A0A5K4FFP2_SCHMA Loading...

Fe2OG dioxygenase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 721 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.2	Low	61.2	Low	225 Å²	225	110.8 Å²	110.8	100%	1.108	62%	0.615	S	S	*	*				0	-17.1	0	-72.4	-179	-164.7	0	0	114.2	S5	M1-S5 PolarHBondContact O-OG 3.3Å
2	S	54.2	Low	61.6	Low	91 Å²	91	117.6 Å²	117.6	64%	0.636	63%	0.625	S	S	*	*	H	α-helix	trans	-76.4	-25.9	178.7	118.2	0	0	0	0	114.4	S6	S2-S6 PolarHBondContact O-OG 3.44Å
3	F	52.2	Low	61.8	Low	180 Å²	180	115.1 Å²	115.1	79%	0.789	61%	0.61	S	S	*	*	H	α-helix	trans	-70.6	-30.6	179.1	-98.7	-90.5	0	0	0	114.6	F7	F3-F7 PolarHBondContact O-N 3.37Å
4	A	55.9	Low	61.7	Low	70 Å²	70	114.4 Å²	114.4	58%	0.579	61%	0.606	S	S	*	*	H	α-helix	trans	-71.9	-35.7	-179.9	0	0	0	0	0	111.8	F7 V8	A4-F7 PolarHBondContact O-N 3.45Å; A4-V8 WeakPolarHBondContact O-CG2 3.34Å; A4-V8 PolarHBondContact O-N 3.49Å
5	S	54.3	Low	61.3	Low	70 Å²	70	110.7 Å²	110.7	49%	0.49	60%	0.598	S	S	.	*	H	α-helix	trans	-67	-40.6	178.8	-36.4	0	0	0	0	112	M1 F7 V8 I9	M1-S5 PolarHBondContact O-OG 3.3Å; S5-F7 VanDerWaalsContact C-N 3.35Å; S5-F7 PolarHBondContact O-N 3.49Å; S5-V8 PolarHBondContact O-N 3.41Å; S5-I9 WeakPolarHBondContact O-CG1 3.47Å; S5-I9 PolarHBondContact O-N 3.44Å
6	S	58.9	Low	60.8	Low	67 Å²	67	112.8 Å²	112.8	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-35.2	177.2	-58.2	0	0	0	0	112.5	S2 I9 V10	S2-S6 PolarHBondContact O-OG 3.44Å; S6-I9 PolarHBondContact O-N 3.23Å; S6-V10 VanDerWaalsContact O-CG2 3.31Å; S6-V10 WeakPolarHBondContact O-CG2 3.5Å; S6-V10 PolarHBondContact O-N 3Å
7	F	66.8	Low	60.2	Low	150 Å²	150	115.9 Å²	115.9	66%	0.658	60%	0.603	S	S	*	*	H	α-helix	trans	-68.7	-38.1	179.2	-134.9	-89.9	0	0	0	112.5	F3 A4 S5 V10 L11	F3-F7 PolarHBondContact O-N 3.37Å; A4-F7 PolarHBondContact O-N 3.45Å; S5-F7 VanDerWaalsContact C-N 3.35Å; S5-F7 PolarHBondContact O-N 3.49Å; F7-V10 PolarHBondContact O-N 3.47Å; F7-L11 HydrophobicContact CD1-CD1 4.04Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 PolarHBondContact O-N 3.05Å
8	V	69.4	Low	59.4	Low	83 Å²	83	112.4 Å²	112.4	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-67.3	-40.3	175.9	176.9	0	0	0	0	111.1	A4 S5 L11 W12	A4-V8 WeakPolarHBondContact O-CG2 3.34Å; A4-V8 PolarHBondContact O-N 3.49Å; S5-V8 PolarHBondContact O-N 3.41Å; V8-L11 PolarHBondContact O-N 2.88Å; V8-W12 VanDerWaalsContact O-CD1 3.3Å; V8-W12 PolarHBondContact O-N 3.29Å
9	I	69.7	Low	58.7	Low	103 Å²	103	114.1 Å²	114.1	53%	0.528	60%	0.596	S	S	.	*	H	α-helix	trans	-64.4	-42.9	176.8	-66	167	0	0	0	110.8	S5 S6 W12 I13	S5-I9 WeakPolarHBondContact O-CG1 3.47Å; S5-I9 PolarHBondContact O-N 3.44Å; S6-I9 PolarHBondContact O-N 3.23Å; I9-W12 PolarHBondContact O-N 2.93Å; I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.39Å; I9-I13 VanDerWaalsContact O-CG1 3.27Å; I9-I13 WeakPolarHBondContact O-CG1 3.27Å; I9-I13 PolarHBondContact O-N 3.37Å
10	V	70.3	Confident	57.9	Low	79 Å²	79	115.7 Å²	115.7	48%	0.479	60%	0.598	S	S	.	*	H	α-helix	trans	-65	-39.9	177	172.4	0	0	0	0	111.7	S6 F7 I13 L14	S6-V10 VanDerWaalsContact O-CG2 3.31Å; S6-V10 WeakPolarHBondContact O-CG2 3.5Å; S6-V10 PolarHBondContact O-N 3Å; F7-V10 PolarHBondContact O-N 3.47Å; V10-I13 PolarHBondContact O-N 2.83Å; V10-L14 HydrophobicContact CG1-CD1 3.81Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CB 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.33Å; V10-L14 PolarHBondContact O-N 3.47Å
11	L	68.4	Low	57.3	Low	101 Å²	101	114.4 Å²	114.4	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-64.9	-39	174.3	-82.9	163	0	0	0	112.5	F7 V8 L14 A15	F7-L11 HydrophobicContact CD1-CD1 4.04Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 PolarHBondContact O-N 3.05Å; V8-L11 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 2.83Å; L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.22Å; L11-A15 PolarHBondContact O-N 3.38Å
12	W	66.2	Low	57.1	Low	192 Å²	192	108.1 Å²	108.1	73%	0.727	57%	0.569	S	S	*	*	H	α-helix	trans	-65.4	-43.9	173.6	-91.7	72.5	0	0	0	111.9	V8 I9 A15 F16	V8-W12 VanDerWaalsContact O-CD1 3.3Å; V8-W12 PolarHBondContact O-N 3.29Å; I9-W12 PolarHBondContact O-N 2.93Å; W12-A15 PolarHBondContact O-N 2.92Å; W12-F16 VanDerWaalsContact O-CB 3.25Å; W12-F16 WeakPolarHBondContact O-CB 3.43Å; W12-F16 PolarHBondContact O-N 3.42Å
13	I	64.3	Low	56.9	Low	85 Å²	85	106.1 Å²	106.1	44%	0.436	55%	0.554	S	S	.	*	H	α-helix	trans	-63.4	-42.7	175.8	-67.6	167.7	0	0	0	110.5	I9 V10 F16 Y17	I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.39Å; I9-I13 VanDerWaalsContact O-CG1 3.27Å; I9-I13 WeakPolarHBondContact O-CG1 3.27Å; I9-I13 PolarHBondContact O-N 3.37Å; V10-I13 PolarHBondContact O-N 2.83Å; I13-F16 PolarHBondContact O-N 2.78Å; I13-Y17 HydrophobicContact CG2-CD2 3.77Å; I13-Y17 HydrophobicContact CG2-CE2 4.07Å; I13-Y17 WeakPolarHBondContact O-CB 3.47Å; I13-Y17 WeakPolarHBondContact O-CD2 3.24Å; I13-Y17 PolarHBondContact O-N 3.34Å
14	L	60	Low	57	Low	106 Å²	106	102.5 Å²	102.5	56%	0.555	54%	0.543	S	S	*	.	H	α-helix	trans	-67	-39.6	176.7	-78.1	167.2	0	0	0	112.5	V10 L11 F16 Y17 A18	V10-L14 HydrophobicContact CG1-CD1 3.81Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CB 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.33Å; V10-L14 PolarHBondContact O-N 3.47Å; L11-L14 PolarHBondContact O-N 2.83Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-Y17 PolarHBondContact O-N 2.83Å; L14-A18 VanDerWaalsContact O-CB 3.22Å; L14-A18 WeakPolarHBondContact O-CB 3.38Å; L14-A18 PolarHBondContact O-N 2.77Å
15	A	56.4	Low	58	Low	59 Å²	59	101.1 Å²	101.1	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-66.9	-37.1	174.2	0	0	0	0	0	111.4	L11 W12 A18 K19	L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.22Å; L11-A15 PolarHBondContact O-N 3.38Å; W12-A15 PolarHBondContact O-N 2.92Å; A15-A18 PolarHBondContact O-N 3.44Å; A15-K19 WeakPolarHBondContact O-CB 3.25Å; A15-K19 PolarHBondContact O-N 3.39Å
16	F	52.3	Low	59.9	Low	143 Å²	143	98.3 Å²	98.3	63%	0.627	51%	0.506	S	S	*	.	H	α-helix	trans	-66.8	-44	174.1	-151.4	-91.1	0	0	0	111	W12 I13 L14 K19 F20	W12-F16 VanDerWaalsContact O-CB 3.25Å; W12-F16 WeakPolarHBondContact O-CB 3.43Å; W12-F16 PolarHBondContact O-N 3.42Å; I13-F16 PolarHBondContact O-N 2.78Å; L14-F16 VanDerWaalsContact C-N 3.33Å; F16-K19 PolarHBondContact O-N 3.18Å; F16-F20 HydrophobicContact CD1-CD2 4.49Å; F16-F20 HydrophobicContact CE1-CD2 4.28Å; F16-F20 WeakPolarHBondContact O-CB 3.48Å; F16-F20 PolarHBondContact O-N 3.23Å
17	Y	50.8	Low	61.7	Low	166 Å²	166	96.2 Å²	96.2	65%	0.651	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-37.2	173.2	-99.8	-85	0	0	0	112.5	I13 L14 F20 C21	I13-Y17 HydrophobicContact CG2-CD2 3.77Å; I13-Y17 HydrophobicContact CG2-CE2 4.07Å; I13-Y17 WeakPolarHBondContact O-CB 3.47Å; I13-Y17 WeakPolarHBondContact O-CD2 3.24Å; I13-Y17 PolarHBondContact O-N 3.34Å; L14-Y17 PolarHBondContact O-N 2.83Å; Y17-F20 CarbonylContact O-C 3.53Å; Y17-F20 PolarHBondContact O-N 3.12Å; Y17-C21 WeakPolarHBondContact O-CB 3.43Å; Y17-C21 PolarHBondContact O-N 3.34Å
18	A	46.1	Very low	63.2	Low	54 Å²	54	89.1 Å²	89.1	45%	0.446	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-41.2	175.5	0	0	0	0	0	111.2	L14 A15 F20 C21 L22	L14-A18 VanDerWaalsContact O-CB 3.22Å; L14-A18 WeakPolarHBondContact O-CB 3.38Å; L14-A18 PolarHBondContact O-N 2.77Å; A15-A18 PolarHBondContact O-N 3.44Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-C21 WeakPolarHBondContact O-CB 3.48Å; A18-C21 PolarHBondContact O-N 3.41Å; A18-L22 PolarHBondContact O-N 3.46Å; A18-L22 VanDerWaalsContact O-N 3.14Å
19	K	45.4	Very low	64.6	Low	144 Å²	144	85.1 Å²	85.1	63%	0.626	43%	0.434	S	S	*	.	H	α-helix	trans	-63.1	-38.8	169	-96.1	-173.9	168.2	-171.3	0	112.4	A15 F16 C21 L22	A15-K19 WeakPolarHBondContact O-CB 3.25Å; A15-K19 PolarHBondContact O-N 3.39Å; F16-K19 PolarHBondContact O-N 3.18Å; K19-C21 VanDerWaalsContact C-N 3.29Å; K19-C21 PolarHBondContact O-N 2.73Å; K19-L22 PolarHBondContact O-N 3.33Å
20	F	43.5	Very low	65.9	Low	145 Å²	145	80.2 Å²	80.2	64%	0.636	41%	0.409	S	S	*	.	H	α-helix	trans	-67.8	-29.7	174.3	-130.7	-90.8	0	0	0	112.4	F16 Y17 A18 C23	F16-F20 HydrophobicContact CD1-CD2 4.49Å; F16-F20 HydrophobicContact CE1-CD2 4.28Å; F16-F20 WeakPolarHBondContact O-CB 3.48Å; F16-F20 PolarHBondContact O-N 3.23Å; Y17-F20 CarbonylContact O-C 3.53Å; Y17-F20 PolarHBondContact O-N 3.12Å; A18-F20 VanDerWaalsContact C-N 3.34Å; F20-C23 WeakPolarHBondContact O-CB 3.36Å; F20-C23 PolarHBondContact O-N 2.93Å
21	C	44.5	Very low	67.2	Low	89 Å²	89	77 Å²	77	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-72.5	-32.8	177	-129.7	0	0	0	0	112.1	Y17 A18 K19 C23 N24	Y17-C21 WeakPolarHBondContact O-CB 3.43Å; Y17-C21 PolarHBondContact O-N 3.34Å; A18-C21 WeakPolarHBondContact O-CB 3.48Å; A18-C21 PolarHBondContact O-N 3.41Å; K19-C21 VanDerWaalsContact C-N 3.29Å; K19-C21 PolarHBondContact O-N 2.73Å; C21-C23 VanDerWaalsContact C-N 3.27Å; C21-C23 PolarHBondContact O-N 3.1Å; C21-N24 PolarHBondContact O-N 3.17Å
22	L	49.5	Very low	68.5	Low	94 Å²	94	72.2 Å²	72.2	49%	0.492	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-25.4	173.9	-81.6	151.6	0	0	0	113.1	A18 K19 N24 D25	A18-L22 PolarHBondContact O-N 3.46Å; A18-L22 VanDerWaalsContact O-N 3.14Å; K19-L22 PolarHBondContact O-N 3.33Å; L22-N24 PolarHBondContact O-N 2.7Å; L22-D25 PolarHBondContact O-N 2.81Å
23	C	50.7	Low	69.7	Low	48 Å²	48	64.4 Å²	64.4	32%	0.324	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.4	174.8	-86.1	0	0	0	0	114	F20 C21 D25	F20-C23 WeakPolarHBondContact O-CB 3.36Å; F20-C23 PolarHBondContact O-N 2.93Å; C21-C23 VanDerWaalsContact C-N 3.27Å; C21-C23 PolarHBondContact O-N 3.1Å; C23-D25 VanDerWaalsContact C-N 3.34Å
24	N	53.1	Low	71	Confident	104 Å²	104	63.7 Å²	63.7	56%	0.556	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.9	176	-90.7	-37.9	0	0	0	114.9	C21 L22 K52	C21-N24 PolarHBondContact O-N 3.17Å; L22-N24 PolarHBondContact O-N 2.7Å; N24-K52 PolarHBondContact OD1-NZ 3.49Å
25	D	77.8	Confident	72.6	Confident	42 Å²	42	64.6 Å²	64.6	23%	0.225	33%	0.332	C	S	.	.	S	Bend	trans	-104.6	8.1	-170.1	-73.8	-34.5	0	0	0	115.4	L22 C23 Q93 L94	L22-D25 PolarHBondContact O-N 2.81Å; C23-D25 VanDerWaalsContact C-N 3.34Å; D25-Q93 VanDerWaalsContact O-CG 3.24Å; D25-Q93 WeakPolarHBondContact O-CG 3.47Å; D25-L94 PolarHBondContact O-N 2.83Å; D25-L94 VanDerWaalsContact O-O 3.12Å
26	V	94	Very high	74.4	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.2	171.5	-172.8	0	0	0	0	111	L94 L96 V109 L112 L113	V26-L94 WeakPolarHBondContact CA-O 3.43Å; V26-L94 HydrophobicContact CG2-CB 4.12Å; V26-L94 HydrophobicContact CG2-CD1 4.25Å; V26-L96 HydrophobicContact CG1-CB 4.33Å; V26-V109 HydrophobicContact CB-CG1 3.99Å; V26-V109 HydrophobicContact CG2-CG1 4.03Å; V26-L112 HydrophobicContact CG1-CD2 4.1Å; V26-L113 HydrophobicContact CG2-CD1 4.42Å; V26-L113 HydrophobicContact CG2-CD2 3.6Å; V26-L113 HydrophobicContact CG2-CG 4.11Å
27	L	96.5	Very high	76.6	Confident	23 Å²	23	56.7 Å²	56.7	12%	0.12	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.5	170.1	176.4	67.9	0	0	0	110.3	L29 K52 Y89 L94 I95 L96	L27-L29 HydrophobicContact CD2-CD2 3.8Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD2 4.04Å; L27-K52 HydrophobicContact CD1-CB 4.27Å; L27-Y89 HydrophobicContact CD2-CD1 3.93Å; L27-Y89 HydrophobicContact CD2-CE1 3.22Å; L27-L94 PolarHBondContact N-O 2.97Å; L27-I95 HydrophobicContact CB-CD1 3.91Å; L27-I95 HydrophobicContact CD2-CD1 4.1Å; L27-I95 HydrophobicContact CG-CD1 4.41Å; L27-I95 WeakPolarHBondContact O-CA 3.32Å; L27-L96 PolarHBondContact O-N 3.01Å
28	V	98	Very high	78.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.6	172.1	179.8	0	0	0	0	109.5	F42 F51 K52 V53 K54 L96 V98 F105	V28-F42 HydrophobicContact CG1-CZ 4.11Å; V28-F51 HydrophobicContact CG2-CB 3.99Å; V28-F51 HydrophobicContact CG2-CD1 3.62Å; V28-F51 HydrophobicContact CG2-CG 4.11Å; V28-K52 WeakPolarHBondContact CB-O 3.24Å; V28-K52 PolarHBondContact N-O 2.93Å; V28-V53 HydrophobicContact CB-CB 4.48Å; V28-V53 HydrophobicContact CB-CG2 4.09Å; V28-V53 HydrophobicContact CG1-CG1 4.34Å; V28-V53 HydrophobicContact CG1-CG2 4.31Å; V28-V53 CarbonylContact O-C 3.55Å; V28-V53 WeakPolarHBondContact O-CA 3.3Å; V28-K54 PolarHBondContact O-N 2.8Å; V28-L96 CarbonylContact C-O 3.56Å; V28-L96 VanDerWaalsContact CA-O 3.27Å; V28-L96 WeakPolarHBondContact CA-O 3.25Å; V28-L96 HydrophobicContact CG2-CB 4.37Å; V28-L96 HydrophobicContact CG2-CD2 4.03Å; V28-L96 HydrophobicContact CG2-CG 4.36Å; V28-V98 HydrophobicContact CG1-CG2 3.82Å; V28-F105 HydrophobicContact CG1-CZ 4.32Å; V28-F105 HydrophobicContact CG2-CE1 4.46Å; V28-F105 HydrophobicContact CG2-CZ 4.11Å
29	L	98	Very high	81.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.1	168.4	-62	-174.8	0	0	0	108.5	L27 K54 L80 E83 L84 I95 L96 F97 V98	L27-L29 HydrophobicContact CD2-CD2 3.8Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD2 4.04Å; L29-K54 HydrophobicContact CD2-CB 3.73Å; L29-K54 HydrophobicContact CD2-CD 4.2Å; L29-K54 HydrophobicContact CD2-CG 4.32Å; L29-L80 HydrophobicContact CB-CD1 4.32Å; L29-L80 HydrophobicContact CD1-CD1 3.52Å; L29-E83 HydrophobicContact CD1-CG 4.26Å; L29-L84 HydrophobicContact CD1-CD2 4.07Å; L29-I95 HydrophobicContact CB-CG2 4.38Å; L29-I95 HydrophobicContact CD1-CG2 3.62Å; L29-I95 HydrophobicContact CG-CG2 3.86Å; L29-L96 PolarHBondContact N-O 2.87Å; L29-F97 HydrophobicContact CB-CD2 4.24Å; L29-F97 VanDerWaalsContact O-CA 3.3Å; L29-F97 WeakPolarHBondContact O-CA 3.42Å; L29-V98 PolarHBondContact O-N 2.89Å; L29-V98 VanDerWaalsContact O-N 3.13Å
30	T	98.1	Very high	83.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.7	175.4	-176.4	0	0	0	0	109.7	F42 V53 K54 V55 L56 V98 S100	T30-F42 HydrophobicContact CG2-CE1 3.64Å; T30-F42 HydrophobicContact CG2-CZ 3.99Å; T30-V53 HydrophobicContact CG2-CG1 4Å; T30-K54 PolarHBondContact N-O 3.05Å; T30-V55 HydrophobicContact CG2-CB 4.36Å; T30-V55 HydrophobicContact CG2-CG1 4.45Å; T30-V55 HydrophobicContact CG2-CG2 3.92Å; T30-L56 WeakPolarHBondContact O-CB 3.48Å; T30-L56 WeakPolarHBondContact O-CG 3.4Å; T30-L56 PolarHBondContact O-N 3.05Å; T30-V98 WeakPolarHBondContact CA-O 3.23Å; T30-V98 WeakPolarHBondContact CB-O 3.42Å; T30-V98 PolarHBondContact OG1-O 3.2Å; T30-S100 VanDerWaalsContact OG1-CB 3.23Å; T30-S100 WeakPolarHBondContact OG1-CB 3.49Å; T30-S100 PolarHBondContact OG1-N 2.99Å
31	V	97.1	Very high	86.2	Confident	10 Å²	10	38.5 Å²	38.5	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.8	171.5	179.3	0	0	0	0	109.7	L56 W62 K76 L79 F97 S100	V31-L56 WeakPolarHBondContact CA-O 3.44Å; V31-L56 HydrophobicContact CG2-CB 4.22Å; V31-W62 HydrophobicContact CG1-CZ3 4.21Å; V31-K76 HydrophobicContact CB-CB 4.48Å; V31-K76 HydrophobicContact CB-CD 4.35Å; V31-K76 HydrophobicContact CB-CG 3.95Å; V31-K76 HydrophobicContact CG1-CG 4.04Å; V31-K76 HydrophobicContact CG2-CB 3.92Å; V31-K76 HydrophobicContact CG2-CG 3.96Å; V31-L79 HydrophobicContact CG1-CD1 3.8Å; V31-L79 HydrophobicContact CG2-CD1 4.33Å; V31-F97 HydrophobicContact CG2-CE2 4.02Å; V31-F97 HydrophobicContact CG2-CZ 4.04Å; V31-S100 PolarHBondContact O-OG 2.85Å
32	A	95.7	Very high	88.8	Confident	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.174	C	C	.	.			trans	-152.2	124.9	166.1	0	0	0	0	0	109.1	L39 V55 L56 G57 E58 Y101	A32-L39 HydrophobicContact CB-CD1 3.84Å; A32-L39 HydrophobicContact CB-CD2 3.76Å; A32-L39 HydrophobicContact CB-CG 4.34Å; A32-V55 HydrophobicContact CB-CG1 3.7Å; A32-L56 PolarHBondContact N-O 2.82Å; A32-G57 CarbonylContact O-C 3.53Å; A32-E58 WeakPolarHBondContact O-CA 3.43Å; A32-E58 PolarHBondContact O-N 3.24Å; A32-Y101 HydrophobicContact CB-CE1 3.8Å
33	T	92.9	Very high	91.1	Very high	27 Å²	27	32.2 Å²	32.2	17%	0.166	16%	0.163	C	C	.	.	S	Bend	trans	-83.9	-21.2	178	53.8	0	0	0	0	112.6	G57 G59 S60 W62 Y101	T33-G57 WeakPolarHBondContact CA-O 3.21Å; T33-G59 PolarHBondContact O-N 2.86Å; T33-G59 VanDerWaalsContact O-N 3.16Å; T33-S60 WeakPolarHBondContact CB-O 3.37Å; T33-W62 HydrophobicContact CG2-CB 3.95Å; T33-W62 HydrophobicContact CG2-CE3 3.77Å; T33-Y101 PolarHBondContact N-OH 3.11Å
34	E	91.1	Very high	93.3	Very high	71 Å²	71	32.1 Å²	32.1	33%	0.332	16%	0.156	S	C	.	.	S	Bend	trans	-138.6	145.1	-175.7	-157.6	-162.3	132.5	0	0	111.9	Y101 K462	E34-Y101 PolarHBondContact N-OH 3.1Å; E34-Y101 PolarHBondContact O-OH 3.41Å; E34-K462 WeakPolarHBondContact OE1-CE 3.45Å; E34-K462 IonicContact OE1-NZ 3.09Å; E34-K462 PolarHBondContact OE1-NZ 3.12Å; E34-K462 IonicContact OE2-NZ 3.91Å; E34-K462 PolarHBondContact OE2-NZ 3.24Å
35	K	92.9	Very high	95.4	Very high	124 Å²	124	27.2 Å²	27.2	54%	0.539	13%	0.13	S	C	.	.			trans	-77.1	120.2	165.4	-63.2	-173.9	-178.9	-175.4	0	110.2	L39 E58	K35-L39 HydrophobicContact CG-CD2 4.49Å; K35-E58 WeakPolarHBondContact CE-OE1 3.15Å; K35-E58 WeakPolarHBondContact CG-OE1 3.25Å; K35-E58 IonicContact NZ-OE1 2.99Å
36	N	95.4	Very high	96.4	Very high	9 Å²	9	25.2 Å²	25.2	5%	0.048	12%	0.12	C	C	.	.			trans	-145.8	177.3	176.1	58.2	36.4	0	0	0	110.4	A38 L39 Q40 Y101 W458 N481	N36-A38 PolarHBondContact O-N 3.22Å; N36-A38 WeakPolarHBondContact OD1-CB 3.31Å; N36-A38 PolarHBondContact OD1-N 3.4Å; N36-L39 PolarHBondContact O-N 2.77Å; N36-L39 PolarHBondContact OD1-N 3.47Å; N36-Q40 WeakPolarHBondContact O-CG 3.41Å; N36-Q40 PolarHBondContact O-N 3.14Å; N36-Q40 VanDerWaalsContact O-N 3.08Å; N36-Y101 VanDerWaalsContact ND2-CE1 3.29Å; N36-Y101 WeakPolarHBondContact ND2-CE1 3.45Å; N36-W458 HydrophobicContact CB-CH2 4Å; N36-W458 HydrophobicContact CB-CZ2 3.95Å; N36-N481 HydrophobicContact CB-CB 4.09Å
37	D	97	Very high	96.5	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.144	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-33.9	-175.6	-60.6	-34.4	0	0	0	112.3	Q40 R41 S400 N481 V482 F483	D37-Q40 PolarHBondContact O-N 3.38Å; D37-R41 PolarHBondContact O-N 2.76Å; D37-S400 VanDerWaalsContact CG-OG 3.25Å; D37-S400 PolarHBondContact OD1-OG 2.8Å; D37-S400 WeakPolarHBondContact OD2-CB 3.43Å; D37-S400 PolarHBondContact OD2-OG 2.78Å; D37-N481 PolarHBondContact N-O 3.1Å; D37-V482 WeakPolarHBondContact OD2-CA 3.43Å; D37-F483 HydrophobicContact CB-CB 3.98Å; D37-F483 HydrophobicContact CB-CD1 4.08Å; D37-F483 HydrophobicContact CB-CD2 3.47Å; D37-F483 VanDerWaalsContact CB-CD2 3.47Å; D37-F483 HydrophobicContact CB-CE1 4.45Å; D37-F483 HydrophobicContact CB-CE2 3.89Å; D37-F483 HydrophobicContact CB-CG 3.57Å; D37-F483 HydrophobicContact CB-CZ 4.36Å; D37-F483 PolarHBondContact OD2-N 3.29Å
38	A	97.2	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-44.3	177.7	0	0	0	0	0	112.7	N36 R41 F42 Y101 N481 F483	N36-A38 PolarHBondContact O-N 3.22Å; N36-A38 WeakPolarHBondContact OD1-CB 3.31Å; N36-A38 PolarHBondContact OD1-N 3.4Å; A38-R41 PolarHBondContact O-N 2.7Å; A38-F42 PolarHBondContact O-N 3.25Å; A38-F42 VanDerWaalsContact O-N 3.1Å; A38-Y101 HydrophobicContact CB-CD1 4.27Å; A38-Y101 HydrophobicContact CB-CG 4.33Å; A38-Y101 VanDerWaalsContact CB-O 3.31Å; A38-Y101 WeakPolarHBondContact CB-O 3.36Å; A38-N481 HydrophobicContact CB-CB 3.72Å; A38-F483 HydrophobicContact CB-CE1 4.23Å; A38-F483 HydrophobicContact CB-CZ 3.93Å
39	L	97.1	Very high	96.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-39.4	172.8	-178.9	62.3	0	0	0	111.6	A32 K35 N36 F42 L43 V55 Y101	A32-L39 HydrophobicContact CB-CD1 3.84Å; A32-L39 HydrophobicContact CB-CD2 3.76Å; A32-L39 HydrophobicContact CB-CG 4.34Å; K35-L39 HydrophobicContact CG-CD2 4.49Å; N36-L39 PolarHBondContact O-N 2.77Å; N36-L39 PolarHBondContact OD1-N 3.47Å; L39-F42 HydrophobicContact CD1-CD1 4.14Å; L39-F42 WeakPolarHBondContact O-CB 3.46Å; L39-F42 PolarHBondContact O-N 3.45Å; L39-L43 HydrophobicContact CD1-CD1 4.3Å; L39-L43 HydrophobicContact CD1-CG 4.15Å; L39-L43 HydrophobicContact CD2-CD1 4.48Å; L39-L43 HydrophobicContact CG-CD1 3.97Å; L39-L43 HydrophobicContact CG-CG 4.27Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 2.98Å; L39-V55 HydrophobicContact CD1-CG2 4.46Å; L39-Y101 HydrophobicContact CB-CD1 4.2Å; L39-Y101 HydrophobicContact CB-CE1 4.09Å
40	Q	96.6	Very high	96.1	Very high	94 Å²	94	35.5 Å²	35.5	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-44.9	177.4	-66.7	-54.4	-33.1	0	0	111.6	N36 D37 F42 L43 R44	N36-Q40 WeakPolarHBondContact O-CG 3.41Å; N36-Q40 PolarHBondContact O-N 3.14Å; N36-Q40 VanDerWaalsContact O-N 3.08Å; D37-Q40 PolarHBondContact O-N 3.38Å; Q40-F42 VanDerWaalsContact C-N 3.31Å; Q40-F42 PolarHBondContact O-N 3.03Å; Q40-L43 PolarHBondContact O-N 3.31Å; Q40-R44 VanDerWaalsContact O-CB 3.25Å; Q40-R44 WeakPolarHBondContact O-CB 3.33Å; Q40-R44 PolarHBondContact O-N 3.16Å
41	R	97.4	Very high	96.1	Very high	32 Å²	32	36 Å²	36	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-46	173	176.5	-176.4	61.7	-166.1	-7.7	111.7	D37 A38 S45 Y101 V104 F250 N251 S254 F483	D37-R41 PolarHBondContact O-N 2.76Å; A38-R41 PolarHBondContact O-N 2.7Å; R41-S45 PolarHBondContact O-N 2.77Å; R41-Y101 PolarHBondContact NH2-O 2.91Å; R41-V104 HydrophobicContact CG-CG2 3.94Å; R41-F250 VanDerWaalsContact NH2-CE1 3.3Å; R41-N251 PolarHBondContact NH1-OD1 2.94Å; R41-N251 PolarHBondContact NH2-OD1 3.01Å; R41-S254 PolarHBondContact NH1-OG 2.91Å; R41-F483 HydrophobicContact CB-CE2 4.23Å
42	F	98.4	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-53.8	177.2	168.5	-93.9	0	0	0	111.9	V28 T30 A38 L39 Q40 R44 S45 C46 V53 V98 D99 S100 V103 F105	V28-F42 HydrophobicContact CG1-CZ 4.11Å; T30-F42 HydrophobicContact CG2-CE1 3.64Å; T30-F42 HydrophobicContact CG2-CZ 3.99Å; A38-F42 PolarHBondContact O-N 3.25Å; A38-F42 VanDerWaalsContact O-N 3.1Å; L39-F42 HydrophobicContact CD1-CD1 4.14Å; L39-F42 WeakPolarHBondContact O-CB 3.46Å; L39-F42 PolarHBondContact O-N 3.45Å; Q40-F42 VanDerWaalsContact C-N 3.31Å; Q40-F42 PolarHBondContact O-N 3.03Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 2.93Å; F42-S45 PolarHBondContact O-N 3.18Å; F42-S45 VanDerWaalsContact O-N 3.11Å; F42-S45 PolarHBondContact O-OG 3.17Å; F42-C46 PolarHBondContact O-N 3.16Å; F42-C46 PolarHBondContact O-SG 3.29Å; F42-C46 VanDerWaalsContact O-SG 3.42Å; F42-V53 HydrophobicContact CE1-CG1 3.89Å; F42-V98 HydrophobicContact CE2-CG2 3.61Å; F42-V98 HydrophobicContact CZ-CG2 3.71Å; F42-D99 WeakPolarHBondContact CE2-O 3.11Å; F42-S100 WeakPolarHBondContact CB-O 3.24Å; F42-V103 HydrophobicContact CD2-CB 3.9Å; F42-V103 HydrophobicContact CD2-CG1 3.99Å; F42-V103 HydrophobicContact CE2-CB 4.15Å; F42-V103 HydrophobicContact CE2-CG1 3.91Å; F42-F105 HydrophobicContact CD2-CE2 4.45Å; F42-F105 HydrophobicContact CE2-CD2 4.28Å; F42-F105 AromaticContact CE2-CE2 3.69Å; F42-F105 HydrophobicContact CE2-CE2 3.69Å; F42-F105 HydrophobicContact CZ-CE2 4.19Å
43	L	98	Very high	96.1	Very high	50 Å²	50	43.6 Å²	43.6	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-41.3	-179.2	-70.4	174.4	0	0	0	111.8	L39 Q40 C46 N47 V53 V55	L39-L43 HydrophobicContact CD1-CD1 4.3Å; L39-L43 HydrophobicContact CD1-CG 4.15Å; L39-L43 HydrophobicContact CD2-CD1 4.48Å; L39-L43 HydrophobicContact CG-CD1 3.97Å; L39-L43 HydrophobicContact CG-CG 4.27Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 2.98Å; Q40-L43 PolarHBondContact O-N 3.31Å; L43-C46 PolarHBondContact O-N 2.86Å; L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-V53 HydrophobicContact CD2-CB 4.23Å; L43-V53 HydrophobicContact CD2-CG1 3.89Å; L43-V55 HydrophobicContact CD2-CG2 4.05Å
44	R	97.2	Very high	96.3	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.177	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-49.9	173.4	-179.3	-177.6	176	-80.3	-10.5	111	Q40 F42 C46 N47 L48 A258 Y259 S260 E272	Q40-R44 VanDerWaalsContact O-CB 3.25Å; Q40-R44 WeakPolarHBondContact O-CB 3.33Å; Q40-R44 PolarHBondContact O-N 3.16Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 2.93Å; R44-C46 VanDerWaalsContact C-N 3.31Å; R44-C46 PolarHBondContact O-N 3.1Å; R44-N47 PolarHBondContact O-N 3.09Å; R44-L48 HydrophobicContact CG-CD1 3.87Å; R44-L48 HydrophobicContact CG-CG 4.48Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 3.43Å; R44-A258 PolarHBondContact NH1-O 2.98Å; R44-Y259 PolarHBondContact NH2-O 3.45Å; R44-S260 PolarHBondContact NH1-OG 3.05Å; R44-E272 IonicContact CZ-OE1 2.79Å; R44-E272 IonicContact CZ-OE2 3.98Å; R44-E272 IonicContact NE-OE1 3.91Å; R44-E272 IonicContact NE-OE2 3.06Å; R44-E272 PolarHBondContact NE-OE2 3.34Å; R44-E272 VanDerWaalsContact NH2-CD 3.35Å; R44-E272 IonicContact NH2-OE1 2.85Å; R44-E272 PolarHBondContact NH2-OE1 2.85Å; R44-E272 IonicContact NH2-OE2 2.68Å; R44-E272 PolarHBondContact NH2-OE2 2.86Å
45	S	98	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-38.2	179.6	78.8	0	0	0	0	112.8	R41 F42 N49 F105	R41-S45 PolarHBondContact O-N 2.77Å; F42-S45 PolarHBondContact O-N 3.18Å; F42-S45 VanDerWaalsContact O-N 3.11Å; F42-S45 PolarHBondContact O-OG 3.17Å; S45-N49 WeakPolarHBondContact O-CB 3.46Å; S45-N49 PolarHBondContact O-N 3.05Å; S45-N49 PolarHBondContact O-ND2 3.1Å; S45-F105 PolarHBondContact OG-N 2.99Å
46	C	98	Very high	96.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-50	175.1	-71.3	0	0	0	0	111.7	F42 L43 R44 L48 N49 G50 F51 V53 F105	F42-C46 PolarHBondContact O-N 3.16Å; F42-C46 PolarHBondContact O-SG 3.29Å; F42-C46 VanDerWaalsContact O-SG 3.42Å; L43-C46 PolarHBondContact O-N 2.86Å; R44-C46 VanDerWaalsContact C-N 3.31Å; R44-C46 PolarHBondContact O-N 3.1Å; C46-L48 PolarHBondContact O-N 2.58Å; C46-N49 CarbonylContact O-C 3.6Å; C46-N49 PolarHBondContact O-N 3.31Å; C46-N49 VanDerWaalsContact O-N 3.15Å; C46-G50 PolarHBondContact O-N 2.88Å; C46-G50 VanDerWaalsContact O-N 3.09Å; C46-F51 HydrophobicContact CB-CB 3.99Å; C46-F51 PolarHBondContact O-N 2.88Å; C46-V53 HydrophobicContact CB-CG2 3.42Å; C46-V53 VanDerWaalsContact CB-CG2 3.42Å; C46-F105 WeakPolarHBondContact SG-CD2 3.4Å; C46-F105 WeakPolarHBondContact SG-CE2 3.48Å
47	N	96.1	Very high	96.7	Very high	127 Å²	127	39 Å²	39	68%	0.679	21%	0.208	S	C	*	.	H	α-helix	trans	-60.3	-47.1	-177.5	-176	51.9	0	0	0	111.7	L43 R44 N49 G50	L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 2.87Å; R44-N47 PolarHBondContact O-N 3.09Å; N47-N49 PolarHBondContact O-N 3.45Å; N47-G50 PolarHBondContact O-N 2.97Å; N47-G50 VanDerWaalsContact O-N 3.08Å
48	L	95.2	Very high	96.3	Very high	64 Å²	64	42.8 Å²	42.8	34%	0.335	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-25.6	178.7	-67.9	172.7	0	0	0	113.2	R44 C46 A258 Y259	R44-L48 HydrophobicContact CG-CD1 3.87Å; R44-L48 HydrophobicContact CG-CG 4.48Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 3.43Å; C46-L48 PolarHBondContact O-N 2.58Å; L48-A258 WeakPolarHBondContact CD1-O 3.41Å; L48-Y259 HydrophobicContact CB-CD2 3.77Å; L48-Y259 HydrophobicContact CB-CE2 3.99Å; L48-Y259 HydrophobicContact CD1-CD2 4Å; L48-Y259 HydrophobicContact CG-CD2 4.42Å
49	N	95.2	Very high	95.9	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.027	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.6	177.5	-75.3	-68.3	0	0	0	113.7	S45 C46 N47 F51 F105 Q107 N108 V109	S45-N49 WeakPolarHBondContact O-CB 3.46Å; S45-N49 PolarHBondContact O-N 3.05Å; S45-N49 PolarHBondContact O-ND2 3.1Å; C46-N49 CarbonylContact O-C 3.6Å; C46-N49 PolarHBondContact O-N 3.31Å; C46-N49 VanDerWaalsContact O-N 3.15Å; N47-N49 PolarHBondContact O-N 3.45Å; N49-F51 HydrophobicContact CB-CD2 3.74Å; N49-F51 HydrophobicContact CB-CE2 3.83Å; N49-F105 HydrophobicContact CB-CB 4.47Å; N49-F105 PolarHBondContact ND2-O 2.91Å; N49-Q107 WeakPolarHBondContact CB-O 3.5Å; N49-Q107 PolarHBondContact OD1-O 2.9Å; N49-N108 VanDerWaalsContact O-CA 3.3Å; N49-N108 WeakPolarHBondContact O-CA 3.4Å; N49-N108 WeakPolarHBondContact O-CB 3.47Å; N49-V109 PolarHBondContact O-N 2.9Å
50	G	94.6	Very high	95.5	Very high	53 Å²	53	48 Å²	48	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	16.6	174.5	0	0	0	0	0	115.4	C46 N47 V109	C46-G50 PolarHBondContact O-N 2.88Å; C46-G50 VanDerWaalsContact O-N 3.09Å; N47-G50 PolarHBondContact O-N 2.97Å; N47-G50 VanDerWaalsContact O-N 3.08Å; G50-V109 VanDerWaalsContact C-CG2 3.46Å; G50-V109 WeakPolarHBondContact O-CG2 3.23Å
51	F	96.4	Very high	95.2	Very high	12 Å²	12	51.3 Å²	51.3	5%	0.053	29%	0.288	C	S	.	.			trans	-83.3	131.5	178.7	-72.1	-84.7	0	0	0	112.2	V28 C46 N49 L96 F105 Q107 V109 L112 I238	V28-F51 HydrophobicContact CG2-CB 3.99Å; V28-F51 HydrophobicContact CG2-CD1 3.62Å; V28-F51 HydrophobicContact CG2-CG 4.11Å; C46-F51 HydrophobicContact CB-CB 3.99Å; C46-F51 PolarHBondContact O-N 2.88Å; N49-F51 HydrophobicContact CB-CD2 3.74Å; N49-F51 HydrophobicContact CB-CE2 3.83Å; F51-L96 HydrophobicContact CE1-CD2 4.4Å; F51-F105 HydrophobicContact CD1-CD1 4.42Å; F51-F105 AromaticContact CD1-CE1 3.98Å; F51-F105 HydrophobicContact CD1-CE1 3.98Å; F51-F105 AromaticContact CD2-CD1 3.56Å; F51-F105 HydrophobicContact CD2-CD1 3.56Å; F51-F105 AromaticContact CD2-CE1 3.94Å; F51-F105 HydrophobicContact CD2-CE1 3.94Å; F51-F105 HydrophobicContact CD2-CG 4.25Å; F51-F105 HydrophobicContact CE1-CD1 4.24Å; F51-F105 AromaticContact CE1-CE1 3.85Å; F51-F105 HydrophobicContact CE1-CE1 3.85Å; F51-F105 AromaticContact CE2-CD1 3.33Å; F51-F105 HydrophobicContact CE2-CD1 3.33Å; F51-F105 AromaticContact CE2-CE1 3.81Å; F51-F105 HydrophobicContact CE2-CE1 3.81Å; F51-F105 HydrophobicContact CE2-CG 4.29Å; F51-F105 HydrophobicContact CG-CD1 4.11Å; F51-F105 HydrophobicContact CG-CE1 4.02Å; F51-F105 AromaticContact CZ-CD1 3.7Å; F51-F105 HydrophobicContact CZ-CD1 3.7Å; F51-F105 AromaticContact CZ-CE1 3.76Å; F51-F105 HydrophobicContact CZ-CE1 3.76Å; F51-Q107 VanDerWaalsContact CE2-O 3.31Å; F51-Q107 WeakPolarHBondContact CE2-O 3.22Å; F51-V109 HydrophobicContact CD1-CG1 4.43Å; F51-V109 HydrophobicContact CD1-CG2 3.73Å; F51-V109 HydrophobicContact CD2-CG2 4Å; F51-V109 HydrophobicContact CE1-CB 4.09Å; F51-V109 HydrophobicContact CE1-CG1 4.02Å; F51-V109 HydrophobicContact CE1-CG2 3.75Å; F51-V109 HydrophobicContact CE2-CG2 4.01Å; F51-V109 HydrophobicContact CG-CG2 3.86Å; F51-V109 HydrophobicContact CZ-CB 4.19Å; F51-V109 HydrophobicContact CZ-CG2 3.91Å; F51-L112 HydrophobicContact CE1-CD2 3.54Å; F51-L112 HydrophobicContact CZ-CB 4.2Å; F51-L112 HydrophobicContact CZ-CD2 3.98Å; F51-I238 HydrophobicContact CZ-CG2 4.45Å
52	K	96.3	Very high	94.8	Very high	127 Å²	127	54 Å²	54	55%	0.552	30%	0.298	S	S	*	.			trans	-82.9	128	166.5	-66	178.2	-174.7	167	0	108.9	N24 L27 V28	N24-K52 PolarHBondContact OD1-NZ 3.49Å; L27-K52 HydrophobicContact CD1-CB 4.27Å; V28-K52 WeakPolarHBondContact CB-O 3.24Å; V28-K52 PolarHBondContact N-O 2.93Å
53	V	97.2	Very high	94.5	Very high	43 Å²	43	60.2 Å²	60.2	26%	0.261	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.7	-175.4	-175.7	0	0	0	0	110.3	V28 T30 F42 L43 C46 V55	V28-V53 HydrophobicContact CB-CB 4.48Å; V28-V53 HydrophobicContact CB-CG2 4.09Å; V28-V53 HydrophobicContact CG1-CG1 4.34Å; V28-V53 HydrophobicContact CG1-CG2 4.31Å; V28-V53 CarbonylContact O-C 3.55Å; V28-V53 WeakPolarHBondContact O-CA 3.3Å; T30-V53 HydrophobicContact CG2-CG1 4Å; F42-V53 HydrophobicContact CE1-CG1 3.89Å; L43-V53 HydrophobicContact CD2-CB 4.23Å; L43-V53 HydrophobicContact CD2-CG1 3.89Å; C46-V53 HydrophobicContact CB-CG2 3.42Å; C46-V53 VanDerWaalsContact CB-CG2 3.42Å; V53-V55 HydrophobicContact CG1-CG2 4.23Å
54	K	97	Very high	94	Very high	73 Å²	73	57.8 Å²	57.8	32%	0.317	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.4	164	-176.2	177.2	-172.7	169.2	0	109.4	V28 L29 T30 L56 E83 Y89	V28-K54 PolarHBondContact O-N 2.8Å; L29-K54 HydrophobicContact CD2-CB 3.73Å; L29-K54 HydrophobicContact CD2-CD 4.2Å; L29-K54 HydrophobicContact CD2-CG 4.32Å; T30-K54 PolarHBondContact N-O 3.05Å; K54-L56 HydrophobicContact CD-CD2 4.34Å; K54-L56 HydrophobicContact CG-CD2 4.12Å; K54-E83 WeakPolarHBondContact CE-OE1 3.34Å; K54-E83 WeakPolarHBondContact CE-OE2 3.12Å; K54-E83 VanDerWaalsContact NZ-CD 3.31Å; K54-E83 IonicContact NZ-OE1 3.13Å; K54-E83 PolarHBondContact NZ-OE1 2.91Å; K54-E83 IonicContact NZ-OE2 2.82Å; K54-E83 PolarHBondContact NZ-OE2 2.92Å; K54-Y89 PolarHBondContact NZ-OH 3.38Å
55	V	97.4	Very high	93.4	Very high	36 Å²	36	56.9 Å²	56.9	22%	0.218	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126	178.5	-176.8	0	0	0	0	109.2	T30 A32 L39 L43 V53	T30-V55 HydrophobicContact CG2-CB 4.36Å; T30-V55 HydrophobicContact CG2-CG1 4.45Å; T30-V55 HydrophobicContact CG2-CG2 3.92Å; A32-V55 HydrophobicContact CB-CG1 3.7Å; L39-V55 HydrophobicContact CD1-CG2 4.46Å; L43-V55 HydrophobicContact CD2-CG2 4.05Å; V53-V55 HydrophobicContact CG1-CG2 4.23Å
56	L	96.8	Very high	92.6	Very high	11 Å²	11	64 Å²	64	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.5	179.7	-50.2	-178.4	0	0	0	110.4	T30 V31 A32 K54 E58 L79 L80 E83	T30-L56 WeakPolarHBondContact O-CB 3.48Å; T30-L56 WeakPolarHBondContact O-CG 3.4Å; T30-L56 PolarHBondContact O-N 3.05Å; V31-L56 WeakPolarHBondContact CA-O 3.44Å; V31-L56 HydrophobicContact CG2-CB 4.22Å; A32-L56 PolarHBondContact N-O 2.82Å; K54-L56 HydrophobicContact CD-CD2 4.34Å; K54-L56 HydrophobicContact CG-CD2 4.12Å; L56-E58 VanDerWaalsContact C-N 3.32Å; L56-E58 PolarHBondContact O-N 3.13Å; L56-L79 HydrophobicContact CB-CB 4.38Å; L56-L80 HydrophobicContact CD1-CD1 4.46Å; L56-E83 HydrophobicContact CD1-CB 3.95Å; L56-E83 HydrophobicContact CD1-CG 4.18Å; L56-E83 HydrophobicContact CD2-CB 4.08Å; L56-E83 HydrophobicContact CD2-CG 3.73Å
57	G	93.5	Very high	91.6	Very high	16 Å²	16	67.7 Å²	67.7	17%	0.165	37%	0.373	C	S	.	.	S	Bend	trans	79.2	7.1	176.4	0	0	0	0	0	115.2	A32 T33 G59 S60	A32-G57 CarbonylContact O-C 3.53Å; T33-G57 WeakPolarHBondContact CA-O 3.21Å; G57-G59 PolarHBondContact O-N 2.89Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.37Å; G57-S60 PolarHBondContact O-N 3.23Å; G57-S60 PolarHBondContact O-OG 2.92Å
58	E	89.4	Confident	90.6	Very high	105 Å²	105	66.5 Å²	66.5	49%	0.491	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	126.3	179.6	-175.4	170.7	-131.4	0	0	111.5	A32 K35 L56 S60	A32-E58 WeakPolarHBondContact O-CA 3.43Å; A32-E58 PolarHBondContact O-N 3.24Å; K35-E58 WeakPolarHBondContact CE-OE1 3.15Å; K35-E58 WeakPolarHBondContact CG-OE1 3.25Å; K35-E58 IonicContact NZ-OE1 2.99Å; L56-E58 VanDerWaalsContact C-N 3.32Å; L56-E58 PolarHBondContact O-N 3.13Å; E58-S60 PolarHBondContact O-N 2.85Å
59	G	87.8	Confident	89.7	Confident	70 Å²	70	72.2 Å²	72.2	72%	0.722	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-3.3	-177.4	0	0	0	0	0	114.8	T33 G57	T33-G59 PolarHBondContact O-N 2.86Å; T33-G59 VanDerWaalsContact O-N 3.16Å; G57-G59 PolarHBondContact O-N 2.89Å
60	S	89.3	Confident	89.2	Confident	43 Å²	43	74.7 Å²	74.7	30%	0.301	42%	0.42	S	S	.	.	S	Bend	trans	-81.8	154.5	172.7	75.8	0	0	0	0	111.7	T33 G57 E58	T33-S60 WeakPolarHBondContact CB-O 3.37Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.37Å; G57-S60 PolarHBondContact O-N 3.23Å; G57-S60 PolarHBondContact O-OG 2.92Å; E58-S60 PolarHBondContact O-N 2.85Å
61	H	89.5	Confident	88.8	Confident	163 Å²	163	75.2 Å²	75.2	76%	0.755	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-74.6	131.3	170.6	-69.6	-66.1	0	0	0	110.4	K63 Q75	H61-K63 PolarHBondContact O-N 2.92Å; H61-Q75 PolarHBondContact O-NE2 2.96Å
62	W	90.2	Very high	88.7	Confident	87 Å²	87	74.7 Å²	74.7	33%	0.33	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-69.2	118.2	172	-178.5	-104.4	0	0	0	110.5	V31 T33 G64 G65 V67 Q75 K76	V31-W62 HydrophobicContact CG1-CZ3 4.21Å; T33-W62 HydrophobicContact CG2-CB 3.95Å; T33-W62 HydrophobicContact CG2-CE3 3.77Å; W62-G64 VanDerWaalsContact CE2-CA 3.48Å; W62-G65 PolarHBondContact NE1-O 3.05Å; W62-V67 HydrophobicContact CZ2-CG1 3.76Å; W62-V67 HydrophobicContact CZ2-CG2 4.24Å; W62-Q75 HydrophobicContact CZ3-CB 4.43Å; W62-K76 HydrophobicContact CH2-CD 4.23Å; W62-K76 HydrophobicContact CH2-CG 3.77Å; W62-K76 HydrophobicContact CZ3-CG 3.96Å
63	K	91.4	Very high	88.5	Confident	131 Å²	131	68.6 Å²	68.6	57%	0.57	39%	0.385	S	S	*	.			trans	-111.4	-0.2	176.3	-63.7	176.1	-175.1	174	0	112.2	H61 G65 D175	H61-K63 PolarHBondContact O-N 2.92Å; K63-G65 PolarHBondContact O-N 2.95Å; K63-D175 HydrophobicContact CB-CB 3.86Å; K63-D175 WeakPolarHBondContact CD-OD2 3.41Å
64	G	87.9	Confident	88.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.372	C	S	.	.	S	Bend	trans	-74.7	21.8	-175.7	0	0	0	0	0	116.7	W62 G72 G73 D175	W62-G64 VanDerWaalsContact CE2-CA 3.48Å; G64-G72 CarbonylContact O-C 3.55Å; G64-G72 WeakPolarHBondContact O-CA 3.32Å; G64-G73 PolarHBondContact O-N 3.31Å; G64-D175 VanDerWaalsContact CA-O 3.23Å; G64-D175 WeakPolarHBondContact CA-O 3.44Å
65	G	83.9	Confident	88.4	Confident	28 Å²	28	63.7 Å²	63.7	29%	0.289	36%	0.36	S	S	.	.			trans	68.9	-174.2	-176.8	0	0	0	0	0	114.3	W62 K63 V67	W62-G65 PolarHBondContact NE1-O 3.05Å; K63-G65 PolarHBondContact O-N 2.95Å; G65-V67 PolarHBondContact O-N 3.28Å
66	H	80.8	Confident	88.4	Confident	150 Å²	150	62.9 Å²	62.9	69%	0.694	35%	0.354	S	S	*	.			trans	-90.5	71.6	-179.6	-68.7	-65.8	0	0	0	111.5	A68 K69 S70	H66-A68 PolarHBondContact O-N 3.48Å; H66-K69 HydrophobicContact CB-CB 4.45Å; H66-K69 PolarHBondContact O-N 3.33Å; H66-S70 PolarHBondContact O-N 2.84Å; H66-S70 PolarHBondContact O-OG 2.82Å
67	V	78.6	Confident	88.4	Confident	78 Å²	78	62.4 Å²	62.4	47%	0.473	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.4	-176.1	-66.7	0	0	0	0	115.4	W62 G65 K69 S70	W62-V67 HydrophobicContact CZ2-CG1 3.76Å; W62-V67 HydrophobicContact CZ2-CG2 4.24Å; G65-V67 PolarHBondContact O-N 3.28Å; V67-K69 VanDerWaalsContact C-N 3.35Å; V67-S70 WeakPolarHBondContact CA-O 3.39Å
68	A	75	Confident	88.6	Confident	102 Å²	102	63 Å²	63	84%	0.843	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.8	174	0	0	0	0	0	113.7	H66	H66-A68 PolarHBondContact O-N 3.48Å
69	K	75.9	Confident	89	Confident	183 Å²	183	59.4 Å²	59.4	80%	0.796	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-25.1	-175.3	-66.5	-173.8	179.4	-179.4	0	113.6	H66 V67	H66-K69 HydrophobicContact CB-CB 4.45Å; H66-K69 PolarHBondContact O-N 3.33Å; V67-K69 VanDerWaalsContact C-N 3.35Å
70	S	83.5	Confident	89.4	Confident	57 Å²	57	56.1 Å²	56.1	40%	0.399	30%	0.3	S	S	.	.	S	Bend	trans	-148.2	-179.6	-174	66.9	0	0	0	0	111.5	H66 V67	H66-S70 PolarHBondContact O-N 2.84Å; H66-S70 PolarHBondContact O-OG 2.82Å; V67-S70 WeakPolarHBondContact CA-O 3.39Å
71	T	87.6	Confident	89.7	Confident	64 Å²	64	57 Å²	57	39%	0.393	30%	0.299	S	S	.	.	S	Bend	trans	-58.1	158.1	166.2	51.9	0	0	0	0	112.7	W132 P133 D178	T71-W132 HydrophobicContact CG2-CH2 3.86Å; T71-W132 HydrophobicContact CG2-CZ2 3.81Å; T71-P133 HydrophobicContact CG2-CB 3.42Å; T71-P133 VanDerWaalsContact CG2-CB 3.42Å; T71-P133 HydrophobicContact CG2-CG 3.9Å; T71-D178 VanDerWaalsContact CA-OD1 3.26Å; T71-D178 WeakPolarHBondContact CA-OD1 3.3Å; T71-D178 WeakPolarHBondContact CB-OD1 3.39Å; T71-D178 HydrophobicContact CG2-CB 4.3Å; T71-D178 WeakPolarHBondContact CG2-OD1 3.26Å
72	G	93	Very high	90	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.01	29%	0.291	C	S	.	.			trans	156.1	-156.4	176.4	0	0	0	0	0	112.5	G64 D177 D178 D179	G64-G72 CarbonylContact O-C 3.55Å; G64-G72 WeakPolarHBondContact O-CA 3.32Å; G72-D177 CarbonylContact C-O 3.48Å; G72-D177 WeakPolarHBondContact CA-O 3.46Å; G72-D178 PolarHBondContact N-OD1 3.23Å; G72-D178 VanDerWaalsContact N-OD1 3.09Å; G72-D178 WeakPolarHBondContact O-CA 3.47Å; G72-D179 PolarHBondContact O-N 3.46Å; G72-D179 VanDerWaalsContact O-N 3.08Å
73	G	93.4	Very high	90.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	89.6	1.5	174.8	0	0	0	0	0	115.3	G64 Q75 K76 D177	G64-G73 PolarHBondContact O-N 3.31Å; G73-Q75 PolarHBondContact O-N 2.92Å; G73-Q75 VanDerWaalsContact O-N 3.09Å; G73-K76 WeakPolarHBondContact O-CB 3.25Å; G73-K76 WeakPolarHBondContact O-CG 3.44Å; G73-K76 PolarHBondContact O-N 3.49Å; G73-D177 PolarHBondContact N-O 3.22Å
74	G	96.1	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-55.2	-27.4	176.5	0	0	0	0	0	114.3	K76 V77 N78 D175 D177	G74-K76 PolarHBondContact O-N 3.06Å; G74-V77 WeakPolarHBondContact O-CB 3.24Å; G74-V77 PolarHBondContact O-N 3.03Å; G74-N78 PolarHBondContact O-N 3.2Å; G74-D175 CarbonylContact C-O 3.57Å; G74-D175 WeakPolarHBondContact CA-O 3.47Å; G74-D175 PolarHBondContact N-O 3.37Å; G74-D175 VanDerWaalsContact N-O 3.11Å; G74-D177 WeakPolarHBondContact CA-O 3.24Å; G74-D177 PolarHBondContact N-O 3.01Å
75	Q	96.4	Very high	90.8	Very high	12 Å²	12	49 Å²	49	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-54.6	-34.3	170.4	-170.2	-178	12.3	0	0	112	H61 W62 G73 V77 N78 L79 D175	H61-Q75 PolarHBondContact O-NE2 2.96Å; W62-Q75 HydrophobicContact CZ3-CB 4.43Å; G73-Q75 PolarHBondContact O-N 2.92Å; G73-Q75 VanDerWaalsContact O-N 3.09Å; Q75-V77 VanDerWaalsContact C-N 3.34Å; Q75-V77 PolarHBondContact O-N 3.06Å; Q75-N78 PolarHBondContact O-N 3.05Å; Q75-L79 HydrophobicContact CG-CD1 4.11Å; Q75-L79 HydrophobicContact CG-CG 4.33Å; Q75-L79 WeakPolarHBondContact O-CB 3.44Å; Q75-L79 VanDerWaalsContact O-CG 3.27Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 3.13Å; Q75-D175 HydrophobicContact CB-CB 4.01Å; Q75-D175 PolarHBondContact N-O 3.11Å
76	K	96.7	Very high	91.3	Very high	19 Å²	19	53.4 Å²	53.4	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-44	175.9	-61.7	-172.7	-65	174.9	0	111.2	V31 W62 G73 G74 L79 L80 F97 D99 D179	V31-K76 HydrophobicContact CB-CB 4.48Å; V31-K76 HydrophobicContact CB-CD 4.35Å; V31-K76 HydrophobicContact CB-CG 3.95Å; V31-K76 HydrophobicContact CG1-CG 4.04Å; V31-K76 HydrophobicContact CG2-CB 3.92Å; V31-K76 HydrophobicContact CG2-CG 3.96Å; W62-K76 HydrophobicContact CH2-CD 4.23Å; W62-K76 HydrophobicContact CH2-CG 3.77Å; W62-K76 HydrophobicContact CZ3-CG 3.96Å; G73-K76 WeakPolarHBondContact O-CB 3.25Å; G73-K76 WeakPolarHBondContact O-CG 3.44Å; G73-K76 PolarHBondContact O-N 3.49Å; G74-K76 PolarHBondContact O-N 3.06Å; K76-L79 PolarHBondContact O-N 3.39Å; K76-L80 WeakPolarHBondContact O-CB 3.47Å; K76-L80 PolarHBondContact O-N 3.45Å; K76-F97 HydrophobicContact CB-CZ 4.18Å; K76-D99 IonicContact NZ-OD1 2.73Å; K76-D99 PolarHBondContact NZ-OD1 2.84Å; K76-D99 IonicContact NZ-OD2 3.31Å; K76-D99 PolarHBondContact NZ-OD2 2.75Å; K76-D179 WeakPolarHBondContact CE-OD2 3.3Å; K76-D179 IonicContact NZ-OD2 2.7Å; K76-D179 PolarHBondContact NZ-OD2 3.02Å
77	V	97.3	Very high	91.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-43.8	178	-173.8	0	0	0	0	110.2	G74 Q75 L80 K81 I173 D179 Y182 Y183	G74-V77 WeakPolarHBondContact O-CB 3.24Å; G74-V77 PolarHBondContact O-N 3.03Å; Q75-V77 VanDerWaalsContact C-N 3.34Å; Q75-V77 PolarHBondContact O-N 3.06Å; V77-L80 PolarHBondContact O-N 3.45Å; V77-K81 VanDerWaalsContact O-CB 3.25Å; V77-K81 WeakPolarHBondContact O-CB 3.35Å; V77-K81 PolarHBondContact O-N 3.13Å; V77-I173 HydrophobicContact CB-CD1 4.49Å; V77-I173 HydrophobicContact CB-CG2 3.96Å; V77-I173 HydrophobicContact CG1-CG2 3.96Å; V77-I173 HydrophobicContact CG2-CD1 4.2Å; V77-D179 HydrophobicContact CG2-CB 3.74Å; V77-Y182 HydrophobicContact CG1-CD1 4.23Å; V77-Y182 HydrophobicContact CG1-CE1 3.94Å; V77-Y183 HydrophobicContact CG2-CE2 3.85Å
78	N	97.3	Very high	92.1	Very high	30 Å²	30	50.9 Å²	50.9	16%	0.16	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-44.7	177.7	-73.6	-29.8	0	0	0	112.2	G74 Q75 L80 K81 E82 I173 D175	G74-N78 PolarHBondContact O-N 3.2Å; Q75-N78 PolarHBondContact O-N 3.05Å; N78-L80 PolarHBondContact O-N 3.22Å; N78-K81 WeakPolarHBondContact O-CB 3.27Å; N78-K81 PolarHBondContact O-N 3.22Å; N78-E82 WeakPolarHBondContact O-CG 3.48Å; N78-E82 PolarHBondContact O-N 3.43Å; N78-I173 PolarHBondContact ND2-O 2.9Å; N78-I173 WeakPolarHBondContact OD1-CG2 3.32Å; N78-I173 PolarHBondContact OD1-O 3.47Å; N78-D175 PolarHBondContact ND2-OD1 3.31Å
79	L	96.9	Very high	92.9	Very high	29 Å²	29	47.4 Å²	47.4	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-42.3	175.3	-72.5	170.6	0	0	0	112.1	V31 L56 Q75 K76 E82 E83	V31-L79 HydrophobicContact CG1-CD1 3.8Å; V31-L79 HydrophobicContact CG2-CD1 4.33Å; L56-L79 HydrophobicContact CB-CB 4.38Å; Q75-L79 HydrophobicContact CG-CD1 4.11Å; Q75-L79 HydrophobicContact CG-CG 4.33Å; Q75-L79 WeakPolarHBondContact O-CB 3.44Å; Q75-L79 VanDerWaalsContact O-CG 3.27Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 3.13Å; K76-L79 PolarHBondContact O-N 3.39Å; L79-E82 PolarHBondContact O-N 3.41Å; L79-E83 WeakPolarHBondContact O-CB 3.36Å; L79-E83 PolarHBondContact O-N 3.21Å
80	L	97	Very high	93.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-42.5	176.1	-179.7	60.7	0	0	0	111.4	L29 L56 K76 V77 N78 E83 L84 F97 F157 V168	L29-L80 HydrophobicContact CB-CD1 4.32Å; L29-L80 HydrophobicContact CD1-CD1 3.52Å; L56-L80 HydrophobicContact CD1-CD1 4.46Å; K76-L80 WeakPolarHBondContact O-CB 3.47Å; K76-L80 PolarHBondContact O-N 3.45Å; V77-L80 PolarHBondContact O-N 3.45Å; N78-L80 PolarHBondContact O-N 3.22Å; L80-E83 PolarHBondContact O-N 3.07Å; L80-L84 HydrophobicContact CD1-CD1 3.96Å; L80-L84 HydrophobicContact CD1-CG 4.01Å; L80-L84 HydrophobicContact CG-CD1 4Å; L80-L84 HydrophobicContact CG-CG 4.4Å; L80-L84 WeakPolarHBondContact O-CB 3.36Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.27Å; L80-L84 PolarHBondContact O-N 2.93Å; L80-F97 HydrophobicContact CB-CE2 4.33Å; L80-F97 HydrophobicContact CD1-CD2 3.91Å; L80-F97 HydrophobicContact CD1-CE2 4.41Å; L80-F97 HydrophobicContact CD2-CB 4.45Å; L80-F97 HydrophobicContact CD2-CD2 3.68Å; L80-F97 HydrophobicContact CD2-CE2 4.12Å; L80-F97 HydrophobicContact CD2-CG 4.08Å; L80-F97 HydrophobicContact CG-CD2 4.25Å; L80-F157 HydrophobicContact CD2-CE2 4.06Å; L80-F157 HydrophobicContact CD2-CZ 3.72Å; L80-V168 HydrophobicContact CD2-CG1 3.78Å; L80-V168 HydrophobicContact CG-CG1 4.12Å
81	K	96.3	Very high	94.1	Very high	62 Å²	62	46.2 Å²	46.2	27%	0.27	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-48.3	175.5	171.1	177.4	170.3	157.8	0	111.8	V77 N78 E83 A85 V168 N169	V77-K81 VanDerWaalsContact O-CB 3.25Å; V77-K81 WeakPolarHBondContact O-CB 3.35Å; V77-K81 PolarHBondContact O-N 3.13Å; N78-K81 WeakPolarHBondContact O-CB 3.27Å; N78-K81 PolarHBondContact O-N 3.22Å; K81-E83 VanDerWaalsContact C-N 3.31Å; K81-E83 PolarHBondContact O-N 3.38Å; K81-A85 VanDerWaalsContact O-CB 3.27Å; K81-A85 WeakPolarHBondContact O-CB 3.3Å; K81-A85 PolarHBondContact O-N 3.19Å; K81-V168 HydrophobicContact CB-CB 4.21Å; K81-V168 HydrophobicContact CB-CG2 3.97Å; K81-V168 HydrophobicContact CG-CG2 4.38Å; K81-N169 WeakPolarHBondContact CD-OD1 3.39Å; K81-N169 WeakPolarHBondContact CE-OD1 3.39Å; K81-N169 PolarHBondContact NZ-OD1 3.32Å
82	E	95.6	Very high	94.4	Very high	126 Å²	126	48.4 Å²	48.4	59%	0.589	27%	0.267	S	S	*	.	H	α-helix	trans	-60.7	-41.1	176.3	-74.3	175.9	-174.1	0	0	111.9	N78 L79 A85	N78-E82 WeakPolarHBondContact O-CG 3.48Å; N78-E82 PolarHBondContact O-N 3.43Å; L79-E82 PolarHBondContact O-N 3.41Å; E82-A85 PolarHBondContact O-N 2.97Å
83	E	96.7	Very high	94.5	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-49.6	179.1	-179.4	55.3	-139.1	0	0	112.1	L29 K54 L56 L79 L80 K81 A85 K86 Y89	L29-E83 HydrophobicContact CD1-CG 4.26Å; K54-E83 WeakPolarHBondContact CE-OE1 3.34Å; K54-E83 WeakPolarHBondContact CE-OE2 3.12Å; K54-E83 VanDerWaalsContact NZ-CD 3.31Å; K54-E83 IonicContact NZ-OE1 3.13Å; K54-E83 PolarHBondContact NZ-OE1 2.91Å; K54-E83 IonicContact NZ-OE2 2.82Å; K54-E83 PolarHBondContact NZ-OE2 2.92Å; L56-E83 HydrophobicContact CD1-CB 3.95Å; L56-E83 HydrophobicContact CD1-CG 4.18Å; L56-E83 HydrophobicContact CD2-CB 4.08Å; L56-E83 HydrophobicContact CD2-CG 3.73Å; L79-E83 WeakPolarHBondContact O-CB 3.36Å; L79-E83 PolarHBondContact O-N 3.21Å; L80-E83 PolarHBondContact O-N 3.07Å; K81-E83 VanDerWaalsContact C-N 3.31Å; K81-E83 PolarHBondContact O-N 3.38Å; E83-A85 PolarHBondContact O-N 3.48Å; E83-K86 WeakPolarHBondContact O-CB 3.45Å; E83-K86 PolarHBondContact O-N 3.21Å; E83-K86 IonicContact OE2-NZ 3.03Å; E83-K86 PolarHBondContact OE2-NZ 3.33Å; E83-Y89 HydrophobicContact CG-CE2 4.16Å; E83-Y89 PolarHBondContact OE1-OH 3.37Å
84	L	95.9	Very high	94.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-25.6	-180	-64.7	177.4	0	0	0	112.5	L29 L80 K86 Y89 I95 T161 L164 I165 V168	L29-L84 HydrophobicContact CD1-CD2 4.07Å; L80-L84 HydrophobicContact CD1-CD1 3.96Å; L80-L84 HydrophobicContact CD1-CG 4.01Å; L80-L84 HydrophobicContact CG-CD1 4Å; L80-L84 HydrophobicContact CG-CG 4.4Å; L80-L84 WeakPolarHBondContact O-CB 3.36Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.27Å; L80-L84 PolarHBondContact O-N 2.93Å; L84-K86 PolarHBondContact O-N 3.44Å; L84-Y89 HydrophobicContact CD2-CD2 4.02Å; L84-Y89 HydrophobicContact CD2-CE2 4.26Å; L84-I95 HydrophobicContact CD2-CG1 4.3Å; L84-T161 HydrophobicContact CD2-CG2 4.27Å; L84-L164 HydrophobicContact CD1-CB 3.92Å; L84-I165 HydrophobicContact CB-CD1 4.48Å; L84-I165 HydrophobicContact CB-CG1 3.76Å; L84-I165 HydrophobicContact CD1-CG1 4.35Å; L84-V168 HydrophobicContact CD1-CG2 4.23Å
85	A	93.8	Very high	94.8	Very high	78 Å²	78	50.8 Å²	50.8	65%	0.645	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.6	177	0	0	0	0	0	114.1	K81 E82 E83 G87	K81-A85 VanDerWaalsContact O-CB 3.27Å; K81-A85 WeakPolarHBondContact O-CB 3.3Å; K81-A85 PolarHBondContact O-N 3.19Å; E82-A85 PolarHBondContact O-N 2.97Å; E83-A85 PolarHBondContact O-N 3.48Å; A85-G87 PolarHBondContact O-N 3.03Å
86	K	93.5	Very high	94.9	Very high	121 Å²	121	50.2 Å²	50.2	53%	0.526	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.9	178.4	-67.1	173.2	-175.7	170.1	0	113.1	E83 L84 D88	E83-K86 WeakPolarHBondContact O-CB 3.45Å; E83-K86 PolarHBondContact O-N 3.21Å; E83-K86 IonicContact OE2-NZ 3.03Å; E83-K86 PolarHBondContact OE2-NZ 3.33Å; L84-K86 PolarHBondContact O-N 3.44Å; K86-D88 VanDerWaalsContact C-N 3.34Å
87	G	85.7	Confident	95	Very high	60 Å²	60	49.5 Å²	49.5	62%	0.619	27%	0.272	S	S	*	.			trans	78.6	14.8	177.9	0	0	0	0	0	114.7	A85 Y89	A85-G87 PolarHBondContact O-N 3.03Å; G87-Y89 VanDerWaalsContact C-N 3.28Å; G87-Y89 PolarHBondContact O-N 2.94Å
88	D	89.6	Confident	95	Very high	115 Å²	115	49.5 Å²	49.5	62%	0.615	27%	0.272	S	S	*	.			trans	-78	-9.4	-178.3	-64.8	-34.5	0	0	0	113.7	K86	K86-D88 VanDerWaalsContact C-N 3.34Å
89	Y	91.9	Very high	95	Very high	30 Å²	30	49.4 Å²	49.4	12%	0.118	27%	0.272	C	S	.	.	S	Bend	trans	-109.3	139.8	-172.3	-52.6	-64.4	0	0	0	111.6	L27 K54 E83 L84 G87 I95 T161	L27-Y89 HydrophobicContact CD2-CD1 3.93Å; L27-Y89 HydrophobicContact CD2-CE1 3.22Å; K54-Y89 PolarHBondContact NZ-OH 3.38Å; E83-Y89 HydrophobicContact CG-CE2 4.16Å; E83-Y89 PolarHBondContact OE1-OH 3.37Å; L84-Y89 HydrophobicContact CD2-CD2 4.02Å; L84-Y89 HydrophobicContact CD2-CE2 4.26Å; G87-Y89 VanDerWaalsContact C-N 3.28Å; G87-Y89 PolarHBondContact O-N 2.94Å; Y89-I95 HydrophobicContact CD1-CD1 4.33Å; Y89-I95 HydrophobicContact CG-CD1 4.42Å; Y89-T161 HydrophobicContact CG-CG2 4.49Å
90	K	93.2	Very high	95	Very high	124 Å²	124	48.2 Å²	48.2	54%	0.539	27%	0.266	S	S	.	.			trans	-67	146.2	176.2	-59	176	-172.9	162.8	0	110.1	D92 Q93 T161	K90-D92 WeakPolarHBondContact CB-OD1 3.36Å; K90-D92 PolarHBondContact O-N 2.84Å; K90-D92 VanDerWaalsContact O-N 3.13Å; K90-Q93 HydrophobicContact CB-CB 4.09Å; K90-Q93 VanDerWaalsContact O-CB 3.3Å; K90-Q93 WeakPolarHBondContact O-CB 3.48Å; K90-Q93 PolarHBondContact O-N 3.22Å; K90-T161 VanDerWaalsContact O-CB 3.24Å; K90-T161 WeakPolarHBondContact O-CB 3.49Å; K90-T161 PolarHBondContact O-OG1 2.88Å
91	P	93.2	Very high	94.9	Very high	90 Å²	90	50.9 Å²	50.9	58%	0.584	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.5	179.8	-29.7	36.9	0	0	0	114.8	T161 A162	P91-T161 PolarHBondContact O-N 2.95Å; P91-A162 HydrophobicContact CB-CB 4.02Å; P91-A162 VanDerWaalsContact O-CB 3.3Å; P91-A162 WeakPolarHBondContact O-CB 3.43Å; P91-A162 PolarHBondContact O-N 3.15Å
92	D	93.2	Very high	95	Very high	111 Å²	111	48.6 Å²	48.6	59%	0.594	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-6.5	-178.3	60.8	-28.5	0	0	0	114.2	K90 L94	K90-D92 WeakPolarHBondContact CB-OD1 3.36Å; K90-D92 PolarHBondContact O-N 2.84Å; K90-D92 VanDerWaalsContact O-N 3.13Å; D92-L94 PolarHBondContact O-N 3.23Å
93	Q	95.2	Very high	95.1	Very high	30 Å²	30	42.7 Å²	42.7	14%	0.14	24%	0.239	C	C	.	.			trans	-60.2	134.9	173.7	-174.7	178.5	-6.5	0	0	109.8	D25 K90 P160 T161	D25-Q93 VanDerWaalsContact O-CG 3.24Å; D25-Q93 WeakPolarHBondContact O-CG 3.47Å; K90-Q93 HydrophobicContact CB-CB 4.09Å; K90-Q93 VanDerWaalsContact O-CB 3.3Å; K90-Q93 WeakPolarHBondContact O-CB 3.48Å; K90-Q93 PolarHBondContact O-N 3.22Å; Q93-P160 CarbonylContact O-C 3.54Å; Q93-P160 WeakPolarHBondContact O-CA 3.27Å; Q93-T161 PolarHBondContact O-N 3.45Å; Q93-T161 PolarHBondContact O-OG1 3.21Å
94	L	97.1	Very high	95.2	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.2	177.3	-67.7	178.3	0	0	0	110	D25 V26 L27 D92 L113 Y116 P160	D25-L94 PolarHBondContact O-N 2.83Å; D25-L94 VanDerWaalsContact O-O 3.12Å; V26-L94 WeakPolarHBondContact CA-O 3.43Å; V26-L94 HydrophobicContact CG2-CB 4.12Å; V26-L94 HydrophobicContact CG2-CD1 4.25Å; L27-L94 PolarHBondContact N-O 2.97Å; D92-L94 PolarHBondContact O-N 3.23Å; L94-L113 HydrophobicContact CD1-CD2 3.7Å; L94-Y116 HydrophobicContact CD1-CD1 3.88Å; L94-Y116 HydrophobicContact CD1-CE1 3.65Å; L94-Y116 HydrophobicContact CD2-CE1 3.75Å; L94-Y116 HydrophobicContact CD2-CE2 4.47Å; L94-Y116 WeakPolarHBondContact CD2-OH 3.4Å; L94-Y116 HydrophobicContact CG-CE1 4.38Å; L94-P160 HydrophobicContact CD2-CG 4.13Å
95	I	97.9	Very high	95.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	172.5	-59.9	-58	0	0	0	107.3	L27 L29 L84 Y89 I158 G159 L164	L27-I95 HydrophobicContact CB-CD1 3.91Å; L27-I95 HydrophobicContact CD2-CD1 4.1Å; L27-I95 HydrophobicContact CG-CD1 4.41Å; L27-I95 WeakPolarHBondContact O-CA 3.32Å; L29-I95 HydrophobicContact CB-CG2 4.38Å; L29-I95 HydrophobicContact CD1-CG2 3.62Å; L29-I95 HydrophobicContact CG-CG2 3.86Å; L84-I95 HydrophobicContact CD2-CG1 4.3Å; Y89-I95 HydrophobicContact CD1-CD1 4.33Å; Y89-I95 HydrophobicContact CG-CD1 4.42Å; I95-I158 WeakPolarHBondContact O-CA 3.3Å; I95-G159 PolarHBondContact N-O 2.99Å; I95-G159 PolarHBondContact O-N 3.48Å; I95-L164 HydrophobicContact CB-CD1 3.56Å; I95-L164 HydrophobicContact CG1-CD1 4.48Å; I95-L164 HydrophobicContact CG2-CD1 3.68Å
96	L	98.3	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	107.8	170.8	168.8	59.3	0	0	0	107.6	V26 L27 V28 L29 F51 V98 F105 L112 F157 I158 F207 I239	V26-L96 HydrophobicContact CG1-CB 4.33Å; L27-L96 PolarHBondContact O-N 3.01Å; V28-L96 CarbonylContact C-O 3.56Å; V28-L96 VanDerWaalsContact CA-O 3.27Å; V28-L96 WeakPolarHBondContact CA-O 3.25Å; V28-L96 HydrophobicContact CG2-CB 4.37Å; V28-L96 HydrophobicContact CG2-CD2 4.03Å; V28-L96 HydrophobicContact CG2-CG 4.36Å; L29-L96 PolarHBondContact N-O 2.87Å; F51-L96 HydrophobicContact CE1-CD2 4.4Å; L96-V98 HydrophobicContact CD1-CG1 3.83Å; L96-V98 HydrophobicContact CG-CG1 4.13Å; L96-F105 HydrophobicContact CD2-CE1 3.69Å; L96-F105 HydrophobicContact CD2-CZ 3.78Å; L96-L112 HydrophobicContact CD2-CD2 3.86Å; L96-F157 CarbonylContact C-O 3.51Å; L96-I158 HydrophobicContact CB-CB 4.41Å; L96-I158 HydrophobicContact CB-CD1 4.26Å; L96-I158 HydrophobicContact CB-CG1 4.25Å; L96-I158 HydrophobicContact CD1-CB 3.99Å; L96-F207 HydrophobicContact CD1-CE1 3.72Å; L96-F207 HydrophobicContact CD1-CZ 3.68Å; L96-I239 HydrophobicContact CD1-CD1 4.12Å; L96-I239 HydrophobicContact CD2-CD1 3.78Å
97	F	98.6	Very high	95.5	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.8	170.3	-174.5	-89.6	0	0	0	109.8	L29 V31 K76 L80 G156 F157	L29-F97 HydrophobicContact CB-CD2 4.24Å; L29-F97 VanDerWaalsContact O-CA 3.3Å; L29-F97 WeakPolarHBondContact O-CA 3.42Å; V31-F97 HydrophobicContact CG2-CE2 4.02Å; V31-F97 HydrophobicContact CG2-CZ 4.04Å; K76-F97 HydrophobicContact CB-CZ 4.18Å; L80-F97 HydrophobicContact CB-CE2 4.33Å; L80-F97 HydrophobicContact CD1-CD2 3.91Å; L80-F97 HydrophobicContact CD1-CE2 4.41Å; L80-F97 HydrophobicContact CD2-CB 4.45Å; L80-F97 HydrophobicContact CD2-CD2 3.68Å; L80-F97 HydrophobicContact CD2-CE2 4.12Å; L80-F97 HydrophobicContact CD2-CG 4.08Å; L80-F97 HydrophobicContact CG-CD2 4.25Å; F97-G156 CarbonylContact O-C 3.47Å; F97-G156 WeakPolarHBondContact O-CA 3.22Å; F97-F157 HydrophobicContact CB-CD1 4.27Å; F97-F157 HydrophobicContact CB-CD2 3.89Å; F97-F157 HydrophobicContact CB-CE1 3.86Å; F97-F157 HydrophobicContact CB-CE2 3.43Å; F97-F157 VanDerWaalsContact CB-CE2 3.43Å; F97-F157 HydrophobicContact CB-CG 4.29Å; F97-F157 HydrophobicContact CB-CZ 3.42Å; F97-F157 VanDerWaalsContact CB-CZ 3.42Å; F97-F157 HydrophobicContact CD1-CD1 4.06Å; F97-F157 AromaticContact CD1-CE1 3.31Å; F97-F157 HydrophobicContact CD1-CE1 3.31Å; F97-F157 HydrophobicContact CD1-CE2 4.41Å; F97-F157 AromaticContact CD1-CZ 3.52Å; F97-F157 HydrophobicContact CD1-CZ 3.52Å; F97-F157 HydrophobicContact CD2-CZ 4.4Å; F97-F157 HydrophobicContact CE1-CE1 4.12Å; F97-F157 HydrophobicContact CE1-CZ 4.41Å; F97-F157 AromaticContact CG-CE1 3.81Å; F97-F157 HydrophobicContact CG-CE1 3.81Å; F97-F157 HydrophobicContact CG-CE2 4.07Å; F97-F157 AromaticContact CG-CZ 3.51Å; F97-F157 HydrophobicContact CG-CZ 3.51Å; F97-F157 PolarHBondContact N-O 3.34Å; F97-F157 PolarHBondContact O-N 3.03Å
98	V	98.4	Very high	96	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.6	172.9	-69.1	0	0	0	0	110.5	V28 L29 T30 F42 L96 V103 F105 G155 F207 I239	V28-V98 HydrophobicContact CG1-CG2 3.82Å; L29-V98 PolarHBondContact O-N 2.89Å; L29-V98 VanDerWaalsContact O-N 3.13Å; T30-V98 WeakPolarHBondContact CA-O 3.23Å; T30-V98 WeakPolarHBondContact CB-O 3.42Å; T30-V98 PolarHBondContact OG1-O 3.2Å; F42-V98 HydrophobicContact CE2-CG2 3.61Å; F42-V98 HydrophobicContact CZ-CG2 3.71Å; L96-V98 HydrophobicContact CD1-CG1 3.83Å; L96-V98 HydrophobicContact CG-CG1 4.13Å; V98-V103 HydrophobicContact CB-CG1 4.39Å; V98-F105 HydrophobicContact CG2-CE2 4.17Å; V98-F105 HydrophobicContact CG2-CZ 4.25Å; V98-G155 CarbonylContact C-O 3.52Å; V98-G155 VanDerWaalsContact CA-O 3.24Å; V98-G155 WeakPolarHBondContact CA-O 3.32Å; V98-F207 HydrophobicContact CG1-CE1 4.24Å; V98-I239 HydrophobicContact CG1-CD1 4.14Å
99	D	97.3	Very high	96.3	Very high	28 Å²	28	31 Å²	31	15%	0.15	16%	0.157	C	C	.	.			trans	-65.6	163.2	160.4	-75.2	-11.9	0	0	0	110.2	F42 K76 V103 G155 H241	F42-D99 WeakPolarHBondContact CE2-O 3.11Å; K76-D99 IonicContact NZ-OD1 2.73Å; K76-D99 PolarHBondContact NZ-OD1 2.84Å; K76-D99 IonicContact NZ-OD2 3.31Å; K76-D99 PolarHBondContact NZ-OD2 2.75Å; D99-V103 HydrophobicContact CB-CG2 4.07Å; D99-V103 VanDerWaalsContact O-CB 3.24Å; D99-V103 WeakPolarHBondContact O-CB 3.36Å; D99-V103 WeakPolarHBondContact O-CG2 3.35Å; D99-G155 PolarHBondContact N-O 2.81Å; D99-H241 IonicContact OD2-NE2 3.01Å
100	S	97.1	Very high	96.4	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.028	17%	0.173	C	C	.	.	S	Bend	trans	-108.5	-55.9	-178.6	51.9	0	0	0	0	113.6	T30 V31 F42 D102 V103	T30-S100 VanDerWaalsContact OG1-CB 3.23Å; T30-S100 WeakPolarHBondContact OG1-CB 3.49Å; T30-S100 PolarHBondContact OG1-N 2.99Å; V31-S100 PolarHBondContact O-OG 2.85Å; F42-S100 WeakPolarHBondContact CB-O 3.24Å; S100-D102 PolarHBondContact O-N 3.08Å; S100-D102 VanDerWaalsContact O-N 3.07Å; S100-V103 PolarHBondContact O-N 3.28Å
101	Y	95.3	Very high	96.5	Very high	57 Å²	57	28.9 Å²	28.9	22%	0.224	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.4	-164.8	-62.6	-21	0	0	0	113.8	A32 T33 E34 N36 A38 L39 R41 N481	A32-Y101 HydrophobicContact CB-CE1 3.8Å; T33-Y101 PolarHBondContact N-OH 3.11Å; E34-Y101 PolarHBondContact N-OH 3.1Å; E34-Y101 PolarHBondContact O-OH 3.41Å; N36-Y101 VanDerWaalsContact ND2-CE1 3.29Å; N36-Y101 WeakPolarHBondContact ND2-CE1 3.45Å; A38-Y101 HydrophobicContact CB-CD1 4.27Å; A38-Y101 HydrophobicContact CB-CG 4.33Å; A38-Y101 VanDerWaalsContact CB-O 3.31Å; A38-Y101 WeakPolarHBondContact CB-O 3.36Å; L39-Y101 HydrophobicContact CB-CD1 4.2Å; L39-Y101 HydrophobicContact CB-CE1 4.09Å; R41-Y101 PolarHBondContact NH2-O 2.91Å; Y101-N481 VanDerWaalsContact CD2-ND2 3.34Å; Y101-N481 WeakPolarHBondContact CD2-ND2 3.19Å
102	D	96.8	Very high	96.7	Very high	14 Å²	14	24.6 Å²	24.6	8%	0.075	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	30.8	-177.8	62.4	-50.3	0	0	0	113	S100 H241 G242 N243 K247 F250	S100-D102 PolarHBondContact O-N 3.08Å; S100-D102 VanDerWaalsContact O-N 3.07Å; D102-H241 CarbonylContact O-C 3.59Å; D102-H241 WeakPolarHBondContact O-CA 3.43Å; D102-H241 IonicContact OD1-NE2 3.27Å; D102-H241 IonicContact OD2-CD2 2.95Å; D102-H241 PolarHBondContact OD2-CD2 3.2Å; D102-H241 IonicContact OD2-NE2 2.94Å; D102-H241 PolarHBondContact OD2-NE2 2.89Å; D102-G242 PolarHBondContact O-N 3.24Å; D102-G242 VanDerWaalsContact OD2-C 3.27Å; D102-G242 VanDerWaalsContact OD2-O 3.07Å; D102-N243 PolarHBondContact OD2-N 3.07Å; D102-K247 HydrophobicContact CB-CD 3.91Å; D102-K247 IonicContact OD1-NZ 3.94Å; D102-K247 IonicContact OD2-NZ 3.01Å; D102-K247 PolarHBondContact OD2-NZ 3.38Å; D102-F250 VanDerWaalsContact C-CZ 3.48Å; D102-F250 HydrophobicContact CB-CD1 4.4Å; D102-F250 HydrophobicContact CB-CE1 4.28Å; D102-F250 VanDerWaalsContact O-CE1 3.32Å; D102-F250 WeakPolarHBondContact O-CE1 3.44Å; D102-F250 VanDerWaalsContact O-CZ 3.22Å; D102-F250 WeakPolarHBondContact O-CZ 3.43Å
103	V	98.4	Very high	96.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	-179.9	175.1	0	0	0	0	111	F42 V98 D99 S100 F105 I239 A240 H241	F42-V103 HydrophobicContact CD2-CB 3.9Å; F42-V103 HydrophobicContact CD2-CG1 3.99Å; F42-V103 HydrophobicContact CE2-CB 4.15Å; F42-V103 HydrophobicContact CE2-CG1 3.91Å; V98-V103 HydrophobicContact CB-CG1 4.39Å; D99-V103 HydrophobicContact CB-CG2 4.07Å; D99-V103 VanDerWaalsContact O-CB 3.24Å; D99-V103 WeakPolarHBondContact O-CB 3.36Å; D99-V103 WeakPolarHBondContact O-CG2 3.35Å; S100-V103 PolarHBondContact O-N 3.28Å; V103-F105 HydrophobicContact CG1-CD2 4.47Å; V103-F105 HydrophobicContact CG1-CE2 4.24Å; V103-I239 HydrophobicContact CG1-CG2 3.48Å; V103-I239 VanDerWaalsContact CG1-CG2 3.48Å; V103-A240 WeakPolarHBondContact CA-O 3.5Å; V103-H241 HydrophobicContact CG2-CB 4.27Å
104	V	98.3	Very high	96.9	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.3	175	167.8	0	0	0	0	109.8	R41 A240 F250 L257 A258	R41-V104 HydrophobicContact CG-CG2 3.94Å; V104-A240 PolarHBondContact N-O 2.72Å; V104-A240 PolarHBondContact O-N 2.98Å; V104-F250 HydrophobicContact CB-CE2 4.39Å; V104-F250 HydrophobicContact CB-CZ 4Å; V104-F250 HydrophobicContact CG2-CE1 4.32Å; V104-F250 HydrophobicContact CG2-CE2 4.36Å; V104-F250 HydrophobicContact CG2-CZ 3.63Å; V104-L257 HydrophobicContact CG1-CB 4.01Å; V104-L257 HydrophobicContact CG1-CD1 4.5Å; V104-A258 HydrophobicContact CG1-CB 3.78Å
105	F	98.3	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.9	171.7	-76.2	-108.4	0	0	0	110.5	V28 F42 S45 C46 N49 F51 L96 V98 V103 I239	V28-F105 HydrophobicContact CG1-CZ 4.32Å; V28-F105 HydrophobicContact CG2-CE1 4.46Å; V28-F105 HydrophobicContact CG2-CZ 4.11Å; F42-F105 HydrophobicContact CD2-CE2 4.45Å; F42-F105 HydrophobicContact CE2-CD2 4.28Å; F42-F105 AromaticContact CE2-CE2 3.69Å; F42-F105 HydrophobicContact CE2-CE2 3.69Å; F42-F105 HydrophobicContact CZ-CE2 4.19Å; S45-F105 PolarHBondContact OG-N 2.99Å; C46-F105 WeakPolarHBondContact SG-CD2 3.4Å; C46-F105 WeakPolarHBondContact SG-CE2 3.48Å; N49-F105 HydrophobicContact CB-CB 4.47Å; N49-F105 PolarHBondContact ND2-O 2.91Å; F51-F105 HydrophobicContact CD1-CD1 4.42Å; F51-F105 AromaticContact CD1-CE1 3.98Å; F51-F105 HydrophobicContact CD1-CE1 3.98Å; F51-F105 AromaticContact CD2-CD1 3.56Å; F51-F105 HydrophobicContact CD2-CD1 3.56Å; F51-F105 AromaticContact CD2-CE1 3.94Å; F51-F105 HydrophobicContact CD2-CE1 3.94Å; F51-F105 HydrophobicContact CD2-CG 4.25Å; F51-F105 HydrophobicContact CE1-CD1 4.24Å; F51-F105 AromaticContact CE1-CE1 3.85Å; F51-F105 HydrophobicContact CE1-CE1 3.85Å; F51-F105 AromaticContact CE2-CD1 3.33Å; F51-F105 HydrophobicContact CE2-CD1 3.33Å; F51-F105 AromaticContact CE2-CE1 3.81Å; F51-F105 HydrophobicContact CE2-CE1 3.81Å; F51-F105 HydrophobicContact CE2-CG 4.29Å; F51-F105 HydrophobicContact CG-CD1 4.11Å; F51-F105 HydrophobicContact CG-CE1 4.02Å; F51-F105 AromaticContact CZ-CD1 3.7Å; F51-F105 HydrophobicContact CZ-CD1 3.7Å; F51-F105 AromaticContact CZ-CE1 3.76Å; F51-F105 HydrophobicContact CZ-CE1 3.76Å; L96-F105 HydrophobicContact CD2-CE1 3.69Å; L96-F105 HydrophobicContact CD2-CZ 3.78Å; V98-F105 HydrophobicContact CG2-CE2 4.17Å; V98-F105 HydrophobicContact CG2-CZ 4.25Å; V103-F105 HydrophobicContact CG1-CD2 4.47Å; V103-F105 HydrophobicContact CG1-CE2 4.24Å; F105-I239 HydrophobicContact CD1-CD1 4.32Å; F105-I239 HydrophobicContact CD1-CG1 3.81Å; F105-I239 HydrophobicContact CE1-CD1 3.69Å; F105-I239 HydrophobicContact CE1-CG1 3.7Å; F105-I239 HydrophobicContact CG-CG1 4.3Å; F105-I239 HydrophobicContact CZ-CD1 3.87Å; F105-I239 HydrophobicContact CZ-CG1 4.07Å
106	M	97.3	Very high	96.9	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	13%	0.125	C	C	.	.			trans	-110.3	-17.1	-176.6	-61.2	-178.2	-68.3	0	0	113.2	L228 P237 I238 A240 L257	M106-L228 HydrophobicContact CE-CB 4.04Å; M106-L228 HydrophobicContact CE-CD1 4.3Å; M106-L228 HydrophobicContact CE-CG 4.24Å; M106-L228 HydrophobicContact SD-CB 3.85Å; M106-L228 HydrophobicContact SD-CD1 4.03Å; M106-L228 HydrophobicContact SD-CG 3.6Å; M106-L228 VanDerWaalsContact SD-CG 3.6Å; M106-P237 HydrophobicContact CE-CB 4Å; M106-P237 WeakPolarHBondContact CE-O 3.13Å; M106-I238 PolarHBondContact N-O 3.34Å; M106-A240 HydrophobicContact CE-CB 3.84Å; M106-A240 HydrophobicContact SD-CB 4.02Å; M106-L257 HydrophobicContact CG-CD1 4.34Å; M106-L257 HydrophobicContact CG-CD2 4.34Å; M106-L257 HydrophobicContact SD-CD1 3.92Å; M106-L257 HydrophobicContact SD-CD2 3.84Å; M106-L257 HydrophobicContact SD-CG 4.42Å
107	Q	95.7	Very high	96.7	Very high	44 Å²	44	30.6 Å²	30.6	21%	0.206	15%	0.154	C	C	.	.	S	Bend	trans	-136.4	159.8	-175.8	-64.4	-70.2	-8.3	0	0	110.3	N49 F51 K111 I238	N49-Q107 WeakPolarHBondContact CB-O 3.5Å; N49-Q107 PolarHBondContact OD1-O 2.9Å; F51-Q107 VanDerWaalsContact CE2-O 3.31Å; F51-Q107 WeakPolarHBondContact CE2-O 3.22Å; Q107-K111 HydrophobicContact CB-CB 4.24Å; Q107-K111 HydrophobicContact CB-CG 4.26Å; Q107-K111 HydrophobicContact CG-CG 4.49Å; Q107-I238 HydrophobicContact CB-CB 4.43Å; Q107-I238 HydrophobicContact CB-CD1 3.63Å; Q107-I238 HydrophobicContact CB-CG2 4.1Å; Q107-I238 HydrophobicContact CG-CD1 3.98Å
108	N	95.3	Very high	96.6	Very high	71 Å²	71	35.2 Å²	35.2	38%	0.38	17%	0.174	S	C	.	.			trans	-80.5	168.4	-175.7	66.4	38.8	0	0	0	114.6	N49 A110 K111 L112	N49-N108 VanDerWaalsContact O-CA 3.3Å; N49-N108 WeakPolarHBondContact O-CA 3.4Å; N49-N108 WeakPolarHBondContact O-CB 3.47Å; N108-A110 PolarHBondContact O-N 3.02Å; N108-A110 WeakPolarHBondContact OD1-CB 3.25Å; N108-A110 PolarHBondContact OD1-N 3.23Å; N108-K111 PolarHBondContact O-N 2.99Å; N108-K111 VanDerWaalsContact O-N 3.13Å; N108-K111 PolarHBondContact OD1-N 3.49Å; N108-L112 PolarHBondContact O-N 3.34Å; N108-L112 VanDerWaalsContact O-N 3.12Å
109	V	95	Very high	96.5	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.097	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-35.3	-179.6	-162.3	0	0	0	0	112.9	V26 N49 G50 F51 K111 L112 L113	V26-V109 HydrophobicContact CB-CG1 3.99Å; V26-V109 HydrophobicContact CG2-CG1 4.03Å; N49-V109 PolarHBondContact O-N 2.9Å; G50-V109 VanDerWaalsContact C-CG2 3.46Å; G50-V109 WeakPolarHBondContact O-CG2 3.23Å; F51-V109 HydrophobicContact CD1-CG1 4.43Å; F51-V109 HydrophobicContact CD1-CG2 3.73Å; F51-V109 HydrophobicContact CD2-CG2 4Å; F51-V109 HydrophobicContact CE1-CB 4.09Å; F51-V109 HydrophobicContact CE1-CG1 4.02Å; F51-V109 HydrophobicContact CE1-CG2 3.75Å; F51-V109 HydrophobicContact CE2-CG2 4.01Å; F51-V109 HydrophobicContact CG-CG2 3.86Å; F51-V109 HydrophobicContact CZ-CB 4.19Å; F51-V109 HydrophobicContact CZ-CG2 3.91Å; V109-K111 PolarHBondContact O-N 2.87Å; V109-L112 WeakPolarHBondContact O-CB 3.44Å; V109-L112 PolarHBondContact O-N 3.25Å; V109-L113 WeakPolarHBondContact O-CG 3.46Å; V109-L113 PolarHBondContact O-N 2.96Å
110	A	95.1	Very high	96.4	Very high	55 Å²	55	44.4 Å²	44.4	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-65.9	-40.1	179.4	0	0	0	0	0	111.5	N108 L113 E114	N108-A110 PolarHBondContact O-N 3.02Å; N108-A110 WeakPolarHBondContact OD1-CB 3.25Å; N108-A110 PolarHBondContact OD1-N 3.23Å; A110-L113 PolarHBondContact O-N 3.04Å; A110-E114 PolarHBondContact O-N 3.12Å
111	K	95.6	Very high	96.4	Very high	56 Å²	56	45.4 Å²	45.4	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-36.4	176.5	-171.3	67.3	-161.7	161.5	0	111.9	Q107 N108 V109 E114 E115 I238	Q107-K111 HydrophobicContact CB-CB 4.24Å; Q107-K111 HydrophobicContact CB-CG 4.26Å; Q107-K111 HydrophobicContact CG-CG 4.49Å; N108-K111 PolarHBondContact O-N 2.99Å; N108-K111 VanDerWaalsContact O-N 3.13Å; N108-K111 PolarHBondContact OD1-N 3.49Å; V109-K111 PolarHBondContact O-N 2.87Å; K111-E114 WeakPolarHBondContact CD-OE2 3.19Å; K111-E114 IonicContact NZ-OE1 2.82Å; K111-E114 PolarHBondContact NZ-OE1 3.03Å; K111-E114 IonicContact NZ-OE2 3.65Å; K111-E114 PolarHBondContact NZ-OE2 3.01Å; K111-E114 PolarHBondContact O-N 3.12Å; K111-E115 WeakPolarHBondContact CE-OE1 3.46Å; K111-E115 IonicContact NZ-OE1 3.64Å; K111-E115 PolarHBondContact NZ-OE1 3.45Å; K111-E115 PolarHBondContact O-N 3.21Å; K111-I238 HydrophobicContact CB-CD1 4.03Å; K111-I238 HydrophobicContact CG-CD1 3.51Å
112	L	97.5	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-50.2	171	173.9	67.8	0	0	0	111.5	V26 F51 L96 N108 V109 E114 E115 Y116 I158 I206 I238	V26-L112 HydrophobicContact CG1-CD2 4.1Å; F51-L112 HydrophobicContact CE1-CD2 3.54Å; F51-L112 HydrophobicContact CZ-CB 4.2Å; F51-L112 HydrophobicContact CZ-CD2 3.98Å; L96-L112 HydrophobicContact CD2-CD2 3.86Å; N108-L112 PolarHBondContact O-N 3.34Å; N108-L112 VanDerWaalsContact O-N 3.12Å; V109-L112 WeakPolarHBondContact O-CB 3.44Å; V109-L112 PolarHBondContact O-N 3.25Å; L112-E114 VanDerWaalsContact C-N 3.32Å; L112-E114 PolarHBondContact O-N 2.84Å; L112-E115 PolarHBondContact O-N 3.36Å; L112-Y116 VanDerWaalsContact O-CB 3.27Å; L112-Y116 WeakPolarHBondContact O-CB 3.44Å; L112-Y116 PolarHBondContact O-N 3.49Å; L112-I158 HydrophobicContact CD1-CD1 4.28Å; L112-I158 HydrophobicContact CD2-CD1 3.96Å; L112-I158 HydrophobicContact CG-CD1 4.25Å; L112-I206 HydrophobicContact CD1-CB 4.48Å; L112-I206 HydrophobicContact CD1-CD1 4.11Å; L112-I206 HydrophobicContact CD1-CG1 4.19Å; L112-I206 HydrophobicContact CD1-CG2 3.52Å; L112-I238 HydrophobicContact CB-CG2 4.12Å; L112-I238 HydrophobicContact CD1-CG1 4.36Å; L112-I238 HydrophobicContact CD1-CG2 4.32Å
113	L	95.8	Very high	96.5	Very high	24 Å²	24	47.3 Å²	47.3	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-41.1	179.7	-72.1	172.4	0	0	0	111.7	V26 L94 V109 A110 E115 Y116 E117	V26-L113 HydrophobicContact CG2-CD1 4.42Å; V26-L113 HydrophobicContact CG2-CD2 3.6Å; V26-L113 HydrophobicContact CG2-CG 4.11Å; L94-L113 HydrophobicContact CD1-CD2 3.7Å; V109-L113 WeakPolarHBondContact O-CG 3.46Å; V109-L113 PolarHBondContact O-N 2.96Å; A110-L113 PolarHBondContact O-N 3.04Å; L113-E115 PolarHBondContact O-N 3.43Å; L113-Y116 PolarHBondContact O-N 3.2Å; L113-E117 WeakPolarHBondContact O-CB 3.38Å; L113-E117 VanDerWaalsContact O-CG 3.31Å; L113-E117 WeakPolarHBondContact O-CG 3.34Å; L113-E117 PolarHBondContact O-N 3.02Å
114	E	96.2	Very high	96.5	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.402	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-43.4	175.9	-168.1	-149.6	135.1	0	0	112.6	A110 K111 L112 K118	A110-E114 PolarHBondContact O-N 3.12Å; K111-E114 WeakPolarHBondContact CD-OE2 3.19Å; K111-E114 IonicContact NZ-OE1 2.82Å; K111-E114 PolarHBondContact NZ-OE1 3.03Å; K111-E114 IonicContact NZ-OE2 3.65Å; K111-E114 PolarHBondContact NZ-OE2 3.01Å; K111-E114 PolarHBondContact O-N 3.12Å; L112-E114 VanDerWaalsContact C-N 3.32Å; L112-E114 PolarHBondContact O-N 2.84Å; E114-K118 WeakPolarHBondContact O-CE 3.45Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 IonicContact OE1-NZ 2.81Å; E114-K118 PolarHBondContact OE1-NZ 3.28Å
115	E	97	Very high	96.5	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-72.8	-37.4	176.6	-66.5	-55.1	135.9	0	0	111.9	K111 L112 L113 E117 K118 F119 R205 I206 I238	K111-E115 WeakPolarHBondContact CE-OE1 3.46Å; K111-E115 IonicContact NZ-OE1 3.64Å; K111-E115 PolarHBondContact NZ-OE1 3.45Å; K111-E115 PolarHBondContact O-N 3.21Å; L112-E115 PolarHBondContact O-N 3.36Å; L113-E115 PolarHBondContact O-N 3.43Å; E115-E117 PolarHBondContact O-N 2.79Å; E115-K118 VanDerWaalsContact CD-NZ 3.33Å; E115-K118 WeakPolarHBondContact O-CB 3.35Å; E115-K118 PolarHBondContact O-N 2.68Å; E115-K118 IonicContact OE1-NZ 2.7Å; E115-K118 PolarHBondContact OE1-NZ 2.77Å; E115-K118 IonicContact OE2-NZ 3.41Å; E115-K118 PolarHBondContact OE2-NZ 3.4Å; E115-F119 VanDerWaalsContact O-CD2 3.24Å; E115-F119 WeakPolarHBondContact O-CD2 3.35Å; E115-F119 WeakPolarHBondContact O-CE2 3.24Å; E115-R205 HydrophobicContact CB-CB 4.5Å; E115-R205 IonicContact OE2-NH1 3.23Å; E115-R205 PolarHBondContact OE2-NH1 3.09Å; E115-I206 HydrophobicContact CB-CG1 3.97Å; E115-I238 HydrophobicContact CG-CD1 4.43Å
116	Y	96.9	Very high	96.5	Very high	30 Å²	30	47.3 Å²	47.3	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-42.6	176.9	175.8	-100.6	0	0	0	112.1	L94 L112 L113 K118 F119 K122 I124 I158	L94-Y116 HydrophobicContact CD1-CD1 3.88Å; L94-Y116 HydrophobicContact CD1-CE1 3.65Å; L94-Y116 HydrophobicContact CD2-CE1 3.75Å; L94-Y116 HydrophobicContact CD2-CE2 4.47Å; L94-Y116 WeakPolarHBondContact CD2-OH 3.4Å; L94-Y116 HydrophobicContact CG-CE1 4.38Å; L112-Y116 VanDerWaalsContact O-CB 3.27Å; L112-Y116 WeakPolarHBondContact O-CB 3.44Å; L112-Y116 PolarHBondContact O-N 3.49Å; L113-Y116 PolarHBondContact O-N 3.2Å; Y116-K118 PolarHBondContact O-N 2.86Å; Y116-K118 VanDerWaalsContact O-N 3.1Å; Y116-F119 PolarHBondContact O-N 3.49Å; Y116-F119 VanDerWaalsContact O-N 3.12Å; Y116-K122 PolarHBondContact OH-O 3.17Å; Y116-I124 HydrophobicContact CD2-CG1 4.07Å; Y116-I124 HydrophobicContact CE2-CG1 4Å; Y116-I158 HydrophobicContact CD2-CD1 4.17Å; Y116-I158 HydrophobicContact CD2-CG1 4.3Å; Y116-I158 HydrophobicContact CD2-CG2 3.7Å; Y116-I158 HydrophobicContact CE2-CG1 4.27Å; Y116-I158 HydrophobicContact CE2-CG2 3.96Å
117	E	95.5	Very high	96.6	Very high	131 Å²	131	47.2 Å²	47.2	61%	0.612	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.5	177	-76	177	-178.7	0	0	113.9	L113 E115	L113-E117 WeakPolarHBondContact O-CB 3.38Å; L113-E117 VanDerWaalsContact O-CG 3.31Å; L113-E117 WeakPolarHBondContact O-CG 3.34Å; L113-E117 PolarHBondContact O-N 3.02Å; E115-E117 PolarHBondContact O-N 2.79Å
118	K	96.2	Very high	96.7	Very high	100 Å²	100	45.5 Å²	45.5	44%	0.435	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.4	177.5	-64.7	169.9	-167.8	171.8	0	113	E114 E115 Y116	E114-K118 WeakPolarHBondContact O-CE 3.45Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 IonicContact OE1-NZ 2.81Å; E114-K118 PolarHBondContact OE1-NZ 3.28Å; E115-K118 VanDerWaalsContact CD-NZ 3.33Å; E115-K118 WeakPolarHBondContact O-CB 3.35Å; E115-K118 PolarHBondContact O-N 2.68Å; E115-K118 IonicContact OE1-NZ 2.7Å; E115-K118 PolarHBondContact OE1-NZ 2.77Å; E115-K118 IonicContact OE2-NZ 3.41Å; E115-K118 PolarHBondContact OE2-NZ 3.4Å; Y116-K118 PolarHBondContact O-N 2.86Å; Y116-K118 VanDerWaalsContact O-N 3.1Å
119	F	96.8	Very high	96.6	Very high	29 Å²	29	46.1 Å²	46.1	13%	0.127	22%	0.221	C	C	.	.	S	Bend	trans	-77.9	153.7	176.5	-69	-87.9	0	0	0	111.2	E115 Y116 I124 E199 D201 R205 I206	E115-F119 VanDerWaalsContact O-CD2 3.24Å; E115-F119 WeakPolarHBondContact O-CD2 3.35Å; E115-F119 WeakPolarHBondContact O-CE2 3.24Å; Y116-F119 PolarHBondContact O-N 3.49Å; Y116-F119 VanDerWaalsContact O-N 3.12Å; F119-I124 HydrophobicContact CB-CD1 3.42Å; F119-I124 VanDerWaalsContact CB-CD1 3.42Å; F119-I124 HydrophobicContact CB-CG1 3.99Å; F119-I124 HydrophobicContact CD1-CD1 3.79Å; F119-I124 HydrophobicContact CD1-CG1 4.3Å; F119-I124 HydrophobicContact CD1-CG2 4.09Å; F119-I124 HydrophobicContact CD2-CD1 4.37Å; F119-I124 HydrophobicContact CD2-CG1 4.15Å; F119-I124 HydrophobicContact CD2-CG2 4.45Å; F119-I124 HydrophobicContact CE1-CG2 3.93Å; F119-I124 HydrophobicContact CE2-CG2 4.31Å; F119-I124 HydrophobicContact CG-CD1 3.6Å; F119-I124 HydrophobicContact CG-CG1 3.88Å; F119-I124 HydrophobicContact CG-CG2 4.34Å; F119-I124 HydrophobicContact CZ-CG2 4.04Å; F119-E199 HydrophobicContact CD1-CG 4.26Å; F119-D201 HydrophobicContact CE1-CB 4.35Å; F119-D201 HydrophobicContact CZ-CB 4.09Å; F119-D201 WeakPolarHBondContact CZ-OD1 3.33Å; F119-R205 HydrophobicContact CE2-CB 4.37Å; F119-R205 HydrophobicContact CZ-CB 4.18Å; F119-I206 HydrophobicContact CD2-CD1 4.24Å; F119-I206 HydrophobicContact CE2-CD1 3.67Å; F119-I206 HydrophobicContact CE2-CG1 4.07Å
120	K	94.4	Very high	96.6	Very high	194 Å²	194	49.8 Å²	49.8	84%	0.843	24%	0.236	S	C	*	.	S	Bend	trans	-89	-27.3	-178.8	-67.6	-178.1	-179.6	179	0	112.1	E199	K120-E199 PolarHBondContact N-OE2 3.1Å
121	S	96.6	Very high	96.6	Very high	24 Å²	24	47.5 Å²	47.5	17%	0.168	22%	0.216	C	C	.	.	S	Bend	trans	-94.8	158.2	-179	-79.2	0	0	0	0	112.6	I124 D197 E199	S121-I124 WeakPolarHBondContact O-CD1 3.19Å; S121-D197 VanDerWaalsContact CA-OD1 3.3Å; S121-D197 WeakPolarHBondContact CA-OD1 3.3Å; S121-D197 WeakPolarHBondContact CB-O 3.46Å; S121-D197 VanDerWaalsContact CB-OD1 3.24Å; S121-D197 WeakPolarHBondContact CB-OD1 3.3Å; S121-D197 PolarHBondContact OG-OD1 2.98Å; S121-E199 VanDerWaalsContact CB-CB 3.49Å; S121-E199 PolarHBondContact N-OE2 2.83Å
122	K	96.7	Very high	96.6	Very high	112 Å²	112	49.9 Å²	49.9	49%	0.487	22%	0.224	S	C	.	.	S	Bend	trans	-80.7	-26.8	178	-71.5	170.9	-175.4	-175.8	0	114.2	Y116 G159 P160 D197	Y116-K122 PolarHBondContact OH-O 3.17Å; K122-G159 VanDerWaalsContact O-CA 3.27Å; K122-G159 WeakPolarHBondContact O-CA 3.24Å; K122-P160 HydrophobicContact CB-CG 4.22Å; K122-P160 WeakPolarHBondContact O-CD 3.3Å; K122-D197 HydrophobicContact CB-CB 4.34Å; K122-D197 WeakPolarHBondContact CB-OD2 3.33Å; K122-D197 WeakPolarHBondContact CG-OD2 3.39Å; K122-D197 PolarHBondContact N-O 3.38Å; K122-D197 PolarHBondContact N-OD2 3.37Å
123	V	98.4	Very high	96.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.3	-179.4	-175.6	0	0	0	0	109.3	F125 I158 N163 L164 I167 D197 I198 E199	V123-F125 HydrophobicContact CG1-CD2 3.97Å; V123-F125 HydrophobicContact CG1-CE2 3.58Å; V123-I158 CarbonylContact C-O 3.57Å; V123-I158 WeakPolarHBondContact CA-O 3.17Å; V123-N163 HydrophobicContact CG2-CB 3.54Å; V123-L164 HydrophobicContact CG1-CD2 3.93Å; V123-L164 HydrophobicContact CG2-CD2 4.3Å; V123-I167 HydrophobicContact CB-CD1 4.29Å; V123-I167 HydrophobicContact CG1-CD1 3.82Å; V123-I167 HydrophobicContact CG2-CD1 4.01Å; V123-D197 PolarHBondContact N-O 2.86Å; V123-I198 HydrophobicContact CB-CG1 4.18Å; V123-I198 HydrophobicContact CG1-CG1 4.44Å; V123-I198 CarbonylContact O-C 3.59Å; V123-I198 WeakPolarHBondContact O-CA 3.47Å; V123-E199 PolarHBondContact O-N 2.65Å
124	I	98.6	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.3	-176.9	-46.4	-55.7	0	0	0	108.6	Y116 F119 S121 F157 I158 E199 D201	Y116-I124 HydrophobicContact CD2-CG1 4.07Å; Y116-I124 HydrophobicContact CE2-CG1 4Å; F119-I124 HydrophobicContact CB-CD1 3.42Å; F119-I124 VanDerWaalsContact CB-CD1 3.42Å; F119-I124 HydrophobicContact CB-CG1 3.99Å; F119-I124 HydrophobicContact CD1-CD1 3.79Å; F119-I124 HydrophobicContact CD1-CG1 4.3Å; F119-I124 HydrophobicContact CD1-CG2 4.09Å; F119-I124 HydrophobicContact CD2-CD1 4.37Å; F119-I124 HydrophobicContact CD2-CG1 4.15Å; F119-I124 HydrophobicContact CD2-CG2 4.45Å; F119-I124 HydrophobicContact CE1-CG2 3.93Å; F119-I124 HydrophobicContact CE2-CG2 4.31Å; F119-I124 HydrophobicContact CG-CD1 3.6Å; F119-I124 HydrophobicContact CG-CG1 3.88Å; F119-I124 HydrophobicContact CG-CG2 4.34Å; F119-I124 HydrophobicContact CZ-CG2 4.04Å; S121-I124 WeakPolarHBondContact O-CD1 3.19Å; I124-F157 CarbonylContact O-C 3.41Å; I124-F157 WeakPolarHBondContact O-CA 3.47Å; I124-F157 WeakPolarHBondContact O-CB 3.17Å; I124-I158 HydrophobicContact CB-CG2 3.96Å; I124-I158 HydrophobicContact CG1-CG2 4.42Å; I124-I158 PolarHBondContact N-O 3.39Å; I124-I158 PolarHBondContact O-N 3.4Å; I124-E199 WeakPolarHBondContact CA-O 3.48Å; I124-E199 HydrophobicContact CD1-CB 3.88Å; I124-E199 HydrophobicContact CD1-CG 4.49Å; I124-D201 HydrophobicContact CG2-CB 4.02Å
125	F	98.7	Very high	96.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	149.6	170.2	-78	-101.2	0	0	0	110.6	V123 L152 F157 I167 Y183 I198 E199 L200 D201	V123-F125 HydrophobicContact CG1-CD2 3.97Å; V123-F125 HydrophobicContact CG1-CE2 3.58Å; F125-L152 HydrophobicContact CB-CD1 4.06Å; F125-L152 HydrophobicContact CB-CG 4.08Å; F125-L152 HydrophobicContact CD1-CD1 3.8Å; F125-L152 HydrophobicContact CD1-CD2 4.13Å; F125-L152 HydrophobicContact CD1-CG 4.01Å; F125-L152 HydrophobicContact CD2-CD1 4.33Å; F125-L152 HydrophobicContact CE1-CD1 4.34Å; F125-L152 HydrophobicContact CG-CD1 3.8Å; F125-L152 HydrophobicContact CG-CG 4.19Å; F125-F157 HydrophobicContact CB-CB 4.33Å; F125-F157 HydrophobicContact CD1-CB 3.53Å; F125-F157 AromaticContact CD1-CD1 3.82Å; F125-F157 HydrophobicContact CD1-CD1 3.82Å; F125-F157 AromaticContact CD1-CG 3.88Å; F125-F157 HydrophobicContact CD1-CG 3.88Å; F125-F157 HydrophobicContact CD2-CB 4.18Å; F125-F157 HydrophobicContact CE1-CB 3.76Å; F125-F157 AromaticContact CE1-CD1 3.5Å; F125-F157 HydrophobicContact CE1-CD1 3.5Å; F125-F157 VanDerWaalsContact CE1-CD1 3.5Å; F125-F157 HydrophobicContact CE1-CD2 4.29Å; F125-F157 HydrophobicContact CE1-CE1 4.11Å; F125-F157 AromaticContact CE1-CG 3.6Å; F125-F157 HydrophobicContact CE1-CG 3.6Å; F125-F157 HydrophobicContact CE2-CB 4.4Å; F125-F157 HydrophobicContact CG-CB 3.76Å; F125-F157 HydrophobicContact CZ-CB 4.2Å; F125-F157 HydrophobicContact CZ-CD1 4.31Å; F125-F157 HydrophobicContact CZ-CD2 4.34Å; F125-F157 HydrophobicContact CZ-CG 4.04Å; F125-I167 HydrophobicContact CE2-CD1 4.4Å; F125-I167 HydrophobicContact CZ-CG2 4.47Å; F125-Y183 AromaticContact CE1-CD1 3.7Å; F125-Y183 HydrophobicContact CE1-CD1 3.7Å; F125-Y183 HydrophobicContact CE1-CD2 4.35Å; F125-Y183 HydrophobicContact CE1-CE1 4.28Å; F125-Y183 AromaticContact CE1-CG 3.73Å; F125-Y183 HydrophobicContact CE1-CG 3.73Å; F125-Y183 AromaticContact CZ-CD1 3.69Å; F125-Y183 HydrophobicContact CZ-CD1 3.69Å; F125-Y183 HydrophobicContact CZ-CE1 4.23Å; F125-Y183 HydrophobicContact CZ-CG 4.18Å; F125-I198 HydrophobicContact CD2-CG2 3.51Å; F125-I198 HydrophobicContact CE2-CD1 4.31Å; F125-I198 HydrophobicContact CE2-CG1 4.43Å; F125-I198 HydrophobicContact CE2-CG2 3.84Å; F125-E199 PolarHBondContact N-O 2.51Å; F125-L200 HydrophobicContact CB-CD2 3.81Å; F125-L200 CarbonylContact O-C 3.55Å; F125-L200 WeakPolarHBondContact O-CA 3.38Å; F125-D201 PolarHBondContact O-N 3.09Å
126	S	98.5	Very high	96.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	148.9	169.7	76.8	0	0	0	0	111.1	N153 G156 F207 N209	S126-N153 PolarHBondContact O-N 2.85Å; S126-N153 VanDerWaalsContact OG-CB 3.3Å; S126-N153 WeakPolarHBondContact OG-CB 2.98Å; S126-N153 PolarHBondContact OG-O 3.43Å; S126-N153 PolarHBondContact OG-OD1 3.32Å; S126-G156 WeakPolarHBondContact CB-O 3.21Å; S126-G156 PolarHBondContact N-O 2.88Å; S126-G156 PolarHBondContact OG-O 3.37Å; S126-F207 VanDerWaalsContact CB-CG 3.48Å; S126-N209 WeakPolarHBondContact CB-ND2 3.26Å; S126-N209 PolarHBondContact OG-ND2 2.85Å; S126-N209 VanDerWaalsContact OG-ND2 3.11Å
127	A	98.3	Very high	96.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	150	178.3	0	0	0	0	0	111.3	K149 Y151 L200 D201 N209	A127-K149 HydrophobicContact CB-CB 3.63Å; A127-Y151 CarbonylContact C-O 3.58Å; A127-Y151 WeakPolarHBondContact CA-O 3.39Å; A127-L200 HydrophobicContact CB-CB 4.19Å; A127-D201 WeakPolarHBondContact CB-O 3.41Å; A127-N209 PolarHBondContact O-ND2 2.76Å
128	E	96.9	Very high	96.3	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	172	178.8	68.4	168.6	100.5	0	0	113.1	F130 Y151 N153 Q180 N209	E128-F130 WeakPolarHBondContact CG-O 3.39Å; E128-Y151 PolarHBondContact N-O 3.27Å; E128-Y151 PolarHBondContact O-N 2.91Å; E128-N153 HydrophobicContact CB-CB 4.14Å; E128-N153 HydrophobicContact CG-CB 3.99Å; E128-N153 VanDerWaalsContact OE1-CB 3.24Å; E128-N153 WeakPolarHBondContact OE1-CB 3.17Å; E128-N153 PolarHBondContact OE1-ND2 3.36Å; E128-Q180 PolarHBondContact OE1-NE2 2.93Å; E128-Q180 PolarHBondContact OE1-OE1 3.28Å; E128-N209 HydrophobicContact CB-CB 4.24Å
129	E	94.1	Very high	96.2	Very high	84 Å²	84	55.4 Å²	55.4	39%	0.393	28%	0.284	S	S	.	.	S	Bend	trans	-76.2	-27.5	-178.5	-166.7	63.5	-153	0	0	112.9	K149 Y151	E129-K149 VanDerWaalsContact OE2-CD 3.24Å; E129-K149 WeakPolarHBondContact OE2-CD 3.36Å; E129-K149 IonicContact OE2-NZ 3.48Å; E129-K149 PolarHBondContact OE2-NZ 2.85Å; E129-Y151 WeakPolarHBondContact O-CD2 3.36Å; E129-Y151 WeakPolarHBondContact O-CE2 3.19Å
130	F	94.5	Very high	96.1	Very high	94 Å²	94	57.2 Å²	57.2	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	-110.6	137	-171.2	-55.4	-64.6	0	0	0	112.7	E128 W132 Y151	E128-F130 WeakPolarHBondContact CG-O 3.39Å; F130-W132 PolarHBondContact O-N 2.85Å; F130-Y151 WeakPolarHBondContact O-CB 3.33Å
131	C	96.4	Very high	96.3	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.041	26%	0.261	C	S	.	.			trans	-84.3	92.2	169.2	-174.1	0	0	0	0	109.1	Q134 P135 Q138 Y151	C131-Q134 PolarHBondContact SG-O 2.75Å; C131-P135 WeakPolarHBondContact O-CA 2.96Å; C131-Q138 HydrophobicContact CB-CG 3.31Å; C131-Y151 HydrophobicContact CB-CD1 3.63Å; C131-Y151 HydrophobicContact CB-CD2 4.03Å; C131-Y151 HydrophobicContact CB-CE1 3.83Å; C131-Y151 HydrophobicContact CB-CE2 4.18Å; C131-Y151 HydrophobicContact CB-CG 3.73Å; C131-Y151 VanDerWaalsContact N-CD2 3.31Å
132	W	94.4	Very high	96.2	Very high	107 Å²	107	49.3 Å²	49.3	41%	0.405	27%	0.267	S	S	.	.			trans	-120.6	144.9	-177.4	-173.1	94.3	0	0	0	110.4	T71 F130 D178 Q180	T71-W132 HydrophobicContact CG2-CH2 3.86Å; T71-W132 HydrophobicContact CG2-CZ2 3.81Å; F130-W132 PolarHBondContact O-N 2.85Å; W132-D178 VanDerWaalsContact CH2-OD1 3.25Å; W132-D178 WeakPolarHBondContact CH2-OD1 3.45Å; W132-D178 WeakPolarHBondContact CZ3-OD1 2.99Å; W132-Q180 HydrophobicContact CE3-CB 4.15Å; W132-Q180 HydrophobicContact CE3-CG 4.23Å; W132-Q180 HydrophobicContact CZ3-CB 4.02Å; W132-Q180 WeakPolarHBondContact O-CG 3.45Å; W132-Q180 PolarHBondContact O-NE2 3.16Å
133	P	94.5	Very high	96.1	Very high	29 Å²	29	50.9 Å²	50.9	19%	0.188	28%	0.276	C	S	.	.	S	Bend	cis	-88.5	-4	2.2	35.8	-38.5	0	0	0	115.3	T71 P135 D178 L181	T71-P133 HydrophobicContact CG2-CB 3.42Å; T71-P133 VanDerWaalsContact CG2-CB 3.42Å; T71-P133 HydrophobicContact CG2-CG 3.9Å; P133-P135 VanDerWaalsContact O-CD 3.26Å; P133-P135 WeakPolarHBondContact O-CD 3.32Å; P133-D178 VanDerWaalsContact CD-OD2 3.3Å; P133-D178 WeakPolarHBondContact CD-OD2 3.2Å; P133-D178 HydrophobicContact CG-CB 4.44Å; P133-D178 VanDerWaalsContact CG-OD2 3.32Å; P133-D178 WeakPolarHBondContact CG-OD2 3.38Å; P133-L181 HydrophobicContact CG-CB 3.89Å; P133-L181 HydrophobicContact CG-CD1 4.43Å; P133-L181 HydrophobicContact CG-CD2 4.41Å; P133-L181 HydrophobicContact CG-CG 4.46Å
134	Q	95	Very high	95.9	Very high	79 Å²	79	52.5 Å²	52.5	37%	0.369	29%	0.286	S	S	.	.			trans	-112.7	91.8	-178.7	-67.7	-171	-11.3	0	0	111.7	C131 S136 L137 L181	C131-Q134 PolarHBondContact SG-O 2.75Å; Q134-S136 PolarHBondContact O-N 3.11Å; Q134-S136 VanDerWaalsContact O-N 3.11Å; Q134-L137 HydrophobicContact CB-CD1 3.76Å; Q134-L137 HydrophobicContact CB-CG 3.84Å; Q134-L137 WeakPolarHBondContact O-CB 3.47Å; Q134-L137 PolarHBondContact O-N 2.93Å; Q134-L181 HydrophobicContact CB-CD1 4.39Å; Q134-L181 HydrophobicContact CG-CD1 3.98Å; Q134-L181 HydrophobicContact CG-CD2 4.45Å
135	P	94.5	Very high	95.6	Very high	80 Å²	80	59.3 Å²	59.3	52%	0.519	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.5	-23	178.1	-26.4	34.4	0	0	0	114.4	C131 P133 L137 Q138	C131-P135 WeakPolarHBondContact O-CA 2.96Å; P133-P135 VanDerWaalsContact O-CD 3.26Å; P133-P135 WeakPolarHBondContact O-CD 3.32Å; P135-L137 PolarHBondContact O-N 3.41Å; P135-L137 VanDerWaalsContact O-N 3.17Å; P135-Q138 WeakPolarHBondContact O-CB 3.47Å; P135-Q138 WeakPolarHBondContact O-CG 3.48Å; P135-Q138 PolarHBondContact O-N 3.36Å
136	S	96	Very high	95.2	Very high	94 Å²	94	65.6 Å²	65.6	66%	0.657	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.6	174.9	52.9	0	0	0	0	113.5	Q134 Q138	Q134-S136 PolarHBondContact O-N 3.11Å; Q134-S136 VanDerWaalsContact O-N 3.11Å; S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 2.9Å
137	L	96.5	Very high	94.6	Very high	32 Å²	32	68 Å²	68	17%	0.168	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-80.6	-5.7	178.4	-61.7	179.1	0	0	0	113.6	Q134 P135 S139 S140 Y141 L181 T184 L188	Q134-L137 HydrophobicContact CB-CD1 3.76Å; Q134-L137 HydrophobicContact CB-CG 3.84Å; Q134-L137 WeakPolarHBondContact O-CB 3.47Å; Q134-L137 PolarHBondContact O-N 2.93Å; P135-L137 PolarHBondContact O-N 3.41Å; P135-L137 VanDerWaalsContact O-N 3.17Å; L137-S139 VanDerWaalsContact C-N 3.28Å; L137-S139 PolarHBondContact O-N 3.21Å; L137-S140 VanDerWaalsContact O-CB 3.32Å; L137-S140 WeakPolarHBondContact O-CB 3.46Å; L137-S140 PolarHBondContact O-N 2.97Å; L137-Y141 WeakPolarHBondContact O-CD2 3.26Å; L137-L181 HydrophobicContact CD1-CD1 3.93Å; L137-T184 HydrophobicContact CD1-CG2 3.8Å; L137-L188 HydrophobicContact CB-CD1 3.83Å; L137-L188 HydrophobicContact CD1-CD1 3.89Å; L137-L188 HydrophobicContact CD2-CD1 4.17Å; L137-L188 HydrophobicContact CG-CD1 4.19Å
138	Q	95.5	Very high	94.5	Very high	86 Å²	86	69.8 Å²	69.8	40%	0.402	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-52	-44.5	-177.9	-76.9	179.1	11.9	0	0	113.1	C131 P135 S136 S140 Y141 Y151	C131-Q138 HydrophobicContact CB-CG 3.31Å; P135-Q138 WeakPolarHBondContact O-CB 3.47Å; P135-Q138 WeakPolarHBondContact O-CG 3.48Å; P135-Q138 PolarHBondContact O-N 3.36Å; S136-Q138 VanDerWaalsContact C-N 3.29Å; S136-Q138 PolarHBondContact O-N 2.9Å; Q138-S140 PolarHBondContact O-N 3.22Å; Q138-Y141 PolarHBondContact O-N 3.19Å; Q138-Y151 HydrophobicContact CB-CE1 4.15Å; Q138-Y151 HydrophobicContact CG-CE1 3.77Å
139	S	94.5	Very high	94.5	Very high	103 Å²	103	69.8 Å²	69.8	72%	0.72	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18.2	-179.6	55.8	0	0	0	0	113.8	L137	L137-S139 VanDerWaalsContact C-N 3.28Å; L137-S139 PolarHBondContact O-N 3.21Å
140	S	95.8	Very high	94.6	Very high	67 Å²	67	67.8 Å²	67.8	47%	0.469	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-84.7	-19.8	179	-55.6	0	0	0	0	112.3	L137 Q138 L188	L137-S140 VanDerWaalsContact O-CB 3.32Å; L137-S140 WeakPolarHBondContact O-CB 3.46Å; L137-S140 PolarHBondContact O-N 2.97Å; Q138-S140 PolarHBondContact O-N 3.22Å; S140-L188 VanDerWaalsContact C-CD2 3.48Å; S140-L188 WeakPolarHBondContact O-CD2 3.41Å
141	Y	97.3	Very high	94.8	Very high	6 Å²	6	64.7 Å²	64.7	2%	0.024	36%	0.363	C	S	.	.	S	Bend	trans	-68.8	143.1	175.7	-83.8	-96.1	0	0	0	110.5	L137 Q138 R150 Y151 L152 T184 F187 L188 L200	L137-Y141 WeakPolarHBondContact O-CD2 3.26Å; Q138-Y141 PolarHBondContact O-N 3.19Å; Y141-R150 VanDerWaalsContact CD1-O 3.25Å; Y141-R150 WeakPolarHBondContact CD1-O 3.3Å; Y141-R150 PolarHBondContact O-NH2 2.88Å; Y141-Y151 HydrophobicContact CD1-CD1 4.12Å; Y141-Y151 AromaticContact CD2-CD1 3.67Å; Y141-Y151 HydrophobicContact CD2-CD1 3.67Å; Y141-Y151 HydrophobicContact CD2-CE1 4.15Å; Y141-Y151 HydrophobicContact CE1-CD1 4.36Å; Y141-Y151 AromaticContact CE2-CD1 3.92Å; Y141-Y151 HydrophobicContact CE2-CD1 3.92Å; Y141-Y151 AromaticContact CG-CD1 3.79Å; Y141-Y151 HydrophobicContact CG-CD1 3.79Å; Y141-Y151 HydrophobicContact CG-CE1 4.27Å; Y141-L152 HydrophobicContact CE1-CB 4.25Å; Y141-L152 PolarHBondContact OH-N 2.81Å; Y141-T184 HydrophobicContact CE2-CG2 4.16Å; Y141-T184 WeakPolarHBondContact OH-CG2 3.46Å; Y141-T184 PolarHBondContact OH-OG1 3.06Å; Y141-F187 AromaticContact CD1-CD1 3.93Å; Y141-F187 HydrophobicContact CD1-CD1 3.93Å; Y141-F187 AromaticContact CD1-CE1 3.62Å; Y141-F187 HydrophobicContact CD1-CE1 3.62Å; Y141-F187 AromaticContact CE1-CD1 3.6Å; Y141-F187 HydrophobicContact CE1-CD1 3.6Å; Y141-F187 AromaticContact CE1-CE1 3.72Å; Y141-F187 HydrophobicContact CE1-CE1 3.72Å; Y141-L188 HydrophobicContact CD1-CD2 4.12Å; Y141-L188 HydrophobicContact CD2-CD1 4.47Å; Y141-L188 HydrophobicContact CD2-CD2 3.58Å; Y141-L188 HydrophobicContact CD2-CG 4.48Å; Y141-L188 HydrophobicContact CE1-CD2 4.28Å; Y141-L188 HydrophobicContact CE2-CD1 4.09Å; Y141-L188 HydrophobicContact CE2-CD2 3.77Å; Y141-L188 HydrophobicContact CE2-CG 4.21Å; Y141-L188 HydrophobicContact CG-CD2 3.75Å; Y141-L200 HydrophobicContact CE1-CD1 4.35Å
142	P	94.8	Very high	94.8	Very high	45 Å²	45	64.4 Å²	64.4	29%	0.292	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-54.3	144.4	167.8	-23.6	34.5	0	0	0	111.4	R150 F187	P142-R150 PolarHBondContact O-NE 3.39Å; P142-F187 HydrophobicContact CG-CE1 4.44Å; P142-F187 HydrophobicContact CG-CZ 4.47Å
143	E	94.4	Very high	95	Very high	146 Å²	146	59.6 Å²	59.6	68%	0.682	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-63.7	144.8	169.7	-67	-60.9	147.8	0	0	110.4	R150	E143-R150 VanDerWaalsContact CD-NH1 3.27Å; E143-R150 IonicContact OE1-CZ 2.93Å; E143-R150 VanDerWaalsContact OE1-CZ 3.27Å; E143-R150 IonicContact OE1-NH1 3.93Å; E143-R150 PolarHBondContact OE1-NH1 3.42Å; E143-R150 IonicContact OE1-NH2 3.05Å; E143-R150 PolarHBondContact OE1-NH2 3.14Å; E143-R150 IonicContact OE2-CZ 3.86Å; E143-R150 IonicContact OE2-NH1 3.31Å; E143-R150 PolarHBondContact OE2-NH1 3.17Å; E143-R150 IonicContact OE2-NH2 2.8Å
144	V	94.4	Very high	95.2	Very high	33 Å²	33	58.4 Å²	58.4	20%	0.2	34%	0.336	C	S	.	.			trans	-123.7	167.1	178.5	-62.4	0	0	0	0	109.5	E148 R150 K202	V144-E148 HydrophobicContact CB-CB 3.85Å; V144-E148 HydrophobicContact CG2-CB 3.91Å; V144-E148 WeakPolarHBondContact CG2-O 3.07Å; V144-R150 HydrophobicContact CG1-CB 4.44Å; V144-R150 HydrophobicContact CG1-CG 4.18Å; V144-R150 HydrophobicContact CG2-CB 3.74Å; V144-R150 HydrophobicContact CG2-CG 3.95Å; V144-K202 HydrophobicContact CB-CD 4.44Å; V144-K202 HydrophobicContact CG1-CD 3.79Å; V144-K202 HydrophobicContact CG1-CG 4.34Å
145	K	93.6	Very high	95.3	Very high	143 Å²	143	54.7 Å²	54.7	62%	0.622	32%	0.319	S	S	*	.			trans	-67.8	155.2	177.5	-61.5	179.2	-172.1	162.6	0	110.3	G147 E148	K145-G147 PolarHBondContact O-N 2.85Å; K145-E148 HydrophobicContact CB-CG 4.08Å; K145-E148 WeakPolarHBondContact CD-OE1 3.44Å; K145-E148 PolarHBondContact N-OE2 3.08Å; K145-E148 WeakPolarHBondContact O-CB 3.25Å; K145-E148 PolarHBondContact O-N 3.46Å
146	P	88.5	Confident	95.5	Very high	135 Å²	135	51 Å²	51	88%	0.877	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	129.9	173.7	-27.4	35.4	0	0	0	111.8	E148	P146-E148 VanDerWaalsContact C-N 3.33Å; P146-E148 PolarHBondContact O-N 3.25Å
147	G	87.6	Confident	95.6	Very high	49 Å²	49	46.5 Å²	46.5	51%	0.505	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-26.8	-178.3	0	0	0	0	0	115	K145 F233	K145-G147 PolarHBondContact O-N 2.85Å; G147-F233 WeakPolarHBondContact O-CZ 3.47Å
148	E	95.4	Very high	95.7	Very high	39 Å²	39	45 Å²	45	18%	0.182	26%	0.256	C	S	.	.	S	Bend	trans	-62	139	178.3	-78.3	178.7	178.3	0	0	111.8	V144 K145 P146 R150 K202 T203 F233	V144-E148 HydrophobicContact CB-CB 3.85Å; V144-E148 HydrophobicContact CG2-CB 3.91Å; V144-E148 WeakPolarHBondContact CG2-O 3.07Å; K145-E148 HydrophobicContact CB-CG 4.08Å; K145-E148 WeakPolarHBondContact CD-OE1 3.44Å; K145-E148 PolarHBondContact N-OE2 3.08Å; K145-E148 WeakPolarHBondContact O-CB 3.25Å; K145-E148 PolarHBondContact O-N 3.46Å; P146-E148 VanDerWaalsContact C-N 3.33Å; P146-E148 PolarHBondContact O-N 3.25Å; E148-R150 PolarHBondContact O-N 2.85Å; E148-K202 HydrophobicContact CB-CB 4.04Å; E148-K202 HydrophobicContact CG-CB 4.15Å; E148-T203 HydrophobicContact CG-CG2 4.09Å; E148-F233 HydrophobicContact CG-CE1 4.26Å
149	K	96.2	Very high	95.8	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.039	24%	0.237	C	C	.	.			trans	-71.2	122.7	176.6	-56.3	-59.3	175.4	-179.6	0	109.3	A127 E129 K202 D216 F233	A127-K149 HydrophobicContact CB-CB 3.63Å; E129-K149 VanDerWaalsContact OE2-CD 3.24Å; E129-K149 WeakPolarHBondContact OE2-CD 3.36Å; E129-K149 IonicContact OE2-NZ 3.48Å; E129-K149 PolarHBondContact OE2-NZ 2.85Å; K149-K202 PolarHBondContact N-O 3.43Å; K149-K202 WeakPolarHBondContact O-CG 3.49Å; K149-D216 IonicContact NZ-OD2 3.19Å; K149-D216 PolarHBondContact NZ-OD2 3.39Å; K149-F233 HydrophobicContact CG-CE2 4.39Å
150	R	96.6	Very high	95.9	Very high	41 Å²	41	36.8 Å²	36.8	16%	0.155	21%	0.208	C	C	.	.			trans	-93.7	-30	-166.2	-172.8	173.6	177.8	167.5	0.2	113.9	Y141 P142 E143 V144 E148 L200	Y141-R150 VanDerWaalsContact CD1-O 3.25Å; Y141-R150 WeakPolarHBondContact CD1-O 3.3Å; Y141-R150 PolarHBondContact O-NH2 2.88Å; P142-R150 PolarHBondContact O-NE 3.39Å; E143-R150 VanDerWaalsContact CD-NH1 3.27Å; E143-R150 IonicContact OE1-CZ 2.93Å; E143-R150 VanDerWaalsContact OE1-CZ 3.27Å; E143-R150 IonicContact OE1-NH1 3.93Å; E143-R150 PolarHBondContact OE1-NH1 3.42Å; E143-R150 IonicContact OE1-NH2 3.05Å; E143-R150 PolarHBondContact OE1-NH2 3.14Å; E143-R150 IonicContact OE2-CZ 3.86Å; E143-R150 IonicContact OE2-NH1 3.31Å; E143-R150 PolarHBondContact OE2-NH1 3.17Å; E143-R150 IonicContact OE2-NH2 2.8Å; V144-R150 HydrophobicContact CG1-CB 4.44Å; V144-R150 HydrophobicContact CG1-CG 4.18Å; V144-R150 HydrophobicContact CG2-CB 3.74Å; V144-R150 HydrophobicContact CG2-CG 3.95Å; E148-R150 PolarHBondContact O-N 2.85Å; R150-L200 WeakPolarHBondContact O-CD1 3.43Å
151	Y	98.1	Very high	95.9	Very high	29 Å²	29	33.8 Å²	33.8	11%	0.114	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151.4	-164.9	-47.3	-62.8	0	0	0	111.7	A127 E128 E129 F130 C131 Q138 Y141	A127-Y151 CarbonylContact C-O 3.58Å; A127-Y151 WeakPolarHBondContact CA-O 3.39Å; E128-Y151 PolarHBondContact N-O 3.27Å; E128-Y151 PolarHBondContact O-N 2.91Å; E129-Y151 WeakPolarHBondContact O-CD2 3.36Å; E129-Y151 WeakPolarHBondContact O-CE2 3.19Å; F130-Y151 WeakPolarHBondContact O-CB 3.33Å; C131-Y151 HydrophobicContact CB-CD1 3.63Å; C131-Y151 HydrophobicContact CB-CD2 4.03Å; C131-Y151 HydrophobicContact CB-CE1 3.83Å; C131-Y151 HydrophobicContact CB-CE2 4.18Å; C131-Y151 HydrophobicContact CB-CG 3.73Å; C131-Y151 VanDerWaalsContact N-CD2 3.31Å; Q138-Y151 HydrophobicContact CB-CE1 4.15Å; Q138-Y151 HydrophobicContact CG-CE1 3.77Å; Y141-Y151 HydrophobicContact CD1-CD1 4.12Å; Y141-Y151 AromaticContact CD2-CD1 3.67Å; Y141-Y151 HydrophobicContact CD2-CD1 3.67Å; Y141-Y151 HydrophobicContact CD2-CE1 4.15Å; Y141-Y151 HydrophobicContact CE1-CD1 4.36Å; Y141-Y151 AromaticContact CE2-CD1 3.92Å; Y141-Y151 HydrophobicContact CE2-CD1 3.92Å; Y141-Y151 AromaticContact CG-CD1 3.79Å; Y141-Y151 HydrophobicContact CG-CD1 3.79Å; Y141-Y151 HydrophobicContact CG-CE1 4.27Å
152	L	98.3	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	138	-177.9	-179.7	152.6	0	0	0	110.2	F125 Y141 Q180 F187 L200	F125-L152 HydrophobicContact CB-CD1 4.06Å; F125-L152 HydrophobicContact CB-CG 4.08Å; F125-L152 HydrophobicContact CD1-CD1 3.8Å; F125-L152 HydrophobicContact CD1-CD2 4.13Å; F125-L152 HydrophobicContact CD1-CG 4.01Å; F125-L152 HydrophobicContact CD2-CD1 4.33Å; F125-L152 HydrophobicContact CE1-CD1 4.34Å; F125-L152 HydrophobicContact CG-CD1 3.8Å; F125-L152 HydrophobicContact CG-CG 4.19Å; Y141-L152 HydrophobicContact CE1-CB 4.25Å; Y141-L152 PolarHBondContact OH-N 2.81Å; L152-Q180 PolarHBondContact O-NE2 3.31Å; L152-F187 HydrophobicContact CD1-CB 3.76Å; L152-F187 HydrophobicContact CD1-CG 4.15Å; L152-L200 HydrophobicContact CB-CD2 4.01Å; L152-L200 HydrophobicContact CD1-CD2 4.07Å; L152-L200 HydrophobicContact CG-CD2 4.17Å
153	N	98.3	Very high	95.9	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130	165.8	-179.7	-76.5	0	0	0	110.1	S126 E128 G155 Q180 N209 H241	S126-N153 PolarHBondContact O-N 2.85Å; S126-N153 VanDerWaalsContact OG-CB 3.3Å; S126-N153 WeakPolarHBondContact OG-CB 2.98Å; S126-N153 PolarHBondContact OG-O 3.43Å; S126-N153 PolarHBondContact OG-OD1 3.32Å; E128-N153 HydrophobicContact CB-CB 4.14Å; E128-N153 HydrophobicContact CG-CB 3.99Å; E128-N153 VanDerWaalsContact OE1-CB 3.24Å; E128-N153 WeakPolarHBondContact OE1-CB 3.17Å; E128-N153 PolarHBondContact OE1-ND2 3.36Å; N153-G155 WeakPolarHBondContact OD1-CA 3.48Å; N153-G155 PolarHBondContact OD1-N 2.92Å; N153-Q180 PolarHBondContact ND2-OE1 2.88Å; N153-N209 WeakPolarHBondContact CB-ND2 3.17Å; N153-H241 PolarHBondContact OD1-CE1 2.82Å
154	S	97.9	Very high	96.1	Very high	3 Å²	3	27 Å²	27	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-10.2	-175.3	59.2	0	0	0	0	114.5	G156 D179 Q180	S154-G156 PolarHBondContact O-N 2.88Å; S154-G156 VanDerWaalsContact O-N 3.14Å; S154-D179 PolarHBondContact OG-OD2 2.92Å; S154-Q180 WeakPolarHBondContact OG-CA 3.43Å
155	G	97.1	Very high	96.2	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-3.3	-178.1	0	0	0	0	0	114.3	V98 D99 N153	V98-G155 CarbonylContact C-O 3.52Å; V98-G155 VanDerWaalsContact CA-O 3.24Å; V98-G155 WeakPolarHBondContact CA-O 3.32Å; D99-G155 PolarHBondContact N-O 2.81Å; N153-G155 WeakPolarHBondContact OD1-CA 3.48Å; N153-G155 PolarHBondContact OD1-N 2.92Å
156	G	98.3	Very high	96.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	127.2	173.1	0	0	0	0	0	113	F97 S126 S154	F97-G156 CarbonylContact O-C 3.47Å; F97-G156 WeakPolarHBondContact O-CA 3.22Å; S126-G156 WeakPolarHBondContact CB-O 3.21Å; S126-G156 PolarHBondContact N-O 2.88Å; S126-G156 PolarHBondContact OG-O 3.37Å; S154-G156 PolarHBondContact O-N 2.88Å; S154-G156 VanDerWaalsContact O-N 3.14Å
157	F	98.7	Very high	96.7	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	150.4	170.5	54.7	-91.6	0	0	0	112.5	L80 L96 F97 I124 F125 L164 Y183	L80-F157 HydrophobicContact CD2-CE2 4.06Å; L80-F157 HydrophobicContact CD2-CZ 3.72Å; L96-F157 CarbonylContact C-O 3.51Å; F97-F157 HydrophobicContact CB-CD1 4.27Å; F97-F157 HydrophobicContact CB-CD2 3.89Å; F97-F157 HydrophobicContact CB-CE1 3.86Å; F97-F157 HydrophobicContact CB-CE2 3.43Å; F97-F157 VanDerWaalsContact CB-CE2 3.43Å; F97-F157 HydrophobicContact CB-CG 4.29Å; F97-F157 HydrophobicContact CB-CZ 3.42Å; F97-F157 VanDerWaalsContact CB-CZ 3.42Å; F97-F157 HydrophobicContact CD1-CD1 4.06Å; F97-F157 AromaticContact CD1-CE1 3.31Å; F97-F157 HydrophobicContact CD1-CE1 3.31Å; F97-F157 HydrophobicContact CD1-CE2 4.41Å; F97-F157 AromaticContact CD1-CZ 3.52Å; F97-F157 HydrophobicContact CD1-CZ 3.52Å; F97-F157 HydrophobicContact CD2-CZ 4.4Å; F97-F157 HydrophobicContact CE1-CE1 4.12Å; F97-F157 HydrophobicContact CE1-CZ 4.41Å; F97-F157 AromaticContact CG-CE1 3.81Å; F97-F157 HydrophobicContact CG-CE1 3.81Å; F97-F157 HydrophobicContact CG-CE2 4.07Å; F97-F157 AromaticContact CG-CZ 3.51Å; F97-F157 HydrophobicContact CG-CZ 3.51Å; F97-F157 PolarHBondContact N-O 3.34Å; F97-F157 PolarHBondContact O-N 3.03Å; I124-F157 CarbonylContact O-C 3.41Å; I124-F157 WeakPolarHBondContact O-CA 3.47Å; I124-F157 WeakPolarHBondContact O-CB 3.17Å; F125-F157 HydrophobicContact CB-CB 4.33Å; F125-F157 HydrophobicContact CD1-CB 3.53Å; F125-F157 AromaticContact CD1-CD1 3.82Å; F125-F157 HydrophobicContact CD1-CD1 3.82Å; F125-F157 AromaticContact CD1-CG 3.88Å; F125-F157 HydrophobicContact CD1-CG 3.88Å; F125-F157 HydrophobicContact CD2-CB 4.18Å; F125-F157 HydrophobicContact CE1-CB 3.76Å; F125-F157 AromaticContact CE1-CD1 3.5Å; F125-F157 HydrophobicContact CE1-CD1 3.5Å; F125-F157 VanDerWaalsContact CE1-CD1 3.5Å; F125-F157 HydrophobicContact CE1-CD2 4.29Å; F125-F157 HydrophobicContact CE1-CE1 4.11Å; F125-F157 AromaticContact CE1-CG 3.6Å; F125-F157 HydrophobicContact CE1-CG 3.6Å; F125-F157 HydrophobicContact CE2-CB 4.4Å; F125-F157 HydrophobicContact CG-CB 3.76Å; F125-F157 HydrophobicContact CZ-CB 4.2Å; F125-F157 HydrophobicContact CZ-CD1 4.31Å; F125-F157 HydrophobicContact CZ-CD2 4.34Å; F125-F157 HydrophobicContact CZ-CG 4.04Å; F157-L164 HydrophobicContact CD2-CD2 4.09Å; F157-L164 HydrophobicContact CE2-CD1 4.32Å; F157-L164 HydrophobicContact CE2-CD2 4.24Å; F157-Y183 HydrophobicContact CE1-CE2 4.06Å; F157-Y183 AromaticContact CE1-CZ 3.95Å; F157-Y183 HydrophobicContact CZ-CE1 4.34Å; F157-Y183 HydrophobicContact CZ-CE2 4.42Å; F157-Y183 AromaticContact CZ-CZ 3.87Å
158	I	98.5	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.6	180	-175.3	169	0	0	0	111.3	I95 L96 L112 Y116 V123 I124 I206 F207	I95-I158 WeakPolarHBondContact O-CA 3.3Å; L96-I158 HydrophobicContact CB-CB 4.41Å; L96-I158 HydrophobicContact CB-CD1 4.26Å; L96-I158 HydrophobicContact CB-CG1 4.25Å; L96-I158 HydrophobicContact CD1-CB 3.99Å; L112-I158 HydrophobicContact CD1-CD1 4.28Å; L112-I158 HydrophobicContact CD2-CD1 3.96Å; L112-I158 HydrophobicContact CG-CD1 4.25Å; Y116-I158 HydrophobicContact CD2-CD1 4.17Å; Y116-I158 HydrophobicContact CD2-CG1 4.3Å; Y116-I158 HydrophobicContact CD2-CG2 3.7Å; Y116-I158 HydrophobicContact CE2-CG1 4.27Å; Y116-I158 HydrophobicContact CE2-CG2 3.96Å; V123-I158 CarbonylContact C-O 3.57Å; V123-I158 WeakPolarHBondContact CA-O 3.17Å; I124-I158 HydrophobicContact CB-CG2 3.96Å; I124-I158 HydrophobicContact CG1-CG2 4.42Å; I124-I158 PolarHBondContact N-O 3.39Å; I124-I158 PolarHBondContact O-N 3.4Å; I158-I206 HydrophobicContact CG2-CD1 4.39Å; I158-F207 HydrophobicContact CG2-CE2 4.35Å; I158-F207 HydrophobicContact CG2-CZ 4.3Å
159	G	97.7	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	176.6	168.2	0	0	0	0	0	114	I95 K122	I95-G159 PolarHBondContact N-O 2.99Å; I95-G159 PolarHBondContact O-N 3.48Å; K122-G159 VanDerWaalsContact O-CA 3.27Å; K122-G159 WeakPolarHBondContact O-CA 3.24Å
160	P	96.6	Very high	97.1	Very high	17 Å²	17	22.7 Å²	22.7	11%	0.11	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.1	178	-23.1	33	0	0	0	112	Q93 L94 K122 A162 N163 L164	Q93-P160 CarbonylContact O-C 3.54Å; Q93-P160 WeakPolarHBondContact O-CA 3.27Å; L94-P160 HydrophobicContact CD2-CG 4.13Å; K122-P160 HydrophobicContact CB-CG 4.22Å; K122-P160 WeakPolarHBondContact O-CD 3.3Å; P160-A162 PolarHBondContact O-N 3.39Å; P160-A162 VanDerWaalsContact O-N 3.12Å; P160-N163 WeakPolarHBondContact O-CB 3.31Å; P160-N163 PolarHBondContact O-N 2.92Å; P160-L164 PolarHBondContact O-N 3.25Å
161	T	96.4	Very high	97	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-45.5	-46.4	176.7	-53.8	0	0	0	0	112.2	L84 Y89 K90 P91 Q93 N163 L164 I165	L84-T161 HydrophobicContact CD2-CG2 4.27Å; Y89-T161 HydrophobicContact CG-CG2 4.49Å; K90-T161 VanDerWaalsContact O-CB 3.24Å; K90-T161 WeakPolarHBondContact O-CB 3.49Å; K90-T161 PolarHBondContact O-OG1 2.88Å; P91-T161 PolarHBondContact O-N 2.95Å; Q93-T161 PolarHBondContact O-N 3.45Å; Q93-T161 PolarHBondContact O-OG1 3.21Å; T161-N163 VanDerWaalsContact C-N 3.28Å; T161-N163 PolarHBondContact O-N 2.9Å; T161-L164 PolarHBondContact O-N 2.59Å; T161-I165 HydrophobicContact CG2-CD1 3.82Å; T161-I165 HydrophobicContact CG2-CG1 4.33Å; T161-I165 WeakPolarHBondContact O-CG1 3.21Å; T161-I165 PolarHBondContact O-N 2.97Å
162	A	95.2	Very high	96.9	Very high	35 Å²	35	28.7 Å²	28.7	29%	0.289	16%	0.156	S	C	.	.	H	α-helix	trans	-64.1	-31	-177.8	0	0	0	0	0	113.7	P91 P160 K166	P91-A162 HydrophobicContact CB-CB 4.02Å; P91-A162 VanDerWaalsContact O-CB 3.3Å; P91-A162 WeakPolarHBondContact O-CB 3.43Å; P91-A162 PolarHBondContact O-N 3.15Å; P160-A162 PolarHBondContact O-N 3.39Å; P160-A162 VanDerWaalsContact O-N 3.12Å; A162-K166 WeakPolarHBondContact O-CG 3.5Å
163	N	96.5	Very high	96.8	Very high	18 Å²	18	29.5 Å²	29.5	10%	0.096	16%	0.16	C	C	.	.	H	α-helix	trans	-76.1	-46	174.6	-74	56	0	0	0	110.1	V123 P160 T161 I165 K166 I167 Y196	V123-N163 HydrophobicContact CG2-CB 3.54Å; P160-N163 WeakPolarHBondContact O-CB 3.31Å; P160-N163 PolarHBondContact O-N 2.92Å; T161-N163 VanDerWaalsContact C-N 3.28Å; T161-N163 PolarHBondContact O-N 2.9Å; N163-I165 VanDerWaalsContact C-N 3.34Å; N163-I165 PolarHBondContact O-N 3.27Å; N163-K166 WeakPolarHBondContact O-CB 3.44Å; N163-K166 PolarHBondContact O-N 3.36Å; N163-K166 VanDerWaalsContact O-N 3.08Å; N163-I167 WeakPolarHBondContact O-CG1 3.5Å; N163-I167 PolarHBondContact O-N 2.85Å; N163-I167 VanDerWaalsContact O-N 3.11Å; N163-Y196 PolarHBondContact ND2-O 3.11Å
164	L	97.4	Very high	96.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-39.2	-179.2	-61.1	-166.7	0	0	0	112.5	L84 I95 V123 F157 P160 T161 K166 I167 V168	L84-L164 HydrophobicContact CD1-CB 3.92Å; I95-L164 HydrophobicContact CB-CD1 3.56Å; I95-L164 HydrophobicContact CG1-CD1 4.48Å; I95-L164 HydrophobicContact CG2-CD1 3.68Å; V123-L164 HydrophobicContact CG1-CD2 3.93Å; V123-L164 HydrophobicContact CG2-CD2 4.3Å; F157-L164 HydrophobicContact CD2-CD2 4.09Å; F157-L164 HydrophobicContact CE2-CD1 4.32Å; F157-L164 HydrophobicContact CE2-CD2 4.24Å; P160-L164 PolarHBondContact O-N 3.25Å; T161-L164 PolarHBondContact O-N 2.59Å; L164-K166 PolarHBondContact O-N 3.04Å; L164-I167 HydrophobicContact CD2-CD1 4.28Å; L164-I167 PolarHBondContact O-N 2.77Å; L164-I167 VanDerWaalsContact O-N 3.1Å; L164-V168 WeakPolarHBondContact O-CG2 3.4Å; L164-V168 PolarHBondContact O-N 3.08Å
165	I	96.7	Very high	96.6	Very high	61 Å²	61	38 Å²	38	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-54.9	-41.8	173.5	-74.6	169.8	0	0	0	111	L84 T161 N163 N169	L84-I165 HydrophobicContact CB-CD1 4.48Å; L84-I165 HydrophobicContact CB-CG1 3.76Å; L84-I165 HydrophobicContact CD1-CG1 4.35Å; T161-I165 HydrophobicContact CG2-CD1 3.82Å; T161-I165 HydrophobicContact CG2-CG1 4.33Å; T161-I165 WeakPolarHBondContact O-CG1 3.21Å; T161-I165 PolarHBondContact O-N 2.97Å; N163-I165 VanDerWaalsContact C-N 3.34Å; N163-I165 PolarHBondContact O-N 3.27Å; I165-N169 WeakPolarHBondContact O-CB 3.26Å; I165-N169 PolarHBondContact O-N 3.09Å; I165-N169 PolarHBondContact O-ND2 2.84Å
166	K	96.1	Very high	96.4	Very high	109 Å²	109	42.6 Å²	42.6	47%	0.474	22%	0.223	S	C	.	.	H	α-helix	trans	-68.8	-39.4	178.8	-64.4	172.2	-174.4	177.2	0	111.7	A162 N163 L164 H170 Y196	A162-K166 WeakPolarHBondContact O-CG 3.5Å; N163-K166 WeakPolarHBondContact O-CB 3.44Å; N163-K166 PolarHBondContact O-N 3.36Å; N163-K166 VanDerWaalsContact O-N 3.08Å; L164-K166 PolarHBondContact O-N 3.04Å; K166-H170 PolarHBondContact O-N 3.24Å; K166-Y196 HydrophobicContact CB-CD1 3.81Å; K166-Y196 HydrophobicContact CB-CE1 3.54Å; K166-Y196 HydrophobicContact CD-CD1 4.32Å; K166-Y196 HydrophobicContact CD-CE1 4.35Å; K166-Y196 HydrophobicContact CG-CE1 4.5Å
167	I	97.4	Very high	96.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-51.3	-179.8	-65.5	170.8	0	0	0	110.7	V123 F125 N163 L164 N169 H170 Y182 Y183 I186 Y196 I198	V123-I167 HydrophobicContact CB-CD1 4.29Å; V123-I167 HydrophobicContact CG1-CD1 3.82Å; V123-I167 HydrophobicContact CG2-CD1 4.01Å; F125-I167 HydrophobicContact CE2-CD1 4.4Å; F125-I167 HydrophobicContact CZ-CG2 4.47Å; N163-I167 WeakPolarHBondContact O-CG1 3.5Å; N163-I167 PolarHBondContact O-N 2.85Å; N163-I167 VanDerWaalsContact O-N 3.11Å; L164-I167 HydrophobicContact CD2-CD1 4.28Å; L164-I167 PolarHBondContact O-N 2.77Å; L164-I167 VanDerWaalsContact O-N 3.1Å; I167-N169 PolarHBondContact O-N 2.76Å; I167-H170 VanDerWaalsContact O-CB 3.25Å; I167-H170 WeakPolarHBondContact O-CB 3.15Å; I167-H170 PolarHBondContact O-N 3.43Å; I167-H170 VanDerWaalsContact O-N 3.08Å; I167-Y182 PolarHBondContact O-OH 2.93Å; I167-Y183 HydrophobicContact CG2-CD1 3.87Å; I167-Y183 HydrophobicContact CG2-CE1 3.78Å; I167-I186 HydrophobicContact CG2-CD1 4.01Å; I167-Y196 HydrophobicContact CG1-CD1 4.41Å; I167-Y196 HydrophobicContact CG1-CD2 3.75Å; I167-Y196 HydrophobicContact CG1-CE2 4.44Å; I167-Y196 HydrophobicContact CG1-CG 3.72Å; I167-I198 HydrophobicContact CD1-CD1 3.97Å; I167-I198 HydrophobicContact CD1-CG1 4.14Å; I167-I198 HydrophobicContact CG1-CD1 4.4Å
168	V	96.8	Very high	96.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-11.6	-177.9	-56	0	0	0	0	113.5	L80 K81 L84 L164 Y182	L80-V168 HydrophobicContact CD2-CG1 3.78Å; L80-V168 HydrophobicContact CG-CG1 4.12Å; K81-V168 HydrophobicContact CB-CB 4.21Å; K81-V168 HydrophobicContact CB-CG2 3.97Å; K81-V168 HydrophobicContact CG-CG2 4.38Å; L84-V168 HydrophobicContact CD1-CG2 4.23Å; L164-V168 WeakPolarHBondContact O-CG2 3.4Å; L164-V168 PolarHBondContact O-N 3.08Å; V168-Y182 PolarHBondContact O-OH 2.98Å
169	N	96.1	Very high	96.1	Very high	75 Å²	75	46.8 Å²	46.8	40%	0.401	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	10.3	173.9	-73.6	-70	0	0	0	113.3	K81 I165 I167 E171	K81-N169 WeakPolarHBondContact CD-OD1 3.39Å; K81-N169 WeakPolarHBondContact CE-OD1 3.39Å; K81-N169 PolarHBondContact NZ-OD1 3.32Å; I165-N169 WeakPolarHBondContact O-CB 3.26Å; I165-N169 PolarHBondContact O-N 3.09Å; I165-N169 PolarHBondContact O-ND2 2.84Å; I167-N169 PolarHBondContact O-N 2.76Å; N169-E171 PolarHBondContact O-N 3.15Å
170	H	94.9	Very high	96	Very high	70 Å²	70	47.2 Å²	47.2	32%	0.324	25%	0.247	S	C	.	.	S	Bend	trans	-58	-50.1	-177.2	-177.2	77.2	0	0	0	111.9	K166 I167 Y182 I186 S192 Y196	K166-H170 PolarHBondContact O-N 3.24Å; I167-H170 VanDerWaalsContact O-CB 3.25Å; I167-H170 WeakPolarHBondContact O-CB 3.15Å; I167-H170 PolarHBondContact O-N 3.43Å; I167-H170 VanDerWaalsContact O-N 3.08Å; H170-Y182 PolarHBondContact N-OH 3.05Å; H170-I186 HydrophobicContact CB-CD1 3.66Å; H170-I186 HydrophobicContact CB-CG1 4.11Å; H170-S192 PolarHBondContact CE1-OG 3.46Å; H170-Y196 HydrophobicContact CB-CE2 4.49Å; H170-Y196 AromaticContact ND1-CE2 3.56Å; H170-Y196 AromaticContact ND1-CZ 3.72Å; H170-Y196 PolarHBondContact ND1-OH 3.42Å
171	E	95.1	Very high	96.1	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	25%	0.248	S	C	.	.	S	Bend	trans	-144.7	160.4	170.4	65.3	-176.9	176.1	0	0	111.1	N169 Y182	N169-E171 PolarHBondContact O-N 3.15Å; E171-Y182 HydrophobicContact CG-CD2 4.05Å; E171-Y182 HydrophobicContact CG-CE2 3.5Å; E171-Y182 VanDerWaalsContact CG-CE2 3.5Å; E171-Y182 PolarHBondContact N-OH 3.31Å; E171-Y182 VanDerWaalsContact O-CE2 3.3Å; E171-Y182 WeakPolarHBondContact O-CE2 3.34Å; E171-Y182 PolarHBondContact O-OH 2.95Å
172	P	95.5	Very high	96.1	Very high	119 Å²	119	47.8 Å²	47.8	77%	0.773	25%	0.248	S	C	*	.			trans	-65.3	145.2	169.9	-18.4	32.2	0	0	0	112.1
173	I	96.2	Very high	96.3	Very high	19 Å²	19	46.3 Å²	46.3	10%	0.097	24%	0.236	C	C	.	.			trans	-134	138.5	177.1	-171.1	177.4	0	0	0	109.4	V77 N78 D177 Y182	V77-I173 HydrophobicContact CB-CD1 4.49Å; V77-I173 HydrophobicContact CB-CG2 3.96Å; V77-I173 HydrophobicContact CG1-CG2 3.96Å; V77-I173 HydrophobicContact CG2-CD1 4.2Å; N78-I173 PolarHBondContact ND2-O 2.9Å; N78-I173 WeakPolarHBondContact OD1-CG2 3.32Å; N78-I173 PolarHBondContact OD1-O 3.47Å; I173-D177 HydrophobicContact CD1-CB 4.15Å; I173-D177 HydrophobicContact CG1-CB 3.57Å; I173-Y182 HydrophobicContact CB-CD2 4Å; I173-Y182 HydrophobicContact CB-CE2 4.12Å; I173-Y182 HydrophobicContact CD1-CD2 3.85Å; I173-Y182 HydrophobicContact CD1-CG 3.88Å; I173-Y182 HydrophobicContact CG1-CD2 4.26Å; I173-Y182 HydrophobicContact CG2-CE2 4.49Å
174	K	96.1	Very high	96.3	Very high	139 Å²	139	45.6 Å²	45.6	60%	0.604	23%	0.232	S	C	*	.			trans	-77.1	159	173.4	-59.4	173.7	-178.3	171.8	0	110.4	D176 D177	K174-D176 WeakPolarHBondContact CB-OD1 3.45Å; K174-D176 PolarHBondContact O-N 3.31Å; K174-D177 HydrophobicContact CB-CB 4.33Å; K174-D177 VanDerWaalsContact CB-OD2 3.26Å; K174-D177 WeakPolarHBondContact CB-OD2 3.47Å; K174-D177 WeakPolarHBondContact CG-OD2 3.45Å; K174-D177 PolarHBondContact N-OD2 3.22Å; K174-D177 PolarHBondContact O-N 3.31Å
175	D	95.3	Very high	96.3	Very high	48 Å²	48	50.5 Å²	50.5	26%	0.257	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-38.5	179.7	-75.7	-14.9	0	0	0	112.1	K63 G64 G74 Q75 N78	K63-D175 HydrophobicContact CB-CB 3.86Å; K63-D175 WeakPolarHBondContact CD-OD2 3.41Å; G64-D175 VanDerWaalsContact CA-O 3.23Å; G64-D175 WeakPolarHBondContact CA-O 3.44Å; G74-D175 CarbonylContact C-O 3.57Å; G74-D175 WeakPolarHBondContact CA-O 3.47Å; G74-D175 PolarHBondContact N-O 3.37Å; G74-D175 VanDerWaalsContact N-O 3.11Å; Q75-D175 HydrophobicContact CB-CB 4.01Å; Q75-D175 PolarHBondContact N-O 3.11Å; N78-D175 PolarHBondContact ND2-OD1 3.31Å
176	D	93.8	Very high	96.4	Very high	98 Å²	98	47.6 Å²	47.6	52%	0.524	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.9	-177.9	63.3	-30.6	0	0	0	114.9	K174	K174-D176 WeakPolarHBondContact CB-OD1 3.45Å; K174-D176 PolarHBondContact O-N 3.31Å
177	D	95.6	Very high	96.5	Very high	66 Å²	66	42.8 Å²	42.8	35%	0.353	22%	0.217	S	C	.	.	S	Bend	trans	-70.5	163.4	170.7	-73.5	-29.9	0	0	0	110.5	G72 G73 G74 I173 K174	G72-D177 CarbonylContact C-O 3.48Å; G72-D177 WeakPolarHBondContact CA-O 3.46Å; G73-D177 PolarHBondContact N-O 3.22Å; G74-D177 WeakPolarHBondContact CA-O 3.24Å; G74-D177 PolarHBondContact N-O 3.01Å; I173-D177 HydrophobicContact CD1-CB 4.15Å; I173-D177 HydrophobicContact CG1-CB 3.57Å; K174-D177 HydrophobicContact CB-CB 4.33Å; K174-D177 VanDerWaalsContact CB-OD2 3.26Å; K174-D177 WeakPolarHBondContact CB-OD2 3.47Å; K174-D177 WeakPolarHBondContact CG-OD2 3.45Å; K174-D177 PolarHBondContact N-OD2 3.22Å; K174-D177 PolarHBondContact O-N 3.31Å
178	D	95.5	Very high	96.4	Very high	14 Å²	14	44.2 Å²	44.2	8%	0.075	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-82	119	-176.8	-164.8	76.2	0	0	0	112.6	T71 G72 W132 P133 Q180 L181 Y182	T71-D178 VanDerWaalsContact CA-OD1 3.26Å; T71-D178 WeakPolarHBondContact CA-OD1 3.3Å; T71-D178 WeakPolarHBondContact CB-OD1 3.39Å; T71-D178 HydrophobicContact CG2-CB 4.3Å; T71-D178 WeakPolarHBondContact CG2-OD1 3.26Å; G72-D178 PolarHBondContact N-OD1 3.23Å; G72-D178 VanDerWaalsContact N-OD1 3.09Å; G72-D178 WeakPolarHBondContact O-CA 3.47Å; W132-D178 VanDerWaalsContact CH2-OD1 3.25Å; W132-D178 WeakPolarHBondContact CH2-OD1 3.45Å; W132-D178 WeakPolarHBondContact CZ3-OD1 2.99Å; P133-D178 VanDerWaalsContact CD-OD2 3.3Å; P133-D178 WeakPolarHBondContact CD-OD2 3.2Å; P133-D178 HydrophobicContact CG-CB 4.44Å; P133-D178 VanDerWaalsContact CG-OD2 3.32Å; P133-D178 WeakPolarHBondContact CG-OD2 3.38Å; D178-Q180 WeakPolarHBondContact OD2-CB 3.42Å; D178-Q180 PolarHBondContact OD2-N 2.73Å; D178-L181 HydrophobicContact CB-CB 3.85Å; D178-L181 WeakPolarHBondContact OD2-CB 3.24Å; D178-L181 PolarHBondContact OD2-N 3.28Å; D178-Y182 PolarHBondContact O-N 2.76Å; D178-Y182 VanDerWaalsContact O-N 3.16Å
179	D	96.4	Very high	96.4	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-40	178.2	67.2	-41.9	0	0	0	111.8	G72 K76 V77 S154 Y182 Y183	G72-D179 PolarHBondContact O-N 3.46Å; G72-D179 VanDerWaalsContact O-N 3.08Å; K76-D179 WeakPolarHBondContact CE-OD2 3.3Å; K76-D179 IonicContact NZ-OD2 2.7Å; K76-D179 PolarHBondContact NZ-OD2 3.02Å; V77-D179 HydrophobicContact CG2-CB 3.74Å; S154-D179 PolarHBondContact OG-OD2 2.92Å; D179-Y182 WeakPolarHBondContact O-CB 3.36Å; D179-Y182 PolarHBondContact O-N 3.46Å; D179-Y183 WeakPolarHBondContact O-CD2 3.25Å; D179-Y183 PolarHBondContact O-N 3.46Å
180	Q	97.3	Very high	96.4	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-42.7	179	-176.3	153.7	-49	0	0	112.3	E128 W132 L152 N153 S154 D178 Y182 Y183 T184	E128-Q180 PolarHBondContact OE1-NE2 2.93Å; E128-Q180 PolarHBondContact OE1-OE1 3.28Å; W132-Q180 HydrophobicContact CE3-CB 4.15Å; W132-Q180 HydrophobicContact CE3-CG 4.23Å; W132-Q180 HydrophobicContact CZ3-CB 4.02Å; W132-Q180 WeakPolarHBondContact O-CG 3.45Å; W132-Q180 PolarHBondContact O-NE2 3.16Å; L152-Q180 PolarHBondContact O-NE2 3.31Å; N153-Q180 PolarHBondContact ND2-OE1 2.88Å; S154-Q180 WeakPolarHBondContact OG-CA 3.43Å; D178-Q180 WeakPolarHBondContact OD2-CB 3.42Å; D178-Q180 PolarHBondContact OD2-N 2.73Å; Q180-Y182 VanDerWaalsContact C-N 3.31Å; Q180-Y182 PolarHBondContact O-N 3.35Å; Q180-Y183 PolarHBondContact O-N 3.46Å; Q180-T184 WeakPolarHBondContact O-CB 3.39Å; Q180-T184 PolarHBondContact O-N 3.4Å; Q180-T184 PolarHBondContact O-OG1 3.09Å
181	L	97.1	Very high	96.4	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-37.3	176.1	-173.5	58.6	0	0	0	111.9	P133 Q134 L137 D178 T184 K185	P133-L181 HydrophobicContact CG-CB 3.89Å; P133-L181 HydrophobicContact CG-CD1 4.43Å; P133-L181 HydrophobicContact CG-CD2 4.41Å; P133-L181 HydrophobicContact CG-CG 4.46Å; Q134-L181 HydrophobicContact CB-CD1 4.39Å; Q134-L181 HydrophobicContact CG-CD1 3.98Å; Q134-L181 HydrophobicContact CG-CD2 4.45Å; L137-L181 HydrophobicContact CD1-CD1 3.93Å; D178-L181 HydrophobicContact CB-CB 3.85Å; D178-L181 WeakPolarHBondContact OD2-CB 3.24Å; D178-L181 PolarHBondContact OD2-N 3.28Å; L181-T184 PolarHBondContact O-N 2.88Å; L181-K185 HydrophobicContact CD1-CG 4.45Å; L181-K185 WeakPolarHBondContact O-CG 3.47Å; L181-K185 PolarHBondContact O-N 2.91Å
182	Y	97.7	Very high	96.5	Very high	6 Å²	6	44.8 Å²	44.8	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-55.3	175.5	177.6	-92.9	0	0	0	111.5	V77 I167 V168 H170 E171 I173 D178 D179 Q180 T184 K185 I186	V77-Y182 HydrophobicContact CG1-CD1 4.23Å; V77-Y182 HydrophobicContact CG1-CE1 3.94Å; I167-Y182 PolarHBondContact O-OH 2.93Å; V168-Y182 PolarHBondContact O-OH 2.98Å; H170-Y182 PolarHBondContact N-OH 3.05Å; E171-Y182 HydrophobicContact CG-CD2 4.05Å; E171-Y182 HydrophobicContact CG-CE2 3.5Å; E171-Y182 VanDerWaalsContact CG-CE2 3.5Å; E171-Y182 PolarHBondContact N-OH 3.31Å; E171-Y182 VanDerWaalsContact O-CE2 3.3Å; E171-Y182 WeakPolarHBondContact O-CE2 3.34Å; E171-Y182 PolarHBondContact O-OH 2.95Å; I173-Y182 HydrophobicContact CB-CD2 4Å; I173-Y182 HydrophobicContact CB-CE2 4.12Å; I173-Y182 HydrophobicContact CD1-CD2 3.85Å; I173-Y182 HydrophobicContact CD1-CG 3.88Å; I173-Y182 HydrophobicContact CG1-CD2 4.26Å; I173-Y182 HydrophobicContact CG2-CE2 4.49Å; D178-Y182 PolarHBondContact O-N 2.76Å; D178-Y182 VanDerWaalsContact O-N 3.16Å; D179-Y182 WeakPolarHBondContact O-CB 3.36Å; D179-Y182 PolarHBondContact O-N 3.46Å; Q180-Y182 VanDerWaalsContact C-N 3.31Å; Q180-Y182 PolarHBondContact O-N 3.35Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 2.85Å; Y182-K185 PolarHBondContact O-N 3.46Å; Y182-I186 HydrophobicContact CD1-CD1 3.94Å; Y182-I186 HydrophobicContact CE1-CD1 3.53Å; Y182-I186 WeakPolarHBondContact O-CG1 3.37Å; Y182-I186 PolarHBondContact O-N 2.93Å
183	Y	98.2	Very high	96.5	Very high	5 Å²	5	42 Å²	42	2%	0.02	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-34.1	178.6	-65	-65.4	0	0	0	112.6	V77 F125 F157 I167 D179 Q180 I186 F187	V77-Y183 HydrophobicContact CG2-CE2 3.85Å; F125-Y183 AromaticContact CE1-CD1 3.7Å; F125-Y183 HydrophobicContact CE1-CD1 3.7Å; F125-Y183 HydrophobicContact CE1-CD2 4.35Å; F125-Y183 HydrophobicContact CE1-CE1 4.28Å; F125-Y183 AromaticContact CE1-CG 3.73Å; F125-Y183 HydrophobicContact CE1-CG 3.73Å; F125-Y183 AromaticContact CZ-CD1 3.69Å; F125-Y183 HydrophobicContact CZ-CD1 3.69Å; F125-Y183 HydrophobicContact CZ-CE1 4.23Å; F125-Y183 HydrophobicContact CZ-CG 4.18Å; F157-Y183 HydrophobicContact CE1-CE2 4.06Å; F157-Y183 AromaticContact CE1-CZ 3.95Å; F157-Y183 HydrophobicContact CZ-CE1 4.34Å; F157-Y183 HydrophobicContact CZ-CE2 4.42Å; F157-Y183 AromaticContact CZ-CZ 3.87Å; I167-Y183 HydrophobicContact CG2-CD1 3.87Å; I167-Y183 HydrophobicContact CG2-CE1 3.78Å; D179-Y183 WeakPolarHBondContact O-CD2 3.25Å; D179-Y183 PolarHBondContact O-N 3.46Å; Q180-Y183 PolarHBondContact O-N 3.46Å; Y183-I186 PolarHBondContact O-N 2.89Å; Y183-F187 PolarHBondContact O-N 2.83Å
184	T	97.9	Very high	96.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-47.8	175.5	-69.4	0	0	0	0	111.5	L137 Y141 Q180 L181 Y182 I186 F187 L188	L137-T184 HydrophobicContact CD1-CG2 3.8Å; Y141-T184 HydrophobicContact CE2-CG2 4.16Å; Y141-T184 WeakPolarHBondContact OH-CG2 3.46Å; Y141-T184 PolarHBondContact OH-OG1 3.06Å; Q180-T184 WeakPolarHBondContact O-CB 3.39Å; Q180-T184 PolarHBondContact O-N 3.4Å; Q180-T184 PolarHBondContact O-OG1 3.09Å; L181-T184 PolarHBondContact O-N 2.88Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 2.85Å; T184-I186 VanDerWaalsContact C-N 3.32Å; T184-I186 PolarHBondContact O-N 2.81Å; T184-F187 PolarHBondContact O-N 3.35Å; T184-L188 HydrophobicContact CG2-CD1 3.66Å; T184-L188 HydrophobicContact CG2-CG 4.17Å; T184-L188 WeakPolarHBondContact O-CB 3.16Å; T184-L188 VanDerWaalsContact O-CG 3.23Å; T184-L188 WeakPolarHBondContact O-CG 3.24Å; T184-L188 PolarHBondContact O-N 2.99Å
185	K	97.3	Very high	96.5	Very high	103 Å²	103	44.9 Å²	44.9	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-59.9	-42.6	178.1	-73.5	172.3	179.5	173.6	0	112.1	L181 Y182 F187 L188 D189	L181-K185 HydrophobicContact CD1-CG 4.45Å; L181-K185 WeakPolarHBondContact O-CG 3.47Å; L181-K185 PolarHBondContact O-N 2.91Å; Y182-K185 PolarHBondContact O-N 3.46Å; K185-F187 VanDerWaalsContact C-N 3.34Å; K185-F187 PolarHBondContact O-N 3.49Å; K185-L188 PolarHBondContact O-N 2.98Å; K185-D189 PolarHBondContact O-N 3.03Å; K185-D189 VanDerWaalsContact O-N 3.07Å
186	I	97.5	Very high	96.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-43.3	176.5	-63.1	170.9	0	0	0	111	I167 H170 Y182 Y183 T184 Y196 I198	I167-I186 HydrophobicContact CG2-CD1 4.01Å; H170-I186 HydrophobicContact CB-CD1 3.66Å; H170-I186 HydrophobicContact CB-CG1 4.11Å; Y182-I186 HydrophobicContact CD1-CD1 3.94Å; Y182-I186 HydrophobicContact CE1-CD1 3.53Å; Y182-I186 WeakPolarHBondContact O-CG1 3.37Å; Y182-I186 PolarHBondContact O-N 2.93Å; Y183-I186 PolarHBondContact O-N 2.89Å; T184-I186 VanDerWaalsContact C-N 3.32Å; T184-I186 PolarHBondContact O-N 2.81Å; I186-Y196 HydrophobicContact CG2-CD2 3.67Å; I186-Y196 HydrophobicContact CG2-CE2 3.82Å; I186-I198 HydrophobicContact CG2-CD1 3.96Å
187	F	97.9	Very high	96.7	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-33.8	179.4	179.6	-98.7	0	0	0	113.2	Y141 P142 L152 Y183 T184 K185 R193 I198 L200	Y141-F187 AromaticContact CD1-CD1 3.93Å; Y141-F187 HydrophobicContact CD1-CD1 3.93Å; Y141-F187 AromaticContact CD1-CE1 3.62Å; Y141-F187 HydrophobicContact CD1-CE1 3.62Å; Y141-F187 AromaticContact CE1-CD1 3.6Å; Y141-F187 HydrophobicContact CE1-CD1 3.6Å; Y141-F187 AromaticContact CE1-CE1 3.72Å; Y141-F187 HydrophobicContact CE1-CE1 3.72Å; P142-F187 HydrophobicContact CG-CE1 4.44Å; P142-F187 HydrophobicContact CG-CZ 4.47Å; L152-F187 HydrophobicContact CD1-CB 3.76Å; L152-F187 HydrophobicContact CD1-CG 4.15Å; Y183-F187 PolarHBondContact O-N 2.83Å; T184-F187 PolarHBondContact O-N 3.35Å; K185-F187 VanDerWaalsContact C-N 3.34Å; K185-F187 PolarHBondContact O-N 3.49Å; F187-R193 HydrophobicContact CD2-CG 4.13Å; F187-R193 HydrophobicContact CE2-CG 4.13Å; F187-R193 WeakPolarHBondContact O-CD 3.36Å; F187-R193 PolarHBondContact O-NH1 3.27Å; F187-I198 HydrophobicContact CD2-CB 4.33Å; F187-I198 HydrophobicContact CD2-CG2 3.69Å; F187-I198 HydrophobicContact CE2-CG2 4.18Å; F187-L200 HydrophobicContact CD1-CD1 4.48Å; F187-L200 HydrophobicContact CD2-CD2 3.96Å; F187-L200 HydrophobicContact CD2-CG 4.4Å; F187-L200 HydrophobicContact CE1-CD1 3.78Å; F187-L200 HydrophobicContact CE1-CD2 4.42Å; F187-L200 HydrophobicContact CE1-CG 4.13Å; F187-L200 HydrophobicContact CE2-CD1 4.28Å; F187-L200 HydrophobicContact CE2-CD2 3.72Å; F187-L200 HydrophobicContact CE2-CG 3.69Å; F187-L200 HydrophobicContact CG-CD2 4.4Å; F187-L200 HydrophobicContact CZ-CD1 3.66Å; F187-L200 HydrophobicContact CZ-CD2 3.98Å; F187-L200 HydrophobicContact CZ-CG 3.53Å
188	L	97.4	Very high	96.8	Very high	31 Å²	31	38.5 Å²	38.5	16%	0.162	21%	0.206	C	C	.	.	H	α-helix	trans	-75.8	-29.4	-179.9	-71	-179.8	0	0	0	112.8	L137 S140 Y141 T184 K185 S190	L137-L188 HydrophobicContact CB-CD1 3.83Å; L137-L188 HydrophobicContact CD1-CD1 3.89Å; L137-L188 HydrophobicContact CD2-CD1 4.17Å; L137-L188 HydrophobicContact CG-CD1 4.19Å; S140-L188 VanDerWaalsContact C-CD2 3.48Å; S140-L188 WeakPolarHBondContact O-CD2 3.41Å; Y141-L188 HydrophobicContact CD1-CD2 4.12Å; Y141-L188 HydrophobicContact CD2-CD1 4.47Å; Y141-L188 HydrophobicContact CD2-CD2 3.58Å; Y141-L188 HydrophobicContact CD2-CG 4.48Å; Y141-L188 HydrophobicContact CE1-CD2 4.28Å; Y141-L188 HydrophobicContact CE2-CD1 4.09Å; Y141-L188 HydrophobicContact CE2-CD2 3.77Å; Y141-L188 HydrophobicContact CE2-CG 4.21Å; Y141-L188 HydrophobicContact CG-CD2 3.75Å; T184-L188 HydrophobicContact CG2-CD1 3.66Å; T184-L188 HydrophobicContact CG2-CG 4.17Å; T184-L188 WeakPolarHBondContact O-CB 3.16Å; T184-L188 VanDerWaalsContact O-CG 3.23Å; T184-L188 WeakPolarHBondContact O-CG 3.24Å; T184-L188 PolarHBondContact O-N 2.99Å; K185-L188 PolarHBondContact O-N 2.98Å; L188-S190 PolarHBondContact O-N 2.97Å; L188-S190 VanDerWaalsContact O-N 3.16Å
189	D	96.4	Very high	96.9	Very high	64 Å²	64	40.2 Å²	40.2	34%	0.342	21%	0.214	S	C	.	.	S	Bend	trans	-70.7	107.8	168.7	173.8	38.1	0	0	0	110.9	K185 T191 S192 R193	K185-D189 PolarHBondContact O-N 3.03Å; K185-D189 VanDerWaalsContact O-N 3.07Å; D189-T191 PolarHBondContact O-N 3.47Å; D189-T191 VanDerWaalsContact O-N 3.1Å; D189-T191 PolarHBondContact OD1-N 3.13Å; D189-S192 PolarHBondContact O-N 2.93Å; D189-S192 VanDerWaalsContact O-N 3.17Å; D189-S192 WeakPolarHBondContact OD2-CB 3.44Å; D189-S192 PolarHBondContact OD2-N 3.49Å; D189-S192 PolarHBondContact OD2-OG 3.32Å; D189-R193 WeakPolarHBondContact O-CB 3.34Å; D189-R193 PolarHBondContact O-N 2.91Å
190	S	95	Very high	97	Very high	68 Å²	68	39.9 Å²	39.9	48%	0.476	21%	0.212	S	C	.	.	H	α-helix	trans	-56.1	-30.3	-178.6	65.1	0	0	0	0	113.9	L188 T194	L188-S190 PolarHBondContact O-N 2.97Å; L188-S190 VanDerWaalsContact O-N 3.16Å; S190-T194 WeakPolarHBondContact O-CB 3.27Å; S190-T194 PolarHBondContact O-N 3.22Å; S190-T194 VanDerWaalsContact O-N 3.16Å; S190-T194 PolarHBondContact O-OG1 2.73Å
191	T	96.3	Very high	97	Very high	97 Å²	97	39.4 Å²	39.4	60%	0.595	21%	0.21	S	C	*	.	H	α-helix	trans	-70.5	-52.3	178.7	-51	0	0	0	0	109.9	D189 T194 L195	D189-T191 PolarHBondContact O-N 3.47Å; D189-T191 VanDerWaalsContact O-N 3.1Å; D189-T191 PolarHBondContact OD1-N 3.13Å; T191-T194 PolarHBondContact O-N 3.08Å; T191-L195 VanDerWaalsContact O-CB 3.25Å; T191-L195 WeakPolarHBondContact O-CB 3.37Å; T191-L195 PolarHBondContact O-N 3.29Å
192	S	95.9	Very high	97	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-42.7	177.3	-62.8	0	0	0	0	112.7	H170 D189 T194 L195 Y196	H170-S192 PolarHBondContact CE1-OG 3.46Å; D189-S192 PolarHBondContact O-N 2.93Å; D189-S192 VanDerWaalsContact O-N 3.17Å; D189-S192 WeakPolarHBondContact OD2-CB 3.44Å; D189-S192 PolarHBondContact OD2-N 3.49Å; D189-S192 PolarHBondContact OD2-OG 3.32Å; S192-T194 VanDerWaalsContact C-N 3.29Å; S192-T194 PolarHBondContact O-N 3.06Å; S192-L195 PolarHBondContact O-N 3.38Å; S192-Y196 WeakPolarHBondContact O-CB 3.27Å; S192-Y196 VanDerWaalsContact O-CD2 3.3Å; S192-Y196 WeakPolarHBondContact O-CD2 3.37Å; S192-Y196 PolarHBondContact O-N 2.99Å
193	R	96.4	Very high	97	Very high	59 Å²	59	41.8 Å²	41.8	22%	0.223	22%	0.222	C	C	.	.	H	α-helix	trans	-56.5	-43.1	174.7	-178.2	171.6	64.8	-140.8	6.4	112.2	F187 D189 D197 I198	F187-R193 HydrophobicContact CD2-CG 4.13Å; F187-R193 HydrophobicContact CE2-CG 4.13Å; F187-R193 WeakPolarHBondContact O-CD 3.36Å; F187-R193 PolarHBondContact O-NH1 3.27Å; D189-R193 WeakPolarHBondContact O-CB 3.34Å; D189-R193 PolarHBondContact O-N 2.91Å; R193-D197 WeakPolarHBondContact O-CA 3.38Å; R193-D197 PolarHBondContact O-N 3.2Å; R193-D197 VanDerWaalsContact O-N 3.13Å; R193-I198 HydrophobicContact CG-CB 4.28Å; R193-I198 PolarHBondContact O-N 2.7Å
194	T	96	Very high	97	Very high	110 Å²	110	41.6 Å²	41.6	68%	0.675	22%	0.221	S	C	*	.	H	α-helix	trans	-72.8	-41.9	177.8	-53.7	0	0	0	0	111.4	S190 T191 S192 D197	S190-T194 WeakPolarHBondContact O-CB 3.27Å; S190-T194 PolarHBondContact O-N 3.22Å; S190-T194 VanDerWaalsContact O-N 3.16Å; S190-T194 PolarHBondContact O-OG1 2.73Å; T191-T194 PolarHBondContact O-N 3.08Å; S192-T194 VanDerWaalsContact C-N 3.29Å; S192-T194 PolarHBondContact O-N 3.06Å; T194-D197 PolarHBondContact O-N 3.02Å
195	L	95.6	Very high	96.9	Very high	109 Å²	109	45.6 Å²	45.6	57%	0.571	24%	0.236	S	C	*	.	H	α-helix	trans	-63.6	-41.9	-178.3	177.3	63.5	0	0	0	112.8	T191 S192	T191-L195 VanDerWaalsContact O-CB 3.25Å; T191-L195 WeakPolarHBondContact O-CB 3.37Å; T191-L195 PolarHBondContact O-N 3.29Å; S192-L195 PolarHBondContact O-N 3.38Å
196	Y	95.9	Very high	97	Very high	22 Å²	22	40.7 Å²	40.7	9%	0.086	21%	0.214	C	C	.	.	H	α-helix	trans	-90.7	-5.5	-179.7	-55.6	-35.6	0	0	0	113.2	N163 K166 I167 H170 I186 S192 I198	N163-Y196 PolarHBondContact ND2-O 3.11Å; K166-Y196 HydrophobicContact CB-CD1 3.81Å; K166-Y196 HydrophobicContact CB-CE1 3.54Å; K166-Y196 HydrophobicContact CD-CD1 4.32Å; K166-Y196 HydrophobicContact CD-CE1 4.35Å; K166-Y196 HydrophobicContact CG-CE1 4.5Å; I167-Y196 HydrophobicContact CG1-CD1 4.41Å; I167-Y196 HydrophobicContact CG1-CD2 3.75Å; I167-Y196 HydrophobicContact CG1-CE2 4.44Å; I167-Y196 HydrophobicContact CG1-CG 3.72Å; H170-Y196 HydrophobicContact CB-CE2 4.49Å; H170-Y196 AromaticContact ND1-CE2 3.56Å; H170-Y196 AromaticContact ND1-CZ 3.72Å; H170-Y196 PolarHBondContact ND1-OH 3.42Å; I186-Y196 HydrophobicContact CG2-CD2 3.67Å; I186-Y196 HydrophobicContact CG2-CE2 3.82Å; S192-Y196 WeakPolarHBondContact O-CB 3.27Å; S192-Y196 VanDerWaalsContact O-CD2 3.3Å; S192-Y196 WeakPolarHBondContact O-CD2 3.37Å; S192-Y196 PolarHBondContact O-N 2.99Å; Y196-I198 HydrophobicContact CD2-CD1 4.25Å
197	D	96.9	Very high	97	Very high	46 Å²	46	40.8 Å²	40.8	25%	0.246	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	63.8	178	-171.1	22.6	0	0	0	111.9	S121 K122 V123 R193 T194	S121-D197 VanDerWaalsContact CA-OD1 3.3Å; S121-D197 WeakPolarHBondContact CA-OD1 3.3Å; S121-D197 WeakPolarHBondContact CB-O 3.46Å; S121-D197 VanDerWaalsContact CB-OD1 3.24Å; S121-D197 WeakPolarHBondContact CB-OD1 3.3Å; S121-D197 PolarHBondContact OG-OD1 2.98Å; K122-D197 HydrophobicContact CB-CB 4.34Å; K122-D197 WeakPolarHBondContact CB-OD2 3.33Å; K122-D197 WeakPolarHBondContact CG-OD2 3.39Å; K122-D197 PolarHBondContact N-O 3.38Å; K122-D197 PolarHBondContact N-OD2 3.37Å; V123-D197 PolarHBondContact N-O 2.86Å; R193-D197 WeakPolarHBondContact O-CA 3.38Å; R193-D197 PolarHBondContact O-N 3.2Å; R193-D197 VanDerWaalsContact O-N 3.13Å; T194-D197 PolarHBondContact O-N 3.02Å
198	I	98.1	Very high	97.1	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.4	-173.5	-55.5	169.7	0	0	0	111.6	V123 F125 I167 I186 F187 R193 Y196	V123-I198 HydrophobicContact CB-CG1 4.18Å; V123-I198 HydrophobicContact CG1-CG1 4.44Å; V123-I198 CarbonylContact O-C 3.59Å; V123-I198 WeakPolarHBondContact O-CA 3.47Å; F125-I198 HydrophobicContact CD2-CG2 3.51Å; F125-I198 HydrophobicContact CE2-CD1 4.31Å; F125-I198 HydrophobicContact CE2-CG1 4.43Å; F125-I198 HydrophobicContact CE2-CG2 3.84Å; I167-I198 HydrophobicContact CD1-CD1 3.97Å; I167-I198 HydrophobicContact CD1-CG1 4.14Å; I167-I198 HydrophobicContact CG1-CD1 4.4Å; I186-I198 HydrophobicContact CG2-CD1 3.96Å; F187-I198 HydrophobicContact CD2-CB 4.33Å; F187-I198 HydrophobicContact CD2-CG2 3.69Å; F187-I198 HydrophobicContact CE2-CG2 4.18Å; R193-I198 HydrophobicContact CG-CB 4.28Å; R193-I198 PolarHBondContact O-N 2.7Å; Y196-I198 HydrophobicContact CD2-CD1 4.25Å
199	E	97.4	Very high	97.1	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.1	169.7	179.3	168.8	-160.4	0	0	110.6	F119 K120 S121 V123 I124 F125	F119-E199 HydrophobicContact CD1-CG 4.26Å; K120-E199 PolarHBondContact N-OE2 3.1Å; S121-E199 VanDerWaalsContact CB-CB 3.49Å; S121-E199 PolarHBondContact N-OE2 2.83Å; V123-E199 PolarHBondContact O-N 2.65Å; I124-E199 WeakPolarHBondContact CA-O 3.48Å; I124-E199 HydrophobicContact CD1-CB 3.88Å; I124-E199 HydrophobicContact CD1-CG 4.49Å; F125-E199 PolarHBondContact N-O 2.51Å
200	L	98.2	Very high	97.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.8	174	-54.4	-175	0	0	0	110.1	F125 A127 Y141 R150 L152 F187 K202	F125-L200 HydrophobicContact CB-CD2 3.81Å; F125-L200 CarbonylContact O-C 3.55Å; F125-L200 WeakPolarHBondContact O-CA 3.38Å; A127-L200 HydrophobicContact CB-CB 4.19Å; Y141-L200 HydrophobicContact CE1-CD1 4.35Å; R150-L200 WeakPolarHBondContact O-CD1 3.43Å; L152-L200 HydrophobicContact CB-CD2 4.01Å; L152-L200 HydrophobicContact CD1-CD2 4.07Å; L152-L200 HydrophobicContact CG-CD2 4.17Å; F187-L200 HydrophobicContact CD1-CD1 4.48Å; F187-L200 HydrophobicContact CD2-CD2 3.96Å; F187-L200 HydrophobicContact CD2-CG 4.4Å; F187-L200 HydrophobicContact CE1-CD1 3.78Å; F187-L200 HydrophobicContact CE1-CD2 4.42Å; F187-L200 HydrophobicContact CE1-CG 4.13Å; F187-L200 HydrophobicContact CE2-CD1 4.28Å; F187-L200 HydrophobicContact CE2-CD2 3.72Å; F187-L200 HydrophobicContact CE2-CG 3.69Å; F187-L200 HydrophobicContact CG-CD2 4.4Å; F187-L200 HydrophobicContact CZ-CD1 3.66Å; F187-L200 HydrophobicContact CZ-CD2 3.98Å; F187-L200 HydrophobicContact CZ-CG 3.53Å; L200-K202 HydrophobicContact CB-CG 4.16Å; L200-K202 WeakPolarHBondContact O-CG 3.35Å; L200-K202 PolarHBondContact O-N 3.3Å
201	D	98.3	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	68.8	171.3	-176.3	15.7	0	0	0	111.8	F119 I124 F125 A127 T203 S204 R205 I206 F207	F119-D201 HydrophobicContact CE1-CB 4.35Å; F119-D201 HydrophobicContact CZ-CB 4.09Å; F119-D201 WeakPolarHBondContact CZ-OD1 3.33Å; I124-D201 HydrophobicContact CG2-CB 4.02Å; F125-D201 PolarHBondContact O-N 3.09Å; A127-D201 WeakPolarHBondContact CB-O 3.41Å; D201-T203 PolarHBondContact O-N 3.25Å; D201-T203 VanDerWaalsContact O-N 3.1Å; D201-S204 PolarHBondContact O-N 3.28Å; D201-S204 PolarHBondContact OD1-N 2.92Å; D201-R205 VanDerWaalsContact CG-N 3.31Å; D201-R205 PolarHBondContact OD1-N 3.31Å; D201-R205 PolarHBondContact OD2-N 3.32Å; D201-I206 WeakPolarHBondContact OD2-CA 3.3Å; D201-I206 PolarHBondContact OD2-N 2.9Å; D201-F207 HydrophobicContact CB-CD2 4.16Å; D201-F207 PolarHBondContact OD2-N 3.39Å
202	K	97.2	Very high	97	Very high	56 Å²	56	31.9 Å²	31.9	24%	0.243	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.4	-173.2	-66.7	169.7	-171.4	176.8	0	114.9	V144 E148 K149 L200 F233	V144-K202 HydrophobicContact CB-CD 4.44Å; V144-K202 HydrophobicContact CG1-CD 3.79Å; V144-K202 HydrophobicContact CG1-CG 4.34Å; E148-K202 HydrophobicContact CB-CB 4.04Å; E148-K202 HydrophobicContact CG-CB 4.15Å; K149-K202 PolarHBondContact N-O 3.43Å; K149-K202 WeakPolarHBondContact O-CG 3.49Å; L200-K202 HydrophobicContact CB-CG 4.16Å; L200-K202 WeakPolarHBondContact O-CG 3.35Å; L200-K202 PolarHBondContact O-N 3.3Å; K202-F233 WeakPolarHBondContact O-CZ 3.31Å
203	T	96.9	Very high	97	Very high	25 Å²	25	31.7 Å²	31.7	15%	0.153	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	13.6	-175.1	57.8	0	0	0	0	112.7	E148 D201 R205 F233 T235	E148-T203 HydrophobicContact CG-CG2 4.09Å; D201-T203 PolarHBondContact O-N 3.25Å; D201-T203 VanDerWaalsContact O-N 3.1Å; T203-R205 PolarHBondContact O-N 3.02Å; T203-R205 PolarHBondContact OG1-NE 3.02Å; T203-F233 HydrophobicContact CG2-CD1 3.81Å; T203-F233 HydrophobicContact CG2-CE1 4.12Å; T203-F233 HydrophobicContact CG2-CG 4.16Å; T203-F233 WeakPolarHBondContact O-CD2 3.42Å; T203-T235 WeakPolarHBondContact O-CG2 3.33Å; T203-T235 PolarHBondContact O-OG1 2.76Å; T203-T235 VanDerWaalsContact O-OG1 3.05Å
204	S	97.5	Very high	96.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.172	C	C	.	.			trans	51.6	48.4	178.1	-58.6	0	0	0	0	113.6	D201 F207 T235 P237	D201-S204 PolarHBondContact O-N 3.28Å; D201-S204 PolarHBondContact OD1-N 2.92Å; S204-F207 VanDerWaalsContact CA-O 3.25Å; S204-F207 WeakPolarHBondContact CA-O 3.25Å; S204-F207 VanDerWaalsContact CB-O 3.23Å; S204-F207 WeakPolarHBondContact CB-O 3.42Å; S204-F207 PolarHBondContact OG-O 3.37Å; S204-T235 PolarHBondContact O-OG1 3.42Å; S204-P237 WeakPolarHBondContact O-CG 3.44Å
205	R	97.5	Very high	96.7	Very high	86 Å²	86	31.3 Å²	31.3	33%	0.325	17%	0.167	S	C	.	.	S	Bend	trans	-75.7	-40.5	176.3	-70.6	176	174.4	-78.5	-8.5	111.9	E115 F119 D201 T203 T235	E115-R205 HydrophobicContact CB-CB 4.5Å; E115-R205 IonicContact OE2-NH1 3.23Å; E115-R205 PolarHBondContact OE2-NH1 3.09Å; F119-R205 HydrophobicContact CE2-CB 4.37Å; F119-R205 HydrophobicContact CZ-CB 4.18Å; D201-R205 VanDerWaalsContact CG-N 3.31Å; D201-R205 PolarHBondContact OD1-N 3.31Å; D201-R205 PolarHBondContact OD2-N 3.32Å; T203-R205 PolarHBondContact O-N 3.02Å; T203-R205 PolarHBondContact OG1-NE 3.02Å; R205-T235 HydrophobicContact CG-CG2 3.93Å
206	I	98.4	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-103.1	-50.5	178.7	-62.1	176.4	0	0	0	109.3	L112 E115 F119 I158 D201 I238 I239	L112-I206 HydrophobicContact CD1-CB 4.48Å; L112-I206 HydrophobicContact CD1-CD1 4.11Å; L112-I206 HydrophobicContact CD1-CG1 4.19Å; L112-I206 HydrophobicContact CD1-CG2 3.52Å; E115-I206 HydrophobicContact CB-CG1 3.97Å; F119-I206 HydrophobicContact CD2-CD1 4.24Å; F119-I206 HydrophobicContact CE2-CD1 3.67Å; F119-I206 HydrophobicContact CE2-CG1 4.07Å; I158-I206 HydrophobicContact CG2-CD1 4.39Å; D201-I206 WeakPolarHBondContact OD2-CA 3.3Å; D201-I206 PolarHBondContact OD2-N 2.9Å; I206-I238 HydrophobicContact CG2-CB 4.46Å; I206-I238 HydrophobicContact CG2-CG1 4.48Å; I206-I238 PolarHBondContact O-N 3.33Å; I206-I239 HydrophobicContact CG2-CD1 4.31Å; I206-I239 PolarHBondContact O-N 3.23Å
207	F	98.5	Very high	96.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.4	-169.5	-54.1	-80.9	0	0	0	112.2	L96 V98 S126 I158 D201 S204 I239	L96-F207 HydrophobicContact CD1-CE1 3.72Å; L96-F207 HydrophobicContact CD1-CZ 3.68Å; V98-F207 HydrophobicContact CG1-CE1 4.24Å; S126-F207 VanDerWaalsContact CB-CG 3.48Å; I158-F207 HydrophobicContact CG2-CE2 4.35Å; I158-F207 HydrophobicContact CG2-CZ 4.3Å; D201-F207 HydrophobicContact CB-CD2 4.16Å; D201-F207 PolarHBondContact OD2-N 3.39Å; S204-F207 VanDerWaalsContact CA-O 3.25Å; S204-F207 WeakPolarHBondContact CA-O 3.25Å; S204-F207 VanDerWaalsContact CB-O 3.23Å; S204-F207 WeakPolarHBondContact CB-O 3.42Å; S204-F207 PolarHBondContact OG-O 3.37Å; F207-I239 HydrophobicContact CD1-CB 4.3Å; F207-I239 HydrophobicContact CD1-CD1 3.91Å; F207-I239 HydrophobicContact CE1-CD1 3.64Å
208	Q	98.3	Very high	96.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	95.7	170.6	-178.3	64.1	69	0	0	110.3	L210 V217 N230 P237 I239 H241	Q208-L210 HydrophobicContact CG-CD2 3.87Å; Q208-V217 HydrophobicContact CG-CG1 3.77Å; Q208-N230 PolarHBondContact OE1-ND2 2.89Å; Q208-P237 HydrophobicContact CB-CB 3.66Å; Q208-P237 HydrophobicContact CB-CG 3.61Å; Q208-P237 HydrophobicContact CG-CG 4.19Å; Q208-I239 PolarHBondContact N-O 2.68Å; Q208-H241 PolarHBondContact O-N 3.27Å
209	N	98.1	Very high	96.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129	165.3	-65.5	-49.7	0	0	0	108.5	S126 A127 E128 N153 H241	S126-N209 WeakPolarHBondContact CB-ND2 3.26Å; S126-N209 PolarHBondContact OG-ND2 2.85Å; S126-N209 VanDerWaalsContact OG-ND2 3.11Å; A127-N209 PolarHBondContact O-ND2 2.76Å; E128-N209 HydrophobicContact CB-CB 4.24Å; N153-N209 WeakPolarHBondContact CB-ND2 3.17Å; N209-H241 WeakPolarHBondContact OD1-CB 3.32Å; N209-H241 PolarHBondContact OD1-ND1 3.11Å
210	L	97.2	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.			trans	-93.6	-23.1	-171.9	-67.4	175.1	0	0	0	113.4	Q208 G212 A213 F214 V217 L228 H241 N243 I246 F250 L253	Q208-L210 HydrophobicContact CG-CD2 3.87Å; L210-G212 PolarHBondContact O-N 3.48Å; L210-A213 CarbonylContact O-C 3.46Å; L210-A213 PolarHBondContact O-N 3.08Å; L210-F214 PolarHBondContact O-N 3.11Å; L210-V217 HydrophobicContact CD2-CG1 4.4Å; L210-V217 HydrophobicContact CD2-CG2 3.98Å; L210-L228 HydrophobicContact CD2-CD1 4.12Å; L210-H241 PolarHBondContact N-O 2.97Å; L210-N243 PolarHBondContact N-OD1 2.86Å; L210-I246 HydrophobicContact CB-CG1 4.44Å; L210-I246 HydrophobicContact CB-CG2 3.92Å; L210-F250 HydrophobicContact CD1-CB 4.43Å; L210-F250 HydrophobicContact CD1-CD2 3.62Å; L210-F250 HydrophobicContact CD1-CE2 4.38Å; L210-F250 HydrophobicContact CD1-CG 4.47Å; L210-L253 HydrophobicContact CD1-CD1 4.09Å
211	N	95.3	Very high	96.5	Very high	39 Å²	39	34 Å²	34	21%	0.209	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	123.8	177	-167.1	18.2	0	0	0	111	A213 N243	N211-A213 PolarHBondContact O-N 2.82Å; N211-N243 WeakPolarHBondContact CB-ND2 3.4Å; N211-N243 WeakPolarHBondContact CB-O 3.26Å; N211-N243 WeakPolarHBondContact CB-OD1 3.21Å; N211-N243 PolarHBondContact N-OD1 3.01Å
212	G	93.8	Very high	96.3	Very high	37 Å²	37	36.8 Å²	36.8	38%	0.381	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	0.7	-175.6	0	0	0	0	0	115.1	L210	L210-G212 PolarHBondContact O-N 3.48Å
213	A	94.9	Very high	96.1	Very high	3 Å²	3	40 Å²	40	3%	0.025	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	10.2	-178.6	0	0	0	0	0	113.3	L210 N211 S215 D216	L210-A213 CarbonylContact O-C 3.46Å; L210-A213 PolarHBondContact O-N 3.08Å; N211-A213 PolarHBondContact O-N 2.82Å; A213-S215 PolarHBondContact O-N 3.45Å; A213-D216 HydrophobicContact CB-CB 4.36Å; A213-D216 VanDerWaalsContact O-CB 3.26Å; A213-D216 WeakPolarHBondContact O-CB 3.43Å; A213-D216 PolarHBondContact O-N 2.81Å
214	F	93.1	Very high	95.9	Very high	77 Å²	77	41.4 Å²	41.4	34%	0.338	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.9	-34.1	178	-169.4	-95.3	0	0	0	112.1	L210 D216 V217 I246 E249 L253	L210-F214 PolarHBondContact O-N 3.11Å; F214-D216 PolarHBondContact O-N 3.27Å; F214-V217 VanDerWaalsContact O-CG2 3.26Å; F214-V217 WeakPolarHBondContact O-CG2 3.24Å; F214-I246 HydrophobicContact CB-CD1 4.16Å; F214-I246 HydrophobicContact CB-CG1 4.47Å; F214-I246 HydrophobicContact CD2-CD1 4.04Å; F214-I246 HydrophobicContact CD2-CG1 3.89Å; F214-I246 HydrophobicContact CG-CD1 4.1Å; F214-I246 HydrophobicContact CG-CG1 4.39Å; F214-E249 HydrophobicContact CD2-CB 4.3Å; F214-E249 HydrophobicContact CE2-CB 3.62Å; F214-E249 HydrophobicContact CZ-CB 3.78Å; F214-E249 HydrophobicContact CZ-CG 4.4Å; F214-L253 HydrophobicContact CD2-CD1 4.22Å; F214-L253 HydrophobicContact CE2-CD1 3.41Å; F214-L253 VanDerWaalsContact CE2-CD1 3.41Å; F214-L253 HydrophobicContact CE2-CG 3.96Å; F214-L253 HydrophobicContact CZ-CD1 4.12Å; F214-L253 HydrophobicContact CZ-CG 4.25Å
215	S	93.8	Very high	95.8	Very high	83 Å²	83	41.5 Å²	41.5	58%	0.58	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-70.5	-15.6	173.8	53.8	0	0	0	0	114.2	A213 V217 K231	A213-S215 PolarHBondContact O-N 3.45Å; S215-V217 VanDerWaalsContact C-N 3.33Å; S215-K231 WeakPolarHBondContact O-CE 3.43Å; S215-K231 PolarHBondContact O-NZ 2.6Å
216	D	94.8	Very high	95.8	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-84.8	-12.6	-176.7	-59.5	-9.6	0	0	0	111.8	K149 A213 F214 N230 K231 I232	K149-D216 IonicContact NZ-OD2 3.19Å; K149-D216 PolarHBondContact NZ-OD2 3.39Å; A213-D216 HydrophobicContact CB-CB 4.36Å; A213-D216 VanDerWaalsContact O-CB 3.26Å; A213-D216 WeakPolarHBondContact O-CB 3.43Å; A213-D216 PolarHBondContact O-N 2.81Å; F214-D216 PolarHBondContact O-N 3.27Å; D216-N230 WeakPolarHBondContact O-CA 3.27Å; D216-K231 WeakPolarHBondContact O-CG 3.21Å; D216-K231 PolarHBondContact O-N 2.87Å; D216-I232 HydrophobicContact CB-CG1 3.81Å
217	V	96.5	Very high	95.7	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.3	-177.1	-61.7	0	0	0	0	112.4	Q208 L210 F214 S215 L228 F229	Q208-V217 HydrophobicContact CG-CG1 3.77Å; L210-V217 HydrophobicContact CD2-CG1 4.4Å; L210-V217 HydrophobicContact CD2-CG2 3.98Å; F214-V217 VanDerWaalsContact O-CG2 3.26Å; F214-V217 WeakPolarHBondContact O-CG2 3.24Å; S215-V217 VanDerWaalsContact C-N 3.33Å; V217-L228 HydrophobicContact CB-CB 4.46Å; V217-F229 CarbonylContact C-O 3.55Å; V217-F229 WeakPolarHBondContact CA-O 3.36Å
218	E	96.5	Very high	95.7	Very high	82 Å²	82	39.5 Å²	39.5	38%	0.383	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.1	168.4	-69.6	174.3	-175.2	0	0	109.1	H220 L228 F229 K231	E218-H220 PolarHBondContact O-N 3.02Å; E218-H220 IonicContact OE2-CD2 2.74Å; E218-H220 IonicContact OE2-CE1 2.7Å; E218-H220 IonicContact OE2-NE2 3.62Å; E218-H220 PolarHBondContact OE2-NE2 2.88Å; E218-L228 WeakPolarHBondContact O-CA 3.36Å; E218-F229 PolarHBondContact N-O 3.05Å; E218-F229 PolarHBondContact O-N 3.34Å; E218-K231 HydrophobicContact CG-CD 4.27Å; E218-K231 WeakPolarHBondContact OE1-CD 3.27Å
219	L	96.5	Very high	95.6	Very high	51 Å²	51	41.8 Å²	41.8	27%	0.267	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.1	170.3	178.9	65.9	0	0	0	108.7	F221 L228 Y256 L257	L219-F221 HydrophobicContact CD2-CE1 4.39Å; L219-F221 HydrophobicContact CD2-CE2 4.08Å; L219-F221 HydrophobicContact CD2-CZ 3.6Å; L219-F221 HydrophobicContact CG-CE1 4.49Å; L219-F221 HydrophobicContact CG-CE2 4.04Å; L219-F221 HydrophobicContact CG-CZ 3.88Å; L219-L228 HydrophobicContact CD1-CD2 4.41Å; L219-Y256 HydrophobicContact CD2-CD1 4.09Å; L219-Y256 HydrophobicContact CD2-CD2 3.67Å; L219-Y256 HydrophobicContact CD2-CE2 4.38Å; L219-Y256 HydrophobicContact CD2-CG 3.5Å; L219-L257 HydrophobicContact CD1-CD2 3.78Å
220	H	96.9	Very high	95.6	Very high	55 Å²	55	41.6 Å²	41.6	26%	0.255	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	163.9	173.5	-72.5	-165	0	0	0	109.3	E218 G226 Y227 F229	E218-H220 PolarHBondContact O-N 3.02Å; E218-H220 IonicContact OE2-CD2 2.74Å; E218-H220 IonicContact OE2-CE1 2.7Å; E218-H220 IonicContact OE2-NE2 3.62Å; E218-H220 PolarHBondContact OE2-NE2 2.88Å; H220-G226 CarbonylContact O-C 3.58Å; H220-G226 WeakPolarHBondContact O-CA 3.37Å; H220-Y227 HydrophobicContact CB-CD2 4.1Å; H220-Y227 HydrophobicContact CB-CE1 4Å; H220-Y227 HydrophobicContact CB-CE2 3.54Å; H220-Y227 VanDerWaalsContact CB-CZ 3.48Å; H220-Y227 PolarHBondContact N-O 3.27Å; H220-Y227 PolarHBondContact O-N 3.34Å; H220-F229 AromaticContact CE1-CD1 3.56Å; H220-F229 AromaticContact CE1-CG 3.66Å; H220-F229 AromaticContact ND1-CG 3.92Å
221	F	96.6	Very high	95.6	Very high	71 Å²	71	45.9 Å²	45.9	31%	0.311	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.3	179.3	-63.4	-85.7	0	0	0	110.8	L219 Y256 W261 P263	L219-F221 HydrophobicContact CD2-CE1 4.39Å; L219-F221 HydrophobicContact CD2-CE2 4.08Å; L219-F221 HydrophobicContact CD2-CZ 3.6Å; L219-F221 HydrophobicContact CG-CE1 4.49Å; L219-F221 HydrophobicContact CG-CE2 4.04Å; L219-F221 HydrophobicContact CG-CZ 3.88Å; F221-Y256 AromaticContact CE1-CD1 3.94Å; F221-Y256 HydrophobicContact CE1-CD1 3.94Å; F221-Y256 HydrophobicContact CE1-CG 4.42Å; F221-Y256 AromaticContact CZ-CD1 3.77Å; F221-Y256 HydrophobicContact CZ-CD1 3.77Å; F221-Y256 HydrophobicContact CZ-CE1 4.46Å; F221-Y256 HydrophobicContact CZ-CG 4.29Å; F221-W261 AromaticContact CE1-CE3 3.88Å; F221-W261 HydrophobicContact CE1-CE3 3.88Å; F221-W261 AromaticContact CE1-CZ3 3.97Å; F221-W261 HydrophobicContact CE1-CZ3 3.97Å; F221-W261 HydrophobicContact CZ-CE3 4.22Å; F221-W261 AromaticContact CZ-CZ3 3.98Å; F221-W261 HydrophobicContact CZ-CZ3 3.98Å; F221-P263 HydrophobicContact CB-CG 4.39Å; F221-P263 VanDerWaalsContact CD1-CD 3.48Å; F221-P263 HydrophobicContact CD1-CG 4.35Å; F221-P263 HydrophobicContact CD2-CG 4.23Å; F221-P263 HydrophobicContact CG-CG 4.07Å
222	N	93.7	Very high	95.5	Very high	60 Å²	60	48.2 Å²	48.2	32%	0.321	25%	0.254	S	S	.	.			trans	-106.1	-173.1	157.5	65.5	35.3	0	0	0	109	V224 T225 Y227	N222-V224 PolarHBondContact O-N 3.15Å; N222-V224 WeakPolarHBondContact OD1-CA 3.22Å; N222-V224 WeakPolarHBondContact OD1-CG2 3.32Å; N222-V224 PolarHBondContact OD1-N 3.43Å; N222-T225 PolarHBondContact N-O 2.91Å; N222-T225 PolarHBondContact OD1-N 3.21Å; N222-T225 PolarHBondContact OD1-O 2.73Å; N222-Y227 HydrophobicContact CB-CE1 4.17Å
223	D	92.8	Very high	95.6	Very high	122 Å²	122	48.3 Å²	48.3	65%	0.652	24%	0.244	S	C	*	.	S	Bend	trans	-63.7	-10.3	-178.3	-66	-18.6	0	0	0	114.7	T264 K265	D223-T264 PolarHBondContact O-OG1 3.37Å; D223-K265 WeakPolarHBondContact O-CG 3.28Å
224	V	93.7	Very high	95.6	Very high	55 Å²	55	52.4 Å²	52.4	33%	0.333	27%	0.272	S	S	.	.	S	Bend	trans	-131.1	-22.7	-172.8	-63.7	0	0	0	0	114.8	N222 Y259 Q268	N222-V224 PolarHBondContact O-N 3.15Å; N222-V224 WeakPolarHBondContact OD1-CA 3.22Å; N222-V224 WeakPolarHBondContact OD1-CG2 3.32Å; N222-V224 PolarHBondContact OD1-N 3.43Å; V224-Y259 HydrophobicContact CB-CD1 4.25Å; V224-Y259 HydrophobicContact CB-CE1 4.22Å; V224-Y259 HydrophobicContact CG2-CD1 4.26Å; V224-Y259 HydrophobicContact CG2-CE1 3.79Å; V224-Q268 PolarHBondContact O-NE2 2.85Å; V224-Q268 PolarHBondContact O-OE1 2.54Å
225	T	95.2	Very high	95.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	26%	0.259	C	S	.	.			trans	-157.5	155.5	-176.9	-173.8	0	0	0	0	112	N222 A258 Y259	N222-T225 PolarHBondContact N-O 2.91Å; N222-T225 PolarHBondContact OD1-N 3.21Å; N222-T225 PolarHBondContact OD1-O 2.73Å; T225-A258 PolarHBondContact OG1-N 2.82Å; T225-Y259 HydrophobicContact CG2-CD1 4.4Å; T225-Y259 HydrophobicContact CG2-CE1 4.27Å; T225-Y259 PolarHBondContact OG1-N 3.18Å
226	G	96.5	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	152.3	159.5	0	0	0	0	0	112	H220 Y256	H220-G226 CarbonylContact O-C 3.58Å; H220-G226 WeakPolarHBondContact O-CA 3.37Å; G226-Y256 WeakPolarHBondContact CA-O 3.4Å; G226-Y256 PolarHBondContact N-O 3.09Å
227	Y	96.9	Very high	96.1	Very high	49 Å²	49	46.4 Å²	46.4	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.7	172.3	61.8	-89.5	0	0	0	110.1	H220 N222 T236	H220-Y227 HydrophobicContact CB-CD2 4.1Å; H220-Y227 HydrophobicContact CB-CE1 4Å; H220-Y227 HydrophobicContact CB-CE2 3.54Å; H220-Y227 VanDerWaalsContact CB-CZ 3.48Å; H220-Y227 PolarHBondContact N-O 3.27Å; H220-Y227 PolarHBondContact O-N 3.34Å; N222-Y227 HydrophobicContact CB-CE1 4.17Å; Y227-T236 HydrophobicContact CD2-CG2 3.54Å; Y227-T236 HydrophobicContact CE2-CG2 4.04Å; Y227-T236 HydrophobicContact CG-CG2 4.26Å
228	L	97.6	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134	174.9	-59.3	-178.6	0	0	0	110.6	M106 L210 V217 E218 L219 P237 A240 L253 L257	M106-L228 HydrophobicContact CE-CB 4.04Å; M106-L228 HydrophobicContact CE-CD1 4.3Å; M106-L228 HydrophobicContact CE-CG 4.24Å; M106-L228 HydrophobicContact SD-CB 3.85Å; M106-L228 HydrophobicContact SD-CD1 4.03Å; M106-L228 HydrophobicContact SD-CG 3.6Å; M106-L228 VanDerWaalsContact SD-CG 3.6Å; L210-L228 HydrophobicContact CD2-CD1 4.12Å; V217-L228 HydrophobicContact CB-CB 4.46Å; E218-L228 WeakPolarHBondContact O-CA 3.36Å; L219-L228 HydrophobicContact CD1-CD2 4.41Å; L228-P237 VanDerWaalsContact O-CD 3.22Å; L228-P237 WeakPolarHBondContact O-CD 3.33Å; L228-A240 HydrophobicContact CD1-CB 3.85Å; L228-L253 HydrophobicContact CD1-CD1 4.43Å; L228-L253 HydrophobicContact CD2-CD1 4.21Å; L228-L253 HydrophobicContact CD2-CD2 4.25Å; L228-L257 HydrophobicContact CD1-CD1 4.39Å; L228-L257 HydrophobicContact CD2-CD2 4.21Å; L228-L257 HydrophobicContact CG-CD1 4.24Å; L228-L257 HydrophobicContact CG-CD2 4.17Å
229	F	97.8	Very high	96.3	Very high	48 Å²	48	41.8 Å²	41.8	21%	0.211	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.2	168.9	178.2	-106.2	0	0	0	109.1	V217 E218 H220 K231 T235	V217-F229 CarbonylContact C-O 3.55Å; V217-F229 WeakPolarHBondContact CA-O 3.36Å; E218-F229 PolarHBondContact N-O 3.05Å; E218-F229 PolarHBondContact O-N 3.34Å; H220-F229 AromaticContact CE1-CD1 3.56Å; H220-F229 AromaticContact CE1-CG 3.66Å; H220-F229 AromaticContact ND1-CG 3.92Å; F229-K231 HydrophobicContact CD1-CB 4.31Å; F229-K231 HydrophobicContact CE1-CB 4.14Å; F229-K231 PolarHBondContact O-N 2.84Å; F229-T235 WeakPolarHBondContact CD2-O 3.23Å
230	N	97.2	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.7	173.5	-176.7	-51.1	0	0	0	108.9	Q208 D216 I232 F233 S234 T235	Q208-N230 PolarHBondContact OE1-ND2 2.89Å; D216-N230 WeakPolarHBondContact O-CA 3.27Å; N230-I232 VanDerWaalsContact C-N 3.32Å; N230-I232 PolarHBondContact O-N 3.07Å; N230-I232 WeakPolarHBondContact OD1-CB 3.32Å; N230-I232 PolarHBondContact OD1-N 3.26Å; N230-F233 WeakPolarHBondContact OD1-CD2 3.36Å; N230-F233 PolarHBondContact OD1-N 3.5Å; N230-F233 VanDerWaalsContact OD1-N 3.09Å; N230-S234 VanDerWaalsContact O-CA 3.25Å; N230-S234 WeakPolarHBondContact O-CA 3.33Å; N230-S234 PolarHBondContact O-N 3.17Å; N230-T235 WeakPolarHBondContact CB-OG1 3.32Å; N230-T235 PolarHBondContact N-O 2.98Å; N230-T235 PolarHBondContact O-N 2.92Å
231	K	96.4	Very high	96.4	Very high	90 Å²	90	37.2 Å²	37.2	39%	0.391	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-20	-174.4	72.8	-162.7	168.8	-166.2	0	113.7	S215 D216 E218 F229	S215-K231 WeakPolarHBondContact O-CE 3.43Å; S215-K231 PolarHBondContact O-NZ 2.6Å; D216-K231 WeakPolarHBondContact O-CG 3.21Å; D216-K231 PolarHBondContact O-N 2.87Å; E218-K231 HydrophobicContact CG-CD 4.27Å; E218-K231 WeakPolarHBondContact OE1-CD 3.27Å; F229-K231 HydrophobicContact CD1-CB 4.31Å; F229-K231 HydrophobicContact CE1-CB 4.14Å; F229-K231 PolarHBondContact O-N 2.84Å
232	I	95.1	Very high	96.5	Very high	88 Å²	88	33.9 Å²	33.9	45%	0.451	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-41.7	178.5	-56.2	-58	0	0	0	110.2	D216 N230	D216-I232 HydrophobicContact CB-CG1 3.81Å; N230-I232 VanDerWaalsContact C-N 3.32Å; N230-I232 PolarHBondContact O-N 3.07Å; N230-I232 WeakPolarHBondContact OD1-CB 3.32Å; N230-I232 PolarHBondContact OD1-N 3.26Å
233	F	95	Very high	96.5	Very high	40 Å²	40	31.5 Å²	31.5	18%	0.175	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-3.5	-177.1	-52.4	-62.5	0	0	0	114.4	G147 E148 K149 K202 T203 N230 T235	G147-F233 WeakPolarHBondContact O-CZ 3.47Å; E148-F233 HydrophobicContact CG-CE1 4.26Å; K149-F233 HydrophobicContact CG-CE2 4.39Å; K202-F233 WeakPolarHBondContact O-CZ 3.31Å; T203-F233 HydrophobicContact CG2-CD1 3.81Å; T203-F233 HydrophobicContact CG2-CE1 4.12Å; T203-F233 HydrophobicContact CG2-CG 4.16Å; T203-F233 WeakPolarHBondContact O-CD2 3.42Å; N230-F233 WeakPolarHBondContact OD1-CD2 3.36Å; N230-F233 PolarHBondContact OD1-N 3.5Å; N230-F233 VanDerWaalsContact OD1-N 3.09Å; F233-T235 VanDerWaalsContact C-N 3.27Å; F233-T235 HydrophobicContact CB-CG2 3.95Å; F233-T235 PolarHBondContact O-N 3.38Å
234	S	95.8	Very high	96.4	Very high	89 Å²	89	27.7 Å²	27.7	62%	0.622	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	45.2	-172.3	-58.5	0	0	0	0	112.3	N230	N230-S234 VanDerWaalsContact O-CA 3.25Å; N230-S234 WeakPolarHBondContact O-CA 3.33Å; N230-S234 PolarHBondContact O-N 3.17Å
235	T	96.7	Very high	96.3	Very high	10 Å²	10	30.2 Å²	30.2	6%	0.061	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-112.3	152.9	179.7	53.2	0	0	0	0	111.2	T203 S204 R205 F229 N230 F233 P237	T203-T235 WeakPolarHBondContact O-CG2 3.33Å; T203-T235 PolarHBondContact O-OG1 2.76Å; T203-T235 VanDerWaalsContact O-OG1 3.05Å; S204-T235 PolarHBondContact O-OG1 3.42Å; R205-T235 HydrophobicContact CG-CG2 3.93Å; F229-T235 WeakPolarHBondContact CD2-O 3.23Å; N230-T235 WeakPolarHBondContact CB-OG1 3.32Å; N230-T235 PolarHBondContact N-O 2.98Å; N230-T235 PolarHBondContact O-N 2.92Å; F233-T235 VanDerWaalsContact C-N 3.27Å; F233-T235 HydrophobicContact CB-CG2 3.95Å; F233-T235 PolarHBondContact O-N 3.38Å; T235-P237 WeakPolarHBondContact O-CD 3.43Å
236	T	96.9	Very high	96.1	Very high	45 Å²	45	31 Å²	31	28%	0.276	18%	0.177	S	C	.	.			trans	-113.7	93.9	170.7	-56.6	0	0	0	0	107.2	Y227	Y227-T236 HydrophobicContact CD2-CG2 3.54Å; Y227-T236 HydrophobicContact CE2-CG2 4.04Å; Y227-T236 HydrophobicContact CG-CG2 4.26Å
237	P	97.9	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.			trans	-59	154.1	-175.8	-18.9	29.9	0	0	0	111.9	M106 S204 Q208 L228 T235	M106-P237 HydrophobicContact CE-CB 4Å; M106-P237 WeakPolarHBondContact CE-O 3.13Å; S204-P237 WeakPolarHBondContact O-CG 3.44Å; Q208-P237 HydrophobicContact CB-CB 3.66Å; Q208-P237 HydrophobicContact CB-CG 3.61Å; Q208-P237 HydrophobicContact CG-CG 4.19Å; L228-P237 VanDerWaalsContact O-CD 3.22Å; L228-P237 WeakPolarHBondContact O-CD 3.33Å; T235-P237 WeakPolarHBondContact O-CD 3.43Å
238	I	98.1	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-82.1	-38.5	175.8	-51.4	-57.6	0	0	0	110.4	F51 M106 Q107 K111 L112 E115 I206	F51-I238 HydrophobicContact CZ-CG2 4.45Å; M106-I238 PolarHBondContact N-O 3.34Å; Q107-I238 HydrophobicContact CB-CB 4.43Å; Q107-I238 HydrophobicContact CB-CD1 3.63Å; Q107-I238 HydrophobicContact CB-CG2 4.1Å; Q107-I238 HydrophobicContact CG-CD1 3.98Å; K111-I238 HydrophobicContact CB-CD1 4.03Å; K111-I238 HydrophobicContact CG-CD1 3.51Å; L112-I238 HydrophobicContact CB-CG2 4.12Å; L112-I238 HydrophobicContact CD1-CG1 4.36Å; L112-I238 HydrophobicContact CD1-CG2 4.32Å; E115-I238 HydrophobicContact CG-CD1 4.43Å; I206-I238 HydrophobicContact CG2-CB 4.46Å; I206-I238 HydrophobicContact CG2-CG1 4.48Å; I206-I238 PolarHBondContact O-N 3.33Å
239	I	98.4	Very high	95.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.9	-169	-58.8	165	0	0	0	108.6	L96 V98 V103 F105 I206 F207 Q208	L96-I239 HydrophobicContact CD1-CD1 4.12Å; L96-I239 HydrophobicContact CD2-CD1 3.78Å; V98-I239 HydrophobicContact CG1-CD1 4.14Å; V103-I239 HydrophobicContact CG1-CG2 3.48Å; V103-I239 VanDerWaalsContact CG1-CG2 3.48Å; F105-I239 HydrophobicContact CD1-CD1 4.32Å; F105-I239 HydrophobicContact CD1-CG1 3.81Å; F105-I239 HydrophobicContact CE1-CD1 3.69Å; F105-I239 HydrophobicContact CE1-CG1 3.7Å; F105-I239 HydrophobicContact CG-CG1 4.3Å; F105-I239 HydrophobicContact CZ-CD1 3.87Å; F105-I239 HydrophobicContact CZ-CG1 4.07Å; I206-I239 HydrophobicContact CG2-CD1 4.31Å; I206-I239 PolarHBondContact O-N 3.23Å; F207-I239 HydrophobicContact CD1-CB 4.3Å; F207-I239 HydrophobicContact CD1-CD1 3.91Å; F207-I239 HydrophobicContact CE1-CD1 3.64Å; Q208-I239 PolarHBondContact N-O 2.68Å
240	A	98.4	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.2	169.2	0	0	0	0	0	109.4	V103 V104 M106 L228 F250 L257	V103-A240 WeakPolarHBondContact CA-O 3.5Å; V104-A240 PolarHBondContact N-O 2.72Å; V104-A240 PolarHBondContact O-N 2.98Å; M106-A240 HydrophobicContact CE-CB 3.84Å; M106-A240 HydrophobicContact SD-CB 4.02Å; L228-A240 HydrophobicContact CD1-CB 3.85Å; A240-F250 HydrophobicContact CB-CE2 4.09Å; A240-L257 HydrophobicContact CB-CD1 4.47Å
241	H	98.3	Very high	95.4	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.046	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.4	179.3	-179.8	-156.9	0	0	0	109.4	D99 D102 V103 N153 Q208 N209 L210 N243	D99-H241 IonicContact OD2-NE2 3.01Å; D102-H241 CarbonylContact O-C 3.59Å; D102-H241 WeakPolarHBondContact O-CA 3.43Å; D102-H241 IonicContact OD1-NE2 3.27Å; D102-H241 IonicContact OD2-CD2 2.95Å; D102-H241 PolarHBondContact OD2-CD2 3.2Å; D102-H241 IonicContact OD2-NE2 2.94Å; D102-H241 PolarHBondContact OD2-NE2 2.89Å; V103-H241 HydrophobicContact CG2-CB 4.27Å; N153-H241 PolarHBondContact OD1-CE1 2.82Å; Q208-H241 PolarHBondContact O-N 3.27Å; N209-H241 WeakPolarHBondContact OD1-CB 3.32Å; N209-H241 PolarHBondContact OD1-ND1 3.11Å; L210-H241 PolarHBondContact N-O 2.97Å; H241-N243 PolarHBondContact O-N 3.4Å; H241-N243 PolarHBondContact O-OD1 3.33Å
242	G	97.1	Very high	95.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.193	C	C	.	.			trans	-77.2	53	175.9	0	0	0	0	0	112.6	D102 K247	D102-G242 PolarHBondContact O-N 3.24Å; D102-G242 VanDerWaalsContact OD2-C 3.27Å; D102-G242 VanDerWaalsContact OD2-O 3.07Å; G242-K247 VanDerWaalsContact O-CD 3.28Å; G242-K247 WeakPolarHBondContact O-CD 3Å; G242-K247 WeakPolarHBondContact O-CE 3.33Å; G242-K247 PolarHBondContact O-NZ 3.27Å
243	N	94.8	Very high	95.3	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.053	18%	0.178	C	C	.	.			trans	-65.1	151.2	-175.6	65.4	-48.3	0	0	0	112.4	D102 L210 N211 H241 I246	D102-N243 PolarHBondContact OD2-N 3.07Å; L210-N243 PolarHBondContact N-OD1 2.86Å; N211-N243 WeakPolarHBondContact CB-ND2 3.4Å; N211-N243 WeakPolarHBondContact CB-O 3.26Å; N211-N243 WeakPolarHBondContact CB-OD1 3.21Å; N211-N243 PolarHBondContact N-OD1 3.01Å; H241-N243 PolarHBondContact O-N 3.4Å; H241-N243 PolarHBondContact O-OD1 3.33Å; N243-I246 WeakPolarHBondContact O-CG2 3.4Å
244	G	91.2	Very high	95.4	Very high	42 Å²	42	28.1 Å²	28.1	43%	0.433	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	64.1	-143.4	175.3	0	0	0	0	0	114.6	I246 K247	G244-I246 PolarHBondContact O-N 2.86Å; G244-I246 VanDerWaalsContact O-N 3.11Å; G244-K247 VanDerWaalsContact O-CE 3.27Å; G244-K247 WeakPolarHBondContact O-CE 3.49Å
245	P	90	Very high	95.5	Very high	108 Å²	108	24.2 Å²	24.2	70%	0.701	14%	0.144	S	C	*	.	G	3₁₀ helix	trans	-83.3	26.1	-168.8	36.5	-37.9	0	0	0	114.4
246	I	92.2	Very high	95.5	Very high	20 Å²	20	24.7 Å²	24.7	10%	0.103	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-109.5	14.8	-175.4	-155.7	66.8	0	0	0	112.9	L210 F214 N243 G244 V248 E249 F250	L210-I246 HydrophobicContact CB-CG1 4.44Å; L210-I246 HydrophobicContact CB-CG2 3.92Å; F214-I246 HydrophobicContact CB-CD1 4.16Å; F214-I246 HydrophobicContact CB-CG1 4.47Å; F214-I246 HydrophobicContact CD2-CD1 4.04Å; F214-I246 HydrophobicContact CD2-CG1 3.89Å; F214-I246 HydrophobicContact CG-CD1 4.1Å; F214-I246 HydrophobicContact CG-CG1 4.39Å; N243-I246 WeakPolarHBondContact O-CG2 3.4Å; G244-I246 PolarHBondContact O-N 2.86Å; G244-I246 VanDerWaalsContact O-N 3.11Å; I246-V248 VanDerWaalsContact C-N 3.27Å; I246-V248 PolarHBondContact O-N 3.24Å; I246-E249 WeakPolarHBondContact CA-OE2 3.35Å; I246-E249 HydrophobicContact CD1-CB 3.91Å; I246-E249 HydrophobicContact CD1-CG 3.88Å; I246-E249 HydrophobicContact CG1-CB 4.03Å; I246-E249 PolarHBondContact O-N 3.25Å; I246-F250 VanDerWaalsContact O-CB 3.24Å; I246-F250 WeakPolarHBondContact O-CB 3.25Å; I246-F250 PolarHBondContact O-N 3.42Å
247	K	92.8	Very high	95.5	Very high	83 Å²	83	22.6 Å²	22.6	36%	0.361	13%	0.132	S	C	.	.	H	α-helix	trans	-60	-36.3	-172.5	-55.7	-63.7	176.1	-170	0	112.6	D102 G242 G244 N251	D102-K247 HydrophobicContact CB-CD 3.91Å; D102-K247 IonicContact OD1-NZ 3.94Å; D102-K247 IonicContact OD2-NZ 3.01Å; D102-K247 PolarHBondContact OD2-NZ 3.38Å; G242-K247 VanDerWaalsContact O-CD 3.28Å; G242-K247 WeakPolarHBondContact O-CD 3Å; G242-K247 WeakPolarHBondContact O-CE 3.33Å; G242-K247 PolarHBondContact O-NZ 3.27Å; G244-K247 VanDerWaalsContact O-CE 3.27Å; G244-K247 WeakPolarHBondContact O-CE 3.49Å; K247-N251 WeakPolarHBondContact O-CB 3.34Å; K247-N251 PolarHBondContact O-N 2.78Å; K247-N251 PolarHBondContact O-ND2 3.49Å; K247-N251 PolarHBondContact O-OD1 3.1Å
248	V	93.2	Very high	95.4	Very high	29 Å²	29	22.8 Å²	22.8	18%	0.176	13%	0.134	C	C	.	.	H	α-helix	trans	-69	-50.7	-177.7	175.5	0	0	0	0	109.8	I246 F250 N251 S252 L420 P447	I246-V248 VanDerWaalsContact C-N 3.27Å; I246-V248 PolarHBondContact O-N 3.24Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 3.47Å; V248-N251 WeakPolarHBondContact O-CB 3.35Å; V248-N251 PolarHBondContact O-N 3.15Å; V248-N251 VanDerWaalsContact O-N 3.15Å; V248-S252 PolarHBondContact O-N 2.99Å; V248-S252 PolarHBondContact O-OG 3.28Å; V248-L420 HydrophobicContact CG1-CG 4.44Å; V248-L420 HydrophobicContact CG2-CD1 4.22Å; V248-P447 HydrophobicContact CG1-CB 3.87Å; V248-P447 HydrophobicContact CG1-CG 4.15Å
249	E	93.7	Very high	95.3	Very high	70 Å²	70	25.7 Å²	25.7	33%	0.327	15%	0.145	S	C	.	.	H	α-helix	trans	-64.4	-37.2	177.8	-59.2	86.5	160.6	0	0	111.1	F214 I246 S252 L253	F214-E249 HydrophobicContact CD2-CB 4.3Å; F214-E249 HydrophobicContact CE2-CB 3.62Å; F214-E249 HydrophobicContact CZ-CB 3.78Å; F214-E249 HydrophobicContact CZ-CG 4.4Å; I246-E249 WeakPolarHBondContact CA-OE2 3.35Å; I246-E249 HydrophobicContact CD1-CB 3.91Å; I246-E249 HydrophobicContact CD1-CG 3.88Å; I246-E249 HydrophobicContact CG1-CB 4.03Å; I246-E249 PolarHBondContact O-N 3.25Å; E249-S252 PolarHBondContact O-N 2.89Å; E249-L253 WeakPolarHBondContact O-CG 3.41Å; E249-L253 PolarHBondContact O-N 3.32Å
250	F	96.1	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-42.8	172.3	177.7	-111.6	0	0	0	112.4	R41 D102 V104 L210 A240 I246 V248 S252 L253 S254	R41-F250 VanDerWaalsContact NH2-CE1 3.3Å; D102-F250 VanDerWaalsContact C-CZ 3.48Å; D102-F250 HydrophobicContact CB-CD1 4.4Å; D102-F250 HydrophobicContact CB-CE1 4.28Å; D102-F250 VanDerWaalsContact O-CE1 3.32Å; D102-F250 WeakPolarHBondContact O-CE1 3.44Å; D102-F250 VanDerWaalsContact O-CZ 3.22Å; D102-F250 WeakPolarHBondContact O-CZ 3.43Å; V104-F250 HydrophobicContact CB-CE2 4.39Å; V104-F250 HydrophobicContact CB-CZ 4Å; V104-F250 HydrophobicContact CG2-CE1 4.32Å; V104-F250 HydrophobicContact CG2-CE2 4.36Å; V104-F250 HydrophobicContact CG2-CZ 3.63Å; L210-F250 HydrophobicContact CD1-CB 4.43Å; L210-F250 HydrophobicContact CD1-CD2 3.62Å; L210-F250 HydrophobicContact CD1-CE2 4.38Å; L210-F250 HydrophobicContact CD1-CG 4.47Å; A240-F250 HydrophobicContact CB-CE2 4.09Å; I246-F250 VanDerWaalsContact O-CB 3.24Å; I246-F250 WeakPolarHBondContact O-CB 3.25Å; I246-F250 PolarHBondContact O-N 3.42Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 3.47Å; F250-S252 VanDerWaalsContact C-N 3.35Å; F250-L253 PolarHBondContact O-N 2.72Å; F250-S254 WeakPolarHBondContact O-CB 3.43Å; F250-S254 PolarHBondContact O-N 3.22Å
251	N	95.7	Very high	95.1	Very high	18 Å²	18	26.8 Å²	26.8	10%	0.096	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-43.9	175	-70.3	-10.2	0	0	0	111	R41 K247 V248 S254 N255	R41-N251 PolarHBondContact NH1-OD1 2.94Å; R41-N251 PolarHBondContact NH2-OD1 3.01Å; K247-N251 WeakPolarHBondContact O-CB 3.34Å; K247-N251 PolarHBondContact O-N 2.78Å; K247-N251 PolarHBondContact O-ND2 3.49Å; K247-N251 PolarHBondContact O-OD1 3.1Å; V248-N251 WeakPolarHBondContact O-CB 3.35Å; V248-N251 PolarHBondContact O-N 3.15Å; V248-N251 VanDerWaalsContact O-N 3.15Å; N251-S254 PolarHBondContact O-N 2.82Å; N251-S254 PolarHBondContact O-OG 3.29Å; N251-N255 PolarHBondContact O-N 2.97Å
252	S	94.4	Very high	95	Very high	24 Å²	24	26.3 Å²	26.3	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-44.8	174.8	-59.2	0	0	0	0	112.2	V248 E249 F250 S254 N255	V248-S252 PolarHBondContact O-N 2.99Å; V248-S252 PolarHBondContact O-OG 3.28Å; E249-S252 PolarHBondContact O-N 2.89Å; F250-S252 VanDerWaalsContact C-N 3.35Å; S252-S254 VanDerWaalsContact C-N 3.28Å; S252-S254 PolarHBondContact O-N 3.38Å; S252-N255 WeakPolarHBondContact O-CB 3.23Å; S252-N255 PolarHBondContact O-N 3.21Å; S252-N255 PolarHBondContact O-ND2 2.9Å
253	L	95.4	Very high	94.9	Very high	23 Å²	23	30 Å²	30	12%	0.12	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-40.7	174.3	-76.1	179.4	0	0	0	111.7	L210 F214 L228 E249 F250 N255 Y256 L257	L210-L253 HydrophobicContact CD1-CD1 4.09Å; F214-L253 HydrophobicContact CD2-CD1 4.22Å; F214-L253 HydrophobicContact CE2-CD1 3.41Å; F214-L253 VanDerWaalsContact CE2-CD1 3.41Å; F214-L253 HydrophobicContact CE2-CG 3.96Å; F214-L253 HydrophobicContact CZ-CD1 4.12Å; F214-L253 HydrophobicContact CZ-CG 4.25Å; L228-L253 HydrophobicContact CD1-CD1 4.43Å; L228-L253 HydrophobicContact CD2-CD1 4.21Å; L228-L253 HydrophobicContact CD2-CD2 4.25Å; E249-L253 WeakPolarHBondContact O-CG 3.41Å; E249-L253 PolarHBondContact O-N 3.32Å; F250-L253 PolarHBondContact O-N 2.72Å; L253-N255 PolarHBondContact O-N 2.76Å; L253-N255 VanDerWaalsContact O-N 3.07Å; L253-Y256 PolarHBondContact O-N 2.66Å; L253-L257 HydrophobicContact CB-CD1 4.35Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 2.86Å
254	S	96.7	Very high	95	Very high	8 Å²	8	33.4 Å²	33.4	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-13.4	-177.5	74.8	0	0	0	0	114.5	R41 F250 N251 S252 Y256	R41-S254 PolarHBondContact NH1-OG 2.91Å; F250-S254 WeakPolarHBondContact O-CB 3.43Å; F250-S254 PolarHBondContact O-N 3.22Å; N251-S254 PolarHBondContact O-N 2.82Å; N251-S254 PolarHBondContact O-OG 3.29Å; S252-S254 VanDerWaalsContact C-N 3.28Å; S252-S254 PolarHBondContact O-N 3.38Å; S254-Y256 PolarHBondContact O-N 3.26Å
255	N	97.2	Very high	95.2	Very high	6 Å²	6	37 Å²	37	3%	0.032	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.2	170	-67	-34.6	0	0	0	113	N251 S252 L253 S260 W261 W444 N445	N251-N255 PolarHBondContact O-N 2.97Å; S252-N255 WeakPolarHBondContact O-CB 3.23Å; S252-N255 PolarHBondContact O-N 3.21Å; S252-N255 PolarHBondContact O-ND2 2.9Å; L253-N255 PolarHBondContact O-N 2.76Å; L253-N255 VanDerWaalsContact O-N 3.07Å; N255-S260 WeakPolarHBondContact O-CB 3.45Å; N255-W261 WeakPolarHBondContact O-CB 3.19Å; N255-W261 PolarHBondContact O-N 2.98Å; N255-W444 HydrophobicContact CB-CE3 3.97Å; N255-W444 HydrophobicContact CB-CZ3 4.35Å; N255-N445 PolarHBondContact ND2-N 2.84Å; N255-N445 PolarHBondContact ND2-O 2.99Å; N255-N445 VanDerWaalsContact OD1-CB 3.22Å; N255-N445 WeakPolarHBondContact OD1-CB 3.5Å; N255-N445 PolarHBondContact OD1-N 3.43Å
256	Y	97.5	Very high	95.4	Very high	21 Å²	21	35.9 Å²	35.9	8%	0.082	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-22.2	-175.6	-57.5	-81	0	0	0	113.2	L219 F221 G226 L253 S254 W261 D431 W444	L219-Y256 HydrophobicContact CD2-CD1 4.09Å; L219-Y256 HydrophobicContact CD2-CD2 3.67Å; L219-Y256 HydrophobicContact CD2-CE2 4.38Å; L219-Y256 HydrophobicContact CD2-CG 3.5Å; F221-Y256 AromaticContact CE1-CD1 3.94Å; F221-Y256 HydrophobicContact CE1-CD1 3.94Å; F221-Y256 HydrophobicContact CE1-CG 4.42Å; F221-Y256 AromaticContact CZ-CD1 3.77Å; F221-Y256 HydrophobicContact CZ-CD1 3.77Å; F221-Y256 HydrophobicContact CZ-CE1 4.46Å; F221-Y256 HydrophobicContact CZ-CG 4.29Å; G226-Y256 WeakPolarHBondContact CA-O 3.4Å; G226-Y256 PolarHBondContact N-O 3.09Å; L253-Y256 PolarHBondContact O-N 2.66Å; S254-Y256 PolarHBondContact O-N 3.26Å; Y256-W261 HydrophobicContact CD1-CB 4.34Å; Y256-W261 HydrophobicContact CD1-CD2 4.23Å; Y256-W261 AromaticContact CD1-CE3 3.6Å; Y256-W261 HydrophobicContact CD1-CE3 3.6Å; Y256-W261 HydrophobicContact CD1-CZ3 4.23Å; Y256-W261 HydrophobicContact CE1-CD2 4.27Å; Y256-W261 AromaticContact CE1-CE3 3.82Å; Y256-W261 HydrophobicContact CE1-CE3 3.82Å; Y256-W261 HydrophobicContact CE1-CZ3 4.19Å; Y256-D431 WeakPolarHBondContact OH-CB 3.38Å; Y256-D431 PolarHBondContact OH-OD2 2.9Å; Y256-W444 HydrophobicContact CE1-CH2 4.25Å; Y256-W444 AromaticContact CE1-CZ3 3.7Å; Y256-W444 HydrophobicContact CE1-CZ3 3.7Å; Y256-W444 HydrophobicContact CE2-CZ3 4.48Å; Y256-W444 AromaticContact CZ-CZ3 3.68Å
257	L	97.1	Very high	95.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-83	167.4	-177.9	-57.4	179.6	0	0	0	111.6	V104 M106 L219 L228 A240 L253 Y259 S260	V104-L257 HydrophobicContact CG1-CB 4.01Å; V104-L257 HydrophobicContact CG1-CD1 4.5Å; M106-L257 HydrophobicContact CG-CD1 4.34Å; M106-L257 HydrophobicContact CG-CD2 4.34Å; M106-L257 HydrophobicContact SD-CD1 3.92Å; M106-L257 HydrophobicContact SD-CD2 3.84Å; M106-L257 HydrophobicContact SD-CG 4.42Å; L219-L257 HydrophobicContact CD1-CD2 3.78Å; L228-L257 HydrophobicContact CD1-CD1 4.39Å; L228-L257 HydrophobicContact CD2-CD2 4.21Å; L228-L257 HydrophobicContact CG-CD1 4.24Å; L228-L257 HydrophobicContact CG-CD2 4.17Å; A240-L257 HydrophobicContact CB-CD1 4.47Å; L253-L257 HydrophobicContact CB-CD1 4.35Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 2.86Å; L257-Y259 PolarHBondContact O-N 3.35Å; L257-S260 VanDerWaalsContact O-CB 3.27Å; L257-S260 WeakPolarHBondContact O-CB 3.15Å; L257-S260 PolarHBondContact O-N 2.58Å; L257-S260 VanDerWaalsContact O-N 3.08Å; L257-S260 PolarHBondContact O-OG 3.27Å
258	A	95.1	Very high	95.8	Very high	4 Å²	4	34 Å²	34	3%	0.033	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	48.6	172.4	0	0	0	0	0	114.3	R44 L48 V104 T225 S260	R44-A258 PolarHBondContact NH1-O 2.98Å; L48-A258 WeakPolarHBondContact CD1-O 3.41Å; V104-A258 HydrophobicContact CG1-CB 3.78Å; T225-A258 PolarHBondContact OG1-N 2.82Å; A258-S260 PolarHBondContact O-N 3.26Å
259	Y	95.9	Very high	95.8	Very high	61 Å²	61	33.9 Å²	33.9	24%	0.239	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	36.6	179.7	-45.8	-95	0	0	0	112.7	R44 L48 V224 T225 L257 Q268	R44-Y259 PolarHBondContact NH2-O 3.45Å; L48-Y259 HydrophobicContact CB-CD2 3.77Å; L48-Y259 HydrophobicContact CB-CE2 3.99Å; L48-Y259 HydrophobicContact CD1-CD2 4Å; L48-Y259 HydrophobicContact CG-CD2 4.42Å; V224-Y259 HydrophobicContact CB-CD1 4.25Å; V224-Y259 HydrophobicContact CB-CE1 4.22Å; V224-Y259 HydrophobicContact CG2-CD1 4.26Å; V224-Y259 HydrophobicContact CG2-CE1 3.79Å; T225-Y259 HydrophobicContact CG2-CD1 4.4Å; T225-Y259 HydrophobicContact CG2-CE1 4.27Å; T225-Y259 PolarHBondContact OG1-N 3.18Å; L257-Y259 PolarHBondContact O-N 3.35Å; Y259-Q268 VanDerWaalsContact O-CB 3.3Å; Y259-Q268 WeakPolarHBondContact O-CB 3.45Å
260	S	96.4	Very high	95.8	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.028	16%	0.161	C	C	.	.	S	Bend	trans	-84.6	-49.6	174.1	-74.2	0	0	0	0	111.6	R44 N255 L257 A258 C267 Q268 Q269	R44-S260 PolarHBondContact NH1-OG 3.05Å; N255-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 VanDerWaalsContact O-CB 3.27Å; L257-S260 WeakPolarHBondContact O-CB 3.15Å; L257-S260 PolarHBondContact O-N 2.58Å; L257-S260 VanDerWaalsContact O-N 3.08Å; L257-S260 PolarHBondContact O-OG 3.27Å; A258-S260 PolarHBondContact O-N 3.26Å; S260-C267 WeakPolarHBondContact O-CA 3.22Å; S260-Q268 PolarHBondContact O-N 2.89Å; S260-Q269 PolarHBondContact O-N 3.45Å; S260-Q269 PolarHBondContact OG-OE1 2.71Å
261	W	97	Very high	95.6	Very high	20 Å²	20	37 Å²	37	8%	0.076	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142	178.3	-170.8	99.6	0	0	0	111.8	F221 N255 Y256 P263 N266 I440 T441 W444	F221-W261 AromaticContact CE1-CE3 3.88Å; F221-W261 HydrophobicContact CE1-CE3 3.88Å; F221-W261 AromaticContact CE1-CZ3 3.97Å; F221-W261 HydrophobicContact CE1-CZ3 3.97Å; F221-W261 HydrophobicContact CZ-CE3 4.22Å; F221-W261 AromaticContact CZ-CZ3 3.98Å; F221-W261 HydrophobicContact CZ-CZ3 3.98Å; N255-W261 WeakPolarHBondContact O-CB 3.19Å; N255-W261 PolarHBondContact O-N 2.98Å; Y256-W261 HydrophobicContact CD1-CB 4.34Å; Y256-W261 HydrophobicContact CD1-CD2 4.23Å; Y256-W261 AromaticContact CD1-CE3 3.6Å; Y256-W261 HydrophobicContact CD1-CE3 3.6Å; Y256-W261 HydrophobicContact CD1-CZ3 4.23Å; Y256-W261 HydrophobicContact CE1-CD2 4.27Å; Y256-W261 AromaticContact CE1-CE3 3.82Å; Y256-W261 HydrophobicContact CE1-CE3 3.82Å; Y256-W261 HydrophobicContact CE1-CZ3 4.19Å; W261-P263 HydrophobicContact CH2-CB 4.4Å; W261-P263 HydrophobicContact CH2-CG 4.09Å; W261-P263 HydrophobicContact CZ3-CG 3.83Å; W261-N266 WeakPolarHBondContact CA-O 3.5Å; W261-N266 VanDerWaalsContact CD1-C 3.46Å; W261-I440 HydrophobicContact CH2-CB 4.48Å; W261-I440 HydrophobicContact CH2-CG2 3.8Å; W261-I440 HydrophobicContact CZ2-CB 3.76Å; W261-I440 HydrophobicContact CZ2-CG2 3.49Å; W261-I440 VanDerWaalsContact CZ2-CG2 3.49Å; W261-T441 PolarHBondContact NE1-O 3.45Å; W261-W444 AromaticContact CD1-CH2 3.64Å; W261-W444 HydrophobicContact CD2-CH2 4.18Å; W261-W444 AromaticContact CG-CH2 3.98Å; W261-W444 HydrophobicContact CG-CH2 3.98Å; W261-W444 HydrophobicContact CG-CZ3 4.39Å; W261-W444 AromaticContact NE1-CH2 3.69Å
262	S	96.4	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.6	167	78.1	0	0	0	0	111.4	T264 K265 N266	S262-T264 PolarHBondContact O-N 3.06Å; S262-T264 VanDerWaalsContact O-N 3.1Å; S262-T264 PolarHBondContact OG-OG1 2.98Å; S262-K265 PolarHBondContact O-N 3.25Å; S262-K265 WeakPolarHBondContact OG-CB 3.48Å; S262-K265 PolarHBondContact OG-N 3.02Å; S262-K265 VanDerWaalsContact OG-N 3.09Å; S262-N266 PolarHBondContact N-O 3.08Å; S262-N266 WeakPolarHBondContact O-CA 3.41Å; S262-N266 PolarHBondContact O-N 3Å
263	P	95.3	Very high	95.2	Very high	77 Å²	77	43.6 Å²	43.6	50%	0.5	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.8	177.7	-26.4	34.8	0	0	0	114.4	F221 W261	F221-P263 HydrophobicContact CB-CG 4.39Å; F221-P263 VanDerWaalsContact CD1-CD 3.48Å; F221-P263 HydrophobicContact CD1-CG 4.35Å; F221-P263 HydrophobicContact CD2-CG 4.23Å; F221-P263 HydrophobicContact CG-CG 4.07Å; W261-P263 HydrophobicContact CH2-CB 4.4Å; W261-P263 HydrophobicContact CH2-CG 4.09Å; W261-P263 HydrophobicContact CZ3-CG 3.83Å
264	T	95.7	Very high	95.1	Very high	82 Å²	82	44.1 Å²	44.1	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-30.5	-176.8	47.4	0	0	0	0	113.4	D223 S262	D223-T264 PolarHBondContact O-OG1 3.37Å; S262-T264 PolarHBondContact O-N 3.06Å; S262-T264 VanDerWaalsContact O-N 3.1Å; S262-T264 PolarHBondContact OG-OG1 2.98Å
265	K	95.4	Very high	95	Very high	119 Å²	119	45.6 Å²	45.6	52%	0.517	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-8.8	-175.1	-63.6	-65.8	-174.2	177.7	0	113.8	D223 S262 Q268	D223-K265 WeakPolarHBondContact O-CG 3.28Å; S262-K265 PolarHBondContact O-N 3.25Å; S262-K265 WeakPolarHBondContact OG-CB 3.48Å; S262-K265 PolarHBondContact OG-N 3.02Å; S262-K265 VanDerWaalsContact OG-N 3.09Å; K265-Q268 HydrophobicContact CB-CG 3.75Å
266	N	95.5	Very high	94.7	Very high	84 Å²	84	52.6 Å²	52.6	45%	0.449	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.8	-152.3	-169.6	-59.7	-41.8	0	0	0	111.2	W261 S262 Q268	W261-N266 WeakPolarHBondContact CA-O 3.5Å; W261-N266 VanDerWaalsContact CD1-C 3.46Å; S262-N266 PolarHBondContact N-O 3.08Å; S262-N266 WeakPolarHBondContact O-CA 3.41Å; S262-N266 PolarHBondContact O-N 3Å; N266-Q268 PolarHBondContact O-N 3.42Å; N266-Q268 VanDerWaalsContact O-N 3.15Å
267	C	96.4	Very high	94.3	Very high	16 Å²	16	54 Å²	54	11%	0.108	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	103.6	-179.7	-174.7	0	0	0	0	111.5	S260 C270	S260-C267 WeakPolarHBondContact O-CA 3.22Å; C267-C270 HydrophobicContact CB-CB 3.85Å; C267-C270 WeakPolarHBondContact CB-SG 3.45Å; C267-C270 WeakPolarHBondContact SG-CB 3.28Å; C267-C270 PolarHBondContact SG-N 3.4Å; C267-C270 CovalentContact SG-SG 2.03Å; C267-C270 PolarHBondContact SG-SG 3.24Å
268	Q	95.1	Very high	93.7	Very high	48 Å²	48	61.8 Å²	61.8	22%	0.224	31%	0.313	C	S	.	.	S	Bend	trans	-81.2	-34.5	178	-71.6	166.6	99.9	0	0	111.6	V224 Y259 S260 K265 N266 C270	V224-Q268 PolarHBondContact O-NE2 2.85Å; V224-Q268 PolarHBondContact O-OE1 2.54Å; Y259-Q268 VanDerWaalsContact O-CB 3.3Å; Y259-Q268 WeakPolarHBondContact O-CB 3.45Å; S260-Q268 PolarHBondContact O-N 2.89Å; K265-Q268 HydrophobicContact CB-CG 3.75Å; N266-Q268 PolarHBondContact O-N 3.42Å; N266-Q268 VanDerWaalsContact O-N 3.15Å; Q268-C270 PolarHBondContact O-N 3.27Å
269	Q	94.1	Very high	93.3	Very high	26 Å²	26	66.3 Å²	66.3	12%	0.121	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-69.2	-13.6	177.8	68.4	-179.9	3.2	0	0	113.9	S260 D271 E272 R399 I443	S260-Q269 PolarHBondContact O-N 3.45Å; S260-Q269 PolarHBondContact OG-OE1 2.71Å; Q269-D271 PolarHBondContact O-N 2.86Å; Q269-E272 PolarHBondContact O-N 3.3Å; Q269-R399 PolarHBondContact O-NH2 3.4Å; Q269-I443 PolarHBondContact NE2-O 2.56Å
270	C	94.7	Very high	92.6	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.014	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-70	-22.8	-176.7	-73.9	0	0	0	0	113	C267 Q268 N274 I443 Q489	C267-C270 HydrophobicContact CB-CB 3.85Å; C267-C270 WeakPolarHBondContact CB-SG 3.45Å; C267-C270 WeakPolarHBondContact SG-CB 3.28Å; C267-C270 PolarHBondContact SG-N 3.4Å; C267-C270 CovalentContact SG-SG 2.03Å; C267-C270 PolarHBondContact SG-SG 3.24Å; Q268-C270 PolarHBondContact O-N 3.27Å; C270-N274 PolarHBondContact O-ND2 3.3Å; C270-N274 PolarHBondContact O-OD1 2.62Å; C270-I443 HydrophobicContact CB-CD1 4.29Å; C270-I443 VanDerWaalsContact SG-CG1 3.57Å; C270-I443 PolarHBondContact SG-N 2.87Å; C270-I443 VanDerWaalsContact SG-N 3.37Å; C270-Q489 VanDerWaalsContact CB-OE1 3.3Å
271	D	90.2	Very high	92.1	Very high	132 Å²	132	73.3 Å²	73.3	71%	0.706	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-95.8	-0.4	178.4	-67	-44.1	0	0	0	113.2	Q269 N274	Q269-D271 PolarHBondContact O-N 2.86Å; D271-N274 WeakPolarHBondContact CA-ND2 3.18Å
272	E	91.8	Very high	91.7	Very high	56 Å²	56	75.7 Å²	75.7	26%	0.262	39%	0.391	S	S	.	.	S	Bend	trans	-93.1	139.8	-175.6	-62.6	178.7	-158.8	0	0	112.5	R44 Q269 N274 R399	R44-E272 IonicContact CZ-OE1 2.79Å; R44-E272 IonicContact CZ-OE2 3.98Å; R44-E272 IonicContact NE-OE1 3.91Å; R44-E272 IonicContact NE-OE2 3.06Å; R44-E272 PolarHBondContact NE-OE2 3.34Å; R44-E272 VanDerWaalsContact NH2-CD 3.35Å; R44-E272 IonicContact NH2-OE1 2.85Å; R44-E272 PolarHBondContact NH2-OE1 2.85Å; R44-E272 IonicContact NH2-OE2 2.68Å; R44-E272 PolarHBondContact NH2-OE2 2.86Å; Q269-E272 PolarHBondContact O-N 3.3Å; E272-N274 PolarHBondContact O-N 3.23Å; E272-N274 VanDerWaalsContact O-N 3.12Å; E272-R399 PolarHBondContact O-NH1 3.3Å
273	D	89.7	Confident	91.6	Very high	126 Å²	126	78.3 Å²	78.3	67%	0.674	40%	0.401	S	S	*	.	S	Bend	trans	56.2	23.9	177.1	-58.3	-40.2	0	0	0	115	N398	D273-N398 VanDerWaalsContact O-CB 3.3Å; D273-N398 WeakPolarHBondContact O-CB 3.41Å; D273-N398 PolarHBondContact O-ND2 3.23Å
274	N	93.9	Very high	91.7	Very high	34 Å²	34	75.3 Å²	75.3	18%	0.182	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66.4	141.9	178.3	-75.8	-17.7	0	0	0	111.7	C270 D271 E272 E276 K396	C270-N274 PolarHBondContact O-ND2 3.3Å; C270-N274 PolarHBondContact O-OD1 2.62Å; D271-N274 WeakPolarHBondContact CA-ND2 3.18Å; E272-N274 PolarHBondContact O-N 3.23Å; E272-N274 VanDerWaalsContact O-N 3.12Å; N274-E276 PolarHBondContact O-N 2.84Å; N274-K396 CarbonylContact C-O 3.59Å; N274-K396 VanDerWaalsContact CA-O 3.24Å; N274-K396 WeakPolarHBondContact CA-O 3.41Å; N274-K396 HydrophobicContact CB-CG 4.26Å; N274-K396 PolarHBondContact OD1-O 3.01Å
275	I	93.9	Very high	91.7	Very high	39 Å²	39	71.8 Å²	71.8	20%	0.2	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-70.6	123.4	173.4	-60.3	177.7	0	0	0	108.7	I277 P284 Y375 V395 K396 N398	I275-I277 HydrophobicContact CG2-CG1 3.97Å; I275-P284 HydrophobicContact CD1-CG 4.37Å; I275-Y375 HydrophobicContact CD1-CE2 4.45Å; I275-V395 HydrophobicContact CD1-CG1 4.34Å; I275-V395 WeakPolarHBondContact CD1-O 3.3Å; I275-K396 PolarHBondContact N-O 3.15Å; I275-N398 HydrophobicContact CD1-CB 4.4Å; I275-N398 HydrophobicContact CG1-CB 3.99Å
276	E	92	Very high	91.9	Very high	153 Å²	153	66.1 Å²	66.1	72%	0.715	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-77.5	123.3	170.3	-64.1	-173.4	-177.4	0	0	109.8	N274	N274-E276 PolarHBondContact O-N 2.84Å
277	I	88	Confident	92	Very high	49 Å²	49	62.1 Å²	62.1	25%	0.251	31%	0.314	S	S	.	.			trans	-121.8	114.7	179.8	-59.4	176.2	0	0	0	107.5	I275 D282 Y283	I275-I277 HydrophobicContact CG2-CG1 3.97Å; I277-D282 HydrophobicContact CG2-CB 4.29Å; I277-Y283 HydrophobicContact CD1-CD1 4.31Å; I277-Y283 HydrophobicContact CD1-CE1 4.24Å; I277-Y283 HydrophobicContact CG2-CD1 4.34Å; I277-Y283 HydrophobicContact CG2-CD2 3.57Å; I277-Y283 HydrophobicContact CG2-CE1 4.05Å; I277-Y283 HydrophobicContact CG2-CE2 3.22Å; I277-Y283 HydrophobicContact CG2-CG 4.15Å; I277-Y283 VanDerWaalsContact CG2-CZ 3.49Å
278	Q	85.8	Confident	92.1	Very high	166 Å²	166	61.4 Å²	61.4	78%	0.776	31%	0.309	S	S	*	.			trans	-118.5	-38	179.8	-59.3	-176.6	11.9	0	0	111.7	D282	Q278-D282 WeakPolarHBondContact CA-OD2 3.42Å; Q278-D282 PolarHBondContact N-OD2 2.82Å
279	D	85.9	Confident	92.3	Very high	98 Å²	98	59.1 Å²	59.1	52%	0.524	30%	0.298	S	S	.	.	S	Bend	trans	-124.4	164.4	179.7	-156.8	-18.3	0	0	0	111.3	L281 D282 Y283	D279-L281 PolarHBondContact O-N 2.79Å; D279-L281 VanDerWaalsContact O-N 3.14Å; D279-D282 PolarHBondContact N-OD2 3.45Å; D279-D282 WeakPolarHBondContact O-CB 3.49Å; D279-D282 PolarHBondContact O-N 2.79Å; D279-Y283 WeakPolarHBondContact O-CD2 3.29Å
280	I	81.3	Confident	92.5	Very high	78 Å²	78	57.9 Å²	57.9	40%	0.4	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-55.6	-30.3	176.8	-164.9	164.6	0	0	0	112.7	D282 Y283 P312	I280-D282 VanDerWaalsContact C-N 3.29Å; I280-Y283 WeakPolarHBondContact O-CB 3.34Å; I280-Y283 PolarHBondContact O-N 2.81Å; I280-P312 HydrophobicContact CD1-CB 3.91Å; I280-P312 HydrophobicContact CD1-CG 4.33Å; I280-P312 HydrophobicContact CG1-CB 3.83Å; I280-P312 HydrophobicContact CG1-CG 3.87Å
281	L	85.6	Confident	92.6	Very high	135 Å²	135	57.8 Å²	57.8	71%	0.707	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-72.8	-22.3	178.7	-66.1	176.7	0	0	0	112.8	D279 Y283	D279-L281 PolarHBondContact O-N 2.79Å; D279-L281 VanDerWaalsContact O-N 3.14Å; L281-Y283 VanDerWaalsContact C-N 3.28Å
282	D	89.1	Confident	93	Very high	70 Å²	70	51.5 Å²	51.5	37%	0.374	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-75.3	-21.7	177.2	-57.7	-31.3	0	0	0	111.5	I277 Q278 D279 I280 P284	I277-D282 HydrophobicContact CG2-CB 4.29Å; Q278-D282 WeakPolarHBondContact CA-OD2 3.42Å; Q278-D282 PolarHBondContact N-OD2 2.82Å; D279-D282 PolarHBondContact N-OD2 3.45Å; D279-D282 WeakPolarHBondContact O-CB 3.49Å; D279-D282 PolarHBondContact O-N 2.79Å; I280-D282 VanDerWaalsContact C-N 3.29Å; D282-P284 WeakPolarHBondContact O-CD 3.4Å
283	Y	94.6	Very high	93.1	Very high	54 Å²	54	50.2 Å²	50.2	21%	0.212	25%	0.252	C	S	.	.	S	Bend	trans	-65.2	119.9	176	-75.6	-95	0	0	0	110.3	I277 D279 I280 L281 Y311 P312 R315	I277-Y283 HydrophobicContact CD1-CD1 4.31Å; I277-Y283 HydrophobicContact CD1-CE1 4.24Å; I277-Y283 HydrophobicContact CG2-CD1 4.34Å; I277-Y283 HydrophobicContact CG2-CD2 3.57Å; I277-Y283 HydrophobicContact CG2-CE1 4.05Å; I277-Y283 HydrophobicContact CG2-CE2 3.22Å; I277-Y283 HydrophobicContact CG2-CG 4.15Å; I277-Y283 VanDerWaalsContact CG2-CZ 3.49Å; D279-Y283 WeakPolarHBondContact O-CD2 3.29Å; I280-Y283 WeakPolarHBondContact O-CB 3.34Å; I280-Y283 PolarHBondContact O-N 2.81Å; L281-Y283 VanDerWaalsContact C-N 3.28Å; Y283-Y311 HydrophobicContact CD1-CD1 4.49Å; Y283-Y311 AromaticContact CD1-CD2 3.81Å; Y283-Y311 HydrophobicContact CD1-CD2 3.81Å; Y283-Y311 HydrophobicContact CD1-CE1 4.19Å; Y283-Y311 AromaticContact CD1-CE2 3.46Å; Y283-Y311 HydrophobicContact CD1-CE2 3.46Å; Y283-Y311 VanDerWaalsContact CD1-CE2 3.46Å; Y283-Y311 HydrophobicContact CD1-CG 4.33Å; Y283-Y311 AromaticContact CD1-CZ 3.65Å; Y283-Y311 HydrophobicContact CE1-CD2 4.05Å; Y283-Y311 HydrophobicContact CE1-CE2 4.08Å; Y283-P312 VanDerWaalsContact CD1-CD 3.49Å; Y283-P312 HydrophobicContact CD1-CG 4.01Å; Y283-P312 HydrophobicContact CD2-CG 3.79Å; Y283-P312 HydrophobicContact CE1-CG 4.21Å; Y283-P312 HydrophobicContact CE2-CG 3.98Å; Y283-P312 HydrophobicContact CG-CG 3.78Å; Y283-R315 PolarHBondContact O-NE 2.9Å; Y283-R315 PolarHBondContact O-NH2 3.06Å
284	P	96.2	Very high	93.3	Very high	15 Å²	15	47.6 Å²	47.6	10%	0.097	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-57.1	151.9	173.3	-26.9	37.2	0	0	0	112.9	I275 D282 V286 Y311 K374 Y375 V395	I275-P284 HydrophobicContact CD1-CG 4.37Å; D282-P284 WeakPolarHBondContact O-CD 3.4Å; P284-V286 PolarHBondContact O-N 2.92Å; P284-Y311 WeakPolarHBondContact CD-OH 3.28Å; P284-Y311 PolarHBondContact O-OH 3.34Å; P284-K374 HydrophobicContact CB-CB 3.82Å; P284-K374 HydrophobicContact CB-CG 3.85Å; P284-Y375 HydrophobicContact CB-CD2 3.99Å; P284-Y375 HydrophobicContact CB-CE2 3.95Å; P284-Y375 HydrophobicContact CG-CD2 4.45Å; P284-Y375 HydrophobicContact CG-CE2 3.97Å; P284-V395 HydrophobicContact CG-CG1 3.76Å
285	L	97.2	Very high	93.4	Very high	8 Å²	8	46 Å²	46	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.3	169	-171.2	77.3	0	0	0	108.9	I370 D372 C373 K374	L285-I370 HydrophobicContact CD2-CG2 3.55Å; L285-D372 HydrophobicContact CD2-CB 4.16Å; L285-C373 HydrophobicContact CD2-CB 4.38Å; L285-K374 PolarHBondContact O-N 3.47Å
286	V	98.5	Very high	93.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.8	-177.4	179.1	0	0	0	0	110.2	P284 Y311 R315 L316 H317 Y375 F377 L391 V395 L454	P284-V286 PolarHBondContact O-N 2.92Å; V286-Y311 HydrophobicContact CG2-CE1 4.21Å; V286-Y311 WeakPolarHBondContact CG2-OH 3.27Å; V286-R315 PolarHBondContact N-O 3.3Å; V286-L316 HydrophobicContact CB-CD2 3.82Å; V286-L316 HydrophobicContact CG1-CD2 4.17Å; V286-L316 WeakPolarHBondContact O-CA 3.46Å; V286-H317 PolarHBondContact O-N 3.3Å; V286-Y375 WeakPolarHBondContact CA-O 3.45Å; V286-Y375 HydrophobicContact CG2-CD2 4.29Å; V286-F377 HydrophobicContact CG1-CB 4.06Å; V286-L391 HydrophobicContact CG1-CD1 4.46Å; V286-V395 HydrophobicContact CG2-CG2 4.26Å; V286-L454 HydrophobicContact CG1-CD1 4.37Å
287	V	98.7	Very high	93.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.6	165.9	171.5	0	0	0	0	108.2	H317 V319 V363 Y366 C367 I370 Y375 V376 F377	V287-H317 CarbonylContact C-O 3.56Å; V287-H317 WeakPolarHBondContact CA-O 3.31Å; V287-H317 HydrophobicContact CG2-CB 4.02Å; V287-V319 HydrophobicContact CG1-CB 4.42Å; V287-V319 HydrophobicContact CG1-CG2 3.91Å; V287-V363 HydrophobicContact CG1-CG1 4.02Å; V287-Y366 HydrophobicContact CG1-CD1 4.16Å; V287-Y366 HydrophobicContact CG2-CD1 3.79Å; V287-Y366 HydrophobicContact CG2-CE1 4.22Å; V287-C367 HydrophobicContact CB-CB 4.26Å; V287-C367 HydrophobicContact CG2-CB 3.92Å; V287-I370 HydrophobicContact CG2-CD1 4.39Å; V287-Y375 PolarHBondContact N-O 3.01Å; V287-V376 HydrophobicContact CB-CG2 4.14Å; V287-V376 HydrophobicContact CG1-CG2 4.48Å; V287-V376 CarbonylContact O-C 3.59Å; V287-V376 WeakPolarHBondContact O-CA 3.37Å; V287-F377 PolarHBondContact O-N 3.3Å
288	M	98.7	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.4	171.1	-174.3	-177.8	-69.6	0	0	109.2	I290 I306 L309 L316 H317 V318 V319 F377 L391	M288-I290 HydrophobicContact CG-CG1 4.24Å; M288-I290 HydrophobicContact SD-CD1 4.36Å; M288-I290 HydrophobicContact SD-CG1 4.44Å; M288-I306 HydrophobicContact SD-CD1 4.14Å; M288-I306 HydrophobicContact SD-CG2 3.78Å; M288-L309 HydrophobicContact CE-CD1 3.47Å; M288-L309 VanDerWaalsContact CE-CD1 3.47Å; M288-L316 HydrophobicContact CE-CD1 4.09Å; M288-L316 HydrophobicContact CE-CD2 4.44Å; M288-H317 PolarHBondContact N-O 3.08Å; M288-V318 WeakPolarHBondContact O-CA 3.23Å; M288-V319 PolarHBondContact O-N 3.21Å; M288-F377 CarbonylContact C-O 3.43Å; M288-F377 WeakPolarHBondContact CA-O 3.1Å; M288-F377 HydrophobicContact CE-CD1 4.19Å; M288-F377 HydrophobicContact CG-CD1 4.33Å; M288-L391 HydrophobicContact CE-CD2 4.04Å
289	G	98.3	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.3	173.5	0	0	0	0	0	110.8	F291 V319 F377 V379	G289-F291 WeakPolarHBondContact O-CD2 3.36Å; G289-F291 WeakPolarHBondContact O-CE2 3.24Å; G289-V319 CarbonylContact C-O 3.53Å; G289-V319 VanDerWaalsContact CA-O 3.29Å; G289-V319 WeakPolarHBondContact CA-O 3.38Å; G289-F377 PolarHBondContact N-O 3.06Å; G289-V379 PolarHBondContact O-N 2.9Å
290	I	98.4	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.5	176.8	-63.6	176.8	0	0	0	109.2	M288 I292 F302 F303 I306 V318 V319 G320 H321 V379	M288-I290 HydrophobicContact CG-CG1 4.24Å; M288-I290 HydrophobicContact SD-CD1 4.36Å; M288-I290 HydrophobicContact SD-CG1 4.44Å; I290-I292 HydrophobicContact CG2-CG1 4.31Å; I290-F302 HydrophobicContact CG2-CE1 3.74Å; I290-F302 HydrophobicContact CG2-CZ 3.93Å; I290-F303 HydrophobicContact CD1-CE1 4.24Å; I290-I306 HydrophobicContact CD1-CG2 4.1Å; I290-V318 HydrophobicContact CD1-CG1 3.75Å; I290-V318 HydrophobicContact CG1-CG1 4.35Å; I290-V319 PolarHBondContact N-O 2.76Å; I290-G320 CarbonylContact O-C 3.57Å; I290-G320 WeakPolarHBondContact O-CA 3.45Å; I290-H321 PolarHBondContact O-N 3.26Å; I290-V379 WeakPolarHBondContact CA-O 3.44Å
291	F	97.5	Very high	95.9	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.4	-176.6	-60.6	-80.7	0	0	0	111.4	G289 E293 H321 A359 R360 V363 A378 V379 D380 S381	G289-F291 WeakPolarHBondContact O-CD2 3.36Å; G289-F291 WeakPolarHBondContact O-CE2 3.24Å; F291-E293 HydrophobicContact CB-CG 4.05Å; F291-E293 WeakPolarHBondContact CB-OE1 3.11Å; F291-H321 HydrophobicContact CD1-CB 4.12Å; F291-H321 HydrophobicContact CE1-CB 4.46Å; F291-A359 HydrophobicContact CE1-CB 4.42Å; F291-R360 HydrophobicContact CD1-CG 3.91Å; F291-R360 VanDerWaalsContact CD2-NH1 3.35Å; F291-R360 HydrophobicContact CE1-CB 4.13Å; F291-R360 HydrophobicContact CE1-CG 3.45Å; F291-R360 VanDerWaalsContact CE1-CG 3.45Å; F291-R360 HydrophobicContact CE2-CG 4.26Å; F291-R360 HydrophobicContact CZ-CB 4.19Å; F291-R360 HydrophobicContact CZ-CG 3.64Å; F291-V363 HydrophobicContact CE1-CG2 3.9Å; F291-V363 HydrophobicContact CZ-CB 3.97Å; F291-V363 HydrophobicContact CZ-CG1 4.27Å; F291-V363 HydrophobicContact CZ-CG2 3.64Å; F291-A378 HydrophobicContact CE2-CB 3.9Å; F291-V379 PolarHBondContact N-O 3.23Å; F291-D380 WeakPolarHBondContact O-CA 3.33Å; F291-S381 PolarHBondContact O-N 3.33Å; F291-S381 PolarHBondContact O-OG 2.93Å
292	I	97.3	Very high	96.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	81.5	176.8	-53.7	166.9	0	0	0	107.2	I290 I299 F303 H321 M322 A323 S326 W349	I290-I292 HydrophobicContact CG2-CG1 4.31Å; I292-I299 HydrophobicContact CD1-CD1 4.08Å; I292-I299 HydrophobicContact CG1-CD1 4.45Å; I292-I299 HydrophobicContact CG2-CD1 4.05Å; I292-F303 HydrophobicContact CD1-CE2 4.18Å; I292-F303 HydrophobicContact CD1-CZ 3.88Å; I292-H321 PolarHBondContact N-O 3.21Å; I292-M322 HydrophobicContact CB-CB 4.39Å; I292-M322 HydrophobicContact CB-CG 4.2Å; I292-M322 HydrophobicContact CD1-CE 3.49Å; I292-M322 VanDerWaalsContact CD1-CE 3.49Å; I292-M322 HydrophobicContact CG2-CE 4.44Å; I292-M322 HydrophobicContact CG2-CG 4.28Å; I292-M322 CarbonylContact O-C 3.52Å; I292-M322 WeakPolarHBondContact O-CA 3.3Å; I292-A323 PolarHBondContact O-N 2.91Å; I292-S326 PolarHBondContact O-OG 2.81Å; I292-W349 HydrophobicContact CD1-CH2 4.1Å; I292-W349 HydrophobicContact CD1-CZ3 4.27Å
293	E	94.6	Very high	96.9	Very high	28 Å²	28	15.6 Å²	15.6	13%	0.131	7%	0.07	C	C	.	.			trans	-95	-9	-170	-52.8	-54.1	141.6	0	0	113.7	F291 H321 N325 E356	F291-E293 HydrophobicContact CB-CG 4.05Å; F291-E293 WeakPolarHBondContact CB-OE1 3.11Å; E293-H321 IonicContact OE1-CE1 2.73Å; E293-H321 IonicContact OE1-CG 3.05Å; E293-H321 IonicContact OE1-ND1 3.8Å; E293-H321 PolarHBondContact OE1-ND1 3.27Å; E293-H321 IonicContact OE2-CE1 3.4Å; E293-H321 PolarHBondContact OE2-CE1 3.37Å; E293-H321 IonicContact OE2-ND1 2.87Å; E293-H321 PolarHBondContact OE2-ND1 2.95Å; E293-N325 PolarHBondContact O-ND2 3.16Å; E293-N325 PolarHBondContact O-OD1 2.99Å; E293-N325 VanDerWaalsContact O-OD1 3.1Å; E293-E356 HydrophobicContact CG-CB 4.32Å; E293-E356 HydrophobicContact CG-CG 3.78Å
294	Q	93.8	Very high	97.1	Very high	71 Å²	71	18.8 Å²	18.8	33%	0.332	9%	0.087	S	C	.	.	S	Bend	trans	-151.2	172.8	175.5	63	-172.1	7.4	0	0	110	T296 S326 A498	Q294-T296 PolarHBondContact O-N 3.09Å; Q294-T296 PolarHBondContact O-OG1 2.03Å; Q294-S326 WeakPolarHBondContact O-CB 3.25Å; Q294-A498 HydrophobicContact CG-CB 4.29Å; Q294-A498 VanDerWaalsContact NE2-CB 3.27Å
295	G	95.1	Very high	97.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	9%	0.087	C	C	.	.			trans	-66.4	124	173.7	0	0	0	0	0	109.6	Y501	G295-Y501 VanDerWaalsContact O-CD1 3.26Å; G295-Y501 WeakPolarHBondContact O-CD1 2.67Å
296	T	96.7	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.			trans	-112.1	124.2	-171	-66.6	0	0	0	0	110.8	Q294 Q329 S381 I382	Q294-T296 PolarHBondContact O-N 3.09Å; Q294-T296 PolarHBondContact O-OG1 2.03Å; T296-Q329 PolarHBondContact O-NE2 3.35Å; T296-S381 VanDerWaalsContact CG2-O 3.3Å; T296-S381 WeakPolarHBondContact CG2-O 3.46Å; T296-S381 PolarHBondContact OG1-OG 2.74Å; T296-I382 HydrophobicContact CG2-CG2 4.27Å
297	P	97.4	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	139.4	170.5	-20.3	30.2	0	0	0	112	I299 A498 Y501 D509 Q512	P297-I299 VanDerWaalsContact C-N 3.34Å; P297-I299 PolarHBondContact O-N 3.35Å; P297-A498 HydrophobicContact CG-CB 4.41Å; P297-Y501 HydrophobicContact CB-CD2 4.13Å; P297-Y501 HydrophobicContact CB-CE2 4.12Å; P297-Y501 HydrophobicContact CG-CD2 3.62Å; P297-Y501 HydrophobicContact CG-CE2 4.09Å; P297-Y501 HydrophobicContact CG-CG 4.07Å; P297-D509 WeakPolarHBondContact CA-OD1 3.49Å; P297-Q512 HydrophobicContact CB-CG 4.16Å
298	F	97.1	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	44.7	174.1	-48.6	-76.1	0	0	0	113.3	E300 R301 F302 Q384 T496 D509 Q512 N516 D519 W520 Q523 Y524	F298-E300 VanDerWaalsContact C-N 3.33Å; F298-E300 PolarHBondContact O-N 3.39Å; F298-R301 HydrophobicContact CB-CB 4.32Å; F298-R301 WeakPolarHBondContact O-CB 3.45Å; F298-R301 PolarHBondContact O-N 3.38Å; F298-F302 PolarHBondContact O-N 2.96Å; F298-F302 VanDerWaalsContact O-N 3.17Å; F298-Q384 PolarHBondContact O-NE2 2.93Å; F298-T496 HydrophobicContact CD2-CG2 4.48Å; F298-D509 VanDerWaalsContact CA-OD2 3.29Å; F298-D509 WeakPolarHBondContact CA-OD2 3.29Å; F298-D509 HydrophobicContact CD1-CB 4.09Å; F298-D509 HydrophobicContact CE1-CB 3.83Å; F298-D509 HydrophobicContact CZ-CB 4.36Å; F298-D509 VanDerWaalsContact N-CG 3.34Å; F298-D509 PolarHBondContact N-OD1 3.17Å; F298-D509 PolarHBondContact N-OD2 2.84Å; F298-D509 VanDerWaalsContact N-OD2 3.14Å; F298-Q512 HydrophobicContact CE2-CB 3.85Å; F298-Q512 HydrophobicContact CE2-CG 4.3Å; F298-Q512 HydrophobicContact CZ-CB 3.73Å; F298-Q512 HydrophobicContact CZ-CG 4.42Å; F298-N516 HydrophobicContact CD2-CB 4.43Å; F298-N516 HydrophobicContact CE2-CB 3.68Å; F298-D519 HydrophobicContact CD1-CB 4.39Å; F298-D519 HydrophobicContact CD2-CB 3.43Å; F298-D519 VanDerWaalsContact CD2-CB 3.43Å; F298-D519 HydrophobicContact CE1-CB 4.27Å; F298-D519 HydrophobicContact CE2-CB 3.31Å; F298-D519 HydrophobicContact CG-CB 3.99Å; F298-D519 HydrophobicContact CZ-CB 3.75Å; F298-W520 HydrophobicContact CZ-CB 3.95Å; F298-Q523 VanDerWaalsContact CD1-OE1 3.27Å; F298-Q523 HydrophobicContact CE1-CB 4.3Å; F298-Y524 HydrophobicContact CE1-CE2 4.18Å
299	I	96.9	Very high	97.1	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-68.7	-29.8	-175.7	-167.1	167.2	0	0	0	112.7	I292 P297 R301 F302 F303 Q329 V332	I292-I299 HydrophobicContact CD1-CD1 4.08Å; I292-I299 HydrophobicContact CG1-CD1 4.45Å; I292-I299 HydrophobicContact CG2-CD1 4.05Å; P297-I299 VanDerWaalsContact C-N 3.34Å; P297-I299 PolarHBondContact O-N 3.35Å; I299-R301 VanDerWaalsContact C-N 3.28Å; I299-R301 PolarHBondContact O-N 3.12Å; I299-F302 WeakPolarHBondContact O-CB 3.03Å; I299-F302 PolarHBondContact O-N 3.14Å; I299-F303 HydrophobicContact CD1-CE2 4.25Å; I299-F303 HydrophobicContact CG1-CD2 4.12Å; I299-F303 HydrophobicContact CG1-CE2 3.94Å; I299-F303 WeakPolarHBondContact O-CD2 3.14Å; I299-F303 PolarHBondContact O-N 3.21Å; I299-F303 VanDerWaalsContact O-N 3.16Å; I299-Q329 HydrophobicContact CD1-CB 3.98Å; I299-Q329 HydrophobicContact CG2-CB 4.39Å; I299-V332 HydrophobicContact CG2-CB 4.21Å; I299-V332 HydrophobicContact CG2-CG1 4.18Å; I299-V332 HydrophobicContact CG2-CG2 3.92Å
300	E	95.8	Very high	97	Very high	88 Å²	88	24.9 Å²	24.9	41%	0.411	13%	0.131	S	C	.	.	H	α-helix	trans	-58.2	-46.1	172.3	-67.3	78.8	-178.8	0	0	110.1	F298 F302 F303 E304 V332	F298-E300 VanDerWaalsContact C-N 3.33Å; F298-E300 PolarHBondContact O-N 3.39Å; E300-F302 VanDerWaalsContact C-N 3.32Å; E300-F302 PolarHBondContact O-N 2.81Å; E300-F303 PolarHBondContact O-N 3.39Å; E300-F303 VanDerWaalsContact O-N 3.14Å; E300-E304 WeakPolarHBondContact O-CG 3.29Å; E300-E304 PolarHBondContact O-N 3.33Å; E300-V332 HydrophobicContact CB-CG1 4.31Å; E300-V332 HydrophobicContact CG-CG1 3.85Å; E300-V332 HydrophobicContact CG-CG2 4.08Å; E300-V332 WeakPolarHBondContact OE1-CG2 3.38Å
301	R	96.4	Very high	97	Very high	53 Å²	53	24.9 Å²	24.9	20%	0.2	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-34.1	179.3	-165	173.7	-172.5	-172.3	-0.5	112.7	F298 I299 E304 R305 D519 E522	F298-R301 HydrophobicContact CB-CB 4.32Å; F298-R301 WeakPolarHBondContact O-CB 3.45Å; F298-R301 PolarHBondContact O-N 3.38Å; I299-R301 VanDerWaalsContact C-N 3.28Å; I299-R301 PolarHBondContact O-N 3.12Å; R301-E304 PolarHBondContact O-N 3.03Å; R301-R305 WeakPolarHBondContact O-CB 3.38Å; R301-R305 WeakPolarHBondContact O-CG 3.46Å; R301-R305 PolarHBondContact O-N 2.92Å; R301-D519 IonicContact NH1-OD1 3.31Å; R301-E522 IonicContact CZ-OE2 3.32Å; R301-E522 IonicContact NH1-OE2 3.9Å; R301-E522 PolarHBondContact NH1-OE2 3.46Å; R301-E522 IonicContact NH2-OE2 3.36Å; R301-E522 PolarHBondContact NH2-OE2 3.44Å
302	F	98.1	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-50.8	170.5	167.3	-97.4	0	0	0	110.5	I290 F298 I299 E300 R305 I306 V379 S381 A383	I290-F302 HydrophobicContact CG2-CE1 3.74Å; I290-F302 HydrophobicContact CG2-CZ 3.93Å; F298-F302 PolarHBondContact O-N 2.96Å; F298-F302 VanDerWaalsContact O-N 3.17Å; I299-F302 WeakPolarHBondContact O-CB 3.03Å; I299-F302 PolarHBondContact O-N 3.14Å; E300-F302 VanDerWaalsContact C-N 3.32Å; E300-F302 PolarHBondContact O-N 2.81Å; F302-R305 WeakPolarHBondContact O-CB 3.19Å; F302-R305 PolarHBondContact O-N 3.34Å; F302-I306 HydrophobicContact CD1-CG1 4.34Å; F302-I306 HydrophobicContact CD2-CG1 4.47Å; F302-I306 HydrophobicContact CE1-CG1 3.88Å; F302-I306 HydrophobicContact CE2-CD1 4.07Å; F302-I306 HydrophobicContact CE2-CG1 4.03Å; F302-I306 HydrophobicContact CZ-CD1 3.91Å; F302-I306 HydrophobicContact CZ-CG1 3.71Å; F302-I306 WeakPolarHBondContact O-CG1 3.35Å; F302-I306 PolarHBondContact O-N 3.33Å; F302-V379 HydrophobicContact CE2-CG1 3.85Å; F302-V379 HydrophobicContact CZ-CG1 4.2Å; F302-S381 VanDerWaalsContact CD2-O 3.3Å; F302-S381 WeakPolarHBondContact CD2-O 3.5Å; F302-A383 WeakPolarHBondContact CD2-O 3.46Å; F302-A383 WeakPolarHBondContact CE2-O 3.39Å
303	F	98	Very high	96.9	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-68.4	-35.2	180	-79.5	-69	0	0	0	113.7	I290 I292 I299 E300 R305 I306 A307 V332 A333 F336 W349	I290-F303 HydrophobicContact CD1-CE1 4.24Å; I292-F303 HydrophobicContact CD1-CE2 4.18Å; I292-F303 HydrophobicContact CD1-CZ 3.88Å; I299-F303 HydrophobicContact CD1-CE2 4.25Å; I299-F303 HydrophobicContact CG1-CD2 4.12Å; I299-F303 HydrophobicContact CG1-CE2 3.94Å; I299-F303 WeakPolarHBondContact O-CD2 3.14Å; I299-F303 PolarHBondContact O-N 3.21Å; I299-F303 VanDerWaalsContact O-N 3.16Å; E300-F303 PolarHBondContact O-N 3.39Å; E300-F303 VanDerWaalsContact O-N 3.14Å; F303-R305 VanDerWaalsContact C-N 3.28Å; F303-R305 PolarHBondContact O-N 2.72Å; F303-I306 PolarHBondContact O-N 2.81Å; F303-A307 WeakPolarHBondContact O-CB 3.37Å; F303-A307 PolarHBondContact O-N 3.32Å; F303-V332 HydrophobicContact CD2-CG1 3.66Å; F303-V332 HydrophobicContact CE2-CG1 4.18Å; F303-A333 HydrophobicContact CE2-CB 4.05Å; F303-A333 HydrophobicContact CZ-CB 3.74Å; F303-F336 HydrophobicContact CB-CB 4.09Å; F303-F336 HydrophobicContact CB-CD2 3.92Å; F303-F336 HydrophobicContact CB-CG 4.23Å; F303-F336 HydrophobicContact CD1-CB 3.64Å; F303-F336 AromaticContact CD1-CD1 3.76Å; F303-F336 HydrophobicContact CD1-CD1 3.76Å; F303-F336 AromaticContact CD1-CD2 3.61Å; F303-F336 HydrophobicContact CD1-CD2 3.61Å; F303-F336 HydrophobicContact CD1-CE1 4.32Å; F303-F336 HydrophobicContact CD1-CE2 4.18Å; F303-F336 AromaticContact CD1-CG 3.37Å; F303-F336 HydrophobicContact CD1-CG 3.37Å; F303-F336 HydrophobicContact CE1-CB 4.16Å; F303-F336 AromaticContact CE1-CD1 3.9Å; F303-F336 HydrophobicContact CE1-CD1 3.9Å; F303-F336 HydrophobicContact CE1-CE1 4.46Å; F303-F336 AromaticContact CE1-CG 3.94Å; F303-F336 HydrophobicContact CE1-CG 3.94Å; F303-F336 HydrophobicContact CG-CB 3.88Å; F303-F336 HydrophobicContact CG-CD2 4.16Å; F303-F336 HydrophobicContact CG-CG 4.03Å; F303-W349 HydrophobicContact CE1-CH2 4.48Å; F303-W349 HydrophobicContact CZ-CH2 4.1Å; F303-W349 HydrophobicContact CZ-CZ2 4.43Å
304	E	97.2	Very high	97	Very high	121 Å²	121	29.7 Å²	29.7	57%	0.565	16%	0.161	S	C	*	.	H	α-helix	trans	-57.7	-43.1	171.2	-72.5	173.2	175.7	0	0	111.3	E300 R301 A307 A308	E300-E304 WeakPolarHBondContact O-CG 3.29Å; E300-E304 PolarHBondContact O-N 3.33Å; R301-E304 PolarHBondContact O-N 3.03Å; E304-A307 PolarHBondContact O-N 2.93Å; E304-A308 WeakPolarHBondContact O-CB 3.19Å; E304-A308 PolarHBondContact O-N 3.25Å
305	R	97.9	Very high	97.1	Very high	25 Å²	25	29.2 Å²	29.2	9%	0.094	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-40.8	176.8	-77.5	170.1	167.6	149.5	-7.9	112.7	R301 F302 F303 A307 A308 L309 Q384 L385 Y494	R301-R305 WeakPolarHBondContact O-CB 3.38Å; R301-R305 WeakPolarHBondContact O-CG 3.46Å; R301-R305 PolarHBondContact O-N 2.92Å; F302-R305 WeakPolarHBondContact O-CB 3.19Å; F302-R305 PolarHBondContact O-N 3.34Å; F303-R305 VanDerWaalsContact C-N 3.28Å; F303-R305 PolarHBondContact O-N 2.72Å; R305-A307 VanDerWaalsContact C-N 3.31Å; R305-A307 PolarHBondContact O-N 2.93Å; R305-A308 PolarHBondContact O-N 3.29Å; R305-A308 VanDerWaalsContact O-N 3.12Å; R305-L309 PolarHBondContact O-N 3.47Å; R305-L309 VanDerWaalsContact O-N 3.16Å; R305-Q384 VanDerWaalsContact NH1-CB 3.34Å; R305-L385 WeakPolarHBondContact CB-O 3.45Å; R305-L385 WeakPolarHBondContact CG-O 3.23Å; R305-Y494 PolarHBondContact NH1-OH 2.74Å; R305-Y494 VanDerWaalsContact NH2-CE1 3.33Å; R305-Y494 PolarHBondContact NH2-OH 3.35Å
306	I	98.2	Very high	97.2	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-42.2	172.9	-67.7	-62.5	0	0	0	111.3	M288 I290 F302 F303 A308 L309 F336 Y344 V379	M288-I306 HydrophobicContact SD-CD1 4.14Å; M288-I306 HydrophobicContact SD-CG2 3.78Å; I290-I306 HydrophobicContact CD1-CG2 4.1Å; F302-I306 HydrophobicContact CD1-CG1 4.34Å; F302-I306 HydrophobicContact CD2-CG1 4.47Å; F302-I306 HydrophobicContact CE1-CG1 3.88Å; F302-I306 HydrophobicContact CE2-CD1 4.07Å; F302-I306 HydrophobicContact CE2-CG1 4.03Å; F302-I306 HydrophobicContact CZ-CD1 3.91Å; F302-I306 HydrophobicContact CZ-CG1 3.71Å; F302-I306 WeakPolarHBondContact O-CG1 3.35Å; F302-I306 PolarHBondContact O-N 3.33Å; F303-I306 PolarHBondContact O-N 2.81Å; I306-A308 VanDerWaalsContact C-N 3.3Å; I306-A308 PolarHBondContact O-N 3.29Å; I306-L309 HydrophobicContact CD1-CD1 4.22Å; I306-F336 HydrophobicContact CB-CE2 4.46Å; I306-F336 HydrophobicContact CG2-CE2 3.96Å; I306-F336 HydrophobicContact CG2-CZ 3.86Å; I306-Y344 PolarHBondContact O-OH 2.94Å; I306-V379 HydrophobicContact CD1-CG1 4.49Å
307	A	97.8	Very high	97.3	Very high	14 Å²	14	29.7 Å²	29.7	12%	0.116	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-33.2	175.5	0	0	0	0	0	112.5	F303 E304 R305 F336 F340 Y344	F303-A307 WeakPolarHBondContact O-CB 3.37Å; F303-A307 PolarHBondContact O-N 3.32Å; E304-A307 PolarHBondContact O-N 2.93Å; R305-A307 VanDerWaalsContact C-N 3.31Å; R305-A307 PolarHBondContact O-N 2.93Å; A307-F336 HydrophobicContact CB-CE2 4.19Å; A307-F340 HydrophobicContact CB-CD1 3.85Å; A307-F340 HydrophobicContact CB-CD2 3.77Å; A307-F340 HydrophobicContact CB-CE1 3.86Å; A307-F340 HydrophobicContact CB-CE2 3.77Å; A307-F340 HydrophobicContact CB-CG 3.81Å; A307-F340 HydrophobicContact CB-CZ 3.82Å; A307-Y344 WeakPolarHBondContact CA-OH 3.49Å
308	A	98	Very high	97.4	Very high	60 Å²	60	29.7 Å²	29.7	50%	0.496	16%	0.158	S	C	.	.	H	α-helix	trans	-78.5	-14.5	-178.4	0	0	0	0	0	114.8	E304 R305 I306 S310 P388	E304-A308 WeakPolarHBondContact O-CB 3.19Å; E304-A308 PolarHBondContact O-N 3.25Å; R305-A308 PolarHBondContact O-N 3.29Å; R305-A308 VanDerWaalsContact O-N 3.12Å; I306-A308 VanDerWaalsContact C-N 3.3Å; I306-A308 PolarHBondContact O-N 3.29Å; A308-S310 PolarHBondContact O-N 3.04Å; A308-P388 WeakPolarHBondContact O-CB 3.39Å
309	L	98.2	Very high	97.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.159	C	C	.	.			trans	-51.4	132.8	177.4	-70.9	174.7	0	0	0	111.2	M288 R305 I306 Y311 K313 L385 P388	M288-L309 HydrophobicContact CE-CD1 3.47Å; M288-L309 VanDerWaalsContact CE-CD1 3.47Å; R305-L309 PolarHBondContact O-N 3.47Å; R305-L309 VanDerWaalsContact O-N 3.16Å; I306-L309 HydrophobicContact CD1-CD1 4.22Å; L309-Y311 VanDerWaalsContact C-N 3.29Å; L309-Y311 PolarHBondContact O-N 3.18Å; L309-K313 WeakPolarHBondContact O-CE 3.35Å; L309-K313 PolarHBondContact O-NZ 2.86Å; L309-L385 HydrophobicContact CD2-CD1 4.37Å; L309-P388 CarbonylContact C-O 3.52Å; L309-P388 WeakPolarHBondContact CA-O 3.12Å
310	S	96.5	Very high	97.5	Very high	47 Å²	47	29.7 Å²	29.7	33%	0.329	16%	0.158	S	C	.	.			trans	-74.6	-17.4	-171.1	66.7	0	0	0	0	113.8	A308 P388 D389 S392	A308-S310 PolarHBondContact O-N 3.04Å; S310-P388 PolarHBondContact N-O 3.1Å; S310-P388 PolarHBondContact OG-O 2.76Å; S310-D389 WeakPolarHBondContact CB-OD1 3.25Å; S310-D389 PolarHBondContact OG-OD1 3.29Å; S310-S392 PolarHBondContact OG-OG 3.29Å
311	Y	97.6	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-54.2	139	179.6	-155	-87.4	0	0	0	111.7	Y283 P284 V286 L309 K313 R315 L316 L391 V395	Y283-Y311 HydrophobicContact CD1-CD1 4.49Å; Y283-Y311 AromaticContact CD1-CD2 3.81Å; Y283-Y311 HydrophobicContact CD1-CD2 3.81Å; Y283-Y311 HydrophobicContact CD1-CE1 4.19Å; Y283-Y311 AromaticContact CD1-CE2 3.46Å; Y283-Y311 HydrophobicContact CD1-CE2 3.46Å; Y283-Y311 VanDerWaalsContact CD1-CE2 3.46Å; Y283-Y311 HydrophobicContact CD1-CG 4.33Å; Y283-Y311 AromaticContact CD1-CZ 3.65Å; Y283-Y311 HydrophobicContact CE1-CD2 4.05Å; Y283-Y311 HydrophobicContact CE1-CE2 4.08Å; P284-Y311 WeakPolarHBondContact CD-OH 3.28Å; P284-Y311 PolarHBondContact O-OH 3.34Å; V286-Y311 HydrophobicContact CG2-CE1 4.21Å; V286-Y311 WeakPolarHBondContact CG2-OH 3.27Å; L309-Y311 VanDerWaalsContact C-N 3.29Å; L309-Y311 PolarHBondContact O-N 3.18Å; Y311-K313 PolarHBondContact O-N 3.47Å; Y311-K313 VanDerWaalsContact O-N 3.13Å; Y311-R315 HydrophobicContact CD1-CB 4.4Å; Y311-R315 HydrophobicContact CE1-CB 3.81Å; Y311-L316 HydrophobicContact CD1-CD1 4.02Å; Y311-L316 HydrophobicContact CD1-CD2 3.71Å; Y311-L316 HydrophobicContact CD1-CG 3.69Å; Y311-L316 HydrophobicContact CE1-CD2 4.04Å; Y311-L316 HydrophobicContact CE1-CG 4.29Å; Y311-L316 HydrophobicContact CG-CD1 4.49Å; Y311-L316 HydrophobicContact CG-CD2 4.45Å; Y311-L391 HydrophobicContact CD1-CD2 4.3Å; Y311-L391 HydrophobicContact CD2-CB 4.32Å; Y311-L391 HydrophobicContact CD2-CD2 4.02Å; Y311-L391 HydrophobicContact CD2-CG 3.71Å; Y311-L391 HydrophobicContact CE2-CG 4.19Å; Y311-L391 HydrophobicContact CG-CD2 3.84Å; Y311-L391 HydrophobicContact CG-CG 4.05Å; Y311-V395 HydrophobicContact CE2-CB 4.29Å; Y311-V395 HydrophobicContact CE2-CG1 4.46Å; Y311-V395 HydrophobicContact CE2-CG2 3.91Å
312	P	97	Very high	97.6	Very high	20 Å²	20	24.4 Å²	24.4	13%	0.13	14%	0.136	C	C	.	.			trans	-58.5	118.7	180	-25.4	34.1	0	0	0	112	I280 Y283 S314 R315	I280-P312 HydrophobicContact CD1-CB 3.91Å; I280-P312 HydrophobicContact CD1-CG 4.33Å; I280-P312 HydrophobicContact CG1-CB 3.83Å; I280-P312 HydrophobicContact CG1-CG 3.87Å; Y283-P312 VanDerWaalsContact CD1-CD 3.49Å; Y283-P312 HydrophobicContact CD1-CG 4.01Å; Y283-P312 HydrophobicContact CD2-CG 3.79Å; Y283-P312 HydrophobicContact CE1-CG 4.21Å; Y283-P312 HydrophobicContact CE2-CG 3.98Å; Y283-P312 HydrophobicContact CG-CG 3.78Å; P312-S314 PolarHBondContact O-N 3.1Å; P312-R315 HydrophobicContact CB-CB 4.34Å; P312-R315 HydrophobicContact CB-CG 4.02Å; P312-R315 WeakPolarHBondContact O-CA 3.1Å; P312-R315 WeakPolarHBondContact O-CB 2.86Å; P312-R315 PolarHBondContact O-N 3.31Å
313	K	97.1	Very high	97.4	Very high	50 Å²	50	25 Å²	25	22%	0.217	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-65.1	-29.2	-175.6	-67.5	79.8	-174.9	156.4	0	111.5	L309 Y311 R315 L316 Q343 Y344 F345	L309-K313 WeakPolarHBondContact O-CE 3.35Å; L309-K313 PolarHBondContact O-NZ 2.86Å; Y311-K313 PolarHBondContact O-N 3.47Å; Y311-K313 VanDerWaalsContact O-N 3.13Å; K313-R315 PolarHBondContact O-N 2.85Å; K313-R315 VanDerWaalsContact O-N 3.11Å; K313-L316 PolarHBondContact O-N 3.35Å; K313-Q343 CarbonylContact C-O 3.53Å; K313-Q343 HydrophobicContact CB-CB 4.21Å; K313-Q343 WeakPolarHBondContact CB-O 3.36Å; K313-Q343 HydrophobicContact CG-CB 4.39Å; K313-Y344 HydrophobicContact CB-CD1 4.16Å; K313-Y344 HydrophobicContact CB-CE1 4.46Å; K313-Y344 HydrophobicContact CB-CG 4.42Å; K313-Y344 HydrophobicContact CG-CD1 4.2Å; K313-Y344 HydrophobicContact CG-CE1 4Å; K313-Y344 CarbonylContact O-C 3.54Å; K313-Y344 WeakPolarHBondContact O-CA 3.15Å; K313-F345 PolarHBondContact O-N 2.76Å
314	S	95.5	Very high	97.2	Very high	60 Å²	60	31.7 Å²	31.7	42%	0.42	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-65.2	-4.5	169.1	59.3	0	0	0	0	114.6	P312 F345	P312-S314 PolarHBondContact O-N 3.1Å; S314-F345 VanDerWaalsContact O-CD2 3.27Å; S314-F345 WeakPolarHBondContact O-CD2 3.34Å
315	R	96.9	Very high	96.9	Very high	61 Å²	61	29.7 Å²	29.7	23%	0.23	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-115.8	13.2	174.3	-58.1	-65.2	-70.7	167.5	-8.3	112.1	Y283 V286 Y311 P312 K313	Y283-R315 PolarHBondContact O-NE 2.9Å; Y283-R315 PolarHBondContact O-NH2 3.06Å; V286-R315 PolarHBondContact N-O 3.3Å; Y311-R315 HydrophobicContact CD1-CB 4.4Å; Y311-R315 HydrophobicContact CE1-CB 3.81Å; P312-R315 HydrophobicContact CB-CB 4.34Å; P312-R315 HydrophobicContact CB-CG 4.02Å; P312-R315 WeakPolarHBondContact O-CA 3.1Å; P312-R315 WeakPolarHBondContact O-CB 2.86Å; P312-R315 PolarHBondContact O-N 3.31Å; K313-R315 PolarHBondContact O-N 2.85Å; K313-R315 VanDerWaalsContact O-N 3.11Å
316	L	97.7	Very high	96.7	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.1	-178.3	-68.3	173.7	0	0	0	112.1	V286 M288 Y311 K313 Y344 F345 L391	V286-L316 HydrophobicContact CB-CD2 3.82Å; V286-L316 HydrophobicContact CG1-CD2 4.17Å; V286-L316 WeakPolarHBondContact O-CA 3.46Å; M288-L316 HydrophobicContact CE-CD1 4.09Å; M288-L316 HydrophobicContact CE-CD2 4.44Å; Y311-L316 HydrophobicContact CD1-CD1 4.02Å; Y311-L316 HydrophobicContact CD1-CD2 3.71Å; Y311-L316 HydrophobicContact CD1-CG 3.69Å; Y311-L316 HydrophobicContact CE1-CD2 4.04Å; Y311-L316 HydrophobicContact CE1-CG 4.29Å; Y311-L316 HydrophobicContact CG-CD1 4.49Å; Y311-L316 HydrophobicContact CG-CD2 4.45Å; K313-L316 PolarHBondContact O-N 3.35Å; L316-Y344 HydrophobicContact CB-CD1 3.88Å; L316-Y344 HydrophobicContact CB-CE1 4.45Å; L316-Y344 HydrophobicContact CD1-CD1 4.29Å; L316-Y344 HydrophobicContact CD1-CE1 4.06Å; L316-F345 VanDerWaalsContact O-CB 3.27Å; L316-F345 WeakPolarHBondContact O-CB 3.23Å; L316-F345 PolarHBondContact O-N 3.3Å; L316-L391 HydrophobicContact CD1-CD2 4.43Å; L316-L391 HydrophobicContact CD2-CD2 3.65Å
317	H	98.3	Very high	96.4	Very high	10 Å²	10	31.8 Å²	31.8	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.6	157.6	-68.2	-96.6	0	0	0	108.4	V286 V287 M288 F345 S346 Y366	V286-H317 PolarHBondContact O-N 3.3Å; V287-H317 CarbonylContact C-O 3.56Å; V287-H317 WeakPolarHBondContact CA-O 3.31Å; V287-H317 HydrophobicContact CG2-CB 4.02Å; M288-H317 PolarHBondContact N-O 3.08Å; H317-F345 AromaticContact CE1-CD1 3.1Å; H317-F345 WeakPolarHBondContact CE1-CD1 3.35Å; H317-F345 AromaticContact CE1-CE1 3.43Å; H317-F345 VanDerWaalsContact CE1-CE1 3.43Å; H317-F345 WeakPolarHBondContact CE1-CE1 3.22Å; H317-F345 AromaticContact ND1-CD1 3.78Å; H317-F345 AromaticContact NE2-CD1 3.33Å; H317-F345 VanDerWaalsContact NE2-CD1 3.33Å; H317-F345 WeakPolarHBondContact NE2-CD1 3.26Å; H317-F345 AromaticContact NE2-CE1 3.63Å; H317-F345 AromaticContact NE2-CG 3.99Å; H317-S346 CarbonylContact C-O 3.55Å; H317-S346 PolarHBondContact ND1-OG 3.01Å; H317-Y366 HydrophobicContact CB-CE1 4.06Å; H317-Y366 AromaticContact ND1-CE1 4Å
318	V	98.4	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127	170.9	-178.8	0	0	0	0	108.7	M288 I290 Y344 S346 V347 N348	M288-V318 WeakPolarHBondContact O-CA 3.23Å; I290-V318 HydrophobicContact CD1-CG1 3.75Å; I290-V318 HydrophobicContact CG1-CG1 4.35Å; V318-Y344 HydrophobicContact CG2-CD1 3.45Å; V318-Y344 VanDerWaalsContact CG2-CD1 3.45Å; V318-Y344 HydrophobicContact CG2-CD2 4.41Å; V318-Y344 HydrophobicContact CG2-CE1 3.74Å; V318-Y344 HydrophobicContact CG2-CG 3.83Å; V318-S346 PolarHBondContact N-O 3.39Å; V318-V347 HydrophobicContact CB-CB 4.46Å; V318-V347 HydrophobicContact CB-CG1 4.24Å; V318-V347 HydrophobicContact CB-CG2 4.11Å; V318-V347 HydrophobicContact CG1-CG1 4.31Å; V318-V347 HydrophobicContact CG2-CG2 4.39Å; V318-V347 WeakPolarHBondContact O-CA 3.41Å; V318-N348 PolarHBondContact O-N 2.86Å
319	V	98.2	Very high	96	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.3	173.3	-173.8	0	0	0	0	108.5	V287 M288 G289 I290 N348 L350 V363 Y366	V287-V319 HydrophobicContact CG1-CB 4.42Å; V287-V319 HydrophobicContact CG1-CG2 3.91Å; M288-V319 PolarHBondContact O-N 3.21Å; G289-V319 CarbonylContact C-O 3.53Å; G289-V319 VanDerWaalsContact CA-O 3.29Å; G289-V319 WeakPolarHBondContact CA-O 3.38Å; I290-V319 PolarHBondContact N-O 2.76Å; V319-N348 CarbonylContact C-O 3.56Å; V319-N348 VanDerWaalsContact CA-O 3.24Å; V319-N348 WeakPolarHBondContact CA-O 3.45Å; V319-L350 HydrophobicContact CG1-CD2 3.83Å; V319-L350 HydrophobicContact CG1-CG 3.97Å; V319-V363 HydrophobicContact CB-CG2 4.28Å; V319-V363 HydrophobicContact CG1-CG2 3.89Å; V319-Y366 HydrophobicContact CG2-CD1 3.76Å; V319-Y366 HydrophobicContact CG2-CD2 4.22Å; V319-Y366 HydrophobicContact CG2-CE1 3.86Å; V319-Y366 HydrophobicContact CG2-CE2 4.33Å; V319-Y366 HydrophobicContact CG2-CG 3.95Å
320	G	97.7	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.7	-177.7	0	0	0	0	0	113.3	I290 N348 W349 L350	I290-G320 CarbonylContact O-C 3.57Å; I290-G320 WeakPolarHBondContact O-CA 3.45Å; G320-N348 PolarHBondContact N-O 3.35Å; G320-W349 VanDerWaalsContact CA-CE3 3.46Å; G320-W349 WeakPolarHBondContact O-CA 3.41Å; G320-L350 PolarHBondContact O-N 2.81Å
321	H	97.6	Very high	95.8	Very high	3 Å²	3	36 Å²	36	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.3	167	178.3	-107.6	0	0	0	110	I290 F291 I292 E293 L350 L354 A359	I290-H321 PolarHBondContact O-N 3.26Å; F291-H321 HydrophobicContact CD1-CB 4.12Å; F291-H321 HydrophobicContact CE1-CB 4.46Å; I292-H321 PolarHBondContact N-O 3.21Å; E293-H321 IonicContact OE1-CE1 2.73Å; E293-H321 IonicContact OE1-CG 3.05Å; E293-H321 IonicContact OE1-ND1 3.8Å; E293-H321 PolarHBondContact OE1-ND1 3.27Å; E293-H321 IonicContact OE2-CE1 3.4Å; E293-H321 PolarHBondContact OE2-CE1 3.37Å; E293-H321 IonicContact OE2-ND1 2.87Å; E293-H321 PolarHBondContact OE2-ND1 2.95Å; H321-L350 HydrophobicContact CB-CD1 4.26Å; H321-L354 PolarHBondContact NE2-O 2.8Å; H321-A359 HydrophobicContact CB-CB 3.9Å; H321-A359 VanDerWaalsContact CD2-CB 3.49Å; H321-A359 WeakPolarHBondContact CD2-CB 3.36Å; H321-A359 WeakPolarHBondContact ND1-CB 3.44Å
322	M	96.7	Very high	95.7	Very high	27 Å²	27	37.1 Å²	37.1	13%	0.133	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	115.2	178.6	-174.3	178.1	-74.7	0	0	109.5	I292 S326 R327 A333	I292-M322 HydrophobicContact CB-CB 4.39Å; I292-M322 HydrophobicContact CB-CG 4.2Å; I292-M322 HydrophobicContact CD1-CE 3.49Å; I292-M322 VanDerWaalsContact CD1-CE 3.49Å; I292-M322 HydrophobicContact CG2-CE 4.44Å; I292-M322 HydrophobicContact CG2-CG 4.28Å; I292-M322 CarbonylContact O-C 3.52Å; I292-M322 WeakPolarHBondContact O-CA 3.3Å; M322-S326 WeakPolarHBondContact CG-OG 3.01Å; M322-R327 HydrophobicContact SD-CG 4.45Å; M322-A333 HydrophobicContact CE-CB 3.89Å
323	A	95.5	Very high	95.6	Very high	14 Å²	14	36.3 Å²	36.3	12%	0.116	19%	0.192	C	C	.	.			trans	-65.9	152.9	177	0	0	0	0	0	111.3	I292 N325 S326 R327	I292-A323 PolarHBondContact O-N 2.91Å; A323-N325 VanDerWaalsContact C-N 3.25Å; A323-N325 WeakPolarHBondContact CB-OD1 3.24Å; A323-N325 PolarHBondContact O-N 2.72Å; A323-S326 PolarHBondContact N-OG 2.92Å; A323-S326 PolarHBondContact O-N 3.5Å; A323-S326 PolarHBondContact O-OG 2.85Å; A323-R327 PolarHBondContact O-N 3.39Å
324	E	93.1	Very high	95.5	Very high	146 Å²	146	39 Å²	39	68%	0.682	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-52.2	-43	-177.9	-172.7	-178.7	-179.3	0	0	112.9	S326 R327	E324-S326 PolarHBondContact O-N 3.36Å; E324-S326 VanDerWaalsContact O-N 3.09Å; E324-R327 PolarHBondContact O-N 3.01Å
325	N	90.9	Very high	95.6	Very high	78 Å²	78	39 Å²	39	42%	0.417	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-70	-2.1	-178.2	70.8	-9	0	0	0	115	E293 A323 F328 K503	E293-N325 PolarHBondContact O-ND2 3.16Å; E293-N325 PolarHBondContact O-OD1 2.99Å; E293-N325 VanDerWaalsContact O-OD1 3.1Å; A323-N325 VanDerWaalsContact C-N 3.25Å; A323-N325 WeakPolarHBondContact CB-OD1 3.24Å; A323-N325 PolarHBondContact O-N 2.72Å; N325-F328 VanDerWaalsContact O-CE1 3.28Å; N325-F328 WeakPolarHBondContact O-CE1 3.44Å; N325-K503 PolarHBondContact O-NZ 2.84Å
326	S	93.5	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-121.2	-3.5	-178.3	72.5	0	0	0	0	113.2	I292 Q294 M322 A323 E324 F328 Q329	I292-S326 PolarHBondContact O-OG 2.81Å; Q294-S326 WeakPolarHBondContact O-CB 3.25Å; M322-S326 WeakPolarHBondContact CG-OG 3.01Å; A323-S326 PolarHBondContact N-OG 2.92Å; A323-S326 PolarHBondContact O-N 3.5Å; A323-S326 PolarHBondContact O-OG 2.85Å; E324-S326 PolarHBondContact O-N 3.36Å; E324-S326 VanDerWaalsContact O-N 3.09Å; S326-F328 PolarHBondContact O-N 3.25Å; S326-Q329 PolarHBondContact O-N 3.45Å
327	R	92.7	Very high	95.6	Very high	72 Å²	72	39.1 Å²	39.1	27%	0.272	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.1	-23.1	-178.2	-73.2	-172.3	-174.3	-171	11.5	115.3	M322 A323 E324 Q329 S330 E352 N353	M322-R327 HydrophobicContact SD-CG 4.45Å; A323-R327 PolarHBondContact O-N 3.39Å; E324-R327 PolarHBondContact O-N 3.01Å; R327-Q329 PolarHBondContact O-N 3.45Å; R327-S330 VanDerWaalsContact O-CB 3.32Å; R327-S330 WeakPolarHBondContact O-CB 3.46Å; R327-S330 PolarHBondContact O-N 3.09Å; R327-S330 PolarHBondContact O-OG 3.37Å; R327-E352 IonicContact CZ-OE2 3.57Å; R327-E352 VanDerWaalsContact NH1-CD 3.28Å; R327-E352 IonicContact NH1-OE1 3.81Å; R327-E352 IonicContact NH1-OE2 3.96Å; R327-E352 PolarHBondContact NH1-OE2 2.72Å; R327-E352 VanDerWaalsContact NH2-CB 3.29Å; R327-E352 IonicContact NH2-OE2 3.09Å; R327-E352 PolarHBondContact NH2-OE2 3.33Å; R327-N353 PolarHBondContact NH2-OD1 2.79Å
328	F	92.5	Very high	95.5	Very high	92 Å²	92	45.8 Å²	45.8	40%	0.404	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.2	-11.9	173.4	68.9	-88.8	0	0	0	113	N325 S326 Y501 K503	N325-F328 VanDerWaalsContact O-CE1 3.28Å; N325-F328 WeakPolarHBondContact O-CE1 3.44Å; S326-F328 PolarHBondContact O-N 3.25Å; F328-Y501 HydrophobicContact CE2-CE1 4.1Å; F328-Y501 HydrophobicContact CZ-CD1 4.42Å; F328-Y501 AromaticContact CZ-CE1 3.94Å; F328-Y501 HydrophobicContact CZ-CE1 3.94Å; F328-K503 HydrophobicContact CE1-CD 3.9Å; F328-K503 HydrophobicContact CE1-CG 4.22Å; F328-K503 HydrophobicContact CZ-CD 4.11Å; F328-K503 HydrophobicContact CZ-CG 3.94Å
329	Q	94.4	Very high	95.5	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.051	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-103	9.7	174.5	-53.4	-174.7	-77.3	0	0	113.4	T296 I299 S326 R327 A331 V332 Y501	T296-Q329 PolarHBondContact O-NE2 3.35Å; I299-Q329 HydrophobicContact CD1-CB 3.98Å; I299-Q329 HydrophobicContact CG2-CB 4.39Å; S326-Q329 PolarHBondContact O-N 3.45Å; R327-Q329 PolarHBondContact O-N 3.45Å; Q329-A331 VanDerWaalsContact C-N 3.25Å; Q329-A331 PolarHBondContact O-N 3.22Å; Q329-V332 PolarHBondContact O-N 3.18Å; Q329-V332 VanDerWaalsContact O-N 3.16Å; Q329-Y501 PolarHBondContact NE2-OH 3.32Å
330	S	94.8	Very high	95.4	Very high	44 Å²	44	52 Å²	52	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-34.6	-176.7	73.2	0	0	0	0	113.4	R327 V332 A333 E334	R327-S330 VanDerWaalsContact O-CB 3.32Å; R327-S330 WeakPolarHBondContact O-CB 3.46Å; R327-S330 PolarHBondContact O-N 3.09Å; R327-S330 PolarHBondContact O-OG 3.37Å; S330-V332 PolarHBondContact O-N 2.89Å; S330-V332 VanDerWaalsContact O-N 3.15Å; S330-A333 WeakPolarHBondContact O-CB 3.38Å; S330-A333 PolarHBondContact O-N 3.18Å; S330-E334 WeakPolarHBondContact O-CG 3.36Å; S330-E334 PolarHBondContact O-N 3.26Å; S330-E334 PolarHBondContact OG-OE1 3.41Å
331	A	95.2	Very high	95.3	Very high	65 Å²	65	52.4 Å²	52.4	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-56	-33	178.9	0	0	0	0	0	112.8	Q329 S335	Q329-A331 VanDerWaalsContact C-N 3.25Å; Q329-A331 PolarHBondContact O-N 3.22Å; A331-S335 WeakPolarHBondContact O-CB 3.25Å; A331-S335 PolarHBondContact O-N 3.31Å
332	V	95.3	Very high	95.3	Very high	23 Å²	23	59.3 Å²	59.3	14%	0.139	31%	0.311	C	S	.	.	H	α-helix	trans	-71.8	-41.8	177.9	-174.8	0	0	0	0	110.7	I299 E300 F303 Q329 S330 S335 F336	I299-V332 HydrophobicContact CG2-CB 4.21Å; I299-V332 HydrophobicContact CG2-CG1 4.18Å; I299-V332 HydrophobicContact CG2-CG2 3.92Å; E300-V332 HydrophobicContact CB-CG1 4.31Å; E300-V332 HydrophobicContact CG-CG1 3.85Å; E300-V332 HydrophobicContact CG-CG2 4.08Å; E300-V332 WeakPolarHBondContact OE1-CG2 3.38Å; F303-V332 HydrophobicContact CD2-CG1 3.66Å; F303-V332 HydrophobicContact CE2-CG1 4.18Å; Q329-V332 PolarHBondContact O-N 3.18Å; Q329-V332 VanDerWaalsContact O-N 3.16Å; S330-V332 PolarHBondContact O-N 2.89Å; S330-V332 VanDerWaalsContact O-N 3.15Å; V332-S335 WeakPolarHBondContact O-CB 3.4Å; V332-S335 PolarHBondContact O-N 3.04Å; V332-F336 PolarHBondContact O-N 2.9Å
333	A	95.3	Very high	95.3	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-38.4	177.7	0	0	0	0	0	111.8	F303 M322 S330 F336 N337 W349	F303-A333 HydrophobicContact CE2-CB 4.05Å; F303-A333 HydrophobicContact CZ-CB 3.74Å; M322-A333 HydrophobicContact CE-CB 3.89Å; S330-A333 WeakPolarHBondContact O-CB 3.38Å; S330-A333 PolarHBondContact O-N 3.18Å; A333-F336 PolarHBondContact O-N 3.36Å; A333-N337 PolarHBondContact O-N 2.88Å; A333-W349 HydrophobicContact CB-CH2 3.64Å; A333-W349 HydrophobicContact CB-CZ2 3.58Å; A333-W349 HydrophobicContact CB-CZ3 4.45Å
334	E	96.4	Very high	95.4	Very high	105 Å²	105	62.2 Å²	62.2	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-44.2	172.2	-70.9	168.5	-151.6	0	0	111.4	S330 F336 N337 Q338	S330-E334 WeakPolarHBondContact O-CG 3.36Å; S330-E334 PolarHBondContact O-N 3.26Å; S330-E334 PolarHBondContact OG-OE1 3.41Å; E334-F336 PolarHBondContact O-N 3.38Å; E334-N337 PolarHBondContact O-N 3.5Å; E334-Q338 VanDerWaalsContact O-CG 3.3Å; E334-Q338 WeakPolarHBondContact O-CG 3.46Å; E334-Q338 PolarHBondContact O-N 3.35Å
335	S	97	Very high	95.6	Very high	61 Å²	61	61.1 Å²	61.1	43%	0.427	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-43.5	175.8	-175.9	0	0	0	0	112.1	A331 V332 N337 Q338 T339	A331-S335 WeakPolarHBondContact O-CB 3.25Å; A331-S335 PolarHBondContact O-N 3.31Å; V332-S335 WeakPolarHBondContact O-CB 3.4Å; V332-S335 PolarHBondContact O-N 3.04Å; S335-N337 PolarHBondContact O-N 3.26Å; S335-Q338 PolarHBondContact O-N 3.31Å; S335-T339 VanDerWaalsContact O-CB 3.25Å; S335-T339 WeakPolarHBondContact O-CB 3.38Å; S335-T339 PolarHBondContact O-N 3.42Å; S335-T339 PolarHBondContact O-OG1 3.2Å
336	F	97.2	Very high	95.9	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-47.3	172.9	167.8	-96.8	0	0	0	111.6	F303 I306 A307 V332 A333 E334 Q338 T339 F340 Y344	F303-F336 HydrophobicContact CB-CB 4.09Å; F303-F336 HydrophobicContact CB-CD2 3.92Å; F303-F336 HydrophobicContact CB-CG 4.23Å; F303-F336 HydrophobicContact CD1-CB 3.64Å; F303-F336 AromaticContact CD1-CD1 3.76Å; F303-F336 HydrophobicContact CD1-CD1 3.76Å; F303-F336 AromaticContact CD1-CD2 3.61Å; F303-F336 HydrophobicContact CD1-CD2 3.61Å; F303-F336 HydrophobicContact CD1-CE1 4.32Å; F303-F336 HydrophobicContact CD1-CE2 4.18Å; F303-F336 AromaticContact CD1-CG 3.37Å; F303-F336 HydrophobicContact CD1-CG 3.37Å; F303-F336 HydrophobicContact CE1-CB 4.16Å; F303-F336 AromaticContact CE1-CD1 3.9Å; F303-F336 HydrophobicContact CE1-CD1 3.9Å; F303-F336 HydrophobicContact CE1-CE1 4.46Å; F303-F336 AromaticContact CE1-CG 3.94Å; F303-F336 HydrophobicContact CE1-CG 3.94Å; F303-F336 HydrophobicContact CG-CB 3.88Å; F303-F336 HydrophobicContact CG-CD2 4.16Å; F303-F336 HydrophobicContact CG-CG 4.03Å; I306-F336 HydrophobicContact CB-CE2 4.46Å; I306-F336 HydrophobicContact CG2-CE2 3.96Å; I306-F336 HydrophobicContact CG2-CZ 3.86Å; A307-F336 HydrophobicContact CB-CE2 4.19Å; V332-F336 PolarHBondContact O-N 2.9Å; A333-F336 PolarHBondContact O-N 3.36Å; E334-F336 PolarHBondContact O-N 3.38Å; F336-Q338 PolarHBondContact O-N 3.29Å; F336-T339 PolarHBondContact O-N 3.09Å; F336-F340 HydrophobicContact CD2-CB 4.34Å; F336-F340 AromaticContact CD2-CD2 3.72Å; F336-F340 HydrophobicContact CD2-CD2 3.72Å; F336-F340 HydrophobicContact CD2-CG 4.43Å; F336-F340 HydrophobicContact CE2-CB 4.14Å; F336-F340 HydrophobicContact CE2-CD2 4.14Å; F336-F340 HydrophobicContact CE2-CG 4.46Å; F336-F340 PolarHBondContact O-N 3.5Å; F336-Y344 HydrophobicContact CE1-CE2 4.41Å; F336-Y344 HydrophobicContact CE2-CE2 4.17Å; F336-Y344 AromaticContact CZ-CE2 3.59Å; F336-Y344 HydrophobicContact CZ-CE2 3.59Å; F336-Y344 AromaticContact CZ-CZ 3.78Å
337	N	96.2	Very high	96.1	Very high	61 Å²	61	59.8 Å²	59.8	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-43.4	180	-171.4	29.6	0	0	0	112	A333 E334 S335 T339 G341 V347	A333-N337 PolarHBondContact O-N 2.88Å; E334-N337 PolarHBondContact O-N 3.5Å; S335-N337 PolarHBondContact O-N 3.26Å; N337-T339 PolarHBondContact O-N 2.94Å; N337-G341 WeakPolarHBondContact O-CA 3.2Å; N337-G341 PolarHBondContact O-N 3.19Å; N337-V347 WeakPolarHBondContact OD1-CG1 3.43Å
338	Q	97.2	Very high	96.3	Very high	151 Å²	151	59.7 Å²	59.7	71%	0.706	32%	0.315	S	S	*	.	H	α-helix	trans	-64.4	-40.2	177.3	-70.8	172.2	10.5	0	0	112	E334 S335 F336	E334-Q338 VanDerWaalsContact O-CG 3.3Å; E334-Q338 WeakPolarHBondContact O-CG 3.46Å; E334-Q338 PolarHBondContact O-N 3.35Å; S335-Q338 PolarHBondContact O-N 3.31Å; F336-Q338 PolarHBondContact O-N 3.29Å
339	T	97.3	Very high	96.5	Very high	69 Å²	69	59.3 Å²	59.3	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-80.7	-44.8	-174.1	-53.9	0	0	0	0	112.4	S335 F336 N337 H342	S335-T339 VanDerWaalsContact O-CB 3.25Å; S335-T339 WeakPolarHBondContact O-CB 3.38Å; S335-T339 PolarHBondContact O-N 3.42Å; S335-T339 PolarHBondContact O-OG1 3.2Å; F336-T339 PolarHBondContact O-N 3.09Å; N337-T339 PolarHBondContact O-N 2.94Å; T339-H342 PolarHBondContact O-CE1 2.88Å; T339-H342 PolarHBondContact O-ND1 3.44Å
340	F	97	Very high	96.6	Very high	61 Å²	61	60.7 Å²	60.7	27%	0.268	32%	0.319	S	S	.	.	H	α-helix	trans	-117	-16.3	-170.7	-58.7	-72.7	0	0	0	114	A307 F336 H342 Q343 Y344	A307-F340 HydrophobicContact CB-CD1 3.85Å; A307-F340 HydrophobicContact CB-CD2 3.77Å; A307-F340 HydrophobicContact CB-CE1 3.86Å; A307-F340 HydrophobicContact CB-CE2 3.77Å; A307-F340 HydrophobicContact CB-CG 3.81Å; A307-F340 HydrophobicContact CB-CZ 3.82Å; F336-F340 HydrophobicContact CD2-CB 4.34Å; F336-F340 AromaticContact CD2-CD2 3.72Å; F336-F340 HydrophobicContact CD2-CD2 3.72Å; F336-F340 HydrophobicContact CD2-CG 4.43Å; F336-F340 HydrophobicContact CE2-CB 4.14Å; F336-F340 HydrophobicContact CE2-CD2 4.14Å; F336-F340 HydrophobicContact CE2-CG 4.46Å; F336-F340 PolarHBondContact O-N 3.5Å; F340-H342 PolarHBondContact O-N 2.91Å; F340-H342 VanDerWaalsContact O-N 3.08Å; F340-Q343 WeakPolarHBondContact O-CB 3.37Å; F340-Q343 PolarHBondContact O-N 3.41Å; F340-Y344 HydrophobicContact CB-CE2 4Å; F340-Y344 WeakPolarHBondContact O-CD2 3.25Å
341	G	96.5	Very high	96.4	Very high	9 Å²	9	64.5 Å²	64.5	9%	0.093	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57	-33.2	-170.1	0	0	0	0	0	114.4	N337 Q343 Y344	N337-G341 WeakPolarHBondContact O-CA 3.2Å; N337-G341 PolarHBondContact O-N 3.19Å; G341-Q343 PolarHBondContact O-N 2.94Å; G341-Y344 PolarHBondContact O-N 3.24Å
342	H	96.8	Very high	96	Very high	148 Å²	148	67.8 Å²	67.8	69%	0.685	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-66.8	-13.7	177.3	68.9	-89.5	0	0	0	114.7	T339 F340	T339-H342 PolarHBondContact O-CE1 2.88Å; T339-H342 PolarHBondContact O-ND1 3.44Å; F340-H342 PolarHBondContact O-N 2.91Å; F340-H342 VanDerWaalsContact O-N 3.08Å
343	Q	97.3	Very high	95.6	Very high	87 Å²	87	72.2 Å²	72.2	41%	0.407	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-87.2	-26.5	178.8	-56.3	-179	21.7	0	0	112.3	K313 F340 G341	K313-Q343 CarbonylContact C-O 3.53Å; K313-Q343 HydrophobicContact CB-CB 4.21Å; K313-Q343 WeakPolarHBondContact CB-O 3.36Å; K313-Q343 HydrophobicContact CG-CB 4.39Å; F340-Q343 WeakPolarHBondContact O-CB 3.37Å; F340-Q343 PolarHBondContact O-N 3.41Å; G341-Q343 PolarHBondContact O-N 2.94Å
344	Y	97.7	Very high	95.5	Very high	15 Å²	15	73.4 Å²	73.4	6%	0.059	36%	0.364	C	S	.	.	S	Bend	trans	-79.6	155.8	-179.9	-65.1	-88.8	0	0	0	110.9	I306 A307 K313 L316 V318 F336 F340 G341 S346 V347	I306-Y344 PolarHBondContact O-OH 2.94Å; A307-Y344 WeakPolarHBondContact CA-OH 3.49Å; K313-Y344 HydrophobicContact CB-CD1 4.16Å; K313-Y344 HydrophobicContact CB-CE1 4.46Å; K313-Y344 HydrophobicContact CB-CG 4.42Å; K313-Y344 HydrophobicContact CG-CD1 4.2Å; K313-Y344 HydrophobicContact CG-CE1 4Å; K313-Y344 CarbonylContact O-C 3.54Å; K313-Y344 WeakPolarHBondContact O-CA 3.15Å; L316-Y344 HydrophobicContact CB-CD1 3.88Å; L316-Y344 HydrophobicContact CB-CE1 4.45Å; L316-Y344 HydrophobicContact CD1-CD1 4.29Å; L316-Y344 HydrophobicContact CD1-CE1 4.06Å; V318-Y344 HydrophobicContact CG2-CD1 3.45Å; V318-Y344 VanDerWaalsContact CG2-CD1 3.45Å; V318-Y344 HydrophobicContact CG2-CD2 4.41Å; V318-Y344 HydrophobicContact CG2-CE1 3.74Å; V318-Y344 HydrophobicContact CG2-CG 3.83Å; F336-Y344 HydrophobicContact CE1-CE2 4.41Å; F336-Y344 HydrophobicContact CE2-CE2 4.17Å; F336-Y344 AromaticContact CZ-CE2 3.59Å; F336-Y344 HydrophobicContact CZ-CE2 3.59Å; F336-Y344 AromaticContact CZ-CZ 3.78Å; F340-Y344 HydrophobicContact CB-CE2 4Å; F340-Y344 WeakPolarHBondContact O-CD2 3.25Å; G341-Y344 PolarHBondContact O-N 3.24Å; Y344-S346 PolarHBondContact O-N 3.41Å; Y344-V347 HydrophobicContact CD2-CG2 4.08Å; Y344-V347 HydrophobicContact CG-CG2 4.19Å
345	F	96.5	Very high	95.3	Very high	124 Å²	124	72.5 Å²	72.5	54%	0.544	36%	0.363	S	S	.	.	S	Bend	trans	-59.6	-39.8	176.3	-167.5	-77.9	0	0	0	111.3	K313 S314 L316 H317	K313-F345 PolarHBondContact O-N 2.76Å; S314-F345 VanDerWaalsContact O-CD2 3.27Å; S314-F345 WeakPolarHBondContact O-CD2 3.34Å; L316-F345 VanDerWaalsContact O-CB 3.27Å; L316-F345 WeakPolarHBondContact O-CB 3.23Å; L316-F345 PolarHBondContact O-N 3.3Å; H317-F345 AromaticContact CE1-CD1 3.1Å; H317-F345 WeakPolarHBondContact CE1-CD1 3.35Å; H317-F345 AromaticContact CE1-CE1 3.43Å; H317-F345 VanDerWaalsContact CE1-CE1 3.43Å; H317-F345 WeakPolarHBondContact CE1-CE1 3.22Å; H317-F345 AromaticContact ND1-CD1 3.78Å; H317-F345 AromaticContact NE2-CD1 3.33Å; H317-F345 VanDerWaalsContact NE2-CD1 3.33Å; H317-F345 WeakPolarHBondContact NE2-CD1 3.26Å; H317-F345 AromaticContact NE2-CE1 3.63Å; H317-F345 AromaticContact NE2-CG 3.99Å
346	S	97.3	Very high	95.1	Very high	26 Å²	26	73.3 Å²	73.3	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	152.7	165	73.2	0	0	0	0	110.5	H317 V318 Y344 N348	H317-S346 CarbonylContact C-O 3.55Å; H317-S346 PolarHBondContact ND1-OG 3.01Å; V318-S346 PolarHBondContact N-O 3.39Å; Y344-S346 PolarHBondContact O-N 3.41Å; S346-N348 PolarHBondContact OG-ND2 2.62Å
347	V	97.7	Very high	94.7	Very high	24 Å²	24	76 Å²	76	15%	0.145	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.5	167.7	-176.5	0	0	0	0	108.7	V318 N337 Y344	V318-V347 HydrophobicContact CB-CB 4.46Å; V318-V347 HydrophobicContact CB-CG1 4.24Å; V318-V347 HydrophobicContact CB-CG2 4.11Å; V318-V347 HydrophobicContact CG1-CG1 4.31Å; V318-V347 HydrophobicContact CG2-CG2 4.39Å; V318-V347 WeakPolarHBondContact O-CA 3.41Å; N337-V347 WeakPolarHBondContact OD1-CG1 3.43Å; Y344-V347 HydrophobicContact CD2-CG2 4.08Å; Y344-V347 HydrophobicContact CG-CG2 4.19Å
348	N	96.4	Very high	94.6	Very high	70 Å²	70	74.3 Å²	74.3	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.6	178.3	-62.5	-65.9	0	0	0	110	V318 V319 G320 S346 Y366	V318-N348 PolarHBondContact O-N 2.86Å; V319-N348 CarbonylContact C-O 3.56Å; V319-N348 VanDerWaalsContact CA-O 3.24Å; V319-N348 WeakPolarHBondContact CA-O 3.45Å; G320-N348 PolarHBondContact N-O 3.35Å; S346-N348 PolarHBondContact OG-ND2 2.62Å; N348-Y366 PolarHBondContact ND2-OH 3.2Å; N348-Y366 VanDerWaalsContact ND2-OH 3.12Å
349	W	96.6	Very high	94.5	Very high	84 Å²	84	67.1 Å²	67.1	32%	0.318	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.8	172.6	-70.6	87.5	0	0	0	109	I292 F303 G320 A333	I292-W349 HydrophobicContact CD1-CH2 4.1Å; I292-W349 HydrophobicContact CD1-CZ3 4.27Å; F303-W349 HydrophobicContact CE1-CH2 4.48Å; F303-W349 HydrophobicContact CZ-CH2 4.1Å; F303-W349 HydrophobicContact CZ-CZ2 4.43Å; G320-W349 VanDerWaalsContact CA-CE3 3.46Å; G320-W349 WeakPolarHBondContact O-CA 3.41Å; A333-W349 HydrophobicContact CB-CH2 3.64Å; A333-W349 HydrophobicContact CB-CZ2 3.58Å; A333-W349 HydrophobicContact CB-CZ3 4.45Å
350	L	96.5	Very high	94.3	Very high	40 Å²	40	64.4 Å²	64.4	21%	0.209	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-68.2	162.9	177.7	-65.1	-175.4	0	0	0	111.4	V319 G320 H321 L354 A359 K362 V363	V319-L350 HydrophobicContact CG1-CD2 3.83Å; V319-L350 HydrophobicContact CG1-CG 3.97Å; G320-L350 PolarHBondContact O-N 2.81Å; H321-L350 HydrophobicContact CB-CD1 4.26Å; L350-L354 HydrophobicContact CB-CD1 3.99Å; L350-L354 HydrophobicContact CD1-CD1 4.29Å; L350-A359 HydrophobicContact CD1-CB 4.09Å; L350-K362 HydrophobicContact CD1-CB 3.9Å; L350-K362 HydrophobicContact CD2-CB 4.19Å; L350-K362 HydrophobicContact CD2-CD 4.43Å; L350-V363 HydrophobicContact CD1-CG2 4.08Å
351	E	91.4	Very high	94.2	Very high	124 Å²	124	66.7 Å²	66.7	58%	0.579	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-54.6	147.7	175.7	-61.4	147.8	-129.5	0	0	112.1	L354 K362	E351-L354 HydrophobicContact CB-CD1 4.3Å; E351-L354 HydrophobicContact CB-CG 4.44Å; E351-L354 WeakPolarHBondContact O-CG 3.37Å; E351-K362 IonicContact OE1-NZ 2.72Å; E351-K362 PolarHBondContact OE1-NZ 2.78Å; E351-K362 IonicContact OE2-NZ 3.28Å; E351-K362 PolarHBondContact OE2-NZ 3.16Å
352	E	86.8	Confident	94.1	Very high	134 Å²	134	69.4 Å²	69.4	63%	0.626	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	150.4	171.6	-75.4	-173.5	-161.7	0	0	112.5	R327	R327-E352 IonicContact CZ-OE2 3.57Å; R327-E352 VanDerWaalsContact NH1-CD 3.28Å; R327-E352 IonicContact NH1-OE1 3.81Å; R327-E352 IonicContact NH1-OE2 3.96Å; R327-E352 PolarHBondContact NH1-OE2 2.72Å; R327-E352 VanDerWaalsContact NH2-CB 3.29Å; R327-E352 IonicContact NH2-OE2 3.09Å; R327-E352 PolarHBondContact NH2-OE2 3.33Å
353	N	86.5	Confident	94.1	Very high	115 Å²	115	62.4 Å²	62.4	62%	0.615	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	25.7	173.7	-47	-42.3	0	0	0	115.6	R327	R327-N353 PolarHBondContact NH2-OD1 2.79Å
354	L	92.9	Very high	94	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.157	28%	0.277	C	S	.	.			trans	-81.7	142.4	167.2	-58.5	174.6	0	0	0	109.9	H321 L350 E351 T358 A359 K362	H321-L354 PolarHBondContact NE2-O 2.8Å; L350-L354 HydrophobicContact CB-CD1 3.99Å; L350-L354 HydrophobicContact CD1-CD1 4.29Å; E351-L354 HydrophobicContact CB-CD1 4.3Å; E351-L354 HydrophobicContact CB-CG 4.44Å; E351-L354 WeakPolarHBondContact O-CG 3.37Å; L354-T358 HydrophobicContact CD2-CG2 3.99Å; L354-A359 HydrophobicContact CB-CB 4.45Å; L354-K362 HydrophobicContact CD1-CD 3.81Å
355	D	92.1	Very high	93.9	Very high	85 Å²	85	59 Å²	59	46%	0.455	29%	0.289	S	S	.	.			trans	-72	154.8	162.7	65.1	89.9	0	0	0	110.1	E357 T358 A359	D355-E357 PolarHBondContact O-N 3.2Å; D355-E357 WeakPolarHBondContact OD1-CA 3.35Å; D355-E357 WeakPolarHBondContact OD1-CB 3.37Å; D355-E357 PolarHBondContact OD1-N 2.73Å; D355-E357 VanDerWaalsContact OD1-N 3.16Å; D355-T358 PolarHBondContact O-N 3.34Å; D355-T358 PolarHBondContact OD1-N 2.89Å; D355-T358 PolarHBondContact OD1-OG1 2.79Å; D355-T358 VanDerWaalsContact OD2-CB 3.29Å; D355-T358 WeakPolarHBondContact OD2-CB 3.41Å; D355-T358 PolarHBondContact OD2-OG1 2.88Å; D355-A359 WeakPolarHBondContact O-CB 3.24Å; D355-A359 PolarHBondContact O-N 2.79Å
356	E	92.3	Very high	93.9	Very high	79 Å²	79	56.4 Å²	56.4	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-54	-40.2	-178.1	-179.1	-177.4	166.2	0	0	112.3	E293 A359 R360	E293-E356 HydrophobicContact CG-CB 4.32Å; E293-E356 HydrophobicContact CG-CG 3.78Å; E356-A359 PolarHBondContact O-N 2.85Å; E356-R360 HydrophobicContact CG-CG 4.38Å; E356-R360 WeakPolarHBondContact O-CG 3.49Å; E356-R360 PolarHBondContact O-N 3.07Å; E356-R360 IonicContact OE1-CZ 3.44Å; E356-R360 IonicContact OE1-NE 3.11Å; E356-R360 PolarHBondContact OE1-NE 3.16Å; E356-R360 IonicContact OE1-NH2 2.86Å; E356-R360 PolarHBondContact OE1-NH2 3.46Å
357	E	90.8	Very high	93.9	Very high	60 Å²	60	55.1 Å²	55.1	28%	0.28	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-48.9	-177.9	-168.3	-173.1	132.2	0	0	111	D355 R361 S467 N468	D355-E357 PolarHBondContact O-N 3.2Å; D355-E357 WeakPolarHBondContact OD1-CA 3.35Å; D355-E357 WeakPolarHBondContact OD1-CB 3.37Å; D355-E357 PolarHBondContact OD1-N 2.73Å; D355-E357 VanDerWaalsContact OD1-N 3.16Å; E357-R361 WeakPolarHBondContact O-CB 3.3Å; E357-R361 PolarHBondContact O-N 3.21Å; E357-R361 VanDerWaalsContact O-N 3.07Å; E357-S467 WeakPolarHBondContact OE1-CA 3.46Å; E357-S467 WeakPolarHBondContact OE1-CB 3.32Å; E357-S467 PolarHBondContact OE1-OG 3.34Å; E357-S467 PolarHBondContact OE2-OG 2.89Å; E357-N468 VanDerWaalsContact CD-N 3.29Å; E357-N468 HydrophobicContact CG-CB 3.57Å; E357-N468 PolarHBondContact OE1-N 3.45Å
358	T	92.6	Very high	93.9	Very high	26 Å²	26	56.1 Å²	56.1	16%	0.16	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-40.8	176.2	-64.1	0	0	0	0	111.3	L354 D355 R361 K362	L354-T358 HydrophobicContact CD2-CG2 3.99Å; D355-T358 PolarHBondContact O-N 3.34Å; D355-T358 PolarHBondContact OD1-N 2.89Å; D355-T358 PolarHBondContact OD1-OG1 2.79Å; D355-T358 VanDerWaalsContact OD2-CB 3.29Å; D355-T358 WeakPolarHBondContact OD2-CB 3.41Å; D355-T358 PolarHBondContact OD2-OG1 2.88Å; T358-R361 PolarHBondContact O-N 3Å; T358-K362 WeakPolarHBondContact O-CG 3.47Å; T358-K362 PolarHBondContact O-N 3.39Å
359	A	94.6	Very high	93.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-50.7	177.5	0	0	0	0	0	112.1	F291 H321 L350 L354 D355 E356 R361 K362 V363	F291-A359 HydrophobicContact CE1-CB 4.42Å; H321-A359 HydrophobicContact CB-CB 3.9Å; H321-A359 VanDerWaalsContact CD2-CB 3.49Å; H321-A359 WeakPolarHBondContact CD2-CB 3.36Å; H321-A359 WeakPolarHBondContact ND1-CB 3.44Å; L350-A359 HydrophobicContact CD1-CB 4.09Å; L354-A359 HydrophobicContact CB-CB 4.45Å; D355-A359 WeakPolarHBondContact O-CB 3.24Å; D355-A359 PolarHBondContact O-N 2.79Å; E356-A359 PolarHBondContact O-N 2.85Å; A359-R361 VanDerWaalsContact C-N 3.3Å; A359-R361 PolarHBondContact O-N 3.38Å; A359-K362 PolarHBondContact O-N 3.08Å; A359-K362 VanDerWaalsContact O-N 3.11Å; A359-V363 PolarHBondContact O-N 3.14Å
360	R	94.7	Very high	93.9	Very high	11 Å²	11	54.9 Å²	54.9	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176.2	-71.4	-176.4	-173.5	-79.6	6.1	111.6	F291 E356 K362 V363 F364 D380 N468	F291-R360 HydrophobicContact CD1-CG 3.91Å; F291-R360 VanDerWaalsContact CD2-NH1 3.35Å; F291-R360 HydrophobicContact CE1-CB 4.13Å; F291-R360 HydrophobicContact CE1-CG 3.45Å; F291-R360 VanDerWaalsContact CE1-CG 3.45Å; F291-R360 HydrophobicContact CE2-CG 4.26Å; F291-R360 HydrophobicContact CZ-CB 4.19Å; F291-R360 HydrophobicContact CZ-CG 3.64Å; E356-R360 HydrophobicContact CG-CG 4.38Å; E356-R360 WeakPolarHBondContact O-CG 3.49Å; E356-R360 PolarHBondContact O-N 3.07Å; E356-R360 IonicContact OE1-CZ 3.44Å; E356-R360 IonicContact OE1-NE 3.11Å; E356-R360 PolarHBondContact OE1-NE 3.16Å; E356-R360 IonicContact OE1-NH2 2.86Å; E356-R360 PolarHBondContact OE1-NH2 3.46Å; R360-K362 PolarHBondContact O-N 3.32Å; R360-V363 PolarHBondContact O-N 3.02Å; R360-F364 WeakPolarHBondContact O-CG 3.27Å; R360-F364 PolarHBondContact O-N 3.36Å; R360-D380 IonicContact CZ-OD1 3.33Å; R360-D380 VanDerWaalsContact CZ-OD1 3.31Å; R360-D380 IonicContact NH1-OD1 3.88Å; R360-D380 PolarHBondContact NH1-OD1 3.22Å; R360-D380 VanDerWaalsContact NH2-CG 3.26Å; R360-D380 IonicContact NH2-OD1 3.83Å; R360-D380 PolarHBondContact NH2-OD1 3.17Å; R360-D380 IonicContact NH2-OD2 3.94Å; R360-D380 PolarHBondContact NH2-OD2 3.41Å; R360-D380 VanDerWaalsContact NH2-OD2 3.13Å; R360-N468 HydrophobicContact CB-CB 4.44Å
361	R	94	Very high	93.7	Very high	110 Å²	110	61.1 Å²	61.1	42%	0.415	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.6	-170.4	174.4	53.6	-169.1	-10.3	112.4	E357 T358 A359 F364 G365 I464 N468	E357-R361 WeakPolarHBondContact O-CB 3.3Å; E357-R361 PolarHBondContact O-N 3.21Å; E357-R361 VanDerWaalsContact O-N 3.07Å; T358-R361 PolarHBondContact O-N 3Å; A359-R361 VanDerWaalsContact C-N 3.3Å; A359-R361 PolarHBondContact O-N 3.38Å; R361-F364 PolarHBondContact O-N 2.85Å; R361-G365 PolarHBondContact O-N 2.83Å; R361-I464 HydrophobicContact CG-CD1 3.94Å; R361-N468 WeakPolarHBondContact CA-ND2 3.25Å; R361-N468 WeakPolarHBondContact CB-ND2 3.42Å; R361-N468 PolarHBondContact N-ND2 3.48Å
362	K	95.1	Very high	93.8	Very high	66 Å²	66	60.1 Å²	60.1	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-41.1	177.1	-78.1	-168.6	-178.9	-178	0	111.6	L350 E351 L354 T358 A359 R360 F364 G365 Y366	L350-K362 HydrophobicContact CD1-CB 3.9Å; L350-K362 HydrophobicContact CD2-CB 4.19Å; L350-K362 HydrophobicContact CD2-CD 4.43Å; E351-K362 IonicContact OE1-NZ 2.72Å; E351-K362 PolarHBondContact OE1-NZ 2.78Å; E351-K362 IonicContact OE2-NZ 3.28Å; E351-K362 PolarHBondContact OE2-NZ 3.16Å; L354-K362 HydrophobicContact CD1-CD 3.81Å; T358-K362 WeakPolarHBondContact O-CG 3.47Å; T358-K362 PolarHBondContact O-N 3.39Å; A359-K362 PolarHBondContact O-N 3.08Å; A359-K362 VanDerWaalsContact O-N 3.11Å; R360-K362 PolarHBondContact O-N 3.32Å; K362-F364 PolarHBondContact O-N 2.88Å; K362-G365 PolarHBondContact O-N 3.15Å; K362-Y366 WeakPolarHBondContact O-CB 3.4Å; K362-Y366 PolarHBondContact O-N 3.46Å
363	V	96.1	Very high	94.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-44.4	174.2	175.1	0	0	0	0	111.2	V287 F291 V319 L350 A359 R360 Y366 C367 V376	V287-V363 HydrophobicContact CG1-CG1 4.02Å; F291-V363 HydrophobicContact CE1-CG2 3.9Å; F291-V363 HydrophobicContact CZ-CB 3.97Å; F291-V363 HydrophobicContact CZ-CG1 4.27Å; F291-V363 HydrophobicContact CZ-CG2 3.64Å; V319-V363 HydrophobicContact CB-CG2 4.28Å; V319-V363 HydrophobicContact CG1-CG2 3.89Å; L350-V363 HydrophobicContact CD1-CG2 4.08Å; A359-V363 PolarHBondContact O-N 3.14Å; R360-V363 PolarHBondContact O-N 3.02Å; V363-Y366 WeakPolarHBondContact O-CB 3.35Å; V363-Y366 PolarHBondContact O-N 2.81Å; V363-C367 PolarHBondContact O-N 3Å; V363-V376 HydrophobicContact CG1-CG1 3.85Å
364	F	95.6	Very high	94.9	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-44.2	175.5	-66.5	-11.3	0	0	0	112.2	R360 R361 K362 Y366 C367 L368 V376 Y453 I455 I460 I464 F473	R360-F364 WeakPolarHBondContact O-CG 3.27Å; R360-F364 PolarHBondContact O-N 3.36Å; R361-F364 PolarHBondContact O-N 2.85Å; K362-F364 PolarHBondContact O-N 2.88Å; F364-Y366 VanDerWaalsContact C-N 3.28Å; F364-Y366 PolarHBondContact O-N 3.47Å; F364-C367 PolarHBondContact O-N 3.33Å; F364-L368 PolarHBondContact O-N 2.69Å; F364-L368 VanDerWaalsContact O-N 3.13Å; F364-V376 HydrophobicContact CD1-CB 4.18Å; F364-V376 HydrophobicContact CD1-CG1 3.91Å; F364-V376 HydrophobicContact CD1-CG2 4.14Å; F364-V376 HydrophobicContact CE1-CB 4.36Å; F364-V376 HydrophobicContact CE1-CG1 3.9Å; F364-Y453 HydrophobicContact CZ-CE2 4.32Å; F364-I455 HydrophobicContact CE1-CG2 3.97Å; F364-I455 HydrophobicContact CZ-CG2 4.39Å; F364-I460 HydrophobicContact CB-CG2 3.79Å; F364-I460 HydrophobicContact CG-CG1 4.48Å; F364-I460 HydrophobicContact CG-CG2 4.39Å; F364-I464 HydrophobicContact CB-CD1 3.73Å; F364-F473 HydrophobicContact CE2-CE2 4.05Å
365	G	96	Very high	95.1	Very high	29 Å²	29	52.8 Å²	52.8	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-35.8	174	0	0	0	0	0	113.2	R361 K362 L368 A369	R361-G365 PolarHBondContact O-N 2.83Å; K362-G365 PolarHBondContact O-N 3.15Å; G365-L368 PolarHBondContact O-N 3.37Å; G365-L368 VanDerWaalsContact O-N 3.15Å; G365-A369 PolarHBondContact O-N 2.82Å
366	Y	96.6	Very high	95.4	Very high	70 Å²	70	48.7 Å²	48.7	28%	0.275	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-45.7	176	-170	-84.8	0	0	0	111.5	V287 H317 V319 N348 K362 V363 F364 L368 A369 I370	V287-Y366 HydrophobicContact CG1-CD1 4.16Å; V287-Y366 HydrophobicContact CG2-CD1 3.79Å; V287-Y366 HydrophobicContact CG2-CE1 4.22Å; H317-Y366 HydrophobicContact CB-CE1 4.06Å; H317-Y366 AromaticContact ND1-CE1 4Å; V319-Y366 HydrophobicContact CG2-CD1 3.76Å; V319-Y366 HydrophobicContact CG2-CD2 4.22Å; V319-Y366 HydrophobicContact CG2-CE1 3.86Å; V319-Y366 HydrophobicContact CG2-CE2 4.33Å; V319-Y366 HydrophobicContact CG2-CG 3.95Å; N348-Y366 PolarHBondContact ND2-OH 3.2Å; N348-Y366 VanDerWaalsContact ND2-OH 3.12Å; K362-Y366 WeakPolarHBondContact O-CB 3.4Å; K362-Y366 PolarHBondContact O-N 3.46Å; V363-Y366 WeakPolarHBondContact O-CB 3.35Å; V363-Y366 PolarHBondContact O-N 2.81Å; F364-Y366 VanDerWaalsContact C-N 3.28Å; F364-Y366 PolarHBondContact O-N 3.47Å; Y366-L368 VanDerWaalsContact C-N 3.35Å; Y366-L368 PolarHBondContact O-N 3.4Å; Y366-A369 PolarHBondContact O-N 2.75Å; Y366-I370 HydrophobicContact CD1-CD1 3.76Å; Y366-I370 HydrophobicContact CE1-CD1 3.35Å; Y366-I370 HydrophobicContact CE1-CG1 4.49Å; Y366-I370 PolarHBondContact O-N 3.23Å
367	C	97.3	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-42.6	173	179.8	0	0	0	0	111.7	V287 V363 F364 A369 I370 C373 V376 R457 I460	V287-C367 HydrophobicContact CB-CB 4.26Å; V287-C367 HydrophobicContact CG2-CB 3.92Å; V363-C367 PolarHBondContact O-N 3Å; F364-C367 PolarHBondContact O-N 3.33Å; C367-A369 VanDerWaalsContact C-N 3.25Å; C367-A369 PolarHBondContact O-N 2.94Å; C367-I370 PolarHBondContact O-N 2.9Å; C367-I370 VanDerWaalsContact O-N 3.12Å; C367-C373 VanDerWaalsContact CA-SG 3.54Å; C367-C373 HydrophobicContact CB-CB 4.09Å; C367-C373 WeakPolarHBondContact CB-SG 3.43Å; C367-C373 WeakPolarHBondContact O-CB 3.42Å; C367-C373 WeakPolarHBondContact SG-CB 3.32Å; C367-C373 CovalentContact SG-SG 2.04Å; C367-C373 PolarHBondContact SG-SG 3.19Å; C367-V376 HydrophobicContact CB-CG2 3.4Å; C367-V376 VanDerWaalsContact CB-CG2 3.4Å; C367-R457 PolarHBondContact O-NH1 3.34Å; C367-I460 HydrophobicContact CB-CD1 4.4Å
368	L	97.1	Very high	96.1	Very high	45 Å²	45	42.1 Å²	42.1	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-33	178	-67	-176	0	0	0	113.2	F364 G365 Y366 I370 R457 I460 R461 I464	F364-L368 PolarHBondContact O-N 2.69Å; F364-L368 VanDerWaalsContact O-N 3.13Å; G365-L368 PolarHBondContact O-N 3.37Å; G365-L368 VanDerWaalsContact O-N 3.15Å; Y366-L368 VanDerWaalsContact C-N 3.35Å; Y366-L368 PolarHBondContact O-N 3.4Å; L368-I370 VanDerWaalsContact C-N 3.29Å; L368-I370 PolarHBondContact O-N 2.85Å; L368-R457 HydrophobicContact CD2-CG 3.98Å; L368-R457 PolarHBondContact O-NH2 2.84Å; L368-I460 HydrophobicContact CD1-CG2 3.86Å; L368-I460 HydrophobicContact CD2-CB 4.39Å; L368-I460 HydrophobicContact CD2-CG2 3.91Å; L368-I460 HydrophobicContact CG-CG2 3.78Å; L368-R461 HydrophobicContact CD2-CG 3.72Å; L368-I464 HydrophobicContact CD1-CB 4.44Å; L368-I464 HydrophobicContact CD1-CD1 4.41Å; L368-I464 HydrophobicContact CD1-CG1 4.17Å
369	A	96.8	Very high	96.3	Very high	90 Å²	90	40.9 Å²	40.9	74%	0.744	21%	0.208	S	C	*	.	H	α-helix	trans	-71.2	-21.8	177.2	0	0	0	0	0	113.7	G365 Y366 C367	G365-A369 PolarHBondContact O-N 2.82Å; Y366-A369 PolarHBondContact O-N 2.75Å; C367-A369 VanDerWaalsContact C-N 3.25Å; C367-A369 PolarHBondContact O-N 2.94Å
370	I	96.1	Very high	96.5	Very high	37 Å²	37	41.7 Å²	41.7	19%	0.19	21%	0.213	C	C	.	.	S	Bend	trans	-94.3	121.4	176.3	-60.1	165.9	0	0	0	109.1	L285 V287 Y366 C367 L368 D372 C373 R457	L285-I370 HydrophobicContact CD2-CG2 3.55Å; V287-I370 HydrophobicContact CG2-CD1 4.39Å; Y366-I370 HydrophobicContact CD1-CD1 3.76Å; Y366-I370 HydrophobicContact CE1-CD1 3.35Å; Y366-I370 HydrophobicContact CE1-CG1 4.49Å; Y366-I370 PolarHBondContact O-N 3.23Å; C367-I370 PolarHBondContact O-N 2.9Å; C367-I370 VanDerWaalsContact O-N 3.12Å; L368-I370 VanDerWaalsContact C-N 3.29Å; L368-I370 PolarHBondContact O-N 2.85Å; I370-D372 VanDerWaalsContact C-N 3.35Å; I370-D372 PolarHBondContact O-N 2.74Å; I370-C373 HydrophobicContact CB-CB 3.91Å; I370-C373 HydrophobicContact CG2-CB 4.09Å; I370-C373 PolarHBondContact O-N 3.34Å; I370-R457 PolarHBondContact O-NH1 3.18Å
371	E	93.1	Very high	96.7	Very high	171 Å²	171	41.3 Å²	41.3	80%	0.799	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-44.7	-175.2	-172.8	170.3	-173.8	0	0	112.4
372	D	93.5	Very high	96.8	Very high	103 Å²	103	37 Å²	37	55%	0.551	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.2	-176	-70.2	-31.6	0	0	0	114.6	L285 I370 K374	L285-D372 HydrophobicContact CD2-CB 4.16Å; I370-D372 VanDerWaalsContact C-N 3.35Å; I370-D372 PolarHBondContact O-N 2.74Å; D372-K374 PolarHBondContact O-N 2.85Å
373	C	97.2	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.5	-178.6	-179.7	0	0	0	0	110.9	L285 C367 I370 Y375 R457	L285-C373 HydrophobicContact CD2-CB 4.38Å; C367-C373 VanDerWaalsContact CA-SG 3.54Å; C367-C373 HydrophobicContact CB-CB 4.09Å; C367-C373 WeakPolarHBondContact CB-SG 3.43Å; C367-C373 WeakPolarHBondContact O-CB 3.42Å; C367-C373 WeakPolarHBondContact SG-CB 3.32Å; C367-C373 CovalentContact SG-SG 2.04Å; C367-C373 PolarHBondContact SG-SG 3.19Å; I370-C373 HydrophobicContact CB-CB 3.91Å; I370-C373 HydrophobicContact CG2-CB 4.09Å; I370-C373 PolarHBondContact O-N 3.34Å; C373-Y375 PolarHBondContact SG-O 3.09Å; C373-Y375 VanDerWaalsContact SG-O 3.34Å; C373-R457 VanDerWaalsContact O-CD 3.3Å; C373-R457 WeakPolarHBondContact O-CD 3.33Å; C373-R457 PolarHBondContact O-NH1 2.96Å; C373-R457 VanDerWaalsContact O-NH1 3.13Å
374	K	97.4	Very high	97.1	Very high	110 Å²	110	33.9 Å²	33.9	48%	0.478	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-29.9	-178.3	-60.7	-58.1	-178.1	-179.7	0	113.5	P284 L285 D372 R457	P284-K374 HydrophobicContact CB-CB 3.82Å; P284-K374 HydrophobicContact CB-CG 3.85Å; L285-K374 PolarHBondContact O-N 3.47Å; D372-K374 PolarHBondContact O-N 2.85Å; K374-R457 WeakPolarHBondContact O-CB 3.42Å; K374-R457 PolarHBondContact O-N 3.16Å
375	Y	98.4	Very high	97.2	Very high	15 Å²	15	34 Å²	34	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.7	-175.9	-56.7	-84.6	0	0	0	112.3	I275 P284 V286 V287 C373 V395 N398 L454 I455	I275-Y375 HydrophobicContact CD1-CE2 4.45Å; P284-Y375 HydrophobicContact CB-CD2 3.99Å; P284-Y375 HydrophobicContact CB-CE2 3.95Å; P284-Y375 HydrophobicContact CG-CD2 4.45Å; P284-Y375 HydrophobicContact CG-CE2 3.97Å; V286-Y375 WeakPolarHBondContact CA-O 3.45Å; V286-Y375 HydrophobicContact CG2-CD2 4.29Å; V287-Y375 PolarHBondContact N-O 3.01Å; C373-Y375 PolarHBondContact SG-O 3.09Å; C373-Y375 VanDerWaalsContact SG-O 3.34Å; Y375-V395 HydrophobicContact CD2-CG2 4.44Å; Y375-V395 HydrophobicContact CE2-CG1 4.19Å; Y375-N398 PolarHBondContact OH-OD1 3.15Å; Y375-L454 HydrophobicContact CD1-CD1 4.38Å; Y375-L454 HydrophobicContact CD1-CD2 3.86Å; Y375-L454 HydrophobicContact CD1-CG 3.91Å; Y375-L454 HydrophobicContact CE1-CD2 4.31Å; Y375-L454 HydrophobicContact CG-CD1 4.11Å; Y375-L454 HydrophobicContact CG-CD2 4.13Å; Y375-L454 HydrophobicContact CG-CG 4.14Å; Y375-I455 CarbonylContact C-O 3.08Å; Y375-I455 VanDerWaalsContact CA-O 3.29Å; Y375-I455 WeakPolarHBondContact CA-O 3.34Å
376	V	98.5	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.2	158.1	173.9	0	0	0	0	108.2	V287 V363 F364 C367 L454 I455 I460	V287-V376 HydrophobicContact CB-CG2 4.14Å; V287-V376 HydrophobicContact CG1-CG2 4.48Å; V287-V376 CarbonylContact O-C 3.59Å; V287-V376 WeakPolarHBondContact O-CA 3.37Å; V363-V376 HydrophobicContact CG1-CG1 3.85Å; F364-V376 HydrophobicContact CD1-CB 4.18Å; F364-V376 HydrophobicContact CD1-CG1 3.91Å; F364-V376 HydrophobicContact CD1-CG2 4.14Å; F364-V376 HydrophobicContact CE1-CB 4.36Å; F364-V376 HydrophobicContact CE1-CG1 3.9Å; C367-V376 HydrophobicContact CB-CG2 3.4Å; C367-V376 VanDerWaalsContact CB-CG2 3.4Å; V376-L454 CarbonylContact O-C 3.46Å; V376-L454 WeakPolarHBondContact O-CA 3.44Å; V376-I455 HydrophobicContact CB-CG2 3.77Å; V376-I455 HydrophobicContact CG1-CG2 4.42Å; V376-I455 PolarHBondContact N-O 3.27Å; V376-I455 WeakPolarHBondContact O-CG2 3.43Å; V376-I455 PolarHBondContact O-N 3.39Å; V376-I460 HydrophobicContact CB-CD1 4.02Å; V376-I460 HydrophobicContact CG2-CD1 3.45Å; V376-I460 VanDerWaalsContact CG2-CD1 3.45Å
377	F	98.7	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	100.5	166.2	-174.8	-140.8	0	0	0	108.4	V286 V287 M288 G289 V379 L385 T390 L391 L394 L454	V286-F377 HydrophobicContact CG1-CB 4.06Å; V287-F377 PolarHBondContact O-N 3.3Å; M288-F377 CarbonylContact C-O 3.43Å; M288-F377 WeakPolarHBondContact CA-O 3.1Å; M288-F377 HydrophobicContact CE-CD1 4.19Å; M288-F377 HydrophobicContact CG-CD1 4.33Å; G289-F377 PolarHBondContact N-O 3.06Å; F377-V379 HydrophobicContact CD1-CG2 3.44Å; F377-V379 VanDerWaalsContact CD1-CG2 3.44Å; F377-V379 HydrophobicContact CD2-CG2 4.04Å; F377-V379 HydrophobicContact CE1-CG2 3.29Å; F377-V379 HydrophobicContact CE2-CG2 3.89Å; F377-V379 HydrophobicContact CG-CG2 3.83Å; F377-V379 HydrophobicContact CZ-CG2 3.52Å; F377-L385 HydrophobicContact CE1-CD1 3.74Å; F377-L385 HydrophobicContact CZ-CD1 3.63Å; F377-T390 HydrophobicContact CZ-CG2 4.4Å; F377-L391 HydrophobicContact CB-CD1 3.86Å; F377-L391 HydrophobicContact CD1-CB 4.43Å; F377-L391 HydrophobicContact CD1-CD1 3.79Å; F377-L391 HydrophobicContact CD1-CD2 4.12Å; F377-L391 HydrophobicContact CD1-CG 4.34Å; F377-L391 HydrophobicContact CD2-CD1 4.26Å; F377-L391 HydrophobicContact CE1-CB 4.34Å; F377-L391 HydrophobicContact CE1-CD1 4.36Å; F377-L391 HydrophobicContact CG-CD1 3.73Å; F377-L394 HydrophobicContact CE2-CD1 3.85Å; F377-L394 HydrophobicContact CZ-CD1 4.34Å; F377-L454 HydrophobicContact CB-CD1 3.84Å; F377-L454 HydrophobicContact CD2-CB 4.3Å; F377-L454 HydrophobicContact CD2-CD1 4.38Å; F377-L454 HydrophobicContact CG-CD1 4.45Å
378	A	98.1	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.7	177.9	0	0	0	0	0	109.2	F291 A452 Y453	F291-A378 HydrophobicContact CE2-CB 3.9Å; A378-A452 CarbonylContact O-C 3.56Å; A378-A452 VanDerWaalsContact O-CA 3.26Å; A378-A452 WeakPolarHBondContact O-CA 3.29Å; A378-Y453 HydrophobicContact CB-CD2 4.24Å; A378-Y453 HydrophobicContact CB-CE1 4.19Å; A378-Y453 HydrophobicContact CB-CE2 3.82Å; A378-Y453 PolarHBondContact N-O 2.82Å; A378-Y453 PolarHBondContact O-N 2.76Å
379	V	98.4	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118	-176.1	-168.7	0	0	0	0	109.5	G289 I290 F291 F302 I306 F377 A383 L385	G289-V379 PolarHBondContact O-N 2.9Å; I290-V379 WeakPolarHBondContact CA-O 3.44Å; F291-V379 PolarHBondContact N-O 3.23Å; F302-V379 HydrophobicContact CE2-CG1 3.85Å; F302-V379 HydrophobicContact CZ-CG1 4.2Å; I306-V379 HydrophobicContact CD1-CG1 4.49Å; F377-V379 HydrophobicContact CD1-CG2 3.44Å; F377-V379 VanDerWaalsContact CD1-CG2 3.44Å; F377-V379 HydrophobicContact CD2-CG2 4.04Å; F377-V379 HydrophobicContact CE1-CG2 3.29Å; F377-V379 HydrophobicContact CE2-CG2 3.89Å; F377-V379 HydrophobicContact CG-CG2 3.83Å; F377-V379 HydrophobicContact CZ-CG2 3.52Å; V379-A383 HydrophobicContact CG1-CB 4.02Å; V379-L385 HydrophobicContact CG1-CD1 4.38Å
380	D	98	Very high	97.5	Very high	18 Å²	18	34.4 Å²	34.4	10%	0.096	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	144.8	171.7	-61.9	0.1	0	0	0	109	F291 R360 I382 A383 S451	F291-D380 WeakPolarHBondContact O-CA 3.33Å; R360-D380 IonicContact CZ-OD1 3.33Å; R360-D380 VanDerWaalsContact CZ-OD1 3.31Å; R360-D380 IonicContact NH1-OD1 3.88Å; R360-D380 PolarHBondContact NH1-OD1 3.22Å; R360-D380 VanDerWaalsContact NH2-CG 3.26Å; R360-D380 IonicContact NH2-OD1 3.83Å; R360-D380 PolarHBondContact NH2-OD1 3.17Å; R360-D380 IonicContact NH2-OD2 3.94Å; R360-D380 PolarHBondContact NH2-OD2 3.41Å; R360-D380 VanDerWaalsContact NH2-OD2 3.13Å; D380-I382 HydrophobicContact CB-CG1 4.17Å; D380-I382 PolarHBondContact O-N 2.85Å; D380-A383 VanDerWaalsContact O-CB 3.28Å; D380-A383 WeakPolarHBondContact O-CB 3.06Å; D380-A383 PolarHBondContact O-N 3.06Å; D380-S451 WeakPolarHBondContact CB-O 3.32Å; D380-S451 PolarHBondContact N-O 2.87Å; D380-S451 WeakPolarHBondContact OD2-CA 3.34Å
381	S	97.9	Very high	97.6	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.9	-175.6	53.8	0	0	0	0	115.5	F291 T296 F302 A383	F291-S381 PolarHBondContact O-N 3.33Å; F291-S381 PolarHBondContact O-OG 2.93Å; T296-S381 VanDerWaalsContact CG2-O 3.3Å; T296-S381 WeakPolarHBondContact CG2-O 3.46Å; T296-S381 PolarHBondContact OG1-OG 2.74Å; F302-S381 VanDerWaalsContact CD2-O 3.3Å; F302-S381 WeakPolarHBondContact CD2-O 3.5Å; S381-A383 PolarHBondContact O-N 2.88Å
382	I	97.9	Very high	97.8	Very high	19 Å²	19	25.2 Å²	25.2	10%	0.097	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	172.6	62.6	168.8	0	0	0	113.3	T296 D380 Q384 L495 T496 A498	T296-I382 HydrophobicContact CG2-CG2 4.27Å; D380-I382 HydrophobicContact CB-CG1 4.17Å; D380-I382 PolarHBondContact O-N 2.85Å; I382-Q384 PolarHBondContact O-N 2.82Å; I382-L495 HydrophobicContact CD1-CD2 4.5Å; I382-L495 HydrophobicContact CG1-CD2 4.43Å; I382-L495 WeakPolarHBondContact O-CA 3.42Å; I382-T496 WeakPolarHBondContact CA-OG1 3.26Å; I382-T496 PolarHBondContact O-N 3.39Å; I382-T496 PolarHBondContact O-OG1 3.31Å; I382-A498 HydrophobicContact CG2-CB 3.82Å
383	A	98.5	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	102	-180	0	0	0	0	0	111	F302 V379 D380 S381 L385 L406 A452 L495	F302-A383 WeakPolarHBondContact CD2-O 3.46Å; F302-A383 WeakPolarHBondContact CE2-O 3.39Å; V379-A383 HydrophobicContact CG1-CB 4.02Å; D380-A383 VanDerWaalsContact O-CB 3.28Å; D380-A383 WeakPolarHBondContact O-CB 3.06Å; D380-A383 PolarHBondContact O-N 3.06Å; S381-A383 PolarHBondContact O-N 2.88Å; A383-L385 PolarHBondContact O-N 2.92Å; A383-L406 HydrophobicContact CB-CD1 3.66Å; A383-A452 HydrophobicContact CB-CB 3.99Å; A383-L495 HydrophobicContact CB-CD2 4.3Å
384	Q	98.2	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	91.2	-179	-68.9	-62.5	-21	0	0	110.5	F298 R305 I382 D386 G493 Y494 T496	F298-Q384 PolarHBondContact O-NE2 2.93Å; R305-Q384 VanDerWaalsContact NH1-CB 3.34Å; I382-Q384 PolarHBondContact O-N 2.82Å; Q384-D386 PolarHBondContact O-N 3.44Å; Q384-D386 VanDerWaalsContact O-N 3.15Å; Q384-G493 WeakPolarHBondContact O-CA 3.35Å; Q384-Y494 HydrophobicContact CB-CD1 4.23Å; Q384-Y494 HydrophobicContact CB-CD2 3.9Å; Q384-Y494 HydrophobicContact CB-CE1 3.97Å; Q384-Y494 HydrophobicContact CB-CE2 3.62Å; Q384-Y494 HydrophobicContact CB-CG 4.2Å; Q384-Y494 HydrophobicContact CG-CD2 4.24Å; Q384-Y494 HydrophobicContact CG-CE2 3.7Å; Q384-Y494 PolarHBondContact N-O 2.89Å; Q384-Y494 PolarHBondContact O-N 2.92Å; Q384-T496 HydrophobicContact CG-CG2 3.69Å
385	L	98.3	Very high	98	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	9%	0.09	C	C	.	.			trans	-80.1	89.6	-179.2	-54.5	-179.3	0	0	0	110.8	R305 L309 F377 V379 A383 T390 P404 L406	R305-L385 WeakPolarHBondContact CB-O 3.45Å; R305-L385 WeakPolarHBondContact CG-O 3.23Å; L309-L385 HydrophobicContact CD2-CD1 4.37Å; F377-L385 HydrophobicContact CE1-CD1 3.74Å; F377-L385 HydrophobicContact CZ-CD1 3.63Å; V379-L385 HydrophobicContact CG1-CD1 4.38Å; A383-L385 PolarHBondContact O-N 2.92Å; L385-T390 HydrophobicContact CD1-CG2 4.35Å; L385-T390 HydrophobicContact CD2-CG2 4.23Å; L385-P404 HydrophobicContact CD2-CG 4.45Å; L385-L406 HydrophobicContact CD2-CD1 4.07Å; L385-L406 HydrophobicContact CD2-CD2 4.08Å
386	D	96.7	Very high	97.9	Very high	74 Å²	74	20.3 Å²	20.3	40%	0.396	11%	0.107	S	C	.	.			trans	-83.2	-13.4	-179.7	64.3	14.1	0	0	0	114	Q384 P388 F492 G493	Q384-D386 PolarHBondContact O-N 3.44Å; Q384-D386 VanDerWaalsContact O-N 3.15Å; D386-P388 WeakPolarHBondContact O-CD 3.27Å; D386-F492 PolarHBondContact N-O 3.39Å; D386-G493 VanDerWaalsContact OD1-CA 3.24Å; D386-G493 WeakPolarHBondContact OD1-CA 3.46Å; D386-G493 PolarHBondContact OD1-N 3.16Å
387	N	98.3	Very high	97.8	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.16	11%	0.108	C	C	.	.			trans	-90.2	111.9	169.6	-175.4	-15	0	0	0	110.5	D389 T390 S491 F492	N387-D389 PolarHBondContact O-N 3.39Å; N387-D389 VanDerWaalsContact O-N 3.15Å; N387-D389 PolarHBondContact OD1-N 3.15Å; N387-T390 WeakPolarHBondContact O-CB 3.23Å; N387-T390 PolarHBondContact O-N 3.2Å; N387-T390 PolarHBondContact O-OG1 3.49Å; N387-S491 WeakPolarHBondContact CB-O 3.45Å; N387-S491 PolarHBondContact ND2-O 2.71Å; N387-F492 PolarHBondContact N-O 3.4Å
388	P	98.3	Very high	97.7	Very high	56 Å²	56	23.9 Å²	23.9	36%	0.364	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.7	-178	26.7	-34.9	0	0	0	113.1	A308 L309 S310 D386 T390	A308-P388 WeakPolarHBondContact O-CB 3.39Å; L309-P388 CarbonylContact C-O 3.52Å; L309-P388 WeakPolarHBondContact CA-O 3.12Å; S310-P388 PolarHBondContact N-O 3.1Å; S310-P388 PolarHBondContact OG-O 2.76Å; D386-P388 WeakPolarHBondContact O-CD 3.27Å; P388-T390 VanDerWaalsContact C-N 3.31Å; P388-T390 PolarHBondContact O-N 2.93Å
389	D	97.7	Very high	97.7	Very high	82 Å²	82	25.4 Å²	25.4	44%	0.439	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.1	-177.3	-64.1	-39.2	0	0	0	114.1	S310 N387 L391 S392 H393	S310-D389 WeakPolarHBondContact CB-OD1 3.25Å; S310-D389 PolarHBondContact OG-OD1 3.29Å; N387-D389 PolarHBondContact O-N 3.39Å; N387-D389 VanDerWaalsContact O-N 3.15Å; N387-D389 PolarHBondContact OD1-N 3.15Å; D389-L391 PolarHBondContact O-N 3.22Å; D389-S392 PolarHBondContact O-N 2.91Å; D389-H393 WeakPolarHBondContact O-CB 3.33Å; D389-H393 PolarHBondContact O-N 3.16Å
390	T	98.6	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-49.1	-55.4	-175.5	-63.1	0	0	0	0	112.7	F377 L385 N387 P388 S392 H393 L394 P404 F492	F377-T390 HydrophobicContact CZ-CG2 4.4Å; L385-T390 HydrophobicContact CD1-CG2 4.35Å; L385-T390 HydrophobicContact CD2-CG2 4.23Å; N387-T390 WeakPolarHBondContact O-CB 3.23Å; N387-T390 PolarHBondContact O-N 3.2Å; N387-T390 PolarHBondContact O-OG1 3.49Å; P388-T390 VanDerWaalsContact C-N 3.31Å; P388-T390 PolarHBondContact O-N 2.93Å; T390-S392 PolarHBondContact O-N 2.81Å; T390-H393 PolarHBondContact O-N 2.94Å; T390-L394 HydrophobicContact CG2-CD1 3.87Å; T390-L394 HydrophobicContact CG2-CG 4.44Å; T390-L394 VanDerWaalsContact O-CG 3.27Å; T390-L394 WeakPolarHBondContact O-CG 3.35Å; T390-L394 PolarHBondContact O-N 2.8Å; T390-P404 HydrophobicContact CG2-CB 4.04Å; T390-P404 HydrophobicContact CG2-CG 4.02Å; T390-F492 HydrophobicContact CG2-CB 4.37Å; T390-F492 HydrophobicContact CG2-CD1 3.83Å; T390-F492 HydrophobicContact CG2-CG 4.44Å; T390-F492 PolarHBondContact OG1-O 3.32Å
391	L	98.4	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-43	-176.4	178.9	55.5	0	0	0	112.1	V286 M288 Y311 L316 F377 D389 H393 L394 V395 L454	V286-L391 HydrophobicContact CG1-CD1 4.46Å; M288-L391 HydrophobicContact CE-CD2 4.04Å; Y311-L391 HydrophobicContact CD1-CD2 4.3Å; Y311-L391 HydrophobicContact CD2-CB 4.32Å; Y311-L391 HydrophobicContact CD2-CD2 4.02Å; Y311-L391 HydrophobicContact CD2-CG 3.71Å; Y311-L391 HydrophobicContact CE2-CG 4.19Å; Y311-L391 HydrophobicContact CG-CD2 3.84Å; Y311-L391 HydrophobicContact CG-CG 4.05Å; L316-L391 HydrophobicContact CD1-CD2 4.43Å; L316-L391 HydrophobicContact CD2-CD2 3.65Å; F377-L391 HydrophobicContact CB-CD1 3.86Å; F377-L391 HydrophobicContact CD1-CB 4.43Å; F377-L391 HydrophobicContact CD1-CD1 3.79Å; F377-L391 HydrophobicContact CD1-CD2 4.12Å; F377-L391 HydrophobicContact CD1-CG 4.34Å; F377-L391 HydrophobicContact CD2-CD1 4.26Å; F377-L391 HydrophobicContact CE1-CB 4.34Å; F377-L391 HydrophobicContact CE1-CD1 4.36Å; F377-L391 HydrophobicContact CG-CD1 3.73Å; D389-L391 PolarHBondContact O-N 3.22Å; L391-H393 VanDerWaalsContact C-N 3.28Å; L391-H393 PolarHBondContact O-N 3.21Å; L391-L394 PolarHBondContact O-N 2.78Å; L391-V395 HydrophobicContact CD1-CG2 3.96Å; L391-V395 HydrophobicContact CG-CG2 4.48Å; L391-V395 WeakPolarHBondContact O-CG2 3.36Å; L391-V395 PolarHBondContact O-N 3.15Å; L391-L454 HydrophobicContact CD1-CD1 3.82Å
392	S	97	Very high	97.7	Very high	16 Å²	16	25 Å²	25	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-41.7	177.9	-57.1	0	0	0	0	111.2	S310 D389 T390 K396	S310-S392 PolarHBondContact OG-OG 3.29Å; D389-S392 PolarHBondContact O-N 2.91Å; T390-S392 PolarHBondContact O-N 2.81Å; S392-K396 PolarHBondContact O-N 2.73Å; S392-K396 VanDerWaalsContact O-N 3.14Å
393	H	97.2	Very high	97.7	Very high	27 Å²	27	24 Å²	24	13%	0.125	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-51.1	176.7	-176.6	77.4	0	0	0	112.2	D389 T390 L391 V395 K396 M397 D487 Q489 M490 F492	D389-H393 WeakPolarHBondContact O-CB 3.33Å; D389-H393 PolarHBondContact O-N 3.16Å; T390-H393 PolarHBondContact O-N 2.94Å; L391-H393 VanDerWaalsContact C-N 3.28Å; L391-H393 PolarHBondContact O-N 3.21Å; H393-V395 VanDerWaalsContact C-N 3.29Å; H393-V395 PolarHBondContact O-N 2.97Å; H393-K396 WeakPolarHBondContact O-CB 3.37Å; H393-K396 PolarHBondContact O-N 2.97Å; H393-K396 VanDerWaalsContact O-N 3.08Å; H393-M397 WeakPolarHBondContact O-CG 3.36Å; H393-M397 PolarHBondContact O-N 2.8Å; H393-D487 IonicContact CD2-OD2 3.11Å; H393-D487 IonicContact NE2-OD1 2.66Å; H393-D487 IonicContact NE2-OD2 2.67Å; H393-D487 PolarHBondContact NE2-OD2 2.85Å; H393-D487 VanDerWaalsContact NE2-OD2 3.09Å; H393-Q489 PolarHBondContact NE2-NE2 3.11Å; H393-M490 VanDerWaalsContact CE1-CE 3.41Å; H393-M490 WeakPolarHBondContact CE1-CE 3.43Å; H393-M490 WeakPolarHBondContact ND1-CE 3.45Å; H393-F492 HydrophobicContact CB-CE1 4.33Å; H393-F492 AromaticContact CD2-CE1 3.56Å; H393-F492 AromaticContact CD2-CZ 3.47Å; H393-F492 VanDerWaalsContact CD2-CZ 3.47Å; H393-F492 WeakPolarHBondContact CD2-CZ 3.39Å; H393-F492 AromaticContact NE2-CZ 3.9Å
394	L	98.1	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-38.8	-179	-65.5	172.1	0	0	0	112.3	F377 T390 L391 M397 I402 P404 L454 D487	F377-L394 HydrophobicContact CE2-CD1 3.85Å; F377-L394 HydrophobicContact CZ-CD1 4.34Å; T390-L394 HydrophobicContact CG2-CD1 3.87Å; T390-L394 HydrophobicContact CG2-CG 4.44Å; T390-L394 VanDerWaalsContact O-CG 3.27Å; T390-L394 WeakPolarHBondContact O-CG 3.35Å; T390-L394 PolarHBondContact O-N 2.8Å; L391-L394 PolarHBondContact O-N 2.78Å; L394-M397 PolarHBondContact O-N 3.27Å; L394-I402 HydrophobicContact CB-CG2 4.21Å; L394-I402 HydrophobicContact CD2-CD1 4.1Å; L394-I402 HydrophobicContact CD2-CG1 3.94Å; L394-I402 HydrophobicContact CD2-CG2 4.17Å; L394-P404 HydrophobicContact CD1-CB 4.29Å; L394-P404 HydrophobicContact CD1-CG 3.98Å; L394-P404 HydrophobicContact CD2-CB 4.4Å; L394-L454 HydrophobicContact CB-CB 4.3Å; L394-L454 HydrophobicContact CB-CD2 4.08Å; L394-D487 HydrophobicContact CD2-CB 4.34Å
395	V	97.6	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-43.4	175.3	169	0	0	0	0	110.9	I275 P284 V286 Y311 Y375 L391 H393 M397 N398 L454	I275-V395 HydrophobicContact CD1-CG1 4.34Å; I275-V395 WeakPolarHBondContact CD1-O 3.3Å; P284-V395 HydrophobicContact CG-CG1 3.76Å; V286-V395 HydrophobicContact CG2-CG2 4.26Å; Y311-V395 HydrophobicContact CE2-CB 4.29Å; Y311-V395 HydrophobicContact CE2-CG1 4.46Å; Y311-V395 HydrophobicContact CE2-CG2 3.91Å; Y375-V395 HydrophobicContact CD2-CG2 4.44Å; Y375-V395 HydrophobicContact CE2-CG1 4.19Å; L391-V395 HydrophobicContact CD1-CG2 3.96Å; L391-V395 HydrophobicContact CG-CG2 4.48Å; L391-V395 WeakPolarHBondContact O-CG2 3.36Å; L391-V395 PolarHBondContact O-N 3.15Å; H393-V395 VanDerWaalsContact C-N 3.29Å; H393-V395 PolarHBondContact O-N 2.97Å; V395-M397 PolarHBondContact O-N 3.45Å; V395-N398 PolarHBondContact O-N 3.22Å; V395-L454 HydrophobicContact CB-CD2 4.31Å; V395-L454 HydrophobicContact CG2-CD1 4.21Å; V395-L454 HydrophobicContact CG2-CD2 3.67Å
396	K	96.6	Very high	97.8	Very high	97 Å²	97	24 Å²	24	42%	0.422	13%	0.125	S	C	.	.	H	α-helix	trans	-56.8	-36.9	177.4	-176	-176.8	175.9	-175.1	0	112.2	N274 I275 S392 H393 N398	N274-K396 CarbonylContact C-O 3.59Å; N274-K396 VanDerWaalsContact CA-O 3.24Å; N274-K396 WeakPolarHBondContact CA-O 3.41Å; N274-K396 HydrophobicContact CB-CG 4.26Å; N274-K396 PolarHBondContact OD1-O 3.01Å; I275-K396 PolarHBondContact N-O 3.15Å; S392-K396 PolarHBondContact O-N 2.73Å; S392-K396 VanDerWaalsContact O-N 3.14Å; H393-K396 WeakPolarHBondContact O-CB 3.37Å; H393-K396 PolarHBondContact O-N 2.97Å; H393-K396 VanDerWaalsContact O-N 3.08Å; K396-N398 PolarHBondContact O-N 3.49Å
397	M	96.5	Very high	97.9	Very high	4 Å²	4	22 Å²	22	2%	0.02	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.8	-177.5	-61.1	-56.6	91	0	0	114.3	H393 L394 V395 R399 I402 I443 Q489	H393-M397 WeakPolarHBondContact O-CG 3.36Å; H393-M397 PolarHBondContact O-N 2.8Å; L394-M397 PolarHBondContact O-N 3.27Å; V395-M397 PolarHBondContact O-N 3.45Å; M397-R399 HydrophobicContact CB-CG 4.37Å; M397-R399 WeakPolarHBondContact O-CD 3.35Å; M397-R399 WeakPolarHBondContact O-CG 3.44Å; M397-R399 VanDerWaalsContact O-CZ 3.3Å; M397-R399 PolarHBondContact O-N 3.2Å; M397-R399 PolarHBondContact O-NH1 2.59Å; M397-I402 HydrophobicContact CB-CD1 3.73Å; M397-I402 HydrophobicContact CG-CD1 4.04Å; M397-I443 HydrophobicContact CB-CD1 4.12Å; M397-I443 HydrophobicContact CG-CD1 3.93Å; M397-I443 HydrophobicContact SD-CD1 3.72Å; M397-Q489 PolarHBondContact SD-NE2 2.89Å; M397-Q489 VanDerWaalsContact SD-NE2 3.45Å
398	N	96.4	Very high	97.8	Very high	71 Å²	71	21.6 Å²	21.6	38%	0.38	11%	0.114	S	C	.	.			trans	50.8	50.2	169.6	-163.1	22.3	0	0	0	115	D273 I275 Y375 V395 K396	D273-N398 VanDerWaalsContact O-CB 3.3Å; D273-N398 WeakPolarHBondContact O-CB 3.41Å; D273-N398 PolarHBondContact O-ND2 3.23Å; I275-N398 HydrophobicContact CD1-CB 4.4Å; I275-N398 HydrophobicContact CG1-CB 3.99Å; Y375-N398 PolarHBondContact OH-OD1 3.15Å; V395-N398 PolarHBondContact O-N 3.22Å; K396-N398 PolarHBondContact O-N 3.49Å
399	R	97	Very high	97.6	Very high	33 Å²	33	22.4 Å²	22.4	13%	0.125	11%	0.11	C	C	.	.			trans	-109.1	157.9	-179.6	-58.8	-52.5	-174	-118.1	7.2	111.9	Q269 E272 M397 I402 F485	Q269-R399 PolarHBondContact O-NH2 3.4Å; E272-R399 PolarHBondContact O-NH1 3.3Å; M397-R399 HydrophobicContact CB-CG 4.37Å; M397-R399 WeakPolarHBondContact O-CD 3.35Å; M397-R399 WeakPolarHBondContact O-CG 3.44Å; M397-R399 VanDerWaalsContact O-CZ 3.3Å; M397-R399 PolarHBondContact O-N 3.2Å; M397-R399 PolarHBondContact O-NH1 2.59Å; R399-I402 HydrophobicContact CB-CB 3.95Å; R399-I402 HydrophobicContact CB-CD1 4.47Å; R399-I402 HydrophobicContact CB-CG2 4.21Å; R399-I402 HydrophobicContact CG-CB 4.38Å; R399-I402 HydrophobicContact CG-CD1 3.99Å; R399-F485 HydrophobicContact CB-CD2 3.86Å; R399-F485 HydrophobicContact CB-CE2 4.24Å; R399-F485 HydrophobicContact CG-CD2 4.07Å; R399-F485 HydrophobicContact CG-CE2 4.4Å; R399-F485 HydrophobicContact CG-CG 4.49Å
400	S	97.5	Very high	97.2	Very high	11 Å²	11	22.7 Å²	22.7	8%	0.077	13%	0.132	C	C	.	.	S	Bend	trans	-63.7	-51.6	178.3	-72.3	0	0	0	0	112.7	D37 I455 S456 W458	D37-S400 VanDerWaalsContact CG-OG 3.25Å; D37-S400 PolarHBondContact OD1-OG 2.8Å; D37-S400 WeakPolarHBondContact OD2-CB 3.43Å; D37-S400 PolarHBondContact OD2-OG 2.78Å; S400-I455 WeakPolarHBondContact O-CA 3.23Å; S400-S456 PolarHBondContact O-N 2.58Å; S400-W458 VanDerWaalsContact OG-CZ3 3.28Å; S400-W458 WeakPolarHBondContact OG-CZ3 3.26Å
401	I	98.4	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.3	166.9	-62.5	166.1	0	0	0	107.8	V449 Y453 L454 I455 A459 L463 F473 A477 V482 F483 M484 F485	I401-V449 HydrophobicContact CG2-CG2 3.73Å; I401-Y453 HydrophobicContact CG2-CD2 4.28Å; I401-L454 CarbonylContact C-O 3.52Å; I401-L454 VanDerWaalsContact CA-O 3.3Å; I401-L454 WeakPolarHBondContact CA-O 3.45Å; I401-I455 HydrophobicContact CD1-CD1 4.18Å; I401-I455 HydrophobicContact CD1-CG1 4.43Å; I401-I455 HydrophobicContact CG1-CB 4.16Å; I401-I455 HydrophobicContact CG1-CD1 4.02Å; I401-I455 HydrophobicContact CG1-CG1 3.73Å; I401-A459 HydrophobicContact CG1-CB 4.28Å; I401-L463 HydrophobicContact CD1-CD1 4Å; I401-F473 HydrophobicContact CD1-CE1 3.94Å; I401-F473 HydrophobicContact CD1-CZ 3.87Å; I401-A477 HydrophobicContact CD1-CB 4.46Å; I401-V482 HydrophobicContact CD1-CG1 3.8Å; I401-V482 HydrophobicContact CG1-CG1 4.21Å; I401-F483 PolarHBondContact N-O 3.2Å; I401-M484 HydrophobicContact CB-CG 4.06Å; I401-M484 HydrophobicContact CD1-CG 3.76Å; I401-M484 HydrophobicContact CG2-CB 4.4Å; I401-M484 HydrophobicContact CG2-CG 4.02Å; I401-F485 WeakPolarHBondContact O-CD2 3.12Å; I401-F485 PolarHBondContact O-N 3.33Å
402	I	98.7	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.2	176.9	-170.9	173.2	0	0	0	111.6	L394 M397 R399 I443 Y453 L454 F485 D487	L394-I402 HydrophobicContact CB-CG2 4.21Å; L394-I402 HydrophobicContact CD2-CD1 4.1Å; L394-I402 HydrophobicContact CD2-CG1 3.94Å; L394-I402 HydrophobicContact CD2-CG2 4.17Å; M397-I402 HydrophobicContact CB-CD1 3.73Å; M397-I402 HydrophobicContact CG-CD1 4.04Å; R399-I402 HydrophobicContact CB-CB 3.95Å; R399-I402 HydrophobicContact CB-CD1 4.47Å; R399-I402 HydrophobicContact CB-CG2 4.21Å; R399-I402 HydrophobicContact CG-CB 4.38Å; R399-I402 HydrophobicContact CG-CD1 3.99Å; I402-I443 HydrophobicContact CD1-CD1 4.34Å; I402-I443 HydrophobicContact CD1-CG1 4.49Å; I402-I443 HydrophobicContact CD1-CG2 4.36Å; I402-Y453 CarbonylContact O-C 3.59Å; I402-Y453 WeakPolarHBondContact O-CA 3.46Å; I402-L454 HydrophobicContact CG2-CB 3.96Å; I402-L454 HydrophobicContact CG2-CD2 4.35Å; I402-L454 PolarHBondContact N-O 3.4Å; I402-L454 PolarHBondContact O-N 2.98Å; I402-F485 CarbonylContact C-O 3.47Å; I402-F485 WeakPolarHBondContact CA-O 3.06Å; I402-F485 HydrophobicContact CB-CB 4.3Å; I402-F485 HydrophobicContact CG1-CB 4.11Å; I402-D487 HydrophobicContact CD1-CB 4.05Å; I402-D487 HydrophobicContact CG1-CB 4.19Å
403	A	98.8	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.2	177.9	0	0	0	0	0	110.3	V449 A452 F485 V486 D487	A403-V449 HydrophobicContact CB-CB 3.76Å; A403-V449 HydrophobicContact CB-CG1 3.8Å; A403-V449 HydrophobicContact CB-CG2 4.34Å; A403-A452 WeakPolarHBondContact CA-O 3.4Å; A403-A452 VanDerWaalsContact CB-O 3.24Å; A403-A452 WeakPolarHBondContact CB-O 3.43Å; A403-F485 PolarHBondContact N-O 3.2Å; A403-V486 CarbonylContact O-C 3.5Å; A403-V486 WeakPolarHBondContact O-CA 3.36Å; A403-D487 PolarHBondContact O-N 3.32Å
404	P	98.7	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.5	163.9	29.4	-28.5	0	0	0	108.7	L385 T390 L394 L406 N415 A452 F492	L385-P404 HydrophobicContact CD2-CG 4.45Å; T390-P404 HydrophobicContact CG2-CB 4.04Å; T390-P404 HydrophobicContact CG2-CG 4.02Å; L394-P404 HydrophobicContact CD1-CB 4.29Å; L394-P404 HydrophobicContact CD1-CG 3.98Å; L394-P404 HydrophobicContact CD2-CB 4.4Å; P404-L406 HydrophobicContact CG-CG 4.42Å; P404-L406 PolarHBondContact O-N 2.82Å; P404-N415 PolarHBondContact O-ND2 3.28Å; P404-N415 PolarHBondContact O-OD1 2.81Å; P404-A452 WeakPolarHBondContact CD-O 3.35Å; P404-A452 HydrophobicContact CG-CB 4.09Å; P404-F492 HydrophobicContact CB-CB 3.52Å; P404-F492 HydrophobicContact CB-CD1 3.92Å; P404-F492 HydrophobicContact CB-CD2 3.58Å; P404-F492 HydrophobicContact CB-CE2 4.25Å; P404-F492 HydrophobicContact CB-CG 3.38Å
405	L	98.7	Very high	96.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.185	C	C	.	.			trans	-63.7	120.1	173.3	174	65.8	0	0	0	109.5	T407 F416 I436 Y438 V486 D487 N488	L405-T407 HydrophobicContact CD1-CG2 4.31Å; L405-F416 HydrophobicContact CD1-CD1 3.81Å; L405-F416 HydrophobicContact CD1-CE1 3.56Å; L405-I436 HydrophobicContact CD1-CG2 4.24Å; L405-Y438 HydrophobicContact CD2-CE2 3.87Å; L405-V486 HydrophobicContact CB-CG2 3.96Å; L405-V486 HydrophobicContact CD1-CG2 4.22Å; L405-D487 VanDerWaalsContact CB-O 3.23Å; L405-D487 WeakPolarHBondContact CB-O 3.49Å; L405-D487 PolarHBondContact N-O 3.14Å; L405-N488 HydrophobicContact CB-CB 3.84Å; L405-N488 HydrophobicContact CD2-CB 3.46Å; L405-N488 VanDerWaalsContact CD2-CB 3.46Å; L405-N488 HydrophobicContact CG-CB 4.27Å
406	L	98.7	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.			trans	-127.6	132.2	173.6	-54.3	175	0	0	0	109.1	A383 L385 P404 S414 N415 A452 F492 G493 L495	A383-L406 HydrophobicContact CB-CD1 3.66Å; L385-L406 HydrophobicContact CD2-CD1 4.07Å; L385-L406 HydrophobicContact CD2-CD2 4.08Å; P404-L406 HydrophobicContact CG-CG 4.42Å; P404-L406 PolarHBondContact O-N 2.82Å; L406-S414 CarbonylContact O-C 3.59Å; L406-S414 WeakPolarHBondContact O-CA 3.41Å; L406-S414 WeakPolarHBondContact O-CB 3.29Å; L406-N415 HydrophobicContact CB-CB 4.38Å; L406-N415 PolarHBondContact N-OD1 2.7Å; L406-N415 PolarHBondContact O-N 3.47Å; L406-N415 PolarHBondContact O-OD1 2.82Å; L406-A452 HydrophobicContact CD1-CB 3.75Å; L406-F492 HydrophobicContact CD2-CB 4.21Å; L406-G493 VanDerWaalsContact CD2-C 3.42Å; L406-L495 HydrophobicContact CB-CD1 4.49Å; L406-L495 HydrophobicContact CB-CD2 3.83Å; L406-L495 HydrophobicContact CB-CG 3.78Å; L406-L495 HydrophobicContact CD1-CD2 3.96Å
407	T	98.1	Very high	96.8	Very high	34 Å²	34	31.9 Å²	31.9	21%	0.209	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-120.8	152.9	175.9	62.2	0	0	0	0	110.4	L405 R409 W413 I436 Y494 L495	L405-T407 HydrophobicContact CD1-CG2 4.31Å; T407-R409 PolarHBondContact O-N 3.15Å; T407-W413 WeakPolarHBondContact CA-O 3.18Å; T407-I436 HydrophobicContact CG2-CB 4.14Å; T407-I436 HydrophobicContact CG2-CG2 4.31Å; T407-Y494 CarbonylContact O-C 3.57Å; T407-Y494 WeakPolarHBondContact O-CA 3.46Å; T407-Y494 VanDerWaalsContact O-CB 3.3Å; T407-Y494 WeakPolarHBondContact O-CB 3.24Å; T407-L495 PolarHBondContact O-N 2.73Å
408	I	96.6	Very high	96.8	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.108	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-69.1	126.7	165.2	-59.4	175	0	0	0	107.4	G410 K411 W413 L495 D497	I408-G410 PolarHBondContact O-N 2.85Å; I408-K411 HydrophobicContact CB-CB 4.15Å; I408-K411 HydrophobicContact CB-CD 4.3Å; I408-K411 HydrophobicContact CB-CG 4.47Å; I408-K411 HydrophobicContact CG2-CB 4.32Å; I408-K411 HydrophobicContact CG2-CD 3.75Å; I408-K411 HydrophobicContact CG2-CG 4.09Å; I408-K411 PolarHBondContact O-N 3.27Å; I408-W413 HydrophobicContact CD1-CB 4.03Å; I408-W413 HydrophobicContact CG1-CB 4.45Å; I408-W413 PolarHBondContact N-O 3.33Å; I408-L495 HydrophobicContact CG1-CB 3.83Å; I408-L495 HydrophobicContact CG1-CD1 4.38Å; I408-D497 HydrophobicContact CD1-CB 4.47Å; I408-D497 HydrophobicContact CG2-CB 4.38Å
409	R	93.9	Very high	96.8	Very high	73 Å²	73	29.5 Å²	29.5	28%	0.275	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	125.6	-173.2	-59.1	176.8	72.4	179.6	-1.3	111.3	T407 K411 Y494 D519 E522	T407-R409 PolarHBondContact O-N 3.15Å; R409-K411 VanDerWaalsContact C-N 3.28Å; R409-K411 PolarHBondContact O-N 3.37Å; R409-Y494 VanDerWaalsContact CD-CD2 3.5Å; R409-Y494 HydrophobicContact CG-CD1 4.27Å; R409-Y494 HydrophobicContact CG-CD2 3.63Å; R409-Y494 HydrophobicContact CG-CE2 4.32Å; R409-Y494 HydrophobicContact CG-CG 3.59Å; R409-D519 IonicContact NH1-OD2 3.72Å; R409-E522 IonicContact CZ-OE1 2.65Å; R409-E522 VanDerWaalsContact CZ-OE1 3.31Å; R409-E522 IonicContact NH1-OE1 2.73Å; R409-E522 PolarHBondContact NH1-OE1 3.3Å; R409-E522 IonicContact NH1-OE2 3.21Å; R409-E522 IonicContact NH2-OE1 2.54Å; R409-E522 PolarHBondContact NH2-OE1 3.37Å
410	G	90.3	Very high	96.6	Very high	88 Å²	88	29.3 Å²	29.3	91%	0.907	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	6.4	-178.6	0	0	0	0	0	115.5	I408	I408-G410 PolarHBondContact O-N 2.85Å
411	K	93.3	Very high	96.4	Very high	88 Å²	88	30 Å²	30	38%	0.383	17%	0.173	S	C	.	.	S	Bend	trans	-123.6	161.4	176.1	-54.2	-175.5	-168.9	176.4	0	110.2	I408 R409 D497	I408-K411 HydrophobicContact CB-CB 4.15Å; I408-K411 HydrophobicContact CB-CD 4.3Å; I408-K411 HydrophobicContact CB-CG 4.47Å; I408-K411 HydrophobicContact CG2-CB 4.32Å; I408-K411 HydrophobicContact CG2-CD 3.75Å; I408-K411 HydrophobicContact CG2-CG 4.09Å; I408-K411 PolarHBondContact O-N 3.27Å; R409-K411 VanDerWaalsContact C-N 3.28Å; R409-K411 PolarHBondContact O-N 3.37Å; K411-D497 IonicContact NZ-OD2 2.7Å; K411-D497 PolarHBondContact NZ-OD2 3.48Å
412	A	95.2	Very high	95.8	Very high	34 Å²	34	37.8 Å²	37.8	28%	0.281	22%	0.221	S	C	.	.	S	Bend	trans	-81.7	-16.1	177.4	0	0	0	0	0	113.6	S414 Y432 M433 I436	A412-S414 PolarHBondContact O-N 2.81Å; A412-Y432 PolarHBondContact O-OH 2.97Å; A412-M433 HydrophobicContact CB-SD 4.42Å; A412-I436 HydrophobicContact CB-CD1 3.83Å
413	W	94.9	Very high	95.4	Very high	160 Å²	160	43.1 Å²	43.1	61%	0.606	25%	0.249	S	C	*	.			trans	-63.6	125.6	-178.4	-64.2	110.4	0	0	0	111	T407 I408	T407-W413 WeakPolarHBondContact CA-O 3.18Å; I408-W413 HydrophobicContact CD1-CB 4.03Å; I408-W413 HydrophobicContact CG1-CB 4.45Å; I408-W413 PolarHBondContact N-O 3.33Å
414	S	97.4	Very high	94.9	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-129.8	174.6	-176.3	73.4	0	0	0	0	112.3	L406 A412 F416 Y432	L406-S414 CarbonylContact O-C 3.59Å; L406-S414 WeakPolarHBondContact O-CA 3.41Å; L406-S414 WeakPolarHBondContact O-CB 3.29Å; A412-S414 PolarHBondContact O-N 2.81Å; S414-F416 PolarHBondContact O-N 3.42Å; S414-F416 WeakPolarHBondContact OG-CD1 3.38Å; S414-F416 WeakPolarHBondContact OG-CE1 3.44Å; S414-F416 PolarHBondContact OG-O 3.1Å; S414-Y432 WeakPolarHBondContact CB-OH 3.48Å; S414-Y432 PolarHBondContact N-OH 3.34Å; S414-Y432 PolarHBondContact OG-OH 3.17Å
415	N	97.9	Very high	94.6	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-84.8	21.7	178.7	74.3	-39.2	0	0	0	114.7	P404 L406 V449 R450 L495	P404-N415 PolarHBondContact O-ND2 3.28Å; P404-N415 PolarHBondContact O-OD1 2.81Å; L406-N415 HydrophobicContact CB-CB 4.38Å; L406-N415 PolarHBondContact N-OD1 2.7Å; L406-N415 PolarHBondContact O-N 3.47Å; L406-N415 PolarHBondContact O-OD1 2.82Å; N415-V449 CarbonylContact O-C 3.55Å; N415-V449 WeakPolarHBondContact O-CA 3.38Å; N415-R450 HydrophobicContact CB-CG 4.1Å; N415-R450 WeakPolarHBondContact CB-O 3.22Å; N415-R450 PolarHBondContact ND2-O 3.35Å; N415-R450 WeakPolarHBondContact O-CG 3.3Å; N415-R450 PolarHBondContact O-N 3.14Å; N415-L495 HydrophobicContact CB-CD1 4.22Å
416	F	98.2	Very high	94.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.2	174.9	82.9	-81.3	0	0	0	111.8	L405 S414 Y432 I435 I436 V446 L448 V449 V486	L405-F416 HydrophobicContact CD1-CD1 3.81Å; L405-F416 HydrophobicContact CD1-CE1 3.56Å; S414-F416 PolarHBondContact O-N 3.42Å; S414-F416 WeakPolarHBondContact OG-CD1 3.38Å; S414-F416 WeakPolarHBondContact OG-CE1 3.44Å; S414-F416 PolarHBondContact OG-O 3.1Å; F416-Y432 HydrophobicContact CD1-CE2 4.4Å; F416-Y432 HydrophobicContact CD2-CE2 4.45Å; F416-Y432 HydrophobicContact CE1-CD2 4.23Å; F416-Y432 AromaticContact CE1-CE2 3.81Å; F416-Y432 HydrophobicContact CE1-CE2 3.81Å; F416-Y432 AromaticContact CE2-CD2 3.71Å; F416-Y432 HydrophobicContact CE2-CD2 3.71Å; F416-Y432 AromaticContact CE2-CE2 3.9Å; F416-Y432 HydrophobicContact CE2-CE2 3.9Å; F416-Y432 AromaticContact CZ-CD2 3.48Å; F416-Y432 HydrophobicContact CZ-CD2 3.48Å; F416-Y432 VanDerWaalsContact CZ-CD2 3.48Å; F416-Y432 AromaticContact CZ-CE2 3.54Å; F416-Y432 HydrophobicContact CZ-CE2 3.54Å; F416-I435 HydrophobicContact CE1-CG2 4.11Å; F416-I435 HydrophobicContact CZ-CB 4.25Å; F416-I435 HydrophobicContact CZ-CD1 4.49Å; F416-I435 HydrophobicContact CZ-CG2 3.73Å; F416-I436 HydrophobicContact CE1-CG2 3.86Å; F416-I436 HydrophobicContact CZ-CG2 4.26Å; F416-V446 HydrophobicContact CB-CG2 4.35Å; F416-V446 HydrophobicContact CD2-CB 4.11Å; F416-V446 HydrophobicContact CD2-CG1 3.68Å; F416-V446 HydrophobicContact CD2-CG2 4.32Å; F416-V446 HydrophobicContact CE2-CG1 3.99Å; F416-L448 VanDerWaalsContact CA-O 3.25Å; F416-L448 WeakPolarHBondContact CA-O 3.24Å; F416-L448 WeakPolarHBondContact CB-O 3.36Å; F416-V449 HydrophobicContact CB-CG1 4.29Å; F416-V486 HydrophobicContact CB-CB 4.26Å; F416-V486 HydrophobicContact CB-CG1 4.5Å; F416-V486 HydrophobicContact CB-CG2 4.38Å; F416-V486 HydrophobicContact CD1-CB 4.36Å; F416-V486 HydrophobicContact CD1-CG1 4.17Å; F416-V486 HydrophobicContact CD1-CG2 3.92Å; F416-V486 HydrophobicContact CD2-CG1 3.92Å; F416-V486 HydrophobicContact CE1-CG1 4.38Å; F416-V486 HydrophobicContact CE1-CG2 4.49Å; F416-V486 HydrophobicContact CE2-CG1 4.14Å; F416-V486 HydrophobicContact CG-CB 4.15Å; F416-V486 HydrophobicContact CG-CG1 3.93Å; F416-V486 HydrophobicContact CG-CG2 4.19Å; F416-V486 HydrophobicContact CZ-CG1 4.37Å
417	W	97.5	Very high	94.2	Very high	38 Å²	38	54.9 Å²	54.9	14%	0.144	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.5	168.4	-61.8	-5.2	0	0	0	109.4	L420 Y426 P447 L448 M471	W417-L420 HydrophobicContact CE3-CD2 3.58Å; W417-L420 HydrophobicContact CZ3-CD2 4Å; W417-Y426 HydrophobicContact CB-CD2 4.25Å; W417-Y426 AromaticContact CD1-CD2 3.58Å; W417-Y426 AromaticContact CD2-CD2 3.88Å; W417-Y426 HydrophobicContact CD2-CD2 3.88Å; W417-Y426 HydrophobicContact CD2-CG 4.5Å; W417-Y426 AromaticContact CE2-CD2 3.95Å; W417-Y426 AromaticContact CG-CD2 3.66Å; W417-Y426 HydrophobicContact CG-CD2 3.66Å; W417-Y426 HydrophobicContact CG-CE2 4.36Å; W417-Y426 VanDerWaalsContact CZ3-N 3.33Å; W417-Y426 AromaticContact NE1-CD2 3.76Å; W417-P447 WeakPolarHBondContact O-CD 3.46Å; W417-P447 VanDerWaalsContact O-CG 3.29Å; W417-P447 WeakPolarHBondContact O-CG 3.37Å; W417-L448 HydrophobicContact CB-CB 4.2Å; W417-L448 HydrophobicContact CD2-CB 4.36Å; W417-L448 HydrophobicContact CD2-CD1 4.15Å; W417-L448 HydrophobicContact CD2-CD2 4.22Å; W417-L448 HydrophobicContact CD2-CG 4.5Å; W417-L448 HydrophobicContact CE3-CB 4.37Å; W417-L448 HydrophobicContact CE3-CD1 3.97Å; W417-L448 HydrophobicContact CG-CB 4.3Å; W417-L448 HydrophobicContact CG-CD2 4.16Å; W417-L448 HydrophobicContact CH2-CD1 4.39Å; W417-L448 HydrophobicContact CZ3-CD1 4.1Å; W417-L448 PolarHBondContact N-O 3.2Å; W417-M471 HydrophobicContact CH2-CG 4.48Å; W417-M471 HydrophobicContact CH2-SD 4.33Å
418	G	96.1	Very high	94	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.031	33%	0.332	C	S	.	.	S	Bend	trans	-83.4	-24	178.8	0	0	0	0	0	114.2	S429	G418-S429 WeakPolarHBondContact CA-OG 3.34Å
419	A	95.8	Very high	93.9	Very high	22 Å²	22	60.2 Å²	60.2	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	168.7	179.8	0	0	0	0	0	111.2	A427	A419-A427 CarbonylContact C-O 3.49Å; A419-A427 HydrophobicContact CB-CB 4.04Å; A419-A427 PolarHBondContact N-O 3.13Å; A419-A427 PolarHBondContact O-N 3.46Å
420	L	94.5	Very high	93.9	Very high	28 Å²	28	62.7 Å²	62.7	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.7	171.9	-60	179.3	0	0	0	110.2	V248 W417 F425 A427 P447 R478	V248-L420 HydrophobicContact CG1-CG 4.44Å; V248-L420 HydrophobicContact CG2-CD1 4.22Å; W417-L420 HydrophobicContact CE3-CD2 3.58Å; W417-L420 HydrophobicContact CZ3-CD2 4Å; L420-F425 CarbonylContact C-O 3.57Å; L420-F425 VanDerWaalsContact CA-O 3.29Å; L420-F425 WeakPolarHBondContact CA-O 3.34Å; L420-A427 VanDerWaalsContact C-CB 3.48Å; L420-P447 HydrophobicContact CD1-CB 3.95Å; L420-P447 HydrophobicContact CD2-CB 4.11Å; L420-P447 HydrophobicContact CD2-CG 4.32Å; L420-P447 HydrophobicContact CG-CB 3.76Å; L420-P447 HydrophobicContact CG-CG 4.1Å; L420-R478 VanDerWaalsContact CD1-CZ 3.5Å
421	G	91.9	Very high	94.1	Very high	25 Å²	25	59.3 Å²	59.3	26%	0.258	32%	0.321	S	S	.	.			trans	-69.1	168.8	165.6	0	0	0	0	0	111.1	D423 G424 F425	G421-D423 PolarHBondContact O-N 3.1Å; G421-D423 VanDerWaalsContact O-N 3.14Å; G421-G424 PolarHBondContact O-N 2.95Å; G421-F425 PolarHBondContact N-O 3.44Å
422	T	87.3	Confident	94.4	Very high	165 Å²	165	55.2 Å²	55.2	100%	1.012	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.7	176.4	52.8	0	0	0	0	113.3
423	D	89.5	Confident	94.5	Very high	111 Å²	111	57.2 Å²	57.2	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.5	174.3	61.1	-4.7	0	0	0	113.4	G421 F425	G421-D423 PolarHBondContact O-N 3.1Å; G421-D423 VanDerWaalsContact O-N 3.14Å; D423-F425 HydrophobicContact CB-CD2 4.17Å; D423-F425 PolarHBondContact OD1-N 2.97Å
424	G	87.8	Confident	94.6	Very high	37 Å²	37	52.5 Å²	52.5	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	83.5	4.1	-177.6	0	0	0	0	0	115	G421	G421-G424 PolarHBondContact O-N 2.95Å
425	F	92.5	Very high	94.6	Very high	109 Å²	109	52 Å²	52	48%	0.478	29%	0.291	S	S	.	.	S	Bend	trans	-92	-177.3	177.2	-75.2	-89.6	0	0	0	112.1	L420 G421 D423 A427 M471	L420-F425 CarbonylContact C-O 3.57Å; L420-F425 VanDerWaalsContact CA-O 3.29Å; L420-F425 WeakPolarHBondContact CA-O 3.34Å; G421-F425 PolarHBondContact N-O 3.44Å; D423-F425 HydrophobicContact CB-CD2 4.17Å; D423-F425 PolarHBondContact OD1-N 2.97Å; F425-A427 PolarHBondContact O-N 3.34Å; F425-M471 HydrophobicContact CD1-SD 4Å; F425-M471 HydrophobicContact CE1-CE 4Å; F425-M471 HydrophobicContact CE1-SD 3.67Å; F425-M471 HydrophobicContact CZ-CE 4.48Å; F425-M471 HydrophobicContact CZ-SD 4.46Å
426	Y	94	Very high	94.6	Very high	76 Å²	76	52.9 Å²	52.9	30%	0.298	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	128	-177.3	173.6	-99.8	0	0	0	112.6	W417	W417-Y426 HydrophobicContact CB-CD2 4.25Å; W417-Y426 AromaticContact CD1-CD2 3.58Å; W417-Y426 AromaticContact CD2-CD2 3.88Å; W417-Y426 HydrophobicContact CD2-CD2 3.88Å; W417-Y426 HydrophobicContact CD2-CG 4.5Å; W417-Y426 AromaticContact CE2-CD2 3.95Å; W417-Y426 AromaticContact CG-CD2 3.66Å; W417-Y426 HydrophobicContact CG-CD2 3.66Å; W417-Y426 HydrophobicContact CG-CE2 4.36Å; W417-Y426 VanDerWaalsContact CZ3-N 3.33Å; W417-Y426 AromaticContact NE1-CD2 3.76Å
427	A	94.8	Very high	94.5	Very high	27 Å²	27	55.9 Å²	55.9	22%	0.223	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150	159.1	0	0	0	0	0	109.8	A419 L420 F425	A419-A427 CarbonylContact C-O 3.49Å; A419-A427 HydrophobicContact CB-CB 4.04Å; A419-A427 PolarHBondContact N-O 3.13Å; A419-A427 PolarHBondContact O-N 3.46Å; L420-A427 VanDerWaalsContact C-CB 3.48Å; F425-A427 PolarHBondContact O-N 3.34Å
428	R	95.1	Very high	94.5	Very high	153 Å²	153	58 Å²	58	58%	0.577	33%	0.325	S	S	*	.			trans	-83.5	123.6	174.5	-175	-176.1	-66.3	178.3	-1.2	109.3	Y432	R428-Y432 HydrophobicContact CG-CD1 4.14Å; R428-Y432 HydrophobicContact CG-CG 4.15Å
429	S	94.4	Very high	94.5	Very high	15 Å²	15	63.1 Å²	63.1	11%	0.105	35%	0.352	C	S	.	.			trans	-72.8	158.2	169	62.2	0	0	0	0	111.4	G418 D431 Y432	G418-S429 WeakPolarHBondContact CA-OG 3.34Å; S429-D431 WeakPolarHBondContact CB-OD1 3.2Å; S429-D431 PolarHBondContact O-N 2.93Å; S429-D431 PolarHBondContact OG-OD1 3.48Å; S429-Y432 WeakPolarHBondContact O-CB 3.2Å; S429-Y432 PolarHBondContact O-N 3.49Å; S429-Y432 PolarHBondContact OG-N 3.47Å
430	S	93.3	Very high	94.6	Very high	124 Å²	124	63.2 Å²	63.2	87%	0.867	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.2	-179.6	49.1	0	0	0	0	113.7
431	D	95.8	Very high	94.8	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.091	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-2.9	-177.6	54.9	2	0	0	0	113.8	Y256 S429 M433 D434 I435 I440	Y256-D431 WeakPolarHBondContact OH-CB 3.38Å; Y256-D431 PolarHBondContact OH-OD2 2.9Å; S429-D431 WeakPolarHBondContact CB-OD1 3.2Å; S429-D431 PolarHBondContact O-N 2.93Å; S429-D431 PolarHBondContact OG-OD1 3.48Å; D431-M433 VanDerWaalsContact C-N 3.32Å; D431-M433 PolarHBondContact O-N 2.79Å; D431-D434 PolarHBondContact O-N 3.22Å; D431-D434 VanDerWaalsContact O-N 3.08Å; D431-I435 HydrophobicContact CB-CD1 4.39Å; D431-I435 WeakPolarHBondContact O-CG1 3.29Å; D431-I435 PolarHBondContact O-N 2.95Å; D431-I440 HydrophobicContact CB-CD1 4.18Å
432	Y	97.7	Very high	95	Very high	3 Å²	3	63 Å²	63	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-54.8	-46.2	-174.6	-178	-98.4	0	0	0	112.8	A412 S414 F416 R428 S429 D434 I435 I436	A412-Y432 PolarHBondContact O-OH 2.97Å; S414-Y432 WeakPolarHBondContact CB-OH 3.48Å; S414-Y432 PolarHBondContact N-OH 3.34Å; S414-Y432 PolarHBondContact OG-OH 3.17Å; F416-Y432 HydrophobicContact CD1-CE2 4.4Å; F416-Y432 HydrophobicContact CD2-CE2 4.45Å; F416-Y432 HydrophobicContact CE1-CD2 4.23Å; F416-Y432 AromaticContact CE1-CE2 3.81Å; F416-Y432 HydrophobicContact CE1-CE2 3.81Å; F416-Y432 AromaticContact CE2-CD2 3.71Å; F416-Y432 HydrophobicContact CE2-CD2 3.71Å; F416-Y432 AromaticContact CE2-CE2 3.9Å; F416-Y432 HydrophobicContact CE2-CE2 3.9Å; F416-Y432 AromaticContact CZ-CD2 3.48Å; F416-Y432 HydrophobicContact CZ-CD2 3.48Å; F416-Y432 VanDerWaalsContact CZ-CD2 3.48Å; F416-Y432 AromaticContact CZ-CE2 3.54Å; F416-Y432 HydrophobicContact CZ-CE2 3.54Å; R428-Y432 HydrophobicContact CG-CD1 4.14Å; R428-Y432 HydrophobicContact CG-CG 4.15Å; S429-Y432 WeakPolarHBondContact O-CB 3.2Å; S429-Y432 PolarHBondContact O-N 3.49Å; S429-Y432 PolarHBondContact OG-N 3.47Å; Y432-D434 VanDerWaalsContact C-N 3.31Å; Y432-D434 PolarHBondContact O-N 3.44Å; Y432-I435 PolarHBondContact O-N 3.03Å; Y432-I436 HydrophobicContact CD1-CD1 4.32Å; Y432-I436 HydrophobicContact CD1-CG2 4.44Å; Y432-I436 HydrophobicContact CE1-CD1 3.95Å; Y432-I436 HydrophobicContact CE1-CG2 4.08Å; Y432-I436 HydrophobicContact CE2-CG2 4.24Å; Y432-I436 WeakPolarHBondContact O-CG1 3.48Å; Y432-I436 WeakPolarHBondContact O-CG2 3.44Å; Y432-I436 PolarHBondContact O-N 3.03Å
433	M	97.7	Very high	95.6	Very high	75 Å²	75	55.2 Å²	55.2	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-35.2	-178.5	-67.4	-56.7	-56.7	0	0	112.1	A412 D431 I436 S437	A412-M433 HydrophobicContact CB-SD 4.42Å; D431-M433 VanDerWaalsContact C-N 3.32Å; D431-M433 PolarHBondContact O-N 2.79Å; M433-I436 HydrophobicContact CE-CD1 3.94Å; M433-I436 HydrophobicContact CE-CG1 4.5Å; M433-I436 WeakPolarHBondContact O-CG1 3.17Å; M433-I436 HydrophobicContact SD-CD1 3.89Å; M433-S437 WeakPolarHBondContact O-CB 3.07Å; M433-S437 PolarHBondContact O-N 2.78Å; M433-S437 PolarHBondContact O-OG 2.73Å
434	D	97.4	Very high	96	Very high	62 Å²	62	50 Å²	50	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-71.5	-37.5	178.8	-67.6	-45.2	0	0	0	111.4	D431 Y432 Y438 N439 I440	D431-D434 PolarHBondContact O-N 3.22Å; D431-D434 VanDerWaalsContact O-N 3.08Å; Y432-D434 VanDerWaalsContact C-N 3.31Å; Y432-D434 PolarHBondContact O-N 3.44Å; D434-Y438 PolarHBondContact O-N 2.99Å; D434-N439 HydrophobicContact CB-CB 3.93Å; D434-N439 PolarHBondContact O-N 2.9Å; D434-N439 PolarHBondContact OD1-ND2 3.04Å; D434-I440 HydrophobicContact CB-CD1 4Å; D434-I440 HydrophobicContact CB-CG1 3.89Å; D434-I440 HydrophobicContact CB-CG2 4.47Å; D434-I440 PolarHBondContact O-N 2.81Å
435	I	98	Very high	96.5	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-51.4	174.1	-65.8	170.3	0	0	0	110.4	F416 D431 Y432 S437 Y438 I440 W444 N488	F416-I435 HydrophobicContact CE1-CG2 4.11Å; F416-I435 HydrophobicContact CZ-CB 4.25Å; F416-I435 HydrophobicContact CZ-CD1 4.49Å; F416-I435 HydrophobicContact CZ-CG2 3.73Å; D431-I435 HydrophobicContact CB-CD1 4.39Å; D431-I435 WeakPolarHBondContact O-CG1 3.29Å; D431-I435 PolarHBondContact O-N 2.95Å; Y432-I435 PolarHBondContact O-N 3.03Å; I435-S437 VanDerWaalsContact C-N 3.28Å; I435-S437 PolarHBondContact O-N 3.13Å; I435-Y438 PolarHBondContact O-N 3.36Å; I435-I440 HydrophobicContact CG1-CD1 3.99Å; I435-I440 HydrophobicContact CG1-CG1 4Å; I435-W444 HydrophobicContact CD1-CB 4.4Å; I435-W444 HydrophobicContact CD1-CD2 3.87Å; I435-W444 HydrophobicContact CD1-CE3 4.3Å; I435-W444 HydrophobicContact CD1-CG 3.89Å; I435-W444 HydrophobicContact CG1-CD2 4.16Å; I435-W444 HydrophobicContact CG1-CG 4.38Å; I435-W444 HydrophobicContact CG1-CZ2 4.41Å; I435-N488 HydrophobicContact CG2-CB 4.48Å; I435-N488 PolarHBondContact O-ND2 3.07Å
436	I	97.4	Very high	96.7	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-70	-25.8	-176.2	68.2	169.5	0	0	0	113.4	L405 T407 A412 F416 Y432 M433 Y438	L405-I436 HydrophobicContact CD1-CG2 4.24Å; T407-I436 HydrophobicContact CG2-CB 4.14Å; T407-I436 HydrophobicContact CG2-CG2 4.31Å; A412-I436 HydrophobicContact CB-CD1 3.83Å; F416-I436 HydrophobicContact CE1-CG2 3.86Å; F416-I436 HydrophobicContact CZ-CG2 4.26Å; Y432-I436 HydrophobicContact CD1-CD1 4.32Å; Y432-I436 HydrophobicContact CD1-CG2 4.44Å; Y432-I436 HydrophobicContact CE1-CD1 3.95Å; Y432-I436 HydrophobicContact CE1-CG2 4.08Å; Y432-I436 HydrophobicContact CE2-CG2 4.24Å; Y432-I436 WeakPolarHBondContact O-CG1 3.48Å; Y432-I436 WeakPolarHBondContact O-CG2 3.44Å; Y432-I436 PolarHBondContact O-N 3.03Å; M433-I436 HydrophobicContact CE-CD1 3.94Å; M433-I436 HydrophobicContact CE-CG1 4.5Å; M433-I436 WeakPolarHBondContact O-CG1 3.17Å; M433-I436 HydrophobicContact SD-CD1 3.89Å; I436-Y438 VanDerWaalsContact C-N 3.33Å
437	S	96.6	Very high	96.9	Very high	63 Å²	63	40.4 Å²	40.4	44%	0.441	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.7	179.1	-49.6	0	0	0	0	112.7	M433 I435 N439	M433-S437 WeakPolarHBondContact O-CB 3.07Å; M433-S437 PolarHBondContact O-N 2.78Å; M433-S437 PolarHBondContact O-OG 2.73Å; I435-S437 VanDerWaalsContact C-N 3.28Å; I435-S437 PolarHBondContact O-N 3.13Å; S437-N439 PolarHBondContact O-N 3.11Å
438	Y	96.9	Very high	97	Very high	82 Å²	82	39.2 Å²	39.2	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	25.3	-175.2	-65	-100.5	0	0	0	113.9	L405 D434 I435 I436 I440 T441 N488 M490	L405-Y438 HydrophobicContact CD2-CE2 3.87Å; D434-Y438 PolarHBondContact O-N 2.99Å; I435-Y438 PolarHBondContact O-N 3.36Å; I436-Y438 VanDerWaalsContact C-N 3.33Å; Y438-I440 VanDerWaalsContact C-N 3.28Å; Y438-T441 HydrophobicContact CD1-CG2 3.99Å; Y438-N488 HydrophobicContact CD1-CB 4.33Å; Y438-N488 VanDerWaalsContact CD1-O 3.23Å; Y438-N488 WeakPolarHBondContact CD1-O 3.38Å; Y438-N488 HydrophobicContact CE1-CB 3.96Å; Y438-N488 WeakPolarHBondContact CE1-O 3.45Å; Y438-M490 WeakPolarHBondContact CE1-O 3.23Å; Y438-M490 PolarHBondContact OH-O 3.06Å
439	N	97.1	Very high	97.1	Very high	110 Å²	110	32.2 Å²	32.2	59%	0.588	18%	0.183	S	C	*	.	S	Bend	trans	-68.5	-33.6	172	-68.2	-19.9	0	0	0	111	D434 S437	D434-N439 HydrophobicContact CB-CB 3.93Å; D434-N439 PolarHBondContact O-N 2.9Å; D434-N439 PolarHBondContact OD1-ND2 3.04Å; S437-N439 PolarHBondContact O-N 3.11Å
440	I	96.9	Very high	97.2	Very high	25 Å²	25	35.5 Å²	35.5	13%	0.128	19%	0.193	C	C	.	.	S	Bend	trans	-125.6	135.7	168.2	64.7	-177.2	0	0	0	108.3	W261 D431 D434 I435 Y438 W444 N488	W261-I440 HydrophobicContact CH2-CB 4.48Å; W261-I440 HydrophobicContact CH2-CG2 3.8Å; W261-I440 HydrophobicContact CZ2-CB 3.76Å; W261-I440 HydrophobicContact CZ2-CG2 3.49Å; W261-I440 VanDerWaalsContact CZ2-CG2 3.49Å; D431-I440 HydrophobicContact CB-CD1 4.18Å; D434-I440 HydrophobicContact CB-CD1 4Å; D434-I440 HydrophobicContact CB-CG1 3.89Å; D434-I440 HydrophobicContact CB-CG2 4.47Å; D434-I440 PolarHBondContact O-N 2.81Å; I435-I440 HydrophobicContact CG1-CD1 3.99Å; I435-I440 HydrophobicContact CG1-CG1 4Å; Y438-I440 VanDerWaalsContact C-N 3.28Å; I440-W444 HydrophobicContact CB-CH2 4.14Å; I440-W444 HydrophobicContact CB-CZ2 4.06Å; I440-W444 HydrophobicContact CD1-CH2 3.55Å; I440-W444 HydrophobicContact CD1-CZ2 3.87Å; I440-W444 HydrophobicContact CD1-CZ3 4.16Å; I440-W444 HydrophobicContact CG1-CH2 3.82Å; I440-W444 HydrophobicContact CG1-CZ2 3.65Å; I440-N488 PolarHBondContact O-ND2 3.16Å
441	T	97.8	Very high	97.4	Very high	46 Å²	46	29.7 Å²	29.7	28%	0.282	15%	0.152	S	C	.	.			trans	-120.5	147.5	179.5	60.3	0	0	0	0	111.5	W261 Y438 N488	W261-T441 PolarHBondContact NE1-O 3.45Å; Y438-T441 HydrophobicContact CD1-CG2 3.99Å; T441-N488 VanDerWaalsContact CA-OD1 3.31Å; T441-N488 WeakPolarHBondContact CA-OD1 3.5Å; T441-N488 WeakPolarHBondContact CG2-O 3.41Å
442	G	98	Very high	97.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	162.9	-162.9	-179.1	0	0	0	0	0	113.5	W444 N488	G442-W444 PolarHBondContact O-NE1 3.13Å; G442-N488 PolarHBondContact N-OD1 3.22Å; G442-N488 PolarHBondContact O-N 3.03Å; G442-N488 VanDerWaalsContact O-N 3.09Å; G442-N488 PolarHBondContact O-OD1 2.88Å
443	I	98	Very high	97.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118	172.1	-63.8	169.9	0	0	0	107.4	Q269 C270 M397 I402 F485 V486 D487	Q269-I443 PolarHBondContact NE2-O 2.56Å; C270-I443 HydrophobicContact CB-CD1 4.29Å; C270-I443 VanDerWaalsContact SG-CG1 3.57Å; C270-I443 PolarHBondContact SG-N 2.87Å; C270-I443 VanDerWaalsContact SG-N 3.37Å; M397-I443 HydrophobicContact CB-CD1 4.12Å; M397-I443 HydrophobicContact CG-CD1 3.93Å; M397-I443 HydrophobicContact SD-CD1 3.72Å; I402-I443 HydrophobicContact CD1-CD1 4.34Å; I402-I443 HydrophobicContact CD1-CG1 4.49Å; I402-I443 HydrophobicContact CD1-CG2 4.36Å; I443-F485 HydrophobicContact CG2-CB 3.67Å; I443-F485 HydrophobicContact CG2-CD1 3.61Å; I443-F485 HydrophobicContact CG2-CE1 4.46Å; I443-F485 HydrophobicContact CG2-CG 3.84Å; I443-V486 WeakPolarHBondContact CA-O 3.35Å; I443-D487 HydrophobicContact CG1-CB 4.49Å
444	W	98.1	Very high	97.6	Very high	2 Å²	2	26 Å²	26	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.9	-169	-49.2	93.4	0	0	0	110.7	N255 Y256 W261 I435 I440 G442 V446 F485 V486 N488	N255-W444 HydrophobicContact CB-CE3 3.97Å; N255-W444 HydrophobicContact CB-CZ3 4.35Å; Y256-W444 HydrophobicContact CE1-CH2 4.25Å; Y256-W444 AromaticContact CE1-CZ3 3.7Å; Y256-W444 HydrophobicContact CE1-CZ3 3.7Å; Y256-W444 HydrophobicContact CE2-CZ3 4.48Å; Y256-W444 AromaticContact CZ-CZ3 3.68Å; W261-W444 AromaticContact CD1-CH2 3.64Å; W261-W444 HydrophobicContact CD2-CH2 4.18Å; W261-W444 AromaticContact CG-CH2 3.98Å; W261-W444 HydrophobicContact CG-CH2 3.98Å; W261-W444 HydrophobicContact CG-CZ3 4.39Å; W261-W444 AromaticContact NE1-CH2 3.69Å; I435-W444 HydrophobicContact CD1-CB 4.4Å; I435-W444 HydrophobicContact CD1-CD2 3.87Å; I435-W444 HydrophobicContact CD1-CE3 4.3Å; I435-W444 HydrophobicContact CD1-CG 3.89Å; I435-W444 HydrophobicContact CG1-CD2 4.16Å; I435-W444 HydrophobicContact CG1-CG 4.38Å; I435-W444 HydrophobicContact CG1-CZ2 4.41Å; I440-W444 HydrophobicContact CB-CH2 4.14Å; I440-W444 HydrophobicContact CB-CZ2 4.06Å; I440-W444 HydrophobicContact CD1-CH2 3.55Å; I440-W444 HydrophobicContact CD1-CZ2 3.87Å; I440-W444 HydrophobicContact CD1-CZ3 4.16Å; I440-W444 HydrophobicContact CG1-CH2 3.82Å; I440-W444 HydrophobicContact CG1-CZ2 3.65Å; G442-W444 PolarHBondContact O-NE1 3.13Å; W444-V446 HydrophobicContact CB-CG1 4.15Å; W444-V446 PolarHBondContact O-N 2.93Å; W444-F485 CarbonylContact O-C 3.53Å; W444-F485 WeakPolarHBondContact O-CA 3.35Å; W444-V486 HydrophobicContact CB-CG1 3.92Å; W444-V486 HydrophobicContact CG-CG1 4.4Å; W444-V486 PolarHBondContact N-O 3.34Å; W444-V486 PolarHBondContact O-N 3.28Å; W444-N488 PolarHBondContact NE1-OD1 3.28Å
445	N	98.1	Very high	97.6	Very high	8 Å²	8	23 Å²	23	4%	0.043	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	118.1	170.2	-170.8	-7.7	0	0	0	109.1	N255 F483 M484 F485	N255-N445 PolarHBondContact ND2-N 2.84Å; N255-N445 PolarHBondContact ND2-O 2.99Å; N255-N445 VanDerWaalsContact OD1-CB 3.22Å; N255-N445 WeakPolarHBondContact OD1-CB 3.5Å; N255-N445 PolarHBondContact OD1-N 3.43Å; N445-F483 WeakPolarHBondContact ND2-CD2 3.32Å; N445-F483 WeakPolarHBondContact ND2-CE2 3.43Å; N445-F483 VanDerWaalsContact ND2-CG 3.28Å; N445-F483 WeakPolarHBondContact ND2-CG 3.49Å; N445-M484 WeakPolarHBondContact CA-O 3.41Å; N445-M484 PolarHBondContact OD1-O 2.48Å; N445-F485 HydrophobicContact CB-CD1 4.01Å; N445-F485 HydrophobicContact CB-CE1 3.78Å
446	V	98.1	Very high	97.6	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.3	-171.2	-69.3	0	0	0	0	111	F416 W444 L448 V449 M484 V486	F416-V446 HydrophobicContact CB-CG2 4.35Å; F416-V446 HydrophobicContact CD2-CB 4.11Å; F416-V446 HydrophobicContact CD2-CG1 3.68Å; F416-V446 HydrophobicContact CD2-CG2 4.32Å; F416-V446 HydrophobicContact CE2-CG1 3.99Å; W444-V446 HydrophobicContact CB-CG1 4.15Å; W444-V446 PolarHBondContact O-N 2.93Å; V446-L448 VanDerWaalsContact C-N 3.27Å; V446-L448 PolarHBondContact O-N 3.33Å; V446-V449 HydrophobicContact CG2-CG1 3.63Å; V446-M484 PolarHBondContact N-O 3.27Å; V446-V486 HydrophobicContact CG1-CG1 3.82Å; V446-V486 HydrophobicContact CG2-CB 4.28Å; V446-V486 HydrophobicContact CG2-CG1 4.17Å
447	P	97.5	Very high	97.6	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.032	12%	0.123	C	C	.	.	S	Bend	trans	-68.3	-19.6	-176.5	22.7	-34.6	0	0	0	115.5	V248 W417 L420 R478 M484	V248-P447 HydrophobicContact CG1-CB 3.87Å; V248-P447 HydrophobicContact CG1-CG 4.15Å; W417-P447 WeakPolarHBondContact O-CD 3.46Å; W417-P447 VanDerWaalsContact O-CG 3.29Å; W417-P447 WeakPolarHBondContact O-CG 3.37Å; L420-P447 HydrophobicContact CD1-CB 3.95Å; L420-P447 HydrophobicContact CD2-CB 4.11Å; L420-P447 HydrophobicContact CD2-CG 4.32Å; L420-P447 HydrophobicContact CG-CB 3.76Å; L420-P447 HydrophobicContact CG-CG 4.1Å; P447-R478 PolarHBondContact O-NH1 2.84Å; P447-M484 WeakPolarHBondContact O-CE 3.32Å
448	L	97.1	Very high	97.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	137.6	-178.3	-175.8	149	0	0	0	110.9	F416 W417 V446 R450 E470 A474	F416-L448 VanDerWaalsContact CA-O 3.25Å; F416-L448 WeakPolarHBondContact CA-O 3.24Å; F416-L448 WeakPolarHBondContact CB-O 3.36Å; W417-L448 HydrophobicContact CB-CB 4.2Å; W417-L448 HydrophobicContact CD2-CB 4.36Å; W417-L448 HydrophobicContact CD2-CD1 4.15Å; W417-L448 HydrophobicContact CD2-CD2 4.22Å; W417-L448 HydrophobicContact CD2-CG 4.5Å; W417-L448 HydrophobicContact CE3-CB 4.37Å; W417-L448 HydrophobicContact CE3-CD1 3.97Å; W417-L448 HydrophobicContact CG-CB 4.3Å; W417-L448 HydrophobicContact CG-CD2 4.16Å; W417-L448 HydrophobicContact CH2-CD1 4.39Å; W417-L448 HydrophobicContact CZ3-CD1 4.1Å; W417-L448 PolarHBondContact N-O 3.2Å; V446-L448 VanDerWaalsContact C-N 3.27Å; V446-L448 PolarHBondContact O-N 3.33Å; L448-R450 HydrophobicContact CD2-CB 4.4Å; L448-R450 HydrophobicContact CD2-CG 4.38Å; L448-E470 HydrophobicContact CD1-CG 4.42Å; L448-E470 HydrophobicContact CD2-CG 4.49Å; L448-A474 HydrophobicContact CB-CB 4.12Å; L448-A474 HydrophobicContact CD1-CB 3.94Å; L448-A474 HydrophobicContact CG-CB 3.94Å
449	V	97.7	Very high	97.6	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.036	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154	167.2	-62.9	0	0	0	0	109.9	I401 A403 N415 F416 V446 Y453 M484	I401-V449 HydrophobicContact CG2-CG2 3.73Å; A403-V449 HydrophobicContact CB-CB 3.76Å; A403-V449 HydrophobicContact CB-CG1 3.8Å; A403-V449 HydrophobicContact CB-CG2 4.34Å; N415-V449 CarbonylContact O-C 3.55Å; N415-V449 WeakPolarHBondContact O-CA 3.38Å; F416-V449 HydrophobicContact CB-CG1 4.29Å; V446-V449 HydrophobicContact CG2-CG1 3.63Å; V449-Y453 HydrophobicContact CG2-CG 4.42Å; V449-M484 HydrophobicContact CG1-CB 4.22Å; V449-M484 HydrophobicContact CG2-CB 4.1Å; V449-M484 HydrophobicContact CG2-CG 4.21Å; V449-M484 HydrophobicContact CG2-SD 4.36Å
450	R	96.1	Very high	97.6	Very high	84 Å²	84	16 Å²	16	32%	0.317	7%	0.073	S	C	.	.			trans	-150.3	176.9	-178.2	58.9	177.8	-76.2	151.6	-8.1	112.6	N415 L448 A452 E470	N415-R450 HydrophobicContact CB-CG 4.1Å; N415-R450 WeakPolarHBondContact CB-O 3.22Å; N415-R450 PolarHBondContact ND2-O 3.35Å; N415-R450 WeakPolarHBondContact O-CG 3.3Å; N415-R450 PolarHBondContact O-N 3.14Å; L448-R450 HydrophobicContact CD2-CB 4.4Å; L448-R450 HydrophobicContact CD2-CG 4.38Å; R450-A452 PolarHBondContact O-N 3.45Å; R450-E470 VanDerWaalsContact CB-CD 3.48Å; R450-E470 HydrophobicContact CB-CG 4.16Å; R450-E470 WeakPolarHBondContact CB-OE2 3.17Å; R450-E470 WeakPolarHBondContact CD-OE1 3.21Å; R450-E470 WeakPolarHBondContact CD-OE2 3.3Å; R450-E470 IonicContact CZ-OE1 2.74Å; R450-E470 IonicContact CZ-OE2 3.32Å; R450-E470 VanDerWaalsContact CZ-OE2 3.31Å; R450-E470 IonicContact NE-OE1 3.88Å; R450-E470 IonicContact NE-OE2 3.64Å; R450-E470 PolarHBondContact NE-OE2 3.44Å; R450-E470 IonicContact NH1-OE1 3.76Å; R450-E470 PolarHBondContact NH1-OE1 3.12Å; R450-E470 IonicContact NH1-OE2 3.26Å; R450-E470 PolarHBondContact NH1-OE2 3Å; R450-E470 VanDerWaalsContact NH1-OE2 3.15Å
451	S	96.8	Very high	97.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	10%	0.095	C	C	.	.	S	Bend	trans	63.1	-39.2	169	-55.4	0	0	0	0	118.1	D380	D380-S451 WeakPolarHBondContact CB-O 3.32Å; D380-S451 PolarHBondContact N-O 2.87Å; D380-S451 WeakPolarHBondContact OD2-CA 3.34Å
452	A	98.3	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	123.1	168.4	0	0	0	0	0	108.4	A378 A383 A403 P404 L406 R450	A378-A452 CarbonylContact O-C 3.56Å; A378-A452 VanDerWaalsContact O-CA 3.26Å; A378-A452 WeakPolarHBondContact O-CA 3.29Å; A383-A452 HydrophobicContact CB-CB 3.99Å; A403-A452 WeakPolarHBondContact CA-O 3.4Å; A403-A452 VanDerWaalsContact CB-O 3.24Å; A403-A452 WeakPolarHBondContact CB-O 3.43Å; P404-A452 WeakPolarHBondContact CD-O 3.35Å; P404-A452 HydrophobicContact CG-CB 4.09Å; L406-A452 HydrophobicContact CD1-CB 3.75Å; R450-A452 PolarHBondContact O-N 3.45Å
453	Y	98.6	Very high	97.2	Very high	16 Å²	16	22.7 Å²	22.7	6%	0.063	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	143.3	176.2	53.4	-87.8	0	0	0	112	F364 A378 I401 I402 V449	F364-Y453 HydrophobicContact CZ-CE2 4.32Å; A378-Y453 HydrophobicContact CB-CD2 4.24Å; A378-Y453 HydrophobicContact CB-CE1 4.19Å; A378-Y453 HydrophobicContact CB-CE2 3.82Å; A378-Y453 PolarHBondContact N-O 2.82Å; A378-Y453 PolarHBondContact O-N 2.76Å; I401-Y453 HydrophobicContact CG2-CD2 4.28Å; I402-Y453 CarbonylContact O-C 3.59Å; I402-Y453 WeakPolarHBondContact O-CA 3.46Å; V449-Y453 HydrophobicContact CG2-CG 4.42Å
454	L	98.7	Very high	96.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128	169.3	-171	76.3	0	0	0	108.6	V286 Y375 V376 F377 L391 L394 V395 I401 I402	V286-L454 HydrophobicContact CG1-CD1 4.37Å; Y375-L454 HydrophobicContact CD1-CD1 4.38Å; Y375-L454 HydrophobicContact CD1-CD2 3.86Å; Y375-L454 HydrophobicContact CD1-CG 3.91Å; Y375-L454 HydrophobicContact CE1-CD2 4.31Å; Y375-L454 HydrophobicContact CG-CD1 4.11Å; Y375-L454 HydrophobicContact CG-CD2 4.13Å; Y375-L454 HydrophobicContact CG-CG 4.14Å; V376-L454 CarbonylContact O-C 3.46Å; V376-L454 WeakPolarHBondContact O-CA 3.44Å; F377-L454 HydrophobicContact CB-CD1 3.84Å; F377-L454 HydrophobicContact CD2-CB 4.3Å; F377-L454 HydrophobicContact CD2-CD1 4.38Å; F377-L454 HydrophobicContact CG-CD1 4.45Å; L391-L454 HydrophobicContact CD1-CD1 3.82Å; L394-L454 HydrophobicContact CB-CB 4.3Å; L394-L454 HydrophobicContact CB-CD2 4.08Å; V395-L454 HydrophobicContact CB-CD2 4.31Å; V395-L454 HydrophobicContact CG2-CD1 4.21Å; V395-L454 HydrophobicContact CG2-CD2 3.67Å; I401-L454 CarbonylContact C-O 3.52Å; I401-L454 VanDerWaalsContact CA-O 3.3Å; I401-L454 WeakPolarHBondContact CA-O 3.45Å; I402-L454 HydrophobicContact CG2-CB 3.96Å; I402-L454 HydrophobicContact CG2-CD2 4.35Å; I402-L454 PolarHBondContact N-O 3.4Å; I402-L454 PolarHBondContact O-N 2.98Å
455	I	98.3	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.7	175.7	-177.8	174.2	0	0	0	110.4	F364 Y375 V376 S400 I401 A459 I460 L463 F473	F364-I455 HydrophobicContact CE1-CG2 3.97Å; F364-I455 HydrophobicContact CZ-CG2 4.39Å; Y375-I455 CarbonylContact C-O 3.08Å; Y375-I455 VanDerWaalsContact CA-O 3.29Å; Y375-I455 WeakPolarHBondContact CA-O 3.34Å; V376-I455 HydrophobicContact CB-CG2 3.77Å; V376-I455 HydrophobicContact CG1-CG2 4.42Å; V376-I455 PolarHBondContact N-O 3.27Å; V376-I455 WeakPolarHBondContact O-CG2 3.43Å; V376-I455 PolarHBondContact O-N 3.39Å; S400-I455 WeakPolarHBondContact O-CA 3.23Å; I401-I455 HydrophobicContact CD1-CD1 4.18Å; I401-I455 HydrophobicContact CD1-CG1 4.43Å; I401-I455 HydrophobicContact CG1-CB 4.16Å; I401-I455 HydrophobicContact CG1-CD1 4.02Å; I401-I455 HydrophobicContact CG1-CG1 3.73Å; I455-A459 HydrophobicContact CD1-CB 4Å; I455-A459 HydrophobicContact CG1-CB 3.61Å; I455-I460 HydrophobicContact CD1-CG1 3.81Å; I455-I460 HydrophobicContact CG1-CG1 3.87Å; I455-I460 HydrophobicContact CG2-CD1 4.12Å; I455-I460 HydrophobicContact CG2-CG1 3.95Å; I455-L463 HydrophobicContact CD1-CD1 4.39Å; I455-F473 HydrophobicContact CD1-CE2 4.31Å; I455-F473 HydrophobicContact CD1-CZ 3.82Å
456	S	98.1	Very high	95.2	Very high	15 Å²	15	31.1 Å²	31.1	11%	0.105	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	151.6	178.5	81	0	0	0	0	112	S400 W458 A459 I460	S400-S456 PolarHBondContact O-N 2.58Å; S456-W458 PolarHBondContact O-N 3.13Å; S456-W458 VanDerWaalsContact O-N 3.16Å; S456-A459 PolarHBondContact O-N 3.06Å; S456-A459 PolarHBondContact OG-N 3.03Å; S456-A459 VanDerWaalsContact OG-N 3.16Å; S456-I460 WeakPolarHBondContact O-CG1 3.48Å; S456-I460 PolarHBondContact O-N 2.67Å
457	R	97.7	Very high	94.1	Very high	34 Å²	34	32.9 Å²	32.9	13%	0.128	15%	0.151	C	C	.	.	H	α-helix	trans	-53.5	-36.1	173.2	-172.7	-170.2	-171.4	71.5	2	112.2	C367 L368 I370 C373 K374 R461	C367-R457 PolarHBondContact O-NH1 3.34Å; L368-R457 HydrophobicContact CD2-CG 3.98Å; L368-R457 PolarHBondContact O-NH2 2.84Å; I370-R457 PolarHBondContact O-NH1 3.18Å; C373-R457 VanDerWaalsContact O-CD 3.3Å; C373-R457 WeakPolarHBondContact O-CD 3.33Å; C373-R457 PolarHBondContact O-NH1 2.96Å; C373-R457 VanDerWaalsContact O-NH1 3.13Å; K374-R457 WeakPolarHBondContact O-CB 3.42Å; K374-R457 PolarHBondContact O-N 3.16Å; R457-R461 WeakPolarHBondContact O-CG 3.42Å; R457-R461 PolarHBondContact O-N 2.81Å; R457-R461 VanDerWaalsContact O-N 3.1Å
458	W	96.3	Very high	92.7	Very high	79 Å²	79	33 Å²	33	30%	0.299	15%	0.151	S	C	.	.	H	α-helix	trans	-63.5	-49.4	176.7	172	86.8	0	0	0	111.1	N36 S400 S456 I460 R461 K462 V482	N36-W458 HydrophobicContact CB-CH2 4Å; N36-W458 HydrophobicContact CB-CZ2 3.95Å; S400-W458 VanDerWaalsContact OG-CZ3 3.28Å; S400-W458 WeakPolarHBondContact OG-CZ3 3.26Å; S456-W458 PolarHBondContact O-N 3.13Å; S456-W458 VanDerWaalsContact O-N 3.16Å; W458-I460 VanDerWaalsContact C-N 3.34Å; W458-I460 PolarHBondContact O-N 2.66Å; W458-R461 PolarHBondContact O-N 2.81Å; W458-K462 HydrophobicContact CZ2-CG 4.28Å; W458-K462 PolarHBondContact O-N 2.97Å; W458-V482 HydrophobicContact CH2-CG2 3.91Å; W458-V482 HydrophobicContact CZ3-CB 4.41Å; W458-V482 HydrophobicContact CZ3-CG1 4.15Å; W458-V482 HydrophobicContact CZ3-CG2 3.91Å
459	A	97.2	Very high	92	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-40.6	177.6	0	0	0	0	0	111.7	I401 I455 S456 R461 K462 L463 V482	I401-A459 HydrophobicContact CG1-CB 4.28Å; I455-A459 HydrophobicContact CD1-CB 4Å; I455-A459 HydrophobicContact CG1-CB 3.61Å; S456-A459 PolarHBondContact O-N 3.06Å; S456-A459 PolarHBondContact OG-N 3.03Å; S456-A459 VanDerWaalsContact OG-N 3.16Å; A459-R461 VanDerWaalsContact C-N 3.35Å; A459-R461 PolarHBondContact O-N 3.37Å; A459-K462 WeakPolarHBondContact O-CB 3.36Å; A459-K462 PolarHBondContact O-N 3.34Å; A459-L463 WeakPolarHBondContact O-CG 3.39Å; A459-L463 PolarHBondContact O-N 3.3Å; A459-L463 VanDerWaalsContact O-N 3.09Å; A459-V482 HydrophobicContact CB-CG1 3.71Å
460	I	96.3	Very high	91.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.6	-47.8	174.3	-65.3	168.5	0	0	0	110.9	F364 C367 L368 V376 I455 S456 W458 K462 L463 I464	F364-I460 HydrophobicContact CB-CG2 3.79Å; F364-I460 HydrophobicContact CG-CG1 4.48Å; F364-I460 HydrophobicContact CG-CG2 4.39Å; C367-I460 HydrophobicContact CB-CD1 4.4Å; L368-I460 HydrophobicContact CD1-CG2 3.86Å; L368-I460 HydrophobicContact CD2-CB 4.39Å; L368-I460 HydrophobicContact CD2-CG2 3.91Å; L368-I460 HydrophobicContact CG-CG2 3.78Å; V376-I460 HydrophobicContact CB-CD1 4.02Å; V376-I460 HydrophobicContact CG2-CD1 3.45Å; V376-I460 VanDerWaalsContact CG2-CD1 3.45Å; I455-I460 HydrophobicContact CD1-CG1 3.81Å; I455-I460 HydrophobicContact CG1-CG1 3.87Å; I455-I460 HydrophobicContact CG2-CD1 4.12Å; I455-I460 HydrophobicContact CG2-CG1 3.95Å; S456-I460 WeakPolarHBondContact O-CG1 3.48Å; S456-I460 PolarHBondContact O-N 2.67Å; W458-I460 VanDerWaalsContact C-N 3.34Å; W458-I460 PolarHBondContact O-N 2.66Å; I460-K462 PolarHBondContact O-N 2.04Å; I460-K462 VanDerWaalsContact O-N 3.15Å; I460-L463 PolarHBondContact O-N 2.76Å; I460-I464 HydrophobicContact CG2-CD1 4.35Å; I460-I464 WeakPolarHBondContact O-CB 3.39Å; I460-I464 PolarHBondContact O-N 3.04Å
461	R	95.3	Very high	91.1	Very high	155 Å²	155	38.2 Å²	38.2	59%	0.585	19%	0.186	S	C	*	.	H	α-helix	trans	-59.5	-27.8	178.8	-74.3	175.6	173.9	168.9	-4.6	113	L368 R457 W458 A459	L368-R461 HydrophobicContact CD2-CG 3.72Å; R457-R461 WeakPolarHBondContact O-CG 3.42Å; R457-R461 PolarHBondContact O-N 2.81Å; R457-R461 VanDerWaalsContact O-N 3.1Å; W458-R461 PolarHBondContact O-N 2.81Å; A459-R461 VanDerWaalsContact C-N 3.35Å; A459-R461 PolarHBondContact O-N 3.37Å
462	K	93.8	Very high	90.8	Very high	58 Å²	58	40.6 Å²	40.6	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-79.6	-28.6	176.2	-63.9	-62.1	177.1	176.6	0	113.1	E34 W458 A459 I460 K480 V482	E34-K462 WeakPolarHBondContact OE1-CE 3.45Å; E34-K462 IonicContact OE1-NZ 3.09Å; E34-K462 PolarHBondContact OE1-NZ 3.12Å; E34-K462 IonicContact OE2-NZ 3.91Å; E34-K462 PolarHBondContact OE2-NZ 3.24Å; W458-K462 HydrophobicContact CZ2-CG 4.28Å; W458-K462 PolarHBondContact O-N 2.97Å; A459-K462 WeakPolarHBondContact O-CB 3.36Å; A459-K462 PolarHBondContact O-N 3.34Å; I460-K462 PolarHBondContact O-N 2.04Å; I460-K462 VanDerWaalsContact O-N 3.15Å; K462-K480 VanDerWaalsContact O-CD 3.25Å; K462-K480 WeakPolarHBondContact O-CD 3.39Å; K462-K480 PolarHBondContact O-NZ 3.43Å; K462-V482 HydrophobicContact CB-CG2 4.04Å; K462-V482 HydrophobicContact CG-CG2 4.35Å
463	L	94	Very high	90.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-111.9	-6.6	-168.3	-60.1	172.4	0	0	0	114.1	I401 I455 A459 I460 D465 V466 F473 E476 A477 K480 V482	I401-L463 HydrophobicContact CD1-CD1 4Å; I455-L463 HydrophobicContact CD1-CD1 4.39Å; A459-L463 WeakPolarHBondContact O-CG 3.39Å; A459-L463 PolarHBondContact O-N 3.3Å; A459-L463 VanDerWaalsContact O-N 3.09Å; I460-L463 PolarHBondContact O-N 2.76Å; L463-D465 VanDerWaalsContact C-N 3.27Å; L463-D465 PolarHBondContact O-N 2.78Å; L463-V466 HydrophobicContact CD2-CG2 4.48Å; L463-V466 VanDerWaalsContact O-CB 3.27Å; L463-V466 WeakPolarHBondContact O-CB 3.43Å; L463-V466 PolarHBondContact O-N 3.13Å; L463-V466 VanDerWaalsContact O-N 3.1Å; L463-F473 HydrophobicContact CB-CD2 4.47Å; L463-F473 HydrophobicContact CB-CE2 3.9Å; L463-F473 HydrophobicContact CD1-CD2 4.48Å; L463-F473 HydrophobicContact CD1-CE1 4.44Å; L463-F473 HydrophobicContact CD1-CE2 3.64Å; L463-F473 HydrophobicContact CD1-CZ 3.6Å; L463-F473 HydrophobicContact CG-CE2 4.34Å; L463-E476 HydrophobicContact CD2-CB 4.27Å; L463-A477 HydrophobicContact CD1-CB 3.95Å; L463-A477 HydrophobicContact CD2-CB 4.16Å; L463-K480 HydrophobicContact CD2-CD 4.09Å; L463-V482 HydrophobicContact CD1-CB 4.49Å; L463-V482 HydrophobicContact CD1-CG1 4.19Å
464	I	90.2	Very high	90.4	Very high	30 Å²	30	40.3 Å²	40.3	15%	0.154	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.4	-174.5	-166.3	66	0	0	0	114.4	R361 F364 L368 I460 V466	R361-I464 HydrophobicContact CG-CD1 3.94Å; F364-I464 HydrophobicContact CB-CD1 3.73Å; L368-I464 HydrophobicContact CD1-CB 4.44Å; L368-I464 HydrophobicContact CD1-CD1 4.41Å; L368-I464 HydrophobicContact CD1-CG1 4.17Å; I460-I464 HydrophobicContact CG2-CD1 4.35Å; I460-I464 WeakPolarHBondContact O-CB 3.39Å; I460-I464 PolarHBondContact O-N 3.04Å; I464-V466 VanDerWaalsContact C-N 3.27Å; I464-V466 PolarHBondContact O-N 3.48Å
465	D	84.3	Confident	90.1	Very high	147 Å²	147	45.1 Å²	45.1	79%	0.786	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	-178.5	-60.7	-39.8	0	0	0	113.5	L463	L463-D465 VanDerWaalsContact C-N 3.27Å; L463-D465 PolarHBondContact O-N 2.78Å
466	V	79.4	Confident	89.9	Confident	12 Å²	12	47.4 Å²	47.4	7%	0.073	23%	0.227	C	C	.	.	S	Bend	trans	-92.9	147.2	-177.8	173.9	0	0	0	0	110.1	L463 I464 N468 N472 E476	L463-V466 HydrophobicContact CD2-CG2 4.48Å; L463-V466 VanDerWaalsContact O-CB 3.27Å; L463-V466 WeakPolarHBondContact O-CB 3.43Å; L463-V466 PolarHBondContact O-N 3.13Å; L463-V466 VanDerWaalsContact O-N 3.1Å; I464-V466 VanDerWaalsContact C-N 3.27Å; I464-V466 PolarHBondContact O-N 3.48Å; V466-N468 PolarHBondContact O-N 3.18Å; V466-N472 VanDerWaalsContact CG1-ND2 3.32Å; V466-N472 WeakPolarHBondContact CG1-ND2 3.49Å; V466-E476 HydrophobicContact CB-CB 4.3Å; V466-E476 HydrophobicContact CB-CG 4.25Å; V466-E476 HydrophobicContact CG1-CB 3.69Å; V466-E476 HydrophobicContact CG1-CG 3.44Å; V466-E476 VanDerWaalsContact CG1-CG 3.44Å; V466-E476 HydrophobicContact CG2-CB 3.67Å; V466-E476 HydrophobicContact CG2-CG 3.76Å
467	S	73.7	Confident	89.8	Confident	44 Å²	44	46.7 Å²	46.7	31%	0.308	22%	0.222	S	C	.	.			trans	-62.4	118.7	165.6	151.4	0	0	0	0	109.5	E357 S469 N472	E357-S467 WeakPolarHBondContact OE1-CA 3.46Å; E357-S467 WeakPolarHBondContact OE1-CB 3.32Å; E357-S467 PolarHBondContact OE1-OG 3.34Å; E357-S467 PolarHBondContact OE2-OG 2.89Å; S467-S469 PolarHBondContact O-N 3.13Å; S467-S469 VanDerWaalsContact O-N 3.1Å; S467-N472 WeakPolarHBondContact CB-ND2 3.36Å; S467-N472 PolarHBondContact O-ND2 3.22Å
468	N	68.4	Low	89.6	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.043	22%	0.224	C	C	.	.			trans	-79.7	24.7	-175.2	-75.4	-34.8	0	0	0	114.3	E357 R360 R361 V466 E470 F473	E357-N468 VanDerWaalsContact CD-N 3.29Å; E357-N468 HydrophobicContact CG-CB 3.57Å; E357-N468 PolarHBondContact OE1-N 3.45Å; R360-N468 HydrophobicContact CB-CB 4.44Å; R361-N468 WeakPolarHBondContact CA-ND2 3.25Å; R361-N468 WeakPolarHBondContact CB-ND2 3.42Å; R361-N468 PolarHBondContact N-ND2 3.48Å; V466-N468 PolarHBondContact O-N 3.18Å; N468-E470 PolarHBondContact O-N 3.16Å; N468-F473 WeakPolarHBondContact OD1-CD2 3.4Å
469	S	82.6	Confident	89.4	Confident	54 Å²	54	47.6 Å²	47.6	38%	0.378	23%	0.232	S	C	.	.			trans	-61.4	138.6	162.9	65.3	0	0	0	0	108.8	S467 M471 N472 F473	S467-S469 PolarHBondContact O-N 3.13Å; S467-S469 VanDerWaalsContact O-N 3.1Å; S469-M471 VanDerWaalsContact C-N 3.28Å; S469-M471 PolarHBondContact O-N 3.01Å; S469-M471 VanDerWaalsContact O-N 3.16Å; S469-N472 PolarHBondContact O-N 2.92Å; S469-N472 WeakPolarHBondContact OG-CB 3.27Å; S469-F473 WeakPolarHBondContact O-CB 3.28Å; S469-F473 PolarHBondContact O-N 3.32Å
470	E	85.9	Confident	89.2	Confident	57 Å²	57	50.9 Å²	50.9	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-49.1	-47.8	-171.7	-176.8	-178.6	100.3	0	0	112.7	L448 R450 N468 A474	L448-E470 HydrophobicContact CD1-CG 4.42Å; L448-E470 HydrophobicContact CD2-CG 4.49Å; R450-E470 VanDerWaalsContact CB-CD 3.48Å; R450-E470 HydrophobicContact CB-CG 4.16Å; R450-E470 WeakPolarHBondContact CB-OE2 3.17Å; R450-E470 WeakPolarHBondContact CD-OE1 3.21Å; R450-E470 WeakPolarHBondContact CD-OE2 3.3Å; R450-E470 IonicContact CZ-OE1 2.74Å; R450-E470 IonicContact CZ-OE2 3.32Å; R450-E470 VanDerWaalsContact CZ-OE2 3.31Å; R450-E470 IonicContact NE-OE1 3.88Å; R450-E470 IonicContact NE-OE2 3.64Å; R450-E470 PolarHBondContact NE-OE2 3.44Å; R450-E470 IonicContact NH1-OE1 3.76Å; R450-E470 PolarHBondContact NH1-OE1 3.12Å; R450-E470 IonicContact NH1-OE2 3.26Å; R450-E470 PolarHBondContact NH1-OE2 3Å; R450-E470 VanDerWaalsContact NH1-OE2 3.15Å; N468-E470 PolarHBondContact O-N 3.16Å; E470-A474 WeakPolarHBondContact O-CB 3.49Å; E470-A474 PolarHBondContact O-N 2.64Å; E470-A474 VanDerWaalsContact O-N 3.09Å
471	M	89.9	Confident	89.2	Confident	91 Å²	91	52.7 Å²	52.7	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-40.7	179.4	-66	-170.7	-63.7	0	0	112.8	W417 F425 S469 Y475	W417-M471 HydrophobicContact CH2-CG 4.48Å; W417-M471 HydrophobicContact CH2-SD 4.33Å; F425-M471 HydrophobicContact CD1-SD 4Å; F425-M471 HydrophobicContact CE1-CE 4Å; F425-M471 HydrophobicContact CE1-SD 3.67Å; F425-M471 HydrophobicContact CZ-CE 4.48Å; F425-M471 HydrophobicContact CZ-SD 4.46Å; S469-M471 VanDerWaalsContact C-N 3.28Å; S469-M471 PolarHBondContact O-N 3.01Å; S469-M471 VanDerWaalsContact O-N 3.16Å; M471-Y475 VanDerWaalsContact O-CB 3.25Å; M471-Y475 WeakPolarHBondContact O-CB 3.32Å; M471-Y475 PolarHBondContact O-N 3.48Å
472	N	90.4	Very high	89.3	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-72.6	-38.8	-179	-171.1	60.4	0	0	0	111.5	V466 S467 S469 Y475 E476	V466-N472 VanDerWaalsContact CG1-ND2 3.32Å; V466-N472 WeakPolarHBondContact CG1-ND2 3.49Å; S467-N472 WeakPolarHBondContact CB-ND2 3.36Å; S467-N472 PolarHBondContact O-ND2 3.22Å; S469-N472 PolarHBondContact O-N 2.92Å; S469-N472 WeakPolarHBondContact OG-CB 3.27Å; N472-Y475 PolarHBondContact O-N 3.34Å; N472-E476 WeakPolarHBondContact O-CB 3.37Å; N472-E476 WeakPolarHBondContact O-CG 3.17Å; N472-E476 PolarHBondContact O-N 2.85Å
473	F	92.4	Very high	89.5	Confident	9 Å²	9	43 Å²	43	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-50.5	171.9	176.6	-92.9	0	0	0	110.8	F364 I401 I455 L463 N468 S469 Y475 E476 A477	F364-F473 HydrophobicContact CE2-CE2 4.05Å; I401-F473 HydrophobicContact CD1-CE1 3.94Å; I401-F473 HydrophobicContact CD1-CZ 3.87Å; I455-F473 HydrophobicContact CD1-CE2 4.31Å; I455-F473 HydrophobicContact CD1-CZ 3.82Å; L463-F473 HydrophobicContact CB-CD2 4.47Å; L463-F473 HydrophobicContact CB-CE2 3.9Å; L463-F473 HydrophobicContact CD1-CD2 4.48Å; L463-F473 HydrophobicContact CD1-CE1 4.44Å; L463-F473 HydrophobicContact CD1-CE2 3.64Å; L463-F473 HydrophobicContact CD1-CZ 3.6Å; L463-F473 HydrophobicContact CG-CE2 4.34Å; N468-F473 WeakPolarHBondContact OD1-CD2 3.4Å; S469-F473 WeakPolarHBondContact O-CB 3.28Å; S469-F473 PolarHBondContact O-N 3.32Å; F473-Y475 PolarHBondContact O-N 3.25Å; F473-E476 PolarHBondContact O-N 3.38Å; F473-A477 WeakPolarHBondContact O-CB 3.48Å; F473-A477 PolarHBondContact O-N 3.35Å
474	A	94.6	Very high	89.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-42.1	177	0	0	0	0	0	112.1	L448 E470 A477 R478 M484	L448-A474 HydrophobicContact CB-CB 4.12Å; L448-A474 HydrophobicContact CD1-CB 3.94Å; L448-A474 HydrophobicContact CG-CB 3.94Å; E470-A474 WeakPolarHBondContact O-CB 3.49Å; E470-A474 PolarHBondContact O-N 2.64Å; E470-A474 VanDerWaalsContact O-N 3.09Å; A474-A477 PolarHBondContact O-N 3.13Å; A474-R478 WeakPolarHBondContact O-CG 3.46Å; A474-R478 PolarHBondContact O-N 3.28Å; A474-R478 VanDerWaalsContact O-N 3.1Å; A474-R478 PolarHBondContact O-NH1 3.47Å; A474-M484 HydrophobicContact CB-CE 3.95Å; A474-M484 HydrophobicContact CB-SD 3.91Å; A474-M484 WeakPolarHBondContact O-CE 3.11Å
475	Y	93.6	Very high	90.1	Very high	103 Å²	103	42.7 Å²	42.7	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-47.6	176.8	172.5	-100	0	0	0	112.5	M471 N472 F473 R478 N479	M471-Y475 VanDerWaalsContact O-CB 3.25Å; M471-Y475 WeakPolarHBondContact O-CB 3.32Å; M471-Y475 PolarHBondContact O-N 3.48Å; N472-Y475 PolarHBondContact O-N 3.34Å; F473-Y475 PolarHBondContact O-N 3.25Å; Y475-R478 PolarHBondContact O-N 2.74Å; Y475-N479 WeakPolarHBondContact CE1-ND2 3.46Å; Y475-N479 PolarHBondContact O-N 3.36Å; Y475-N479 PolarHBondContact O-ND2 3.04Å; Y475-N479 PolarHBondContact OH-ND2 3.34Å
476	E	93.7	Very high	90.8	Very high	48 Å²	48	35.7 Å²	35.7	22%	0.224	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-34.3	179	-72.2	-63.5	132	0	0	112.9	L463 V466 N472 F473 R478 N479 K480	L463-E476 HydrophobicContact CD2-CB 4.27Å; V466-E476 HydrophobicContact CB-CB 4.3Å; V466-E476 HydrophobicContact CB-CG 4.25Å; V466-E476 HydrophobicContact CG1-CB 3.69Å; V466-E476 HydrophobicContact CG1-CG 3.44Å; V466-E476 VanDerWaalsContact CG1-CG 3.44Å; V466-E476 HydrophobicContact CG2-CB 3.67Å; V466-E476 HydrophobicContact CG2-CG 3.76Å; N472-E476 WeakPolarHBondContact O-CB 3.37Å; N472-E476 WeakPolarHBondContact O-CG 3.17Å; N472-E476 PolarHBondContact O-N 2.85Å; F473-E476 PolarHBondContact O-N 3.38Å; E476-R478 VanDerWaalsContact C-N 3.33Å; E476-R478 PolarHBondContact O-N 3.02Å; E476-N479 PolarHBondContact O-N 2.93Å; E476-K480 WeakPolarHBondContact O-CB 3.46Å; E476-K480 WeakPolarHBondContact O-CG 3.38Å; E476-K480 PolarHBondContact O-N 3.31Å
477	A	95.7	Very high	91.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56	-48.8	170.9	0	0	0	0	0	111	I401 L463 F473 A474 N479 K480 N481 V482 M484	I401-A477 HydrophobicContact CD1-CB 4.46Å; L463-A477 HydrophobicContact CD1-CB 3.95Å; L463-A477 HydrophobicContact CD2-CB 4.16Å; F473-A477 WeakPolarHBondContact O-CB 3.48Å; F473-A477 PolarHBondContact O-N 3.35Å; A474-A477 PolarHBondContact O-N 3.13Å; A477-N479 PolarHBondContact O-N 2.84Å; A477-K480 CarbonylContact O-C 3.5Å; A477-K480 PolarHBondContact O-N 3.28Å; A477-N481 PolarHBondContact O-N 2.92Å; A477-V482 CarbonylContact C-O 3.55Å; A477-V482 HydrophobicContact CB-CB 4.2Å; A477-V482 PolarHBondContact O-N 3.27Å; A477-M484 HydrophobicContact CB-CE 4Å; A477-M484 HydrophobicContact CB-CG 4.48Å; A477-M484 HydrophobicContact CB-SD 4.17Å
478	R	94.3	Very high	92.8	Very high	46 Å²	46	33 Å²	33	17%	0.174	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-45.4	176.3	-65	-172.2	-50.1	-91.2	2.6	112.2	L420 P447 A474 Y475 E476 K480 N481 M484	L420-R478 VanDerWaalsContact CD1-CZ 3.5Å; P447-R478 PolarHBondContact O-NH1 2.84Å; A474-R478 WeakPolarHBondContact O-CG 3.46Å; A474-R478 PolarHBondContact O-N 3.28Å; A474-R478 VanDerWaalsContact O-N 3.1Å; A474-R478 PolarHBondContact O-NH1 3.47Å; Y475-R478 PolarHBondContact O-N 2.74Å; E476-R478 VanDerWaalsContact C-N 3.33Å; E476-R478 PolarHBondContact O-N 3.02Å; R478-K480 PolarHBondContact O-N 3.01Å; R478-N481 PolarHBondContact O-N 2.97Å; R478-M484 HydrophobicContact CG-CE 3.81Å
479	N	91.8	Very high	94.2	Very high	85 Å²	85	35.4 Å²	35.4	46%	0.455	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-29.1	179.5	-72.5	-21.2	0	0	0	113.5	Y475 E476 A477	Y475-N479 WeakPolarHBondContact CE1-ND2 3.46Å; Y475-N479 PolarHBondContact O-N 3.36Å; Y475-N479 PolarHBondContact O-ND2 3.04Å; Y475-N479 PolarHBondContact OH-ND2 3.34Å; E476-N479 PolarHBondContact O-N 2.93Å; A477-N479 PolarHBondContact O-N 2.84Å
480	K	93.1	Very high	94.9	Very high	70 Å²	70	35.9 Å²	35.9	30%	0.304	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	10.7	179.1	-67	177.4	178.6	174.3	0	113.1	K462 L463 E476 A477 R478 V482	K462-K480 VanDerWaalsContact O-CD 3.25Å; K462-K480 WeakPolarHBondContact O-CD 3.39Å; K462-K480 PolarHBondContact O-NZ 3.43Å; L463-K480 HydrophobicContact CD2-CD 4.09Å; E476-K480 WeakPolarHBondContact O-CB 3.46Å; E476-K480 WeakPolarHBondContact O-CG 3.38Å; E476-K480 PolarHBondContact O-N 3.31Å; A477-K480 CarbonylContact O-C 3.5Å; A477-K480 PolarHBondContact O-N 3.28Å; R478-K480 PolarHBondContact O-N 3.01Å; K480-V482 HydrophobicContact CB-CG2 4.27Å; K480-V482 PolarHBondContact O-N 3.32Å
481	N	95.4	Very high	95.4	Very high	37 Å²	37	36.6 Å²	36.6	20%	0.198	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	36.8	-177.2	-63.5	-45.2	0	0	0	113.3	N36 D37 A38 Y101 A477 R478	N36-N481 HydrophobicContact CB-CB 4.09Å; D37-N481 PolarHBondContact N-O 3.1Å; A38-N481 HydrophobicContact CB-CB 3.72Å; Y101-N481 VanDerWaalsContact CD2-ND2 3.34Å; Y101-N481 WeakPolarHBondContact CD2-ND2 3.19Å; A477-N481 PolarHBondContact O-N 2.92Å; R478-N481 PolarHBondContact O-N 2.97Å
482	V	97.2	Very high	95.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.158	C	C	.	.			trans	-96.8	111	168.7	-177.1	0	0	0	0	107.2	D37 I401 W458 A459 K462 L463 A477 K480	D37-V482 WeakPolarHBondContact OD2-CA 3.43Å; I401-V482 HydrophobicContact CD1-CG1 3.8Å; I401-V482 HydrophobicContact CG1-CG1 4.21Å; W458-V482 HydrophobicContact CH2-CG2 3.91Å; W458-V482 HydrophobicContact CZ3-CB 4.41Å; W458-V482 HydrophobicContact CZ3-CG1 4.15Å; W458-V482 HydrophobicContact CZ3-CG2 3.91Å; A459-V482 HydrophobicContact CB-CG1 3.71Å; K462-V482 HydrophobicContact CB-CG2 4.04Å; K462-V482 HydrophobicContact CG-CG2 4.35Å; L463-V482 HydrophobicContact CD1-CB 4.49Å; L463-V482 HydrophobicContact CD1-CG1 4.19Å; A477-V482 CarbonylContact C-O 3.55Å; A477-V482 HydrophobicContact CB-CB 4.2Å; A477-V482 PolarHBondContact O-N 3.27Å; K480-V482 HydrophobicContact CB-CG2 4.27Å; K480-V482 PolarHBondContact O-N 3.32Å
483	F	98	Very high	96.2	Very high	10 Å²	10	30.3 Å²	30.3	4%	0.044	15%	0.15	C	C	.	.			trans	-78.7	141.8	-177.8	-68.2	-9.4	0	0	0	111.3	D37 A38 R41 I401 N445 F485	D37-F483 HydrophobicContact CB-CB 3.98Å; D37-F483 HydrophobicContact CB-CD1 4.08Å; D37-F483 HydrophobicContact CB-CD2 3.47Å; D37-F483 VanDerWaalsContact CB-CD2 3.47Å; D37-F483 HydrophobicContact CB-CE1 4.45Å; D37-F483 HydrophobicContact CB-CE2 3.89Å; D37-F483 HydrophobicContact CB-CG 3.57Å; D37-F483 HydrophobicContact CB-CZ 4.36Å; D37-F483 PolarHBondContact OD2-N 3.29Å; A38-F483 HydrophobicContact CB-CE1 4.23Å; A38-F483 HydrophobicContact CB-CZ 3.93Å; R41-F483 HydrophobicContact CB-CE2 4.23Å; I401-F483 PolarHBondContact N-O 3.2Å; N445-F483 WeakPolarHBondContact ND2-CD2 3.32Å; N445-F483 WeakPolarHBondContact ND2-CE2 3.43Å; N445-F483 VanDerWaalsContact ND2-CG 3.28Å; N445-F483 WeakPolarHBondContact ND2-CG 3.49Å; F483-F485 HydrophobicContact CB-CD2 4.24Å; F483-F485 HydrophobicContact CB-CE2 3.48Å; F483-F485 VanDerWaalsContact CB-CE2 3.48Å; F483-F485 HydrophobicContact CB-CZ 3.67Å; F483-F485 HydrophobicContact CD2-CE2 4.47Å; F483-F485 AromaticContact CD2-CZ 3.88Å; F483-F485 HydrophobicContact CD2-CZ 3.88Å; F483-F485 HydrophobicContact CG-CZ 4.29Å
484	M	98.4	Very high	96.5	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.1	173.6	-67.9	169.1	-74.5	0	0	107.9	I401 N445 V446 P447 V449 A474 A477 R478	I401-M484 HydrophobicContact CB-CG 4.06Å; I401-M484 HydrophobicContact CD1-CG 3.76Å; I401-M484 HydrophobicContact CG2-CB 4.4Å; I401-M484 HydrophobicContact CG2-CG 4.02Å; N445-M484 WeakPolarHBondContact CA-O 3.41Å; N445-M484 PolarHBondContact OD1-O 2.48Å; V446-M484 PolarHBondContact N-O 3.27Å; P447-M484 WeakPolarHBondContact O-CE 3.32Å; V449-M484 HydrophobicContact CG1-CB 4.22Å; V449-M484 HydrophobicContact CG2-CB 4.1Å; V449-M484 HydrophobicContact CG2-CG 4.21Å; V449-M484 HydrophobicContact CG2-SD 4.36Å; A474-M484 HydrophobicContact CB-CE 3.95Å; A474-M484 HydrophobicContact CB-SD 3.91Å; A474-M484 WeakPolarHBondContact O-CE 3.11Å; A477-M484 HydrophobicContact CB-CE 4Å; A477-M484 HydrophobicContact CB-CG 4.48Å; A477-M484 HydrophobicContact CB-SD 4.17Å; R478-M484 HydrophobicContact CG-CE 3.81Å
485	F	98.5	Very high	96.7	Very high	20 Å²	20	30.8 Å²	30.8	9%	0.088	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.6	-177.6	-63	-84.8	0	0	0	111.2	R399 I401 I402 A403 I443 W444 N445 F483	R399-F485 HydrophobicContact CB-CD2 3.86Å; R399-F485 HydrophobicContact CB-CE2 4.24Å; R399-F485 HydrophobicContact CG-CD2 4.07Å; R399-F485 HydrophobicContact CG-CE2 4.4Å; R399-F485 HydrophobicContact CG-CG 4.49Å; I401-F485 WeakPolarHBondContact O-CD2 3.12Å; I401-F485 PolarHBondContact O-N 3.33Å; I402-F485 CarbonylContact C-O 3.47Å; I402-F485 WeakPolarHBondContact CA-O 3.06Å; I402-F485 HydrophobicContact CB-CB 4.3Å; I402-F485 HydrophobicContact CG1-CB 4.11Å; A403-F485 PolarHBondContact N-O 3.2Å; I443-F485 HydrophobicContact CG2-CB 3.67Å; I443-F485 HydrophobicContact CG2-CD1 3.61Å; I443-F485 HydrophobicContact CG2-CE1 4.46Å; I443-F485 HydrophobicContact CG2-CG 3.84Å; W444-F485 CarbonylContact O-C 3.53Å; W444-F485 WeakPolarHBondContact O-CA 3.35Å; N445-F485 HydrophobicContact CB-CD1 4.01Å; N445-F485 HydrophobicContact CB-CE1 3.78Å; F483-F485 HydrophobicContact CB-CD2 4.24Å; F483-F485 HydrophobicContact CB-CE2 3.48Å; F483-F485 VanDerWaalsContact CB-CE2 3.48Å; F483-F485 HydrophobicContact CB-CZ 3.67Å; F483-F485 HydrophobicContact CD2-CE2 4.47Å; F483-F485 AromaticContact CD2-CZ 3.88Å; F483-F485 HydrophobicContact CD2-CZ 3.88Å; F483-F485 HydrophobicContact CG-CZ 4.29Å
486	V	98.6	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.6	162.6	65.8	0	0	0	0	109.6	A403 L405 F416 I443 W444 V446	A403-V486 CarbonylContact O-C 3.5Å; A403-V486 WeakPolarHBondContact O-CA 3.36Å; L405-V486 HydrophobicContact CB-CG2 3.96Å; L405-V486 HydrophobicContact CD1-CG2 4.22Å; F416-V486 HydrophobicContact CB-CB 4.26Å; F416-V486 HydrophobicContact CB-CG1 4.5Å; F416-V486 HydrophobicContact CB-CG2 4.38Å; F416-V486 HydrophobicContact CD1-CB 4.36Å; F416-V486 HydrophobicContact CD1-CG1 4.17Å; F416-V486 HydrophobicContact CD1-CG2 3.92Å; F416-V486 HydrophobicContact CD2-CG1 3.92Å; F416-V486 HydrophobicContact CE1-CG1 4.38Å; F416-V486 HydrophobicContact CE1-CG2 4.49Å; F416-V486 HydrophobicContact CE2-CG1 4.14Å; F416-V486 HydrophobicContact CG-CB 4.15Å; F416-V486 HydrophobicContact CG-CG1 3.93Å; F416-V486 HydrophobicContact CG-CG2 4.19Å; F416-V486 HydrophobicContact CZ-CG1 4.37Å; I443-V486 WeakPolarHBondContact CA-O 3.35Å; W444-V486 HydrophobicContact CB-CG1 3.92Å; W444-V486 HydrophobicContact CG-CG1 4.4Å; W444-V486 PolarHBondContact N-O 3.34Å; W444-V486 PolarHBondContact O-N 3.28Å; V446-V486 HydrophobicContact CG1-CG1 3.82Å; V446-V486 HydrophobicContact CG2-CB 4.28Å; V446-V486 HydrophobicContact CG2-CG1 4.17Å
487	D	98.6	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.5	178.8	-167.4	-35.4	0	0	0	109.8	H393 L394 I402 A403 L405 I443 Q489 F492	H393-D487 IonicContact CD2-OD2 3.11Å; H393-D487 IonicContact NE2-OD1 2.66Å; H393-D487 IonicContact NE2-OD2 2.67Å; H393-D487 PolarHBondContact NE2-OD2 2.85Å; H393-D487 VanDerWaalsContact NE2-OD2 3.09Å; L394-D487 HydrophobicContact CD2-CB 4.34Å; I402-D487 HydrophobicContact CD1-CB 4.05Å; I402-D487 HydrophobicContact CG1-CB 4.19Å; A403-D487 PolarHBondContact O-N 3.32Å; L405-D487 VanDerWaalsContact CB-O 3.23Å; L405-D487 WeakPolarHBondContact CB-O 3.49Å; L405-D487 PolarHBondContact N-O 3.14Å; I443-D487 HydrophobicContact CG1-CB 4.49Å; D487-Q489 VanDerWaalsContact OD1-CB 3.26Å; D487-Q489 WeakPolarHBondContact OD1-CB 3.36Å; D487-Q489 VanDerWaalsContact OD1-CG 3.24Å; D487-Q489 WeakPolarHBondContact OD1-CG 3.42Å; D487-Q489 PolarHBondContact OD1-N 3.23Å; D487-Q489 PolarHBondContact OD1-NE2 3.26Å; D487-Q489 PolarHBondContact OD2-NE2 3.21Å; D487-F492 HydrophobicContact CB-CE2 4.05Å; D487-F492 HydrophobicContact CB-CZ 4.21Å; D487-F492 VanDerWaalsContact O-CE2 3.23Å; D487-F492 WeakPolarHBondContact O-CE2 3.45Å
488	N	98.4	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.			trans	-126.5	29.7	171.7	75.9	-24.7	0	0	0	112.2	L405 I435 Y438 I440 T441 G442 W444 M490	L405-N488 HydrophobicContact CB-CB 3.84Å; L405-N488 HydrophobicContact CD2-CB 3.46Å; L405-N488 VanDerWaalsContact CD2-CB 3.46Å; L405-N488 HydrophobicContact CG-CB 4.27Å; I435-N488 HydrophobicContact CG2-CB 4.48Å; I435-N488 PolarHBondContact O-ND2 3.07Å; Y438-N488 HydrophobicContact CD1-CB 4.33Å; Y438-N488 VanDerWaalsContact CD1-O 3.23Å; Y438-N488 WeakPolarHBondContact CD1-O 3.38Å; Y438-N488 HydrophobicContact CE1-CB 3.96Å; Y438-N488 WeakPolarHBondContact CE1-O 3.45Å; I440-N488 PolarHBondContact O-ND2 3.16Å; T441-N488 VanDerWaalsContact CA-OD1 3.31Å; T441-N488 WeakPolarHBondContact CA-OD1 3.5Å; T441-N488 WeakPolarHBondContact CG2-O 3.41Å; G442-N488 PolarHBondContact N-OD1 3.22Å; G442-N488 PolarHBondContact O-N 3.03Å; G442-N488 VanDerWaalsContact O-N 3.09Å; G442-N488 PolarHBondContact O-OD1 2.88Å; W444-N488 PolarHBondContact NE1-OD1 3.28Å; N488-M490 PolarHBondContact O-N 3.02Å
489	Q	97.6	Very high	96.9	Very high	59 Å²	59	28.4 Å²	28.4	28%	0.276	15%	0.153	S	C	.	.	S	Bend	trans	-66.3	-24.6	176.2	-64.4	179.4	89.9	0	0	112.5	C270 H393 M397 D487	C270-Q489 VanDerWaalsContact CB-OE1 3.3Å; H393-Q489 PolarHBondContact NE2-NE2 3.11Å; M397-Q489 PolarHBondContact SD-NE2 2.89Å; M397-Q489 VanDerWaalsContact SD-NE2 3.45Å; D487-Q489 VanDerWaalsContact OD1-CB 3.26Å; D487-Q489 WeakPolarHBondContact OD1-CB 3.36Å; D487-Q489 VanDerWaalsContact OD1-CG 3.24Å; D487-Q489 WeakPolarHBondContact OD1-CG 3.42Å; D487-Q489 PolarHBondContact OD1-N 3.23Å; D487-Q489 PolarHBondContact OD1-NE2 3.26Å; D487-Q489 PolarHBondContact OD2-NE2 3.21Å
490	M	96.6	Very high	96.8	Very high	64 Å²	64	29.8 Å²	29.8	32%	0.315	16%	0.16	S	C	.	.	S	Bend	trans	-147.2	170.4	175.7	62.4	-173	71.2	0	0	111.8	H393 Y438 N488 F492	H393-M490 VanDerWaalsContact CE1-CE 3.41Å; H393-M490 WeakPolarHBondContact CE1-CE 3.43Å; H393-M490 WeakPolarHBondContact ND1-CE 3.45Å; Y438-M490 WeakPolarHBondContact CE1-O 3.23Å; Y438-M490 PolarHBondContact OH-O 3.06Å; N488-M490 PolarHBondContact O-N 3.02Å; M490-F492 HydrophobicContact CG-CD1 4.04Å; M490-F492 HydrophobicContact CG-CD2 4.42Å; M490-F492 HydrophobicContact CG-CE1 3.51Å; M490-F492 HydrophobicContact CG-CE2 3.91Å; M490-F492 HydrophobicContact CG-CG 4.48Å; M490-F492 HydrophobicContact CG-CZ 3.44Å; M490-F492 VanDerWaalsContact CG-CZ 3.44Å; M490-F492 WeakPolarHBondContact O-CD2 3.38Å; M490-F492 WeakPolarHBondContact O-CE2 3.45Å; M490-F492 PolarHBondContact O-N 3.05Å; M490-F492 HydrophobicContact SD-CE1 3.91Å; M490-F492 HydrophobicContact SD-CZ 4.29Å
491	S	97.4	Very high	96.9	Very high	72 Å²	72	27.4 Å²	27.4	50%	0.503	15%	0.149	S	C	.	.			trans	-74	123.7	168.8	-172.2	0	0	0	0	109.2	N387	N387-S491 WeakPolarHBondContact CB-O 3.45Å; N387-S491 PolarHBondContact ND2-O 2.71Å
492	F	98.4	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.			trans	-105.4	-27.5	178.5	-65.3	-75.2	0	0	0	113	D386 N387 T390 H393 P404 L406 D487 M490	D386-F492 PolarHBondContact N-O 3.39Å; N387-F492 PolarHBondContact N-O 3.4Å; T390-F492 HydrophobicContact CG2-CB 4.37Å; T390-F492 HydrophobicContact CG2-CD1 3.83Å; T390-F492 HydrophobicContact CG2-CG 4.44Å; T390-F492 PolarHBondContact OG1-O 3.32Å; H393-F492 HydrophobicContact CB-CE1 4.33Å; H393-F492 AromaticContact CD2-CE1 3.56Å; H393-F492 AromaticContact CD2-CZ 3.47Å; H393-F492 VanDerWaalsContact CD2-CZ 3.47Å; H393-F492 WeakPolarHBondContact CD2-CZ 3.39Å; H393-F492 AromaticContact NE2-CZ 3.9Å; P404-F492 HydrophobicContact CB-CB 3.52Å; P404-F492 HydrophobicContact CB-CD1 3.92Å; P404-F492 HydrophobicContact CB-CD2 3.58Å; P404-F492 HydrophobicContact CB-CE2 4.25Å; P404-F492 HydrophobicContact CB-CG 3.38Å; L406-F492 HydrophobicContact CD2-CB 4.21Å; D487-F492 HydrophobicContact CB-CE2 4.05Å; D487-F492 HydrophobicContact CB-CZ 4.21Å; D487-F492 VanDerWaalsContact O-CE2 3.23Å; D487-F492 WeakPolarHBondContact O-CE2 3.45Å; M490-F492 HydrophobicContact CG-CD1 4.04Å; M490-F492 HydrophobicContact CG-CD2 4.42Å; M490-F492 HydrophobicContact CG-CE1 3.51Å; M490-F492 HydrophobicContact CG-CE2 3.91Å; M490-F492 HydrophobicContact CG-CG 4.48Å; M490-F492 HydrophobicContact CG-CZ 3.44Å; M490-F492 VanDerWaalsContact CG-CZ 3.44Å; M490-F492 WeakPolarHBondContact O-CD2 3.38Å; M490-F492 WeakPolarHBondContact O-CE2 3.45Å; M490-F492 PolarHBondContact O-N 3.05Å; M490-F492 HydrophobicContact SD-CE1 3.91Å; M490-F492 HydrophobicContact SD-CZ 4.29Å
493	G	98.1	Very high	96.4	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	17%	0.172	C	C	.	.			trans	152.7	-155.9	-173.3	0	0	0	0	0	112.3	Q384 D386 L406	Q384-G493 WeakPolarHBondContact O-CA 3.35Å; D386-G493 VanDerWaalsContact OD1-CA 3.24Å; D386-G493 WeakPolarHBondContact OD1-CA 3.46Å; D386-G493 PolarHBondContact OD1-N 3.16Å; L406-G493 VanDerWaalsContact CD2-C 3.42Å
494	Y	98.4	Very high	96	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	177.1	-178.8	59.3	-88.4	0	0	0	111.6	R305 Q384 T407 R409 T496 D519	R305-Y494 PolarHBondContact NH1-OH 2.74Å; R305-Y494 VanDerWaalsContact NH2-CE1 3.33Å; R305-Y494 PolarHBondContact NH2-OH 3.35Å; Q384-Y494 HydrophobicContact CB-CD1 4.23Å; Q384-Y494 HydrophobicContact CB-CD2 3.9Å; Q384-Y494 HydrophobicContact CB-CE1 3.97Å; Q384-Y494 HydrophobicContact CB-CE2 3.62Å; Q384-Y494 HydrophobicContact CB-CG 4.2Å; Q384-Y494 HydrophobicContact CG-CD2 4.24Å; Q384-Y494 HydrophobicContact CG-CE2 3.7Å; Q384-Y494 PolarHBondContact N-O 2.89Å; Q384-Y494 PolarHBondContact O-N 2.92Å; T407-Y494 CarbonylContact O-C 3.57Å; T407-Y494 WeakPolarHBondContact O-CA 3.46Å; T407-Y494 VanDerWaalsContact O-CB 3.3Å; T407-Y494 WeakPolarHBondContact O-CB 3.24Å; R409-Y494 VanDerWaalsContact CD-CD2 3.5Å; R409-Y494 HydrophobicContact CG-CD1 4.27Å; R409-Y494 HydrophobicContact CG-CD2 3.63Å; R409-Y494 HydrophobicContact CG-CE2 4.32Å; R409-Y494 HydrophobicContact CG-CG 3.59Å; Y494-T496 HydrophobicContact CE2-CG2 4.18Å; Y494-D519 WeakPolarHBondContact CE2-OD1 3.43Å; Y494-D519 VanDerWaalsContact CE2-OD2 3.27Å; Y494-D519 WeakPolarHBondContact CE2-OD2 3.34Å; Y494-D519 PolarHBondContact OH-OD1 2.86Å
495	L	98.4	Very high	95.8	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.4	173.2	-60.5	174.2	0	0	0	110.4	I382 A383 L406 T407 I408 N415	I382-L495 HydrophobicContact CD1-CD2 4.5Å; I382-L495 HydrophobicContact CG1-CD2 4.43Å; I382-L495 WeakPolarHBondContact O-CA 3.42Å; A383-L495 HydrophobicContact CB-CD2 4.3Å; L406-L495 HydrophobicContact CB-CD1 4.49Å; L406-L495 HydrophobicContact CB-CD2 3.83Å; L406-L495 HydrophobicContact CB-CG 3.78Å; L406-L495 HydrophobicContact CD1-CD2 3.96Å; T407-L495 PolarHBondContact O-N 2.73Å; I408-L495 HydrophobicContact CG1-CB 3.83Å; I408-L495 HydrophobicContact CG1-CD1 4.38Å; N415-L495 HydrophobicContact CB-CD1 4.22Å
496	T	97.6	Very high	95.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.238	C	C	.	.			trans	-83.8	145.5	163.3	53	0	0	0	0	110.9	F298 I382 Q384 Y494 N516	F298-T496 HydrophobicContact CD2-CG2 4.48Å; I382-T496 WeakPolarHBondContact CA-OG1 3.26Å; I382-T496 PolarHBondContact O-N 3.39Å; I382-T496 PolarHBondContact O-OG1 3.31Å; Q384-T496 HydrophobicContact CG-CG2 3.69Å; Y494-T496 HydrophobicContact CE2-CG2 4.18Å; T496-N516 WeakPolarHBondContact CA-OD1 3.37Å
497	D	96.4	Very high	95.4	Very high	14 Å²	14	43.2 Å²	43.2	8%	0.075	25%	0.245	C	C	.	.			trans	-87.9	105.7	175.5	-165	-17.4	0	0	0	109.9	I408 K411 N499 N516	I408-D497 HydrophobicContact CD1-CB 4.47Å; I408-D497 HydrophobicContact CG2-CB 4.38Å; K411-D497 IonicContact NZ-OD2 2.7Å; K411-D497 PolarHBondContact NZ-OD2 3.48Å; D497-N499 WeakPolarHBondContact OD1-CB 3.48Å; D497-N499 PolarHBondContact OD1-N 3.47Å; D497-N499 PolarHBondContact OD1-ND2 3Å; D497-N516 PolarHBondContact N-OD1 2.94Å; D497-N516 PolarHBondContact O-ND2 3.03Å
498	A	95	Very high	95.3	Very high	9 Å²	9	44 Å²	44	7%	0.074	25%	0.249	C	C	.	.			trans	-100.8	1.6	-177.2	0	0	0	0	0	113.6	Q294 P297 I382 N500 Y501	Q294-A498 HydrophobicContact CG-CB 4.29Å; Q294-A498 VanDerWaalsContact NE2-CB 3.27Å; P297-A498 HydrophobicContact CG-CB 4.41Å; I382-A498 HydrophobicContact CG2-CB 3.82Å; A498-N500 VanDerWaalsContact C-N 3.31Å; A498-N500 PolarHBondContact O-N 3.11Å; A498-Y501 PolarHBondContact O-N 2.86Å
499	N	91.8	Very high	95.2	Very high	122 Å²	122	44.3 Å²	44.3	65%	0.652	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-38.7	-172.1	-67.9	-51.6	0	0	0	113.1	D497	D497-N499 WeakPolarHBondContact OD1-CB 3.48Å; D497-N499 PolarHBondContact OD1-N 3.47Å; D497-N499 PolarHBondContact OD1-ND2 3Å
500	N	90.9	Very high	95.2	Very high	115 Å²	115	41.6 Å²	41.6	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	25.9	-178.6	-61.7	-36.4	0	0	0	112.4	A498 T502	A498-N500 VanDerWaalsContact C-N 3.31Å; A498-N500 PolarHBondContact O-N 3.11Å; N500-T502 PolarHBondContact O-N 2.93Å
501	Y	94.3	Very high	95.3	Very high	20 Å²	20	39 Å²	39	8%	0.078	23%	0.225	C	C	.	.			trans	-60.8	123.6	-175.7	-178.3	-127.6	0	0	0	111.7	G295 P297 F328 Q329 A498 K503 N508 D509 Q512	G295-Y501 VanDerWaalsContact O-CD1 3.26Å; G295-Y501 WeakPolarHBondContact O-CD1 2.67Å; P297-Y501 HydrophobicContact CB-CD2 4.13Å; P297-Y501 HydrophobicContact CB-CE2 4.12Å; P297-Y501 HydrophobicContact CG-CD2 3.62Å; P297-Y501 HydrophobicContact CG-CE2 4.09Å; P297-Y501 HydrophobicContact CG-CG 4.07Å; F328-Y501 HydrophobicContact CE2-CE1 4.1Å; F328-Y501 HydrophobicContact CZ-CD1 4.42Å; F328-Y501 AromaticContact CZ-CE1 3.94Å; F328-Y501 HydrophobicContact CZ-CE1 3.94Å; Q329-Y501 PolarHBondContact NE2-OH 3.32Å; A498-Y501 PolarHBondContact O-N 2.86Å; Y501-K503 HydrophobicContact CD1-CG 4.49Å; Y501-N508 HydrophobicContact CE1-CB 4.36Å; Y501-N508 HydrophobicContact CE2-CB 3.87Å; Y501-N508 VanDerWaalsContact OH-CB 3.29Å; Y501-N508 WeakPolarHBondContact OH-CB 3.4Å; Y501-D509 PolarHBondContact OH-OD1 3.22Å; Y501-Q512 HydrophobicContact CD2-CG 4.11Å; Y501-Q512 HydrophobicContact CE2-CG 4.1Å
502	T	92.3	Very high	95.3	Very high	38 Å²	38	35.6 Å²	35.6	23%	0.233	20%	0.201	C	C	.	.			trans	-66.4	134.7	178.1	-66.4	0	0	0	0	109.9	N500 K505 N508 W511	N500-T502 PolarHBondContact O-N 2.93Å; T502-K505 HydrophobicContact CG2-CG 3.81Å; T502-N508 WeakPolarHBondContact O-CB 3.19Å; T502-N508 PolarHBondContact O-OD1 2.85Å; T502-W511 HydrophobicContact CG2-CB 4.11Å; T502-W511 HydrophobicContact CG2-CD2 4.36Å; T502-W511 HydrophobicContact CG2-CG 4Å
503	K	89.9	Confident	95.1	Very high	102 Å²	102	35.7 Å²	35.7	44%	0.443	20%	0.202	S	C	.	.			trans	-122.3	159.8	177.3	-57.4	-177	-175.3	-173.6	0	110.4	N325 F328 Y501 N508	N325-K503 PolarHBondContact O-NZ 2.84Å; F328-K503 HydrophobicContact CE1-CD 3.9Å; F328-K503 HydrophobicContact CE1-CG 4.22Å; F328-K503 HydrophobicContact CZ-CD 4.11Å; F328-K503 HydrophobicContact CZ-CG 3.94Å; Y501-K503 HydrophobicContact CD1-CG 4.49Å; K503-N508 WeakPolarHBondContact CA-OD1 3.43Å
504	G	90.2	Very high	95	Very high	76 Å²	76	40 Å²	40	78%	0.784	22%	0.221	S	C	*	.	S	Bend	trans	82.6	11.8	174.6	0	0	0	0	0	114.9	N508	G504-N508 PolarHBondContact N-OD1 3.08Å
505	K	93.5	Very high	94.8	Very high	66 Å²	66	41.4 Å²	41.4	29%	0.287	23%	0.229	S	C	.	.	S	Bend	trans	-98.1	158.9	166.8	-53	-63.3	-176	171.7	0	109.1	T502 N508 W511 E566 I600	T502-K505 HydrophobicContact CG2-CG 3.81Å; K505-N508 WeakPolarHBondContact CA-OD1 3.25Å; K505-N508 WeakPolarHBondContact CB-OD1 3.48Å; K505-N508 PolarHBondContact N-OD1 3.3Å; K505-N508 PolarHBondContact O-ND2 3.32Å; K505-N508 PolarHBondContact O-OD1 3.4Å; K505-W511 HydrophobicContact CB-CE3 4.06Å; K505-W511 HydrophobicContact CB-CH2 4.19Å; K505-W511 HydrophobicContact CB-CZ3 3.68Å; K505-W511 HydrophobicContact CD-CE3 4.46Å; K505-W511 HydrophobicContact CD-CH2 3.66Å; K505-W511 HydrophobicContact CD-CZ2 3.81Å; K505-W511 HydrophobicContact CD-CZ3 3.99Å; K505-W511 HydrophobicContact CG-CD2 4.1Å; K505-W511 HydrophobicContact CG-CE3 3.76Å; K505-W511 HydrophobicContact CG-CH2 3.84Å; K505-W511 HydrophobicContact CG-CZ2 4.15Å; K505-W511 HydrophobicContact CG-CZ3 3.62Å; K505-E566 WeakPolarHBondContact CB-OE1 3.48Å; K505-I600 PolarHBondContact NZ-O 3.21Å
506	L	93.9	Very high	94.7	Very high	89 Å²	89	41.2 Å²	41.2	47%	0.466	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.9	174.3	-174.3	63.6	0	0	0	110.6	E565 E566 N569	L506-E565 HydrophobicContact CD2-CB 3.82Å; L506-E566 VanDerWaalsContact CA-OE1 3.31Å; L506-E566 WeakPolarHBondContact CA-OE1 3.27Å; L506-E566 WeakPolarHBondContact CB-OE1 3.2Å; L506-E566 PolarHBondContact N-OE1 2.94Å; L506-N569 HydrophobicContact CD2-CB 4.08Å
507	H	95.5	Very high	94.7	Very high	31 Å²	31	43.2 Å²	43.2	14%	0.144	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	74.8	176.5	-57.6	-77.7	0	0	0	110.4	D509 L510 H562 E565 E566	H507-D509 PolarHBondContact O-N 3.45Å; H507-D509 VanDerWaalsContact O-N 3.09Å; H507-L510 HydrophobicContact CB-CD1 4.05Å; H507-L510 HydrophobicContact CB-CG 4.16Å; H507-L510 WeakPolarHBondContact O-CB 3.41Å; H507-L510 PolarHBondContact O-N 3.14Å; H507-H562 HydrophobicContact CB-CB 3.88Å; H507-H562 PolarHBondContact CD2-O 2.93Å; H507-H562 AromaticContact CE1-CD2 3.46Å; H507-H562 PolarHBondContact CE1-CD2 2.91Å; H507-H562 VanDerWaalsContact CE1-CD2 3.46Å; H507-H562 AromaticContact CE1-CG 3.86Å; H507-H562 AromaticContact CE1-NE2 3.86Å; H507-H562 AromaticContact CG-CD2 3.93Å; H507-H562 AromaticContact CG-CG 3.52Å; H507-H562 AromaticContact CG-ND1 3.8Å; H507-H562 AromaticContact ND1-CD2 3.36Å; H507-H562 PolarHBondContact ND1-CD2 2.89Å; H507-H562 AromaticContact ND1-CE1 3.65Å; H507-H562 AromaticContact ND1-CG 3.38Å; H507-H562 AromaticContact ND1-ND1 3.55Å; H507-H562 AromaticContact ND1-NE2 3.56Å; H507-E565 IonicContact CE1-OE2 3.68Å; H507-E565 PolarHBondContact CE1-OE2 2.85Å; H507-E565 VanDerWaalsContact NE2-CB 3.28Å; H507-E565 WeakPolarHBondContact NE2-CB 3.48Å; H507-E565 IonicContact NE2-OE2 3.75Å; H507-E565 PolarHBondContact NE2-OE2 3.09Å; H507-E566 PolarHBondContact N-OE1 2.82Å
508	N	96.1	Very high	94.6	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.08	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-51.9	-34.6	-176.8	-64	-55	0	0	0	113.8	Y501 T502 K503 G504 K505 L510 W511	Y501-N508 HydrophobicContact CE1-CB 4.36Å; Y501-N508 HydrophobicContact CE2-CB 3.87Å; Y501-N508 VanDerWaalsContact OH-CB 3.29Å; Y501-N508 WeakPolarHBondContact OH-CB 3.4Å; T502-N508 WeakPolarHBondContact O-CB 3.19Å; T502-N508 PolarHBondContact O-OD1 2.85Å; K503-N508 WeakPolarHBondContact CA-OD1 3.43Å; G504-N508 PolarHBondContact N-OD1 3.08Å; K505-N508 WeakPolarHBondContact CA-OD1 3.25Å; K505-N508 WeakPolarHBondContact CB-OD1 3.48Å; K505-N508 PolarHBondContact N-OD1 3.3Å; K505-N508 PolarHBondContact O-ND2 3.32Å; K505-N508 PolarHBondContact O-OD1 3.4Å; N508-L510 PolarHBondContact O-N 3.4Å; N508-L510 VanDerWaalsContact O-N 3.16Å; N508-W511 PolarHBondContact O-N 2.92Å
509	D	97.5	Very high	94.7	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.043	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.1	179	-73.6	-21	0	0	0	114.1	P297 F298 Y501 H507 W511 Q512 Y524	P297-D509 WeakPolarHBondContact CA-OD1 3.49Å; F298-D509 VanDerWaalsContact CA-OD2 3.29Å; F298-D509 WeakPolarHBondContact CA-OD2 3.29Å; F298-D509 HydrophobicContact CD1-CB 4.09Å; F298-D509 HydrophobicContact CE1-CB 3.83Å; F298-D509 HydrophobicContact CZ-CB 4.36Å; F298-D509 VanDerWaalsContact N-CG 3.34Å; F298-D509 PolarHBondContact N-OD1 3.17Å; F298-D509 PolarHBondContact N-OD2 2.84Å; F298-D509 VanDerWaalsContact N-OD2 3.14Å; Y501-D509 PolarHBondContact OH-OD1 3.22Å; H507-D509 PolarHBondContact O-N 3.45Å; H507-D509 VanDerWaalsContact O-N 3.09Å; D509-W511 PolarHBondContact O-N 2.94Å; D509-Q512 WeakPolarHBondContact O-CB 3.47Å; D509-Q512 PolarHBondContact O-N 3.24Å; D509-Y524 HydrophobicContact CB-CE2 4.08Å; D509-Y524 WeakPolarHBondContact CB-OH 3.29Å; D509-Y524 WeakPolarHBondContact O-CE2 3.44Å
510	L	97.6	Very high	95	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.9	172.8	-75.7	175.7	0	0	0	112.3	H507 N508 Q512 W520 Y524 F559 H562 E566 W602	H507-L510 HydrophobicContact CB-CD1 4.05Å; H507-L510 HydrophobicContact CB-CG 4.16Å; H507-L510 WeakPolarHBondContact O-CB 3.41Å; H507-L510 PolarHBondContact O-N 3.14Å; N508-L510 PolarHBondContact O-N 3.4Å; N508-L510 VanDerWaalsContact O-N 3.16Å; L510-Q512 VanDerWaalsContact C-N 3.32Å; L510-W520 PolarHBondContact O-NE1 3Å; L510-Y524 HydrophobicContact CD2-CD1 4.02Å; L510-Y524 HydrophobicContact CD2-CE1 3.62Å; L510-Y524 HydrophobicContact CD2-CE2 4.28Å; L510-Y524 HydrophobicContact CD2-CG 4.48Å; L510-Y524 HydrophobicContact CG-CE1 4.41Å; L510-F559 HydrophobicContact CD2-CD2 3.86Å; L510-F559 HydrophobicContact CD2-CE2 4.08Å; L510-H562 HydrophobicContact CD1-CB 3.9Å; L510-H562 HydrophobicContact CD2-CB 4.18Å; L510-H562 HydrophobicContact CG-CB 4.12Å; L510-E566 HydrophobicContact CD1-CG 3.83Å; L510-W602 PolarHBondContact O-NE1 2.76Å
511	W	97.6	Very high	95.3	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.038	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-85.1	2.8	178.1	-78.1	-103.7	0	0	0	113.6	T502 K505 N508 D509 T513 E566 I600 G601 W602 H605	T502-W511 HydrophobicContact CG2-CB 4.11Å; T502-W511 HydrophobicContact CG2-CD2 4.36Å; T502-W511 HydrophobicContact CG2-CG 4Å; K505-W511 HydrophobicContact CB-CE3 4.06Å; K505-W511 HydrophobicContact CB-CH2 4.19Å; K505-W511 HydrophobicContact CB-CZ3 3.68Å; K505-W511 HydrophobicContact CD-CE3 4.46Å; K505-W511 HydrophobicContact CD-CH2 3.66Å; K505-W511 HydrophobicContact CD-CZ2 3.81Å; K505-W511 HydrophobicContact CD-CZ3 3.99Å; K505-W511 HydrophobicContact CG-CD2 4.1Å; K505-W511 HydrophobicContact CG-CE3 3.76Å; K505-W511 HydrophobicContact CG-CH2 3.84Å; K505-W511 HydrophobicContact CG-CZ2 4.15Å; K505-W511 HydrophobicContact CG-CZ3 3.62Å; N508-W511 PolarHBondContact O-N 2.92Å; D509-W511 PolarHBondContact O-N 2.94Å; W511-T513 VanDerWaalsContact C-N 3.31Å; W511-T513 PolarHBondContact O-N 2.82Å; W511-E566 HydrophobicContact CH2-CG 4.18Å; W511-E566 HydrophobicContact CZ3-CG 4.15Å; W511-I600 WeakPolarHBondContact CZ2-O 3.25Å; W511-G601 PolarHBondContact NE1-O 3.18Å; W511-W602 AromaticContact CD1-CD1 3.99Å; W511-W602 AromaticContact CD2-CD1 3.73Å; W511-W602 AromaticContact CE2-CD1 3.5Å; W511-W602 VanDerWaalsContact CE2-CD1 3.5Å; W511-W602 HydrophobicContact CZ2-CB 3.87Å; W511-W602 AromaticContact CZ2-CD1 3.87Å; W511-W602 HydrophobicContact CZ2-CG 4.12Å; W511-W602 AromaticContact NE1-CD1 3.66Å; W511-H605 AromaticContact CD1-CE1 3.33Å; W511-H605 AromaticContact CD1-ND1 3.85Å; W511-H605 AromaticContact CD1-NE2 3.44Å; W511-H605 AromaticContact CG-NE2 3.93Å; W511-H605 PolarHBondContact O-CD2 2.77Å; W511-H605 VanDerWaalsContact O-CD2 3.27Å; W511-H605 PolarHBondContact O-NE2 3.45Å
512	Q	97.2	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	15.6	-173.9	-67.1	-65.4	-68	0	0	115.2	P297 F298 Y501 D509 L510 M514 N516	P297-Q512 HydrophobicContact CB-CG 4.16Å; F298-Q512 HydrophobicContact CE2-CB 3.85Å; F298-Q512 HydrophobicContact CE2-CG 4.3Å; F298-Q512 HydrophobicContact CZ-CB 3.73Å; F298-Q512 HydrophobicContact CZ-CG 4.42Å; Y501-Q512 HydrophobicContact CD2-CG 4.11Å; Y501-Q512 HydrophobicContact CE2-CG 4.1Å; D509-Q512 WeakPolarHBondContact O-CB 3.47Å; D509-Q512 PolarHBondContact O-N 3.24Å; L510-Q512 VanDerWaalsContact C-N 3.32Å; Q512-M514 PolarHBondContact O-N 3.3Å; Q512-M514 VanDerWaalsContact O-N 3.14Å; Q512-N516 HydrophobicContact CB-CB 4.46Å; Q512-N516 CarbonylContact O-C 3.49Å; Q512-N516 PolarHBondContact O-N 3.5Å; Q512-N516 PolarHBondContact OE1-ND2 3.16Å
513	T	95.8	Very high	95.6	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.7	-178.7	56.1	0	0	0	0	114.6	W511 P517 W520 H605 V609	W511-T513 VanDerWaalsContact C-N 3.31Å; W511-T513 PolarHBondContact O-N 2.82Å; T513-P517 WeakPolarHBondContact O-CA 3.38Å; T513-P517 WeakPolarHBondContact O-CB 3.3Å; T513-W520 HydrophobicContact CG2-CD2 3.65Å; T513-W520 HydrophobicContact CG2-CE3 4.21Å; T513-W520 HydrophobicContact CG2-CG 4.06Å; T513-W520 HydrophobicContact CG2-CH2 4.24Å; T513-W520 HydrophobicContact CG2-CZ2 3.66Å; T513-W520 HydrophobicContact CG2-CZ3 4.47Å; T513-H605 HydrophobicContact CG2-CB 4.2Å; T513-H605 PolarHBondContact OG1-CD2 2.84Å; T513-H605 VanDerWaalsContact OG1-CD2 3.29Å; T513-V609 HydrophobicContact CG2-CG2 4.21Å
514	M	94.3	Very high	96	Very high	102 Å²	102	35.6 Å²	35.6	50%	0.502	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-44.3	-173	-61	-62.4	-167	0	0	113.1	Q512 H608	Q512-M514 PolarHBondContact O-N 3.3Å; Q512-M514 VanDerWaalsContact O-N 3.14Å; M514-H608 HydrophobicContact CE-CB 3.37Å; M514-H608 WeakPolarHBondContact CE-ND1 3.01Å; M514-H608 HydrophobicContact SD-CB 4.25Å; M514-H608 VanDerWaalsContact SD-CG 3.6Å; M514-H608 PolarHBondContact SD-ND1 3.08Å
515	D	94.7	Very high	96.4	Very high	37 Å²	37	32 Å²	32	20%	0.198	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-39.3	-174.3	-61.9	-50.5	0	0	0	111.9	P517	D515-P517 VanDerWaalsContact C-CD 3.44Å; D515-P517 WeakPolarHBondContact O-CD 3.38Å
516	N	97	Very high	96.6	Very high	6 Å²	6	30 Å²	30	3%	0.032	15%	0.15	C	C	.	.	S	Bend	trans	-129.5	59.8	-177.7	-67.1	-75.3	0	0	0	110.8	F298 T496 D497 Q512 Q518 D519 W520	F298-N516 HydrophobicContact CD2-CB 4.43Å; F298-N516 HydrophobicContact CE2-CB 3.68Å; T496-N516 WeakPolarHBondContact CA-OD1 3.37Å; D497-N516 PolarHBondContact N-OD1 2.94Å; D497-N516 PolarHBondContact O-ND2 3.03Å; Q512-N516 HydrophobicContact CB-CB 4.46Å; Q512-N516 CarbonylContact O-C 3.49Å; Q512-N516 PolarHBondContact O-N 3.5Å; Q512-N516 PolarHBondContact OE1-ND2 3.16Å; N516-Q518 VanDerWaalsContact C-N 3.26Å; N516-Q518 PolarHBondContact O-N 3.29Å; N516-D519 HydrophobicContact CB-CB 4.32Å; N516-D519 PolarHBondContact O-N 2.94Å; N516-W520 WeakPolarHBondContact O-CB 3.45Å; N516-W520 PolarHBondContact O-N 3.15Å
517	P	96.2	Very high	96.8	Very high	45 Å²	45	30.5 Å²	30.5	29%	0.292	16%	0.158	S	C	.	.	H	α-helix	trans	-64.8	-27	-166.7	25.1	-35.2	0	0	0	113.9	T513 D515 E521	T513-P517 WeakPolarHBondContact O-CA 3.38Å; T513-P517 WeakPolarHBondContact O-CB 3.3Å; D515-P517 VanDerWaalsContact C-CD 3.44Å; D515-P517 WeakPolarHBondContact O-CD 3.38Å; P517-E521 WeakPolarHBondContact O-CB 3.47Å; P517-E521 PolarHBondContact O-N 2.98Å; P517-E521 VanDerWaalsContact O-N 3.13Å
518	Q	95.7	Very high	96.8	Very high	80 Å²	80	33.4 Å²	33.4	37%	0.374	17%	0.172	S	C	.	.	H	α-helix	trans	-82.9	-40.8	-178.5	-64	-174.4	-36.5	0	0	111.5	N516 E521 E522	N516-Q518 VanDerWaalsContact C-N 3.26Å; N516-Q518 PolarHBondContact O-N 3.29Å; Q518-E521 PolarHBondContact O-N 2.7Å; Q518-E522 VanDerWaalsContact O-CG 3.3Å; Q518-E522 WeakPolarHBondContact O-CG 3.42Å; Q518-E522 PolarHBondContact O-N 3.22Å
519	D	96.6	Very high	96.9	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-44.6	170.6	-67.1	-99.9	0	0	0	111.9	F298 R301 R409 Y494 N516 E521 E522 Q523	F298-D519 HydrophobicContact CD1-CB 4.39Å; F298-D519 HydrophobicContact CD2-CB 3.43Å; F298-D519 VanDerWaalsContact CD2-CB 3.43Å; F298-D519 HydrophobicContact CE1-CB 4.27Å; F298-D519 HydrophobicContact CE2-CB 3.31Å; F298-D519 HydrophobicContact CG-CB 3.99Å; F298-D519 HydrophobicContact CZ-CB 3.75Å; R301-D519 IonicContact NH1-OD1 3.31Å; R409-D519 IonicContact NH1-OD2 3.72Å; Y494-D519 WeakPolarHBondContact CE2-OD1 3.43Å; Y494-D519 VanDerWaalsContact CE2-OD2 3.27Å; Y494-D519 WeakPolarHBondContact CE2-OD2 3.34Å; Y494-D519 PolarHBondContact OH-OD1 2.86Å; N516-D519 HydrophobicContact CB-CB 4.32Å; N516-D519 PolarHBondContact O-N 2.94Å; D519-E521 VanDerWaalsContact C-N 3.31Å; D519-E521 PolarHBondContact O-N 3.42Å; D519-E522 PolarHBondContact O-N 3.18Å; D519-Q523 PolarHBondContact O-N 2.82Å; D519-Q523 VanDerWaalsContact O-N 3.08Å
520	W	97.8	Very high	96.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-44.5	175.8	-169	97.9	0	0	0	111.3	F298 L510 T513 N516 Q523 Y524 I525 F559 W602 V609 Y613	F298-W520 HydrophobicContact CZ-CB 3.95Å; L510-W520 PolarHBondContact O-NE1 3Å; T513-W520 HydrophobicContact CG2-CD2 3.65Å; T513-W520 HydrophobicContact CG2-CE3 4.21Å; T513-W520 HydrophobicContact CG2-CG 4.06Å; T513-W520 HydrophobicContact CG2-CH2 4.24Å; T513-W520 HydrophobicContact CG2-CZ2 3.66Å; T513-W520 HydrophobicContact CG2-CZ3 4.47Å; N516-W520 WeakPolarHBondContact O-CB 3.45Å; N516-W520 PolarHBondContact O-N 3.15Å; W520-Q523 PolarHBondContact O-N 2.81Å; W520-Y524 AromaticContact CD1-CD2 3.46Å; W520-Y524 VanDerWaalsContact CD1-CD2 3.46Å; W520-Y524 AromaticContact CD1-CE2 3.8Å; W520-Y524 AromaticContact CD2-CD2 3.76Å; W520-Y524 HydrophobicContact CD2-CD2 3.76Å; W520-Y524 HydrophobicContact CD2-CG 4.34Å; W520-Y524 AromaticContact CE2-CD2 3.48Å; W520-Y524 VanDerWaalsContact CE2-CD2 3.48Å; W520-Y524 AromaticContact CE2-CG 3.95Å; W520-Y524 AromaticContact CG-CD2 3.72Å; W520-Y524 HydrophobicContact CG-CD2 3.72Å; W520-Y524 HydrophobicContact CG-CE2 4.42Å; W520-Y524 HydrophobicContact CZ2-CD2 4.13Å; W520-Y524 HydrophobicContact CZ2-CG 4.14Å; W520-Y524 AromaticContact NE1-CD2 3.33Å; W520-Y524 VanDerWaalsContact NE1-CD2 3.33Å; W520-Y524 AromaticContact NE1-CE2 3.77Å; W520-Y524 WeakPolarHBondContact O-CB 3.4Å; W520-Y524 PolarHBondContact O-N 3.09Å; W520-I525 HydrophobicContact CE3-CG1 4.46Å; W520-I525 HydrophobicContact CH2-CD1 4.31Å; W520-I525 HydrophobicContact CZ3-CD1 3.72Å; W520-I525 HydrophobicContact CZ3-CG1 3.85Å; W520-F559 HydrophobicContact CH2-CD2 4.42Å; W520-F559 HydrophobicContact CH2-CE2 4.41Å; W520-F559 HydrophobicContact CZ2-CD2 4.15Å; W520-F559 HydrophobicContact CZ2-CE2 4.1Å; W520-W602 HydrophobicContact CZ2-CZ2 4.28Å; W520-V609 HydrophobicContact CH2-CG2 3.49Å; W520-V609 VanDerWaalsContact CH2-CG2 3.49Å; W520-V609 HydrophobicContact CZ2-CG2 4.14Å; W520-V609 HydrophobicContact CZ3-CG2 3.92Å; W520-Y613 HydrophobicContact CZ3-CE2 4.16Å
521	E	97.7	Very high	96.8	Very high	46 Å²	46	40.3 Å²	40.3	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-46.2	177.7	179.6	168.4	122.5	0	0	112.1	P517 Q518 D519 Q523 I525 F530 K612 Y613	P517-E521 WeakPolarHBondContact O-CB 3.47Å; P517-E521 PolarHBondContact O-N 2.98Å; P517-E521 VanDerWaalsContact O-N 3.13Å; Q518-E521 PolarHBondContact O-N 2.7Å; D519-E521 VanDerWaalsContact C-N 3.31Å; D519-E521 PolarHBondContact O-N 3.42Å; E521-Q523 VanDerWaalsContact C-N 3.28Å; E521-Q523 PolarHBondContact O-N 3.26Å; E521-I525 HydrophobicContact CG-CB 4.27Å; E521-I525 HydrophobicContact CG-CG1 4.12Å; E521-I525 VanDerWaalsContact O-CB 3.32Å; E521-I525 WeakPolarHBondContact O-CB 3.41Å; E521-I525 PolarHBondContact O-N 3.03Å; E521-F530 HydrophobicContact CG-CE1 4.16Å; E521-F530 HydrophobicContact CG-CZ 3.51Å; E521-F530 VanDerWaalsContact OE1-CE1 3.23Å; E521-F530 WeakPolarHBondContact OE1-CE1 3.24Å; E521-F530 WeakPolarHBondContact OE1-CZ 3.42Å; E521-K612 WeakPolarHBondContact OE2-CE 3.38Å; E521-K612 IonicContact OE2-NZ 3.38Å; E521-K612 PolarHBondContact OE2-NZ 3.38Å; E521-Y613 WeakPolarHBondContact CB-OH 3.45Å; E521-Y613 HydrophobicContact CG-CE1 4.15Å; E521-Y613 WeakPolarHBondContact CG-OH 3.48Å; E521-Y613 WeakPolarHBondContact OE2-CE1 3.32Å; E521-Y613 VanDerWaalsContact OE2-CZ 3.29Å; E521-Y613 PolarHBondContact OE2-OH 3.4Å
522	E	95.9	Very high	96.7	Very high	88 Å²	88	41.6 Å²	41.6	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-30.7	179.4	-71.6	166.5	-157	0	0	112.6	R301 R409 Q518 D519	R301-E522 IonicContact CZ-OE2 3.32Å; R301-E522 IonicContact NH1-OE2 3.9Å; R301-E522 PolarHBondContact NH1-OE2 3.46Å; R301-E522 IonicContact NH2-OE2 3.36Å; R301-E522 PolarHBondContact NH2-OE2 3.44Å; R409-E522 IonicContact CZ-OE1 2.65Å; R409-E522 VanDerWaalsContact CZ-OE1 3.31Å; R409-E522 IonicContact NH1-OE1 2.73Å; R409-E522 PolarHBondContact NH1-OE1 3.3Å; R409-E522 IonicContact NH1-OE2 3.21Å; R409-E522 IonicContact NH2-OE1 2.54Å; R409-E522 PolarHBondContact NH2-OE1 3.37Å; Q518-E522 VanDerWaalsContact O-CG 3.3Å; Q518-E522 WeakPolarHBondContact O-CG 3.42Å; Q518-E522 PolarHBondContact O-N 3.22Å; D519-E522 PolarHBondContact O-N 3.18Å
523	Q	97.2	Very high	96.6	Very high	39 Å²	39	42.8 Å²	42.8	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-86.5	-40	178.7	-176.3	156.4	-42.5	0	0	113.7	F298 D519 W520 E521 S556 T558	F298-Q523 VanDerWaalsContact CD1-OE1 3.27Å; F298-Q523 HydrophobicContact CE1-CB 4.3Å; D519-Q523 PolarHBondContact O-N 2.82Å; D519-Q523 VanDerWaalsContact O-N 3.08Å; W520-Q523 PolarHBondContact O-N 2.81Å; E521-Q523 VanDerWaalsContact C-N 3.28Å; E521-Q523 PolarHBondContact O-N 3.26Å; Q523-S556 WeakPolarHBondContact O-CB 3.35Å; Q523-S556 PolarHBondContact O-OG 3.14Å; Q523-T558 HydrophobicContact CG-CG2 4.22Å
524	Y	98.5	Very high	96.6	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-113.7	-16.4	-163.6	-65.5	-58.3	0	0	0	115.4	F298 D509 L510 W520 V555 S556 T558 F559 H562	F298-Y524 HydrophobicContact CE1-CE2 4.18Å; D509-Y524 HydrophobicContact CB-CE2 4.08Å; D509-Y524 WeakPolarHBondContact CB-OH 3.29Å; D509-Y524 WeakPolarHBondContact O-CE2 3.44Å; L510-Y524 HydrophobicContact CD2-CD1 4.02Å; L510-Y524 HydrophobicContact CD2-CE1 3.62Å; L510-Y524 HydrophobicContact CD2-CE2 4.28Å; L510-Y524 HydrophobicContact CD2-CG 4.48Å; L510-Y524 HydrophobicContact CG-CE1 4.41Å; W520-Y524 AromaticContact CD1-CD2 3.46Å; W520-Y524 VanDerWaalsContact CD1-CD2 3.46Å; W520-Y524 AromaticContact CD1-CE2 3.8Å; W520-Y524 AromaticContact CD2-CD2 3.76Å; W520-Y524 HydrophobicContact CD2-CD2 3.76Å; W520-Y524 HydrophobicContact CD2-CG 4.34Å; W520-Y524 AromaticContact CE2-CD2 3.48Å; W520-Y524 VanDerWaalsContact CE2-CD2 3.48Å; W520-Y524 AromaticContact CE2-CG 3.95Å; W520-Y524 AromaticContact CG-CD2 3.72Å; W520-Y524 HydrophobicContact CG-CD2 3.72Å; W520-Y524 HydrophobicContact CG-CE2 4.42Å; W520-Y524 HydrophobicContact CZ2-CD2 4.13Å; W520-Y524 HydrophobicContact CZ2-CG 4.14Å; W520-Y524 AromaticContact NE1-CD2 3.33Å; W520-Y524 VanDerWaalsContact NE1-CD2 3.33Å; W520-Y524 AromaticContact NE1-CE2 3.77Å; W520-Y524 WeakPolarHBondContact O-CB 3.4Å; W520-Y524 PolarHBondContact O-N 3.09Å; Y524-V555 CarbonylContact O-C 3.53Å; Y524-V555 WeakPolarHBondContact O-CA 3.43Å; Y524-S556 WeakPolarHBondContact CA-OG 3.32Å; Y524-S556 PolarHBondContact O-N 3.16Å; Y524-T558 HydrophobicContact CE1-CG2 4.1Å; Y524-F559 HydrophobicContact CD1-CB 3.71Å; Y524-F559 HydrophobicContact CD1-CD2 4.06Å; Y524-F559 HydrophobicContact CD1-CG 4.4Å; Y524-F559 HydrophobicContact CG-CB 4.36Å; Y524-F559 HydrophobicContact CG-CD2 4.22Å; Y524-H562 AromaticContact CE1-ND1 3.56Å; Y524-H562 AromaticContact CZ-ND1 3.8Å; Y524-H562 PolarHBondContact OH-ND1 2.96Å; Y524-H562 VanDerWaalsContact OH-ND1 3.1Å
525	I	98.4	Very high	96.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-88	139.6	172.1	-63.6	-59.9	0	0	0	109.9	W520 E521 Y529 F530 Y613	W520-I525 HydrophobicContact CE3-CG1 4.46Å; W520-I525 HydrophobicContact CH2-CD1 4.31Å; W520-I525 HydrophobicContact CZ3-CD1 3.72Å; W520-I525 HydrophobicContact CZ3-CG1 3.85Å; E521-I525 HydrophobicContact CG-CB 4.27Å; E521-I525 HydrophobicContact CG-CG1 4.12Å; E521-I525 VanDerWaalsContact O-CB 3.32Å; E521-I525 WeakPolarHBondContact O-CB 3.41Å; E521-I525 PolarHBondContact O-N 3.03Å; I525-Y529 HydrophobicContact CG2-CD1 3.64Å; I525-Y529 HydrophobicContact CG2-CG 3.79Å; I525-F530 HydrophobicContact CB-CZ 4.35Å; I525-F530 HydrophobicContact CG2-CE2 3.92Å; I525-F530 HydrophobicContact CG2-CZ 3.81Å; I525-Y613 HydrophobicContact CD1-CD1 4.04Å; I525-Y613 HydrophobicContact CD1-CD2 3.75Å; I525-Y613 HydrophobicContact CD1-CE1 4.05Å; I525-Y613 HydrophobicContact CD1-CE2 3.74Å; I525-Y613 HydrophobicContact CD1-CG 3.9Å; I525-Y613 HydrophobicContact CG1-CD1 4.16Å; I525-Y613 HydrophobicContact CG1-CD2 4.41Å; I525-Y613 HydrophobicContact CG1-CE1 3.72Å; I525-Y613 HydrophobicContact CG1-CE2 3.97Å; I525-Y613 HydrophobicContact CG1-CG 4.49Å
526	H	98.3	Very high	96.6	Very high	24 Å²	24	52.7 Å²	52.7	11%	0.111	27%	0.272	C	S	.	.			trans	-61.8	129.7	-179.7	-167.7	-76.9	0	0	0	109.9	Q528 Y529 P553 L554 V555 W690	H526-Q528 WeakPolarHBondContact ND1-CB 3.35Å; H526-Q528 PolarHBondContact ND1-N 2.73Å; H526-Q528 VanDerWaalsContact ND1-N 3.13Å; H526-Q528 PolarHBondContact O-N 3.22Å; H526-Y529 WeakPolarHBondContact O-CB 3.41Å; H526-Y529 PolarHBondContact O-N 2.86Å; H526-P553 HydrophobicContact CB-CB 3.93Å; H526-P553 VanDerWaalsContact CG-CB 3.47Å; H526-P553 VanDerWaalsContact ND1-CB 3.34Å; H526-P553 WeakPolarHBondContact ND1-CB 3.27Å; H526-L554 PolarHBondContact N-O 3.44Å; H526-V555 WeakPolarHBondContact CB-O 3.3Å; H526-V555 PolarHBondContact CD2-O 3.21Å; H526-W690 AromaticContact NE2-NE1 3.68Å
527	P	96.6	Very high	96.5	Very high	99 Å²	99	53.7 Å²	53.7	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.5	-175.8	-28.7	34.9	0	0	0	114.1	Y529	P527-Y529 VanDerWaalsContact C-N 3.33Å; P527-Y529 PolarHBondContact O-N 3.41Å
528	Q	97	Very high	96.4	Very high	91 Å²	91	54.5 Å²	54.5	43%	0.425	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.4	176.5	-61.1	179.3	-9.1	0	0	114.4	H526 F530 N531 F532 P553	H526-Q528 WeakPolarHBondContact ND1-CB 3.35Å; H526-Q528 PolarHBondContact ND1-N 2.73Å; H526-Q528 VanDerWaalsContact ND1-N 3.13Å; H526-Q528 PolarHBondContact O-N 3.22Å; Q528-F530 PolarHBondContact O-N 3.22Å; Q528-F530 VanDerWaalsContact O-N 3.16Å; Q528-N531 WeakPolarHBondContact O-CB 3.49Å; Q528-N531 PolarHBondContact O-N 2.98Å; Q528-F532 WeakPolarHBondContact O-CD2 3.34Å; Q528-P553 HydrophobicContact CB-CB 4.32Å; Q528-P553 HydrophobicContact CB-CG 3.81Å
529	Y	97.9	Very high	96.3	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-51.3	-42.2	-179.8	166.3	-92.8	0	0	0	111.5	I525 H526 P527 N531 F532 A533 L554 Y613 I617	I525-Y529 HydrophobicContact CG2-CD1 3.64Å; I525-Y529 HydrophobicContact CG2-CG 3.79Å; H526-Y529 WeakPolarHBondContact O-CB 3.41Å; H526-Y529 PolarHBondContact O-N 2.86Å; P527-Y529 VanDerWaalsContact C-N 3.33Å; P527-Y529 PolarHBondContact O-N 3.41Å; Y529-N531 PolarHBondContact O-N 3.28Å; Y529-F532 WeakPolarHBondContact O-CA 3.29Å; Y529-F532 WeakPolarHBondContact O-CB 3.48Å; Y529-F532 PolarHBondContact O-N 3.47Å; Y529-A533 HydrophobicContact CD1-CB 4.38Å; Y529-A533 HydrophobicContact CE1-CB 3.78Å; Y529-A533 PolarHBondContact O-N 3.48Å; Y529-L554 HydrophobicContact CD2-CD1 4.18Å; Y529-L554 HydrophobicContact CE2-CD1 4.18Å; Y529-Y613 HydrophobicContact CD1-CD1 4.33Å; Y529-Y613 AromaticContact CE1-CD1 3.63Å; Y529-Y613 HydrophobicContact CE1-CD1 3.63Å; Y529-Y613 HydrophobicContact CE1-CE1 4.44Å; Y529-Y613 AromaticContact CZ-CD1 3.84Å; Y529-Y613 VanDerWaalsContact OH-CA 3.25Å; Y529-Y613 WeakPolarHBondContact OH-CA 3.41Å; Y529-Y613 PolarHBondContact OH-O 3.36Å; Y529-I617 HydrophobicContact CD2-CG1 4.5Å; Y529-I617 HydrophobicContact CE2-CD1 4.02Å; Y529-I617 HydrophobicContact CE2-CG1 3.66Å
530	F	96.4	Very high	96.1	Very high	81 Å²	81	59.3 Å²	59.3	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-24.6	-178.5	-58.8	-74.2	0	0	0	113.7	E521 I525 Q528 K534	E521-F530 HydrophobicContact CG-CE1 4.16Å; E521-F530 HydrophobicContact CG-CZ 3.51Å; E521-F530 VanDerWaalsContact OE1-CE1 3.23Å; E521-F530 WeakPolarHBondContact OE1-CE1 3.24Å; E521-F530 WeakPolarHBondContact OE1-CZ 3.42Å; I525-F530 HydrophobicContact CB-CZ 4.35Å; I525-F530 HydrophobicContact CG2-CE2 3.92Å; I525-F530 HydrophobicContact CG2-CZ 3.81Å; Q528-F530 PolarHBondContact O-N 3.22Å; Q528-F530 VanDerWaalsContact O-N 3.16Å; F530-K534 WeakPolarHBondContact O-CG 3.41Å
531	N	96	Very high	96	Very high	85 Å²	85	63.6 Å²	63.6	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-70.6	-38.9	172.2	-69.1	-36.8	0	0	0	111.4	Q528 Y529 K534 V537	Q528-N531 WeakPolarHBondContact O-CB 3.49Å; Q528-N531 PolarHBondContact O-N 2.98Å; Y529-N531 PolarHBondContact O-N 3.28Å; N531-K534 PolarHBondContact OD1-NZ 3.44Å; N531-K534 VanDerWaalsContact OD1-NZ 3.15Å; N531-V537 VanDerWaalsContact O-CG2 3.24Å; N531-V537 WeakPolarHBondContact O-CG2 3.24Å
532	F	95.6	Very high	95.8	Very high	38 Å²	38	61.8 Å²	61.8	17%	0.167	33%	0.329	C	S	.	.	H	α-helix	trans	-75.4	-26.3	177.8	-70.9	-96.3	0	0	0	112.8	Q528 Y529 K534 V537 I542 F552 P553 I617 K620 W690	Q528-F532 WeakPolarHBondContact O-CD2 3.34Å; Y529-F532 WeakPolarHBondContact O-CA 3.29Å; Y529-F532 WeakPolarHBondContact O-CB 3.48Å; Y529-F532 PolarHBondContact O-N 3.47Å; F532-K534 VanDerWaalsContact C-N 3.32Å; F532-V537 WeakPolarHBondContact O-CG1 3.37Å; F532-I542 HydrophobicContact CD1-CG1 4.08Å; F532-F552 HydrophobicContact CD1-CB 4.29Å; F532-P553 HydrophobicContact CD2-CG 3.57Å; F532-P553 VanDerWaalsContact CE2-CD 3.47Å; F532-P553 HydrophobicContact CE2-CG 3.49Å; F532-P553 VanDerWaalsContact CE2-CG 3.49Å; F532-P553 HydrophobicContact CG-CG 4.45Å; F532-P553 HydrophobicContact CZ-CG 4.31Å; F532-I617 HydrophobicContact CB-CD1 4.25Å; F532-K620 WeakPolarHBondContact O-CE 3.31Å; F532-W690 HydrophobicContact CZ-CH2 4.31Å
533	A	94.9	Very high	95.8	Very high	25 Å²	25	59.9 Å²	59.9	21%	0.207	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.7	179.2	0	0	0	0	0	114.1	Y529 I617	Y529-A533 HydrophobicContact CD1-CB 4.38Å; Y529-A533 HydrophobicContact CE1-CB 3.78Å; Y529-A533 PolarHBondContact O-N 3.48Å; A533-I617 HydrophobicContact CB-CD1 4.36Å
534	K	96	Very high	95.8	Very high	96 Å²	96	62.1 Å²	62.1	42%	0.417	34%	0.339	S	S	.	.	S	Bend	trans	-58.3	144.9	-178.6	-70.6	-179.7	-178.1	168.2	0	112	F530 N531 F532 E536 V537 K620	F530-K534 WeakPolarHBondContact O-CG 3.41Å; N531-K534 PolarHBondContact OD1-NZ 3.44Å; N531-K534 VanDerWaalsContact OD1-NZ 3.15Å; F532-K534 VanDerWaalsContact C-N 3.32Å; K534-E536 WeakPolarHBondContact CB-OE2 3.22Å; K534-E536 PolarHBondContact O-N 3.37Å; K534-V537 HydrophobicContact CB-CG2 4.22Å; K534-V537 PolarHBondContact O-N 2.93Å; K534-K620 WeakPolarHBondContact O-CE 3.48Å; K534-K620 PolarHBondContact O-NZ 3.31Å
535	P	94	Very high	95.7	Very high	112 Å²	112	64.7 Å²	64.7	73%	0.727	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.4	-178.8	-26.4	35.8	0	0	0	114.1	V537	P535-V537 VanDerWaalsContact C-N 3.32Å; P535-V537 PolarHBondContact O-N 3.22Å
536	E	94.5	Very high	95.6	Very high	141 Å²	141	64.8 Å²	64.8	66%	0.659	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.7	-175.2	-51.7	73.2	-154.2	0	0	113.1	K534 T538	K534-E536 WeakPolarHBondContact CB-OE2 3.22Å; K534-E536 PolarHBondContact O-N 3.37Å; E536-T538 PolarHBondContact O-N 2.8Å
537	V	94.7	Very high	95.5	Very high	26 Å²	26	66.8 Å²	66.8	16%	0.158	37%	0.371	C	S	.	.			trans	-71.2	127.2	177.5	173.5	0	0	0	0	109.7	N531 F532 K534 P535 D541 I542 K620	N531-V537 VanDerWaalsContact O-CG2 3.24Å; N531-V537 WeakPolarHBondContact O-CG2 3.24Å; F532-V537 WeakPolarHBondContact O-CG1 3.37Å; K534-V537 HydrophobicContact CB-CG2 4.22Å; K534-V537 PolarHBondContact O-N 2.93Å; P535-V537 VanDerWaalsContact C-N 3.32Å; P535-V537 PolarHBondContact O-N 3.22Å; V537-D541 HydrophobicContact CG1-CB 3.92Å; V537-I542 HydrophobicContact CG1-CG1 4.35Å; V537-K620 PolarHBondContact O-NZ 3.16Å
538	T	94	Very high	95.4	Very high	62 Å²	62	65.9 Å²	65.9	38%	0.38	36%	0.361	S	S	.	.			trans	-111.1	174.7	179.7	66.4	0	0	0	0	111.1	E536 T540 D541	E536-T538 PolarHBondContact O-N 2.8Å; T538-T540 PolarHBondContact O-N 3.06Å; T538-T540 PolarHBondContact OG1-OG1 3.11Å; T538-D541 PolarHBondContact N-OD2 3.1Å; T538-D541 PolarHBondContact O-N 2.64Å; T538-D541 VanDerWaalsContact O-N 3.16Å; T538-D541 PolarHBondContact OG1-OD2 2.92Å
539	M	93.6	Very high	95.4	Very high	64 Å²	64	61.5 Å²	61.5	32%	0.315	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-52.4	-38.3	175.7	-169.5	-174.6	71.3	0	0	112.7	D541 I542 F550 K620	M539-D541 PolarHBondContact O-N 2.77Å; M539-I542 PolarHBondContact O-N 3.03Å; M539-F550 HydrophobicContact CG-CE1 3.52Å; M539-F550 HydrophobicContact CG-CZ 3.8Å; M539-F550 HydrophobicContact SD-CE1 4.08Å; M539-F550 HydrophobicContact SD-CZ 3.8Å; M539-K620 WeakPolarHBondContact CB-O 3.34Å
540	T	93.6	Very high	95.4	Very high	120 Å²	120	61.4 Å²	61.4	74%	0.736	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-71.1	-17.1	-175.6	50.3	0	0	0	0	113.8	T538 I542	T538-T540 PolarHBondContact O-N 3.06Å; T538-T540 PolarHBondContact OG1-OG1 3.11Å; T540-I542 VanDerWaalsContact C-N 3.32Å
541	D	94.3	Very high	95.5	Very high	93 Å²	93	58.7 Å²	58.7	50%	0.497	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-84.9	-11.2	177.2	-56.3	-58	0	0	0	112.1	V537 T538 M539	V537-D541 HydrophobicContact CG1-CB 3.92Å; T538-D541 PolarHBondContact N-OD2 3.1Å; T538-D541 PolarHBondContact O-N 2.64Å; T538-D541 VanDerWaalsContact O-N 3.16Å; T538-D541 PolarHBondContact OG1-OD2 2.92Å; M539-D541 PolarHBondContact O-N 2.77Å
542	I	95.3	Very high	95.5	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	31%	0.306	C	S	.	.	S	Bend	trans	-96.8	129.7	-178.5	-56.9	-178	0	0	0	109.2	F532 V537 M539 T540 Q544 F550 F552 I617 L621	F532-I542 HydrophobicContact CD1-CG1 4.08Å; V537-I542 HydrophobicContact CG1-CG1 4.35Å; M539-I542 PolarHBondContact O-N 3.03Å; T540-I542 VanDerWaalsContact C-N 3.32Å; I542-Q544 PolarHBondContact O-N 2.86Å; I542-F550 HydrophobicContact CG2-CB 4.2Å; I542-F550 HydrophobicContact CG2-CD1 4.42Å; I542-F552 HydrophobicContact CG2-CB 4.19Å; I542-I617 HydrophobicContact CD1-CG2 4.27Å; I542-L621 HydrophobicContact CB-CD2 4.19Å; I542-L621 HydrophobicContact CD1-CD2 3.47Å; I542-L621 VanDerWaalsContact CD1-CD2 3.47Å; I542-L621 HydrophobicContact CD1-CG 4.48Å; I542-L621 HydrophobicContact CG1-CD2 4.36Å; I542-L621 HydrophobicContact CG2-CD2 4.04Å
543	A	95.5	Very high	95.6	Very high	48 Å²	48	52.9 Å²	52.9	40%	0.397	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	132.1	-178.5	0	0	0	0	0	110.9	P545 F550 W551	A543-P545 WeakPolarHBondContact O-CD 3.41Å; A543-F550 CarbonylContact O-C 3.54Å; A543-F550 WeakPolarHBondContact O-CA 3.39Å; A543-W551 HydrophobicContact CB-CB 4.48Å; A543-W551 PolarHBondContact O-N 3.03Å
544	Q	96	Very high	95.8	Very high	86 Å²	86	51.7 Å²	51.7	40%	0.402	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	75.5	-178.6	-167.7	176.6	30.9	0	0	110	I542 C546 V549 F550	I542-Q544 PolarHBondContact O-N 2.86Å; Q544-C546 VanDerWaalsContact CG-O 3.25Å; Q544-C546 WeakPolarHBondContact CG-O 3.36Å; Q544-C546 PolarHBondContact O-N 3.11Å; Q544-V549 CarbonylContact C-O 3.56Å; Q544-V549 VanDerWaalsContact CA-O 3.24Å; Q544-V549 WeakPolarHBondContact CA-O 3.45Å; Q544-V549 WeakPolarHBondContact CG-O 3.37Å; Q544-F550 HydrophobicContact CB-CD1 4.3Å; Q544-F550 HydrophobicContact CB-CE1 4.5Å; Q544-F550 HydrophobicContact CG-CD1 4.19Å; Q544-F550 HydrophobicContact CG-CE1 4.17Å
545	P	96.2	Very high	95.9	Very high	55 Å²	55	47.1 Å²	47.1	36%	0.357	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-26.3	-173.6	22.1	-36	0	0	0	114.9	A543 V549 W551 C681 I683 L692	A543-P545 WeakPolarHBondContact O-CD 3.41Å; P545-V549 WeakPolarHBondContact CD-O 3.46Å; P545-W551 HydrophobicContact CG-CB 4.13Å; P545-C681 PolarHBondContact O-SG 3.43Å; P545-I683 HydrophobicContact CB-CD1 3.93Å; P545-I683 HydrophobicContact CB-CG1 4.13Å; P545-I683 HydrophobicContact CG-CD1 3.48Å; P545-I683 VanDerWaalsContact CG-CD1 3.48Å; P545-I683 HydrophobicContact CG-CG1 4.22Å; P545-L692 HydrophobicContact CG-CD2 4.25Å
546	C	96.5	Very high	96.1	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.8	171	-56	0	0	0	0	108.9	Q544 D548 V549 Y676 C681	Q544-C546 VanDerWaalsContact CG-O 3.25Å; Q544-C546 WeakPolarHBondContact CG-O 3.36Å; Q544-C546 PolarHBondContact O-N 3.11Å; C546-D548 PolarHBondContact O-N 2.93Å; C546-V549 HydrophobicContact CB-CB 3.91Å; C546-V549 HydrophobicContact CB-CG2 3.75Å; C546-V549 PolarHBondContact O-N 2.95Å; C546-Y676 HydrophobicContact CB-CD2 4.31Å; C546-C681 WeakPolarHBondContact CA-SG 3.46Å; C546-C681 HydrophobicContact CB-CB 3.71Å; C546-C681 WeakPolarHBondContact CB-SG 3.34Å; C546-C681 WeakPolarHBondContact SG-CB 3.42Å; C546-C681 CovalentContact SG-SG 2.03Å; C546-C681 PolarHBondContact SG-SG 3.33Å
547	P	96	Very high	96.2	Very high	66 Å²	66	42.1 Å²	42.1	43%	0.429	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	127.1	177.7	-26	34.7	0	0	0	111.6	V549 Y679 H700	P547-V549 PolarHBondContact O-N 3.48Å; P547-V549 VanDerWaalsContact O-N 3.16Å; P547-Y679 HydrophobicContact CB-CD1 4.11Å; P547-Y679 HydrophobicContact CB-CE1 3.95Å; P547-Y679 HydrophobicContact CB-CG 4.45Å; P547-Y679 HydrophobicContact CG-CD1 3.93Å; P547-Y679 HydrophobicContact CG-CE1 4.29Å; P547-Y679 HydrophobicContact CG-CG 4.12Å; P547-H700 PolarHBondContact O-NE2 2.8Å
548	D	95.9	Very high	96.4	Very high	80 Å²	80	43.7 Å²	43.7	43%	0.428	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	21.8	-176.8	-59.9	-40	0	0	0	115.7	C546 P695	C546-D548 PolarHBondContact O-N 2.93Å; D548-P695 HydrophobicContact CB-CG 4.48Å; D548-P695 VanDerWaalsContact O-CD 3.24Å; D548-P695 WeakPolarHBondContact O-CD 3.44Å
549	V	97.4	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.7	171.4	-175.6	0	0	0	0	109.1	Q544 P545 C546 P547 Y676 I683 L692 V693	Q544-V549 CarbonylContact C-O 3.56Å; Q544-V549 VanDerWaalsContact CA-O 3.24Å; Q544-V549 WeakPolarHBondContact CA-O 3.45Å; Q544-V549 WeakPolarHBondContact CG-O 3.37Å; P545-V549 WeakPolarHBondContact CD-O 3.46Å; C546-V549 HydrophobicContact CB-CB 3.91Å; C546-V549 HydrophobicContact CB-CG2 3.75Å; C546-V549 PolarHBondContact O-N 2.95Å; P547-V549 PolarHBondContact O-N 3.48Å; P547-V549 VanDerWaalsContact O-N 3.16Å; V549-Y676 HydrophobicContact CB-CE2 4.31Å; V549-Y676 HydrophobicContact CG1-CE2 3.79Å; V549-Y676 HydrophobicContact CG2-CD1 4.24Å; V549-Y676 HydrophobicContact CG2-CD2 3.99Å; V549-Y676 HydrophobicContact CG2-CE1 3.95Å; V549-Y676 HydrophobicContact CG2-CE2 3.68Å; V549-Y676 HydrophobicContact CG2-CG 4.25Å; V549-I683 HydrophobicContact CG1-CD1 3.72Å; V549-L692 HydrophobicContact CG1-CD2 4.1Å; V549-V693 CarbonylContact C-O 3.36Å; V549-V693 WeakPolarHBondContact CA-O 3.25Å
550	F	97.4	Very high	96.8	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	152.4	-177.6	-58.3	-80.5	0	0	0	111.7	M539 I542 A543 Q544 L621 F622 L692 V693	M539-F550 HydrophobicContact CG-CE1 3.52Å; M539-F550 HydrophobicContact CG-CZ 3.8Å; M539-F550 HydrophobicContact SD-CE1 4.08Å; M539-F550 HydrophobicContact SD-CZ 3.8Å; I542-F550 HydrophobicContact CG2-CB 4.2Å; I542-F550 HydrophobicContact CG2-CD1 4.42Å; A543-F550 CarbonylContact O-C 3.54Å; A543-F550 WeakPolarHBondContact O-CA 3.39Å; Q544-F550 HydrophobicContact CB-CD1 4.3Å; Q544-F550 HydrophobicContact CB-CE1 4.5Å; Q544-F550 HydrophobicContact CG-CD1 4.19Å; Q544-F550 HydrophobicContact CG-CE1 4.17Å; F550-L621 HydrophobicContact CB-CD1 3.79Å; F550-L621 HydrophobicContact CB-CD2 3.79Å; F550-L621 HydrophobicContact CB-CG 4.37Å; F550-L621 HydrophobicContact CD1-CD2 3.63Å; F550-L621 HydrophobicContact CD2-CB 3.99Å; F550-L621 HydrophobicContact CD2-CD1 3.98Å; F550-L621 HydrophobicContact CD2-CD2 3.98Å; F550-L621 HydrophobicContact CD2-CG 4.19Å; F550-L621 HydrophobicContact CE1-CD2 4.14Å; F550-L621 HydrophobicContact CE2-CB 4.05Å; F550-L621 HydrophobicContact CE2-CD2 4.45Å; F550-L621 HydrophobicContact CG-CB 4.42Å; F550-L621 HydrophobicContact CG-CD1 4.01Å; F550-L621 HydrophobicContact CG-CD2 3.52Å; F550-L621 HydrophobicContact CG-CG 4.17Å; F550-F622 HydrophobicContact CD2-CE1 4.41Å; F550-F622 HydrophobicContact CD2-CZ 4.29Å; F550-F622 HydrophobicContact CE2-CD1 4.45Å; F550-F622 AromaticContact CE2-CE1 3.87Å; F550-F622 HydrophobicContact CE2-CE1 3.87Å; F550-F622 HydrophobicContact CE2-CZ 4.2Å; F550-L692 CarbonylContact O-C 3.56Å; F550-L692 WeakPolarHBondContact O-CA 3.34Å; F550-V693 PolarHBondContact N-O 2.69Å; F550-V693 PolarHBondContact O-N 3Å
551	W	97.2	Very high	97	Very high	23 Å²	23	37.6 Å²	37.6	9%	0.087	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	116	-177.1	-160.6	27.7	0	0	0	111.9	A543 P545 R687 W690 A691 L692	A543-W551 HydrophobicContact CB-CB 4.48Å; A543-W551 PolarHBondContact O-N 3.03Å; P545-W551 HydrophobicContact CG-CB 4.13Å; W551-R687 HydrophobicContact CH2-CG 3.72Å; W551-R687 HydrophobicContact CZ2-CB 4Å; W551-R687 HydrophobicContact CZ2-CG 3.68Å; W551-W690 HydrophobicContact CD2-CE3 4.26Å; W551-W690 HydrophobicContact CG-CE3 4.17Å; W551-A691 WeakPolarHBondContact CA-O 3.48Å; W551-L692 HydrophobicContact CB-CD2 3.82Å; W551-L692 HydrophobicContact CD2-CD2 4.14Å; W551-L692 HydrophobicContact CG-CD2 3.55Å; W551-L692 HydrophobicContact CG-CG 4.3Å
552	F	96.9	Very high	97.2	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.6	-176.3	69	-88.6	0	0	0	112.1	F532 I542 L554 I617 L621 W690 A691 V693	F532-F552 HydrophobicContact CD1-CB 4.29Å; I542-F552 HydrophobicContact CG2-CB 4.19Å; F552-L554 HydrophobicContact CD2-CB 4.46Å; F552-L554 HydrophobicContact CE2-CB 3.95Å; F552-L554 HydrophobicContact CE2-CD1 4.09Å; F552-L554 HydrophobicContact CE2-CG 4.41Å; F552-I617 HydrophobicContact CD1-CG2 3.87Å; F552-I617 HydrophobicContact CD2-CG1 4.31Å; F552-I617 HydrophobicContact CD2-CG2 4.18Å; F552-I617 HydrophobicContact CE1-CB 4.49Å; F552-I617 HydrophobicContact CE1-CG2 3.64Å; F552-I617 HydrophobicContact CE2-CB 4.23Å; F552-I617 HydrophobicContact CE2-CG1 3.96Å; F552-I617 HydrophobicContact CE2-CG2 4Å; F552-I617 HydrophobicContact CG-CG2 4.13Å; F552-I617 HydrophobicContact CZ-CB 4.11Å; F552-I617 HydrophobicContact CZ-CG1 4.35Å; F552-I617 HydrophobicContact CZ-CG2 3.73Å; F552-L621 HydrophobicContact CD1-CD1 4.45Å; F552-L621 HydrophobicContact CE1-CD1 4.15Å; F552-W690 VanDerWaalsContact C-CE3 3.41Å; F552-W690 CarbonylContact O-C 3.51Å; F552-W690 WeakPolarHBondContact O-CA 3.49Å; F552-A691 HydrophobicContact CE1-CB 4.13Å; F552-A691 HydrophobicContact CE2-CB 4.27Å; F552-A691 HydrophobicContact CZ-CB 3.95Å; F552-A691 PolarHBondContact N-O 3.35Å; F552-A691 PolarHBondContact O-N 3.22Å; F552-V693 HydrophobicContact CD1-CG2 4.46Å; F552-V693 HydrophobicContact CE1-CB 4.42Å; F552-V693 HydrophobicContact CE1-CG2 3.53Å; F552-V693 HydrophobicContact CZ-CG2 4.23Å
553	P	97.5	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.4	176	27	-29	0	0	0	111	H526 Q528 F532 W690	H526-P553 HydrophobicContact CB-CB 3.93Å; H526-P553 VanDerWaalsContact CG-CB 3.47Å; H526-P553 VanDerWaalsContact ND1-CB 3.34Å; H526-P553 WeakPolarHBondContact ND1-CB 3.27Å; Q528-P553 HydrophobicContact CB-CB 4.32Å; Q528-P553 HydrophobicContact CB-CG 3.81Å; F532-P553 HydrophobicContact CD2-CG 3.57Å; F532-P553 VanDerWaalsContact CE2-CD 3.47Å; F532-P553 HydrophobicContact CE2-CG 3.49Å; F532-P553 VanDerWaalsContact CE2-CG 3.49Å; F532-P553 HydrophobicContact CG-CG 4.45Å; F532-P553 HydrophobicContact CZ-CG 4.31Å; P553-W690 HydrophobicContact CB-CD2 4.11Å; P553-W690 HydrophobicContact CB-CG 4.45Å; P553-W690 HydrophobicContact CB-CZ2 4.01Å; P553-W690 HydrophobicContact CG-CH2 4.16Å; P553-W690 HydrophobicContact CG-CZ2 4.03Å
554	L	98.3	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.			trans	-123	-58.2	-178.3	-179.8	59.1	0	0	0	112.6	H526 Y529 F552 W606 V614 I660 G689 A691	H526-L554 PolarHBondContact N-O 3.44Å; Y529-L554 HydrophobicContact CD2-CD1 4.18Å; Y529-L554 HydrophobicContact CE2-CD1 4.18Å; F552-L554 HydrophobicContact CD2-CB 4.46Å; F552-L554 HydrophobicContact CE2-CB 3.95Å; F552-L554 HydrophobicContact CE2-CD1 4.09Å; F552-L554 HydrophobicContact CE2-CG 4.41Å; L554-W606 HydrophobicContact CD2-CH2 4.31Å; L554-V614 HydrophobicContact CD1-CG2 4.25Å; L554-V614 HydrophobicContact CD2-CG2 4Å; L554-I660 HydrophobicContact CD2-CD1 3.82Å; L554-I660 HydrophobicContact CD2-CG1 4.44Å; L554-G689 PolarHBondContact N-O 3.12Å; L554-A691 HydrophobicContact CB-CB 3.95Å; L554-A691 HydrophobicContact CD2-CB 3.96Å
555	V	98.5	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-115	154	-176.1	-64.1	0	0	0	0	111.7	Y524 H526 F559 I660 G689	Y524-V555 CarbonylContact O-C 3.53Å; Y524-V555 WeakPolarHBondContact O-CA 3.43Å; H526-V555 WeakPolarHBondContact CB-O 3.3Å; H526-V555 PolarHBondContact CD2-O 3.21Å; V555-F559 HydrophobicContact CB-CB 3.95Å; V555-F559 HydrophobicContact CB-CD1 3.45Å; V555-F559 VanDerWaalsContact CB-CD1 3.45Å; V555-F559 HydrophobicContact CB-CE1 4.1Å; V555-F559 HydrophobicContact CB-CG 3.73Å; V555-F559 HydrophobicContact CG1-CD1 3.75Å; V555-F559 HydrophobicContact CG1-CD2 4.47Å; V555-F559 HydrophobicContact CG1-CE1 3.92Å; V555-F559 HydrophobicContact CG1-CG 4.04Å; V555-F559 HydrophobicContact CG1-CZ 4.35Å; V555-F559 HydrophobicContact CG2-CD1 3.44Å; V555-F559 VanDerWaalsContact CG2-CD1 3.44Å; V555-F559 HydrophobicContact CG2-CE1 3.98Å; V555-F559 HydrophobicContact CG2-CG 4.21Å; V555-I660 HydrophobicContact CG2-CG2 3.84Å; V555-G689 PolarHBondContact N-O 3.32Å; V555-G689 VanDerWaalsContact N-O 3.09Å; V555-G689 WeakPolarHBondContact O-CA 3.16Å
556	S	98.3	Very high	97.7	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.063	15%	0.151	C	C	.	.			trans	-74.4	164.1	-178.7	74.3	0	0	0	0	112.2	Q523 Y524 T558 F559 C560	Q523-S556 WeakPolarHBondContact O-CB 3.35Å; Q523-S556 PolarHBondContact O-OG 3.14Å; Y524-S556 WeakPolarHBondContact CA-OG 3.32Å; Y524-S556 PolarHBondContact O-N 3.16Å; S556-T558 PolarHBondContact O-N 3.29Å; S556-T558 PolarHBondContact OG-N 2.76Å; S556-F559 WeakPolarHBondContact O-CB 3.43Å; S556-F559 PolarHBondContact O-N 2.93Å; S556-F559 PolarHBondContact OG-N 2.75Å; S556-F559 VanDerWaalsContact OG-N 3.09Å; S556-C560 PolarHBondContact O-N 3.1Å; S556-C560 VanDerWaalsContact O-N 3.13Å; S556-C560 PolarHBondContact O-SG 3.23Å; S556-C560 VanDerWaalsContact O-SG 3.33Å
557	E	97.9	Very high	97.8	Very high	140 Å²	140	29.6 Å²	29.6	65%	0.654	15%	0.15	S	C	*	.	H	α-helix	trans	-61	-34.4	171.7	-65.1	-173.5	-179	0	0	111.8	C560 K561 V688	E557-C560 PolarHBondContact O-N 3.43Å; E557-K561 WeakPolarHBondContact O-CB 3.33Å; E557-K561 PolarHBondContact O-N 2.59Å; E557-V688 HydrophobicContact CB-CG1 4.46Å; E557-V688 HydrophobicContact CG-CB 4.39Å; E557-V688 HydrophobicContact CG-CG1 4.02Å
558	T	97.6	Very high	97.8	Very high	58 Å²	58	29.4 Å²	29.4	36%	0.356	14%	0.143	S	C	.	.	H	α-helix	trans	-62	-44.3	174.7	-54.1	0	0	0	0	111.5	Q523 Y524 S556 C560 K561 H562	Q523-T558 HydrophobicContact CG-CG2 4.22Å; Y524-T558 HydrophobicContact CE1-CG2 4.1Å; S556-T558 PolarHBondContact O-N 3.29Å; S556-T558 PolarHBondContact OG-N 2.76Å; T558-C560 VanDerWaalsContact C-N 3.33Å; T558-C560 PolarHBondContact O-N 3.45Å; T558-K561 PolarHBondContact O-N 2.78Å; T558-H562 WeakPolarHBondContact O-CB 3.07Å; T558-H562 VanDerWaalsContact O-CG 3.3Å; T558-H562 PolarHBondContact O-N 3.24Å
559	F	98.5	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57	-50	174	176.2	-88.5	0	0	0	111	L510 W520 Y524 V555 S556 K561 H562 L563 W602 W606 F715	L510-F559 HydrophobicContact CD2-CD2 3.86Å; L510-F559 HydrophobicContact CD2-CE2 4.08Å; W520-F559 HydrophobicContact CH2-CD2 4.42Å; W520-F559 HydrophobicContact CH2-CE2 4.41Å; W520-F559 HydrophobicContact CZ2-CD2 4.15Å; W520-F559 HydrophobicContact CZ2-CE2 4.1Å; Y524-F559 HydrophobicContact CD1-CB 3.71Å; Y524-F559 HydrophobicContact CD1-CD2 4.06Å; Y524-F559 HydrophobicContact CD1-CG 4.4Å; Y524-F559 HydrophobicContact CG-CB 4.36Å; Y524-F559 HydrophobicContact CG-CD2 4.22Å; V555-F559 HydrophobicContact CB-CB 3.95Å; V555-F559 HydrophobicContact CB-CD1 3.45Å; V555-F559 VanDerWaalsContact CB-CD1 3.45Å; V555-F559 HydrophobicContact CB-CE1 4.1Å; V555-F559 HydrophobicContact CB-CG 3.73Å; V555-F559 HydrophobicContact CG1-CD1 3.75Å; V555-F559 HydrophobicContact CG1-CD2 4.47Å; V555-F559 HydrophobicContact CG1-CE1 3.92Å; V555-F559 HydrophobicContact CG1-CG 4.04Å; V555-F559 HydrophobicContact CG1-CZ 4.35Å; V555-F559 HydrophobicContact CG2-CD1 3.44Å; V555-F559 VanDerWaalsContact CG2-CD1 3.44Å; V555-F559 HydrophobicContact CG2-CE1 3.98Å; V555-F559 HydrophobicContact CG2-CG 4.21Å; S556-F559 WeakPolarHBondContact O-CB 3.43Å; S556-F559 PolarHBondContact O-N 2.93Å; S556-F559 PolarHBondContact OG-N 2.75Å; S556-F559 VanDerWaalsContact OG-N 3.09Å; F559-K561 VanDerWaalsContact C-N 3.34Å; F559-K561 PolarHBondContact O-N 3.43Å; F559-H562 PolarHBondContact O-N 2.99Å; F559-L563 HydrophobicContact CE1-CB 4.36Å; F559-L563 HydrophobicContact CE1-CD2 3.73Å; F559-L563 HydrophobicContact CZ-CD2 3.94Å; F559-L563 VanDerWaalsContact O-CB 3.32Å; F559-L563 WeakPolarHBondContact O-CB 3.27Å; F559-L563 PolarHBondContact O-N 3.18Å; F559-W602 AromaticContact CE2-CH2 3.31Å; F559-W602 HydrophobicContact CE2-CH2 3.31Å; F559-W602 AromaticContact CE2-CZ2 3.71Å; F559-W602 HydrophobicContact CE2-CZ2 3.71Å; F559-W602 HydrophobicContact CE2-CZ3 4.26Å; F559-W602 AromaticContact CZ-CH2 3.34Å; F559-W602 HydrophobicContact CZ-CH2 3.34Å; F559-W602 HydrophobicContact CZ-CZ2 4.19Å; F559-W602 AromaticContact CZ-CZ3 3.9Å; F559-W602 HydrophobicContact CZ-CZ3 3.9Å; F559-W606 HydrophobicContact CZ-CZ3 4.36Å; F559-F715 HydrophobicContact CE1-CD1 4.43Å; F559-F715 HydrophobicContact CZ-CE1 4.46Å
560	C	98.6	Very high	97.8	Very high	1 Å²	1	34 Å²	34	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-45.4	-178.2	-65.5	0	0	0	0	111.9	S556 E557 T558 I564 L662 V688 G689	S556-C560 PolarHBondContact O-N 3.1Å; S556-C560 VanDerWaalsContact O-N 3.13Å; S556-C560 PolarHBondContact O-SG 3.23Å; S556-C560 VanDerWaalsContact O-SG 3.33Å; E557-C560 PolarHBondContact O-N 3.43Å; T558-C560 VanDerWaalsContact C-N 3.33Å; T558-C560 PolarHBondContact O-N 3.45Å; C560-I564 VanDerWaalsContact O-CG1 3.28Å; C560-I564 WeakPolarHBondContact O-CG1 3.1Å; C560-I564 PolarHBondContact O-N 2.82Å; C560-I564 VanDerWaalsContact O-N 3.08Å; C560-L662 HydrophobicContact CB-CB 4.33Å; C560-L662 HydrophobicContact CB-CD2 4.15Å; C560-L662 VanDerWaalsContact CB-O 3.25Å; C560-L662 WeakPolarHBondContact CB-O 3.42Å; C560-V688 HydrophobicContact CB-CG1 3.87Å; C560-G689 VanDerWaalsContact SG-CA 3.57Å
561	K	98.2	Very high	97.7	Very high	117 Å²	117	35.8 Å²	35.8	51%	0.509	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-54.6	176.4	-178.2	-169.6	167.7	-165.5	0	111.3	E557 T558 F559 L563 I564 E565	E557-K561 WeakPolarHBondContact O-CB 3.33Å; E557-K561 PolarHBondContact O-N 2.59Å; T558-K561 PolarHBondContact O-N 2.78Å; F559-K561 VanDerWaalsContact C-N 3.34Å; F559-K561 PolarHBondContact O-N 3.43Å; K561-L563 VanDerWaalsContact C-N 3.3Å; K561-L563 PolarHBondContact O-N 3.07Å; K561-I564 PolarHBondContact O-N 3.16Å; K561-E565 VanDerWaalsContact CE-CD 3.47Å; K561-E565 WeakPolarHBondContact CE-OE1 3.38Å; K561-E565 VanDerWaalsContact CE-OE2 3.3Å; K561-E565 WeakPolarHBondContact CE-OE2 3.36Å; K561-E565 IonicContact NZ-OE1 3.81Å; K561-E565 WeakPolarHBondContact O-CG 3.35Å; K561-E565 PolarHBondContact O-N 2.93Å
562	H	98.2	Very high	97.5	Very high	29 Å²	29	40.4 Å²	40.4	13%	0.134	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-37.1	-176.7	-69.7	-171.7	0	0	0	111.8	H507 L510 Y524 T558 F559 E565 E566	H507-H562 HydrophobicContact CB-CB 3.88Å; H507-H562 PolarHBondContact CD2-O 2.93Å; H507-H562 AromaticContact CE1-CD2 3.46Å; H507-H562 PolarHBondContact CE1-CD2 2.91Å; H507-H562 VanDerWaalsContact CE1-CD2 3.46Å; H507-H562 AromaticContact CE1-CG 3.86Å; H507-H562 AromaticContact CE1-NE2 3.86Å; H507-H562 AromaticContact CG-CD2 3.93Å; H507-H562 AromaticContact CG-CG 3.52Å; H507-H562 AromaticContact CG-ND1 3.8Å; H507-H562 AromaticContact ND1-CD2 3.36Å; H507-H562 PolarHBondContact ND1-CD2 2.89Å; H507-H562 AromaticContact ND1-CE1 3.65Å; H507-H562 AromaticContact ND1-CG 3.38Å; H507-H562 AromaticContact ND1-ND1 3.55Å; H507-H562 AromaticContact ND1-NE2 3.56Å; L510-H562 HydrophobicContact CD1-CB 3.9Å; L510-H562 HydrophobicContact CD2-CB 4.18Å; L510-H562 HydrophobicContact CG-CB 4.12Å; Y524-H562 AromaticContact CE1-ND1 3.56Å; Y524-H562 AromaticContact CZ-ND1 3.8Å; Y524-H562 PolarHBondContact OH-ND1 2.96Å; Y524-H562 VanDerWaalsContact OH-ND1 3.1Å; T558-H562 WeakPolarHBondContact O-CB 3.07Å; T558-H562 VanDerWaalsContact O-CG 3.3Å; T558-H562 PolarHBondContact O-N 3.24Å; F559-H562 PolarHBondContact O-N 2.99Å; H562-E565 IonicContact CD2-OE2 2.66Å; H562-E565 PolarHBondContact O-N 2.86Å; H562-E566 WeakPolarHBondContact O-CB 3.29Å; H562-E566 PolarHBondContact O-N 3.37Å
563	L	98.5	Very high	97.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-42.8	176	-177.8	61.7	0	0	0	111.7	F559 K561 E566 V567 M597 I600 W602 V636 L662 F715	F559-L563 HydrophobicContact CE1-CB 4.36Å; F559-L563 HydrophobicContact CE1-CD2 3.73Å; F559-L563 HydrophobicContact CZ-CD2 3.94Å; F559-L563 VanDerWaalsContact O-CB 3.32Å; F559-L563 WeakPolarHBondContact O-CB 3.27Å; F559-L563 PolarHBondContact O-N 3.18Å; K561-L563 VanDerWaalsContact C-N 3.3Å; K561-L563 PolarHBondContact O-N 3.07Å; L563-E566 PolarHBondContact O-N 3Å; L563-V567 HydrophobicContact CD1-CG1 4.32Å; L563-V567 WeakPolarHBondContact O-CG2 3.21Å; L563-V567 PolarHBondContact O-N 3.02Å; L563-M597 HydrophobicContact CD1-CE 4.44Å; L563-M597 HydrophobicContact CD1-SD 3.98Å; L563-I600 HydrophobicContact CD1-CD1 4.4Å; L563-W602 HydrophobicContact CD1-CE3 4.43Å; L563-W602 HydrophobicContact CD1-CZ3 4.46Å; L563-V636 HydrophobicContact CD1-CG2 4.49Å; L563-V636 HydrophobicContact CD2-CG2 3.82Å; L563-V636 HydrophobicContact CG-CG2 4.07Å; L563-L662 HydrophobicContact CD2-CD1 4.18Å; L563-L662 HydrophobicContact CD2-CD2 4.29Å; L563-F715 HydrophobicContact CD2-CB 4.44Å; L563-F715 HydrophobicContact CD2-CD1 3.78Å; L563-F715 HydrophobicContact CD2-CE1 4.17Å; L563-F715 HydrophobicContact CD2-CG 4.13Å
564	I	98.5	Very high	97.1	Very high	26 Å²	26	42.2 Å²	42.2	13%	0.133	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-48	174.5	-70.7	166.5	0	0	0	110.3	C560 K561 E566 V567 E568 L662 N663 Y713	C560-I564 VanDerWaalsContact O-CG1 3.28Å; C560-I564 WeakPolarHBondContact O-CG1 3.1Å; C560-I564 PolarHBondContact O-N 2.82Å; C560-I564 VanDerWaalsContact O-N 3.08Å; K561-I564 PolarHBondContact O-N 3.16Å; I564-E566 VanDerWaalsContact C-N 3.34Å; I564-E566 PolarHBondContact O-N 2.81Å; I564-V567 VanDerWaalsContact O-CG2 3.3Å; I564-V567 WeakPolarHBondContact O-CG2 3.32Å; I564-V567 PolarHBondContact O-N 3.02Å; I564-E568 HydrophobicContact CG2-CG 4.39Å; I564-E568 WeakPolarHBondContact O-CB 3.14Å; I564-E568 WeakPolarHBondContact O-CG 3.35Å; I564-E568 PolarHBondContact O-N 3.14Å; I564-L662 HydrophobicContact CD1-CB 3.76Å; I564-L662 WeakPolarHBondContact CD1-O 3.36Å; I564-L662 HydrophobicContact CG1-CB 4.03Å; I564-L662 HydrophobicContact CG1-CD1 4.15Å; I564-N663 HydrophobicContact CD1-CB 3.97Å; I564-Y713 HydrophobicContact CD1-CD2 3.77Å; I564-Y713 HydrophobicContact CD1-CG 4.08Å; I564-Y713 HydrophobicContact CG1-CD1 4.48Å; I564-Y713 HydrophobicContact CG1-CD2 4.01Å; I564-Y713 HydrophobicContact CG1-CG 3.94Å; I564-Y713 HydrophobicContact CG2-CD2 4.07Å; I564-Y713 HydrophobicContact CG2-CE1 4.41Å; I564-Y713 HydrophobicContact CG2-CE2 3.86Å; I564-Y713 HydrophobicContact CG2-CG 4.46Å
565	E	98.2	Very high	96.5	Very high	63 Å²	63	46 Å²	46	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-40.4	-179.1	-72.4	173.8	156	0	0	111.4	L506 H507 K561 H562 N569	L506-E565 HydrophobicContact CD2-CB 3.82Å; H507-E565 IonicContact CE1-OE2 3.68Å; H507-E565 PolarHBondContact CE1-OE2 2.85Å; H507-E565 VanDerWaalsContact NE2-CB 3.28Å; H507-E565 WeakPolarHBondContact NE2-CB 3.48Å; H507-E565 IonicContact NE2-OE2 3.75Å; H507-E565 PolarHBondContact NE2-OE2 3.09Å; K561-E565 VanDerWaalsContact CE-CD 3.47Å; K561-E565 WeakPolarHBondContact CE-OE1 3.38Å; K561-E565 VanDerWaalsContact CE-OE2 3.3Å; K561-E565 WeakPolarHBondContact CE-OE2 3.36Å; K561-E565 IonicContact NZ-OE1 3.81Å; K561-E565 WeakPolarHBondContact O-CG 3.35Å; K561-E565 PolarHBondContact O-N 2.93Å; H562-E565 IonicContact CD2-OE2 2.66Å; H562-E565 PolarHBondContact O-N 2.86Å; E565-N569 WeakPolarHBondContact O-CB 3.5Å; E565-N569 PolarHBondContact O-N 3.45Å
566	E	98	Very high	95.6	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-49.1	173.3	-84.3	-62.1	161.6	0	0	113.6	K505 L506 H507 L510 W511 H562 L563 I564 N569 Y570	K505-E566 WeakPolarHBondContact CB-OE1 3.48Å; L506-E566 VanDerWaalsContact CA-OE1 3.31Å; L506-E566 WeakPolarHBondContact CA-OE1 3.27Å; L506-E566 WeakPolarHBondContact CB-OE1 3.2Å; L506-E566 PolarHBondContact N-OE1 2.94Å; H507-E566 PolarHBondContact N-OE1 2.82Å; L510-E566 HydrophobicContact CD1-CG 3.83Å; W511-E566 HydrophobicContact CH2-CG 4.18Å; W511-E566 HydrophobicContact CZ3-CG 4.15Å; H562-E566 WeakPolarHBondContact O-CB 3.29Å; H562-E566 PolarHBondContact O-N 3.37Å; L563-E566 PolarHBondContact O-N 3Å; I564-E566 VanDerWaalsContact C-N 3.34Å; I564-E566 PolarHBondContact O-N 2.81Å; E566-N569 PolarHBondContact O-N 3.3Å; E566-Y570 PolarHBondContact O-N 3.45Å
567	V	97.5	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.3	-34	-177	-62.2	0	0	0	0	111.8	L563 I564 Y570 G571 W573 I595 M597 I600 V636	L563-V567 HydrophobicContact CD1-CG1 4.32Å; L563-V567 WeakPolarHBondContact O-CG2 3.21Å; L563-V567 PolarHBondContact O-N 3.02Å; I564-V567 VanDerWaalsContact O-CG2 3.3Å; I564-V567 WeakPolarHBondContact O-CG2 3.32Å; I564-V567 PolarHBondContact O-N 3.02Å; V567-Y570 PolarHBondContact O-N 3.32Å; V567-G571 PolarHBondContact O-N 2.84Å; V567-W573 HydrophobicContact CB-CH2 4.21Å; V567-W573 HydrophobicContact CB-CZ2 4.18Å; V567-W573 HydrophobicContact CG2-CH2 3.65Å; V567-W573 HydrophobicContact CG2-CZ2 3.71Å; V567-I595 HydrophobicContact CB-CB 4.47Å; V567-I595 HydrophobicContact CB-CD1 3.88Å; V567-I595 HydrophobicContact CG1-CB 4.45Å; V567-I595 HydrophobicContact CG1-CG2 4.23Å; V567-I595 WeakPolarHBondContact O-CD1 3.38Å; V567-M597 HydrophobicContact CG1-CE 4.2Å; V567-I600 HydrophobicContact CG1-CD1 4.28Å; V567-V636 HydrophobicContact CG1-CB 4.33Å; V567-V636 HydrophobicContact CG1-CG2 4.22Å; V567-V636 HydrophobicContact CG2-CG1 4.13Å
568	E	97.6	Very high	94.2	Very high	61 Å²	61	46.9 Å²	46.9	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-70	-36	172.2	-73.7	-62.1	165.8	0	0	112.3	I564 Y570 G571 W573 R638 Y713	I564-E568 HydrophobicContact CG2-CG 4.39Å; I564-E568 WeakPolarHBondContact O-CB 3.14Å; I564-E568 WeakPolarHBondContact O-CG 3.35Å; I564-E568 PolarHBondContact O-N 3.14Å; E568-Y570 VanDerWaalsContact C-N 3.35Å; E568-G571 WeakPolarHBondContact O-CA 3.39Å; E568-G571 PolarHBondContact O-N 3.1Å; E568-W573 HydrophobicContact CG-CZ2 4.17Å; E568-W573 WeakPolarHBondContact OE1-CZ2 3.29Å; E568-W573 PolarHBondContact OE1-NE1 3.34Å; E568-W573 PolarHBondContact OE2-NE1 3.27Å; E568-W573 VanDerWaalsContact OE2-NE1 3.1Å; E568-R638 VanDerWaalsContact CD-NH1 3.34Å; E568-R638 WeakPolarHBondContact OE1-CD 3.25Å; E568-R638 IonicContact OE1-CZ 3.15Å; E568-R638 IonicContact OE1-NE 3.8Å; E568-R638 IonicContact OE1-NH1 2.84Å; E568-R638 PolarHBondContact OE1-NH1 2.99Å; E568-R638 IonicContact OE2-NH1 3.69Å; E568-R638 PolarHBondContact OE2-NH1 3.19Å; E568-Y713 HydrophobicContact CG-CE1 4.42Å; E568-Y713 WeakPolarHBondContact OE1-CE1 3.45Å; E568-Y713 PolarHBondContact OE1-OH 2.83Å
569	N	96.8	Very high	93.5	Very high	107 Å²	107	51.8 Å²	51.8	57%	0.572	26%	0.26	S	S	*	.	H	α-helix	trans	-65.2	-37.5	173	179.7	64.5	0	0	0	112.3	L506 E565 E566	L506-N569 HydrophobicContact CD2-CB 4.08Å; E565-N569 WeakPolarHBondContact O-CB 3.5Å; E565-N569 PolarHBondContact O-N 3.45Å; E566-N569 PolarHBondContact O-N 3.3Å
570	Y	96.2	Very high	92.5	Very high	69 Å²	69	52 Å²	52	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-42.4	171.7	177.6	-114.7	0	0	0	111.8	E566 V567 E568 Q572 I595 Q599 I600	E566-Y570 PolarHBondContact O-N 3.45Å; V567-Y570 PolarHBondContact O-N 3.32Å; E568-Y570 VanDerWaalsContact C-N 3.35Å; Y570-Q572 HydrophobicContact CD1-CB 4.14Å; Y570-Q572 HydrophobicContact CE1-CB 3.6Å; Y570-Q572 HydrophobicContact CE1-CG 4.25Å; Y570-Q572 HydrophobicContact CE2-CG 4.32Å; Y570-Q572 PolarHBondContact O-N 2.87Å; Y570-Q572 PolarHBondContact OH-OE1 2.89Å; Y570-I595 HydrophobicContact CD1-CD1 3.92Å; Y570-I595 HydrophobicContact CD1-CG1 4.2Å; Y570-I595 HydrophobicContact CD1-CG2 3.79Å; Y570-I595 HydrophobicContact CE1-CG2 4.07Å; Y570-Q599 HydrophobicContact CE1-CB 3.75Å; Y570-Q599 PolarHBondContact OH-NE2 3.35Å; Y570-I600 HydrophobicContact CD1-CG2 3.91Å; Y570-I600 HydrophobicContact CD2-CG2 4.3Å; Y570-I600 HydrophobicContact CG-CG2 3.74Å
571	G	94.9	Very high	91.6	Very high	39 Å²	39	56.3 Å²	56.3	40%	0.402	29%	0.289	S	S	.	.			trans	70.7	-9.9	165.2	0	0	0	0	0	117.1	V567 E568 W573	V567-G571 PolarHBondContact O-N 2.84Å; E568-G571 WeakPolarHBondContact O-CA 3.39Å; E568-G571 PolarHBondContact O-N 3.1Å; G571-W573 PolarHBondContact O-N 2.82Å
572	Q	93.5	Very high	90.5	Very high	121 Å²	121	53.8 Å²	53.8	57%	0.565	28%	0.277	S	S	*	.			trans	-83.5	58	-179.4	-55.9	-177.4	-1.3	0	0	112.4	Y570 R582	Y570-Q572 HydrophobicContact CD1-CB 4.14Å; Y570-Q572 HydrophobicContact CE1-CB 3.6Å; Y570-Q572 HydrophobicContact CE1-CG 4.25Å; Y570-Q572 HydrophobicContact CE2-CG 4.32Å; Y570-Q572 PolarHBondContact O-N 2.87Å; Y570-Q572 PolarHBondContact OH-OE1 2.89Å; Q572-R582 PolarHBondContact O-NH1 3.37Å
573	W	94	Very high	89.4	Confident	32 Å²	32	53.3 Å²	53.3	12%	0.121	28%	0.275	C	S	.	.			trans	-59.8	146.2	174.1	-64.6	95.7	0	0	0	111.6	V567 E568 G571 I595 V636 R638 Y713	V567-W573 HydrophobicContact CB-CH2 4.21Å; V567-W573 HydrophobicContact CB-CZ2 4.18Å; V567-W573 HydrophobicContact CG2-CH2 3.65Å; V567-W573 HydrophobicContact CG2-CZ2 3.71Å; E568-W573 HydrophobicContact CG-CZ2 4.17Å; E568-W573 WeakPolarHBondContact OE1-CZ2 3.29Å; E568-W573 PolarHBondContact OE1-NE1 3.34Å; E568-W573 PolarHBondContact OE2-NE1 3.27Å; E568-W573 VanDerWaalsContact OE2-NE1 3.1Å; G571-W573 PolarHBondContact O-N 2.82Å; W573-I595 HydrophobicContact CD2-CD1 3.5Å; W573-I595 VanDerWaalsContact CD2-CD1 3.5Å; W573-I595 HydrophobicContact CD2-CG1 3.91Å; W573-I595 HydrophobicContact CE3-CD1 3.82Å; W573-I595 HydrophobicContact CE3-CG1 3.81Å; W573-I595 HydrophobicContact CG-CD1 3.92Å; W573-I595 HydrophobicContact CG-CG1 4.33Å; W573-I595 HydrophobicContact CH2-CD1 4.13Å; W573-I595 HydrophobicContact CZ2-CD1 3.85Å; W573-I595 HydrophobicContact CZ3-CD1 4.12Å; W573-I595 HydrophobicContact CZ3-CG1 4.19Å; W573-V636 HydrophobicContact CH2-CG1 4.08Å; W573-V636 HydrophobicContact CZ3-CG1 4.43Å; W573-V636 WeakPolarHBondContact CZ3-O 3.47Å; W573-R638 HydrophobicContact CE3-CB 3.99Å; W573-R638 HydrophobicContact CH2-CB 3.82Å; W573-R638 HydrophobicContact CZ2-CB 4.38Å; W573-R638 HydrophobicContact CZ3-CB 3.59Å; W573-R638 VanDerWaalsContact NE1-NH1 3.13Å; W573-Y713 HydrophobicContact CH2-CD1 4.09Å; W573-Y713 AromaticContact CH2-CE1 3.88Å; W573-Y713 HydrophobicContact CH2-CE1 3.88Å; W573-Y713 AromaticContact CZ2-CE1 3.96Å; W573-Y713 HydrophobicContact CZ2-CE1 3.96Å
574	S	90.6	Very high	88	Confident	7 Å²	7	60.4 Å²	60.4	5%	0.049	31%	0.308	C	S	.	.			trans	-60.9	160.1	172.7	107.4	0	0	0	0	110.8	G576 T592 R593 D594	S574-G576 PolarHBondContact O-N 3.09Å; S574-G576 PolarHBondContact OG-N 3.29Å; S574-T592 WeakPolarHBondContact CB-O 3.49Å; S574-T592 PolarHBondContact OG-O 3.2Å; S574-R593 WeakPolarHBondContact OG-CA 3.5Å; S574-D594 PolarHBondContact N-O 3.43Å
575	T	85.4	Confident	86.8	Confident	79 Å²	79	63 Å²	63	49%	0.485	34%	0.341	S	S	.	.			trans	-73.4	-19.7	173.3	59.9	0	0	0	0	112.6	D577 R593	T575-D577 VanDerWaalsContact CB-OD2 3.23Å; T575-D577 WeakPolarHBondContact CB-OD2 3.35Å; T575-D577 WeakPolarHBondContact OG1-CB 3.28Å; T575-D577 PolarHBondContact OG1-N 3.24Å; T575-D577 PolarHBondContact OG1-OD2 3.46Å; T575-R593 PolarHBondContact O-NE 2.82Å; T575-R593 VanDerWaalsContact O-NE 3.07Å; T575-R593 PolarHBondContact O-NH2 3.41Å; T575-R593 VanDerWaalsContact O-NH2 3.08Å
576	G	81.2	Confident	85.8	Confident	15 Å²	15	60.7 Å²	60.7	16%	0.155	33%	0.334	C	S	.	.	S	Bend	trans	82.2	16.9	-169.7	0	0	0	0	0	113.3	S574 P591	S574-G576 PolarHBondContact O-N 3.09Å; S574-G576 PolarHBondContact OG-N 3.29Å; G576-P591 WeakPolarHBondContact O-CB 3.49Å; G576-P591 WeakPolarHBondContact O-CG 3.44Å
577	D	83	Confident	84.8	Confident	98 Å²	98	66.8 Å²	66.8	52%	0.524	36%	0.358	S	S	.	.	S	Bend	trans	-99.2	158.2	178.4	-60.4	-52.3	0	0	0	111.9	T575 Y579 P591	T575-D577 VanDerWaalsContact CB-OD2 3.23Å; T575-D577 WeakPolarHBondContact CB-OD2 3.35Å; T575-D577 WeakPolarHBondContact OG1-CB 3.28Å; T575-D577 PolarHBondContact OG1-N 3.24Å; T575-D577 PolarHBondContact OG1-OD2 3.46Å; D577-Y579 PolarHBondContact O-N 3.42Å; D577-Y579 VanDerWaalsContact O-N 3.08Å; D577-P591 WeakPolarHBondContact O-CB 3.48Å
578	N	83.9	Confident	83.9	Confident	54 Å²	54	68 Å²	68	29%	0.289	36%	0.363	S	S	.	.	S	Bend	trans	-63.2	-18.4	-179.3	-70	52.9	0	0	0	113.8	Y587 E588 P591	N578-Y587 HydrophobicContact CB-CD2 4.18Å; N578-Y587 HydrophobicContact CB-CE1 4.49Å; N578-Y587 HydrophobicContact CB-CE2 3.58Å; N578-Y587 PolarHBondContact ND2-OH 3.35Å; N578-Y587 CarbonylContact O-C 3.47Å; N578-Y587 WeakPolarHBondContact O-CA 3.29Å; N578-Y587 VanDerWaalsContact O-CD2 3.28Å; N578-Y587 WeakPolarHBondContact O-CD2 3.38Å; N578-E588 WeakPolarHBondContact CA-O 3.08Å; N578-E588 PolarHBondContact ND2-O 2.92Å; N578-E588 PolarHBondContact O-N 3.08Å; N578-P591 WeakPolarHBondContact OD1-CG 3.47Å
579	Y	82.7	Confident	83	Confident	162 Å²	162	70.7 Å²	70.7	64%	0.635	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-95.1	111.6	175.4	-179.4	-98.9	0	0	0	109.2	D577 P581 G586	D577-Y579 PolarHBondContact O-N 3.42Å; D577-Y579 VanDerWaalsContact O-N 3.08Å; Y579-P581 HydrophobicContact CE1-CB 4.19Å; Y579-P581 HydrophobicContact CE1-CG 4.19Å; Y579-G586 WeakPolarHBondContact CA-O 3.41Å; Y579-G586 WeakPolarHBondContact CD2-O 3.45Å
580	D	77.9	Confident	82.4	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.027	36%	0.36	C	S	.	.			trans	-128.6	99.8	177.7	-171	-9.6	0	0	0	110.4	R582 L583 G586	D580-R582 PolarHBondContact O-N 3.13Å; D580-R582 WeakPolarHBondContact OD1-CB 3.24Å; D580-R582 WeakPolarHBondContact OD1-CG 3.29Å; D580-R582 IonicContact OD1-CZ 3.06Å; D580-R582 PolarHBondContact OD1-N 3.33Å; D580-R582 IonicContact OD1-NE 2.78Å; D580-R582 PolarHBondContact OD1-NE 2.93Å; D580-R582 IonicContact OD1-NH2 2.74Å; D580-R582 IonicContact OD2-CZ 3.82Å; D580-R582 IonicContact OD2-NE 2.62Å; D580-R582 PolarHBondContact OD2-NE 2.89Å; D580-R582 VanDerWaalsContact OD2-NE 3.17Å; D580-R582 IonicContact OD2-NH2 2.76Å; D580-R582 PolarHBondContact OD2-NH2 3.37Å; D580-L583 HydrophobicContact CB-CD1 3.98Å; D580-L583 HydrophobicContact CB-CG 4.05Å; D580-L583 PolarHBondContact O-N 3.12Å; D580-L583 VanDerWaalsContact O-N 3.14Å; D580-G586 PolarHBondContact N-O 2.89Å; D580-G586 CarbonylContact O-C 3.41Å; D580-G586 VanDerWaalsContact O-CA 3.22Å; D580-G586 WeakPolarHBondContact O-CA 3.31Å
581	P	78.3	Confident	82	Confident	90 Å²	90	64.1 Å²	64.1	58%	0.584	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.2	-179.3	30	-35.4	0	0	0	113.2	Y579 L583	Y579-P581 HydrophobicContact CE1-CB 4.19Å; Y579-P581 HydrophobicContact CE1-CG 4.19Å; P581-L583 VanDerWaalsContact C-N 3.29Å
582	R	76.6	Confident	81.7	Confident	65 Å²	65	62.5 Å²	62.5	25%	0.245	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15	178.8	-50	169.6	-59.2	147.6	29.1	111.6	Q572 D580 D594	Q572-R582 PolarHBondContact O-NH1 3.37Å; D580-R582 PolarHBondContact O-N 3.13Å; D580-R582 WeakPolarHBondContact OD1-CB 3.24Å; D580-R582 WeakPolarHBondContact OD1-CG 3.29Å; D580-R582 IonicContact OD1-CZ 3.06Å; D580-R582 PolarHBondContact OD1-N 3.33Å; D580-R582 IonicContact OD1-NE 2.78Å; D580-R582 PolarHBondContact OD1-NE 2.93Å; D580-R582 IonicContact OD1-NH2 2.74Å; D580-R582 IonicContact OD2-CZ 3.82Å; D580-R582 IonicContact OD2-NE 2.62Å; D580-R582 PolarHBondContact OD2-NE 2.89Å; D580-R582 VanDerWaalsContact OD2-NE 3.17Å; D580-R582 IonicContact OD2-NH2 2.76Å; D580-R582 PolarHBondContact OD2-NH2 3.37Å; R582-D594 IonicContact CZ-OD1 3.87Å; R582-D594 PolarHBondContact NH1-O 3.13Å; R582-D594 IonicContact NH2-OD1 3.33Å; R582-D594 PolarHBondContact NH2-OD1 3.17Å
583	L	73.8	Confident	81.7	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.094	32%	0.317	C	S	.	.	S	Bend	trans	-96.1	148.2	178.7	-60.6	-180	0	0	0	112.4	D580 P581 G585 G586 E588 H596 M633	D580-L583 HydrophobicContact CB-CD1 3.98Å; D580-L583 HydrophobicContact CB-CG 4.05Å; D580-L583 PolarHBondContact O-N 3.12Å; D580-L583 VanDerWaalsContact O-N 3.14Å; P581-L583 VanDerWaalsContact C-N 3.29Å; L583-G585 PolarHBondContact O-N 3.26Å; L583-G585 VanDerWaalsContact O-N 3.08Å; L583-G586 PolarHBondContact O-N 2.03Å; L583-E588 HydrophobicContact CD1-CB 3.76Å; L583-E588 HydrophobicContact CD1-CG 4.1Å; L583-H596 WeakPolarHBondContact CD2-NE2 3.42Å; L583-M633 HydrophobicContact CD2-CE 4.19Å; L583-M633 HydrophobicContact CD2-SD 4.24Å
584	E	69.7	Low	81.7	Confident	151 Å²	151	58.2 Å²	58.2	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	111.9	167.4	-76.7	177.4	-168.9	0	0	109.6	R632	E584-R632 IonicContact OE2-NH1 3.61Å
585	G	73.8	Confident	82	Confident	80 Å²	80	57.9 Å²	57.9	83%	0.825	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-9	-177.1	0	0	0	0	0	114.9	L583 Y587	L583-G585 PolarHBondContact O-N 3.26Å; L583-G585 VanDerWaalsContact O-N 3.08Å; G585-Y587 PolarHBondContact O-N 2.76Å
586	G	76.9	Confident	82.4	Confident	14 Å²	14	54.3 Å²	54.3	14%	0.144	29%	0.287	C	S	.	.	S	Bend	trans	71.6	4.8	170.5	0	0	0	0	0	115.9	Y579 D580 L583	Y579-G586 WeakPolarHBondContact CA-O 3.41Å; Y579-G586 WeakPolarHBondContact CD2-O 3.45Å; D580-G586 PolarHBondContact N-O 2.89Å; D580-G586 CarbonylContact O-C 3.41Å; D580-G586 VanDerWaalsContact O-CA 3.22Å; D580-G586 WeakPolarHBondContact O-CA 3.31Å; L583-G586 PolarHBondContact O-N 2.03Å
587	Y	77.5	Confident	83.1	Confident	136 Å²	136	53.6 Å²	53.6	53%	0.533	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-138	128.2	-173.1	-167.9	-90.9	0	0	0	112.4	N578 G585 N589	N578-Y587 HydrophobicContact CB-CD2 4.18Å; N578-Y587 HydrophobicContact CB-CE1 4.49Å; N578-Y587 HydrophobicContact CB-CE2 3.58Å; N578-Y587 PolarHBondContact ND2-OH 3.35Å; N578-Y587 CarbonylContact O-C 3.47Å; N578-Y587 WeakPolarHBondContact O-CA 3.29Å; N578-Y587 VanDerWaalsContact O-CD2 3.28Å; N578-Y587 WeakPolarHBondContact O-CD2 3.38Å; G585-Y587 PolarHBondContact O-N 2.76Å; Y587-N589 WeakPolarHBondContact CE1-OD1 3.42Å
588	E	78.2	Confident	83.7	Confident	26 Å²	26	53.1 Å²	53.1	12%	0.121	27%	0.271	C	S	.	.			trans	-111.4	123.6	174.9	-165.7	168	-154.4	0	0	110.4	N578 L583 V590 P591	N578-E588 WeakPolarHBondContact CA-O 3.08Å; N578-E588 PolarHBondContact ND2-O 2.92Å; N578-E588 PolarHBondContact O-N 3.08Å; L583-E588 HydrophobicContact CD1-CB 3.76Å; L583-E588 HydrophobicContact CD1-CG 4.1Å; E588-V590 VanDerWaalsContact C-N 3.26Å; E588-V590 PolarHBondContact O-N 3.29Å; E588-P591 HydrophobicContact CB-CB 4.33Å; E588-P591 VanDerWaalsContact OE2-CA 3.25Å; E588-P591 WeakPolarHBondContact OE2-CA 3.42Å
589	N	78.3	Confident	84.2	Confident	116 Å²	116	52.5 Å²	52.5	62%	0.62	27%	0.266	S	S	*	.	S	Bend	trans	-64.6	-33.1	-177.5	-73.2	-26.9	0	0	0	112.4	Y587 R648	Y587-N589 WeakPolarHBondContact CE1-OD1 3.42Å; N589-R648 PolarHBondContact O-NH2 2.6Å
590	V	83.6	Confident	84.8	Confident	27 Å²	27	45.2 Å²	45.2	16%	0.164	24%	0.238	C	C	.	.	S	Bend	trans	-139.1	81	-175.6	-172.8	0	0	0	0	107.1	E588 L647 R648 H650	E588-V590 VanDerWaalsContact C-N 3.26Å; E588-V590 PolarHBondContact O-N 3.29Å; V590-L647 HydrophobicContact CG1-CD1 3.65Å; V590-L647 HydrophobicContact CG1-CG 4.06Å; V590-R648 HydrophobicContact CG1-CG 3.97Å; V590-H650 HydrophobicContact CB-CB 4.4Å; V590-H650 HydrophobicContact CG1-CB 4.1Å; V590-H650 HydrophobicContact CG2-CB 3.77Å
591	P	87.3	Confident	85.6	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.078	26%	0.259	C	S	.	.			trans	-70.7	145.2	-167.2	31	-39.2	0	0	0	112.9	G576 D577 N578 E588 Q644	G576-P591 WeakPolarHBondContact O-CB 3.49Å; G576-P591 WeakPolarHBondContact O-CG 3.44Å; D577-P591 WeakPolarHBondContact O-CB 3.48Å; N578-P591 WeakPolarHBondContact OD1-CG 3.47Å; E588-P591 HydrophobicContact CB-CB 4.33Å; E588-P591 VanDerWaalsContact OE2-CA 3.25Å; E588-P591 WeakPolarHBondContact OE2-CA 3.42Å; P591-Q644 PolarHBondContact O-NE2 3.14Å
592	T	89.5	Confident	86.4	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.025	23%	0.231	C	C	.	.			trans	-123.8	150.6	171.3	37.8	0	0	0	0	111.7	S574 D594 V637 Q644 L647	S574-T592 WeakPolarHBondContact CB-O 3.49Å; S574-T592 PolarHBondContact OG-O 3.2Å; T592-D594 WeakPolarHBondContact CB-OD2 3.34Å; T592-D594 VanDerWaalsContact O-CG 3.23Å; T592-D594 PolarHBondContact O-N 3.35Å; T592-D594 VanDerWaalsContact O-N 3.11Å; T592-D594 PolarHBondContact OG1-OD2 3.19Å; T592-V637 HydrophobicContact CG2-CG1 3.91Å; T592-V637 HydrophobicContact CG2-CG2 4.25Å; T592-Q644 VanDerWaalsContact CA-OE1 3.31Å; T592-L647 HydrophobicContact CG2-CD1 3.57Å; T592-L647 HydrophobicContact CG2-CD2 3.71Å; T592-L647 HydrophobicContact CG2-CG 4.25Å
593	R	93	Very high	87.4	Confident	64 Å²	64	41.9 Å²	41.9	24%	0.242	23%	0.229	C	C	.	.	S	Bend	trans	-72.4	98	165.4	-76.6	-164.9	167.5	-132	-11.2	110	S574 T575 V637 R638 E643 Q644	S574-R593 WeakPolarHBondContact OG-CA 3.5Å; T575-R593 PolarHBondContact O-NE 2.82Å; T575-R593 VanDerWaalsContact O-NE 3.07Å; T575-R593 PolarHBondContact O-NH2 3.41Å; T575-R593 VanDerWaalsContact O-NH2 3.08Å; R593-V637 WeakPolarHBondContact O-CA 3.19Å; R593-R638 PolarHBondContact O-N 2.89Å; R593-E643 VanDerWaalsContact CD-OE2 3.24Å; R593-E643 WeakPolarHBondContact CD-OE2 3.49Å; R593-E643 IonicContact CZ-OE2 3.56Å; R593-E643 IonicContact NE-OE2 2.88Å; R593-E643 VanDerWaalsContact NH1-CD 3.35Å; R593-E643 IonicContact NH1-OE2 3.65Å; R593-E643 PolarHBondContact NH1-OE2 3.48Å; R593-Q644 HydrophobicContact CG-CB 4.11Å
594	D	94.9	Very high	88.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.2	-169.1	56.7	38.7	0	0	0	114.5	S574 R582 T592 H596 F635 V636 V637	S574-D594 PolarHBondContact N-O 3.43Å; R582-D594 IonicContact CZ-OD1 3.87Å; R582-D594 PolarHBondContact NH1-O 3.13Å; R582-D594 IonicContact NH2-OD1 3.33Å; R582-D594 PolarHBondContact NH2-OD1 3.17Å; T592-D594 WeakPolarHBondContact CB-OD2 3.34Å; T592-D594 VanDerWaalsContact O-CG 3.23Å; T592-D594 PolarHBondContact O-N 3.35Å; T592-D594 VanDerWaalsContact O-N 3.11Å; T592-D594 PolarHBondContact OG1-OD2 3.19Å; D594-H596 IonicContact OD1-CD2 2.76Å; D594-H596 IonicContact OD1-NE2 3.7Å; D594-F635 HydrophobicContact CB-CB 4.32Å; D594-F635 HydrophobicContact CB-CD2 3.96Å; D594-V636 CarbonylContact C-O 3.57Å; D594-V636 WeakPolarHBondContact CA-O 3.35Å; D594-V636 WeakPolarHBondContact CB-O 3.3Å; D594-V637 HydrophobicContact CB-CG2 4.22Å
595	I	95.8	Very high	89.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124	169.2	-69.2	165	0	0	0	107.8	V567 Y570 W573 M597 Q599 I600 F635 V636	V567-I595 HydrophobicContact CB-CB 4.47Å; V567-I595 HydrophobicContact CB-CD1 3.88Å; V567-I595 HydrophobicContact CG1-CB 4.45Å; V567-I595 HydrophobicContact CG1-CG2 4.23Å; V567-I595 WeakPolarHBondContact O-CD1 3.38Å; Y570-I595 HydrophobicContact CD1-CD1 3.92Å; Y570-I595 HydrophobicContact CD1-CG1 4.2Å; Y570-I595 HydrophobicContact CD1-CG2 3.79Å; Y570-I595 HydrophobicContact CE1-CG2 4.07Å; W573-I595 HydrophobicContact CD2-CD1 3.5Å; W573-I595 VanDerWaalsContact CD2-CD1 3.5Å; W573-I595 HydrophobicContact CD2-CG1 3.91Å; W573-I595 HydrophobicContact CE3-CD1 3.82Å; W573-I595 HydrophobicContact CE3-CG1 3.81Å; W573-I595 HydrophobicContact CG-CD1 3.92Å; W573-I595 HydrophobicContact CG-CG1 4.33Å; W573-I595 HydrophobicContact CH2-CD1 4.13Å; W573-I595 HydrophobicContact CZ2-CD1 3.85Å; W573-I595 HydrophobicContact CZ3-CD1 4.12Å; W573-I595 HydrophobicContact CZ3-CG1 4.19Å; I595-M597 WeakPolarHBondContact O-CE 3.4Å; I595-Q599 HydrophobicContact CG2-CB 4.34Å; I595-I600 HydrophobicContact CG2-CG2 4.1Å; I595-F635 CarbonylContact O-C 3.53Å; I595-F635 VanDerWaalsContact O-CA 3.28Å; I595-F635 WeakPolarHBondContact O-CA 3.42Å; I595-V636 PolarHBondContact N-O 3.44Å; I595-V636 PolarHBondContact O-N 3Å
596	H	95.1	Very high	90.8	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	145.1	175.2	-71.1	-111.2	0	0	0	111.6	L583 D594 R598 Q599 N634 F635	L583-H596 WeakPolarHBondContact CD2-NE2 3.42Å; D594-H596 IonicContact OD1-CD2 2.76Å; D594-H596 IonicContact OD1-NE2 3.7Å; H596-R598 HydrophobicContact CB-CG 3.87Å; H596-R598 PolarHBondContact O-N 2.84Å; H596-R598 VanDerWaalsContact O-N 3.13Å; H596-Q599 HydrophobicContact CB-CG 4.25Å; H596-Q599 VanDerWaalsContact O-CB 3.29Å; H596-Q599 WeakPolarHBondContact O-CB 3.43Å; H596-Q599 PolarHBondContact O-N 3.45Å; H596-N634 CarbonylContact C-O 3.53Å; H596-N634 VanDerWaalsContact CA-O 3.31Å; H596-N634 WeakPolarHBondContact CA-O 3.45Å; H596-F635 HydrophobicContact CB-CB 4.47Å; H596-F635 AromaticContact CE1-CD1 3.89Å
597	M	96.3	Very high	91.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.3	-179.4	-60.4	-58.2	90.1	0	0	113	L563 V567 I595 Q599 I600 G601 W602 E603 N634 V636 F715	L563-M597 HydrophobicContact CD1-CE 4.44Å; L563-M597 HydrophobicContact CD1-SD 3.98Å; V567-M597 HydrophobicContact CG1-CE 4.2Å; I595-M597 WeakPolarHBondContact O-CE 3.4Å; M597-Q599 VanDerWaalsContact C-N 3.29Å; M597-Q599 PolarHBondContact O-N 2.93Å; M597-I600 HydrophobicContact CE-CD1 4.22Å; M597-I600 WeakPolarHBondContact O-CG1 3.21Å; M597-I600 PolarHBondContact O-N 2.83Å; M597-I600 HydrophobicContact SD-CD1 4.17Å; M597-G601 PolarHBondContact O-N 3.09Å; M597-W602 HydrophobicContact CB-CE3 4.48Å; M597-W602 HydrophobicContact CG-CE3 4.13Å; M597-W602 PolarHBondContact O-N 3.31Å; M597-W602 HydrophobicContact SD-CE3 3.57Å; M597-W602 VanDerWaalsContact SD-CE3 3.57Å; M597-W602 HydrophobicContact SD-CZ3 4.03Å; M597-E603 HydrophobicContact CB-CB 4.43Å; M597-E603 PolarHBondContact O-N 3.45Å; M597-N634 HydrophobicContact CB-CB 4.17Å; M597-N634 HydrophobicContact CG-CB 3.83Å; M597-N634 WeakPolarHBondContact CG-O 3.48Å; M597-N634 PolarHBondContact N-O 2.91Å; M597-V636 HydrophobicContact CE-CB 4.35Å; M597-V636 HydrophobicContact CE-CG2 3.67Å; M597-F715 HydrophobicContact CE-CE2 4.37Å; M597-F715 HydrophobicContact CG-CE2 3.63Å; M597-F715 HydrophobicContact CG-CZ 3.62Å; M597-F715 HydrophobicContact SD-CE2 3.84Å; M597-F715 HydrophobicContact SD-CZ 3.79Å
598	R	94.4	Very high	92.7	Very high	89 Å²	89	36.4 Å²	36.4	34%	0.336	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.8	171.6	64.8	-177.3	55.1	-167.3	-10.2	113.4	H596 I600 G601 E603 R632	H596-R598 HydrophobicContact CB-CG 3.87Å; H596-R598 PolarHBondContact O-N 2.84Å; H596-R598 VanDerWaalsContact O-N 3.13Å; R598-I600 VanDerWaalsContact C-N 3.3Å; R598-I600 PolarHBondContact O-N 2.88Å; R598-G601 PolarHBondContact O-N 3.01Å; R598-E603 HydrophobicContact CB-CB 4.27Å; R598-E603 IonicContact CZ-OE1 3.47Å; R598-E603 IonicContact CZ-OE2 3.94Å; R598-E603 IonicContact NE-OE1 3.91Å; R598-E603 IonicContact NE-OE2 3.39Å; R598-E603 PolarHBondContact NE-OE2 3.31Å; R598-E603 VanDerWaalsContact NE-OE2 3.11Å; R598-E603 IonicContact NH2-OE1 2.71Å; R598-E603 PolarHBondContact NH2-OE1 3.3Å; R598-E603 IonicContact NH2-OE2 3.87Å; R598-E603 PolarHBondContact NH2-OE2 3.32Å; R598-R632 PolarHBondContact NH2-O 2.77Å
599	Q	93.9	Very high	93.6	Very high	41 Å²	41	35.1 Å²	35.1	19%	0.192	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-32	-178.2	-65.3	178.5	-104.5	0	0	112.1	Y570 I595 H596 M597	Y570-Q599 HydrophobicContact CE1-CB 3.75Å; Y570-Q599 PolarHBondContact OH-NE2 3.35Å; I595-Q599 HydrophobicContact CG2-CB 4.34Å; H596-Q599 HydrophobicContact CB-CG 4.25Å; H596-Q599 VanDerWaalsContact O-CB 3.29Å; H596-Q599 WeakPolarHBondContact O-CB 3.43Å; H596-Q599 PolarHBondContact O-N 3.45Å; M597-Q599 VanDerWaalsContact C-N 3.29Å; M597-Q599 PolarHBondContact O-N 2.93Å
600	I	95.2	Very high	94.5	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.046	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1	175.1	63.5	168.7	0	0	0	112.8	K505 W511 L563 V567 Y570 I595 M597 R598 W602	K505-I600 PolarHBondContact NZ-O 3.21Å; W511-I600 WeakPolarHBondContact CZ2-O 3.25Å; L563-I600 HydrophobicContact CD1-CD1 4.4Å; V567-I600 HydrophobicContact CG1-CD1 4.28Å; Y570-I600 HydrophobicContact CD1-CG2 3.91Å; Y570-I600 HydrophobicContact CD2-CG2 4.3Å; Y570-I600 HydrophobicContact CG-CG2 3.74Å; I595-I600 HydrophobicContact CG2-CG2 4.1Å; M597-I600 HydrophobicContact CE-CD1 4.22Å; M597-I600 WeakPolarHBondContact O-CG1 3.21Å; M597-I600 PolarHBondContact O-N 2.83Å; M597-I600 HydrophobicContact SD-CD1 4.17Å; R598-I600 VanDerWaalsContact C-N 3.3Å; R598-I600 PolarHBondContact O-N 2.88Å; I600-W602 HydrophobicContact CD1-CB 4.04Å; I600-W602 HydrophobicContact CG1-CB 3.92Å
601	G	94.9	Very high	95.1	Very high	45 Å²	45	32.6 Å²	32.6	46%	0.464	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	36.4	-180	0	0	0	0	0	114	W511 M597 R598	W511-G601 PolarHBondContact NE1-O 3.18Å; M597-G601 PolarHBondContact O-N 3.09Å; R598-G601 PolarHBondContact O-N 3.01Å
602	W	96.4	Very high	95.5	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.168	C	C	.	.			trans	-122.2	4.3	-174.9	-161.4	66.1	0	0	0	114	L510 W511 W520 F559 L563 M597 I600 E604 H605 W606 F715	L510-W602 PolarHBondContact O-NE1 2.76Å; W511-W602 AromaticContact CD1-CD1 3.99Å; W511-W602 AromaticContact CD2-CD1 3.73Å; W511-W602 AromaticContact CE2-CD1 3.5Å; W511-W602 VanDerWaalsContact CE2-CD1 3.5Å; W511-W602 HydrophobicContact CZ2-CB 3.87Å; W511-W602 AromaticContact CZ2-CD1 3.87Å; W511-W602 HydrophobicContact CZ2-CG 4.12Å; W511-W602 AromaticContact NE1-CD1 3.66Å; W520-W602 HydrophobicContact CZ2-CZ2 4.28Å; F559-W602 AromaticContact CE2-CH2 3.31Å; F559-W602 HydrophobicContact CE2-CH2 3.31Å; F559-W602 AromaticContact CE2-CZ2 3.71Å; F559-W602 HydrophobicContact CE2-CZ2 3.71Å; F559-W602 HydrophobicContact CE2-CZ3 4.26Å; F559-W602 AromaticContact CZ-CH2 3.34Å; F559-W602 HydrophobicContact CZ-CH2 3.34Å; F559-W602 HydrophobicContact CZ-CZ2 4.19Å; F559-W602 AromaticContact CZ-CZ3 3.9Å; F559-W602 HydrophobicContact CZ-CZ3 3.9Å; L563-W602 HydrophobicContact CD1-CE3 4.43Å; L563-W602 HydrophobicContact CD1-CZ3 4.46Å; M597-W602 HydrophobicContact CB-CE3 4.48Å; M597-W602 HydrophobicContact CG-CE3 4.13Å; M597-W602 PolarHBondContact O-N 3.31Å; M597-W602 HydrophobicContact SD-CE3 3.57Å; M597-W602 VanDerWaalsContact SD-CE3 3.57Å; M597-W602 HydrophobicContact SD-CZ3 4.03Å; I600-W602 HydrophobicContact CD1-CB 4.04Å; I600-W602 HydrophobicContact CG1-CB 3.92Å; W602-E604 PolarHBondContact O-N 3.36Å; W602-H605 AromaticContact CD1-CG 3.67Å; W602-H605 AromaticContact CD1-ND1 3.98Å; W602-H605 HydrophobicContact CD2-CB 4.25Å; W602-H605 HydrophobicContact CG-CB 4.11Å; W602-H605 HydrophobicContact CZ2-CB 4.37Å; W602-H605 AromaticContact NE1-CG 3.81Å; W602-H605 PolarHBondContact O-N 3.4Å; W602-W606 HydrophobicContact CE3-CB 4.13Å; W602-W606 HydrophobicContact CH2-CB 4.31Å; W602-W606 AromaticContact CH2-CE3 3.76Å; W602-W606 HydrophobicContact CH2-CE3 3.76Å; W602-W606 HydrophobicContact CZ3-CB 3.88Å; W602-W606 HydrophobicContact CZ3-CD2 4.31Å; W602-W606 AromaticContact CZ3-CE3 3.93Å; W602-W606 HydrophobicContact CZ3-CE3 3.93Å; W602-W606 HydrophobicContact CZ3-CG 4.33Å; W602-W606 PolarHBondContact O-N 3.04Å; W602-W606 VanDerWaalsContact O-N 3.12Å; W602-F715 HydrophobicContact CZ3-CE1 4Å; W602-F715 HydrophobicContact CZ3-CZ 4.17Å
603	E	96.1	Very high	95.9	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.201	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-47.5	-178.1	-173.3	169.5	70.2	0	0	113.2	M597 R598 H605 W606 L607	M597-E603 HydrophobicContact CB-CB 4.43Å; M597-E603 PolarHBondContact O-N 3.45Å; R598-E603 HydrophobicContact CB-CB 4.27Å; R598-E603 IonicContact CZ-OE1 3.47Å; R598-E603 IonicContact CZ-OE2 3.94Å; R598-E603 IonicContact NE-OE1 3.91Å; R598-E603 IonicContact NE-OE2 3.39Å; R598-E603 PolarHBondContact NE-OE2 3.31Å; R598-E603 VanDerWaalsContact NE-OE2 3.11Å; R598-E603 IonicContact NH2-OE1 2.71Å; R598-E603 PolarHBondContact NH2-OE1 3.3Å; R598-E603 IonicContact NH2-OE2 3.87Å; R598-E603 PolarHBondContact NH2-OE2 3.32Å; E603-H605 VanDerWaalsContact C-N 3.28Å; E603-H605 PolarHBondContact O-N 2.9Å; E603-W606 PolarHBondContact O-N 2.91Å; E603-L607 HydrophobicContact CG-CD1 4.33Å; E603-L607 WeakPolarHBondContact O-CG 3.24Å; E603-L607 PolarHBondContact O-N 3.02Å
604	E	95.6	Very high	96.1	Very high	153 Å²	153	31.6 Å²	31.6	72%	0.715	16%	0.156	S	C	*	.	H	α-helix	trans	-62.4	-34.5	180	-64.6	-174.8	162.4	0	0	113.2	W602 L607 H608	W602-E604 PolarHBondContact O-N 3.36Å; E604-L607 PolarHBondContact O-N 3.37Å; E604-H608 PolarHBondContact O-N 2.73Å
605	H	97.1	Very high	96.1	Very high	32 Å²	32	32.8 Å²	32.8	15%	0.148	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-42.6	178.5	-60.3	71.5	0	0	0	110.1	W511 T513 W602 E603 H608 V609	W511-H605 AromaticContact CD1-CE1 3.33Å; W511-H605 AromaticContact CD1-ND1 3.85Å; W511-H605 AromaticContact CD1-NE2 3.44Å; W511-H605 AromaticContact CG-NE2 3.93Å; W511-H605 PolarHBondContact O-CD2 2.77Å; W511-H605 VanDerWaalsContact O-CD2 3.27Å; W511-H605 PolarHBondContact O-NE2 3.45Å; T513-H605 HydrophobicContact CG2-CB 4.2Å; T513-H605 PolarHBondContact OG1-CD2 2.84Å; T513-H605 VanDerWaalsContact OG1-CD2 3.29Å; W602-H605 AromaticContact CD1-CG 3.67Å; W602-H605 AromaticContact CD1-ND1 3.98Å; W602-H605 HydrophobicContact CD2-CB 4.25Å; W602-H605 HydrophobicContact CG-CB 4.11Å; W602-H605 HydrophobicContact CZ2-CB 4.37Å; W602-H605 AromaticContact NE1-CG 3.81Å; W602-H605 PolarHBondContact O-N 3.4Å; E603-H605 VanDerWaalsContact C-N 3.28Å; E603-H605 PolarHBondContact O-N 2.9Å; H605-H608 WeakPolarHBondContact O-CB 3.43Å; H605-H608 PolarHBondContact O-N 3.1Å; H605-V609 WeakPolarHBondContact O-CG2 3.42Å; H605-V609 PolarHBondContact O-N 2.71Å; H605-V609 VanDerWaalsContact O-N 3.1Å
606	W	97.8	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-41.2	174.4	-178.2	-116.5	0	0	0	112.6	L554 F559 W602 E603 H608 V609 L610 N634 I660 F715 T717	L554-W606 HydrophobicContact CD2-CH2 4.31Å; F559-W606 HydrophobicContact CZ-CZ3 4.36Å; W602-W606 HydrophobicContact CE3-CB 4.13Å; W602-W606 HydrophobicContact CH2-CB 4.31Å; W602-W606 AromaticContact CH2-CE3 3.76Å; W602-W606 HydrophobicContact CH2-CE3 3.76Å; W602-W606 HydrophobicContact CZ3-CB 3.88Å; W602-W606 HydrophobicContact CZ3-CD2 4.31Å; W602-W606 AromaticContact CZ3-CE3 3.93Å; W602-W606 HydrophobicContact CZ3-CE3 3.93Å; W602-W606 HydrophobicContact CZ3-CG 4.33Å; W602-W606 PolarHBondContact O-N 3.04Å; W602-W606 VanDerWaalsContact O-N 3.12Å; E603-W606 PolarHBondContact O-N 2.91Å; W606-H608 VanDerWaalsContact C-N 3.25Å; W606-H608 PolarHBondContact O-N 3.35Å; W606-V609 HydrophobicContact CE3-CB 3.87Å; W606-V609 HydrophobicContact CE3-CG1 3.86Å; W606-V609 HydrophobicContact CE3-CG2 4.4Å; W606-V609 HydrophobicContact CH2-CG1 4.3Å; W606-V609 HydrophobicContact CZ3-CB 4.12Å; W606-V609 HydrophobicContact CZ3-CG1 3.56Å; W606-V609 CarbonylContact O-C 3.57Å; W606-V609 WeakPolarHBondContact O-CA 3.03Å; W606-V609 WeakPolarHBondContact O-CB 3.49Å; W606-V609 PolarHBondContact O-N 2.87Å; W606-L610 HydrophobicContact CZ2-CD2 3.77Å; W606-L610 WeakPolarHBondContact O-CG 3.31Å; W606-L610 PolarHBondContact O-N 3.44Å; W606-N634 PolarHBondContact NE1-OD1 3.49Å; W606-I660 HydrophobicContact CH2-CD1 3.61Å; W606-I660 HydrophobicContact CZ2-CD1 4.16Å; W606-F715 AromaticContact CD1-CZ 3.82Å; W606-F715 AromaticContact CD2-CE1 3.43Å; W606-F715 HydrophobicContact CD2-CE1 3.43Å; W606-F715 VanDerWaalsContact CD2-CE1 3.43Å; W606-F715 AromaticContact CD2-CZ 3.5Å; W606-F715 HydrophobicContact CD2-CZ 3.5Å; W606-F715 VanDerWaalsContact CD2-CZ 3.5Å; W606-F715 AromaticContact CE2-CE1 3.45Å; W606-F715 VanDerWaalsContact CE2-CE1 3.45Å; W606-F715 AromaticContact CE2-CZ 3.46Å; W606-F715 VanDerWaalsContact CE2-CZ 3.46Å; W606-F715 AromaticContact CE3-CE1 3.51Å; W606-F715 HydrophobicContact CE3-CE1 3.51Å; W606-F715 HydrophobicContact CE3-CZ 4.05Å; W606-F715 HydrophobicContact CG-CE1 4.14Å; W606-F715 AromaticContact CG-CZ 3.71Å; W606-F715 HydrophobicContact CG-CZ 3.71Å; W606-F715 HydrophobicContact CH2-CD1 4.05Å; W606-F715 AromaticContact CH2-CE1 3.63Å; W606-F715 HydrophobicContact CH2-CE1 3.63Å; W606-F715 HydrophobicContact CH2-CZ 4.47Å; W606-F715 HydrophobicContact CZ2-CD1 4.11Å; W606-F715 AromaticContact CZ2-CE1 3.56Å; W606-F715 HydrophobicContact CZ2-CE1 3.56Å; W606-F715 AromaticContact CZ2-CZ 3.98Å; W606-F715 HydrophobicContact CZ2-CZ 3.98Å; W606-F715 HydrophobicContact CZ3-CD1 4.27Å; W606-F715 AromaticContact CZ3-CE1 3.6Å; W606-F715 HydrophobicContact CZ3-CE1 3.6Å; W606-F715 HydrophobicContact CZ3-CZ 4.49Å; W606-F715 AromaticContact NE1-CZ 3.62Å; W606-T717 PolarHBondContact NE1-OG1 3.42Å
607	L	97.3	Very high	96.1	Very high	54 Å²	54	38.2 Å²	38.2	28%	0.283	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-38.2	174.8	-70.2	177.8	0	0	0	111.9	E603 E604 L610 E611 A631	E603-L607 HydrophobicContact CG-CD1 4.33Å; E603-L607 WeakPolarHBondContact O-CG 3.24Å; E603-L607 PolarHBondContact O-N 3.02Å; E604-L607 PolarHBondContact O-N 3.37Å; L607-L610 HydrophobicContact CD2-CD1 4.01Å; L607-L610 WeakPolarHBondContact O-CB 3.35Å; L607-L610 PolarHBondContact O-N 2.97Å; L607-E611 PolarHBondContact O-N 2.87Å; L607-A631 HydrophobicContact CD2-CB 4.41Å; L607-A631 WeakPolarHBondContact CD2-O 3.35Å
608	H	96.7	Very high	96	Very high	45 Å²	45	38.4 Å²	38.4	21%	0.208	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-41.4	172.1	-176.1	71.8	0	0	0	112.6	M514 E604 H605 W606 L610 E611 K612	M514-H608 HydrophobicContact CE-CB 3.37Å; M514-H608 WeakPolarHBondContact CE-ND1 3.01Å; M514-H608 HydrophobicContact SD-CB 4.25Å; M514-H608 VanDerWaalsContact SD-CG 3.6Å; M514-H608 PolarHBondContact SD-ND1 3.08Å; E604-H608 PolarHBondContact O-N 2.73Å; H605-H608 WeakPolarHBondContact O-CB 3.43Å; H605-H608 PolarHBondContact O-N 3.1Å; W606-H608 VanDerWaalsContact C-N 3.25Å; W606-H608 PolarHBondContact O-N 3.35Å; H608-L610 VanDerWaalsContact C-N 3.32Å; H608-L610 PolarHBondContact O-N 2.91Å; H608-E611 PolarHBondContact O-N 3.08Å; H608-K612 VanDerWaalsContact O-CB 3.29Å; H608-K612 WeakPolarHBondContact O-CB 3.48Å; H608-K612 PolarHBondContact O-N 3.42Å
609	V	97.3	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-40.2	175.1	174	0	0	0	0	111	T513 W520 H605 W606 Y613 V614	T513-V609 HydrophobicContact CG2-CG2 4.21Å; W520-V609 HydrophobicContact CH2-CG2 3.49Å; W520-V609 VanDerWaalsContact CH2-CG2 3.49Å; W520-V609 HydrophobicContact CZ2-CG2 4.14Å; W520-V609 HydrophobicContact CZ3-CG2 3.92Å; H605-V609 WeakPolarHBondContact O-CG2 3.42Å; H605-V609 PolarHBondContact O-N 2.71Å; H605-V609 VanDerWaalsContact O-N 3.1Å; W606-V609 HydrophobicContact CE3-CB 3.87Å; W606-V609 HydrophobicContact CE3-CG1 3.86Å; W606-V609 HydrophobicContact CE3-CG2 4.4Å; W606-V609 HydrophobicContact CH2-CG1 4.3Å; W606-V609 HydrophobicContact CZ3-CB 4.12Å; W606-V609 HydrophobicContact CZ3-CG1 3.56Å; W606-V609 CarbonylContact O-C 3.57Å; W606-V609 WeakPolarHBondContact O-CA 3.03Å; W606-V609 WeakPolarHBondContact O-CB 3.49Å; W606-V609 PolarHBondContact O-N 2.87Å; V609-Y613 HydrophobicContact CB-CD2 4.28Å; V609-Y613 HydrophobicContact CG1-CD2 3.83Å; V609-Y613 WeakPolarHBondContact O-CB 3.35Å; V609-Y613 WeakPolarHBondContact O-CD2 3.46Å; V609-Y613 PolarHBondContact O-N 3.46Å; V609-V614 PolarHBondContact O-N 2.89Å
610	L	97.3	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-60.1	-51.1	174.3	-64.3	-177.9	0	0	0	111.4	W606 L607 H608 K612 V614 H615 P629 A631 I658 T717	W606-L610 HydrophobicContact CZ2-CD2 3.77Å; W606-L610 WeakPolarHBondContact O-CG 3.31Å; W606-L610 PolarHBondContact O-N 3.44Å; L607-L610 HydrophobicContact CD2-CD1 4.01Å; L607-L610 WeakPolarHBondContact O-CB 3.35Å; L607-L610 PolarHBondContact O-N 2.97Å; H608-L610 VanDerWaalsContact C-N 3.32Å; H608-L610 PolarHBondContact O-N 2.91Å; L610-K612 PolarHBondContact O-N 2.89Å; L610-V614 HydrophobicContact CD2-CB 4.19Å; L610-V614 HydrophobicContact CD2-CG2 3.71Å; L610-V614 WeakPolarHBondContact O-CB 3.36Å; L610-V614 PolarHBondContact O-N 3.35Å; L610-V614 VanDerWaalsContact O-N 3.13Å; L610-H615 PolarHBondContact O-N 3.43Å; L610-P629 HydrophobicContact CB-CB 4.27Å; L610-P629 HydrophobicContact CB-CG 4.18Å; L610-P629 WeakPolarHBondContact O-CG 3.28Å; L610-A631 HydrophobicContact CD1-CB 3.99Å; L610-I658 HydrophobicContact CD2-CD1 3.76Å; L610-T717 HydrophobicContact CD1-CG2 3.91Å; L610-T717 HydrophobicContact CD2-CG2 4.31Å
611	E	95.8	Very high	95.9	Very high	89 Å²	89	37.9 Å²	37.9	42%	0.416	19%	0.186	S	C	.	.	I	π-helix	trans	-63.3	-43.3	-179	-174.2	172.5	-160.9	0	0	111.8	L607 H608 H615 K628	L607-E611 PolarHBondContact O-N 2.87Å; H608-E611 PolarHBondContact O-N 3.08Å; E611-H615 VanDerWaalsContact O-CB 3.22Å; E611-H615 WeakPolarHBondContact O-CB 3.4Å; E611-K628 IonicContact OE1-NZ 3.37Å; E611-K628 PolarHBondContact OE1-NZ 3.37Å
612	K	95.7	Very high	95.8	Very high	52 Å²	52	37.7 Å²	37.7	23%	0.226	17%	0.172	C	C	.	.	I	π-helix	trans	-77.8	-40.5	-173.6	-173.8	174.6	173.6	-163.1	0	113.5	E521 H608 L610 K616	E521-K612 WeakPolarHBondContact OE2-CE 3.38Å; E521-K612 IonicContact OE2-NZ 3.38Å; E521-K612 PolarHBondContact OE2-NZ 3.38Å; H608-K612 VanDerWaalsContact O-CB 3.29Å; H608-K612 WeakPolarHBondContact O-CB 3.48Å; H608-K612 PolarHBondContact O-N 3.42Å; L610-K612 PolarHBondContact O-N 2.89Å; K612-K616 WeakPolarHBondContact O-CE 3.39Å
613	Y	97.1	Very high	95.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.016	21%	0.208	C	C	.	.	I	π-helix	trans	-111.1	-50.4	-170.7	-56.1	-77.2	0	0	0	112.8	W520 E521 I525 Y529 V609 H615 K616	W520-Y613 HydrophobicContact CZ3-CE2 4.16Å; E521-Y613 WeakPolarHBondContact CB-OH 3.45Å; E521-Y613 HydrophobicContact CG-CE1 4.15Å; E521-Y613 WeakPolarHBondContact CG-OH 3.48Å; E521-Y613 WeakPolarHBondContact OE2-CE1 3.32Å; E521-Y613 VanDerWaalsContact OE2-CZ 3.29Å; E521-Y613 PolarHBondContact OE2-OH 3.4Å; I525-Y613 HydrophobicContact CD1-CD1 4.04Å; I525-Y613 HydrophobicContact CD1-CD2 3.75Å; I525-Y613 HydrophobicContact CD1-CE1 4.05Å; I525-Y613 HydrophobicContact CD1-CE2 3.74Å; I525-Y613 HydrophobicContact CD1-CG 3.9Å; I525-Y613 HydrophobicContact CG1-CD1 4.16Å; I525-Y613 HydrophobicContact CG1-CD2 4.41Å; I525-Y613 HydrophobicContact CG1-CE1 3.72Å; I525-Y613 HydrophobicContact CG1-CE2 3.97Å; I525-Y613 HydrophobicContact CG1-CG 4.49Å; Y529-Y613 HydrophobicContact CD1-CD1 4.33Å; Y529-Y613 AromaticContact CE1-CD1 3.63Å; Y529-Y613 HydrophobicContact CE1-CD1 3.63Å; Y529-Y613 HydrophobicContact CE1-CE1 4.44Å; Y529-Y613 AromaticContact CZ-CD1 3.84Å; Y529-Y613 VanDerWaalsContact OH-CA 3.25Å; Y529-Y613 WeakPolarHBondContact OH-CA 3.41Å; Y529-Y613 PolarHBondContact OH-O 3.36Å; V609-Y613 HydrophobicContact CB-CD2 4.28Å; V609-Y613 HydrophobicContact CG1-CD2 3.83Å; V609-Y613 WeakPolarHBondContact O-CB 3.35Å; V609-Y613 WeakPolarHBondContact O-CD2 3.46Å; V609-Y613 PolarHBondContact O-N 3.46Å; Y613-H615 PolarHBondContact O-N 2.92Å; Y613-K616 PolarHBondContact O-N 3.15Å
614	V	96.6	Very high	95.3	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	24%	0.235	C	C	.	.	I	π-helix	trans	-66.7	-41.7	-176.9	174.4	0	0	0	0	111.2	L554 V609 L610 K616 I617 Q618 Y656 I658	L554-V614 HydrophobicContact CD1-CG2 4.25Å; L554-V614 HydrophobicContact CD2-CG2 4Å; V609-V614 PolarHBondContact O-N 2.89Å; L610-V614 HydrophobicContact CD2-CB 4.19Å; L610-V614 HydrophobicContact CD2-CG2 3.71Å; L610-V614 WeakPolarHBondContact O-CB 3.36Å; L610-V614 PolarHBondContact O-N 3.35Å; L610-V614 VanDerWaalsContact O-N 3.13Å; V614-K616 PolarHBondContact O-N 3.16Å; V614-K616 VanDerWaalsContact O-N 3.17Å; V614-I617 PolarHBondContact O-N 3.24Å; V614-Q618 WeakPolarHBondContact O-CB 3.33Å; V614-Q618 PolarHBondContact O-N 3.01Å; V614-Y656 HydrophobicContact CG1-CE2 4.41Å; V614-Y656 WeakPolarHBondContact CG1-OH 3.5Å; V614-I658 HydrophobicContact CB-CD1 4.28Å; V614-I658 HydrophobicContact CG1-CD1 3.51Å; V614-I658 HydrophobicContact CG2-CD1 3.84Å
615	H	96.1	Very high	95.3	Very high	26 Å²	26	42 Å²	42	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-35.6	-178.4	-169	48.7	0	0	0	113.1	L610 E611 Y613 K619 D626 D627 P629	L610-H615 PolarHBondContact O-N 3.43Å; E611-H615 VanDerWaalsContact O-CB 3.22Å; E611-H615 WeakPolarHBondContact O-CB 3.4Å; Y613-H615 PolarHBondContact O-N 2.92Å; H615-K619 WeakPolarHBondContact CE1-CE 3.45Å; H615-K619 WeakPolarHBondContact NE2-CE 3.34Å; H615-K619 PolarHBondContact NE2-NZ 3.11Å; H615-K619 PolarHBondContact O-N 3.05Å; H615-D626 PolarHBondContact CE1-O 2.95Å; H615-D627 PolarHBondContact CE1-O 3.21Å; H615-D627 PolarHBondContact ND1-O 2.89Å; H615-P629 HydrophobicContact CB-CG 3.76Å; H615-P629 WeakPolarHBondContact ND1-CD 3.41Å
616	K	93.9	Very high	95	Very high	116 Å²	116	45.1 Å²	45.1	50%	0.504	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-40	177.7	-66.1	-177.4	-176.9	176.3	0	112	K612 Y613 V614	K612-K616 WeakPolarHBondContact O-CE 3.39Å; Y613-K616 PolarHBondContact O-N 3.15Å; V614-K616 PolarHBondContact O-N 3.16Å; V614-K616 VanDerWaalsContact O-N 3.17Å
617	I	95.7	Very high	94.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-77.3	-41.1	178.6	-56.5	-59.1	0	0	0	110.5	Y529 F532 A533 I542 F552 V614 K619 K620 L621	Y529-I617 HydrophobicContact CD2-CG1 4.5Å; Y529-I617 HydrophobicContact CE2-CD1 4.02Å; Y529-I617 HydrophobicContact CE2-CG1 3.66Å; F532-I617 HydrophobicContact CB-CD1 4.25Å; A533-I617 HydrophobicContact CB-CD1 4.36Å; I542-I617 HydrophobicContact CD1-CG2 4.27Å; F552-I617 HydrophobicContact CD1-CG2 3.87Å; F552-I617 HydrophobicContact CD2-CG1 4.31Å; F552-I617 HydrophobicContact CD2-CG2 4.18Å; F552-I617 HydrophobicContact CE1-CB 4.49Å; F552-I617 HydrophobicContact CE1-CG2 3.64Å; F552-I617 HydrophobicContact CE2-CB 4.23Å; F552-I617 HydrophobicContact CE2-CG1 3.96Å; F552-I617 HydrophobicContact CE2-CG2 4Å; F552-I617 HydrophobicContact CG-CG2 4.13Å; F552-I617 HydrophobicContact CZ-CB 4.11Å; F552-I617 HydrophobicContact CZ-CG1 4.35Å; F552-I617 HydrophobicContact CZ-CG2 3.73Å; V614-I617 PolarHBondContact O-N 3.24Å; I617-K619 VanDerWaalsContact C-N 3.29Å; I617-K619 PolarHBondContact O-N 3.22Å; I617-K620 WeakPolarHBondContact O-CA 3.42Å; I617-K620 WeakPolarHBondContact O-CB 3.28Å; I617-K620 PolarHBondContact O-N 3.25Å; I617-L621 HydrophobicContact CG2-CD1 3.9Å; I617-L621 HydrophobicContact CG2-CD2 4.41Å; I617-L621 HydrophobicContact CG2-CG 3.93Å; I617-L621 WeakPolarHBondContact O-CG 3.48Å; I617-L621 PolarHBondContact O-N 3.39Å
618	Q	94.9	Very high	94.6	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-48.1	-48.7	177	179.3	-162	-55.2	0	0	112.1	V614 K620 L621 F622 Y625 D627 Y656	V614-Q618 WeakPolarHBondContact O-CB 3.33Å; V614-Q618 PolarHBondContact O-N 3.01Å; Q618-K620 PolarHBondContact O-N 3.18Å; Q618-L621 PolarHBondContact O-N 2.82Å; Q618-L621 VanDerWaalsContact O-N 3.11Å; Q618-F622 HydrophobicContact CG-CD2 4.42Å; Q618-F622 PolarHBondContact O-N 3.05Å; Q618-Y625 HydrophobicContact CG-CD1 3.95Å; Q618-Y625 HydrophobicContact CG-CE1 4.44Å; Q618-Y625 PolarHBondContact NE2-O 3.28Å; Q618-D627 PolarHBondContact NE2-O 3.5Å; Q618-D627 PolarHBondContact OE1-O 3.02Å; Q618-Y656 HydrophobicContact CG-CE1 4.07Å; Q618-Y656 PolarHBondContact OE1-OH 2.91Å
619	K	93.7	Very high	94.5	Very high	91 Å²	91	51.8 Å²	51.8	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-25.9	179.5	-69.2	-174.5	179.5	-176.1	0	114.1	H615 I617 D626	H615-K619 WeakPolarHBondContact CE1-CE 3.45Å; H615-K619 WeakPolarHBondContact NE2-CE 3.34Å; H615-K619 PolarHBondContact NE2-NZ 3.11Å; H615-K619 PolarHBondContact O-N 3.05Å; I617-K619 VanDerWaalsContact C-N 3.29Å; I617-K619 PolarHBondContact O-N 3.22Å; K619-D626 WeakPolarHBondContact CD-OD1 3.21Å; K619-D626 VanDerWaalsContact CE-OD1 3.23Å; K619-D626 WeakPolarHBondContact CE-OD1 3.44Å; K619-D626 IonicContact NZ-OD1 3.95Å
620	K	94	Very high	94.4	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.135	28%	0.281	C	S	.	.	H	α-helix	trans	-79.6	-40	174.9	-60.3	175.4	177.5	-67.2	0	111	F532 K534 V537 M539 I617 Q618	F532-K620 WeakPolarHBondContact O-CE 3.31Å; K534-K620 WeakPolarHBondContact O-CE 3.48Å; K534-K620 PolarHBondContact O-NZ 3.31Å; V537-K620 PolarHBondContact O-NZ 3.16Å; M539-K620 WeakPolarHBondContact CB-O 3.34Å; I617-K620 WeakPolarHBondContact O-CA 3.42Å; I617-K620 WeakPolarHBondContact O-CB 3.28Å; I617-K620 PolarHBondContact O-N 3.25Å; Q618-K620 PolarHBondContact O-N 3.18Å
621	L	94.6	Very high	94.3	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-73.3	-43.3	-177.1	-61.4	-172.7	0	0	0	112.9	I542 F550 F552 I617 Q618 V693	I542-L621 HydrophobicContact CB-CD2 4.19Å; I542-L621 HydrophobicContact CD1-CD2 3.47Å; I542-L621 VanDerWaalsContact CD1-CD2 3.47Å; I542-L621 HydrophobicContact CD1-CG 4.48Å; I542-L621 HydrophobicContact CG1-CD2 4.36Å; I542-L621 HydrophobicContact CG2-CD2 4.04Å; F550-L621 HydrophobicContact CB-CD1 3.79Å; F550-L621 HydrophobicContact CB-CD2 3.79Å; F550-L621 HydrophobicContact CB-CG 4.37Å; F550-L621 HydrophobicContact CD1-CD2 3.63Å; F550-L621 HydrophobicContact CD2-CB 3.99Å; F550-L621 HydrophobicContact CD2-CD1 3.98Å; F550-L621 HydrophobicContact CD2-CD2 3.98Å; F550-L621 HydrophobicContact CD2-CG 4.19Å; F550-L621 HydrophobicContact CE1-CD2 4.14Å; F550-L621 HydrophobicContact CE2-CB 4.05Å; F550-L621 HydrophobicContact CE2-CD2 4.45Å; F550-L621 HydrophobicContact CG-CB 4.42Å; F550-L621 HydrophobicContact CG-CD1 4.01Å; F550-L621 HydrophobicContact CG-CD2 3.52Å; F550-L621 HydrophobicContact CG-CG 4.17Å; F552-L621 HydrophobicContact CD1-CD1 4.45Å; F552-L621 HydrophobicContact CE1-CD1 4.15Å; I617-L621 HydrophobicContact CG2-CD1 3.9Å; I617-L621 HydrophobicContact CG2-CD2 4.41Å; I617-L621 HydrophobicContact CG2-CG 3.93Å; I617-L621 WeakPolarHBondContact O-CG 3.48Å; I617-L621 PolarHBondContact O-N 3.39Å; Q618-L621 PolarHBondContact O-N 2.82Å; Q618-L621 VanDerWaalsContact O-N 3.11Å; L621-V693 HydrophobicContact CD1-CB 4.08Å; L621-V693 HydrophobicContact CD1-CG1 3.97Å
622	F	93	Very high	94	Very high	41 Å²	41	59.4 Å²	59.4	18%	0.18	29%	0.286	C	S	.	.	S	Bend	trans	-121.3	80.8	-174.4	-57.2	-62.7	0	0	0	109.1	F550 Q618 G624 Y625 Y656 V693 P695	F550-F622 HydrophobicContact CD2-CE1 4.41Å; F550-F622 HydrophobicContact CD2-CZ 4.29Å; F550-F622 HydrophobicContact CE2-CD1 4.45Å; F550-F622 AromaticContact CE2-CE1 3.87Å; F550-F622 HydrophobicContact CE2-CE1 3.87Å; F550-F622 HydrophobicContact CE2-CZ 4.2Å; Q618-F622 HydrophobicContact CG-CD2 4.42Å; Q618-F622 PolarHBondContact O-N 3.05Å; F622-G624 PolarHBondContact O-N 2.92Å; F622-Y625 HydrophobicContact CB-CG 4.44Å; F622-Y625 WeakPolarHBondContact O-CB 3.32Å; F622-Y625 PolarHBondContact O-N 3.39Å; F622-Y656 HydrophobicContact CE2-CD1 4.47Å; F622-Y656 HydrophobicContact CE2-CD2 4.44Å; F622-Y656 HydrophobicContact CE2-CG 4.1Å; F622-V693 HydrophobicContact CE2-CG1 3.81Å; F622-V693 HydrophobicContact CZ-CG1 4.09Å; F622-P695 HydrophobicContact CE1-CG 4.41Å
623	Q	89	Confident	93.8	Very high	160 Å²	160	60.1 Å²	60.1	75%	0.748	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	125.7	-179.9	-66.3	-176.4	-2.9	0	0	110.7
624	G	92.9	Very high	93.7	Very high	75 Å²	75	60 Å²	60	77%	0.773	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-3.3	-174.5	0	0	0	0	0	114.8	F622	F622-G624 PolarHBondContact O-N 2.92Å
625	Y	94	Very high	93.8	Very high	52 Å²	52	60.1 Å²	60.1	20%	0.204	29%	0.291	C	S	.	.			trans	-99.9	86.7	174.5	-167	-103.4	0	0	0	111.4	Q618 F622 D627 S655 Y656 N720	Q618-Y625 HydrophobicContact CG-CD1 3.95Å; Q618-Y625 HydrophobicContact CG-CE1 4.44Å; Q618-Y625 PolarHBondContact NE2-O 3.28Å; F622-Y625 HydrophobicContact CB-CG 4.44Å; F622-Y625 WeakPolarHBondContact O-CB 3.32Å; F622-Y625 PolarHBondContact O-N 3.39Å; Y625-D627 HydrophobicContact CE1-CB 4.3Å; Y625-D627 HydrophobicContact CE2-CB 4.44Å; Y625-S655 WeakPolarHBondContact OH-CB 3.33Å; Y625-S655 PolarHBondContact OH-OG 3.46Å; Y625-Y656 HydrophobicContact CE1-CD1 4.08Å; Y625-Y656 AromaticContact CE1-CE1 3.93Å; Y625-Y656 HydrophobicContact CE1-CE1 3.93Å; Y625-N720 VanDerWaalsContact OH-CB 3.29Å; Y625-N720 WeakPolarHBondContact OH-CB 3.34Å; Y625-N720 PolarHBondContact OH-ND2 3.29Å
626	D	91.2	Very high	93.8	Very high	98 Å²	98	58.9 Å²	58.9	52%	0.524	29%	0.285	S	S	.	.			trans	-98.6	2.9	-172.2	-78	-47.4	0	0	0	115.1	H615 K619 K628	H615-D626 PolarHBondContact CE1-O 2.95Å; K619-D626 WeakPolarHBondContact CD-OD1 3.21Å; K619-D626 VanDerWaalsContact CE-OD1 3.23Å; K619-D626 WeakPolarHBondContact CE-OD1 3.44Å; K619-D626 IonicContact NZ-OD1 3.95Å; D626-K628 PolarHBondContact O-N 2.93Å
627	D	93	Very high	94	Very high	98 Å²	98	53.4 Å²	53.4	52%	0.524	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-58.9	137.8	179.8	-68.9	-19.6	0	0	0	111.1	H615 Q618 Y625	H615-D627 PolarHBondContact CE1-O 3.21Å; H615-D627 PolarHBondContact ND1-O 2.89Å; Q618-D627 PolarHBondContact NE2-O 3.5Å; Q618-D627 PolarHBondContact OE1-O 3.02Å; Y625-D627 HydrophobicContact CE1-CB 4.3Å; Y625-D627 HydrophobicContact CE2-CB 4.44Å
628	K	94.2	Very high	94.1	Very high	134 Å²	134	54.2 Å²	54.2	58%	0.583	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-64.9	128.4	173.6	-71.8	-170.4	173.2	-157.4	0	109.2	E611 D626 W630 N720	E611-K628 IonicContact OE1-NZ 3.37Å; E611-K628 PolarHBondContact OE1-NZ 3.37Å; D626-K628 PolarHBondContact O-N 2.93Å; K628-W630 PolarHBondContact O-N 3.45Å; K628-N720 PolarHBondContact O-OD1 3.11Å
629	P	95.1	Very high	94.2	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.045	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.9	128.9	-179.9	28.8	-36	0	0	0	109.9	L610 H615 V719 N720	L610-P629 HydrophobicContact CB-CB 4.27Å; L610-P629 HydrophobicContact CB-CG 4.18Å; L610-P629 WeakPolarHBondContact O-CG 3.28Å; H615-P629 HydrophobicContact CB-CG 3.76Å; H615-P629 WeakPolarHBondContact ND1-CD 3.41Å; P629-V719 HydrophobicContact CB-CG1 3.55Å; P629-N720 WeakPolarHBondContact CA-OD1 3.32Å
630	W	94.5	Very high	94.3	Very high	114 Å²	114	51.7 Å²	51.7	43%	0.432	25%	0.253	S	S	.	.			trans	-139	156.3	169.2	74.8	-79.1	0	0	0	109	K628 R632 N720 P721	K628-W630 PolarHBondContact O-N 3.45Å; W630-R632 HydrophobicContact CE3-CG 4.43Å; W630-R632 HydrophobicContact CH2-CG 4.34Å; W630-R632 HydrophobicContact CZ3-CG 3.62Å; W630-N720 PolarHBondContact N-OD1 3.31Å; W630-N720 PolarHBondContact O-N 2.88Å; W630-N720 PolarHBondContact O-OD1 3.27Å; W630-P721 HydrophobicContact CH2-CG 3.63Å; W630-P721 HydrophobicContact CZ2-CG 3.68Å; W630-P721 HydrophobicContact CZ3-CG 4.27Å
631	A	94.8	Very high	94.4	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	27%	0.266	C	S	.	.			trans	-152.8	138.6	-176.4	0	0	0	0	0	112.3	L607 L610 N634 T717 F718	L607-A631 HydrophobicContact CD2-CB 4.41Å; L607-A631 WeakPolarHBondContact CD2-O 3.35Å; L610-A631 HydrophobicContact CD1-CB 3.99Å; A631-N634 WeakPolarHBondContact CB-OD1 3.25Å; A631-N634 PolarHBondContact O-ND2 3.06Å; A631-N634 VanDerWaalsContact O-ND2 3.1Å; A631-T717 HydrophobicContact CB-CG2 3.47Å; A631-T717 VanDerWaalsContact CB-CG2 3.47Å; A631-F718 VanDerWaalsContact CB-O 3.27Å; A631-F718 WeakPolarHBondContact CB-O 3.29Å
632	R	89.8	Confident	94.3	Very high	133 Å²	133	59.2 Å²	59.2	50%	0.502	30%	0.298	S	S	.	.	S	Bend	trans	-94.7	-28.8	169.4	-69.9	178.4	-179.1	-162.2	4.5	112.8	E584 R598 W630	E584-R632 IonicContact OE2-NH1 3.61Å; R598-R632 PolarHBondContact NH2-O 2.77Å; W630-R632 HydrophobicContact CE3-CG 4.43Å; W630-R632 HydrophobicContact CH2-CG 4.34Å; W630-R632 HydrophobicContact CZ3-CG 3.62Å
633	M	92	Very high	94.3	Very high	67 Å²	67	59.8 Å²	59.8	33%	0.33	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	97.9	-178.9	-57.3	-59.2	-168.1	0	0	108.9	L583 F635 T717 F718	L583-M633 HydrophobicContact CD2-CE 4.19Å; L583-M633 HydrophobicContact CD2-SD 4.24Å; M633-F635 HydrophobicContact CB-CD1 3.97Å; M633-F635 HydrophobicContact CB-CE1 3.75Å; M633-T717 WeakPolarHBondContact O-CA 3.44Å; M633-F718 HydrophobicContact CB-CB 4.1Å; M633-F718 HydrophobicContact CB-CD2 3.83Å; M633-F718 HydrophobicContact CB-CG 4.19Å; M633-F718 HydrophobicContact CG-CD2 4.14Å; M633-F718 PolarHBondContact O-N 3.46Å
634	N	95.6	Very high	94.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	107.1	176.6	-47.7	-78	0	0	0	106.6	H596 M597 W606 A631 F715 T717	H596-N634 CarbonylContact C-O 3.53Å; H596-N634 VanDerWaalsContact CA-O 3.31Å; H596-N634 WeakPolarHBondContact CA-O 3.45Å; M597-N634 HydrophobicContact CB-CB 4.17Å; M597-N634 HydrophobicContact CG-CB 3.83Å; M597-N634 WeakPolarHBondContact CG-O 3.48Å; M597-N634 PolarHBondContact N-O 2.91Å; W606-N634 PolarHBondContact NE1-OD1 3.49Å; A631-N634 WeakPolarHBondContact CB-OD1 3.25Å; A631-N634 PolarHBondContact O-ND2 3.06Å; A631-N634 VanDerWaalsContact O-ND2 3.1Å; N634-F715 HydrophobicContact CB-CE2 4.26Å; N634-T717 WeakPolarHBondContact OD1-CG2 3.41Å
635	F	96.8	Very high	94.6	Very high	7 Å²	7	52 Å²	52	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.9	-168.8	55.1	-82.7	0	0	0	112.5	D594 I595 H596 M633 V637 F715 V716 F718	D594-F635 HydrophobicContact CB-CB 4.32Å; D594-F635 HydrophobicContact CB-CD2 3.96Å; I595-F635 CarbonylContact O-C 3.53Å; I595-F635 VanDerWaalsContact O-CA 3.28Å; I595-F635 WeakPolarHBondContact O-CA 3.42Å; H596-F635 HydrophobicContact CB-CB 4.47Å; H596-F635 AromaticContact CE1-CD1 3.89Å; M633-F635 HydrophobicContact CB-CD1 3.97Å; M633-F635 HydrophobicContact CB-CE1 3.75Å; F635-V637 HydrophobicContact CD2-CG2 3.57Å; F635-V637 HydrophobicContact CE2-CG2 3.6Å; F635-F715 WeakPolarHBondContact O-CD2 3.49Å; F635-V716 HydrophobicContact CD2-CB 4.35Å; F635-V716 HydrophobicContact CE1-CB 4.32Å; F635-V716 HydrophobicContact CE1-CG1 4.23Å; F635-V716 HydrophobicContact CE2-CB 3.88Å; F635-V716 HydrophobicContact CE2-CG1 4.22Å; F635-V716 HydrophobicContact CE2-CG2 4.42Å; F635-V716 HydrophobicContact CZ-CB 3.85Å; F635-V716 HydrophobicContact CZ-CG1 3.74Å; F635-V716 PolarHBondContact N-O 3.34Å; F635-V716 PolarHBondContact O-N 2.82Å; F635-F718 HydrophobicContact CE1-CD2 4.45Å; F635-F718 HydrophobicContact CE1-CE1 4.47Å; F635-F718 HydrophobicContact CE1-CE2 4.26Å; F635-F718 HydrophobicContact CE1-CZ 4.27Å; F635-F718 HydrophobicContact CZ-CE1 4.17Å; F635-F718 HydrophobicContact CZ-CE2 4.21Å; F635-F718 AromaticContact CZ-CZ 3.87Å; F635-F718 HydrophobicContact CZ-CZ 3.87Å
636	V	98	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.3	172.9	174.7	0	0	0	0	108	L563 V567 W573 D594 I595 M597 L662 Y713 I714 F715	L563-V636 HydrophobicContact CD1-CG2 4.49Å; L563-V636 HydrophobicContact CD2-CG2 3.82Å; L563-V636 HydrophobicContact CG-CG2 4.07Å; V567-V636 HydrophobicContact CG1-CB 4.33Å; V567-V636 HydrophobicContact CG1-CG2 4.22Å; V567-V636 HydrophobicContact CG2-CG1 4.13Å; W573-V636 HydrophobicContact CH2-CG1 4.08Å; W573-V636 HydrophobicContact CZ3-CG1 4.43Å; W573-V636 WeakPolarHBondContact CZ3-O 3.47Å; D594-V636 CarbonylContact C-O 3.57Å; D594-V636 WeakPolarHBondContact CA-O 3.35Å; D594-V636 WeakPolarHBondContact CB-O 3.3Å; I595-V636 PolarHBondContact N-O 3.44Å; I595-V636 PolarHBondContact O-N 3Å; M597-V636 HydrophobicContact CE-CB 4.35Å; M597-V636 HydrophobicContact CE-CG2 3.67Å; V636-L662 HydrophobicContact CG1-CD1 3.8Å; V636-L662 HydrophobicContact CG2-CD1 4.03Å; V636-Y713 HydrophobicContact CG1-CD1 4.3Å; V636-I714 CarbonylContact C-O 3.49Å; V636-I714 VanDerWaalsContact CA-O 3.31Å; V636-I714 WeakPolarHBondContact CA-O 3.46Å; V636-F715 HydrophobicContact CG2-CB 4.27Å; V636-F715 HydrophobicContact CG2-CD2 3.97Å; V636-F715 HydrophobicContact CG2-CG 4.23Å
637	V	97.2	Very high	94.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.7	176.2	-175.6	0	0	0	0	109.7	T592 R593 D594 F635 Y639 Y713 I714 V716	T592-V637 HydrophobicContact CG2-CG1 3.91Å; T592-V637 HydrophobicContact CG2-CG2 4.25Å; R593-V637 WeakPolarHBondContact O-CA 3.19Å; D594-V637 HydrophobicContact CB-CG2 4.22Å; F635-V637 HydrophobicContact CD2-CG2 3.57Å; F635-V637 HydrophobicContact CE2-CG2 3.6Å; V637-Y639 HydrophobicContact CB-CE2 4.21Å; V637-Y639 HydrophobicContact CG1-CD1 4.43Å; V637-Y639 HydrophobicContact CG1-CD2 4.06Å; V637-Y639 HydrophobicContact CG1-CE1 3.94Å; V637-Y639 HydrophobicContact CG1-CE2 3.55Å; V637-Y639 HydrophobicContact CG1-CG 4.48Å; V637-Y639 VanDerWaalsContact CG1-CZ 3.47Å; V637-Y713 WeakPolarHBondContact O-CA 3.48Å; V637-I714 HydrophobicContact CB-CD1 4.32Å; V637-I714 HydrophobicContact CB-CG1 3.81Å; V637-I714 HydrophobicContact CG2-CG1 4.35Å; V637-I714 PolarHBondContact N-O 3.39Å; V637-I714 PolarHBondContact O-N 3.39Å; V637-I714 VanDerWaalsContact O-N 3.1Å; V637-V716 HydrophobicContact CG2-CG2 4.27Å
638	R	97.3	Very high	95	Very high	18 Å²	18	50.3 Å²	50.3	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.8	174.7	-173.7	177.2	79.1	-174.2	-7	111.1	E568 W573 R593 K640 E643 T711 R712 Y713	E568-R638 VanDerWaalsContact CD-NH1 3.34Å; E568-R638 WeakPolarHBondContact OE1-CD 3.25Å; E568-R638 IonicContact OE1-CZ 3.15Å; E568-R638 IonicContact OE1-NE 3.8Å; E568-R638 IonicContact OE1-NH1 2.84Å; E568-R638 PolarHBondContact OE1-NH1 2.99Å; E568-R638 IonicContact OE2-NH1 3.69Å; E568-R638 PolarHBondContact OE2-NH1 3.19Å; W573-R638 HydrophobicContact CE3-CB 3.99Å; W573-R638 HydrophobicContact CH2-CB 3.82Å; W573-R638 HydrophobicContact CZ2-CB 4.38Å; W573-R638 HydrophobicContact CZ3-CB 3.59Å; W573-R638 VanDerWaalsContact NE1-NH1 3.13Å; R593-R638 PolarHBondContact O-N 2.89Å; R638-K640 HydrophobicContact CG-CG 4.35Å; R638-K640 VanDerWaalsContact CZ-NZ 3.28Å; R638-E643 IonicContact CZ-OE1 3.31Å; R638-E643 IonicContact CZ-OE2 3.69Å; R638-E643 IonicContact NE-OE1 3.89Å; R638-E643 IonicContact NE-OE2 3.63Å; R638-E643 VanDerWaalsContact NH2-CD 3.35Å; R638-E643 IonicContact NH2-OE1 3.37Å; R638-E643 PolarHBondContact NH2-OE1 3.47Å; R638-E643 IonicContact NH2-OE2 2.95Å; R638-E643 PolarHBondContact NH2-OE2 3.08Å; R638-T711 HydrophobicContact CG-CG2 3.37Å; R638-R712 WeakPolarHBondContact CA-O 3.15Å; R638-Y713 HydrophobicContact CB-CD1 3.98Å; R638-Y713 HydrophobicContact CB-CE1 3.84Å; R638-Y713 HydrophobicContact CG-CD1 3.94Å; R638-Y713 HydrophobicContact CG-CE1 3.44Å; R638-Y713 VanDerWaalsContact CG-CE1 3.44Å
639	Y	97.1	Very high	95	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.6	173	-59.7	-77.8	0	0	0	111.4	V637 Q644 L647 T707 R712 I714	V637-Y639 HydrophobicContact CB-CE2 4.21Å; V637-Y639 HydrophobicContact CG1-CD1 4.43Å; V637-Y639 HydrophobicContact CG1-CD2 4.06Å; V637-Y639 HydrophobicContact CG1-CE1 3.94Å; V637-Y639 HydrophobicContact CG1-CE2 3.55Å; V637-Y639 HydrophobicContact CG1-CG 4.48Å; V637-Y639 VanDerWaalsContact CG1-CZ 3.47Å; Y639-Q644 VanDerWaalsContact CA-O 3.25Å; Y639-Q644 WeakPolarHBondContact CA-O 3.19Å; Y639-Q644 WeakPolarHBondContact CD1-O 3.48Å; Y639-L647 HydrophobicContact CE1-CB 4.18Å; Y639-T707 WeakPolarHBondContact CB-OG1 3.44Å; Y639-R712 PolarHBondContact N-O 2.81Å; Y639-R712 PolarHBondContact O-N 3.33Å; Y639-I714 HydrophobicContact CE2-CD1 3.72Å; Y639-I714 HydrophobicContact CE2-CG1 4.08Å
640	K	96.1	Very high	95	Very high	34 Å²	34	47.5 Å²	47.5	15%	0.148	23%	0.229	C	C	.	.			trans	-137.4	149.2	174.6	-65.7	-174.7	-170.2	160.7	0	111.6	R638 D642 E643 Q644 P645 T711	R638-K640 HydrophobicContact CG-CG 4.35Å; R638-K640 VanDerWaalsContact CZ-NZ 3.28Å; K640-D642 VanDerWaalsContact CB-OD1 3.31Å; K640-D642 WeakPolarHBondContact CB-OD1 3.29Å; K640-D642 PolarHBondContact O-N 3.49Å; K640-E643 HydrophobicContact CB-CB 4.22Å; K640-E643 HydrophobicContact CB-CG 4.31Å; K640-E643 HydrophobicContact CD-CG 4.25Å; K640-E643 WeakPolarHBondContact CD-OE1 3.48Å; K640-E643 IonicContact NZ-OE1 2.83Å; K640-E643 PolarHBondContact NZ-OE1 3.13Å; K640-E643 PolarHBondContact O-N 2.83Å; K640-Q644 PolarHBondContact N-O 3.04Å; K640-Q644 CarbonylContact O-C 3.31Å; K640-Q644 VanDerWaalsContact O-C 3.31Å; K640-P645 VanDerWaalsContact O-CA 3.29Å; K640-P645 WeakPolarHBondContact O-CA 3.47Å; K640-P645 WeakPolarHBondContact O-CB 3.46Å; K640-T711 HydrophobicContact CD-CG2 4.22Å; K640-T711 VanDerWaalsContact CE-OG1 3.28Å; K640-T711 WeakPolarHBondContact CE-OG1 3.28Å; K640-T711 HydrophobicContact CG-CG2 3.66Å; K640-T711 WeakPolarHBondContact CG-OG1 3.42Å
641	P	95.5	Very high	95	Very high	62 Å²	62	45.9 Å²	45.9	40%	0.403	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.4	177.2	-25.6	34.9	0	0	0	114.8	G710	P641-G710 VanDerWaalsContact CD-O 3.26Å; P641-G710 WeakPolarHBondContact CD-O 3.32Å
642	D	94.3	Very high	95	Very high	131 Å²	131	46.1 Å²	46.1	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-3	-174.4	61.7	-38.9	0	0	0	114.1	K640	K640-D642 VanDerWaalsContact CB-OD1 3.31Å; K640-D642 WeakPolarHBondContact CB-OD1 3.29Å; K640-D642 PolarHBondContact O-N 3.49Å
643	E	92.1	Very high	95.2	Very high	53 Å²	53	42.3 Å²	42.3	25%	0.248	22%	0.224	C	C	.	.	S	Bend	trans	-118.5	-106.9	176.3	-59	-178.9	-156.3	0	0	109.7	R593 R638 K640 P645	R593-E643 VanDerWaalsContact CD-OE2 3.24Å; R593-E643 WeakPolarHBondContact CD-OE2 3.49Å; R593-E643 IonicContact CZ-OE2 3.56Å; R593-E643 IonicContact NE-OE2 2.88Å; R593-E643 VanDerWaalsContact NH1-CD 3.35Å; R593-E643 IonicContact NH1-OE2 3.65Å; R593-E643 PolarHBondContact NH1-OE2 3.48Å; R638-E643 IonicContact CZ-OE1 3.31Å; R638-E643 IonicContact CZ-OE2 3.69Å; R638-E643 IonicContact NE-OE1 3.89Å; R638-E643 IonicContact NE-OE2 3.63Å; R638-E643 VanDerWaalsContact NH2-CD 3.35Å; R638-E643 IonicContact NH2-OE1 3.37Å; R638-E643 PolarHBondContact NH2-OE1 3.47Å; R638-E643 IonicContact NH2-OE2 2.95Å; R638-E643 PolarHBondContact NH2-OE2 3.08Å; K640-E643 HydrophobicContact CB-CB 4.22Å; K640-E643 HydrophobicContact CB-CG 4.31Å; K640-E643 HydrophobicContact CD-CG 4.25Å; K640-E643 WeakPolarHBondContact CD-OE1 3.48Å; K640-E643 IonicContact NZ-OE1 2.83Å; K640-E643 PolarHBondContact NZ-OE1 3.13Å; K640-E643 PolarHBondContact O-N 2.83Å; E643-P645 WeakPolarHBondContact O-CD 3.18Å
644	Q	93.1	Very high	95.3	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.145	21%	0.208	C	C	.	.			trans	-109.9	104.2	172	-176.1	176.4	8.2	0	0	108.5	P591 T592 R593 Y639 K640 S646	P591-Q644 PolarHBondContact O-NE2 3.14Å; T592-Q644 VanDerWaalsContact CA-OE1 3.31Å; R593-Q644 HydrophobicContact CG-CB 4.11Å; Y639-Q644 VanDerWaalsContact CA-O 3.25Å; Y639-Q644 WeakPolarHBondContact CA-O 3.19Å; Y639-Q644 WeakPolarHBondContact CD1-O 3.48Å; K640-Q644 PolarHBondContact N-O 3.04Å; K640-Q644 CarbonylContact O-C 3.31Å; K640-Q644 VanDerWaalsContact O-C 3.31Å; Q644-S646 WeakPolarHBondContact CG-O 3.24Å
645	P	95.3	Very high	95.3	Very high	40 Å²	40	41.4 Å²	41.4	26%	0.26	22%	0.224	S	C	.	.			trans	-86.5	-18.3	-175.3	29.6	-34.4	0	0	0	114	K640 E643 P706 T707	K640-P645 VanDerWaalsContact O-CA 3.29Å; K640-P645 WeakPolarHBondContact O-CA 3.47Å; K640-P645 WeakPolarHBondContact O-CB 3.46Å; E643-P645 WeakPolarHBondContact O-CD 3.18Å; P645-P706 CarbonylContact O-C 3.51Å; P645-P706 VanDerWaalsContact O-CA 3.28Å; P645-P706 WeakPolarHBondContact O-CA 3.37Å; P645-T707 PolarHBondContact O-N 2.71Å
646	S	95.9	Very high	95.4	Very high	48 Å²	48	41.3 Å²	41.3	34%	0.336	22%	0.224	S	C	.	.			trans	-146.3	168.7	-170	63.4	0	0	0	0	111.4	Q644 G704	Q644-S646 WeakPolarHBondContact CG-O 3.24Å; S646-G704 WeakPolarHBondContact CA-O 3.08Å; S646-G704 WeakPolarHBondContact CB-O 3.49Å
647	L	95.5	Very high	95.4	Very high	18 Å²	18	41.6 Å²	41.6	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.7	174.4	-166.2	60.8	0	0	0	109.6	V590 T592 Y639 H650 E703 G704	V590-L647 HydrophobicContact CG1-CD1 3.65Å; V590-L647 HydrophobicContact CG1-CG 4.06Å; T592-L647 HydrophobicContact CG2-CD1 3.57Å; T592-L647 HydrophobicContact CG2-CD2 3.71Å; T592-L647 HydrophobicContact CG2-CG 4.25Å; Y639-L647 HydrophobicContact CE1-CB 4.18Å; L647-H650 WeakPolarHBondContact CD2-CE1 3.3Å; L647-E703 WeakPolarHBondContact O-CA 3.18Å; L647-E703 WeakPolarHBondContact O-CB 3.28Å; L647-G704 PolarHBondContact N-O 3.35Å; L647-G704 PolarHBondContact O-N 3.02Å
648	R	94.3	Very high	95.4	Very high	147 Å²	147	41.5 Å²	41.5	56%	0.555	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61	158.3	-177.8	64.4	179.9	-178	158.5	-1.4	112.3	N589 V590 H650	N589-R648 PolarHBondContact O-NH2 2.6Å; V590-R648 HydrophobicContact CG1-CG 3.97Å; R648-H650 PolarHBondContact O-N 2.92Å; R648-H650 PolarHBondContact O-ND1 3.47Å
649	P	95.6	Very high	95.4	Very high	61 Å²	61	41.4 Å²	41.4	40%	0.396	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	127.4	173.7	-27.4	33.2	0	0	0	113.2	L701 H702 E703	P649-L701 HydrophobicContact CB-CD2 4.28Å; P649-L701 HydrophobicContact CB-CG 4.31Å; P649-H702 CarbonylContact C-O 3.55Å; P649-H702 VanDerWaalsContact CA-O 3.26Å; P649-H702 WeakPolarHBondContact CA-O 3.32Å; P649-E703 HydrophobicContact CG-CB 4.02Å; P649-E703 WeakPolarHBondContact CG-OE2 3.31Å
650	H	95.2	Very high	95.5	Very high	21 Å²	21	41 Å²	41	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	171.6	-179.8	63.6	-67.8	0	0	0	112.7	V590 L647 R648 D652 L701 H702	V590-H650 HydrophobicContact CB-CB 4.4Å; V590-H650 HydrophobicContact CG1-CB 4.1Å; V590-H650 HydrophobicContact CG2-CB 3.77Å; L647-H650 WeakPolarHBondContact CD2-CE1 3.3Å; R648-H650 PolarHBondContact O-N 2.92Å; R648-H650 PolarHBondContact O-ND1 3.47Å; H650-D652 IonicContact CD2-OD1 2.81Å; H650-D652 PolarHBondContact CD2-OD1 3.45Å; H650-D652 IonicContact NE2-OD1 3.17Å; H650-D652 PolarHBondContact NE2-OD1 3.47Å; H650-L701 WeakPolarHBondContact O-CA 3.39Å; H650-L701 WeakPolarHBondContact O-CD1 3.4Å; H650-H702 AromaticContact CE1-CD2 3.93Å; H650-H702 AromaticContact CE1-CE1 3.99Å; H650-H702 AromaticContact CE1-NE2 3.47Å; H650-H702 PolarHBondContact CE1-NE2 3.07Å; H650-H702 PolarHBondContact N-O 3.03Å; H650-H702 PolarHBondContact ND1-O 2.71Å; H650-H702 AromaticContact NE2-CE1 3.74Å; H650-H702 AromaticContact NE2-NE2 3.45Å; H650-H702 PolarHBondContact NE2-NE2 3.3Å; H650-H702 PolarHBondContact O-N 2.78Å; H650-H702 VanDerWaalsContact O-N 3.07Å
651	H	94.4	Very high	95.6	Very high	81 Å²	81	39.5 Å²	39.5	38%	0.375	22%	0.218	S	C	.	.			trans	-111.3	151.2	166.1	-77.1	-67.5	0	0	0	109	G696 V698 L701	H651-G696 PolarHBondContact ND1-O 2.9Å; H651-V698 VanDerWaalsContact CE1-C 3.46Å; H651-L701 PolarHBondContact CE1-N 2.93Å; H651-L701 VanDerWaalsContact CE1-N 3.3Å
652	D	94.4	Very high	95.7	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	20%	0.2	C	C	.	.			trans	-91	148.1	176.6	-62.9	-24	0	0	0	110.8	H650 S654 T657 G696 R697 H702 F718	H650-D652 IonicContact CD2-OD1 2.81Å; H650-D652 PolarHBondContact CD2-OD1 3.45Å; H650-D652 IonicContact NE2-OD1 3.17Å; H650-D652 PolarHBondContact NE2-OD1 3.47Å; D652-S654 PolarHBondContact O-N 2.86Å; D652-T657 VanDerWaalsContact CB-OG1 3.29Å; D652-T657 WeakPolarHBondContact CB-OG1 3.3Å; D652-T657 VanDerWaalsContact OD2-CB 3.24Å; D652-T657 WeakPolarHBondContact OD2-CB 3.44Å; D652-T657 VanDerWaalsContact OD2-CG2 3.31Å; D652-T657 WeakPolarHBondContact OD2-CG2 3.41Å; D652-T657 PolarHBondContact OD2-OG1 3.28Å; D652-G696 PolarHBondContact N-O 2.86Å; D652-G696 CarbonylContact O-C 3.56Å; D652-R697 WeakPolarHBondContact O-CG 3.38Å; D652-H702 IonicContact OD1-CE1 2.64Å; D652-H702 PolarHBondContact OD1-CE1 2.8Å; D652-H702 IonicContact OD1-NE2 3.33Å; D652-H702 IonicContact OD2-CE1 3.86Å; D652-H702 PolarHBondContact OD2-CE1 3.33Å; D652-H702 VanDerWaalsContact OD2-CE1 3.31Å; D652-H702 IonicContact OD2-NE2 2.91Å; D652-F718 HydrophobicContact CB-CD1 3.91Å; D652-F718 HydrophobicContact CB-CE1 3.62Å; D652-F718 HydrophobicContact CB-CE2 4.3Å; D652-F718 HydrophobicContact CB-CG 4.38Å; D652-F718 HydrophobicContact CB-CZ 3.83Å; D652-F718 WeakPolarHBondContact OD1-CE1 3.5Å; D652-F718 WeakPolarHBondContact OD1-CZ 3.17Å; D652-F718 WeakPolarHBondContact OD2-CE1 3.47Å
653	A	92.9	Very high	95.8	Very high	54 Å²	54	31.2 Å²	31.2	45%	0.446	17%	0.17	S	C	.	.	S	Bend	trans	-80.7	60.3	172	0	0	0	0	0	110.4	P721	A653-P721 WeakPolarHBondContact O-CA 3.28Å; A653-P721 WeakPolarHBondContact O-CB 3.26Å
654	S	95.3	Very high	96	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-143.7	157.7	-177.2	68.8	0	0	0	0	111.2	D652 Y656 T657 G696 R697 V719	D652-S654 PolarHBondContact O-N 2.86Å; S654-Y656 VanDerWaalsContact CB-O 3.29Å; S654-Y656 WeakPolarHBondContact CB-O 3.47Å; S654-Y656 VanDerWaalsContact OG-C 3.23Å; S654-Y656 PolarHBondContact OG-O 3.35Å; S654-T657 PolarHBondContact OG-OG1 3.42Å; S654-G696 WeakPolarHBondContact OG-CA 3.12Å; S654-R697 WeakPolarHBondContact O-CD 3.45Å; S654-R697 WeakPolarHBondContact O-CG 3.33Å; S654-V719 WeakPolarHBondContact CB-O 3.47Å
655	S	96	Very high	96.1	Very high	48 Å²	48	33 Å²	33	34%	0.336	18%	0.181	S	C	.	.	S	Bend	trans	-68	-46.8	162.9	-63.9	0	0	0	0	109.2	Y625 P695 G696 V719 N720	Y625-S655 WeakPolarHBondContact OH-CB 3.33Å; Y625-S655 PolarHBondContact OH-OG 3.46Å; S655-P695 WeakPolarHBondContact O-CA 3.26Å; S655-G696 PolarHBondContact O-N 3.06Å; S655-G696 VanDerWaalsContact O-N 3.11Å; S655-V719 PolarHBondContact N-O 3.07Å; S655-N720 WeakPolarHBondContact CB-O 3.34Å; S655-N720 PolarHBondContact N-O 2.95Å; S655-N720 PolarHBondContact OG-O 3.22Å
656	Y	97.3	Very high	96.1	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.1	170.1	72.3	-89.1	0	0	0	110.7	V614 Q618 F622 Y625 S654 I658 V693 S694 V719	V614-Y656 HydrophobicContact CG1-CE2 4.41Å; V614-Y656 WeakPolarHBondContact CG1-OH 3.5Å; Q618-Y656 HydrophobicContact CG-CE1 4.07Å; Q618-Y656 PolarHBondContact OE1-OH 2.91Å; F622-Y656 HydrophobicContact CE2-CD1 4.47Å; F622-Y656 HydrophobicContact CE2-CD2 4.44Å; F622-Y656 HydrophobicContact CE2-CG 4.1Å; Y625-Y656 HydrophobicContact CE1-CD1 4.08Å; Y625-Y656 AromaticContact CE1-CE1 3.93Å; Y625-Y656 HydrophobicContact CE1-CE1 3.93Å; S654-Y656 VanDerWaalsContact CB-O 3.29Å; S654-Y656 WeakPolarHBondContact CB-O 3.47Å; S654-Y656 VanDerWaalsContact OG-C 3.23Å; S654-Y656 PolarHBondContact OG-O 3.35Å; Y656-I658 HydrophobicContact CD2-CG1 4.23Å; Y656-I658 HydrophobicContact CE2-CD1 4.08Å; Y656-I658 HydrophobicContact CE2-CG1 3.79Å; Y656-V693 HydrophobicContact CD2-CG1 3.66Å; Y656-V693 HydrophobicContact CE2-CG1 4.14Å; Y656-V693 HydrophobicContact CG-CG1 4.47Å; Y656-S694 CarbonylContact C-O 3.58Å; Y656-S694 VanDerWaalsContact CA-O 3.25Å; Y656-S694 WeakPolarHBondContact CA-O 3.12Å; Y656-S694 WeakPolarHBondContact CB-O 3.37Å; Y656-V719 HydrophobicContact CD1-CB 4.16Å; Y656-V719 HydrophobicContact CD1-CG1 4.34Å; Y656-V719 HydrophobicContact CD2-CB 4.16Å; Y656-V719 HydrophobicContact CD2-CG2 4.27Å; Y656-V719 HydrophobicContact CE1-CB 3.74Å; Y656-V719 HydrophobicContact CE1-CG1 3.51Å; Y656-V719 HydrophobicContact CE1-CG2 4.5Å; Y656-V719 HydrophobicContact CE2-CB 3.78Å; Y656-V719 HydrophobicContact CE2-CG1 4.15Å; Y656-V719 HydrophobicContact CE2-CG2 3.69Å; Y656-V719 HydrophobicContact CG-CB 4.37Å; Y656-V719 VanDerWaalsContact CZ-CG1 3.42Å; Y656-V719 PolarHBondContact N-O 2.84Å; Y656-V719 WeakPolarHBondContact O-CB 3.48Å; Y656-V719 PolarHBondContact O-N 2.72Å; Y656-V719 WeakPolarHBondContact OH-CG1 3.31Å
657	T	98	Very high	96.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.8	-179.9	-65.5	0	0	0	0	110.1	D652 S654 V693 S694 V716 T717 F718	D652-T657 VanDerWaalsContact CB-OG1 3.29Å; D652-T657 WeakPolarHBondContact CB-OG1 3.3Å; D652-T657 VanDerWaalsContact OD2-CB 3.24Å; D652-T657 WeakPolarHBondContact OD2-CB 3.44Å; D652-T657 VanDerWaalsContact OD2-CG2 3.31Å; D652-T657 WeakPolarHBondContact OD2-CG2 3.41Å; D652-T657 PolarHBondContact OD2-OG1 3.28Å; S654-T657 PolarHBondContact OG-OG1 3.42Å; T657-V693 WeakPolarHBondContact O-CA 3.43Å; T657-S694 PolarHBondContact N-O 2.9Å; T657-S694 PolarHBondContact O-N 2.76Å; T657-V716 HydrophobicContact CG2-CG1 3.91Å; T657-T717 WeakPolarHBondContact CA-O 3.49Å; T657-F718 HydrophobicContact CG2-CD1 3.91Å; T657-F718 HydrophobicContact CG2-CE1 3.99Å
658	I	98.1	Very high	96.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.5	168.2	-54.9	175	0	0	0	107.8	L610 V614 Y656 I660 A691 L692 V693 V716 T717 V719	L610-I658 HydrophobicContact CD2-CD1 3.76Å; V614-I658 HydrophobicContact CB-CD1 4.28Å; V614-I658 HydrophobicContact CG1-CD1 3.51Å; V614-I658 HydrophobicContact CG2-CD1 3.84Å; Y656-I658 HydrophobicContact CD2-CG1 4.23Å; Y656-I658 HydrophobicContact CE2-CD1 4.08Å; Y656-I658 HydrophobicContact CE2-CG1 3.79Å; I658-I660 HydrophobicContact CG2-CD1 4.24Å; I658-I660 HydrophobicContact CG2-CG1 3.92Å; I658-A691 HydrophobicContact CG2-CB 3.98Å; I658-L692 CarbonylContact C-O 3.43Å; I658-L692 WeakPolarHBondContact CA-O 3.17Å; I658-V693 HydrophobicContact CG1-CG2 4.14Å; I658-V693 HydrophobicContact CG2-CG2 4.49Å; I658-V716 CarbonylContact O-C 3.59Å; I658-V716 WeakPolarHBondContact O-CA 3.24Å; I658-T717 PolarHBondContact N-O 3.08Å; I658-T717 PolarHBondContact O-N 2.78Å; I658-V719 HydrophobicContact CD1-CG2 3.73Å; I658-V719 HydrophobicContact CG1-CG2 3.93Å
659	N	97.9	Very high	96.3	Very high	16 Å²	16	34.7 Å²	34.7	9%	0.086	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108.4	177.3	-170	-43.1	0	0	0	109.8	I674 L692	N659-I674 HydrophobicContact CB-CD1 4.29Å; N659-I674 VanDerWaalsContact ND2-CD1 3.34Å; N659-I674 WeakPolarHBondContact ND2-CD1 3.28Å; N659-L692 HydrophobicContact CB-CB 4.33Å; N659-L692 PolarHBondContact N-O 2.87Å; N659-L692 PolarHBondContact O-N 2.64Å
660	I	98.4	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.3	-175.7	-55.4	166.5	0	0	0	109.2	L554 V555 W606 I658 L662 W690 A691 I714 F715	L554-I660 HydrophobicContact CD2-CD1 3.82Å; L554-I660 HydrophobicContact CD2-CG1 4.44Å; V555-I660 HydrophobicContact CG2-CG2 3.84Å; W606-I660 HydrophobicContact CH2-CD1 3.61Å; W606-I660 HydrophobicContact CZ2-CD1 4.16Å; I658-I660 HydrophobicContact CG2-CD1 4.24Å; I658-I660 HydrophobicContact CG2-CG1 3.92Å; I660-L662 HydrophobicContact CG2-CD2 4.19Å; I660-L662 PolarHBondContact O-N 2.94Å; I660-W690 WeakPolarHBondContact CA-O 3.07Å; I660-A691 HydrophobicContact CG1-CB 3.98Å; I660-I714 CarbonylContact O-C 3.56Å; I660-I714 WeakPolarHBondContact O-CA 3.39Å; I660-F715 HydrophobicContact CB-CB 4.25Å; I660-F715 HydrophobicContact CD1-CD1 4.13Å; I660-F715 PolarHBondContact N-O 2.81Å; I660-F715 PolarHBondContact O-N 3.31Å
661	G	97.4	Very high	96.4	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121	169.8	0	0	0	0	0	110.8	V688 G689 W690	G661-V688 CarbonylContact O-C 3.56Å; G661-V688 WeakPolarHBondContact O-CA 3.46Å; G661-G689 PolarHBondContact O-N 3.4Å; G661-W690 PolarHBondContact N-O 2.81Å
662	L	98.3	Very high	96.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	22%	0.216	C	C	.	.			trans	-96	-18.6	-177.5	-61.2	-179.6	0	0	0	113.6	C560 L563 I564 V636 I660 Y713 F715	C560-L662 HydrophobicContact CB-CB 4.33Å; C560-L662 HydrophobicContact CB-CD2 4.15Å; C560-L662 VanDerWaalsContact CB-O 3.25Å; C560-L662 WeakPolarHBondContact CB-O 3.42Å; L563-L662 HydrophobicContact CD2-CD1 4.18Å; L563-L662 HydrophobicContact CD2-CD2 4.29Å; I564-L662 HydrophobicContact CD1-CB 3.76Å; I564-L662 WeakPolarHBondContact CD1-O 3.36Å; I564-L662 HydrophobicContact CG1-CB 4.03Å; I564-L662 HydrophobicContact CG1-CD1 4.15Å; V636-L662 HydrophobicContact CG1-CD1 3.8Å; V636-L662 HydrophobicContact CG2-CD1 4.03Å; I660-L662 HydrophobicContact CG2-CD2 4.19Å; I660-L662 PolarHBondContact O-N 2.94Å; L662-Y713 PolarHBondContact N-O 3.45Å; L662-F715 HydrophobicContact CD1-CB 4.03Å; L662-F715 HydrophobicContact CD2-CB 3.94Å; L662-F715 HydrophobicContact CG-CB 4.11Å
663	N	97.6	Very high	96.5	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	21%	0.214	C	C	.	.	S	Bend	trans	-143.2	170.7	178.4	70.5	-20.8	0	0	0	112.7	I564 D668 Y669 T711 Y713	I564-N663 HydrophobicContact CD1-CB 3.97Å; N663-D668 HydrophobicContact CB-CB 4.09Å; N663-D668 WeakPolarHBondContact CB-OD2 3.2Å; N663-D668 VanDerWaalsContact ND2-CB 3.3Å; N663-D668 WeakPolarHBondContact ND2-CB 3.45Å; N663-Y669 WeakPolarHBondContact OD1-CE1 3.44Å; N663-T711 PolarHBondContact ND2-O 2.93Å; N663-Y713 WeakPolarHBondContact ND2-CD2 3.35Å; N663-Y713 PolarHBondContact OD1-N 3.01Å
664	Q	96.3	Very high	96.7	Very high	93 Å²	93	33.4 Å²	33.4	44%	0.435	19%	0.194	S	C	.	.			trans	-93.2	124	-159.5	-172.3	173.9	22.7	0	0	112.6	K667 D668 V688	Q664-K667 HydrophobicContact CB-CB 4.15Å; Q664-K667 HydrophobicContact CG-CB 4.18Å; Q664-K667 PolarHBondContact O-N 2.89Å; Q664-D668 WeakPolarHBondContact CA-OD2 3.5Å; Q664-D668 WeakPolarHBondContact CB-OD2 2.95Å; Q664-D668 PolarHBondContact N-OD2 3.1Å; Q664-D668 PolarHBondContact O-N 3.21Å; Q664-V688 HydrophobicContact CB-CG2 3.9Å
665	P	95	Very high	96.8	Very high	29 Å²	29	37.3 Å²	37.3	19%	0.188	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-64	142.3	172	26.6	-33.1	0	0	0	110.8	K667 Y669 D685 T686	P665-K667 PolarHBondContact O-N 2.86Å; P665-Y669 HydrophobicContact CB-CE1 4.25Å; P665-Y669 HydrophobicContact CB-CE2 4.06Å; P665-D685 HydrophobicContact CG-CB 4.26Å; P665-T686 WeakPolarHBondContact CD-O 3.48Å; P665-T686 WeakPolarHBondContact CG-O 3.15Å
666	G	94.7	Very high	96.9	Very high	65 Å²	65	35.2 Å²	35.2	67%	0.67	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	-23.4	-176.8	0	0	0	0	0	114.7	Y669	G666-Y669 WeakPolarHBondContact CA-O 3.5Å; G666-Y669 PolarHBondContact N-O 2.95Å
667	K	95.6	Very high	96.8	Very high	156 Å²	156	37.4 Å²	37.4	68%	0.678	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-56.9	176.1	-176.6	-175.5	175.9	-172.8	0	111.8	Q664 P665	Q664-K667 HydrophobicContact CB-CB 4.15Å; Q664-K667 HydrophobicContact CG-CB 4.18Å; Q664-K667 PolarHBondContact O-N 2.89Å; P665-K667 PolarHBondContact O-N 2.86Å
668	D	96.8	Very high	96.8	Very high	63 Å²	63	43.7 Å²	43.7	34%	0.337	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-25.6	-173.7	-52.8	-50.7	0	0	0	112.4	N663 Q664 G710 T711	N663-D668 HydrophobicContact CB-CB 4.09Å; N663-D668 WeakPolarHBondContact CB-OD2 3.2Å; N663-D668 VanDerWaalsContact ND2-CB 3.3Å; N663-D668 WeakPolarHBondContact ND2-CB 3.45Å; Q664-D668 WeakPolarHBondContact CA-OD2 3.5Å; Q664-D668 WeakPolarHBondContact CB-OD2 2.95Å; Q664-D668 PolarHBondContact N-OD2 3.1Å; Q664-D668 PolarHBondContact O-N 3.21Å; D668-G710 WeakPolarHBondContact O-CA 3.3Å; D668-T711 PolarHBondContact O-N 3.33Å
669	Y	97.4	Very high	96.7	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.6	174.6	69.1	-84.9	0	0	0	113.3	N663 P665 G666 G671 T686 T707 G709 R712	N663-Y669 WeakPolarHBondContact OD1-CE1 3.44Å; P665-Y669 HydrophobicContact CB-CE1 4.25Å; P665-Y669 HydrophobicContact CB-CE2 4.06Å; G666-Y669 WeakPolarHBondContact CA-O 3.5Å; G666-Y669 PolarHBondContact N-O 2.95Å; Y669-G671 WeakPolarHBondContact CD2-O 3.18Å; Y669-G671 VanDerWaalsContact CE2-O 3.22Å; Y669-G671 WeakPolarHBondContact CE2-O 3.28Å; Y669-T686 PolarHBondContact OH-OG1 2.98Å; Y669-T686 VanDerWaalsContact OH-OG1 3.06Å; Y669-T707 HydrophobicContact CD2-CG2 4.44Å; Y669-G709 CarbonylContact C-O 3.45Å; Y669-G709 WeakPolarHBondContact CA-O 3.22Å; Y669-G709 WeakPolarHBondContact CB-O 3.39Å; Y669-R712 HydrophobicContact CD1-CB 3.81Å; Y669-R712 HydrophobicContact CD1-CG 4.04Å; Y669-R712 HydrophobicContact CD2-CB 3.76Å; Y669-R712 HydrophobicContact CD2-CG 4.03Å; Y669-R712 HydrophobicContact CE1-CB 4.11Å; Y669-R712 HydrophobicContact CE1-CG 3.8Å; Y669-R712 HydrophobicContact CE2-CB 4.08Å; Y669-R712 HydrophobicContact CE2-CG 3.79Å; Y669-R712 HydrophobicContact CG-CB 3.62Å; Y669-R712 HydrophobicContact CG-CG 4.15Å
670	K	97	Very high	96.6	Very high	141 Å²	141	51 Å²	51	61%	0.613	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.3	172.7	-63.3	-177.7	-177.9	178.6	0	110	T707 T708 G709	K670-T707 CarbonylContact O-C 3.57Å; K670-T708 PolarHBondContact O-N 2.91Å; K670-T708 PolarHBondContact O-OG1 3.4Å; K670-G709 PolarHBondContact N-O 3.18Å; K670-G709 PolarHBondContact O-N 2.93Å
671	G	95.2	Very high	96.6	Very high	45 Å²	45	52.2 Å²	52.2	46%	0.464	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.3	-153	-171.5	0	0	0	0	0	111	Y669	Y669-G671 WeakPolarHBondContact CD2-O 3.18Å; Y669-G671 VanDerWaalsContact CE2-O 3.22Å; Y669-G671 WeakPolarHBondContact CE2-O 3.28Å
672	G	94.6	Very high	96.6	Very high	5 Å²	5	54.9 Å²	54.9	5%	0.052	29%	0.291	C	S	.	.			trans	80	-173.5	-177.7	0	0	0	0	0	113.3	L705 P706	G672-L705 WeakPolarHBondContact CA-O 3.49Å; G672-P706 PolarHBondContact N-O 2.86Å
673	G	95.9	Very high	96.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.01	29%	0.292	C	S	.	.			trans	115.3	-168.5	-174	0	0	0	0	0	112.1	I683 L705 R712	G673-I683 CarbonylContact C-O 3.6Å; G673-I683 WeakPolarHBondContact CA-O 3.43Å; G673-L705 PolarHBondContact O-N 2.8Å; G673-L705 VanDerWaalsContact O-N 3.1Å; G673-R712 VanDerWaalsContact N-CZ 3.33Å; G673-R712 VanDerWaalsContact N-NH1 3.15Å; G673-R712 PolarHBondContact O-NH1 2.9Å
674	I	97.3	Very high	96.2	Very high	4 Å²	4	58 Å²	58	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136	179.1	-54.5	173.5	0	0	0	107.6	N659 Y676 S682 I683 L692 H702 E703	N659-I674 HydrophobicContact CB-CD1 4.29Å; N659-I674 VanDerWaalsContact ND2-CD1 3.34Å; N659-I674 WeakPolarHBondContact ND2-CD1 3.28Å; I674-Y676 HydrophobicContact CG2-CD2 4.4Å; I674-Y676 HydrophobicContact CG2-CE2 3.92Å; I674-S682 CarbonylContact O-C 3.57Å; I674-S682 WeakPolarHBondContact O-CA 3.22Å; I674-I683 PolarHBondContact N-O 3Å; I674-I683 PolarHBondContact O-N 2.96Å; I674-L692 HydrophobicContact CD1-CD1 3.88Å; I674-H702 HydrophobicContact CG2-CB 4.12Å; I674-E703 WeakPolarHBondContact CA-O 3.4Å
675	R	97.7	Very high	95.9	Very high	83 Å²	83	58.9 Å²	58.9	31%	0.313	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.9	170.4	-179.7	-169.9	-166.5	-174.4	0.5	109.9	N677 N680 C681 S682 H702 E703 L705	R675-N677 PolarHBondContact O-OD1 2.89Å; R675-N680 PolarHBondContact NH2-OD1 3.05Å; R675-C681 WeakPolarHBondContact CA-O 3.45Å; R675-S682 WeakPolarHBondContact CG-OG 3.2Å; R675-H702 CarbonylContact O-C 3.56Å; R675-H702 WeakPolarHBondContact O-CA 3.25Å; R675-H702 WeakPolarHBondContact O-CB 3.43Å; R675-E703 HydrophobicContact CB-CG 3.8Å; R675-E703 WeakPolarHBondContact CD-OE1 3.11Å; R675-E703 PolarHBondContact N-O 3.44Å; R675-E703 IonicContact NH1-OE1 2.69Å; R675-E703 PolarHBondContact NH1-OE1 3.1Å; R675-E703 PolarHBondContact O-N 2.96Å; R675-L705 HydrophobicContact CB-CD1 4.48Å; R675-L705 HydrophobicContact CB-CD2 3.95Å; R675-L705 HydrophobicContact CB-CG 4.24Å
676	Y	97.8	Very high	95.7	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	100.2	172.4	-64.9	-84.1	0	0	0	109.3	C546 V549 I674 R678 Y679 N680 C681 I683 S694 H700 H702	C546-Y676 HydrophobicContact CB-CD2 4.31Å; V549-Y676 HydrophobicContact CB-CE2 4.31Å; V549-Y676 HydrophobicContact CG1-CE2 3.79Å; V549-Y676 HydrophobicContact CG2-CD1 4.24Å; V549-Y676 HydrophobicContact CG2-CD2 3.99Å; V549-Y676 HydrophobicContact CG2-CE1 3.95Å; V549-Y676 HydrophobicContact CG2-CE2 3.68Å; V549-Y676 HydrophobicContact CG2-CG 4.25Å; I674-Y676 HydrophobicContact CG2-CD2 4.4Å; I674-Y676 HydrophobicContact CG2-CE2 3.92Å; Y676-R678 VanDerWaalsContact C-N 3.31Å; Y676-R678 PolarHBondContact O-N 3.37Å; Y676-Y679 PolarHBondContact O-N 3.21Å; Y676-Y679 VanDerWaalsContact O-N 3.11Å; Y676-N680 PolarHBondContact O-N 2.73Å; Y676-N680 VanDerWaalsContact O-N 3.16Å; Y676-C681 PolarHBondContact N-O 2.97Å; Y676-C681 PolarHBondContact O-N 2.82Å; Y676-I683 HydrophobicContact CE2-CD1 3.96Å; Y676-S694 WeakPolarHBondContact OH-CB 3.5Å; Y676-S694 PolarHBondContact OH-OG 2.54Å; Y676-H700 HydrophobicContact CD1-CB 3.81Å; Y676-H700 AromaticContact CD1-CD2 3.8Å; Y676-H700 HydrophobicContact CE1-CB 3.97Å; Y676-H700 AromaticContact CE1-CD2 3.94Å; Y676-H702 HydrophobicContact CD1-CB 3.66Å; Y676-H702 HydrophobicContact CE1-CB 3.89Å; Y676-H702 HydrophobicContact CG-CB 4.33Å
677	N	96.3	Very high	95.7	Very high	50 Å²	50	60.3 Å²	60.3	27%	0.267	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.2	-42.7	-165.4	-63.4	49.6	0	0	0	111.9	R675 Y679 N680 L701	R675-N677 PolarHBondContact O-OD1 2.89Å; N677-Y679 PolarHBondContact O-N 3.17Å; N677-N680 PolarHBondContact O-N 2.77Å; N677-L701 HydrophobicContact CB-CD2 4.39Å; N677-L701 PolarHBondContact N-O 3.44Å; N677-L701 PolarHBondContact OD1-O 3.1Å
678	R	96.9	Very high	95.8	Very high	137 Å²	137	54 Å²	54	52%	0.517	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.9	-177	-159.3	-179.6	72.4	169.9	4	113.6	Y676 T699	Y676-R678 VanDerWaalsContact C-N 3.31Å; Y676-R678 PolarHBondContact O-N 3.37Å; R678-T699 WeakPolarHBondContact CD-O 3.35Å; R678-T699 PolarHBondContact NE-O 2.94Å; R678-T699 VanDerWaalsContact NH1-CB 3.29Å; R678-T699 VanDerWaalsContact NH1-CG2 3.31Å
679	Y	96.5	Very high	95.9	Very high	55 Å²	55	51 Å²	51	22%	0.216	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104.6	-1.4	-179.4	-48.6	-64.2	0	0	0	113.1	P547 Y676 N677 C681 H700	P547-Y679 HydrophobicContact CB-CD1 4.11Å; P547-Y679 HydrophobicContact CB-CE1 3.95Å; P547-Y679 HydrophobicContact CB-CG 4.45Å; P547-Y679 HydrophobicContact CG-CD1 3.93Å; P547-Y679 HydrophobicContact CG-CE1 4.29Å; P547-Y679 HydrophobicContact CG-CG 4.12Å; Y676-Y679 PolarHBondContact O-N 3.21Å; Y676-Y679 VanDerWaalsContact O-N 3.11Å; N677-Y679 PolarHBondContact O-N 3.17Å; Y679-C681 PolarHBondContact O-N 2.97Å; Y679-C681 VanDerWaalsContact O-N 3.11Å; Y679-H700 AromaticContact CE2-CD2 3.58Å; Y679-H700 AromaticContact CE2-NE2 3.47Å; Y679-H700 WeakPolarHBondContact CE2-NE2 3.49Å; Y679-H700 AromaticContact CZ-NE2 3.85Å; Y679-H700 PolarHBondContact OH-CE1 2.94Å; Y679-H700 PolarHBondContact OH-NE2 2.89Å
680	N	96.3	Very high	95.9	Very high	115 Å²	115	52 Å²	52	62%	0.615	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	39.2	-168.9	-166.9	40.6	0	0	0	112.6	R675 Y676 N677	R675-N680 PolarHBondContact NH2-OD1 3.05Å; Y676-N680 PolarHBondContact O-N 2.73Å; Y676-N680 VanDerWaalsContact O-N 3.16Å; N677-N680 PolarHBondContact O-N 2.77Å
681	C	97.6	Very high	95.9	Very high	26 Å²	26	45.2 Å²	45.2	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.8	-174.5	-176.2	0	0	0	0	109.4	P545 C546 R675 Y676 Y679	P545-C681 PolarHBondContact O-SG 3.43Å; C546-C681 WeakPolarHBondContact CA-SG 3.46Å; C546-C681 HydrophobicContact CB-CB 3.71Å; C546-C681 WeakPolarHBondContact CB-SG 3.34Å; C546-C681 WeakPolarHBondContact SG-CB 3.42Å; C546-C681 CovalentContact SG-SG 2.03Å; C546-C681 PolarHBondContact SG-SG 3.33Å; R675-C681 WeakPolarHBondContact CA-O 3.45Å; Y676-C681 PolarHBondContact N-O 2.97Å; Y676-C681 PolarHBondContact O-N 2.82Å; Y679-C681 PolarHBondContact O-N 2.97Å; Y679-C681 VanDerWaalsContact O-N 3.11Å
682	S	97.1	Very high	96.1	Very high	58 Å²	58	43.2 Å²	43.2	41%	0.406	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.9	-179.5	-61.6	0	0	0	0	110	I674 R675	I674-S682 CarbonylContact O-C 3.57Å; I674-S682 WeakPolarHBondContact O-CA 3.22Å; R675-S682 WeakPolarHBondContact CG-OG 3.2Å
683	I	96.5	Very high	96.2	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	99.8	171.2	-51.3	178.3	0	0	0	106.6	P545 V549 G673 I674 Y676 L692	P545-I683 HydrophobicContact CB-CD1 3.93Å; P545-I683 HydrophobicContact CB-CG1 4.13Å; P545-I683 HydrophobicContact CG-CD1 3.48Å; P545-I683 VanDerWaalsContact CG-CD1 3.48Å; P545-I683 HydrophobicContact CG-CG1 4.22Å; V549-I683 HydrophobicContact CG1-CD1 3.72Å; G673-I683 CarbonylContact C-O 3.6Å; G673-I683 WeakPolarHBondContact CA-O 3.43Å; I674-I683 PolarHBondContact N-O 3Å; I674-I683 PolarHBondContact O-N 2.96Å; Y676-I683 HydrophobicContact CE2-CD1 3.96Å; I683-L692 HydrophobicContact CB-CD1 4.43Å; I683-L692 HydrophobicContact CD1-CD1 4.1Å; I683-L692 HydrophobicContact CD1-CD2 3.54Å; I683-L692 HydrophobicContact CD1-CG 4.48Å; I683-L692 HydrophobicContact CG2-CD1 4.08Å; I683-L692 HydrophobicContact CG2-CD2 4.35Å
684	V	92.3	Very high	96.3	Very high	74 Å²	74	43.2 Å²	43.2	45%	0.448	21%	0.21	S	C	.	.			trans	-98.2	165.5	168.8	-62.1	0	0	0	0	108.5	L705	V684-L705 HydrophobicContact CG1-CD1 4.01Å
685	D	88.8	Confident	96.3	Very high	113 Å²	113	44.2 Å²	44.2	60%	0.604	22%	0.217	S	C	*	.	S	Bend	trans	60.5	51.3	178	-51.8	-41.5	0	0	0	114.6	P665 R687	P665-D685 HydrophobicContact CG-CB 4.26Å; D685-R687 PolarHBondContact O-N 2.9Å
686	T	91.2	Very high	96.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-62.2	130	176.9	56.9	0	0	0	0	111.4	P665 Y669 L692	P665-T686 WeakPolarHBondContact CD-O 3.48Å; P665-T686 WeakPolarHBondContact CG-O 3.15Å; Y669-T686 PolarHBondContact OH-OG1 2.98Å; Y669-T686 VanDerWaalsContact OH-OG1 3.06Å; T686-L692 HydrophobicContact CG2-CD1 4.18Å
687	R	95.1	Very high	95.9	Very high	121 Å²	121	45.6 Å²	45.6	46%	0.457	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-75.8	140.1	178.3	-59.9	168.3	-168.9	178.4	3	110.2	W551 D685 G689 W690	W551-R687 HydrophobicContact CH2-CG 3.72Å; W551-R687 HydrophobicContact CZ2-CB 4Å; W551-R687 HydrophobicContact CZ2-CG 3.68Å; D685-R687 PolarHBondContact O-N 2.9Å; R687-G689 PolarHBondContact O-N 3.33Å; R687-W690 HydrophobicContact CB-CB 3.97Å; R687-W690 VanDerWaalsContact CB-CD1 3.47Å; R687-W690 HydrophobicContact CB-CD2 4.29Å; R687-W690 HydrophobicContact CB-CG 3.63Å; R687-W690 HydrophobicContact CG-CG 4.48Å; R687-W690 VanDerWaalsContact NH1-CH2 3.27Å; R687-W690 PolarHBondContact O-N 2.8Å
688	V	97.6	Very high	95.8	Very high	23 Å²	23	49 Å²	49	14%	0.139	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-62.6	129.6	178.5	-176.7	0	0	0	0	109.8	E557 C560 G661 Q664 W690	E557-V688 HydrophobicContact CB-CG1 4.46Å; E557-V688 HydrophobicContact CG-CB 4.39Å; E557-V688 HydrophobicContact CG-CG1 4.02Å; C560-V688 HydrophobicContact CB-CG1 3.87Å; G661-V688 CarbonylContact O-C 3.56Å; G661-V688 WeakPolarHBondContact O-CA 3.46Å; Q664-V688 HydrophobicContact CB-CG2 3.9Å; V688-W690 PolarHBondContact O-N 3.17Å
689	G	98.1	Very high	95.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-0.1	178.1	0	0	0	0	0	115.6	L554 V555 C560 G661 R687	L554-G689 PolarHBondContact N-O 3.12Å; V555-G689 PolarHBondContact N-O 3.32Å; V555-G689 VanDerWaalsContact N-O 3.09Å; V555-G689 WeakPolarHBondContact O-CA 3.16Å; C560-G689 VanDerWaalsContact SG-CA 3.57Å; G661-G689 PolarHBondContact O-N 3.4Å; R687-G689 PolarHBondContact O-N 3.33Å
690	W	98.2	Very high	95.8	Very high	25 Å²	25	41.7 Å²	41.7	10%	0.095	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.9	174.6	-72.4	57.7	0	0	0	111.2	H526 F532 W551 F552 P553 I660 G661 R687 V688	H526-W690 AromaticContact NE2-NE1 3.68Å; F532-W690 HydrophobicContact CZ-CH2 4.31Å; W551-W690 HydrophobicContact CD2-CE3 4.26Å; W551-W690 HydrophobicContact CG-CE3 4.17Å; F552-W690 VanDerWaalsContact C-CE3 3.41Å; F552-W690 CarbonylContact O-C 3.51Å; F552-W690 WeakPolarHBondContact O-CA 3.49Å; P553-W690 HydrophobicContact CB-CD2 4.11Å; P553-W690 HydrophobicContact CB-CG 4.45Å; P553-W690 HydrophobicContact CB-CZ2 4.01Å; P553-W690 HydrophobicContact CG-CH2 4.16Å; P553-W690 HydrophobicContact CG-CZ2 4.03Å; I660-W690 WeakPolarHBondContact CA-O 3.07Å; G661-W690 PolarHBondContact N-O 2.81Å; R687-W690 HydrophobicContact CB-CB 3.97Å; R687-W690 VanDerWaalsContact CB-CD1 3.47Å; R687-W690 HydrophobicContact CB-CD2 4.29Å; R687-W690 HydrophobicContact CB-CG 3.63Å; R687-W690 HydrophobicContact CG-CG 4.48Å; R687-W690 VanDerWaalsContact NH1-CH2 3.27Å; R687-W690 PolarHBondContact O-N 2.8Å; V688-W690 PolarHBondContact O-N 3.17Å
691	A	98	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	-179.9	0	0	0	0	0	110.7	W551 F552 L554 I658 I660	W551-A691 WeakPolarHBondContact CA-O 3.48Å; F552-A691 HydrophobicContact CE1-CB 4.13Å; F552-A691 HydrophobicContact CE2-CB 4.27Å; F552-A691 HydrophobicContact CZ-CB 3.95Å; F552-A691 PolarHBondContact N-O 3.35Å; F552-A691 PolarHBondContact O-N 3.22Å; L554-A691 HydrophobicContact CB-CB 3.95Å; L554-A691 HydrophobicContact CD2-CB 3.96Å; I658-A691 HydrophobicContact CG2-CB 3.98Å; I660-A691 HydrophobicContact CG1-CB 3.98Å
692	L	97.7	Very high	95.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.5	162.1	-72.9	168.9	0	0	0	109.1	P545 V549 F550 W551 I658 N659 I674 I683 T686	P545-L692 HydrophobicContact CG-CD2 4.25Å; V549-L692 HydrophobicContact CG1-CD2 4.1Å; F550-L692 CarbonylContact O-C 3.56Å; F550-L692 WeakPolarHBondContact O-CA 3.34Å; W551-L692 HydrophobicContact CB-CD2 3.82Å; W551-L692 HydrophobicContact CD2-CD2 4.14Å; W551-L692 HydrophobicContact CG-CD2 3.55Å; W551-L692 HydrophobicContact CG-CG 4.3Å; I658-L692 CarbonylContact C-O 3.43Å; I658-L692 WeakPolarHBondContact CA-O 3.17Å; N659-L692 HydrophobicContact CB-CB 4.33Å; N659-L692 PolarHBondContact N-O 2.87Å; N659-L692 PolarHBondContact O-N 2.64Å; I674-L692 HydrophobicContact CD1-CD1 3.88Å; I683-L692 HydrophobicContact CB-CD1 4.43Å; I683-L692 HydrophobicContact CD1-CD1 4.1Å; I683-L692 HydrophobicContact CD1-CD2 3.54Å; I683-L692 HydrophobicContact CD1-CG 4.48Å; I683-L692 HydrophobicContact CG2-CD1 4.08Å; I683-L692 HydrophobicContact CG2-CD2 4.35Å; T686-L692 HydrophobicContact CG2-CD1 4.18Å
693	V	97.7	Very high	95.8	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.4	-180	177	0	0	0	0	110.1	V549 F550 F552 L621 F622 Y656 T657 I658	V549-V693 CarbonylContact C-O 3.36Å; V549-V693 WeakPolarHBondContact CA-O 3.25Å; F550-V693 PolarHBondContact N-O 2.69Å; F550-V693 PolarHBondContact O-N 3Å; F552-V693 HydrophobicContact CD1-CG2 4.46Å; F552-V693 HydrophobicContact CE1-CB 4.42Å; F552-V693 HydrophobicContact CE1-CG2 3.53Å; F552-V693 HydrophobicContact CZ-CG2 4.23Å; L621-V693 HydrophobicContact CD1-CB 4.08Å; L621-V693 HydrophobicContact CD1-CG1 3.97Å; F622-V693 HydrophobicContact CE2-CG1 3.81Å; F622-V693 HydrophobicContact CZ-CG1 4.09Å; Y656-V693 HydrophobicContact CD2-CG1 3.66Å; Y656-V693 HydrophobicContact CE2-CG1 4.14Å; Y656-V693 HydrophobicContact CG-CG1 4.47Å; T657-V693 WeakPolarHBondContact O-CA 3.43Å; I658-V693 HydrophobicContact CG1-CG2 4.14Å; I658-V693 HydrophobicContact CG2-CG2 4.49Å
694	S	97.4	Very high	95.8	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.5	-177.8	57.8	0	0	0	0	111.7	Y656 T657 Y676 G696	Y656-S694 CarbonylContact C-O 3.58Å; Y656-S694 VanDerWaalsContact CA-O 3.25Å; Y656-S694 WeakPolarHBondContact CA-O 3.12Å; Y656-S694 WeakPolarHBondContact CB-O 3.37Å; T657-S694 PolarHBondContact N-O 2.9Å; T657-S694 PolarHBondContact O-N 2.76Å; Y676-S694 WeakPolarHBondContact OH-CB 3.5Å; Y676-S694 PolarHBondContact OH-OG 2.54Å; S694-G696 PolarHBondContact O-N 3.11Å
695	P	97.4	Very high	96	Very high	25 Å²	25	35.8 Å²	35.8	16%	0.162	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	132.3	172.3	-25.9	33	0	0	0	112.3	D548 F622 S655 H700	D548-P695 HydrophobicContact CB-CG 4.48Å; D548-P695 VanDerWaalsContact O-CD 3.24Å; D548-P695 WeakPolarHBondContact O-CD 3.44Å; F622-P695 HydrophobicContact CE1-CG 4.41Å; S655-P695 WeakPolarHBondContact O-CA 3.26Å; P695-H700 VanDerWaalsContact CD-CE1 3.41Å; P695-H700 WeakPolarHBondContact CD-CE1 3.14Å; P695-H700 VanDerWaalsContact O-CB 3.28Å; P695-H700 WeakPolarHBondContact O-CB 3.39Å
696	G	95.3	Very high	96.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.172	C	C	.	.			trans	-79.4	-34.1	-176.1	0	0	0	0	0	114.3	H651 D652 S654 S655 S694	H651-G696 PolarHBondContact ND1-O 2.9Å; D652-G696 PolarHBondContact N-O 2.86Å; D652-G696 CarbonylContact O-C 3.56Å; S654-G696 WeakPolarHBondContact OG-CA 3.12Å; S655-G696 PolarHBondContact O-N 3.06Å; S655-G696 VanDerWaalsContact O-N 3.11Å; S694-G696 PolarHBondContact O-N 3.11Å
697	R	92.8	Very high	96.7	Very high	115 Å²	115	33.6 Å²	33.6	43%	0.434	17%	0.172	S	C	.	.	S	Bend	trans	-107.1	155.8	-172.2	-72.1	170.4	171.7	151.7	2.5	113.1	D652 S654 T699 P721	D652-R697 WeakPolarHBondContact O-CG 3.38Å; S654-R697 WeakPolarHBondContact O-CD 3.45Å; S654-R697 WeakPolarHBondContact O-CG 3.33Å; R697-T699 PolarHBondContact O-N 2.95Å; R697-T699 PolarHBondContact O-OG1 3Å; R697-P721 PolarHBondContact NH1-OXT 2.83Å; R697-P721 PolarHBondContact NH2-OXT 3.19Å
698	V	94.2	Very high	96.8	Very high	121 Å²	121	32.6 Å²	32.6	73%	0.733	18%	0.179	S	C	*	.	S	Bend	trans	66.1	-49.4	169.8	-176.1	0	0	0	0	115.2	H651	H651-V698 VanDerWaalsContact CE1-C 3.46Å
699	T	96.4	Very high	96.8	Very high	38 Å²	38	32.4 Å²	32.4	23%	0.233	18%	0.182	C	C	.	.	S	Bend	trans	-107.4	-33.5	-161.1	53.8	0	0	0	0	114.8	R678 R697	R678-T699 WeakPolarHBondContact CD-O 3.35Å; R678-T699 PolarHBondContact NE-O 2.94Å; R678-T699 VanDerWaalsContact NH1-CB 3.29Å; R678-T699 VanDerWaalsContact NH1-CG2 3.31Å; R697-T699 PolarHBondContact O-N 2.95Å; R697-T699 PolarHBondContact O-OG1 3Å
700	H	97	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.			trans	-109.5	59.5	-173.4	-65.4	66.7	0	0	0	111.1	P547 Y676 Y679 P695 H702	P547-H700 PolarHBondContact O-NE2 2.8Å; Y676-H700 HydrophobicContact CD1-CB 3.81Å; Y676-H700 AromaticContact CD1-CD2 3.8Å; Y676-H700 HydrophobicContact CE1-CB 3.97Å; Y676-H700 AromaticContact CE1-CD2 3.94Å; Y679-H700 AromaticContact CE2-CD2 3.58Å; Y679-H700 AromaticContact CE2-NE2 3.47Å; Y679-H700 WeakPolarHBondContact CE2-NE2 3.49Å; Y679-H700 AromaticContact CZ-NE2 3.85Å; Y679-H700 PolarHBondContact OH-CE1 2.94Å; Y679-H700 PolarHBondContact OH-NE2 2.89Å; P695-H700 VanDerWaalsContact CD-CE1 3.41Å; P695-H700 WeakPolarHBondContact CD-CE1 3.14Å; P695-H700 VanDerWaalsContact O-CB 3.28Å; P695-H700 WeakPolarHBondContact O-CB 3.39Å; H700-H702 PolarHBondContact O-N 3.06Å; H700-H702 VanDerWaalsContact O-N 3.1Å; H700-H702 PolarHBondContact O-ND1 3.28Å; H700-H702 VanDerWaalsContact O-ND1 3.08Å
701	L	96.4	Very high	96.7	Very high	61 Å²	61	34.7 Å²	34.7	32%	0.319	21%	0.207	S	C	.	.			trans	-58.9	117.7	167.3	-174.4	80.5	0	0	0	107.5	P649 H650 H651 N677	P649-L701 HydrophobicContact CB-CD2 4.28Å; P649-L701 HydrophobicContact CB-CG 4.31Å; H650-L701 WeakPolarHBondContact O-CA 3.39Å; H650-L701 WeakPolarHBondContact O-CD1 3.4Å; H651-L701 PolarHBondContact CE1-N 2.93Å; H651-L701 VanDerWaalsContact CE1-N 3.3Å; N677-L701 HydrophobicContact CB-CD2 4.39Å; N677-L701 PolarHBondContact N-O 3.44Å; N677-L701 PolarHBondContact OD1-O 3.1Å
702	H	97.2	Very high	96.7	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.8	-171.9	70	-81.4	0	0	0	112.2	P649 H650 D652 I674 R675 Y676 H700	P649-H702 CarbonylContact C-O 3.55Å; P649-H702 VanDerWaalsContact CA-O 3.26Å; P649-H702 WeakPolarHBondContact CA-O 3.32Å; H650-H702 AromaticContact CE1-CD2 3.93Å; H650-H702 AromaticContact CE1-CE1 3.99Å; H650-H702 AromaticContact CE1-NE2 3.47Å; H650-H702 PolarHBondContact CE1-NE2 3.07Å; H650-H702 PolarHBondContact N-O 3.03Å; H650-H702 PolarHBondContact ND1-O 2.71Å; H650-H702 AromaticContact NE2-CE1 3.74Å; H650-H702 AromaticContact NE2-NE2 3.45Å; H650-H702 PolarHBondContact NE2-NE2 3.3Å; H650-H702 PolarHBondContact O-N 2.78Å; H650-H702 VanDerWaalsContact O-N 3.07Å; D652-H702 IonicContact OD1-CE1 2.64Å; D652-H702 PolarHBondContact OD1-CE1 2.8Å; D652-H702 IonicContact OD1-NE2 3.33Å; D652-H702 IonicContact OD2-CE1 3.86Å; D652-H702 PolarHBondContact OD2-CE1 3.33Å; D652-H702 VanDerWaalsContact OD2-CE1 3.31Å; D652-H702 IonicContact OD2-NE2 2.91Å; I674-H702 HydrophobicContact CG2-CB 4.12Å; R675-H702 CarbonylContact O-C 3.56Å; R675-H702 WeakPolarHBondContact O-CA 3.25Å; R675-H702 WeakPolarHBondContact O-CB 3.43Å; Y676-H702 HydrophobicContact CD1-CB 3.66Å; Y676-H702 HydrophobicContact CE1-CB 3.89Å; Y676-H702 HydrophobicContact CG-CB 4.33Å; H700-H702 PolarHBondContact O-N 3.06Å; H700-H702 VanDerWaalsContact O-N 3.1Å; H700-H702 PolarHBondContact O-ND1 3.28Å; H700-H702 VanDerWaalsContact O-ND1 3.08Å
703	E	96.5	Very high	96.7	Very high	37 Å²	37	35.9 Å²	35.9	17%	0.173	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.5	177.3	64.3	-175.7	-173.1	0	0	111	L647 P649 I674 R675 L705	L647-E703 WeakPolarHBondContact O-CA 3.18Å; L647-E703 WeakPolarHBondContact O-CB 3.28Å; P649-E703 HydrophobicContact CG-CB 4.02Å; P649-E703 WeakPolarHBondContact CG-OE2 3.31Å; I674-E703 WeakPolarHBondContact CA-O 3.4Å; R675-E703 HydrophobicContact CB-CG 3.8Å; R675-E703 WeakPolarHBondContact CD-OE1 3.11Å; R675-E703 PolarHBondContact N-O 3.44Å; R675-E703 IonicContact NH1-OE1 2.69Å; R675-E703 PolarHBondContact NH1-OE1 3.1Å; R675-E703 PolarHBondContact O-N 2.96Å; E703-L705 HydrophobicContact CG-CD2 4.48Å
704	G	96.6	Very high	96.8	Very high	8 Å²	8	35.9 Å²	35.9	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	112.1	170.6	0	0	0	0	0	109.4	S646 L647	S646-G704 WeakPolarHBondContact CA-O 3.08Å; S646-G704 WeakPolarHBondContact CB-O 3.49Å; L647-G704 PolarHBondContact N-O 3.35Å; L647-G704 PolarHBondContact O-N 3.02Å
705	L	97.2	Very high	96.8	Very high	35 Å²	35	35.7 Å²	35.7	18%	0.183	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-64.6	149.2	-178.7	-65.8	176.7	0	0	0	111	G672 G673 R675 V684 E703 T707	G672-L705 WeakPolarHBondContact CA-O 3.49Å; G673-L705 PolarHBondContact O-N 2.8Å; G673-L705 VanDerWaalsContact O-N 3.1Å; R675-L705 HydrophobicContact CB-CD1 4.48Å; R675-L705 HydrophobicContact CB-CD2 3.95Å; R675-L705 HydrophobicContact CB-CG 4.24Å; V684-L705 HydrophobicContact CG1-CD1 4.01Å; E703-L705 HydrophobicContact CG-CD2 4.48Å; L705-T707 PolarHBondContact O-N 2.74Å
706	P	97	Very high	96.8	Very high	67 Å²	67	34.9 Å²	34.9	44%	0.435	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-63.3	124.9	-176	-22.6	32.9	0	0	0	113.9	P645 G672	P645-P706 CarbonylContact O-C 3.51Å; P645-P706 VanDerWaalsContact O-CA 3.28Å; P645-P706 WeakPolarHBondContact O-CA 3.37Å; G672-P706 PolarHBondContact N-O 2.86Å
707	T	97.6	Very high	97	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.9	162.7	-60.3	0	0	0	0	108.9	Y639 P645 Y669 K670 L705 G709 R712	Y639-T707 WeakPolarHBondContact CB-OG1 3.44Å; P645-T707 PolarHBondContact O-N 2.71Å; Y669-T707 HydrophobicContact CD2-CG2 4.44Å; K670-T707 CarbonylContact O-C 3.57Å; L705-T707 PolarHBondContact O-N 2.74Å; T707-G709 WeakPolarHBondContact CG2-O 3.5Å; T707-R712 HydrophobicContact CG2-CB 4.19Å
708	T	97	Very high	97.2	Very high	101 Å²	101	30.6 Å²	30.6	62%	0.62	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	-8.6	-172.3	55.8	0	0	0	0	113.9	K670	K670-T708 PolarHBondContact O-N 2.91Å; K670-T708 PolarHBondContact O-OG1 3.4Å
709	G	96.9	Very high	97.3	Very high	18 Å²	18	24.8 Å²	24.8	19%	0.186	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	154.7	173.7	0	0	0	0	0	111.3	Y669 K670 T707	Y669-G709 CarbonylContact C-O 3.45Å; Y669-G709 WeakPolarHBondContact CA-O 3.22Å; Y669-G709 WeakPolarHBondContact CB-O 3.39Å; K670-G709 PolarHBondContact N-O 3.18Å; K670-G709 PolarHBondContact O-N 2.93Å; T707-G709 WeakPolarHBondContact CG2-O 3.5Å
710	G	97.1	Very high	97.2	Very high	44 Å²	44	23.4 Å²	23.4	45%	0.454	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65.6	-153.4	-179.4	0	0	0	0	0	113.1	P641 D668	P641-G710 VanDerWaalsContact CD-O 3.26Å; P641-G710 WeakPolarHBondContact CD-O 3.32Å; D668-G710 WeakPolarHBondContact O-CA 3.3Å
711	T	97.6	Very high	96.9	Very high	30 Å²	30	26.4 Å²	26.4	18%	0.184	17%	0.165	C	C	.	.			trans	-131.5	125.6	-179.1	-56.3	0	0	0	0	110.1	R638 K640 N663 D668 Y713	R638-T711 HydrophobicContact CG-CG2 3.37Å; K640-T711 HydrophobicContact CD-CG2 4.22Å; K640-T711 VanDerWaalsContact CE-OG1 3.28Å; K640-T711 WeakPolarHBondContact CE-OG1 3.28Å; K640-T711 HydrophobicContact CG-CG2 3.66Å; K640-T711 WeakPolarHBondContact CG-OG1 3.42Å; N663-T711 PolarHBondContact ND2-O 2.93Å; D668-T711 PolarHBondContact O-N 3.33Å; T711-Y713 HydrophobicContact CG2-CD2 4.18Å; T711-Y713 HydrophobicContact CG2-CE1 4.07Å; T711-Y713 HydrophobicContact CG2-CE2 3.51Å; T711-Y713 VanDerWaalsContact CG2-CZ 3.42Å; T711-Y713 WeakPolarHBondContact CG2-OH 3.23Å
712	R	98	Very high	96.9	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	177	177.9	-177.4	179	-141.9	-1.2	109.9	R638 Y639 Y669 G673 T707 I714	R638-R712 WeakPolarHBondContact CA-O 3.15Å; Y639-R712 PolarHBondContact N-O 2.81Å; Y639-R712 PolarHBondContact O-N 3.33Å; Y669-R712 HydrophobicContact CD1-CB 3.81Å; Y669-R712 HydrophobicContact CD1-CG 4.04Å; Y669-R712 HydrophobicContact CD2-CB 3.76Å; Y669-R712 HydrophobicContact CD2-CG 4.03Å; Y669-R712 HydrophobicContact CE1-CB 4.11Å; Y669-R712 HydrophobicContact CE1-CG 3.8Å; Y669-R712 HydrophobicContact CE2-CB 4.08Å; Y669-R712 HydrophobicContact CE2-CG 3.79Å; Y669-R712 HydrophobicContact CG-CB 3.62Å; Y669-R712 HydrophobicContact CG-CG 4.15Å; G673-R712 VanDerWaalsContact N-CZ 3.33Å; G673-R712 VanDerWaalsContact N-NH1 3.15Å; G673-R712 PolarHBondContact O-NH1 2.9Å; T707-R712 HydrophobicContact CG2-CB 4.19Å; R712-I714 HydrophobicContact CG-CG2 4.46Å
713	Y	98.3	Very high	96.9	Very high	25 Å²	25	25.1 Å²	25.1	10%	0.098	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.7	172.3	-61	-84.3	0	0	0	110.9	I564 E568 W573 V636 V637 R638 L662 N663 T711	I564-Y713 HydrophobicContact CD1-CD2 3.77Å; I564-Y713 HydrophobicContact CD1-CG 4.08Å; I564-Y713 HydrophobicContact CG1-CD1 4.48Å; I564-Y713 HydrophobicContact CG1-CD2 4.01Å; I564-Y713 HydrophobicContact CG1-CG 3.94Å; I564-Y713 HydrophobicContact CG2-CD2 4.07Å; I564-Y713 HydrophobicContact CG2-CE1 4.41Å; I564-Y713 HydrophobicContact CG2-CE2 3.86Å; I564-Y713 HydrophobicContact CG2-CG 4.46Å; E568-Y713 HydrophobicContact CG-CE1 4.42Å; E568-Y713 WeakPolarHBondContact OE1-CE1 3.45Å; E568-Y713 PolarHBondContact OE1-OH 2.83Å; W573-Y713 HydrophobicContact CH2-CD1 4.09Å; W573-Y713 AromaticContact CH2-CE1 3.88Å; W573-Y713 HydrophobicContact CH2-CE1 3.88Å; W573-Y713 AromaticContact CZ2-CE1 3.96Å; W573-Y713 HydrophobicContact CZ2-CE1 3.96Å; V636-Y713 HydrophobicContact CG1-CD1 4.3Å; V637-Y713 WeakPolarHBondContact O-CA 3.48Å; R638-Y713 HydrophobicContact CB-CD1 3.98Å; R638-Y713 HydrophobicContact CB-CE1 3.84Å; R638-Y713 HydrophobicContact CG-CD1 3.94Å; R638-Y713 HydrophobicContact CG-CE1 3.44Å; R638-Y713 VanDerWaalsContact CG-CE1 3.44Å; L662-Y713 PolarHBondContact N-O 3.45Å; N663-Y713 WeakPolarHBondContact ND2-CD2 3.35Å; N663-Y713 PolarHBondContact OD1-N 3.01Å; T711-Y713 HydrophobicContact CG2-CD2 4.18Å; T711-Y713 HydrophobicContact CG2-CE1 4.07Å; T711-Y713 HydrophobicContact CG2-CE2 3.51Å; T711-Y713 VanDerWaalsContact CG2-CZ 3.42Å; T711-Y713 WeakPolarHBondContact CG2-OH 3.23Å
714	I	98.2	Very high	96.9	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.9	170.8	58.8	169.1	0	0	0	110	V636 V637 Y639 I660 R712 V716	V636-I714 CarbonylContact C-O 3.49Å; V636-I714 VanDerWaalsContact CA-O 3.31Å; V636-I714 WeakPolarHBondContact CA-O 3.46Å; V637-I714 HydrophobicContact CB-CD1 4.32Å; V637-I714 HydrophobicContact CB-CG1 3.81Å; V637-I714 HydrophobicContact CG2-CG1 4.35Å; V637-I714 PolarHBondContact N-O 3.39Å; V637-I714 PolarHBondContact O-N 3.39Å; V637-I714 VanDerWaalsContact O-N 3.1Å; Y639-I714 HydrophobicContact CE2-CD1 3.72Å; Y639-I714 HydrophobicContact CE2-CG1 4.08Å; I660-I714 CarbonylContact O-C 3.56Å; I660-I714 WeakPolarHBondContact O-CA 3.39Å; R712-I714 HydrophobicContact CG-CG2 4.46Å; I714-V716 HydrophobicContact CD1-CG2 3.62Å; I714-V716 HydrophobicContact CG1-CG2 3.98Å
715	F	98.2	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.6	171.8	-174.9	-161.9	0	0	0	109.6	F559 L563 M597 W602 W606 N634 F635 V636 I660 L662	F559-F715 HydrophobicContact CE1-CD1 4.43Å; F559-F715 HydrophobicContact CZ-CE1 4.46Å; L563-F715 HydrophobicContact CD2-CB 4.44Å; L563-F715 HydrophobicContact CD2-CD1 3.78Å; L563-F715 HydrophobicContact CD2-CE1 4.17Å; L563-F715 HydrophobicContact CD2-CG 4.13Å; M597-F715 HydrophobicContact CE-CE2 4.37Å; M597-F715 HydrophobicContact CG-CE2 3.63Å; M597-F715 HydrophobicContact CG-CZ 3.62Å; M597-F715 HydrophobicContact SD-CE2 3.84Å; M597-F715 HydrophobicContact SD-CZ 3.79Å; W602-F715 HydrophobicContact CZ3-CE1 4Å; W602-F715 HydrophobicContact CZ3-CZ 4.17Å; W606-F715 AromaticContact CD1-CZ 3.82Å; W606-F715 AromaticContact CD2-CE1 3.43Å; W606-F715 HydrophobicContact CD2-CE1 3.43Å; W606-F715 VanDerWaalsContact CD2-CE1 3.43Å; W606-F715 AromaticContact CD2-CZ 3.5Å; W606-F715 HydrophobicContact CD2-CZ 3.5Å; W606-F715 VanDerWaalsContact CD2-CZ 3.5Å; W606-F715 AromaticContact CE2-CE1 3.45Å; W606-F715 VanDerWaalsContact CE2-CE1 3.45Å; W606-F715 AromaticContact CE2-CZ 3.46Å; W606-F715 VanDerWaalsContact CE2-CZ 3.46Å; W606-F715 AromaticContact CE3-CE1 3.51Å; W606-F715 HydrophobicContact CE3-CE1 3.51Å; W606-F715 HydrophobicContact CE3-CZ 4.05Å; W606-F715 HydrophobicContact CG-CE1 4.14Å; W606-F715 AromaticContact CG-CZ 3.71Å; W606-F715 HydrophobicContact CG-CZ 3.71Å; W606-F715 HydrophobicContact CH2-CD1 4.05Å; W606-F715 AromaticContact CH2-CE1 3.63Å; W606-F715 HydrophobicContact CH2-CE1 3.63Å; W606-F715 HydrophobicContact CH2-CZ 4.47Å; W606-F715 HydrophobicContact CZ2-CD1 4.11Å; W606-F715 AromaticContact CZ2-CE1 3.56Å; W606-F715 HydrophobicContact CZ2-CE1 3.56Å; W606-F715 AromaticContact CZ2-CZ 3.98Å; W606-F715 HydrophobicContact CZ2-CZ 3.98Å; W606-F715 HydrophobicContact CZ3-CD1 4.27Å; W606-F715 AromaticContact CZ3-CE1 3.6Å; W606-F715 HydrophobicContact CZ3-CE1 3.6Å; W606-F715 HydrophobicContact CZ3-CZ 4.49Å; W606-F715 AromaticContact NE1-CZ 3.62Å; N634-F715 HydrophobicContact CB-CE2 4.26Å; F635-F715 WeakPolarHBondContact O-CD2 3.49Å; V636-F715 HydrophobicContact CG2-CB 4.27Å; V636-F715 HydrophobicContact CG2-CD2 3.97Å; V636-F715 HydrophobicContact CG2-CG 4.23Å; I660-F715 HydrophobicContact CB-CB 4.25Å; I660-F715 HydrophobicContact CD1-CD1 4.13Å; I660-F715 PolarHBondContact N-O 2.81Å; I660-F715 PolarHBondContact O-N 3.31Å; L662-F715 HydrophobicContact CD1-CB 4.03Å; L662-F715 HydrophobicContact CD2-CB 3.94Å; L662-F715 HydrophobicContact CG-CB 4.11Å
716	V	98	Very high	96.9	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.055	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.8	-174.7	-175.5	0	0	0	0	110	F635 V637 T657 I658 I714 F718	F635-V716 HydrophobicContact CD2-CB 4.35Å; F635-V716 HydrophobicContact CE1-CB 4.32Å; F635-V716 HydrophobicContact CE1-CG1 4.23Å; F635-V716 HydrophobicContact CE2-CB 3.88Å; F635-V716 HydrophobicContact CE2-CG1 4.22Å; F635-V716 HydrophobicContact CE2-CG2 4.42Å; F635-V716 HydrophobicContact CZ-CB 3.85Å; F635-V716 HydrophobicContact CZ-CG1 3.74Å; F635-V716 PolarHBondContact N-O 3.34Å; F635-V716 PolarHBondContact O-N 2.82Å; V637-V716 HydrophobicContact CG2-CG2 4.27Å; T657-V716 HydrophobicContact CG2-CG1 3.91Å; I658-V716 CarbonylContact O-C 3.59Å; I658-V716 WeakPolarHBondContact O-CA 3.24Å; I714-V716 HydrophobicContact CD1-CG2 3.62Å; I714-V716 HydrophobicContact CG1-CG2 3.98Å; V716-F718 HydrophobicContact CG1-CD1 3.97Å; V716-F718 HydrophobicContact CG1-CE1 3.56Å; V716-F718 HydrophobicContact CG1-CZ 4.45Å
717	T	98	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.7	174.7	-60.8	0	0	0	0	110.8	W606 L610 A631 M633 N634 T657 I658 V719	W606-T717 PolarHBondContact NE1-OG1 3.42Å; L610-T717 HydrophobicContact CD1-CG2 3.91Å; L610-T717 HydrophobicContact CD2-CG2 4.31Å; A631-T717 HydrophobicContact CB-CG2 3.47Å; A631-T717 VanDerWaalsContact CB-CG2 3.47Å; M633-T717 WeakPolarHBondContact O-CA 3.44Å; N634-T717 WeakPolarHBondContact OD1-CG2 3.41Å; T657-T717 WeakPolarHBondContact CA-O 3.49Å; I658-T717 PolarHBondContact N-O 3.08Å; I658-T717 PolarHBondContact O-N 2.78Å; T717-V719 HydrophobicContact CG2-CG2 3.69Å; T717-V719 PolarHBondContact O-N 3.08Å
718	F	96.9	Very high	96.9	Very high	25 Å²	25	23.4 Å²	23.4	11%	0.11	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	98.6	173.4	-67.3	-8.7	0	0	0	109.5	A631 M633 F635 D652 T657 V716	A631-F718 VanDerWaalsContact CB-O 3.27Å; A631-F718 WeakPolarHBondContact CB-O 3.29Å; M633-F718 HydrophobicContact CB-CB 4.1Å; M633-F718 HydrophobicContact CB-CD2 3.83Å; M633-F718 HydrophobicContact CB-CG 4.19Å; M633-F718 HydrophobicContact CG-CD2 4.14Å; M633-F718 PolarHBondContact O-N 3.46Å; F635-F718 HydrophobicContact CE1-CD2 4.45Å; F635-F718 HydrophobicContact CE1-CE1 4.47Å; F635-F718 HydrophobicContact CE1-CE2 4.26Å; F635-F718 HydrophobicContact CE1-CZ 4.27Å; F635-F718 HydrophobicContact CZ-CE1 4.17Å; F635-F718 HydrophobicContact CZ-CE2 4.21Å; F635-F718 AromaticContact CZ-CZ 3.87Å; F635-F718 HydrophobicContact CZ-CZ 3.87Å; D652-F718 HydrophobicContact CB-CD1 3.91Å; D652-F718 HydrophobicContact CB-CE1 3.62Å; D652-F718 HydrophobicContact CB-CE2 4.3Å; D652-F718 HydrophobicContact CB-CG 4.38Å; D652-F718 HydrophobicContact CB-CZ 3.83Å; D652-F718 WeakPolarHBondContact OD1-CE1 3.5Å; D652-F718 WeakPolarHBondContact OD1-CZ 3.17Å; D652-F718 WeakPolarHBondContact OD2-CE1 3.47Å; T657-F718 HydrophobicContact CG2-CD1 3.91Å; T657-F718 HydrophobicContact CG2-CE1 3.99Å; V716-F718 HydrophobicContact CG1-CD1 3.97Å; V716-F718 HydrophobicContact CG1-CE1 3.56Å; V716-F718 HydrophobicContact CG1-CZ 4.45Å
719	V	96.8	Very high	96.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.4	-173.7	-171.4	0	0	0	0	111	P629 S654 S655 Y656 I658 T717	P629-V719 HydrophobicContact CB-CG1 3.55Å; S654-V719 WeakPolarHBondContact CB-O 3.47Å; S655-V719 PolarHBondContact N-O 3.07Å; Y656-V719 HydrophobicContact CD1-CB 4.16Å; Y656-V719 HydrophobicContact CD1-CG1 4.34Å; Y656-V719 HydrophobicContact CD2-CB 4.16Å; Y656-V719 HydrophobicContact CD2-CG2 4.27Å; Y656-V719 HydrophobicContact CE1-CB 3.74Å; Y656-V719 HydrophobicContact CE1-CG1 3.51Å; Y656-V719 HydrophobicContact CE1-CG2 4.5Å; Y656-V719 HydrophobicContact CE2-CB 3.78Å; Y656-V719 HydrophobicContact CE2-CG1 4.15Å; Y656-V719 HydrophobicContact CE2-CG2 3.69Å; Y656-V719 HydrophobicContact CG-CB 4.37Å; Y656-V719 VanDerWaalsContact CZ-CG1 3.42Å; Y656-V719 PolarHBondContact N-O 2.84Å; Y656-V719 WeakPolarHBondContact O-CB 3.48Å; Y656-V719 PolarHBondContact O-N 2.72Å; Y656-V719 WeakPolarHBondContact OH-CG1 3.31Å; I658-V719 HydrophobicContact CD1-CG2 3.73Å; I658-V719 HydrophobicContact CG1-CG2 3.93Å; T717-V719 HydrophobicContact CG2-CG2 3.69Å; T717-V719 PolarHBondContact O-N 3.08Å
720	N	94.8	Very high	96.9	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.043	11%	0.114	C	C	.	.			trans	51	62.6	179.7	-58.3	-15.1	0	0	0	111.2	Y625 K628 P629 W630 S655	Y625-N720 VanDerWaalsContact OH-CB 3.29Å; Y625-N720 WeakPolarHBondContact OH-CB 3.34Å; Y625-N720 PolarHBondContact OH-ND2 3.29Å; K628-N720 PolarHBondContact O-OD1 3.11Å; P629-N720 WeakPolarHBondContact CA-OD1 3.32Å; W630-N720 PolarHBondContact N-OD1 3.31Å; W630-N720 PolarHBondContact O-N 2.88Å; W630-N720 PolarHBondContact O-OD1 3.27Å; S655-N720 WeakPolarHBondContact CB-O 3.34Å; S655-N720 PolarHBondContact N-O 2.95Å; S655-N720 PolarHBondContact OG-O 3.22Å
721	P	90.7	Very high	96.9	Very high	63 Å²	63	14.9 Å²	14.9	41%	0.409	8%	0.083	S	C	.	.			trans	-60.6	0	179.4	29.2	-37.3	0	0	0	113.3	W630 A653 R697	W630-P721 HydrophobicContact CH2-CG 3.63Å; W630-P721 HydrophobicContact CZ2-CG 3.68Å; W630-P721 HydrophobicContact CZ3-CG 4.27Å; A653-P721 WeakPolarHBondContact O-CA 3.28Å; A653-P721 WeakPolarHBondContact O-CB 3.26Å; R697-P721 PolarHBondContact NH1-OXT 2.83Å; R697-P721 PolarHBondContact NH2-OXT 3.19Å

Retrieved 721 of 721 residues in 489.1 ms (Link to these results)

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