB 4.21Å; N230-R236 WeakPolarHBondContact CB-O 3.31Å; N233-R236 HydrophobicContact CB-CG 3.8Å; N233-R236 WeakPolarHBondContact O-CB 3.32Å; N233-R236 PolarHBondContact O-N 2.79Å; K234-R236 VanDerWaalsContact C-N 3.26Å; R236-A510 HydrophobicContact CB-CB 3.9Å; R236-A510 WeakPolarHBondContact CD-O 3.33Å; R236-A510 PolarHBondContact NH1-O 2.95Å; R236-P511 VanDerWaalsContact CA-O 3.29Å; R236-P511 WeakPolarHBondContact CA-O 3.14Å; R236-P512 VanDerWaalsContact NH1-CD 3.25Å; R236-L574 PolarHBondContact NH1-O 3.45Å; R236-D576 PolarHBondContact NH2-O 3.11Å; R236-G577 PolarHBondContact NH2-O 2.98Å; R236-G578 VanDerWaalsContact NH2-N 3.19Å; R236-L581 HydrophobicContact CG-CD1 4.04Å; R236-L581 HydrophobicContact CG-CD2 3.86Å
237	L	98	Very high	97.4	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.117	C	C	.	.			trans	-68.6	139.1	173	-62.2	-174.5	0	0	0	111.3	D219 N230 G239 F272 A510 P511 K513 I520	D219-L237 HydrophobicContact CB-CD2 4.18Å; N230-L237 PolarHBondContact ND2-O 3.01Å; L237-G239 PolarHBondContact O-N 3.22Å; L237-F272 HydrophobicContact CB-CD2 4.48Å; L237-F272 HydrophobicContact CB-CE2 4.46Å; L237-A510 WeakPolarHBondContact O-CB 3.43Å; L237-P511 HydrophobicContact CB-CG 4.48Å; L237-P511 HydrophobicContact CD1-CG 3.77Å; L237-P511 HydrophobicContact CG-CG 4.16Å; L237-P511 PolarHBondContact N-O 3.47Å; L237-K513 HydrophobicContact CD2-CB 3.95Å; L237-I520 HydrophobicContact CD1-CD1 3.79Å
238	P	98	Very high	97.5	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.019	10%	0.098	C	C	.	.			trans	-74.5	-12.6	170.2	34.9	-40.3	0	0	0	112.3	A228 V247 P269 C273	A228-P238 HydrophobicContact CB-CG 4.42Å; A228-P238 VanDerWaalsContact O-CG 3.29Å; A228-P238 WeakPolarHBondContact O-CG 3.28Å; P238-V247 HydrophobicContact CB-CG2 3.94Å; P238-P269 VanDerWaalsContact O-CA 3.32Å; P238-P269 WeakPolarHBondContact O-CA 3.49Å; P238-C273 PolarHBondContact O-SG 3.27Å
239	G	98	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.			trans	82.2	174.1	-168.8	0	0	0	0	0	110.8	L218 L237 S243	L218-G239 CarbonylContact O-C 3.42Å; L218-G239 WeakPolarHBondContact O-CA 3.3Å; L218-G239 PolarHBondContact O-N 3.34Å; L237-G239 PolarHBondContact O-N 3.22Å; G239-S243 WeakPolarHBondContact O-CB 3.21Å
240	G	95.8	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-169.3	174.8	-177.2	0	0	0	0	0	113.8	L218 S265	L218-G240 WeakPolarHBondContact CD2-O 3.42Å; G240-S265 VanDerWaalsContact O-CA 3.26Å; G240-S265 WeakPolarHBondContact O-CA 3.31Å; G240-S265 PolarHBondContact O-OG 3.46Å
241	S	96.9	Very high	97.7	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.106	C	C	.	.	S	Bend	cis	-86.3	-7.2	9.2	52.8	0	0	0	0	115.9	K166 T211 T212 C215 S243 S265	K166-S241 PolarHBondContact NZ-OG 3.43Å; T211-S241 WeakPolarHBondContact CA-O 3.46Å; T211-S241 PolarHBondContact OG1-O 3.34Å; T211-S241 VanDerWaalsContact OG1-O 3.04Å; T212-S241 PolarHBondContact N-O 2.94Å; T212-S241 VanDerWaalsContact N-O 3.16Å; T212-S241 VanDerWaalsContact OG1-CB 3.22Å; T212-S241 WeakPolarHBondContact OG1-CB 3.43Å; C215-S241 VanDerWaalsContact CA-CB 3.46Å; C215-S241 WeakPolarHBondContact CB-OG 3.37Å; S241-S243 PolarHBondContact O-N 3.08Å; S241-S265 PolarHBondContact N-OG 3.06Å; S241-S265 VanDerWaalsContact OG-CB 3.24Å; S241-S265 WeakPolarHBondContact OG-CB 3.47Å; S241-S265 PolarHBondContact OG-OG 3.14Å
242	S	98.6	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-83	46.9	178.2	-39.4	0	0	0	0	111.8	K166 A246 T260 S265	K166-S242 WeakPolarHBondContact CD-OG 3.16Å; K166-S242 WeakPolarHBondContact CE-OG 3.27Å; K166-S242 PolarHBondContact NZ-OG 2.89Å; S242-A246 PolarHBondContact O-N 3.39Å; S242-T260 PolarHBondContact OG-N 3.25Å; S242-T260 PolarHBondContact OG-O 2.78Å; S242-S265 WeakPolarHBondContact CB-O 3.35Å; S242-S265 PolarHBondContact N-O 3.36Å; S242-S265 VanDerWaalsContact N-O 3.15Å; S242-S265 PolarHBondContact OG-O 2.79Å
243	S	97.9	Very high	97.8	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-44.6	-175	52.6	0	0	0	0	112.1	G239 S241 A246 V247	G239-S243 WeakPolarHBondContact O-CB 3.21Å; S241-S243 PolarHBondContact O-N 3.08Å; S243-A246 PolarHBondContact O-N 3.12Å; S243-V247 WeakPolarHBondContact O-CG2 3.26Å; S243-V247 PolarHBondContact O-N 2.59Å
244	G	98.3	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.3	-44.5	179.5	0	0	0	0	0	113.3	G130 V210 A246 V247 L248	G130-G244 VanDerWaalsContact O-CA 3.31Å; G130-G244 WeakPolarHBondContact O-CA 3.29Å; V210-G244 WeakPolarHBondContact O-CA 3.34Å; V210-G244 PolarHBondContact O-N 3.39Å; G244-A246 VanDerWaalsContact C-N 3.32Å; G244-A246 PolarHBondContact O-N 3.09Å; G244-V247 PolarHBondContact O-N 3.18Å; G244-L248 WeakPolarHBondContact O-CB 3.46Å; G244-L248 PolarHBondContact O-N 3.46Å
245	E	98.8	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-54.9	-48.9	173.3	-73.1	-58.2	126	0	0	111.1	S164 I165 K166 T209 L248 L249 G257 M308	S164-E245 WeakPolarHBondContact CB-OE2 3.4Å; S164-E245 PolarHBondContact OG-OE2 3.05Å; I165-E245 PolarHBondContact N-OE1 3.18Å; K166-E245 HydrophobicContact CB-CG 3.96Å; K166-E245 PolarHBondContact N-OE1 2.88Å; K166-E245 VanDerWaalsContact N-OE1 3.08Å; T209-E245 VanDerWaalsContact CB-OE1 3.3Å; T209-E245 WeakPolarHBondContact CB-OE1 3.4Å; T209-E245 WeakPolarHBondContact CG2-OE1 3.47Å; T209-E245 VanDerWaalsContact OG1-CD 3.26Å; T209-E245 VanDerWaalsContact OG1-CG 3.3Å; T209-E245 WeakPolarHBondContact OG1-CG 3.24Å; T209-E245 PolarHBondContact OG1-N 3.17Å; T209-E245 PolarHBondContact OG1-OE1 3.35Å; E245-L248 PolarHBondContact O-N 2.76Å; E245-L249 HydrophobicContact CB-CD1 4.49Å; E245-L249 VanDerWaalsContact O-CB 3.31Å; E245-L249 WeakPolarHBondContact O-CB 3.33Å; E245-L249 WeakPolarHBondContact O-CD1 3.46Å; E245-L249 WeakPolarHBondContact O-CG 3.43Å; E245-L249 PolarHBondContact O-N 3.41Å; E245-G257 WeakPolarHBondContact OE2-CA 3.42Å; E245-M308 HydrophobicContact CB-CE 3.73Å; E245-M308 HydrophobicContact CB-SD 3.66Å; E245-M308 HydrophobicContact CG-SD 4.16Å
246	A	98.7	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66	-42.4	-177.2	0	0	0	0	0	112.8	S242 S243 G244 L248 A250 P269 C273 L275 M308	S242-A246 PolarHBondContact O-N 3.39Å; S243-A246 PolarHBondContact O-N 3.12Å; G244-A246 VanDerWaalsContact C-N 3.32Å; G244-A246 PolarHBondContact O-N 3.09Å; A246-L248 VanDerWaalsContact C-N 3.35Å; A246-L248 PolarHBondContact O-N 3.12Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 3.15Å; A246-P269 HydrophobicContact CB-CB 3.7Å; A246-C273 HydrophobicContact CB-CB 3.91Å; A246-L275 HydrophobicContact CB-CD1 3.88Å; A246-L275 WeakPolarHBondContact O-CD1 3.45Å; A246-M308 HydrophobicContact CB-CE 3.9Å
247	V	98.5	Very high	98.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.1	-41.7	176.5	171.4	0	0	0	0	111.4	N128 A228 E229 P238 S243 G244 Q251	N128-V247 WeakPolarHBondContact O-CG1 3.27Å; A228-V247 HydrophobicContact CB-CG2 3.98Å; E229-V247 VanDerWaalsContact O-CG2 3.28Å; E229-V247 WeakPolarHBondContact O-CG2 3.46Å; P238-V247 HydrophobicContact CB-CG2 3.94Å; S243-V247 WeakPolarHBondContact O-CG2 3.26Å; S243-V247 PolarHBondContact O-N 2.59Å; G244-V247 PolarHBondContact O-N 3.18Å; V247-Q251 VanDerWaalsContact CG1-NE2 3.25Å; V247-Q251 WeakPolarHBondContact O-CG 3.41Å; V247-Q251 PolarHBondContact O-N 2.98Å; V247-Q251 PolarHBondContact O-NE2 3.33Å
248	L	98.7	Very high	98.2	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.8	-48.7	179.5	-175.1	67.4	0	0	0	111.7	L123 S129 I131 V207 T209 G244 E245 A246 Q251 C252 G253	L123-L248 HydrophobicContact CD1-CD1 4.06Å; S129-L248 WeakPolarHBondContact O-CB 3.21Å; S129-L248 WeakPolarHBondContact O-CD1 3.47Å; I131-L248 HydrophobicContact CD1-CD1 3.97Å; I131-L248 HydrophobicContact CG1-CD1 3.92Å; I131-L248 HydrophobicContact CG1-CD2 4.39Å; V207-L248 HydrophobicContact CG2-CD2 3.72Å; T209-L248 HydrophobicContact CG2-CB 4.47Å; T209-L248 HydrophobicContact CG2-CD2 3.77Å; G244-L248 WeakPolarHBondContact O-CB 3.46Å; G244-L248 PolarHBondContact O-N 3.46Å; E245-L248 PolarHBondContact O-N 2.76Å; A246-L248 VanDerWaalsContact C-N 3.35Å; A246-L248 PolarHBondContact O-N 3.12Å; L248-Q251 PolarHBondContact O-N 2.95Å; L248-C252 PolarHBondContact O-N 2.9Å; L248-G253 WeakPolarHBondContact O-CA 3.5Å; L248-G253 PolarHBondContact O-N 3.08Å
249	L	98.7	Very high	98.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.9	-43	-177.4	-72.4	166.4	0	0	0	112.5	E245 Q251 C252 L275 M308	E245-L249 HydrophobicContact CB-CD1 4.49Å; E245-L249 VanDerWaalsContact O-CB 3.31Å; E245-L249 WeakPolarHBondContact O-CB 3.33Å; E245-L249 WeakPolarHBondContact O-CD1 3.46Å; E245-L249 WeakPolarHBondContact O-CG 3.43Å; E245-L249 PolarHBondContact O-N 3.41Å; L249-Q251 PolarHBondContact O-N 2.97Å; L249-C252 PolarHBondContact O-N 2.85Å; L249-L275 HydrophobicContact CB-CD1 3.75Å; L249-L275 HydrophobicContact CB-CD2 3.95Å; L249-L275 HydrophobicContact CD1-CD1 4.29Å; L249-M308 HydrophobicContact CD1-CB 3.43Å; L249-M308 VanDerWaalsContact CD1-CB 3.43Å; L249-M308 WeakPolarHBondContact CD1-O 3.29Å
250	A	98.2	Very high	98.2	Very high	27 Å²	27	5.5 Å²	5.5	22%	0.223	3%	0.034	C	C	.	.	H	α-helix	trans	-64.9	-25.4	179.4	0	0	0	0	0	112.7	P231 A246 C273 L275	P231-A250 HydrophobicContact CB-CB 4.42Å; P231-A250 HydrophobicContact CG-CB 3.62Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 3.15Å; A250-C273 HydrophobicContact CB-CB 4.16Å; A250-C273 WeakPolarHBondContact CB-O 3.44Å; A250-L275 HydrophobicContact CB-CD1 4.46Å; A250-L275 HydrophobicContact CB-CD2 4.32Å; A250-L275 HydrophobicContact CB-CG 4.45Å
251	Q	97.7	Very high	98.3	Very high	39 Å²	39	5.5 Å²	5.5	18%	0.182	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	15.4	175.4	-65.7	178.6	100	0	0	113.1	R119 L123 N128 P231 V247 L248 L249 G253	R119-Q251 PolarHBondContact NE-O 3.39Å; R119-Q251 PolarHBondContact NH2-O 3.23Å; L123-Q251 HydrophobicContact CD1-CB 3.74Å; L123-Q251 HydrophobicContact CD2-CB 3.86Å; L123-Q251 HydrophobicContact CD2-CG 4.43Å; L123-Q251 HydrophobicContact CG-CB 4.48Å; N128-Q251 PolarHBondContact O-NE2 2.96Å; P231-Q251 HydrophobicContact CB-CG 3.87Å; V247-Q251 VanDerWaalsContact CG1-NE2 3.25Å; V247-Q251 WeakPolarHBondContact O-CG 3.41Å; V247-Q251 PolarHBondContact O-N 2.98Å; V247-Q251 PolarHBondContact O-NE2 3.33Å; L248-Q251 PolarHBondContact O-N 2.95Å; L249-Q251 PolarHBondContact O-N 2.97Å; Q251-G253 PolarHBondContact O-N 3.47Å
252	C	97.8	Very high	98.4	Very high	22 Å²	22	6.8 Å²	6.8	15%	0.149	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	24.8	-179	-55.1	0	0	0	0	113.8	C91 R119 L248 L249 S254	C91-C252 HydrophobicContact CB-CB 4.46Å; C91-C252 WeakPolarHBondContact O-CB 3.42Å; R119-C252 WeakPolarHBondContact CG-O 3.19Å; L248-C252 PolarHBondContact O-N 2.9Å; L249-C252 PolarHBondContact O-N 2.85Å; C252-S254 VanDerWaalsContact C-N 3.27Å; C252-S254 PolarHBondContact O-N 2.82Å
253	G	98.1	Very high	98.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-77.6	-12.4	178.1	0	0	0	0	0	114.2	F206 L248 Q251	F206-G253 WeakPolarHBondContact CZ-O 3.32Å; L248-G253 WeakPolarHBondContact O-CA 3.5Å; L248-G253 PolarHBondContact O-N 3.08Å; Q251-G253 PolarHBondContact O-N 3.47Å
254	S	98.6	Very high	98.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.			trans	-148.1	149.5	173.8	-174	0	0	0	0	108.8	S164 C252 V256 R310	S164-S254 PolarHBondContact N-OG 2.78Å; S164-S254 WeakPolarHBondContact OG-CB 3.5Å; S164-S254 PolarHBondContact OG-OG 2.68Å; S164-S254 VanDerWaalsContact OG-OG 3.13Å; C252-S254 VanDerWaalsContact C-N 3.27Å; C252-S254 PolarHBondContact O-N 2.82Å; S254-V256 PolarHBondContact OG-O 2.89Å; S254-R310 PolarHBondContact O-NH1 3.42Å
255	P	98.1	Very high	98.3	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.013	5%	0.049	C	C	.	.	S	Bend	trans	-75.6	-40.1	173	28.5	-30	0	0	0	111.3	L98 F116 I161 P162	L98-P255 HydrophobicContact CD1-CB 3.94Å; L98-P255 HydrophobicContact CD1-CG 4.49Å; F116-P255 HydrophobicContact CE1-CB 4.33Å; F116-P255 VanDerWaalsContact CE1-CD 3.49Å; F116-P255 HydrophobicContact CE1-CG 4.31Å; F116-P255 HydrophobicContact CE2-CB 4.28Å; F116-P255 HydrophobicContact CE2-CG 3.97Å; F116-P255 HydrophobicContact CZ-CB 3.76Å; F116-P255 HydrophobicContact CZ-CG 3.84Å; I161-P255 HydrophobicContact CG2-CG 3.82Å; P162-P255 VanDerWaalsContact O-CD 3.29Å; P162-P255 WeakPolarHBondContact O-CD 3.48Å; P162-P255 WeakPolarHBondContact O-CG 3.49Å
256	V	98.8	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.7	-179.7	-68.9	0	0	0	0	110.7	L95 L158 I161 I163 S164 S254 A309 D314 V318	L95-V256 HydrophobicContact CD2-CG1 3.99Å; L158-V256 HydrophobicContact CD2-CG2 4.33Å; I161-V256 HydrophobicContact CG2-CG2 4.31Å; I163-V256 HydrophobicContact CB-CG2 4.34Å; I163-V256 HydrophobicContact CD1-CG2 3.96Å; I163-V256 HydrophobicContact CG1-CG2 4.02Å; S164-V256 PolarHBondContact N-O 3.09Å; S164-V256 VanDerWaalsContact N-O 3.16Å; S164-V256 PolarHBondContact OG-O 3.27Å; S254-V256 PolarHBondContact OG-O 2.89Å; V256-A309 HydrophobicContact CG1-CB 4.05Å; V256-D314 HydrophobicContact CG1-CB 3.97Å; V256-V318 HydrophobicContact CB-CG2 3.93Å; V256-V318 HydrophobicContact CG1-CG2 3.85Å; V256-V318 HydrophobicContact CG2-CG2 4.03Å
257	G	98.8	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.1	-177.7	0	0	0	0	0	112.9	S164 E245 P307 M308	S164-G257 VanDerWaalsContact O-CA 3.31Å; S164-G257 WeakPolarHBondContact O-CA 3.37Å; S164-G257 WeakPolarHBondContact OG-CA 3.42Å; E245-G257 WeakPolarHBondContact OE2-CA 3.42Å; G257-P307 CarbonylContact O-C 3.57Å; G257-P307 WeakPolarHBondContact O-CA 3.47Å; G257-M308 PolarHBondContact N-O 3.36Å; G257-M308 PolarHBondContact O-N 3.27Å
258	I	98.9	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122	173.7	-49.8	-66.3	0	0	0	110.7	I163 S164 I165 K166 I169 L194 L198 L305 P307 V318 L322	I163-I258 HydrophobicContact CD1-CD1 3.91Å; I163-I258 HydrophobicContact CD1-CG1 3.72Å; I163-I258 HydrophobicContact CG1-CG1 4.35Å; S164-I258 PolarHBondContact O-N 3.02Å; I165-I258 HydrophobicContact CD1-CB 4.27Å; I165-I258 HydrophobicContact CD1-CG1 4.08Å; K166-I258 VanDerWaalsContact CB-O 3.22Å; K166-I258 WeakPolarHBondContact CB-O 3.39Å; K166-I258 PolarHBondContact N-O 3.34Å; I169-I258 HydrophobicContact CD1-CB 4.04Å; I169-I258 HydrophobicContact CD1-CG2 3.75Å; I169-I258 WeakPolarHBondContact CD1-O 3.37Å; L194-I258 HydrophobicContact CD2-CB 4.29Å; L194-I258 HydrophobicContact CD2-CG1 4.39Å; L194-I258 HydrophobicContact CD2-CG2 3.62Å; L198-I258 HydrophobicContact CD1-CG1 4.48Å; I258-L305 HydrophobicContact CG2-CB 4.39Å; I258-L305 HydrophobicContact CG2-CD2 4.24Å; I258-P307 HydrophobicContact CD1-CB 4.48Å; I258-V318 HydrophobicContact CD1-CG1 3.8Å; I258-L322 HydrophobicContact CD1-CD1 4.21Å
259	G	98.6	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-176.9	174.4	0	0	0	0	0	113.4	L305 G306	G259-L305 WeakPolarHBondContact O-CA 3.45Å; G259-G306 PolarHBondContact N-O 2.89Å; G259-G306 PolarHBondContact O-N 2.78Å
260	T	98.2	Very high	98.4	Very high	23 Å²	23	7.9 Å²	7.9	14%	0.141	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.6	170.1	56.2	0	0	0	0	110.8	K166 I169 S242 S265 C304 L305	K166-T260 WeakPolarHBondContact CE-OG1 3.33Å; K166-T260 PolarHBondContact NZ-O 3.04Å; K166-T260 PolarHBondContact NZ-OG1 2.88Å; I169-T260 HydrophobicContact CG1-CG2 4.26Å; S242-T260 PolarHBondContact OG-N 3.25Å; S242-T260 PolarHBondContact OG-O 2.78Å; T260-S265 CarbonylContact O-C 3.58Å; T260-S265 VanDerWaalsContact O-C 3.32Å; T260-S265 WeakPolarHBondContact O-CB 3.47Å; T260-C304 CarbonylContact C-O 3.34Å; T260-C304 VanDerWaalsContact CA-O 3.26Å; T260-C304 WeakPolarHBondContact CA-O 3.42Å; T260-L305 HydrophobicContact CG2-CD2 3.5Å; T260-L305 HydrophobicContact CG2-CG 4.43Å
261	D	98.5	Very high	98.4	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	114.7	-174.9	-171.8	-39.7	0	0	0	112.4	A263 G264 S265 I266 R267 K279 P303 C304 N531	D261-A263 PolarHBondContact OD1-N 3.44Å; D261-G264 WeakPolarHBondContact OD1-CA 3.46Å; D261-G264 PolarHBondContact OD1-N 3.23Å; D261-G264 WeakPolarHBondContact OD2-CA 3.45Å; D261-S265 VanDerWaalsContact CG-N 3.29Å; D261-S265 PolarHBondContact OD2-N 3.04Å; D261-S265 VanDerWaalsContact OD2-N 3.16Å; D261-I266 HydrophobicContact CB-CB 3.99Å; D261-I266 HydrophobicContact CB-CD1 3.79Å; D261-I266 HydrophobicContact CB-CG1 3.9Å; D261-I266 PolarHBondContact OD2-N 3.28Å; D261-I266 VanDerWaalsContact OD2-N 3.14Å; D261-R267 IonicContact OD1-CZ 2.62Å; D261-R267 IonicContact OD1-NE 2.66Å; D261-R267 IonicContact OD1-NH2 3.7Å; D261-R267 PolarHBondContact OD1-NH2 2.86Å; D261-R267 IonicContact OD2-CZ 3.58Å; D261-R267 IonicContact OD2-NE 3.64Å; D261-R267 PolarHBondContact OD2-NE 2.86Å; D261-R267 IonicContact OD2-NH2 2.86Å; D261-R267 PolarHBondContact OD2-NH2 3.06Å; D261-K279 HydrophobicContact CB-CB 4.12Å; D261-K279 HydrophobicContact CB-CG 3.89Å; D261-P303 CarbonylContact O-C 3.58Å; D261-C304 PolarHBondContact N-O 3.44Å; D261-C304 PolarHBondContact O-N 3.38Å; D261-N531 PolarHBondContact OD1-ND2 3.05Å
262	I	97.3	Very high	98.4	Very high	28 Å²	28	5.2 Å²	5.2	14%	0.144	3%	0.033	C	C	.	.	S	Bend	trans	-118.2	-13.2	170.3	-161.1	168.3	0	0	0	113.1	V298 I301 P303 L409 F528 N531	I262-V298 HydrophobicContact CD1-CG1 4.1Å; I262-I301 HydrophobicContact CG1-CG2 4.01Å; I262-P303 HydrophobicContact CB-CB 4.08Å; I262-P303 HydrophobicContact CD1-CB 4.21Å; I262-P303 HydrophobicContact CG1-CB 4.32Å; I262-L409 HydrophobicContact CD1-CD1 4.08Å; I262-L409 HydrophobicContact CG1-CD1 4.39Å; I262-F528 WeakPolarHBondContact O-CD2 3.33Å; I262-N531 WeakPolarHBondContact CA-ND2 3.27Å; I262-N531 VanDerWaalsContact O-CB 3.29Å; I262-N531 WeakPolarHBondContact O-CB 3.42Å; I262-N531 PolarHBondContact O-ND2 3.4Å
263	A	97.3	Very high	98.5	Very high	14 Å²	14	4.1 Å²	4.1	12%	0.116	3%	0.026	C	C	.	.	S	Bend	trans	-154.6	25.7	-178.1	0	0	0	0	0	112.7	D261 T527 F528 N531	D261-A263 PolarHBondContact OD1-N 3.44Å; A263-T527 PolarHBondContact O-OG1 3.07Å; A263-F528 HydrophobicContact CB-CB 4.3Å; A263-F528 HydrophobicContact CB-CD2 3.76Å; A263-F528 HydrophobicContact CB-CE2 4.36Å; A263-F528 HydrophobicContact CB-CG 4.18Å; A263-N531 WeakPolarHBondContact CA-OD1 3.36Å
264	G	98.2	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	105.3	12.9	-175	0	0	0	0	0	114.7	D261 I266 R267 I268 T527	D261-G264 WeakPolarHBondContact OD1-CA 3.46Å; D261-G264 PolarHBondContact OD1-N 3.23Å; D261-G264 WeakPolarHBondContact OD2-CA 3.45Å; G264-I266 PolarHBondContact O-N 3.46Å; G264-I266 VanDerWaalsContact O-N 3.13Å; G264-R267 VanDerWaalsContact N-NH2 3.19Å; G264-R267 PolarHBondContact O-N 2.84Å; G264-R267 VanDerWaalsContact O-N 3.17Å; G264-I268 WeakPolarHBondContact O-CB 3.03Å; G264-I268 VanDerWaalsContact O-CG1 3.3Å; G264-I268 WeakPolarHBondContact O-CG1 3.43Å; G264-I268 PolarHBondContact O-N 2.99Å; G264-T527 VanDerWaalsContact CA-CB 3.48Å; G264-T527 WeakPolarHBondContact CA-OG1 3.44Å
265	S	98.3	Very high	98.5	Very high	9 Å²	9	6.4 Å²	6.4	6%	0.063	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.2	-172.1	-70.2	0	0	0	0	116.6	G240 S241 S242 T260 D261 P269	G240-S265 VanDerWaalsContact O-CA 3.26Å; G240-S265 WeakPolarHBondContact O-CA 3.31Å; G240-S265 PolarHBondContact O-OG 3.46Å; S241-S265 PolarHBondContact N-OG 3.06Å; S241-S265 VanDerWaalsContact OG-CB 3.24Å; S241-S265 WeakPolarHBondContact OG-CB 3.47Å; S241-S265 PolarHBondContact OG-OG 3.14Å; S242-S265 WeakPolarHBondContact CB-O 3.35Å; S242-S265 PolarHBondContact N-O 3.36Å; S242-S265 VanDerWaalsContact N-O 3.15Å; S242-S265 PolarHBondContact OG-O 2.79Å; T260-S265 CarbonylContact O-C 3.58Å; T260-S265 VanDerWaalsContact O-C 3.32Å; T260-S265 WeakPolarHBondContact O-CB 3.47Å; D261-S265 VanDerWaalsContact CG-N 3.29Å; D261-S265 PolarHBondContact OD2-N 3.04Å; D261-S265 VanDerWaalsContact OD2-N 3.16Å; S265-P269 VanDerWaalsContact O-CG 3.24Å; S265-P269 WeakPolarHBondContact O-CG 3.42Å
266	I	98.9	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-50.4	163.2	-74.3	163.6	0	0	0	109.5	D261 G264 I268 P269 C270 M308	D261-I266 HydrophobicContact CB-CB 3.99Å; D261-I266 HydrophobicContact CB-CD1 3.79Å; D261-I266 HydrophobicContact CB-CG1 3.9Å; D261-I266 PolarHBondContact OD2-N 3.28Å; D261-I266 VanDerWaalsContact OD2-N 3.14Å; G264-I266 PolarHBondContact O-N 3.46Å; G264-I266 VanDerWaalsContact O-N 3.13Å; I266-I268 PolarHBondContact O-N 3.01Å; I266-P269 VanDerWaalsContact O-CD 3.27Å; I266-P269 WeakPolarHBondContact O-CD 3.28Å; I266-P269 WeakPolarHBondContact O-CG 3.44Å; I266-C270 WeakPolarHBondContact O-CB 3.26Å; I266-C270 PolarHBondContact O-N 3.46Å; I266-C270 VanDerWaalsContact O-N 3.13Å; I266-C270 PolarHBondContact O-SG 2.63Å; I266-M308 HydrophobicContact CG1-CG 4.43Å; I266-M308 HydrophobicContact CG1-SD 4.29Å; I266-M308 HydrophobicContact CG2-CG 3.77Å; I266-M308 HydrophobicContact CG2-SD 4.4Å
267	R	98.9	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.8	-42.3	-170.6	-69.2	165.6	-73.5	162.4	0	113.8	D261 G264 A271 V505 T527 N531 A537 A539	D261-R267 IonicContact OD1-CZ 2.62Å; D261-R267 IonicContact OD1-NE 2.66Å; D261-R267 IonicContact OD1-NH2 3.7Å; D261-R267 PolarHBondContact OD1-NH2 2.86Å; D261-R267 IonicContact OD2-CZ 3.58Å; D261-R267 IonicContact OD2-NE 3.64Å; D261-R267 PolarHBondContact OD2-NE 2.86Å; D261-R267 IonicContact OD2-NH2 2.86Å; D261-R267 PolarHBondContact OD2-NH2 3.06Å; G264-R267 VanDerWaalsContact N-NH2 3.19Å; G264-R267 PolarHBondContact O-N 2.84Å; G264-R267 VanDerWaalsContact O-N 3.17Å; R267-A271 WeakPolarHBondContact O-CB 3.35Å; R267-A271 PolarHBondContact O-N 2.95Å; R267-V505 HydrophobicContact CB-CG1 4.02Å; R267-T527 HydrophobicContact CB-CG2 3.98Å; R267-T527 PolarHBondContact NH1-O 3Å; R267-T527 PolarHBondContact NH2-O 3.29Å; R267-N531 PolarHBondContact NH2-OD1 2.97Å; R267-A537 WeakPolarHBondContact CD-O 3.41Å; R267-A539 HydrophobicContact CB-CB 4.01Å; R267-A539 HydrophobicContact CG-CB 4.23Å; R267-A539 WeakPolarHBondContact O-CB 3.15Å
268	I	98.9	Very high	98.5	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-65.5	-53.7	-179.4	-61.7	167.6	0	0	0	111.6	L218 G264 I266 C270 A271 F272 F506 T527	L218-I268 HydrophobicContact CD1-CD1 4.09Å; L218-I268 HydrophobicContact CD1-CG2 4.27Å; L218-I268 HydrophobicContact CD2-CD1 3.82Å; L218-I268 HydrophobicContact CD2-CG2 4.29Å; G264-I268 WeakPolarHBondContact O-CB 3.03Å; G264-I268 VanDerWaalsContact O-CG1 3.3Å; G264-I268 WeakPolarHBondContact O-CG1 3.43Å; G264-I268 PolarHBondContact O-N 2.99Å; I266-I268 PolarHBondContact O-N 3.01Å; I268-C270 VanDerWaalsContact C-N 3.27Å; I268-C270 PolarHBondContact O-N 3.37Å; I268-A271 WeakPolarHBondContact O-CB 3.29Å; I268-A271 PolarHBondContact O-N 3.44Å; I268-A271 VanDerWaalsContact O-N 3.15Å; I268-F272 HydrophobicContact CG2-CD2 4.23Å; I268-F272 HydrophobicContact CG2-CE1 4.25Å; I268-F272 HydrophobicContact CG2-CE2 3.87Å; I268-F272 HydrophobicContact CG2-CZ 3.88Å; I268-F272 PolarHBondContact O-N 3.31Å; I268-F506 HydrophobicContact CD1-CD2 4.27Å; I268-F506 HydrophobicContact CD1-CE2 4.06Å; I268-F506 HydrophobicContact CG1-CD2 4.14Å; I268-F506 HydrophobicContact CG1-CE2 4.39Å; I268-F506 HydrophobicContact CG2-CD2 4.38Å; I268-F506 HydrophobicContact CG2-CE2 4.4Å; I268-T527 HydrophobicContact CG1-CG2 4.04Å
269	P	98.8	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.8	-31.9	178.5	25	-33.2	0	0	0	112.4	P238 A246 S265 I266 F272 C273 M308	P238-P269 VanDerWaalsContact O-CA 3.32Å; P238-P269 WeakPolarHBondContact O-CA 3.49Å; A246-P269 HydrophobicContact CB-CB 3.7Å; S265-P269 VanDerWaalsContact O-CG 3.24Å; S265-P269 WeakPolarHBondContact O-CG 3.42Å; I266-P269 VanDerWaalsContact O-CD 3.27Å; I266-P269 WeakPolarHBondContact O-CD 3.28Å; I266-P269 WeakPolarHBondContact O-CG 3.44Å; P269-F272 PolarHBondContact O-N 3.41Å; P269-C273 VanDerWaalsContact O-CB 3.3Å; P269-C273 WeakPolarHBondContact O-CB 3.48Å; P269-C273 PolarHBondContact O-N 2.85Å; P269-C273 PolarHBondContact O-SG 3.28Å; P269-M308 HydrophobicContact CG-CE 4.3Å
270	C	98.9	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.5	-45.6	170.5	-74.7	0	0	0	0	112.5	I266 I268 F272 C273 N274 L275 A276 M308 A539	I266-C270 WeakPolarHBondContact O-CB 3.26Å; I266-C270 PolarHBondContact O-N 3.46Å; I266-C270 VanDerWaalsContact O-N 3.13Å; I266-C270 PolarHBondContact O-SG 2.63Å; I268-C270 VanDerWaalsContact C-N 3.27Å; I268-C270 PolarHBondContact O-N 3.37Å; C270-F272 VanDerWaalsContact C-N 3.3Å; C270-F272 PolarHBondContact O-N 3.03Å; C270-C273 PolarHBondContact O-N 2.87Å; C270-N274 PolarHBondContact O-N 2.99Å; C270-N274 VanDerWaalsContact O-N 3.15Å; C270-L275 HydrophobicContact CB-CB 3.96Å; C270-L275 WeakPolarHBondContact CB-O 3.38Å; C270-L275 PolarHBondContact O-N 3.06Å; C270-A276 PolarHBondContact SG-O 3.47Å; C270-A276 VanDerWaalsContact SG-O 3.35Å; C270-M308 VanDerWaalsContact SG-CE 3.55Å; C270-A539 HydrophobicContact CB-CB 4.27Å
271	A	98.7	Very high	98.5	Very high	6 Å²	6	5.3 Å²	5.3	5%	0.05	3%	0.032	C	C	.	.	H	α-helix	trans	-61.4	-37.7	177.5	0	0	0	0	0	112.9	R267 I268 V505	R267-A271 WeakPolarHBondContact O-CB 3.35Å; R267-A271 PolarHBondContact O-N 2.95Å; I268-A271 WeakPolarHBondContact O-CB 3.29Å; I268-A271 PolarHBondContact O-N 3.44Å; I268-A271 VanDerWaalsContact O-N 3.15Å; A271-V505 HydrophobicContact CB-CB 3.96Å; A271-V505 HydrophobicContact CB-CG1 3.79Å; A271-V505 HydrophobicContact CB-CG2 4.14Å
272	F	98.7	Very high	98.5	Very high	3 Å²	3	6.4 Å²	6.4	1%	0.013	4%	0.039	C	C	.	.	H	α-helix	trans	-81.3	-21	-177.8	-71.5	5.5	0	0	0	113.7	N230 L237 I268 P269 C270 F506 A510	N230-F272 PolarHBondContact ND2-O 3Å; L237-F272 HydrophobicContact CB-CD2 4.48Å; L237-F272 HydrophobicContact CB-CE2 4.46Å; I268-F272 HydrophobicContact CG2-CD2 4.23Å; I268-F272 HydrophobicContact CG2-CE1 4.25Å; I268-F272 HydrophobicContact CG2-CE2 3.87Å; I268-F272 HydrophobicContact CG2-CZ 3.88Å; I268-F272 PolarHBondContact O-N 3.31Å; P269-F272 PolarHBondContact O-N 3.41Å; C270-F272 VanDerWaalsContact C-N 3.3Å; C270-F272 PolarHBondContact O-N 3.03Å; F272-F506 HydrophobicContact CE1-CB 4.05Å; F272-F506 AromaticContact CE1-CD1 3.84Å; F272-F506 HydrophobicContact CE1-CD1 3.84Å; F272-F506 HydrophobicContact CE1-CE1 4.45Å; F272-F506 AromaticContact CE1-CG 3.94Å; F272-F506 HydrophobicContact CE1-CG 3.94Å; F272-F506 AromaticContact CZ-CD1 3.56Å; F272-F506 HydrophobicContact CZ-CD1 3.56Å; F272-F506 HydrophobicContact CZ-CD2 4.4Å; F272-F506 AromaticContact CZ-CE1 3.72Å; F272-F506 HydrophobicContact CZ-CE1 3.72Å; F272-F506 AromaticContact CZ-CG 3.92Å; F272-F506 HydrophobicContact CZ-CG 3.92Å; F272-F506 HydrophobicContact CZ-CZ 4.19Å; F272-A510 HydrophobicContact CB-CB 3.95Å; F272-A510 HydrophobicContact CD1-CB 4.22Å; F272-A510 HydrophobicContact CD2-CB 3.89Å; F272-A510 HydrophobicContact CE2-CB 4.49Å; F272-A510 HydrophobicContact CG-CB 3.77Å
273	C	98.6	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	19.4	-176.3	-58.6	0	0	0	0	113.3	P231 F232 P238 A246 A250 P269 C270 L275	P231-C273 HydrophobicContact CG-CB 4.32Å; F232-C273 WeakPolarHBondContact CE2-O 3.45Å; P238-C273 PolarHBondContact O-SG 3.27Å; A246-C273 HydrophobicContact CB-CB 3.91Å; A250-C273 HydrophobicContact CB-CB 4.16Å; A250-C273 WeakPolarHBondContact CB-O 3.44Å; P269-C273 VanDerWaalsContact O-CB 3.3Å; P269-C273 WeakPolarHBondContact O-CB 3.48Å; P269-C273 PolarHBondContact O-N 2.85Å; P269-C273 PolarHBondContact O-SG 3.28Å; C270-C273 PolarHBondContact O-N 2.87Å; C273-L275 HydrophobicContact CB-CD1 4.24Å; C273-L275 HydrophobicContact CB-CG 4.46Å
274	N	98.3	Very high	98.4	Very high	46 Å²	46	5.8 Å²	5.8	25%	0.246	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	48.4	177.5	-162	43.3	0	0	0	114.2	F232 C270 P541 P582	F232-N274 HydrophobicContact CE1-CB 4.23Å; F232-N274 HydrophobicContact CE2-CB 3.62Å; F232-N274 HydrophobicContact CZ-CB 3.35Å; C270-N274 PolarHBondContact O-N 2.99Å; C270-N274 VanDerWaalsContact O-N 3.15Å; N274-P541 WeakPolarHBondContact OD1-CB 3.48Å; N274-P582 HydrophobicContact CB-CB 3.77Å; N274-P582 HydrophobicContact CB-CG 3.68Å
275	L	98.7	Very high	98.4	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	4%	0.042	C	C	.	.			trans	-123.8	160.2	-178.9	-61.8	170.2	0	0	0	111.4	A246 L249 A250 C270 C273 A309 R310 P541	A246-L275 HydrophobicContact CB-CD1 3.88Å; A246-L275 WeakPolarHBondContact O-CD1 3.45Å; L249-L275 HydrophobicContact CB-CD1 3.75Å; L249-L275 HydrophobicContact CB-CD2 3.95Å; L249-L275 HydrophobicContact CD1-CD1 4.29Å; A250-L275 HydrophobicContact CB-CD1 4.46Å; A250-L275 HydrophobicContact CB-CD2 4.32Å; A250-L275 HydrophobicContact CB-CG 4.45Å; C270-L275 HydrophobicContact CB-CB 3.96Å; C270-L275 WeakPolarHBondContact CB-O 3.38Å; C270-L275 PolarHBondContact O-N 3.06Å; C273-L275 HydrophobicContact CB-CD1 4.24Å; C273-L275 HydrophobicContact CB-CG 4.46Å; L275-A309 WeakPolarHBondContact CB-O 3.4Å; L275-R310 HydrophobicContact CD2-CB 4.36Å; L275-R310 HydrophobicContact CD2-CG 3.71Å; L275-P541 WeakPolarHBondContact O-CD 3.42Å
276	A	98.8	Very high	98.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142.4	163.3	0	0	0	0	0	109.5	C270 A309 V312 L315 A539	C270-A276 PolarHBondContact SG-O 3.47Å; C270-A276 VanDerWaalsContact SG-O 3.35Å; A276-A309 PolarHBondContact N-O 2.92Å; A276-A309 PolarHBondContact O-N 2.68Å; A276-V312 HydrophobicContact CB-CG2 4.02Å; A276-L315 HydrophobicContact CB-CD1 3.69Å; A276-L315 HydrophobicContact CB-CG 4.16Å; A276-A539 CarbonylContact C-O 3.47Å; A276-A539 VanDerWaalsContact CA-O 3.28Å; A276-A539 WeakPolarHBondContact CA-O 3.44Å
277	G	98.9	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	145.3	172.9	0	0	0	0	0	111.8	P307 G538 A539	G277-P307 WeakPolarHBondContact CA-O 3.34Å; G277-G538 CarbonylContact O-C 3.59Å; G277-G538 WeakPolarHBondContact O-CA 3.33Å; G277-A539 PolarHBondContact N-O 3.38Å; G277-A539 PolarHBondContact O-N 2.86Å
278	L	98.9	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.2	-179.6	179.3	69.2	0	0	0	110.2	P280 G306 P307 L315 M319 E594 V597 L598	L278-P280 HydrophobicContact CD2-CG 4.25Å; L278-P280 HydrophobicContact CG-CG 4.29Å; L278-P280 WeakPolarHBondContact O-CD 3.3Å; L278-G306 WeakPolarHBondContact O-CA 3.34Å; L278-P307 HydrophobicContact CB-CG 4.11Å; L278-P307 PolarHBondContact N-O 3.09Å; L278-L315 HydrophobicContact CB-CD1 4.25Å; L278-M319 HydrophobicContact CD2-CG 3.83Å; L278-M319 HydrophobicContact CD2-SD 4.13Å; L278-E594 HydrophobicContact CD2-CB 4.25Å; L278-E594 HydrophobicContact CD2-CG 4.29Å; L278-V597 HydrophobicContact CD1-CG1 4.11Å; L278-L598 HydrophobicContact CD2-CD1 4.1Å; L278-L598 HydrophobicContact CD2-CD2 4.2Å; L278-L598 HydrophobicContact CD2-CG 4.2Å
279	K	98.8	Very high	98.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	104.2	158.3	179.2	-144.5	69.6	73.8	0	108.2	D261 C304 N531 Y535 P536 A537	D261-K279 HydrophobicContact CB-CB 4.12Å; D261-K279 HydrophobicContact CB-CG 3.89Å; K279-C304 HydrophobicContact CG-CB 3.87Å; K279-N531 VanDerWaalsContact CD-ND2 3.29Å; K279-N531 WeakPolarHBondContact CD-ND2 3.37Å; K279-Y535 WeakPolarHBondContact CE-O 3.44Å; K279-Y535 PolarHBondContact NZ-O 2.76Å; K279-P536 CarbonylContact O-C 3.41Å; K279-P536 VanDerWaalsContact O-CA 3.26Å; K279-P536 WeakPolarHBondContact O-CA 3.46Å; K279-A537 WeakPolarHBondContact CB-O 3.46Å; K279-A537 PolarHBondContact N-O 2.83Å; K279-A537 PolarHBondContact O-N 2.99Å
280	P	98.6	Very high	98	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-63.6	171.9	172.6	-20.7	34.1	0	0	0	112.6	L278 R284 L285 C304 L305 M319 E594	L278-P280 HydrophobicContact CD2-CG 4.25Å; L278-P280 HydrophobicContact CG-CG 4.29Å; L278-P280 WeakPolarHBondContact O-CD 3.3Å; P280-R284 HydrophobicContact CB-CB 3.88Å; P280-R284 HydrophobicContact CB-CG 4.19Å; P280-L285 HydrophobicContact CG-CD1 4.43Å; P280-C304 PolarHBondContact O-SG 3.09Å; P280-C304 VanDerWaalsContact O-SG 3.33Å; P280-L305 WeakPolarHBondContact CD-O 3.41Å; P280-L305 WeakPolarHBondContact CG-O 3.42Å; P280-M319 HydrophobicContact CB-CE 4.31Å; P280-M319 HydrophobicContact CG-CE 3.91Å; P280-M319 HydrophobicContact CG-SD 3.98Å; P280-E594 HydrophobicContact CB-CG 4.02Å
281	T	98.5	Very high	97.9	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-59	143.9	164.9	-49.3	0	0	0	0	109.4	G283 R284 P536 P591 Y592 E594	T281-G283 PolarHBondContact O-N 3.41Å; T281-R284 WeakPolarHBondContact O-CB 3.27Å; T281-R284 PolarHBondContact O-N 2.65Å; T281-R284 VanDerWaalsContact O-N 3.1Å; T281-P536 WeakPolarHBondContact OG1-CD 3.47Å; T281-P591 HydrophobicContact CG2-CB 3.88Å; T281-Y592 HydrophobicContact CG2-CD1 4.08Å; T281-Y592 HydrophobicContact CG2-CE1 3.65Å; T281-Y592 HydrophobicContact CG2-CE2 4.32Å; T281-Y592 PolarHBondContact OG1-N 3.1Å; T281-E594 WeakPolarHBondContact CB-OE1 3.29Å; T281-E594 PolarHBondContact N-OE1 3.49Å; T281-E594 PolarHBondContact OG1-OE1 3.27Å
282	S	97	Very high	97.7	Very high	24 Å²	24	18 Å²	18	17%	0.168	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	139	174.1	78.9	0	0	0	0	110.6	R284 D534	S282-R284 VanDerWaalsContact C-N 3.27Å; S282-R284 PolarHBondContact O-N 3.15Å; S282-D534 WeakPolarHBondContact CB-OD1 3.41Å; S282-D534 PolarHBondContact N-OD1 3.48Å; S282-D534 VanDerWaalsContact OG-CG 3.23Å; S282-D534 PolarHBondContact OG-OD1 2.97Å; S282-D534 PolarHBondContact OG-OD2 3.17Å
283	G	95.5	Very high	97.4	Very high	27 Å²	27	18.2 Å²	18.2	28%	0.278	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	0.3	-174.9	0	0	0	0	0	115.5	T281 V334 I335	T281-G283 PolarHBondContact O-N 3.41Å; G283-V334 WeakPolarHBondContact O-CA 3.33Å; G283-I335 PolarHBondContact O-N 3.16Å
284	R	97.8	Very high	97.2	Very high	1 Å²	1	19 Å²	19	0%	0.004	13%	0.126	C	C	.	.	S	Bend	trans	-72.1	-30.1	170	-164.9	67.7	-174	-121.5	9.4	112.3	P280 T281 S282 M319 L323 M337 S338 Y592 E594 E595	P280-R284 HydrophobicContact CB-CB 3.88Å; P280-R284 HydrophobicContact CB-CG 4.19Å; T281-R284 WeakPolarHBondContact O-CB 3.27Å; T281-R284 PolarHBondContact O-N 2.65Å; T281-R284 VanDerWaalsContact O-N 3.1Å; S282-R284 VanDerWaalsContact C-N 3.27Å; S282-R284 PolarHBondContact O-N 3.15Å; R284-M319 HydrophobicContact CG-CE 4.15Å; R284-L323 HydrophobicContact CG-CD2 4.09Å; R284-L323 VanDerWaalsContact O-CD2 3.27Å; R284-L323 WeakPolarHBondContact O-CD2 3.19Å; R284-M337 PolarHBondContact NH1-SD 3.03Å; R284-M337 VanDerWaalsContact NH1-SD 3.41Å; R284-S338 PolarHBondContact NH2-O 2.83Å; R284-Y592 PolarHBondContact NH1-O 2.92Å; R284-E594 IonicContact CZ-OE2 3.98Å; R284-E594 IonicContact NH1-OE2 2.8Å; R284-E594 PolarHBondContact NH1-OE2 3.49Å; R284-E595 IonicContact CZ-OE1 2.63Å; R284-E595 IonicContact NH1-OE1 3.14Å; R284-E595 IonicContact NH1-OE2 3.69Å; R284-E595 IonicContact NH2-OE1 3.95Å; R284-E595 PolarHBondContact NH2-OE1 3.45Å; R284-E595 IonicContact NH2-OE2 3.98Å
285	L	98.5	Very high	96.9	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.037	15%	0.146	C	C	.	.	S	Bend	trans	-128.7	145.7	171.4	-63.4	176.9	0	0	0	109.4	P280 L305 M319 L322 L323 M327	P280-L285 HydrophobicContact CG-CD1 4.43Å; L285-L305 HydrophobicContact CB-CB 4.46Å; L285-L305 HydrophobicContact CD1-CB 4.31Å; L285-M319 HydrophobicContact CD1-CE 4.4Å; L285-M319 HydrophobicContact CD1-SD 4.11Å; L285-M319 HydrophobicContact CD2-CE 4.41Å; L285-M319 HydrophobicContact CG-CE 4.35Å; L285-L322 HydrophobicContact CD1-CD1 4.15Å; L285-L322 HydrophobicContact CD2-CB 3.8Å; L285-L322 HydrophobicContact CD2-CD1 4.24Å; L285-L323 HydrophobicContact CD2-CD2 4.28Å; L285-M327 HydrophobicContact CD2-CE 3.75Å
286	S	98.3	Very high	96.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	18%	0.183	C	C	.	.			trans	-67.3	135.5	-176.7	-179.7	0	0	0	0	113	V193 L288 L305 M327 D331	V193-S286 WeakPolarHBondContact CB-OG 3.46Å; V193-S286 VanDerWaalsContact CG1-CB 3.49Å; S286-L288 PolarHBondContact OG-N 3.45Å; S286-L288 VanDerWaalsContact OG-N 3.09Å; S286-L305 WeakPolarHBondContact O-CD1 3.09Å; S286-M327 PolarHBondContact N-SD 3.15Å; S286-D331 WeakPolarHBondContact CB-OD2 3.22Å; S286-D331 WeakPolarHBondContact OG-CB 3.05Å; S286-D331 PolarHBondContact OG-OD2 3.37Å
287	L	97	Very high	96.4	Very high	54 Å²	54	33 Å²	33	28%	0.283	18%	0.184	S	C	.	.			trans	-100.1	2.3	170.1	-63	170.5	0	0	0	113	G289 I290 P303 L305	L287-G289 PolarHBondContact O-N 3.41Å; L287-I290 HydrophobicContact CB-CG1 4.47Å; L287-I290 HydrophobicContact CD2-CG1 4.42Å; L287-I290 WeakPolarHBondContact O-CB 3.28Å; L287-I290 VanDerWaalsContact O-CG1 3.29Å; L287-I290 WeakPolarHBondContact O-CG1 3.42Å; L287-I290 PolarHBondContact O-N 2.74Å; L287-I290 VanDerWaalsContact O-N 3.09Å; L287-P303 HydrophobicContact CD1-CG 4.06Å; L287-P303 VanDerWaalsContact CD1-O 3.29Å; L287-P303 WeakPolarHBondContact CD1-O 3.43Å; L287-L305 HydrophobicContact CD2-CD1 4Å; L287-L305 HydrophobicContact CD2-CG 3.92Å
288	L	97.4	Very high	96.3	Very high	78 Å²	78	34.6 Å²	34.6	41%	0.408	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	126.5	-177.1	-67.3	-176.4	0	0	0	110.7	C192 V193 S286 D331	C192-L288 WeakPolarHBondContact CB-O 3.4Å; V193-L288 HydrophobicContact CG2-CB 3.75Å; V193-L288 PolarHBondContact N-O 3.42Å; V193-L288 VanDerWaalsContact N-O 3.09Å; S286-L288 PolarHBondContact OG-N 3.45Å; S286-L288 VanDerWaalsContact OG-N 3.09Å; L288-D331 HydrophobicContact CD1-CB 3.91Å; L288-D331 WeakPolarHBondContact CD1-OD1 3.25Å; L288-D331 WeakPolarHBondContact CG-OD2 3.5Å
289	G	96.2	Very high	96.2	Very high	41 Å²	41	36.6 Å²	36.6	42%	0.423	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-8.4	-175.4	0	0	0	0	0	114.8	A170 L287	A170-G289 WeakPolarHBondContact CB-O 3.38Å; L287-G289 PolarHBondContact O-N 3.41Å
290	I	96.4	Very high	96.1	Very high	29 Å²	29	40.8 Å²	40.8	15%	0.149	22%	0.221	C	C	.	.			trans	-66.2	139.7	178.7	-59.5	-63.9	0	0	0	111.4	I169 C192 L287 L305	I169-I290 HydrophobicContact CB-CD1 4.16Å; I169-I290 HydrophobicContact CG1-CD1 4.15Å; I169-I290 HydrophobicContact CG2-CD1 3.91Å; C192-I290 HydrophobicContact CB-CD1 4.13Å; L287-I290 HydrophobicContact CB-CG1 4.47Å; L287-I290 HydrophobicContact CD2-CG1 4.42Å; L287-I290 WeakPolarHBondContact O-CB 3.28Å; L287-I290 VanDerWaalsContact O-CG1 3.29Å; L287-I290 WeakPolarHBondContact O-CG1 3.42Å; L287-I290 PolarHBondContact O-N 2.74Å; L287-I290 VanDerWaalsContact O-N 3.09Å; I290-L305 HydrophobicContact CD1-CD1 3.91Å; I290-L305 HydrophobicContact CD1-CD2 4Å; I290-L305 HydrophobicContact CD1-CG 4.47Å; I290-L305 HydrophobicContact CG1-CD1 4.07Å
291	V	96.1	Very high	96	Very high	18 Å²	18	41.1 Å²	41.1	11%	0.109	22%	0.223	C	C	.	.			trans	-81.1	129.4	176.7	178.3	0	0	0	0	109.8	G168 A170 A176 M178 R183 I188	G168-V291 WeakPolarHBondContact O-CB 3.4Å; G168-V291 PolarHBondContact O-N 2.87Å; A170-V291 HydrophobicContact CB-CG2 4.28Å; A176-V291 HydrophobicContact CB-CB 3.91Å; A176-V291 HydrophobicContact CB-CG1 4.02Å; A176-V291 HydrophobicContact CB-CG2 3.61Å; M178-V291 HydrophobicContact CG-CG1 4.11Å; M178-V291 HydrophobicContact SD-CG1 4.18Å; R183-V291 VanDerWaalsContact NH2-CG1 3.28Å; I188-V291 HydrophobicContact CD1-CG2 3.77Å
292	S	94.4	Very high	95.9	Very high	45 Å²	45	43.7 Å²	43.7	32%	0.315	24%	0.241	S	C	.	.			trans	-131.7	134.2	178.8	174.3	0	0	0	0	110.8	A294	S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact OG-N 3.02Å; S292-A294 VanDerWaalsContact OG-N 3.09Å
293	T	93.9	Very high	95.8	Very high	8 Å²	8	45 Å²	45	5%	0.049	25%	0.249	C	C	.	.	S	Bend	trans	-98.1	16.3	170.6	50.4	0	0	0	0	111.6	M178 L214	M178-T293 HydrophobicContact CB-CG2 3.87Å; M178-T293 HydrophobicContact CE-CG2 4.3Å; M178-T293 HydrophobicContact CG-CG2 3.81Å; L214-T293 HydrophobicContact CD2-CG2 3.79Å; L214-T293 PolarHBondContact O-OG1 3.36Å
294	A	93.7	Very high	95.9	Very high	17 Å²	17	44 Å²	44	14%	0.14	24%	0.238	C	C	.	.			trans	-133.9	22.3	-172.5	0	0	0	0	0	111.8	S292 K296 S297 V298 E416	S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact OG-N 3.02Å; S292-A294 VanDerWaalsContact OG-N 3.09Å; A294-K296 PolarHBondContact O-N 3.3Å; A294-S297 WeakPolarHBondContact CA-OG 3.47Å; A294-V298 HydrophobicContact CB-CG2 3.84Å; A294-E416 VanDerWaalsContact CA-OE2 3.24Å; A294-E416 WeakPolarHBondContact CA-OE2 3.3Å
295	K	91.6	Very high	95.9	Very high	154 Å²	154	44 Å²	44	67%	0.67	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24	-171.4	-68.6	-175	-179.6	-171.6	0	112.5	E416	K295-E416 PolarHBondContact N-OE1 2.79Å; K295-E416 PolarHBondContact N-OE2 3.43Å
296	K	93	Very high	95.9	Very high	181 Å²	181	43.7 Å²	43.7	79%	0.787	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121	6.7	-172.3	-58.1	-179.5	-177.4	179.5	0	113.1	A294 E416	A294-K296 PolarHBondContact O-N 3.3Å; K296-E416 PolarHBondContact N-OE1 3.42Å; K296-E416 PolarHBondContact N-OE2 3.27Å
297	S	94.6	Very high	96	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.028	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-23.4	-171.8	48.9	0	0	0	0	114.6	A294 A411 D412 E416	A294-S297 WeakPolarHBondContact CA-OG 3.47Å; S297-A411 WeakPolarHBondContact O-CB 3.22Å; S297-A411 PolarHBondContact O-N 3.05Å; S297-D412 VanDerWaalsContact CB-OD1 3.28Å; S297-D412 WeakPolarHBondContact CB-OD1 3.4Å; S297-D412 WeakPolarHBondContact CB-OD2 3.18Å; S297-E416 VanDerWaalsContact CB-OE2 3.26Å; S297-E416 WeakPolarHBondContact CB-OE2 3.37Å; S297-E416 PolarHBondContact N-OE2 3.26Å; S297-E416 VanDerWaalsContact N-OE2 3.08Å; S297-E416 PolarHBondContact OG-OE2 3.21Å
298	V	96.4	Very high	96.1	Very high	34 Å²	34	41.1 Å²	41.1	21%	0.206	22%	0.222	C	C	.	.			trans	-101.5	129.9	-177.7	-178.6	0	0	0	0	110.6	I262 A294 I301 A408 L409	I262-V298 HydrophobicContact CD1-CG1 4.1Å; A294-V298 HydrophobicContact CB-CG2 3.84Å; V298-I301 HydrophobicContact CG1-CB 4.3Å; V298-I301 VanDerWaalsContact CG1-O 3.31Å; V298-I301 WeakPolarHBondContact CG1-O 3.45Å; V298-A408 CarbonylContact C-O 3.58Å; V298-A408 WeakPolarHBondContact CA-O 3.41Å; V298-L409 HydrophobicContact CG1-CD1 4.3Å; V298-L409 HydrophobicContact CG2-CD1 3.9Å
299	L	96.7	Very high	96.1	Very high	43 Å²	43	37.4 Å²	37.4	23%	0.225	20%	0.203	C	C	.	.			trans	-113.5	127.2	-179.3	-172.3	69.7	0	0	0	110.6	I301 A408 A411 L468 A474 L477 I478	L299-I301 PolarHBondContact O-N 3.36Å; L299-A408 PolarHBondContact N-O 3.29Å; L299-A408 VanDerWaalsContact O-CB 3.27Å; L299-A408 WeakPolarHBondContact O-CB 3.37Å; L299-A411 HydrophobicContact CB-CB 3.85Å; L299-L468 HydrophobicContact CD2-CD1 3.88Å; L299-A474 HydrophobicContact CD2-CB 3.86Å; L299-L477 HydrophobicContact CD2-CD2 4.16Å; L299-I478 HydrophobicContact CD1-CD1 4.16Å; L299-I478 HydrophobicContact CD2-CD1 4.24Å; L299-I478 HydrophobicContact CD2-CG1 4.04Å; L299-I478 HydrophobicContact CG-CD1 4.2Å; L299-I478 HydrophobicContact CG-CG1 4.18Å
300	Y	96.3	Very high	96.2	Very high	88 Å²	88	37.3 Å²	37.3	35%	0.345	19%	0.19	S	C	.	.	S	Bend	trans	60.8	1.8	166.7	-158.7	-116.6	0	0	0	117.7	I478 I481 K482	Y300-I478 HydrophobicContact CD1-CB 4.48Å; Y300-I478 HydrophobicContact CD1-CG1 4.37Å; Y300-I478 HydrophobicContact CD1-CG2 4.01Å; Y300-I478 HydrophobicContact CD2-CD1 4.47Å; Y300-I478 HydrophobicContact CD2-CG1 4.3Å; Y300-I478 HydrophobicContact CD2-CG2 3.98Å; Y300-I478 HydrophobicContact CE1-CG2 4.01Å; Y300-I478 HydrophobicContact CE2-CG2 4.01Å; Y300-I478 HydrophobicContact CG-CB 4.43Å; Y300-I478 HydrophobicContact CG-CG1 3.92Å; Y300-I478 HydrophobicContact CG-CG2 4.01Å; Y300-I481 HydrophobicContact CD1-CB 4.23Å; Y300-I481 HydrophobicContact CD1-CD1 4.37Å; Y300-I481 HydrophobicContact CD1-CG2 3.89Å; Y300-I481 HydrophobicContact CE1-CB 4.46Å; Y300-I481 HydrophobicContact CE1-CG2 3.99Å; Y300-K482 HydrophobicContact CE1-CG 3.94Å; Y300-K482 WeakPolarHBondContact OH-CE 3.3Å
301	I	96.9	Very high	96.2	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.036	20%	0.201	C	C	.	.			trans	-112.3	123	170.5	-58.9	176.3	0	0	0	108	I262 V298 L299 A408 F528 N531 I532	I262-I301 HydrophobicContact CG1-CG2 4.01Å; V298-I301 HydrophobicContact CG1-CB 4.3Å; V298-I301 VanDerWaalsContact CG1-O 3.31Å; V298-I301 WeakPolarHBondContact CG1-O 3.45Å; L299-I301 PolarHBondContact O-N 3.36Å; I301-A408 HydrophobicContact CD1-CB 3.61Å; I301-A408 HydrophobicContact CG1-CB 4.05Å; I301-F528 HydrophobicContact CD1-CE2 3.93Å; I301-F528 HydrophobicContact CD1-CZ 3.77Å; I301-F528 HydrophobicContact CG2-CE2 4.37Å; I301-N531 HydrophobicContact CG2-CB 4.33Å; I301-I532 HydrophobicContact CD1-CG1 4.03Å
302	S	95.3	Very high	96.3	Very high	57 Å²	57	39.3 Å²	39.3	40%	0.399	20%	0.196	S	C	.	.			trans	-98.5	137.8	-178.3	-61.8	0	0	0	0	111
303	P	95.9	Very high	96.5	Very high	50 Å²	50	40.7 Å²	40.7	33%	0.325	20%	0.2	S	C	.	.			trans	-66.9	161.5	164.8	31	-33.1	0	0	0	110	D261 I262 L287	D261-P303 CarbonylContact O-C 3.58Å; I262-P303 HydrophobicContact CB-CB 4.08Å; I262-P303 HydrophobicContact CD1-CB 4.21Å; I262-P303 HydrophobicContact CG1-CB 4.32Å; L287-P303 HydrophobicContact CD1-CG 4.06Å; L287-P303 VanDerWaalsContact CD1-O 3.29Å; L287-P303 WeakPolarHBondContact CD1-O 3.43Å
304	C	97.4	Very high	96.7	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.2	171.8	-60.1	0	0	0	0	109.6	T260 D261 K279 P280	T260-C304 CarbonylContact C-O 3.34Å; T260-C304 VanDerWaalsContact CA-O 3.26Å; T260-C304 WeakPolarHBondContact CA-O 3.42Å; D261-C304 PolarHBondContact N-O 3.44Å; D261-C304 PolarHBondContact O-N 3.38Å; K279-C304 HydrophobicContact CG-CB 3.87Å; P280-C304 PolarHBondContact O-SG 3.09Å; P280-C304 VanDerWaalsContact O-SG 3.33Å
305	L	98.5	Very high	97	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	149.7	160.5	-67.4	157	0	0	0	108.2	I169 L194 I258 G259 T260 P280 L285 S286 L287 I290	I169-L305 HydrophobicContact CD1-CD2 3.58Å; I169-L305 HydrophobicContact CG1-CD2 3.66Å; L194-L305 HydrophobicContact CB-CD1 4.15Å; L194-L305 HydrophobicContact CD2-CD1 3.9Å; L194-L305 HydrophobicContact CD2-CD2 3.99Å; L194-L305 HydrophobicContact CD2-CG 4.38Å; I258-L305 HydrophobicContact CG2-CB 4.39Å; I258-L305 HydrophobicContact CG2-CD2 4.24Å; G259-L305 WeakPolarHBondContact O-CA 3.45Å; T260-L305 HydrophobicContact CG2-CD2 3.5Å; T260-L305 HydrophobicContact CG2-CG 4.43Å; P280-L305 WeakPolarHBondContact CD-O 3.41Å; P280-L305 WeakPolarHBondContact CG-O 3.42Å; L285-L305 HydrophobicContact CB-CB 4.46Å; L285-L305 HydrophobicContact CD1-CB 4.31Å; S286-L305 WeakPolarHBondContact O-CD1 3.09Å; L287-L305 HydrophobicContact CD2-CD1 4Å; L287-L305 HydrophobicContact CD2-CG 3.92Å; I290-L305 HydrophobicContact CD1-CD1 3.91Å; I290-L305 HydrophobicContact CD1-CD2 4Å; I290-L305 HydrophobicContact CD1-CG 4.47Å; I290-L305 HydrophobicContact CG1-CD1 4.07Å
306	G	98.8	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	157.4	176.5	0	0	0	0	0	113.6	G259 L278	G259-G306 PolarHBondContact N-O 2.89Å; G259-G306 PolarHBondContact O-N 2.78Å; L278-G306 WeakPolarHBondContact O-CA 3.34Å
307	P	98.9	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	150.6	-176.9	31.2	-36	0	0	0	112.6	G257 I258 G277 L278 L315 V318 M319	G257-P307 CarbonylContact O-C 3.57Å; G257-P307 WeakPolarHBondContact O-CA 3.47Å; I258-P307 HydrophobicContact CD1-CB 4.48Å; G277-P307 WeakPolarHBondContact CA-O 3.34Å; L278-P307 HydrophobicContact CB-CG 4.11Å; L278-P307 PolarHBondContact N-O 3.09Å; P307-L315 HydrophobicContact CB-CB 4.47Å; P307-L315 HydrophobicContact CB-CD2 3.79Å; P307-L315 HydrophobicContact CG-CB 4.05Å; P307-L315 HydrophobicContact CG-CD2 4.01Å; P307-V318 HydrophobicContact CB-CB 3.88Å; P307-V318 HydrophobicContact CB-CG1 3.75Å; P307-V318 HydrophobicContact CB-CG2 4.37Å; P307-V318 HydrophobicContact CG-CG1 4.47Å; P307-M319 HydrophobicContact CG-CG 4.01Å; P307-M319 HydrophobicContact CG-SD 4.03Å
308	M	98.9	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.9	171.2	-64.6	173.4	68.8	0	0	107.9	E245 A246 L249 G257 I266 P269 C270	E245-M308 HydrophobicContact CB-CE 3.73Å; E245-M308 HydrophobicContact CB-SD 3.66Å; E245-M308 HydrophobicContact CG-SD 4.16Å; A246-M308 HydrophobicContact CB-CE 3.9Å; L249-M308 HydrophobicContact CD1-CB 3.43Å; L249-M308 VanDerWaalsContact CD1-CB 3.43Å; L249-M308 WeakPolarHBondContact CD1-O 3.29Å; G257-M308 PolarHBondContact N-O 3.36Å; G257-M308 PolarHBondContact O-N 3.27Å; I266-M308 HydrophobicContact CG1-CG 4.43Å; I266-M308 HydrophobicContact CG1-SD 4.29Å; I266-M308 HydrophobicContact CG2-CG 3.77Å; I266-M308 HydrophobicContact CG2-SD 4.4Å; P269-M308 HydrophobicContact CG-CE 4.3Å; C270-M308 VanDerWaalsContact SG-CE 3.55Å
309	A	98.7	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	172.1	-178.5	0	0	0	0	0	111.2	V256 L275 A276 D314 L315	V256-A309 HydrophobicContact CG1-CB 4.05Å; L275-A309 WeakPolarHBondContact CB-O 3.4Å; A276-A309 PolarHBondContact N-O 2.92Å; A276-A309 PolarHBondContact O-N 2.68Å; A309-D314 HydrophobicContact CB-CB 3.59Å; A309-L315 HydrophobicContact CB-CD2 3.63Å; A309-L315 HydrophobicContact CB-CG 4.34Å
310	R	97.7	Very high	97.9	Very high	39 Å²	39	23.3 Å²	23.3	15%	0.147	12%	0.115	C	C	.	.	S	Bend	trans	-77.9	-26.2	174.6	-66.5	-171	-60.3	-78.5	2.2	113	C91 S92 E93 S254 L275	C91-R310 PolarHBondContact O-NH2 3.35Å; C91-R310 VanDerWaalsContact O-NH2 3.13Å; S92-R310 PolarHBondContact O-NH2 3.38Å; E93-R310 PolarHBondContact O-NH2 3.17Å; S254-R310 PolarHBondContact O-NH1 3.42Å; L275-R310 HydrophobicContact CD2-CB 4.36Å; L275-R310 HydrophobicContact CD2-CG 3.71Å
311	K	97.4	Very high	98	Very high	90 Å²	90	19.5 Å²	19.5	39%	0.391	10%	0.102	S	C	.	.	S	Bend	trans	-124.8	152.2	-178.2	-62.9	-62.2	-173.7	178.2	0	111.9	D314 E605	K311-D314 PolarHBondContact O-N 3.2Å; K311-E605 WeakPolarHBondContact CA-OE1 3.47Å; K311-E605 VanDerWaalsContact CD-OE1 3.24Å; K311-E605 WeakPolarHBondContact CD-OE1 3.49Å
312	V	98.3	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.7	-39.8	179.3	178.4	0	0	0	0	111.5	A276 D314 L315 A316 V540 L598 M601 R602 E605	A276-V312 HydrophobicContact CB-CG2 4.02Å; V312-D314 PolarHBondContact O-N 2.94Å; V312-L315 VanDerWaalsContact O-CB 3.29Å; V312-L315 WeakPolarHBondContact O-CB 3.36Å; V312-L315 PolarHBondContact O-N 2.88Å; V312-A316 PolarHBondContact O-N 3.36Å; V312-V540 HydrophobicContact CG2-CB 4.47Å; V312-V540 HydrophobicContact CG2-CG2 3.77Å; V312-L598 HydrophobicContact CG1-CD2 4.08Å; V312-L598 WeakPolarHBondContact CG1-O 3.32Å; V312-M601 HydrophobicContact CB-CB 4.45Å; V312-M601 HydrophobicContact CG1-CB 3.69Å; V312-M601 HydrophobicContact CG1-CE 4.41Å; V312-M601 HydrophobicContact CG2-CB 3.86Å; V312-M601 HydrophobicContact CG2-CE 4.19Å; V312-R602 HydrophobicContact CB-CB 4.35Å; V312-R602 HydrophobicContact CG1-CB 4.02Å; V312-E605 WeakPolarHBondContact CB-OE2 3.47Å; V312-E605 HydrophobicContact CG2-CB 4.1Å; V312-E605 WeakPolarHBondContact CG2-OE2 3.37Å; V312-E605 PolarHBondContact N-OE1 3.21Å; V312-E605 PolarHBondContact N-OE2 2.86Å; V312-E605 VanDerWaalsContact N-OE2 3.11Å
313	D	97.9	Very high	98.2	Very high	74 Å²	74	16.7 Å²	16.7	40%	0.396	8%	0.082	S	C	.	.	H	α-helix	trans	-57.7	-37.2	178.2	-82.4	-45.7	0	0	0	112.1	L315 A316 C317 Y344 R602	D313-L315 VanDerWaalsContact C-N 3.27Å; D313-L315 PolarHBondContact O-N 2.97Å; D313-A316 WeakPolarHBondContact O-CB 3.35Å; D313-A316 PolarHBondContact O-N 2.8Å; D313-A316 VanDerWaalsContact O-N 3.09Å; D313-C317 PolarHBondContact O-N 2.89Å; D313-C317 PolarHBondContact O-SG 3.5Å; D313-Y344 PolarHBondContact OD1-OH 3.29Å; D313-R602 WeakPolarHBondContact OD1-CD 3.32Å
314	D	98.5	Very high	98.3	Very high	5 Å²	5	15 Å²	15	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-33.4	178	-60.2	-23.3	0	0	0	111.6	L95 V256 A309 K311 V312 C317 V318	L95-D314 HydrophobicContact CB-CB 4.18Å; L95-D314 WeakPolarHBondContact CB-OD1 3.24Å; L95-D314 HydrophobicContact CD2-CB 4.41Å; L95-D314 PolarHBondContact N-OD1 3.03Å; L95-D314 VanDerWaalsContact N-OD1 3.12Å; V256-D314 HydrophobicContact CG1-CB 3.97Å; A309-D314 HydrophobicContact CB-CB 3.59Å; K311-D314 PolarHBondContact O-N 3.2Å; V312-D314 PolarHBondContact O-N 2.94Å; D314-C317 PolarHBondContact O-N 3.33Å; D314-V318 WeakPolarHBondContact O-CG2 3.27Å; D314-V318 PolarHBondContact O-N 3.28Å; D314-V318 VanDerWaalsContact O-N 3.08Å
315	L	98.8	Very high	98.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-40.7	173.5	-53.3	-178.4	0	0	0	111.5	A276 L278 P307 A309 V312 D313 V318 M319 L598 M601	A276-L315 HydrophobicContact CB-CD1 3.69Å; A276-L315 HydrophobicContact CB-CG 4.16Å; L278-L315 HydrophobicContact CB-CD1 4.25Å; P307-L315 HydrophobicContact CB-CB 4.47Å; P307-L315 HydrophobicContact CB-CD2 3.79Å; P307-L315 HydrophobicContact CG-CB 4.05Å; P307-L315 HydrophobicContact CG-CD2 4.01Å; A309-L315 HydrophobicContact CB-CD2 3.63Å; A309-L315 HydrophobicContact CB-CG 4.34Å; V312-L315 VanDerWaalsContact O-CB 3.29Å; V312-L315 WeakPolarHBondContact O-CB 3.36Å; V312-L315 PolarHBondContact O-N 2.88Å; D313-L315 VanDerWaalsContact C-N 3.27Å; D313-L315 PolarHBondContact O-N 2.97Å; L315-V318 PolarHBondContact O-N 2.81Å; L315-M319 WeakPolarHBondContact O-CG 3.38Å; L315-M319 PolarHBondContact O-N 3Å; L315-L598 HydrophobicContact CB-CD2 3.81Å; L315-L598 HydrophobicContact CD1-CD2 4.06Å; L315-M601 HydrophobicContact CD1-CE 3.84Å
316	A	98.6	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-42.5	178.2	0	0	0	0	0	111.1	V312 D313 V318 M319 R320 F339 Y344 L598	V312-A316 PolarHBondContact O-N 3.36Å; D313-A316 WeakPolarHBondContact O-CB 3.35Å; D313-A316 PolarHBondContact O-N 2.8Å; D313-A316 VanDerWaalsContact O-N 3.09Å; A316-V318 VanDerWaalsContact C-N 3.35Å; A316-V318 PolarHBondContact O-N 2.88Å; A316-M319 PolarHBondContact O-N 3.25Å; A316-R320 VanDerWaalsContact O-CB 3.26Å; A316-R320 WeakPolarHBondContact O-CB 3.47Å; A316-R320 PolarHBondContact O-N 3.15Å; A316-F339 HydrophobicContact CB-CE2 4.37Å; A316-F339 HydrophobicContact CB-CZ 3.9Å; A316-Y344 HydrophobicContact CB-CD2 4.48Å; A316-Y344 HydrophobicContact CB-CE1 3.93Å; A316-Y344 HydrophobicContact CB-CE2 3.94Å; A316-L598 HydrophobicContact CB-CD1 4.14Å
317	C	98.3	Very high	98.1	Very high	9 Å²	9	21.2 Å²	21.2	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-45	173.6	-67.8	0	0	0	0	111.9	L95 E157 D313 D314 R320 A321	L95-C317 HydrophobicContact CD2-CB 3.57Å; E157-C317 HydrophobicContact CB-CB 4.04Å; E157-C317 PolarHBondContact OE1-SG 3.35Å; E157-C317 VanDerWaalsContact OE1-SG 3.36Å; E157-C317 WeakPolarHBondContact OE2-CA 3.41Å; D313-C317 PolarHBondContact O-N 2.89Å; D313-C317 PolarHBondContact O-SG 3.5Å; D314-C317 PolarHBondContact O-N 3.33Å; C317-R320 PolarHBondContact O-N 3.35Å; C317-R320 PolarHBondContact SG-NH2 2.84Å; C317-A321 WeakPolarHBondContact O-CB 3.2Å; C317-A321 PolarHBondContact O-N 3.38Å
318	V	98.7	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-47.6	177.2	175.9	0	0	0	0	111.3	L158 V256 I258 P307 D314 L315 A316 R320 A321 L322	L158-V318 HydrophobicContact CD1-CG1 4.4Å; L158-V318 HydrophobicContact CD1-CG2 4.48Å; L158-V318 HydrophobicContact CD2-CG2 3.96Å; V256-V318 HydrophobicContact CB-CG2 3.93Å; V256-V318 HydrophobicContact CG1-CG2 3.85Å; V256-V318 HydrophobicContact CG2-CG2 4.03Å; I258-V318 HydrophobicContact CD1-CG1 3.8Å; P307-V318 HydrophobicContact CB-CB 3.88Å; P307-V318 HydrophobicContact CB-CG1 3.75Å; P307-V318 HydrophobicContact CB-CG2 4.37Å; P307-V318 HydrophobicContact CG-CG1 4.47Å; D314-V318 WeakPolarHBondContact O-CG2 3.27Å; D314-V318 PolarHBondContact O-N 3.28Å; D314-V318 VanDerWaalsContact O-N 3.08Å; L315-V318 PolarHBondContact O-N 2.81Å; A316-V318 VanDerWaalsContact C-N 3.35Å; A316-V318 PolarHBondContact O-N 2.88Å; V318-R320 VanDerWaalsContact C-N 3.33Å; V318-R320 PolarHBondContact O-N 3.05Å; V318-A321 PolarHBondContact O-N 3.42Å; V318-L322 HydrophobicContact CG1-CD1 3.71Å; V318-L322 HydrophobicContact CG1-CG 4.19Å; V318-L322 WeakPolarHBondContact O-CB 3.22Å; V318-L322 VanDerWaalsContact O-CG 3.28Å; V318-L322 WeakPolarHBondContact O-CG 3.35Å; V318-L322 PolarHBondContact O-N 2.76Å
319	M	98.7	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-42	178.8	-72.2	-57.6	-61	0	0	112.1	L278 P280 R284 L285 P307 L315 A316 L322 L323 F339	L278-M319 HydrophobicContact CD2-CG 3.83Å; L278-M319 HydrophobicContact CD2-SD 4.13Å; P280-M319 HydrophobicContact CB-CE 4.31Å; P280-M319 HydrophobicContact CG-CE 3.91Å; P280-M319 HydrophobicContact CG-SD 3.98Å; R284-M319 HydrophobicContact CG-CE 4.15Å; L285-M319 HydrophobicContact CD1-CE 4.4Å; L285-M319 HydrophobicContact CD1-SD 4.11Å; L285-M319 HydrophobicContact CD2-CE 4.41Å; L285-M319 HydrophobicContact CG-CE 4.35Å; P307-M319 HydrophobicContact CG-CG 4.01Å; P307-M319 HydrophobicContact CG-SD 4.03Å; L315-M319 WeakPolarHBondContact O-CG 3.38Å; L315-M319 PolarHBondContact O-N 3Å; A316-M319 PolarHBondContact O-N 3.25Å; M319-L322 PolarHBondContact O-N 3.28Å; M319-L323 HydrophobicContact CE-CD1 3.99Å; M319-L323 HydrophobicContact CE-CG 4.28Å; M319-L323 WeakPolarHBondContact O-CB 3.36Å; M319-L323 VanDerWaalsContact O-CG 3.25Å; M319-L323 WeakPolarHBondContact O-CG 3.2Å; M319-L323 PolarHBondContact O-N 3.44Å; M319-F339 HydrophobicContact CB-CD2 3.79Å; M319-F339 HydrophobicContact CB-CE2 3.87Å
320	R	98	Very high	98	Very high	61 Å²	61	32.4 Å²	32.4	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-39.2	178.9	-176.4	161.3	49.7	-115.1	-9.3	112.4	E157 A316 C317 V318 F339	E157-R320 IonicContact OE1-CZ 3.62Å; E157-R320 IonicContact OE1-NE 3.71Å; E157-R320 IonicContact OE1-NH2 3.43Å; E157-R320 PolarHBondContact OE1-NH2 3.39Å; E157-R320 IonicContact OE2-CZ 2.69Å; E157-R320 IonicContact OE2-NE 2.83Å; E157-R320 PolarHBondContact OE2-NE 2.95Å; E157-R320 IonicContact OE2-NH2 3.63Å; E157-R320 PolarHBondContact OE2-NH2 2.91Å; A316-R320 VanDerWaalsContact O-CB 3.26Å; A316-R320 WeakPolarHBondContact O-CB 3.47Å; A316-R320 PolarHBondContact O-N 3.15Å; C317-R320 PolarHBondContact O-N 3.35Å; C317-R320 PolarHBondContact SG-NH2 2.84Å; V318-R320 VanDerWaalsContact C-N 3.33Å; V318-R320 PolarHBondContact O-N 3.05Å; R320-F339 HydrophobicContact CB-CB 3.97Å; R320-F339 HydrophobicContact CB-CD1 4.15Å; R320-F339 HydrophobicContact CB-CD2 4.23Å; R320-F339 HydrophobicContact CB-CG 3.86Å; R320-F339 HydrophobicContact CG-CB 4.1Å; R320-F339 HydrophobicContact CG-CD1 4.31Å; R320-F339 HydrophobicContact CG-CG 4.29Å
321	A	98	Very high	98	Very high	7 Å²	7	30.9 Å²	30.9	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-39.4	173.6	0	0	0	0	0	112.7	L158 V201 C317 V318 C324	L158-A321 HydrophobicContact CB-CB 4.27Å; L158-A321 HydrophobicContact CD1-CB 3.66Å; L158-A321 HydrophobicContact CG-CB 3.67Å; V201-A321 HydrophobicContact CG2-CB 4.43Å; C317-A321 WeakPolarHBondContact O-CB 3.2Å; C317-A321 PolarHBondContact O-N 3.38Å; V318-A321 PolarHBondContact O-N 3.42Å; A321-C324 WeakPolarHBondContact O-CB 3.24Å
322	L	98.4	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-78.1	-27.9	-177.2	-68.9	-179.6	0	0	0	114.3	L194 V197 L198 I258 L285 V318 M319 C324 M327	L194-L322 HydrophobicContact CD1-CD1 3.82Å; L194-L322 HydrophobicContact CD1-CD2 3.93Å; V197-L322 HydrophobicContact CG1-CD2 3.93Å; L198-L322 HydrophobicContact CD2-CD2 3.67Å; L198-L322 HydrophobicContact CG-CD2 3.94Å; I258-L322 HydrophobicContact CD1-CD1 4.21Å; L285-L322 HydrophobicContact CD1-CD1 4.15Å; L285-L322 HydrophobicContact CD2-CB 3.8Å; L285-L322 HydrophobicContact CD2-CD1 4.24Å; V318-L322 HydrophobicContact CG1-CD1 3.71Å; V318-L322 HydrophobicContact CG1-CG 4.19Å; V318-L322 WeakPolarHBondContact O-CB 3.22Å; V318-L322 VanDerWaalsContact O-CG 3.28Å; V318-L322 WeakPolarHBondContact O-CG 3.35Å; V318-L322 PolarHBondContact O-N 2.76Å; M319-L322 PolarHBondContact O-N 3.28Å; L322-C324 PolarHBondContact O-N 3Å; L322-M327 HydrophobicContact CB-CE 4.43Å; L322-M327 VanDerWaalsContact O-CB 3.3Å; L322-M327 WeakPolarHBondContact O-CB 3.15Å
323	L	98.3	Very high	97.9	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	21%	0.213	C	C	.	.	S	Bend	trans	-83.3	61.4	177	-67.9	173.8	0	0	0	111	R284 L285 M319 F328 F339	R284-L323 HydrophobicContact CG-CD2 4.09Å; R284-L323 VanDerWaalsContact O-CD2 3.27Å; R284-L323 WeakPolarHBondContact O-CD2 3.19Å; L285-L323 HydrophobicContact CD2-CD2 4.28Å; M319-L323 HydrophobicContact CE-CD1 3.99Å; M319-L323 HydrophobicContact CE-CG 4.28Å; M319-L323 WeakPolarHBondContact O-CB 3.36Å; M319-L323 VanDerWaalsContact O-CG 3.25Å; M319-L323 WeakPolarHBondContact O-CG 3.2Å; M319-L323 PolarHBondContact O-N 3.44Å; L323-F328 HydrophobicContact CB-CZ 4.34Å; L323-F328 HydrophobicContact CD2-CE1 4.36Å; L323-F339 HydrophobicContact CD1-CB 4.14Å; L323-F339 HydrophobicContact CD1-CD2 4.32Å
324	C	96.6	Very high	97.9	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.095	20%	0.195	C	C	.	.	S	Bend	trans	-120.8	166.3	-173.4	71.6	0	0	0	0	112	A321 L322 T326 M327 F328	A321-C324 WeakPolarHBondContact O-CB 3.24Å; L322-C324 PolarHBondContact O-N 3Å; C324-T326 VanDerWaalsContact C-N 3.26Å; C324-T326 PolarHBondContact O-N 2.9Å; C324-T326 VanDerWaalsContact O-N 3.17Å; C324-M327 WeakPolarHBondContact O-CB 3.41Å; C324-M327 PolarHBondContact O-N 3.38Å; C324-F328 WeakPolarHBondContact O-CD2 3Å; C324-F328 PolarHBondContact O-N 2.7Å
325	P	96	Very high	97.7	Very high	89 Å²	89	39.9 Å²	39.9	58%	0.578	21%	0.209	S	C	*	.	H	α-helix	trans	-51	-41.2	-179.5	-29.8	36.7	0	0	0	114.2	M327 F328 D329	P325-M327 VanDerWaalsContact C-N 3.28Å; P325-M327 PolarHBondContact O-N 2.89Å; P325-F328 PolarHBondContact O-N 2.91Å; P325-D329 VanDerWaalsContact O-CG 3.26Å; P325-D329 PolarHBondContact O-N 2.86Å
326	T	97	Very high	97.6	Very high	51 Å²	51	44.8 Å²	44.8	31%	0.313	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-35.4	179.3	-51.8	0	0	0	0	113.1	V197 S200 C324 L330	V197-T326 HydrophobicContact CG2-CG2 4.24Å; S200-T326 WeakPolarHBondContact OG-CG2 3.41Å; C324-T326 VanDerWaalsContact C-N 3.26Å; C324-T326 PolarHBondContact O-N 2.9Å; C324-T326 VanDerWaalsContact O-N 3.17Å; T326-L330 HydrophobicContact CG2-CD1 3.75Å; T326-L330 HydrophobicContact CG2-CG 4.18Å; T326-L330 WeakPolarHBondContact O-CB 3.29Å; T326-L330 VanDerWaalsContact O-CG 3.23Å; T326-L330 WeakPolarHBondContact O-CG 3.26Å; T326-L330 PolarHBondContact O-N 2.79Å; T326-L330 VanDerWaalsContact O-N 3.09Å
327	M	98.2	Very high	97.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-45.1	174.8	176.8	70	71	0	0	110.9	V193 L194 V197 L285 S286 L322 C324 P325 D331 V334	V193-M327 HydrophobicContact CG1-SD 4.06Å; L194-M327 HydrophobicContact CD1-CE 4.5Å; V197-M327 HydrophobicContact CB-CE 4.22Å; V197-M327 HydrophobicContact CG1-CB 4.4Å; V197-M327 HydrophobicContact CG1-CE 4.13Å; V197-M327 HydrophobicContact CG2-CB 3.98Å; V197-M327 HydrophobicContact CG2-CE 4Å; V197-M327 HydrophobicContact CG2-SD 4.22Å; L285-M327 HydrophobicContact CD2-CE 3.75Å; S286-M327 PolarHBondContact N-SD 3.15Å; L322-M327 HydrophobicContact CB-CE 4.43Å; L322-M327 VanDerWaalsContact O-CB 3.3Å; L322-M327 WeakPolarHBondContact O-CB 3.15Å; C324-M327 WeakPolarHBondContact O-CB 3.41Å; C324-M327 PolarHBondContact O-N 3.38Å; P325-M327 VanDerWaalsContact C-N 3.28Å; P325-M327 PolarHBondContact O-N 2.89Å; M327-D331 PolarHBondContact O-N 2.81Å; M327-V334 HydrophobicContact CG-CG1 4.01Å; M327-V334 HydrophobicContact SD-CG2 4.36Å
328	F	98	Very high	97.5	Very high	31 Å²	31	51.6 Å²	51.6	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-71.7	-32.8	-176.8	-48.7	-36	0	0	0	112.2	L323 C324 P325 V334 I335 P336	L323-F328 HydrophobicContact CB-CZ 4.34Å; L323-F328 HydrophobicContact CD2-CE1 4.36Å; C324-F328 WeakPolarHBondContact O-CD2 3Å; C324-F328 PolarHBondContact O-N 2.7Å; P325-F328 PolarHBondContact O-N 2.91Å; F328-V334 HydrophobicContact CD1-CG1 3.86Å; F328-V334 HydrophobicContact CE1-CG1 4.06Å; F328-I335 WeakPolarHBondContact CE1-O 2.96Å; F328-P336 HydrophobicContact CB-CB 4.11Å; F328-P336 HydrophobicContact CD1-CB 4.35Å; F328-P336 HydrophobicContact CD2-CB 4.08Å; F328-P336 HydrophobicContact CG-CB 3.93Å
329	D	97.9	Very high	97.5	Very high	132 Å²	132	52.6 Å²	52.6	71%	0.706	29%	0.285	S	S	*	.	H	α-helix	trans	-74	-38.8	177.3	-68.3	-22.8	0	0	0	112.3	P325	P325-D329 VanDerWaalsContact O-CG 3.26Å; P325-D329 PolarHBondContact O-N 2.86Å
330	L	98.3	Very high	97.4	Very high	73 Å²	73	55.7 Å²	55.7	38%	0.382	30%	0.302	S	S	.	.	H	α-helix	trans	-78	-24	-177.9	-72.1	177.6	0	0	0	113.5	V193 K196 V197 T326	V193-L330 HydrophobicContact CG1-CB 3.73Å; V193-L330 HydrophobicContact CG1-CD1 4.25Å; V193-L330 HydrophobicContact CG2-CB 4.23Å; K196-L330 HydrophobicContact CB-CD1 3.73Å; K196-L330 HydrophobicContact CD-CD1 4.4Å; V197-L330 HydrophobicContact CG2-CD1 4.12Å; T326-L330 HydrophobicContact CG2-CD1 3.75Å; T326-L330 HydrophobicContact CG2-CG 4.18Å; T326-L330 WeakPolarHBondContact O-CB 3.29Å; T326-L330 VanDerWaalsContact O-CG 3.23Å; T326-L330 WeakPolarHBondContact O-CG 3.26Å; T326-L330 PolarHBondContact O-N 2.79Å; T326-L330 VanDerWaalsContact O-N 3.09Å
331	D	98.3	Very high	97.4	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	30%	0.304	C	S	.	.			trans	-136.4	101.1	177.4	-172.9	-6.8	0	0	0	111.5	V193 S286 L288 M327 Y333 V334	V193-D331 HydrophobicContact CG1-CB 4.4Å; S286-D331 WeakPolarHBondContact CB-OD2 3.22Å; S286-D331 WeakPolarHBondContact OG-CB 3.05Å; S286-D331 PolarHBondContact OG-OD2 3.37Å; L288-D331 HydrophobicContact CD1-CB 3.91Å; L288-D331 WeakPolarHBondContact CD1-OD1 3.25Å; L288-D331 WeakPolarHBondContact CG-OD2 3.5Å; M327-D331 PolarHBondContact O-N 2.81Å; D331-Y333 PolarHBondContact O-N 2.79Å; D331-Y333 VanDerWaalsContact O-N 3.09Å; D331-Y333 VanDerWaalsContact OD1-CB 3.31Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.3Å; D331-Y333 WeakPolarHBondContact OD1-CD2 3.42Å; D331-Y333 PolarHBondContact OD1-N 2.81Å; D331-V334 HydrophobicContact CB-CB 4.46Å; D331-V334 HydrophobicContact CB-CG2 3.88Å; D331-V334 PolarHBondContact O-N 3.13Å; D331-V334 VanDerWaalsContact O-N 3.07Å
332	P	96.8	Very high	97.4	Very high	104 Å²	104	58.5 Å²	58.5	68%	0.675	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.2	-179.9	31	-36.8	0	0	0	113.6
333	Y	96.4	Very high	97.4	Very high	189 Å²	189	59.1 Å²	59.1	74%	0.741	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.8	174.6	-54.4	-70.5	0	0	0	112.8	D331	D331-Y333 PolarHBondContact O-N 2.79Å; D331-Y333 VanDerWaalsContact O-N 3.09Å; D331-Y333 VanDerWaalsContact OD1-CB 3.31Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.3Å; D331-Y333 WeakPolarHBondContact OD1-CD2 3.42Å; D331-Y333 PolarHBondContact OD1-N 2.81Å
334	V	97.9	Very high	97.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.03	33%	0.325	C	S	.	.	S	Bend	trans	-77.5	133.9	167.5	174.3	0	0	0	0	108.7	G283 M327 F328 D331 P336	G283-V334 WeakPolarHBondContact O-CA 3.33Å; M327-V334 HydrophobicContact CG-CG1 4.01Å; M327-V334 HydrophobicContact SD-CG2 4.36Å; F328-V334 HydrophobicContact CD1-CG1 3.86Å; F328-V334 HydrophobicContact CE1-CG1 4.06Å; D331-V334 HydrophobicContact CB-CB 4.46Å; D331-V334 HydrophobicContact CB-CG2 3.88Å; D331-V334 PolarHBondContact O-N 3.13Å; D331-V334 VanDerWaalsContact O-N 3.07Å; V334-P336 WeakPolarHBondContact O-CD 3.24Å
335	I	95	Very high	97.4	Very high	60 Å²	60	61.9 Å²	61.9	31%	0.308	34%	0.336	S	S	.	.			trans	-68.4	126.6	176.7	-68.4	163.8	0	0	0	108.5	G283 F328 M337 Y592	G283-I335 PolarHBondContact O-N 3.16Å; F328-I335 WeakPolarHBondContact CE1-O 2.96Å; I335-M337 HydrophobicContact CG2-CB 3.91Å; I335-M337 HydrophobicContact CG2-CE 4.36Å; I335-M337 PolarHBondContact O-N 3.46Å; I335-Y592 HydrophobicContact CD1-CD1 4.24Å; I335-Y592 HydrophobicContact CD1-CE1 3.33Å; I335-Y592 HydrophobicContact CD1-CE2 4.06Å; I335-Y592 WeakPolarHBondContact CD1-OH 3.25Å
336	P	96.7	Very high	97.4	Very high	102 Å²	102	58.2 Å²	58.2	66%	0.662	32%	0.315	S	S	*	.			trans	-75.4	67.6	-178.7	32.2	-36.5	0	0	0	111.2	F328 V334	F328-P336 HydrophobicContact CB-CB 4.11Å; F328-P336 HydrophobicContact CD1-CB 4.35Å; F328-P336 HydrophobicContact CD2-CB 4.08Å; F328-P336 HydrophobicContact CG-CB 3.93Å; V334-P336 WeakPolarHBondContact O-CD 3.24Å
337	M	97.1	Very high	97.4	Very high	72 Å²	72	63 Å²	63	36%	0.355	33%	0.331	S	S	.	.			trans	-121.1	106.3	-177.4	-178.5	-176.2	-66.5	0	0	109.7	R284 I335	R284-M337 PolarHBondContact NH1-SD 3.03Å; R284-M337 VanDerWaalsContact NH1-SD 3.41Å; I335-M337 HydrophobicContact CG2-CB 3.91Å; I335-M337 HydrophobicContact CG2-CE 4.36Å; I335-M337 PolarHBondContact O-N 3.46Å
338	S	97.4	Very high	97.1	Very high	80 Å²	80	67.5 Å²	67.5	56%	0.559	36%	0.355	S	S	*	.			trans	-62.1	162.6	172.9	-53	0	0	0	0	111.9	R284 D340	R284-S338 PolarHBondContact NH2-O 2.83Å; S338-D340 PolarHBondContact O-N 3.17Å
339	F	98.3	Very high	96.8	Very high	21 Å²	21	71.1 Å²	71.1	9%	0.092	37%	0.368	C	S	.	.			trans	-64	126.8	176.9	-172.8	-87.7	0	0	0	111.9	A316 M319 R320 L323 Q341 Y344 E595 L598	A316-F339 HydrophobicContact CB-CE2 4.37Å; A316-F339 HydrophobicContact CB-CZ 3.9Å; M319-F339 HydrophobicContact CB-CD2 3.79Å; M319-F339 HydrophobicContact CB-CE2 3.87Å; R320-F339 HydrophobicContact CB-CB 3.97Å; R320-F339 HydrophobicContact CB-CD1 4.15Å; R320-F339 HydrophobicContact CB-CD2 4.23Å; R320-F339 HydrophobicContact CB-CG 3.86Å; R320-F339 HydrophobicContact CG-CB 4.1Å; R320-F339 HydrophobicContact CG-CD1 4.31Å; R320-F339 HydrophobicContact CG-CG 4.29Å; L323-F339 HydrophobicContact CD1-CB 4.14Å; L323-F339 HydrophobicContact CD1-CD2 4.32Å; F339-Q341 PolarHBondContact O-N 3.32Å; F339-Q341 VanDerWaalsContact O-N 3.11Å; F339-Y344 HydrophobicContact CE1-CD1 4.24Å; F339-Y344 HydrophobicContact CE1-CG 4.01Å; F339-Y344 HydrophobicContact CZ-CD1 4.39Å; F339-Y344 HydrophobicContact CZ-CD2 4.28Å; F339-Y344 AromaticContact CZ-CG 3.95Å; F339-Y344 HydrophobicContact CZ-CG 3.95Å; F339-E595 WeakPolarHBondContact CA-OE1 3.31Å; F339-E595 HydrophobicContact CD1-CG 4.16Å; F339-E595 HydrophobicContact CD2-CG 3.85Å; F339-E595 HydrophobicContact CE1-CG 3.93Å; F339-E595 HydrophobicContact CE2-CG 3.63Å; F339-E595 HydrophobicContact CG-CG 4.12Å; F339-E595 HydrophobicContact CZ-CB 4.43Å; F339-E595 HydrophobicContact CZ-CG 3.66Å; F339-L598 HydrophobicContact CE2-CD1 3.83Å; F339-L598 HydrophobicContact CZ-CD1 4.14Å
340	D	97.9	Very high	96.6	Very high	66 Å²	66	70 Å²	70	35%	0.353	37%	0.37	S	S	.	.			trans	-81.6	87.8	178	-176.3	-2.8	0	0	0	112	S338 V342 S343 Y344 E595	S338-D340 PolarHBondContact O-N 3.17Å; D340-V342 PolarHBondContact O-N 2.82Å; D340-V342 WeakPolarHBondContact OD1-CB 3.4Å; D340-V342 PolarHBondContact OD1-N 2.84Å; D340-S343 VanDerWaalsContact CG-OG 3.32Å; D340-S343 PolarHBondContact O-N 3Å; D340-S343 PolarHBondContact OD1-N 2.82Å; D340-S343 WeakPolarHBondContact OD2-CB 3.41Å; D340-S343 PolarHBondContact OD2-OG 2.76Å; D340-Y344 PolarHBondContact O-N 2.87Å; D340-Y344 VanDerWaalsContact O-N 3.13Å; D340-E595 HydrophobicContact CB-CB 4.39Å; D340-E595 HydrophobicContact CB-CG 4.02Å; D340-E595 PolarHBondContact N-OE1 2.88Å; D340-E595 WeakPolarHBondContact O-CG 3.3Å
341	Q	97.8	Very high	96.5	Very high	58 Å²	58	71.5 Å²	71.5	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-35.4	177.7	-169	62.6	21.6	0	0	113.1	F339 Y344 E345	F339-Q341 PolarHBondContact O-N 3.32Å; F339-Q341 VanDerWaalsContact O-N 3.11Å; Q341-Y344 PolarHBondContact O-N 3.47Å; Q341-E345 HydrophobicContact CG-CG 4.3Å; Q341-E345 VanDerWaalsContact NE2-CD 3.31Å; Q341-E345 PolarHBondContact NE2-OE1 3.16Å; Q341-E345 WeakPolarHBondContact O-CB 3.29Å; Q341-E345 WeakPolarHBondContact O-CG 3.35Å; Q341-E345 PolarHBondContact O-N 3Å
342	V	98.1	Very high	96.5	Very high	70 Å²	70	71.5 Å²	71.5	42%	0.424	38%	0.376	S	S	.	.	H	α-helix	trans	-68.8	-43.2	-174.6	179.4	0	0	0	0	110.2	D340 G346 K347 N348	D340-V342 PolarHBondContact O-N 2.82Å; D340-V342 WeakPolarHBondContact OD1-CB 3.4Å; D340-V342 PolarHBondContact OD1-N 2.84Å; V342-G346 PolarHBondContact O-N 3.15Å; V342-G346 VanDerWaalsContact O-N 3.12Å; V342-K347 HydrophobicContact CG1-CB 3.84Å; V342-K347 PolarHBondContact O-N 3.14Å; V342-N348 HydrophobicContact CG1-CB 3.81Å
343	S	97.8	Very high	96.6	Very high	13 Å²	13	67.2 Å²	67.2	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-41	174.5	-70.4	0	0	0	0	112.3	D340 E345 G346 N348 R599	D340-S343 VanDerWaalsContact CG-OG 3.32Å; D340-S343 PolarHBondContact O-N 3Å; D340-S343 PolarHBondContact OD1-N 2.82Å; D340-S343 WeakPolarHBondContact OD2-CB 3.41Å; D340-S343 PolarHBondContact OD2-OG 2.76Å; S343-E345 PolarHBondContact O-N 2.76Å; S343-G346 PolarHBondContact O-N 2.66Å; S343-G346 VanDerWaalsContact O-N 3.15Å; S343-N348 PolarHBondContact OG-ND2 2.79Å; S343-R599 WeakPolarHBondContact O-CD 3.44Å
344	Y	98.3	Very high	96.7	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-42.7	177.2	178.7	-117.8	0	0	0	112.9	D313 A316 F339 D340 Q341 G346 L598 R599 R602	D313-Y344 PolarHBondContact OD1-OH 3.29Å; A316-Y344 HydrophobicContact CB-CD2 4.48Å; A316-Y344 HydrophobicContact CB-CE1 3.93Å; A316-Y344 HydrophobicContact CB-CE2 3.94Å; F339-Y344 HydrophobicContact CE1-CD1 4.24Å; F339-Y344 HydrophobicContact CE1-CG 4.01Å; F339-Y344 HydrophobicContact CZ-CD1 4.39Å; F339-Y344 HydrophobicContact CZ-CD2 4.28Å; F339-Y344 AromaticContact CZ-CG 3.95Å; F339-Y344 HydrophobicContact CZ-CG 3.95Å; D340-Y344 PolarHBondContact O-N 2.87Å; D340-Y344 VanDerWaalsContact O-N 3.13Å; Q341-Y344 PolarHBondContact O-N 3.47Å; Y344-G346 PolarHBondContact O-N 2.95Å; Y344-L598 HydrophobicContact CD2-CB 3.81Å; Y344-L598 HydrophobicContact CE2-CB 3.7Å; Y344-R599 HydrophobicContact CD2-CB 4.48Å; Y344-R599 WeakPolarHBondContact O-CB 3.45Å; Y344-R602 VanDerWaalsContact CZ-NH1 3.27Å; Y344-R602 PolarHBondContact O-NH2 3.4Å
345	E	97.3	Very high	96.7	Very high	71 Å²	71	58 Å²	58	33%	0.332	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.1	178.2	-67.9	173.6	164.2	0	0	113	Q341 S343 K347	Q341-E345 HydrophobicContact CG-CG 4.3Å; Q341-E345 VanDerWaalsContact NE2-CD 3.31Å; Q341-E345 PolarHBondContact NE2-OE1 3.16Å; Q341-E345 WeakPolarHBondContact O-CB 3.29Å; Q341-E345 WeakPolarHBondContact O-CG 3.35Å; Q341-E345 PolarHBondContact O-N 3Å; S343-E345 PolarHBondContact O-N 2.76Å; E345-K347 HydrophobicContact CB-CD 4.26Å; E345-K347 HydrophobicContact CB-CG 4.03Å; E345-K347 PolarHBondContact O-N 3.04Å; E345-K347 IonicContact OE1-NZ 3.17Å; E345-K347 WeakPolarHBondContact OE2-CD 3.31Å; E345-K347 WeakPolarHBondContact OE2-CE 3.37Å; E345-K347 IonicContact OE2-NZ 2.79Å; E345-K347 PolarHBondContact OE2-NZ 3.16Å
346	G	95.8	Very high	96.9	Very high	12 Å²	12	58.2 Å²	58.2	12%	0.124	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	18.7	-177.3	0	0	0	0	0	114.7	V342 S343 Y344 N348 R349 R599	V342-G346 PolarHBondContact O-N 3.15Å; V342-G346 VanDerWaalsContact O-N 3.12Å; S343-G346 PolarHBondContact O-N 2.66Å; S343-G346 VanDerWaalsContact O-N 3.15Å; Y344-G346 PolarHBondContact O-N 2.95Å; G346-N348 VanDerWaalsContact C-N 3.3Å; G346-N348 PolarHBondContact O-N 3.48Å; G346-R349 CarbonylContact O-C 3.59Å; G346-R349 PolarHBondContact O-N 3.13Å; G346-R599 VanDerWaalsContact CA-CZ 3.46Å
347	K	95.3	Very high	97	Very high	151 Å²	151	53.8 Å²	53.8	66%	0.657	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-25.8	-179	-75.4	178.8	178.2	163.1	0	113.2	V342 E345	V342-K347 HydrophobicContact CG1-CB 3.84Å; V342-K347 PolarHBondContact O-N 3.14Å; E345-K347 HydrophobicContact CB-CD 4.26Å; E345-K347 HydrophobicContact CB-CG 4.03Å; E345-K347 PolarHBondContact O-N 3.04Å; E345-K347 IonicContact OE1-NZ 3.17Å; E345-K347 WeakPolarHBondContact OE2-CD 3.31Å; E345-K347 WeakPolarHBondContact OE2-CE 3.37Å; E345-K347 IonicContact OE2-NZ 2.79Å; E345-K347 PolarHBondContact OE2-NZ 3.16Å
348	N	92.8	Very high	97	Very high	95 Å²	95	51 Å²	51	51%	0.508	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.7	176.7	58.3	-9.5	0	0	0	113.4	V342 S343 G346	V342-N348 HydrophobicContact CG1-CB 3.81Å; S343-N348 PolarHBondContact OG-ND2 2.79Å; G346-N348 VanDerWaalsContact C-N 3.3Å; G346-N348 PolarHBondContact O-N 3.48Å
349	R	92.4	Very high	97	Very high	107 Å²	107	49.2 Å²	49.2	40%	0.404	25%	0.25	S	S	.	.			trans	-159.6	115.8	-173.4	-170.4	170.4	-177.1	-177.1	-3.3	111.6	G346 Q351 L352 D499 R599	G346-R349 CarbonylContact O-C 3.59Å; G346-R349 PolarHBondContact O-N 3.13Å; R349-Q351 WeakPolarHBondContact CG-O 3.42Å; R349-Q351 PolarHBondContact NE-O 2.97Å; R349-L352 HydrophobicContact CG-CD2 4.4Å; R349-D499 IonicContact CZ-OD1 2.67Å; R349-D499 IonicContact CZ-OD2 2.74Å; R349-D499 IonicContact NE-OD2 3.64Å; R349-D499 VanDerWaalsContact NH1-CG 3.28Å; R349-D499 IonicContact NH1-OD1 3.58Å; R349-D499 PolarHBondContact NH1-OD1 3.03Å; R349-D499 IonicContact NH1-OD2 2.86Å; R349-D499 PolarHBondContact NH1-OD2 3.05Å; R349-D499 IonicContact NH2-OD2 3.48Å; R349-D499 PolarHBondContact NH2-OD2 3.4Å; R349-R599 PolarHBondContact O-NH1 2.55Å; R349-R599 PolarHBondContact O-NH2 3.36Å
350	S	92.1	Very high	96.9	Very high	108 Å²	108	48.4 Å²	48.4	76%	0.755	25%	0.247	S	C	*	.	S	Bend	trans	-70	-54	178.5	52.9	0	0	0	0	112.3	R599	S350-R599 PolarHBondContact O-NH2 3.28Å
351	Q	97.1	Very high	96.6	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	27%	0.269	S	S	.	.	S	Bend	trans	-98.6	122.7	-179.4	176.5	173.1	76.3	0	0	112.2	R349 G387	R349-Q351 WeakPolarHBondContact CG-O 3.42Å; R349-Q351 PolarHBondContact NE-O 2.97Å; Q351-G387 VanDerWaalsContact CG-O 3.25Å; Q351-G387 WeakPolarHBondContact CG-O 3.18Å; Q351-G387 PolarHBondContact NE2-O 2.83Å
352	L	98	Very high	96.4	Very high	6 Å²	6	51 Å²	51	3%	0.031	26%	0.262	C	S	.	.			trans	-96.2	153.9	172	-55.7	174.7	0	0	0	111.2	R349 I354 H388 R389 D499 T596 V600	R349-L352 HydrophobicContact CG-CD2 4.4Å; L352-I354 HydrophobicContact CB-CD1 4.25Å; L352-I354 HydrophobicContact CB-CG1 3.95Å; L352-I354 HydrophobicContact CD1-CD1 4.47Å; L352-H388 WeakPolarHBondContact CB-ND1 3.44Å; L352-H388 PolarHBondContact N-ND1 3.46Å; L352-H388 VanDerWaalsContact N-ND1 3.14Å; L352-R389 PolarHBondContact O-N 3.4Å; L352-D499 WeakPolarHBondContact CA-OD2 3.37Å; L352-D499 HydrophobicContact CB-CB 4.12Å; L352-D499 HydrophobicContact CD2-CB 4Å; L352-T596 HydrophobicContact CD1-CG2 4.38Å; L352-V600 HydrophobicContact CD1-CG2 3.67Å
353	V	98.3	Very high	95.8	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.085	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.4	165.3	-170	0	0	0	0	108.5	R389 V391 G496 L498 D499	V353-R389 CarbonylContact C-O 3.58Å; V353-R389 WeakPolarHBondContact CA-O 3.41Å; V353-R389 HydrophobicContact CG1-CG 4.44Å; V353-R389 HydrophobicContact CG2-CB 4.48Å; V353-V391 HydrophobicContact CG1-CG2 3.88Å; V353-G496 WeakPolarHBondContact CG1-O 3.4Å; V353-L498 HydrophobicContact CG1-CD2 3.98Å; V353-D499 PolarHBondContact N-OD2 2.68Å; V353-D499 PolarHBondContact O-N 2.95Å
354	I	98.6	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.4	-172.7	-58.8	178.1	0	0	0	108.9	L352 L383 H388 R389 L390 V391 A500 I502 V600	L352-I354 HydrophobicContact CB-CD1 4.25Å; L352-I354 HydrophobicContact CB-CG1 3.95Å; L352-I354 HydrophobicContact CD1-CD1 4.47Å; I354-L383 HydrophobicContact CD1-CB 4.42Å; I354-L383 HydrophobicContact CD1-CD1 3.98Å; I354-L383 HydrophobicContact CD1-CD2 4.25Å; I354-L383 HydrophobicContact CD1-CG 4.46Å; I354-L383 HydrophobicContact CG2-CD1 4.4Å; I354-H388 HydrophobicContact CD1-CB 3.9Å; I354-H388 HydrophobicContact CG1-CB 4.43Å; I354-R389 PolarHBondContact N-O 3.02Å; I354-L390 HydrophobicContact CB-CD1 4.01Å; I354-L390 HydrophobicContact CG2-CD1 4.02Å; I354-L390 CarbonylContact O-C 3.4Å; I354-L390 WeakPolarHBondContact O-CA 3.28Å; I354-V391 PolarHBondContact O-N 3.15Å; I354-A500 WeakPolarHBondContact CA-O 3.22Å; I354-I502 HydrophobicContact CG2-CG1 4.39Å; I354-I502 HydrophobicContact CG2-CG2 3.97Å; I354-V600 HydrophobicContact CD1-CG1 4.24Å; I354-V600 HydrophobicContact CD1-CG2 3.97Å
355	G	98.5	Very high	95.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	152.2	171.3	0	0	0	0	0	110.3	V391 A500 L501 I502	G355-V391 CarbonylContact C-O 3.59Å; G355-V391 WeakPolarHBondContact CA-O 3.49Å; G355-A500 PolarHBondContact N-O 3.36Å; G355-L501 VanDerWaalsContact C-CD1 3.42Å; G355-L501 CarbonylContact O-C 3.32Å; G355-L501 VanDerWaalsContact O-CA 3.32Å; G355-L501 WeakPolarHBondContact O-CA 3.39Å; G355-L501 WeakPolarHBondContact O-CD1 3.31Å; G355-I502 PolarHBondContact O-N 3.37Å
356	Y	98.6	Very high	95.1	Very high	65 Å²	65	50.2 Å²	50.2	26%	0.255	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.1	167.3	73.9	-80.9	0	0	0	112.7	A380 L390 V391 K392 F393 I502	Y356-A380 HydrophobicContact CD1-CB 4.3Å; Y356-A380 HydrophobicContact CD2-CB 4.22Å; Y356-A380 HydrophobicContact CG-CB 4.1Å; Y356-L390 HydrophobicContact CD1-CB 4.24Å; Y356-L390 HydrophobicContact CD1-CD1 4.04Å; Y356-L390 HydrophobicContact CE1-CB 4.18Å; Y356-V391 VanDerWaalsContact CD1-O 3.31Å; Y356-V391 WeakPolarHBondContact CD1-O 3.22Å; Y356-V391 PolarHBondContact N-O 3.47Å; Y356-K392 HydrophobicContact CE1-CB 4.37Å; Y356-F393 PolarHBondContact O-N 2.75Å; Y356-I502 VanDerWaalsContact CA-O 3.28Å; Y356-I502 WeakPolarHBondContact CA-O 3.45Å; Y356-I502 VanDerWaalsContact CB-CG1 3.4Å
357	Y	98.5	Very high	95.2	Very high	10 Å²	10	52 Å²	52	4%	0.039	27%	0.268	C	S	.	.			trans	-143.9	141.1	163.7	72.2	-89.7	0	0	0	110.1	N359 F360 F393 V395 L501 I502 C503 P504 Y526 Y530	Y357-N359 WeakPolarHBondContact CD2-O 3.48Å; Y357-F360 HydrophobicContact CE2-CD1 4.06Å; Y357-F360 AromaticContact CE2-CE1 3.77Å; Y357-F360 HydrophobicContact CE2-CE1 3.77Å; Y357-F360 HydrophobicContact CE2-CZ 4.12Å; Y357-F360 AromaticContact CZ-CE1 3.84Å; Y357-F393 WeakPolarHBondContact CB-O 3.44Å; Y357-F393 HydrophobicContact CD1-CD1 4.39Å; Y357-V395 HydrophobicContact CD1-CG2 3.84Å; Y357-V395 HydrophobicContact CE1-CG2 3.62Å; Y357-V395 HydrophobicContact CE2-CG2 4.49Å; Y357-V395 HydrophobicContact CG-CG2 4.37Å; Y357-L501 HydrophobicContact CD1-CD1 4.02Å; Y357-L501 HydrophobicContact CD1-CD2 4.34Å; Y357-L501 HydrophobicContact CD1-CG 4.42Å; Y357-L501 HydrophobicContact CE1-CD1 4.41Å; Y357-L501 HydrophobicContact CE1-CD2 3.98Å; Y357-L501 HydrophobicContact CE1-CG 4.33Å; Y357-I502 PolarHBondContact N-O 3.13Å; Y357-C503 HydrophobicContact CD1-CB 3.82Å; Y357-C503 HydrophobicContact CD2-CB 4.28Å; Y357-C503 HydrophobicContact CE1-CB 3.31Å; Y357-C503 HydrophobicContact CE2-CB 3.83Å; Y357-C503 HydrophobicContact CG-CB 4.27Å; Y357-C503 WeakPolarHBondContact O-CA 3.35Å; Y357-P504 WeakPolarHBondContact O-CD 3.29Å; Y357-Y526 HydrophobicContact CE2-CE1 4.41Å; Y357-Y530 WeakPolarHBondContact CE1-OH 3.18Å; Y357-Y530 PolarHBondContact OH-OH 3.14Å
358	S	97.9	Very high	95.3	Very high	14 Å²	14	44.8 Å²	44.8	10%	0.098	24%	0.236	C	C	.	.	S	Bend	trans	-93.6	-19.3	179.3	-52.3	0	0	0	0	112.7	V368 P504	S358-V368 WeakPolarHBondContact O-CG2 3Å; S358-P504 VanDerWaalsContact O-CG 3.25Å; S358-P504 WeakPolarHBondContact O-CG 3.41Å
359	N	97.4	Very high	95.5	Very high	42 Å²	42	40.3 Å²	40.3	23%	0.225	21%	0.213	C	C	.	.	S	Bend	trans	-160.3	159	-175.4	-169	25.2	0	0	0	110.7	Y357 Q367 V368 Y526	Y357-N359 WeakPolarHBondContact CD2-O 3.48Å; N359-Q367 PolarHBondContact ND2-OE1 3.34Å; N359-V368 HydrophobicContact CB-CB 4.46Å; N359-V368 HydrophobicContact CB-CG2 4.39Å; N359-V368 PolarHBondContact OD1-N 3.19Å; N359-Y526 PolarHBondContact OD1-OH 3.17Å; N359-Y526 VanDerWaalsContact OD1-OH 3.09Å
360	F	96.9	Very high	95.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	21%	0.213	C	C	.	.			trans	-81.5	135.1	171.3	-67.1	-59.7	0	0	0	111	Y357 D362 L365 Q367 V395 P398 I525 Y526 L529	Y357-F360 HydrophobicContact CE2-CD1 4.06Å; Y357-F360 AromaticContact CE2-CE1 3.77Å; Y357-F360 HydrophobicContact CE2-CE1 3.77Å; Y357-F360 HydrophobicContact CE2-CZ 4.12Å; Y357-F360 AromaticContact CZ-CE1 3.84Å; F360-D362 PolarHBondContact O-N 2.82Å; F360-L365 HydrophobicContact CB-CD1 4.02Å; F360-L365 HydrophobicContact CD2-CD1 3.73Å; F360-L365 HydrophobicContact CE2-CD1 4.37Å; F360-L365 HydrophobicContact CG-CD1 3.9Å; F360-Q367 PolarHBondContact O-OE1 3.15Å; F360-V395 HydrophobicContact CD1-CB 4.04Å; F360-V395 HydrophobicContact CD1-CG1 4.32Å; F360-V395 HydrophobicContact CD1-CG2 4.2Å; F360-V395 HydrophobicContact CE1-CB 3.97Å; F360-V395 HydrophobicContact CE1-CG1 3.95Å; F360-V395 HydrophobicContact CE1-CG2 3.86Å; F360-P398 HydrophobicContact CB-CG 4.14Å; F360-P398 HydrophobicContact CD1-CB 3.66Å; F360-P398 HydrophobicContact CD1-CG 3.77Å; F360-P398 HydrophobicContact CE1-CB 3.82Å; F360-P398 HydrophobicContact CE1-CG 4.43Å; F360-P398 HydrophobicContact CG-CB 4.12Å; F360-P398 HydrophobicContact CG-CG 4.06Å; F360-P398 HydrophobicContact CZ-CB 4.42Å; F360-I525 HydrophobicContact CE2-CG1 4.05Å; F360-I525 HydrophobicContact CE2-CG2 4.01Å; F360-I525 HydrophobicContact CZ-CG1 4.4Å; F360-Y526 HydrophobicContact CD2-CD1 4.18Å; F360-Y526 AromaticContact CD2-CE1 3.51Å; F360-Y526 HydrophobicContact CD2-CE1 3.51Å; F360-Y526 HydrophobicContact CD2-CE2 4.06Å; F360-Y526 AromaticContact CD2-CZ 3.42Å; F360-Y526 VanDerWaalsContact CD2-CZ 3.42Å; F360-Y526 WeakPolarHBondContact CD2-OH 3.28Å; F360-Y526 AromaticContact CE2-CD1 3.56Å; F360-Y526 HydrophobicContact CE2-CD1 3.56Å; F360-Y526 HydrophobicContact CE2-CD2 4.12Å; F360-Y526 AromaticContact CE2-CE1 3.38Å; F360-Y526 HydrophobicContact CE2-CE1 3.38Å; F360-Y526 AromaticContact CE2-CE2 3.97Å; F360-Y526 HydrophobicContact CE2-CE2 3.97Å; F360-Y526 AromaticContact CE2-CG 3.92Å; F360-Y526 HydrophobicContact CE2-CG 3.92Å; F360-Y526 AromaticContact CE2-CZ 3.59Å; F360-Y526 HydrophobicContact CG-CE1 4.39Å; F360-Y526 HydrophobicContact CZ-CD1 4.13Å; F360-Y526 HydrophobicContact CZ-CE1 4.2Å; F360-L529 HydrophobicContact CE1-CD2 4.02Å; F360-L529 HydrophobicContact CZ-CD2 4.08Å
361	D	91.2	Very high	96.1	Very high	155 Å²	155	34 Å²	34	83%	0.829	18%	0.178	S	C	*	.	S	Bend	trans	-82.5	57.4	170.6	-167	20.2	0	0	0	110.7
362	D	92.8	Very high	96.2	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.123	16%	0.157	C	C	.	.			trans	-144.9	113	178.9	-166.2	-38.2	0	0	0	110.6	F360 N364 L365 Q367 P398 Y399	F360-D362 PolarHBondContact O-N 2.82Å; D362-N364 PolarHBondContact O-N 3.03Å; D362-N364 VanDerWaalsContact O-N 3.15Å; D362-N364 VanDerWaalsContact OD1-CB 3.26Å; D362-N364 WeakPolarHBondContact OD1-CB 3.48Å; D362-N364 PolarHBondContact OD1-N 2.81Å; D362-N364 PolarHBondContact OD1-ND2 3.08Å; D362-L365 HydrophobicContact CB-CD1 4.12Å; D362-L365 HydrophobicContact CB-CG 4.26Å; D362-L365 PolarHBondContact O-N 3.27Å; D362-L365 VanDerWaalsContact O-N 3.11Å; D362-Q367 PolarHBondContact O-NE2 2.88Å; D362-Q367 VanDerWaalsContact O-NE2 3.09Å; D362-P398 HydrophobicContact CB-CG 3.98Å; D362-Y399 WeakPolarHBondContact OD2-CB 3.24Å
363	P	87.2	Confident	96.2	Very high	99 Å²	99	30.8 Å²	30.8	64%	0.643	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.1	-178	30.6	-36.6	0	0	0	113.4	L365	P363-L365 VanDerWaalsContact C-N 3.28Å
364	N	89.5	Confident	96.1	Very high	39 Å²	39	34.1 Å²	34.1	21%	0.209	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2	173.2	-51.9	-73.8	0	0	0	112.7	D362 Y399 K457 P458	D362-N364 PolarHBondContact O-N 3.03Å; D362-N364 VanDerWaalsContact O-N 3.15Å; D362-N364 VanDerWaalsContact OD1-CB 3.26Å; D362-N364 WeakPolarHBondContact OD1-CB 3.48Å; D362-N364 PolarHBondContact OD1-N 2.81Å; D362-N364 PolarHBondContact OD1-ND2 3.08Å; N364-Y399 HydrophobicContact CB-CD1 4.26Å; N364-Y399 HydrophobicContact CB-CD2 3.51Å; N364-Y399 HydrophobicContact CB-CE1 4.44Å; N364-Y399 HydrophobicContact CB-CE2 3.71Å; N364-Y399 HydrophobicContact CB-CG 3.81Å; N364-K457 WeakPolarHBondContact OD1-CD 3.34Å; N364-K457 WeakPolarHBondContact OD1-CE 3.31Å; N364-K457 PolarHBondContact OD1-NZ 2.54Å; N364-P458 VanDerWaalsContact O-CB 3.27Å; N364-P458 WeakPolarHBondContact O-CB 3.38Å
365	L	94.3	Very high	96	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	-112.1	157	177.9	-63.5	179.6	0	0	0	111.4	F360 D362 P363 Q367 P398 Y399 F402 I525	F360-L365 HydrophobicContact CB-CD1 4.02Å; F360-L365 HydrophobicContact CD2-CD1 3.73Å; F360-L365 HydrophobicContact CE2-CD1 4.37Å; F360-L365 HydrophobicContact CG-CD1 3.9Å; D362-L365 HydrophobicContact CB-CD1 4.12Å; D362-L365 HydrophobicContact CB-CG 4.26Å; D362-L365 PolarHBondContact O-N 3.27Å; D362-L365 VanDerWaalsContact O-N 3.11Å; P363-L365 VanDerWaalsContact C-N 3.28Å; L365-Q367 PolarHBondContact O-NE2 2.96Å; L365-P398 HydrophobicContact CD1-CB 3.58Å; L365-P398 HydrophobicContact CD1-CG 3.61Å; L365-Y399 HydrophobicContact CD2-CD2 3.87Å; L365-Y399 HydrophobicContact CG-CD2 4.43Å; L365-F402 HydrophobicContact CD2-CB 4.46Å; L365-F402 HydrophobicContact CD2-CD1 3.89Å; L365-F402 HydrophobicContact CD2-CG 4.49Å; L365-I525 HydrophobicContact CD1-CG1 4.28Å; L365-I525 HydrophobicContact CD2-CG1 4.22Å; L365-I525 HydrophobicContact CD2-CG2 4.41Å
366	I	94.8	Very high	96	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.9	132.1	176.3	-170.9	167.2	0	0	0	109.8	P458 P507 Y508 P522 Y526 Y567 M568 V571	I366-P458 HydrophobicContact CB-CG 3.85Å; I366-P507 HydrophobicContact CD1-CG 4.26Å; I366-P507 HydrophobicContact CG1-CG 4.46Å; I366-P507 HydrophobicContact CG2-CB 4.44Å; I366-P507 HydrophobicContact CG2-CG 4.05Å; I366-Y508 HydrophobicContact CD1-CE1 3.89Å; I366-P522 HydrophobicContact CB-CB 4.47Å; I366-P522 HydrophobicContact CG2-CB 4.36Å; I366-Y526 HydrophobicContact CG2-CE2 3.97Å; I366-Y526 WeakPolarHBondContact O-CE2 3.39Å; I366-Y526 PolarHBondContact O-OH 3.4Å; I366-Y567 HydrophobicContact CD1-CE1 4.19Å; I366-Y567 HydrophobicContact CG1-CE1 4.26Å; I366-M568 HydrophobicContact CG1-SD 4.27Å; I366-V571 HydrophobicContact CD1-CG1 3.99Å; I366-V571 HydrophobicContact CD1-CG2 3.84Å; I366-V571 HydrophobicContact CG1-CG1 4.29Å; I366-V571 HydrophobicContact CG1-CG2 4.38Å
367	Q	95.9	Very high	96	Very high	48 Å²	48	35 Å²	35	22%	0.224	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-86.4	148.2	-177.1	-51.8	-62.1	-65	0	0	110.5	N359 F360 D362 L365 M568	N359-Q367 PolarHBondContact ND2-OE1 3.34Å; F360-Q367 PolarHBondContact O-OE1 3.15Å; D362-Q367 PolarHBondContact O-NE2 2.88Å; D362-Q367 VanDerWaalsContact O-NE2 3.09Å; L365-Q367 PolarHBondContact O-NE2 2.96Å; Q367-M568 HydrophobicContact CB-CE 3.76Å; Q367-M568 HydrophobicContact CB-SD 4.1Å; Q367-M568 HydrophobicContact CG-CE 4.48Å; Q367-M568 HydrophobicContact CG-SD 4.26Å
368	V	98	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-79.1	137.5	179.8	-175.4	0	0	0	0	110.4	S358 N359 N372 Q373 P504 P507 Y526	S358-V368 WeakPolarHBondContact O-CG2 3Å; N359-V368 HydrophobicContact CB-CB 4.46Å; N359-V368 HydrophobicContact CB-CG2 4.39Å; N359-V368 PolarHBondContact OD1-N 3.19Å; V368-N372 HydrophobicContact CG1-CB 3.35Å; V368-Q373 HydrophobicContact CB-CG 3.87Å; V368-Q373 HydrophobicContact CG1-CG 3.71Å; V368-Q373 PolarHBondContact O-NE2 3.3Å; V368-P504 HydrophobicContact CG1-CB 4.23Å; V368-P504 HydrophobicContact CG1-CG 3.96Å; V368-P504 HydrophobicContact CG2-CB 4.35Å; V368-P504 HydrophobicContact CG2-CG 4.04Å; V368-P507 HydrophobicContact CG2-CB 4.23Å; V368-Y526 HydrophobicContact CG2-CD1 4.3Å; V368-Y526 HydrophobicContact CG2-CE1 3.36Å; V368-Y526 HydrophobicContact CG2-CE2 4.13Å; V368-Y526 WeakPolarHBondContact CG2-OH 3.38Å
369	L	98.3	Very high	95.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-65.5	149.1	172.7	-89.3	60	0	0	0	110.8	V371 N372 Q373 P507 Y508 V571 Y572 L575	L369-V371 HydrophobicContact CB-CG1 4.07Å; L369-V371 PolarHBondContact O-N 3.44Å; L369-V371 VanDerWaalsContact O-N 3.12Å; L369-N372 PolarHBondContact O-N 3.2Å; L369-Q373 PolarHBondContact O-N 3.32Å; L369-P507 PolarHBondContact N-O 2.89Å; L369-Y508 HydrophobicContact CD1-CD1 4.19Å; L369-V571 HydrophobicContact CD1-CG1 3.78Å; L369-Y572 HydrophobicContact CB-CE1 4.4Å; L369-Y572 HydrophobicContact CD1-CD1 4.44Å; L369-Y572 HydrophobicContact CD1-CD2 4.28Å; L369-Y572 HydrophobicContact CD1-CE2 4.37Å; L369-Y572 HydrophobicContact CD1-CG 4.32Å; L369-Y572 HydrophobicContact CG-CD1 3.87Å; L369-Y572 HydrophobicContact CG-CE1 3.9Å; L369-Y572 HydrophobicContact CG-CG 4.21Å; L369-L575 HydrophobicContact CD2-CB 3.99Å; L369-L575 HydrophobicContact CD2-CD2 4.2Å
370	D	98.3	Very high	95.9	Very high	77 Å²	77	35.8 Å²	35.8	41%	0.412	18%	0.183	S	C	.	.	H	α-helix	trans	-53	-37.1	-179.1	-60.2	-37.2	0	0	0	112.8	N372 Q373 R374	D370-N372 PolarHBondContact O-N 3.45Å; D370-Q373 PolarHBondContact O-N 3.29Å; D370-R374 VanDerWaalsContact O-CB 3.25Å; D370-R374 WeakPolarHBondContact O-CB 3.25Å; D370-R374 PolarHBondContact O-N 2.83Å
371	V	98.2	Very high	96	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-38.6	177	61.8	0	0	0	0	113.2	L369 V375 P509 V545 D549 L575 L583	L369-V371 HydrophobicContact CB-CG1 4.07Å; L369-V371 PolarHBondContact O-N 3.44Å; L369-V371 VanDerWaalsContact O-N 3.12Å; V371-V375 PolarHBondContact O-N 2.82Å; V371-P509 HydrophobicContact CG1-CG 4.33Å; V371-V545 HydrophobicContact CG2-CG2 4.39Å; V371-D549 HydrophobicContact CB-CB 3.94Å; V371-D549 HydrophobicContact CG2-CB 3.74Å; V371-D549 WeakPolarHBondContact CG2-OD1 3.43Å; V371-L575 HydrophobicContact CG1-CD2 3.88Å; V371-L583 HydrophobicContact CG2-CD1 3.67Å; V371-L583 HydrophobicContact CG2-CD2 3.89Å; V371-L583 HydrophobicContact CG2-CG 4.43Å
372	N	98.4	Very high	96.3	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-77.9	-33	177.6	-75.2	60.3	0	0	0	111.3	V368 L369 D370 V375 F506 Y508 P509	V368-N372 HydrophobicContact CG1-CB 3.35Å; L369-N372 PolarHBondContact O-N 3.2Å; D370-N372 PolarHBondContact O-N 3.45Å; N372-V375 WeakPolarHBondContact O-CG2 3.4Å; N372-F506 PolarHBondContact ND2-O 3.16Å; N372-Y508 WeakPolarHBondContact OD1-CA 3.48Å; N372-P509 VanDerWaalsContact OD1-CD 3.24Å; N372-P509 WeakPolarHBondContact OD1-CD 3.32Å
373	Q	98.4	Very high	96.5	Very high	38 Å²	38	34.6 Å²	34.6	18%	0.178	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-44.8	172.5	-62.3	-170.2	52.6	0	0	111.1	V368 L369 D370 V375 V376 E377	V368-Q373 HydrophobicContact CB-CG 3.87Å; V368-Q373 HydrophobicContact CG1-CG 3.71Å; V368-Q373 PolarHBondContact O-NE2 3.3Å; L369-Q373 PolarHBondContact O-N 3.32Å; D370-Q373 PolarHBondContact O-N 3.29Å; Q373-V375 VanDerWaalsContact C-N 3.32Å; Q373-V375 PolarHBondContact O-N 3.24Å; Q373-V376 PolarHBondContact O-N 2.97Å; Q373-V376 VanDerWaalsContact O-N 3.13Å; Q373-E377 PolarHBondContact O-N 2.91Å
374	R	96.7	Very high	97	Very high	83 Å²	83	35.4 Å²	35.4	31%	0.313	17%	0.169	S	C	.	.	H	α-helix	trans	-54	-43.6	179.3	177.6	-179.4	63.7	67.5	-9.5	112.6	D370 E377 K378 D549	D370-R374 VanDerWaalsContact O-CB 3.25Å; D370-R374 WeakPolarHBondContact O-CB 3.25Å; D370-R374 PolarHBondContact O-N 2.83Å; R374-E377 PolarHBondContact O-N 3.4Å; R374-K378 VanDerWaalsContact O-CB 3.29Å; R374-K378 WeakPolarHBondContact O-CB 3.24Å; R374-K378 PolarHBondContact O-N 3.28Å; R374-D549 IonicContact CZ-OD1 3.53Å; R374-D549 IonicContact CZ-OD2 2.83Å; R374-D549 IonicContact NE-OD1 3.58Å; R374-D549 PolarHBondContact NE-OD1 2.82Å; R374-D549 VanDerWaalsContact NE-OD1 3.09Å; R374-D549 IonicContact NH2-OD1 2.76Å; R374-D549 PolarHBondContact NH2-OD1 2.69Å; R374-D549 IonicContact NH2-OD2 3.94Å; R374-D549 PolarHBondContact NH2-OD2 2.83Å
375	V	96.7	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-34.8	-179.2	-66.8	0	0	0	0	112.5	V371 N372 Q373 K378 A379 A542 L583 I585	V371-V375 PolarHBondContact O-N 2.82Å; N372-V375 WeakPolarHBondContact O-CG2 3.4Å; Q373-V375 VanDerWaalsContact C-N 3.32Å; Q373-V375 PolarHBondContact O-N 3.24Å; V375-K378 PolarHBondContact O-N 3.4Å; V375-A379 WeakPolarHBondContact O-CB 3.44Å; V375-A379 PolarHBondContact O-N 3.19Å; V375-A542 HydrophobicContact CB-CB 4.28Å; V375-A542 WeakPolarHBondContact CG1-O 3.16Å; V375-L583 HydrophobicContact CG1-CB 4.1Å; V375-L583 HydrophobicContact CG1-CD1 3.61Å; V375-L583 HydrophobicContact CG1-CG 4.41Å; V375-L583 HydrophobicContact CG2-CB 4.49Å; V375-I585 HydrophobicContact CB-CG1 4.47Å; V375-I585 HydrophobicContact CG2-CG1 4.27Å; V375-I585 WeakPolarHBondContact O-CD1 3.29Å
376	V	98.3	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-45.7	173.6	177.1	0	0	0	0	110.6	Q373 K378 A379 A380 I502 P504 I585	Q373-V376 PolarHBondContact O-N 2.97Å; Q373-V376 VanDerWaalsContact O-N 3.13Å; V376-K378 VanDerWaalsContact C-N 3.33Å; V376-K378 PolarHBondContact O-N 3.27Å; V376-A379 PolarHBondContact O-N 3.29Å; V376-A380 PolarHBondContact O-N 3.49Å; V376-I502 HydrophobicContact CG1-CD1 4.47Å; V376-I502 HydrophobicContact CG1-CG1 4.36Å; V376-P504 HydrophobicContact CG2-CG 3.92Å; V376-I585 HydrophobicContact CG2-CG1 4.46Å
377	E	97.9	Very high	97.5	Very high	85 Å²	85	43.1 Å²	43.1	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-39	177.4	-68.4	175.7	-172.6	0	0	112.4	Q373 R374 A380 K381	Q373-E377 PolarHBondContact O-N 2.91Å; R374-E377 PolarHBondContact O-N 3.4Å; E377-A380 PolarHBondContact O-N 2.93Å; E377-K381 WeakPolarHBondContact O-CG 3.41Å; E377-K381 PolarHBondContact O-N 3.23Å
378	K	96.9	Very high	97.6	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-42.4	175.3	-176.1	172.8	176.5	-179.4	0	111.5	R374 V375 V376 K381 A382 F608	R374-K378 VanDerWaalsContact O-CB 3.29Å; R374-K378 WeakPolarHBondContact O-CB 3.24Å; R374-K378 PolarHBondContact O-N 3.28Å; V375-K378 PolarHBondContact O-N 3.4Å; V376-K378 VanDerWaalsContact C-N 3.33Å; V376-K378 PolarHBondContact O-N 3.27Å; K378-K381 PolarHBondContact O-N 3.09Å; K378-A382 WeakPolarHBondContact O-CB 3.47Å; K378-A382 PolarHBondContact O-N 3.24Å; K378-F608 HydrophobicContact CB-CZ 4.19Å; K378-F608 HydrophobicContact CD-CE1 3.75Å; K378-F608 HydrophobicContact CD-CZ 3.93Å; K378-F608 HydrophobicContact CG-CE1 4.3Å; K378-F608 HydrophobicContact CG-CZ 3.96Å
379	A	97.9	Very high	97.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-38.7	174.7	0	0	0	0	0	113	V375 V376 K381 A382 L383 I502 I585 I604 F608	V375-A379 WeakPolarHBondContact O-CB 3.44Å; V375-A379 PolarHBondContact O-N 3.19Å; V376-A379 PolarHBondContact O-N 3.29Å; A379-K381 VanDerWaalsContact C-N 3.33Å; A379-K381 PolarHBondContact O-N 3.33Å; A379-A382 PolarHBondContact O-N 2.77Å; A379-L383 WeakPolarHBondContact O-CB 3.48Å; A379-L383 WeakPolarHBondContact O-CG 3.43Å; A379-L383 PolarHBondContact O-N 3.26Å; A379-I502 HydrophobicContact CB-CD1 4.21Å; A379-I585 HydrophobicContact CB-CD1 3.31Å; A379-I604 HydrophobicContact CB-CD1 4.4Å; A379-I604 HydrophobicContact CB-CG1 4.3Å; A379-I604 HydrophobicContact CB-CG2 4.43Å; A379-F608 HydrophobicContact CB-CE2 4.09Å
380	A	98.3	Very high	97.6	Very high	7 Å²	7	49.3 Å²	49.3	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-49.3	173.7	0	0	0	0	0	110.8	Y356 V376 E377 A382 L383 E384 L390 I502	Y356-A380 HydrophobicContact CD1-CB 4.3Å; Y356-A380 HydrophobicContact CD2-CB 4.22Å; Y356-A380 HydrophobicContact CG-CB 4.1Å; V376-A380 PolarHBondContact O-N 3.49Å; E377-A380 PolarHBondContact O-N 2.93Å; A380-A382 VanDerWaalsContact C-N 3.34Å; A380-A382 PolarHBondContact O-N 2.97Å; A380-L383 PolarHBondContact O-N 3.08Å; A380-E384 WeakPolarHBondContact O-CB 3.35Å; A380-E384 PolarHBondContact O-N 2.92Å; A380-L390 HydrophobicContact CB-CD1 3.98Å; A380-L390 HydrophobicContact CB-CG 4.35Å; A380-L390 WeakPolarHBondContact O-CG 3.36Å; A380-I502 HydrophobicContact CB-CD1 3.98Å
381	K	97.9	Very high	97.6	Very high	133 Å²	133	47 Å²	47	58%	0.578	25%	0.248	S	C	*	.	H	α-helix	trans	-62	-39.5	176.5	-70.2	174.1	-176.5	175.9	0	112.8	E377 K378 A379 E384 S385	E377-K381 WeakPolarHBondContact O-CG 3.41Å; E377-K381 PolarHBondContact O-N 3.23Å; K378-K381 PolarHBondContact O-N 3.09Å; A379-K381 VanDerWaalsContact C-N 3.33Å; A379-K381 PolarHBondContact O-N 3.33Å; K381-E384 PolarHBondContact O-N 2.98Å; K381-S385 WeakPolarHBondContact O-CB 3.43Å; K381-S385 PolarHBondContact O-N 3.4Å; K381-S385 PolarHBondContact O-OG 3.45Å
382	A	96.9	Very high	97.6	Very high	25 Å²	25	54.2 Å²	54.2	21%	0.207	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-43.4	178.8	0	0	0	0	0	111.8	K378 A379 A380 S385 A386 C607	K378-A382 WeakPolarHBondContact O-CB 3.47Å; K378-A382 PolarHBondContact O-N 3.24Å; A379-A382 PolarHBondContact O-N 2.77Å; A380-A382 VanDerWaalsContact C-N 3.34Å; A380-A382 PolarHBondContact O-N 2.97Å; A382-S385 WeakPolarHBondContact O-CB 3.49Å; A382-S385 PolarHBondContact O-N 3.18Å; A382-A386 PolarHBondContact O-N 2.84Å; A382-C607 HydrophobicContact CB-CB 3.92Å
383	L	98.1	Very high	97.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-38	175.3	-70.3	166.5	0	0	0	111.9	I354 A379 A380 S385 A386 G387 H388 L390 I502 V600 E603 I604	I354-L383 HydrophobicContact CD1-CB 4.42Å; I354-L383 HydrophobicContact CD1-CD1 3.98Å; I354-L383 HydrophobicContact CD1-CD2 4.25Å; I354-L383 HydrophobicContact CD1-CG 4.46Å; I354-L383 HydrophobicContact CG2-CD1 4.4Å; A379-L383 WeakPolarHBondContact O-CB 3.48Å; A379-L383 WeakPolarHBondContact O-CG 3.43Å; A379-L383 PolarHBondContact O-N 3.26Å; A380-L383 PolarHBondContact O-N 3.08Å; L383-S385 VanDerWaalsContact C-N 3.32Å; L383-S385 PolarHBondContact O-N 3.4Å; L383-A386 PolarHBondContact O-N 3.27Å; L383-G387 PolarHBondContact O-N 3.04Å; L383-H388 HydrophobicContact CB-CB 4.45Å; L383-H388 WeakPolarHBondContact O-CB 3.32Å; L383-H388 PolarHBondContact O-CD2 3.05Å; L383-H388 VanDerWaalsContact O-CD2 3.28Å; L383-H388 PolarHBondContact O-N 3.38Å; L383-L390 HydrophobicContact CB-CD2 4.07Å; L383-I502 HydrophobicContact CD1-CD1 4.05Å; L383-I502 HydrophobicContact CD1-CG2 4.22Å; L383-V600 HydrophobicContact CD1-CG1 4.1Å; L383-V600 HydrophobicContact CD2-CG1 4.39Å; L383-E603 HydrophobicContact CD2-CB 3.99Å; L383-I604 HydrophobicContact CD1-CD1 4.19Å; L383-I604 HydrophobicContact CD1-CG1 4.05Å; L383-I604 HydrophobicContact CD2-CG1 4.33Å; L383-I604 HydrophobicContact CG-CG1 4.3Å
384	E	98	Very high	97.5	Very high	115 Å²	115	56.8 Å²	56.8	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-44	173.2	-173.5	172.4	-128	0	0	110.8	A380 K381 A386 G387 L390	A380-E384 WeakPolarHBondContact O-CB 3.35Å; A380-E384 PolarHBondContact O-N 2.92Å; K381-E384 PolarHBondContact O-N 2.98Å; E384-A386 VanDerWaalsContact C-N 3.26Å; E384-A386 PolarHBondContact O-N 2.99Å; E384-G387 PolarHBondContact O-N 3.19Å; E384-L390 HydrophobicContact CB-CD2 3.75Å; E384-L390 HydrophobicContact CB-CG 4.16Å
385	S	96.8	Very high	97.6	Very high	107 Å²	107	53.5 Å²	53.5	75%	0.748	29%	0.286	S	S	*	.	H	α-helix	trans	-65.1	-29.1	175.8	-55.9	0	0	0	0	112.8	K381 A382 L383 G387	K381-S385 WeakPolarHBondContact O-CB 3.43Å; K381-S385 PolarHBondContact O-N 3.4Å; K381-S385 PolarHBondContact O-OG 3.45Å; A382-S385 WeakPolarHBondContact O-CB 3.49Å; A382-S385 PolarHBondContact O-N 3.18Å; L383-S385 VanDerWaalsContact C-N 3.32Å; L383-S385 PolarHBondContact O-N 3.4Å; S385-G387 PolarHBondContact O-N 3.47Å
386	A	95.7	Very high	97.6	Very high	63 Å²	63	54.3 Å²	54.3	52%	0.521	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.7	172.6	0	0	0	0	0	113.4	A382 L383 E384	A382-A386 PolarHBondContact O-N 2.84Å; L383-A386 PolarHBondContact O-N 3.27Å; E384-A386 VanDerWaalsContact C-N 3.26Å; E384-A386 PolarHBondContact O-N 2.99Å
387	G	96.6	Very high	97.6	Very high	37 Å²	37	60.1 Å²	60.1	38%	0.381	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	8.1	174.6	0	0	0	0	0	114.7	Q351 L383 E384 S385	Q351-G387 VanDerWaalsContact CG-O 3.25Å; Q351-G387 WeakPolarHBondContact CG-O 3.18Å; Q351-G387 PolarHBondContact NE2-O 2.83Å; L383-G387 PolarHBondContact O-N 3.04Å; E384-G387 PolarHBondContact O-N 3.19Å; S385-G387 PolarHBondContact O-N 3.47Å
388	H	97.9	Very high	97.5	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.046	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-79.3	153.9	174.1	-60.7	-75.1	0	0	0	111.8	L352 I354 L383 L390 E603	L352-H388 WeakPolarHBondContact CB-ND1 3.44Å; L352-H388 PolarHBondContact N-ND1 3.46Å; L352-H388 VanDerWaalsContact N-ND1 3.14Å; I354-H388 HydrophobicContact CD1-CB 3.9Å; I354-H388 HydrophobicContact CG1-CB 4.43Å; L383-H388 HydrophobicContact CB-CB 4.45Å; L383-H388 WeakPolarHBondContact O-CB 3.32Å; L383-H388 PolarHBondContact O-CD2 3.05Å; L383-H388 VanDerWaalsContact O-CD2 3.28Å; L383-H388 PolarHBondContact O-N 3.38Å; H388-L390 HydrophobicContact CB-CD2 4.02Å; H388-E603 IonicContact CD2-OE2 3.21Å; H388-E603 IonicContact CE1-OE2 3.77Å; H388-E603 IonicContact NE2-OE1 3.7Å; H388-E603 IonicContact NE2-OE2 3.54Å; H388-E603 PolarHBondContact NE2-OE2 2.67Å
389	R	98	Very high	97.5	Very high	143 Å²	143	55 Å²	55	54%	0.54	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.3	171.6	177.4	179	171.9	-176.1	-2.9	109.2	L352 V353 I354 V391	L352-R389 PolarHBondContact O-N 3.4Å; V353-R389 CarbonylContact C-O 3.58Å; V353-R389 WeakPolarHBondContact CA-O 3.41Å; V353-R389 HydrophobicContact CG1-CG 4.44Å; V353-R389 HydrophobicContact CG2-CB 4.48Å; I354-R389 PolarHBondContact N-O 3.02Å; R389-V391 HydrophobicContact CG-CG2 4.44Å
390	L	98.1	Very high	97.4	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.131	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.9	178.6	-79.7	-71.4	0	0	0	110.8	I354 Y356 A380 L383 E384 H388	I354-L390 HydrophobicContact CB-CD1 4.01Å; I354-L390 HydrophobicContact CG2-CD1 4.02Å; I354-L390 CarbonylContact O-C 3.4Å; I354-L390 WeakPolarHBondContact O-CA 3.28Å; Y356-L390 HydrophobicContact CD1-CB 4.24Å; Y356-L390 HydrophobicContact CD1-CD1 4.04Å; Y356-L390 HydrophobicContact CE1-CB 4.18Å; A380-L390 HydrophobicContact CB-CD1 3.98Å; A380-L390 HydrophobicContact CB-CG 4.35Å; A380-L390 WeakPolarHBondContact O-CG 3.36Å; L383-L390 HydrophobicContact CB-CD2 4.07Å; E384-L390 HydrophobicContact CB-CD2 3.75Å; E384-L390 HydrophobicContact CB-CG 4.16Å; H388-L390 HydrophobicContact CB-CD2 4.02Å
391	V	98	Very high	97.4	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.17	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.5	176.9	-175	0	0	0	0	109.9	V353 I354 G355 Y356 R389 F393 A495 L498	V353-V391 HydrophobicContact CG1-CG2 3.88Å; I354-V391 PolarHBondContact O-N 3.15Å; G355-V391 CarbonylContact C-O 3.59Å; G355-V391 WeakPolarHBondContact CA-O 3.49Å; Y356-V391 VanDerWaalsContact CD1-O 3.31Å; Y356-V391 WeakPolarHBondContact CD1-O 3.22Å; Y356-V391 PolarHBondContact N-O 3.47Å; R389-V391 HydrophobicContact CG-CG2 4.44Å; V391-F393 PolarHBondContact O-N 2.9Å; V391-A495 WeakPolarHBondContact CG1-O 3.28Å; V391-L498 HydrophobicContact CB-CD2 4.32Å
392	K	97.2	Very high	97.3	Very high	157 Å²	157	52.7 Å²	52.7	68%	0.683	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.3	171.4	-173.2	174.7	-179.4	177.2	0	109.1	Y356	Y356-K392 HydrophobicContact CE1-CB 4.37Å
393	F	98	Very high	97.3	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	29%	0.285	C	S	.	.			trans	-105.9	132.5	-179.5	-174.5	-112.2	0	0	0	110.4	Y356 Y357 V391 V395 F488 A491 A495 L498 L501	Y356-F393 PolarHBondContact O-N 2.75Å; Y357-F393 WeakPolarHBondContact CB-O 3.44Å; Y357-F393 HydrophobicContact CD1-CD1 4.39Å; V391-F393 PolarHBondContact O-N 2.9Å; F393-V395 HydrophobicContact CD1-CG2 3.94Å; F393-V395 HydrophobicContact CE1-CG2 3.85Å; F393-F488 AromaticContact CE1-CE2 3.99Å; F393-F488 HydrophobicContact CE1-CE2 3.99Å; F393-F488 AromaticContact CE1-CZ 3.86Å; F393-F488 HydrophobicContact CE1-CZ 3.86Å; F393-F488 HydrophobicContact CZ-CE2 4.29Å; F393-F488 HydrophobicContact CZ-CZ 4.13Å; F393-A491 HydrophobicContact CE2-CB 4.28Å; F393-A491 HydrophobicContact CZ-CB 4.31Å; F393-A495 HydrophobicContact CD2-CB 3.8Å; F393-A495 HydrophobicContact CE2-CB 4.2Å; F393-L498 HydrophobicContact CD2-CD1 3.73Å; F393-L498 HydrophobicContact CE2-CD1 4.12Å; F393-L498 HydrophobicContact CG-CD1 4.21Å; F393-L501 HydrophobicContact CB-CD1 3.76Å; F393-L501 HydrophobicContact CD1-CD1 3.78Å; F393-L501 HydrophobicContact CD1-CD2 3.81Å; F393-L501 HydrophobicContact CD1-CG 4.47Å; F393-L501 HydrophobicContact CE1-CD2 3.99Å; F393-L501 HydrophobicContact CG-CD1 3.98Å
394	T	97.7	Very high	97.3	Very high	94 Å²	94	54.2 Å²	54.2	58%	0.577	29%	0.287	S	S	*	.			trans	-104.6	117	171.4	-59.8	0	0	0	0	108.4	P396	T394-P396 WeakPolarHBondContact O-CD 3.24Å
395	V	98.1	Very high	97.3	Very high	14 Å²	14	48.7 Å²	48.7	9%	0.085	26%	0.262	C	S	.	.			trans	-69	123.6	177.4	175.8	0	0	0	0	109.2	Y357 F360 F393 H397 P398 F488 L529	Y357-V395 HydrophobicContact CD1-CG2 3.84Å; Y357-V395 HydrophobicContact CE1-CG2 3.62Å; Y357-V395 HydrophobicContact CE2-CG2 4.49Å; Y357-V395 HydrophobicContact CG-CG2 4.37Å; F360-V395 HydrophobicContact CD1-CB 4.04Å; F360-V395 HydrophobicContact CD1-CG1 4.32Å; F360-V395 HydrophobicContact CD1-CG2 4.2Å; F360-V395 HydrophobicContact CE1-CB 3.97Å; F360-V395 HydrophobicContact CE1-CG1 3.95Å; F360-V395 HydrophobicContact CE1-CG2 3.86Å; F393-V395 HydrophobicContact CD1-CG2 3.94Å; F393-V395 HydrophobicContact CE1-CG2 3.85Å; V395-H397 PolarHBondContact O-N 2.94Å; V395-P398 HydrophobicContact CG1-CB 3.86Å; V395-P398 HydrophobicContact CG1-CG 4.41Å; V395-P398 WeakPolarHBondContact O-CD 3.44Å; V395-F488 HydrophobicContact CG1-CD2 4.45Å; V395-F488 HydrophobicContact CG1-CE2 4.05Å; V395-L529 HydrophobicContact CG1-CD2 3.73Å
396	P	97.8	Very high	97.3	Very high	18 Å²	18	44 Å²	44	12%	0.117	23%	0.228	C	C	.	.	S	Bend	trans	-71.8	127.4	179.4	27.8	-33	0	0	0	110.5	T394 Y484 E487 F488 A491	T394-P396 WeakPolarHBondContact O-CD 3.24Å; P396-Y484 WeakPolarHBondContact O-CE2 3.48Å; P396-Y484 PolarHBondContact O-OH 3.43Å; P396-E487 HydrophobicContact CB-CG 4.26Å; P396-F488 HydrophobicContact CG-CB 4.34Å; P396-F488 HydrophobicContact CG-CD2 4.05Å; P396-A491 HydrophobicContact CB-CB 4.48Å; P396-A491 HydrophobicContact CG-CB 3.86Å
397	H	97.4	Very high	97.3	Very high	121 Å²	121	43 Å²	43	56%	0.56	21%	0.212	S	C	*	.	S	Bend	trans	39.1	57.3	171.9	-52	96.3	0	0	0	115.1	V395 Y399 K400 A401 Y484 E487	V395-H397 PolarHBondContact O-N 2.94Å; H397-Y399 VanDerWaalsContact C-N 3.27Å; H397-Y399 PolarHBondContact O-N 3.14Å; H397-K400 HydrophobicContact CB-CB 4.06Å; H397-K400 HydrophobicContact CB-CD 4.49Å; H397-K400 WeakPolarHBondContact O-CB 3.42Å; H397-K400 PolarHBondContact O-N 3.12Å; H397-K400 VanDerWaalsContact O-N 3.09Å; H397-A401 PolarHBondContact O-N 3.26Å; H397-Y484 HydrophobicContact CB-CE2 4.47Å; H397-E487 IonicContact CE1-OE1 3.28Å; H397-E487 PolarHBondContact CE1-OE1 3.15Å; H397-E487 IonicContact CG-OE1 3.82Å; H397-E487 IonicContact ND1-OE1 2.97Å; H397-E487 PolarHBondContact ND1-OE1 3.44Å
398	P	97.2	Very high	97.4	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-31.8	-173.6	26.7	-35.6	0	0	0	112.9	F360 D362 L365 V395 A401 F402	F360-P398 HydrophobicContact CB-CG 4.14Å; F360-P398 HydrophobicContact CD1-CB 3.66Å; F360-P398 HydrophobicContact CD1-CG 3.77Å; F360-P398 HydrophobicContact CE1-CB 3.82Å; F360-P398 HydrophobicContact CE1-CG 4.43Å; F360-P398 HydrophobicContact CG-CB 4.12Å; F360-P398 HydrophobicContact CG-CG 4.06Å; F360-P398 HydrophobicContact CZ-CB 4.42Å; D362-P398 HydrophobicContact CB-CG 3.98Å; L365-P398 HydrophobicContact CD1-CB 3.58Å; L365-P398 HydrophobicContact CD1-CG 3.61Å; V395-P398 HydrophobicContact CG1-CB 3.86Å; V395-P398 HydrophobicContact CG1-CG 4.41Å; V395-P398 WeakPolarHBondContact O-CD 3.44Å; P398-A401 WeakPolarHBondContact O-CB 3.47Å; P398-A401 PolarHBondContact O-N 3.27Å; P398-F402 PolarHBondContact O-N 2.86Å
399	Y	95.8	Very high	97.3	Very high	44 Å²	44	41.2 Å²	41.2	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-40.6	175.3	-178.1	-107.1	0	0	0	112.2	D362 N364 L365 H397 A401 F402 I403	D362-Y399 WeakPolarHBondContact OD2-CB 3.24Å; N364-Y399 HydrophobicContact CB-CD1 4.26Å; N364-Y399 HydrophobicContact CB-CD2 3.51Å; N364-Y399 HydrophobicContact CB-CE1 4.44Å; N364-Y399 HydrophobicContact CB-CE2 3.71Å; N364-Y399 HydrophobicContact CB-CG 3.81Å; L365-Y399 HydrophobicContact CD2-CD2 3.87Å; L365-Y399 HydrophobicContact CG-CD2 4.43Å; H397-Y399 VanDerWaalsContact C-N 3.27Å; H397-Y399 PolarHBondContact O-N 3.14Å; Y399-A401 VanDerWaalsContact C-N 3.33Å; Y399-A401 PolarHBondContact O-N 3.43Å; Y399-F402 WeakPolarHBondContact O-CB 3.34Å; Y399-F402 PolarHBondContact O-N 3.02Å; Y399-F402 VanDerWaalsContact O-N 3.11Å; Y399-I403 HydrophobicContact CD1-CG1 4.25Å; Y399-I403 HydrophobicContact CE1-CD1 4.09Å; Y399-I403 HydrophobicContact CE1-CG1 3.93Å; Y399-I403 HydrophobicContact CE2-CD1 4.1Å; Y399-I403 HydrophobicContact CE2-CG1 4.45Å; Y399-I403 WeakPolarHBondContact O-CG1 3.47Å; Y399-I403 PolarHBondContact O-N 2.95Å
400	K	96.3	Very high	97.2	Very high	83 Å²	83	35 Å²	35	36%	0.361	17%	0.171	S	C	.	.	H	α-helix	trans	-58.3	-46.3	174.5	177.8	-174.6	171.6	-169.7	0	110.8	H397 F402 I403 L404 Y484 E487	H397-K400 HydrophobicContact CB-CB 4.06Å; H397-K400 HydrophobicContact CB-CD 4.49Å; H397-K400 WeakPolarHBondContact O-CB 3.42Å; H397-K400 PolarHBondContact O-N 3.12Å; H397-K400 VanDerWaalsContact O-N 3.09Å; K400-F402 VanDerWaalsContact C-N 3.27Å; K400-F402 PolarHBondContact O-N 3.47Å; K400-I403 PolarHBondContact O-N 2.8Å; K400-L404 HydrophobicContact CG-CD1 4.07Å; K400-L404 VanDerWaalsContact O-CG 3.31Å; K400-L404 WeakPolarHBondContact O-CG 3.2Å; K400-L404 PolarHBondContact O-N 3.3Å; K400-Y484 HydrophobicContact CD-CD2 4.44Å; K400-E487 IonicContact NZ-OE2 3.61Å
401	A	97.7	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-46.1	175	0	0	0	0	0	111.3	H397 P398 Y399 I403 L404 G405 Y484 L529 I532	H397-A401 PolarHBondContact O-N 3.26Å; P398-A401 WeakPolarHBondContact O-CB 3.47Å; P398-A401 PolarHBondContact O-N 3.27Å; Y399-A401 VanDerWaalsContact C-N 3.33Å; Y399-A401 PolarHBondContact O-N 3.43Å; A401-I403 PolarHBondContact O-N 2.96Å; A401-L404 PolarHBondContact O-N 3.03Å; A401-G405 PolarHBondContact O-N 3.35Å; A401-Y484 HydrophobicContact CB-CD1 3.91Å; A401-Y484 HydrophobicContact CB-CD2 4.38Å; A401-Y484 HydrophobicContact CB-CE1 3.34Å; A401-Y484 HydrophobicContact CB-CE2 3.87Å; A401-Y484 HydrophobicContact CB-CG 4.4Å; A401-L529 HydrophobicContact CB-CD1 3.71Å; A401-I532 WeakPolarHBondContact O-CD1 3.44Å
402	F	96.8	Very high	97	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-44.8	-178.3	-166.9	-148.3	0	0	0	112.3	L365 P398 Y399 K400 G405 L406 I524 I525 F528	L365-F402 HydrophobicContact CD2-CB 4.46Å; L365-F402 HydrophobicContact CD2-CD1 3.89Å; L365-F402 HydrophobicContact CD2-CG 4.49Å; P398-F402 PolarHBondContact O-N 2.86Å; Y399-F402 WeakPolarHBondContact O-CB 3.34Å; Y399-F402 PolarHBondContact O-N 3.02Å; Y399-F402 VanDerWaalsContact O-N 3.11Å; K400-F402 VanDerWaalsContact C-N 3.27Å; K400-F402 PolarHBondContact O-N 3.47Å; F402-G405 PolarHBondContact O-N 3.44Å; F402-L406 HydrophobicContact CD1-CD1 4.26Å; F402-L406 HydrophobicContact CD2-CD1 3.96Å; F402-L406 HydrophobicContact CD2-CG 3.97Å; F402-L406 HydrophobicContact CE1-CD1 3.97Å; F402-L406 HydrophobicContact CE2-CD1 3.65Å; F402-L406 HydrophobicContact CE2-CD2 4.04Å; F402-L406 HydrophobicContact CE2-CG 3.77Å; F402-L406 HydrophobicContact CG-CD1 4.26Å; F402-L406 HydrophobicContact CZ-CD1 3.67Å; F402-L406 HydrophobicContact CZ-CG 4.28Å; F402-L406 WeakPolarHBondContact O-CB 3.4Å; F402-L406 WeakPolarHBondContact O-CG 3.19Å; F402-L406 PolarHBondContact O-N 3.39Å; F402-I524 HydrophobicContact CE2-CD1 4.3Å; F402-I524 HydrophobicContact CE2-CG1 3.9Å; F402-I524 HydrophobicContact CZ-CG1 4.31Å; F402-I525 HydrophobicContact CB-CD1 3.52Å; F402-I525 HydrophobicContact CB-CG1 4.11Å; F402-I525 HydrophobicContact CD1-CB 4.48Å; F402-I525 HydrophobicContact CD2-CB 4Å; F402-I525 HydrophobicContact CD2-CD1 3.72Å; F402-I525 HydrophobicContact CD2-CG1 4.21Å; F402-I525 HydrophobicContact CE2-CB 4.15Å; F402-I525 HydrophobicContact CG-CB 4.17Å; F402-I525 HydrophobicContact CG-CD1 3.77Å; F402-I525 HydrophobicContact CG-CG1 4.09Å; F402-I525 HydrophobicContact CZ-CB 4.45Å; F402-F528 HydrophobicContact CD2-CD1 4.15Å; F402-F528 HydrophobicContact CE2-CD1 4.27Å
403	I	96	Very high	96.9	Very high	47 Å²	47	26.8 Å²	26.8	24%	0.241	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-50.2	176.8	-60.2	-63.6	0	0	0	111.1	Y399 K400 A401 G405 L406 H407 P461 A464	Y399-I403 HydrophobicContact CD1-CG1 4.25Å; Y399-I403 HydrophobicContact CE1-CD1 4.09Å; Y399-I403 HydrophobicContact CE1-CG1 3.93Å; Y399-I403 HydrophobicContact CE2-CD1 4.1Å; Y399-I403 HydrophobicContact CE2-CG1 4.45Å; Y399-I403 WeakPolarHBondContact O-CG1 3.47Å; Y399-I403 PolarHBondContact O-N 2.95Å; K400-I403 PolarHBondContact O-N 2.8Å; A401-I403 PolarHBondContact O-N 2.96Å; I403-G405 VanDerWaalsContact C-N 3.31Å; I403-G405 PolarHBondContact O-N 3.44Å; I403-L406 PolarHBondContact O-N 3.29Å; I403-H407 WeakPolarHBondContact O-CB 3.43Å; I403-H407 PolarHBondContact O-N 3.31Å; I403-P461 HydrophobicContact CD1-CB 3.07Å; I403-P461 HydrophobicContact CD1-CG 3.44Å; I403-P461 VanDerWaalsContact CD1-CG 3.44Å; I403-A464 HydrophobicContact CG2-CB 4.35Å
404	L	97.8	Very high	96.7	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.052	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-44.4	179.5	-67.3	173.3	0	0	0	111.2	K400 A401 H407 A408 L477 E480 I481	K400-L404 HydrophobicContact CG-CD1 4.07Å; K400-L404 VanDerWaalsContact O-CG 3.31Å; K400-L404 WeakPolarHBondContact O-CG 3.2Å; K400-L404 PolarHBondContact O-N 3.3Å; A401-L404 PolarHBondContact O-N 3.03Å; L404-H407 PolarHBondContact O-N 3.49Å; L404-A408 WeakPolarHBondContact O-CB 3.04Å; L404-A408 PolarHBondContact O-N 2.98Å; L404-L477 HydrophobicContact CB-CD1 4.41Å; L404-L477 HydrophobicContact CD2-CD1 3.77Å; L404-E480 HydrophobicContact CD1-CB 4.14Å; L404-E480 HydrophobicContact CD2-CB 3.65Å; L404-E480 WeakPolarHBondContact CD2-OE2 3.3Å; L404-I481 HydrophobicContact CB-CG1 3.94Å
405	G	97.9	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-46.3	178.7	0	0	0	0	0	113.1	A401 F402 I403 H407 A408 L409 F528	A401-G405 PolarHBondContact O-N 3.35Å; F402-G405 PolarHBondContact O-N 3.44Å; I403-G405 VanDerWaalsContact C-N 3.31Å; I403-G405 PolarHBondContact O-N 3.44Å; G405-H407 VanDerWaalsContact C-N 3.32Å; G405-H407 PolarHBondContact O-N 2.84Å; G405-A408 WeakPolarHBondContact O-CB 3.48Å; G405-A408 PolarHBondContact O-N 2.98Å; G405-L409 WeakPolarHBondContact O-CB 3.46Å; G405-L409 PolarHBondContact O-N 2.91Å; G405-F528 VanDerWaalsContact C-CE1 3.4Å; G405-F528 VanDerWaalsContact C-CZ 3.46Å; G405-F528 WeakPolarHBondContact O-CZ 3.34Å
406	L	96.3	Very high	96.6	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-40.8	178.4	-75	175.3	0	0	0	111.3	F402 I403 A408 L409 F410 P461 A464 F465 I524 F528	F402-L406 HydrophobicContact CD1-CD1 4.26Å; F402-L406 HydrophobicContact CD2-CD1 3.96Å; F402-L406 HydrophobicContact CD2-CG 3.97Å; F402-L406 HydrophobicContact CE1-CD1 3.97Å; F402-L406 HydrophobicContact CE2-CD1 3.65Å; F402-L406 HydrophobicContact CE2-CD2 4.04Å; F402-L406 HydrophobicContact CE2-CG 3.77Å; F402-L406 HydrophobicContact CG-CD1 4.26Å; F402-L406 HydrophobicContact CZ-CD1 3.67Å; F402-L406 HydrophobicContact CZ-CG 4.28Å; F402-L406 WeakPolarHBondContact O-CB 3.4Å; F402-L406 WeakPolarHBondContact O-CG 3.19Å; F402-L406 PolarHBondContact O-N 3.39Å; I403-L406 PolarHBondContact O-N 3.29Å; L406-A408 VanDerWaalsContact C-N 3.3Å; L406-A408 PolarHBondContact O-N 3.42Å; L406-L409 PolarHBondContact O-N 2.81Å; L406-L409 VanDerWaalsContact O-N 3.16Å; L406-F410 HydrophobicContact CD2-CE2 4.5Å; L406-F410 WeakPolarHBondContact O-CD2 3.35Å; L406-F410 PolarHBondContact O-N 3.09Å; L406-P461 HydrophobicContact CD1-CG 3.5Å; L406-P461 VanDerWaalsContact CD1-CG 3.5Å; L406-A464 HydrophobicContact CB-CB 3.69Å; L406-F465 HydrophobicContact CD1-CE2 4.39Å; L406-F465 HydrophobicContact CD2-CZ 4.44Å; L406-I524 HydrophobicContact CD2-CD1 4.43Å; L406-F528 HydrophobicContact CD2-CE1 4.37Å; L406-F528 HydrophobicContact CG-CE1 4.44Å
407	H	96.7	Very high	96.5	Very high	42 Å²	42	26.8 Å²	26.8	19%	0.194	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-36.3	176	-159.2	177.1	0	0	0	112.2	I403 L404 G405 F410 A411 A464 Q466 L468 L477	I403-H407 WeakPolarHBondContact O-CB 3.43Å; I403-H407 PolarHBondContact O-N 3.31Å; L404-H407 PolarHBondContact O-N 3.49Å; G405-H407 VanDerWaalsContact C-N 3.32Å; G405-H407 PolarHBondContact O-N 2.84Å; H407-F410 CarbonylContact O-C 3.55Å; H407-A411 WeakPolarHBondContact O-CA 3.22Å; H407-A411 PolarHBondContact O-N 2.74Å; H407-A464 WeakPolarHBondContact CA-O 3.44Å; H407-A464 HydrophobicContact CB-CB 4.37Å; H407-A464 PolarHBondContact N-O 3.03Å; H407-Q466 PolarHBondContact NE2-O 2.58Å; H407-L468 WeakPolarHBondContact NE2-CD2 3.31Å; H407-L477 HydrophobicContact CB-CD1 4.21Å; H407-L477 HydrophobicContact CB-CD2 4.08Å
408	A	97.9	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.9	-37.9	172.1	0	0	0	0	0	112.8	V298 L299 I301 L404 G405 L406 F410 L477 I481	V298-A408 CarbonylContact C-O 3.58Å; V298-A408 WeakPolarHBondContact CA-O 3.41Å; L299-A408 PolarHBondContact N-O 3.29Å; L299-A408 VanDerWaalsContact O-CB 3.27Å; L299-A408 WeakPolarHBondContact O-CB 3.37Å; I301-A408 HydrophobicContact CD1-CB 3.61Å; I301-A408 HydrophobicContact CG1-CB 4.05Å; L404-A408 WeakPolarHBondContact O-CB 3.04Å; L404-A408 PolarHBondContact O-N 2.98Å; G405-A408 WeakPolarHBondContact O-CB 3.48Å; G405-A408 PolarHBondContact O-N 2.98Å; L406-A408 VanDerWaalsContact C-N 3.3Å; L406-A408 PolarHBondContact O-N 3.42Å; A408-F410 VanDerWaalsContact C-N 3.33Å; A408-L477 HydrophobicContact CB-CD2 4.29Å; A408-I481 HydrophobicContact CB-CD1 3.82Å
409	L	96.3	Very high	96.3	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-72.4	-27.1	-179.5	-166.3	67.7	0	0	0	113	I262 V298 G405 L406 F528	I262-L409 HydrophobicContact CD1-CD1 4.08Å; I262-L409 HydrophobicContact CG1-CD1 4.39Å; V298-L409 HydrophobicContact CG1-CD1 4.3Å; V298-L409 HydrophobicContact CG2-CD1 3.9Å; G405-L409 WeakPolarHBondContact O-CB 3.46Å; G405-L409 PolarHBondContact O-N 2.91Å; L406-L409 PolarHBondContact O-N 2.81Å; L406-L409 VanDerWaalsContact O-N 3.16Å; L409-F528 HydrophobicContact CB-CZ 4.29Å; L409-F528 HydrophobicContact CD2-CZ 4.37Å
410	F	95.8	Very high	96.3	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.057	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	40.5	-180	-64.7	-82.8	0	0	0	111.4	L406 H407 A408 D412 G413 L417 I433 T437 F465	L406-F410 HydrophobicContact CD2-CE2 4.5Å; L406-F410 WeakPolarHBondContact O-CD2 3.35Å; L406-F410 PolarHBondContact O-N 3.09Å; H407-F410 CarbonylContact O-C 3.55Å; A408-F410 VanDerWaalsContact C-N 3.33Å; F410-D412 PolarHBondContact O-N 3.38Å; F410-G413 WeakPolarHBondContact O-CA 3.48Å; F410-G413 PolarHBondContact O-N 3.4Å; F410-L417 HydrophobicContact CE1-CD2 4.32Å; F410-I433 HydrophobicContact CE1-CG2 4.16Å; F410-I433 HydrophobicContact CZ-CG2 4.13Å; F410-T437 HydrophobicContact CD1-CG2 4.48Å; F410-F465 HydrophobicContact CB-CD1 4.23Å; F410-F465 HydrophobicContact CD1-CD1 4.05Å; F410-F465 HydrophobicContact CD1-CE1 4.12Å; F410-F465 AromaticContact CD2-CD1 3.75Å; F410-F465 HydrophobicContact CD2-CD1 3.75Å; F410-F465 AromaticContact CD2-CE1 3.44Å; F410-F465 HydrophobicContact CD2-CE1 3.44Å; F410-F465 VanDerWaalsContact CD2-CE1 3.44Å; F410-F465 HydrophobicContact CD2-CZ 4.08Å; F410-F465 HydrophobicContact CE1-CD1 4.34Å; F410-F465 HydrophobicContact CE1-CE1 4Å; F410-F465 HydrophobicContact CE2-CD1 4.08Å; F410-F465 AromaticContact CE2-CE1 3.31Å; F410-F465 HydrophobicContact CE2-CE1 3.31Å; F410-F465 AromaticContact CE2-CZ 3.86Å; F410-F465 HydrophobicContact CE2-CZ 3.86Å; F410-F465 AromaticContact CG-CD1 3.74Å; F410-F465 HydrophobicContact CG-CD1 3.74Å; F410-F465 AromaticContact CG-CE1 3.86Å; F410-F465 HydrophobicContact CG-CE1 3.86Å; F410-F465 HydrophobicContact CZ-CD1 4.36Å; F410-F465 AromaticContact CZ-CE1 3.61Å; F410-F465 HydrophobicContact CZ-CE1 3.61Å; F410-F465 HydrophobicContact CZ-CZ 4.44Å
411	A	97	Very high	96.2	Very high	15 Å²	15	22.6 Å²	22.6	12%	0.124	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.2	-175.4	0	0	0	0	0	113.3	S297 L299 H407 L468	S297-A411 WeakPolarHBondContact O-CB 3.22Å; S297-A411 PolarHBondContact O-N 3.05Å; L299-A411 HydrophobicContact CB-CB 3.85Å; H407-A411 WeakPolarHBondContact O-CA 3.22Å; H407-A411 PolarHBondContact O-N 2.74Å; A411-L468 HydrophobicContact CB-CD1 3.7Å; A411-L468 HydrophobicContact CB-CG 4.38Å; A411-L468 PolarHBondContact O-N 3.34Å
412	D	95.8	Very high	95.9	Very high	19 Å²	19	27.5 Å²	27.5	10%	0.102	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.9	175.5	76.6	-25.7	0	0	0	114.2	S297 F410 G414 Q415 E416	S297-D412 VanDerWaalsContact CB-OD1 3.28Å; S297-D412 WeakPolarHBondContact CB-OD1 3.4Å; S297-D412 WeakPolarHBondContact CB-OD2 3.18Å; F410-D412 PolarHBondContact O-N 3.38Å; D412-G414 VanDerWaalsContact C-N 3.28Å; D412-G414 PolarHBondContact O-N 2.94Å; D412-G414 WeakPolarHBondContact OD1-CA 3.26Å; D412-G414 PolarHBondContact OD1-N 3.36Å; D412-Q415 HydrophobicContact CB-CB 4.4Å; D412-Q415 PolarHBondContact OD1-N 2.95Å; D412-Q415 WeakPolarHBondContact OD2-CA 3.36Å; D412-Q415 WeakPolarHBondContact OD2-CB 3.18Å; D412-Q415 PolarHBondContact OD2-N 3.39Å; D412-E416 WeakPolarHBondContact OD2-CB 3.16Å; D412-E416 PolarHBondContact OD2-N 2.99Å
413	G	94.6	Very high	95.6	Very high	3 Å²	3	29 Å²	29	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	22.1	-174.1	0	0	0	0	0	114	F410 R418 F465	F410-G413 WeakPolarHBondContact O-CA 3.48Å; F410-G413 PolarHBondContact O-N 3.4Å; G413-R418 PolarHBondContact O-NH1 3.19Å; G413-F465 WeakPolarHBondContact CA-O 3.34Å
414	G	94.8	Very high	95.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	19.2	-178.7	0	0	0	0	0	114.5	D412 L417 R418	D412-G414 VanDerWaalsContact C-N 3.28Å; D412-G414 PolarHBondContact O-N 2.94Å; D412-G414 WeakPolarHBondContact OD1-CA 3.26Å; D412-G414 PolarHBondContact OD1-N 3.36Å; G414-L417 WeakPolarHBondContact O-CB 3.42Å; G414-L417 PolarHBondContact O-N 2.8Å; G414-R418 WeakPolarHBondContact O-CG 3.42Å; G414-R418 PolarHBondContact O-N 3.36Å; G414-R418 PolarHBondContact O-NH1 2.86Å
415	Q	95.6	Very high	95.2	Very high	103 Å²	103	29.9 Å²	29.9	48%	0.481	16%	0.164	S	C	.	.	H	α-helix	trans	-63.1	-47.5	-177.7	-178	177.2	-10.1	0	0	112.4	D412 R418 S419	D412-Q415 HydrophobicContact CB-CB 4.4Å; D412-Q415 PolarHBondContact OD1-N 2.95Å; D412-Q415 WeakPolarHBondContact OD2-CA 3.36Å; D412-Q415 WeakPolarHBondContact OD2-CB 3.18Å; D412-Q415 PolarHBondContact OD2-N 3.39Å; Q415-R418 PolarHBondContact O-N 3.16Å; Q415-S419 PolarHBondContact O-N 3.34Å
416	E	96.7	Very high	95.1	Very high	23 Å²	23	31.9 Å²	31.9	11%	0.107	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-46.4	176.4	-173.2	174.1	-149.4	0	0	110.3	A294 K295 K296 S297 D412 R418 S419 H420	A294-E416 VanDerWaalsContact CA-OE2 3.24Å; A294-E416 WeakPolarHBondContact CA-OE2 3.3Å; K295-E416 PolarHBondContact N-OE1 2.79Å; K295-E416 PolarHBondContact N-OE2 3.43Å; K296-E416 PolarHBondContact N-OE1 3.42Å; K296-E416 PolarHBondContact N-OE2 3.27Å; S297-E416 VanDerWaalsContact CB-OE2 3.26Å; S297-E416 WeakPolarHBondContact CB-OE2 3.37Å; S297-E416 PolarHBondContact N-OE2 3.26Å; S297-E416 VanDerWaalsContact N-OE2 3.08Å; S297-E416 PolarHBondContact OG-OE2 3.21Å; D412-E416 WeakPolarHBondContact OD2-CB 3.16Å; D412-E416 PolarHBondContact OD2-N 2.99Å; E416-R418 PolarHBondContact O-N 3.1Å; E416-S419 WeakPolarHBondContact O-CB 3.49Å; E416-S419 PolarHBondContact O-N 3.05Å; E416-S419 VanDerWaalsContact O-N 3.15Å; E416-S419 PolarHBondContact O-OG 3.44Å; E416-H420 PolarHBondContact O-CD2 3.37Å; E416-H420 VanDerWaalsContact O-CD2 3.27Å; E416-H420 PolarHBondContact O-N 3.46Å; E416-H420 VanDerWaalsContact O-N 3.16Å
417	L	96.3	Very high	94.9	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-53.2	-55.6	175.1	-178.6	76.8	0	0	0	111.5	L214 R216 F410 G414 S419 H420 L421 I430 I433 T437	L214-L417 HydrophobicContact CB-CD1 4.44Å; L214-L417 HydrophobicContact CD1-CD1 3.62Å; R216-L417 HydrophobicContact CG-CD1 3.79Å; F410-L417 HydrophobicContact CE1-CD2 4.32Å; G414-L417 WeakPolarHBondContact O-CB 3.42Å; G414-L417 PolarHBondContact O-N 2.8Å; L417-S419 PolarHBondContact O-N 3.01Å; L417-H420 PolarHBondContact O-N 3.18Å; L417-H420 VanDerWaalsContact O-N 3.14Å; L417-L421 HydrophobicContact CD1-CD1 4.29Å; L417-L421 HydrophobicContact CD2-CD1 4.34Å; L417-L421 HydrophobicContact CG-CD1 3.93Å; L417-L421 HydrophobicContact CG-CG 4.48Å; L417-L421 WeakPolarHBondContact O-CG 3.1Å; L417-L421 PolarHBondContact O-N 2.83Å; L417-I430 HydrophobicContact CD1-CD1 4.46Å; L417-I433 HydrophobicContact CD2-CG2 3.64Å; L417-T437 HydrophobicContact CD2-CG2 4.36Å
418	R	95.1	Very high	94.6	Very high	67 Å²	67	33.5 Å²	33.5	25%	0.253	19%	0.189	S	C	.	.	H	α-helix	trans	-59.2	-37.8	-179.6	-71.4	-168	-56	-78.7	7.9	111.6	G413 G414 Q415 E416 H420 L421 Q422 T437	G413-R418 PolarHBondContact O-NH1 3.19Å; G414-R418 WeakPolarHBondContact O-CG 3.42Å; G414-R418 PolarHBondContact O-N 3.36Å; G414-R418 PolarHBondContact O-NH1 2.86Å; Q415-R418 PolarHBondContact O-N 3.16Å; E416-R418 PolarHBondContact O-N 3.1Å; R418-H420 VanDerWaalsContact C-N 3.3Å; R418-H420 PolarHBondContact O-N 2.94Å; R418-L421 PolarHBondContact O-N 3.09Å; R418-Q422 WeakPolarHBondContact O-CG 3.44Å; R418-Q422 PolarHBondContact O-N 3.33Å; R418-Q422 VanDerWaalsContact O-N 3.09Å; R418-T437 WeakPolarHBondContact CG-OG1 3.47Å; R418-T437 VanDerWaalsContact NH1-CB 3.33Å; R418-T437 PolarHBondContact NH1-O 2.74Å
419	S	95.3	Very high	94.2	Very high	54 Å²	54	33.8 Å²	33.8	38%	0.378	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-40	178.8	83.2	0	0	0	0	112.3	K182 Q415 E416 L417	K182-S419 PolarHBondContact NZ-O 2.94Å; Q415-S419 PolarHBondContact O-N 3.34Å; E416-S419 WeakPolarHBondContact O-CB 3.49Å; E416-S419 PolarHBondContact O-N 3.05Å; E416-S419 VanDerWaalsContact O-N 3.15Å; E416-S419 PolarHBondContact O-OG 3.44Å; L417-S419 PolarHBondContact O-N 3.01Å
420	H	95.5	Very high	94.2	Very high	39 Å²	39	33.3 Å²	33.3	18%	0.181	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-41.7	175.1	-70.4	-52.4	0	0	0	111.7	I180 K182 L214 E416 L417 R418 Q422 E424	I180-H420 HydrophobicContact CD1-CB 4.25Å; K182-H420 PolarHBondContact NZ-O 3.36Å; L214-H420 HydrophobicContact CD1-CB 3.66Å; L214-H420 HydrophobicContact CD2-CB 3.89Å; L214-H420 HydrophobicContact CG-CB 4.46Å; E416-H420 PolarHBondContact O-CD2 3.37Å; E416-H420 VanDerWaalsContact O-CD2 3.27Å; E416-H420 PolarHBondContact O-N 3.46Å; E416-H420 VanDerWaalsContact O-N 3.16Å; L417-H420 PolarHBondContact O-N 3.18Å; L417-H420 VanDerWaalsContact O-N 3.14Å; R418-H420 VanDerWaalsContact C-N 3.3Å; R418-H420 PolarHBondContact O-N 2.94Å; H420-Q422 VanDerWaalsContact C-N 3.34Å; H420-Q422 PolarHBondContact O-N 2.89Å; H420-E424 WeakPolarHBondContact O-CG 3.16Å
421	L	94.7	Very high	94	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-74.1	-14.5	-177.2	-65.5	-179.6	0	0	0	115.3	Q213 L214 L417 R418 G423 E424 L426 I430 N434	Q213-L421 HydrophobicContact CG-CD2 4.33Å; L214-L421 HydrophobicContact CD1-CD2 3.45Å; L214-L421 VanDerWaalsContact CD1-CD2 3.45Å; L214-L421 HydrophobicContact CD1-CG 3.73Å; L214-L421 HydrophobicContact CG-CD2 4.25Å; L417-L421 HydrophobicContact CD1-CD1 4.29Å; L417-L421 HydrophobicContact CD2-CD1 4.34Å; L417-L421 HydrophobicContact CG-CD1 3.93Å; L417-L421 HydrophobicContact CG-CG 4.48Å; L417-L421 WeakPolarHBondContact O-CG 3.1Å; L417-L421 PolarHBondContact O-N 2.83Å; R418-L421 PolarHBondContact O-N 3.09Å; L421-G423 PolarHBondContact O-N 2.94Å; L421-E424 WeakPolarHBondContact O-CB 3Å; L421-E424 PolarHBondContact O-N 2.9Å; L421-L426 HydrophobicContact CB-CD2 3.91Å; L421-L426 HydrophobicContact CD1-CD2 4.31Å; L421-L426 HydrophobicContact CD2-CD2 3.78Å; L421-L426 HydrophobicContact CG-CD2 4.2Å; L421-I430 HydrophobicContact CD1-CD1 4.43Å; L421-I430 HydrophobicContact CD1-CG1 3.66Å; L421-I430 HydrophobicContact CD2-CG1 4.11Å; L421-N434 HydrophobicContact CD1-CB 3.99Å
422	Q	91	Very high	93.7	Very high	103 Å²	103	39.9 Å²	39.9	48%	0.481	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	114.5	-179.7	-81.3	179.1	24.3	0	0	112.8	K182 R418 H420 E424	K182-Q422 WeakPolarHBondContact CE-O 3.34Å; K182-Q422 PolarHBondContact NZ-O 3.01Å; R418-Q422 WeakPolarHBondContact O-CG 3.44Å; R418-Q422 PolarHBondContact O-N 3.33Å; R418-Q422 VanDerWaalsContact O-N 3.09Å; H420-Q422 VanDerWaalsContact C-N 3.34Å; H420-Q422 PolarHBondContact O-N 2.89Å; Q422-E424 PolarHBondContact O-N 2.82Å
423	G	89.5	Confident	93.5	Very high	41 Å²	41	39.7 Å²	39.7	42%	0.423	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	5.9	178.9	0	0	0	0	0	114.6	N56 L421	N56-G423 PolarHBondContact ND2-O 3.09Å; L421-G423 PolarHBondContact O-N 2.94Å
424	E	93.5	Very high	93.5	Very high	12 Å²	12	41 Å²	41	6%	0.056	22%	0.222	C	C	.	.	S	Bend	trans	-84.7	143.7	169.9	-65.9	-67.8	160.5	0	0	110.1	I180 I181 K182 H420 L421 Q422 L426	I180-E424 HydrophobicContact CB-CG 4.27Å; I180-E424 HydrophobicContact CG2-CG 4.2Å; I181-E424 WeakPolarHBondContact CB-OE2 3.36Å; I181-E424 WeakPolarHBondContact CG1-OE2 3.35Å; I181-E424 PolarHBondContact N-OE1 3.42Å; I181-E424 PolarHBondContact N-OE2 3.33Å; K182-E424 WeakPolarHBondContact CB-OE1 3.44Å; K182-E424 WeakPolarHBondContact CD-OE1 3.22Å; K182-E424 WeakPolarHBondContact CG-OE1 3.26Å; K182-E424 PolarHBondContact N-OE1 2.84Å; H420-E424 WeakPolarHBondContact O-CG 3.16Å; L421-E424 WeakPolarHBondContact O-CB 3Å; L421-E424 PolarHBondContact O-N 2.9Å; Q422-E424 PolarHBondContact O-N 2.82Å; E424-L426 HydrophobicContact CB-CD2 4.41Å; E424-L426 PolarHBondContact O-N 3.2Å
425	P	93.7	Very high	93.4	Very high	64 Å²	64	44.8 Å²	44.8	42%	0.416	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-61.3	125.5	161.6	-23.5	37.4	0	0	0	109.7	I181 Q213 V223	I181-P425 HydrophobicContact CD1-CG 4.18Å; Q213-P425 PolarHBondContact NE2-O 2.82Å; V223-P425 HydrophobicContact CG2-CB 4.1Å; V223-P425 HydrophobicContact CG2-CG 3.83Å
426	L	94.1	Very high	93.1	Very high	42 Å²	42	40.5 Å²	40.5	22%	0.22	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-96.3	131.1	-175.4	-56.9	-172.5	0	0	0	110.7	L421 E424 I430 K431 N434	L421-L426 HydrophobicContact CB-CD2 3.91Å; L421-L426 HydrophobicContact CD1-CD2 4.31Å; L421-L426 HydrophobicContact CD2-CD2 3.78Å; L421-L426 HydrophobicContact CG-CD2 4.2Å; E424-L426 HydrophobicContact CB-CD2 4.41Å; E424-L426 PolarHBondContact O-N 3.2Å; L426-I430 HydrophobicContact CB-CG2 3.64Å; L426-I430 HydrophobicContact CD2-CG2 4.06Å; L426-I430 HydrophobicContact CG-CG2 4.32Å; L426-K431 HydrophobicContact CB-CD 4.46Å; L426-K431 HydrophobicContact CB-CG 3.63Å; L426-K431 HydrophobicContact CD1-CG 4.13Å; L426-K431 WeakPolarHBondContact O-CE 3.41Å; L426-N434 HydrophobicContact CD1-CB 4.46Å
427	S	93.8	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-60	154.8	167.1	93.3	0	0	0	0	111.6	D219 H429 I430 K431	D219-S427 WeakPolarHBondContact OD2-CB 3.5Å; D219-S427 PolarHBondContact OD2-OG 3.34Å; S427-H429 PolarHBondContact O-N 3.46Å; S427-H429 PolarHBondContact OG-N 3.38Å; S427-I430 WeakPolarHBondContact O-CG2 3.37Å; S427-I430 PolarHBondContact O-N 3.03Å; S427-I430 PolarHBondContact OG-N 3.02Å; S427-K431 VanDerWaalsContact O-CG 3.29Å; S427-K431 WeakPolarHBondContact O-CG 3.49Å; S427-K431 PolarHBondContact O-N 3.28Å; S427-K431 VanDerWaalsContact O-N 3.13Å
428	P	89.2	Confident	92.8	Very high	83 Å²	83	43.4 Å²	43.4	54%	0.539	24%	0.244	S	C	.	.	H	α-helix	trans	-53.1	-39.4	174.1	-26.8	35.8	0	0	0	113.2
429	H	90.8	Very high	92.6	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-78.4	-36.9	-175.6	-59.1	-92	0	0	0	112.3	T217 D219 S427 K431 K513 A515 Q517 I520	T217-H429 HydrophobicContact CG2-CB 3.87Å; D219-H429 WeakPolarHBondContact CB-CD2 3.27Å; D219-H429 WeakPolarHBondContact OD2-CB 3.29Å; D219-H429 IonicContact OD2-CD2 3.28Å; D219-H429 PolarHBondContact OD2-CD2 2.97Å; D219-H429 IonicContact OD2-CG 3.09Å; S427-H429 PolarHBondContact O-N 3.46Å; S427-H429 PolarHBondContact OG-N 3.38Å; H429-K431 VanDerWaalsContact C-N 3.28Å; H429-K431 PolarHBondContact O-N 2.85Å; H429-K513 PolarHBondContact NE2-O 3.36Å; H429-A515 PolarHBondContact CE1-O 3.11Å; H429-Q517 HydrophobicContact CB-CG 4.34Å; H429-Q517 PolarHBondContact ND1-OE1 3.31Å; H429-I520 VanDerWaalsContact CE1-CD1 3.4Å; H429-I520 WeakPolarHBondContact CE1-CD1 3.41Å
430	I	94.6	Very high	92.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-29.9	175.4	-156.1	69.5	0	0	0	111.6	Q213 R216 T217 L417 L421 L426 S427 L432 I433 N434	Q213-I430 VanDerWaalsContact OE1-CG2 3.25Å; R216-I430 HydrophobicContact CB-CD1 3.65Å; T217-I430 HydrophobicContact CG2-CB 3.87Å; T217-I430 HydrophobicContact CG2-CD1 3.83Å; T217-I430 HydrophobicContact CG2-CG1 4.45Å; L417-I430 HydrophobicContact CD1-CD1 4.46Å; L421-I430 HydrophobicContact CD1-CD1 4.43Å; L421-I430 HydrophobicContact CD1-CG1 3.66Å; L421-I430 HydrophobicContact CD2-CG1 4.11Å; L426-I430 HydrophobicContact CB-CG2 3.64Å; L426-I430 HydrophobicContact CD2-CG2 4.06Å; L426-I430 HydrophobicContact CG-CG2 4.32Å; S427-I430 WeakPolarHBondContact O-CG2 3.37Å; S427-I430 PolarHBondContact O-N 3.03Å; S427-I430 PolarHBondContact OG-N 3.02Å; I430-L432 VanDerWaalsContact C-N 3.26Å; I430-L432 PolarHBondContact O-N 2.59Å; I430-I433 HydrophobicContact CD1-CD1 4.34Å; I430-I433 PolarHBondContact O-N 2.95Å; I430-I433 VanDerWaalsContact O-N 3.16Å; I430-N434 WeakPolarHBondContact O-CB 3.4Å; I430-N434 PolarHBondContact O-N 2.82Å
431	K	93.4	Very high	92.2	Very high	108 Å²	108	44 Å²	44	47%	0.47	25%	0.253	S	S	.	.	H	α-helix	trans	-55.5	-42.6	179.9	-78.9	171.4	-171	170.6	0	111.4	L426 S427 H429 N434 T435	L426-K431 HydrophobicContact CB-CD 4.46Å; L426-K431 HydrophobicContact CB-CG 3.63Å; L426-K431 HydrophobicContact CD1-CG 4.13Å; L426-K431 WeakPolarHBondContact O-CE 3.41Å; S427-K431 VanDerWaalsContact O-CG 3.29Å; S427-K431 WeakPolarHBondContact O-CG 3.49Å; S427-K431 PolarHBondContact O-N 3.28Å; S427-K431 VanDerWaalsContact O-N 3.13Å; H429-K431 VanDerWaalsContact C-N 3.28Å; H429-K431 PolarHBondContact O-N 2.85Å; K431-N434 PolarHBondContact O-N 3.11Å; K431-T435 WeakPolarHBondContact O-CB 3.46Å; K431-T435 PolarHBondContact O-N 3.29Å; K431-T435 PolarHBondContact O-OG1 3.11Å
432	L	89.8	Confident	91.9	Very high	58 Å²	58	50.3 Å²	50.3	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-47.1	178.5	-178.2	60.6	0	0	0	111.5	I430 N434 T435 I436 Q517 I518	I430-L432 VanDerWaalsContact C-N 3.26Å; I430-L432 PolarHBondContact O-N 2.59Å; L432-N434 VanDerWaalsContact C-N 3.35Å; L432-N434 PolarHBondContact O-N 2.91Å; L432-T435 PolarHBondContact O-N 2.68Å; L432-I436 HydrophobicContact CD1-CD1 4.22Å; L432-I436 HydrophobicContact CD1-CG1 4.46Å; L432-I436 HydrophobicContact CG-CD1 4.02Å; L432-I436 WeakPolarHBondContact O-CG1 3.12Å; L432-I436 PolarHBondContact O-N 2.97Å; L432-Q517 HydrophobicContact CB-CB 4.02Å; L432-Q517 HydrophobicContact CB-CG 4.07Å; L432-Q517 HydrophobicContact CD2-CB 3.6Å; L432-Q517 HydrophobicContact CD2-CG 3.74Å; L432-Q517 HydrophobicContact CG-CB 4.44Å; L432-Q517 HydrophobicContact CG-CG 4.44Å; L432-I518 HydrophobicContact CD2-CB 4.45Å
433	I	91.9	Very high	91.9	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.077	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-46.6	178.5	-59.4	175.1	0	0	0	109.9	R216 F410 L417 I430 T435 I436 T437	R216-I433 WeakPolarHBondContact O-CD1 3.18Å; F410-I433 HydrophobicContact CE1-CG2 4.16Å; F410-I433 HydrophobicContact CZ-CG2 4.13Å; L417-I433 HydrophobicContact CD2-CG2 3.64Å; I430-I433 HydrophobicContact CD1-CD1 4.34Å; I430-I433 PolarHBondContact O-N 2.95Å; I430-I433 VanDerWaalsContact O-N 3.16Å; I433-T435 PolarHBondContact O-N 2.94Å; I433-I436 PolarHBondContact O-N 3.33Å; I433-T437 HydrophobicContact CG2-CG2 4.39Å; I433-T437 VanDerWaalsContact O-CG2 3.25Å; I433-T437 WeakPolarHBondContact O-CG2 3.46Å; I433-T437 PolarHBondContact O-N 3.41Å; I433-T437 PolarHBondContact O-OG1 2.88Å
434	N	94.1	Very high	91.9	Very high	32 Å²	32	47.4 Å²	47.4	17%	0.171	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-48.1	177.2	-176.8	67	0	0	0	111.2	L421 L426 I430 K431 L432 I436 T437 V438	L421-N434 HydrophobicContact CD1-CB 3.99Å; L426-N434 HydrophobicContact CD1-CB 4.46Å; I430-N434 WeakPolarHBondContact O-CB 3.4Å; I430-N434 PolarHBondContact O-N 2.82Å; K431-N434 PolarHBondContact O-N 3.11Å; L432-N434 VanDerWaalsContact C-N 3.35Å; L432-N434 PolarHBondContact O-N 2.91Å; N434-I436 PolarHBondContact O-N 2.85Å; N434-T437 PolarHBondContact O-N 2.84Å; N434-T437 PolarHBondContact O-OG1 2.8Å; N434-V438 VanDerWaalsContact O-CG2 3.31Å; N434-V438 WeakPolarHBondContact O-CG2 3.18Å; N434-V438 PolarHBondContact O-N 3.44Å
435	T	92	Very high	91.6	Very high	80 Å²	80	49.9 Å²	49.9	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-57.2	-47.4	176.9	-63.2	0	0	0	0	111.9	K431 L432 I433 T437 V438 I439	K431-T435 WeakPolarHBondContact O-CB 3.46Å; K431-T435 PolarHBondContact O-N 3.29Å; K431-T435 PolarHBondContact O-OG1 3.11Å; L432-T435 PolarHBondContact O-N 2.68Å; I433-T435 PolarHBondContact O-N 2.94Å; T435-T437 VanDerWaalsContact C-N 3.3Å; T435-T437 PolarHBondContact O-N 2.98Å; T435-V438 PolarHBondContact O-N 3.34Å; T435-I439 PolarHBondContact O-N 3.21Å
436	I	90.9	Very high	91.3	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-57.2	-45.7	177.4	-73.1	166.3	0	0	0	111	L432 I433 N434 V438 I439 K444 L462 F465	L432-I436 HydrophobicContact CD1-CD1 4.22Å; L432-I436 HydrophobicContact CD1-CG1 4.46Å; L432-I436 HydrophobicContact CG-CD1 4.02Å; L432-I436 WeakPolarHBondContact O-CG1 3.12Å; L432-I436 PolarHBondContact O-N 2.97Å; I433-I436 PolarHBondContact O-N 3.33Å; N434-I436 PolarHBondContact O-N 2.85Å; I436-V438 VanDerWaalsContact C-N 3.28Å; I436-V438 PolarHBondContact O-N 3.48Å; I436-I439 PolarHBondContact O-N 3.35Å; I436-K444 WeakPolarHBondContact O-CE 3.29Å; I436-L462 HydrophobicContact CB-CD2 4.39Å; I436-L462 HydrophobicContact CD1-CD2 4.08Å; I436-L462 HydrophobicContact CG1-CD2 3.87Å; I436-L462 HydrophobicContact CG2-CD2 3.72Å; I436-F465 HydrophobicContact CG2-CB 4.04Å; I436-F465 HydrophobicContact CG2-CD1 3.87Å; I436-F465 HydrophobicContact CG2-CD2 4.05Å; I436-F465 HydrophobicContact CG2-CE1 4.29Å; I436-F465 HydrophobicContact CG2-CE2 4.49Å; I436-F465 HydrophobicContact CG2-CG 3.72Å
437	T	92.3	Very high	91	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-72.7	-20.8	-177	68.8	0	0	0	0	113.1	F410 L417 R418 I433 N434 T435 F465	F410-T437 HydrophobicContact CD1-CG2 4.48Å; L417-T437 HydrophobicContact CD2-CG2 4.36Å; R418-T437 WeakPolarHBondContact CG-OG1 3.47Å; R418-T437 VanDerWaalsContact NH1-CB 3.33Å; R418-T437 PolarHBondContact NH1-O 2.74Å; I433-T437 HydrophobicContact CG2-CG2 4.39Å; I433-T437 VanDerWaalsContact O-CG2 3.25Å; I433-T437 WeakPolarHBondContact O-CG2 3.46Å; I433-T437 PolarHBondContact O-N 3.41Å; I433-T437 PolarHBondContact O-OG1 2.88Å; N434-T437 PolarHBondContact O-N 2.84Å; N434-T437 PolarHBondContact O-OG1 2.8Å; T435-T437 VanDerWaalsContact C-N 3.3Å; T435-T437 PolarHBondContact O-N 2.98Å; T437-F465 HydrophobicContact CG2-CD1 4.12Å
438	V	93.3	Very high	90.6	Very high	87 Å²	87	53 Å²	53	53%	0.527	29%	0.293	S	S	.	.	H	α-helix	trans	-76.6	-27.2	175.6	168.4	0	0	0	0	112.4	N434 T435 I436	N434-V438 VanDerWaalsContact O-CG2 3.31Å; N434-V438 WeakPolarHBondContact O-CG2 3.18Å; N434-V438 PolarHBondContact O-N 3.44Å; T435-V438 PolarHBondContact O-N 3.34Å; I436-V438 VanDerWaalsContact C-N 3.28Å; I436-V438 PolarHBondContact O-N 3.48Å
439	I	91.7	Very high	90.5	Very high	35 Å²	35	56.3 Å²	56.3	18%	0.179	30%	0.299	C	S	.	.	S	Bend	trans	-58.9	127.9	179.8	-63.7	168.4	0	0	0	109.5	T435 I436 D441 L443 K444 V447	T435-I439 PolarHBondContact O-N 3.21Å; I436-I439 PolarHBondContact O-N 3.35Å; I439-D441 PolarHBondContact O-N 3.02Å; I439-L443 HydrophobicContact CG2-CB 3.93Å; I439-K444 HydrophobicContact CB-CG 4.23Å; I439-K444 HydrophobicContact CG2-CG 3.86Å; I439-K444 PolarHBondContact O-NZ 2.86Å; I439-V447 HydrophobicContact CD1-CG1 4.35Å; I439-V447 HydrophobicContact CG2-CG2 4.4Å
440	P	91.6	Very high	90.3	Very high	74 Å²	74	60 Å²	60	48%	0.481	32%	0.318	S	S	.	.			trans	-54.1	138.6	174.6	-26.6	34.2	0	0	0	112.2	I442 L443 K444	P440-I442 HydrophobicContact CB-CG2 4.35Å; P440-I442 PolarHBondContact O-N 3.41Å; P440-I442 VanDerWaalsContact O-N 3.11Å; P440-L443 HydrophobicContact CB-CD1 4.43Å; P440-L443 HydrophobicContact CB-CG 4.4Å; P440-L443 HydrophobicContact CG-CD1 4.18Å; P440-L443 PolarHBondContact O-N 3.32Å; P440-K444 PolarHBondContact O-N 2.84Å
441	D	89.7	Confident	89.8	Confident	62 Å²	62	61.1 Å²	61.1	33%	0.332	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.5	-173.4	-71.6	-25.6	0	0	0	113.6	I439 L443 K444 P445 Q466	I439-D441 PolarHBondContact O-N 3.02Å; D441-L443 VanDerWaalsContact C-N 3.26Å; D441-L443 PolarHBondContact O-N 3.42Å; D441-K444 PolarHBondContact O-N 3.04Å; D441-K444 IonicContact OD1-NZ 3.62Å; D441-K444 PolarHBondContact OD1-NZ 3.41Å; D441-P445 WeakPolarHBondContact O-CD 3.45Å; D441-Q466 HydrophobicContact CB-CG 4.22Å; D441-Q466 PolarHBondContact O-NE2 2.71Å
442	I	89.4	Confident	89.2	Confident	140 Å²	140	59 Å²	59	72%	0.718	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-27	177.6	-165.4	165.8	0	0	0	113.4	P440	P440-I442 HydrophobicContact CB-CG2 4.35Å; P440-I442 PolarHBondContact O-N 3.41Å; P440-I442 VanDerWaalsContact O-N 3.11Å
443	L	90.7	Very high	88.8	Confident	80 Å²	80	63.1 Å²	63.1	42%	0.419	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-21.1	-179.6	-62.1	-177.6	0	0	0	112.5	I439 P440 D441 I446 V447	I439-L443 HydrophobicContact CG2-CB 3.93Å; P440-L443 HydrophobicContact CB-CD1 4.43Å; P440-L443 HydrophobicContact CB-CG 4.4Å; P440-L443 HydrophobicContact CG-CD1 4.18Å; P440-L443 PolarHBondContact O-N 3.32Å; D441-L443 VanDerWaalsContact C-N 3.26Å; D441-L443 PolarHBondContact O-N 3.42Å; L443-I446 HydrophobicContact CD2-CD1 4.3Å; L443-I446 WeakPolarHBondContact O-CB 3.49Å; L443-I446 PolarHBondContact O-N 3.15Å; L443-I446 VanDerWaalsContact O-N 3.08Å; L443-V447 WeakPolarHBondContact O-CG2 3.46Å; L443-V447 PolarHBondContact O-N 2.94Å
444	K	90.6	Very high	88.2	Confident	2 Å²	2	70 Å²	70	1%	0.009	36%	0.364	C	S	.	.	H	α-helix	trans	-54.6	-46	-176.1	-70.5	-173.4	171	84.3	0	113.3	I436 I439 P440 D441 I446 V447 E448 L462 F465 Q466	I436-K444 WeakPolarHBondContact O-CE 3.29Å; I439-K444 HydrophobicContact CB-CG 4.23Å; I439-K444 HydrophobicContact CG2-CG 3.86Å; I439-K444 PolarHBondContact O-NZ 2.86Å; P440-K444 PolarHBondContact O-N 2.84Å; D441-K444 PolarHBondContact O-N 3.04Å; D441-K444 IonicContact OD1-NZ 3.62Å; D441-K444 PolarHBondContact OD1-NZ 3.41Å; K444-I446 VanDerWaalsContact C-N 3.32Å; K444-I446 PolarHBondContact O-N 2.92Å; K444-V447 PolarHBondContact O-N 3.07Å; K444-E448 WeakPolarHBondContact O-CB 3.27Å; K444-E448 PolarHBondContact O-N 3.44Å; K444-L462 HydrophobicContact CB-CB 4.08Å; K444-L462 WeakPolarHBondContact CD-O 3.39Å; K444-F465 HydrophobicContact CD-CB 4.39Å; K444-F465 WeakPolarHBondContact CE-O 3.46Å; K444-Q466 HydrophobicContact CB-CG 4.47Å; K444-Q466 HydrophobicContact CD-CG 3.9Å
445	P	86.2	Confident	87.3	Confident	64 Å²	64	71.8 Å²	71.8	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-34.9	177.4	-22.8	34.7	0	0	0	113.5	D441 E448 F449	D441-P445 WeakPolarHBondContact O-CD 3.45Å; P445-E448 PolarHBondContact O-N 3.03Å; P445-F449 WeakPolarHBondContact O-CB 3.13Å; P445-F449 PolarHBondContact O-N 3.28Å
446	I	88.2	Confident	86.2	Confident	95 Å²	95	69.3 Å²	69.3	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-47.4	178	-59.3	173.6	0	0	0	109.7	L443 K444 E448 F449 I450	L443-I446 HydrophobicContact CD2-CD1 4.3Å; L443-I446 WeakPolarHBondContact O-CB 3.49Å; L443-I446 PolarHBondContact O-N 3.15Å; L443-I446 VanDerWaalsContact O-N 3.08Å; K444-I446 VanDerWaalsContact C-N 3.32Å; K444-I446 PolarHBondContact O-N 2.92Å; I446-E448 VanDerWaalsContact C-N 3.26Å; I446-E448 PolarHBondContact O-N 3.35Å; I446-F449 PolarHBondContact O-N 2.94Å; I446-I450 HydrophobicContact CG2-CD1 3.9Å; I446-I450 VanDerWaalsContact O-CG1 3.32Å; I446-I450 WeakPolarHBondContact O-CG1 3.47Å; I446-I450 PolarHBondContact O-N 2.88Å
447	V	87	Confident	85.5	Confident	48 Å²	48	73.4 Å²	73.4	29%	0.291	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-38	176.8	179.6	0	0	0	0	110.6	I439 L443 K444 S451 L462	I439-V447 HydrophobicContact CD1-CG1 4.35Å; I439-V447 HydrophobicContact CG2-CG2 4.4Å; L443-V447 WeakPolarHBondContact O-CG2 3.46Å; L443-V447 PolarHBondContact O-N 2.94Å; K444-V447 PolarHBondContact O-N 3.07Å; V447-S451 VanDerWaalsContact O-CB 3.23Å; V447-S451 WeakPolarHBondContact O-CB 3.44Å; V447-S451 PolarHBondContact O-N 2.67Å; V447-S451 PolarHBondContact O-OG 3.02Å; V447-L462 HydrophobicContact CB-CD1 3.75Å; V447-L462 HydrophobicContact CG1-CD1 3.51Å
448	E	86.2	Confident	84.6	Confident	29 Å²	29	73.6 Å²	73.6	14%	0.136	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-46.4	175.9	-172	-178.9	147.9	0	0	111.7	K444 P445 I446 S451 K452 L462 G463	K444-E448 WeakPolarHBondContact O-CB 3.27Å; K444-E448 PolarHBondContact O-N 3.44Å; P445-E448 PolarHBondContact O-N 3.03Å; I446-E448 VanDerWaalsContact C-N 3.26Å; I446-E448 PolarHBondContact O-N 3.35Å; E448-S451 PolarHBondContact O-N 2.61Å; E448-K452 HydrophobicContact CG-CD 4.2Å; E448-K452 WeakPolarHBondContact O-CB 3.45Å; E448-K452 WeakPolarHBondContact O-CG 3.45Å; E448-K452 PolarHBondContact O-N 2.92Å; E448-K452 WeakPolarHBondContact OE1-CE 3.47Å; E448-K452 IonicContact OE1-NZ 2.64Å; E448-K452 PolarHBondContact OE1-NZ 2.63Å; E448-L462 HydrophobicContact CB-CB 4.16Å; E448-L462 HydrophobicContact CB-CD1 4.25Å; E448-L462 HydrophobicContact CB-CG 4.25Å; E448-L462 PolarHBondContact OE2-N 2.89Å; E448-L462 VanDerWaalsContact OE2-N 3.14Å; E448-G463 PolarHBondContact OE2-N 3.3Å
449	F	86.2	Confident	83.5	Confident	152 Å²	152	70 Å²	70	67%	0.667	36%	0.359	S	S	*	.	H	α-helix	trans	-59.5	-48.5	177.1	177.8	-97.2	0	0	0	111.8	P445 I446 S451 K452 H453	P445-F449 WeakPolarHBondContact O-CB 3.13Å; P445-F449 PolarHBondContact O-N 3.28Å; I446-F449 PolarHBondContact O-N 2.94Å; F449-S451 PolarHBondContact O-N 3.47Å; F449-K452 PolarHBondContact O-N 3.13Å; F449-H453 PolarHBondContact O-N 2.87Å; F449-H453 VanDerWaalsContact O-N 3.14Å
450	I	86.6	Confident	82.7	Confident	83 Å²	83	69.4 Å²	69.4	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-47.5	176.7	-66.8	169.6	0	0	0	110.1	I446 K452 H453 F454	I446-I450 HydrophobicContact CG2-CD1 3.9Å; I446-I450 VanDerWaalsContact O-CG1 3.32Å; I446-I450 WeakPolarHBondContact O-CG1 3.47Å; I446-I450 PolarHBondContact O-N 2.88Å; I450-K452 PolarHBondContact O-N 3.26Å; I450-H453 PolarHBondContact O-N 2.83Å; I450-H453 VanDerWaalsContact O-N 3.13Å; I450-F454 HydrophobicContact CG2-CD2 3.73Å; I450-F454 HydrophobicContact CG2-CE2 4.04Å; I450-F454 VanDerWaalsContact O-CD2 3.31Å; I450-F454 WeakPolarHBondContact O-CD2 3.48Å; I450-F454 PolarHBondContact O-N 2.56Å
451	S	83.6	Confident	82.2	Confident	24 Å²	24	66 Å²	66	17%	0.168	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-42.3	-179.5	-60.8	0	0	0	0	111.8	V447 E448 F449 H453 F454 I455	V447-S451 VanDerWaalsContact O-CB 3.23Å; V447-S451 WeakPolarHBondContact O-CB 3.44Å; V447-S451 PolarHBondContact O-N 2.67Å; V447-S451 PolarHBondContact O-OG 3.02Å; E448-S451 PolarHBondContact O-N 2.61Å; F449-S451 PolarHBondContact O-N 3.47Å; S451-H453 VanDerWaalsContact C-N 3.26Å; S451-H453 PolarHBondContact O-N 3.47Å; S451-F454 PolarHBondContact O-N 2.8Å; S451-I455 WeakPolarHBondContact O-CA 3.47Å; S451-I455 VanDerWaalsContact O-CB 3.25Å; S451-I455 WeakPolarHBondContact O-CB 3.37Å; S451-I455 PolarHBondContact O-N 3.34Å
452	K	81.7	Confident	81.9	Confident	64 Å²	64	63.4 Å²	63.4	28%	0.278	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-36.1	175.5	-78.9	174	171.9	172.2	0	112.5	E448 F449 I450 V459	E448-K452 HydrophobicContact CG-CD 4.2Å; E448-K452 WeakPolarHBondContact O-CB 3.45Å; E448-K452 WeakPolarHBondContact O-CG 3.45Å; E448-K452 PolarHBondContact O-N 2.92Å; E448-K452 WeakPolarHBondContact OE1-CE 3.47Å; E448-K452 IonicContact OE1-NZ 2.64Å; E448-K452 PolarHBondContact OE1-NZ 2.63Å; F449-K452 PolarHBondContact O-N 3.13Å; I450-K452 PolarHBondContact O-N 3.26Å; K452-V459 HydrophobicContact CB-CG2 4.3Å; K452-V459 HydrophobicContact CG-CB 3.86Å; K452-V459 HydrophobicContact CG-CG1 4.43Å; K452-V459 HydrophobicContact CG-CG2 3.71Å
453	H	80.6	Confident	81.7	Confident	143 Å²	143	57.8 Å²	57.8	66%	0.662	30%	0.299	S	S	*	.	H	α-helix	trans	-75.3	-41.9	-179.4	-166.2	70.9	0	0	0	112.9	F449 I450 S451	F449-H453 PolarHBondContact O-N 2.87Å; F449-H453 VanDerWaalsContact O-N 3.14Å; I450-H453 PolarHBondContact O-N 2.83Å; I450-H453 VanDerWaalsContact O-N 3.13Å; S451-H453 VanDerWaalsContact C-N 3.26Å; S451-H453 PolarHBondContact O-N 3.47Å
454	F	79.8	Confident	81.6	Confident	161 Å²	161	54 Å²	54	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-95.6	-31.1	-173.6	-71.9	-77.2	0	0	0	115	I450 S451	I450-F454 HydrophobicContact CG2-CD2 3.73Å; I450-F454 HydrophobicContact CG2-CE2 4.04Å; I450-F454 VanDerWaalsContact O-CD2 3.31Å; I450-F454 WeakPolarHBondContact O-CD2 3.48Å; I450-F454 PolarHBondContact O-N 2.56Å; S451-F454 PolarHBondContact O-N 2.8Å
455	I	76.2	Confident	81.6	Confident	69 Å²	69	54.5 Å²	54.5	35%	0.354	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-26	-176.5	-55.8	175.8	0	0	0	111.3	S451 I518 Y567	S451-I455 WeakPolarHBondContact O-CA 3.47Å; S451-I455 VanDerWaalsContact O-CB 3.25Å; S451-I455 WeakPolarHBondContact O-CB 3.37Å; S451-I455 PolarHBondContact O-N 3.34Å; I455-I518 HydrophobicContact CD1-CD1 3.97Å; I455-I518 HydrophobicContact CG2-CD1 3.85Å; I455-Y567 HydrophobicContact CG2-CD2 4.46Å
456	G	68.7	Low	81.9	Confident	27 Å²	27	54.4 Å²	54.4	28%	0.278	28%	0.275	S	S	.	.			trans	83.3	166.8	-173	0	0	0	0	0	112.9	V459	G456-V459 WeakPolarHBondContact O-CG2 3.47Å
457	K	75.9	Confident	82.2	Confident	100 Å²	100	54.7 Å²	54.7	44%	0.435	27%	0.273	S	S	.	.	S	Bend	trans	-86.2	154.3	178.7	-66.9	-179	-178.7	-175.2	0	111.2	N364	N364-K457 WeakPolarHBondContact OD1-CD 3.34Å; N364-K457 WeakPolarHBondContact OD1-CE 3.31Å; N364-K457 PolarHBondContact OD1-NZ 2.54Å
458	P	72.4	Confident	82.5	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.039	27%	0.266	C	S	.	.	S	Bend	cis	-70.3	136.7	-9	30.2	-40.7	0	0	0	113.3	N364 I366 Y567	N364-P458 VanDerWaalsContact O-CB 3.27Å; N364-P458 WeakPolarHBondContact O-CB 3.38Å; I366-P458 HydrophobicContact CB-CG 3.85Å; P458-Y567 HydrophobicContact CG-CD1 4.11Å; P458-Y567 HydrophobicContact CG-CE1 3.43Å; P458-Y567 VanDerWaalsContact CG-CE1 3.43Å; P458-Y567 HydrophobicContact CG-CE2 4.45Å; P458-Y567 VanDerWaalsContact O-CE2 3.31Å; P458-Y567 WeakPolarHBondContact O-CE2 3.49Å
459	V	70.6	Confident	82.8	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.067	30%	0.299	C	S	.	.			trans	-107.3	145.3	169.3	-177.5	0	0	0	0	109	K452 G456 P461	K452-V459 HydrophobicContact CB-CG2 4.3Å; K452-V459 HydrophobicContact CG-CB 3.86Å; K452-V459 HydrophobicContact CG-CG1 4.43Å; K452-V459 HydrophobicContact CG-CG2 3.71Å; G456-V459 WeakPolarHBondContact O-CG2 3.47Å; V459-P461 WeakPolarHBondContact O-CD 3.29Å
460	C	74.7	Confident	83.3	Confident	23 Å²	23	52.9 Å²	52.9	16%	0.155	29%	0.289	C	S	.	.			trans	-51.2	122.2	169.9	-173	0	0	0	0	110.1	L462 F465	C460-L462 VanDerWaalsContact C-N 3.31Å; C460-L462 HydrophobicContact CB-CD2 4.22Å; C460-L462 PolarHBondContact O-N 3.06Å; C460-F465 WeakPolarHBondContact SG-CE2 3.39Å
461	P	81.2	Confident	83.8	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.019	30%	0.297	C	S	.	.			trans	-75.5	85.3	-178.9	30.4	-34.3	0	0	0	110	I403 L406 V459 G463 A464	I403-P461 HydrophobicContact CD1-CB 3.07Å; I403-P461 HydrophobicContact CD1-CG 3.44Å; I403-P461 VanDerWaalsContact CD1-CG 3.44Å; L406-P461 HydrophobicContact CD1-CG 3.5Å; L406-P461 VanDerWaalsContact CD1-CG 3.5Å; V459-P461 WeakPolarHBondContact O-CD 3.29Å; P461-G463 PolarHBondContact O-N 3.08Å; P461-G463 VanDerWaalsContact O-N 3.15Å; P461-A464 HydrophobicContact CB-CB 4.49Å; P461-A464 HydrophobicContact CG-CB 4.36Å; P461-A464 VanDerWaalsContact O-CB 3.32Å; P461-A464 WeakPolarHBondContact O-CB 3.47Å; P461-A464 PolarHBondContact O-N 3.17Å
462	L	83.9	Confident	84.4	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.042	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-59.8	-29.7	-173.6	-56.7	-177.8	0	0	0	112.3	I436 K444 V447 E448 C460 A464 F465	I436-L462 HydrophobicContact CB-CD2 4.39Å; I436-L462 HydrophobicContact CD1-CD2 4.08Å; I436-L462 HydrophobicContact CG1-CD2 3.87Å; I436-L462 HydrophobicContact CG2-CD2 3.72Å; K444-L462 HydrophobicContact CB-CB 4.08Å; K444-L462 WeakPolarHBondContact CD-O 3.39Å; V447-L462 HydrophobicContact CB-CD1 3.75Å; V447-L462 HydrophobicContact CG1-CD1 3.51Å; E448-L462 HydrophobicContact CB-CB 4.16Å; E448-L462 HydrophobicContact CB-CD1 4.25Å; E448-L462 HydrophobicContact CB-CG 4.25Å; E448-L462 PolarHBondContact OE2-N 2.89Å; E448-L462 VanDerWaalsContact OE2-N 3.14Å; C460-L462 VanDerWaalsContact C-N 3.31Å; C460-L462 HydrophobicContact CB-CD2 4.22Å; C460-L462 PolarHBondContact O-N 3.06Å; L462-A464 PolarHBondContact O-N 3.39Å; L462-F465 WeakPolarHBondContact O-CB 3.44Å; L462-F465 PolarHBondContact O-N 3Å
463	G	83.9	Confident	85.2	Confident	21 Å²	21	54.5 Å²	54.5	22%	0.216	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-53.5	-33.8	171.5	0	0	0	0	0	113.7	E448 P461 F465 Q466	E448-G463 PolarHBondContact OE2-N 3.3Å; P461-G463 PolarHBondContact O-N 3.08Å; P461-G463 VanDerWaalsContact O-N 3.15Å; G463-F465 PolarHBondContact O-N 3.24Å; G463-Q466 WeakPolarHBondContact O-CB 3.46Å; G463-Q466 WeakPolarHBondContact O-CG 3.47Å; G463-Q466 PolarHBondContact O-N 2.71Å; G463-Q466 VanDerWaalsContact O-N 3.16Å
464	A	89.2	Confident	86	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.017	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-71.7	-9.4	177.3	0	0	0	0	0	113.7	I403 L406 H407 P461 L462	I403-A464 HydrophobicContact CG2-CB 4.35Å; L406-A464 HydrophobicContact CB-CB 3.69Å; H407-A464 WeakPolarHBondContact CA-O 3.44Å; H407-A464 HydrophobicContact CB-CB 4.37Å; H407-A464 PolarHBondContact N-O 3.03Å; P461-A464 HydrophobicContact CB-CB 4.49Å; P461-A464 HydrophobicContact CG-CB 4.36Å; P461-A464 VanDerWaalsContact O-CB 3.32Å; P461-A464 WeakPolarHBondContact O-CB 3.47Å; P461-A464 PolarHBondContact O-N 3.17Å; L462-A464 PolarHBondContact O-N 3.39Å
465	F	91.1	Very high	86.9	Confident	12 Å²	12	44.8 Å²	44.8	5%	0.053	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-98.6	6.5	174.5	-69.4	-100.6	0	0	0	112.5	L406 F410 G413 I436 T437 K444 C460 L462 G463	L406-F465 HydrophobicContact CD1-CE2 4.39Å; L406-F465 HydrophobicContact CD2-CZ 4.44Å; F410-F465 HydrophobicContact CB-CD1 4.23Å; F410-F465 HydrophobicContact CD1-CD1 4.05Å; F410-F465 HydrophobicContact CD1-CE1 4.12Å; F410-F465 AromaticContact CD2-CD1 3.75Å; F410-F465 HydrophobicContact CD2-CD1 3.75Å; F410-F465 AromaticContact CD2-CE1 3.44Å; F410-F465 HydrophobicContact CD2-CE1 3.44Å; F410-F465 VanDerWaalsContact CD2-CE1 3.44Å; F410-F465 HydrophobicContact CD2-CZ 4.08Å; F410-F465 HydrophobicContact CE1-CD1 4.34Å; F410-F465 HydrophobicContact CE1-CE1 4Å; F410-F465 HydrophobicContact CE2-CD1 4.08Å; F410-F465 AromaticContact CE2-CE1 3.31Å; F410-F465 HydrophobicContact CE2-CE1 3.31Å; F410-F465 AromaticContact CE2-CZ 3.86Å; F410-F465 HydrophobicContact CE2-CZ 3.86Å; F410-F465 AromaticContact CG-CD1 3.74Å; F410-F465 HydrophobicContact CG-CD1 3.74Å; F410-F465 AromaticContact CG-CE1 3.86Å; F410-F465 HydrophobicContact CG-CE1 3.86Å; F410-F465 HydrophobicContact CZ-CD1 4.36Å; F410-F465 AromaticContact CZ-CE1 3.61Å; F410-F465 HydrophobicContact CZ-CE1 3.61Å; F410-F465 HydrophobicContact CZ-CZ 4.44Å; G413-F465 WeakPolarHBondContact CA-O 3.34Å; I436-F465 HydrophobicContact CG2-CB 4.04Å; I436-F465 HydrophobicContact CG2-CD1 3.87Å; I436-F465 HydrophobicContact CG2-CD2 4.05Å; I436-F465 HydrophobicContact CG2-CE1 4.29Å; I436-F465 HydrophobicContact CG2-CE2 4.49Å; I436-F465 HydrophobicContact CG2-CG 3.72Å; T437-F465 HydrophobicContact CG2-CD1 4.12Å; K444-F465 HydrophobicContact CD-CB 4.39Å; K444-F465 WeakPolarHBondContact CE-O 3.46Å; C460-F465 WeakPolarHBondContact SG-CE2 3.39Å; L462-F465 WeakPolarHBondContact O-CB 3.44Å; L462-F465 PolarHBondContact O-N 3Å; G463-F465 PolarHBondContact O-N 3.24Å
466	Q	92.1	Very high	87.9	Confident	61 Å²	61	45 Å²	45	29%	0.285	28%	0.281	S	S	.	.	S	Bend	trans	-69.1	144.4	172.1	-71.4	-179.8	-30.5	0	0	110	H407 D441 K444 G463	H407-Q466 PolarHBondContact NE2-O 2.58Å; D441-Q466 HydrophobicContact CB-CG 4.22Å; D441-Q466 PolarHBondContact O-NE2 2.71Å; K444-Q466 HydrophobicContact CB-CG 4.47Å; K444-Q466 HydrophobicContact CD-CG 3.9Å; G463-Q466 WeakPolarHBondContact O-CB 3.46Å; G463-Q466 WeakPolarHBondContact O-CG 3.47Å; G463-Q466 PolarHBondContact O-N 2.71Å; G463-Q466 VanDerWaalsContact O-N 3.16Å
467	K	93.8	Very high	89.3	Confident	102 Å²	102	44 Å²	44	44%	0.443	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.1	136.7	173.2	178.7	172.3	177.5	171.3	0	109.8	A469	K467-A469 PolarHBondContact O-N 3.3Å
468	L	94.8	Very high	90.4	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.136	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.6	123.3	171.2	-69.7	172.6	0	0	0	110.3	L299 H407 A411 S470 A473 A474 L477	L299-L468 HydrophobicContact CD2-CD1 3.88Å; H407-L468 WeakPolarHBondContact NE2-CD2 3.31Å; A411-L468 HydrophobicContact CB-CD1 3.7Å; A411-L468 HydrophobicContact CB-CG 4.38Å; A411-L468 PolarHBondContact O-N 3.34Å; L468-S470 PolarHBondContact O-N 3.41Å; L468-A473 HydrophobicContact CB-CB 4.42Å; L468-A473 HydrophobicContact CD2-CB 3.94Å; L468-A474 HydrophobicContact CD1-CB 3.95Å; L468-L477 HydrophobicContact CD1-CD2 4.12Å; L468-L477 HydrophobicContact CD2-CD2 4.15Å
469	A	92.4	Very high	91.7	Very high	101 Å²	101	43.8 Å²	43.8	84%	0.835	28%	0.277	S	S	*	.			trans	-75.7	-20.5	-172.1	0	0	0	0	0	114.1	K467	K467-A469 PolarHBondContact O-N 3.3Å
470	S	96.1	Very high	93	Very high	64 Å²	64	47.8 Å²	47.8	45%	0.448	30%	0.295	S	S	.	.	S	Bend	trans	-159.2	166.6	-174.5	70.3	0	0	0	0	112.7	L468 Q472 A473 A474	L468-S470 PolarHBondContact O-N 3.41Å; S470-Q472 PolarHBondContact O-N 3.16Å; S470-Q472 PolarHBondContact OG-N 2.92Å; S470-A473 WeakPolarHBondContact O-CB 3.41Å; S470-A473 PolarHBondContact O-N 3.43Å; S470-A473 VanDerWaalsContact O-N 3.16Å; S470-A473 PolarHBondContact OG-N 2.91Å; S470-A473 VanDerWaalsContact OG-N 3.13Å; S470-A474 PolarHBondContact O-N 3.17Å
471	G	96.2	Very high	94.1	Very high	59 Å²	59	46.7 Å²	46.7	61%	0.608	29%	0.288	S	S	*	.	H	α-helix	trans	-58.8	-34	169.4	0	0	0	0	0	112.7	A474 V475	G471-A474 WeakPolarHBondContact O-CB 3.31Å; G471-A474 PolarHBondContact O-N 2.89Å; G471-V475 WeakPolarHBondContact O-CG2 3.48Å; G471-V475 PolarHBondContact O-N 3.25Å
472	Q	97.8	Very high	95	Very high	117 Å²	117	51.7 Å²	51.7	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-40.3	175.1	-172.1	62.8	55.7	0	0	111.8	S470 A474 V475 N476	S470-Q472 PolarHBondContact O-N 3.16Å; S470-Q472 PolarHBondContact OG-N 2.92Å; Q472-A474 VanDerWaalsContact C-N 3.29Å; Q472-A474 PolarHBondContact O-N 3.4Å; Q472-V475 PolarHBondContact O-N 3.39Å; Q472-N476 PolarHBondContact NE2-OD1 3.37Å; Q472-N476 WeakPolarHBondContact O-CB 3.09Å; Q472-N476 PolarHBondContact O-N 3.4Å; Q472-N476 PolarHBondContact O-OD1 3.1Å
473	A	97.4	Very high	95.7	Very high	28 Å²	28	53.9 Å²	53.9	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-38.9	175.9	0	0	0	0	0	111.5	L468 S470 N476 L477	L468-A473 HydrophobicContact CB-CB 4.42Å; L468-A473 HydrophobicContact CD2-CB 3.94Å; S470-A473 WeakPolarHBondContact O-CB 3.41Å; S470-A473 PolarHBondContact O-N 3.43Å; S470-A473 VanDerWaalsContact O-N 3.16Å; S470-A473 PolarHBondContact OG-N 2.91Å; S470-A473 VanDerWaalsContact OG-N 3.13Å; A473-N476 PolarHBondContact O-N 3.17Å; A473-L477 WeakPolarHBondContact O-CB 3.2Å; A473-L477 PolarHBondContact O-N 3.44Å
474	A	97.9	Very high	96.4	Very high	22 Å²	22	52.9 Å²	52.9	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-45.2	174.8	0	0	0	0	0	112.6	L299 L468 S470 G471 Q472 N476 L477 I478	L299-A474 HydrophobicContact CD2-CB 3.86Å; L468-A474 HydrophobicContact CD1-CB 3.95Å; S470-A474 PolarHBondContact O-N 3.17Å; G471-A474 WeakPolarHBondContact O-CB 3.31Å; G471-A474 PolarHBondContact O-N 2.89Å; Q472-A474 VanDerWaalsContact C-N 3.29Å; Q472-A474 PolarHBondContact O-N 3.4Å; A474-N476 PolarHBondContact O-N 3.14Å; A474-L477 PolarHBondContact O-N 3.46Å; A474-I478 WeakPolarHBondContact O-CG1 3.5Å; A474-I478 PolarHBondContact O-N 2.97Å
475	V	98.2	Very high	96.8	Very high	79 Å²	79	55.6 Å²	55.6	48%	0.479	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.8	173.3	0	0	0	0	111.6	G471 Q472 I478 S479	G471-V475 WeakPolarHBondContact O-CG2 3.48Å; G471-V475 PolarHBondContact O-N 3.25Å; Q472-V475 PolarHBondContact O-N 3.39Å; V475-I478 PolarHBondContact O-N 3.33Å; V475-S479 WeakPolarHBondContact O-CB 3Å; V475-S479 PolarHBondContact O-N 2.73Å; V475-S479 PolarHBondContact O-OG 3.25Å
476	N	98.3	Very high	97.2	Very high	74 Å²	74	63.1 Å²	63.1	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-47.7	175.7	-70.4	-1.6	0	0	0	111.2	Q472 A473 A474 I478 S479 E480	Q472-N476 PolarHBondContact NE2-OD1 3.37Å; Q472-N476 WeakPolarHBondContact O-CB 3.09Å; Q472-N476 PolarHBondContact O-N 3.4Å; Q472-N476 PolarHBondContact O-OD1 3.1Å; A473-N476 PolarHBondContact O-N 3.17Å; A474-N476 PolarHBondContact O-N 3.14Å; N476-I478 VanDerWaalsContact C-N 3.34Å; N476-I478 PolarHBondContact O-N 2.93Å; N476-S479 CarbonylContact O-C 3.45Å; N476-S479 WeakPolarHBondContact O-CA 3.15Å; N476-S479 WeakPolarHBondContact O-CB 3.34Å; N476-S479 PolarHBondContact O-N 2.83Å; N476-E480 PolarHBondContact O-N 3.34Å
477	L	98.3	Very high	97.5	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-44.7	178.3	177.7	58.2	0	0	0	112	L299 L404 H407 A408 L468 A473 A474 S479 E480 I481	L299-L477 HydrophobicContact CD2-CD2 4.16Å; L404-L477 HydrophobicContact CB-CD1 4.41Å; L404-L477 HydrophobicContact CD2-CD1 3.77Å; H407-L477 HydrophobicContact CB-CD1 4.21Å; H407-L477 HydrophobicContact CB-CD2 4.08Å; A408-L477 HydrophobicContact CB-CD2 4.29Å; L468-L477 HydrophobicContact CD1-CD2 4.12Å; L468-L477 HydrophobicContact CD2-CD2 4.15Å; A473-L477 WeakPolarHBondContact O-CB 3.2Å; A473-L477 PolarHBondContact O-N 3.44Å; A474-L477 PolarHBondContact O-N 3.46Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 3.35Å; L477-E480 PolarHBondContact O-N 2.94Å; L477-I481 HydrophobicContact CD1-CD1 4.22Å; L477-I481 HydrophobicContact CD1-CG1 4.45Å; L477-I481 HydrophobicContact CG-CD1 4.21Å; L477-I481 WeakPolarHBondContact O-CG1 3.3Å; L477-I481 PolarHBondContact O-N 3.4Å
478	I	98.4	Very high	97.7	Very high	38 Å²	38	57.6 Å²	57.6	20%	0.195	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-42.8	174.3	-68.6	171.3	0	0	0	110.9	L299 Y300 A474 V475 N476 I481 K482	L299-I478 HydrophobicContact CD1-CD1 4.16Å; L299-I478 HydrophobicContact CD2-CD1 4.24Å; L299-I478 HydrophobicContact CD2-CG1 4.04Å; L299-I478 HydrophobicContact CG-CD1 4.2Å; L299-I478 HydrophobicContact CG-CG1 4.18Å; Y300-I478 HydrophobicContact CD1-CB 4.48Å; Y300-I478 HydrophobicContact CD1-CG1 4.37Å; Y300-I478 HydrophobicContact CD1-CG2 4.01Å; Y300-I478 HydrophobicContact CD2-CD1 4.47Å; Y300-I478 HydrophobicContact CD2-CG1 4.3Å; Y300-I478 HydrophobicContact CD2-CG2 3.98Å; Y300-I478 HydrophobicContact CE1-CG2 4.01Å; Y300-I478 HydrophobicContact CE2-CG2 4.01Å; Y300-I478 HydrophobicContact CG-CB 4.43Å; Y300-I478 HydrophobicContact CG-CG1 3.92Å; Y300-I478 HydrophobicContact CG-CG2 4.01Å; A474-I478 WeakPolarHBondContact O-CG1 3.5Å; A474-I478 PolarHBondContact O-N 2.97Å; V475-I478 PolarHBondContact O-N 3.33Å; N476-I478 VanDerWaalsContact C-N 3.34Å; N476-I478 PolarHBondContact O-N 2.93Å; I478-I481 PolarHBondContact O-N 2.86Å; I478-K482 HydrophobicContact CG2-CD 4.23Å; I478-K482 WeakPolarHBondContact O-CG 3.4Å; I478-K482 PolarHBondContact O-N 3.09Å
479	S	98.6	Very high	97.8	Very high	62 Å²	62	57.7 Å²	57.7	43%	0.434	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-39.2	-179.2	-57.2	0	0	0	0	111.7	V475 N476 L477 K482 A483	V475-S479 WeakPolarHBondContact O-CB 3Å; V475-S479 PolarHBondContact O-N 2.73Å; V475-S479 PolarHBondContact O-OG 3.25Å; N476-S479 CarbonylContact O-C 3.45Å; N476-S479 WeakPolarHBondContact O-CA 3.15Å; N476-S479 WeakPolarHBondContact O-CB 3.34Å; N476-S479 PolarHBondContact O-N 2.83Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 3.35Å; S479-K482 PolarHBondContact O-N 3.34Å; S479-A483 WeakPolarHBondContact O-CB 3.41Å; S479-A483 PolarHBondContact O-N 3.31Å
480	E	98.6	Very high	98.1	Very high	95 Å²	95	58 Å²	58	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-68.1	-39.3	175.4	-71.6	-177	-125.4	0	0	112.6	L404 N476 L477 K482 A483 Y484	L404-E480 HydrophobicContact CD1-CB 4.14Å; L404-E480 HydrophobicContact CD2-CB 3.65Å; L404-E480 WeakPolarHBondContact CD2-OE2 3.3Å; N476-E480 PolarHBondContact O-N 3.34Å; L477-E480 PolarHBondContact O-N 2.94Å; E480-K482 VanDerWaalsContact C-N 3.35Å; E480-A483 PolarHBondContact O-N 3.48Å; E480-Y484 PolarHBondContact O-N 3.08Å
481	I	98.6	Very high	98.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-44.4	172.5	-68.7	167	0	0	0	110.3	Y300 L404 A408 L477 I478 Y484 R485 I532	Y300-I481 HydrophobicContact CD1-CB 4.23Å; Y300-I481 HydrophobicContact CD1-CD1 4.37Å; Y300-I481 HydrophobicContact CD1-CG2 3.89Å; Y300-I481 HydrophobicContact CE1-CB 4.46Å; Y300-I481 HydrophobicContact CE1-CG2 3.99Å; L404-I481 HydrophobicContact CB-CG1 3.94Å; A408-I481 HydrophobicContact CB-CD1 3.82Å; L477-I481 HydrophobicContact CD1-CD1 4.22Å; L477-I481 HydrophobicContact CD1-CG1 4.45Å; L477-I481 HydrophobicContact CG-CD1 4.21Å; L477-I481 WeakPolarHBondContact O-CG1 3.3Å; L477-I481 PolarHBondContact O-N 3.4Å; I478-I481 PolarHBondContact O-N 2.86Å; I481-Y484 PolarHBondContact O-N 3.11Å; I481-R485 WeakPolarHBondContact O-CG 3.16Å; I481-R485 PolarHBondContact O-N 3.13Å; I481-I532 HydrophobicContact CG2-CG2 4.24Å
482	K	98.6	Very high	98.3	Very high	108 Å²	108	53.2 Å²	53.2	47%	0.47	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-43	175.4	-74.3	175.6	177.8	-178.7	0	112.1	Y300 I478 S479 E480 Y484 R485 Y486	Y300-K482 HydrophobicContact CE1-CG 3.94Å; Y300-K482 WeakPolarHBondContact OH-CE 3.3Å; I478-K482 HydrophobicContact CG2-CD 4.23Å; I478-K482 WeakPolarHBondContact O-CG 3.4Å; I478-K482 PolarHBondContact O-N 3.09Å; S479-K482 PolarHBondContact O-N 3.34Å; E480-K482 VanDerWaalsContact C-N 3.35Å; K482-Y484 VanDerWaalsContact C-N 3.33Å; K482-Y484 PolarHBondContact O-N 3.22Å; K482-R485 WeakPolarHBondContact O-CB 3.49Å; K482-R485 PolarHBondContact O-N 2.97Å; K482-Y486 PolarHBondContact O-N 3.41Å
483	A	98.7	Very high	98.2	Very high	53 Å²	53	52 Å²	52	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.3	0	0	0	0	0	111.4	S479 E480 Y486 E487	S479-A483 WeakPolarHBondContact O-CB 3.41Å; S479-A483 PolarHBondContact O-N 3.31Å; E480-A483 PolarHBondContact O-N 3.48Å; A483-Y486 PolarHBondContact O-N 3.05Å; A483-E487 WeakPolarHBondContact O-CB 3.23Å; A483-E487 PolarHBondContact O-N 3.13Å
484	Y	98.8	Very high	98.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-40.9	174.9	-175.9	-97.2	0	0	0	112.6	P396 H397 K400 A401 E480 I481 K482 Y486 E487 F488 L529 L533	P396-Y484 WeakPolarHBondContact O-CE2 3.48Å; P396-Y484 PolarHBondContact O-OH 3.43Å; H397-Y484 HydrophobicContact CB-CE2 4.47Å; K400-Y484 HydrophobicContact CD-CD2 4.44Å; A401-Y484 HydrophobicContact CB-CD1 3.91Å; A401-Y484 HydrophobicContact CB-CD2 4.38Å; A401-Y484 HydrophobicContact CB-CE1 3.34Å; A401-Y484 HydrophobicContact CB-CE2 3.87Å; A401-Y484 HydrophobicContact CB-CG 4.4Å; E480-Y484 PolarHBondContact O-N 3.08Å; I481-Y484 PolarHBondContact O-N 3.11Å; K482-Y484 VanDerWaalsContact C-N 3.33Å; K482-Y484 PolarHBondContact O-N 3.22Å; Y484-Y486 VanDerWaalsContact C-N 3.29Å; Y484-Y486 PolarHBondContact O-N 3.18Å; Y484-E487 WeakPolarHBondContact O-CB 3.4Å; Y484-E487 PolarHBondContact O-N 3.12Å; Y484-F488 HydrophobicContact CE1-CB 4.43Å; Y484-F488 HydrophobicContact CE1-CD2 4.5Å; Y484-F488 WeakPolarHBondContact O-CB 3.22Å; Y484-F488 PolarHBondContact O-N 3.12Å; Y484-L529 HydrophobicContact CE1-CD1 3.83Å; Y484-L533 HydrophobicContact CD1-CD2 4.02Å; Y484-L533 HydrophobicContact CE1-CD2 3.84Å; Y484-L533 HydrophobicContact CE1-CG 4.5Å
485	R	98.5	Very high	98	Very high	59 Å²	59	57.3 Å²	57.3	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-42.4	173.7	-75.3	179.7	177.6	-170.6	-2.1	111.8	I481 K482 A489 I532 L533	I481-R485 WeakPolarHBondContact O-CG 3.16Å; I481-R485 PolarHBondContact O-N 3.13Å; K482-R485 WeakPolarHBondContact O-CB 3.49Å; K482-R485 PolarHBondContact O-N 2.97Å; R485-A489 WeakPolarHBondContact O-CB 3.47Å; R485-A489 PolarHBondContact O-N 3Å; R485-I532 VanDerWaalsContact CZ-O 3.22Å; R485-I532 PolarHBondContact NE-O 3.44Å; R485-I532 PolarHBondContact NH2-O 3.42Å; R485-L533 HydrophobicContact CG-CD2 4.17Å
486	Y	98.4	Very high	97.4	Very high	170 Å²	170	54.4 Å²	54.4	67%	0.667	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-44.7	175.9	178.3	-99.1	0	0	0	111.9	K482 A483 Y484 A489 K490	K482-Y486 PolarHBondContact O-N 3.41Å; A483-Y486 PolarHBondContact O-N 3.05Å; Y484-Y486 VanDerWaalsContact C-N 3.29Å; Y484-Y486 PolarHBondContact O-N 3.18Å; Y486-A489 PolarHBondContact O-N 3.26Å; Y486-K490 WeakPolarHBondContact O-CB 3.38Å; Y486-K490 PolarHBondContact O-N 3.41Å
487	E	98.5	Very high	96.9	Very high	47 Å²	47	54.8 Å²	54.8	22%	0.22	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.3	-173.2	-172.5	160.1	0	0	112.2	P396 H397 K400 A483 Y484 K490 A491	P396-E487 HydrophobicContact CB-CG 4.26Å; H397-E487 IonicContact CE1-OE1 3.28Å; H397-E487 PolarHBondContact CE1-OE1 3.15Å; H397-E487 IonicContact CG-OE1 3.82Å; H397-E487 IonicContact ND1-OE1 2.97Å; H397-E487 PolarHBondContact ND1-OE1 3.44Å; K400-E487 IonicContact NZ-OE2 3.61Å; A483-E487 WeakPolarHBondContact O-CB 3.23Å; A483-E487 PolarHBondContact O-N 3.13Å; Y484-E487 WeakPolarHBondContact O-CB 3.4Å; Y484-E487 PolarHBondContact O-N 3.12Å; E487-K490 WeakPolarHBondContact O-CB 3.43Å; E487-K490 PolarHBondContact O-N 2.48Å; E487-A491 PolarHBondContact O-N 2.99Å
488	F	98.4	Very high	96.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-44.5	176.3	-170	-82.6	0	0	0	111.8	F393 V395 P396 Y484 K490 A491 W492 L501 L529 Y530 L533 Y535	F393-F488 AromaticContact CE1-CE2 3.99Å; F393-F488 HydrophobicContact CE1-CE2 3.99Å; F393-F488 AromaticContact CE1-CZ 3.86Å; F393-F488 HydrophobicContact CE1-CZ 3.86Å; F393-F488 HydrophobicContact CZ-CE2 4.29Å; F393-F488 HydrophobicContact CZ-CZ 4.13Å; V395-F488 HydrophobicContact CG1-CD2 4.45Å; V395-F488 HydrophobicContact CG1-CE2 4.05Å; P396-F488 HydrophobicContact CG-CB 4.34Å; P396-F488 HydrophobicContact CG-CD2 4.05Å; Y484-F488 HydrophobicContact CE1-CB 4.43Å; Y484-F488 HydrophobicContact CE1-CD2 4.5Å; Y484-F488 WeakPolarHBondContact O-CB 3.22Å; Y484-F488 PolarHBondContact O-N 3.12Å; F488-K490 VanDerWaalsContact C-N 3.28Å; F488-K490 PolarHBondContact O-N 3.4Å; F488-A491 PolarHBondContact O-N 3.38Å; F488-W492 AromaticContact CE1-CE3 3.63Å; F488-W492 HydrophobicContact CE1-CE3 3.63Å; F488-W492 HydrophobicContact CE1-CZ3 4.2Å; F488-W492 HydrophobicContact CZ-CE3 4.24Å; F488-W492 WeakPolarHBondContact O-CB 3.42Å; F488-W492 PolarHBondContact O-N 2.82Å; F488-L501 HydrophobicContact CZ-CD2 4.44Å; F488-L529 HydrophobicContact CE2-CD2 4.3Å; F488-Y530 HydrophobicContact CZ-CE1 4.25Å; F488-L533 HydrophobicContact CB-CD2 3.58Å; F488-L533 HydrophobicContact CD1-CD1 3.61Å; F488-L533 HydrophobicContact CD1-CD2 3.98Å; F488-L533 HydrophobicContact CD1-CG 4.4Å; F488-L533 HydrophobicContact CD2-CD1 3.61Å; F488-L533 HydrophobicContact CD2-CD2 4.16Å; F488-L533 HydrophobicContact CE1-CD1 3.56Å; F488-L533 HydrophobicContact CE2-CD1 3.57Å; F488-L533 HydrophobicContact CG-CD1 3.64Å; F488-L533 HydrophobicContact CG-CD2 3.64Å; F488-L533 HydrophobicContact CG-CG 4.29Å; F488-L533 HydrophobicContact CZ-CD1 3.56Å; F488-Y535 HydrophobicContact CD1-CE2 4.15Å; F488-Y535 HydrophobicContact CE1-CD2 4.24Å; F488-Y535 AromaticContact CE1-CE2 3.77Å; F488-Y535 HydrophobicContact CE1-CE2 3.77Å
489	A	98	Very high	96.9	Very high	29 Å²	29	53.8 Å²	53.8	24%	0.24	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-36.3	176.6	0	0	0	0	0	112.3	R485 Y486 N493	R485-A489 WeakPolarHBondContact O-CB 3.47Å; R485-A489 PolarHBondContact O-N 3Å; Y486-A489 PolarHBondContact O-N 3.26Å; A489-N493 PolarHBondContact O-N 3.5Å; A489-N493 VanDerWaalsContact O-N 3.09Å; A489-N493 PolarHBondContact O-ND2 2.99Å; A489-N493 VanDerWaalsContact O-ND2 3.12Å
490	K	98	Very high	96.9	Very high	107 Å²	107	50.9 Å²	50.9	47%	0.465	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-51.7	173.5	179.8	179.5	173.2	-175.4	0	111.1	Y486 E487 F488 W492 N493 E494	Y486-K490 WeakPolarHBondContact O-CB 3.38Å; Y486-K490 PolarHBondContact O-N 3.41Å; E487-K490 WeakPolarHBondContact O-CB 3.43Å; E487-K490 PolarHBondContact O-N 2.48Å; F488-K490 VanDerWaalsContact C-N 3.28Å; F488-K490 PolarHBondContact O-N 3.4Å; K490-W492 VanDerWaalsContact C-N 3.29Å; K490-W492 PolarHBondContact O-N 3.4Å; K490-N493 PolarHBondContact O-N 3.08Å; K490-N493 VanDerWaalsContact O-N 3.12Å; K490-E494 WeakPolarHBondContact CE-OE1 3.47Å; K490-E494 HydrophobicContact CG-CG 4.39Å; K490-E494 IonicContact NZ-OE1 2.94Å; K490-E494 WeakPolarHBondContact O-CG 3.28Å; K490-E494 PolarHBondContact O-N 3.46Å
491	A	97.9	Very high	96.9	Very high	20 Å²	20	46.3 Å²	46.3	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-41.2	177.5	0	0	0	0	0	112.1	F393 P396 E487 F488 N493 E494 A495	F393-A491 HydrophobicContact CE2-CB 4.28Å; F393-A491 HydrophobicContact CZ-CB 4.31Å; P396-A491 HydrophobicContact CB-CB 4.48Å; P396-A491 HydrophobicContact CG-CB 3.86Å; E487-A491 PolarHBondContact O-N 2.99Å; F488-A491 PolarHBondContact O-N 3.38Å; A491-N493 VanDerWaalsContact C-N 3.33Å; A491-N493 PolarHBondContact O-N 3.36Å; A491-E494 PolarHBondContact O-N 3Å; A491-A495 PolarHBondContact O-N 3.43Å
492	W	97.8	Very high	96.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-42.7	175.1	-176.6	-71.8	0	0	0	112.5	F488 K490 L498 L501 Y535 K590	F488-W492 AromaticContact CE1-CE3 3.63Å; F488-W492 HydrophobicContact CE1-CE3 3.63Å; F488-W492 HydrophobicContact CE1-CZ3 4.2Å; F488-W492 HydrophobicContact CZ-CE3 4.24Å; F488-W492 WeakPolarHBondContact O-CB 3.42Å; F488-W492 PolarHBondContact O-N 2.82Å; K490-W492 VanDerWaalsContact C-N 3.29Å; K490-W492 PolarHBondContact O-N 3.4Å; W492-L498 HydrophobicContact CD2-CB 4.15Å; W492-L498 HydrophobicContact CD2-CD1 4.15Å; W492-L498 HydrophobicContact CE3-CD1 4.31Å; W492-L498 HydrophobicContact CG-CB 4.45Å; W492-L498 HydrophobicContact CG-CD1 4.44Å; W492-L498 HydrophobicContact CZ2-CB 3.82Å; W492-L498 PolarHBondContact NE1-O 3.28Å; W492-L501 HydrophobicContact CH2-CB 3.79Å; W492-L501 HydrophobicContact CZ3-CB 3.67Å; W492-L501 HydrophobicContact CZ3-CD2 3.96Å; W492-L501 HydrophobicContact CZ3-CG 4.48Å; W492-Y535 HydrophobicContact CD2-CE2 4.14Å; W492-Y535 HydrophobicContact CE3-CD2 4.39Å; W492-Y535 AromaticContact CE3-CE2 3.78Å; W492-Y535 HydrophobicContact CE3-CE2 3.78Å; W492-Y535 HydrophobicContact CH2-CD2 4.38Å; W492-Y535 HydrophobicContact CH2-CE2 4.32Å; W492-Y535 HydrophobicContact CZ3-CD2 4.02Å; W492-Y535 AromaticContact CZ3-CE2 3.85Å; W492-Y535 HydrophobicContact CZ3-CE2 3.85Å; W492-K590 HydrophobicContact CZ2-CG 4.04Å
493	N	96.7	Very high	96.9	Very high	92 Å²	92	41.1 Å²	41.1	49%	0.492	22%	0.219	S	C	.	.	H	α-helix	trans	-72.5	-39.7	178	-72.3	-34.7	0	0	0	112.4	A489 K490 A491 A495 G496	A489-N493 PolarHBondContact O-N 3.5Å; A489-N493 VanDerWaalsContact O-N 3.09Å; A489-N493 PolarHBondContact O-ND2 2.99Å; A489-N493 VanDerWaalsContact O-ND2 3.12Å; K490-N493 PolarHBondContact O-N 3.08Å; K490-N493 VanDerWaalsContact O-N 3.12Å; A491-N493 VanDerWaalsContact C-N 3.33Å; A491-N493 PolarHBondContact O-N 3.36Å; N493-A495 VanDerWaalsContact C-N 3.33Å; N493-A495 PolarHBondContact O-N 2.97Å; N493-G496 PolarHBondContact O-N 3.38Å
494	E	96.5	Very high	96.9	Very high	137 Å²	137	38.6 Å²	38.6	64%	0.64	20%	0.198	S	C	*	.	H	α-helix	trans	-68.7	-28.5	-179	-73.2	176.4	163.6	0	0	113.2	K490 A491 G496	K490-E494 WeakPolarHBondContact CE-OE1 3.47Å; K490-E494 HydrophobicContact CG-CG 4.39Å; K490-E494 IonicContact NZ-OE1 2.94Å; K490-E494 WeakPolarHBondContact O-CG 3.28Å; K490-E494 PolarHBondContact O-N 3.46Å; A491-E494 PolarHBondContact O-N 3Å; E494-G496 PolarHBondContact O-N 3.09Å; E494-G496 VanDerWaalsContact O-N 3.08Å
495	A	94.2	Very high	96.9	Very high	25 Å²	25	38.7 Å²	38.7	21%	0.207	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-2.8	173.8	0	0	0	0	0	113.9	V391 F393 A491 N493 L498	V391-A495 WeakPolarHBondContact CG1-O 3.28Å; F393-A495 HydrophobicContact CD2-CB 3.8Å; F393-A495 HydrophobicContact CE2-CB 4.2Å; A491-A495 PolarHBondContact O-N 3.43Å; N493-A495 VanDerWaalsContact C-N 3.33Å; N493-A495 PolarHBondContact O-N 2.97Å; A495-L498 HydrophobicContact CB-CD1 4.17Å; A495-L498 HydrophobicContact CB-CD2 4.18Å; A495-L498 HydrophobicContact CB-CG 4.21Å
496	G	86.3	Confident	96.9	Very high	18 Å²	18	36 Å²	36	19%	0.186	19%	0.189	C	C	.	.	S	Bend	trans	98.1	97.2	-173.7	0	0	0	0	0	108.1	V353 N493 E494 L498	V353-G496 WeakPolarHBondContact CG1-O 3.4Å; N493-G496 PolarHBondContact O-N 3.38Å; E494-G496 PolarHBondContact O-N 3.09Å; E494-G496 VanDerWaalsContact O-N 3.08Å; G496-L498 WeakPolarHBondContact O-CA 3.01Å; G496-L498 VanDerWaalsContact O-CD2 3.31Å; G496-L498 WeakPolarHBondContact O-CD2 3.47Å; G496-L498 PolarHBondContact O-N 3.13Å
497	P	88	Confident	96.9	Very high	82 Å²	82	27.9 Å²	27.9	53%	0.532	16%	0.157	S	C	.	.			trans	-34.4	96.4	-156.5	18.5	-35.1	0	0	0	112.5
498	L	97.9	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.			trans	-68.8	141.1	-167.8	-51.5	170.2	0	0	0	109.8	V353 V391 F393 W492 A495 G496	V353-L498 HydrophobicContact CG1-CD2 3.98Å; V391-L498 HydrophobicContact CB-CD2 4.32Å; F393-L498 HydrophobicContact CD2-CD1 3.73Å; F393-L498 HydrophobicContact CE2-CD1 4.12Å; F393-L498 HydrophobicContact CG-CD1 4.21Å; W492-L498 HydrophobicContact CD2-CB 4.15Å; W492-L498 HydrophobicContact CD2-CD1 4.15Å; W492-L498 HydrophobicContact CE3-CD1 4.31Å; W492-L498 HydrophobicContact CG-CB 4.45Å; W492-L498 HydrophobicContact CG-CD1 4.44Å; W492-L498 HydrophobicContact CZ2-CB 3.82Å; W492-L498 PolarHBondContact NE1-O 3.28Å; A495-L498 HydrophobicContact CB-CD1 4.17Å; A495-L498 HydrophobicContact CB-CD2 4.18Å; A495-L498 HydrophobicContact CB-CG 4.21Å; G496-L498 WeakPolarHBondContact O-CA 3.01Å; G496-L498 VanDerWaalsContact O-CD2 3.31Å; G496-L498 WeakPolarHBondContact O-CD2 3.47Å; G496-L498 PolarHBondContact O-N 3.13Å
499	D	97.8	Very high	96.9	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.123	15%	0.149	C	C	.	.	S	Bend	trans	-86.3	-36.5	172	-62.4	-55.1	0	0	0	110.3	R349 L352 V353 T596	R349-D499 IonicContact CZ-OD1 2.67Å; R349-D499 IonicContact CZ-OD2 2.74Å; R349-D499 IonicContact NE-OD2 3.64Å; R349-D499 VanDerWaalsContact NH1-CG 3.28Å; R349-D499 IonicContact NH1-OD1 3.58Å; R349-D499 PolarHBondContact NH1-OD1 3.03Å; R349-D499 IonicContact NH1-OD2 2.86Å; R349-D499 PolarHBondContact NH1-OD2 3.05Å; R349-D499 IonicContact NH2-OD2 3.48Å; R349-D499 PolarHBondContact NH2-OD2 3.4Å; L352-D499 WeakPolarHBondContact CA-OD2 3.37Å; L352-D499 HydrophobicContact CB-CB 4.12Å; L352-D499 HydrophobicContact CD2-CB 4Å; V353-D499 PolarHBondContact N-OD2 2.68Å; V353-D499 PolarHBondContact O-N 2.95Å; D499-T596 HydrophobicContact CB-CG2 4.39Å
500	A	98.5	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	168.4	175.6	0	0	0	0	0	111.3	I354 G355 V587 V588 V600	I354-A500 WeakPolarHBondContact CA-O 3.22Å; G355-A500 PolarHBondContact N-O 3.36Å; A500-V587 HydrophobicContact CB-CG1 4.41Å; A500-V588 CarbonylContact C-O 3.52Å; A500-V588 WeakPolarHBondContact CA-O 3.36Å; A500-V600 HydrophobicContact CB-CG2 4.02Å
501	L	98.8	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.6	174.8	173.9	65	0	0	0	108.9	G355 Y357 F393 F488 W492 Y530 V587 V588	G355-L501 VanDerWaalsContact C-CD1 3.42Å; G355-L501 CarbonylContact O-C 3.32Å; G355-L501 VanDerWaalsContact O-CA 3.32Å; G355-L501 WeakPolarHBondContact O-CA 3.39Å; G355-L501 WeakPolarHBondContact O-CD1 3.31Å; Y357-L501 HydrophobicContact CD1-CD1 4.02Å; Y357-L501 HydrophobicContact CD1-CD2 4.34Å; Y357-L501 HydrophobicContact CD1-CG 4.42Å; Y357-L501 HydrophobicContact CE1-CD1 4.41Å; Y357-L501 HydrophobicContact CE1-CD2 3.98Å; Y357-L501 HydrophobicContact CE1-CG 4.33Å; F393-L501 HydrophobicContact CB-CD1 3.76Å; F393-L501 HydrophobicContact CD1-CD1 3.78Å; F393-L501 HydrophobicContact CD1-CD2 3.81Å; F393-L501 HydrophobicContact CD1-CG 4.47Å; F393-L501 HydrophobicContact CE1-CD2 3.99Å; F393-L501 HydrophobicContact CG-CD1 3.98Å; F488-L501 HydrophobicContact CZ-CD2 4.44Å; W492-L501 HydrophobicContact CH2-CB 3.79Å; W492-L501 HydrophobicContact CZ3-CB 3.67Å; W492-L501 HydrophobicContact CZ3-CD2 3.96Å; W492-L501 HydrophobicContact CZ3-CG 4.48Å; L501-Y530 HydrophobicContact CD2-CE1 4.23Å; L501-Y530 WeakPolarHBondContact CD2-OH 3.28Å; L501-V587 CarbonylContact O-C 3.32Å; L501-V587 WeakPolarHBondContact O-CA 3.38Å; L501-V588 HydrophobicContact CB-CB 4.24Å; L501-V588 PolarHBondContact N-O 3.37Å; L501-V588 PolarHBondContact O-N 2.9Å
502	I	98.8	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.7	173.6	66.8	170.8	0	0	0	111	I354 G355 Y356 Y357 V376 A379 A380 L383 I585 Q586 V587 V600 I604	I354-I502 HydrophobicContact CG2-CG1 4.39Å; I354-I502 HydrophobicContact CG2-CG2 3.97Å; G355-I502 PolarHBondContact O-N 3.37Å; Y356-I502 VanDerWaalsContact CA-O 3.28Å; Y356-I502 WeakPolarHBondContact CA-O 3.45Å; Y356-I502 VanDerWaalsContact CB-CG1 3.4Å; Y357-I502 PolarHBondContact N-O 3.13Å; V376-I502 HydrophobicContact CG1-CD1 4.47Å; V376-I502 HydrophobicContact CG1-CG1 4.36Å; A379-I502 HydrophobicContact CB-CD1 4.21Å; A380-I502 HydrophobicContact CB-CD1 3.98Å; L383-I502 HydrophobicContact CD1-CD1 4.05Å; L383-I502 HydrophobicContact CD1-CG2 4.22Å; I502-I585 HydrophobicContact CB-CG2 4.18Å; I502-Q586 CarbonylContact C-O 3.53Å; I502-Q586 WeakPolarHBondContact CA-O 3.44Å; I502-V587 HydrophobicContact CG2-CG2 4.22Å; I502-V600 HydrophobicContact CG2-CG1 4.11Å; I502-I604 HydrophobicContact CG2-CD1 4.08Å
503	C	98.8	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	173.2	-175.6	59.8	0	0	0	0	111.5	Y357 Y530 Q586	Y357-C503 HydrophobicContact CD1-CB 3.82Å; Y357-C503 HydrophobicContact CD2-CB 4.28Å; Y357-C503 HydrophobicContact CE1-CB 3.31Å; Y357-C503 HydrophobicContact CE2-CB 3.83Å; Y357-C503 HydrophobicContact CG-CB 4.27Å; Y357-C503 WeakPolarHBondContact O-CA 3.35Å; C503-Y530 PolarHBondContact SG-OH 3.21Å; C503-Y530 VanDerWaalsContact SG-OH 3.34Å; C503-Q586 PolarHBondContact N-O 2.75Å; C503-Q586 WeakPolarHBondContact O-CA 3.49Å; C503-Q586 WeakPolarHBondContact O-CB 3.48Å; C503-Q586 PolarHBondContact O-N 2.82Å
504	P	98.6	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.7	172.6	-23.5	35.6	0	0	0	112.1	Y357 S358 V368 V376 Y526 Q586	Y357-P504 WeakPolarHBondContact O-CD 3.29Å; S358-P504 VanDerWaalsContact O-CG 3.25Å; S358-P504 WeakPolarHBondContact O-CG 3.41Å; V368-P504 HydrophobicContact CG1-CB 4.23Å; V368-P504 HydrophobicContact CG1-CG 3.96Å; V368-P504 HydrophobicContact CG2-CB 4.35Å; V368-P504 HydrophobicContact CG2-CG 4.04Å; V376-P504 HydrophobicContact CG2-CG 3.92Å; P504-Y526 HydrophobicContact CB-CD1 4.21Å; P504-Q586 PolarHBondContact O-NE2 3.46Å; P504-Q586 VanDerWaalsContact O-NE2 3.11Å
505	V	98.7	Very high	96.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	12%	0.121	C	C	.	.	S	Bend	trans	-75.3	-40.3	166.4	-173.3	0	0	0	0	110.3	R267 A271 Y526 T527 A539 Q586	R267-V505 HydrophobicContact CB-CG1 4.02Å; A271-V505 HydrophobicContact CB-CB 3.96Å; A271-V505 HydrophobicContact CB-CG1 3.79Å; A271-V505 HydrophobicContact CB-CG2 4.14Å; V505-Y526 WeakPolarHBondContact O-CB 3.43Å; V505-T527 HydrophobicContact CG1-CG2 3.83Å; V505-T527 WeakPolarHBondContact O-CG2 3.35Å; V505-A539 HydrophobicContact CG1-CB 4.43Å; V505-A539 HydrophobicContact CG2-CB 3.86Å; V505-Q586 HydrophobicContact CB-CB 4.39Å; V505-Q586 HydrophobicContact CG2-CB 3.73Å
506	F	98.4	Very high	96.5	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.133	C	C	.	.	S	Bend	trans	-146.6	152.7	-176.1	-145.7	-108	0	0	0	108.9	L218 I268 F272 N372 Y508 I520	L218-F506 HydrophobicContact CD1-CE2 3.9Å; L218-F506 HydrophobicContact CD1-CZ 3.88Å; I268-F506 HydrophobicContact CD1-CD2 4.27Å; I268-F506 HydrophobicContact CD1-CE2 4.06Å; I268-F506 HydrophobicContact CG1-CD2 4.14Å; I268-F506 HydrophobicContact CG1-CE2 4.39Å; I268-F506 HydrophobicContact CG2-CD2 4.38Å; I268-F506 HydrophobicContact CG2-CE2 4.4Å; F272-F506 HydrophobicContact CE1-CB 4.05Å; F272-F506 AromaticContact CE1-CD1 3.84Å; F272-F506 HydrophobicContact CE1-CD1 3.84Å; F272-F506 HydrophobicContact CE1-CE1 4.45Å; F272-F506 AromaticContact CE1-CG 3.94Å; F272-F506 HydrophobicContact CE1-CG 3.94Å; F272-F506 AromaticContact CZ-CD1 3.56Å; F272-F506 HydrophobicContact CZ-CD1 3.56Å; F272-F506 HydrophobicContact CZ-CD2 4.4Å; F272-F506 AromaticContact CZ-CE1 3.72Å; F272-F506 HydrophobicContact CZ-CE1 3.72Å; F272-F506 AromaticContact CZ-CG 3.92Å; F272-F506 HydrophobicContact CZ-CG 3.92Å; F272-F506 HydrophobicContact CZ-CZ 4.19Å; N372-F506 PolarHBondContact ND2-O 3.16Å; F506-Y508 AromaticContact CD1-CD2 3.96Å; F506-Y508 HydrophobicContact CD1-CD2 3.96Å; F506-Y508 AromaticContact CD1-CE2 3.8Å; F506-Y508 HydrophobicContact CD1-CE2 3.8Å; F506-Y508 WeakPolarHBondContact CD1-O 3.06Å; F506-Y508 HydrophobicContact CE1-CD2 4.04Å; F506-Y508 HydrophobicContact CE1-CE1 4.48Å; F506-Y508 AromaticContact CE1-CE2 3.39Å; F506-Y508 HydrophobicContact CE1-CE2 3.39Å; F506-Y508 AromaticContact CE1-CZ 3.64Å; F506-Y508 PolarHBondContact O-N 3.44Å; F506-I520 HydrophobicContact CZ-CG2 4.36Å
507	P	97.9	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-66.6	-17.1	-178.1	24.4	-35	0	0	0	114.4	I366 V368 L369 S523 Y526	I366-P507 HydrophobicContact CD1-CG 4.26Å; I366-P507 HydrophobicContact CG1-CG 4.46Å; I366-P507 HydrophobicContact CG2-CB 4.44Å; I366-P507 HydrophobicContact CG2-CG 4.05Å; V368-P507 HydrophobicContact CG2-CB 4.23Å; L369-P507 PolarHBondContact N-O 2.89Å; P507-S523 VanDerWaalsContact CG-OG 3.32Å; P507-S523 WeakPolarHBondContact CG-OG 3.37Å; P507-Y526 HydrophobicContact CB-CE2 4.13Å; P507-Y526 HydrophobicContact CG-CD2 4.42Å; P507-Y526 HydrophobicContact CG-CE2 4.33Å
508	Y	98.4	Very high	96.9	Very high	3 Å²	3	21 Å²	21	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-153	165	-179.7	43.5	-103	0	0	0	110.6	I366 L369 N372 F506 P511 Y519 I520 S523 V571 L574	I366-Y508 HydrophobicContact CD1-CE1 3.89Å; L369-Y508 HydrophobicContact CD1-CD1 4.19Å; N372-Y508 WeakPolarHBondContact OD1-CA 3.48Å; F506-Y508 AromaticContact CD1-CD2 3.96Å; F506-Y508 HydrophobicContact CD1-CD2 3.96Å; F506-Y508 AromaticContact CD1-CE2 3.8Å; F506-Y508 HydrophobicContact CD1-CE2 3.8Å; F506-Y508 WeakPolarHBondContact CD1-O 3.06Å; F506-Y508 HydrophobicContact CE1-CD2 4.04Å; F506-Y508 HydrophobicContact CE1-CE1 4.48Å; F506-Y508 AromaticContact CE1-CE2 3.39Å; F506-Y508 HydrophobicContact CE1-CE2 3.39Å; F506-Y508 AromaticContact CE1-CZ 3.64Å; F506-Y508 PolarHBondContact O-N 3.44Å; Y508-P511 HydrophobicContact CD2-CB 4.22Å; Y508-P511 HydrophobicContact CE2-CB 3.7Å; Y508-P511 HydrophobicContact CE2-CG 3.8Å; Y508-Y519 PolarHBondContact OH-O 3.43Å; Y508-I520 WeakPolarHBondContact OH-CA 3.35Å; Y508-S523 PolarHBondContact OH-OG 3.34Å; Y508-V571 HydrophobicContact CD1-CG1 3.73Å; Y508-V571 HydrophobicContact CE1-CG1 3.83Å; Y508-L574 HydrophobicContact CD1-CD1 4.37Å; Y508-L574 HydrophobicContact CD2-CD1 4.39Å; Y508-L574 HydrophobicContact CE1-CD1 3.88Å; Y508-L574 HydrophobicContact CE2-CD1 3.91Å
509	P	98.4	Very high	96.6	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.045	12%	0.12	C	C	.	.	S	Bend	trans	-65.8	173.5	173.3	-17.6	34.8	0	0	0	111.5	V371 N372 P511 V545 L575 L581 L583	V371-P509 HydrophobicContact CG1-CG 4.33Å; N372-P509 VanDerWaalsContact OD1-CD 3.24Å; N372-P509 WeakPolarHBondContact OD1-CD 3.32Å; P509-P511 WeakPolarHBondContact O-CD 3.12Å; P509-V545 HydrophobicContact CB-CG2 3.92Å; P509-V545 HydrophobicContact CG-CG2 3.44Å; P509-V545 VanDerWaalsContact CG-CG2 3.44Å; P509-L575 HydrophobicContact CB-CD1 4.33Å; P509-L575 HydrophobicContact CG-CD1 3.62Å; P509-L581 HydrophobicContact CB-CB 4.03Å; P509-L581 HydrophobicContact CB-CD1 4.27Å; P509-L583 HydrophobicContact CB-CD2 4.43Å; P509-L583 HydrophobicContact CG-CD2 3.68Å
510	A	98.5	Very high	96.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.114	C	C	.	.	S	Bend	trans	-46.2	113.9	-176.3	0	0	0	0	0	113.1	R236 L237 F272 L581	R236-A510 HydrophobicContact CB-CB 3.9Å; R236-A510 WeakPolarHBondContact CD-O 3.33Å; R236-A510 PolarHBondContact NH1-O 2.95Å; L237-A510 WeakPolarHBondContact O-CB 3.43Å; F272-A510 HydrophobicContact CB-CB 3.95Å; F272-A510 HydrophobicContact CD1-CB 4.22Å; F272-A510 HydrophobicContact CD2-CB 3.89Å; F272-A510 HydrophobicContact CE2-CB 4.49Å; F272-A510 HydrophobicContact CG-CB 3.77Å; A510-L581 WeakPolarHBondContact O-CD1 3.33Å
511	P	98.2	Very high	96.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.			trans	-73.7	164.8	-176.6	32.1	-37.5	0	0	0	111.1	R236 L237 Y508 P509 A515 I520 L574	R236-P511 VanDerWaalsContact CA-O 3.29Å; R236-P511 WeakPolarHBondContact CA-O 3.14Å; L237-P511 HydrophobicContact CB-CG 4.48Å; L237-P511 HydrophobicContact CD1-CG 3.77Å; L237-P511 HydrophobicContact CG-CG 4.16Å; L237-P511 PolarHBondContact N-O 3.47Å; Y508-P511 HydrophobicContact CD2-CB 4.22Å; Y508-P511 HydrophobicContact CE2-CB 3.7Å; Y508-P511 HydrophobicContact CE2-CG 3.8Å; P509-P511 WeakPolarHBondContact O-CD 3.12Å; P511-A515 HydrophobicContact CB-CB 4.27Å; P511-I520 HydrophobicContact CG-CD1 4.4Å; P511-I520 HydrophobicContact CG-CG1 4.3Å; P511-L574 HydrophobicContact CB-CD1 4.3Å
512	P	97.9	Very high	95.8	Very high	25 Å²	25	23.2 Å²	23.2	16%	0.162	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-54.2	145.1	172.1	-23.7	34.7	0	0	0	111.9	S235 R236 D514 A515	S235-P512 CarbonylContact O-C 3.54Å; S235-P512 WeakPolarHBondContact O-CA 3.4Å; R236-P512 VanDerWaalsContact NH1-CD 3.25Å; P512-D514 VanDerWaalsContact CB-OD1 3.27Å; P512-D514 WeakPolarHBondContact CB-OD1 3.36Å; P512-D514 PolarHBondContact O-N 2.98Å; P512-A515 HydrophobicContact CB-CB 4.33Å; P512-A515 WeakPolarHBondContact O-CB 3.42Å; P512-A515 PolarHBondContact O-N 2.8Å
513	K	94.8	Very high	95.7	Very high	110 Å²	110	23.2 Å²	23.2	48%	0.478	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.1	-176.5	69.8	-179.2	178.5	-175.2	0	114.4	S235 L237 H429	S235-K513 WeakPolarHBondContact O-CG 2.91Å; S235-K513 PolarHBondContact O-N 3.11Å; L237-K513 HydrophobicContact CD2-CB 3.95Å; H429-K513 PolarHBondContact NE2-O 3.36Å
514	D	93.8	Very high	95.5	Very high	135 Å²	135	24.6 Å²	24.6	72%	0.722	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	3.3	175	64.9	-21.7	0	0	0	112.5	P512	P512-D514 VanDerWaalsContact CB-OD1 3.27Å; P512-D514 WeakPolarHBondContact CB-OD1 3.36Å; P512-D514 PolarHBondContact O-N 2.98Å
515	A	95.5	Very high	95.5	Very high	6 Å²	6	24.6 Å²	24.6	5%	0.05	13%	0.131	C	C	.	.			trans	-58.6	129.6	178.6	0	0	0	0	0	110.5	H429 P511 P512 Q517 I520 L574	H429-A515 PolarHBondContact CE1-O 3.11Å; P511-A515 HydrophobicContact CB-CB 4.27Å; P512-A515 HydrophobicContact CB-CB 4.33Å; P512-A515 WeakPolarHBondContact O-CB 3.42Å; P512-A515 PolarHBondContact O-N 2.8Å; A515-Q517 PolarHBondContact O-N 3.49Å; A515-I520 HydrophobicContact CB-CD1 4.04Å; A515-I520 WeakPolarHBondContact O-CD1 3.15Å; A515-L574 HydrophobicContact CB-CD2 3.86Å
516	P	92.8	Very high	95.4	Very high	71 Å²	71	24.5 Å²	24.5	46%	0.461	13%	0.131	S	C	.	.			trans	-58.1	134.1	-179.9	-28.2	35.6	0	0	0	112.5	I518 Y519	P516-I518 HydrophobicContact CB-CG2 4.06Å; P516-I518 PolarHBondContact O-N 3.41Å; P516-Y519 HydrophobicContact CB-CD2 3.9Å; P516-Y519 HydrophobicContact CB-CE2 4Å; P516-Y519 HydrophobicContact CG-CD2 4.17Å; P516-Y519 HydrophobicContact CG-CE2 4.04Å; P516-Y519 PolarHBondContact O-N 2.9Å
517	Q	91.2	Very high	95.4	Very high	15 Å²	15	24.4 Å²	24.4	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-19.3	-176	-176.4	61.8	10	0	0	114	H429 L432 A515 Y519 I520 S521	H429-Q517 HydrophobicContact CB-CG 4.34Å; H429-Q517 PolarHBondContact ND1-OE1 3.31Å; L432-Q517 HydrophobicContact CB-CB 4.02Å; L432-Q517 HydrophobicContact CB-CG 4.07Å; L432-Q517 HydrophobicContact CD2-CB 3.6Å; L432-Q517 HydrophobicContact CD2-CG 3.74Å; L432-Q517 HydrophobicContact CG-CB 4.44Å; L432-Q517 HydrophobicContact CG-CG 4.44Å; A515-Q517 PolarHBondContact O-N 3.49Å; Q517-Y519 PolarHBondContact O-N 2.98Å; Q517-I520 PolarHBondContact O-N 3.15Å; Q517-I520 VanDerWaalsContact O-N 3.11Å; Q517-S521 WeakPolarHBondContact CG-OG 3.29Å; Q517-S521 PolarHBondContact NE2-OG 2.85Å; Q517-S521 PolarHBondContact O-N 3.37Å
518	I	90.6	Very high	95.5	Very high	41 Å²	41	24.4 Å²	24.4	21%	0.21	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-23.9	174.5	-165.7	166.1	0	0	0	113.5	L432 I455 P516 P522 Y567	L432-I518 HydrophobicContact CD2-CB 4.45Å; I455-I518 HydrophobicContact CD1-CD1 3.97Å; I455-I518 HydrophobicContact CG2-CD1 3.85Å; P516-I518 HydrophobicContact CB-CG2 4.06Å; P516-I518 PolarHBondContact O-N 3.41Å; I518-P522 VanDerWaalsContact O-CD 3.24Å; I518-P522 WeakPolarHBondContact O-CD 3.32Å; I518-P522 WeakPolarHBondContact O-CG 3.11Å; I518-Y567 HydrophobicContact CG1-CE2 4.44Å; I518-Y567 PolarHBondContact O-OH 3.16Å
519	Y	92.8	Very high	95.5	Very high	39 Å²	39	24.3 Å²	24.3	15%	0.153	13%	0.13	C	C	.	.	H	α-helix	trans	-91.3	-14.1	175.3	-54.9	-60.8	0	0	0	112.7	Y508 P516 Q517 S523 Y567 K570 V571	Y508-Y519 PolarHBondContact OH-O 3.43Å; P516-Y519 HydrophobicContact CB-CD2 3.9Å; P516-Y519 HydrophobicContact CB-CE2 4Å; P516-Y519 HydrophobicContact CG-CD2 4.17Å; P516-Y519 HydrophobicContact CG-CE2 4.04Å; P516-Y519 PolarHBondContact O-N 2.9Å; Q517-Y519 PolarHBondContact O-N 2.98Å; Y519-S523 PolarHBondContact O-OG 2.96Å; Y519-Y567 HydrophobicContact CD1-CD2 4.13Å; Y519-Y567 HydrophobicContact CD1-CE1 4.26Å; Y519-Y567 AromaticContact CD1-CE2 3.66Å; Y519-Y567 HydrophobicContact CD1-CE2 3.66Å; Y519-Y567 AromaticContact CD1-CZ 3.74Å; Y519-Y567 AromaticContact CE1-CD2 3.77Å; Y519-Y567 HydrophobicContact CE1-CD2 3.77Å; Y519-Y567 AromaticContact CE1-CE2 3.73Å; Y519-Y567 HydrophobicContact CE1-CE2 3.73Å; Y519-Y567 HydrophobicContact CE1-CG 4.3Å; Y519-K570 HydrophobicContact CD1-CB 4.46Å; Y519-K570 HydrophobicContact CE1-CB 3.79Å; Y519-K570 HydrophobicContact CE2-CB 4.17Å; Y519-V571 HydrophobicContact CD1-CG2 3.85Å; Y519-V571 HydrophobicContact CG-CG2 4.48Å
520	I	93.5	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-102.8	-47.3	-174.5	-62	164.5	0	0	0	111.7	L218 L237 H429 F506 Y508 P511 A515 Q517 S523	L218-I520 HydrophobicContact CD1-CG2 3.75Å; L218-I520 HydrophobicContact CG-CG2 4.47Å; L237-I520 HydrophobicContact CD1-CD1 3.79Å; H429-I520 VanDerWaalsContact CE1-CD1 3.4Å; H429-I520 WeakPolarHBondContact CE1-CD1 3.41Å; F506-I520 HydrophobicContact CZ-CG2 4.36Å; Y508-I520 WeakPolarHBondContact OH-CA 3.35Å; P511-I520 HydrophobicContact CG-CD1 4.4Å; P511-I520 HydrophobicContact CG-CG1 4.3Å; A515-I520 HydrophobicContact CB-CD1 4.04Å; A515-I520 WeakPolarHBondContact O-CD1 3.15Å; Q517-I520 PolarHBondContact O-N 3.15Å; Q517-I520 VanDerWaalsContact O-N 3.11Å; I520-S523 WeakPolarHBondContact O-CB 3.38Å; I520-S523 PolarHBondContact O-N 3.04Å; I520-S523 VanDerWaalsContact O-N 3.11Å; I520-S523 PolarHBondContact O-OG 3.39Å
521	S	91.8	Very high	95.5	Very high	25 Å²	25	24.1 Å²	24.1	18%	0.175	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-54.7	-44.5	-177.9	-80.3	0	0	0	0	113.5	Q517 S523 I524	Q517-S521 WeakPolarHBondContact CG-OG 3.29Å; Q517-S521 PolarHBondContact NE2-OG 2.85Å; Q517-S521 PolarHBondContact O-N 3.37Å; S521-S523 PolarHBondContact O-N 3.23Å; S521-I524 WeakPolarHBondContact O-CG1 3.42Å; S521-I524 PolarHBondContact O-N 2.91Å
522	P	93	Very high	95.5	Very high	7 Å²	7	24.2 Å²	24.2	5%	0.045	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-64.8	-25.6	-179.2	-24.5	37.8	0	0	0	113.4	I366 I518 I524 I525	I366-P522 HydrophobicContact CB-CB 4.47Å; I366-P522 HydrophobicContact CG2-CB 4.36Å; I518-P522 VanDerWaalsContact O-CD 3.24Å; I518-P522 WeakPolarHBondContact O-CD 3.32Å; I518-P522 WeakPolarHBondContact O-CG 3.11Å; P522-I524 PolarHBondContact O-N 2.82Å; P522-I525 VanDerWaalsContact O-CG2 3.25Å; P522-I525 WeakPolarHBondContact O-CG2 3.47Å; P522-I525 PolarHBondContact O-N 2.82Å
523	S	95.8	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-65	-21	-177	-55.5	0	0	0	0	114.3	P507 Y508 Y519 I520 S521 I525 Y526	P507-S523 VanDerWaalsContact CG-OG 3.32Å; P507-S523 WeakPolarHBondContact CG-OG 3.37Å; Y508-S523 PolarHBondContact OH-OG 3.34Å; Y519-S523 PolarHBondContact O-OG 2.96Å; I520-S523 WeakPolarHBondContact O-CB 3.38Å; I520-S523 PolarHBondContact O-N 3.04Å; I520-S523 VanDerWaalsContact O-N 3.11Å; I520-S523 PolarHBondContact O-OG 3.39Å; S521-S523 PolarHBondContact O-N 3.23Å; S523-I525 PolarHBondContact O-N 2.92Å; S523-I525 VanDerWaalsContact O-N 3.07Å; S523-Y526 WeakPolarHBondContact O-CD2 3.28Å; S523-Y526 PolarHBondContact O-N 3.3Å
524	I	96.1	Very high	95.7	Very high	28 Å²	28	19 Å²	19	14%	0.144	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-62.5	-17.8	-179.6	73.2	-179	0	0	0	112.6	L218 F402 L406 S521 P522 Y526 T527 F528	L218-I524 HydrophobicContact CD1-CG2 4.27Å; F402-I524 HydrophobicContact CE2-CD1 4.3Å; F402-I524 HydrophobicContact CE2-CG1 3.9Å; F402-I524 HydrophobicContact CZ-CG1 4.31Å; L406-I524 HydrophobicContact CD2-CD1 4.43Å; S521-I524 WeakPolarHBondContact O-CG1 3.42Å; S521-I524 PolarHBondContact O-N 2.91Å; P522-I524 PolarHBondContact O-N 2.82Å; I524-Y526 PolarHBondContact O-N 3.42Å; I524-T527 PolarHBondContact O-N 2.69Å; I524-T527 VanDerWaalsContact O-N 3.09Å; I524-T527 PolarHBondContact O-OG1 2.87Å; I524-T527 VanDerWaalsContact O-OG1 3.05Å; I524-F528 HydrophobicContact CG1-CB 4.35Å; I524-F528 WeakPolarHBondContact O-CB 3.34Å; I524-F528 PolarHBondContact O-N 3.44Å
525	I	96.6	Very high	95.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-54.2	-35.1	179.1	-175.8	49.7	0	0	0	112.7	F360 L365 F402 P522 S523 T527 F528 L529	F360-I525 HydrophobicContact CE2-CG1 4.05Å; F360-I525 HydrophobicContact CE2-CG2 4.01Å; F360-I525 HydrophobicContact CZ-CG1 4.4Å; L365-I525 HydrophobicContact CD1-CG1 4.28Å; L365-I525 HydrophobicContact CD2-CG1 4.22Å; L365-I525 HydrophobicContact CD2-CG2 4.41Å; F402-I525 HydrophobicContact CB-CD1 3.52Å; F402-I525 HydrophobicContact CB-CG1 4.11Å; F402-I525 HydrophobicContact CD1-CB 4.48Å; F402-I525 HydrophobicContact CD2-CB 4Å; F402-I525 HydrophobicContact CD2-CD1 3.72Å; F402-I525 HydrophobicContact CD2-CG1 4.21Å; F402-I525 HydrophobicContact CE2-CB 4.15Å; F402-I525 HydrophobicContact CG-CB 4.17Å; F402-I525 HydrophobicContact CG-CD1 3.77Å; F402-I525 HydrophobicContact CG-CG1 4.09Å; F402-I525 HydrophobicContact CZ-CB 4.45Å; P522-I525 VanDerWaalsContact O-CG2 3.25Å; P522-I525 WeakPolarHBondContact O-CG2 3.47Å; P522-I525 PolarHBondContact O-N 2.82Å; S523-I525 PolarHBondContact O-N 2.92Å; S523-I525 VanDerWaalsContact O-N 3.07Å; I525-T527 VanDerWaalsContact C-N 3.26Å; I525-T527 PolarHBondContact O-N 3.5Å; I525-F528 PolarHBondContact O-N 2.75Å; I525-L529 HydrophobicContact CD1-CB 4.25Å; I525-L529 WeakPolarHBondContact O-CB 3.26Å; I525-L529 PolarHBondContact O-N 2.89Å; I525-L529 VanDerWaalsContact O-N 3.07Å
526	Y	98.3	Very high	96.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-30.5	-179.7	-72.6	-87.4	0	0	0	112.9	Y357 N359 F360 I366 V368 P504 V505 P507 S523 I524 Y530 Q586	Y357-Y526 HydrophobicContact CE2-CE1 4.41Å; N359-Y526 PolarHBondContact OD1-OH 3.17Å; N359-Y526 VanDerWaalsContact OD1-OH 3.09Å; F360-Y526 HydrophobicContact CD2-CD1 4.18Å; F360-Y526 AromaticContact CD2-CE1 3.51Å; F360-Y526 HydrophobicContact CD2-CE1 3.51Å; F360-Y526 HydrophobicContact CD2-CE2 4.06Å; F360-Y526 AromaticContact CD2-CZ 3.42Å; F360-Y526 VanDerWaalsContact CD2-CZ 3.42Å; F360-Y526 WeakPolarHBondContact CD2-OH 3.28Å; F360-Y526 AromaticContact CE2-CD1 3.56Å; F360-Y526 HydrophobicContact CE2-CD1 3.56Å; F360-Y526 HydrophobicContact CE2-CD2 4.12Å; F360-Y526 AromaticContact CE2-CE1 3.38Å; F360-Y526 HydrophobicContact CE2-CE1 3.38Å; F360-Y526 AromaticContact CE2-CE2 3.97Å; F360-Y526 HydrophobicContact CE2-CE2 3.97Å; F360-Y526 AromaticContact CE2-CG 3.92Å; F360-Y526 HydrophobicContact CE2-CG 3.92Å; F360-Y526 AromaticContact CE2-CZ 3.59Å; F360-Y526 HydrophobicContact CG-CE1 4.39Å; F360-Y526 HydrophobicContact CZ-CD1 4.13Å; F360-Y526 HydrophobicContact CZ-CE1 4.2Å; I366-Y526 HydrophobicContact CG2-CE2 3.97Å; I366-Y526 WeakPolarHBondContact O-CE2 3.39Å; I366-Y526 PolarHBondContact O-OH 3.4Å; V368-Y526 HydrophobicContact CG2-CD1 4.3Å; V368-Y526 HydrophobicContact CG2-CE1 3.36Å; V368-Y526 HydrophobicContact CG2-CE2 4.13Å; V368-Y526 WeakPolarHBondContact CG2-OH 3.38Å; P504-Y526 HydrophobicContact CB-CD1 4.21Å; V505-Y526 WeakPolarHBondContact O-CB 3.43Å; P507-Y526 HydrophobicContact CB-CE2 4.13Å; P507-Y526 HydrophobicContact CG-CD2 4.42Å; P507-Y526 HydrophobicContact CG-CE2 4.33Å; S523-Y526 WeakPolarHBondContact O-CD2 3.28Å; S523-Y526 PolarHBondContact O-N 3.3Å; I524-Y526 PolarHBondContact O-N 3.42Å; Y526-Y530 WeakPolarHBondContact O-CD2 3.47Å; Y526-Y530 VanDerWaalsContact O-CE2 3.31Å; Y526-Y530 WeakPolarHBondContact O-CE2 3.45Å; Y526-Q586 PolarHBondContact O-NE2 3.05Å
527	T	98.7	Very high	96.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-97.5	-39.8	172.7	43.4	0	0	0	0	112.6	A263 G264 R267 I268 V505 I524 I525 L529 Y530 N531	A263-T527 PolarHBondContact O-OG1 3.07Å; G264-T527 VanDerWaalsContact CA-CB 3.48Å; G264-T527 WeakPolarHBondContact CA-OG1 3.44Å; R267-T527 HydrophobicContact CB-CG2 3.98Å; R267-T527 PolarHBondContact NH1-O 3Å; R267-T527 PolarHBondContact NH2-O 3.29Å; I268-T527 HydrophobicContact CG1-CG2 4.04Å; V505-T527 HydrophobicContact CG1-CG2 3.83Å; V505-T527 WeakPolarHBondContact O-CG2 3.35Å; I524-T527 PolarHBondContact O-N 2.69Å; I524-T527 VanDerWaalsContact O-N 3.09Å; I524-T527 PolarHBondContact O-OG1 2.87Å; I524-T527 VanDerWaalsContact O-OG1 3.05Å; I525-T527 VanDerWaalsContact C-N 3.26Å; I525-T527 PolarHBondContact O-N 3.5Å; T527-L529 VanDerWaalsContact C-N 3.32Å; T527-L529 PolarHBondContact O-N 3.09Å; T527-Y530 PolarHBondContact O-N 2.53Å; T527-Y530 VanDerWaalsContact O-N 3.17Å; T527-N531 PolarHBondContact O-OD1 3.09Å; T527-N531 VanDerWaalsContact O-OD1 3.08Å
528	F	98.4	Very high	96.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.7	-30.8	-171.3	-174.2	-141.6	0	0	0	113	I262 A263 I301 F402 G405 L406 L409 I524 I525 Y530 N531 I532	I262-F528 WeakPolarHBondContact O-CD2 3.33Å; A263-F528 HydrophobicContact CB-CB 4.3Å; A263-F528 HydrophobicContact CB-CD2 3.76Å; A263-F528 HydrophobicContact CB-CE2 4.36Å; A263-F528 HydrophobicContact CB-CG 4.18Å; I301-F528 HydrophobicContact CD1-CE2 3.93Å; I301-F528 HydrophobicContact CD1-CZ 3.77Å; I301-F528 HydrophobicContact CG2-CE2 4.37Å; F402-F528 HydrophobicContact CD2-CD1 4.15Å; F402-F528 HydrophobicContact CE2-CD1 4.27Å; G405-F528 VanDerWaalsContact C-CE1 3.4Å; G405-F528 VanDerWaalsContact C-CZ 3.46Å; G405-F528 WeakPolarHBondContact O-CZ 3.34Å; L406-F528 HydrophobicContact CD2-CE1 4.37Å; L406-F528 HydrophobicContact CG-CE1 4.44Å; L409-F528 HydrophobicContact CB-CZ 4.29Å; L409-F528 HydrophobicContact CD2-CZ 4.37Å; I524-F528 HydrophobicContact CG1-CB 4.35Å; I524-F528 WeakPolarHBondContact O-CB 3.34Å; I524-F528 PolarHBondContact O-N 3.44Å; I525-F528 PolarHBondContact O-N 2.75Å; F528-Y530 PolarHBondContact O-N 3.19Å; F528-N531 WeakPolarHBondContact CA-OD1 3.32Å; F528-N531 HydrophobicContact CD2-CB 3.96Å; F528-N531 HydrophobicContact CE2-CB 4.38Å; F528-N531 WeakPolarHBondContact O-CB 3.25Å; F528-N531 PolarHBondContact O-N 2.91Å; F528-I532 HydrophobicContact CD1-CD1 3.88Å; F528-I532 HydrophobicContact CD1-CG1 4.45Å; F528-I532 HydrophobicContact CD2-CG1 4.3Å; F528-I532 HydrophobicContact CE1-CD1 3.94Å; F528-I532 HydrophobicContact CE1-CG1 4.26Å; F528-I532 HydrophobicContact CE2-CG1 4.09Å; F528-I532 HydrophobicContact CG-CD1 4.18Å; F528-I532 HydrophobicContact CG-CG1 4.46Å; F528-I532 HydrophobicContact CZ-CD1 4.27Å; F528-I532 HydrophobicContact CZ-CG1 4.08Å; F528-I532 WeakPolarHBondContact O-CG1 3.27Å; F528-I532 PolarHBondContact O-N 3Å
529	L	98.7	Very high	97.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-48	-44.6	171	177.6	59.3	0	0	0	111.5	F360 V395 A401 Y484 F488 I525 T527 N531 I532 L533	F360-L529 HydrophobicContact CE1-CD2 4.02Å; F360-L529 HydrophobicContact CZ-CD2 4.08Å; V395-L529 HydrophobicContact CG1-CD2 3.73Å; A401-L529 HydrophobicContact CB-CD1 3.71Å; Y484-L529 HydrophobicContact CE1-CD1 3.83Å; F488-L529 HydrophobicContact CE2-CD2 4.3Å; I525-L529 HydrophobicContact CD1-CB 4.25Å; I525-L529 WeakPolarHBondContact O-CB 3.26Å; I525-L529 PolarHBondContact O-N 2.89Å; I525-L529 VanDerWaalsContact O-N 3.07Å; T527-L529 VanDerWaalsContact C-N 3.32Å; T527-L529 PolarHBondContact O-N 3.09Å; L529-N531 PolarHBondContact O-N 3.46Å; L529-I532 WeakPolarHBondContact O-CB 3.48Å; L529-I532 PolarHBondContact O-N 3.15Å; L529-L533 HydrophobicContact CD1-CD1 3.95Å; L529-L533 HydrophobicContact CD1-CG 4.28Å; L529-L533 HydrophobicContact CG-CD1 3.91Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.3Å; L529-L533 PolarHBondContact O-N 3.36Å
530	Y	98.8	Very high	97.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-79.2	-16	-177.2	-53.8	-61.6	0	0	0	114	Y357 F488 L501 C503 Y526 T527 F528 L533 D534 Y535 A537 V588	Y357-Y530 WeakPolarHBondContact CE1-OH 3.18Å; Y357-Y530 PolarHBondContact OH-OH 3.14Å; F488-Y530 HydrophobicContact CZ-CE1 4.25Å; L501-Y530 HydrophobicContact CD2-CE1 4.23Å; L501-Y530 WeakPolarHBondContact CD2-OH 3.28Å; C503-Y530 PolarHBondContact SG-OH 3.21Å; C503-Y530 VanDerWaalsContact SG-OH 3.34Å; Y526-Y530 WeakPolarHBondContact O-CD2 3.47Å; Y526-Y530 VanDerWaalsContact O-CE2 3.31Å; Y526-Y530 WeakPolarHBondContact O-CE2 3.45Å; T527-Y530 PolarHBondContact O-N 2.53Å; T527-Y530 VanDerWaalsContact O-N 3.17Å; F528-Y530 PolarHBondContact O-N 3.19Å; Y530-L533 HydrophobicContact CD1-CD1 4.08Å; Y530-L533 HydrophobicContact CE1-CD1 4.42Å; Y530-D534 PolarHBondContact O-N 3.02Å; Y530-Y535 PolarHBondContact O-N 2.63Å; Y530-A537 HydrophobicContact CG-CB 4.48Å; Y530-V588 HydrophobicContact CD1-CB 4.28Å; Y530-V588 HydrophobicContact CD1-CG1 3.46Å; Y530-V588 VanDerWaalsContact CD1-CG1 3.46Å; Y530-V588 HydrophobicContact CD1-CG2 3.92Å; Y530-V588 HydrophobicContact CD2-CG2 3.77Å; Y530-V588 HydrophobicContact CE1-CB 4.16Å; Y530-V588 HydrophobicContact CE1-CG1 3.68Å; Y530-V588 HydrophobicContact CE1-CG2 3.79Å; Y530-V588 HydrophobicContact CE2-CG2 3.63Å; Y530-V588 HydrophobicContact CG-CG1 4Å; Y530-V588 HydrophobicContact CG-CG2 3.88Å
531	N	98.6	Very high	97.6	Very high	5 Å²	5	6.2 Å²	6.2	3%	0.027	4%	0.035	C	C	.	.	H	α-helix	trans	-76.7	-41.3	164.8	-57.8	87	0	0	0	110.9	D261 I262 A263 R267 K279 I301 T527 F528 L529 L533 D534	D261-N531 PolarHBondContact OD1-ND2 3.05Å; I262-N531 WeakPolarHBondContact CA-ND2 3.27Å; I262-N531 VanDerWaalsContact O-CB 3.29Å; I262-N531 WeakPolarHBondContact O-CB 3.42Å; I262-N531 PolarHBondContact O-ND2 3.4Å; A263-N531 WeakPolarHBondContact CA-OD1 3.36Å; R267-N531 PolarHBondContact NH2-OD1 2.97Å; K279-N531 VanDerWaalsContact CD-ND2 3.29Å; K279-N531 WeakPolarHBondContact CD-ND2 3.37Å; I301-N531 HydrophobicContact CG2-CB 4.33Å; T527-N531 PolarHBondContact O-OD1 3.09Å; T527-N531 VanDerWaalsContact O-OD1 3.08Å; F528-N531 WeakPolarHBondContact CA-OD1 3.32Å; F528-N531 HydrophobicContact CD2-CB 3.96Å; F528-N531 HydrophobicContact CE2-CB 4.38Å; F528-N531 WeakPolarHBondContact O-CB 3.25Å; F528-N531 PolarHBondContact O-N 2.91Å; L529-N531 PolarHBondContact O-N 3.46Å; N531-L533 VanDerWaalsContact C-N 3.26Å; N531-L533 PolarHBondContact O-N 2.89Å; N531-D534 PolarHBondContact O-N 2.92Å; N531-D534 VanDerWaalsContact O-N 3.15Å
532	I	98.5	Very high	97.9	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-60.1	-41.3	176.6	-64.1	156.1	0	0	0	110	I301 A401 I481 R485 F528 L529 D534	I301-I532 HydrophobicContact CD1-CG1 4.03Å; A401-I532 WeakPolarHBondContact O-CD1 3.44Å; I481-I532 HydrophobicContact CG2-CG2 4.24Å; R485-I532 VanDerWaalsContact CZ-O 3.22Å; R485-I532 PolarHBondContact NE-O 3.44Å; R485-I532 PolarHBondContact NH2-O 3.42Å; F528-I532 HydrophobicContact CD1-CD1 3.88Å; F528-I532 HydrophobicContact CD1-CG1 4.45Å; F528-I532 HydrophobicContact CD2-CG1 4.3Å; F528-I532 HydrophobicContact CE1-CD1 3.94Å; F528-I532 HydrophobicContact CE1-CG1 4.26Å; F528-I532 HydrophobicContact CE2-CG1 4.09Å; F528-I532 HydrophobicContact CG-CD1 4.18Å; F528-I532 HydrophobicContact CG-CG1 4.46Å; F528-I532 HydrophobicContact CZ-CD1 4.27Å; F528-I532 HydrophobicContact CZ-CG1 4.08Å; F528-I532 WeakPolarHBondContact O-CG1 3.27Å; F528-I532 PolarHBondContact O-N 3Å; L529-I532 WeakPolarHBondContact O-CB 3.48Å; L529-I532 PolarHBondContact O-N 3.15Å; I532-D534 VanDerWaalsContact C-N 3.35Å
533	L	98.6	Very high	97.9	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.021	4%	0.035	C	C	.	.	H	α-helix	trans	-77.3	-18.6	178.4	-65.2	169.3	0	0	0	114.2	Y484 R485 F488 L529 Y530 N531 Y535	Y484-L533 HydrophobicContact CD1-CD2 4.02Å; Y484-L533 HydrophobicContact CE1-CD2 3.84Å; Y484-L533 HydrophobicContact CE1-CG 4.5Å; R485-L533 HydrophobicContact CG-CD2 4.17Å; F488-L533 HydrophobicContact CB-CD2 3.58Å; F488-L533 HydrophobicContact CD1-CD1 3.61Å; F488-L533 HydrophobicContact CD1-CD2 3.98Å; F488-L533 HydrophobicContact CD1-CG 4.4Å; F488-L533 HydrophobicContact CD2-CD1 3.61Å; F488-L533 HydrophobicContact CD2-CD2 4.16Å; F488-L533 HydrophobicContact CE1-CD1 3.56Å; F488-L533 HydrophobicContact CE2-CD1 3.57Å; F488-L533 HydrophobicContact CG-CD1 3.64Å; F488-L533 HydrophobicContact CG-CD2 3.64Å; F488-L533 HydrophobicContact CG-CG 4.29Å; F488-L533 HydrophobicContact CZ-CD1 3.56Å; L529-L533 HydrophobicContact CD1-CD1 3.95Å; L529-L533 HydrophobicContact CD1-CG 4.28Å; L529-L533 HydrophobicContact CG-CD1 3.91Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.3Å; L529-L533 PolarHBondContact O-N 3.36Å; Y530-L533 HydrophobicContact CD1-CD1 4.08Å; Y530-L533 HydrophobicContact CE1-CD1 4.42Å; N531-L533 VanDerWaalsContact C-N 3.26Å; N531-L533 PolarHBondContact O-N 2.89Å; L533-Y535 VanDerWaalsContact C-N 3.3Å; L533-Y535 HydrophobicContact CB-CD1 3.65Å; L533-Y535 HydrophobicContact CB-CE1 4.14Å; L533-Y535 HydrophobicContact CB-CG 4.09Å; L533-Y535 WeakPolarHBondContact O-CD1 3.29Å
534	D	98.1	Very high	98	Very high	23 Å²	23	9 Å²	9	12%	0.123	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	35.9	-168.5	-160.9	25	0	0	0	114	S282 Y530 N531 I532	S282-D534 WeakPolarHBondContact CB-OD1 3.41Å; S282-D534 PolarHBondContact N-OD1 3.48Å; S282-D534 VanDerWaalsContact OG-CG 3.23Å; S282-D534 PolarHBondContact OG-OD1 2.97Å; S282-D534 PolarHBondContact OG-OD2 3.17Å; Y530-D534 PolarHBondContact O-N 3.02Å; N531-D534 PolarHBondContact O-N 2.92Å; N531-D534 VanDerWaalsContact O-N 3.15Å; I532-D534 VanDerWaalsContact C-N 3.35Å
535	Y	98.7	Very high	98.1	Very high	18 Å²	18	7.8 Å²	7.8	7%	0.071	4%	0.043	C	C	.	.			trans	-92.2	132.8	177.9	-83.5	36.9	0	0	0	108.8	K279 F488 W492 Y530 L533 A537 V588 G589 K590 P591	K279-Y535 WeakPolarHBondContact CE-O 3.44Å; K279-Y535 PolarHBondContact NZ-O 2.76Å; F488-Y535 HydrophobicContact CD1-CE2 4.15Å; F488-Y535 HydrophobicContact CE1-CD2 4.24Å; F488-Y535 AromaticContact CE1-CE2 3.77Å; F488-Y535 HydrophobicContact CE1-CE2 3.77Å; W492-Y535 HydrophobicContact CD2-CE2 4.14Å; W492-Y535 HydrophobicContact CE3-CD2 4.39Å; W492-Y535 AromaticContact CE3-CE2 3.78Å; W492-Y535 HydrophobicContact CE3-CE2 3.78Å; W492-Y535 HydrophobicContact CH2-CD2 4.38Å; W492-Y535 HydrophobicContact CH2-CE2 4.32Å; W492-Y535 HydrophobicContact CZ3-CD2 4.02Å; W492-Y535 AromaticContact CZ3-CE2 3.85Å; W492-Y535 HydrophobicContact CZ3-CE2 3.85Å; Y530-Y535 PolarHBondContact O-N 2.63Å; L533-Y535 VanDerWaalsContact C-N 3.3Å; L533-Y535 HydrophobicContact CB-CD1 3.65Å; L533-Y535 HydrophobicContact CB-CE1 4.14Å; L533-Y535 HydrophobicContact CB-CG 4.09Å; L533-Y535 WeakPolarHBondContact O-CD1 3.29Å; Y535-A537 PolarHBondContact O-N 3.46Å; Y535-V588 HydrophobicContact CD2-CG1 4.02Å; Y535-V588 HydrophobicContact CG-CG1 4.42Å; Y535-G589 VanDerWaalsContact CB-O 3.25Å; Y535-G589 WeakPolarHBondContact CB-O 3.34Å; Y535-G589 WeakPolarHBondContact CD2-O 3.5Å; Y535-K590 HydrophobicContact CE2-CG 4.44Å; Y535-P591 HydrophobicContact CD1-CG 3.91Å; Y535-P591 HydrophobicContact CE1-CG 3.99Å
536	P	98.8	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.			trans	-61.1	138.6	173	26.5	-34	0	0	0	109.7	K279 T281 V588 G589 K590 E594 V597	K279-P536 CarbonylContact O-C 3.41Å; K279-P536 VanDerWaalsContact O-CA 3.26Å; K279-P536 WeakPolarHBondContact O-CA 3.46Å; T281-P536 WeakPolarHBondContact OG1-CD 3.47Å; P536-V588 WeakPolarHBondContact O-CA 3.41Å; P536-G589 VanDerWaalsContact CD-O 3.3Å; P536-G589 WeakPolarHBondContact CD-O 3.46Å; P536-G589 PolarHBondContact O-N 3.3Å; P536-K590 WeakPolarHBondContact CD-O 3.41Å; P536-K590 WeakPolarHBondContact CG-O 3.32Å; P536-E594 HydrophobicContact CB-CG 3.74Å; P536-E594 HydrophobicContact CG-CG 4.39Å; P536-V597 HydrophobicContact CG-CG2 4.31Å
537	A	98.9	Very high	98.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	133.6	-177.7	0	0	0	0	0	109.9	R267 K279 Y530 Y535 Q586 V587 V588	R267-A537 WeakPolarHBondContact CD-O 3.41Å; K279-A537 WeakPolarHBondContact CB-O 3.46Å; K279-A537 PolarHBondContact N-O 2.83Å; K279-A537 PolarHBondContact O-N 2.99Å; Y530-A537 HydrophobicContact CG-CB 4.48Å; Y535-A537 PolarHBondContact O-N 3.46Å; A537-Q586 HydrophobicContact CB-CG 4.34Å; A537-V587 CarbonylContact C-O 3.5Å; A537-V587 WeakPolarHBondContact CA-O 3.42Å; A537-V588 HydrophobicContact CB-CG2 3.94Å
538	G	98.9	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.4	175	0	0	0	0	0	112.4	G277 Q586 V587	G277-G538 CarbonylContact O-C 3.59Å; G277-G538 WeakPolarHBondContact O-CA 3.33Å; G538-Q586 CarbonylContact O-C 3.59Å; G538-Q586 VanDerWaalsContact O-CA 3.22Å; G538-Q586 WeakPolarHBondContact O-CA 3.49Å; G538-V587 PolarHBondContact N-O 3.19Å; G538-V587 PolarHBondContact O-N 3.11Å
539	A	98.9	Very high	98.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.2	170.5	0	0	0	0	0	108.5	R267 C270 A276 G277 V505 I585 M601	R267-A539 HydrophobicContact CB-CB 4.01Å; R267-A539 HydrophobicContact CG-CB 4.23Å; R267-A539 WeakPolarHBondContact O-CB 3.15Å; C270-A539 HydrophobicContact CB-CB 4.27Å; A276-A539 CarbonylContact C-O 3.47Å; A276-A539 VanDerWaalsContact CA-O 3.28Å; A276-A539 WeakPolarHBondContact CA-O 3.44Å; G277-A539 PolarHBondContact N-O 3.38Å; G277-A539 PolarHBondContact O-N 2.86Å; V505-A539 HydrophobicContact CG1-CB 4.43Å; V505-A539 HydrophobicContact CG2-CB 3.86Å; A539-I585 WeakPolarHBondContact CA-O 3.06Å; A539-M601 VanDerWaalsContact O-CE 3.28Å; A539-M601 WeakPolarHBondContact O-CE 3.36Å
540	V	98.7	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.2	177.8	59.4	0	0	0	0	110.1	V312 S584 I585 V587 M601 I604 E605	V312-V540 HydrophobicContact CG2-CB 4.47Å; V312-V540 HydrophobicContact CG2-CG2 3.77Å; V540-S584 PolarHBondContact N-OG 3.34Å; V540-S584 WeakPolarHBondContact O-CA 3.23Å; V540-S584 WeakPolarHBondContact O-CB 3.42Å; V540-S584 PolarHBondContact O-OG 3.45Å; V540-I585 HydrophobicContact CG1-CB 4.13Å; V540-I585 WeakPolarHBondContact CG1-O 3.19Å; V540-I585 PolarHBondContact N-O 2.83Å; V540-I585 PolarHBondContact O-N 2.99Å; V540-V587 HydrophobicContact CG1-CG2 4.35Å; V540-M601 HydrophobicContact CB-CB 4.18Å; V540-M601 HydrophobicContact CB-CE 4.21Å; V540-M601 HydrophobicContact CB-CG 4.21Å; V540-M601 HydrophobicContact CG1-CB 4.5Å; V540-M601 HydrophobicContact CG1-CG 4.34Å; V540-M601 HydrophobicContact CG2-CB 4.43Å; V540-I604 HydrophobicContact CG1-CB 4.22Å; V540-I604 HydrophobicContact CG1-CD1 4.35Å; V540-I604 HydrophobicContact CG1-CG2 3.81Å; V540-E605 HydrophobicContact CG2-CB 3.85Å
541	P	97.8	Very high	98.1	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.123	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	139.9	172.7	-30.6	39.7	0	0	0	113.3	N274 L275	N274-P541 WeakPolarHBondContact OD1-CB 3.48Å; L275-P541 WeakPolarHBondContact O-CD 3.42Å
542	A	96.4	Very high	98.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	40.1	-174.7	0	0	0	0	0	113	V375 L583 I585 F608	V375-A542 HydrophobicContact CB-CB 4.28Å; V375-A542 WeakPolarHBondContact CG1-O 3.16Å; A542-L583 PolarHBondContact N-O 3.43Å; A542-I585 HydrophobicContact CB-CB 4.47Å; A542-I585 HydrophobicContact CB-CD1 3.51Å; A542-I585 HydrophobicContact CB-CG1 3.67Å; A542-F608 HydrophobicContact CB-CD1 4.36Å; A542-F608 HydrophobicContact CB-CD2 4.39Å; A542-F608 HydrophobicContact CB-CE1 4.13Å; A542-F608 HydrophobicContact CB-CE2 4.2Å; A542-F608 HydrophobicContact CB-CG 4.47Å; A542-F608 HydrophobicContact CB-CZ 4.06Å; A542-F608 WeakPolarHBondContact O-CD1 3.39Å; A542-F608 WeakPolarHBondContact O-CE1 3.43Å
543	G	94.7	Very high	98.1	Very high	20 Å²	20	32.5 Å²	32.5	21%	0.206	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-159.4	179.3	0	0	0	0	0	113.6	L583	G543-L583 PolarHBondContact O-N 2.91Å
544	F	97.1	Very high	98.1	Very high	70 Å²	70	34.6 Å²	34.6	31%	0.307	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.3	-171.3	-62	-86.4	0	0	0	112	F232 N580 L581 P582 L583	F232-F544 HydrophobicContact CD1-CE1 4.19Å; F232-F544 AromaticContact CE1-CE1 3.74Å; F232-F544 HydrophobicContact CE1-CE1 3.74Å; F232-F544 HydrophobicContact CE1-CZ 4.32Å; F544-N580 WeakPolarHBondContact CD1-O 3.38Å; F544-L581 WeakPolarHBondContact CA-O 3.46Å; F544-P582 HydrophobicContact CD1-CG 4.47Å; F544-P582 HydrophobicContact CE1-CB 4.38Å; F544-P582 HydrophobicContact CE1-CG 4.15Å; F544-L583 WeakPolarHBondContact O-CD1 3.18Å
545	V	98.3	Very high	98.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.194	C	C	.	.			trans	-68.1	130.1	172.4	178.4	0	0	0	0	110.1	V371 P509 D549 V550 L575 G578 N580 L581 L583	V371-V545 HydrophobicContact CG2-CG2 4.39Å; P509-V545 HydrophobicContact CB-CG2 3.92Å; P509-V545 HydrophobicContact CG-CG2 3.44Å; P509-V545 VanDerWaalsContact CG-CG2 3.44Å; V545-D549 HydrophobicContact CG1-CB 4Å; V545-V550 HydrophobicContact CG1-CG2 3.73Å; V545-L575 HydrophobicContact CG1-CD1 3.98Å; V545-L575 HydrophobicContact CG1-CD2 4.37Å; V545-L575 HydrophobicContact CG1-CG 4.39Å; V545-L575 HydrophobicContact CG2-CD1 4.14Å; V545-G578 VanDerWaalsContact CB-O 3.26Å; V545-G578 WeakPolarHBondContact CB-O 3.44Å; V545-G578 VanDerWaalsContact CG1-O 3.3Å; V545-G578 WeakPolarHBondContact CG1-O 3.34Å; V545-N580 PolarHBondContact O-N 3.25Å; V545-L581 HydrophobicContact CG2-CB 4.07Å; V545-L581 WeakPolarHBondContact CG2-O 3.31Å; V545-L581 PolarHBondContact N-O 3.2Å; V545-L583 HydrophobicContact CG2-CD1 4.44Å; V545-L583 HydrophobicContact CG2-CD2 3.89Å; V545-L583 HydrophobicContact CG2-CG 4.11Å
546	T	97.9	Very high	98.1	Very high	66 Å²	66	41.1 Å²	41.1	41%	0.405	21%	0.207	S	C	.	.			trans	-95	163.5	175.3	65	0	0	0	0	111.9	D548 D549 V550	T546-D548 PolarHBondContact O-N 3.36Å; T546-D549 WeakPolarHBondContact CB-OD2 3.46Å; T546-D549 PolarHBondContact N-OD2 3.13Å; T546-D549 WeakPolarHBondContact O-CB 3.45Å; T546-D549 PolarHBondContact O-N 3.48Å; T546-D549 VanDerWaalsContact O-N 3.15Å; T546-D549 PolarHBondContact OG1-N 3.4Å; T546-D549 VanDerWaalsContact OG1-N 3.15Å; T546-D549 PolarHBondContact OG1-OD2 3.39Å; T546-V550 PolarHBondContact O-N 2.68Å
547	E	98	Very high	98.1	Very high	135 Å²	135	41.5 Å²	41.5	63%	0.631	21%	0.21	S	C	*	.	H	α-helix	trans	-57.4	-36.3	171.9	-67.6	-179.6	-172.7	0	0	112.4	V550 R551 E579	E547-V550 PolarHBondContact O-N 3.49Å; E547-R551 WeakPolarHBondContact O-CB 3.21Å; E547-R551 PolarHBondContact O-N 2.98Å; E547-E579 HydrophobicContact CG-CG 3.93Å
548	D	98.2	Very high	98.1	Very high	90 Å²	90	47.9 Å²	47.9	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-66.6	-39.4	177	-71.8	-8.4	0	0	0	111.8	T546 V550 R551 N552	T546-D548 PolarHBondContact O-N 3.36Å; D548-V550 VanDerWaalsContact C-N 3.33Å; D548-V550 PolarHBondContact O-N 3.43Å; D548-R551 PolarHBondContact O-N 2.86Å; D548-R551 IonicContact OD1-CZ 3.43Å; D548-R551 IonicContact OD1-NH1 2.65Å; D548-R551 PolarHBondContact OD1-NH1 3.11Å; D548-R551 IonicContact OD1-NH2 3.29Å; D548-R551 PolarHBondContact OD1-NH2 2.93Å; D548-N552 VanDerWaalsContact O-CB 3.28Å; D548-N552 WeakPolarHBondContact O-CB 3.45Å; D548-N552 PolarHBondContact O-N 2.98Å; D548-N552 PolarHBondContact O-ND2 2.85Å; D548-N552 VanDerWaalsContact O-ND2 3.1Å
549	D	98.3	Very high	98	Very high	18 Å²	18	51.1 Å²	51.1	10%	0.096	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-44.8	174.3	-66.1	-55.7	0	0	0	110.7	V371 R374 V545 T546 S553 L575	V371-D549 HydrophobicContact CB-CB 3.94Å; V371-D549 HydrophobicContact CG2-CB 3.74Å; V371-D549 WeakPolarHBondContact CG2-OD1 3.43Å; R374-D549 IonicContact CZ-OD1 3.53Å; R374-D549 IonicContact CZ-OD2 2.83Å; R374-D549 IonicContact NE-OD1 3.58Å; R374-D549 PolarHBondContact NE-OD1 2.82Å; R374-D549 VanDerWaalsContact NE-OD1 3.09Å; R374-D549 IonicContact NH2-OD1 2.76Å; R374-D549 PolarHBondContact NH2-OD1 2.69Å; R374-D549 IonicContact NH2-OD2 3.94Å; R374-D549 PolarHBondContact NH2-OD2 2.83Å; V545-D549 HydrophobicContact CG1-CB 4Å; T546-D549 WeakPolarHBondContact CB-OD2 3.46Å; T546-D549 PolarHBondContact N-OD2 3.13Å; T546-D549 WeakPolarHBondContact O-CB 3.45Å; T546-D549 PolarHBondContact O-N 3.48Å; T546-D549 VanDerWaalsContact O-N 3.15Å; T546-D549 PolarHBondContact OG1-N 3.4Å; T546-D549 VanDerWaalsContact OG1-N 3.15Å; T546-D549 PolarHBondContact OG1-OD2 3.39Å; D549-S553 WeakPolarHBondContact O-CB 3.13Å; D549-S553 PolarHBondContact O-N 3.01Å; D549-L575 HydrophobicContact CB-CD2 4.49Å
550	V	98.7	Very high	97.9	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-51.5	177.2	179.7	0	0	0	0	110.5	V545 T546 E547 D548 N552 S553 L554 L575 E579	V545-V550 HydrophobicContact CG1-CG2 3.73Å; T546-V550 PolarHBondContact O-N 2.68Å; E547-V550 PolarHBondContact O-N 3.49Å; D548-V550 VanDerWaalsContact C-N 3.33Å; D548-V550 PolarHBondContact O-N 3.43Å; V550-N552 PolarHBondContact O-N 3.26Å; V550-S553 WeakPolarHBondContact O-CB 3.32Å; V550-S553 PolarHBondContact O-N 3.26Å; V550-S553 VanDerWaalsContact O-N 3.16Å; V550-L554 HydrophobicContact CG1-CD1 4.28Å; V550-L554 WeakPolarHBondContact O-CG 2.97Å; V550-L554 PolarHBondContact O-N 2.81Å; V550-L575 HydrophobicContact CG2-CG 4.19Å; V550-E579 HydrophobicContact CG2-CG 3.89Å
551	R	98.5	Very high	97.7	Very high	120 Å²	120	58.6 Å²	58.6	45%	0.453	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-47	-179.3	-167.3	-175.2	-47.6	100.1	5.6	112.1	E547 D548 S553 L554 I555	E547-R551 WeakPolarHBondContact O-CB 3.21Å; E547-R551 PolarHBondContact O-N 2.98Å; D548-R551 PolarHBondContact O-N 2.86Å; D548-R551 IonicContact OD1-CZ 3.43Å; D548-R551 IonicContact OD1-NH1 2.65Å; D548-R551 PolarHBondContact OD1-NH1 3.11Å; D548-R551 IonicContact OD1-NH2 3.29Å; D548-R551 PolarHBondContact OD1-NH2 2.93Å; R551-S553 VanDerWaalsContact C-N 3.31Å; R551-S553 PolarHBondContact O-N 3Å; R551-L554 PolarHBondContact O-N 3.43Å; R551-I555 HydrophobicContact CG-CD1 4.28Å; R551-I555 WeakPolarHBondContact O-CG1 3.31Å; R551-I555 PolarHBondContact O-N 3.34Å
552	N	98.5	Very high	97.7	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-38.5	179.2	-69.9	-25.1	0	0	0	111.6	D548 V550 L554 I555 K556	D548-N552 VanDerWaalsContact O-CB 3.28Å; D548-N552 WeakPolarHBondContact O-CB 3.45Å; D548-N552 PolarHBondContact O-N 2.98Å; D548-N552 PolarHBondContact O-ND2 2.85Å; D548-N552 VanDerWaalsContact O-ND2 3.1Å; V550-N552 PolarHBondContact O-N 3.26Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-L554 PolarHBondContact O-N 3.39Å; N552-I555 PolarHBondContact O-N 2.95Å; N552-K556 WeakPolarHBondContact O-CB 3.18Å; N552-K556 PolarHBondContact O-N 2.9Å
553	S	98.5	Very high	97.7	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-38.8	175.7	-167.2	0	0	0	0	112.4	D549 V550 R551 K556 S557 Y572	D549-S553 WeakPolarHBondContact O-CB 3.13Å; D549-S553 PolarHBondContact O-N 3.01Å; V550-S553 WeakPolarHBondContact O-CB 3.32Å; V550-S553 PolarHBondContact O-N 3.26Å; V550-S553 VanDerWaalsContact O-N 3.16Å; R551-S553 VanDerWaalsContact C-N 3.31Å; R551-S553 PolarHBondContact O-N 3Å; S553-K556 PolarHBondContact O-N 3.14Å; S553-S557 WeakPolarHBondContact O-CB 3.42Å; S553-S557 PolarHBondContact O-N 3.35Å; S553-Y572 WeakPolarHBondContact OG-CD1 3.33Å; S553-Y572 PolarHBondContact OG-O 3.09Å
554	L	98.6	Very high	97.5	Very high	48 Å²	48	67.7 Å²	67.7	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-68.4	-42.7	176.4	-65.6	179.7	0	0	0	112.3	V550 R551 N552 K556 S557 E558 K573 D576	V550-L554 HydrophobicContact CG1-CD1 4.28Å; V550-L554 WeakPolarHBondContact O-CG 2.97Å; V550-L554 PolarHBondContact O-N 2.81Å; R551-L554 PolarHBondContact O-N 3.43Å; N552-L554 VanDerWaalsContact C-N 3.34Å; N552-L554 PolarHBondContact O-N 3.39Å; L554-K556 VanDerWaalsContact C-N 3.29Å; L554-K556 PolarHBondContact O-N 3.34Å; L554-S557 VanDerWaalsContact O-CB 3.3Å; L554-S557 WeakPolarHBondContact O-CB 3.26Å; L554-S557 PolarHBondContact O-N 3.08Å; L554-S557 VanDerWaalsContact O-N 3.15Å; L554-E558 PolarHBondContact O-N 3.43Å; L554-K573 HydrophobicContact CD2-CG 4.47Å; L554-D576 HydrophobicContact CD2-CB 3.91Å
555	I	98.6	Very high	97.3	Very high	97 Å²	97	67.2 Å²	67.2	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-58.4	-44.6	173.2	-67.3	166.1	0	0	0	110.4	R551 N552 S557 E558 S559	R551-I555 HydrophobicContact CG-CD1 4.28Å; R551-I555 WeakPolarHBondContact O-CG1 3.31Å; R551-I555 PolarHBondContact O-N 3.34Å; N552-I555 PolarHBondContact O-N 2.95Å; I555-S557 VanDerWaalsContact C-N 3.34Å; I555-S557 PolarHBondContact O-N 3.02Å; I555-E558 PolarHBondContact O-N 2.55Å; I555-S559 PolarHBondContact O-N 3.42Å
556	K	98.3	Very high	97	Very high	82 Å²	82	72.4 Å²	72.4	36%	0.357	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-39.2	177	-170.1	66.1	169.1	-165.9	0	111.8	N552 S553 L554 E558 S559 L560 Y572	N552-K556 WeakPolarHBondContact O-CB 3.18Å; N552-K556 PolarHBondContact O-N 2.9Å; S553-K556 PolarHBondContact O-N 3.14Å; L554-K556 VanDerWaalsContact C-N 3.29Å; L554-K556 PolarHBondContact O-N 3.34Å; K556-E558 VanDerWaalsContact C-N 3.35Å; K556-E558 PolarHBondContact O-N 2.93Å; K556-S559 PolarHBondContact O-N 3.48Å; K556-L560 HydrophobicContact CG-CD1 3.98Å; K556-L560 HydrophobicContact CG-CG 4.42Å; K556-L560 WeakPolarHBondContact O-CB 3.48Å; K556-L560 VanDerWaalsContact O-CG 3.25Å; K556-L560 WeakPolarHBondContact O-CG 3.4Å; K556-L560 PolarHBondContact O-N 2.9Å; K556-Y572 HydrophobicContact CB-CD1 3.73Å; K556-Y572 HydrophobicContact CB-CE1 3.9Å; K556-Y572 HydrophobicContact CB-CG 4.38Å; K556-Y572 HydrophobicContact CG-CD1 3.66Å; K556-Y572 HydrophobicContact CG-CD2 4.41Å; K556-Y572 HydrophobicContact CG-CE1 3.45Å; K556-Y572 VanDerWaalsContact CG-CE1 3.45Å; K556-Y572 HydrophobicContact CG-CE2 4.24Å; K556-Y572 HydrophobicContact CG-CG 4.15Å
557	S	98.1	Very high	96.7	Very high	7 Å²	7	69.4 Å²	69.4	5%	0.049	37%	0.365	C	S	.	.	H	α-helix	trans	-57.5	-45.1	174.8	-179.6	0	0	0	0	112.1	S553 L554 I555 Y561 S569	S553-S557 WeakPolarHBondContact O-CB 3.42Å; S553-S557 PolarHBondContact O-N 3.35Å; L554-S557 VanDerWaalsContact O-CB 3.3Å; L554-S557 WeakPolarHBondContact O-CB 3.26Å; L554-S557 PolarHBondContact O-N 3.08Å; L554-S557 VanDerWaalsContact O-N 3.15Å; I555-S557 VanDerWaalsContact C-N 3.34Å; I555-S557 PolarHBondContact O-N 3.02Å; S557-Y561 WeakPolarHBondContact O-CB 3.39Å; S557-Y561 PolarHBondContact O-N 3.3Å; S557-S569 WeakPolarHBondContact CB-O 3.42Å; S557-S569 VanDerWaalsContact O-CB 3.3Å; S557-S569 WeakPolarHBondContact O-CB 3.38Å; S557-S569 PolarHBondContact O-OG 3.16Å; S557-S569 PolarHBondContact OG-O 2.87Å; S557-S569 PolarHBondContact OG-OG 2.56Å
558	E	98.3	Very high	96.5	Very high	134 Å²	134	63.4 Å²	63.4	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-68.7	-40.8	177.9	-69	179	174.3	0	0	112.5	L554 I555 K556 Y561 S562	L554-E558 PolarHBondContact O-N 3.43Å; I555-E558 PolarHBondContact O-N 2.55Å; K556-E558 VanDerWaalsContact C-N 3.35Å; K556-E558 PolarHBondContact O-N 2.93Å; E558-Y561 WeakPolarHBondContact O-CB 3.44Å; E558-Y561 PolarHBondContact O-N 2.71Å; E558-S562 WeakPolarHBondContact O-CB 3.17Å; E558-S562 PolarHBondContact O-N 3.05Å; E558-S562 PolarHBondContact O-OG 3.01Å
559	S	98.3	Very high	96.4	Very high	68 Å²	68	59.4 Å²	59.4	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175	174.3	0	0	0	0	111.8	I555 K556 S562 S563	I555-S559 PolarHBondContact O-N 3.42Å; K556-S559 PolarHBondContact O-N 3.48Å; S559-S562 PolarHBondContact O-N 3.08Å; S559-S563 PolarHBondContact O-N 3.31Å; S559-S563 PolarHBondContact O-OG 2.87Å
560	L	96	Very high	96.3	Very high	23 Å²	23	63.3 Å²	63.3	12%	0.12	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-38.4	177.1	-73.1	166.3	0	0	0	112.2	K556 S562 S563 G564 D565 M568 Y572	K556-L560 HydrophobicContact CG-CD1 3.98Å; K556-L560 HydrophobicContact CG-CG 4.42Å; K556-L560 WeakPolarHBondContact O-CB 3.48Å; K556-L560 VanDerWaalsContact O-CG 3.25Å; K556-L560 WeakPolarHBondContact O-CG 3.4Å; K556-L560 PolarHBondContact O-N 2.9Å; L560-S562 VanDerWaalsContact C-N 3.31Å; L560-S562 PolarHBondContact O-N 3.26Å; L560-S563 WeakPolarHBondContact CA-OG 3.38Å; L560-S563 PolarHBondContact O-N 3.45Å; L560-S563 PolarHBondContact O-OG 3.17Å; L560-G564 PolarHBondContact O-N 2.82Å; L560-D565 HydrophobicContact CB-CB 4.37Å; L560-D565 HydrophobicContact CD2-CB 4.08Å; L560-D565 CarbonylContact O-C 3.57Å; L560-D565 WeakPolarHBondContact O-CA 3.39Å; L560-D565 PolarHBondContact O-N 3.05Å; L560-M568 HydrophobicContact CD1-CB 3.87Å; L560-Y572 HydrophobicContact CD1-CD2 3.43Å; L560-Y572 VanDerWaalsContact CD1-CD2 3.43Å; L560-Y572 HydrophobicContact CD1-CE2 3.75Å; L560-Y572 HydrophobicContact CD1-CG 4.08Å
561	Y	95.5	Very high	96.2	Very high	135 Å²	135	63.1 Å²	63.1	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-46.3	173.5	-172.7	-90.6	0	0	0	110.7	S557 E558 S563 G564 F566 S569	S557-Y561 WeakPolarHBondContact O-CB 3.39Å; S557-Y561 PolarHBondContact O-N 3.3Å; E558-Y561 WeakPolarHBondContact O-CB 3.44Å; E558-Y561 PolarHBondContact O-N 2.71Å; Y561-S563 VanDerWaalsContact C-N 3.31Å; Y561-S563 PolarHBondContact O-N 3.35Å; Y561-G564 PolarHBondContact O-N 2.9Å; Y561-G564 VanDerWaalsContact O-N 3.1Å; Y561-F566 HydrophobicContact CD1-CE1 4.49Å; Y561-F566 AromaticContact CD2-CD1 3.58Å; Y561-F566 HydrophobicContact CD2-CD1 3.58Å; Y561-F566 AromaticContact CD2-CE1 3.91Å; Y561-F566 HydrophobicContact CD2-CE1 3.91Å; Y561-F566 HydrophobicContact CE1-CE1 4.33Å; Y561-F566 AromaticContact CE2-CD1 3.58Å; Y561-F566 HydrophobicContact CE2-CD1 3.58Å; Y561-F566 AromaticContact CE2-CE1 3.71Å; Y561-F566 HydrophobicContact CE2-CE1 3.71Å; Y561-F566 HydrophobicContact CG-CD1 4.26Å; Y561-F566 HydrophobicContact CG-CE1 4.29Å; Y561-F566 AromaticContact CZ-CE1 3.93Å; Y561-S569 WeakPolarHBondContact CB-OG 3.42Å
562	S	96.8	Very high	96.2	Very high	103 Å²	103	58 Å²	58	72%	0.72	31%	0.312	S	S	*	.	H	α-helix	trans	-67	-31.2	-179.3	-56	0	0	0	0	112.8	E558 S559 L560 G564	E558-S562 WeakPolarHBondContact O-CB 3.17Å; E558-S562 PolarHBondContact O-N 3.05Å; E558-S562 PolarHBondContact O-OG 3.01Å; S559-S562 PolarHBondContact O-N 3.08Å; L560-S562 VanDerWaalsContact C-N 3.31Å; L560-S562 PolarHBondContact O-N 3.26Å; S562-G564 VanDerWaalsContact C-N 3.29Å
563	S	95.5	Very high	96.1	Very high	87 Å²	87	59 Å²	59	61%	0.608	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.5	174.1	68.1	0	0	0	0	114.1	S559 L560 Y561	S559-S563 PolarHBondContact O-N 3.31Å; S559-S563 PolarHBondContact O-OG 2.87Å; L560-S563 WeakPolarHBondContact CA-OG 3.38Å; L560-S563 PolarHBondContact O-N 3.45Å; L560-S563 PolarHBondContact O-OG 3.17Å; Y561-S563 VanDerWaalsContact C-N 3.31Å; Y561-S563 PolarHBondContact O-N 3.35Å
564	G	91.5	Very high	96.1	Very high	41 Å²	41	59.6 Å²	59.6	42%	0.423	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	5.7	179.3	0	0	0	0	0	115.6	L560 Y561 S562 F566	L560-G564 PolarHBondContact O-N 2.82Å; Y561-G564 PolarHBondContact O-N 2.9Å; Y561-G564 VanDerWaalsContact O-N 3.1Å; S562-G564 VanDerWaalsContact C-N 3.29Å; G564-F566 VanDerWaalsContact C-N 3.3Å; G564-F566 PolarHBondContact O-N 2.82Å; G564-F566 VanDerWaalsContact O-N 3.13Å
565	D	91.9	Very high	96.1	Very high	59 Å²	59	57.5 Å²	57.5	32%	0.316	30%	0.303	S	S	.	.			trans	-87.1	73.2	172.3	-169.4	-13.9	0	0	0	110.3	L560 Y567 M568 S569	L560-D565 HydrophobicContact CB-CB 4.37Å; L560-D565 HydrophobicContact CD2-CB 4.08Å; L560-D565 CarbonylContact O-C 3.57Å; L560-D565 WeakPolarHBondContact O-CA 3.39Å; L560-D565 PolarHBondContact O-N 3.05Å; D565-Y567 VanDerWaalsContact C-N 3.27Å; D565-Y567 PolarHBondContact O-N 3.05Å; D565-M568 WeakPolarHBondContact OD1-CB 3.36Å; D565-M568 PolarHBondContact OD1-N 3.18Å; D565-M568 WeakPolarHBondContact OD2-CB 3.46Å; D565-M568 WeakPolarHBondContact OD2-CG 3.24Å; D565-S569 VanDerWaalsContact O-CB 3.23Å; D565-S569 WeakPolarHBondContact O-CB 3.47Å; D565-S569 PolarHBondContact O-N 3.09Å
566	F	92.3	Very high	96.1	Very high	112 Å²	112	56.8 Å²	56.8	49%	0.491	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-31.7	-178.2	-56.7	-57.4	0	0	0	112.9	Y561 G564 K570	Y561-F566 HydrophobicContact CD1-CE1 4.49Å; Y561-F566 AromaticContact CD2-CD1 3.58Å; Y561-F566 HydrophobicContact CD2-CD1 3.58Å; Y561-F566 AromaticContact CD2-CE1 3.91Å; Y561-F566 HydrophobicContact CD2-CE1 3.91Å; Y561-F566 HydrophobicContact CE1-CE1 4.33Å; Y561-F566 AromaticContact CE2-CD1 3.58Å; Y561-F566 HydrophobicContact CE2-CD1 3.58Å; Y561-F566 AromaticContact CE2-CE1 3.71Å; Y561-F566 HydrophobicContact CE2-CE1 3.71Å; Y561-F566 HydrophobicContact CG-CD1 4.26Å; Y561-F566 HydrophobicContact CG-CE1 4.29Å; Y561-F566 AromaticContact CZ-CE1 3.93Å; G564-F566 VanDerWaalsContact C-N 3.3Å; G564-F566 PolarHBondContact O-N 2.82Å; G564-F566 VanDerWaalsContact O-N 3.13Å; F566-K570 WeakPolarHBondContact O-CG 3.29Å; F566-K570 PolarHBondContact O-N 2.8Å; F566-K570 VanDerWaalsContact O-N 3.16Å
567	Y	91.9	Very high	96.1	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-56.5	179.8	-175.7	-81.7	0	0	0	110.1	I366 I455 P458 I518 Y519 D565 S569 K570 V571	I366-Y567 HydrophobicContact CD1-CE1 4.19Å; I366-Y567 HydrophobicContact CG1-CE1 4.26Å; I455-Y567 HydrophobicContact CG2-CD2 4.46Å; P458-Y567 HydrophobicContact CG-CD1 4.11Å; P458-Y567 HydrophobicContact CG-CE1 3.43Å; P458-Y567 VanDerWaalsContact CG-CE1 3.43Å; P458-Y567 HydrophobicContact CG-CE2 4.45Å; P458-Y567 VanDerWaalsContact O-CE2 3.31Å; P458-Y567 WeakPolarHBondContact O-CE2 3.49Å; I518-Y567 HydrophobicContact CG1-CE2 4.44Å; I518-Y567 PolarHBondContact O-OH 3.16Å; Y519-Y567 HydrophobicContact CD1-CD2 4.13Å; Y519-Y567 HydrophobicContact CD1-CE1 4.26Å; Y519-Y567 AromaticContact CD1-CE2 3.66Å; Y519-Y567 HydrophobicContact CD1-CE2 3.66Å; Y519-Y567 AromaticContact CD1-CZ 3.74Å; Y519-Y567 AromaticContact CE1-CD2 3.77Å; Y519-Y567 HydrophobicContact CE1-CD2 3.77Å; Y519-Y567 AromaticContact CE1-CE2 3.73Å; Y519-Y567 HydrophobicContact CE1-CE2 3.73Å; Y519-Y567 HydrophobicContact CE1-CG 4.3Å; D565-Y567 VanDerWaalsContact C-N 3.27Å; D565-Y567 PolarHBondContact O-N 3.05Å; Y567-S569 VanDerWaalsContact C-N 3.29Å; Y567-S569 PolarHBondContact O-N 3.09Å; Y567-K570 PolarHBondContact O-N 3.43Å; Y567-K570 VanDerWaalsContact O-N 3.12Å; Y567-V571 HydrophobicContact CD1-CG2 3.86Å; Y567-V571 HydrophobicContact CE1-CG2 3.5Å; Y567-V571 WeakPolarHBondContact O-CG2 3.37Å; Y567-V571 PolarHBondContact O-N 3.25Å
568	M	94.3	Very high	96.1	Very high	9 Å²	9	54.1 Å²	54.1	4%	0.044	30%	0.298	C	S	.	.	H	α-helix	trans	-68	-31.5	-179.5	-71.4	-58	-49.3	0	0	111.8	I366 Q367 L560 D565 K570 V571 Y572	I366-M568 HydrophobicContact CG1-SD 4.27Å; Q367-M568 HydrophobicContact CB-CE 3.76Å; Q367-M568 HydrophobicContact CB-SD 4.1Å; Q367-M568 HydrophobicContact CG-CE 4.48Å; Q367-M568 HydrophobicContact CG-SD 4.26Å; L560-M568 HydrophobicContact CD1-CB 3.87Å; D565-M568 WeakPolarHBondContact OD1-CB 3.36Å; D565-M568 PolarHBondContact OD1-N 3.18Å; D565-M568 WeakPolarHBondContact OD2-CB 3.46Å; D565-M568 WeakPolarHBondContact OD2-CG 3.24Å; M568-K570 VanDerWaalsContact C-N 3.29Å; M568-K570 PolarHBondContact O-N 3.32Å; M568-V571 HydrophobicContact CE-CB 4.01Å; M568-V571 HydrophobicContact CE-CG1 3.82Å; M568-V571 PolarHBondContact O-N 3.22Å; M568-V571 VanDerWaalsContact O-N 3.12Å; M568-V571 HydrophobicContact SD-CB 4.28Å; M568-V571 HydrophobicContact SD-CG1 4.43Å; M568-V571 HydrophobicContact SD-CG2 4.31Å; M568-Y572 HydrophobicContact CE-CD2 3.82Å; M568-Y572 HydrophobicContact CE-CE2 3.62Å; M568-Y572 WeakPolarHBondContact O-CD2 3.3Å; M568-Y572 PolarHBondContact O-N 2.94Å
569	S	95.8	Very high	96.1	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-52.6	-48	169.7	175	0	0	0	0	111.7	S557 Y561 D565 Y567 Y572 K573	S557-S569 WeakPolarHBondContact CB-O 3.42Å; S557-S569 VanDerWaalsContact O-CB 3.3Å; S557-S569 WeakPolarHBondContact O-CB 3.38Å; S557-S569 PolarHBondContact O-OG 3.16Å; S557-S569 PolarHBondContact OG-O 2.87Å; S557-S569 PolarHBondContact OG-OG 2.56Å; Y561-S569 WeakPolarHBondContact CB-OG 3.42Å; D565-S569 VanDerWaalsContact O-CB 3.23Å; D565-S569 WeakPolarHBondContact O-CB 3.47Å; D565-S569 PolarHBondContact O-N 3.09Å; Y567-S569 VanDerWaalsContact C-N 3.29Å; Y567-S569 PolarHBondContact O-N 3.09Å; S569-Y572 PolarHBondContact O-N 3.05Å; S569-K573 PolarHBondContact O-N 3.1Å; S569-K573 VanDerWaalsContact O-N 3.07Å
570	K	95.9	Very high	96	Very high	100 Å²	100	53.6 Å²	53.6	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-36.9	177	-68.6	-66.4	-175.5	-175.6	0	112.8	Y519 F566 Y567 M568 K573 L574	Y519-K570 HydrophobicContact CD1-CB 4.46Å; Y519-K570 HydrophobicContact CE1-CB 3.79Å; Y519-K570 HydrophobicContact CE2-CB 4.17Å; F566-K570 WeakPolarHBondContact O-CG 3.29Å; F566-K570 PolarHBondContact O-N 2.8Å; F566-K570 VanDerWaalsContact O-N 3.16Å; Y567-K570 PolarHBondContact O-N 3.43Å; Y567-K570 VanDerWaalsContact O-N 3.12Å; M568-K570 VanDerWaalsContact C-N 3.29Å; M568-K570 PolarHBondContact O-N 3.32Å; K570-K573 PolarHBondContact O-N 3.5Å; K570-L574 PolarHBondContact O-N 3.08Å
571	V	96.6	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-48	176	172.3	0	0	0	0	111.4	I366 L369 Y508 Y519 Y567 M568 K573 L574	I366-V571 HydrophobicContact CD1-CG1 3.99Å; I366-V571 HydrophobicContact CD1-CG2 3.84Å; I366-V571 HydrophobicContact CG1-CG1 4.29Å; I366-V571 HydrophobicContact CG1-CG2 4.38Å; L369-V571 HydrophobicContact CD1-CG1 3.78Å; Y508-V571 HydrophobicContact CD1-CG1 3.73Å; Y508-V571 HydrophobicContact CE1-CG1 3.83Å; Y519-V571 HydrophobicContact CD1-CG2 3.85Å; Y519-V571 HydrophobicContact CG-CG2 4.48Å; Y567-V571 HydrophobicContact CD1-CG2 3.86Å; Y567-V571 HydrophobicContact CE1-CG2 3.5Å; Y567-V571 WeakPolarHBondContact O-CG2 3.37Å; Y567-V571 PolarHBondContact O-N 3.25Å; M568-V571 HydrophobicContact CE-CB 4.01Å; M568-V571 HydrophobicContact CE-CG1 3.82Å; M568-V571 PolarHBondContact O-N 3.22Å; M568-V571 VanDerWaalsContact O-N 3.12Å; M568-V571 HydrophobicContact SD-CB 4.28Å; M568-V571 HydrophobicContact SD-CG1 4.43Å; M568-V571 HydrophobicContact SD-CG2 4.31Å; V571-K573 PolarHBondContact O-N 3.08Å; V571-L574 VanDerWaalsContact O-CB 3.28Å; V571-L574 WeakPolarHBondContact O-CB 3.24Å; V571-L574 WeakPolarHBondContact O-CG 3.36Å; V571-L574 PolarHBondContact O-N 3.32Å; V571-L574 VanDerWaalsContact O-N 3.07Å
572	Y	98.1	Very high	96.3	Very high	13 Å²	13	46.2 Å²	46.2	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-32.7	175.9	-89.8	-94.7	0	0	0	112.3	L369 S553 K556 L560 M568 S569 L574 L575	L369-Y572 HydrophobicContact CB-CE1 4.4Å; L369-Y572 HydrophobicContact CD1-CD1 4.44Å; L369-Y572 HydrophobicContact CD1-CD2 4.28Å; L369-Y572 HydrophobicContact CD1-CE2 4.37Å; L369-Y572 HydrophobicContact CD1-CG 4.32Å; L369-Y572 HydrophobicContact CG-CD1 3.87Å; L369-Y572 HydrophobicContact CG-CE1 3.9Å; L369-Y572 HydrophobicContact CG-CG 4.21Å; S553-Y572 WeakPolarHBondContact OG-CD1 3.33Å; S553-Y572 PolarHBondContact OG-O 3.09Å; K556-Y572 HydrophobicContact CB-CD1 3.73Å; K556-Y572 HydrophobicContact CB-CE1 3.9Å; K556-Y572 HydrophobicContact CB-CG 4.38Å; K556-Y572 HydrophobicContact CG-CD1 3.66Å; K556-Y572 HydrophobicContact CG-CD2 4.41Å; K556-Y572 HydrophobicContact CG-CE1 3.45Å; K556-Y572 VanDerWaalsContact CG-CE1 3.45Å; K556-Y572 HydrophobicContact CG-CE2 4.24Å; K556-Y572 HydrophobicContact CG-CG 4.15Å; L560-Y572 HydrophobicContact CD1-CD2 3.43Å; L560-Y572 VanDerWaalsContact CD1-CD2 3.43Å; L560-Y572 HydrophobicContact CD1-CE2 3.75Å; L560-Y572 HydrophobicContact CD1-CG 4.08Å; M568-Y572 HydrophobicContact CE-CD2 3.82Å; M568-Y572 HydrophobicContact CE-CE2 3.62Å; M568-Y572 WeakPolarHBondContact O-CD2 3.3Å; M568-Y572 PolarHBondContact O-N 2.94Å; S569-Y572 PolarHBondContact O-N 3.05Å; Y572-L574 PolarHBondContact O-N 3.38Å; Y572-L575 PolarHBondContact O-N 3.22Å
573	K	98.2	Very high	96.3	Very high	106 Å²	106	41.4 Å²	41.4	46%	0.461	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-17.5	175.7	-169.1	162.6	-176.6	162.7	0	113.7	L554 S569 K570 V571 L575 D576	L554-K573 HydrophobicContact CD2-CG 4.47Å; S569-K573 PolarHBondContact O-N 3.1Å; S569-K573 VanDerWaalsContact O-N 3.07Å; K570-K573 PolarHBondContact O-N 3.5Å; V571-K573 PolarHBondContact O-N 3.08Å; K573-L575 PolarHBondContact O-N 3.26Å; K573-L575 VanDerWaalsContact O-N 3.14Å; K573-D576 VanDerWaalsContact O-CB 3.23Å; K573-D576 WeakPolarHBondContact O-CB 3.33Å; K573-D576 PolarHBondContact O-N 3.13Å
574	L	98.2	Very high	96.5	Very high	18 Å²	18	37.6 Å²	37.6	9%	0.094	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.1	177.1	-60.8	176.9	0	0	0	112.8	R236 Y508 P511 A515 K570 V571 Y572 D576	R236-L574 PolarHBondContact NH1-O 3.45Å; Y508-L574 HydrophobicContact CD1-CD1 4.37Å; Y508-L574 HydrophobicContact CD2-CD1 4.39Å; Y508-L574 HydrophobicContact CE1-CD1 3.88Å; Y508-L574 HydrophobicContact CE2-CD1 3.91Å; P511-L574 HydrophobicContact CB-CD1 4.3Å; A515-L574 HydrophobicContact CB-CD2 3.86Å; K570-L574 PolarHBondContact O-N 3.08Å; V571-L574 VanDerWaalsContact O-CB 3.28Å; V571-L574 WeakPolarHBondContact O-CB 3.24Å; V571-L574 WeakPolarHBondContact O-CG 3.36Å; V571-L574 PolarHBondContact O-N 3.32Å; V571-L574 VanDerWaalsContact O-N 3.07Å; Y572-L574 PolarHBondContact O-N 3.38Å; L574-D576 VanDerWaalsContact C-N 3.29Å
575	L	98.4	Very high	96.8	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.1	176.8	-162.7	62.5	0	0	0	113.5	L369 V371 P509 V545 D549 V550 Y572 K573 G577 G578	L369-L575 HydrophobicContact CD2-CB 3.99Å; L369-L575 HydrophobicContact CD2-CD2 4.2Å; V371-L575 HydrophobicContact CG1-CD2 3.88Å; P509-L575 HydrophobicContact CB-CD1 4.33Å; P509-L575 HydrophobicContact CG-CD1 3.62Å; V545-L575 HydrophobicContact CG1-CD1 3.98Å; V545-L575 HydrophobicContact CG1-CD2 4.37Å; V545-L575 HydrophobicContact CG1-CG 4.39Å; V545-L575 HydrophobicContact CG2-CD1 4.14Å; D549-L575 HydrophobicContact CB-CD2 4.49Å; V550-L575 HydrophobicContact CG2-CG 4.19Å; Y572-L575 PolarHBondContact O-N 3.22Å; K573-L575 PolarHBondContact O-N 3.26Å; K573-L575 VanDerWaalsContact O-N 3.14Å; L575-G577 PolarHBondContact O-N 3.42Å; L575-G578 VanDerWaalsContact O-CA 3.28Å; L575-G578 WeakPolarHBondContact O-CA 3.39Å; L575-G578 PolarHBondContact O-N 2.87Å
576	D	98.3	Very high	97.1	Very high	83 Å²	83	32.9 Å²	32.9	44%	0.444	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	124.5	177.9	-167.9	8.1	0	0	0	111.4	R236 L554 K573 L574 G578	R236-D576 PolarHBondContact NH2-O 3.11Å; L554-D576 HydrophobicContact CD2-CB 3.91Å; K573-D576 VanDerWaalsContact O-CB 3.23Å; K573-D576 WeakPolarHBondContact O-CB 3.33Å; K573-D576 PolarHBondContact O-N 3.13Å; L574-D576 VanDerWaalsContact C-N 3.29Å; D576-G578 VanDerWaalsContact C-N 3.28Å; D576-G578 PolarHBondContact O-N 3.27Å
577	G	97.8	Very high	97.4	Very high	33 Å²	33	27.5 Å²	27.5	34%	0.34	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	25.7	-173.4	0	0	0	0	0	114.4	R236 L575 E579	R236-G577 PolarHBondContact NH2-O 2.98Å; L575-G577 PolarHBondContact O-N 3.42Å; G577-E579 WeakPolarHBondContact CA-OE2 3.41Å
578	G	97.9	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.			trans	-95.9	10.3	-173.6	0	0	0	0	0	114.3	R236 V545 L575 D576 L581	R236-G578 VanDerWaalsContact NH2-N 3.19Å; V545-G578 VanDerWaalsContact CB-O 3.26Å; V545-G578 WeakPolarHBondContact CB-O 3.44Å; V545-G578 VanDerWaalsContact CG1-O 3.3Å; V545-G578 WeakPolarHBondContact CG1-O 3.34Å; L575-G578 VanDerWaalsContact O-CA 3.28Å; L575-G578 WeakPolarHBondContact O-CA 3.39Å; L575-G578 PolarHBondContact O-N 2.87Å; D576-G578 VanDerWaalsContact C-N 3.28Å; D576-G578 PolarHBondContact O-N 3.27Å; G578-L581 WeakPolarHBondContact O-CB 3.34Å; G578-L581 VanDerWaalsContact O-CG 3.23Å; G578-L581 WeakPolarHBondContact O-CG 3.48Å; G578-L581 PolarHBondContact O-N 3.17Å
579	E	97.9	Very high	98	Very high	70 Å²	70	27 Å²	27	33%	0.327	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	143.5	176.9	-61.5	80.3	-177.8	0	0	110.9	E547 V550 G577 L581	E547-E579 HydrophobicContact CG-CG 3.93Å; V550-E579 HydrophobicContact CG2-CG 3.89Å; G577-E579 WeakPolarHBondContact CA-OE2 3.41Å; E579-L581 PolarHBondContact O-N 2.9Å; E579-L581 VanDerWaalsContact O-N 3.09Å
580	N	97.5	Very high	98.1	Very high	120 Å²	120	29.6 Å²	29.6	64%	0.642	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	10.5	-180	-53.2	-54.9	0	0	0	115.3	F544 V545	F544-N580 WeakPolarHBondContact CD1-O 3.38Å; V545-N580 PolarHBondContact O-N 3.25Å
581	L	98.4	Very high	98.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.143	C	C	.	.			trans	-70.8	143.5	171	-68.1	178	0	0	0	110.9	F232 N233 R236 P509 A510 F544 V545 G578 E579	F232-L581 HydrophobicContact CB-CD2 4.48Å; N233-L581 HydrophobicContact CB-CD2 3.94Å; R236-L581 HydrophobicContact CG-CD1 4.04Å; R236-L581 HydrophobicContact CG-CD2 3.86Å; P509-L581 HydrophobicContact CB-CB 4.03Å; P509-L581 HydrophobicContact CB-CD1 4.27Å; A510-L581 WeakPolarHBondContact O-CD1 3.33Å; F544-L581 WeakPolarHBondContact CA-O 3.46Å; V545-L581 HydrophobicContact CG2-CB 4.07Å; V545-L581 WeakPolarHBondContact CG2-O 3.31Å; V545-L581 PolarHBondContact N-O 3.2Å; G578-L581 WeakPolarHBondContact O-CB 3.34Å; G578-L581 VanDerWaalsContact O-CG 3.23Å; G578-L581 WeakPolarHBondContact O-CG 3.48Å; G578-L581 PolarHBondContact O-N 3.17Å; E579-L581 PolarHBondContact O-N 2.9Å; E579-L581 VanDerWaalsContact O-N 3.09Å
582	P	98.2	Very high	98.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	144.3	178	-23.2	34.6	0	0	0	112.7	F232 N274 F544	F232-P582 HydrophobicContact CD1-CG 4.01Å; F232-P582 HydrophobicContact CD2-CG 3.67Å; F232-P582 HydrophobicContact CE1-CG 4.14Å; F232-P582 HydrophobicContact CE2-CG 3.84Å; F232-P582 HydrophobicContact CG-CG 3.79Å; F232-P582 HydrophobicContact CZ-CG 4.08Å; N274-P582 HydrophobicContact CB-CB 3.77Å; N274-P582 HydrophobicContact CB-CG 3.68Å; F544-P582 HydrophobicContact CD1-CG 4.47Å; F544-P582 HydrophobicContact CE1-CB 4.38Å; F544-P582 HydrophobicContact CE1-CG 4.15Å
583	L	98.3	Very high	98.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.7	167.8	-64	170	0	0	0	109.2	V371 V375 P509 A542 G543 F544 V545	V371-L583 HydrophobicContact CG2-CD1 3.67Å; V371-L583 HydrophobicContact CG2-CD2 3.89Å; V371-L583 HydrophobicContact CG2-CG 4.43Å; V375-L583 HydrophobicContact CG1-CB 4.1Å; V375-L583 HydrophobicContact CG1-CD1 3.61Å; V375-L583 HydrophobicContact CG1-CG 4.41Å; V375-L583 HydrophobicContact CG2-CB 4.49Å; P509-L583 HydrophobicContact CB-CD2 4.43Å; P509-L583 HydrophobicContact CG-CD2 3.68Å; A542-L583 PolarHBondContact N-O 3.43Å; G543-L583 PolarHBondContact O-N 2.91Å; F544-L583 WeakPolarHBondContact O-CD1 3.18Å; V545-L583 HydrophobicContact CG2-CD1 4.44Å; V545-L583 HydrophobicContact CG2-CD2 3.89Å; V545-L583 HydrophobicContact CG2-CG 4.11Å
584	S	98.3	Very high	98.2	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.049	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	151.4	-177.6	-177.1	0	0	0	0	111.9	V540	V540-S584 PolarHBondContact N-OG 3.34Å; V540-S584 WeakPolarHBondContact O-CA 3.23Å; V540-S584 WeakPolarHBondContact O-CB 3.42Å; V540-S584 PolarHBondContact O-OG 3.45Å
585	I	98.6	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.6	175.6	-64.9	159.3	0	0	0	108.6	V375 V376 A379 I502 A539 V540 A542 I604 F608	V375-I585 HydrophobicContact CB-CG1 4.47Å; V375-I585 HydrophobicContact CG2-CG1 4.27Å; V375-I585 WeakPolarHBondContact O-CD1 3.29Å; V376-I585 HydrophobicContact CG2-CG1 4.46Å; A379-I585 HydrophobicContact CB-CD1 3.31Å; I502-I585 HydrophobicContact CB-CG2 4.18Å; A539-I585 WeakPolarHBondContact CA-O 3.06Å; V540-I585 HydrophobicContact CG1-CB 4.13Å; V540-I585 WeakPolarHBondContact CG1-O 3.19Å; V540-I585 PolarHBondContact N-O 2.83Å; V540-I585 PolarHBondContact O-N 2.99Å; A542-I585 HydrophobicContact CB-CB 4.47Å; A542-I585 HydrophobicContact CB-CD1 3.51Å; A542-I585 HydrophobicContact CB-CG1 3.67Å; I585-I604 HydrophobicContact CD1-CG2 3.91Å; I585-I604 HydrophobicContact CG2-CD1 4.17Å; I585-F608 HydrophobicContact CD1-CE2 4Å; I585-F608 HydrophobicContact CD1-CZ 4.2Å
586	Q	98.9	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.1	171	-176.3	166.6	-146.8	0	0	109.7	I502 C503 P504 V505 Y526 A537 G538 V588	I502-Q586 CarbonylContact C-O 3.53Å; I502-Q586 WeakPolarHBondContact CA-O 3.44Å; C503-Q586 PolarHBondContact N-O 2.75Å; C503-Q586 WeakPolarHBondContact O-CA 3.49Å; C503-Q586 WeakPolarHBondContact O-CB 3.48Å; C503-Q586 PolarHBondContact O-N 2.82Å; P504-Q586 PolarHBondContact O-NE2 3.46Å; P504-Q586 VanDerWaalsContact O-NE2 3.11Å; V505-Q586 HydrophobicContact CB-CB 4.39Å; V505-Q586 HydrophobicContact CG2-CB 3.73Å; Y526-Q586 PolarHBondContact O-NE2 3.05Å; A537-Q586 HydrophobicContact CB-CG 4.34Å; G538-Q586 CarbonylContact O-C 3.59Å; G538-Q586 VanDerWaalsContact O-CA 3.22Å; G538-Q586 WeakPolarHBondContact O-CA 3.49Å; Q586-V588 HydrophobicContact CG-CG2 3.9Å
587	V	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.3	172.4	-175.8	0	0	0	0	108.2	A500 L501 I502 A537 G538 V540 V597 V600 M601 I604	A500-V587 HydrophobicContact CB-CG1 4.41Å; L501-V587 CarbonylContact O-C 3.32Å; L501-V587 WeakPolarHBondContact O-CA 3.38Å; I502-V587 HydrophobicContact CG2-CG2 4.22Å; A537-V587 CarbonylContact C-O 3.5Å; A537-V587 WeakPolarHBondContact CA-O 3.42Å; G538-V587 PolarHBondContact N-O 3.19Å; G538-V587 PolarHBondContact O-N 3.11Å; V540-V587 HydrophobicContact CG1-CG2 4.35Å; V587-V597 HydrophobicContact CB-CG1 4.03Å; V587-V597 HydrophobicContact CG1-CB 4.41Å; V587-V597 HydrophobicContact CG1-CG1 3.94Å; V587-V597 WeakPolarHBondContact O-CG1 3.5Å; V587-V600 HydrophobicContact CG1-CB 3.77Å; V587-V600 HydrophobicContact CG1-CG1 3.68Å; V587-V600 HydrophobicContact CG2-CG1 4.14Å; V587-M601 HydrophobicContact CB-CG 3.7Å; V587-M601 HydrophobicContact CG1-CG 4.37Å; V587-M601 HydrophobicContact CG2-CB 4.45Å; V587-M601 HydrophobicContact CG2-CG 3.51Å; V587-I604 HydrophobicContact CG2-CD1 3.69Å
588	V	98.9	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141	-175.3	-176.5	0	0	0	0	109.9	A500 L501 Y530 Y535 P536 A537 Q586	A500-V588 CarbonylContact C-O 3.52Å; A500-V588 WeakPolarHBondContact CA-O 3.36Å; L501-V588 HydrophobicContact CB-CB 4.24Å; L501-V588 PolarHBondContact N-O 3.37Å; L501-V588 PolarHBondContact O-N 2.9Å; Y530-V588 HydrophobicContact CD1-CB 4.28Å; Y530-V588 HydrophobicContact CD1-CG1 3.46Å; Y530-V588 VanDerWaalsContact CD1-CG1 3.46Å; Y530-V588 HydrophobicContact CD1-CG2 3.92Å; Y530-V588 HydrophobicContact CD2-CG2 3.77Å; Y530-V588 HydrophobicContact CE1-CB 4.16Å; Y530-V588 HydrophobicContact CE1-CG1 3.68Å; Y530-V588 HydrophobicContact CE1-CG2 3.79Å; Y530-V588 HydrophobicContact CE2-CG2 3.63Å; Y530-V588 HydrophobicContact CG-CG1 4Å; Y530-V588 HydrophobicContact CG-CG2 3.88Å; Y535-V588 HydrophobicContact CD2-CG1 4.02Å; Y535-V588 HydrophobicContact CG-CG1 4.42Å; P536-V588 WeakPolarHBondContact O-CA 3.41Å; A537-V588 HydrophobicContact CB-CG2 3.94Å; Q586-V588 HydrophobicContact CG-CG2 3.9Å
589	G	98.6	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.			trans	-126.7	174.3	175.4	0	0	0	0	0	111.5	Y535 P536	Y535-G589 VanDerWaalsContact CB-O 3.25Å; Y535-G589 WeakPolarHBondContact CB-O 3.34Å; Y535-G589 WeakPolarHBondContact CD2-O 3.5Å; P536-G589 VanDerWaalsContact CD-O 3.3Å; P536-G589 WeakPolarHBondContact CD-O 3.46Å; P536-G589 PolarHBondContact O-N 3.3Å
590	K	97.4	Very high	98.3	Very high	62 Å²	62	20.2 Å²	20.2	27%	0.27	10%	0.099	S	C	.	.	S	Bend	trans	-66.9	158.2	168	-71.4	177.3	-65.7	-174.6	0	110.5	W492 Y535 P536 Y592 H593	W492-K590 HydrophobicContact CZ2-CG 4.04Å; Y535-K590 HydrophobicContact CE2-CG 4.44Å; P536-K590 WeakPolarHBondContact CD-O 3.41Å; P536-K590 WeakPolarHBondContact CG-O 3.32Å; K590-Y592 PolarHBondContact O-N 3.26Å; K590-H593 WeakPolarHBondContact O-CB 3.41Å; K590-H593 PolarHBondContact O-N 2.83Å; K590-H593 VanDerWaalsContact O-N 3.09Å
591	P	97.7	Very high	98.4	Very high	41 Å²	41	14.5 Å²	14.5	27%	0.266	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	135.4	172.1	-28.6	36.1	0	0	0	111.7	T281 Y535 H593	T281-P591 HydrophobicContact CG2-CB 3.88Å; Y535-P591 HydrophobicContact CD1-CG 3.91Å; Y535-P591 HydrophobicContact CE1-CG 3.99Å; P591-H593 VanDerWaalsContact C-N 3.29Å; P591-H593 PolarHBondContact O-N 3.08Å; P591-H593 PolarHBondContact O-ND1 3.43Å
592	Y	97.6	Very high	98.4	Very high	78 Å²	78	17 Å²	17	31%	0.306	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	18.4	-179	-45.2	-66.9	0	0	0	116.4	T281 R284 I335 K590 E594	T281-Y592 HydrophobicContact CG2-CD1 4.08Å; T281-Y592 HydrophobicContact CG2-CE1 3.65Å; T281-Y592 HydrophobicContact CG2-CE2 4.32Å; T281-Y592 PolarHBondContact OG1-N 3.1Å; R284-Y592 PolarHBondContact NH1-O 2.92Å; I335-Y592 HydrophobicContact CD1-CD1 4.24Å; I335-Y592 HydrophobicContact CD1-CE1 3.33Å; I335-Y592 HydrophobicContact CD1-CE2 4.06Å; I335-Y592 WeakPolarHBondContact CD1-OH 3.25Å; K590-Y592 PolarHBondContact O-N 3.26Å; Y592-E594 VanDerWaalsContact CA-OE2 3.23Å; Y592-E594 WeakPolarHBondContact CA-OE2 3.47Å
593	H	97.6	Very high	98.3	Very high	73 Å²	73	18.5 Å²	18.5	34%	0.338	9%	0.085	S	C	.	.			trans	-113.4	35.3	175.5	-62.3	63	0	0	0	111.9	K590 P591 E595 T596 V597	K590-H593 WeakPolarHBondContact O-CB 3.41Å; K590-H593 PolarHBondContact O-N 2.83Å; K590-H593 VanDerWaalsContact O-N 3.09Å; P591-H593 VanDerWaalsContact C-N 3.29Å; P591-H593 PolarHBondContact O-N 3.08Å; P591-H593 PolarHBondContact O-ND1 3.43Å; H593-E595 PolarHBondContact O-N 3.35Å; H593-T596 PolarHBondContact O-N 3.46Å; H593-T596 VanDerWaalsContact O-N 3.1Å; H593-V597 PolarHBondContact O-N 3.22Å
594	E	98.6	Very high	98.3	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-53	-35.8	177.4	-70.3	76.2	-171	0	0	112.3	L278 P280 T281 R284 P536 Y592 T596 V597 L598	L278-E594 HydrophobicContact CD2-CB 4.25Å; L278-E594 HydrophobicContact CD2-CG 4.29Å; P280-E594 HydrophobicContact CB-CG 4.02Å; T281-E594 WeakPolarHBondContact CB-OE1 3.29Å; T281-E594 PolarHBondContact N-OE1 3.49Å; T281-E594 PolarHBondContact OG1-OE1 3.27Å; R284-E594 IonicContact CZ-OE2 3.98Å; R284-E594 IonicContact NH1-OE2 2.8Å; R284-E594 PolarHBondContact NH1-OE2 3.49Å; P536-E594 HydrophobicContact CB-CG 3.74Å; P536-E594 HydrophobicContact CG-CG 4.39Å; Y592-E594 VanDerWaalsContact CA-OE2 3.23Å; Y592-E594 WeakPolarHBondContact CA-OE2 3.47Å; E594-T596 VanDerWaalsContact C-N 3.33Å; E594-T596 PolarHBondContact O-N 2.97Å; E594-V597 WeakPolarHBondContact O-CB 3.28Å; E594-V597 PolarHBondContact O-N 3.41Å; E594-V597 VanDerWaalsContact O-N 3.16Å; E594-L598 WeakPolarHBondContact O-CB 3.24Å; E594-L598 WeakPolarHBondContact O-CG 3.47Å; E594-L598 PolarHBondContact O-N 3.23Å
595	E	98.7	Very high	98.2	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.023	9%	0.086	C	C	.	.	H	α-helix	trans	-67.6	-34.6	-178.5	-62.7	88.4	166.7	0	0	111.9	R284 F339 D340 H593 R599	R284-E595 IonicContact CZ-OE1 2.63Å; R284-E595 IonicContact NH1-OE1 3.14Å; R284-E595 IonicContact NH1-OE2 3.69Å; R284-E595 IonicContact NH2-OE1 3.95Å; R284-E595 PolarHBondContact NH2-OE1 3.45Å; R284-E595 IonicContact NH2-OE2 3.98Å; F339-E595 WeakPolarHBondContact CA-OE1 3.31Å; F339-E595 HydrophobicContact CD1-CG 4.16Å; F339-E595 HydrophobicContact CD2-CG 3.85Å; F339-E595 HydrophobicContact CE1-CG 3.93Å; F339-E595 HydrophobicContact CE2-CG 3.63Å; F339-E595 HydrophobicContact CG-CG 4.12Å; F339-E595 HydrophobicContact CZ-CB 4.43Å; F339-E595 HydrophobicContact CZ-CG 3.66Å; D340-E595 HydrophobicContact CB-CB 4.39Å; D340-E595 HydrophobicContact CB-CG 4.02Å; D340-E595 PolarHBondContact N-OE1 2.88Å; D340-E595 WeakPolarHBondContact O-CG 3.3Å; H593-E595 PolarHBondContact O-N 3.35Å; E595-R599 WeakPolarHBondContact O-CB 3.45Å; E595-R599 PolarHBondContact O-N 3.49Å
596	T	98.5	Very high	98	Very high	16 Å²	16	21.8 Å²	21.8	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-69.9	-39	171.6	-58.9	0	0	0	0	110.9	L352 D499 H593 E594 R599 V600	L352-T596 HydrophobicContact CD1-CG2 4.38Å; D499-T596 HydrophobicContact CB-CG2 4.39Å; H593-T596 PolarHBondContact O-N 3.46Å; H593-T596 VanDerWaalsContact O-N 3.1Å; E594-T596 VanDerWaalsContact C-N 3.33Å; E594-T596 PolarHBondContact O-N 2.97Å; T596-R599 PolarHBondContact O-N 3.4Å; T596-V600 WeakPolarHBondContact O-CG2 3.46Å; T596-V600 PolarHBondContact O-N 2.96Å; T596-V600 VanDerWaalsContact O-N 3.09Å
597	V	98.8	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.5	-50.2	174.3	174	0	0	0	0	110.5	L278 P536 V587 H593 E594 R599 V600 M601	L278-V597 HydrophobicContact CD1-CG1 4.11Å; P536-V597 HydrophobicContact CG-CG2 4.31Å; V587-V597 HydrophobicContact CB-CG1 4.03Å; V587-V597 HydrophobicContact CG1-CB 4.41Å; V587-V597 HydrophobicContact CG1-CG1 3.94Å; V587-V597 WeakPolarHBondContact O-CG1 3.5Å; H593-V597 PolarHBondContact O-N 3.22Å; E594-V597 WeakPolarHBondContact O-CB 3.28Å; E594-V597 PolarHBondContact O-N 3.41Å; E594-V597 VanDerWaalsContact O-N 3.16Å; V597-R599 VanDerWaalsContact C-N 3.33Å; V597-R599 PolarHBondContact O-N 3.03Å; V597-V600 PolarHBondContact O-N 3.46Å; V597-M601 HydrophobicContact CG1-CG 4.41Å; V597-M601 HydrophobicContact CG1-SD 3.79Å; V597-M601 VanDerWaalsContact O-CG 3.24Å; V597-M601 WeakPolarHBondContact O-CG 3.46Å; V597-M601 PolarHBondContact O-N 3.16Å
598	L	98.8	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-38.7	178.3	-72.9	169.2	0	0	0	112	L278 V312 L315 A316 F339 Y344 E594 M601 R602	L278-L598 HydrophobicContact CD2-CD1 4.1Å; L278-L598 HydrophobicContact CD2-CD2 4.2Å; L278-L598 HydrophobicContact CD2-CG 4.2Å; V312-L598 HydrophobicContact CG1-CD2 4.08Å; V312-L598 WeakPolarHBondContact CG1-O 3.32Å; L315-L598 HydrophobicContact CB-CD2 3.81Å; L315-L598 HydrophobicContact CD1-CD2 4.06Å; A316-L598 HydrophobicContact CB-CD1 4.14Å; F339-L598 HydrophobicContact CE2-CD1 3.83Å; F339-L598 HydrophobicContact CZ-CD1 4.14Å; Y344-L598 HydrophobicContact CD2-CB 3.81Å; Y344-L598 HydrophobicContact CE2-CB 3.7Å; E594-L598 WeakPolarHBondContact O-CB 3.24Å; E594-L598 WeakPolarHBondContact O-CG 3.47Å; E594-L598 PolarHBondContact O-N 3.23Å; L598-M601 HydrophobicContact CD2-SD 4.3Å; L598-M601 PolarHBondContact O-N 3.23Å; L598-R602 WeakPolarHBondContact O-CB 3.33Å; L598-R602 PolarHBondContact O-N 2.91Å
599	R	98.4	Very high	96.1	Very high	15 Å²	15	26.5 Å²	26.5	6%	0.057	14%	0.137	C	C	.	.	H	α-helix	trans	-57.9	-53.2	174.1	175.3	-177.8	165.6	-175.5	3	111.5	S343 Y344 G346 R349 S350 E595 T596 V597 M601 R602 E603	S343-R599 WeakPolarHBondContact O-CD 3.44Å; Y344-R599 HydrophobicContact CD2-CB 4.48Å; Y344-R599 WeakPolarHBondContact O-CB 3.45Å; G346-R599 VanDerWaalsContact CA-CZ 3.46Å; R349-R599 PolarHBondContact O-NH1 2.55Å; R349-R599 PolarHBondContact O-NH2 3.36Å; S350-R599 PolarHBondContact O-NH2 3.28Å; E595-R599 WeakPolarHBondContact O-CB 3.45Å; E595-R599 PolarHBondContact O-N 3.49Å; T596-R599 PolarHBondContact O-N 3.4Å; V597-R599 VanDerWaalsContact C-N 3.33Å; V597-R599 PolarHBondContact O-N 3.03Å; R599-M601 VanDerWaalsContact C-N 3.3Å; R599-M601 PolarHBondContact O-N 3.03Å; R599-R602 PolarHBondContact O-N 3.36Å; R599-R602 VanDerWaalsContact O-N 3.15Å; R599-E603 WeakPolarHBondContact CG-OE1 3.41Å; R599-E603 IonicContact CZ-OE1 3.05Å; R599-E603 IonicContact NE-OE1 3.4Å; R599-E603 PolarHBondContact NE-OE1 3.35Å; R599-E603 IonicContact NH2-OE1 3.86Å; R599-E603 WeakPolarHBondContact O-CG 3.46Å; R599-E603 PolarHBondContact O-N 3.47Å
600	V	98.5	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-37.2	-178.9	172.6	0	0	0	0	110.7	L352 I354 L383 A500 I502 V587 T596 V597 E603 I604	L352-V600 HydrophobicContact CD1-CG2 3.67Å; I354-V600 HydrophobicContact CD1-CG1 4.24Å; I354-V600 HydrophobicContact CD1-CG2 3.97Å; L383-V600 HydrophobicContact CD1-CG1 4.1Å; L383-V600 HydrophobicContact CD2-CG1 4.39Å; A500-V600 HydrophobicContact CB-CG2 4.02Å; I502-V600 HydrophobicContact CG2-CG1 4.11Å; V587-V600 HydrophobicContact CG1-CB 3.77Å; V587-V600 HydrophobicContact CG1-CG1 3.68Å; V587-V600 HydrophobicContact CG2-CG1 4.14Å; T596-V600 WeakPolarHBondContact O-CG2 3.46Å; T596-V600 PolarHBondContact O-N 2.96Å; T596-V600 VanDerWaalsContact O-N 3.09Å; V597-V600 PolarHBondContact O-N 3.46Å; V600-E603 PolarHBondContact O-N 2.88Å; V600-I604 HydrophobicContact CG1-CD1 4.06Å; V600-I604 VanDerWaalsContact O-CG1 3.3Å; V600-I604 WeakPolarHBondContact O-CG1 3.46Å; V600-I604 PolarHBondContact O-N 2.78Å
601	M	98.8	Very high	91.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-46.1	171.8	-71.4	169.5	63.5	0	0	111.8	V312 L315 A539 V540 V587 V597 L598 R599 E603 I604 E605	V312-M601 HydrophobicContact CB-CB 4.45Å; V312-M601 HydrophobicContact CG1-CB 3.69Å; V312-M601 HydrophobicContact CG1-CE 4.41Å; V312-M601 HydrophobicContact CG2-CB 3.86Å; V312-M601 HydrophobicContact CG2-CE 4.19Å; L315-M601 HydrophobicContact CD1-CE 3.84Å; A539-M601 VanDerWaalsContact O-CE 3.28Å; A539-M601 WeakPolarHBondContact O-CE 3.36Å; V540-M601 HydrophobicContact CB-CB 4.18Å; V540-M601 HydrophobicContact CB-CE 4.21Å; V540-M601 HydrophobicContact CB-CG 4.21Å; V540-M601 HydrophobicContact CG1-CB 4.5Å; V540-M601 HydrophobicContact CG1-CG 4.34Å; V540-M601 HydrophobicContact CG2-CB 4.43Å; V587-M601 HydrophobicContact CB-CG 3.7Å; V587-M601 HydrophobicContact CG1-CG 4.37Å; V587-M601 HydrophobicContact CG2-CB 4.45Å; V587-M601 HydrophobicContact CG2-CG 3.51Å; V597-M601 HydrophobicContact CG1-CG 4.41Å; V597-M601 HydrophobicContact CG1-SD 3.79Å; V597-M601 VanDerWaalsContact O-CG 3.24Å; V597-M601 WeakPolarHBondContact O-CG 3.46Å; V597-M601 PolarHBondContact O-N 3.16Å; L598-M601 HydrophobicContact CD2-SD 4.3Å; L598-M601 PolarHBondContact O-N 3.23Å; R599-M601 VanDerWaalsContact C-N 3.3Å; R599-M601 PolarHBondContact O-N 3.03Å; M601-E603 VanDerWaalsContact C-N 3.34Å; M601-E603 PolarHBondContact O-N 3.3Å; M601-I604 PolarHBondContact O-N 3.47Å; M601-E605 WeakPolarHBondContact O-CB 3.33Å; M601-E605 PolarHBondContact O-N 3.42Å
602	R	97.7	Very high	89.6	Confident	54 Å²	54	36.9 Å²	36.9	20%	0.204	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-40	179.8	-176.9	-174.5	63.2	-156	-10.5	111.8	V312 D313 Y344 L598 R599 E605 S606	V312-R602 HydrophobicContact CB-CB 4.35Å; V312-R602 HydrophobicContact CG1-CB 4.02Å; D313-R602 WeakPolarHBondContact OD1-CD 3.32Å; Y344-R602 VanDerWaalsContact CZ-NH1 3.27Å; Y344-R602 PolarHBondContact O-NH2 3.4Å; L598-R602 WeakPolarHBondContact O-CB 3.33Å; L598-R602 PolarHBondContact O-N 2.91Å; R599-R602 PolarHBondContact O-N 3.36Å; R599-R602 VanDerWaalsContact O-N 3.15Å; R602-E605 PolarHBondContact O-N 2.94Å; R602-S606 PolarHBondContact O-N 2.86Å; R602-S606 PolarHBondContact O-OG 3.2Å
603	E	97.3	Very high	86.4	Confident	35 Å²	35	41.7 Å²	41.7	16%	0.164	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-44.9	175.4	-70.5	171.2	-165.1	0	0	110.9	L383 H388 R599 V600 M601 S606 C607	L383-E603 HydrophobicContact CD2-CB 3.99Å; H388-E603 IonicContact CD2-OE2 3.21Å; H388-E603 IonicContact CE1-OE2 3.77Å; H388-E603 IonicContact NE2-OE1 3.7Å; H388-E603 IonicContact NE2-OE2 3.54Å; H388-E603 PolarHBondContact NE2-OE2 2.67Å; R599-E603 WeakPolarHBondContact CG-OE1 3.41Å; R599-E603 IonicContact CZ-OE1 3.05Å; R599-E603 IonicContact NE-OE1 3.4Å; R599-E603 PolarHBondContact NE-OE1 3.35Å; R599-E603 IonicContact NH2-OE1 3.86Å; R599-E603 WeakPolarHBondContact O-CG 3.46Å; R599-E603 PolarHBondContact O-N 3.47Å; V600-E603 PolarHBondContact O-N 2.88Å; M601-E603 VanDerWaalsContact C-N 3.34Å; M601-E603 PolarHBondContact O-N 3.3Å; E603-S606 PolarHBondContact O-N 3.16Å; E603-C607 PolarHBondContact O-N 2.91Å; E603-C607 PolarHBondContact O-SG 3.44Å
604	I	97.9	Very high	83.2	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-49.4	174	-67.9	169.2	0	0	0	111.2	A379 L383 I502 V540 I585 V587 V600 M601 S606 C607 F608	A379-I604 HydrophobicContact CB-CD1 4.4Å; A379-I604 HydrophobicContact CB-CG1 4.3Å; A379-I604 HydrophobicContact CB-CG2 4.43Å; L383-I604 HydrophobicContact CD1-CD1 4.19Å; L383-I604 HydrophobicContact CD1-CG1 4.05Å; L383-I604 HydrophobicContact CD2-CG1 4.33Å; L383-I604 HydrophobicContact CG-CG1 4.3Å; I502-I604 HydrophobicContact CG2-CD1 4.08Å; V540-I604 HydrophobicContact CG1-CB 4.22Å; V540-I604 HydrophobicContact CG1-CD1 4.35Å; V540-I604 HydrophobicContact CG1-CG2 3.81Å; I585-I604 HydrophobicContact CD1-CG2 3.91Å; I585-I604 HydrophobicContact CG2-CD1 4.17Å; V587-I604 HydrophobicContact CG2-CD1 3.69Å; V600-I604 HydrophobicContact CG1-CD1 4.06Å; V600-I604 VanDerWaalsContact O-CG1 3.3Å; V600-I604 WeakPolarHBondContact O-CG1 3.46Å; V600-I604 PolarHBondContact O-N 2.78Å; M601-I604 PolarHBondContact O-N 3.47Å; I604-S606 PolarHBondContact O-N 3.49Å; I604-C607 WeakPolarHBondContact O-CB 3.31Å; I604-C607 PolarHBondContact O-N 3.19Å; I604-F608 HydrophobicContact CG2-CD2 3.9Å; I604-F608 HydrophobicContact CG2-CE2 3.97Å; I604-F608 WeakPolarHBondContact O-CD2 3.47Å; I604-F608 PolarHBondContact O-N 3.38Å
605	E	96.8	Very high	82.4	Confident	16 Å²	16	47.3 Å²	47.3	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-54.5	-42.2	179.7	178.3	172.5	-124.7	0	0	111.7	K311 V312 V540 M601 R602 F608 S609	K311-E605 WeakPolarHBondContact CA-OE1 3.47Å; K311-E605 VanDerWaalsContact CD-OE1 3.24Å; K311-E605 WeakPolarHBondContact CD-OE1 3.49Å; V312-E605 WeakPolarHBondContact CB-OE2 3.47Å; V312-E605 HydrophobicContact CG2-CB 4.1Å; V312-E605 WeakPolarHBondContact CG2-OE2 3.37Å; V312-E605 PolarHBondContact N-OE1 3.21Å; V312-E605 PolarHBondContact N-OE2 2.86Å; V312-E605 VanDerWaalsContact N-OE2 3.11Å; V540-E605 HydrophobicContact CG2-CB 3.85Å; M601-E605 WeakPolarHBondContact O-CB 3.33Å; M601-E605 PolarHBondContact O-N 3.42Å; R602-E605 PolarHBondContact O-N 2.94Å; E605-F608 PolarHBondContact O-N 3.28Å; E605-S609 WeakPolarHBondContact O-CB 3.46Å; E605-S609 PolarHBondContact O-N 3.14Å; E605-S609 PolarHBondContact O-OG 3.23Å
606	S	94	Very high	81.6	Confident	61 Å²	61	49.5 Å²	49.5	43%	0.427	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-41.3	177.7	-57.4	0	0	0	0	111.8	R602 E603 I604 F608 L610	R602-S606 PolarHBondContact O-N 2.86Å; R602-S606 PolarHBondContact O-OG 3.2Å; E603-S606 PolarHBondContact O-N 3.16Å; I604-S606 PolarHBondContact O-N 3.49Å; S606-F608 VanDerWaalsContact C-N 3.33Å; S606-F608 PolarHBondContact O-N 3.4Å; S606-L610 WeakPolarHBondContact O-CG 3.5Å; S606-L610 PolarHBondContact O-N 3.13Å
607	C	90.1	Very high	80.6	Confident	36 Å²	36	51.3 Å²	51.3	24%	0.243	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-34.4	178.7	-63.9	0	0	0	0	113.5	A382 E603 I604	A382-C607 HydrophobicContact CB-CB 3.92Å; E603-C607 PolarHBondContact O-N 2.91Å; E603-C607 PolarHBondContact O-SG 3.44Å; I604-C607 WeakPolarHBondContact O-CB 3.31Å; I604-C607 PolarHBondContact O-N 3.19Å
608	F	88.3	Confident	79.6	Confident	17 Å²	17	54.4 Å²	54.4	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-88	-27	-179.7	-77.8	-92.8	0	0	0	113.4	K378 A379 A542 I585 I604 E605 S606 Q611	K378-F608 HydrophobicContact CB-CZ 4.19Å; K378-F608 HydrophobicContact CD-CE1 3.75Å; K378-F608 HydrophobicContact CD-CZ 3.93Å; K378-F608 HydrophobicContact CG-CE1 4.3Å; K378-F608 HydrophobicContact CG-CZ 3.96Å; A379-F608 HydrophobicContact CB-CE2 4.09Å; A542-F608 HydrophobicContact CB-CD1 4.36Å; A542-F608 HydrophobicContact CB-CD2 4.39Å; A542-F608 HydrophobicContact CB-CE1 4.13Å; A542-F608 HydrophobicContact CB-CE2 4.2Å; A542-F608 HydrophobicContact CB-CG 4.47Å; A542-F608 HydrophobicContact CB-CZ 4.06Å; A542-F608 WeakPolarHBondContact O-CD1 3.39Å; A542-F608 WeakPolarHBondContact O-CE1 3.43Å; I585-F608 HydrophobicContact CD1-CE2 4Å; I585-F608 HydrophobicContact CD1-CZ 4.2Å; I604-F608 HydrophobicContact CG2-CD2 3.9Å; I604-F608 HydrophobicContact CG2-CE2 3.97Å; I604-F608 WeakPolarHBondContact O-CD2 3.47Å; I604-F608 PolarHBondContact O-N 3.38Å; E605-F608 PolarHBondContact O-N 3.28Å; S606-F608 VanDerWaalsContact C-N 3.33Å; S606-F608 PolarHBondContact O-N 3.4Å; F608-Q611 PolarHBondContact O-N 3.48Å
609	S	78.9	Confident	78.4	Confident	45 Å²	45	57.8 Å²	57.8	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-68	-37.3	176.6	-58.6	0	0	0	0	112.4	E605 Q611 T612	E605-S609 WeakPolarHBondContact O-CB 3.46Å; E605-S609 PolarHBondContact O-N 3.14Å; E605-S609 PolarHBondContact O-OG 3.23Å; S609-Q611 PolarHBondContact O-N 3.33Å; S609-Q611 VanDerWaalsContact O-N 3.09Å; S609-T612 PolarHBondContact O-N 2.88Å; S609-T612 PolarHBondContact O-OG1 3.04Å
610	L	55.6	Low	77	Confident	127 Å²	127	60.6 Å²	60.6	67%	0.665	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.5	178.8	-71.4	169.2	0	0	0	114.2	S606	S606-L610 WeakPolarHBondContact O-CG 3.5Å; S606-L610 PolarHBondContact O-N 3.13Å
611	Q	52.1	Low	75.5	Confident	93 Å²	93	64.9 Å²	64.9	44%	0.435	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-13	-175.7	-65.8	-177.7	-2.3	0	0	113.9	F608 S609 E613 S614	F608-Q611 PolarHBondContact O-N 3.48Å; S609-Q611 PolarHBondContact O-N 3.33Å; S609-Q611 VanDerWaalsContact O-N 3.09Å; Q611-E613 VanDerWaalsContact C-N 3.33Å; Q611-S614 PolarHBondContact O-OG 3.35Å
612	T	48.7	Very low	73.7	Confident	102 Å²	102	69.9 Å²	69.9	63%	0.626	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.3	172.3	42.7	0	0	0	0	112.8	S609	S609-T612 PolarHBondContact O-N 2.88Å; S609-T612 PolarHBondContact O-OG1 3.04Å
613	E	30.6	Very low	71.7	Confident	178 Å²	178	71.3 Å²	71.3	83%	0.832	41%	0.406	S	S	*	.			trans	-94.7	-10.9	176.1	-66.2	-177.4	175	0	0	113.4	Q611	Q611-E613 VanDerWaalsContact C-N 3.33Å
614	S	30.3	Very low	69.4	Low	144 Å²	144	74.5 Å²	74.5	100%	1.007	43%	0.428	S	S	*	.			trans	-99.8	0	175.2	66.7	0	0	0	0	111.5	Q611	Q611-S614 PolarHBondContact O-OG 3.35Å

Retrieved 614 of 614 residues in 373.7 ms (Link to these results)

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