A0A3Q0KDW7_SCHMA Loading...

NADPH--cytochrome P450 reductase

This enzyme is required for electron transfer from NADP to cytochrome P450.

AlphaFold DB , UniProt , Accession A0A3Q0KDW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 665 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	52.3	Low	75.3	Confident	198 Å²	198	120.6 Å²	120.6	98%	0.975	60%	0.6	S	S	*	*				0	102.5	0	-88.5	-179.9	-173.6	0	0	107.3	E5	M1-E5 WeakPolarHBondContact CA-OE2 3.21Å; M1-E5 WeakPolarHBondContact CG-OE2 3.37Å
2	D	73.8	Confident	75.6	Confident	124 Å²	124	117.4 Å²	117.4	66%	0.663	59%	0.592	S	S	*	*			trans	-61.2	152.1	172.9	-90.7	-35.3	0	0	0	109.9	F4 E5 F6	D2-F4 PolarHBondContact O-N 3.32Å; D2-E5 PolarHBondContact O-N 2.92Å; D2-F6 PolarHBondContact O-N 2.97Å
3	T	74	Confident	75.9	Confident	104 Å²	104	116.3 Å²	116.3	64%	0.638	59%	0.587	S	S	*	*	H	α-helix	trans	-47.7	-32.6	176.3	15.1	0	0	0	0	112.1	F6 Y7	T3-F6 PolarHBondContact O-N 3.37Å; T3-Y7 HydrophobicContact CG2-CE2 4.39Å; T3-Y7 WeakPolarHBondContact O-CD2 3.33Å; T3-Y7 PolarHBondContact O-N 3.1Å; T3-Y7 VanDerWaalsContact O-N 3.1Å
4	F	76.6	Confident	76.3	Confident	172 Å²	172	113.6 Å²	113.6	75%	0.754	58%	0.579	S	S	*	*	H	α-helix	trans	-66.4	-41.1	177.4	-156.4	-93.7	0	0	0	114	D2 F6 Y7 A8	D2-F4 PolarHBondContact O-N 3.32Å; F4-F6 VanDerWaalsContact C-N 3.32Å; F4-F6 PolarHBondContact O-N 3.39Å; F4-Y7 PolarHBondContact O-N 3Å; F4-A8 WeakPolarHBondContact O-CB 3.49Å; F4-A8 PolarHBondContact O-N 3.49Å
5	E	73	Confident	76.5	Confident	108 Å²	108	110.1 Å²	110.1	51%	0.505	57%	0.565	S	S	.	*	H	α-helix	trans	-66.2	-38.1	176.5	-68.8	-176.3	144.6	0	0	111	M1 D2 A8 V9	M1-E5 WeakPolarHBondContact CA-OE2 3.21Å; M1-E5 WeakPolarHBondContact CG-OE2 3.37Å; D2-E5 PolarHBondContact O-N 2.92Å; E5-A8 PolarHBondContact O-N 3.43Å; E5-V9 WeakPolarHBondContact O-CG2 2.98Å; E5-V9 PolarHBondContact O-N 2.99Å
6	F	80.4	Confident	76.7	Confident	129 Å²	129	110.3 Å²	110.3	57%	0.566	57%	0.567	S	S	*	*	H	α-helix	trans	-62.6	-46.5	175.8	-174.8	-98.3	0	0	0	111.6	D2 T3 F4 A8 V9 V10	D2-F6 PolarHBondContact O-N 2.97Å; T3-F6 PolarHBondContact O-N 3.37Å; F4-F6 VanDerWaalsContact C-N 3.32Å; F4-F6 PolarHBondContact O-N 3.39Å; F6-A8 PolarHBondContact O-N 2.99Å; F6-V9 PolarHBondContact O-N 2.88Å; F6-V10 HydrophobicContact CD1-CG2 4.13Å; F6-V10 HydrophobicContact CE1-CG2 3.79Å; F6-V10 HydrophobicContact CE2-CG2 4.38Å; F6-V10 HydrophobicContact CZ-CG2 3.93Å; F6-V10 WeakPolarHBondContact O-CB 3.27Å; F6-V10 VanDerWaalsContact O-CG2 3.27Å; F6-V10 WeakPolarHBondContact O-CG2 3.47Å; F6-V10 PolarHBondContact O-N 2.95Å
7	Y	80.2	Confident	76.9	Confident	161 Å²	161	112.4 Å²	112.4	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-65.4	-36.2	177.1	-73.9	-64	0	0	0	112.9	T3 F4 F11	T3-Y7 HydrophobicContact CG2-CE2 4.39Å; T3-Y7 WeakPolarHBondContact O-CD2 3.33Å; T3-Y7 PolarHBondContact O-N 3.1Å; T3-Y7 VanDerWaalsContact O-N 3.1Å; F4-Y7 PolarHBondContact O-N 3Å; Y7-F11 VanDerWaalsContact O-CB 3.29Å; Y7-F11 WeakPolarHBondContact O-CB 3.34Å; Y7-F11 PolarHBondContact O-N 3.38Å
8	A	76.5	Confident	77	Confident	48 Å²	48	110.2 Å²	110.2	40%	0.397	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-45	175.8	0	0	0	0	0	111.8	F4 E5 F6 F11 V12	F4-A8 WeakPolarHBondContact O-CB 3.49Å; F4-A8 PolarHBondContact O-N 3.49Å; E5-A8 PolarHBondContact O-N 3.43Å; F6-A8 PolarHBondContact O-N 2.99Å; A8-F11 PolarHBondContact O-N 3.34Å; A8-V12 WeakPolarHBondContact O-CG2 3.29Å; A8-V12 PolarHBondContact O-N 3.46Å
9	V	78	Confident	76.9	Confident	80 Å²	80	107.6 Å²	107.6	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-44.3	177	173	0	0	0	0	111	E5 F6 F11 V12 I13	E5-V9 WeakPolarHBondContact O-CG2 2.98Å; E5-V9 PolarHBondContact O-N 2.99Å; F6-V9 PolarHBondContact O-N 2.88Å; V9-F11 VanDerWaalsContact C-N 3.34Å; V9-F11 PolarHBondContact O-N 3.35Å; V9-V12 PolarHBondContact O-N 3.44Å; V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.46Å; V9-I13 VanDerWaalsContact O-CG1 3.27Å; V9-I13 WeakPolarHBondContact O-CG1 3.27Å; V9-I13 PolarHBondContact O-N 3.49Å
10	V	79.5	Confident	77	Confident	58 Å²	58	108.8 Å²	108.8	35%	0.352	55%	0.554	S	S	.	*	H	α-helix	trans	-61.7	-41.9	176.2	172.1	0	0	0	0	111.1	F6 I13 V14	F6-V10 HydrophobicContact CD1-CG2 4.13Å; F6-V10 HydrophobicContact CE1-CG2 3.79Å; F6-V10 HydrophobicContact CE2-CG2 4.38Å; F6-V10 HydrophobicContact CZ-CG2 3.93Å; F6-V10 WeakPolarHBondContact O-CB 3.27Å; F6-V10 VanDerWaalsContact O-CG2 3.27Å; F6-V10 WeakPolarHBondContact O-CG2 3.47Å; F6-V10 PolarHBondContact O-N 2.95Å; V10-I13 PolarHBondContact O-N 2.93Å; V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.22Å; V10-V14 PolarHBondContact O-N 3.38Å
11	F	83.6	Confident	77.1	Confident	145 Å²	145	107.3 Å²	107.3	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-44.2	177.8	-172.5	-97.4	0	0	0	112.1	Y7 A8 V9 I13 V14 V15	Y7-F11 VanDerWaalsContact O-CB 3.29Å; Y7-F11 WeakPolarHBondContact O-CB 3.34Å; Y7-F11 PolarHBondContact O-N 3.38Å; A8-F11 PolarHBondContact O-N 3.34Å; V9-F11 VanDerWaalsContact C-N 3.34Å; V9-F11 PolarHBondContact O-N 3.35Å; F11-I13 PolarHBondContact O-N 2.92Å; F11-V14 PolarHBondContact O-N 3.29Å; F11-V15 HydrophobicContact CD1-CG2 4.06Å; F11-V15 HydrophobicContact CE1-CG2 3.72Å; F11-V15 HydrophobicContact CE2-CG2 4.5Å; F11-V15 HydrophobicContact CZ-CG2 3.97Å; F11-V15 WeakPolarHBondContact O-CG2 3.33Å; F11-V15 PolarHBondContact O-N 3.48Å
12	V	79.1	Confident	78.1	Confident	82 Å²	82	105.3 Å²	105.3	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.5	172.3	0	0	0	0	111.1	A8 V9 V14 V15 L16	A8-V12 WeakPolarHBondContact O-CG2 3.29Å; A8-V12 PolarHBondContact O-N 3.46Å; V9-V12 PolarHBondContact O-N 3.44Å; V12-V14 PolarHBondContact O-N 2.97Å; V12-V15 PolarHBondContact O-N 3.36Å; V12-L16 HydrophobicContact CG1-CD1 3.86Å; V12-L16 HydrophobicContact CG1-CG 4.4Å; V12-L16 WeakPolarHBondContact O-CB 3.39Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.27Å; V12-L16 PolarHBondContact O-N 2.94Å
13	I	80.3	Confident	78	Confident	103 Å²	103	104.5 Å²	104.5	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-42.7	176.9	-68.4	168.9	0	0	0	111	V9 V10 F11 L16 Y17	V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.46Å; V9-I13 VanDerWaalsContact O-CG1 3.27Å; V9-I13 WeakPolarHBondContact O-CG1 3.27Å; V9-I13 PolarHBondContact O-N 3.49Å; V10-I13 PolarHBondContact O-N 2.93Å; F11-I13 PolarHBondContact O-N 2.92Å; I13-L16 PolarHBondContact O-N 3.46Å; I13-Y17 VanDerWaalsContact O-CB 3.25Å; I13-Y17 WeakPolarHBondContact O-CB 3.27Å; I13-Y17 PolarHBondContact O-N 3.41Å
14	V	81.4	Confident	78	Confident	78 Å²	78	105.7 Å²	105.7	47%	0.473	52%	0.522	S	S	.	.	H	α-helix	trans	-66.7	-40.3	178.2	171.9	0	0	0	0	111.6	V10 F11 V12 Y17 T18	V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.22Å; V10-V14 PolarHBondContact O-N 3.38Å; F11-V14 PolarHBondContact O-N 3.29Å; V12-V14 PolarHBondContact O-N 2.97Å; V14-Y17 PolarHBondContact O-N 3.1Å; V14-T18 HydrophobicContact CG1-CG2 4.34Å; V14-T18 WeakPolarHBondContact O-CB 3.31Å; V14-T18 VanDerWaalsContact O-CG2 3.27Å; V14-T18 WeakPolarHBondContact O-CG2 3.42Å; V14-T18 PolarHBondContact O-N 3.44Å; V14-T18 PolarHBondContact O-OG1 2.75Å
15	V	79.3	Confident	77.7	Confident	62 Å²	62	106.2 Å²	106.2	38%	0.376	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-42.2	176.5	172	0	0	0	0	111.2	F11 V12 T18 S19	F11-V15 HydrophobicContact CD1-CG2 4.06Å; F11-V15 HydrophobicContact CE1-CG2 3.72Å; F11-V15 HydrophobicContact CE2-CG2 4.5Å; F11-V15 HydrophobicContact CZ-CG2 3.97Å; F11-V15 WeakPolarHBondContact O-CG2 3.33Å; F11-V15 PolarHBondContact O-N 3.48Å; V12-V15 PolarHBondContact O-N 3.36Å; V15-T18 WeakPolarHBondContact CA-OG1 3.49Å; V15-T18 PolarHBondContact O-OG1 2.95Å; V15-T18 VanDerWaalsContact O-OG1 3.08Å; V15-S19 VanDerWaalsContact O-CB 3.22Å; V15-S19 WeakPolarHBondContact O-CB 3.25Å; V15-S19 PolarHBondContact O-N 3.08Å; V15-S19 PolarHBondContact O-OG 2.85Å
16	L	78.6	Confident	77.5	Confident	113 Å²	113	106 Å²	106	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-65.6	-43.8	175.7	-72.5	171.3	0	0	0	111.5	V12 I13 S19 F20	V12-L16 HydrophobicContact CG1-CD1 3.86Å; V12-L16 HydrophobicContact CG1-CG 4.4Å; V12-L16 WeakPolarHBondContact O-CB 3.39Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.27Å; V12-L16 PolarHBondContact O-N 2.94Å; I13-L16 PolarHBondContact O-N 3.46Å; L16-S19 PolarHBondContact O-N 2.82Å; L16-F20 VanDerWaalsContact O-CB 3.3Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 PolarHBondContact O-N 2.91Å
17	Y	80.8	Confident	76.6	Confident	145 Å²	145	104.6 Å²	104.6	57%	0.569	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-45.8	178.5	-174.2	-98.8	0	0	0	111.9	I13 V14 F20 H21	I13-Y17 VanDerWaalsContact O-CB 3.25Å; I13-Y17 WeakPolarHBondContact O-CB 3.27Å; I13-Y17 PolarHBondContact O-N 3.41Å; V14-Y17 PolarHBondContact O-N 3.1Å; Y17-F20 PolarHBondContact O-N 3.1Å; Y17-H21 AromaticContact CE1-CD2 3.65Å; Y17-H21 AromaticContact CZ-CD2 3.51Å; Y17-H21 AromaticContact CZ-NE2 3.85Å; Y17-H21 WeakPolarHBondContact O-CB 3.17Å; Y17-H21 PolarHBondContact O-N 2.9Å; Y17-H21 PolarHBondContact OH-NE2 2.96Å
18	T	79.4	Confident	75.8	Confident	73 Å²	73	102 Å²	102	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-67.8	-36.3	178.1	53.3	0	0	0	0	112.4	V14 V15 K22	V14-T18 HydrophobicContact CG1-CG2 4.34Å; V14-T18 WeakPolarHBondContact O-CB 3.31Å; V14-T18 VanDerWaalsContact O-CG2 3.27Å; V14-T18 WeakPolarHBondContact O-CG2 3.42Å; V14-T18 PolarHBondContact O-N 3.44Å; V14-T18 PolarHBondContact O-OG1 2.75Å; V15-T18 WeakPolarHBondContact CA-OG1 3.49Å; V15-T18 PolarHBondContact O-OG1 2.95Å; V15-T18 VanDerWaalsContact O-OG1 3.08Å; T18-K22 WeakPolarHBondContact O-CB 3.36Å; T18-K22 PolarHBondContact O-N 2.97Å
19	S	74.7	Confident	75	Confident	61 Å²	61	106.8 Å²	106.8	43%	0.427	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-44.7	174.6	-61.6	0	0	0	0	111.5	V15 L16 K22 L23	V15-S19 VanDerWaalsContact O-CB 3.22Å; V15-S19 WeakPolarHBondContact O-CB 3.25Å; V15-S19 PolarHBondContact O-N 3.08Å; V15-S19 PolarHBondContact O-OG 2.85Å; L16-S19 PolarHBondContact O-N 2.82Å; S19-K22 PolarHBondContact O-N 3.4Å; S19-L23 PolarHBondContact O-N 3.35Å
20	F	79.5	Confident	73.6	Confident	132 Å²	132	109.5 Å²	109.5	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-62.9	-42.8	175.6	-174.6	-99.9	0	0	0	111.7	L16 Y17 K22 L23 K24	L16-F20 VanDerWaalsContact O-CB 3.3Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 PolarHBondContact O-N 2.91Å; Y17-F20 PolarHBondContact O-N 3.1Å; F20-K22 PolarHBondContact O-N 2.86Å; F20-L23 PolarHBondContact O-N 3.38Å; F20-K24 HydrophobicContact CE1-CD 4.32Å; F20-K24 WeakPolarHBondContact O-CB 3.44Å; F20-K24 PolarHBondContact O-N 3.34Å
21	H	77.3	Confident	71.9	Confident	78 Å²	78	111 Å²	111	36%	0.361	54%	0.537	S	S	.	.	H	α-helix	trans	-67	-35.4	176.5	-116	-72.3	0	0	0	113.1	Y17 R25	Y17-H21 AromaticContact CE1-CD2 3.65Å; Y17-H21 AromaticContact CZ-CD2 3.51Å; Y17-H21 AromaticContact CZ-NE2 3.85Å; Y17-H21 WeakPolarHBondContact O-CB 3.17Å; Y17-H21 PolarHBondContact O-N 2.9Å; Y17-H21 PolarHBondContact OH-NE2 2.96Å; H21-R25 WeakPolarHBondContact O-CB 3.3Å; H21-R25 WeakPolarHBondContact O-CG 3.45Å; H21-R25 PolarHBondContact O-N 3.42Å
22	K	74.9	Confident	70	Confident	156 Å²	156	109.5 Å²	109.5	68%	0.678	53%	0.531	S	S	*	.	H	α-helix	trans	-64.1	-46.3	170.6	-102.7	-179.9	176.1	175.4	0	111.1	T18 S19 F20 R25 I26	T18-K22 WeakPolarHBondContact O-CB 3.36Å; T18-K22 PolarHBondContact O-N 2.97Å; S19-K22 PolarHBondContact O-N 3.4Å; F20-K22 PolarHBondContact O-N 2.86Å; K22-R25 PolarHBondContact O-N 2.98Å; K22-I26 VanDerWaalsContact O-CG1 3.29Å; K22-I26 WeakPolarHBondContact O-CG1 3.44Å; K22-I26 PolarHBondContact O-N 3.39Å
23	L	71.4	Confident	68.2	Low	107 Å²	107	114.8 Å²	114.8	56%	0.56	54%	0.542	S	S	*	.	H	α-helix	trans	-60.3	-46.7	177.1	-128.3	93.2	0	0	0	111	S19 F20 R25 I26 L27	S19-L23 PolarHBondContact O-N 3.35Å; F20-L23 PolarHBondContact O-N 3.38Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 2.91Å; L23-I26 PolarHBondContact O-N 3.16Å; L23-I26 VanDerWaalsContact O-N 3.12Å; L23-L27 HydrophobicContact CD2-CD1 4.37Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 PolarHBondContact O-N 2.9Å
24	K	73.5	Confident	66.2	Low	128 Å²	128	113.5 Å²	113.5	56%	0.557	54%	0.543	S	S	*	.	H	α-helix	trans	-61.6	-39.2	177.8	-161.5	176	-176	179.2	0	111.6	F20 H28	F20-K24 HydrophobicContact CE1-CD 4.32Å; F20-K24 WeakPolarHBondContact O-CB 3.44Å; F20-K24 PolarHBondContact O-N 3.34Å; K24-H28 VanDerWaalsContact O-CB 3.25Å; K24-H28 WeakPolarHBondContact O-CB 3.35Å; K24-H28 PolarHBondContact O-N 3.26Å
25	R	70.3	Confident	64.1	Low	184 Å²	184	117.5 Å²	117.5	69%	0.694	56%	0.556	S	S	*	*	H	α-helix	trans	-66.8	-37	173.1	-83.7	-177.4	170.1	178.3	-1.1	113	H21 K22 L23 K29	H21-R25 WeakPolarHBondContact O-CB 3.3Å; H21-R25 WeakPolarHBondContact O-CG 3.45Å; H21-R25 PolarHBondContact O-N 3.42Å; K22-R25 PolarHBondContact O-N 2.98Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 2.91Å; R25-K29 WeakPolarHBondContact O-CB 3.42Å; R25-K29 WeakPolarHBondContact O-CG 3.33Å; R25-K29 PolarHBondContact O-N 3.38Å
26	I	68.5	Low	62	Low	104 Å²	104	119 Å²	119	53%	0.533	57%	0.569	S	S	.	*	H	α-helix	trans	-68.2	-46.6	176.3	-67.7	165.3	0	0	0	110	K22 L23 H28 K29 H30	K22-I26 VanDerWaalsContact O-CG1 3.29Å; K22-I26 WeakPolarHBondContact O-CG1 3.44Å; K22-I26 PolarHBondContact O-N 3.39Å; L23-I26 PolarHBondContact O-N 3.16Å; L23-I26 VanDerWaalsContact O-N 3.12Å; I26-H28 PolarHBondContact O-N 3.46Å; I26-K29 PolarHBondContact O-N 2.97Å; I26-H30 PolarHBondContact O-N 3.34Å
27	L	61.9	Low	59.8	Low	98 Å²	98	120.8 Å²	120.8	51%	0.513	58%	0.578	S	S	.	*	H	α-helix	trans	-59.7	-44.4	173.8	-96.9	134.3	0	0	0	111.8	L23 K29 H30 L31	L23-L27 HydrophobicContact CD2-CD1 4.37Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 PolarHBondContact O-N 2.9Å; L27-K29 PolarHBondContact O-N 3.24Å; L27-H30 PolarHBondContact O-N 2.84Å; L27-L31 WeakPolarHBondContact O-CB 3.38Å; L27-L31 PolarHBondContact O-N 2.59Å
28	H	62.7	Low	57.2	Low	108 Å²	108	117.9 Å²	117.9	50%	0.5	59%	0.592	S	S	.	*	H	α-helix	trans	-67.3	-36.1	178.2	-147.9	68.1	0	0	0	112.1	K24 I26 L31 Q32	K24-H28 VanDerWaalsContact O-CB 3.25Å; K24-H28 WeakPolarHBondContact O-CB 3.35Å; K24-H28 PolarHBondContact O-N 3.26Å; I26-H28 PolarHBondContact O-N 3.46Å; H28-L31 PolarHBondContact O-N 3.24Å; H28-Q32 PolarHBondContact CD2-NE2 3.24Å; H28-Q32 PolarHBondContact NE2-NE2 3.36Å; H28-Q32 VanDerWaalsContact O-CB 3.29Å; H28-Q32 WeakPolarHBondContact O-CB 3.36Å; H28-Q32 VanDerWaalsContact O-CG 3.32Å; H28-Q32 WeakPolarHBondContact O-CG 3.41Å; H28-Q32 PolarHBondContact O-N 3.11Å
29	K	59.6	Low	54.8	Low	148 Å²	148	118.5 Å²	118.5	64%	0.643	60%	0.604	S	S	*	*	H	α-helix	trans	-68.4	-31.6	171.4	-80.8	-174.4	176.4	-174.2	0	112.9	R25 I26 L27 R33	R25-K29 WeakPolarHBondContact O-CB 3.42Å; R25-K29 WeakPolarHBondContact O-CG 3.33Å; R25-K29 PolarHBondContact O-N 3.38Å; I26-K29 PolarHBondContact O-N 2.97Å; L27-K29 PolarHBondContact O-N 3.24Å; K29-R33 WeakPolarHBondContact O-CB 3.45Å; K29-R33 WeakPolarHBondContact O-CG 3.21Å; K29-R33 PolarHBondContact O-N 3Å; K29-R33 VanDerWaalsContact O-N 3.1Å
30	H	50.4	Low	52.3	Low	137 Å²	137	125.5 Å²	125.5	63%	0.634	63%	0.63	S	S	*	*	H	α-helix	trans	-70.2	-44.3	171.5	-97.4	-8.3	0	0	0	111.8	I26 L27 R33 S34	I26-H30 PolarHBondContact O-N 3.34Å; L27-H30 PolarHBondContact O-N 2.84Å; H30-R33 PolarHBondContact O-N 3.11Å; H30-S34 PolarHBondContact O-N 2.82Å; H30-S34 VanDerWaalsContact O-N 3.09Å; H30-S34 PolarHBondContact O-OG 3.42Å
31	L	42.9	Very low	49.7	Very low	90 Å²	90	124.9 Å²	124.9	47%	0.471	64%	0.641	S	S	.	*	H	α-helix	trans	-66.4	-35.9	176.5	-85.7	150.6	0	0	0	113.3	L27 H28 S34 H35	L27-L31 WeakPolarHBondContact O-CB 3.38Å; L27-L31 PolarHBondContact O-N 2.59Å; H28-L31 PolarHBondContact O-N 3.24Å; L31-S34 VanDerWaalsContact C-OG 3.3Å; L31-S34 VanDerWaalsContact CA-OG 3.32Å; L31-S34 WeakPolarHBondContact CA-OG 3.43Å; L31-S34 PolarHBondContact O-N 2.87Å; L31-S34 PolarHBondContact O-OG 2.85Å; L31-H35 PolarHBondContact O-N 3.45Å
32	Q	43.6	Very low	47.2	Very low	113 Å²	113	130.3 Å²	130.3	53%	0.528	66%	0.664	S	S	.	*	H	α-helix	trans	-75.3	-33.3	175.6	-75.8	-179.1	-21.7	0	0	112.3	H28 S34 H35 S36	H28-Q32 PolarHBondContact CD2-NE2 3.24Å; H28-Q32 PolarHBondContact NE2-NE2 3.36Å; H28-Q32 VanDerWaalsContact O-CB 3.29Å; H28-Q32 WeakPolarHBondContact O-CB 3.36Å; H28-Q32 VanDerWaalsContact O-CG 3.32Å; H28-Q32 WeakPolarHBondContact O-CG 3.41Å; H28-Q32 PolarHBondContact O-N 3.11Å; Q32-S34 VanDerWaalsContact C-N 3.3Å; Q32-S34 PolarHBondContact O-N 3.01Å; Q32-H35 PolarHBondContact O-N 3.05Å; Q32-S36 PolarHBondContact O-N 3.26Å
33	R	41.1	Very low	44.8	Very low	193 Å²	193	128.9 Å²	128.9	73%	0.728	67%	0.67	S	S	*	*	H	α-helix	trans	-68.8	-26.7	172	-84.7	-178	168.4	-180	-4.1	113	K29 H30 H35	K29-R33 WeakPolarHBondContact O-CB 3.45Å; K29-R33 WeakPolarHBondContact O-CG 3.21Å; K29-R33 PolarHBondContact O-N 3Å; K29-R33 VanDerWaalsContact O-N 3.1Å; H30-R33 PolarHBondContact O-N 3.11Å; R33-H35 VanDerWaalsContact C-N 3.33Å
34	S	39.4	Very low	42.8	Very low	76 Å²	76	132.3 Å²	132.3	53%	0.531	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	-12.5	172.3	51.5	0	0	0	0	114.2	H30 L31 Q32	H30-S34 PolarHBondContact O-N 2.82Å; H30-S34 VanDerWaalsContact O-N 3.09Å; H30-S34 PolarHBondContact O-OG 3.42Å; L31-S34 VanDerWaalsContact C-OG 3.3Å; L31-S34 VanDerWaalsContact CA-OG 3.32Å; L31-S34 WeakPolarHBondContact CA-OG 3.43Å; L31-S34 PolarHBondContact O-N 2.87Å; L31-S34 PolarHBondContact O-OG 2.85Å; Q32-S34 VanDerWaalsContact C-N 3.3Å; Q32-S34 PolarHBondContact O-N 3.01Å
35	H	36.6	Very low	40.6	Very low	162 Å²	162	134.8 Å²	134.8	75%	0.75	69%	0.689	S	S	*	*	S	Bend	trans	-108.3	4.3	-177.7	-80.9	-27.2	0	0	0	115.3	L31 Q32 R33	L31-H35 PolarHBondContact O-N 3.45Å; Q32-H35 PolarHBondContact O-N 3.05Å; R33-H35 VanDerWaalsContact C-N 3.33Å
36	S	34.5	Very low	39.1	Very low	94 Å²	94	128.8 Å²	128.8	66%	0.657	68%	0.675	S	S	*	*	S	Bend	trans	-113	23.6	178.6	65.4	0	0	0	0	114.7	Q32	Q32-S36 PolarHBondContact O-N 3.26Å
37	I	32.8	Very low	38.4	Very low	150 Å²	150	127.9 Å²	127.9	77%	0.769	67%	0.671	S	S	*	*			trans	-115.9	89.4	169.2	-57.6	176.4	0	0	0	107.4	A39	I37-A39 PolarHBondContact O-N 3.34Å
38	G	26.3	Very low	38.1	Very low	84 Å²	84	125.6 Å²	125.6	87%	0.866	66%	0.658	S	S	*	*			trans	-78.3	102.2	175.7	0	0	0	0	0	111.2
39	A	28.8	Very low	37.8	Very low	85 Å²	85	126.6 Å²	126.6	70%	0.702	66%	0.663	S	S	*	*	S	Bend	trans	-164	117.1	145.2	0	0	0	0	0	105.7	I37 C41	I37-A39 PolarHBondContact O-N 3.34Å; A39-C41 PolarHBondContact O-N 2.86Å
40	E	23	Very low	37.9	Very low	208 Å²	208	123 Å²	123	97%	0.972	65%	0.651	S	S	*	*			trans	-47.9	106.2	-173.3	-68	174.7	148.6	0	0	112.5
41	C	24.5	Very low	38.5	Very low	120 Å²	120	117 Å²	117	81%	0.811	62%	0.623	S	S	*	*			trans	-111.6	110.3	163.9	-144.6	0	0	0	0	106.5	A39	A39-C41 PolarHBondContact O-N 2.86Å
42	K	24.3	Very low	39.6	Very low	192 Å²	192	115 Å²	115	84%	0.835	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-47.2	141.6	171.4	-71.1	177.9	176.9	177.8	0	109.1	Q44	K42-Q44 PolarHBondContact O-N 3.47Å; K42-Q44 VanDerWaalsContact O-N 3.08Å
43	P	24.7	Very low	40.7	Very low	126 Å²	126	111.1 Å²	111.1	82%	0.818	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-56.4	121.6	179.7	23.8	-31.1	0	0	0	108.6	R45	P43-R45 PolarHBondContact O-N 2.97Å; P43-R45 VanDerWaalsContact O-N 3.1Å
44	Q	28.7	Very low	41.9	Very low	179 Å²	179	104.3 Å²	104.3	84%	0.836	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-54.6	118.8	168.6	-83.6	178.2	-51.9	0	0	106.8	K42 S46	K42-Q44 PolarHBondContact O-N 3.47Å; K42-Q44 VanDerWaalsContact O-N 3.08Å; Q44-S46 PolarHBondContact O-N 3.04Å
45	R	29	Very low	43.3	Very low	180 Å²	180	101 Å²	101	68%	0.679	56%	0.556	S	S	*	*			trans	-45.8	133.6	161.7	-84.2	-180	171.3	167.9	-2.4	107.4	P43 N47	P43-R45 PolarHBondContact O-N 2.97Å; P43-R45 VanDerWaalsContact O-N 3.1Å; R45-N47 PolarHBondContact O-N 3.21Å
46	S	37.7	Very low	44.7	Very low	58 Å²	58	98.7 Å²	98.7	41%	0.406	55%	0.549	S	S	.	.			trans	-56.6	129.1	179.9	74.5	0	0	0	0	108.4	Q44 H48 E49	Q44-S46 PolarHBondContact O-N 3.04Å; S46-H48 PolarHBondContact O-N 2.77Å; S46-E49 PolarHBondContact O-N 3.45Å; S46-E49 VanDerWaalsContact O-N 3.11Å
47	N	54.4	Low	46.1	Very low	84 Å²	84	104.8 Å²	104.8	45%	0.449	56%	0.558	S	S	.	*	H	α-helix	trans	-51.7	-18.2	178.7	-75.6	-12.2	0	0	0	112.7	R45 L51	R45-N47 PolarHBondContact O-N 3.21Å; N47-L51 VanDerWaalsContact O-CB 3.32Å; N47-L51 WeakPolarHBondContact O-CB 3.43Å; N47-L51 PolarHBondContact O-N 3.03Å; N47-L51 VanDerWaalsContact O-N 3.11Å
48	H	56.3	Low	47.5	Very low	51 Å²	51	98.4 Å²	98.4	24%	0.236	53%	0.527	C	S	.	.	H	α-helix	trans	-66.7	-47.8	177.8	-59.7	-53.1	0	0	0	113.9	S46 L51 L52 N100 I103	S46-H48 PolarHBondContact O-N 2.77Å; H48-L51 PolarHBondContact O-N 2.88Å; H48-L52 PolarHBondContact O-N 3.45Å; H48-L52 VanDerWaalsContact O-N 3.13Å; H48-N100 PolarHBondContact CE1-ND2 3.5Å; H48-N100 PolarHBondContact CE1-OD1 3.09Å; H48-N100 PolarHBondContact NE2-ND2 3.42Å; H48-N100 VanDerWaalsContact NE2-ND2 3.19Å; H48-I103 WeakPolarHBondContact ND1-CD1 3.33Å
49	E	54.8	Low	49.8	Very low	128 Å²	128	98.5 Å²	98.5	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-68	-40.6	-179.2	-72.9	-175.6	164.3	0	0	111.1	S46 L51 A53	S46-E49 PolarHBondContact O-N 3.45Å; S46-E49 VanDerWaalsContact O-N 3.11Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.31Å; E49-A53 WeakPolarHBondContact O-CB 3.47Å; E49-A53 PolarHBondContact O-N 3.22Å
50	D	61.6	Low	52.1	Low	74 Å²	74	94.9 Å²	94.9	40%	0.396	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-37.9	177.7	-74.5	-26.2	0	0	0	111	V54	D50-V54 WeakPolarHBondContact O-CB 3.46Å; D50-V54 WeakPolarHBondContact O-CG2 3.37Å; D50-V54 PolarHBondContact O-N 3.14Å
51	L	64.4	Low	54.9	Low	10 Å²	10	89.4 Å²	89.4	5%	0.052	46%	0.456	C	S	.	.	H	α-helix	trans	-64.5	-51.9	177.1	179.5	130.2	0	0	0	112.7	N47 H48 E49 A53 V54 M55 L92 M94 I103	N47-L51 VanDerWaalsContact O-CB 3.32Å; N47-L51 WeakPolarHBondContact O-CB 3.43Å; N47-L51 PolarHBondContact O-N 3.03Å; N47-L51 VanDerWaalsContact O-N 3.11Å; H48-L51 PolarHBondContact O-N 2.88Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.31Å; L51-A53 VanDerWaalsContact C-N 3.28Å; L51-A53 PolarHBondContact O-N 3.45Å; L51-V54 PolarHBondContact O-N 3.36Å; L51-M55 HydrophobicContact CD2-CG 4.47Å; L51-M55 HydrophobicContact CD2-SD 3.79Å; L51-M55 HydrophobicContact CG-CG 4.46Å; L51-M55 HydrophobicContact CG-SD 4.3Å; L51-M55 WeakPolarHBondContact O-CB 3.33Å; L51-M55 WeakPolarHBondContact O-CG 3.5Å; L51-M55 PolarHBondContact O-N 3.26Å; L51-L92 HydrophobicContact CD1-CD2 3.86Å; L51-L92 HydrophobicContact CG-CD2 4.29Å; L51-M94 HydrophobicContact CD1-CE 3.2Å; L51-M94 HydrophobicContact CD1-SD 3.06Å; L51-M94 WeakPolarHBondContact CD1-SD 3.41Å; L51-M94 HydrophobicContact CG-SD 4.48Å; L51-I103 HydrophobicContact CD2-CG1 4.34Å; L51-I103 HydrophobicContact CD2-CG2 4Å
52	L	65.9	Low	58.2	Low	49 Å²	49	83.7 Å²	83.7	26%	0.257	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-37.9	179.2	-70.7	177.8	0	0	0	111.2	H48 M55 N56 N106	H48-L52 PolarHBondContact O-N 3.45Å; H48-L52 VanDerWaalsContact O-N 3.13Å; L52-M55 PolarHBondContact O-N 2.82Å; L52-N56 VanDerWaalsContact O-CB 3.29Å; L52-N56 WeakPolarHBondContact O-CB 3.39Å; L52-N56 VanDerWaalsContact O-CG 3.31Å; L52-N56 PolarHBondContact O-N 3.3Å; L52-N56 PolarHBondContact O-ND2 3.22Å; L52-N106 HydrophobicContact CD1-CB 4.5Å; L52-N106 HydrophobicContact CD2-CB 3.94Å
53	A	66.8	Low	61.4	Low	31 Å²	31	74.7 Å²	74.7	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-43	173.7	0	0	0	0	0	111.7	E49 L51 R57	E49-A53 WeakPolarHBondContact O-CB 3.47Å; E49-A53 PolarHBondContact O-N 3.22Å; L51-A53 VanDerWaalsContact C-N 3.28Å; L51-A53 PolarHBondContact O-N 3.45Å; A53-R57 WeakPolarHBondContact O-CB 3.4Å; A53-R57 WeakPolarHBondContact O-CD 3.07Å; A53-R57 WeakPolarHBondContact O-CG 3.49Å; A53-R57 PolarHBondContact O-N 2.77Å
54	V	65.9	Low	64.8	Low	50 Å²	50	68.7 Å²	68.7	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-50.2	175.4	167.9	0	0	0	0	110	D50 L51 N56 R57 S58 I60 L92	D50-V54 WeakPolarHBondContact O-CB 3.46Å; D50-V54 WeakPolarHBondContact O-CG2 3.37Å; D50-V54 PolarHBondContact O-N 3.14Å; L51-V54 PolarHBondContact O-N 3.36Å; V54-N56 PolarHBondContact O-N 3.34Å; V54-R57 PolarHBondContact O-N 2.82Å; V54-S58 WeakPolarHBondContact O-CB 3.22Å; V54-S58 PolarHBondContact O-N 3.37Å; V54-S58 PolarHBondContact O-OG 2.83Å; V54-I60 HydrophobicContact CG1-CD1 4.16Å; V54-L92 HydrophobicContact CG1-CD1 4.43Å
55	M	67.6	Low	68	Low	5 Å²	5	60.1 Å²	60.1	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-46.4	-178.8	-71.8	-169.3	63.7	0	0	112.4	L51 L52 S59 I60 L107 L110	L51-M55 HydrophobicContact CD2-CG 4.47Å; L51-M55 HydrophobicContact CD2-SD 3.79Å; L51-M55 HydrophobicContact CG-CG 4.46Å; L51-M55 HydrophobicContact CG-SD 4.3Å; L51-M55 WeakPolarHBondContact O-CB 3.33Å; L51-M55 WeakPolarHBondContact O-CG 3.5Å; L51-M55 PolarHBondContact O-N 3.26Å; L52-M55 PolarHBondContact O-N 2.82Å; M55-S59 PolarHBondContact O-N 3.27Å; M55-I60 HydrophobicContact CE-CG2 4.28Å; M55-I60 HydrophobicContact CG-CB 4.48Å; M55-I60 HydrophobicContact CG-CG2 4.38Å; M55-I60 PolarHBondContact O-N 3.49Å; M55-L107 HydrophobicContact CE-CD2 3.19Å; M55-L107 HydrophobicContact SD-CD2 3.58Å; M55-L107 VanDerWaalsContact SD-CD2 3.58Å; M55-L110 HydrophobicContact CE-CD1 4.42Å
56	N	67.5	Low	71.2	Confident	114 Å²	114	52.4 Å²	52.4	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-67.3	-37.8	178.1	-74.2	-21.2	0	0	0	112.6	L52 V54	L52-N56 VanDerWaalsContact O-CB 3.29Å; L52-N56 WeakPolarHBondContact O-CB 3.39Å; L52-N56 VanDerWaalsContact O-CG 3.31Å; L52-N56 PolarHBondContact O-N 3.3Å; L52-N56 PolarHBondContact O-ND2 3.22Å; V54-N56 PolarHBondContact O-N 3.34Å
57	R	63.4	Low	73.9	Confident	222 Å²	222	49.7 Å²	49.7	84%	0.838	25%	0.251	S	S	*	.	H	α-helix	trans	-72.9	-28.3	-179.4	-75.6	173.4	-175.8	-173.9	2.7	113.6	A53 V54	A53-R57 WeakPolarHBondContact O-CB 3.4Å; A53-R57 WeakPolarHBondContact O-CD 3.07Å; A53-R57 WeakPolarHBondContact O-CG 3.49Å; A53-R57 PolarHBondContact O-N 2.77Å; V54-R57 PolarHBondContact O-N 2.82Å
58	S	62.8	Low	75.6	Confident	16 Å²	16	46.5 Å²	46.5	11%	0.112	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	13.7	-166.5	60.7	0	0	0	0	114.3	V54 I60	V54-S58 WeakPolarHBondContact O-CB 3.22Å; V54-S58 PolarHBondContact O-N 3.37Å; V54-S58 PolarHBondContact O-OG 2.83Å; S58-I60 PolarHBondContact O-N 2.89Å; S58-I60 VanDerWaalsContact O-N 3.11Å; S58-I60 WeakPolarHBondContact OG-CD1 3.28Å; S58-I60 WeakPolarHBondContact OG-CG1 3.34Å
59	S	73.6	Confident	76.8	Confident	87 Å²	87	44.6 Å²	44.6	61%	0.608	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.7	-180	62.8	0	0	0	0	113.6	M55 K61	M55-S59 PolarHBondContact O-N 3.27Å; S59-K61 PolarHBondContact O-N 2.94Å
60	I	76.8	Confident	77.9	Confident	9 Å²	9	40.8 Å²	40.8	5%	0.046	21%	0.212	C	C	.	.			trans	-73	117.4	-178.6	-71.3	171.8	0	0	0	108.8	V54 M55 S58 V62 R90 L92	V54-I60 HydrophobicContact CG1-CD1 4.16Å; M55-I60 HydrophobicContact CE-CG2 4.28Å; M55-I60 HydrophobicContact CG-CB 4.48Å; M55-I60 HydrophobicContact CG-CG2 4.38Å; M55-I60 PolarHBondContact O-N 3.49Å; S58-I60 PolarHBondContact O-N 2.89Å; S58-I60 VanDerWaalsContact O-N 3.11Å; S58-I60 WeakPolarHBondContact OG-CD1 3.28Å; S58-I60 WeakPolarHBondContact OG-CG1 3.34Å; I60-V62 WeakPolarHBondContact CG2-O 3.24Å; I60-R90 HydrophobicContact CG1-CB 4.34Å; I60-L92 HydrophobicContact CD1-CB 4.13Å; I60-L92 HydrophobicContact CD1-CD1 4.39Å; I60-L92 HydrophobicContact CG2-CB 4.12Å
61	K	83.2	Confident	78.8	Confident	93 Å²	93	38.2 Å²	38.2	40%	0.404	20%	0.204	S	C	.	.			trans	-104.8	-9.2	176	-61.5	-172.4	-179.1	177.7	0	113.4	S59 C113 V114 F213	S59-K61 PolarHBondContact O-N 2.94Å; K61-C113 WeakPolarHBondContact O-CA 3.39Å; K61-V114 PolarHBondContact O-N 2.94Å; K61-F213 HydrophobicContact CB-CD1 4.48Å; K61-F213 HydrophobicContact CB-CE1 3.54Å; K61-F213 HydrophobicContact CB-CZ 3.6Å; K61-F213 HydrophobicContact CD-CD1 3.73Å; K61-F213 HydrophobicContact CD-CE1 3.46Å; K61-F213 VanDerWaalsContact CD-CE1 3.46Å; K61-F213 HydrophobicContact CD-CZ 4.35Å; K61-F213 HydrophobicContact CG-CE1 4.15Å
62	V	92.4	Very high	79.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.4	-176.9	-178	0	0	0	0	110.7	I60 I64 L84 V89 N91 L92 V114 L116 L209 F213	I60-V62 WeakPolarHBondContact CG2-O 3.24Å; V62-I64 HydrophobicContact CG1-CG1 4.2Å; V62-L84 HydrophobicContact CG1-CD1 4.31Å; V62-V89 HydrophobicContact CB-CG1 4.24Å; V62-V89 HydrophobicContact CG2-CG1 3.5Å; V62-V89 VanDerWaalsContact CG2-CG1 3.5Å; V62-N91 HydrophobicContact CB-CB 3.89Å; V62-N91 HydrophobicContact CG1-CB 4.18Å; V62-N91 CarbonylContact O-C 3.26Å; V62-N91 WeakPolarHBondContact O-CA 3.47Å; V62-N91 WeakPolarHBondContact O-CB 3.39Å; V62-L92 PolarHBondContact O-N 2.84Å; V62-V114 WeakPolarHBondContact CA-O 3.44Å; V62-V114 HydrophobicContact CG2-CB 4.29Å; V62-L116 HydrophobicContact CG1-CD1 3.48Å; V62-L116 VanDerWaalsContact CG1-CD1 3.48Å; V62-L116 HydrophobicContact CG1-CG 3.96Å; V62-L209 HydrophobicContact CG2-CD2 4.47Å; V62-F213 HydrophobicContact CG2-CE2 3.49Å; V62-F213 VanDerWaalsContact CG2-CE2 3.49Å; V62-F213 HydrophobicContact CG2-CZ 3.68Å
63	S	92.6	Very high	81.2	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.4	173.1	-56.4	0	0	0	0	109.6	V114 A115 L116	S63-V114 PolarHBondContact N-O 3.39Å; S63-A115 CarbonylContact O-C 3.52Å; S63-A115 WeakPolarHBondContact O-CA 3.49Å; S63-L116 PolarHBondContact O-N 3.26Å
64	I	95.5	Very high	82.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.3	-179.6	-55.2	165.1	0	0	0	108.5	V62 A77 L80 L84 N91 L92 V93 M94 L116 V118	V62-I64 HydrophobicContact CG1-CG1 4.2Å; I64-A77 HydrophobicContact CG2-CB 3.74Å; I64-L80 HydrophobicContact CD1-CB 4.39Å; I64-L80 HydrophobicContact CD1-CD2 4.1Å; I64-L80 HydrophobicContact CD1-CG 3.94Å; I64-L80 HydrophobicContact CG1-CD2 4.31Å; I64-L80 HydrophobicContact CG2-CD2 4.05Å; I64-L84 HydrophobicContact CD1-CD1 4.22Å; I64-N91 HydrophobicContact CD1-CB 4.18Å; I64-L92 PolarHBondContact N-O 3.12Å; I64-V93 HydrophobicContact CB-CG2 4.2Å; I64-V93 HydrophobicContact CD1-CG2 3.95Å; I64-V93 CarbonylContact O-C 3.55Å; I64-V93 WeakPolarHBondContact O-CA 3.42Å; I64-M94 PolarHBondContact O-N 2.94Å; I64-L116 CarbonylContact C-O 3.59Å; I64-L116 WeakPolarHBondContact CA-O 3.45Å; I64-L116 HydrophobicContact CG1-CB 4.16Å; I64-L116 HydrophobicContact CG1-CD1 3.92Å; I64-L116 HydrophobicContact CG1-CG 4.49Å; I64-L116 HydrophobicContact CG2-CB 4.46Å; I64-V118 HydrophobicContact CG2-CG2 4.48Å
65	F	95.8	Very high	83.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.8	177.9	-57.5	-76.4	0	0	0	111	M94 L96 T99 I103 L104 L107 A115 L116 F117 V118	F65-M94 CarbonylContact C-O 3.56Å; F65-M94 WeakPolarHBondContact CA-O 3.35Å; F65-M94 HydrophobicContact CD1-CB 4.01Å; F65-M94 HydrophobicContact CE1-CB 4.27Å; F65-M94 HydrophobicContact CE1-SD 3.97Å; F65-L96 HydrophobicContact CB-CD2 3.57Å; F65-L96 HydrophobicContact CB-CG 3.98Å; F65-L96 HydrophobicContact CD1-CD2 4.24Å; F65-L96 HydrophobicContact CG-CD2 4.06Å; F65-T99 HydrophobicContact CD1-CG2 3.99Å; F65-T99 WeakPolarHBondContact CD1-OG1 3.29Å; F65-T99 HydrophobicContact CE1-CG2 3.6Å; F65-T99 WeakPolarHBondContact CE1-OG1 3.43Å; F65-T99 HydrophobicContact CZ-CG2 4.11Å; F65-I103 HydrophobicContact CZ-CG2 4.36Å; F65-L104 HydrophobicContact CE2-CD2 4.2Å; F65-L104 HydrophobicContact CZ-CD2 4.43Å; F65-L107 HydrophobicContact CE2-CD1 4.15Å; F65-L107 HydrophobicContact CZ-CD1 3.99Å; F65-A115 HydrophobicContact CD2-CB 4.45Å; F65-A115 HydrophobicContact CE2-CB 4.02Å; F65-L116 PolarHBondContact N-O 3.29Å; F65-F117 HydrophobicContact CB-CD1 3.85Å; F65-F117 HydrophobicContact CB-CE1 4.06Å; F65-F117 HydrophobicContact CD2-CD1 4.16Å; F65-F117 AromaticContact CD2-CE1 3.7Å; F65-F117 HydrophobicContact CD2-CE1 3.7Å; F65-F117 HydrophobicContact CD2-CE2 4.5Å; F65-F117 AromaticContact CD2-CZ 3.89Å; F65-F117 HydrophobicContact CD2-CZ 3.89Å; F65-F117 HydrophobicContact CE2-CZ 4.37Å; F65-F117 HydrophobicContact CG-CD1 4.36Å; F65-F117 HydrophobicContact CG-CE1 4.09Å; F65-F117 WeakPolarHBondContact O-CA 3.25Å; F65-V118 PolarHBondContact O-N 3.04Å
66	Y	95.9	Very high	84.4	Confident	18 Å²	18	38.1 Å²	38.1	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.4	171.9	65.3	-100.2	0	0	0	113.7	K74 A77 V93 M94 D95 L96 V118	Y66-K74 HydrophobicContact CD1-CB 4.46Å; Y66-K74 HydrophobicContact CD1-CG 4.38Å; Y66-K74 HydrophobicContact CD2-CB 3.77Å; Y66-K74 HydrophobicContact CD2-CG 4.24Å; Y66-K74 HydrophobicContact CE1-CB 4.43Å; Y66-K74 HydrophobicContact CE1-CG 3.93Å; Y66-K74 HydrophobicContact CE2-CB 3.77Å; Y66-K74 HydrophobicContact CE2-CD 3.98Å; Y66-K74 HydrophobicContact CE2-CG 3.81Å; Y66-K74 HydrophobicContact CG-CB 4.14Å; Y66-A77 HydrophobicContact CD1-CB 3.83Å; Y66-A77 HydrophobicContact CG-CB 4.18Å; Y66-V93 HydrophobicContact CD1-CG1 3.9Å; Y66-V93 HydrophobicContact CE1-CG1 3.99Å; Y66-M94 WeakPolarHBondContact CD1-O 3.25Å; Y66-M94 VanDerWaalsContact CE1-C 3.46Å; Y66-M94 WeakPolarHBondContact CE1-O 3.18Å; Y66-M94 PolarHBondContact N-O 3.41Å; Y66-D95 HydrophobicContact CE1-CB 4.48Å; Y66-D95 HydrophobicContact CE2-CB 3.8Å; Y66-D95 WeakPolarHBondContact CE2-OD2 3.48Å; Y66-L96 WeakPolarHBondContact O-CG 3.39Å; Y66-L96 PolarHBondContact O-N 3.48Å; Y66-V118 WeakPolarHBondContact CA-O 3.42Å
67	G	94.6	Very high	85.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	104.1	168.4	0	0	0	0	0	108.8	A73 V118 A120 T128	G67-A73 WeakPolarHBondContact O-CB 3.35Å; G67-V118 PolarHBondContact N-O 3.12Å; G67-A120 PolarHBondContact O-N 2.75Å; G67-T128 VanDerWaalsContact C-OG1 3.26Å
68	S	90.6	Very high	86.8	Confident	17 Å²	17	23.4 Å²	23.4	12%	0.119	13%	0.132	C	C	.	.			trans	-134.4	136.4	-170.2	-165.1	0	0	0	0	111.4	G71 K74 T128 S130	S68-G71 VanDerWaalsContact OG-C 3.31Å; S68-G71 WeakPolarHBondContact OG-CA 3.34Å; S68-G71 PolarHBondContact OG-N 2.97Å; S68-K74 PolarHBondContact OG-N 3.28Å; S68-T128 PolarHBondContact N-OG1 3.27Å; S68-S130 PolarHBondContact N-OG 3.31Å; S68-S130 PolarHBondContact O-OG 3.49Å
69	Q	81.6	Confident	88	Confident	12 Å²	12	24.3 Å²	24.3	6%	0.056	14%	0.135	C	C	.	.	S	Bend	trans	-101.1	-48.2	171.9	-164.8	71.6	21.9	0	0	111.3	Y122 T128 D129 H499	Q69-Y122 HydrophobicContact CB-CD1 3.93Å; Q69-Y122 HydrophobicContact CB-CD2 3.76Å; Q69-Y122 HydrophobicContact CB-CE1 3.59Å; Q69-Y122 HydrophobicContact CB-CE2 3.42Å; Q69-Y122 VanDerWaalsContact CB-CE2 3.42Å; Q69-Y122 HydrophobicContact CB-CG 4.03Å; Q69-Y122 HydrophobicContact CG-CD1 3.75Å; Q69-Y122 HydrophobicContact CG-CD2 4.49Å; Q69-Y122 HydrophobicContact CG-CE1 3.47Å; Q69-Y122 VanDerWaalsContact CG-CE1 3.47Å; Q69-Y122 HydrophobicContact CG-CE2 4.28Å; Q69-Y122 HydrophobicContact CG-CG 4.28Å; Q69-T128 HydrophobicContact CB-CG2 4Å; Q69-D129 PolarHBondContact NE2-OD2 3.19Å; Q69-H499 PolarHBondContact NE2-CE1 3.01Å
70	T	76.5	Confident	88.9	Confident	47 Å²	47	20.1 Å²	20.1	29%	0.288	11%	0.106	S	C	.	.	S	Bend	trans	-109.6	19.3	-176.9	60.8	0	0	0	0	113.3	T72 Y122 K438	T70-T72 PolarHBondContact O-N 3.01Å; T70-Y122 WeakPolarHBondContact CG2-OH 3.42Å; T70-Y122 PolarHBondContact OG1-OH 3.41Å; T70-K438 WeakPolarHBondContact O-CD 3.17Å; T70-K438 WeakPolarHBondContact O-CE 3.46Å; T70-K438 WeakPolarHBondContact O-CG 3.34Å; T70-K438 PolarHBondContact O-NZ 2.87Å; T70-K438 VanDerWaalsContact O-NZ 3.11Å; T70-K438 PolarHBondContact OG1-NZ 3.45Å
71	G	82.2	Confident	89.5	Confident	21 Å²	21	19.9 Å²	19.9	22%	0.216	11%	0.106	C	C	.	.	S	Bend	trans	86.6	-14.3	172.8	0	0	0	0	0	116.4	S68 A73 K74 K75	S68-G71 VanDerWaalsContact OG-C 3.31Å; S68-G71 WeakPolarHBondContact OG-CA 3.34Å; S68-G71 PolarHBondContact OG-N 2.97Å; G71-A73 PolarHBondContact O-N 3.21Å; G71-K74 WeakPolarHBondContact O-CB 3.49Å; G71-K74 PolarHBondContact O-N 3.19Å; G71-K75 PolarHBondContact O-N 3Å
72	T	87.2	Confident	89.6	Confident	40 Å²	40	17 Å²	17	25%	0.245	9%	0.093	C	C	.	.	H	α-helix	trans	-59.6	-50.9	-177.8	-49.9	0	0	0	0	112.4	T70 K74 K75 F76 L155 L194 K438	T70-T72 PolarHBondContact O-N 3.01Å; T72-K74 VanDerWaalsContact C-N 3.32Å; T72-K74 PolarHBondContact O-N 3.41Å; T72-K75 PolarHBondContact O-N 2.92Å; T72-F76 HydrophobicContact CG2-CE2 4.43Å; T72-F76 HydrophobicContact CG2-CZ 4.31Å; T72-F76 PolarHBondContact O-N 2.71Å; T72-L155 HydrophobicContact CG2-CD2 3.71Å; T72-L194 HydrophobicContact CG2-CD2 4.2Å; T72-K438 PolarHBondContact OG1-NZ 2.87Å
73	A	92.7	Very high	89.3	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-36	178.8	0	0	0	0	0	112.3	G67 G71 F76 A77 V118 A120 L155	G67-A73 WeakPolarHBondContact O-CB 3.35Å; G71-A73 PolarHBondContact O-N 3.21Å; A73-F76 PolarHBondContact O-N 3.47Å; A73-A77 WeakPolarHBondContact O-CB 3.45Å; A73-A77 PolarHBondContact O-N 3.37Å; A73-V118 HydrophobicContact CB-CG1 4.11Å; A73-V118 WeakPolarHBondContact O-CG1 3.31Å; A73-A120 HydrophobicContact CB-CB 4.5Å; A73-L155 HydrophobicContact CB-CD1 3.93Å; A73-L155 HydrophobicContact CB-CD2 4.04Å
74	K	90.6	Very high	89.1	Confident	44 Å²	44	17.7 Å²	17.7	19%	0.191	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-48.6	173.1	177.1	175.3	-177.6	178.4	0	111	Y66 S68 G71 T72 F76 A77 I78 E258	Y66-K74 HydrophobicContact CD1-CB 4.46Å; Y66-K74 HydrophobicContact CD1-CG 4.38Å; Y66-K74 HydrophobicContact CD2-CB 3.77Å; Y66-K74 HydrophobicContact CD2-CG 4.24Å; Y66-K74 HydrophobicContact CE1-CB 4.43Å; Y66-K74 HydrophobicContact CE1-CG 3.93Å; Y66-K74 HydrophobicContact CE2-CB 3.77Å; Y66-K74 HydrophobicContact CE2-CD 3.98Å; Y66-K74 HydrophobicContact CE2-CG 3.81Å; Y66-K74 HydrophobicContact CG-CB 4.14Å; S68-K74 PolarHBondContact OG-N 3.28Å; G71-K74 WeakPolarHBondContact O-CB 3.49Å; G71-K74 PolarHBondContact O-N 3.19Å; T72-K74 VanDerWaalsContact C-N 3.32Å; T72-K74 PolarHBondContact O-N 3.41Å; K74-F76 PolarHBondContact O-N 2.86Å; K74-A77 PolarHBondContact O-N 2.98Å; K74-I78 HydrophobicContact CD-CD1 4.45Å; K74-I78 HydrophobicContact CG-CD1 3.78Å; K74-I78 HydrophobicContact CG-CG1 4.47Å; K74-I78 WeakPolarHBondContact O-CB 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.5Å; K74-I78 PolarHBondContact O-N 2.96Å; K74-E258 PolarHBondContact NZ-O 2.77Å
75	K	85.2	Confident	88.6	Confident	42 Å²	42	20 Å²	20	18%	0.183	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-46.9	177.1	178.1	172.1	177.5	165.9	0	111.5	G71 T72 A77 I78 N79 L433 N435	G71-K75 PolarHBondContact O-N 3Å; T72-K75 PolarHBondContact O-N 2.92Å; K75-A77 PolarHBondContact O-N 3.38Å; K75-I78 PolarHBondContact O-N 3.22Å; K75-N79 WeakPolarHBondContact O-CB 3.31Å; K75-N79 PolarHBondContact O-N 3.32Å; K75-N79 PolarHBondContact O-OD1 3.4Å; K75-L433 PolarHBondContact NZ-O 2.98Å; K75-N435 VanDerWaalsContact CD-OD1 3.24Å; K75-N435 WeakPolarHBondContact CD-OD1 3.2Å; K75-N435 WeakPolarHBondContact CE-OD1 3.44Å; K75-N435 PolarHBondContact NZ-OD1 3.34Å
76	F	91.9	Very high	87.9	Confident	15 Å²	15	21.1 Å²	21.1	7%	0.066	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-44.6	177	-78.1	5.1	0	0	0	112.2	T72 A73 K74 N79 L80 V118 F153 L155 L194 E195 F198	T72-F76 HydrophobicContact CG2-CE2 4.43Å; T72-F76 HydrophobicContact CG2-CZ 4.31Å; T72-F76 PolarHBondContact O-N 2.71Å; A73-F76 PolarHBondContact O-N 3.47Å; K74-F76 PolarHBondContact O-N 2.86Å; F76-N79 PolarHBondContact O-N 3.02Å; F76-L80 WeakPolarHBondContact O-CB 3.48Å; F76-L80 PolarHBondContact O-N 3.48Å; F76-V118 HydrophobicContact CB-CG1 3.83Å; F76-F153 HydrophobicContact CD2-CE1 4.09Å; F76-F153 HydrophobicContact CE2-CE1 4.16Å; F76-L155 HydrophobicContact CD2-CD2 4.03Å; F76-L155 HydrophobicContact CE2-CD2 4.16Å; F76-L194 HydrophobicContact CE2-CD1 4.29Å; F76-L194 HydrophobicContact CE2-CD2 4.35Å; F76-L194 HydrophobicContact CE2-CG 3.93Å; F76-L194 HydrophobicContact CZ-CG 4.17Å; F76-E195 HydrophobicContact CZ-CB 4.49Å; F76-F198 HydrophobicContact CB-CD1 4.34Å; F76-F198 HydrophobicContact CB-CD2 4.07Å; F76-F198 HydrophobicContact CB-CE1 3.96Å; F76-F198 HydrophobicContact CB-CE2 3.67Å; F76-F198 HydrophobicContact CB-CG 4.39Å; F76-F198 HydrophobicContact CB-CZ 3.61Å; F76-F198 AromaticContact CD1-CD1 3.99Å; F76-F198 HydrophobicContact CD1-CD1 3.99Å; F76-F198 HydrophobicContact CD1-CE1 4.14Å; F76-F198 HydrophobicContact CD1-CG 4.36Å; F76-F198 HydrophobicContact CD2-CB 3.89Å; F76-F198 AromaticContact CD2-CD1 3.97Å; F76-F198 HydrophobicContact CD2-CD1 3.97Å; F76-F198 AromaticContact CD2-CD2 3.57Å; F76-F198 HydrophobicContact CD2-CD2 3.57Å; F76-F198 HydrophobicContact CD2-CE1 4.44Å; F76-F198 HydrophobicContact CD2-CE2 4.08Å; F76-F198 AromaticContact CD2-CG 3.5Å; F76-F198 HydrophobicContact CD2-CG 3.5Å; F76-F198 HydrophobicContact CD2-CZ 4.49Å; F76-F198 HydrophobicContact CE1-CD1 4.25Å; F76-F198 HydrophobicContact CE2-CB 3.6Å; F76-F198 HydrophobicContact CE2-CD1 4.24Å; F76-F198 HydrophobicContact CE2-CD2 4.19Å; F76-F198 AromaticContact CE2-CG 3.74Å; F76-F198 HydrophobicContact CE2-CG 3.74Å; F76-F198 AromaticContact CG-CD1 3.84Å; F76-F198 HydrophobicContact CG-CD1 3.84Å; F76-F198 AromaticContact CG-CD2 3.96Å; F76-F198 HydrophobicContact CG-CD2 3.96Å; F76-F198 AromaticContact CG-CE1 3.94Å; F76-F198 HydrophobicContact CG-CE1 3.94Å; F76-F198 HydrophobicContact CG-CE2 4.05Å; F76-F198 AromaticContact CG-CG 3.85Å; F76-F198 HydrophobicContact CG-CG 3.85Å; F76-F198 HydrophobicContact CG-CZ 4.05Å; F76-F198 HydrophobicContact CZ-CB 4.09Å; F76-F198 HydrophobicContact CZ-CD1 4.37Å; F76-F198 HydrophobicContact CZ-CG 4.27Å; F76-F198 VanDerWaalsContact O-CZ 3.22Å; F76-F198 WeakPolarHBondContact O-CZ 3.41Å
77	A	93.6	Very high	87.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-42.8	176.8	0	0	0	0	0	113.3	I64 Y66 A73 K74 K75 L80 G81 V93 V118	I64-A77 HydrophobicContact CG2-CB 3.74Å; Y66-A77 HydrophobicContact CD1-CB 3.83Å; Y66-A77 HydrophobicContact CG-CB 4.18Å; A73-A77 WeakPolarHBondContact O-CB 3.45Å; A73-A77 PolarHBondContact O-N 3.37Å; K74-A77 PolarHBondContact O-N 2.98Å; K75-A77 PolarHBondContact O-N 3.38Å; A77-L80 WeakPolarHBondContact O-CB 3.49Å; A77-L80 PolarHBondContact O-N 2.97Å; A77-G81 PolarHBondContact O-N 3.09Å; A77-V93 HydrophobicContact CB-CG1 3.96Å; A77-V118 HydrophobicContact CB-CB 4.22Å; A77-V118 HydrophobicContact CB-CG2 4.23Å
78	I	88.4	Confident	86.5	Confident	27 Å²	27	22.1 Å²	22.1	14%	0.138	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-45.6	176	-71.5	172.5	0	0	0	110.6	K74 K75 L80 G81 H82 V93 M230 T343	K74-I78 HydrophobicContact CD-CD1 4.45Å; K74-I78 HydrophobicContact CG-CD1 3.78Å; K74-I78 HydrophobicContact CG-CG1 4.47Å; K74-I78 WeakPolarHBondContact O-CB 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.5Å; K74-I78 PolarHBondContact O-N 2.96Å; K75-I78 PolarHBondContact O-N 3.22Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.34Å; I78-G81 PolarHBondContact O-N 3.49Å; I78-H82 PolarHBondContact O-N 3.08Å; I78-V93 HydrophobicContact CG1-CG1 4.03Å; I78-M230 HydrophobicContact CG2-CE 3.2Å; I78-M230 HydrophobicContact CG2-SD 4.42Å; I78-T343 HydrophobicContact CD1-CG2 4.4Å
79	N	87.6	Confident	86.3	Confident	35 Å²	35	21.6 Å²	21.6	19%	0.187	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-36.5	177.2	-71.7	1.3	0	0	0	112.2	K75 F76 H83	K75-N79 WeakPolarHBondContact O-CB 3.31Å; K75-N79 PolarHBondContact O-N 3.32Å; K75-N79 PolarHBondContact O-OD1 3.4Å; F76-N79 PolarHBondContact O-N 3.02Å; N79-H83 VanDerWaalsContact O-CB 3.24Å; N79-H83 WeakPolarHBondContact O-CB 3.24Å; N79-H83 PolarHBondContact O-N 3.5Å
80	L	91.9	Very high	86.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-49.4	172.8	176.9	63.6	0	0	0	110.7	I64 F76 A77 I78 H82 H83 L84 L116 V118 F198 W201 R202 L205	I64-L80 HydrophobicContact CD1-CB 4.39Å; I64-L80 HydrophobicContact CD1-CD2 4.1Å; I64-L80 HydrophobicContact CD1-CG 3.94Å; I64-L80 HydrophobicContact CG1-CD2 4.31Å; I64-L80 HydrophobicContact CG2-CD2 4.05Å; F76-L80 WeakPolarHBondContact O-CB 3.48Å; F76-L80 PolarHBondContact O-N 3.48Å; A77-L80 WeakPolarHBondContact O-CB 3.49Å; A77-L80 PolarHBondContact O-N 2.97Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.34Å; L80-H82 PolarHBondContact O-N 3.04Å; L80-H83 PolarHBondContact O-N 3Å; L80-L84 HydrophobicContact CD1-CD1 4.01Å; L80-L84 HydrophobicContact CD1-CG 4.02Å; L80-L84 HydrophobicContact CG-CD1 4.05Å; L80-L84 HydrophobicContact CG-CG 4.37Å; L80-L84 WeakPolarHBondContact O-CB 3.43Å; L80-L84 WeakPolarHBondContact O-CG 3.31Å; L80-L84 PolarHBondContact O-N 3.26Å; L80-L116 HydrophobicContact CD2-CD1 4.02Å; L80-V118 HydrophobicContact CD2-CG2 4.43Å; L80-F198 HydrophobicContact CB-CZ 4.19Å; L80-W201 HydrophobicContact CD1-CZ3 4.5Å; L80-W201 HydrophobicContact CD2-CH2 3.98Å; L80-W201 HydrophobicContact CD2-CZ3 3.8Å; L80-R202 HydrophobicContact CD1-CB 4.45Å; L80-R202 HydrophobicContact CD1-CG 3.72Å; L80-L205 HydrophobicContact CD1-CD2 4.17Å; L80-L205 HydrophobicContact CD2-CD2 4.3Å
81	G	90.5	Very high	87.1	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-44.9	-179.7	0	0	0	0	0	112.6	A77 I78 H83 L84 H85 N91	A77-G81 PolarHBondContact O-N 3.09Å; I78-G81 PolarHBondContact O-N 3.49Å; G81-H83 PolarHBondContact O-N 3.43Å; G81-L84 PolarHBondContact O-N 3.34Å; G81-H85 WeakPolarHBondContact O-CB 3.19Å; G81-H85 PolarHBondContact O-N 2.88Å; G81-N91 WeakPolarHBondContact CA-OD1 3.46Å; G81-N91 PolarHBondContact O-ND2 2.86Å; G81-N91 PolarHBondContact O-OD1 3.09Å
82	H	85.2	Confident	87.5	Confident	32 Å²	32	21.8 Å²	21.8	15%	0.148	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-42.1	175.3	178.3	-108.6	0	0	0	112.6	I78 L80 H85 N86 K228 M230	I78-H82 PolarHBondContact O-N 3.08Å; L80-H82 PolarHBondContact O-N 3.04Å; H82-H85 PolarHBondContact O-N 3.33Å; H82-N86 PolarHBondContact CE1-ND2 2.8Å; H82-N86 PolarHBondContact NE2-ND2 3.11Å; H82-N86 PolarHBondContact O-N 2.9Å; H82-N86 VanDerWaalsContact O-N 3.16Å; H82-N86 PolarHBondContact O-ND2 3.25Å; H82-N86 VanDerWaalsContact O-ND2 3.15Å; H82-K228 PolarHBondContact CE1-O 3.07Å; H82-M230 HydrophobicContact CB-CE 3.89Å; H82-M230 HydrophobicContact CB-CG 3.98Å; H82-M230 HydrophobicContact CB-SD 3.96Å; H82-M230 VanDerWaalsContact CD2-CG 3.44Å; H82-M230 WeakPolarHBondContact CD2-CG 3.46Å; H82-M230 WeakPolarHBondContact ND1-CG 3.47Å
83	H	85.9	Confident	87.6	Confident	17 Å²	17	21 Å²	21	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-47.7	175.3	175.2	75.9	0	0	0	111.9	N79 L80 G81 N86 C87 T206 Y222	N79-H83 VanDerWaalsContact O-CB 3.24Å; N79-H83 WeakPolarHBondContact O-CB 3.24Å; N79-H83 PolarHBondContact O-N 3.5Å; L80-H83 PolarHBondContact O-N 3Å; G81-H83 PolarHBondContact O-N 3.43Å; H83-N86 PolarHBondContact O-N 2.73Å; H83-C87 PolarHBondContact O-N 2.89Å; H83-C87 VanDerWaalsContact O-N 3.13Å; H83-C87 PolarHBondContact O-SG 3.3Å; H83-T206 PolarHBondContact CD2-OG1 2.98Å; H83-T206 PolarHBondContact NE2-OG1 3.09Å; H83-Y222 AromaticContact ND1-CE1 3.82Å
84	L	88.2	Confident	87.5	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-42.9	179	-72	-176.3	0	0	0	112.3	V62 I64 L80 G81 N86 C87 G88 V89 L116 T206 L209	V62-L84 HydrophobicContact CG1-CD1 4.31Å; I64-L84 HydrophobicContact CD1-CD1 4.22Å; L80-L84 HydrophobicContact CD1-CD1 4.01Å; L80-L84 HydrophobicContact CD1-CG 4.02Å; L80-L84 HydrophobicContact CG-CD1 4.05Å; L80-L84 HydrophobicContact CG-CG 4.37Å; L80-L84 WeakPolarHBondContact O-CB 3.43Å; L80-L84 WeakPolarHBondContact O-CG 3.31Å; L80-L84 PolarHBondContact O-N 3.26Å; G81-L84 PolarHBondContact O-N 3.34Å; L84-N86 PolarHBondContact O-N 3.31Å; L84-C87 CarbonylContact O-C 3.6Å; L84-C87 WeakPolarHBondContact O-CA 3.48Å; L84-C87 PolarHBondContact O-N 2.97Å; L84-G88 PolarHBondContact O-N 2.79Å; L84-V89 CarbonylContact C-O 3.52Å; L84-V89 VanDerWaalsContact C-O 3.26Å; L84-V89 HydrophobicContact CB-CB 4.04Å; L84-V89 HydrophobicContact CB-CG1 4.32Å; L84-V89 WeakPolarHBondContact O-CA 3.46Å; L84-V89 WeakPolarHBondContact O-CB 3.29Å; L84-V89 PolarHBondContact O-N 2.72Å; L84-L116 HydrophobicContact CD1-CD1 3.95Å; L84-T206 HydrophobicContact CD2-CG2 4.38Å; L84-L209 HydrophobicContact CD1-CD1 3.77Å; L84-L209 HydrophobicContact CD2-CD1 3.69Å; L84-L209 HydrophobicContact CG-CD1 4.41Å
85	H	84.4	Confident	87.4	Confident	50 Å²	50	19.7 Å²	19.7	23%	0.231	11%	0.105	C	C	.	.	H	α-helix	trans	-54.5	-42.9	175	176.6	120.2	0	0	0	110.5	G81 H82 C87 G88 V89 R90 N91 D338	G81-H85 WeakPolarHBondContact O-CB 3.19Å; G81-H85 PolarHBondContact O-N 2.88Å; H82-H85 PolarHBondContact O-N 3.33Å; H85-C87 VanDerWaalsContact C-N 3.29Å; H85-C87 PolarHBondContact O-N 3.36Å; H85-G88 PolarHBondContact O-N 2.81Å; H85-G88 VanDerWaalsContact O-N 3.09Å; H85-V89 WeakPolarHBondContact CA-O 3.42Å; H85-V89 PolarHBondContact N-O 3.32Å; H85-R90 PolarHBondContact CE1-NH1 3.29Å; H85-R90 PolarHBondContact ND1-NH1 3.03Å; H85-N91 PolarHBondContact N-ND2 3.15Å; H85-D338 IonicContact CE1-OD1 3.92Å; H85-D338 IonicContact CE1-OD2 3.75Å; H85-D338 PolarHBondContact CE1-OD2 3.33Å; H85-D338 IonicContact ND1-OD2 3.3Å; H85-D338 PolarHBondContact ND1-OD2 2.88Å
86	N	80.5	Confident	87.7	Confident	22 Å²	22	17.7 Å²	17.7	12%	0.118	10%	0.096	C	C	.	.	H	α-helix	trans	-75.3	-17.2	-179.9	-65.7	-33.7	0	0	0	114.4	H82 H83 L84 Y222 K228	H82-N86 PolarHBondContact CE1-ND2 2.8Å; H82-N86 PolarHBondContact NE2-ND2 3.11Å; H82-N86 PolarHBondContact O-N 2.9Å; H82-N86 VanDerWaalsContact O-N 3.16Å; H82-N86 PolarHBondContact O-ND2 3.25Å; H82-N86 VanDerWaalsContact O-ND2 3.15Å; H83-N86 PolarHBondContact O-N 2.73Å; L84-N86 PolarHBondContact O-N 3.31Å; N86-Y222 HydrophobicContact CB-CD2 4.16Å; N86-Y222 HydrophobicContact CB-CE1 3.82Å; N86-Y222 HydrophobicContact CB-CE2 3.39Å; N86-Y222 WeakPolarHBondContact CB-OH 3.26Å; N86-Y222 PolarHBondContact ND2-OH 3.39Å; N86-Y222 WeakPolarHBondContact O-CD2 3.34Å; N86-K228 WeakPolarHBondContact OD1-CD 3.47Å; N86-K228 PolarHBondContact OD1-NZ 3.03Å
87	C	80.4	Confident	87.5	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.014	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	12.2	167.9	-56.7	0	0	0	0	112.3	H83 L84 H85 V89 T206 Y222	H83-C87 PolarHBondContact O-N 2.89Å; H83-C87 VanDerWaalsContact O-N 3.13Å; H83-C87 PolarHBondContact O-SG 3.3Å; L84-C87 CarbonylContact O-C 3.6Å; L84-C87 WeakPolarHBondContact O-CA 3.48Å; L84-C87 PolarHBondContact O-N 2.97Å; H85-C87 VanDerWaalsContact C-N 3.29Å; H85-C87 PolarHBondContact O-N 3.36Å; C87-V89 VanDerWaalsContact C-N 3.31Å; C87-V89 PolarHBondContact O-N 3.12Å; C87-T206 HydrophobicContact CB-CG2 4.24Å; C87-Y222 WeakPolarHBondContact SG-CD1 3.17Å
88	G	81.5	Confident	87	Confident	38 Å²	38	26 Å²	26	39%	0.392	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-1.3	-178.2	0	0	0	0	0	114.9	L84 H85 R90	L84-G88 PolarHBondContact O-N 2.79Å; H85-G88 PolarHBondContact O-N 2.81Å; H85-G88 VanDerWaalsContact O-N 3.09Å; G88-R90 PolarHBondContact O-N 3.23Å
89	V	85.8	Confident	86.7	Confident	6 Å²	6	25 Å²	25	4%	0.036	13%	0.126	C	C	.	.			trans	-90.8	99.3	-179	-178.9	0	0	0	0	110.4	V62 L84 H85 C87 N91 F213 L215	V62-V89 HydrophobicContact CB-CG1 4.24Å; V62-V89 HydrophobicContact CG2-CG1 3.5Å; V62-V89 VanDerWaalsContact CG2-CG1 3.5Å; L84-V89 CarbonylContact C-O 3.52Å; L84-V89 VanDerWaalsContact C-O 3.26Å; L84-V89 HydrophobicContact CB-CB 4.04Å; L84-V89 HydrophobicContact CB-CG1 4.32Å; L84-V89 WeakPolarHBondContact O-CA 3.46Å; L84-V89 WeakPolarHBondContact O-CB 3.29Å; L84-V89 PolarHBondContact O-N 2.72Å; H85-V89 WeakPolarHBondContact CA-O 3.42Å; H85-V89 PolarHBondContact N-O 3.32Å; C87-V89 VanDerWaalsContact C-N 3.31Å; C87-V89 PolarHBondContact O-N 3.12Å; V89-N91 PolarHBondContact O-N 2.85Å; V89-N91 PolarHBondContact O-ND2 2.79Å; V89-F213 HydrophobicContact CG1-CD2 4.39Å; V89-F213 HydrophobicContact CG1-CE2 4.15Å; V89-F213 HydrophobicContact CG2-CD2 4.47Å; V89-L215 HydrophobicContact CG2-CD1 3.47Å; V89-L215 VanDerWaalsContact CG2-CD1 3.47Å
90	R	86	Confident	86.4	Confident	58 Å²	58	24.8 Å²	24.8	22%	0.219	13%	0.125	C	C	.	.			trans	-64.2	127.4	173.8	-66	-67	-64	177.8	-2.8	110.8	I60 H85 G88 D338 D340	I60-R90 HydrophobicContact CG1-CB 4.34Å; H85-R90 PolarHBondContact CE1-NH1 3.29Å; H85-R90 PolarHBondContact ND1-NH1 3.03Å; G88-R90 PolarHBondContact O-N 3.23Å; R90-D338 IonicContact NH1-OD1 3.22Å; R90-D338 PolarHBondContact NH1-OD1 3.26Å; R90-D338 IonicContact NH1-OD2 2.81Å; R90-D338 PolarHBondContact NH1-OD2 2.89Å; R90-D340 IonicContact CZ-OD2 3.14Å; R90-D340 IonicContact NH2-OD2 3.75Å; R90-D340 PolarHBondContact NH2-OD2 3.23Å
91	N	90.3	Very high	86.1	Confident	18 Å²	18	25.4 Å²	25.4	10%	0.096	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163	-173.3	65.4	88.1	0	0	0	112.5	V62 I64 G81 H85 V89	V62-N91 HydrophobicContact CB-CB 3.89Å; V62-N91 HydrophobicContact CG1-CB 4.18Å; V62-N91 CarbonylContact O-C 3.26Å; V62-N91 WeakPolarHBondContact O-CA 3.47Å; V62-N91 WeakPolarHBondContact O-CB 3.39Å; I64-N91 HydrophobicContact CD1-CB 4.18Å; G81-N91 WeakPolarHBondContact CA-OD1 3.46Å; G81-N91 PolarHBondContact O-ND2 2.86Å; G81-N91 PolarHBondContact O-OD1 3.09Å; H85-N91 PolarHBondContact N-ND2 3.15Å; V89-N91 PolarHBondContact O-N 2.85Å; V89-N91 PolarHBondContact O-ND2 2.79Å
92	L	89.7	Confident	85.9	Confident	7 Å²	7	30 Å²	30	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132	171.3	-169.6	66.7	0	0	0	109.7	L51 V54 I60 V62 I64 M94 L342	L51-L92 HydrophobicContact CD1-CD2 3.86Å; L51-L92 HydrophobicContact CG-CD2 4.29Å; V54-L92 HydrophobicContact CG1-CD1 4.43Å; I60-L92 HydrophobicContact CD1-CB 4.13Å; I60-L92 HydrophobicContact CD1-CD1 4.39Å; I60-L92 HydrophobicContact CG2-CB 4.12Å; V62-L92 PolarHBondContact O-N 2.84Å; I64-L92 PolarHBondContact N-O 3.12Å; L92-M94 HydrophobicContact CD2-CG 3.88Å; L92-M94 HydrophobicContact CD2-SD 3.62Å; L92-M94 HydrophobicContact CG-CG 3.87Å; L92-M94 HydrophobicContact CG-SD 4.27Å; L92-L342 HydrophobicContact CD1-CD1 3.56Å; L92-L342 HydrophobicContact CD1-CD2 4.38Å; L92-L342 HydrophobicContact CD1-CG 3.68Å; L92-L342 HydrophobicContact CD2-CD1 4.39Å; L92-L342 HydrophobicContact CG-CD1 4.01Å
93	V	90	Very high	85.9	Confident	24 Å²	24	28.7 Å²	28.7	15%	0.145	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128	175.4	-176.5	0	0	0	0	110.1	I64 Y66 A77 I78	I64-V93 HydrophobicContact CB-CG2 4.2Å; I64-V93 HydrophobicContact CD1-CG2 3.95Å; I64-V93 CarbonylContact O-C 3.55Å; I64-V93 WeakPolarHBondContact O-CA 3.42Å; Y66-V93 HydrophobicContact CD1-CG1 3.9Å; Y66-V93 HydrophobicContact CE1-CG1 3.99Å; A77-V93 HydrophobicContact CB-CG1 3.96Å; I78-V93 HydrophobicContact CG1-CG1 4.03Å
94	M	89.5	Confident	86.1	Confident	9 Å²	9	27.9 Å²	27.9	4%	0.044	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.1	-170.8	-65.7	-172.6	76.2	0	0	114.4	L51 I64 F65 Y66 L92 Q98 L342	L51-M94 HydrophobicContact CD1-CE 3.2Å; L51-M94 HydrophobicContact CD1-SD 3.06Å; L51-M94 WeakPolarHBondContact CD1-SD 3.41Å; L51-M94 HydrophobicContact CG-SD 4.48Å; I64-M94 PolarHBondContact O-N 2.94Å; F65-M94 CarbonylContact C-O 3.56Å; F65-M94 WeakPolarHBondContact CA-O 3.35Å; F65-M94 HydrophobicContact CD1-CB 4.01Å; F65-M94 HydrophobicContact CE1-CB 4.27Å; F65-M94 HydrophobicContact CE1-SD 3.97Å; Y66-M94 WeakPolarHBondContact CD1-O 3.25Å; Y66-M94 VanDerWaalsContact CE1-C 3.46Å; Y66-M94 WeakPolarHBondContact CE1-O 3.18Å; Y66-M94 PolarHBondContact N-O 3.41Å; L92-M94 HydrophobicContact CD2-CG 3.88Å; L92-M94 HydrophobicContact CD2-SD 3.62Å; L92-M94 HydrophobicContact CG-CG 3.87Å; L92-M94 HydrophobicContact CG-SD 4.27Å; M94-Q98 HydrophobicContact CE-CB 3.95Å; M94-L342 HydrophobicContact CG-CD1 4.15Å
95	D	89.3	Confident	86.1	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.043	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.8	167.3	-163.1	-55.9	0	0	0	110.1	Y66 R97 Q98 S130	Y66-D95 HydrophobicContact CE1-CB 4.48Å; Y66-D95 HydrophobicContact CE2-CB 3.8Å; Y66-D95 WeakPolarHBondContact CE2-OD2 3.48Å; D95-R97 PolarHBondContact O-N 2.83Å; D95-R97 VanDerWaalsContact O-N 3.07Å; D95-R97 WeakPolarHBondContact OD1-CB 3.47Å; D95-R97 VanDerWaalsContact OD1-CG 3.29Å; D95-R97 WeakPolarHBondContact OD1-CG 3.39Å; D95-R97 PolarHBondContact OD1-N 3.04Å; D95-R97 IonicContact OD1-NE 3.5Å; D95-R97 PolarHBondContact OD1-NE 3.42Å; D95-R97 VanDerWaalsContact OD1-NE 3.14Å; D95-R97 IonicContact OD2-CZ 2.86Å; D95-R97 IonicContact OD2-NE 3.24Å; D95-R97 PolarHBondContact OD2-NE 2.9Å; D95-R97 IonicContact OD2-NH2 2.77Å; D95-R97 PolarHBondContact OD2-NH2 3.28Å; D95-Q98 PolarHBondContact O-N 2.87Å; D95-S130 VanDerWaalsContact OD1-CB 3.29Å; D95-S130 WeakPolarHBondContact OD1-CB 3.35Å
96	L	92	Very high	86.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.8	-20.3	176.5	-81	173.2	0	0	0	113.6	F65 Y66 Q98 T99 F117 V119 S130 A131 F134	F65-L96 HydrophobicContact CB-CD2 3.57Å; F65-L96 HydrophobicContact CB-CG 3.98Å; F65-L96 HydrophobicContact CD1-CD2 4.24Å; F65-L96 HydrophobicContact CG-CD2 4.06Å; Y66-L96 WeakPolarHBondContact O-CG 3.39Å; Y66-L96 PolarHBondContact O-N 3.48Å; L96-Q98 PolarHBondContact O-N 3.47Å; L96-T99 PolarHBondContact O-N 3.3Å; L96-T99 VanDerWaalsContact O-N 3.08Å; L96-F117 HydrophobicContact CD2-CD1 4.27Å; L96-F117 HydrophobicContact CD2-CE1 4.17Å; L96-V119 HydrophobicContact CD1-CG1 3.7Å; L96-S130 CarbonylContact C-O 3.49Å; L96-S130 VanDerWaalsContact C-O 3.3Å; L96-S130 WeakPolarHBondContact CB-O 3.46Å; L96-A131 HydrophobicContact CB-CB 4.34Å; L96-A131 HydrophobicContact CD1-CB 3.71Å; L96-F134 HydrophobicContact CB-CB 4.42Å; L96-F134 HydrophobicContact CD1-CD1 4.23Å; L96-F134 HydrophobicContact CD2-CB 4.36Å; L96-F134 HydrophobicContact CD2-CD1 3.85Å; L96-F134 HydrophobicContact CD2-CD2 4.01Å; L96-F134 HydrophobicContact CD2-CE1 4.12Å; L96-F134 HydrophobicContact CD2-CE2 4.27Å; L96-F134 HydrophobicContact CD2-CG 3.79Å; L96-F134 HydrophobicContact CD2-CZ 4.32Å
97	R	87.5	Confident	86.4	Confident	114 Å²	114	27.5 Å²	27.5	43%	0.43	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-60.8	-28.1	172.2	-70.6	179.4	-75.5	173.6	2.4	113.3	D95 T99 S130	D95-R97 PolarHBondContact O-N 2.83Å; D95-R97 VanDerWaalsContact O-N 3.07Å; D95-R97 WeakPolarHBondContact OD1-CB 3.47Å; D95-R97 VanDerWaalsContact OD1-CG 3.29Å; D95-R97 WeakPolarHBondContact OD1-CG 3.39Å; D95-R97 PolarHBondContact OD1-N 3.04Å; D95-R97 IonicContact OD1-NE 3.5Å; D95-R97 PolarHBondContact OD1-NE 3.42Å; D95-R97 VanDerWaalsContact OD1-NE 3.14Å; D95-R97 IonicContact OD2-CZ 2.86Å; D95-R97 IonicContact OD2-NE 3.24Å; D95-R97 PolarHBondContact OD2-NE 2.9Å; D95-R97 IonicContact OD2-NH2 2.77Å; D95-R97 PolarHBondContact OD2-NH2 3.28Å; R97-T99 VanDerWaalsContact C-N 3.29Å; R97-S130 VanDerWaalsContact CG-O 3.23Å; R97-S130 WeakPolarHBondContact CG-O 3.38Å; R97-S130 PolarHBondContact N-O 3.48Å
98	Q	82.4	Confident	86.7	Confident	76 Å²	76	27.9 Å²	27.9	36%	0.355	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-92.2	5.7	-179	-58.5	177.9	6.2	0	0	111.8	M94 D95 L96 I103	M94-Q98 HydrophobicContact CE-CB 3.95Å; D95-Q98 PolarHBondContact O-N 2.87Å; L96-Q98 PolarHBondContact O-N 3.47Å; Q98-I103 WeakPolarHBondContact O-CD1 3.41Å
99	T	82.6	Confident	86.8	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.031	15%	0.154	C	C	.	.			trans	-113.9	144.4	-175	-51.1	0	0	0	0	111.1	F65 L96 R97 I103 F134	F65-T99 HydrophobicContact CD1-CG2 3.99Å; F65-T99 WeakPolarHBondContact CD1-OG1 3.29Å; F65-T99 HydrophobicContact CE1-CG2 3.6Å; F65-T99 WeakPolarHBondContact CE1-OG1 3.43Å; F65-T99 HydrophobicContact CZ-CG2 4.11Å; L96-T99 PolarHBondContact O-N 3.3Å; L96-T99 VanDerWaalsContact O-N 3.08Å; R97-T99 VanDerWaalsContact C-N 3.29Å; T99-I103 HydrophobicContact CG2-CB 4.36Å; T99-I103 HydrophobicContact CG2-CD1 4.46Å; T99-I103 HydrophobicContact CG2-CG2 4.32Å; T99-F134 HydrophobicContact CG2-CD2 4.18Å; T99-F134 HydrophobicContact CG2-CE2 4.25Å
100	N	81.7	Confident	86.6	Confident	32 Å²	32	34.9 Å²	34.9	17%	0.171	17%	0.167	C	C	.	.			trans	-138.3	-179.8	171.9	68.4	2.1	0	0	0	110.2	H48 E102 I103 L104	H48-N100 PolarHBondContact CE1-ND2 3.5Å; H48-N100 PolarHBondContact CE1-OD1 3.09Å; H48-N100 PolarHBondContact NE2-ND2 3.42Å; H48-N100 VanDerWaalsContact NE2-ND2 3.19Å; N100-E102 VanDerWaalsContact C-N 3.3Å; N100-E102 PolarHBondContact O-N 3.43Å; N100-E102 WeakPolarHBondContact OD1-CB 3.49Å; N100-E102 PolarHBondContact OD1-N 2.91Å; N100-I103 PolarHBondContact O-N 2.73Å; N100-I103 WeakPolarHBondContact OD1-CG1 3.32Å; N100-I103 PolarHBondContact OD1-N 3.3Å; N100-L104 PolarHBondContact O-N 3.31Å
101	M	86.1	Confident	86.3	Confident	12 Å²	12	38.8 Å²	38.8	6%	0.059	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-30.2	179.5	-73.2	-59.6	-59.3	0	0	113.2	I103 L104 V105 N137 L138 Q143 L145	M101-I103 VanDerWaalsContact C-N 3.34Å; M101-I103 PolarHBondContact O-N 3.37Å; M101-L104 PolarHBondContact O-N 3.48Å; M101-L104 VanDerWaalsContact O-N 3.15Å; M101-L104 HydrophobicContact SD-CD1 4.08Å; M101-V105 WeakPolarHBondContact O-CG2 3.49Å; M101-V105 PolarHBondContact O-N 2.9Å; M101-N137 HydrophobicContact CG-CB 3.9Å; M101-L138 HydrophobicContact CE-CD1 3.96Å; M101-L138 HydrophobicContact SD-CB 4.09Å; M101-L138 HydrophobicContact SD-CD1 3.61Å; M101-L138 HydrophobicContact SD-CG 4.47Å; M101-Q143 VanDerWaalsContact CB-OE1 3.31Å; M101-L145 HydrophobicContact CE-CD1 4.26Å
102	E	85.8	Confident	85.9	Confident	101 Å²	101	42.2 Å²	42.2	47%	0.472	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-41.6	176.1	-174.1	-179.7	-177.4	0	0	111.8	N100 L104 V105 N106	N100-E102 VanDerWaalsContact C-N 3.3Å; N100-E102 PolarHBondContact O-N 3.43Å; N100-E102 WeakPolarHBondContact OD1-CB 3.49Å; N100-E102 PolarHBondContact OD1-N 2.91Å; E102-L104 PolarHBondContact O-N 2.78Å; E102-V105 PolarHBondContact O-N 3.39Å; E102-N106 WeakPolarHBondContact O-CB 3.29Å; E102-N106 PolarHBondContact O-N 2.87Å; E102-N106 PolarHBondContact O-ND2 2.9Å
103	I	85.2	Confident	85.7	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-46.6	173.3	-69.9	163.9	0	0	0	110.5	H48 L51 F65 Q98 T99 N100 M101 V105 N106 L107	H48-I103 WeakPolarHBondContact ND1-CD1 3.33Å; L51-I103 HydrophobicContact CD2-CG1 4.34Å; L51-I103 HydrophobicContact CD2-CG2 4Å; F65-I103 HydrophobicContact CZ-CG2 4.36Å; Q98-I103 WeakPolarHBondContact O-CD1 3.41Å; T99-I103 HydrophobicContact CG2-CB 4.36Å; T99-I103 HydrophobicContact CG2-CD1 4.46Å; T99-I103 HydrophobicContact CG2-CG2 4.32Å; N100-I103 PolarHBondContact O-N 2.73Å; N100-I103 WeakPolarHBondContact OD1-CG1 3.32Å; N100-I103 PolarHBondContact OD1-N 3.3Å; M101-I103 VanDerWaalsContact C-N 3.34Å; M101-I103 PolarHBondContact O-N 3.37Å; I103-V105 VanDerWaalsContact C-N 3.34Å; I103-V105 PolarHBondContact O-N 3.08Å; I103-N106 PolarHBondContact O-N 2.86Å; I103-L107 HydrophobicContact CG2-CD1 4.18Å; I103-L107 HydrophobicContact CG2-CG 4.39Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.33Å; I103-L107 PolarHBondContact O-N 3.25Å
104	L	89.1	Confident	85.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-38.4	178.7	-64.8	-170.2	0	0	0	112.7	F65 N100 M101 E102 L107 S108 F117 F134 L145 L174	F65-L104 HydrophobicContact CE2-CD2 4.2Å; F65-L104 HydrophobicContact CZ-CD2 4.43Å; N100-L104 PolarHBondContact O-N 3.31Å; M101-L104 PolarHBondContact O-N 3.48Å; M101-L104 VanDerWaalsContact O-N 3.15Å; M101-L104 HydrophobicContact SD-CD1 4.08Å; E102-L104 PolarHBondContact O-N 2.78Å; L104-L107 HydrophobicContact CD2-CD1 4.27Å; L104-L107 PolarHBondContact O-N 2.83Å; L104-S108 WeakPolarHBondContact O-CB 3.37Å; L104-S108 PolarHBondContact O-N 3.23Å; L104-F117 HydrophobicContact CD2-CZ 4.1Å; L104-F134 HydrophobicContact CD1-CE2 3.69Å; L104-F134 HydrophobicContact CD1-CZ 3.91Å; L104-F134 HydrophobicContact CG-CE2 4.3Å; L104-L145 HydrophobicContact CB-CD1 4.36Å; L104-L145 HydrophobicContact CB-CD2 3.96Å; L104-L145 HydrophobicContact CD1-CD1 4.3Å; L104-L174 HydrophobicContact CD1-CD2 4.04Å
105	V	88.4	Confident	86.2	Confident	21 Å²	21	40.7 Å²	40.7	13%	0.127	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-47.1	174.7	168.6	0	0	0	0	110.7	M101 E102 I103 L107 S108 M109 Q143 L145	M101-V105 WeakPolarHBondContact O-CG2 3.49Å; M101-V105 PolarHBondContact O-N 2.9Å; E102-V105 PolarHBondContact O-N 3.39Å; I103-V105 VanDerWaalsContact C-N 3.34Å; I103-V105 PolarHBondContact O-N 3.08Å; V105-L107 VanDerWaalsContact C-N 3.32Å; V105-L107 PolarHBondContact O-N 2.85Å; V105-S108 CarbonylContact O-C 3.58Å; V105-S108 WeakPolarHBondContact O-CA 3.4Å; V105-S108 WeakPolarHBondContact O-CB 3.44Å; V105-S108 PolarHBondContact O-N 2.8Å; V105-S108 PolarHBondContact O-OG 2.98Å; V105-M109 HydrophobicContact CG1-CE 3.65Å; V105-M109 HydrophobicContact CG1-SD 4.46Å; V105-M109 WeakPolarHBondContact O-CG 3.36Å; V105-M109 PolarHBondContact O-N 3.46Å; V105-Q143 HydrophobicContact CG2-CB 3.71Å; V105-Q143 VanDerWaalsContact CG2-CD 3.49Å; V105-Q143 HydrophobicContact CG2-CG 4.08Å; V105-L145 HydrophobicContact CG2-CD2 3.94Å
106	N	85.8	Confident	86.6	Confident	40 Å²	40	40.3 Å²	40.3	21%	0.214	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-41.2	178	-66.6	-26.1	0	0	0	111.4	L52 E102 I103 S108 M109 L110	L52-N106 HydrophobicContact CD1-CB 4.5Å; L52-N106 HydrophobicContact CD2-CB 3.94Å; E102-N106 WeakPolarHBondContact O-CB 3.29Å; E102-N106 PolarHBondContact O-N 2.87Å; E102-N106 PolarHBondContact O-ND2 2.9Å; I103-N106 PolarHBondContact O-N 2.86Å; N106-S108 VanDerWaalsContact C-N 3.27Å; N106-S108 PolarHBondContact O-N 3.26Å; N106-M109 PolarHBondContact O-N 3.45Å; N106-M109 VanDerWaalsContact O-N 3.11Å; N106-L110 PolarHBondContact O-N 3.33Å
107	L	86.2	Confident	86.9	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-38.4	172.2	-70.9	178.1	0	0	0	112.2	M55 F65 I103 L104 V105 M109 L110 C113 L148	M55-L107 HydrophobicContact CE-CD2 3.19Å; M55-L107 HydrophobicContact SD-CD2 3.58Å; M55-L107 VanDerWaalsContact SD-CD2 3.58Å; F65-L107 HydrophobicContact CE2-CD1 4.15Å; F65-L107 HydrophobicContact CZ-CD1 3.99Å; I103-L107 HydrophobicContact CG2-CD1 4.18Å; I103-L107 HydrophobicContact CG2-CG 4.39Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.33Å; I103-L107 PolarHBondContact O-N 3.25Å; L104-L107 HydrophobicContact CD2-CD1 4.27Å; L104-L107 PolarHBondContact O-N 2.83Å; V105-L107 VanDerWaalsContact C-N 3.32Å; V105-L107 PolarHBondContact O-N 2.85Å; L107-M109 VanDerWaalsContact C-N 3.26Å; L107-M109 PolarHBondContact O-N 3.17Å; L107-L110 PolarHBondContact O-N 3.12Å; L107-C113 WeakPolarHBondContact O-CB 3.42Å; L107-L148 HydrophobicContact CB-CD1 3.93Å
108	S	85.8	Confident	87.4	Confident	10 Å²	10	34.9 Å²	34.9	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-71.9	-18.1	177.5	79.4	0	0	0	0	113.7	L104 V105 N106 N147	L104-S108 WeakPolarHBondContact O-CB 3.37Å; L104-S108 PolarHBondContact O-N 3.23Å; V105-S108 CarbonylContact O-C 3.58Å; V105-S108 WeakPolarHBondContact O-CA 3.4Å; V105-S108 WeakPolarHBondContact O-CB 3.44Å; V105-S108 PolarHBondContact O-N 2.8Å; V105-S108 PolarHBondContact O-OG 2.98Å; N106-S108 VanDerWaalsContact C-N 3.27Å; N106-S108 PolarHBondContact O-N 3.26Å; S108-N147 VanDerWaalsContact O-CB 3.24Å; S108-N147 WeakPolarHBondContact O-CB 3.45Å
109	M	84.4	Confident	88.2	Confident	134 Å²	134	31.3 Å²	31.3	66%	0.66	16%	0.163	S	C	*	.	H	α-helix	trans	-83.6	-16.9	174.6	-68.3	178.3	176.8	0	0	112.8	V105 N106 L107	V105-M109 HydrophobicContact CG1-CE 3.65Å; V105-M109 HydrophobicContact CG1-SD 4.46Å; V105-M109 WeakPolarHBondContact O-CG 3.36Å; V105-M109 PolarHBondContact O-N 3.46Å; N106-M109 PolarHBondContact O-N 3.45Å; N106-M109 VanDerWaalsContact O-N 3.11Å; L107-M109 VanDerWaalsContact C-N 3.26Å; L107-M109 PolarHBondContact O-N 3.17Å
110	L	81.5	Confident	88.8	Confident	57 Å²	57	31.5 Å²	31.5	30%	0.298	17%	0.165	S	C	.	.	S	Bend	trans	-87.1	138.3	178.3	-64.2	174.6	0	0	0	110.6	M55 N106 L107 N112 C113	M55-L110 HydrophobicContact CE-CD1 4.42Å; N106-L110 PolarHBondContact O-N 3.33Å; L107-L110 PolarHBondContact O-N 3.12Å; L110-N112 PolarHBondContact O-N 2.65Å; L110-C113 HydrophobicContact CB-CB 4.27Å; L110-C113 WeakPolarHBondContact CB-SG 3.34Å
111	D	78.8	Confident	89.4	Confident	140 Å²	140	31.2 Å²	31.2	75%	0.749	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	136.3	176.3	-70.6	-32.2	0	0	0	111.1	C113	D111-C113 VanDerWaalsContact C-N 3.29Å; D111-C113 PolarHBondContact O-N 3.31Å
112	N	82.1	Confident	89.4	Confident	90 Å²	90	34.3 Å²	34.3	48%	0.481	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	33.7	174.3	-58.9	-40.3	0	0	0	114.8	L110 F212 F213	L110-N112 PolarHBondContact O-N 2.65Å; N112-F212 HydrophobicContact CB-CE1 4.01Å; N112-F212 HydrophobicContact CB-CZ 4.26Å; N112-F213 HydrophobicContact CB-CE1 4.33Å; N112-F213 WeakPolarHBondContact O-CE1 3.2Å
113	C	86.4	Confident	88.9	Confident	7 Å²	7	31.6 Å²	31.6	5%	0.047	18%	0.176	C	C	.	.			trans	-86.4	141.4	173.7	-78	0	0	0	0	113.1	K61 L107 L110 D111 R149	K61-C113 WeakPolarHBondContact O-CA 3.39Å; L107-C113 WeakPolarHBondContact O-CB 3.42Å; L110-C113 HydrophobicContact CB-CB 4.27Å; L110-C113 WeakPolarHBondContact CB-SG 3.34Å; D111-C113 VanDerWaalsContact C-N 3.29Å; D111-C113 PolarHBondContact O-N 3.31Å; C113-R149 PolarHBondContact O-N 3.29Å
114	V	94.1	Very high	88.4	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.3	179.2	-174.2	0	0	0	0	110.9	K61 V62 S63 L116 R149 L182 L209 F212 F213	K61-V114 PolarHBondContact O-N 2.94Å; V62-V114 WeakPolarHBondContact CA-O 3.44Å; V62-V114 HydrophobicContact CG2-CB 4.29Å; S63-V114 PolarHBondContact N-O 3.39Å; V114-L116 HydrophobicContact CG1-CD2 3.67Å; V114-L116 HydrophobicContact CG1-CG 4.17Å; V114-R149 CarbonylContact C-O 3.6Å; V114-R149 WeakPolarHBondContact CA-O 3.42Å; V114-R149 HydrophobicContact CG1-CB 4.47Å; V114-R149 HydrophobicContact CG2-CB 4.06Å; V114-L182 HydrophobicContact CG1-CD2 3.97Å; V114-L209 HydrophobicContact CB-CD2 4.34Å; V114-L209 HydrophobicContact CG1-CD2 4.11Å; V114-L209 HydrophobicContact CG2-CD2 4.01Å; V114-F212 HydrophobicContact CG2-CD1 4.03Å; V114-F212 HydrophobicContact CG2-CE1 3.78Å; V114-F213 HydrophobicContact CG2-CE2 4.39Å; V114-F213 HydrophobicContact CG2-CZ 3.87Å
115	A	95.3	Very high	88.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.9	172.2	0	0	0	0	0	111.4	S63 F65 F117 L148 R149 F150 A151	S63-A115 CarbonylContact O-C 3.52Å; S63-A115 WeakPolarHBondContact O-CA 3.49Å; F65-A115 HydrophobicContact CD2-CB 4.45Å; F65-A115 HydrophobicContact CE2-CB 4.02Å; A115-F117 HydrophobicContact CB-CE2 3.71Å; A115-F117 HydrophobicContact CB-CZ 4.1Å; A115-L148 HydrophobicContact CB-CD1 3.97Å; A115-L148 HydrophobicContact CB-CD2 4.36Å; A115-L148 HydrophobicContact CB-CG 4.39Å; A115-R149 PolarHBondContact N-O 3.49Å; A115-F150 CarbonylContact O-C 3.49Å; A115-F150 WeakPolarHBondContact O-CA 3.35Å; A115-F150 VanDerWaalsContact O-CB 3.26Å; A115-F150 WeakPolarHBondContact O-CB 3.42Å; A115-A151 PolarHBondContact O-N 3.33Å; A115-A151 VanDerWaalsContact O-N 3.13Å
116	L	97.8	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.2	-180	-55.6	177.8	0	0	0	109.4	V62 S63 I64 F65 L80 L84 V114 A151 L205 L209	V62-L116 HydrophobicContact CG1-CD1 3.48Å; V62-L116 VanDerWaalsContact CG1-CD1 3.48Å; V62-L116 HydrophobicContact CG1-CG 3.96Å; S63-L116 PolarHBondContact O-N 3.26Å; I64-L116 CarbonylContact C-O 3.59Å; I64-L116 WeakPolarHBondContact CA-O 3.45Å; I64-L116 HydrophobicContact CG1-CB 4.16Å; I64-L116 HydrophobicContact CG1-CD1 3.92Å; I64-L116 HydrophobicContact CG1-CG 4.49Å; I64-L116 HydrophobicContact CG2-CB 4.46Å; F65-L116 PolarHBondContact N-O 3.29Å; L80-L116 HydrophobicContact CD2-CD1 4.02Å; L84-L116 HydrophobicContact CD1-CD1 3.95Å; V114-L116 HydrophobicContact CG1-CD2 3.67Å; V114-L116 HydrophobicContact CG1-CG 4.17Å; L116-A151 WeakPolarHBondContact CA-O 3.32Å; L116-A151 HydrophobicContact CD2-CB 3.81Å; L116-L205 HydrophobicContact CD1-CD2 3.82Å; L116-L205 HydrophobicContact CD2-CD1 3.95Å; L116-L205 HydrophobicContact CD2-CD2 3.92Å; L116-L205 HydrophobicContact CD2-CG 4.49Å; L116-L205 HydrophobicContact CG-CD2 4.46Å; L116-L209 HydrophobicContact CD1-CD1 4.35Å
117	F	98.3	Very high	88.4	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.3	-177.7	-63	-93.1	0	0	0	110.9	F65 L96 L104 A115 V119 F134 F150 A151 V152 F153 I170 L174	F65-F117 HydrophobicContact CB-CD1 3.85Å; F65-F117 HydrophobicContact CB-CE1 4.06Å; F65-F117 HydrophobicContact CD2-CD1 4.16Å; F65-F117 AromaticContact CD2-CE1 3.7Å; F65-F117 HydrophobicContact CD2-CE1 3.7Å; F65-F117 HydrophobicContact CD2-CE2 4.5Å; F65-F117 AromaticContact CD2-CZ 3.89Å; F65-F117 HydrophobicContact CD2-CZ 3.89Å; F65-F117 HydrophobicContact CE2-CZ 4.37Å; F65-F117 HydrophobicContact CG-CD1 4.36Å; F65-F117 HydrophobicContact CG-CE1 4.09Å; F65-F117 WeakPolarHBondContact O-CA 3.25Å; L96-F117 HydrophobicContact CD2-CD1 4.27Å; L96-F117 HydrophobicContact CD2-CE1 4.17Å; L104-F117 HydrophobicContact CD2-CZ 4.1Å; A115-F117 HydrophobicContact CB-CE2 3.71Å; A115-F117 HydrophobicContact CB-CZ 4.1Å; F117-V119 HydrophobicContact CB-CG1 4.3Å; F117-F134 HydrophobicContact CE1-CE1 4.09Å; F117-F134 HydrophobicContact CE1-CE2 4.39Å; F117-F134 AromaticContact CE1-CZ 3.65Å; F117-F134 HydrophobicContact CE1-CZ 3.65Å; F117-F134 HydrophobicContact CZ-CZ 4.22Å; F117-F150 HydrophobicContact CE2-CB 4.33Å; F117-A151 PolarHBondContact N-O 3.05Å; F117-V152 HydrophobicContact CB-CB 4.49Å; F117-V152 HydrophobicContact CB-CG1 4.23Å; F117-V152 HydrophobicContact CB-CG2 4.18Å; F117-V152 HydrophobicContact CD2-CG2 4.28Å; F117-V152 CarbonylContact O-C 3.52Å; F117-V152 WeakPolarHBondContact O-CA 3.29Å; F117-F153 PolarHBondContact O-N 3.3Å; F117-I170 HydrophobicContact CB-CG2 4.5Å; F117-I170 HydrophobicContact CD1-CG2 4.24Å; F117-I170 HydrophobicContact CD2-CG2 4.4Å; F117-I170 HydrophobicContact CG-CG2 4.13Å; F117-L174 HydrophobicContact CD2-CD1 3.92Å; F117-L174 HydrophobicContact CE2-CD1 3.47Å; F117-L174 VanDerWaalsContact CE2-CD1 3.47Å; F117-L174 HydrophobicContact CZ-CD1 4Å
118	V	98.3	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	99.4	174.6	-175.4	0	0	0	0	108.2	I64 F65 Y66 G67 A73 F76 A77 L80 F153 L155 W201	I64-V118 HydrophobicContact CG2-CG2 4.48Å; F65-V118 PolarHBondContact O-N 3.04Å; Y66-V118 WeakPolarHBondContact CA-O 3.42Å; G67-V118 PolarHBondContact N-O 3.12Å; A73-V118 HydrophobicContact CB-CG1 4.11Å; A73-V118 WeakPolarHBondContact O-CG1 3.31Å; F76-V118 HydrophobicContact CB-CG1 3.83Å; A77-V118 HydrophobicContact CB-CB 4.22Å; A77-V118 HydrophobicContact CB-CG2 4.23Å; L80-V118 HydrophobicContact CD2-CG2 4.43Å; V118-F153 WeakPolarHBondContact CA-O 3.32Å; V118-F153 HydrophobicContact CG1-CD1 4.35Å; V118-L155 HydrophobicContact CG1-CD1 3.71Å; V118-W201 HydrophobicContact CG2-CH2 4.46Å; V118-W201 HydrophobicContact CG2-CZ3 4.49Å
119	V	98.1	Very high	88.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.1	-162.2	-68.2	0	0	0	0	112.9	L96 F117 V152 F153 G154 L155 V166 I170	L96-V119 HydrophobicContact CD1-CG1 3.7Å; F117-V119 HydrophobicContact CB-CG1 4.3Å; V119-V152 HydrophobicContact CG2-CG1 4.12Å; V119-F153 PolarHBondContact N-O 3.12Å; V119-G154 CarbonylContact O-C 3.53Å; V119-G154 WeakPolarHBondContact O-CA 3.38Å; V119-L155 PolarHBondContact O-N 3.41Å; V119-V166 HydrophobicContact CB-CG1 4.39Å; V119-V166 HydrophobicContact CG2-CG1 4.46Å; V119-I170 HydrophobicContact CB-CD1 4.34Å; V119-I170 HydrophobicContact CG1-CD1 3.83Å; V119-I170 HydrophobicContact CG2-CD1 4.14Å
120	A	96.4	Very high	88.6	Confident	10 Å²	10	32.4 Å²	32.4	8%	0.083	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149.5	173.9	0	0	0	0	0	112.2	G67 A73 Y122 T128 L155	G67-A120 PolarHBondContact O-N 2.75Å; A73-A120 HydrophobicContact CB-CB 4.5Å; A120-Y122 HydrophobicContact CB-CD2 4.35Å; A120-Y122 HydrophobicContact CB-CE2 4.32Å; A120-T128 HydrophobicContact CB-CG2 3.87Å; A120-L155 WeakPolarHBondContact CA-O 3.42Å; A120-L155 HydrophobicContact CB-CB 4.15Å
121	T	93.6	Very high	89.1	Confident	25 Å²	25	29.7 Å²	29.7	15%	0.153	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.3	169	-57.6	0	0	0	0	109.5	L155 N164 A165 V166	T121-L155 PolarHBondContact N-O 3.36Å; T121-N164 WeakPolarHBondContact OG1-CA 3.24Å; T121-A165 HydrophobicContact CG2-CB 4.09Å; T121-A165 PolarHBondContact OG1-N 2.83Å; T121-V166 HydrophobicContact CG2-CG2 4.04Å; T121-V166 PolarHBondContact OG1-N 2.79Å; T121-V166 VanDerWaalsContact OG1-N 3.16Å
122	Y	85.6	Confident	89.7	Confident	77 Å²	77	28 Å²	28	30%	0.302	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	164.5	-179.5	-100.5	-107.2	0	0	0	111.9	Q69 T70 A120 E124 G125 E126 T128	Q69-Y122 HydrophobicContact CB-CD1 3.93Å; Q69-Y122 HydrophobicContact CB-CD2 3.76Å; Q69-Y122 HydrophobicContact CB-CE1 3.59Å; Q69-Y122 HydrophobicContact CB-CE2 3.42Å; Q69-Y122 VanDerWaalsContact CB-CE2 3.42Å; Q69-Y122 HydrophobicContact CB-CG 4.03Å; Q69-Y122 HydrophobicContact CG-CD1 3.75Å; Q69-Y122 HydrophobicContact CG-CD2 4.49Å; Q69-Y122 HydrophobicContact CG-CE1 3.47Å; Q69-Y122 VanDerWaalsContact CG-CE1 3.47Å; Q69-Y122 HydrophobicContact CG-CE2 4.28Å; Q69-Y122 HydrophobicContact CG-CG 4.28Å; T70-Y122 WeakPolarHBondContact CG2-OH 3.42Å; T70-Y122 PolarHBondContact OG1-OH 3.41Å; A120-Y122 HydrophobicContact CB-CD2 4.35Å; A120-Y122 HydrophobicContact CB-CE2 4.32Å; Y122-E124 PolarHBondContact O-N 2.65Å; Y122-G125 PolarHBondContact O-N 3.14Å; Y122-E126 PolarHBondContact N-O 2.64Å; Y122-E126 PolarHBondContact O-N 3.05Å; Y122-E126 VanDerWaalsContact O-O 3.12Å; Y122-T128 HydrophobicContact CD2-CG2 3.82Å; Y122-T128 HydrophobicContact CE2-CG2 4.45Å; Y122-T128 HydrophobicContact CG-CG2 4.47Å
123	G	76.5	Confident	90	Very high	45 Å²	45	30 Å²	30	46%	0.464	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-131.3	177.1	0	0	0	0	0	112.8	G125	G123-G125 VanDerWaalsContact C-N 3.3Å; G123-G125 PolarHBondContact O-N 3.36Å
124	E	72.9	Confident	90.3	Very high	59 Å²	59	29.7 Å²	29.7	28%	0.276	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	46.7	178.5	-68.3	-70	134.3	0	0	111.7	Y122 Y162 R654 T661	Y122-E124 PolarHBondContact O-N 2.65Å; E124-Y162 HydrophobicContact CB-CD2 4.14Å; E124-Y162 HydrophobicContact CB-CE2 4.11Å; E124-Y162 WeakPolarHBondContact O-CD2 3.47Å; E124-Y162 WeakPolarHBondContact O-CE2 3.37Å; E124-R654 IonicContact OE2-CZ 2.73Å; E124-R654 IonicContact OE2-NH1 3.13Å; E124-R654 PolarHBondContact OE2-NH1 3.25Å; E124-T661 PolarHBondContact OE1-OG1 2.73Å
125	G	83.9	Confident	90.3	Very high	19 Å²	19	29.7 Å²	29.7	20%	0.196	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	15.8	-178.7	0	0	0	0	0	114.4	Y122 G123 Y162	Y122-G125 PolarHBondContact O-N 3.14Å; G123-G125 VanDerWaalsContact C-N 3.3Å; G123-G125 PolarHBondContact O-N 3.36Å; G125-Y162 VanDerWaalsContact CA-CB 3.48Å
126	E	87.2	Confident	90.1	Very high	82 Å²	82	33.2 Å²	33.2	38%	0.383	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	152.9	179.9	-65.6	169.5	119	0	0	111.3	Y122 V166 N502	Y122-E126 PolarHBondContact N-O 2.64Å; Y122-E126 PolarHBondContact O-N 3.05Å; Y122-E126 VanDerWaalsContact O-O 3.12Å; E126-V166 VanDerWaalsContact C-CG2 3.48Å; E126-V166 VanDerWaalsContact O-CG2 3.26Å; E126-V166 WeakPolarHBondContact O-CG2 3.34Å; E126-N502 PolarHBondContact OE1-ND2 3.04Å
127	P	92.3	Very high	89.8	Confident	18 Å²	18	36 Å²	36	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	153.9	167.6	26.2	-32.1	0	0	0	111.9	A131 R132 M135 V166	P127-A131 HydrophobicContact CB-CB 3.98Å; P127-R132 HydrophobicContact CG-CB 4.29Å; P127-R132 HydrophobicContact CG-CG 4.47Å; P127-M135 HydrophobicContact CB-CB 4.39Å; P127-M135 HydrophobicContact CB-CG 3.77Å; P127-M135 HydrophobicContact CG-CB 4.17Å; P127-M135 HydrophobicContact CG-CG 4.05Å; P127-V166 VanDerWaalsContact CA-CG2 3.48Å; P127-V166 HydrophobicContact CB-CG1 4.38Å; P127-V166 HydrophobicContact CB-CG2 4.21Å
128	T	90.1	Very high	89.6	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-56.1	156.8	164.3	59.7	0	0	0	0	110.2	G67 S68 Q69 A120 Y122 S130 A131 R132	G67-T128 VanDerWaalsContact C-OG1 3.26Å; S68-T128 PolarHBondContact N-OG1 3.27Å; Q69-T128 HydrophobicContact CB-CG2 4Å; A120-T128 HydrophobicContact CB-CG2 3.87Å; Y122-T128 HydrophobicContact CD2-CG2 3.82Å; Y122-T128 HydrophobicContact CE2-CG2 4.45Å; Y122-T128 HydrophobicContact CG-CG2 4.47Å; T128-S130 PolarHBondContact O-N 3.35Å; T128-S130 VanDerWaalsContact O-N 3.09Å; T128-S130 PolarHBondContact OG1-OG 2.98Å; T128-A131 PolarHBondContact O-N 3.49Å; T128-A131 PolarHBondContact OG1-N 2.85Å; T128-R132 PolarHBondContact O-N 3.35Å; T128-R132 VanDerWaalsContact O-N 3.08Å
129	D	84.6	Confident	89.3	Confident	43 Å²	43	41.1 Å²	41.1	23%	0.23	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-53.2	-36.7	176.1	-69.9	-31.9	0	0	0	111	Q69 A131 R132 H499	Q69-D129 PolarHBondContact NE2-OD2 3.19Å; D129-A131 VanDerWaalsContact C-N 3.31Å; D129-A131 PolarHBondContact O-N 2.8Å; D129-R132 IonicContact OD1-CZ 2.66Å; D129-R132 IonicContact OD1-NH1 2.75Å; D129-R132 PolarHBondContact OD1-NH1 2.87Å; D129-R132 IonicContact OD1-NH2 3.8Å; D129-R132 PolarHBondContact OD1-NH2 3Å; D129-H499 IonicContact OD2-CE1 2.84Å; D129-H499 PolarHBondContact OD2-CE1 2.61Å; D129-H499 IonicContact OD2-ND1 3.95Å
130	S	87	Confident	89	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.035	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.6	-24.7	177.1	45.9	0	0	0	0	115.6	S68 D95 L96 R97 T128	S68-S130 PolarHBondContact N-OG 3.31Å; S68-S130 PolarHBondContact O-OG 3.49Å; D95-S130 VanDerWaalsContact OD1-CB 3.29Å; D95-S130 WeakPolarHBondContact OD1-CB 3.35Å; L96-S130 CarbonylContact C-O 3.49Å; L96-S130 VanDerWaalsContact C-O 3.3Å; L96-S130 WeakPolarHBondContact CB-O 3.46Å; R97-S130 VanDerWaalsContact CG-O 3.23Å; R97-S130 WeakPolarHBondContact CG-O 3.38Å; R97-S130 PolarHBondContact N-O 3.48Å; T128-S130 PolarHBondContact O-N 3.35Å; T128-S130 VanDerWaalsContact O-N 3.09Å; T128-S130 PolarHBondContact OG1-OG 2.98Å
131	A	92.4	Very high	88.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-105.6	-5.4	-177.4	0	0	0	0	0	113.2	L96 P127 T128 D129 F134 M135	L96-A131 HydrophobicContact CB-CB 4.34Å; L96-A131 HydrophobicContact CD1-CB 3.71Å; P127-A131 HydrophobicContact CB-CB 3.98Å; T128-A131 PolarHBondContact O-N 3.49Å; T128-A131 PolarHBondContact OG1-N 2.85Å; D129-A131 VanDerWaalsContact C-N 3.31Å; D129-A131 PolarHBondContact O-N 2.8Å; A131-F134 PolarHBondContact O-N 2.91Å; A131-M135 WeakPolarHBondContact O-CB 3.5Å; A131-M135 WeakPolarHBondContact O-CG 3.49Å; A131-M135 PolarHBondContact O-N 3.42Å
132	R	90	Very high	88.4	Confident	106 Å²	106	56.8 Å²	56.8	40%	0.4	28%	0.28	S	S	.	.	H	α-helix	trans	-57.9	-54.9	-172.1	-173.8	178.3	-69.6	117.6	3	112.7	P127 T128 D129 F134 M135 D136	P127-R132 HydrophobicContact CG-CB 4.29Å; P127-R132 HydrophobicContact CG-CG 4.47Å; T128-R132 PolarHBondContact O-N 3.35Å; T128-R132 VanDerWaalsContact O-N 3.08Å; D129-R132 IonicContact OD1-CZ 2.66Å; D129-R132 IonicContact OD1-NH1 2.75Å; D129-R132 PolarHBondContact OD1-NH1 2.87Å; D129-R132 IonicContact OD1-NH2 3.8Å; D129-R132 PolarHBondContact OD1-NH2 3Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 3.32Å; R132-M135 PolarHBondContact O-N 3.17Å; R132-D136 PolarHBondContact O-N 2.95Å
133	Q	88.9	Confident	88.6	Confident	130 Å²	130	57 Å²	57	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-63.3	-40.1	-179.4	-172.8	176.7	15.9	0	0	112.2	D136 N137	Q133-D136 PolarHBondContact O-N 2.77Å; Q133-N137 WeakPolarHBondContact O-CB 3.41Å; Q133-N137 PolarHBondContact O-N 3.34Å; Q133-N137 PolarHBondContact O-ND2 2.96Å
134	F	93.6	Very high	89.3	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-46.5	175.1	172.7	-99.5	0	0	0	111.6	L96 T99 L104 F117 A131 R132 D136 N137 L138 I170	L96-F134 HydrophobicContact CB-CB 4.42Å; L96-F134 HydrophobicContact CD1-CD1 4.23Å; L96-F134 HydrophobicContact CD2-CB 4.36Å; L96-F134 HydrophobicContact CD2-CD1 3.85Å; L96-F134 HydrophobicContact CD2-CD2 4.01Å; L96-F134 HydrophobicContact CD2-CE1 4.12Å; L96-F134 HydrophobicContact CD2-CE2 4.27Å; L96-F134 HydrophobicContact CD2-CG 3.79Å; L96-F134 HydrophobicContact CD2-CZ 4.32Å; T99-F134 HydrophobicContact CG2-CD2 4.18Å; T99-F134 HydrophobicContact CG2-CE2 4.25Å; L104-F134 HydrophobicContact CD1-CE2 3.69Å; L104-F134 HydrophobicContact CD1-CZ 3.91Å; L104-F134 HydrophobicContact CG-CE2 4.3Å; F117-F134 HydrophobicContact CE1-CE1 4.09Å; F117-F134 HydrophobicContact CE1-CE2 4.39Å; F117-F134 AromaticContact CE1-CZ 3.65Å; F117-F134 HydrophobicContact CE1-CZ 3.65Å; F117-F134 HydrophobicContact CZ-CZ 4.22Å; A131-F134 PolarHBondContact O-N 2.91Å; R132-F134 VanDerWaalsContact C-N 3.34Å; R132-F134 PolarHBondContact O-N 3.32Å; F134-D136 VanDerWaalsContact C-N 3.34Å; F134-D136 PolarHBondContact O-N 3.49Å; F134-N137 PolarHBondContact O-N 2.97Å; F134-L138 HydrophobicContact CE1-CD2 3.91Å; F134-L138 HydrophobicContact CZ-CD2 4.02Å; F134-L138 WeakPolarHBondContact O-CB 3.44Å; F134-L138 PolarHBondContact O-N 2.82Å; F134-I170 HydrophobicContact CD1-CD1 4.37Å; F134-I170 HydrophobicContact CE1-CD1 3.95Å; F134-I170 HydrophobicContact CE1-CG1 4.21Å
135	M	93.7	Very high	90.2	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-40.6	177.8	-78.1	-58.8	-62.6	0	0	112.7	P127 A131 R132 L138 K139 V166 I170 L173	P127-M135 HydrophobicContact CB-CB 4.39Å; P127-M135 HydrophobicContact CB-CG 3.77Å; P127-M135 HydrophobicContact CG-CB 4.17Å; P127-M135 HydrophobicContact CG-CG 4.05Å; A131-M135 WeakPolarHBondContact O-CB 3.5Å; A131-M135 WeakPolarHBondContact O-CG 3.49Å; A131-M135 PolarHBondContact O-N 3.42Å; R132-M135 PolarHBondContact O-N 3.17Å; M135-L138 PolarHBondContact O-N 3.49Å; M135-K139 WeakPolarHBondContact O-CB 3.3Å; M135-K139 VanDerWaalsContact O-CG 3.25Å; M135-K139 WeakPolarHBondContact O-CG 3.47Å; M135-K139 PolarHBondContact O-N 3.18Å; M135-V166 HydrophobicContact SD-CG1 4.27Å; M135-I170 HydrophobicContact CE-CG1 4.33Å; M135-I170 HydrophobicContact SD-CD1 3.76Å; M135-I170 HydrophobicContact SD-CG1 3.28Å; M135-I170 WeakPolarHBondContact SD-CG1 3.43Å; M135-L173 HydrophobicContact CE-CD1 4.13Å
136	D	91.2	Very high	90.4	Very high	73 Å²	73	62.1 Å²	62.1	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-41.6	177.4	-69.3	-21.2	0	0	0	111.2	R132 Q133 F134 K139 N140	R132-D136 PolarHBondContact O-N 2.95Å; Q133-D136 PolarHBondContact O-N 2.77Å; F134-D136 VanDerWaalsContact C-N 3.34Å; F134-D136 PolarHBondContact O-N 3.49Å; D136-K139 PolarHBondContact O-N 2.88Å; D136-N140 WeakPolarHBondContact O-CB 3.43Å; D136-N140 PolarHBondContact O-N 3.28Å; D136-N140 PolarHBondContact O-ND2 2.92Å
137	N	91.6	Very high	90.5	Very high	58 Å²	58	63.2 Å²	63.2	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-44.4	175.2	-68.3	-18.9	0	0	0	111.7	M101 Q133 F134 K139 N140 S141	M101-N137 HydrophobicContact CG-CB 3.9Å; Q133-N137 WeakPolarHBondContact O-CB 3.41Å; Q133-N137 PolarHBondContact O-N 3.34Å; Q133-N137 PolarHBondContact O-ND2 2.96Å; F134-N137 PolarHBondContact O-N 2.97Å; N137-K139 PolarHBondContact O-N 3.1Å; N137-N140 PolarHBondContact O-N 3.49Å; N137-S141 VanDerWaalsContact O-CB 3.25Å; N137-S141 WeakPolarHBondContact O-CB 3.25Å; N137-S141 PolarHBondContact O-N 3.43Å
138	L	93.7	Very high	90.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.1	-34.5	-179.7	-176	64.4	0	0	0	112.3	M101 F134 M135 I170 L173 L174 H177	M101-L138 HydrophobicContact CE-CD1 3.96Å; M101-L138 HydrophobicContact SD-CB 4.09Å; M101-L138 HydrophobicContact SD-CD1 3.61Å; M101-L138 HydrophobicContact SD-CG 4.47Å; F134-L138 HydrophobicContact CE1-CD2 3.91Å; F134-L138 HydrophobicContact CZ-CD2 4.02Å; F134-L138 WeakPolarHBondContact O-CB 3.44Å; F134-L138 PolarHBondContact O-N 2.82Å; M135-L138 PolarHBondContact O-N 3.49Å; L138-I170 HydrophobicContact CD2-CG1 4.4Å; L138-L173 HydrophobicContact CD1-CB 4.36Å; L138-L173 HydrophobicContact CD2-CB 3.72Å; L138-L173 HydrophobicContact CD2-CD1 4Å; L138-L173 HydrophobicContact CG-CB 3.76Å; L138-L173 HydrophobicContact CG-CD1 4.02Å; L138-L173 HydrophobicContact CG-CG 4.45Å; L138-L174 HydrophobicContact CD1-CD2 4.15Å; L138-H177 PolarHBondContact O-CE1 3.03Å; L138-H177 PolarHBondContact O-NE2 2.85Å
139	K	92.4	Very high	90.8	Very high	109 Å²	109	66.5 Å²	66.5	47%	0.474	31%	0.308	S	S	.	.	H	α-helix	trans	-70.3	-34.3	175.7	-76.9	172	-177	171.5	0	113.4	M135 D136 N137 L173	M135-K139 WeakPolarHBondContact O-CB 3.3Å; M135-K139 VanDerWaalsContact O-CG 3.25Å; M135-K139 WeakPolarHBondContact O-CG 3.47Å; M135-K139 PolarHBondContact O-N 3.18Å; D136-K139 PolarHBondContact O-N 2.88Å; N137-K139 PolarHBondContact O-N 3.1Å; K139-L173 HydrophobicContact CG-CD1 3.7Å; K139-L173 HydrophobicContact CG-CD2 4.43Å
140	N	91	Very high	91.4	Very high	118 Å²	118	64.4 Å²	64.4	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-101.4	4.2	-172.8	-63.6	-54.3	0	0	0	113.4	D136 N137	D136-N140 WeakPolarHBondContact O-CB 3.43Å; D136-N140 PolarHBondContact O-N 3.28Å; D136-N140 PolarHBondContact O-ND2 2.92Å; N137-N140 PolarHBondContact O-N 3.49Å
141	S	89.4	Confident	91.9	Very high	21 Å²	21	64.2 Å²	64.2	15%	0.147	30%	0.296	C	S	.	.			trans	-84.9	155.7	179.7	-172.7	0	0	0	0	112	N137 Q143 H177	N137-S141 VanDerWaalsContact O-CB 3.25Å; N137-S141 WeakPolarHBondContact O-CB 3.25Å; N137-S141 PolarHBondContact O-N 3.43Å; S141-Q143 PolarHBondContact OG-N 3.42Å; S141-H177 PolarHBondContact O-NE2 2.82Å
142	Y	89.3	Confident	92.2	Very high	225 Å²	225	64.2 Å²	64.2	88%	0.882	30%	0.296	S	S	*	.			trans	-123.5	9.1	173.1	-58.8	-86.2	0	0	0	111.5
143	Q	89.4	Confident	92.6	Very high	82 Å²	82	59.1 Å²	59.1	38%	0.383	28%	0.277	S	S	.	.			trans	-72.9	145.2	-177.6	-67.9	178	-26.9	0	0	110.9	M101 V105 S141 H177	M101-Q143 VanDerWaalsContact CB-OE1 3.31Å; V105-Q143 HydrophobicContact CG2-CB 3.71Å; V105-Q143 VanDerWaalsContact CG2-CD 3.49Å; V105-Q143 HydrophobicContact CG2-CG 4.08Å; S141-Q143 PolarHBondContact OG-N 3.42Å; Q143-H177 PolarHBondContact O-CD2 3.44Å
144	K	91.6	Very high	93.1	Very high	152 Å²	152	53 Å²	53	66%	0.661	25%	0.248	S	C	*	.			trans	-91.1	142.6	175.6	-63.8	-171.1	178.7	-174	0	110.9	H177	K144-H177 CarbonylContact C-O 3.59Å; K144-H177 WeakPolarHBondContact CA-O 3.31Å
145	L	92	Very high	93.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.25	C	S	.	.			trans	-126.2	34.2	-179.1	-58	178.7	0	0	0	110.2	M101 L104 V105 N147 L148 L174 H177 G179	M101-L145 HydrophobicContact CE-CD1 4.26Å; L104-L145 HydrophobicContact CB-CD1 4.36Å; L104-L145 HydrophobicContact CB-CD2 3.96Å; L104-L145 HydrophobicContact CD1-CD1 4.3Å; V105-L145 HydrophobicContact CG2-CD2 3.94Å; L145-N147 PolarHBondContact O-N 3.33Å; L145-L148 HydrophobicContact CB-CB 4.01Å; L145-L148 HydrophobicContact CB-CD2 4.33Å; L145-L148 HydrophobicContact CD1-CD2 3.99Å; L145-L148 WeakPolarHBondContact O-CB 3.39Å; L145-L148 PolarHBondContact O-N 3.11Å; L145-L174 HydrophobicContact CD1-CD2 3.89Å; L145-H177 HydrophobicContact CB-CB 4.4Å; L145-H177 HydrophobicContact CD1-CB 3.91Å; L145-H177 HydrophobicContact CG-CB 4.03Å; L145-H177 PolarHBondContact N-O 3.22Å; L145-G179 WeakPolarHBondContact O-CA 3.39Å
146	D	88.1	Confident	93.3	Very high	77 Å²	77	53.8 Å²	53.8	41%	0.412	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.4	-166.3	-64.9	-27.7	0	0	0	115.1	G178 K180	D146-G178 WeakPolarHBondContact CA-O 3.27Å; D146-K180 VanDerWaalsContact O-CE 3.24Å; D146-K180 WeakPolarHBondContact O-CE 3.47Å; D146-K180 PolarHBondContact O-NZ 2.9Å
147	N	88.2	Confident	93.2	Very high	105 Å²	105	51.1 Å²	51.1	56%	0.561	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-5.7	-179.9	-69.1	-22.1	0	0	0	113.6	S108 L145 R149	S108-N147 VanDerWaalsContact O-CB 3.24Å; S108-N147 WeakPolarHBondContact O-CB 3.45Å; L145-N147 PolarHBondContact O-N 3.33Å; N147-R149 PolarHBondContact O-N 3.21Å
148	L	92.7	Very high	93.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.			trans	-72.7	118	-179.5	-172.9	67.7	0	0	0	110.3	L107 A115 L145 L174 K180	L107-L148 HydrophobicContact CB-CD1 3.93Å; A115-L148 HydrophobicContact CB-CD1 3.97Å; A115-L148 HydrophobicContact CB-CD2 4.36Å; A115-L148 HydrophobicContact CB-CG 4.39Å; L145-L148 HydrophobicContact CB-CB 4.01Å; L145-L148 HydrophobicContact CB-CD2 4.33Å; L145-L148 HydrophobicContact CD1-CD2 3.99Å; L145-L148 WeakPolarHBondContact O-CB 3.39Å; L145-L148 PolarHBondContact O-N 3.11Å; L148-L174 HydrophobicContact CD2-CD2 4.42Å; L148-K180 PolarHBondContact O-N 2.84Å
149	R	95.5	Very high	92.4	Very high	88 Å²	88	56.7 Å²	56.7	33%	0.332	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.6	165.9	-65.6	-66.6	-178.1	167.3	4.6	109.4	C113 V114 A115 N147 K180 F212	C113-R149 PolarHBondContact O-N 3.29Å; V114-R149 CarbonylContact C-O 3.6Å; V114-R149 WeakPolarHBondContact CA-O 3.42Å; V114-R149 HydrophobicContact CG1-CB 4.47Å; V114-R149 HydrophobicContact CG2-CB 4.06Å; A115-R149 PolarHBondContact N-O 3.49Å; N147-R149 PolarHBondContact O-N 3.21Å; R149-K180 WeakPolarHBondContact CA-O 3.5Å; R149-F212 HydrophobicContact CG-CE2 4.06Å; R149-F212 HydrophobicContact CG-CZ 3.86Å
150	F	97.1	Very high	91.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.2	179.6	80.4	-87.2	0	0	0	114.4	A115 F117 V152 L174 I175 K180 R181 L182	A115-F150 CarbonylContact O-C 3.49Å; A115-F150 WeakPolarHBondContact O-CA 3.35Å; A115-F150 VanDerWaalsContact O-CB 3.26Å; A115-F150 WeakPolarHBondContact O-CB 3.42Å; F117-F150 HydrophobicContact CE2-CB 4.33Å; F150-V152 HydrophobicContact CD2-CG2 3.75Å; F150-V152 HydrophobicContact CE2-CG2 3.8Å; F150-L174 HydrophobicContact CB-CD1 4.21Å; F150-L174 HydrophobicContact CD1-CB 4.02Å; F150-L174 HydrophobicContact CD1-CD1 4.29Å; F150-L174 HydrophobicContact CD2-CB 4.33Å; F150-L174 HydrophobicContact CD2-CD1 3.5Å; F150-L174 VanDerWaalsContact CD2-CD1 3.5Å; F150-L174 HydrophobicContact CE1-CB 3.77Å; F150-L174 HydrophobicContact CE2-CB 4.12Å; F150-L174 HydrophobicContact CE2-CD1 3.91Å; F150-L174 HydrophobicContact CG-CB 4.3Å; F150-L174 HydrophobicContact CG-CD1 3.73Å; F150-L174 HydrophobicContact CZ-CB 3.84Å; F150-L174 HydrophobicContact CZ-CD1 4.45Å; F150-I175 HydrophobicContact CE1-CG1 3.96Å; F150-I175 HydrophobicContact CZ-CD1 4.18Å; F150-I175 HydrophobicContact CZ-CG1 3.75Å; F150-K180 PolarHBondContact N-O 3.02Å; F150-K180 VanDerWaalsContact N-O 3.07Å; F150-R181 HydrophobicContact CE1-CB 4.19Å; F150-R181 HydrophobicContact CE2-CG 4.4Å; F150-R181 HydrophobicContact CZ-CB 4.01Å; F150-R181 HydrophobicContact CZ-CG 4.3Å; F150-R181 CarbonylContact O-C 3.58Å; F150-R181 WeakPolarHBondContact O-CA 3.24Å; F150-L182 PolarHBondContact O-N 3.27Å
151	A	98.2	Very high	91.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.3	167	0	0	0	0	0	110.6	A115 L116 F117 Q183 W201 L205	A115-A151 PolarHBondContact O-N 3.33Å; A115-A151 VanDerWaalsContact O-N 3.13Å; L116-A151 WeakPolarHBondContact CA-O 3.32Å; L116-A151 HydrophobicContact CD2-CB 3.81Å; F117-A151 PolarHBondContact N-O 3.05Å; A151-Q183 HydrophobicContact CB-CB 4.17Å; A151-W201 HydrophobicContact CB-CZ2 4.1Å; A151-L205 HydrophobicContact CB-CD1 4.05Å
152	V	98.6	Very high	91	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.7	-176.2	-173.7	0	0	0	0	110.3	F117 V119 F150 I170 D171 L185 T186	F117-V152 HydrophobicContact CB-CB 4.49Å; F117-V152 HydrophobicContact CB-CG1 4.23Å; F117-V152 HydrophobicContact CB-CG2 4.18Å; F117-V152 HydrophobicContact CD2-CG2 4.28Å; F117-V152 CarbonylContact O-C 3.52Å; F117-V152 WeakPolarHBondContact O-CA 3.29Å; V119-V152 HydrophobicContact CG2-CG1 4.12Å; F150-V152 HydrophobicContact CD2-CG2 3.75Å; F150-V152 HydrophobicContact CE2-CG2 3.8Å; V152-I170 HydrophobicContact CG2-CG2 4.13Å; V152-D171 HydrophobicContact CB-CB 4.35Å; V152-D171 HydrophobicContact CG2-CB 4.03Å; V152-L185 HydrophobicContact CB-CD1 3.79Å; V152-L185 HydrophobicContact CG1-CD1 3.74Å; V152-T186 PolarHBondContact O-N 3.03Å
153	F	98.7	Very high	91.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.2	164.8	-172.4	-93.6	0	0	0	109.1	F76 F117 V118 V119 L155 T186 L194 T197 F198 W201	F76-F153 HydrophobicContact CD2-CE1 4.09Å; F76-F153 HydrophobicContact CE2-CE1 4.16Å; F117-F153 PolarHBondContact O-N 3.3Å; V118-F153 WeakPolarHBondContact CA-O 3.32Å; V118-F153 HydrophobicContact CG1-CD1 4.35Å; V119-F153 PolarHBondContact N-O 3.12Å; F153-L155 HydrophobicContact CD1-CD1 3.67Å; F153-L155 HydrophobicContact CD1-CG 4.22Å; F153-L155 HydrophobicContact CE1-CD1 3.93Å; F153-L155 HydrophobicContact CE1-CG 3.95Å; F153-T186 HydrophobicContact CD2-CG2 3.95Å; F153-T186 HydrophobicContact CE2-CG2 3.77Å; F153-L194 HydrophobicContact CE1-CD1 4.18Å; F153-L194 HydrophobicContact CZ-CD1 4.23Å; F153-T197 HydrophobicContact CE2-CG2 4.13Å; F153-T197 HydrophobicContact CZ-CG2 4.41Å; F153-F198 AromaticContact CD1-CD2 3.84Å; F153-F198 HydrophobicContact CD1-CD2 3.84Å; F153-F198 HydrophobicContact CD2-CD2 4.22Å; F153-F198 HydrophobicContact CE1-CB 3.98Å; F153-F198 AromaticContact CE1-CD2 3.83Å; F153-F198 HydrophobicContact CE1-CD2 3.83Å; F153-F198 HydrophobicContact CE1-CG 4.36Å; F153-F198 HydrophobicContact CE2-CB 4.01Å; F153-F198 HydrophobicContact CE2-CD2 4.22Å; F153-F198 HydrophobicContact CG-CD2 4.04Å; F153-F198 HydrophobicContact CZ-CB 3.55Å; F153-F198 HydrophobicContact CZ-CD2 4.04Å; F153-F198 HydrophobicContact CZ-CG 4.3Å; F153-W201 HydrophobicContact CB-CD2 3.88Å; F153-W201 HydrophobicContact CB-CE3 3.93Å; F153-W201 HydrophobicContact CB-CH2 3.92Å; F153-W201 HydrophobicContact CB-CZ2 3.87Å; F153-W201 HydrophobicContact CB-CZ3 3.95Å; F153-W201 HydrophobicContact CD2-CB 3.82Å; F153-W201 AromaticContact CD2-CD2 3.71Å; F153-W201 HydrophobicContact CD2-CD2 3.71Å; F153-W201 AromaticContact CD2-CE3 3.98Å; F153-W201 HydrophobicContact CD2-CE3 3.98Å; F153-W201 AromaticContact CD2-CG 3.63Å; F153-W201 HydrophobicContact CD2-CG 3.63Å; F153-W201 HydrophobicContact CE2-CB 4.04Å; F153-W201 HydrophobicContact CE2-CG 4.34Å; F153-W201 HydrophobicContact CG-CD2 4.16Å; F153-W201 HydrophobicContact CG-CE3 4.15Å
154	G	98.3	Very high	91.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138	174.9	0	0	0	0	0	111.3	V119 N164 T186 G188	V119-G154 CarbonylContact O-C 3.53Å; V119-G154 WeakPolarHBondContact O-CA 3.38Å; G154-N164 WeakPolarHBondContact CA-OD1 3.43Å; G154-N164 PolarHBondContact O-OD1 2.61Å; G154-T186 PolarHBondContact N-O 2.95Å; G154-G188 WeakPolarHBondContact O-CA 3.46Å; G154-G188 PolarHBondContact O-N 3.35Å
155	L	97.7	Very high	91.7	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.9	166.9	-62.6	78.8	0	0	0	108.4	T72 A73 F76 V118 V119 A120 T121 F153 N164 L194	T72-L155 HydrophobicContact CG2-CD2 3.71Å; A73-L155 HydrophobicContact CB-CD1 3.93Å; A73-L155 HydrophobicContact CB-CD2 4.04Å; F76-L155 HydrophobicContact CD2-CD2 4.03Å; F76-L155 HydrophobicContact CE2-CD2 4.16Å; V118-L155 HydrophobicContact CG1-CD1 3.71Å; V119-L155 PolarHBondContact O-N 3.41Å; A120-L155 WeakPolarHBondContact CA-O 3.42Å; A120-L155 HydrophobicContact CB-CB 4.15Å; T121-L155 PolarHBondContact N-O 3.36Å; F153-L155 HydrophobicContact CD1-CD1 3.67Å; F153-L155 HydrophobicContact CD1-CG 4.22Å; F153-L155 HydrophobicContact CE1-CD1 3.93Å; F153-L155 HydrophobicContact CE1-CG 3.95Å; L155-N164 VanDerWaalsContact C-OD1 3.24Å; L155-N164 PolarHBondContact N-OD1 2.98Å; L155-N164 VanDerWaalsContact N-OD1 3.13Å; L155-L194 HydrophobicContact CD2-CD2 4.29Å; L155-L194 HydrophobicContact CG-CD1 4.26Å
156	G	94.5	Very high	92	Very high	10 Å²	10	37.7 Å²	37.7	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-174.9	176.6	0	0	0	0	0	111.7	N164 G188 D189 E190	G156-N164 PolarHBondContact N-ND2 3.12Å; G156-N164 PolarHBondContact N-OD1 2.95Å; G156-G188 PolarHBondContact N-O 2.92Å; G156-D189 CarbonylContact O-C 3.53Å; G156-D189 WeakPolarHBondContact O-CA 3.44Å; G156-E190 PolarHBondContact O-N 3.39Å
157	N	89.8	Confident	92.4	Very high	18 Å²	18	34 Å²	34	10%	0.096	17%	0.173	C	C	.	.			trans	-138.2	118.4	175.7	-179.4	-33.1	0	0	0	108.1	M159 Y160 D189 E190	N157-M159 PolarHBondContact O-N 3.47Å; N157-M159 VanDerWaalsContact O-N 3.12Å; N157-M159 VanDerWaalsContact OD1-CB 3.23Å; N157-M159 WeakPolarHBondContact OD1-CB 3.33Å; N157-M159 WeakPolarHBondContact OD1-CG 3.31Å; N157-M159 PolarHBondContact OD1-N 2.89Å; N157-Y160 HydrophobicContact CB-CD2 3.68Å; N157-Y160 HydrophobicContact CB-CE2 4.02Å; N157-Y160 PolarHBondContact O-N 2.9Å; N157-D189 WeakPolarHBondContact CA-OD1 3.47Å; N157-E190 HydrophobicContact CB-CB 4.08Å; N157-E190 PolarHBondContact ND2-OE2 3.41Å
158	S	88.9	Confident	92.9	Very high	58 Å²	58	33.2 Å²	33.2	41%	0.406	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12	-172.7	57.1	0	0	0	0	113.9	Y160 D189 V191	S158-Y160 PolarHBondContact O-N 2.93Å; S158-D189 WeakPolarHBondContact CB-OD2 3.46Å; S158-D189 PolarHBondContact N-OD1 3.3Å; S158-D189 PolarHBondContact OG-OD1 3.45Å; S158-D189 PolarHBondContact OG-OD2 3.35Å; S158-V191 WeakPolarHBondContact OG-CG2 3.39Å
159	M	80.2	Confident	93.1	Very high	116 Å²	116	34.4 Å²	34.4	57%	0.571	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.4	172	-58.4	-66.5	171.6	0	0	112.8	N157 V191	N157-M159 PolarHBondContact O-N 3.47Å; N157-M159 VanDerWaalsContact O-N 3.12Å; N157-M159 VanDerWaalsContact OD1-CB 3.23Å; N157-M159 WeakPolarHBondContact OD1-CB 3.33Å; N157-M159 WeakPolarHBondContact OD1-CG 3.31Å; N157-M159 PolarHBondContact OD1-N 2.89Å; M159-V191 HydrophobicContact CE-CG2 4.19Å; M159-V191 HydrophobicContact CG-CG1 4.1Å; M159-V191 HydrophobicContact CG-CG2 4.26Å
160	Y	78.4	Confident	93.2	Very high	76 Å²	76	30.2 Å²	30.2	30%	0.298	16%	0.158	S	C	.	.	S	Bend	trans	-93.2	142.5	176.5	-69.6	-101.8	0	0	0	111.1	N157 S158 Y162 F163 V663	N157-Y160 HydrophobicContact CB-CD2 3.68Å; N157-Y160 HydrophobicContact CB-CE2 4.02Å; N157-Y160 PolarHBondContact O-N 2.9Å; S158-Y160 PolarHBondContact O-N 2.93Å; Y160-Y162 PolarHBondContact O-N 2.82Å; Y160-F163 PolarHBondContact O-N 3.13Å; Y160-V663 HydrophobicContact CE1-CG2 3.77Å
161	T	78.8	Confident	93.3	Very high	84 Å²	84	30.8 Å²	30.8	52%	0.515	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-39.1	179.8	-51.2	0	0	0	0	112.6	F163 R654	T161-F163 PolarHBondContact O-N 2.66Å; T161-R654 PolarHBondContact OG1-NH1 2.75Å
162	Y	85.3	Confident	93.2	Very high	76 Å²	76	37.7 Å²	37.7	30%	0.298	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	51.1	-176	-61.6	-72.6	0	0	0	112.5	E124 G125 Y160 N164 A165	E124-Y162 HydrophobicContact CB-CD2 4.14Å; E124-Y162 HydrophobicContact CB-CE2 4.11Å; E124-Y162 WeakPolarHBondContact O-CD2 3.47Å; E124-Y162 WeakPolarHBondContact O-CE2 3.37Å; G125-Y162 VanDerWaalsContact CA-CB 3.48Å; Y160-Y162 PolarHBondContact O-N 2.82Å; Y162-N164 PolarHBondContact O-N 2.82Å; Y162-N164 VanDerWaalsContact O-N 3.12Å; Y162-A165 WeakPolarHBondContact O-CB 3.31Å; Y162-A165 PolarHBondContact O-N 2.88Å; Y162-A165 VanDerWaalsContact O-N 3.15Å
163	F	92.6	Very high	93.2	Very high	47 Å²	47	38.3 Å²	38.3	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	117.7	-179.5	177.4	-123.5	0	0	0	112.3	Y160 T161 A165 K168 L187 D189	Y160-F163 PolarHBondContact O-N 3.13Å; T161-F163 PolarHBondContact O-N 2.66Å; F163-A165 VanDerWaalsContact C-N 3.25Å; F163-A165 PolarHBondContact O-N 2.95Å; F163-K168 WeakPolarHBondContact O-CE 3.45Å; F163-K168 PolarHBondContact O-NZ 3.44Å; F163-L187 HydrophobicContact CE1-CB 4.05Å; F163-L187 HydrophobicContact CE1-CD1 4.18Å; F163-L187 HydrophobicContact CZ-CB 4.17Å; F163-D189 HydrophobicContact CE2-CB 3.99Å; F163-D189 HydrophobicContact CZ-CB 3.95Å
164	N	96.5	Very high	93	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	27.9	178.4	-90.2	-68.4	0	0	0	115.3	T121 G154 L155 G156 Y162 V166 G167 K168 L187 G188	T121-N164 WeakPolarHBondContact OG1-CA 3.24Å; G154-N164 WeakPolarHBondContact CA-OD1 3.43Å; G154-N164 PolarHBondContact O-OD1 2.61Å; L155-N164 VanDerWaalsContact C-OD1 3.24Å; L155-N164 PolarHBondContact N-OD1 2.98Å; L155-N164 VanDerWaalsContact N-OD1 3.13Å; G156-N164 PolarHBondContact N-ND2 3.12Å; G156-N164 PolarHBondContact N-OD1 2.95Å; Y162-N164 PolarHBondContact O-N 2.82Å; Y162-N164 VanDerWaalsContact O-N 3.12Å; N164-V166 VanDerWaalsContact C-N 3.25Å; N164-V166 PolarHBondContact O-N 3.27Å; N164-G167 PolarHBondContact O-N 3.35Å; N164-K168 WeakPolarHBondContact O-CB 3.47Å; N164-K168 WeakPolarHBondContact O-CG 3.03Å; N164-K168 PolarHBondContact O-N 3.15Å; N164-L187 HydrophobicContact CB-CB 4.49Å; N164-L187 HydrophobicContact CB-CD2 3.77Å; N164-G188 PolarHBondContact ND2-O 2.84Å
165	A	96.2	Very high	93	Very high	21 Å²	21	41.7 Å²	41.7	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-55.4	-36	-175	0	0	0	0	0	114.4	T121 Y162 F163 S169	T121-A165 HydrophobicContact CG2-CB 4.09Å; T121-A165 PolarHBondContact OG1-N 2.83Å; Y162-A165 WeakPolarHBondContact O-CB 3.31Å; Y162-A165 PolarHBondContact O-N 2.88Å; Y162-A165 VanDerWaalsContact O-N 3.15Å; F163-A165 VanDerWaalsContact C-N 3.25Å; F163-A165 PolarHBondContact O-N 2.95Å; A165-S169 VanDerWaalsContact O-CB 3.27Å; A165-S169 WeakPolarHBondContact O-CB 3.32Å; A165-S169 PolarHBondContact O-N 3.14Å; A165-S169 PolarHBondContact O-OG 2.9Å
166	V	97.2	Very high	92.8	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-73.2	-48.1	-179.1	178.3	0	0	0	0	111.1	V119 T121 E126 P127 M135 N164 K168 S169 I170	V119-V166 HydrophobicContact CB-CG1 4.39Å; V119-V166 HydrophobicContact CG2-CG1 4.46Å; T121-V166 HydrophobicContact CG2-CG2 4.04Å; T121-V166 PolarHBondContact OG1-N 2.79Å; T121-V166 VanDerWaalsContact OG1-N 3.16Å; E126-V166 VanDerWaalsContact C-CG2 3.48Å; E126-V166 VanDerWaalsContact O-CG2 3.26Å; E126-V166 WeakPolarHBondContact O-CG2 3.34Å; P127-V166 VanDerWaalsContact CA-CG2 3.48Å; P127-V166 HydrophobicContact CB-CG1 4.38Å; P127-V166 HydrophobicContact CB-CG2 4.21Å; M135-V166 HydrophobicContact SD-CG1 4.27Å; N164-V166 VanDerWaalsContact C-N 3.25Å; N164-V166 PolarHBondContact O-N 3.27Å; V166-K168 VanDerWaalsContact C-N 3.34Å; V166-K168 PolarHBondContact O-N 3.38Å; V166-S169 PolarHBondContact O-N 3.41Å; V166-I170 HydrophobicContact CG1-CD1 4.13Å; V166-I170 PolarHBondContact O-N 3.47Å
167	G	97.9	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-45.8	176.2	0	0	0	0	0	112	N164 S169 I170 D171	N164-G167 PolarHBondContact O-N 3.35Å; G167-S169 VanDerWaalsContact C-N 3.31Å; G167-S169 PolarHBondContact O-N 3.09Å; G167-I170 PolarHBondContact O-N 3.07Å; G167-D171 WeakPolarHBondContact O-CB 3.46Å; G167-D171 PolarHBondContact O-N 3.4Å; G167-D171 VanDerWaalsContact O-N 3.09Å
168	K	98.3	Very high	93.1	Very high	88 Å²	88	48.1 Å²	48.1	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-59.7	-39.2	173.3	-70.1	169.9	178.2	169.3	0	112.6	F163 N164 V166 R172 L185 L187	F163-K168 WeakPolarHBondContact O-CE 3.45Å; F163-K168 PolarHBondContact O-NZ 3.44Å; N164-K168 WeakPolarHBondContact O-CB 3.47Å; N164-K168 WeakPolarHBondContact O-CG 3.03Å; N164-K168 PolarHBondContact O-N 3.15Å; V166-K168 VanDerWaalsContact C-N 3.34Å; V166-K168 PolarHBondContact O-N 3.38Å; K168-R172 WeakPolarHBondContact O-CB 3.38Å; K168-R172 PolarHBondContact O-N 3.43Å; K168-R172 VanDerWaalsContact O-N 3.14Å; K168-L185 HydrophobicContact CB-CD2 4.41Å; K168-L185 HydrophobicContact CG-CD2 3.94Å; K168-L187 HydrophobicContact CG-CD2 4.18Å
169	S	97.3	Very high	93.4	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-45	-179.2	-64.9	0	0	0	0	112.4	A165 V166 G167 R172 L173	A165-S169 VanDerWaalsContact O-CB 3.27Å; A165-S169 WeakPolarHBondContact O-CB 3.32Å; A165-S169 PolarHBondContact O-N 3.14Å; A165-S169 PolarHBondContact O-OG 2.9Å; V166-S169 PolarHBondContact O-N 3.41Å; G167-S169 VanDerWaalsContact C-N 3.31Å; G167-S169 PolarHBondContact O-N 3.09Å; S169-R172 PolarHBondContact O-N 2.71Å; S169-L173 VanDerWaalsContact O-CB 3.31Å; S169-L173 WeakPolarHBondContact O-CB 3.35Å; S169-L173 WeakPolarHBondContact O-CD1 3.49Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 3.31Å
170	I	97.6	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-49.8	177.3	-71.1	177.8	0	0	0	110.2	F117 V119 F134 M135 L138 V152 V166 G167 R172 L173 L174	F117-I170 HydrophobicContact CB-CG2 4.5Å; F117-I170 HydrophobicContact CD1-CG2 4.24Å; F117-I170 HydrophobicContact CD2-CG2 4.4Å; F117-I170 HydrophobicContact CG-CG2 4.13Å; V119-I170 HydrophobicContact CB-CD1 4.34Å; V119-I170 HydrophobicContact CG1-CD1 3.83Å; V119-I170 HydrophobicContact CG2-CD1 4.14Å; F134-I170 HydrophobicContact CD1-CD1 4.37Å; F134-I170 HydrophobicContact CE1-CD1 3.95Å; F134-I170 HydrophobicContact CE1-CG1 4.21Å; M135-I170 HydrophobicContact CE-CG1 4.33Å; M135-I170 HydrophobicContact SD-CD1 3.76Å; M135-I170 HydrophobicContact SD-CG1 3.28Å; M135-I170 WeakPolarHBondContact SD-CG1 3.43Å; L138-I170 HydrophobicContact CD2-CG1 4.4Å; V152-I170 HydrophobicContact CG2-CG2 4.13Å; V166-I170 HydrophobicContact CG1-CD1 4.13Å; V166-I170 PolarHBondContact O-N 3.47Å; G167-I170 PolarHBondContact O-N 3.07Å; I170-R172 VanDerWaalsContact C-N 3.34Å; I170-R172 PolarHBondContact O-N 3.16Å; I170-L173 PolarHBondContact O-N 3.38Å; I170-L174 HydrophobicContact CG2-CD1 3.62Å; I170-L174 HydrophobicContact CG2-CG 4.19Å; I170-L174 WeakPolarHBondContact O-CB 3.34Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.28Å
171	D	98.2	Very high	94.9	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.064	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-46.3	179.4	174.1	82.4	0	0	0	112.4	V152 G167 I175 R181 L185	V152-D171 HydrophobicContact CB-CB 4.35Å; V152-D171 HydrophobicContact CG2-CB 4.03Å; G167-D171 WeakPolarHBondContact O-CB 3.46Å; G167-D171 PolarHBondContact O-N 3.4Å; G167-D171 VanDerWaalsContact O-N 3.09Å; D171-I175 WeakPolarHBondContact O-CG1 3.35Å; D171-I175 PolarHBondContact O-N 2.97Å; D171-R181 VanDerWaalsContact CG-NH2 3.26Å; D171-R181 IonicContact OD1-CZ 3.57Å; D171-R181 IonicContact OD1-NE 3.36Å; D171-R181 PolarHBondContact OD1-NE 3.37Å; D171-R181 IonicContact OD1-NH2 2.77Å; D171-R181 PolarHBondContact OD1-NH2 3.37Å; D171-R181 VanDerWaalsContact OD1-NH2 3.13Å; D171-R181 IonicContact OD2-CZ 3.72Å; D171-R181 IonicContact OD2-NE 3.64Å; D171-R181 IonicContact OD2-NH2 2.96Å; D171-R181 PolarHBondContact OD2-NH2 2.94Å; D171-L185 HydrophobicContact CB-CB 4.39Å; D171-L185 HydrophobicContact CB-CD1 4.23Å; D171-L185 HydrophobicContact CB-CD2 4.04Å; D171-L185 HydrophobicContact CB-CG 4.45Å
172	R	97.4	Very high	95.7	Very high	144 Å²	144	43.2 Å²	43.2	54%	0.543	20%	0.204	S	C	.	.	H	α-helix	trans	-64.6	-46.2	175.8	-179	-178.7	61.6	178.6	-3.3	112.6	K168 S169 I170 I175 Q176	K168-R172 WeakPolarHBondContact O-CB 3.38Å; K168-R172 PolarHBondContact O-N 3.43Å; K168-R172 VanDerWaalsContact O-N 3.14Å; S169-R172 PolarHBondContact O-N 2.71Å; I170-R172 VanDerWaalsContact C-N 3.34Å; I170-R172 PolarHBondContact O-N 3.16Å; R172-I175 PolarHBondContact O-N 2.83Å; R172-Q176 WeakPolarHBondContact O-CG 3.2Å; R172-Q176 PolarHBondContact O-N 3.19Å; R172-Q176 VanDerWaalsContact O-N 3.08Å
173	L	96.7	Very high	96.3	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-41.2	-176.4	-74.1	164.9	0	0	0	111.4	M135 L138 K139 S169 I170 I175 Q176 H177	M135-L173 HydrophobicContact CE-CD1 4.13Å; L138-L173 HydrophobicContact CD1-CB 4.36Å; L138-L173 HydrophobicContact CD2-CB 3.72Å; L138-L173 HydrophobicContact CD2-CD1 4Å; L138-L173 HydrophobicContact CG-CB 3.76Å; L138-L173 HydrophobicContact CG-CD1 4.02Å; L138-L173 HydrophobicContact CG-CG 4.45Å; K139-L173 HydrophobicContact CG-CD1 3.7Å; K139-L173 HydrophobicContact CG-CD2 4.43Å; S169-L173 VanDerWaalsContact O-CB 3.31Å; S169-L173 WeakPolarHBondContact O-CB 3.35Å; S169-L173 WeakPolarHBondContact O-CD1 3.49Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 3.31Å; I170-L173 PolarHBondContact O-N 3.38Å; L173-I175 VanDerWaalsContact C-N 3.28Å; L173-I175 PolarHBondContact O-N 3.17Å; L173-Q176 WeakPolarHBondContact O-CB 3.44Å; L173-Q176 PolarHBondContact O-N 2.96Å; L173-Q176 VanDerWaalsContact O-N 3.12Å; L173-H177 PolarHBondContact O-N 3.46Å; L173-H177 PolarHBondContact O-ND1 2.86Å
174	L	96.4	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-38.7	177.1	-71.8	171.8	0	0	0	111.9	L104 F117 L138 L145 L148 F150 I170 H177 G178 G179	L104-L174 HydrophobicContact CD1-CD2 4.04Å; F117-L174 HydrophobicContact CD2-CD1 3.92Å; F117-L174 HydrophobicContact CE2-CD1 3.47Å; F117-L174 VanDerWaalsContact CE2-CD1 3.47Å; F117-L174 HydrophobicContact CZ-CD1 4Å; L138-L174 HydrophobicContact CD1-CD2 4.15Å; L145-L174 HydrophobicContact CD1-CD2 3.89Å; L148-L174 HydrophobicContact CD2-CD2 4.42Å; F150-L174 HydrophobicContact CB-CD1 4.21Å; F150-L174 HydrophobicContact CD1-CB 4.02Å; F150-L174 HydrophobicContact CD1-CD1 4.29Å; F150-L174 HydrophobicContact CD2-CB 4.33Å; F150-L174 HydrophobicContact CD2-CD1 3.5Å; F150-L174 VanDerWaalsContact CD2-CD1 3.5Å; F150-L174 HydrophobicContact CE1-CB 3.77Å; F150-L174 HydrophobicContact CE2-CB 4.12Å; F150-L174 HydrophobicContact CE2-CD1 3.91Å; F150-L174 HydrophobicContact CG-CB 4.3Å; F150-L174 HydrophobicContact CG-CD1 3.73Å; F150-L174 HydrophobicContact CZ-CB 3.84Å; F150-L174 HydrophobicContact CZ-CD1 4.45Å; I170-L174 HydrophobicContact CG2-CD1 3.62Å; I170-L174 HydrophobicContact CG2-CG 4.19Å; I170-L174 WeakPolarHBondContact O-CB 3.34Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.28Å; L174-H177 PolarHBondContact O-N 2.93Å; L174-G178 PolarHBondContact O-N 2.88Å; L174-G179 WeakPolarHBondContact O-CA 3.47Å; L174-G179 PolarHBondContact O-N 3.33Å
175	I	96.4	Very high	96.5	Very high	70 Å²	70	45.1 Å²	45.1	36%	0.359	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-42.3	173.8	-70.9	168.4	0	0	0	111.7	F150 D171 R172 L173 H177 G178	F150-I175 HydrophobicContact CE1-CG1 3.96Å; F150-I175 HydrophobicContact CZ-CD1 4.18Å; F150-I175 HydrophobicContact CZ-CG1 3.75Å; D171-I175 WeakPolarHBondContact O-CG1 3.35Å; D171-I175 PolarHBondContact O-N 2.97Å; R172-I175 PolarHBondContact O-N 2.83Å; L173-I175 VanDerWaalsContact C-N 3.28Å; L173-I175 PolarHBondContact O-N 3.17Å; I175-H177 PolarHBondContact O-N 3.47Å; I175-G178 PolarHBondContact O-N 2.9Å
176	Q	95.3	Very high	96.6	Very high	130 Å²	130	45.7 Å²	45.7	61%	0.607	23%	0.226	S	C	*	.	H	α-helix	trans	-60.9	-29.4	176.5	-73.3	175.9	-21.1	0	0	112.4	R172 L173 G178	R172-Q176 WeakPolarHBondContact O-CG 3.2Å; R172-Q176 PolarHBondContact O-N 3.19Å; R172-Q176 VanDerWaalsContact O-N 3.08Å; L173-Q176 WeakPolarHBondContact O-CB 3.44Å; L173-Q176 PolarHBondContact O-N 2.96Å; L173-Q176 VanDerWaalsContact O-N 3.12Å; Q176-G178 VanDerWaalsContact C-N 3.3Å
177	H	94.5	Very high	96.7	Very high	19 Å²	19	48.3 Å²	48.3	9%	0.088	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.8	174.5	-67.2	71	0	0	0	113.1	L138 S141 Q143 K144 L145 L173 L174 I175	L138-H177 PolarHBondContact O-CE1 3.03Å; L138-H177 PolarHBondContact O-NE2 2.85Å; S141-H177 PolarHBondContact O-NE2 2.82Å; Q143-H177 PolarHBondContact O-CD2 3.44Å; K144-H177 CarbonylContact C-O 3.59Å; K144-H177 WeakPolarHBondContact CA-O 3.31Å; L145-H177 HydrophobicContact CB-CB 4.4Å; L145-H177 HydrophobicContact CD1-CB 3.91Å; L145-H177 HydrophobicContact CG-CB 4.03Å; L145-H177 PolarHBondContact N-O 3.22Å; L173-H177 PolarHBondContact O-N 3.46Å; L173-H177 PolarHBondContact O-ND1 2.86Å; L174-H177 PolarHBondContact O-N 2.93Å; I175-H177 PolarHBondContact O-N 3.47Å
178	G	94.7	Very high	96.6	Very high	25 Å²	25	48.3 Å²	48.3	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	-2.7	178.1	0	0	0	0	0	115.3	D146 L174 I175 Q176	D146-G178 WeakPolarHBondContact CA-O 3.27Å; L174-G178 PolarHBondContact O-N 2.88Å; I175-G178 PolarHBondContact O-N 2.9Å; Q176-G178 VanDerWaalsContact C-N 3.3Å
179	G	94.7	Very high	96.4	Very high	7 Å²	7	44.9 Å²	44.9	7%	0.072	23%	0.225	C	C	.	.			trans	-61.3	143.7	177.4	0	0	0	0	0	112.5	L145 L174	L145-G179 WeakPolarHBondContact O-CA 3.39Å; L174-G179 WeakPolarHBondContact O-CA 3.47Å; L174-G179 PolarHBondContact O-N 3.33Å
180	K	95.5	Very high	96	Very high	94 Å²	94	49.7 Å²	49.7	41%	0.409	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.2	-177	-68.4	170.6	-175.1	153.6	0	110.3	D146 L148 R149 F150 L182	D146-K180 VanDerWaalsContact O-CE 3.24Å; D146-K180 WeakPolarHBondContact O-CE 3.47Å; D146-K180 PolarHBondContact O-NZ 2.9Å; L148-K180 PolarHBondContact O-N 2.84Å; R149-K180 WeakPolarHBondContact CA-O 3.5Å; F150-K180 PolarHBondContact N-O 3.02Å; F150-K180 VanDerWaalsContact N-O 3.07Å; K180-L182 PolarHBondContact O-N 3.47Å
181	R	96.4	Very high	95.3	Very high	98 Å²	98	52.4 Å²	52.4	37%	0.37	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	126.9	178	-166.9	-177	-64.5	116.1	-15.5	110.6	F150 D171 Q183	F150-R181 HydrophobicContact CE1-CB 4.19Å; F150-R181 HydrophobicContact CE2-CG 4.4Å; F150-R181 HydrophobicContact CZ-CB 4.01Å; F150-R181 HydrophobicContact CZ-CG 4.3Å; F150-R181 CarbonylContact O-C 3.58Å; F150-R181 WeakPolarHBondContact O-CA 3.24Å; D171-R181 VanDerWaalsContact CG-NH2 3.26Å; D171-R181 IonicContact OD1-CZ 3.57Å; D171-R181 IonicContact OD1-NE 3.36Å; D171-R181 PolarHBondContact OD1-NE 3.37Å; D171-R181 IonicContact OD1-NH2 2.77Å; D171-R181 PolarHBondContact OD1-NH2 3.37Å; D171-R181 VanDerWaalsContact OD1-NH2 3.13Å; D171-R181 IonicContact OD2-CZ 3.72Å; D171-R181 IonicContact OD2-NE 3.64Å; D171-R181 IonicContact OD2-NH2 2.96Å; D171-R181 PolarHBondContact OD2-NH2 2.94Å; R181-Q183 WeakPolarHBondContact CD-O 3.4Å; R181-Q183 WeakPolarHBondContact CG-O 3.43Å
182	L	95.4	Very high	94.5	Very high	32 Å²	32	56.7 Å²	56.7	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-40.7	173.6	-175.7	67.7	0	0	0	111.2	V114 F150 K180 L205 L209 F212	V114-L182 HydrophobicContact CG1-CD2 3.97Å; F150-L182 PolarHBondContact O-N 3.27Å; K180-L182 PolarHBondContact O-N 3.47Å; L182-L205 HydrophobicContact CD2-CD1 4.11Å; L182-L209 HydrophobicContact CD2-CD2 3.6Å; L182-L209 HydrophobicContact CD2-CG 4.29Å; L182-F212 HydrophobicContact CD1-CD2 4.39Å
183	Q	96.3	Very high	93.7	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.9	178.8	-179.2	175.2	-15	0	0	110.8	A151 R181 L185 W201 L205 L208	A151-Q183 HydrophobicContact CB-CB 4.17Å; R181-Q183 WeakPolarHBondContact CD-O 3.4Å; R181-Q183 WeakPolarHBondContact CG-O 3.43Å; Q183-L185 PolarHBondContact O-N 2.92Å; Q183-W201 PolarHBondContact NE2-O 3.46Å; Q183-L205 VanDerWaalsContact OE1-N 3.14Å; Q183-L208 HydrophobicContact CB-CD1 3.88Å; Q183-L208 HydrophobicContact CG-CD1 4.22Å
184	T	97	Very high	93.4	Very high	109 Å²	109	54.1 Å²	54.1	67%	0.669	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-48.6	134.4	176.6	-54.8	0	0	0	0	112.1	T186	T184-T186 PolarHBondContact O-N 3.43Å; T184-T186 PolarHBondContact O-OG1 3.4Å
185	L	97.9	Very high	92.9	Very high	33 Å²	33	56.5 Å²	56.5	17%	0.173	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	123.8	172.7	169.2	65.2	0	0	0	109.7	V152 K168 D171 Q183 L187	V152-L185 HydrophobicContact CB-CD1 3.79Å; V152-L185 HydrophobicContact CG1-CD1 3.74Å; K168-L185 HydrophobicContact CB-CD2 4.41Å; K168-L185 HydrophobicContact CG-CD2 3.94Å; D171-L185 HydrophobicContact CB-CB 4.39Å; D171-L185 HydrophobicContact CB-CD1 4.23Å; D171-L185 HydrophobicContact CB-CD2 4.04Å; D171-L185 HydrophobicContact CB-CG 4.45Å; Q183-L185 PolarHBondContact O-N 2.92Å; L185-L187 HydrophobicContact CD1-CD2 3.96Å; L185-L187 HydrophobicContact CD2-CD2 3.78Å; L185-L187 HydrophobicContact CG-CD2 3.68Å
186	T	98.2	Very high	92.3	Very high	33 Å²	33	53.7 Å²	53.7	20%	0.202	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.3	176	-61.8	0	0	0	0	110.2	V152 F153 G154 T184 T197 W201	V152-T186 PolarHBondContact O-N 3.03Å; F153-T186 HydrophobicContact CD2-CG2 3.95Å; F153-T186 HydrophobicContact CE2-CG2 3.77Å; G154-T186 PolarHBondContact N-O 2.95Å; T184-T186 PolarHBondContact O-N 3.43Å; T184-T186 PolarHBondContact O-OG1 3.4Å; T186-T197 HydrophobicContact CG2-CG2 3.75Å; T186-W201 HydrophobicContact CG2-CB 4.2Å; T186-W201 HydrophobicContact CG2-CG 4.46Å
187	L	97.9	Very high	92.2	Very high	58 Å²	58	49.4 Å²	49.4	30%	0.304	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	92.7	-173.7	-54.2	-174.4	0	0	0	109.6	F163 N164 K168 L185	F163-L187 HydrophobicContact CE1-CB 4.05Å; F163-L187 HydrophobicContact CE1-CD1 4.18Å; F163-L187 HydrophobicContact CZ-CB 4.17Å; N164-L187 HydrophobicContact CB-CB 4.49Å; N164-L187 HydrophobicContact CB-CD2 3.77Å; K168-L187 HydrophobicContact CG-CD2 4.18Å; L185-L187 HydrophobicContact CD1-CD2 3.96Å; L185-L187 HydrophobicContact CD2-CD2 3.78Å; L185-L187 HydrophobicContact CG-CD2 3.68Å
188	G	96.4	Very high	92.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.5	172.9	0	0	0	0	0	111.7	G154 G156 N164	G154-G188 WeakPolarHBondContact O-CA 3.46Å; G154-G188 PolarHBondContact O-N 3.35Å; G156-G188 PolarHBondContact N-O 2.92Å; N164-G188 PolarHBondContact ND2-O 2.84Å
189	D	94.1	Very high	91.9	Very high	16 Å²	16	49 Å²	49	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.3	-178.9	-170.3	4.2	0	0	0	111.3	G156 N157 S158 F163 V191 N192 L194	G156-D189 CarbonylContact O-C 3.53Å; G156-D189 WeakPolarHBondContact O-CA 3.44Å; N157-D189 WeakPolarHBondContact CA-OD1 3.47Å; S158-D189 WeakPolarHBondContact CB-OD2 3.46Å; S158-D189 PolarHBondContact N-OD1 3.3Å; S158-D189 PolarHBondContact OG-OD1 3.45Å; S158-D189 PolarHBondContact OG-OD2 3.35Å; F163-D189 HydrophobicContact CE2-CB 3.99Å; F163-D189 HydrophobicContact CZ-CB 3.95Å; D189-V191 PolarHBondContact O-N 2.89Å; D189-V191 VanDerWaalsContact OD1-CG2 3.24Å; D189-V191 WeakPolarHBondContact OD1-CG2 3.2Å; D189-V191 PolarHBondContact OD1-N 3.03Å; D189-V191 WeakPolarHBondContact OD2-CG2 3.28Å; D189-N192 HydrophobicContact CB-CB 4.03Å; D189-N192 CarbonylContact O-C 3.59Å; D189-N192 VanDerWaalsContact O-C 3.26Å; D189-N192 PolarHBondContact O-N 2.97Å; D189-N192 VanDerWaalsContact O-O 3.1Å; D189-L194 WeakPolarHBondContact O-CB 3.34Å; D189-L194 PolarHBondContact O-N 3.42Å
190	E	88.1	Confident	91.6	Very high	128 Å²	128	52.7 Å²	52.7	60%	0.598	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.6	180	-173.5	179.4	-155.2	0	0	112.9	G156 N157	G156-E190 PolarHBondContact O-N 3.39Å; N157-E190 HydrophobicContact CB-CB 4.08Å; N157-E190 PolarHBondContact ND2-OE2 3.41Å
191	V	83.2	Confident	91.6	Very high	56 Å²	56	48.4 Å²	48.4	34%	0.339	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.8	177.8	-64.2	0	0	0	0	113.4	S158 M159 D189	S158-V191 WeakPolarHBondContact OG-CG2 3.39Å; M159-V191 HydrophobicContact CE-CG2 4.19Å; M159-V191 HydrophobicContact CG-CG1 4.1Å; M159-V191 HydrophobicContact CG-CG2 4.26Å; D189-V191 PolarHBondContact O-N 2.89Å; D189-V191 VanDerWaalsContact OD1-CG2 3.24Å; D189-V191 WeakPolarHBondContact OD1-CG2 3.2Å; D189-V191 PolarHBondContact OD1-N 3.03Å; D189-V191 WeakPolarHBondContact OD2-CG2 3.28Å
192	N	82.8	Confident	91.5	Very high	102 Å²	102	46.3 Å²	46.3	55%	0.545	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-138.8	87	-176.2	-169.3	22.1	0	0	0	111.6	D189 L194	D189-N192 HydrophobicContact CB-CB 4.03Å; D189-N192 CarbonylContact O-C 3.59Å; D189-N192 VanDerWaalsContact O-C 3.26Å; D189-N192 PolarHBondContact O-N 2.97Å; D189-N192 VanDerWaalsContact O-O 3.1Å; N192-L194 PolarHBondContact O-N 2.86Å
193	E	80.8	Confident	91.2	Very high	79 Å²	79	46.9 Å²	46.9	37%	0.369	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	50.7	46.2	170.7	-58.6	-165.9	138.7	0	0	115.5	E195 S196 T197 K399	E193-E195 VanDerWaalsContact C-N 3.32Å; E193-E195 PolarHBondContact O-N 3.23Å; E193-S196 PolarHBondContact O-N 2.91Å; E193-T197 WeakPolarHBondContact O-CB 3.24Å; E193-T197 PolarHBondContact O-N 3.09Å; E193-T197 PolarHBondContact O-OG1 2.96Å; E193-K399 VanDerWaalsContact OE1-CD 3.26Å; E193-K399 WeakPolarHBondContact OE1-CD 3.19Å; E193-K399 IonicContact OE1-NZ 2.69Å; E193-K399 PolarHBondContact OE1-NZ 2.94Å; E193-K399 IonicContact OE2-NZ 2.74Å; E193-K399 PolarHBondContact OE2-NZ 2.79Å
194	L	89.5	Confident	91	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.131	27%	0.27	C	S	.	.	H	α-helix	trans	-50.5	-46.8	179.3	-179.8	60.7	0	0	0	113.8	T72 F76 F153 L155 D189 N192 T197 F198	T72-L194 HydrophobicContact CG2-CD2 4.2Å; F76-L194 HydrophobicContact CE2-CD1 4.29Å; F76-L194 HydrophobicContact CE2-CD2 4.35Å; F76-L194 HydrophobicContact CE2-CG 3.93Å; F76-L194 HydrophobicContact CZ-CG 4.17Å; F153-L194 HydrophobicContact CE1-CD1 4.18Å; F153-L194 HydrophobicContact CZ-CD1 4.23Å; L155-L194 HydrophobicContact CD2-CD2 4.29Å; L155-L194 HydrophobicContact CG-CD1 4.26Å; D189-L194 WeakPolarHBondContact O-CB 3.34Å; D189-L194 PolarHBondContact O-N 3.42Å; N192-L194 PolarHBondContact O-N 2.86Å; L194-T197 PolarHBondContact O-N 3.32Å; L194-F198 WeakPolarHBondContact O-CB 3.45Å; L194-F198 PolarHBondContact O-N 3.05Å
195	E	85.5	Confident	90.9	Very high	51 Å²	51	46.1 Å²	46.1	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-48	-177.9	-170.4	177.6	172.7	0	0	111.4	F76 E193 T197 F198 L199 G368 S370	F76-E195 HydrophobicContact CZ-CB 4.49Å; E193-E195 VanDerWaalsContact C-N 3.32Å; E193-E195 PolarHBondContact O-N 3.23Å; E195-T197 VanDerWaalsContact C-N 3.32Å; E195-T197 PolarHBondContact O-N 3.42Å; E195-F198 WeakPolarHBondContact O-CB 3.29Å; E195-F198 PolarHBondContact O-N 3.42Å; E195-F198 VanDerWaalsContact O-N 3.17Å; E195-L199 HydrophobicContact CG-CD1 4.33Å; E195-L199 WeakPolarHBondContact O-CG 3.39Å; E195-L199 PolarHBondContact O-N 2.66Å; E195-G368 WeakPolarHBondContact OE2-CA 3.5Å; E195-S370 VanDerWaalsContact OE1-CB 3.28Å; E195-S370 WeakPolarHBondContact OE1-CB 3.28Å; E195-S370 PolarHBondContact OE1-N 3.27Å; E195-S370 VanDerWaalsContact OE1-N 3.16Å; E195-S370 PolarHBondContact OE1-OG 3.26Å
196	S	85	Confident	90.6	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-39.6	176.7	-63.5	0	0	0	0	112.1	E193 F198 L199 N200	E193-S196 PolarHBondContact O-N 2.91Å; S196-F198 VanDerWaalsContact C-N 3.3Å; S196-F198 PolarHBondContact O-N 3.21Å; S196-L199 PolarHBondContact O-N 2.51Å; S196-N200 PolarHBondContact O-N 3.3Å; S196-N200 PolarHBondContact O-ND2 3.41Å
197	T	92	Very high	90.2	Very high	40 Å²	40	45.6 Å²	45.6	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-42	175.1	-56.2	0	0	0	0	111.3	F153 T186 E193 L194 E195 W201	F153-T197 HydrophobicContact CE2-CG2 4.13Å; F153-T197 HydrophobicContact CZ-CG2 4.41Å; T186-T197 HydrophobicContact CG2-CG2 3.75Å; E193-T197 WeakPolarHBondContact O-CB 3.24Å; E193-T197 PolarHBondContact O-N 3.09Å; E193-T197 PolarHBondContact O-OG1 2.96Å; L194-T197 PolarHBondContact O-N 3.32Å; E195-T197 VanDerWaalsContact C-N 3.32Å; E195-T197 PolarHBondContact O-N 3.42Å; T197-W201 WeakPolarHBondContact O-CB 3.47Å; T197-W201 PolarHBondContact O-N 3.3Å
198	F	93.3	Very high	89.9	Confident	4 Å²	4	46 Å²	46	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-44	175.2	175.2	-103.4	0	0	0	112.7	F76 L80 F153 L194 E195 S196 N200 W201 R202	F76-F198 HydrophobicContact CB-CD1 4.34Å; F76-F198 HydrophobicContact CB-CD2 4.07Å; F76-F198 HydrophobicContact CB-CE1 3.96Å; F76-F198 HydrophobicContact CB-CE2 3.67Å; F76-F198 HydrophobicContact CB-CG 4.39Å; F76-F198 HydrophobicContact CB-CZ 3.61Å; F76-F198 AromaticContact CD1-CD1 3.99Å; F76-F198 HydrophobicContact CD1-CD1 3.99Å; F76-F198 HydrophobicContact CD1-CE1 4.14Å; F76-F198 HydrophobicContact CD1-CG 4.36Å; F76-F198 HydrophobicContact CD2-CB 3.89Å; F76-F198 AromaticContact CD2-CD1 3.97Å; F76-F198 HydrophobicContact CD2-CD1 3.97Å; F76-F198 AromaticContact CD2-CD2 3.57Å; F76-F198 HydrophobicContact CD2-CD2 3.57Å; F76-F198 HydrophobicContact CD2-CE1 4.44Å; F76-F198 HydrophobicContact CD2-CE2 4.08Å; F76-F198 AromaticContact CD2-CG 3.5Å; F76-F198 HydrophobicContact CD2-CG 3.5Å; F76-F198 HydrophobicContact CD2-CZ 4.49Å; F76-F198 HydrophobicContact CE1-CD1 4.25Å; F76-F198 HydrophobicContact CE2-CB 3.6Å; F76-F198 HydrophobicContact CE2-CD1 4.24Å; F76-F198 HydrophobicContact CE2-CD2 4.19Å; F76-F198 AromaticContact CE2-CG 3.74Å; F76-F198 HydrophobicContact CE2-CG 3.74Å; F76-F198 AromaticContact CG-CD1 3.84Å; F76-F198 HydrophobicContact CG-CD1 3.84Å; F76-F198 AromaticContact CG-CD2 3.96Å; F76-F198 HydrophobicContact CG-CD2 3.96Å; F76-F198 AromaticContact CG-CE1 3.94Å; F76-F198 HydrophobicContact CG-CE1 3.94Å; F76-F198 HydrophobicContact CG-CE2 4.05Å; F76-F198 AromaticContact CG-CG 3.85Å; F76-F198 HydrophobicContact CG-CG 3.85Å; F76-F198 HydrophobicContact CG-CZ 4.05Å; F76-F198 HydrophobicContact CZ-CB 4.09Å; F76-F198 HydrophobicContact CZ-CD1 4.37Å; F76-F198 HydrophobicContact CZ-CG 4.27Å; F76-F198 VanDerWaalsContact O-CZ 3.22Å; F76-F198 WeakPolarHBondContact O-CZ 3.41Å; L80-F198 HydrophobicContact CB-CZ 4.19Å; F153-F198 AromaticContact CD1-CD2 3.84Å; F153-F198 HydrophobicContact CD1-CD2 3.84Å; F153-F198 HydrophobicContact CD2-CD2 4.22Å; F153-F198 HydrophobicContact CE1-CB 3.98Å; F153-F198 AromaticContact CE1-CD2 3.83Å; F153-F198 HydrophobicContact CE1-CD2 3.83Å; F153-F198 HydrophobicContact CE1-CG 4.36Å; F153-F198 HydrophobicContact CE2-CB 4.01Å; F153-F198 HydrophobicContact CE2-CD2 4.22Å; F153-F198 HydrophobicContact CG-CD2 4.04Å; F153-F198 HydrophobicContact CZ-CB 3.55Å; F153-F198 HydrophobicContact CZ-CD2 4.04Å; F153-F198 HydrophobicContact CZ-CG 4.3Å; L194-F198 WeakPolarHBondContact O-CB 3.45Å; L194-F198 PolarHBondContact O-N 3.05Å; E195-F198 WeakPolarHBondContact O-CB 3.29Å; E195-F198 PolarHBondContact O-N 3.42Å; E195-F198 VanDerWaalsContact O-N 3.17Å; S196-F198 VanDerWaalsContact C-N 3.3Å; S196-F198 PolarHBondContact O-N 3.21Å; F198-N200 PolarHBondContact O-N 3.11Å; F198-W201 HydrophobicContact CD2-CE3 4.02Å; F198-W201 HydrophobicContact CD2-CZ3 4.38Å; F198-W201 AromaticContact CE2-CE3 3.86Å; F198-W201 HydrophobicContact CE2-CE3 3.86Å; F198-W201 AromaticContact CE2-CZ3 3.81Å; F198-W201 HydrophobicContact CE2-CZ3 3.81Å; F198-W201 PolarHBondContact O-N 2.88Å; F198-R202 WeakPolarHBondContact O-CB 3.19Å; F198-R202 PolarHBondContact O-N 3.44Å
199	L	88.9	Confident	89.7	Confident	31 Å²	31	46 Å²	46	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-43.3	178.6	-69.1	173.7	0	0	0	111.6	E195 S196 R202 S203	E195-L199 HydrophobicContact CG-CD1 4.33Å; E195-L199 WeakPolarHBondContact O-CG 3.39Å; E195-L199 PolarHBondContact O-N 2.66Å; S196-L199 PolarHBondContact O-N 2.51Å; L199-R202 WeakPolarHBondContact O-CB 3.27Å; L199-R202 PolarHBondContact O-N 3.29Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 3.26Å
200	N	90.4	Very high	89.4	Confident	85 Å²	85	45.7 Å²	45.7	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-46.9	174.3	-74.8	-23.2	0	0	0	111.6	S196 F198 R202 S203 H204	S196-N200 PolarHBondContact O-N 3.3Å; S196-N200 PolarHBondContact O-ND2 3.41Å; F198-N200 PolarHBondContact O-N 3.11Å; N200-R202 VanDerWaalsContact C-N 3.31Å; N200-R202 PolarHBondContact O-N 2.9Å; N200-S203 PolarHBondContact O-N 3.02Å; N200-H204 PolarHBondContact O-N 3.44Å; N200-H204 PolarHBondContact O-ND1 3.19Å
201	W	95.2	Very high	89.4	Confident	5 Å²	5	44 Å²	44	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-45.4	176.3	175.3	78.6	0	0	0	111.8	L80 V118 A151 F153 Q183 T186 T197 F198 H204 L205	L80-W201 HydrophobicContact CD1-CZ3 4.5Å; L80-W201 HydrophobicContact CD2-CH2 3.98Å; L80-W201 HydrophobicContact CD2-CZ3 3.8Å; V118-W201 HydrophobicContact CG2-CH2 4.46Å; V118-W201 HydrophobicContact CG2-CZ3 4.49Å; A151-W201 HydrophobicContact CB-CZ2 4.1Å; F153-W201 HydrophobicContact CB-CD2 3.88Å; F153-W201 HydrophobicContact CB-CE3 3.93Å; F153-W201 HydrophobicContact CB-CH2 3.92Å; F153-W201 HydrophobicContact CB-CZ2 3.87Å; F153-W201 HydrophobicContact CB-CZ3 3.95Å; F153-W201 HydrophobicContact CD2-CB 3.82Å; F153-W201 AromaticContact CD2-CD2 3.71Å; F153-W201 HydrophobicContact CD2-CD2 3.71Å; F153-W201 AromaticContact CD2-CE3 3.98Å; F153-W201 HydrophobicContact CD2-CE3 3.98Å; F153-W201 AromaticContact CD2-CG 3.63Å; F153-W201 HydrophobicContact CD2-CG 3.63Å; F153-W201 HydrophobicContact CE2-CB 4.04Å; F153-W201 HydrophobicContact CE2-CG 4.34Å; F153-W201 HydrophobicContact CG-CD2 4.16Å; F153-W201 HydrophobicContact CG-CE3 4.15Å; Q183-W201 PolarHBondContact NE2-O 3.46Å; T186-W201 HydrophobicContact CG2-CB 4.2Å; T186-W201 HydrophobicContact CG2-CG 4.46Å; T197-W201 WeakPolarHBondContact O-CB 3.47Å; T197-W201 PolarHBondContact O-N 3.3Å; F198-W201 HydrophobicContact CD2-CE3 4.02Å; F198-W201 HydrophobicContact CD2-CZ3 4.38Å; F198-W201 AromaticContact CE2-CE3 3.86Å; F198-W201 HydrophobicContact CE2-CE3 3.86Å; F198-W201 AromaticContact CE2-CZ3 3.81Å; F198-W201 HydrophobicContact CE2-CZ3 3.81Å; F198-W201 PolarHBondContact O-N 2.88Å; W201-H204 PolarHBondContact O-N 3.15Å; W201-L205 HydrophobicContact CE3-CD2 4.48Å; W201-L205 HydrophobicContact CH2-CD2 3.51Å; W201-L205 HydrophobicContact CZ2-CD2 3.75Å; W201-L205 HydrophobicContact CZ3-CD2 3.9Å; W201-L205 WeakPolarHBondContact O-CB 3.24Å; W201-L205 PolarHBondContact O-N 3.21Å
202	R	93.3	Very high	89.7	Confident	54 Å²	54	44.1 Å²	44.1	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-47.6	177.1	179.2	-175.4	74.5	166.3	3.4	112	L80 F198 L199 N200 H204 L205 T206	L80-R202 HydrophobicContact CD1-CB 4.45Å; L80-R202 HydrophobicContact CD1-CG 3.72Å; F198-R202 WeakPolarHBondContact O-CB 3.19Å; F198-R202 PolarHBondContact O-N 3.44Å; L199-R202 WeakPolarHBondContact O-CB 3.27Å; L199-R202 PolarHBondContact O-N 3.29Å; N200-R202 VanDerWaalsContact C-N 3.31Å; N200-R202 PolarHBondContact O-N 2.9Å; R202-H204 PolarHBondContact O-N 3.37Å; R202-L205 WeakPolarHBondContact O-CB 3.36Å; R202-L205 PolarHBondContact O-N 3.19Å; R202-T206 WeakPolarHBondContact O-CB 3.46Å; R202-T206 PolarHBondContact O-N 3.44Å; R202-T206 PolarHBondContact O-OG1 2.95Å
203	S	89.3	Confident	89.9	Confident	43 Å²	43	40.8 Å²	40.8	30%	0.301	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-42	-177.9	-62.1	0	0	0	0	112.7	L199 N200 S207	L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 3.26Å; N200-S203 PolarHBondContact O-N 3.02Å; S203-S207 PolarHBondContact O-N 3.37Å; S203-S207 PolarHBondContact O-OG 2.77Å
204	H	92.5	Very high	90.1	Very high	116 Å²	116	44 Å²	44	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-66.3	-42	174.3	-66.9	90.5	0	0	0	111.4	N200 W201 R202 T206 S207 L208	N200-H204 PolarHBondContact O-N 3.44Å; N200-H204 PolarHBondContact O-ND1 3.19Å; W201-H204 PolarHBondContact O-N 3.15Å; R202-H204 PolarHBondContact O-N 3.37Å; H204-T206 PolarHBondContact O-N 3.18Å; H204-S207 PolarHBondContact O-N 3.05Å; H204-L208 WeakPolarHBondContact O-CG 3.48Å; H204-L208 PolarHBondContact O-N 3.4Å
205	L	94.6	Very high	89.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.8	-176.4	63.2	0	0	0	111.7	L80 L116 A151 L182 Q183 W201 R202 S207 L208 L209	L80-L205 HydrophobicContact CD1-CD2 4.17Å; L80-L205 HydrophobicContact CD2-CD2 4.3Å; L116-L205 HydrophobicContact CD1-CD2 3.82Å; L116-L205 HydrophobicContact CD2-CD1 3.95Å; L116-L205 HydrophobicContact CD2-CD2 3.92Å; L116-L205 HydrophobicContact CD2-CG 4.49Å; L116-L205 HydrophobicContact CG-CD2 4.46Å; A151-L205 HydrophobicContact CB-CD1 4.05Å; L182-L205 HydrophobicContact CD2-CD1 4.11Å; Q183-L205 VanDerWaalsContact OE1-N 3.14Å; W201-L205 HydrophobicContact CE3-CD2 4.48Å; W201-L205 HydrophobicContact CH2-CD2 3.51Å; W201-L205 HydrophobicContact CZ2-CD2 3.75Å; W201-L205 HydrophobicContact CZ3-CD2 3.9Å; W201-L205 WeakPolarHBondContact O-CB 3.24Å; W201-L205 PolarHBondContact O-N 3.21Å; R202-L205 WeakPolarHBondContact O-CB 3.36Å; R202-L205 PolarHBondContact O-N 3.19Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.22Å; L205-L208 PolarHBondContact O-N 3.5Å; L205-L209 HydrophobicContact CD1-CD1 4.26Å; L205-L209 HydrophobicContact CD1-CG 4.29Å; L205-L209 HydrophobicContact CD2-CD1 4.45Å; L205-L209 HydrophobicContact CG-CD1 3.88Å; L205-L209 HydrophobicContact CG-CG 4.32Å; L205-L209 VanDerWaalsContact O-CG 3.29Å; L205-L209 WeakPolarHBondContact O-CG 3.33Å; L205-L209 PolarHBondContact O-N 3.49Å
206	T	91.4	Very high	88.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-44.5	178.1	-61.1	0	0	0	0	110.8	H83 L84 C87 R202 H204 L208 L209 I210	H83-T206 PolarHBondContact CD2-OG1 2.98Å; H83-T206 PolarHBondContact NE2-OG1 3.09Å; L84-T206 HydrophobicContact CD2-CG2 4.38Å; C87-T206 HydrophobicContact CB-CG2 4.24Å; R202-T206 WeakPolarHBondContact O-CB 3.46Å; R202-T206 PolarHBondContact O-N 3.44Å; R202-T206 PolarHBondContact O-OG1 2.95Å; H204-T206 PolarHBondContact O-N 3.18Å; T206-L208 PolarHBondContact O-N 3.23Å; T206-L209 PolarHBondContact O-N 3.49Å; T206-I210 HydrophobicContact CG2-CD1 3.92Å; T206-I210 HydrophobicContact CG2-CG1 4.49Å; T206-I210 WeakPolarHBondContact O-CG1 3.48Å; T206-I210 PolarHBondContact O-N 2.95Å
207	S	89.8	Confident	87.6	Confident	53 Å²	53	53.1 Å²	53.1	37%	0.371	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-46.8	177.4	-53.9	0	0	0	0	111.4	S203 H204 L205 L209 I210 D211	S203-S207 PolarHBondContact O-N 3.37Å; S203-S207 PolarHBondContact O-OG 2.77Å; H204-S207 PolarHBondContact O-N 3.05Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.22Å; S207-L209 VanDerWaalsContact C-N 3.34Å; S207-L209 PolarHBondContact O-N 2.76Å; S207-I210 PolarHBondContact O-N 3.3Å; S207-D211 PolarHBondContact O-N 3.08Å; S207-D211 VanDerWaalsContact O-N 3.14Å
208	L	92.9	Very high	86	Confident	67 Å²	67	59 Å²	59	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-37	176.9	-70.4	171	0	0	0	113.1	Q183 H204 L205 T206 F212	Q183-L208 HydrophobicContact CB-CD1 3.88Å; Q183-L208 HydrophobicContact CG-CD1 4.22Å; H204-L208 WeakPolarHBondContact O-CG 3.48Å; H204-L208 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 3.5Å; T206-L208 PolarHBondContact O-N 3.23Å; L208-F212 WeakPolarHBondContact O-CB 3.36Å; L208-F212 PolarHBondContact O-N 3.12Å
209	L	92.1	Very high	84.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-39.1	178.7	-70.1	170.9	0	0	0	111.9	V62 L84 V114 L116 L182 L205 T206 S207 D211 F212 F213	V62-L209 HydrophobicContact CG2-CD2 4.47Å; L84-L209 HydrophobicContact CD1-CD1 3.77Å; L84-L209 HydrophobicContact CD2-CD1 3.69Å; L84-L209 HydrophobicContact CG-CD1 4.41Å; V114-L209 HydrophobicContact CB-CD2 4.34Å; V114-L209 HydrophobicContact CG1-CD2 4.11Å; V114-L209 HydrophobicContact CG2-CD2 4.01Å; L116-L209 HydrophobicContact CD1-CD1 4.35Å; L182-L209 HydrophobicContact CD2-CD2 3.6Å; L182-L209 HydrophobicContact CD2-CG 4.29Å; L205-L209 HydrophobicContact CD1-CD1 4.26Å; L205-L209 HydrophobicContact CD1-CG 4.29Å; L205-L209 HydrophobicContact CD2-CD1 4.45Å; L205-L209 HydrophobicContact CG-CD1 3.88Å; L205-L209 HydrophobicContact CG-CG 4.32Å; L205-L209 VanDerWaalsContact O-CG 3.29Å; L205-L209 WeakPolarHBondContact O-CG 3.33Å; L205-L209 PolarHBondContact O-N 3.49Å; T206-L209 PolarHBondContact O-N 3.49Å; S207-L209 VanDerWaalsContact C-N 3.34Å; S207-L209 PolarHBondContact O-N 2.76Å; L209-D211 VanDerWaalsContact C-N 3.31Å; L209-D211 PolarHBondContact O-N 2.99Å; L209-F212 PolarHBondContact O-N 3.42Å; L209-F213 HydrophobicContact CB-CD2 4.33Å; L209-F213 HydrophobicContact CB-CE2 4.44Å; L209-F213 HydrophobicContact CD2-CE2 3.87Å; L209-F213 WeakPolarHBondContact O-CB 3.47Å; L209-F213 WeakPolarHBondContact O-CD2 3.46Å; L209-F213 PolarHBondContact O-N 3.03Å
210	I	86.6	Confident	82.4	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.046	33%	0.331	C	S	.	.	H	α-helix	trans	-57.8	-48	174	-73.5	168.4	0	0	0	109.8	T206 S207 D214 L215 R220	T206-I210 HydrophobicContact CG2-CD1 3.92Å; T206-I210 HydrophobicContact CG2-CG1 4.49Å; T206-I210 WeakPolarHBondContact O-CG1 3.48Å; T206-I210 PolarHBondContact O-N 2.95Å; S207-I210 PolarHBondContact O-N 3.3Å; I210-D214 PolarHBondContact O-N 3.27Å; I210-D214 VanDerWaalsContact O-N 3.09Å; I210-L215 HydrophobicContact CG1-CD1 4.42Å; I210-L215 HydrophobicContact CG2-CB 4.27Å; I210-L215 PolarHBondContact O-N 3.46Å; I210-R220 HydrophobicContact CD1-CG 4.46Å; I210-R220 HydrophobicContact CG2-CG 3.99Å
211	D	88	Confident	80.5	Confident	93 Å²	93	66.5 Å²	66.5	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-69.1	-38.4	178.8	-65	-18.8	0	0	0	112	S207 L209 F213 D214 R220	S207-D211 PolarHBondContact O-N 3.08Å; S207-D211 VanDerWaalsContact O-N 3.14Å; L209-D211 VanDerWaalsContact C-N 3.31Å; L209-D211 PolarHBondContact O-N 2.99Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 3.36Å; D211-D214 PolarHBondContact O-N 3.18Å; D211-R220 IonicContact OD1-CZ 3.96Å; D211-R220 IonicContact OD1-NH2 3.49Å; D211-R220 PolarHBondContact OD1-NH2 3.07Å
212	F	89.3	Confident	78.5	Confident	58 Å²	58	67.8 Å²	67.8	25%	0.254	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-33.3	179.3	-178.1	-99.9	0	0	0	113.1	N112 V114 R149 L182 L208 L209	N112-F212 HydrophobicContact CB-CE1 4.01Å; N112-F212 HydrophobicContact CB-CZ 4.26Å; V114-F212 HydrophobicContact CG2-CD1 4.03Å; V114-F212 HydrophobicContact CG2-CE1 3.78Å; R149-F212 HydrophobicContact CG-CE2 4.06Å; R149-F212 HydrophobicContact CG-CZ 3.86Å; L182-F212 HydrophobicContact CD1-CD2 4.39Å; L208-F212 WeakPolarHBondContact O-CB 3.36Å; L208-F212 PolarHBondContact O-N 3.12Å; L209-F212 PolarHBondContact O-N 3.42Å
213	F	87.8	Confident	76.4	Confident	31 Å²	31	70 Å²	70	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-96.3	0.4	179.2	-69.1	-56.6	0	0	0	114.2	K61 V62 V89 N112 V114 L209 D211 L215	K61-F213 HydrophobicContact CB-CD1 4.48Å; K61-F213 HydrophobicContact CB-CE1 3.54Å; K61-F213 HydrophobicContact CB-CZ 3.6Å; K61-F213 HydrophobicContact CD-CD1 3.73Å; K61-F213 HydrophobicContact CD-CE1 3.46Å; K61-F213 VanDerWaalsContact CD-CE1 3.46Å; K61-F213 HydrophobicContact CD-CZ 4.35Å; K61-F213 HydrophobicContact CG-CE1 4.15Å; V62-F213 HydrophobicContact CG2-CE2 3.49Å; V62-F213 VanDerWaalsContact CG2-CE2 3.49Å; V62-F213 HydrophobicContact CG2-CZ 3.68Å; V89-F213 HydrophobicContact CG1-CD2 4.39Å; V89-F213 HydrophobicContact CG1-CE2 4.15Å; V89-F213 HydrophobicContact CG2-CD2 4.47Å; N112-F213 HydrophobicContact CB-CE1 4.33Å; N112-F213 WeakPolarHBondContact O-CE1 3.2Å; V114-F213 HydrophobicContact CG2-CE2 4.39Å; V114-F213 HydrophobicContact CG2-CZ 3.87Å; L209-F213 HydrophobicContact CB-CD2 4.33Å; L209-F213 HydrophobicContact CB-CE2 4.44Å; L209-F213 HydrophobicContact CD2-CE2 3.87Å; L209-F213 WeakPolarHBondContact O-CB 3.47Å; L209-F213 WeakPolarHBondContact O-CD2 3.46Å; L209-F213 PolarHBondContact O-N 3.03Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 3.36Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 HydrophobicContact CB-CD1 4.43Å; F213-L215 HydrophobicContact CB-CD2 4.2Å; F213-L215 HydrophobicContact CB-CG 3.92Å; F213-L215 PolarHBondContact O-N 3.44Å
214	D	85.3	Confident	74.6	Confident	148 Å²	148	75.1 Å²	75.1	79%	0.791	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	48.6	-176.7	-162	29.6	0	0	0	112.2	I210 D211	I210-D214 PolarHBondContact O-N 3.27Å; I210-D214 VanDerWaalsContact O-N 3.09Å; D211-D214 PolarHBondContact O-N 3.18Å
215	L	80.3	Confident	72.8	Confident	42 Å²	42	76 Å²	76	22%	0.22	38%	0.382	C	S	.	.			trans	-79.2	138.3	179	-60.3	179.7	0	0	0	110.8	V89 I210 F213	V89-L215 HydrophobicContact CG2-CD1 3.47Å; V89-L215 VanDerWaalsContact CG2-CD1 3.47Å; I210-L215 HydrophobicContact CG1-CD1 4.42Å; I210-L215 HydrophobicContact CG2-CB 4.27Å; I210-L215 PolarHBondContact O-N 3.46Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 HydrophobicContact CB-CD1 4.43Å; F213-L215 HydrophobicContact CB-CD2 4.2Å; F213-L215 HydrophobicContact CB-CG 3.92Å; F213-L215 PolarHBondContact O-N 3.44Å
216	N	69.1	Low	71.3	Confident	127 Å²	127	82.7 Å²	82.7	68%	0.679	41%	0.414	S	S	*	.			trans	-61.7	151.1	-174.9	-71.5	-38.8	0	0	0	112.7	H218 D219	N216-H218 PolarHBondContact O-N 3.16Å; N216-D219 WeakPolarHBondContact O-CB 3.47Å; N216-D219 PolarHBondContact O-N 3.38Å
217	D	57.9	Low	70.6	Confident	107 Å²	107	86.1 Å²	86.1	57%	0.572	43%	0.427	S	S	*	.	H	α-helix	trans	-54.8	-24	179.5	-84.1	-29.3	0	0	0	114.7	D219 R220	D217-D219 PolarHBondContact O-N 2.83Å; D217-R220 WeakPolarHBondContact O-CB 3.35Å; D217-R220 PolarHBondContact O-N 3.45Å; D217-R220 WeakPolarHBondContact OD1-CD 3.49Å; D217-R220 IonicContact OD1-CZ 3.81Å; D217-R220 IonicContact OD1-NE 3.43Å; D217-R220 PolarHBondContact OD1-NE 3.13Å; D217-R220 IonicContact OD1-NH1 2.7Å; D217-R220 PolarHBondContact OD1-NH1 3.2Å
218	H	57.3	Low	70.3	Confident	165 Å²	165	88.6 Å²	88.6	76%	0.764	43%	0.431	S	S	*	.	H	α-helix	trans	-58.5	-28.2	173.6	-102.1	-63.4	0	0	0	112.9	N216	N216-H218 PolarHBondContact O-N 3.16Å
219	D	54.7	Low	70.1	Confident	56 Å²	56	88.7 Å²	88.7	30%	0.299	43%	0.427	S	S	.	.	H	α-helix	trans	-81.2	-23.2	176.9	-61.9	-39	0	0	0	112.1	N216 D217 N221 Y222	N216-D219 WeakPolarHBondContact O-CB 3.47Å; N216-D219 PolarHBondContact O-N 3.38Å; D217-D219 PolarHBondContact O-N 2.83Å; D219-N221 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 2.93Å; D219-Y222 WeakPolarHBondContact O-CB 3.48Å; D219-Y222 PolarHBondContact O-N 2.89Å
220	R	52.4	Low	69.9	Low	115 Å²	115	89.9 Å²	89.9	43%	0.434	43%	0.433	S	S	.	.	H	α-helix	trans	-68.3	-27.6	178	-68.5	-168.8	178.6	157.2	-12.7	113.4	I210 D211 D217 Y222 L223	I210-R220 HydrophobicContact CD1-CG 4.46Å; I210-R220 HydrophobicContact CG2-CG 3.99Å; D211-R220 IonicContact OD1-CZ 3.96Å; D211-R220 IonicContact OD1-NH2 3.49Å; D211-R220 PolarHBondContact OD1-NH2 3.07Å; D217-R220 WeakPolarHBondContact O-CB 3.35Å; D217-R220 PolarHBondContact O-N 3.45Å; D217-R220 WeakPolarHBondContact OD1-CD 3.49Å; D217-R220 IonicContact OD1-CZ 3.81Å; D217-R220 IonicContact OD1-NE 3.43Å; D217-R220 PolarHBondContact OD1-NE 3.13Å; D217-R220 IonicContact OD1-NH1 2.7Å; D217-R220 PolarHBondContact OD1-NH1 3.2Å; R220-Y222 PolarHBondContact O-N 3.35Å; R220-L223 PolarHBondContact O-N 3.17Å
221	N	50.8	Low	70.1	Confident	105 Å²	105	90 Å²	90	56%	0.561	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-66.4	-1.2	175.7	-92.8	-22	0	0	0	114.1	D219 L223	D219-N221 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 2.93Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 PolarHBondContact O-N 3.29Å
222	Y	52.7	Low	70.4	Confident	32 Å²	32	87.9 Å²	87.9	13%	0.125	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-69	-25.7	177	-164.3	-96.7	0	0	0	113.7	H83 N86 C87 D219 R220 N224 K225	H83-Y222 AromaticContact ND1-CE1 3.82Å; N86-Y222 HydrophobicContact CB-CD2 4.16Å; N86-Y222 HydrophobicContact CB-CE1 3.82Å; N86-Y222 HydrophobicContact CB-CE2 3.39Å; N86-Y222 WeakPolarHBondContact CB-OH 3.26Å; N86-Y222 PolarHBondContact ND2-OH 3.39Å; N86-Y222 WeakPolarHBondContact O-CD2 3.34Å; C87-Y222 WeakPolarHBondContact SG-CD1 3.17Å; D219-Y222 WeakPolarHBondContact O-CB 3.48Å; D219-Y222 PolarHBondContact O-N 2.89Å; R220-Y222 PolarHBondContact O-N 3.35Å; Y222-N224 PolarHBondContact O-N 3Å; Y222-K225 HydrophobicContact CD2-CB 4.33Å; Y222-K225 HydrophobicContact CD2-CD 3.98Å; Y222-K225 HydrophobicContact CE2-CB 4.34Å; Y222-K225 HydrophobicContact CE2-CD 4.4Å; Y222-K225 PolarHBondContact O-N 3.29Å; Y222-K225 VanDerWaalsContact O-N 3.07Å
223	L	50.3	Low	70.8	Confident	101 Å²	101	87 Å²	87	53%	0.529	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-58.2	-19.9	-179.6	-70.3	170.1	0	0	0	113.5	R220 N221	R220-L223 PolarHBondContact O-N 3.17Å; N221-L223 VanDerWaalsContact C-N 3.31Å; N221-L223 PolarHBondContact O-N 3.29Å
224	N	51.6	Low	71.1	Confident	150 Å²	150	90.4 Å²	90.4	80%	0.802	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-108.8	6.4	-179.4	-70	-21.4	0	0	0	114.7	Y222	Y222-N224 PolarHBondContact O-N 3Å
225	K	54.2	Low	71.4	Confident	134 Å²	134	90.6 Å²	90.6	58%	0.583	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-90.5	146.5	-174.6	-76.6	-177.9	-180	172.7	0	113.7	Y222	Y222-K225 HydrophobicContact CD2-CB 4.33Å; Y222-K225 HydrophobicContact CD2-CD 3.98Å; Y222-K225 HydrophobicContact CE2-CB 4.34Å; Y222-K225 HydrophobicContact CE2-CD 4.4Å; Y222-K225 PolarHBondContact O-N 3.29Å; Y222-K225 VanDerWaalsContact O-N 3.07Å
226	Q	63.3	Low	71.5	Confident	142 Å²	142	92.5 Å²	92.5	66%	0.664	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-48	148.1	169.1	-79.1	171.8	-21.5	0	0	112	K228 D377	Q226-K228 PolarHBondContact O-N 3.33Å; Q226-K228 VanDerWaalsContact O-N 3.16Å; Q226-D377 VanDerWaalsContact CD-OD2 3.28Å; Q226-D377 WeakPolarHBondContact CG-OD2 3.45Å; Q226-D377 PolarHBondContact NE2-OD2 2.77Å
227	Y	77.1	Confident	71.8	Confident	74 Å²	74	94.1 Å²	94.1	29%	0.29	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-55.1	119.7	174.2	177.3	-95.9	0	0	0	110.6	A374 L429 E432 L433	Y227-A374 HydrophobicContact CD1-CB 3.96Å; Y227-A374 HydrophobicContact CD2-CB 4.15Å; Y227-A374 HydrophobicContact CG-CB 3.64Å; Y227-L429 HydrophobicContact CD1-CD1 3.94Å; Y227-L429 HydrophobicContact CE1-CD1 3.75Å; Y227-E432 WeakPolarHBondContact CE1-OE1 3.35Å; Y227-E432 VanDerWaalsContact CZ-OE1 3.29Å; Y227-E432 PolarHBondContact OH-OE1 3.44Å; Y227-L433 HydrophobicContact CE1-CD1 4.39Å; Y227-L433 HydrophobicContact CE1-CD2 4.08Å; Y227-L433 HydrophobicContact CE1-CG 4.46Å; Y227-L433 HydrophobicContact CE2-CD2 3.82Å; Y227-L433 WeakPolarHBondContact OH-CD2 3.42Å
228	K	83	Confident	72.1	Confident	104 Å²	104	94.9 Å²	94.9	45%	0.452	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-83.7	141.2	174	-162.5	-174.6	-179.7	-174.6	0	109.5	H82 N86 Q226	H82-K228 PolarHBondContact CE1-O 3.07Å; N86-K228 WeakPolarHBondContact OD1-CD 3.47Å; N86-K228 PolarHBondContact OD1-NZ 3.03Å; Q226-K228 PolarHBondContact O-N 3.33Å; Q226-K228 VanDerWaalsContact O-N 3.16Å
229	R	88.5	Confident	72.2	Confident	70 Å²	70	94.8 Å²	94.8	26%	0.264	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-69.5	130.4	178.9	-59.5	-62.9	-60.9	-86.4	-8.3	111.2	D428 E432	R229-D428 IonicContact CZ-OD2 3.33Å; R229-D428 IonicContact NH1-OD2 3.87Å; R229-D428 PolarHBondContact NH1-OD2 2.98Å; R229-D428 IonicContact NH2-OD2 2.74Å; R229-D428 PolarHBondContact NH2-OD2 2.89Å; R229-E432 IonicContact CZ-OE2 3.29Å; R229-E432 IonicContact NE-OE1 3.35Å; R229-E432 IonicContact NE-OE2 2.81Å; R229-E432 PolarHBondContact NE-OE2 3.13Å; R229-E432 IonicContact NH2-OE2 2.91Å; R229-E432 PolarHBondContact NH2-OE2 2.87Å
230	M	87.2	Confident	72.3	Confident	25 Å²	25	95.9 Å²	95.9	12%	0.123	45%	0.451	C	S	.	.	S	Bend	trans	-77.5	-32	171.5	-70.6	-178.2	67.8	0	0	112.2	I78 H82 V337 E432	I78-M230 HydrophobicContact CG2-CE 3.2Å; I78-M230 HydrophobicContact CG2-SD 4.42Å; H82-M230 HydrophobicContact CB-CE 3.89Å; H82-M230 HydrophobicContact CB-CG 3.98Å; H82-M230 HydrophobicContact CB-SD 3.96Å; H82-M230 VanDerWaalsContact CD2-CG 3.44Å; H82-M230 WeakPolarHBondContact CD2-CG 3.46Å; H82-M230 WeakPolarHBondContact ND1-CG 3.47Å; M230-V337 PolarHBondContact O-N 2.61Å; M230-E432 HydrophobicContact CB-CG 4.45Å; M230-E432 WeakPolarHBondContact CB-OE1 3.33Å; M230-E432 PolarHBondContact N-OE1 3.17Å
231	Y	92.1	Very high	72.4	Confident	10 Å²	10	95.1 Å²	95.1	4%	0.039	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.5	-175.9	-56.8	-83.6	0	0	0	111	L334 D335 A336 P346 E432	Y231-L334 HydrophobicContact CG-CB 4.22Å; Y231-D335 CarbonylContact C-O 3.53Å; Y231-D335 VanDerWaalsContact CA-O 3.29Å; Y231-D335 WeakPolarHBondContact CA-O 2.94Å; Y231-A336 HydrophobicContact CD1-CB 4.23Å; Y231-A336 HydrophobicContact CE1-CB 4.12Å; Y231-P346 HydrophobicContact CD1-CG 4.42Å; Y231-P346 HydrophobicContact CD2-CB 4.28Å; Y231-P346 HydrophobicContact CD2-CG 4.08Å; Y231-P346 HydrophobicContact CE1-CG 4.4Å; Y231-P346 HydrophobicContact CE2-CB 3.76Å; Y231-P346 HydrophobicContact CE2-CG 4.03Å; Y231-P346 HydrophobicContact CG-CG 4.29Å; Y231-E432 HydrophobicContact CD2-CB 4.37Å; Y231-E432 HydrophobicContact CD2-CG 3.81Å; Y231-E432 HydrophobicContact CE2-CG 4.39Å
232	S	94.4	Very high	72.6	Confident	50 Å²	50	92.7 Å²	92.7	35%	0.35	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.4	171	62.2	0	0	0	0	109.8	L334 D335	S232-L334 WeakPolarHBondContact O-CA 3.36Å; S232-D335 PolarHBondContact N-O 2.89Å; S232-D335 PolarHBondContact O-N 3.34Å; S232-D335 PolarHBondContact OG-O 3.07Å
233	L	95.9	Very high	72.5	Confident	39 Å²	39	96.4 Å²	96.4	20%	0.204	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.5	176.8	175.8	64.5	0	0	0	110.3	R235 I332 L334 D428	L233-R235 VanDerWaalsContact CD2-CZ 3.47Å; L233-I332 HydrophobicContact CD1-CB 3.77Å; L233-I332 HydrophobicContact CD1-CD1 4.39Å; L233-I332 HydrophobicContact CD1-CG2 3.77Å; L233-L334 HydrophobicContact CB-CD2 4.22Å; L233-L334 HydrophobicContact CD1-CD2 3.8Å; L233-D428 HydrophobicContact CB-CB 4.23Å; L233-D428 HydrophobicContact CD1-CB 4.11Å; L233-D428 HydrophobicContact CD2-CB 4.01Å; L233-D428 HydrophobicContact CG-CB 4.34Å
234	K	94.2	Very high	72.4	Confident	103 Å²	103	94.6 Å²	94.6	45%	0.448	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.9	165.6	-65.8	-174.6	-173.7	162.7	0	110	F236 I332 S333 D335	K234-F236 HydrophobicContact CB-CE2 3.76Å; K234-F236 HydrophobicContact CB-CZ 3.9Å; K234-I332 CarbonylContact O-C 3.48Å; K234-I332 VanDerWaalsContact O-CA 3.27Å; K234-I332 WeakPolarHBondContact O-CA 3.23Å; K234-S333 PolarHBondContact N-O 3.13Å; K234-S333 PolarHBondContact O-N 2.88Å; K234-D335 VanDerWaalsContact CD-OD2 3.22Å; K234-D335 WeakPolarHBondContact CD-OD2 3.14Å; K234-D335 WeakPolarHBondContact CE-OD2 3.42Å; K234-D335 IonicContact NZ-OD2 3.01Å; K234-D335 PolarHBondContact NZ-OD2 3.16Å
235	R	92	Very high	72.3	Confident	152 Å²	152	89.5 Å²	89.5	57%	0.574	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.1	178	-66.5	170.1	168.9	97.8	1	109.7	L233 E330	L233-R235 VanDerWaalsContact CD2-CZ 3.47Å; R235-E330 WeakPolarHBondContact CD-OE1 3.3Å; R235-E330 VanDerWaalsContact CG-OE1 3.28Å; R235-E330 WeakPolarHBondContact CG-OE1 3.47Å; R235-E330 IonicContact NE-OE1 3.9Å; R235-E330 PolarHBondContact NE-OE1 3.19Å; R235-E330 IonicContact NE-OE2 3.44Å
236	F	82.7	Confident	72	Confident	82 Å²	82	84.2 Å²	84.2	36%	0.36	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.2	-176.9	-58.4	-95.3	0	0	0	110.7	K234 M331 S333 P350	K234-F236 HydrophobicContact CB-CE2 3.76Å; K234-F236 HydrophobicContact CB-CZ 3.9Å; F236-M331 HydrophobicContact CB-CB 4.15Å; F236-M331 PolarHBondContact N-O 2.81Å; F236-S333 VanDerWaalsContact CE2-CB 3.41Å; F236-P350 HydrophobicContact CD2-CB 4.42Å; F236-P350 HydrophobicContact CE2-CB 4.39Å
237	N	74.7	Confident	71.3	Confident	161 Å²	161	81 Å²	81	86%	0.861	41%	0.407	S	S	*	.			trans	-99.6	107.2	161.9	-74.4	-17.4	0	0	0	107.4
238	W	64.9	Low	69.9	Low	123 Å²	123	81 Å²	81	47%	0.466	41%	0.413	S	S	.	.			trans	-109.9	123.7	-178.1	-130.7	22.1	0	0	0	111	V240 H245 M331 P350	W238-V240 PolarHBondContact O-N 3.5Å; W238-H245 AromaticContact CH2-CE1 3.79Å; W238-H245 AromaticContact CH2-ND1 3.47Å; W238-H245 WeakPolarHBondContact CH2-ND1 3.45Å; W238-H245 HydrophobicContact CZ3-CB 4.05Å; W238-H245 AromaticContact CZ3-CG 3.73Å; W238-H245 AromaticContact CZ3-ND1 3.71Å; W238-M331 HydrophobicContact CD2-CE 4.36Å; W238-M331 HydrophobicContact CE3-CE 3.5Å; W238-M331 VanDerWaalsContact CE3-CE 3.5Å; W238-M331 HydrophobicContact CZ3-CE 3.83Å; W238-P350 HydrophobicContact CH2-CG 4.49Å
239	N	59.5	Low	68.4	Low	163 Å²	163	76.6 Å²	76.6	87%	0.872	39%	0.394	S	S	*	.			trans	-86.3	17.6	-178.4	-66.5	-7.7	0	0	0	112.9
240	V	56.4	Low	66.5	Low	78 Å²	78	76.4 Å²	76.4	47%	0.473	40%	0.395	S	S	.	.	S	Bend	trans	-119.8	137.6	-174.6	-171.5	0	0	0	0	110.6	W238 L242	W238-V240 PolarHBondContact O-N 3.5Å; V240-L242 PolarHBondContact O-N 3.27Å
241	P	55.5	Low	64.5	Low	100 Å²	100	80.1 Å²	80.1	65%	0.649	42%	0.415	S	S	*	.			trans	-59.6	125.2	-179.2	-23.5	32.9	0	0	0	113.5	V243 S244	P241-V243 PolarHBondContact O-N 3.05Å; P241-S244 PolarHBondContact O-N 2.89Å
242	L	54.1	Low	62.1	Low	53 Å²	53	83.7 Å²	83.7	28%	0.277	43%	0.434	S	S	.	.	H	α-helix	trans	-50.8	-30.9	-177.8	-105	139.8	0	0	0	115.7	V240 S244 H245 F246 M331 T352	V240-L242 PolarHBondContact O-N 3.27Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.28Å; L242-H245 PolarHBondContact O-N 3.36Å; L242-F246 HydrophobicContact CD2-CD2 4.45Å; L242-F246 HydrophobicContact CD2-CE2 4.42Å; L242-F246 PolarHBondContact O-N 3Å; L242-M331 HydrophobicContact CD1-SD 4.25Å; L242-M331 HydrophobicContact CD2-SD 3.77Å; L242-M331 HydrophobicContact CG-SD 4.07Å; L242-T352 HydrophobicContact CD1-CG2 3.61Å; L242-T352 HydrophobicContact CD2-CG2 3.57Å; L242-T352 HydrophobicContact CG-CG2 4.17Å
243	V	51.3	Low	59.9	Low	111 Å²	111	87.4 Å²	87.4	67%	0.673	44%	0.444	S	S	*	.	H	α-helix	trans	-63.9	-35.9	-177.3	-179.1	0	0	0	0	112.1	P241 H245 V247	P241-V243 PolarHBondContact O-N 3.05Å; V243-H245 VanDerWaalsContact C-N 3.3Å; V243-H245 PolarHBondContact O-N 3.2Å; V243-V247 HydrophobicContact CG1-CG2 4.48Å; V243-V247 WeakPolarHBondContact O-CG2 3.26Å; V243-V247 PolarHBondContact O-N 2.9Å
244	S	47.3	Very low	57.1	Low	62 Å²	62	88.9 Å²	88.9	43%	0.434	46%	0.462	S	S	.	.	H	α-helix	trans	-69.1	-32	-179.2	87.3	0	0	0	0	111.9	P241 L242 N248	P241-S244 PolarHBondContact O-N 2.89Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.28Å; S244-N248 VanDerWaalsContact O-CB 3.3Å; S244-N248 WeakPolarHBondContact O-CB 3.23Å; S244-N248 PolarHBondContact O-N 3.46Å; S244-N248 VanDerWaalsContact O-N 3.08Å; S244-N248 PolarHBondContact O-ND2 2.97Å
245	H	49.4	Very low	54.5	Low	44 Å²	44	91.1 Å²	91.1	20%	0.204	47%	0.474	C	S	.	.	H	α-helix	trans	-71.4	-43.7	-179.5	-167.7	68.8	0	0	0	111.6	W238 L242 V243 N248 M249 P350	W238-H245 AromaticContact CH2-CE1 3.79Å; W238-H245 AromaticContact CH2-ND1 3.47Å; W238-H245 WeakPolarHBondContact CH2-ND1 3.45Å; W238-H245 HydrophobicContact CZ3-CB 4.05Å; W238-H245 AromaticContact CZ3-CG 3.73Å; W238-H245 AromaticContact CZ3-ND1 3.71Å; L242-H245 PolarHBondContact O-N 3.36Å; V243-H245 VanDerWaalsContact C-N 3.3Å; V243-H245 PolarHBondContact O-N 3.2Å; H245-N248 CarbonylContact O-C 3.44Å; H245-N248 WeakPolarHBondContact O-CB 3.44Å; H245-N248 PolarHBondContact O-N 3Å; H245-M249 WeakPolarHBondContact O-CB 3.25Å; H245-M249 PolarHBondContact O-N 3.47Å; H245-P350 PolarHBondContact NE2-O 3.3Å
246	F	49.1	Very low	52.3	Low	22 Å²	22	84.4 Å²	84.4	10%	0.096	45%	0.449	C	S	.	.	H	α-helix	trans	-69.2	-42.1	-179	-98.7	-87.8	0	0	0	113.8	L242 N248 M249 F250 C351 H355 F360	L242-F246 HydrophobicContact CD2-CD2 4.45Å; L242-F246 HydrophobicContact CD2-CE2 4.42Å; L242-F246 PolarHBondContact O-N 3Å; F246-N248 VanDerWaalsContact C-N 3.29Å; F246-N248 PolarHBondContact O-N 3.3Å; F246-M249 HydrophobicContact CE1-CE 4.22Å; F246-M249 PolarHBondContact O-N 3.38Å; F246-M249 VanDerWaalsContact O-N 3.1Å; F246-F250 HydrophobicContact CD1-CD2 4.25Å; F246-F250 AromaticContact CD1-CE2 3.94Å; F246-F250 HydrophobicContact CD1-CE2 3.94Å; F246-F250 HydrophobicContact CE1-CE2 4.17Å; F246-F250 PolarHBondContact O-N 3.47Å; F246-F250 VanDerWaalsContact O-N 3.11Å; F246-C351 HydrophobicContact CE2-CB 4.31Å; F246-C351 HydrophobicContact CZ-CB 4.13Å; F246-H355 AromaticContact CD1-CD2 3.78Å; F246-H355 AromaticContact CD2-CD2 3.45Å; F246-H355 VanDerWaalsContact CD2-CD2 3.45Å; F246-H355 WeakPolarHBondContact CD2-CD2 3.38Å; F246-H355 AromaticContact CD2-CE1 4Å; F246-H355 AromaticContact CD2-CG 3.94Å; F246-H355 AromaticContact CD2-NE2 3.5Å; F246-H355 WeakPolarHBondContact CD2-NE2 3.46Å; F246-H355 HydrophobicContact CE1-CB 3.97Å; F246-H355 AromaticContact CE1-CD2 3.5Å; F246-H355 VanDerWaalsContact CE1-CD2 3.5Å; F246-H355 WeakPolarHBondContact CE1-CD2 3.38Å; F246-H355 AromaticContact CE1-CG 3.96Å; F246-H355 HydrophobicContact CE2-CB 3.63Å; F246-H355 AromaticContact CE2-CD2 3.15Å; F246-H355 WeakPolarHBondContact CE2-CD2 3.17Å; F246-H355 AromaticContact CE2-CE1 3.87Å; F246-H355 AromaticContact CE2-CG 3.2Å; F246-H355 AromaticContact CE2-ND1 3.65Å; F246-H355 AromaticContact CE2-NE2 3.6Å; F246-H355 AromaticContact CG-CD2 3.78Å; F246-H355 AromaticContact CG-NE2 3.95Å; F246-H355 HydrophobicContact CZ-CB 3.2Å; F246-H355 AromaticContact CZ-CD2 3.22Å; F246-H355 WeakPolarHBondContact CZ-CD2 3.35Å; F246-H355 AromaticContact CZ-CG 3.25Å; F246-F360 AromaticContact CE1-CZ 3.8Å; F246-F360 HydrophobicContact CE1-CZ 3.8Å; F246-F360 HydrophobicContact CZ-CE2 4.32Å; F246-F360 AromaticContact CZ-CZ 3.97Å; F246-F360 HydrophobicContact CZ-CZ 3.97Å
247	V	48.4	Very low	50.4	Low	74 Å²	74	86.2 Å²	86.2	45%	0.448	46%	0.457	S	S	.	.	H	α-helix	trans	-57.3	-48.8	170.8	173.8	0	0	0	0	108.4	V243 M249 I251	V243-V247 HydrophobicContact CG1-CG2 4.48Å; V243-V247 WeakPolarHBondContact O-CG2 3.26Å; V243-V247 PolarHBondContact O-N 2.9Å; V247-M249 VanDerWaalsContact C-N 3.33Å; V247-M249 PolarHBondContact O-N 3.28Å; V247-I251 HydrophobicContact CG1-CD1 3.35Å; V247-I251 HydrophobicContact CG1-CG1 4.1Å; V247-I251 WeakPolarHBondContact O-CA 3.3Å; V247-I251 WeakPolarHBondContact O-CB 3.31Å; V247-I251 WeakPolarHBondContact O-CG1 3.16Å; V247-I251 PolarHBondContact O-N 2.67Å
248	N	46.8	Very low	49	Very low	76 Å²	76	85.2 Å²	85.2	41%	0.406	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-33	173.8	-84.5	-26.3	0	0	0	113.8	S244 H245 F246 F250 N252	S244-N248 VanDerWaalsContact O-CB 3.3Å; S244-N248 WeakPolarHBondContact O-CB 3.23Å; S244-N248 PolarHBondContact O-N 3.46Å; S244-N248 VanDerWaalsContact O-N 3.08Å; S244-N248 PolarHBondContact O-ND2 2.97Å; H245-N248 CarbonylContact O-C 3.44Å; H245-N248 WeakPolarHBondContact O-CB 3.44Å; H245-N248 PolarHBondContact O-N 3Å; F246-N248 VanDerWaalsContact C-N 3.29Å; F246-N248 PolarHBondContact O-N 3.3Å; N248-F250 PolarHBondContact O-N 2.85Å; N248-N252 VanDerWaalsContact O-CA 3.26Å; N248-N252 WeakPolarHBondContact O-CA 3.28Å; N248-N252 WeakPolarHBondContact O-CB 3.44Å; N248-N252 PolarHBondContact O-N 3.28Å; N248-N252 PolarHBondContact OD1-ND2 3.25Å
249	M	51.8	Low	48.2	Very low	10 Å²	10	82.6 Å²	82.6	5%	0.049	45%	0.445	C	S	.	.	H	α-helix	trans	-70.8	-36.6	-175	-147.7	-167.4	74.4	0	0	111.5	H245 F246 V247 V256 P348 F360	H245-M249 WeakPolarHBondContact O-CB 3.25Å; H245-M249 PolarHBondContact O-N 3.47Å; F246-M249 HydrophobicContact CE1-CE 4.22Å; F246-M249 PolarHBondContact O-N 3.38Å; F246-M249 VanDerWaalsContact O-N 3.1Å; V247-M249 VanDerWaalsContact C-N 3.33Å; V247-M249 PolarHBondContact O-N 3.28Å; M249-V256 WeakPolarHBondContact O-CG2 3.43Å; M249-P348 HydrophobicContact CE-CB 3.35Å; M249-P348 HydrophobicContact CE-CG 3.71Å; M249-P348 HydrophobicContact CG-CB 4.19Å; M249-P348 HydrophobicContact SD-CB 3.28Å; M249-P348 WeakPolarHBondContact SD-CB 3.44Å; M249-P348 HydrophobicContact SD-CG 4.29Å; M249-F360 HydrophobicContact CE-CE1 3.78Å; M249-F360 HydrophobicContact CE-CE2 4.49Å; M249-F360 HydrophobicContact CE-CZ 3.41Å; M249-F360 VanDerWaalsContact CE-CZ 3.41Å; M249-F360 HydrophobicContact SD-CZ 4.22Å
250	F	49.2	Very low	48	Very low	66 Å²	66	76 Å²	76	29%	0.289	41%	0.41	S	S	.	.	H	α-helix	trans	-92.7	-28.4	175.3	-73.9	-84.3	0	0	0	113.8	F246 N248 Y269 F360	F246-F250 HydrophobicContact CD1-CD2 4.25Å; F246-F250 AromaticContact CD1-CE2 3.94Å; F246-F250 HydrophobicContact CD1-CE2 3.94Å; F246-F250 HydrophobicContact CE1-CE2 4.17Å; F246-F250 PolarHBondContact O-N 3.47Å; F246-F250 VanDerWaalsContact O-N 3.11Å; N248-F250 PolarHBondContact O-N 2.85Å; F250-Y269 HydrophobicContact CB-CE2 3.81Å; F250-Y269 WeakPolarHBondContact CB-OH 3.34Å; F250-Y269 VanDerWaalsContact CD1-OH 3.22Å; F250-Y269 WeakPolarHBondContact CD1-OH 3.4Å; F250-Y269 WeakPolarHBondContact CD2-OH 3.21Å; F250-Y269 HydrophobicContact CG-CE2 4.48Å; F250-Y269 WeakPolarHBondContact CG-OH 3.37Å; F250-F360 HydrophobicContact CZ-CE1 4.26Å
251	I	45.2	Very low	48.1	Very low	104 Å²	104	73.8 Å²	73.8	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-84.2	-40.7	177.5	-61.7	-172.8	0	0	0	111.9	V247 K253	V247-I251 HydrophobicContact CG1-CD1 3.35Å; V247-I251 HydrophobicContact CG1-CG1 4.1Å; V247-I251 WeakPolarHBondContact O-CA 3.3Å; V247-I251 WeakPolarHBondContact O-CB 3.31Å; V247-I251 WeakPolarHBondContact O-CG1 3.16Å; V247-I251 PolarHBondContact O-N 2.67Å; I251-K253 PolarHBondContact O-N 3.47Å
252	N	41.5	Very low	48.6	Very low	84 Å²	84	70 Å²	70	45%	0.449	37%	0.369	S	S	.	.	S	Bend	trans	-76.9	95.1	170.7	-71	-41.5	0	0	0	109	N248 A254	N248-N252 VanDerWaalsContact O-CA 3.26Å; N248-N252 WeakPolarHBondContact O-CA 3.28Å; N248-N252 WeakPolarHBondContact O-CB 3.44Å; N248-N252 PolarHBondContact O-N 3.28Å; N248-N252 PolarHBondContact OD1-ND2 3.25Å; N252-A254 PolarHBondContact O-N 3.32Å
253	K	48.3	Very low	49.1	Very low	129 Å²	129	74.4 Å²	74.4	56%	0.561	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-1.1	173.3	-58.5	-177.2	175.7	-170.3	0	116	I251 K257	I251-K253 PolarHBondContact O-N 3.47Å; K253-K257 WeakPolarHBondContact O-CE 3.38Å; K253-K257 WeakPolarHBondContact O-CG 3.42Å
254	A	36.6	Very low	49.6	Very low	69 Å²	69	71.6 Å²	71.6	57%	0.57	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-36.4	-173.4	0	0	0	0	0	113.6	N252	N252-A254 PolarHBondContact O-N 3.32Å
255	H	38.8	Very low	50.7	Low	151 Å²	151	74.6 Å²	74.6	70%	0.699	38%	0.381	S	S	*	.	S	Bend	trans	-99.2	-12.3	-170.6	-68.3	-62.5	0	0	0	115.3
256	V	46.1	Very low	52	Low	11 Å²	11	74.1 Å²	74.1	7%	0.067	38%	0.38	C	S	.	.	S	Bend	trans	-100.1	-3.9	-177.6	-142.7	0	0	0	0	113.5	M249 E258 T259 L260	M249-V256 WeakPolarHBondContact O-CG2 3.43Å; V256-E258 PolarHBondContact O-N 2.86Å; V256-T259 PolarHBondContact O-N 3.44Å; V256-T259 PolarHBondContact O-OG1 3.38Å; V256-L260 HydrophobicContact CB-CD1 3.76Å; V256-L260 HydrophobicContact CB-CG 4.11Å; V256-L260 HydrophobicContact CG1-CD1 3.61Å; V256-L260 HydrophobicContact CG1-CD2 3.93Å; V256-L260 HydrophobicContact CG1-CG 3.52Å; V256-L260 WeakPolarHBondContact O-CG 3.13Å; V256-L260 PolarHBondContact O-N 2.85Å
257	K	44	Very low	53.5	Low	119 Å²	119	75.6 Å²	75.6	52%	0.517	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.3	-172	-66.1	-164.9	174.4	176.4	0	113.7	K253 N264	K253-K257 WeakPolarHBondContact O-CE 3.38Å; K253-K257 WeakPolarHBondContact O-CG 3.42Å; K257-N264 WeakPolarHBondContact CE-ND2 3.49Å
258	E	44.3	Very low	55.2	Low	140 Å²	140	74.1 Å²	74.1	65%	0.654	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.6	-172	-63.8	-177.2	170.9	0	0	113.9	K74 V256	K74-E258 PolarHBondContact NZ-O 2.77Å; V256-E258 PolarHBondContact O-N 2.86Å
259	T	48.7	Very low	57.1	Low	68 Å²	68	73.9 Å²	73.9	42%	0.417	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-16.7	-175.3	54.5	0	0	0	0	113.3	V256	V256-T259 PolarHBondContact O-N 3.44Å; V256-T259 PolarHBondContact O-OG1 3.38Å
260	L	55.5	Low	58.8	Low	26 Å²	26	73.4 Å²	73.4	14%	0.136	37%	0.365	C	S	.	.			trans	-82.7	130.1	-178.3	-74.6	-179.5	0	0	0	112.2	V256 Y262 Y267 F309	V256-L260 HydrophobicContact CB-CD1 3.76Å; V256-L260 HydrophobicContact CB-CG 4.11Å; V256-L260 HydrophobicContact CG1-CD1 3.61Å; V256-L260 HydrophobicContact CG1-CD2 3.93Å; V256-L260 HydrophobicContact CG1-CG 3.52Å; V256-L260 WeakPolarHBondContact O-CG 3.13Å; V256-L260 PolarHBondContact O-N 2.85Å; L260-Y262 PolarHBondContact O-N 3.49Å; L260-Y267 HydrophobicContact CB-CE1 4.46Å; L260-Y267 HydrophobicContact CB-CE2 4.01Å; L260-Y267 VanDerWaalsContact CB-OH 3.27Å; L260-Y267 WeakPolarHBondContact CB-OH 3.26Å; L260-Y267 HydrophobicContact CD1-CD1 4.19Å; L260-Y267 HydrophobicContact CD1-CD2 4.15Å; L260-Y267 HydrophobicContact CD1-CE1 3.83Å; L260-Y267 HydrophobicContact CD1-CE2 3.8Å; L260-Y267 HydrophobicContact CD1-CG 4.35Å; L260-Y267 HydrophobicContact CD2-CE1 3.62Å; L260-Y267 HydrophobicContact CG-CE1 4.13Å; L260-Y267 HydrophobicContact CG-CE2 4.33Å; L260-F309 HydrophobicContact CD2-CE1 4.31Å
261	P	57.6	Low	60.8	Low	31 Å²	31	71.1 Å²	71.1	20%	0.201	36%	0.357	C	S	.	.	S	Bend	trans	-75.2	-5.9	-177.3	28.7	-35.1	0	0	0	114.4	Y267 P439	P261-Y267 WeakPolarHBondContact CD-OH 3.38Å; P261-P439 HydrophobicContact CG-CG 4.21Å
262	Y	65.9	Low	63	Low	19 Å²	19	66.8 Å²	66.8	8%	0.075	34%	0.335	C	S	.	.	S	Bend	trans	-124.8	163.2	-175.5	-48	-64.3	0	0	0	110.8	L260 Y267 A307 F309 P439 L441 A497 H499	L260-Y262 PolarHBondContact O-N 3.49Å; Y262-Y267 HydrophobicContact CD2-CE1 4.48Å; Y262-Y267 AromaticContact CD2-CZ 3.86Å; Y262-Y267 WeakPolarHBondContact CD2-OH 3.4Å; Y262-Y267 PolarHBondContact N-OH 2.87Å; Y262-Y267 WeakPolarHBondContact O-CE2 3.42Å; Y262-A307 HydrophobicContact CD2-CB 4.29Å; Y262-A307 HydrophobicContact CE2-CB 3.36Å; Y262-F309 HydrophobicContact CD2-CZ 4.24Å; Y262-F309 HydrophobicContact CE2-CZ 4.09Å; Y262-P439 HydrophobicContact CE2-CG 4.25Å; Y262-L441 WeakPolarHBondContact OH-CD2 3.45Å; Y262-A497 HydrophobicContact CD2-CB 3.56Å; Y262-A497 HydrophobicContact CE2-CB 4.17Å; Y262-A497 HydrophobicContact CG-CB 4.29Å; Y262-H499 HydrophobicContact CD1-CB 4.35Å; Y262-H499 AromaticContact CD1-ND1 3.84Å; Y262-H499 HydrophobicContact CE1-CB 3.76Å; Y262-H499 AromaticContact CE1-CG 3.77Å; Y262-H499 AromaticContact CE1-ND1 3.33Å; Y262-H499 VanDerWaalsContact CE1-ND1 3.33Å; Y262-H499 WeakPolarHBondContact CE1-ND1 3.35Å
263	E	64.5	Low	65.4	Low	147 Å²	147	64.2 Å²	64.2	69%	0.687	33%	0.325	S	S	*	.			trans	-63.3	145.6	174.3	-64.8	-179.6	-177	0	0	111.3	D265 N266 Y267	E263-D265 PolarHBondContact O-N 3.34Å; E263-D265 VanDerWaalsContact O-N 3.13Å; E263-N266 WeakPolarHBondContact O-CB 3.06Å; E263-N266 PolarHBondContact O-N 3.08Å; E263-Y267 WeakPolarHBondContact O-CD2 3.11Å; E263-Y267 WeakPolarHBondContact O-CE2 3.06Å
264	N	63.3	Low	67.6	Low	52 Å²	52	59.4 Å²	59.4	28%	0.278	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-58.6	-31.7	-172.6	-67.7	-43.5	0	0	0	113.8	K257 N266 Y267	K257-N264 WeakPolarHBondContact CE-ND2 3.49Å; N264-N266 PolarHBondContact O-N 3.38Å; N264-Y267 PolarHBondContact O-N 3.38Å
265	D	70.7	Confident	70.4	Confident	124 Å²	124	57 Å²	57	66%	0.663	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-75.6	-8.1	-178.7	-63.9	-21.5	0	0	0	112.8	E263	E263-D265 PolarHBondContact O-N 3.34Å; E263-D265 VanDerWaalsContact O-N 3.13Å
266	N	75.8	Confident	73.1	Confident	35 Å²	35	55.3 Å²	55.3	19%	0.187	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-87.8	-1.7	175.5	-67.8	-4.8	0	0	0	113.1	E263 N264 L298 A497 I498	E263-N266 WeakPolarHBondContact O-CB 3.06Å; E263-N266 PolarHBondContact O-N 3.08Å; N264-N266 PolarHBondContact O-N 3.38Å; N266-L298 VanDerWaalsContact C-CD1 3.44Å; N266-L298 WeakPolarHBondContact O-CD1 3.22Å; N266-A497 CarbonylContact O-C 3.57Å; N266-A497 WeakPolarHBondContact O-CA 3.48Å; N266-A497 VanDerWaalsContact O-CB 3.32Å; N266-A497 WeakPolarHBondContact O-CB 3.35Å; N266-I498 PolarHBondContact ND2-O 3.2Å; N266-I498 VanDerWaalsContact ND2-O 3.15Å; N266-I498 PolarHBondContact O-N 3.04Å; N266-I498 VanDerWaalsContact O-N 3.11Å
267	Y	80.9	Confident	75.5	Confident	53 Å²	53	58.4 Å²	58.4	21%	0.208	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140	-176.9	-73	-93.6	0	0	0	113	L260 P261 Y262 E263 N264 F309 V496 A497	L260-Y267 HydrophobicContact CB-CE1 4.46Å; L260-Y267 HydrophobicContact CB-CE2 4.01Å; L260-Y267 VanDerWaalsContact CB-OH 3.27Å; L260-Y267 WeakPolarHBondContact CB-OH 3.26Å; L260-Y267 HydrophobicContact CD1-CD1 4.19Å; L260-Y267 HydrophobicContact CD1-CD2 4.15Å; L260-Y267 HydrophobicContact CD1-CE1 3.83Å; L260-Y267 HydrophobicContact CD1-CE2 3.8Å; L260-Y267 HydrophobicContact CD1-CG 4.35Å; L260-Y267 HydrophobicContact CD2-CE1 3.62Å; L260-Y267 HydrophobicContact CG-CE1 4.13Å; L260-Y267 HydrophobicContact CG-CE2 4.33Å; P261-Y267 WeakPolarHBondContact CD-OH 3.38Å; Y262-Y267 HydrophobicContact CD2-CE1 4.48Å; Y262-Y267 AromaticContact CD2-CZ 3.86Å; Y262-Y267 WeakPolarHBondContact CD2-OH 3.4Å; Y262-Y267 PolarHBondContact N-OH 2.87Å; Y262-Y267 WeakPolarHBondContact O-CE2 3.42Å; E263-Y267 WeakPolarHBondContact O-CD2 3.11Å; E263-Y267 WeakPolarHBondContact O-CE2 3.06Å; N264-Y267 PolarHBondContact O-N 3.38Å; Y267-F309 HydrophobicContact CD1-CE2 4.25Å; Y267-F309 HydrophobicContact CD1-CZ 4.39Å; Y267-F309 HydrophobicContact CE1-CE1 4.23Å; Y267-F309 AromaticContact CE1-CE2 3.66Å; Y267-F309 HydrophobicContact CE1-CE2 3.66Å; Y267-F309 AromaticContact CE1-CZ 3.41Å; Y267-F309 HydrophobicContact CE1-CZ 3.41Å; Y267-F309 VanDerWaalsContact CE1-CZ 3.41Å; Y267-V496 WeakPolarHBondContact CA-O 3.47Å; Y267-A497 HydrophobicContact CD1-CB 3.85Å; Y267-A497 HydrophobicContact CD2-CB 4.44Å; Y267-A497 HydrophobicContact CE1-CB 3.78Å; Y267-A497 HydrophobicContact CE2-CB 4.37Å; Y267-A497 HydrophobicContact CG-CB 4.17Å
268	F	84.8	Confident	78	Confident	43 Å²	43	54.6 Å²	54.6	19%	0.189	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.5	173.1	-173.5	-115.1	0	0	0	112.5	A270 V293 A295 S296 L298 V496	F268-A270 HydrophobicContact CD1-CB 4Å; F268-A270 HydrophobicContact CE1-CB 4.28Å; F268-V293 HydrophobicContact CD1-CB 4.36Å; F268-V293 HydrophobicContact CD1-CG1 4.11Å; F268-V293 HydrophobicContact CE1-CB 4.44Å; F268-V293 HydrophobicContact CE1-CG1 4.47Å; F268-A295 HydrophobicContact CZ-CB 4.14Å; F268-S296 VanDerWaalsContact CG-CB 3.46Å; F268-L298 HydrophobicContact CB-CD2 4.26Å; F268-V496 HydrophobicContact CB-CG2 4.31Å; F268-V496 PolarHBondContact N-O 3.25Å; F268-V496 WeakPolarHBondContact O-CG2 3.4Å; F268-V496 PolarHBondContact O-N 3.04Å
269	Y	85.8	Confident	80.4	Confident	70 Å²	70	48.8 Å²	48.8	28%	0.275	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	94.7	171	-87.3	-85.8	0	0	0	109.3	F250 K493 I494 P495	F250-Y269 HydrophobicContact CB-CE2 3.81Å; F250-Y269 WeakPolarHBondContact CB-OH 3.34Å; F250-Y269 VanDerWaalsContact CD1-OH 3.22Å; F250-Y269 WeakPolarHBondContact CD1-OH 3.4Å; F250-Y269 WeakPolarHBondContact CD2-OH 3.21Å; F250-Y269 HydrophobicContact CG-CE2 4.48Å; F250-Y269 WeakPolarHBondContact CG-OH 3.37Å; Y269-K493 HydrophobicContact CD1-CB 4.1Å; Y269-K493 HydrophobicContact CG-CB 4.46Å; Y269-I494 CarbonylContact C-O 3.3Å; Y269-I494 WeakPolarHBondContact CA-O 3.4Å; Y269-P495 HydrophobicContact CD1-CB 4.32Å; Y269-P495 HydrophobicContact CE1-CB 3.82Å; Y269-P495 HydrophobicContact CE1-CG 4.03Å
270	A	88.4	Confident	82.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.3	-173.6	0	0	0	0	0	112.1	F268 L291 D292 V293 K493 I494 V496	F268-A270 HydrophobicContact CD1-CB 4Å; F268-A270 HydrophobicContact CE1-CB 4.28Å; A270-L291 HydrophobicContact CB-CB 4Å; A270-D292 WeakPolarHBondContact CA-O 3.47Å; A270-D292 WeakPolarHBondContact CB-O 3.33Å; A270-V293 HydrophobicContact CB-CG1 4.08Å; A270-K493 CarbonylContact O-C 3.53Å; A270-K493 WeakPolarHBondContact O-CA 3.45Å; A270-I494 HydrophobicContact CB-CG1 4.47Å; A270-I494 PolarHBondContact N-O 3.37Å; A270-I494 WeakPolarHBondContact O-CG1 3.29Å; A270-I494 PolarHBondContact O-N 2.99Å; A270-V496 HydrophobicContact CB-CG1 4.29Å; A270-V496 HydrophobicContact CB-CG2 3.97Å
271	S	89.2	Confident	84	Confident	18 Å²	18	58 Å²	58	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	142	172.9	-58.6	0	0	0	0	110.2	A273 L291 D292 H491	S271-A273 PolarHBondContact O-N 2.74Å; S271-L291 CarbonylContact O-C 3.51Å; S271-L291 WeakPolarHBondContact O-CA 3.26Å; S271-D292 PolarHBondContact N-O 3.48Å; S271-D292 PolarHBondContact O-N 3.14Å; S271-H491 WeakPolarHBondContact OG-CB 3.44Å
272	V	92.1	Very high	85.3	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	108.2	173.1	-177.6	0	0	0	0	109.5	N275 I289 L291 L483 I494	V272-N275 HydrophobicContact CG1-CB 4.14Å; V272-I289 HydrophobicContact CG1-CG2 4.15Å; V272-L291 HydrophobicContact CB-CD2 4.5Å; V272-L291 HydrophobicContact CG2-CD2 3.91Å; V272-L483 HydrophobicContact CG2-CB 4.19Å; V272-L483 HydrophobicContact CG2-CD1 3.76Å; V272-I494 HydrophobicContact CG2-CD1 4.29Å; V272-I494 HydrophobicContact CG2-CG1 4.48Å; V272-I494 HydrophobicContact CG2-CG2 4.44Å
273	A	92.6	Very high	86.3	Confident	29 Å²	29	63.6 Å²	63.6	24%	0.24	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-45.7	178.7	0	0	0	0	0	111.7	S271 E290 R454 S485	S271-A273 PolarHBondContact O-N 2.74Å; A273-E290 HydrophobicContact CB-CB 4.33Å; A273-E290 PolarHBondContact N-O 3.27Å; A273-R454 VanDerWaalsContact CB-NH2 3.3Å; A273-S485 PolarHBondContact O-OG 3.31Å
274	V	94.7	Very high	87.6	Confident	28 Å²	28	60.1 Å²	60.1	17%	0.17	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.8	-177.9	-179.6	0	0	0	0	109	Q276 I289 E290 S485	V274-Q276 HydrophobicContact CG1-CB 4.36Å; V274-Q276 VanDerWaalsContact CG1-CD 3.48Å; V274-Q276 HydrophobicContact CG1-CG 3.62Å; V274-I289 CarbonylContact O-C 3.58Å; V274-I289 WeakPolarHBondContact O-CA 3.34Å; V274-E290 HydrophobicContact CB-CB 3.81Å; V274-E290 HydrophobicContact CB-CG 3.8Å; V274-E290 HydrophobicContact CG2-CB 4.08Å; V274-E290 HydrophobicContact CG2-CG 4.04Å; V274-E290 PolarHBondContact N-O 3.09Å; V274-E290 PolarHBondContact O-N 3.38Å; V274-S485 WeakPolarHBondContact CA-OG 3.47Å
275	N	95	Very high	89.1	Confident	18 Å²	18	58.2 Å²	58.2	10%	0.096	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	100.9	168.3	-172.7	-11.1	0	0	0	108.9	V272 R287 H288 I289 L480 L483 S485	V272-N275 HydrophobicContact CG1-CB 4.14Å; N275-R287 PolarHBondContact O-NH2 2.87Å; N275-R287 PolarHBondContact OD1-NE 3.26Å; N275-R287 PolarHBondContact OD1-NH2 2.94Å; N275-H288 CarbonylContact C-O 3.57Å; N275-H288 WeakPolarHBondContact CA-O 3.08Å; N275-I289 HydrophobicContact CB-CG1 4.43Å; N275-L480 PolarHBondContact ND2-O 3.38Å; N275-L483 PolarHBondContact ND2-O 2.96Å; N275-S485 PolarHBondContact N-OG 2.69Å; N275-S485 VanDerWaalsContact N-OG 3.12Å
276	Q	95.1	Very high	90.4	Very high	116 Å²	116	52.3 Å²	52.3	54%	0.542	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.8	-170.5	-69.5	174.3	0.8	0	0	112.2	V274 R287 H288	V274-Q276 HydrophobicContact CG1-CB 4.36Å; V274-Q276 VanDerWaalsContact CG1-CD 3.48Å; V274-Q276 HydrophobicContact CG1-CG 3.62Å; Q276-R287 VanDerWaalsContact C-CZ 3.4Å; Q276-R287 CarbonylContact O-C 3.48Å; Q276-R287 VanDerWaalsContact O-CA 3.28Å; Q276-R287 WeakPolarHBondContact O-CA 3.38Å; Q276-R287 PolarHBondContact O-NE 2.76Å; Q276-H288 PolarHBondContact N-O 2.87Å; Q276-H288 PolarHBondContact O-N 3.36Å
277	E	96.2	Very high	91.4	Very high	76 Å²	76	52.5 Å²	52.5	36%	0.355	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.4	174.6	-172.2	59.3	-127.5	0	0	109.8	Y279 S285 C286 R287	E277-Y279 WeakPolarHBondContact CG-O 3.3Å; E277-Y279 PolarHBondContact OE1-N 3.32Å; E277-S285 VanDerWaalsContact OE1-CA 3.28Å; E277-S285 WeakPolarHBondContact OE1-CA 3.35Å; E277-S285 PolarHBondContact OE1-OG 3.49Å; E277-S285 WeakPolarHBondContact OE2-CB 3.36Å; E277-S285 PolarHBondContact OE2-OG 3.4Å; E277-C286 PolarHBondContact OE1-N 2.96Å; E277-R287 VanDerWaalsContact CB-NH1 3.33Å; E277-R287 WeakPolarHBondContact OE2-CD 3.26Å; E277-R287 IonicContact OE2-NH1 3.37Å; E277-R287 PolarHBondContact OE2-NH1 3.1Å; E277-R287 VanDerWaalsContact OE2-NH1 3.17Å
278	L	96.6	Very high	92.2	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.204	26%	0.255	C	S	.	.			trans	-98.7	-25.1	176.4	-71	171.2	0	0	0	112.9	C286 H288 T458 I560 Y561	L278-C286 HydrophobicContact CB-CB 4.34Å; L278-C286 WeakPolarHBondContact CB-O 3.3Å; L278-C286 PolarHBondContact N-O 3.08Å; L278-H288 HydrophobicContact CD1-CB 3.9Å; L278-H288 HydrophobicContact CD2-CB 3.86Å; L278-H288 HydrophobicContact CG-CB 3.8Å; L278-T458 HydrophobicContact CD1-CG2 3.88Å; L278-I560 HydrophobicContact CB-CB 4.41Å; L278-I560 HydrophobicContact CB-CG2 3.77Å; L278-I560 HydrophobicContact CD1-CB 4.33Å; L278-I560 HydrophobicContact CD1-CG2 4.19Å; L278-Y561 HydrophobicContact CD1-CE1 4.39Å; L278-Y561 HydrophobicContact CD1-CE2 3.85Å; L278-Y561 HydrophobicContact CD2-CD1 4.18Å; L278-Y561 HydrophobicContact CD2-CE1 3.75Å; L278-Y561 HydrophobicContact CD2-CE2 4.47Å
279	Y	95.2	Very high	92.8	Very high	18 Å²	18	48.4 Å²	48.4	7%	0.071	25%	0.246	C	C	.	.			trans	-85.5	140.3	178.4	-69.2	-10.2	0	0	0	111.4	E277 R284 C286 K557 D558 I560	E277-Y279 WeakPolarHBondContact CG-O 3.3Å; E277-Y279 PolarHBondContact OE1-N 3.32Å; Y279-R284 HydrophobicContact CD2-CB 4.08Å; Y279-R284 HydrophobicContact CE2-CB 3.97Å; Y279-C286 HydrophobicContact CD1-CB 3.58Å; Y279-C286 HydrophobicContact CD2-CB 3.83Å; Y279-C286 HydrophobicContact CE1-CB 3.37Å; Y279-C286 HydrophobicContact CE2-CB 3.65Å; Y279-C286 HydrophobicContact CG-CB 3.81Å; Y279-C286 VanDerWaalsContact CZ-CB 3.42Å; Y279-K557 CarbonylContact C-O 3.58Å; Y279-K557 WeakPolarHBondContact CA-O 3.22Å; Y279-D558 HydrophobicContact CD1-CB 3.62Å; Y279-D558 HydrophobicContact CD2-CB 4.45Å; Y279-D558 HydrophobicContact CE1-CB 3.41Å; Y279-D558 VanDerWaalsContact CE1-CB 3.41Å; Y279-D558 HydrophobicContact CE2-CB 4.29Å; Y279-D558 HydrophobicContact CG-CB 4.15Å; Y279-I560 HydrophobicContact CD1-CG2 3.73Å; Y279-I560 HydrophobicContact CE1-CG2 3.49Å; Y279-I560 VanDerWaalsContact CE1-CG2 3.49Å
280	H	91.2	Very high	93.3	Very high	109 Å²	109	46.8 Å²	46.8	51%	0.505	24%	0.241	S	C	.	.	S	Bend	trans	-103.4	127	177.6	-178.2	-90.7	0	0	0	110.4	S282 K557	H280-S282 PolarHBondContact O-N 3.41Å; H280-S282 VanDerWaalsContact O-N 3.07Å; H280-K557 PolarHBondContact N-O 3.08Å; H280-K557 WeakPolarHBondContact O-CA 3.34Å
281	K	88.2	Confident	93.6	Very high	180 Å²	180	46.8 Å²	46.8	78%	0.783	24%	0.241	S	C	*	.	S	Bend	trans	44.9	43.8	177	-63.5	-180	-175.7	178.6	0	113.9
282	S	86.1	Confident	93.8	Very high	38 Å²	38	47.8 Å²	47.8	27%	0.266	25%	0.245	S	C	.	.			trans	-109.2	147.2	-177.5	-175.6	0	0	0	0	111	H280 R284	H280-S282 PolarHBondContact O-N 3.41Å; H280-S282 VanDerWaalsContact O-N 3.07Å; S282-R284 WeakPolarHBondContact CB-O 3.29Å; S282-R284 PolarHBondContact O-N 2.89Å; S282-R284 PolarHBondContact OG-N 3.46Å; S282-R284 PolarHBondContact OG-O 3.38Å
283	S	86.8	Confident	93.7	Very high	128 Å²	128	47.3 Å²	47.3	90%	0.895	24%	0.242	S	C	*	.	S	Bend	trans	-73.7	-16.7	170	58	0	0	0	0	112.8
284	R	91.8	Very high	93.6	Very high	75 Å²	75	49 Å²	49	28%	0.283	25%	0.252	S	S	.	.	S	Bend	trans	-96.3	165.7	171.5	-61.9	-178.2	-61.5	157.8	9	109.5	Y279 S282 R553 D558	Y279-R284 HydrophobicContact CD2-CB 4.08Å; Y279-R284 HydrophobicContact CE2-CB 3.97Å; S282-R284 WeakPolarHBondContact CB-O 3.29Å; S282-R284 PolarHBondContact O-N 2.89Å; S282-R284 PolarHBondContact OG-N 3.46Å; S282-R284 PolarHBondContact OG-O 3.38Å; R284-R553 VanDerWaalsContact NH1-CZ 3.32Å; R284-R553 VanDerWaalsContact NH2-CD 3.25Å; R284-D558 IonicContact CZ-OD2 2.9Å; R284-D558 IonicContact NH2-OD2 3.13Å; R284-D558 PolarHBondContact NH2-OD2 3.09Å
285	S	94.7	Very high	93.1	Very high	11 Å²	11	51.9 Å²	51.9	8%	0.077	28%	0.279	C	S	.	.			trans	-129.5	142.1	177.9	170.2	0	0	0	0	109.6	E277 I461	E277-S285 VanDerWaalsContact OE1-CA 3.28Å; E277-S285 WeakPolarHBondContact OE1-CA 3.35Å; E277-S285 PolarHBondContact OE1-OG 3.49Å; E277-S285 WeakPolarHBondContact OE2-CB 3.36Å; E277-S285 PolarHBondContact OE2-OG 3.4Å; S285-I461 PolarHBondContact O-N 3.4Å; S285-I461 WeakPolarHBondContact OG-CG1 3.48Å
286	C	96.6	Very high	92.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.2	172.6	-175	0	0	0	0	108.2	E277 L278 Y279 A459	E277-C286 PolarHBondContact OE1-N 2.96Å; L278-C286 HydrophobicContact CB-CB 4.34Å; L278-C286 WeakPolarHBondContact CB-O 3.3Å; L278-C286 PolarHBondContact N-O 3.08Å; Y279-C286 HydrophobicContact CD1-CB 3.58Å; Y279-C286 HydrophobicContact CD2-CB 3.83Å; Y279-C286 HydrophobicContact CE1-CB 3.37Å; Y279-C286 HydrophobicContact CE2-CB 3.65Å; Y279-C286 HydrophobicContact CG-CB 3.81Å; Y279-C286 VanDerWaalsContact CZ-CB 3.42Å; C286-A459 CarbonylContact C-O 3.6Å; C286-A459 WeakPolarHBondContact CA-O 3.34Å
287	R	96.9	Very high	92	Very high	39 Å²	39	54.7 Å²	54.7	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.7	-172.9	-54.7	-59.4	-67.5	-174.2	-1.1	110.9	N275 Q276 E277 I289 T458 A459 I461	N275-R287 PolarHBondContact O-NH2 2.87Å; N275-R287 PolarHBondContact OD1-NE 3.26Å; N275-R287 PolarHBondContact OD1-NH2 2.94Å; Q276-R287 VanDerWaalsContact C-CZ 3.4Å; Q276-R287 CarbonylContact O-C 3.48Å; Q276-R287 VanDerWaalsContact O-CA 3.28Å; Q276-R287 WeakPolarHBondContact O-CA 3.38Å; Q276-R287 PolarHBondContact O-NE 2.76Å; E277-R287 VanDerWaalsContact CB-NH1 3.33Å; E277-R287 WeakPolarHBondContact OE2-CD 3.26Å; E277-R287 IonicContact OE2-NH1 3.37Å; E277-R287 PolarHBondContact OE2-NH1 3.1Å; E277-R287 VanDerWaalsContact OE2-NH1 3.17Å; R287-I289 HydrophobicContact CB-CD1 4.15Å; R287-I289 HydrophobicContact CB-CG1 4.02Å; R287-T458 WeakPolarHBondContact O-CA 3.27Å; R287-A459 PolarHBondContact N-O 2.96Å; R287-A459 PolarHBondContact O-N 3.37Å; R287-I461 HydrophobicContact CG-CD1 3.66Å; R287-I461 HydrophobicContact CG-CG1 3.89Å
288	H	97.8	Very high	91.5	Very high	11 Å²	11	52 Å²	52	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.7	158.3	176.6	42.7	0	0	0	108.3	N275 Q276 L278 E290 H456 I457 Y561	N275-H288 CarbonylContact C-O 3.57Å; N275-H288 WeakPolarHBondContact CA-O 3.08Å; Q276-H288 PolarHBondContact N-O 2.87Å; Q276-H288 PolarHBondContact O-N 3.36Å; L278-H288 HydrophobicContact CD1-CB 3.9Å; L278-H288 HydrophobicContact CD2-CB 3.86Å; L278-H288 HydrophobicContact CG-CB 3.8Å; H288-E290 IonicContact NE2-OE1 3.18Å; H288-E290 PolarHBondContact NE2-OE1 2.84Å; H288-H456 AromaticContact CE1-CG 3.76Å; H288-H456 AromaticContact CE1-ND1 3.35Å; H288-H456 PolarHBondContact CE1-ND1 2.88Å; H288-H456 VanDerWaalsContact CE1-ND1 3.35Å; H288-H456 AromaticContact NE2-ND1 3.86Å; H288-I457 WeakPolarHBondContact CA-O 3.34Å; H288-Y561 HydrophobicContact CB-CE1 4.5Å; H288-Y561 PolarHBondContact ND1-OH 2.74Å
289	I	97	Very high	91	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.5	-179.5	-58	171.6	0	0	0	108.7	V272 V274 N275 R287 L291 H456 I457 L480	V272-I289 HydrophobicContact CG1-CG2 4.15Å; V274-I289 CarbonylContact O-C 3.58Å; V274-I289 WeakPolarHBondContact O-CA 3.34Å; N275-I289 HydrophobicContact CB-CG1 4.43Å; R287-I289 HydrophobicContact CB-CD1 4.15Å; R287-I289 HydrophobicContact CB-CG1 4.02Å; I289-L291 HydrophobicContact CG2-CD2 3.83Å; I289-L291 HydrophobicContact CG2-CG 4.43Å; I289-H456 CarbonylContact O-C 3.54Å; I289-H456 WeakPolarHBondContact O-CA 3.22Å; I289-I457 HydrophobicContact CB-CB 4.26Å; I289-I457 PolarHBondContact N-O 2.95Å; I289-I457 PolarHBondContact O-N 3.43Å; I289-L480 HydrophobicContact CD1-CB 3.7Å; I289-L480 HydrophobicContact CD1-CD1 4.16Å; I289-L480 HydrophobicContact CD1-CD2 4.07Å; I289-L480 HydrophobicContact CD1-CG 4.2Å
290	E	96.5	Very high	90.9	Very high	36 Å²	36	60 Å²	60	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.1	171.4	-61.3	-176	-173	0	0	110	A273 V274 H288 R454 H456	A273-E290 HydrophobicContact CB-CB 4.33Å; A273-E290 PolarHBondContact N-O 3.27Å; V274-E290 HydrophobicContact CB-CB 3.81Å; V274-E290 HydrophobicContact CB-CG 3.8Å; V274-E290 HydrophobicContact CG2-CB 4.08Å; V274-E290 HydrophobicContact CG2-CG 4.04Å; V274-E290 PolarHBondContact N-O 3.09Å; V274-E290 PolarHBondContact O-N 3.38Å; H288-E290 IonicContact NE2-OE1 3.18Å; H288-E290 PolarHBondContact NE2-OE1 2.84Å; E290-R454 IonicContact OE2-NE 3.44Å; E290-H456 IonicContact OE1-CE1 2.81Å; E290-H456 PolarHBondContact OE1-CE1 2.85Å; E290-H456 VanDerWaalsContact OE1-CE1 3.3Å; E290-H456 IonicContact OE1-ND1 3.96Å; E290-H456 IonicContact OE1-NE2 3.13Å
291	L	94.4	Very high	91.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.4	178.4	-57	-175.8	0	0	0	109.9	A270 S271 V272 I289 I306 I308 R454 I455 I457 I494 V496	A270-L291 HydrophobicContact CB-CB 4Å; S271-L291 CarbonylContact O-C 3.51Å; S271-L291 WeakPolarHBondContact O-CA 3.26Å; V272-L291 HydrophobicContact CB-CD2 4.5Å; V272-L291 HydrophobicContact CG2-CD2 3.91Å; I289-L291 HydrophobicContact CG2-CD2 3.83Å; I289-L291 HydrophobicContact CG2-CG 4.43Å; L291-I306 HydrophobicContact CD1-CD1 3.72Å; L291-I308 HydrophobicContact CD1-CD1 3.98Å; L291-R454 VanDerWaalsContact O-CA 3.31Å; L291-R454 WeakPolarHBondContact O-CA 3.35Å; L291-I455 PolarHBondContact N-O 2.91Å; L291-I455 PolarHBondContact O-N 3.19Å; L291-I457 HydrophobicContact CD1-CD1 3.75Å; L291-I457 HydrophobicContact CG-CD1 4.32Å; L291-I494 HydrophobicContact CD1-CD1 3.9Å; L291-I494 HydrophobicContact CD2-CD1 3.58Å; L291-I494 HydrophobicContact CD2-CG1 4.23Å; L291-I494 HydrophobicContact CG-CD1 4.42Å; L291-V496 HydrophobicContact CD1-CG1 3.92Å
292	D	93.4	Very high	91.5	Very high	38 Å²	38	53 Å²	53	20%	0.203	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.5	174	-166.5	-14.9	0	0	0	110.5	A270 S271 S294 R454	A270-D292 WeakPolarHBondContact CA-O 3.47Å; A270-D292 WeakPolarHBondContact CB-O 3.33Å; S271-D292 PolarHBondContact N-O 3.48Å; S271-D292 PolarHBondContact O-N 3.14Å; D292-S294 WeakPolarHBondContact OD1-CB 3.49Å; D292-S294 PolarHBondContact OD1-N 3.4Å; D292-S294 PolarHBondContact OD1-OG 3.42Å; D292-R454 VanDerWaalsContact CB-NH1 3.28Å; D292-R454 IonicContact OD1-NH1 3.13Å; D292-R454 PolarHBondContact OD1-NH1 2.89Å; D292-R454 IonicContact OD2-CZ 3.6Å; D292-R454 IonicContact OD2-NH1 3.38Å; D292-R454 PolarHBondContact OD2-NH1 2.82Å
293	V	90.6	Very high	91.8	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	27%	0.265	C	S	.	.			trans	-120.2	14.1	176.9	-60	0	0	0	0	112.2	F268 A270 A295 S296 L298 N453 I455	F268-V293 HydrophobicContact CD1-CB 4.36Å; F268-V293 HydrophobicContact CD1-CG1 4.11Å; F268-V293 HydrophobicContact CE1-CB 4.44Å; F268-V293 HydrophobicContact CE1-CG1 4.47Å; A270-V293 HydrophobicContact CB-CG1 4.08Å; V293-A295 VanDerWaalsContact C-N 3.26Å; V293-A295 PolarHBondContact O-N 3.2Å; V293-S296 WeakPolarHBondContact O-CB 3.34Å; V293-S296 PolarHBondContact O-N 3.37Å; V293-S296 PolarHBondContact O-OG 3.35Å; V293-L298 HydrophobicContact CG1-CD2 4.27Å; V293-N453 PolarHBondContact N-O 3.45Å; V293-I455 HydrophobicContact CG1-CD1 4.01Å; V293-I455 HydrophobicContact CG1-CG1 4.25Å; V293-I455 HydrophobicContact CG2-CD1 4.18Å; V293-I455 HydrophobicContact CG2-CG1 3.99Å
294	S	90	Very high	92.2	Very high	65 Å²	65	45.2 Å²	45.2	46%	0.455	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.4	-178.3	57.1	0	0	0	0	113.8	D292 S296	D292-S294 WeakPolarHBondContact OD1-CB 3.49Å; D292-S294 PolarHBondContact OD1-N 3.4Å; D292-S294 PolarHBondContact OD1-OG 3.42Å; S294-S296 PolarHBondContact O-N 3.43Å
295	A	85.2	Confident	92.3	Very high	87 Å²	87	42.7 Å²	42.7	72%	0.719	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	13.8	177.9	0	0	0	0	0	113.6	F268 V293	F268-A295 HydrophobicContact CZ-CB 4.14Å; V293-A295 VanDerWaalsContact C-N 3.26Å; V293-A295 PolarHBondContact O-N 3.2Å
296	S	84.6	Confident	92.3	Very high	21 Å²	21	42.2 Å²	42.2	15%	0.147	21%	0.211	C	C	.	.	S	Bend	trans	-119.7	161.6	-178.4	84.4	0	0	0	0	111.8	F268 V293 S294 L298	F268-S296 VanDerWaalsContact CG-CB 3.46Å; V293-S296 WeakPolarHBondContact O-CB 3.34Å; V293-S296 PolarHBondContact O-N 3.37Å; V293-S296 PolarHBondContact O-OG 3.35Å; S294-S296 PolarHBondContact O-N 3.43Å; S296-L298 WeakPolarHBondContact OG-CB 3.35Å; S296-L298 PolarHBondContact OG-N 2.96Å; S296-L298 VanDerWaalsContact OG-N 3.08Å
297	Q	82.9	Confident	92.1	Very high	173 Å²	173	42.2 Å²	42.2	81%	0.808	21%	0.211	S	C	*	.			trans	-92.6	13.6	165.4	-64.9	-62.4	-36	0	0	111.9	R299	Q297-R299 PolarHBondContact O-N 2.99Å
298	L	84.2	Confident	91.8	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	20%	0.204	C	C	.	.			trans	-65.1	129.2	-175.5	-162.3	71.4	0	0	0	109.5	N266 F268 V293 S296 I455 I498	N266-L298 VanDerWaalsContact C-CD1 3.44Å; N266-L298 WeakPolarHBondContact O-CD1 3.22Å; F268-L298 HydrophobicContact CB-CD2 4.26Å; V293-L298 HydrophobicContact CG1-CD2 4.27Å; S296-L298 WeakPolarHBondContact OG-CB 3.35Å; S296-L298 PolarHBondContact OG-N 2.96Å; S296-L298 VanDerWaalsContact OG-N 3.08Å; L298-I455 HydrophobicContact CD2-CD1 4.16Å; L298-I498 HydrophobicContact CD1-CG1 3.77Å; L298-I498 HydrophobicContact CD2-CD1 3.91Å; L298-I498 HydrophobicContact CD2-CG1 3.67Å; L298-I498 HydrophobicContact CG-CD1 4.3Å; L298-I498 HydrophobicContact CG-CG1 3.57Å
299	R	87.5	Confident	91.5	Very high	207 Å²	207	41.7 Å²	41.7	78%	0.781	21%	0.21	S	C	*	.			trans	-119.6	141.2	176.3	-62.6	-176.1	-176.1	-151.5	-1.8	109.1	Q297	Q297-R299 PolarHBondContact O-N 2.99Å
300	Y	93.5	Very high	91.2	Very high	19 Å²	19	42 Å²	42	8%	0.075	21%	0.212	C	C	.	.			trans	-134.3	157.8	172.3	77.7	-79.4	0	0	0	109.4	I444 S446 S447 S448 H451 R454 I455	Y300-I444 HydrophobicContact CD2-CD1 3.64Å; Y300-I444 HydrophobicContact CD2-CG2 3.95Å; Y300-I444 HydrophobicContact CE2-CD1 4.35Å; Y300-I444 HydrophobicContact CE2-CG2 3.55Å; Y300-I444 HydrophobicContact CG-CD1 4Å; Y300-S446 WeakPolarHBondContact CE2-O 3.34Å; Y300-S446 PolarHBondContact OH-OG 2.9Å; Y300-S447 PolarHBondContact OH-O 2.95Å; Y300-S448 VanDerWaalsContact O-CB 3.23Å; Y300-S448 WeakPolarHBondContact O-CB 3.28Å; Y300-S448 WeakPolarHBondContact OH-CA 3.5Å; Y300-S448 PolarHBondContact OH-N 3.45Å; Y300-H451 PolarHBondContact OH-O 2.85Å; Y300-R454 PolarHBondContact OH-O 2.7Å; Y300-I455 HydrophobicContact CD1-CD1 3.91Å; Y300-I455 HydrophobicContact CD1-CG1 3.9Å; Y300-I455 HydrophobicContact CE1-CD1 4.3Å; Y300-I455 HydrophobicContact CE1-CG1 3.77Å; Y300-I455 HydrophobicContact CG-CD1 4.4Å
301	K	94.1	Very high	91	Very high	136 Å²	136	41.1 Å²	41.1	59%	0.591	21%	0.21	S	C	*	.			trans	-105.4	148.4	168.9	-64.4	175.2	-176.3	167.6	0	109.2	G303 D304	K301-G303 PolarHBondContact O-N 2.79Å; K301-G303 VanDerWaalsContact O-N 3.1Å; K301-D304 PolarHBondContact N-OD2 3.14Å; K301-D304 VanDerWaalsContact O-CB 3.28Å; K301-D304 WeakPolarHBondContact O-CB 3.23Å; K301-D304 PolarHBondContact O-N 3.38Å
302	T	96	Very high	91	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	115.7	169.7	-55.8	0	0	0	0	110	S447 S448 N504 A527 F528 E531	T302-S447 WeakPolarHBondContact OG1-CA 3.47Å; T302-S447 PolarHBondContact OG1-OG 3.46Å; T302-S448 PolarHBondContact N-OG 2.6Å; T302-S448 PolarHBondContact OG1-N 2.93Å; T302-S448 VanDerWaalsContact OG1-N 3.09Å; T302-S448 PolarHBondContact OG1-OG 3.32Å; T302-N504 PolarHBondContact O-OD1 3.35Å; T302-A527 HydrophobicContact CG2-CB 3.67Å; T302-A527 WeakPolarHBondContact CG2-O 3.3Å; T302-F528 HydrophobicContact CG2-CD1 3.65Å; T302-F528 HydrophobicContact CG2-CE1 4.13Å; T302-E531 WeakPolarHBondContact CB-OE2 3.45Å; T302-E531 HydrophobicContact CG2-CB 4.11Å; T302-E531 PolarHBondContact OG1-OE2 2.89Å
303	G	93.8	Very high	91	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.8	-10.7	-173.9	0	0	0	0	0	115.1	K301 S501 F503	K301-G303 PolarHBondContact O-N 2.79Å; K301-G303 VanDerWaalsContact O-N 3.1Å; G303-S501 WeakPolarHBondContact O-CB 3.47Å; G303-S501 PolarHBondContact O-OG 3.4Å; G303-F503 WeakPolarHBondContact CA-O 3.48Å
304	D	94.7	Very high	91.1	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.237	C	C	.	.			trans	-69.3	167.4	171.6	-73.2	-20	0	0	0	111.8	K301 I444 I498 T500 S501	K301-D304 PolarHBondContact N-OD2 3.14Å; K301-D304 VanDerWaalsContact O-CB 3.28Å; K301-D304 WeakPolarHBondContact O-CB 3.23Å; K301-D304 PolarHBondContact O-N 3.38Å; D304-I444 HydrophobicContact CB-CD1 4.1Å; D304-I444 WeakPolarHBondContact O-CB 3.37Å; D304-I444 VanDerWaalsContact O-CG1 3.32Å; D304-I444 WeakPolarHBondContact O-CG1 3.32Å; D304-I444 PolarHBondContact O-N 3.35Å; D304-I498 HydrophobicContact CB-CG2 4.34Å; D304-T500 WeakPolarHBondContact OD1-CA 3.32Å; D304-S501 PolarHBondContact OD1-N 3.24Å
305	H	94.3	Very high	91.4	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.102	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.8	173.5	-54.6	94.2	0	0	0	111	L441 Y442 H499 S501 D662	H305-L441 HydrophobicContact CB-CD2 4.01Å; H305-Y442 CarbonylContact C-O 3.55Å; H305-Y442 VanDerWaalsContact CA-O 3.32Å; H305-Y442 WeakPolarHBondContact CA-O 3.21Å; H305-H499 HydrophobicContact CB-CB 4.26Å; H305-H499 PolarHBondContact N-O 3.47Å; H305-H499 AromaticContact ND1-CD2 3.98Å; H305-H499 PolarHBondContact O-N 3.5Å; H305-S501 WeakPolarHBondContact ND1-CB 3.36Å; H305-D662 IonicContact CD2-OD1 3.15Å; H305-D662 IonicContact CD2-OD2 3.17Å; H305-D662 IonicContact CE1-OD1 3.92Å; H305-D662 PolarHBondContact CE1-OD1 2.98Å; H305-D662 VanDerWaalsContact NE2-CG 3.26Å; H305-D662 IonicContact NE2-OD1 3.17Å; H305-D662 PolarHBondContact NE2-OD1 3.43Å; H305-D662 IonicContact NE2-OD2 2.65Å; H305-D662 PolarHBondContact NE2-OD2 3.46Å; H305-D662 VanDerWaalsContact NE2-OD2 3.13Å
306	I	94.5	Very high	91.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.3	167.8	-174.1	159.6	0	0	0	109.9	L291 I308 L441 Y442 I444 I455 I457 V496	L291-I306 HydrophobicContact CD1-CD1 3.72Å; I306-I308 HydrophobicContact CD1-CD1 4.29Å; I306-I308 HydrophobicContact CG1-CD1 3.97Å; I306-L441 WeakPolarHBondContact O-CA 3.26Å; I306-Y442 PolarHBondContact N-O 3.22Å; I306-Y442 PolarHBondContact O-N 2.91Å; I306-I444 HydrophobicContact CB-CD1 4.25Å; I306-I444 HydrophobicContact CB-CG1 3.99Å; I306-I444 HydrophobicContact CG2-CG1 4.01Å; I306-I455 HydrophobicContact CB-CG2 4.35Å; I306-I455 HydrophobicContact CD1-CB 4.28Å; I306-I455 HydrophobicContact CD1-CD1 4.19Å; I306-I455 HydrophobicContact CD1-CG2 3.73Å; I306-I455 HydrophobicContact CG2-CG2 4.37Å; I306-I457 HydrophobicContact CG2-CD1 3.71Å; I306-I457 HydrophobicContact CG2-CG1 3.66Å; I306-V496 HydrophobicContact CD1-CB 3.93Å; I306-V496 HydrophobicContact CD1-CG1 4.18Å; I306-V496 HydrophobicContact CD1-CG2 4.14Å; I306-V496 HydrophobicContact CG1-CB 4.08Å
307	A	92	Very high	92.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.9	173.3	0	0	0	0	0	109.8	Y262 F309 P439 L441 V496 A497	Y262-A307 HydrophobicContact CD2-CB 4.29Å; Y262-A307 HydrophobicContact CE2-CB 3.36Å; A307-F309 HydrophobicContact CB-CE2 4.16Å; A307-P439 HydrophobicContact CB-CB 4.06Å; A307-L441 HydrophobicContact CB-CD2 3.8Å; A307-V496 CarbonylContact O-C 3.57Å; A307-V496 WeakPolarHBondContact O-CA 3.3Å; A307-A497 HydrophobicContact CB-CB 4.29Å; A307-A497 WeakPolarHBondContact CB-O 3.28Å; A307-A497 PolarHBondContact N-O 3.01Å; A307-A497 PolarHBondContact O-N 2.85Å
308	I	91.7	Very high	93.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.4	177.8	-57.9	-56.8	0	0	0	109.8	L291 I306 A310 P439 R440 Y442 I457 W479 L480 I494 V496	L291-I308 HydrophobicContact CD1-CD1 3.98Å; I306-I308 HydrophobicContact CD1-CD1 4.29Å; I306-I308 HydrophobicContact CG1-CD1 3.97Å; I308-A310 PolarHBondContact O-N 3.22Å; I308-P439 CarbonylContact O-C 3.54Å; I308-P439 VanDerWaalsContact O-CA 3.29Å; I308-P439 WeakPolarHBondContact O-CA 3.42Å; I308-R440 PolarHBondContact N-O 3.23Å; I308-R440 PolarHBondContact O-N 2.94Å; I308-Y442 HydrophobicContact CB-CD2 4.32Å; I308-Y442 HydrophobicContact CB-CE2 4.01Å; I308-Y442 HydrophobicContact CG1-CD2 3.65Å; I308-Y442 HydrophobicContact CG1-CE2 3.74Å; I308-I457 HydrophobicContact CD1-CD1 3.82Å; I308-I457 HydrophobicContact CG1-CD1 4.07Å; I308-W479 HydrophobicContact CG2-CE3 4.15Å; I308-W479 HydrophobicContact CG2-CZ3 3.57Å; I308-L480 HydrophobicContact CG2-CD2 4.13Å; I308-L480 HydrophobicContact CG2-CG 4.45Å; I308-I494 HydrophobicContact CD1-CD1 4.28Å; I308-V496 HydrophobicContact CD1-CB 4.27Å; I308-V496 HydrophobicContact CD1-CG1 3.47Å; I308-V496 VanDerWaalsContact CD1-CG1 3.47Å
309	F	89.8	Confident	93.9	Very high	39 Å²	39	41.2 Å²	41.2	17%	0.171	19%	0.193	C	C	.	.			trans	-94.2	77.4	178	-63.3	-99.4	0	0	0	109.2	L260 Y262 Y267 A307 P439 P495 A497	L260-F309 HydrophobicContact CD2-CE1 4.31Å; Y262-F309 HydrophobicContact CD2-CZ 4.24Å; Y262-F309 HydrophobicContact CE2-CZ 4.09Å; Y267-F309 HydrophobicContact CD1-CE2 4.25Å; Y267-F309 HydrophobicContact CD1-CZ 4.39Å; Y267-F309 HydrophobicContact CE1-CE1 4.23Å; Y267-F309 AromaticContact CE1-CE2 3.66Å; Y267-F309 HydrophobicContact CE1-CE2 3.66Å; Y267-F309 AromaticContact CE1-CZ 3.41Å; Y267-F309 HydrophobicContact CE1-CZ 3.41Å; Y267-F309 VanDerWaalsContact CE1-CZ 3.41Å; A307-F309 HydrophobicContact CB-CE2 4.16Å; F309-P439 HydrophobicContact CD1-CB 3.84Å; F309-P439 HydrophobicContact CD1-CG 4.31Å; F309-P439 HydrophobicContact CD2-CB 4.22Å; F309-P439 HydrophobicContact CE1-CB 3.66Å; F309-P439 HydrophobicContact CE1-CG 3.73Å; F309-P439 HydrophobicContact CE2-CB 4.04Å; F309-P439 HydrophobicContact CG-CB 4.1Å; F309-P439 HydrophobicContact CZ-CB 3.74Å; F309-P439 HydrophobicContact CZ-CG 3.89Å; F309-P495 HydrophobicContact CB-CB 4Å; F309-P495 HydrophobicContact CB-CG 3.8Å; F309-P495 HydrophobicContact CD2-CB 4.43Å; F309-P495 WeakPolarHBondContact CD2-O 3.49Å; F309-P495 HydrophobicContact CG-CB 4.48Å; F309-P495 PolarHBondContact N-O 3.37Å; F309-P495 VanDerWaalsContact N-O 3.17Å; F309-A497 HydrophobicContact CE2-CB 3.95Å; F309-A497 HydrophobicContact CZ-CB 4.5Å
310	A	91.6	Very high	94.4	Very high	6 Å²	6	31.3 Å²	31.3	5%	0.05	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-68.7	146.1	179.7	0	0	0	0	0	111.4	I308 L437 L475 A476 W479	I308-A310 PolarHBondContact O-N 3.22Å; A310-L437 VanDerWaalsContact O-CD2 3.24Å; A310-L437 WeakPolarHBondContact O-CD2 3.09Å; A310-L475 HydrophobicContact CB-CG 4.47Å; A310-A476 HydrophobicContact CB-CB 3.87Å; A310-W479 HydrophobicContact CB-CB 4.09Å; A310-W479 HydrophobicContact CB-CD2 3.81Å; A310-W479 HydrophobicContact CB-CE3 3.62Å; A310-W479 HydrophobicContact CB-CG 4.04Å; A310-W479 HydrophobicContact CB-CZ3 4.22Å
311	S	91.2	Very high	94.6	Very high	18 Å²	18	30.6 Å²	30.6	13%	0.126	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-94.5	148.6	175.5	-54.9	0	0	0	0	111	M358 H359 L475	S311-M358 WeakPolarHBondContact CA-O 3.39Å; S311-H359 PolarHBondContact OG-CE1 3.31Å; S311-H359 PolarHBondContact OG-ND1 3.11Å; S311-L475 WeakPolarHBondContact O-CD1 3.35Å
312	N	94.6	Very high	94.8	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-61.2	147.6	171.5	-69	-52.4	0	0	0	111.1	L314 V317 F357 M358 V361 I363 L475	N312-L314 PolarHBondContact O-N 3.19Å; N312-V317 HydrophobicContact CB-CG2 4.27Å; N312-F357 PolarHBondContact ND2-O 2.98Å; N312-M358 PolarHBondContact N-O 3.43Å; N312-V361 PolarHBondContact ND2-O 3.32Å; N312-I363 HydrophobicContact CB-CD1 3.77Å; N312-I363 HydrophobicContact CB-CG1 3.98Å; N312-L475 WeakPolarHBondContact OD1-CD2 3.34Å
313	P	93.7	Very high	94.8	Very high	46 Å²	46	31.8 Å²	31.8	30%	0.299	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-60.8	131.5	177.7	-21.6	33.4	0	0	0	111.3	D315 L316 V317 L475	P313-D315 WeakPolarHBondContact CB-OD1 3.23Å; P313-D315 PolarHBondContact O-N 3.33Å; P313-L316 HydrophobicContact CB-CB 4.49Å; P313-L316 HydrophobicContact CB-CD1 4.38Å; P313-L316 HydrophobicContact CB-CG 4.18Å; P313-L316 HydrophobicContact CG-CD1 4.01Å; P313-L316 HydrophobicContact CG-CG 4.36Å; P313-L316 PolarHBondContact O-N 2.79Å; P313-V317 PolarHBondContact O-N 3.05Å; P313-L475 HydrophobicContact CG-CD1 4.44Å
314	L	93.3	Very high	95	Very high	91 Å²	91	32.8 Å²	32.8	48%	0.476	17%	0.172	S	C	.	.	H	α-helix	trans	-57.6	-38.5	-178.4	-177.8	62.2	0	0	0	111.7	N312 L316 V317 E318 M358	N312-L314 PolarHBondContact O-N 3.19Å; L314-L316 VanDerWaalsContact C-N 3.27Å; L314-L316 PolarHBondContact O-N 2.93Å; L314-V317 PolarHBondContact O-N 3.05Å; L314-V317 VanDerWaalsContact O-N 3.08Å; L314-E318 HydrophobicContact CD1-CG 4.43Å; L314-E318 HydrophobicContact CG-CG 4.31Å; L314-E318 WeakPolarHBondContact O-CG 3.27Å; L314-E318 PolarHBondContact O-N 3.19Å; L314-M358 HydrophobicContact CD1-SD 4.47Å
315	D	95.7	Very high	95.1	Very high	89 Å²	89	40 Å²	40	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-30.8	178.3	65.1	-57.8	0	0	0	113.4	P313 K319	P313-D315 WeakPolarHBondContact CB-OD1 3.23Å; P313-D315 PolarHBondContact O-N 3.33Å; D315-K319 WeakPolarHBondContact O-CD 3.4Å; D315-K319 VanDerWaalsContact O-CG 3.24Å; D315-K319 WeakPolarHBondContact O-CG 3.42Å; D315-K319 PolarHBondContact O-N 3.25Å
316	L	96.3	Very high	95.2	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.199	22%	0.215	C	C	.	.	H	α-helix	trans	-75.7	-37.3	173	-65	-174	0	0	0	111.5	P313 L314 K319 I320 I363 T364 V414	P313-L316 HydrophobicContact CB-CB 4.49Å; P313-L316 HydrophobicContact CB-CD1 4.38Å; P313-L316 HydrophobicContact CB-CG 4.18Å; P313-L316 HydrophobicContact CG-CD1 4.01Å; P313-L316 HydrophobicContact CG-CG 4.36Å; P313-L316 PolarHBondContact O-N 2.79Å; L314-L316 VanDerWaalsContact C-N 3.27Å; L314-L316 PolarHBondContact O-N 2.93Å; L316-K319 HydrophobicContact CD2-CD 4.36Å; L316-K319 PolarHBondContact O-N 2.96Å; L316-I320 WeakPolarHBondContact O-CG1 3.13Å; L316-I320 PolarHBondContact O-N 2.84Å; L316-I320 VanDerWaalsContact O-N 3.15Å; L316-I363 HydrophobicContact CB-CD1 3.87Å; L316-T364 HydrophobicContact CD1-CG2 4.07Å; L316-V414 HydrophobicContact CB-CG2 4.18Å; L316-V414 HydrophobicContact CD2-CB 4.43Å; L316-V414 HydrophobicContact CD2-CG1 4.32Å; L316-V414 HydrophobicContact CD2-CG2 4.33Å
317	V	97.4	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-45.3	176.5	177.6	0	0	0	0	110.9	N312 P313 L314 K319 I320 G321 L328 R354 F357 M358 I363	N312-V317 HydrophobicContact CB-CG2 4.27Å; P313-V317 PolarHBondContact O-N 3.05Å; L314-V317 PolarHBondContact O-N 3.05Å; L314-V317 VanDerWaalsContact O-N 3.08Å; V317-K319 VanDerWaalsContact C-N 3.33Å; V317-K319 PolarHBondContact O-N 3.29Å; V317-I320 WeakPolarHBondContact O-CB 3.42Å; V317-I320 PolarHBondContact O-N 3.32Å; V317-I320 VanDerWaalsContact O-N 3.17Å; V317-G321 PolarHBondContact O-N 2.8Å; V317-L328 HydrophobicContact CG1-CD1 4.25Å; V317-L328 HydrophobicContact CG1-CD2 4.32Å; V317-L328 WeakPolarHBondContact O-CD1 3.44Å; V317-R354 HydrophobicContact CG1-CG 4.28Å; V317-F357 HydrophobicContact CG1-CB 3.98Å; V317-F357 HydrophobicContact CG2-CB 4.19Å; V317-M358 HydrophobicContact CG2-CB 4.27Å; V317-I363 HydrophobicContact CG2-CD1 4Å
318	E	98.1	Very high	95.4	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-43.6	175.1	-59.8	-59.2	173.1	0	0	111.2	L314 I320 G321 D322 L328 R354	L314-E318 HydrophobicContact CD1-CG 4.43Å; L314-E318 HydrophobicContact CG-CG 4.31Å; L314-E318 WeakPolarHBondContact O-CG 3.27Å; L314-E318 PolarHBondContact O-N 3.19Å; E318-I320 VanDerWaalsContact C-N 3.28Å; E318-I320 PolarHBondContact O-N 3.25Å; E318-G321 WeakPolarHBondContact O-CA 3.39Å; E318-G321 PolarHBondContact O-N 2.88Å; E318-D322 PolarHBondContact O-N 3.34Å; E318-L328 VanDerWaalsContact OE2-CD1 3.23Å; E318-L328 WeakPolarHBondContact OE2-CD1 3.33Å; E318-R354 IonicContact OE1-CZ 3.69Å; E318-R354 VanDerWaalsContact OE1-CZ 3.29Å; E318-R354 IonicContact OE1-NH1 2.76Å; E318-R354 PolarHBondContact OE1-NH1 2.92Å; E318-R354 IonicContact OE1-NH2 3.34Å; E318-R354 PolarHBondContact OE1-NH2 3.13Å; E318-R354 IonicContact OE2-CZ 3.86Å; E318-R354 IonicContact OE2-NH1 2.67Å; E318-R354 PolarHBondContact OE2-NH1 3.43Å; E318-R354 IonicContact OE2-NH2 2.74Å; E318-R354 PolarHBondContact OE2-NH2 2.83Å
319	K	97.6	Very high	95.4	Very high	76 Å²	76	49.9 Å²	49.9	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-35.5	176.2	-78	171.3	-175.5	170.8	0	113.4	D315 L316 V317 G321 D322 L323 V414	D315-K319 WeakPolarHBondContact O-CD 3.4Å; D315-K319 VanDerWaalsContact O-CG 3.24Å; D315-K319 WeakPolarHBondContact O-CG 3.42Å; D315-K319 PolarHBondContact O-N 3.25Å; L316-K319 HydrophobicContact CD2-CD 4.36Å; L316-K319 PolarHBondContact O-N 2.96Å; V317-K319 VanDerWaalsContact C-N 3.33Å; V317-K319 PolarHBondContact O-N 3.29Å; K319-G321 VanDerWaalsContact C-N 3.33Å; K319-D322 PolarHBondContact O-N 3.03Å; K319-L323 VanDerWaalsContact O-CB 3.27Å; K319-L323 WeakPolarHBondContact O-CB 3.4Å; K319-L323 WeakPolarHBondContact O-CD1 3.47Å; K319-L323 WeakPolarHBondContact O-CG 3.4Å; K319-L323 PolarHBondContact O-N 3.18Å; K319-V414 HydrophobicContact CB-CG1 4.07Å; K319-V414 HydrophobicContact CD-CG1 3.99Å
320	I	98.1	Very high	95.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-44.3	173.8	-67.2	169.8	0	0	0	109.7	L316 V317 E318 D322 L323 L324 F357 I363 L413 V414 L417	L316-I320 WeakPolarHBondContact O-CG1 3.13Å; L316-I320 PolarHBondContact O-N 2.84Å; L316-I320 VanDerWaalsContact O-N 3.15Å; V317-I320 WeakPolarHBondContact O-CB 3.42Å; V317-I320 PolarHBondContact O-N 3.32Å; V317-I320 VanDerWaalsContact O-N 3.17Å; E318-I320 VanDerWaalsContact C-N 3.28Å; E318-I320 PolarHBondContact O-N 3.25Å; I320-D322 PolarHBondContact O-N 3Å; I320-L323 PolarHBondContact O-N 2.8Å; I320-L324 HydrophobicContact CG2-CD1 3.66Å; I320-L324 HydrophobicContact CG2-CG 4.31Å; I320-L324 WeakPolarHBondContact O-CB 3.49Å; I320-L324 WeakPolarHBondContact O-CG 3.42Å; I320-L324 PolarHBondContact O-N 3.21Å; I320-F357 HydrophobicContact CD1-CD1 4.09Å; I320-F357 HydrophobicContact CD1-CE1 4.47Å; I320-F357 HydrophobicContact CD1-CG 4.37Å; I320-F357 HydrophobicContact CG2-CD2 4.26Å; I320-F357 HydrophobicContact CG2-CE1 4.27Å; I320-F357 HydrophobicContact CG2-CE2 3.91Å; I320-F357 HydrophobicContact CG2-CZ 3.92Å; I320-I363 HydrophobicContact CD1-CB 4.08Å; I320-I363 HydrophobicContact CD1-CD1 3.77Å; I320-I363 HydrophobicContact CD1-CG2 3.83Å; I320-L413 HydrophobicContact CD1-CD2 3.89Å; I320-L413 HydrophobicContact CG1-CD2 4.48Å; I320-V414 HydrophobicContact CD1-CG2 4.07Å; I320-V414 HydrophobicContact CG1-CG2 3.66Å; I320-L417 HydrophobicContact CG1-CD1 4.47Å
321	G	97.9	Very high	95.4	Very high	4 Å²	4	51 Å²	51	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-51.3	174.1	0	0	0	0	0	112.4	V317 E318 K319 N325 I326	V317-G321 PolarHBondContact O-N 2.8Å; E318-G321 WeakPolarHBondContact O-CA 3.39Å; E318-G321 PolarHBondContact O-N 2.88Å; K319-G321 VanDerWaalsContact C-N 3.33Å; G321-N325 WeakPolarHBondContact O-CA 3.24Å; G321-N325 PolarHBondContact O-N 2.79Å; G321-I326 PolarHBondContact O-N 2.75Å; G321-I326 VanDerWaalsContact O-N 3.12Å
322	D	97.8	Very high	95.5	Very high	126 Å²	126	50.1 Å²	50.1	67%	0.674	26%	0.262	S	S	*	.	H	α-helix	trans	-63.7	-47	179.6	-63.3	-24.9	0	0	0	112.3	E318 K319 I320 N325	E318-D322 PolarHBondContact O-N 3.34Å; K319-D322 PolarHBondContact O-N 3.03Å; I320-D322 PolarHBondContact O-N 3Å; D322-N325 PolarHBondContact O-N 3Å
323	L	97.6	Very high	95.4	Very high	39 Å²	39	50.2 Å²	50.2	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-36.4	-175.9	-72.6	165.1	0	0	0	112.3	K319 I320 V414 L417 Q418 R424	K319-L323 VanDerWaalsContact O-CB 3.27Å; K319-L323 WeakPolarHBondContact O-CB 3.4Å; K319-L323 WeakPolarHBondContact O-CD1 3.47Å; K319-L323 WeakPolarHBondContact O-CG 3.4Å; K319-L323 PolarHBondContact O-N 3.18Å; I320-L323 PolarHBondContact O-N 2.8Å; L323-V414 HydrophobicContact CD1-CG1 4.34Å; L323-L417 HydrophobicContact CB-CB 4.43Å; L323-L417 HydrophobicContact CD1-CB 3.74Å; L323-Q418 HydrophobicContact CD1-CG 3.7Å; L323-Q418 HydrophobicContact CD2-CG 4.37Å; L323-R424 WeakPolarHBondContact O-CD 3.27Å; L323-R424 PolarHBondContact O-NE 3.19Å
324	L	97.2	Very high	95.3	Very high	23 Å²	23	48 Å²	48	12%	0.12	25%	0.249	C	C	.	.	H	α-helix	trans	-93	-5.6	-180	-60.6	-179.7	0	0	0	113.6	I320 I326 L417 A427 L430	I320-L324 HydrophobicContact CG2-CD1 3.66Å; I320-L324 HydrophobicContact CG2-CG 4.31Å; I320-L324 WeakPolarHBondContact O-CB 3.49Å; I320-L324 WeakPolarHBondContact O-CG 3.42Å; I320-L324 PolarHBondContact O-N 3.21Å; L324-I326 HydrophobicContact CB-CG1 4.4Å; L324-I326 HydrophobicContact CB-CG2 4.11Å; L324-L417 HydrophobicContact CD2-CD1 4.42Å; L324-L417 HydrophobicContact CD2-CD2 3.72Å; L324-L417 HydrophobicContact CG-CD1 4.44Å; L324-A427 HydrophobicContact CD1-CB 4.19Å; L324-L430 HydrophobicContact CD1-CD1 3.56Å
325	N	96.6	Very high	95.2	Very high	153 Å²	153	45 Å²	45	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	53.1	-176.4	-170.2	45.3	0	0	0	112.8	G321 D322	G321-N325 WeakPolarHBondContact O-CA 3.24Å; G321-N325 PolarHBondContact O-N 2.79Å; D322-N325 PolarHBondContact O-N 3Å
326	I	95.9	Very high	94.9	Very high	41 Å²	41	41.8 Å²	41.8	21%	0.21	22%	0.219	C	C	.	.			trans	-117.5	147.3	179.9	62.8	174.2	0	0	0	111.6	G321 L324 L328 Y353 F357 A427	G321-I326 PolarHBondContact O-N 2.75Å; G321-I326 VanDerWaalsContact O-N 3.12Å; L324-I326 HydrophobicContact CB-CG1 4.4Å; L324-I326 HydrophobicContact CB-CG2 4.11Å; I326-L328 HydrophobicContact CD1-CD2 4Å; I326-L328 HydrophobicContact CG1-CD2 4.28Å; I326-L328 PolarHBondContact O-N 2.84Å; I326-Y353 HydrophobicContact CD1-CD1 4.3Å; I326-Y353 HydrophobicContact CD1-CG 4.2Å; I326-F357 HydrophobicContact CD1-CE2 3.99Å; I326-A427 HydrophobicContact CD1-CB 3.59Å; I326-A427 HydrophobicContact CG2-CB 4.12Å
327	D	95.5	Very high	94.5	Very high	95 Å²	95	43.8 Å²	43.8	51%	0.508	23%	0.233	S	C	.	.			trans	-77.4	106	166.9	179.7	8.7	0	0	0	109.7	N329 E330	D327-N329 PolarHBondContact O-N 3.03Å; D327-N329 VanDerWaalsContact O-N 3.12Å; D327-N329 WeakPolarHBondContact OD1-CB 3.38Å; D327-N329 PolarHBondContact OD1-N 2.97Å; D327-E330 HydrophobicContact CB-CB 4.27Å; D327-E330 VanDerWaalsContact O-CB 3.27Å; D327-E330 WeakPolarHBondContact O-CB 3.35Å; D327-E330 PolarHBondContact O-N 2.85Å
328	L	94.8	Very high	93.7	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.3	178.9	-73.1	173.2	0	0	0	113.4	V317 E318 I326 T352 R354 F357	V317-L328 HydrophobicContact CG1-CD1 4.25Å; V317-L328 HydrophobicContact CG1-CD2 4.32Å; V317-L328 WeakPolarHBondContact O-CD1 3.44Å; E318-L328 VanDerWaalsContact OE2-CD1 3.23Å; E318-L328 WeakPolarHBondContact OE2-CD1 3.33Å; I326-L328 HydrophobicContact CD1-CD2 4Å; I326-L328 HydrophobicContact CG1-CD2 4.28Å; I326-L328 PolarHBondContact O-N 2.84Å; L328-T352 WeakPolarHBondContact O-CB 3.26Å; L328-T352 PolarHBondContact O-OG1 3.14Å; L328-R354 HydrophobicContact CB-CB 4.07Å; L328-R354 WeakPolarHBondContact O-CB 3.42Å; L328-R354 PolarHBondContact O-N 3.15Å; L328-F357 HydrophobicContact CD2-CD2 4.18Å
329	N	92	Very high	92.7	Very high	88 Å²	88	47.1 Å²	47.1	47%	0.471	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3	176.9	-56.8	-44.9	0	0	0	113.2	D327 M331 T352 R354	D327-N329 PolarHBondContact O-N 3.03Å; D327-N329 VanDerWaalsContact O-N 3.12Å; D327-N329 WeakPolarHBondContact OD1-CB 3.38Å; D327-N329 PolarHBondContact OD1-N 2.97Å; N329-M331 PolarHBondContact O-N 3.3Å; N329-T352 WeakPolarHBondContact O-CG2 3.43Å; N329-R354 PolarHBondContact OD1-NE 3.39Å; N329-R354 VanDerWaalsContact OD1-NE 3.14Å
330	E	91.5	Very high	91.6	Very high	54 Å²	54	47 Å²	47	25%	0.252	26%	0.261	S	S	.	.			trans	-62.4	129	174.8	-175.3	178.6	-159.5	0	0	110.2	R235 D327 I332 T352 Y353	R235-E330 WeakPolarHBondContact CD-OE1 3.3Å; R235-E330 VanDerWaalsContact CG-OE1 3.28Å; R235-E330 WeakPolarHBondContact CG-OE1 3.47Å; R235-E330 IonicContact NE-OE1 3.9Å; R235-E330 PolarHBondContact NE-OE1 3.19Å; R235-E330 IonicContact NE-OE2 3.44Å; D327-E330 HydrophobicContact CB-CB 4.27Å; D327-E330 VanDerWaalsContact O-CB 3.27Å; D327-E330 WeakPolarHBondContact O-CB 3.35Å; D327-E330 PolarHBondContact O-N 2.85Å; E330-I332 HydrophobicContact CG-CG2 4.31Å; E330-T352 WeakPolarHBondContact O-CA 3.44Å; E330-T352 WeakPolarHBondContact O-CB 3.23Å; E330-Y353 HydrophobicContact CB-CD2 4.06Å; E330-Y353 HydrophobicContact CB-CE2 4.2Å; E330-Y353 HydrophobicContact CG-CE2 4.43Å; E330-Y353 PolarHBondContact O-N 3.17Å; E330-Y353 WeakPolarHBondContact OE2-CE2 3.39Å
331	M	90.3	Very high	90.5	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.069	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.4	177.8	-74.6	-73.3	-62.4	0	0	110.7	F236 W238 L242 N329 P350 T352	F236-M331 HydrophobicContact CB-CB 4.15Å; F236-M331 PolarHBondContact N-O 2.81Å; W238-M331 HydrophobicContact CD2-CE 4.36Å; W238-M331 HydrophobicContact CE3-CE 3.5Å; W238-M331 VanDerWaalsContact CE3-CE 3.5Å; W238-M331 HydrophobicContact CZ3-CE 3.83Å; L242-M331 HydrophobicContact CD1-SD 4.25Å; L242-M331 HydrophobicContact CD2-SD 3.77Å; L242-M331 HydrophobicContact CG-SD 4.07Å; N329-M331 PolarHBondContact O-N 3.3Å; M331-P350 HydrophobicContact CE-CB 4.16Å; M331-P350 HydrophobicContact CE-CG 4.44Å; M331-T352 HydrophobicContact CG-CG2 4.01Å; M331-T352 HydrophobicContact SD-CG2 3.45Å; M331-T352 WeakPolarHBondContact SD-CG2 3.38Å
332	I	93.1	Very high	89.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.5	-175.8	61.6	156.9	0	0	0	112.4	L233 K234 E330 P350 C351 Y353 L431	L233-I332 HydrophobicContact CD1-CB 3.77Å; L233-I332 HydrophobicContact CD1-CD1 4.39Å; L233-I332 HydrophobicContact CD1-CG2 3.77Å; K234-I332 CarbonylContact O-C 3.48Å; K234-I332 VanDerWaalsContact O-CA 3.27Å; K234-I332 WeakPolarHBondContact O-CA 3.23Å; E330-I332 HydrophobicContact CG-CG2 4.31Å; I332-P350 CarbonylContact O-C 3.55Å; I332-P350 VanDerWaalsContact O-CA 3.25Å; I332-P350 WeakPolarHBondContact O-CA 3.42Å; I332-P350 WeakPolarHBondContact O-CB 3.09Å; I332-C351 WeakPolarHBondContact CG1-O 3.32Å; I332-C351 PolarHBondContact N-O 3.07Å; I332-C351 PolarHBondContact O-N 2.95Å; I332-C351 VanDerWaalsContact O-O 3.06Å; I332-Y353 HydrophobicContact CD1-CD1 3.73Å; I332-Y353 HydrophobicContact CD1-CE1 3.57Å; I332-Y353 HydrophobicContact CD1-CG 4.26Å; I332-Y353 HydrophobicContact CG2-CD2 4.1Å; I332-Y353 HydrophobicContact CG2-CE1 4.4Å; I332-Y353 HydrophobicContact CG2-CE2 3.53Å; I332-L431 HydrophobicContact CD1-CD1 3.72Å
333	S	92.3	Very high	88.3	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.7	162.6	-168.7	0	0	0	0	109	K234 F236 D335 C349	K234-S333 PolarHBondContact N-O 3.13Å; K234-S333 PolarHBondContact O-N 2.88Å; F236-S333 VanDerWaalsContact CE2-CB 3.41Å; S333-D335 WeakPolarHBondContact CB-OD1 3.39Å; S333-D335 PolarHBondContact OG-OD1 2.89Å; S333-C349 VanDerWaalsContact OG-CB 3.26Å; S333-C349 WeakPolarHBondContact OG-CB 3.19Å
334	L	92.9	Very high	87.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	101.8	172.1	-64	-170.4	0	0	0	108.1	Y231 S232 L233 H345 P346 F347 D428 L431	Y231-L334 HydrophobicContact CG-CB 4.22Å; S232-L334 WeakPolarHBondContact O-CA 3.36Å; L233-L334 HydrophobicContact CB-CD2 4.22Å; L233-L334 HydrophobicContact CD1-CD2 3.8Å; L334-H345 PolarHBondContact O-ND1 3.37Å; L334-P346 HydrophobicContact CB-CG 3.81Å; L334-P346 HydrophobicContact CD1-CG 3.8Å; L334-P346 HydrophobicContact CG-CG 4.41Å; L334-P346 WeakPolarHBondContact O-CD 3.44Å; L334-F347 HydrophobicContact CD1-CE1 3.89Å; L334-F347 HydrophobicContact CD1-CZ 3.64Å; L334-F347 HydrophobicContact CG-CZ 4.11Å; L334-D428 HydrophobicContact CD2-CB 3.88Å; L334-L431 HydrophobicContact CD1-CB 4Å
335	D	91.6	Very high	87	Confident	28 Å²	28	52.6 Å²	52.6	15%	0.15	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.3	-173	-66.8	4.7	0	0	0	110.3	Y231 S232 K234 S333 V337 H345	Y231-D335 CarbonylContact C-O 3.53Å; Y231-D335 VanDerWaalsContact CA-O 3.29Å; Y231-D335 WeakPolarHBondContact CA-O 2.94Å; S232-D335 PolarHBondContact N-O 2.89Å; S232-D335 PolarHBondContact O-N 3.34Å; S232-D335 PolarHBondContact OG-O 3.07Å; K234-D335 VanDerWaalsContact CD-OD2 3.22Å; K234-D335 WeakPolarHBondContact CD-OD2 3.14Å; K234-D335 WeakPolarHBondContact CE-OD2 3.42Å; K234-D335 IonicContact NZ-OD2 3.01Å; K234-D335 PolarHBondContact NZ-OD2 3.16Å; S333-D335 WeakPolarHBondContact CB-OD1 3.39Å; S333-D335 PolarHBondContact OG-OD1 2.89Å; D335-V337 PolarHBondContact O-N 2.91Å; D335-H345 IonicContact OD1-CE1 3.36Å; D335-H345 PolarHBondContact OD1-CE1 2.77Å; D335-H345 IonicContact OD1-ND1 2.82Å; D335-H345 PolarHBondContact OD1-ND1 3.02Å
336	A	87.7	Confident	86.4	Confident	22 Å²	22	47.1 Å²	47.1	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	129.4	-179.3	0	0	0	0	0	110.9	Y231 D338 K344	Y231-A336 HydrophobicContact CD1-CB 4.23Å; Y231-A336 HydrophobicContact CE1-CB 4.12Å; A336-D338 VanDerWaalsContact C-N 3.32Å; A336-K344 WeakPolarHBondContact CB-O 3.47Å; A336-K344 PolarHBondContact N-O 2.77Å
337	V	88.9	Confident	85.9	Confident	80 Å²	80	45.7 Å²	45.7	49%	0.485	25%	0.252	S	S	.	.	S	Bend	trans	-68.9	-36.1	176.7	176.6	0	0	0	0	110.6	M230 D335 P339	M230-V337 PolarHBondContact O-N 2.61Å; D335-V337 PolarHBondContact O-N 2.91Å; V337-P339 WeakPolarHBondContact O-CD 3.47Å
338	D	79.7	Confident	85.2	Confident	36 Å²	36	42.3 Å²	42.3	19%	0.193	24%	0.235	C	C	.	.	S	Bend	trans	-80.8	112.4	174.4	-172.8	-0.1	0	0	0	110.4	H85 R90 A336 D340 S341	H85-D338 IonicContact CE1-OD1 3.92Å; H85-D338 IonicContact CE1-OD2 3.75Å; H85-D338 PolarHBondContact CE1-OD2 3.33Å; H85-D338 IonicContact ND1-OD2 3.3Å; H85-D338 PolarHBondContact ND1-OD2 2.88Å; R90-D338 IonicContact NH1-OD1 3.22Å; R90-D338 PolarHBondContact NH1-OD1 3.26Å; R90-D338 IonicContact NH1-OD2 2.81Å; R90-D338 PolarHBondContact NH1-OD2 2.89Å; A336-D338 VanDerWaalsContact C-N 3.32Å; D338-D340 PolarHBondContact O-N 3.39Å; D338-D340 PolarHBondContact OD1-N 2.9Å; D338-D340 VanDerWaalsContact OD1-N 3.11Å; D338-S341 VanDerWaalsContact O-CB 3.32Å; D338-S341 WeakPolarHBondContact O-CB 3.46Å; D338-S341 PolarHBondContact O-N 3.02Å; D338-S341 VanDerWaalsContact O-N 3.09Å
339	P	78.6	Confident	84.6	Confident	98 Å²	98	43.1 Å²	43.1	64%	0.636	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	179.8	27	-35.4	0	0	0	112.8	V337 K344	V337-P339 WeakPolarHBondContact O-CD 3.47Å; P339-K344 PolarHBondContact O-NZ 2.91Å
340	D	73.9	Confident	84.4	Confident	73 Å²	73	40.6 Å²	40.6	39%	0.39	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.4	179.5	-60.8	-45.5	0	0	0	113.2	R90 D338 L342	R90-D340 IonicContact CZ-OD2 3.14Å; R90-D340 IonicContact NH2-OD2 3.75Å; R90-D340 PolarHBondContact NH2-OD2 3.23Å; D338-D340 PolarHBondContact O-N 3.39Å; D338-D340 PolarHBondContact OD1-N 2.9Å; D338-D340 VanDerWaalsContact OD1-N 3.11Å; D340-L342 PolarHBondContact O-N 2.85Å
341	S	75	Confident	84.1	Confident	32 Å²	32	38 Å²	38	22%	0.224	22%	0.217	C	C	.	.			trans	-59.1	127.5	176	176.4	0	0	0	0	110.6	D338 T343 K344	D338-S341 VanDerWaalsContact O-CB 3.32Å; D338-S341 WeakPolarHBondContact O-CB 3.46Å; D338-S341 PolarHBondContact O-N 3.02Å; D338-S341 VanDerWaalsContact O-N 3.09Å; S341-T343 PolarHBondContact O-N 2.79Å; S341-T343 PolarHBondContact OG-N 3.4Å; S341-T343 VanDerWaalsContact OG-N 3.14Å; S341-T343 PolarHBondContact OG-O 2.89Å; S341-T343 VanDerWaalsContact OG-O 3.05Å; S341-K344 WeakPolarHBondContact O-CD 3.42Å; S341-K344 VanDerWaalsContact O-CE 3.23Å; S341-K344 WeakPolarHBondContact O-CE 3.28Å; S341-K344 PolarHBondContact O-NZ 3.43Å
342	L	72	Confident	84.2	Confident	80 Å²	80	37.4 Å²	37.4	42%	0.419	21%	0.214	S	C	.	.	S	Bend	trans	-69.1	-23.3	171.5	-66.1	-178.4	0	0	0	112	L92 M94 D340 K344	L92-L342 HydrophobicContact CD1-CD1 3.56Å; L92-L342 HydrophobicContact CD1-CD2 4.38Å; L92-L342 HydrophobicContact CD1-CG 3.68Å; L92-L342 HydrophobicContact CD2-CD1 4.39Å; L92-L342 HydrophobicContact CG-CD1 4.01Å; M94-L342 HydrophobicContact CG-CD1 4.15Å; D340-L342 PolarHBondContact O-N 2.85Å; L342-K344 PolarHBondContact O-N 3.41Å
343	T	76.4	Confident	84.3	Confident	32 Å²	32	37.7 Å²	37.7	20%	0.196	22%	0.215	C	C	.	.			trans	-98.2	89	176.9	-54.7	0	0	0	0	109.6	I78 S341 H345	I78-T343 HydrophobicContact CD1-CG2 4.4Å; S341-T343 PolarHBondContact O-N 2.79Å; S341-T343 PolarHBondContact OG-N 3.4Å; S341-T343 VanDerWaalsContact OG-N 3.14Å; S341-T343 PolarHBondContact OG-O 2.89Å; S341-T343 VanDerWaalsContact OG-O 3.05Å; T343-H345 VanDerWaalsContact C-N 3.31Å; T343-H345 VanDerWaalsContact CG2-O 3.29Å; T343-H345 WeakPolarHBondContact CG2-O 3.44Å; T343-H345 PolarHBondContact O-N 3.35Å
344	K	83.4	Confident	84.4	Confident	101 Å²	101	39.4 Å²	39.4	44%	0.439	22%	0.221	S	C	.	.			trans	-66.5	-29.4	-175.5	-60.9	-56	-176.4	-160.9	0	114.2	A336 P339 S341 L342	A336-K344 WeakPolarHBondContact CB-O 3.47Å; A336-K344 PolarHBondContact N-O 2.77Å; P339-K344 PolarHBondContact O-NZ 2.91Å; S341-K344 WeakPolarHBondContact O-CD 3.42Å; S341-K344 VanDerWaalsContact O-CE 3.23Å; S341-K344 WeakPolarHBondContact O-CE 3.28Å; S341-K344 PolarHBondContact O-NZ 3.43Å; L342-K344 PolarHBondContact O-N 3.41Å
345	H	85.7	Confident	84.3	Confident	66 Å²	66	41 Å²	41	31%	0.306	23%	0.228	S	C	.	.			trans	-139.9	150.4	179.6	-52.5	-71.4	0	0	0	110.2	L334 D335 T343 F347 C349	L334-H345 PolarHBondContact O-ND1 3.37Å; D335-H345 IonicContact OD1-CE1 3.36Å; D335-H345 PolarHBondContact OD1-CE1 2.77Å; D335-H345 IonicContact OD1-ND1 2.82Å; D335-H345 PolarHBondContact OD1-ND1 3.02Å; T343-H345 VanDerWaalsContact C-N 3.31Å; T343-H345 VanDerWaalsContact CG2-O 3.29Å; T343-H345 WeakPolarHBondContact CG2-O 3.44Å; T343-H345 PolarHBondContact O-N 3.35Å; H345-F347 VanDerWaalsContact C-N 3.3Å; H345-F347 WeakPolarHBondContact CB-O 3.44Å; H345-C349 HydrophobicContact CB-CB 4.33Å
346	P	83.9	Confident	84.3	Confident	37 Å²	37	39.6 Å²	39.6	24%	0.24	22%	0.221	C	C	.	.	S	Bend	trans	-72.7	-27	177.7	27.1	-29.2	0	0	0	112.4	Y231 L334	Y231-P346 HydrophobicContact CD1-CG 4.42Å; Y231-P346 HydrophobicContact CD2-CB 4.28Å; Y231-P346 HydrophobicContact CD2-CG 4.08Å; Y231-P346 HydrophobicContact CE1-CG 4.4Å; Y231-P346 HydrophobicContact CE2-CB 3.76Å; Y231-P346 HydrophobicContact CE2-CG 4.03Å; Y231-P346 HydrophobicContact CG-CG 4.29Å; L334-P346 HydrophobicContact CB-CG 3.81Å; L334-P346 HydrophobicContact CD1-CG 3.8Å; L334-P346 HydrophobicContact CG-CG 4.41Å; L334-P346 WeakPolarHBondContact O-CD 3.44Å
347	F	84.4	Confident	84.7	Confident	12 Å²	12	38.6 Å²	38.6	5%	0.053	21%	0.212	C	C	.	.	S	Bend	trans	-149.4	170.6	176.5	46.3	-101.3	0	0	0	108.7	L334 H345 C349 A356 F360 V361 L431	L334-F347 HydrophobicContact CD1-CE1 3.89Å; L334-F347 HydrophobicContact CD1-CZ 3.64Å; L334-F347 HydrophobicContact CG-CZ 4.11Å; H345-F347 VanDerWaalsContact C-N 3.3Å; H345-F347 WeakPolarHBondContact CB-O 3.44Å; F347-C349 VanDerWaalsContact CE2-SG 3.51Å; F347-C349 PolarHBondContact O-N 3.07Å; F347-C349 VanDerWaalsContact O-N 3.15Å; F347-C349 PolarHBondContact O-SG 2.99Å; F347-A356 HydrophobicContact CE2-CB 3.99Å; F347-A356 HydrophobicContact CZ-CB 4.03Å; F347-F360 HydrophobicContact CB-CB 3.67Å; F347-F360 HydrophobicContact CB-CD2 3.79Å; F347-F360 HydrophobicContact CB-CG 3.8Å; F347-F360 HydrophobicContact CD1-CB 4.36Å; F347-F360 AromaticContact CD2-CD2 3.56Å; F347-F360 HydrophobicContact CD2-CD2 3.56Å; F347-F360 HydrophobicContact CD2-CE2 4.18Å; F347-F360 HydrophobicContact CD2-CG 4.4Å; F347-F360 HydrophobicContact CE2-CD2 4.39Å; F347-F360 HydrophobicContact CG-CB 3.97Å; F347-F360 AromaticContact CG-CD2 3.78Å; F347-F360 HydrophobicContact CG-CD2 3.78Å; F347-F360 HydrophobicContact CG-CG 4.18Å; F347-V361 HydrophobicContact CD1-CG1 4.46Å; F347-L431 HydrophobicContact CE1-CB 3.85Å; F347-L431 HydrophobicContact CE1-CD2 4.46Å; F347-L431 HydrophobicContact CZ-CB 4.06Å; F347-L431 HydrophobicContact CZ-CD1 4Å; F347-L431 HydrophobicContact CZ-CG 4.47Å
348	P	81.5	Confident	84.9	Confident	23 Å²	23	36.6 Å²	36.6	15%	0.149	20%	0.198	C	C	.	.	S	Bend	trans	-55.9	121.4	178	-28.7	38.5	0	0	0	112.5	M249 F360	M249-P348 HydrophobicContact CE-CB 3.35Å; M249-P348 HydrophobicContact CE-CG 3.71Å; M249-P348 HydrophobicContact CG-CB 4.19Å; M249-P348 HydrophobicContact SD-CB 3.28Å; M249-P348 WeakPolarHBondContact SD-CB 3.44Å; M249-P348 HydrophobicContact SD-CG 4.29Å; P348-F360 HydrophobicContact CB-CZ 4.29Å; P348-F360 HydrophobicContact CG-CE1 4.35Å; P348-F360 HydrophobicContact CG-CZ 4.41Å
349	C	82.1	Confident	85.4	Confident	25 Å²	25	37.4 Å²	37.4	17%	0.169	20%	0.201	C	C	.	.	S	Bend	trans	-125.2	156.7	178.5	-70.1	0	0	0	0	110.4	S333 H345 F347	S333-C349 VanDerWaalsContact OG-CB 3.26Å; S333-C349 WeakPolarHBondContact OG-CB 3.19Å; H345-C349 HydrophobicContact CB-CB 4.33Å; F347-C349 VanDerWaalsContact CE2-SG 3.51Å; F347-C349 PolarHBondContact O-N 3.07Å; F347-C349 VanDerWaalsContact O-N 3.15Å; F347-C349 PolarHBondContact O-SG 2.99Å
350	P	87.5	Confident	85.9	Confident	35 Å²	35	33.8 Å²	33.8	23%	0.227	18%	0.175	C	C	.	.	S	Bend	cis	-74.3	152.5	-4.3	32.7	-36	0	0	0	112.8	F236 W238 H245 M331 I332	F236-P350 HydrophobicContact CD2-CB 4.42Å; F236-P350 HydrophobicContact CE2-CB 4.39Å; W238-P350 HydrophobicContact CH2-CG 4.49Å; H245-P350 PolarHBondContact NE2-O 3.3Å; M331-P350 HydrophobicContact CE-CB 4.16Å; M331-P350 HydrophobicContact CE-CG 4.44Å; I332-P350 CarbonylContact O-C 3.55Å; I332-P350 VanDerWaalsContact O-CA 3.25Å; I332-P350 WeakPolarHBondContact O-CA 3.42Å; I332-P350 WeakPolarHBondContact O-CB 3.09Å
351	C	86	Confident	86.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	170	174.7	70.6	0	0	0	0	110.9	F246 I332 H355 F360	F246-C351 HydrophobicContact CE2-CB 4.31Å; F246-C351 HydrophobicContact CZ-CB 4.13Å; I332-C351 WeakPolarHBondContact CG1-O 3.32Å; I332-C351 PolarHBondContact N-O 3.07Å; I332-C351 PolarHBondContact O-N 2.95Å; I332-C351 VanDerWaalsContact O-O 3.06Å; C351-H355 HydrophobicContact CB-CB 4.49Å; C351-F360 HydrophobicContact CB-CE2 4.19Å
352	T	91.5	Very high	87.7	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	160.4	170.7	71.3	0	0	0	0	112.4	L242 L328 N329 E330 M331 R354 H355 A356	L242-T352 HydrophobicContact CD1-CG2 3.61Å; L242-T352 HydrophobicContact CD2-CG2 3.57Å; L242-T352 HydrophobicContact CG-CG2 4.17Å; L328-T352 WeakPolarHBondContact O-CB 3.26Å; L328-T352 PolarHBondContact O-OG1 3.14Å; N329-T352 WeakPolarHBondContact O-CG2 3.43Å; E330-T352 WeakPolarHBondContact O-CA 3.44Å; E330-T352 WeakPolarHBondContact O-CB 3.23Å; M331-T352 HydrophobicContact CG-CG2 4.01Å; M331-T352 HydrophobicContact SD-CG2 3.45Å; M331-T352 WeakPolarHBondContact SD-CG2 3.38Å; T352-R354 VanDerWaalsContact C-N 3.25Å; T352-R354 PolarHBondContact O-N 3.11Å; T352-R354 PolarHBondContact OG1-N 2.96Å; T352-H355 PolarHBondContact O-N 3.19Å; T352-H355 PolarHBondContact OG1-N 3.42Å; T352-H355 PolarHBondContact OG1-ND1 3.11Å; T352-A356 PolarHBondContact O-N 3.48Å
353	Y	95	Very high	88.8	Confident	5 Å²	5	26.1 Å²	26.1	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-52.5	-44.2	168.9	-76.3	-69.9	0	0	0	112.2	I326 E330 I332 H355 A356 F357 A427 L431	I326-Y353 HydrophobicContact CD1-CD1 4.3Å; I326-Y353 HydrophobicContact CD1-CG 4.2Å; E330-Y353 HydrophobicContact CB-CD2 4.06Å; E330-Y353 HydrophobicContact CB-CE2 4.2Å; E330-Y353 HydrophobicContact CG-CE2 4.43Å; E330-Y353 PolarHBondContact O-N 3.17Å; E330-Y353 WeakPolarHBondContact OE2-CE2 3.39Å; I332-Y353 HydrophobicContact CD1-CD1 3.73Å; I332-Y353 HydrophobicContact CD1-CE1 3.57Å; I332-Y353 HydrophobicContact CD1-CG 4.26Å; I332-Y353 HydrophobicContact CG2-CD2 4.1Å; I332-Y353 HydrophobicContact CG2-CE1 4.4Å; I332-Y353 HydrophobicContact CG2-CE2 3.53Å; Y353-H355 VanDerWaalsContact C-N 3.32Å; Y353-H355 PolarHBondContact O-N 2.92Å; Y353-A356 PolarHBondContact O-N 3.38Å; Y353-F357 HydrophobicContact CD1-CE2 4.11Å; Y353-F357 VanDerWaalsContact O-CD2 3.24Å; Y353-F357 WeakPolarHBondContact O-CD2 3.18Å; Y353-F357 PolarHBondContact O-N 3.13Å; Y353-A427 HydrophobicContact CD1-CB 4Å; Y353-A427 HydrophobicContact CE1-CB 3.6Å; Y353-L431 HydrophobicContact CD1-CD1 3.62Å; Y353-L431 HydrophobicContact CE1-CD1 3.96Å
354	R	94.4	Very high	89.6	Confident	41 Å²	41	25.9 Å²	25.9	16%	0.155	13%	0.131	C	C	.	.	H	α-helix	trans	-51.9	-50.8	177.1	-173.1	173.8	-59.6	-67.1	2.6	111.4	V317 E318 L328 N329 T352 M358	V317-R354 HydrophobicContact CG1-CG 4.28Å; E318-R354 IonicContact OE1-CZ 3.69Å; E318-R354 VanDerWaalsContact OE1-CZ 3.29Å; E318-R354 IonicContact OE1-NH1 2.76Å; E318-R354 PolarHBondContact OE1-NH1 2.92Å; E318-R354 IonicContact OE1-NH2 3.34Å; E318-R354 PolarHBondContact OE1-NH2 3.13Å; E318-R354 IonicContact OE2-CZ 3.86Å; E318-R354 IonicContact OE2-NH1 2.67Å; E318-R354 PolarHBondContact OE2-NH1 3.43Å; E318-R354 IonicContact OE2-NH2 2.74Å; E318-R354 PolarHBondContact OE2-NH2 2.83Å; L328-R354 HydrophobicContact CB-CB 4.07Å; L328-R354 WeakPolarHBondContact O-CB 3.42Å; L328-R354 PolarHBondContact O-N 3.15Å; N329-R354 PolarHBondContact OD1-NE 3.39Å; N329-R354 VanDerWaalsContact OD1-NE 3.14Å; T352-R354 VanDerWaalsContact C-N 3.25Å; T352-R354 PolarHBondContact O-N 3.11Å; T352-R354 PolarHBondContact OG1-N 2.96Å; R354-M358 WeakPolarHBondContact O-CB 3.29Å; R354-M358 PolarHBondContact O-N 3.31Å
355	H	90.4	Very high	89.9	Confident	33 Å²	33	22 Å²	22	15%	0.153	12%	0.119	C	C	.	.	H	α-helix	trans	-69.3	-38.7	-177.8	-70.3	90.3	0	0	0	112.3	F246 C351 T352 Y353 M358 H359	F246-H355 AromaticContact CD1-CD2 3.78Å; F246-H355 AromaticContact CD2-CD2 3.45Å; F246-H355 VanDerWaalsContact CD2-CD2 3.45Å; F246-H355 WeakPolarHBondContact CD2-CD2 3.38Å; F246-H355 AromaticContact CD2-CE1 4Å; F246-H355 AromaticContact CD2-CG 3.94Å; F246-H355 AromaticContact CD2-NE2 3.5Å; F246-H355 WeakPolarHBondContact CD2-NE2 3.46Å; F246-H355 HydrophobicContact CE1-CB 3.97Å; F246-H355 AromaticContact CE1-CD2 3.5Å; F246-H355 VanDerWaalsContact CE1-CD2 3.5Å; F246-H355 WeakPolarHBondContact CE1-CD2 3.38Å; F246-H355 AromaticContact CE1-CG 3.96Å; F246-H355 HydrophobicContact CE2-CB 3.63Å; F246-H355 AromaticContact CE2-CD2 3.15Å; F246-H355 WeakPolarHBondContact CE2-CD2 3.17Å; F246-H355 AromaticContact CE2-CE1 3.87Å; F246-H355 AromaticContact CE2-CG 3.2Å; F246-H355 AromaticContact CE2-ND1 3.65Å; F246-H355 AromaticContact CE2-NE2 3.6Å; F246-H355 AromaticContact CG-CD2 3.78Å; F246-H355 AromaticContact CG-NE2 3.95Å; F246-H355 HydrophobicContact CZ-CB 3.2Å; F246-H355 AromaticContact CZ-CD2 3.22Å; F246-H355 WeakPolarHBondContact CZ-CD2 3.35Å; F246-H355 AromaticContact CZ-CG 3.25Å; C351-H355 HydrophobicContact CB-CB 4.49Å; T352-H355 PolarHBondContact O-N 3.19Å; T352-H355 PolarHBondContact OG1-N 3.42Å; T352-H355 PolarHBondContact OG1-ND1 3.11Å; Y353-H355 VanDerWaalsContact C-N 3.32Å; Y353-H355 PolarHBondContact O-N 2.92Å; H355-M358 PolarHBondContact O-N 3.4Å; H355-H359 PolarHBondContact O-N 2.93Å
356	A	92.9	Very high	90.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-59.6	-51.6	176.4	0	0	0	0	0	111.3	F347 T352 Y353 M358 F360 V361 L431	F347-A356 HydrophobicContact CE2-CB 3.99Å; F347-A356 HydrophobicContact CZ-CB 4.03Å; T352-A356 PolarHBondContact O-N 3.48Å; Y353-A356 PolarHBondContact O-N 3.38Å; A356-M358 VanDerWaalsContact C-N 3.32Å; A356-M358 PolarHBondContact O-N 3.08Å; A356-F360 HydrophobicContact CB-CD2 4.26Å; A356-F360 PolarHBondContact O-N 2.83Å; A356-V361 PolarHBondContact O-N 3.21Å; A356-L431 HydrophobicContact CB-CD1 3.68Å; A356-L431 HydrophobicContact CB-CD2 3.64Å; A356-L431 HydrophobicContact CB-CG 4.33Å
357	F	96.1	Very high	90.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-67.4	-28.4	176.5	-72	-58.6	0	0	0	113.5	N312 V317 I320 I326 L328 Y353 V361 I363 A427 L431 L434	N312-F357 PolarHBondContact ND2-O 2.98Å; V317-F357 HydrophobicContact CG1-CB 3.98Å; V317-F357 HydrophobicContact CG2-CB 4.19Å; I320-F357 HydrophobicContact CD1-CD1 4.09Å; I320-F357 HydrophobicContact CD1-CE1 4.47Å; I320-F357 HydrophobicContact CD1-CG 4.37Å; I320-F357 HydrophobicContact CG2-CD2 4.26Å; I320-F357 HydrophobicContact CG2-CE1 4.27Å; I320-F357 HydrophobicContact CG2-CE2 3.91Å; I320-F357 HydrophobicContact CG2-CZ 3.92Å; I326-F357 HydrophobicContact CD1-CE2 3.99Å; L328-F357 HydrophobicContact CD2-CD2 4.18Å; Y353-F357 HydrophobicContact CD1-CE2 4.11Å; Y353-F357 VanDerWaalsContact O-CD2 3.24Å; Y353-F357 WeakPolarHBondContact O-CD2 3.18Å; Y353-F357 PolarHBondContact O-N 3.13Å; F357-V361 HydrophobicContact CD1-CG2 3.84Å; F357-V361 HydrophobicContact CE1-CG2 4.48Å; F357-I363 HydrophobicContact CD1-CG2 3.91Å; F357-A427 HydrophobicContact CE2-CB 4.44Å; F357-A427 HydrophobicContact CZ-CB 4.31Å; F357-L431 HydrophobicContact CD1-CD2 3.6Å; F357-L431 HydrophobicContact CD1-CG 4.5Å; F357-L431 HydrophobicContact CD2-CD2 4.37Å; F357-L431 HydrophobicContact CE1-CD2 3.45Å; F357-L431 VanDerWaalsContact CE1-CD2 3.45Å; F357-L431 HydrophobicContact CE1-CG 3.91Å; F357-L431 HydrophobicContact CE2-CD1 4.49Å; F357-L431 HydrophobicContact CE2-CD2 4.25Å; F357-L431 HydrophobicContact CE2-CG 4.3Å; F357-L431 HydrophobicContact CG-CD2 4.06Å; F357-L431 HydrophobicContact CZ-CD1 4.43Å; F357-L431 HydrophobicContact CZ-CD2 3.8Å; F357-L431 HydrophobicContact CZ-CG 3.8Å; F357-L434 HydrophobicContact CD1-CD1 4.42Å; F357-L434 HydrophobicContact CE1-CD1 4.03Å
358	M	93.4	Very high	90.7	Very high	39 Å²	39	20.2 Å²	20.2	19%	0.192	12%	0.117	C	C	.	.	I	π-helix	trans	-81.3	-35.2	-178.7	-168.9	161.3	74.6	0	0	113.3	S311 N312 L314 V317 R354 H355 A356	S311-M358 WeakPolarHBondContact CA-O 3.39Å; N312-M358 PolarHBondContact N-O 3.43Å; L314-M358 HydrophobicContact CD1-SD 4.47Å; V317-M358 HydrophobicContact CG2-CB 4.27Å; R354-M358 WeakPolarHBondContact O-CB 3.29Å; R354-M358 PolarHBondContact O-N 3.31Å; H355-M358 PolarHBondContact O-N 3.4Å; A356-M358 VanDerWaalsContact C-N 3.32Å; A356-M358 PolarHBondContact O-N 3.08Å
359	H	89.5	Confident	91	Very high	53 Å²	53	19.9 Å²	19.9	25%	0.245	11%	0.113	C	C	.	.	I	π-helix	trans	-126.2	-20.9	-166.8	-60.1	-54.6	0	0	0	116	S311 H355	S311-H359 PolarHBondContact OG-CE1 3.31Å; S311-H359 PolarHBondContact OG-ND1 3.11Å; H355-H359 PolarHBondContact O-N 2.93Å
360	F	89.2	Confident	91.1	Very high	21 Å²	21	20.5 Å²	20.5	9%	0.092	12%	0.118	C	C	.	.	I	π-helix	trans	-110.5	-29.8	-169.2	-56	-33.1	0	0	0	114.3	F246 M249 F250 F347 P348 C351 A356 P436 L437	F246-F360 AromaticContact CE1-CZ 3.8Å; F246-F360 HydrophobicContact CE1-CZ 3.8Å; F246-F360 HydrophobicContact CZ-CE2 4.32Å; F246-F360 AromaticContact CZ-CZ 3.97Å; F246-F360 HydrophobicContact CZ-CZ 3.97Å; M249-F360 HydrophobicContact CE-CE1 3.78Å; M249-F360 HydrophobicContact CE-CE2 4.49Å; M249-F360 HydrophobicContact CE-CZ 3.41Å; M249-F360 VanDerWaalsContact CE-CZ 3.41Å; M249-F360 HydrophobicContact SD-CZ 4.22Å; F250-F360 HydrophobicContact CZ-CE1 4.26Å; F347-F360 HydrophobicContact CB-CB 3.67Å; F347-F360 HydrophobicContact CB-CD2 3.79Å; F347-F360 HydrophobicContact CB-CG 3.8Å; F347-F360 HydrophobicContact CD1-CB 4.36Å; F347-F360 AromaticContact CD2-CD2 3.56Å; F347-F360 HydrophobicContact CD2-CD2 3.56Å; F347-F360 HydrophobicContact CD2-CE2 4.18Å; F347-F360 HydrophobicContact CD2-CG 4.4Å; F347-F360 HydrophobicContact CE2-CD2 4.39Å; F347-F360 HydrophobicContact CG-CB 3.97Å; F347-F360 AromaticContact CG-CD2 3.78Å; F347-F360 HydrophobicContact CG-CD2 3.78Å; F347-F360 HydrophobicContact CG-CG 4.18Å; P348-F360 HydrophobicContact CB-CZ 4.29Å; P348-F360 HydrophobicContact CG-CE1 4.35Å; P348-F360 HydrophobicContact CG-CZ 4.41Å; C351-F360 HydrophobicContact CB-CE2 4.19Å; A356-F360 HydrophobicContact CB-CD2 4.26Å; A356-F360 PolarHBondContact O-N 2.83Å; F360-P436 CarbonylContact O-C 3.54Å; F360-P436 WeakPolarHBondContact O-CA 3.13Å; F360-L437 PolarHBondContact O-N 2.89Å
361	V	92.2	Very high	91.3	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.024	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-118.2	148.4	-179	-62.3	0	0	0	0	112.1	N312 F347 A356 F357 I363 L431 L434 N435	N312-V361 PolarHBondContact ND2-O 3.32Å; F347-V361 HydrophobicContact CD1-CG1 4.46Å; A356-V361 PolarHBondContact O-N 3.21Å; F357-V361 HydrophobicContact CD1-CG2 3.84Å; F357-V361 HydrophobicContact CE1-CG2 4.48Å; V361-I363 HydrophobicContact CG2-CG2 4.12Å; V361-I363 PolarHBondContact O-N 3.33Å; V361-L431 HydrophobicContact CG1-CD2 4.12Å; V361-L431 HydrophobicContact CG2-CD2 3.68Å; V361-L434 HydrophobicContact CB-CB 3.78Å; V361-L434 HydrophobicContact CB-CD1 4.09Å; V361-L434 HydrophobicContact CG1-CB 4.07Å; V361-L434 HydrophobicContact CG2-CB 4.42Å; V361-L434 HydrophobicContact CG2-CD1 3.78Å; V361-N435 CarbonylContact C-O 3.59Å; V361-N435 WeakPolarHBondContact CA-O 3.1Å
362	D	93.5	Very high	91.6	Very high	18 Å²	18	19.2 Å²	19.2	10%	0.096	11%	0.109	C	C	.	.			trans	-86.7	107.8	175.6	-167.4	-14.3	0	0	0	110	T364 G365 N435 L437 R440	D362-T364 WeakPolarHBondContact OD1-CA 3.33Å; D362-T364 PolarHBondContact OD1-N 3.1Å; D362-T364 PolarHBondContact OD1-OG1 3.08Å; D362-G365 PolarHBondContact OD1-N 2.75Å; D362-N435 HydrophobicContact CB-CB 4.49Å; D362-N435 PolarHBondContact N-O 3.47Å; D362-L437 HydrophobicContact CB-CD1 4.23Å; D362-R440 IonicContact OD2-NH2 3.4Å
363	I	95.8	Very high	91.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-94.4	-7.1	176	70.1	178.1	0	0	0	112.6	N312 L316 V317 I320 F357 V361 L413 L434	N312-I363 HydrophobicContact CB-CD1 3.77Å; N312-I363 HydrophobicContact CB-CG1 3.98Å; L316-I363 HydrophobicContact CB-CD1 3.87Å; V317-I363 HydrophobicContact CG2-CD1 4Å; I320-I363 HydrophobicContact CD1-CB 4.08Å; I320-I363 HydrophobicContact CD1-CD1 3.77Å; I320-I363 HydrophobicContact CD1-CG2 3.83Å; F357-I363 HydrophobicContact CD1-CG2 3.91Å; V361-I363 HydrophobicContact CG2-CG2 4.12Å; V361-I363 PolarHBondContact O-N 3.33Å; I363-L413 HydrophobicContact CB-CB 4.4Å; I363-L413 HydrophobicContact CB-CD2 4.46Å; I363-L413 HydrophobicContact CG2-CD2 4.24Å; I363-L413 PolarHBondContact O-N 2.67Å; I363-L434 HydrophobicContact CG2-CD1 4.37Å
364	T	93.6	Very high	91.3	Very high	27 Å²	27	22.9 Å²	22.9	17%	0.166	14%	0.137	C	C	.	.	S	Bend	trans	-101.7	-22.8	-174.7	63.3	0	0	0	0	113.1	L316 D362 L475	L316-T364 HydrophobicContact CD1-CG2 4.07Å; D362-T364 WeakPolarHBondContact OD1-CA 3.33Å; D362-T364 PolarHBondContact OD1-N 3.1Å; D362-T364 PolarHBondContact OD1-OG1 3.08Å; T364-L475 HydrophobicContact CG2-CD1 4.3Å
365	G	90.3	Very high	91.3	Very high	19 Å²	19	21 Å²	21	20%	0.196	13%	0.13	C	C	.	.	S	Bend	trans	-72.7	160	171.7	0	0	0	0	0	112.5	D362	D362-G365 PolarHBondContact OD1-N 2.75Å
366	P	91.3	Very high	91.4	Very high	59 Å²	59	20.9 Å²	20.9	38%	0.383	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-62.8	132	179.4	25.7	-33.4	0	0	0	111.3	G368 I406 L407 R411	P366-G368 PolarHBondContact O-N 2.88Å; P366-I406 HydrophobicContact CB-CG2 3.49Å; P366-I406 VanDerWaalsContact CB-CG2 3.49Å; P366-L407 HydrophobicContact CB-CD2 3.98Å; P366-L407 HydrophobicContact CG-CD2 4.08Å; P366-R411 WeakPolarHBondContact CA-O 3.43Å
367	P	91.8	Very high	91.2	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.039	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-65.9	129.3	173.9	24.2	-29.2	0	0	0	110.3	L371 L372 Y402 I406 R411 V416	P367-L371 HydrophobicContact CB-CD2 4.33Å; P367-L372 HydrophobicContact CB-CD2 4.48Å; P367-Y402 PolarHBondContact O-OH 3.38Å; P367-I406 HydrophobicContact CG-CD1 4.12Å; P367-R411 VanDerWaalsContact CD-O 3.22Å; P367-R411 WeakPolarHBondContact CD-O 3.49Å; P367-V416 HydrophobicContact CG-CG2 3.77Å
368	G	86.2	Confident	91	Very high	14 Å²	14	27.5 Å²	27.5	14%	0.144	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-70.2	155.2	178.9	0	0	0	0	0	112.3	E195 P366 S370 L371 L372	E195-G368 WeakPolarHBondContact OE2-CA 3.5Å; P366-G368 PolarHBondContact O-N 2.88Å; G368-S370 PolarHBondContact O-N 3.27Å; G368-L371 PolarHBondContact O-N 3.42Å; G368-L371 VanDerWaalsContact O-N 3.08Å; G368-L372 PolarHBondContact O-N 3.21Å
369	K	88.3	Confident	91.1	Very high	15 Å²	15	26.2 Å²	26.2	7%	0.065	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-36.2	178	-71.2	-171.2	176.5	-165.4	0	111.8	L371 L372 S373 S393 D394 Y402	K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 3.5Å; K369-L372 PolarHBondContact O-N 2.92Å; K369-S373 WeakPolarHBondContact O-CB 3.34Å; K369-S373 PolarHBondContact O-N 2.81Å; K369-S393 PolarHBondContact NZ-O 3.42Å; K369-D394 IonicContact NZ-OD1 3.2Å; K369-D394 PolarHBondContact NZ-OD1 3.47Å; K369-D394 VanDerWaalsContact NZ-OD1 3.15Å; K369-Y402 HydrophobicContact CG-CD2 3.98Å; K369-Y402 HydrophobicContact CG-CE2 3.85Å; K369-Y402 HydrophobicContact CG-CG 4.48Å
370	S	85.1	Confident	91.4	Very high	39 Å²	39	29.5 Å²	29.5	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-37.1	177.9	-54.4	0	0	0	0	113.1	E195 G368 A374	E195-S370 VanDerWaalsContact OE1-CB 3.28Å; E195-S370 WeakPolarHBondContact OE1-CB 3.28Å; E195-S370 PolarHBondContact OE1-N 3.27Å; E195-S370 VanDerWaalsContact OE1-N 3.16Å; E195-S370 PolarHBondContact OE1-OG 3.26Å; G368-S370 PolarHBondContact O-N 3.27Å; S370-A374 WeakPolarHBondContact O-CB 3.06Å; S370-A374 PolarHBondContact O-N 3.24Å
371	L	91.2	Very high	91.7	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-68	-48.3	177.4	179.3	156.9	0	0	0	110.4	P367 G368 K369 S373 A374 C375 F423 L430 L433 L434	P367-L371 HydrophobicContact CB-CD2 4.33Å; G368-L371 PolarHBondContact O-N 3.42Å; G368-L371 VanDerWaalsContact O-N 3.08Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 3.5Å; L371-S373 VanDerWaalsContact C-N 3.3Å; L371-S373 PolarHBondContact O-N 3.05Å; L371-A374 PolarHBondContact O-N 3.3Å; L371-C375 WeakPolarHBondContact O-CB 3.32Å; L371-C375 PolarHBondContact O-N 3.31Å; L371-C375 VanDerWaalsContact O-N 3.1Å; L371-C375 PolarHBondContact O-SG 2.99Å; L371-C375 VanDerWaalsContact O-SG 3.33Å; L371-F423 HydrophobicContact CD2-CZ 4.41Å; L371-L430 HydrophobicContact CD1-CD2 4.29Å; L371-L430 HydrophobicContact CD2-CD2 4.06Å; L371-L430 HydrophobicContact CG-CD2 4.41Å; L371-L433 HydrophobicContact CB-CB 4.3Å; L371-L433 HydrophobicContact CD1-CB 4.09Å; L371-L433 HydrophobicContact CG-CB 4.11Å; L371-L434 HydrophobicContact CD1-CD2 3.64Å; L371-L434 HydrophobicContact CD1-CG 3.91Å
372	L	93.2	Very high	91.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-41.1	179.4	-64.3	173.6	0	0	0	111.4	P367 G368 K369 C375 L376 V388 L391 I392 Y402 V416 F423	P367-L372 HydrophobicContact CB-CD2 4.48Å; G368-L372 PolarHBondContact O-N 3.21Å; K369-L372 PolarHBondContact O-N 2.92Å; L372-C375 PolarHBondContact O-N 2.68Å; L372-L376 PolarHBondContact O-N 2.96Å; L372-V388 HydrophobicContact CB-CG1 4.36Å; L372-L391 HydrophobicContact CD1-CD2 3.78Å; L372-L391 HydrophobicContact CD1-CG 4.38Å; L372-I392 HydrophobicContact CB-CG2 3.48Å; L372-I392 VanDerWaalsContact CB-CG2 3.48Å; L372-I392 HydrophobicContact CD1-CG2 4.16Å; L372-I392 HydrophobicContact CG-CG2 4.49Å; L372-Y402 HydrophobicContact CD1-CE2 4.34Å; L372-V416 HydrophobicContact CD2-CG1 4.26Å; L372-F423 HydrophobicContact CD2-CE2 4.31Å; L372-F423 HydrophobicContact CD2-CZ 4.08Å
373	S	90.6	Very high	92.1	Very high	67 Å²	67	42 Å²	42	47%	0.469	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-47.3	176	178.9	0	0	0	0	112.4	K369 L371 C375 L376	K369-S373 WeakPolarHBondContact O-CB 3.34Å; K369-S373 PolarHBondContact O-N 2.81Å; L371-S373 VanDerWaalsContact C-N 3.3Å; L371-S373 PolarHBondContact O-N 3.05Å; S373-C375 PolarHBondContact O-N 3.48Å; S373-L376 WeakPolarHBondContact O-CB 3.35Å; S373-L376 PolarHBondContact O-N 3.2Å
374	A	89.6	Confident	92.2	Very high	17 Å²	17	43.4 Å²	43.4	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-24.5	179.3	0	0	0	0	0	113.4	Y227 S370 L371 L433	Y227-A374 HydrophobicContact CD1-CB 3.96Å; Y227-A374 HydrophobicContact CD2-CB 4.15Å; Y227-A374 HydrophobicContact CG-CB 3.64Å; S370-A374 WeakPolarHBondContact O-CB 3.06Å; S370-A374 PolarHBondContact O-N 3.24Å; L371-A374 PolarHBondContact O-N 3.3Å; A374-L433 HydrophobicContact CB-CD1 3.44Å; A374-L433 VanDerWaalsContact CB-CD1 3.44Å
375	C	93.3	Very high	92.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.1	178.8	-66.8	0	0	0	0	113.4	L371 L372 S373 D377 S378 F423 P425	L371-C375 WeakPolarHBondContact O-CB 3.32Å; L371-C375 PolarHBondContact O-N 3.31Å; L371-C375 VanDerWaalsContact O-N 3.1Å; L371-C375 PolarHBondContact O-SG 2.99Å; L371-C375 VanDerWaalsContact O-SG 3.33Å; L372-C375 PolarHBondContact O-N 2.68Å; S373-C375 PolarHBondContact O-N 3.48Å; C375-D377 VanDerWaalsContact C-N 3.28Å; C375-D377 PolarHBondContact O-N 3.48Å; C375-S378 WeakPolarHBondContact O-CB 3.17Å; C375-S378 PolarHBondContact O-N 3.44Å; C375-S378 PolarHBondContact O-OG 3.5Å; C375-F423 HydrophobicContact CB-CE2 3.51Å; C375-F423 HydrophobicContact CB-CZ 3.45Å; C375-F423 VanDerWaalsContact CB-CZ 3.45Å; C375-P425 HydrophobicContact CB-CB 3.86Å; C375-P425 HydrophobicContact CB-CG 4.35Å; C375-P425 WeakPolarHBondContact SG-CB 3.29Å
376	L	92.6	Very high	92.6	Very high	30 Å²	30	48.4 Å²	48.4	16%	0.157	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59.1	-37.7	-172.2	-179.4	63.1	0	0	0	112.9	L372 S373 S378 V379 V388 Q389	L372-L376 PolarHBondContact O-N 2.96Å; S373-L376 WeakPolarHBondContact O-CB 3.35Å; S373-L376 PolarHBondContact O-N 3.2Å; L376-S378 PolarHBondContact O-N 3.25Å; L376-S378 VanDerWaalsContact O-N 3.16Å; L376-V379 WeakPolarHBondContact O-CB 3.31Å; L376-V379 WeakPolarHBondContact O-CG2 3.5Å; L376-V379 PolarHBondContact O-N 3.42Å; L376-V379 VanDerWaalsContact O-N 3.08Å; L376-V388 HydrophobicContact CD1-CB 3.93Å; L376-V388 HydrophobicContact CD1-CG1 3.76Å; L376-Q389 HydrophobicContact CD1-CG 3.94Å; L376-Q389 HydrophobicContact CD2-CG 3.65Å; L376-Q389 HydrophobicContact CG-CG 4.43Å
377	D	89.3	Confident	92.9	Very high	115 Å²	115	48.3 Å²	48.3	62%	0.615	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.7	-15.1	179.2	-63.4	-30.6	0	0	0	113.4	Q226 C375 V379	Q226-D377 VanDerWaalsContact CD-OD2 3.28Å; Q226-D377 WeakPolarHBondContact CG-OD2 3.45Å; Q226-D377 PolarHBondContact NE2-OD2 2.77Å; C375-D377 VanDerWaalsContact C-N 3.28Å; C375-D377 PolarHBondContact O-N 3.48Å; D377-V379 VanDerWaalsContact C-N 3.29Å
378	S	91.1	Very high	93.1	Very high	24 Å²	24	48 Å²	48	17%	0.168	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-83.1	-4.5	175.4	73.5	0	0	0	0	113.8	C375 L376 T380 S422 P425	C375-S378 WeakPolarHBondContact O-CB 3.17Å; C375-S378 PolarHBondContact O-N 3.44Å; C375-S378 PolarHBondContact O-OG 3.5Å; L376-S378 PolarHBondContact O-N 3.25Å; L376-S378 VanDerWaalsContact O-N 3.16Å; S378-T380 PolarHBondContact O-N 2.87Å; S378-S422 VanDerWaalsContact O-O 3.06Å; S378-P425 WeakPolarHBondContact OG-CA 3.48Å
379	V	94.7	Very high	93.5	Very high	13 Å²	13	52 Å²	52	8%	0.079	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-89.5	105.9	-178	-170.7	0	0	0	0	109.6	L376 D377 E384 S422 F423	L376-V379 WeakPolarHBondContact O-CB 3.31Å; L376-V379 WeakPolarHBondContact O-CG2 3.5Å; L376-V379 PolarHBondContact O-N 3.42Å; L376-V379 VanDerWaalsContact O-N 3.08Å; D377-V379 VanDerWaalsContact C-N 3.29Å; V379-E384 HydrophobicContact CG1-CB 3.74Å; V379-S422 VanDerWaalsContact CG1-OG 3.24Å; V379-S422 WeakPolarHBondContact CG1-OG 3.29Å; V379-F423 HydrophobicContact CG2-CB 4.31Å; V379-F423 HydrophobicContact CG2-CD2 3.48Å; V379-F423 VanDerWaalsContact CG2-CD2 3.48Å; V379-F423 HydrophobicContact CG2-CE2 4.27Å; V379-F423 HydrophobicContact CG2-CG 4.34Å
380	T	95.8	Very high	93.9	Very high	121 Å²	121	54.9 Å²	54.9	74%	0.742	30%	0.301	S	S	*	.			trans	-86.2	-21.7	-173.8	60.1	0	0	0	0	113.9	S378 S422	S378-T380 PolarHBondContact O-N 2.87Å; T380-S422 WeakPolarHBondContact OG1-CB 2.99Å
381	N	97.2	Very high	94.3	Very high	60 Å²	60	53 Å²	53	32%	0.321	29%	0.288	S	S	.	.	S	Bend	trans	-83.8	125.2	175.8	180	-71.4	0	0	0	110.4	E383 E384 S385 S422	N381-E383 PolarHBondContact O-N 3.03Å; N381-E383 WeakPolarHBondContact OD1-CA 3.32Å; N381-E383 WeakPolarHBondContact OD1-CB 3.35Å; N381-E383 PolarHBondContact OD1-N 3.32Å; N381-E384 HydrophobicContact CB-CB 4.11Å; N381-E384 HydrophobicContact CB-CG 4.08Å; N381-E384 PolarHBondContact O-N 3.02Å; N381-E384 PolarHBondContact OD1-N 3.17Å; N381-S385 WeakPolarHBondContact O-CB 3.15Å; N381-S385 PolarHBondContact O-N 2.87Å; N381-S422 VanDerWaalsContact CB-OG 3.27Å; N381-S422 WeakPolarHBondContact CB-OG 3.2Å; N381-S422 PolarHBondContact N-OG 3.34Å; N381-S422 VanDerWaalsContact N-OG 3.1Å
382	P	96.6	Very high	94.3	Very high	93 Å²	93	54.1 Å²	54.1	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-61	-37.4	-178.3	-26.5	35.4	0	0	0	115	S385 Q386	P382-S385 PolarHBondContact O-N 3.28Å; P382-Q386 WeakPolarHBondContact O-CG 3.09Å; P382-Q386 PolarHBondContact O-N 3.33Å
383	E	97.2	Very high	94.1	Very high	153 Å²	153	55.7 Å²	55.7	72%	0.715	31%	0.305	S	S	*	.	H	α-helix	trans	-69.3	-43.7	179.2	-59.9	179.2	175.7	0	0	110.9	N381 S385 Q386 F387	N381-E383 PolarHBondContact O-N 3.03Å; N381-E383 WeakPolarHBondContact OD1-CA 3.32Å; N381-E383 WeakPolarHBondContact OD1-CB 3.35Å; N381-E383 PolarHBondContact OD1-N 3.32Å; E383-S385 VanDerWaalsContact C-N 3.31Å; E383-S385 PolarHBondContact O-N 3.49Å; E383-Q386 PolarHBondContact O-N 3.46Å; E383-F387 WeakPolarHBondContact O-CB 3.14Å; E383-F387 PolarHBondContact O-N 3.49Å
384	E	97.3	Very high	93.9	Very high	31 Å²	31	56.5 Å²	56.5	15%	0.145	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-37.7	173.8	-66.5	-173	-179	0	0	111.3	V379 N381 F387 V388 L420 K421 S422	V379-E384 HydrophobicContact CG1-CB 3.74Å; N381-E384 HydrophobicContact CB-CB 4.11Å; N381-E384 HydrophobicContact CB-CG 4.08Å; N381-E384 PolarHBondContact O-N 3.02Å; N381-E384 PolarHBondContact OD1-N 3.17Å; E384-F387 WeakPolarHBondContact O-CB 3.31Å; E384-F387 PolarHBondContact O-N 3.14Å; E384-V388 VanDerWaalsContact O-CG2 3.31Å; E384-V388 WeakPolarHBondContact O-CG2 3.4Å; E384-V388 PolarHBondContact O-N 3.36Å; E384-L420 HydrophobicContact CB-CD2 4.43Å; E384-L420 HydrophobicContact CG-CD2 4.25Å; E384-K421 PolarHBondContact OE1-N 2.84Å; E384-K421 PolarHBondContact OE2-N 2.85Å; E384-S422 WeakPolarHBondContact OE2-CA 3.36Å; E384-S422 WeakPolarHBondContact OE2-CB 3.17Å; E384-S422 PolarHBondContact OE2-N 3.33Å; E384-S422 PolarHBondContact OE2-OG 2.9Å
385	S	96.3	Very high	93.9	Very high	22 Å²	22	58.1 Å²	58.1	15%	0.154	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-46.2	176.7	-172	0	0	0	0	111.4	N381 P382 E383 F387 V388 Q389	N381-S385 WeakPolarHBondContact O-CB 3.15Å; N381-S385 PolarHBondContact O-N 2.87Å; P382-S385 PolarHBondContact O-N 3.28Å; E383-S385 VanDerWaalsContact C-N 3.31Å; E383-S385 PolarHBondContact O-N 3.49Å; S385-F387 VanDerWaalsContact C-N 3.32Å; S385-F387 PolarHBondContact O-N 3.06Å; S385-V388 PolarHBondContact O-N 2.95Å; S385-Q389 VanDerWaalsContact O-CG 3.29Å; S385-Q389 WeakPolarHBondContact O-CG 3.33Å; S385-Q389 PolarHBondContact O-N 3.41Å
386	Q	96.6	Very high	93.8	Very high	129 Å²	129	64.4 Å²	64.4	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-60.9	-40.6	173.6	-73.5	176.2	3.5	0	0	112.1	P382 E383 Q389 L390	P382-Q386 WeakPolarHBondContact O-CG 3.09Å; P382-Q386 PolarHBondContact O-N 3.33Å; E383-Q386 PolarHBondContact O-N 3.46Å; Q386-Q389 PolarHBondContact O-N 3.4Å; Q386-L390 PolarHBondContact O-N 2.89Å
387	F	97.3	Very high	93.9	Very high	57 Å²	57	68 Å²	68	25%	0.25	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-47.2	175.3	177.4	-94.6	0	0	0	111.7	E383 E384 S385 Q389 L390 L391 L401 W405 L420	E383-F387 WeakPolarHBondContact O-CB 3.14Å; E383-F387 PolarHBondContact O-N 3.49Å; E384-F387 WeakPolarHBondContact O-CB 3.31Å; E384-F387 PolarHBondContact O-N 3.14Å; S385-F387 VanDerWaalsContact C-N 3.32Å; S385-F387 PolarHBondContact O-N 3.06Å; F387-Q389 VanDerWaalsContact C-N 3.35Å; F387-Q389 PolarHBondContact O-N 3.09Å; F387-L390 PolarHBondContact O-N 3.25Å; F387-L391 HydrophobicContact CE1-CD2 4.15Å; F387-L391 VanDerWaalsContact O-CB 3.26Å; F387-L391 WeakPolarHBondContact O-CB 3.44Å; F387-L391 PolarHBondContact O-N 3.45Å; F387-L401 HydrophobicContact CD2-CD2 4.26Å; F387-L401 HydrophobicContact CE2-CD1 4.02Å; F387-L401 HydrophobicContact CE2-CD2 3.85Å; F387-L401 HydrophobicContact CE2-CG 4.37Å; F387-L401 HydrophobicContact CZ-CD1 4.34Å; F387-L401 HydrophobicContact CZ-CD2 4.31Å; F387-W405 HydrophobicContact CE1-CD2 4.08Å; F387-W405 HydrophobicContact CE1-CE3 4.04Å; F387-W405 HydrophobicContact CE1-CH2 4.09Å; F387-W405 HydrophobicContact CE1-CZ2 4.06Å; F387-W405 HydrophobicContact CE1-CZ3 4.05Å; F387-W405 AromaticContact CZ-CD2 3.8Å; F387-W405 HydrophobicContact CZ-CD2 3.8Å; F387-W405 AromaticContact CZ-CE2 3.83Å; F387-W405 HydrophobicContact CZ-CE3 4.16Å; F387-W405 HydrophobicContact CZ-CG 4.06Å; F387-W405 HydrophobicContact CZ-CZ2 4.31Å; F387-L420 HydrophobicContact CD1-CD2 3.87Å; F387-L420 HydrophobicContact CE1-CD2 4.16Å
388	V	95.8	Very high	94.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-40.6	177.6	176.4	0	0	0	0	110.9	L372 L376 E384 S385 L390 L391 I392 L420	L372-V388 HydrophobicContact CB-CG1 4.36Å; L376-V388 HydrophobicContact CD1-CB 3.93Å; L376-V388 HydrophobicContact CD1-CG1 3.76Å; E384-V388 VanDerWaalsContact O-CG2 3.31Å; E384-V388 WeakPolarHBondContact O-CG2 3.4Å; E384-V388 PolarHBondContact O-N 3.36Å; S385-V388 PolarHBondContact O-N 2.95Å; V388-L390 PolarHBondContact O-N 2.87Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 2.95Å; V388-I392 HydrophobicContact CG1-CG2 4.43Å; V388-I392 WeakPolarHBondContact O-CG1 3.41Å; V388-I392 PolarHBondContact O-N 2.93Å; V388-L420 HydrophobicContact CG2-CD1 3.56Å
389	Q	95	Very high	94.1	Very high	98 Å²	98	64.7 Å²	64.7	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-45.6	175	-74.5	173.3	18.2	0	0	112.1	L376 S385 Q386 F387 I392 S393	L376-Q389 HydrophobicContact CD1-CG 3.94Å; L376-Q389 HydrophobicContact CD2-CG 3.65Å; L376-Q389 HydrophobicContact CG-CG 4.43Å; S385-Q389 VanDerWaalsContact O-CG 3.29Å; S385-Q389 WeakPolarHBondContact O-CG 3.33Å; S385-Q389 PolarHBondContact O-N 3.41Å; Q386-Q389 PolarHBondContact O-N 3.4Å; F387-Q389 VanDerWaalsContact C-N 3.35Å; F387-Q389 PolarHBondContact O-N 3.09Å; Q389-I392 WeakPolarHBondContact O-CG1 3.48Å; Q389-S393 WeakPolarHBondContact O-CB 3.35Å; Q389-S393 PolarHBondContact O-N 3.48Å; Q389-S393 VanDerWaalsContact O-N 3.09Å
390	L	96.1	Very high	94	Very high	75 Å²	75	69.7 Å²	69.7	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-44.9	175.1	-179.4	60.5	0	0	0	111.1	Q386 F387 V388 I392 S393 D397 G398 L401	Q386-L390 PolarHBondContact O-N 2.89Å; F387-L390 PolarHBondContact O-N 3.25Å; V388-L390 PolarHBondContact O-N 2.87Å; L390-I392 VanDerWaalsContact C-N 3.3Å; L390-I392 PolarHBondContact O-N 2.96Å; L390-S393 WeakPolarHBondContact O-CB 3.45Å; L390-S393 PolarHBondContact O-N 3.3Å; L390-S393 VanDerWaalsContact O-N 3.08Å; L390-S393 PolarHBondContact O-OG 3.42Å; L390-D397 HydrophobicContact CD1-CB 4.34Å; L390-G398 WeakPolarHBondContact O-CA 3.35Å; L390-L401 HydrophobicContact CB-CD2 4.35Å; L390-L401 HydrophobicContact CD2-CD2 3.86Å; L390-L401 HydrophobicContact CG-CD2 3.88Å
391	L	93.7	Very high	94	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-37.4	-179.2	-176.5	69.4	0	0	0	112.9	L372 F387 V388 L401 Y402 W405 I406	L372-L391 HydrophobicContact CD1-CD2 3.78Å; L372-L391 HydrophobicContact CD1-CG 4.38Å; F387-L391 HydrophobicContact CE1-CD2 4.15Å; F387-L391 VanDerWaalsContact O-CB 3.26Å; F387-L391 WeakPolarHBondContact O-CB 3.44Å; F387-L391 PolarHBondContact O-N 3.45Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 2.95Å; L391-L401 HydrophobicContact CB-CD2 4.3Å; L391-L401 HydrophobicContact CD1-CD2 4.3Å; L391-L401 HydrophobicContact CD1-CG 3.89Å; L391-Y402 HydrophobicContact CD1-CD2 4.13Å; L391-Y402 HydrophobicContact CG-CD2 4.2Å; L391-W405 HydrophobicContact CD1-CE3 4.12Å; L391-W405 HydrophobicContact CD2-CE3 3.74Å; L391-W405 HydrophobicContact CD2-CZ3 3.76Å; L391-I406 HydrophobicContact CD1-CG1 4.29Å; L391-I406 HydrophobicContact CD2-CG1 4.38Å
392	I	91.1	Very high	93.8	Very high	30 Å²	30	64.2 Å²	64.2	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-88.2	-12.1	177.4	68.3	-176.7	0	0	0	113.4	L372 V388 Q389 L390	L372-I392 HydrophobicContact CB-CG2 3.48Å; L372-I392 VanDerWaalsContact CB-CG2 3.48Å; L372-I392 HydrophobicContact CD1-CG2 4.16Å; L372-I392 HydrophobicContact CG-CG2 4.49Å; V388-I392 HydrophobicContact CG1-CG2 4.43Å; V388-I392 WeakPolarHBondContact O-CG1 3.41Å; V388-I392 PolarHBondContact O-N 2.93Å; Q389-I392 WeakPolarHBondContact O-CG1 3.48Å; L390-I392 VanDerWaalsContact C-N 3.3Å; L390-I392 PolarHBondContact O-N 2.96Å
393	S	89.9	Confident	93.6	Very high	33 Å²	33	61.7 Å²	61.7	23%	0.231	31%	0.31	C	S	.	.			trans	-63.8	154.8	-179.5	77.8	0	0	0	0	112.1	K369 Q389 L390 S395 G398	K369-S393 PolarHBondContact NZ-O 3.42Å; Q389-S393 WeakPolarHBondContact O-CB 3.35Å; Q389-S393 PolarHBondContact O-N 3.48Å; Q389-S393 VanDerWaalsContact O-N 3.09Å; L390-S393 WeakPolarHBondContact O-CB 3.45Å; L390-S393 PolarHBondContact O-N 3.3Å; L390-S393 VanDerWaalsContact O-N 3.08Å; L390-S393 PolarHBondContact O-OG 3.42Å; S393-S395 VanDerWaalsContact C-N 3.32Å; S393-S395 PolarHBondContact OG-OG 3.25Å; S393-G398 WeakPolarHBondContact OG-CA 3.29Å
394	D	85	Confident	93.4	Very high	85 Å²	85	61.5 Å²	61.5	46%	0.455	31%	0.307	S	S	.	.			trans	-94	9.8	173.3	-70.7	-39.6	0	0	0	112.9	K369 K399	K369-D394 IonicContact NZ-OD1 3.2Å; K369-D394 PolarHBondContact NZ-OD1 3.47Å; K369-D394 VanDerWaalsContact NZ-OD1 3.15Å; D394-K399 WeakPolarHBondContact O-CE 3.42Å
395	S	90.8	Very high	93.3	Very high	51 Å²	51	62 Å²	62	36%	0.357	31%	0.307	S	S	.	.	S	Bend	trans	-61	154.5	167.9	71	0	0	0	0	110.8	S393 D397 G398 K399	S393-S395 VanDerWaalsContact C-N 3.32Å; S393-S395 PolarHBondContact OG-OG 3.25Å; S395-D397 PolarHBondContact O-N 3.35Å; S395-G398 PolarHBondContact O-N 3.25Å; S395-G398 VanDerWaalsContact O-N 3.15Å; S395-G398 PolarHBondContact OG-N 2.91Å; S395-K399 WeakPolarHBondContact O-CG 3.38Å; S395-K399 PolarHBondContact O-N 3.47Å
396	E	91.4	Very high	93.2	Very high	133 Å²	133	61 Å²	61	62%	0.621	30%	0.3	S	S	*	.	H	α-helix	trans	-57	-39.6	177.6	-167.7	-176	161.1	0	0	111.6	K399 K400	E396-K399 PolarHBondContact O-N 3.02Å; E396-K400 HydrophobicContact CG-CD 4.49Å; E396-K400 WeakPolarHBondContact O-CG 3.49Å; E396-K400 PolarHBondContact O-N 2.75Å; E396-K400 VanDerWaalsContact OE1-CE 3.25Å; E396-K400 WeakPolarHBondContact OE1-CE 3.48Å; E396-K400 IonicContact OE1-NZ 3.08Å; E396-K400 PolarHBondContact OE1-NZ 3Å
397	D	94.7	Very high	92.9	Very high	106 Å²	106	58.4 Å²	58.4	57%	0.567	29%	0.29	S	S	*	.	H	α-helix	trans	-66.9	-42.4	176.7	-68.4	-27.1	0	0	0	112.1	L390 S395 K399 K400 L401	L390-D397 HydrophobicContact CD1-CB 4.34Å; S395-D397 PolarHBondContact O-N 3.35Å; D397-K399 PolarHBondContact O-N 2.82Å; D397-K400 PolarHBondContact O-N 2.94Å; D397-L401 VanDerWaalsContact O-CB 3.24Å; D397-L401 WeakPolarHBondContact O-CB 3.44Å; D397-L401 PolarHBondContact O-N 2.86Å
398	G	93.2	Very high	92.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-41.8	175	0	0	0	0	0	113	L390 S393 S395 L401 Y402	L390-G398 WeakPolarHBondContact O-CA 3.35Å; S393-G398 WeakPolarHBondContact OG-CA 3.29Å; S395-G398 PolarHBondContact O-N 3.25Å; S395-G398 VanDerWaalsContact O-N 3.15Å; S395-G398 PolarHBondContact OG-N 2.91Å; G398-L401 PolarHBondContact O-N 2.89Å; G398-Y402 WeakPolarHBondContact O-CB 3.39Å; G398-Y402 PolarHBondContact O-N 2.92Å
399	K	90	Very high	92.5	Very high	69 Å²	69	60.6 Å²	60.6	30%	0.3	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-47	175.3	-69.8	179.3	175.3	-147.8	0	112.2	E193 D394 S395 E396 D397 L401 Y402 S403	E193-K399 VanDerWaalsContact OE1-CD 3.26Å; E193-K399 WeakPolarHBondContact OE1-CD 3.19Å; E193-K399 IonicContact OE1-NZ 2.69Å; E193-K399 PolarHBondContact OE1-NZ 2.94Å; E193-K399 IonicContact OE2-NZ 2.74Å; E193-K399 PolarHBondContact OE2-NZ 2.79Å; D394-K399 WeakPolarHBondContact O-CE 3.42Å; S395-K399 WeakPolarHBondContact O-CG 3.38Å; S395-K399 PolarHBondContact O-N 3.47Å; E396-K399 PolarHBondContact O-N 3.02Å; D397-K399 PolarHBondContact O-N 2.82Å; K399-L401 VanDerWaalsContact C-N 3.32Å; K399-L401 PolarHBondContact O-N 3.33Å; K399-Y402 PolarHBondContact O-N 2.89Å; K399-S403 WeakPolarHBondContact O-CB 3.46Å; K399-S403 PolarHBondContact O-N 3.28Å
400	K	93	Very high	92.3	Very high	117 Å²	117	59.3 Å²	59.3	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-43	175.1	-74.6	173	-174.9	163.9	0	111.2	E396 D397 S403 K404	E396-K400 HydrophobicContact CG-CD 4.49Å; E396-K400 WeakPolarHBondContact O-CG 3.49Å; E396-K400 PolarHBondContact O-N 2.75Å; E396-K400 VanDerWaalsContact OE1-CE 3.25Å; E396-K400 WeakPolarHBondContact OE1-CE 3.48Å; E396-K400 IonicContact OE1-NZ 3.08Å; E396-K400 PolarHBondContact OE1-NZ 3Å; D397-K400 PolarHBondContact O-N 2.94Å; K400-S403 PolarHBondContact O-N 2.76Å; K400-K404 WeakPolarHBondContact O-CB 3.16Å; K400-K404 PolarHBondContact O-N 2.79Å
401	L	95.2	Very high	92.2	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-45.8	178.6	-176.6	61.4	0	0	0	111.4	F387 L390 L391 D397 G398 K399 K404 W405	F387-L401 HydrophobicContact CD2-CD2 4.26Å; F387-L401 HydrophobicContact CE2-CD1 4.02Å; F387-L401 HydrophobicContact CE2-CD2 3.85Å; F387-L401 HydrophobicContact CE2-CG 4.37Å; F387-L401 HydrophobicContact CZ-CD1 4.34Å; F387-L401 HydrophobicContact CZ-CD2 4.31Å; L390-L401 HydrophobicContact CB-CD2 4.35Å; L390-L401 HydrophobicContact CD2-CD2 3.86Å; L390-L401 HydrophobicContact CG-CD2 3.88Å; L391-L401 HydrophobicContact CB-CD2 4.3Å; L391-L401 HydrophobicContact CD1-CD2 4.3Å; L391-L401 HydrophobicContact CD1-CG 3.89Å; D397-L401 VanDerWaalsContact O-CB 3.24Å; D397-L401 WeakPolarHBondContact O-CB 3.44Å; D397-L401 PolarHBondContact O-N 2.86Å; G398-L401 PolarHBondContact O-N 2.89Å; K399-L401 VanDerWaalsContact C-N 3.32Å; K399-L401 PolarHBondContact O-N 3.33Å; L401-K404 PolarHBondContact O-N 3.27Å; L401-W405 HydrophobicContact CD1-CB 4.34Å; L401-W405 WeakPolarHBondContact O-CB 3.45Å; L401-W405 PolarHBondContact O-N 2.94Å
402	Y	93.6	Very high	92.3	Very high	27 Å²	27	56.8 Å²	56.8	11%	0.106	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-46	176.4	-173.5	-93.8	0	0	0	112.1	P367 K369 L372 L391 G398 K399 K404 I406 L407	P367-Y402 PolarHBondContact O-OH 3.38Å; K369-Y402 HydrophobicContact CG-CD2 3.98Å; K369-Y402 HydrophobicContact CG-CE2 3.85Å; K369-Y402 HydrophobicContact CG-CG 4.48Å; L372-Y402 HydrophobicContact CD1-CE2 4.34Å; L391-Y402 HydrophobicContact CD1-CD2 4.13Å; L391-Y402 HydrophobicContact CG-CD2 4.2Å; G398-Y402 WeakPolarHBondContact O-CB 3.39Å; G398-Y402 PolarHBondContact O-N 2.92Å; K399-Y402 PolarHBondContact O-N 2.89Å; Y402-K404 PolarHBondContact O-N 3.28Å; Y402-I406 HydrophobicContact CD2-CB 4.19Å; Y402-I406 HydrophobicContact CD2-CG1 3.87Å; Y402-I406 HydrophobicContact CE1-CG2 4.47Å; Y402-I406 HydrophobicContact CE2-CB 4Å; Y402-I406 HydrophobicContact CE2-CG1 3.79Å; Y402-I406 HydrophobicContact CE2-CG2 4.05Å; Y402-I406 WeakPolarHBondContact O-CA 3.16Å; Y402-I406 WeakPolarHBondContact O-CB 2.9Å; Y402-I406 PolarHBondContact O-N 3.11Å; Y402-L407 HydrophobicContact CD1-CD1 4.06Å; Y402-L407 HydrophobicContact CD1-CG 4.06Å; Y402-L407 HydrophobicContact CE1-CD1 3.93Å; Y402-L407 HydrophobicContact CE1-CD2 3.86Å; Y402-L407 HydrophobicContact CE1-CG 3.77Å; Y402-L407 PolarHBondContact O-N 3.37Å
403	S	91.9	Very high	92.5	Very high	40 Å²	40	55.4 Å²	55.4	28%	0.28	27%	0.274	S	S	.	.	I	π-helix	trans	-56.2	-52.9	175.6	-173.9	0	0	0	0	111.3	K399 K400 L407 E408	K399-S403 WeakPolarHBondContact O-CB 3.46Å; K399-S403 PolarHBondContact O-N 3.28Å; K400-S403 PolarHBondContact O-N 2.76Å; S403-L407 WeakPolarHBondContact O-CB 3.39Å; S403-L407 PolarHBondContact O-N 3.39Å; S403-L407 VanDerWaalsContact O-N 3.15Å; S403-E408 WeakPolarHBondContact O-CG 3.46Å; S403-E408 PolarHBondContact O-N 2.74Å; S403-E408 PolarHBondContact OG-OE1 2.57Å
404	K	93.4	Very high	92.8	Very high	149 Å²	149	54 Å²	54	65%	0.648	26%	0.264	S	S	*	.	I	π-helix	trans	-70.1	-46.7	-175.1	-174.1	177.9	-180	-179.6	0	112.9	K400 L401 Y402	K400-K404 WeakPolarHBondContact O-CB 3.16Å; K400-K404 PolarHBondContact O-N 2.79Å; L401-K404 PolarHBondContact O-N 3.27Å; Y402-K404 PolarHBondContact O-N 3.28Å
405	W	94.8	Very high	93.4	Very high	41 Å²	41	52 Å²	52	16%	0.155	25%	0.253	C	S	.	.	I	π-helix	trans	-82.6	-40.4	-171.7	-164.9	80.6	0	0	0	112.2	F387 L391 L401 R411 V416 D419 L420	F387-W405 HydrophobicContact CE1-CD2 4.08Å; F387-W405 HydrophobicContact CE1-CE3 4.04Å; F387-W405 HydrophobicContact CE1-CH2 4.09Å; F387-W405 HydrophobicContact CE1-CZ2 4.06Å; F387-W405 HydrophobicContact CE1-CZ3 4.05Å; F387-W405 AromaticContact CZ-CD2 3.8Å; F387-W405 HydrophobicContact CZ-CD2 3.8Å; F387-W405 AromaticContact CZ-CE2 3.83Å; F387-W405 HydrophobicContact CZ-CE3 4.16Å; F387-W405 HydrophobicContact CZ-CG 4.06Å; F387-W405 HydrophobicContact CZ-CZ2 4.31Å; L391-W405 HydrophobicContact CD1-CE3 4.12Å; L391-W405 HydrophobicContact CD2-CE3 3.74Å; L391-W405 HydrophobicContact CD2-CZ3 3.76Å; L401-W405 HydrophobicContact CD1-CB 4.34Å; L401-W405 WeakPolarHBondContact O-CB 3.45Å; L401-W405 PolarHBondContact O-N 2.94Å; W405-R411 VanDerWaalsContact CE2-NE 3.25Å; W405-R411 VanDerWaalsContact NE1-CZ 3.3Å; W405-R411 WeakPolarHBondContact O-CD 3.41Å; W405-R411 WeakPolarHBondContact O-CG 3.36Å; W405-R411 PolarHBondContact O-NH1 2.74Å; W405-V416 HydrophobicContact CH2-CG1 4.35Å; W405-V416 HydrophobicContact CH2-CG2 4.06Å; W405-V416 HydrophobicContact CZ3-CG2 3.92Å; W405-D419 HydrophobicContact CH2-CB 4.29Å; W405-D419 HydrophobicContact CZ2-CB 3.73Å; W405-L420 HydrophobicContact CH2-CD1 4.14Å; W405-L420 HydrophobicContact CH2-CD2 4.45Å; W405-L420 HydrophobicContact CH2-CG 4.04Å
406	I	94.1	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-93.1	-57.8	-179.9	-62.6	-65.1	0	0	0	111.9	P366 P367 L391 Y402 H410 R411 V416	P366-I406 HydrophobicContact CB-CG2 3.49Å; P366-I406 VanDerWaalsContact CB-CG2 3.49Å; P367-I406 HydrophobicContact CG-CD1 4.12Å; L391-I406 HydrophobicContact CD1-CG1 4.29Å; L391-I406 HydrophobicContact CD2-CG1 4.38Å; Y402-I406 HydrophobicContact CD2-CB 4.19Å; Y402-I406 HydrophobicContact CD2-CG1 3.87Å; Y402-I406 HydrophobicContact CE1-CG2 4.47Å; Y402-I406 HydrophobicContact CE2-CB 4Å; Y402-I406 HydrophobicContact CE2-CG1 3.79Å; Y402-I406 HydrophobicContact CE2-CG2 4.05Å; Y402-I406 WeakPolarHBondContact O-CA 3.16Å; Y402-I406 WeakPolarHBondContact O-CB 2.9Å; Y402-I406 PolarHBondContact O-N 3.11Å; I406-H410 WeakPolarHBondContact O-CA 3.11Å; I406-H410 PolarHBondContact O-N 3.25Å; I406-H410 VanDerWaalsContact O-N 3.12Å; I406-R411 HydrophobicContact CD1-CB 4.15Å; I406-R411 PolarHBondContact O-N 2.8Å; I406-V416 HydrophobicContact CD1-CG2 3.8Å
407	L	91.5	Very high	93.9	Very high	75 Å²	75	43.2 Å²	43.2	39%	0.393	21%	0.207	S	C	.	.	I	π-helix	trans	-77.5	-55.6	-165.5	-59	179.9	0	0	0	113.1	P366 Y402 S403 D409 H410	P366-L407 HydrophobicContact CB-CD2 3.98Å; P366-L407 HydrophobicContact CG-CD2 4.08Å; Y402-L407 HydrophobicContact CD1-CD1 4.06Å; Y402-L407 HydrophobicContact CD1-CG 4.06Å; Y402-L407 HydrophobicContact CE1-CD1 3.93Å; Y402-L407 HydrophobicContact CE1-CD2 3.86Å; Y402-L407 HydrophobicContact CE1-CG 3.77Å; Y402-L407 PolarHBondContact O-N 3.37Å; S403-L407 WeakPolarHBondContact O-CB 3.39Å; S403-L407 PolarHBondContact O-N 3.39Å; S403-L407 VanDerWaalsContact O-N 3.15Å; L407-D409 VanDerWaalsContact C-N 3.31Å; L407-D409 PolarHBondContact O-N 3.02Å; L407-H410 PolarHBondContact O-CE1 2.96Å; L407-H410 PolarHBondContact O-N 3.04Å; L407-H410 PolarHBondContact O-ND1 3.23Å
408	E	90.6	Very high	93.9	Very high	96 Å²	96	42.4 Å²	42.4	45%	0.449	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-32.9	-177.5	-70.9	169.7	-146.8	0	0	112.5	S403 H410	S403-E408 WeakPolarHBondContact O-CG 3.46Å; S403-E408 PolarHBondContact O-N 2.74Å; S403-E408 PolarHBondContact OG-OE1 2.57Å; E408-H410 VanDerWaalsContact C-N 3.34Å; E408-H410 PolarHBondContact O-CD2 3.41Å; E408-H410 VanDerWaalsContact O-CD2 3.31Å
409	D	92.5	Very high	94	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.043	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5	178	-154.8	47.2	0	0	0	113.3	L407 R411 T466 S468 R470	L407-D409 VanDerWaalsContact C-N 3.31Å; L407-D409 PolarHBondContact O-N 3.02Å; D409-R411 VanDerWaalsContact C-N 3.31Å; D409-R411 PolarHBondContact O-N 3.38Å; D409-R411 IonicContact OD2-CZ 2.74Å; D409-R411 IonicContact OD2-NH1 3.17Å; D409-R411 PolarHBondContact OD2-NH1 3.34Å; D409-R411 IonicContact OD2-NH2 2.76Å; D409-T466 WeakPolarHBondContact OD1-CB 3.35Å; D409-T466 PolarHBondContact OD1-OG1 3.43Å; D409-S468 WeakPolarHBondContact OD1-CB 3.48Å; D409-S468 PolarHBondContact OD1-N 3.37Å; D409-S468 PolarHBondContact OD1-OG 2.83Å; D409-S468 WeakPolarHBondContact OD2-CB 3.4Å; D409-S468 PolarHBondContact OD2-OG 3.38Å; D409-R470 IonicContact OD2-CZ 2.69Å; D409-R470 IonicContact OD2-NE 2.67Å; D409-R470 PolarHBondContact OD2-NE 2.7Å; D409-R470 VanDerWaalsContact OD2-NE 3.13Å; D409-R470 IonicContact OD2-NH1 3.17Å; D409-R470 PolarHBondContact OD2-NH1 3Å; D409-R470 IonicContact OD2-NH2 2.9Å
410	H	92.5	Very high	94.3	Very high	71 Å²	71	42.9 Å²	42.9	33%	0.329	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.4	173.8	-61.4	-76.4	0	0	0	114.7	I406 L407 E408 G412 Y464 F472	I406-H410 WeakPolarHBondContact O-CA 3.11Å; I406-H410 PolarHBondContact O-N 3.25Å; I406-H410 VanDerWaalsContact O-N 3.12Å; L407-H410 PolarHBondContact O-CE1 2.96Å; L407-H410 PolarHBondContact O-N 3.04Å; L407-H410 PolarHBondContact O-ND1 3.23Å; E408-H410 VanDerWaalsContact C-N 3.34Å; E408-H410 PolarHBondContact O-CD2 3.41Å; E408-H410 VanDerWaalsContact O-CD2 3.31Å; H410-G412 PolarHBondContact O-N 2.63Å; H410-Y464 AromaticContact CD2-CE2 3.77Å; H410-Y464 AromaticContact CD2-CZ 3.85Å; H410-Y464 PolarHBondContact CD2-OH 3.34Å; H410-Y464 PolarHBondContact CE1-OH 2.65Å; H410-Y464 VanDerWaalsContact CE1-OH 3.25Å; H410-Y464 AromaticContact NE2-CZ 3.85Å; H410-Y464 PolarHBondContact NE2-OH 3.27Å; H410-F472 HydrophobicContact CB-CB 4.44Å; H410-F472 HydrophobicContact CB-CD2 3.41Å; H410-F472 VanDerWaalsContact CB-CD2 3.41Å; H410-F472 HydrophobicContact CB-CE2 3.78Å; H410-F472 HydrophobicContact CB-CG 4Å
411	R	94.1	Very high	94.5	Very high	19 Å²	19	44.8 Å²	44.8	7%	0.072	21%	0.213	C	C	.	.			trans	-70.5	123	178.1	-74.8	-173.1	167.7	65.7	3.7	110.9	P366 P367 W405 I406 D409 D415 V416 D419 R470	P366-R411 WeakPolarHBondContact CA-O 3.43Å; P367-R411 VanDerWaalsContact CD-O 3.22Å; P367-R411 WeakPolarHBondContact CD-O 3.49Å; W405-R411 VanDerWaalsContact CE2-NE 3.25Å; W405-R411 VanDerWaalsContact NE1-CZ 3.3Å; W405-R411 WeakPolarHBondContact O-CD 3.41Å; W405-R411 WeakPolarHBondContact O-CG 3.36Å; W405-R411 PolarHBondContact O-NH1 2.74Å; I406-R411 HydrophobicContact CD1-CB 4.15Å; I406-R411 PolarHBondContact O-N 2.8Å; D409-R411 VanDerWaalsContact C-N 3.31Å; D409-R411 PolarHBondContact O-N 3.38Å; D409-R411 IonicContact OD2-CZ 2.74Å; D409-R411 IonicContact OD2-NH1 3.17Å; D409-R411 PolarHBondContact OD2-NH1 3.34Å; D409-R411 IonicContact OD2-NH2 2.76Å; R411-D415 HydrophobicContact CB-CB 3.96Å; R411-D415 HydrophobicContact CG-CB 3.95Å; R411-V416 HydrophobicContact CB-CG2 4.35Å; R411-D419 IonicContact CZ-OD2 3.39Å; R411-D419 IonicContact NE-OD2 2.63Å; R411-D419 PolarHBondContact NE-OD2 3.2Å; R411-D419 IonicContact NH2-OD2 3.9Å; R411-D419 PolarHBondContact NH2-OD2 2.87Å; R411-R470 VanDerWaalsContact CG-NH2 3.33Å; R411-R470 VanDerWaalsContact CZ-NH1 3.34Å; R411-R470 VanDerWaalsContact NH2-NH2 3.11Å
412	G	94.6	Very high	94.6	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	21%	0.207	C	C	.	.			trans	-87.5	-171	166.5	0	0	0	0	0	112.4	H410 V414 D415 V416	H410-G412 PolarHBondContact O-N 2.63Å; G412-V414 PolarHBondContact O-N 2.99Å; G412-D415 PolarHBondContact N-OD2 3.32Å; G412-D415 PolarHBondContact O-N 3.42Å; G412-V416 PolarHBondContact O-N 3.24Å
413	L	96.3	Very high	94.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-45.1	179.4	174.5	63.6	0	0	0	112.2	I320 I363 D415 V416 L417 L430 L434	I320-L413 HydrophobicContact CD1-CD2 3.89Å; I320-L413 HydrophobicContact CG1-CD2 4.48Å; I363-L413 HydrophobicContact CB-CB 4.4Å; I363-L413 HydrophobicContact CB-CD2 4.46Å; I363-L413 HydrophobicContact CG2-CD2 4.24Å; I363-L413 PolarHBondContact O-N 2.67Å; L413-D415 VanDerWaalsContact C-N 3.34Å; L413-D415 PolarHBondContact O-N 2.95Å; L413-V416 PolarHBondContact O-N 3.4Å; L413-L417 HydrophobicContact CD1-CD1 4.05Å; L413-L417 HydrophobicContact CD1-CG 4.2Å; L413-L417 HydrophobicContact CG-CD1 3.89Å; L413-L417 HydrophobicContact CG-CG 4.46Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 2.76Å; L413-L430 HydrophobicContact CD1-CD1 4.24Å; L413-L430 HydrophobicContact CD1-CD2 3.9Å; L413-L430 HydrophobicContact CD2-CD1 4.24Å; L413-L434 HydrophobicContact CD2-CD1 3.88Å; L413-L434 HydrophobicContact CD2-CD2 4.22Å
414	V	96.6	Very high	94.9	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-41.8	-178.6	178.3	0	0	0	0	110.9	L316 K319 I320 L323 G412 V416 L417 Q418	L316-V414 HydrophobicContact CB-CG2 4.18Å; L316-V414 HydrophobicContact CD2-CB 4.43Å; L316-V414 HydrophobicContact CD2-CG1 4.32Å; L316-V414 HydrophobicContact CD2-CG2 4.33Å; K319-V414 HydrophobicContact CB-CG1 4.07Å; K319-V414 HydrophobicContact CD-CG1 3.99Å; I320-V414 HydrophobicContact CD1-CG2 4.07Å; I320-V414 HydrophobicContact CG1-CG2 3.66Å; L323-V414 HydrophobicContact CD1-CG1 4.34Å; G412-V414 PolarHBondContact O-N 2.99Å; V414-V416 VanDerWaalsContact C-N 3.31Å; V414-V416 PolarHBondContact O-N 3.07Å; V414-L417 PolarHBondContact O-N 3.44Å; V414-Q418 HydrophobicContact CG1-CG 4.27Å; V414-Q418 WeakPolarHBondContact O-CB 3.46Å; V414-Q418 VanDerWaalsContact O-CG 3.26Å; V414-Q418 WeakPolarHBondContact O-CG 3.47Å; V414-Q418 PolarHBondContact O-N 3.48Å
415	D	95.7	Very high	95	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.219	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-41.9	177.5	-58	-76	0	0	0	111.4	R411 G412 L413 Q418 D419 R470	R411-D415 HydrophobicContact CB-CB 3.96Å; R411-D415 HydrophobicContact CG-CB 3.95Å; G412-D415 PolarHBondContact N-OD2 3.32Å; G412-D415 PolarHBondContact O-N 3.42Å; L413-D415 VanDerWaalsContact C-N 3.34Å; L413-D415 PolarHBondContact O-N 2.95Å; D415-Q418 PolarHBondContact O-N 3.27Å; D415-D419 WeakPolarHBondContact O-CB 3.2Å; D415-D419 PolarHBondContact O-N 3.49Å; D415-R470 WeakPolarHBondContact OD1-CD 3Å
416	V	96.2	Very high	95.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-43.5	177.7	174.4	0	0	0	0	111.8	P367 L372 W405 I406 R411 G412 L413 V414 Q418 D419 L420 F423	P367-V416 HydrophobicContact CG-CG2 3.77Å; L372-V416 HydrophobicContact CD2-CG1 4.26Å; W405-V416 HydrophobicContact CH2-CG1 4.35Å; W405-V416 HydrophobicContact CH2-CG2 4.06Å; W405-V416 HydrophobicContact CZ3-CG2 3.92Å; I406-V416 HydrophobicContact CD1-CG2 3.8Å; R411-V416 HydrophobicContact CB-CG2 4.35Å; G412-V416 PolarHBondContact O-N 3.24Å; L413-V416 PolarHBondContact O-N 3.4Å; V414-V416 VanDerWaalsContact C-N 3.31Å; V414-V416 PolarHBondContact O-N 3.07Å; V416-Q418 VanDerWaalsContact C-N 3.26Å; V416-Q418 PolarHBondContact O-N 2.7Å; V416-D419 PolarHBondContact O-N 3.42Å; V416-L420 HydrophobicContact CG1-CD1 3.92Å; V416-L420 WeakPolarHBondContact O-CB 3.21Å; V416-L420 PolarHBondContact O-N 3.15Å; V416-F423 HydrophobicContact CG1-CD1 4.28Å; V416-F423 HydrophobicContact CG1-CE1 4.4Å
417	L	97.1	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-31.3	176.9	-70.8	168.1	0	0	0	113	I320 L323 L324 L413 V414 L420 F423 R424	I320-L417 HydrophobicContact CG1-CD1 4.47Å; L323-L417 HydrophobicContact CB-CB 4.43Å; L323-L417 HydrophobicContact CD1-CB 3.74Å; L324-L417 HydrophobicContact CD2-CD1 4.42Å; L324-L417 HydrophobicContact CD2-CD2 3.72Å; L324-L417 HydrophobicContact CG-CD1 4.44Å; L413-L417 HydrophobicContact CD1-CD1 4.05Å; L413-L417 HydrophobicContact CD1-CG 4.2Å; L413-L417 HydrophobicContact CG-CD1 3.89Å; L413-L417 HydrophobicContact CG-CG 4.46Å; L413-L417 WeakPolarHBondContact O-CG 3.35Å; L413-L417 PolarHBondContact O-N 2.76Å; V414-L417 PolarHBondContact O-N 3.44Å; L417-L420 VanDerWaalsContact O-O 3.13Å; L417-F423 HydrophobicContact CD2-CD1 3.81Å; L417-F423 HydrophobicContact CD2-CE1 4.29Å; L417-F423 WeakPolarHBondContact CD2-O 3.38Å; L417-R424 PolarHBondContact O-NH1 3.48Å; L417-R424 PolarHBondContact O-NH2 2.96Å
418	Q	95.8	Very high	95.4	Very high	88 Å²	88	36 Å²	36	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-77.7	-44.2	177	-72.9	-175.3	-49.6	0	0	112.3	L323 V414 D415 V416	L323-Q418 HydrophobicContact CD1-CG 3.7Å; L323-Q418 HydrophobicContact CD2-CG 4.37Å; V414-Q418 HydrophobicContact CG1-CG 4.27Å; V414-Q418 WeakPolarHBondContact O-CB 3.46Å; V414-Q418 VanDerWaalsContact O-CG 3.26Å; V414-Q418 WeakPolarHBondContact O-CG 3.47Å; V414-Q418 PolarHBondContact O-N 3.48Å; D415-Q418 PolarHBondContact O-N 3.27Å; V416-Q418 VanDerWaalsContact C-N 3.26Å; V416-Q418 PolarHBondContact O-N 2.7Å
419	D	95.4	Very high	95.6	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-73	-36.4	-178.8	-73.1	-5.6	0	0	0	111.5	W405 R411 D415 V416 R470	W405-D419 HydrophobicContact CH2-CB 4.29Å; W405-D419 HydrophobicContact CZ2-CB 3.73Å; R411-D419 IonicContact CZ-OD2 3.39Å; R411-D419 IonicContact NE-OD2 2.63Å; R411-D419 PolarHBondContact NE-OD2 3.2Å; R411-D419 IonicContact NH2-OD2 3.9Å; R411-D419 PolarHBondContact NH2-OD2 2.87Å; D415-D419 WeakPolarHBondContact O-CB 3.2Å; D415-D419 PolarHBondContact O-N 3.49Å; V416-D419 PolarHBondContact O-N 3.42Å; D419-R470 IonicContact OD2-NH2 2.68Å; D419-R470 PolarHBondContact OD2-NH2 3.07Å
420	L	96.5	Very high	95.8	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	16%	0.155	C	C	.	.	S	Bend	trans	-104.1	95.6	176.4	-56.2	178.8	0	0	0	110.1	E384 F387 V388 W405 V416 L417 S422 F423 R424	E384-L420 HydrophobicContact CB-CD2 4.43Å; E384-L420 HydrophobicContact CG-CD2 4.25Å; F387-L420 HydrophobicContact CD1-CD2 3.87Å; F387-L420 HydrophobicContact CE1-CD2 4.16Å; V388-L420 HydrophobicContact CG2-CD1 3.56Å; W405-L420 HydrophobicContact CH2-CD1 4.14Å; W405-L420 HydrophobicContact CH2-CD2 4.45Å; W405-L420 HydrophobicContact CH2-CG 4.04Å; V416-L420 HydrophobicContact CG1-CD1 3.92Å; V416-L420 WeakPolarHBondContact O-CB 3.21Å; V416-L420 PolarHBondContact O-N 3.15Å; L417-L420 VanDerWaalsContact O-O 3.13Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 2.98Å; L420-F423 HydrophobicContact CB-CB 3.62Å; L420-F423 HydrophobicContact CD1-CB 4.32Å; L420-F423 PolarHBondContact O-N 3.34Å; L420-R424 PolarHBondContact O-NH1 3.01Å
421	K	96.4	Very high	95.9	Very high	158 Å²	158	28.5 Å²	28.5	69%	0.687	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.8	-169.7	-66.4	-178.8	-177.3	175.4	0	113.1	E384 R424	E384-K421 PolarHBondContact OE1-N 2.84Å; E384-K421 PolarHBondContact OE2-N 2.85Å; K421-R424 PolarHBondContact O-NH1 2.84Å; K421-R424 VanDerWaalsContact O-NH1 3.11Å; K421-R424 PolarHBondContact O-NH2 2.78Å; K421-R424 VanDerWaalsContact O-NH2 3.14Å
422	S	96.8	Very high	95.8	Very high	12 Å²	12	28.5 Å²	28.5	8%	0.084	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.6	177.2	78.7	0	0	0	0	113.5	S378 V379 T380 N381 E384 L420 R424	S378-S422 VanDerWaalsContact O-O 3.06Å; V379-S422 VanDerWaalsContact CG1-OG 3.24Å; V379-S422 WeakPolarHBondContact CG1-OG 3.29Å; T380-S422 WeakPolarHBondContact OG1-CB 2.99Å; N381-S422 VanDerWaalsContact CB-OG 3.27Å; N381-S422 WeakPolarHBondContact CB-OG 3.2Å; N381-S422 PolarHBondContact N-OG 3.34Å; N381-S422 VanDerWaalsContact N-OG 3.1Å; E384-S422 WeakPolarHBondContact OE2-CA 3.36Å; E384-S422 WeakPolarHBondContact OE2-CB 3.17Å; E384-S422 PolarHBondContact OE2-N 3.33Å; E384-S422 PolarHBondContact OE2-OG 2.9Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 2.98Å; S422-R424 PolarHBondContact O-N 3.19Å
423	F	96.3	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-70.3	93.9	174.8	-173.7	-95.2	0	0	0	109.6	L371 L372 C375 V379 V416 L417 L420 P425	L371-F423 HydrophobicContact CD2-CZ 4.41Å; L372-F423 HydrophobicContact CD2-CE2 4.31Å; L372-F423 HydrophobicContact CD2-CZ 4.08Å; C375-F423 HydrophobicContact CB-CE2 3.51Å; C375-F423 HydrophobicContact CB-CZ 3.45Å; C375-F423 VanDerWaalsContact CB-CZ 3.45Å; V379-F423 HydrophobicContact CG2-CB 4.31Å; V379-F423 HydrophobicContact CG2-CD2 3.48Å; V379-F423 VanDerWaalsContact CG2-CD2 3.48Å; V379-F423 HydrophobicContact CG2-CE2 4.27Å; V379-F423 HydrophobicContact CG2-CG 4.34Å; V416-F423 HydrophobicContact CG1-CD1 4.28Å; V416-F423 HydrophobicContact CG1-CE1 4.4Å; L417-F423 HydrophobicContact CD2-CD1 3.81Å; L417-F423 HydrophobicContact CD2-CE1 4.29Å; L417-F423 WeakPolarHBondContact CD2-O 3.38Å; L420-F423 HydrophobicContact CB-CB 3.62Å; L420-F423 HydrophobicContact CD1-CB 4.32Å; L420-F423 PolarHBondContact O-N 3.34Å; F423-P425 VanDerWaalsContact C-CD 3.46Å; F423-P425 HydrophobicContact CD1-CG 4.18Å; F423-P425 HydrophobicContact CE1-CG 3.67Å; F423-P425 HydrophobicContact CZ-CG 4.02Å
424	R	96.4	Very high	95.4	Very high	85 Å²	85	29.5 Å²	29.5	32%	0.321	15%	0.146	S	C	.	.			trans	-129.3	65.3	-176	-64.5	-63.4	179.8	-89.7	3.6	111.5	L323 L417 L420 K421 S422	L323-R424 WeakPolarHBondContact O-CD 3.27Å; L323-R424 PolarHBondContact O-NE 3.19Å; L417-R424 PolarHBondContact O-NH1 3.48Å; L417-R424 PolarHBondContact O-NH2 2.96Å; L420-R424 PolarHBondContact O-NH1 3.01Å; K421-R424 PolarHBondContact O-NH1 2.84Å; K421-R424 VanDerWaalsContact O-NH1 3.11Å; K421-R424 PolarHBondContact O-NH2 2.78Å; K421-R424 VanDerWaalsContact O-NH2 3.14Å; S422-R424 PolarHBondContact O-N 3.19Å
425	P	95.6	Very high	95	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.026	16%	0.161	C	C	.	.			trans	-68.5	153.4	-179.8	29.1	-35.9	0	0	0	112	C375 S378 F423 A427 L430	C375-P425 HydrophobicContact CB-CB 3.86Å; C375-P425 HydrophobicContact CB-CG 4.35Å; C375-P425 WeakPolarHBondContact SG-CB 3.29Å; S378-P425 WeakPolarHBondContact OG-CA 3.48Å; F423-P425 VanDerWaalsContact C-CD 3.46Å; F423-P425 HydrophobicContact CD1-CG 4.18Å; F423-P425 HydrophobicContact CE1-CG 3.67Å; F423-P425 HydrophobicContact CZ-CG 4.02Å; P425-A427 PolarHBondContact O-N 2.92Å; P425-L430 HydrophobicContact CB-CD2 4.41Å; P425-L430 HydrophobicContact CB-CG 4.31Å; P425-L430 HydrophobicContact CG-CD1 3.88Å; P425-L430 HydrophobicContact CG-CD2 3.72Å; P425-L430 HydrophobicContact CG-CG 3.78Å
426	P	95.7	Very high	94.5	Very high	66 Å²	66	33.6 Å²	33.6	43%	0.429	17%	0.171	S	C	.	.			trans	-55.3	134.6	170.3	-24	33.8	0	0	0	111.7	D428 L429 L430	P426-D428 VanDerWaalsContact C-N 3.27Å; P426-D428 WeakPolarHBondContact CB-OD1 3.47Å; P426-D428 PolarHBondContact O-N 3.19Å; P426-L429 HydrophobicContact CB-CB 4.25Å; P426-L429 WeakPolarHBondContact O-CB 3.03Å; P426-L429 PolarHBondContact O-N 3.25Å; P426-L430 PolarHBondContact O-N 3.11Å; P426-L430 VanDerWaalsContact O-N 3.16Å
427	A	96.9	Very high	94.1	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-33.9	-175.6	0	0	0	0	0	113.1	L324 I326 Y353 F357 P425 L430 L431	L324-A427 HydrophobicContact CD1-CB 4.19Å; I326-A427 HydrophobicContact CD1-CB 3.59Å; I326-A427 HydrophobicContact CG2-CB 4.12Å; Y353-A427 HydrophobicContact CD1-CB 4Å; Y353-A427 HydrophobicContact CE1-CB 3.6Å; F357-A427 HydrophobicContact CE2-CB 4.44Å; F357-A427 HydrophobicContact CZ-CB 4.31Å; P425-A427 PolarHBondContact O-N 2.92Å; A427-L430 WeakPolarHBondContact O-CB 3.43Å; A427-L430 PolarHBondContact O-N 3.3Å; A427-L431 WeakPolarHBondContact O-CB 3.45Å; A427-L431 WeakPolarHBondContact O-CG 3.32Å; A427-L431 PolarHBondContact O-N 3.36Å
428	D	95.4	Very high	93.5	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-34.9	174.4	59.4	-55.6	0	0	0	112.7	R229 L233 L334 P426 E432	R229-D428 IonicContact CZ-OD2 3.33Å; R229-D428 IonicContact NH1-OD2 3.87Å; R229-D428 PolarHBondContact NH1-OD2 2.98Å; R229-D428 IonicContact NH2-OD2 2.74Å; R229-D428 PolarHBondContact NH2-OD2 2.89Å; L233-D428 HydrophobicContact CB-CB 4.23Å; L233-D428 HydrophobicContact CD1-CB 4.11Å; L233-D428 HydrophobicContact CD2-CB 4.01Å; L233-D428 HydrophobicContact CG-CB 4.34Å; L334-D428 HydrophobicContact CD2-CB 3.88Å; P426-D428 VanDerWaalsContact C-N 3.27Å; P426-D428 WeakPolarHBondContact CB-OD1 3.47Å; P426-D428 PolarHBondContact O-N 3.19Å; D428-E432 WeakPolarHBondContact O-CB 3.15Å; D428-E432 PolarHBondContact O-N 2.8Å
429	L	94.9	Very high	93.2	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-67.9	-40.7	173.2	178.9	61.6	0	0	0	111.3	Y227 P426 E432 L433	Y227-L429 HydrophobicContact CD1-CD1 3.94Å; Y227-L429 HydrophobicContact CE1-CD1 3.75Å; P426-L429 HydrophobicContact CB-CB 4.25Å; P426-L429 WeakPolarHBondContact O-CB 3.03Å; P426-L429 PolarHBondContact O-N 3.25Å; L429-E432 PolarHBondContact O-N 2.79Å; L429-L433 HydrophobicContact CD1-CD1 3.57Å; L429-L433 HydrophobicContact CD1-CG 4.12Å; L429-L433 HydrophobicContact CG-CD1 3.91Å; L429-L433 WeakPolarHBondContact O-CB 3.46Å; L429-L433 WeakPolarHBondContact O-CG 3.18Å; L429-L433 PolarHBondContact O-N 3.43Å; L429-L433 VanDerWaalsContact O-N 3.12Å
430	L	95.8	Very high	93	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-48.7	173.6	-71.5	175.6	0	0	0	111.3	L324 L371 L413 P425 P426 A427 E432 L433 L434	L324-L430 HydrophobicContact CD1-CD1 3.56Å; L371-L430 HydrophobicContact CD1-CD2 4.29Å; L371-L430 HydrophobicContact CD2-CD2 4.06Å; L371-L430 HydrophobicContact CG-CD2 4.41Å; L413-L430 HydrophobicContact CD1-CD1 4.24Å; L413-L430 HydrophobicContact CD1-CD2 3.9Å; L413-L430 HydrophobicContact CD2-CD1 4.24Å; P425-L430 HydrophobicContact CB-CD2 4.41Å; P425-L430 HydrophobicContact CB-CG 4.31Å; P425-L430 HydrophobicContact CG-CD1 3.88Å; P425-L430 HydrophobicContact CG-CD2 3.72Å; P425-L430 HydrophobicContact CG-CG 3.78Å; P426-L430 PolarHBondContact O-N 3.11Å; P426-L430 VanDerWaalsContact O-N 3.16Å; A427-L430 WeakPolarHBondContact O-CB 3.43Å; A427-L430 PolarHBondContact O-N 3.3Å; L430-E432 PolarHBondContact O-N 2.62Å; L430-L433 PolarHBondContact O-N 3.35Å; L430-L434 HydrophobicContact CB-CD1 4.22Å; L430-L434 WeakPolarHBondContact O-CB 3.44Å; L430-L434 WeakPolarHBondContact O-CD1 3.41Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 3.25Å
431	L	95.1	Very high	92.8	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-33.7	179.1	-76.8	-177.1	0	0	0	113	I332 L334 F347 Y353 A356 F357 V361 A427	I332-L431 HydrophobicContact CD1-CD1 3.72Å; L334-L431 HydrophobicContact CD1-CB 4Å; F347-L431 HydrophobicContact CE1-CB 3.85Å; F347-L431 HydrophobicContact CE1-CD2 4.46Å; F347-L431 HydrophobicContact CZ-CB 4.06Å; F347-L431 HydrophobicContact CZ-CD1 4Å; F347-L431 HydrophobicContact CZ-CG 4.47Å; Y353-L431 HydrophobicContact CD1-CD1 3.62Å; Y353-L431 HydrophobicContact CE1-CD1 3.96Å; A356-L431 HydrophobicContact CB-CD1 3.68Å; A356-L431 HydrophobicContact CB-CD2 3.64Å; A356-L431 HydrophobicContact CB-CG 4.33Å; F357-L431 HydrophobicContact CD1-CD2 3.6Å; F357-L431 HydrophobicContact CD1-CG 4.5Å; F357-L431 HydrophobicContact CD2-CD2 4.37Å; F357-L431 HydrophobicContact CE1-CD2 3.45Å; F357-L431 VanDerWaalsContact CE1-CD2 3.45Å; F357-L431 HydrophobicContact CE1-CG 3.91Å; F357-L431 HydrophobicContact CE2-CD1 4.49Å; F357-L431 HydrophobicContact CE2-CD2 4.25Å; F357-L431 HydrophobicContact CE2-CG 4.3Å; F357-L431 HydrophobicContact CG-CD2 4.06Å; F357-L431 HydrophobicContact CZ-CD1 4.43Å; F357-L431 HydrophobicContact CZ-CD2 3.8Å; F357-L431 HydrophobicContact CZ-CG 3.8Å; V361-L431 HydrophobicContact CG1-CD2 4.12Å; V361-L431 HydrophobicContact CG2-CD2 3.68Å; A427-L431 WeakPolarHBondContact O-CB 3.45Å; A427-L431 WeakPolarHBondContact O-CG 3.32Å; A427-L431 PolarHBondContact O-N 3.36Å
432	E	92.2	Very high	92.8	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-37.3	173.1	169.1	173.9	157.8	0	0	112.8	Y227 R229 M230 Y231 D428 L429 L430	Y227-E432 WeakPolarHBondContact CE1-OE1 3.35Å; Y227-E432 VanDerWaalsContact CZ-OE1 3.29Å; Y227-E432 PolarHBondContact OH-OE1 3.44Å; R229-E432 IonicContact CZ-OE2 3.29Å; R229-E432 IonicContact NE-OE1 3.35Å; R229-E432 IonicContact NE-OE2 2.81Å; R229-E432 PolarHBondContact NE-OE2 3.13Å; R229-E432 IonicContact NH2-OE2 2.91Å; R229-E432 PolarHBondContact NH2-OE2 2.87Å; M230-E432 HydrophobicContact CB-CG 4.45Å; M230-E432 WeakPolarHBondContact CB-OE1 3.33Å; M230-E432 PolarHBondContact N-OE1 3.17Å; Y231-E432 HydrophobicContact CD2-CB 4.37Å; Y231-E432 HydrophobicContact CD2-CG 3.81Å; Y231-E432 HydrophobicContact CE2-CG 4.39Å; D428-E432 WeakPolarHBondContact O-CB 3.15Å; D428-E432 PolarHBondContact O-N 2.8Å; L429-E432 PolarHBondContact O-N 2.79Å; L430-E432 PolarHBondContact O-N 2.62Å
433	L	90.7	Very high	92.8	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.063	16%	0.156	C	C	.	.	H	α-helix	trans	-101	-23	-168.7	-69.6	176.8	0	0	0	115.4	K75 Y227 L371 A374 L429 L430	K75-L433 PolarHBondContact NZ-O 2.98Å; Y227-L433 HydrophobicContact CE1-CD1 4.39Å; Y227-L433 HydrophobicContact CE1-CD2 4.08Å; Y227-L433 HydrophobicContact CE1-CG 4.46Å; Y227-L433 HydrophobicContact CE2-CD2 3.82Å; Y227-L433 WeakPolarHBondContact OH-CD2 3.42Å; L371-L433 HydrophobicContact CB-CB 4.3Å; L371-L433 HydrophobicContact CD1-CB 4.09Å; L371-L433 HydrophobicContact CG-CB 4.11Å; A374-L433 HydrophobicContact CB-CD1 3.44Å; A374-L433 VanDerWaalsContact CB-CD1 3.44Å; L429-L433 HydrophobicContact CD1-CD1 3.57Å; L429-L433 HydrophobicContact CD1-CG 4.12Å; L429-L433 HydrophobicContact CG-CD1 3.91Å; L429-L433 WeakPolarHBondContact O-CB 3.46Å; L429-L433 WeakPolarHBondContact O-CG 3.18Å; L429-L433 PolarHBondContact O-N 3.43Å; L429-L433 VanDerWaalsContact O-N 3.12Å; L430-L433 PolarHBondContact O-N 3.35Å
434	L	92.1	Very high	92.8	Very high	14 Å²	14	30.6 Å²	30.6	7%	0.073	16%	0.156	C	C	.	.	S	Bend	trans	-61.1	154	178.4	-74.5	163.1	0	0	0	110.9	F357 V361 I363 L371 L413 L430	F357-L434 HydrophobicContact CD1-CD1 4.42Å; F357-L434 HydrophobicContact CE1-CD1 4.03Å; V361-L434 HydrophobicContact CB-CB 3.78Å; V361-L434 HydrophobicContact CB-CD1 4.09Å; V361-L434 HydrophobicContact CG1-CB 4.07Å; V361-L434 HydrophobicContact CG2-CB 4.42Å; V361-L434 HydrophobicContact CG2-CD1 3.78Å; I363-L434 HydrophobicContact CG2-CD1 4.37Å; L371-L434 HydrophobicContact CD1-CD2 3.64Å; L371-L434 HydrophobicContact CD1-CG 3.91Å; L413-L434 HydrophobicContact CD2-CD1 3.88Å; L413-L434 HydrophobicContact CD2-CD2 4.22Å; L430-L434 HydrophobicContact CB-CD1 4.22Å; L430-L434 WeakPolarHBondContact O-CB 3.44Å; L430-L434 WeakPolarHBondContact O-CD1 3.41Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 3.25Å
435	N	87.5	Confident	92.9	Very high	65 Å²	65	26.6 Å²	26.6	35%	0.348	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-68.5	141.8	174.4	-72.2	-37.7	0	0	0	109.6	K75 V361 D362	K75-N435 VanDerWaalsContact CD-OD1 3.24Å; K75-N435 WeakPolarHBondContact CD-OD1 3.2Å; K75-N435 WeakPolarHBondContact CE-OD1 3.44Å; K75-N435 PolarHBondContact NZ-OD1 3.34Å; V361-N435 CarbonylContact C-O 3.59Å; V361-N435 WeakPolarHBondContact CA-O 3.1Å; D362-N435 HydrophobicContact CB-CB 4.49Å; D362-N435 PolarHBondContact N-O 3.47Å
436	P	85.6	Confident	93.1	Very high	66 Å²	66	26.4 Å²	26.4	43%	0.429	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-57.4	143.3	170.1	-25	34.3	0	0	0	111.3	F360 K438	F360-P436 CarbonylContact O-C 3.54Å; F360-P436 WeakPolarHBondContact O-CA 3.13Å; P436-K438 PolarHBondContact O-N 3.28Å
437	L	87.8	Confident	93.2	Very high	25 Å²	25	23.2 Å²	23.2	13%	0.131	12%	0.119	C	C	.	.			trans	-70.5	112.5	178.2	-173.8	57.9	0	0	0	110.2	A310 F360 D362 L475	A310-L437 VanDerWaalsContact O-CD2 3.24Å; A310-L437 WeakPolarHBondContact O-CD2 3.09Å; F360-L437 PolarHBondContact O-N 2.89Å; D362-L437 HydrophobicContact CB-CD1 4.23Å; L437-L475 HydrophobicContact CD1-CD2 3.46Å; L437-L475 VanDerWaalsContact CD1-CD2 3.46Å
438	K	85	Confident	93.1	Very high	54 Å²	54	24.3 Å²	24.3	24%	0.235	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-85.1	139.6	-175	-60.2	170.3	-179.9	-147.7	0	111.6	T70 T72 P436 R440	T70-K438 WeakPolarHBondContact O-CD 3.17Å; T70-K438 WeakPolarHBondContact O-CE 3.46Å; T70-K438 WeakPolarHBondContact O-CG 3.34Å; T70-K438 PolarHBondContact O-NZ 2.87Å; T70-K438 VanDerWaalsContact O-NZ 3.11Å; T70-K438 PolarHBondContact OG1-NZ 3.45Å; T72-K438 PolarHBondContact OG1-NZ 2.87Å; P436-K438 PolarHBondContact O-N 3.28Å; K438-R440 WeakPolarHBondContact O-CD 3.25Å; K438-R440 PolarHBondContact O-NH1 3.37Å
439	P	88.3	Confident	93.1	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-62.8	148.9	165.8	27.3	-32.7	0	0	0	110.4	P261 Y262 A307 I308 F309	P261-P439 HydrophobicContact CG-CG 4.21Å; Y262-P439 HydrophobicContact CE2-CG 4.25Å; A307-P439 HydrophobicContact CB-CB 4.06Å; I308-P439 CarbonylContact O-C 3.54Å; I308-P439 VanDerWaalsContact O-CA 3.29Å; I308-P439 WeakPolarHBondContact O-CA 3.42Å; F309-P439 HydrophobicContact CD1-CB 3.84Å; F309-P439 HydrophobicContact CD1-CG 4.31Å; F309-P439 HydrophobicContact CD2-CB 4.22Å; F309-P439 HydrophobicContact CE1-CB 3.66Å; F309-P439 HydrophobicContact CE1-CG 3.73Å; F309-P439 HydrophobicContact CE2-CB 4.04Å; F309-P439 HydrophobicContact CG-CB 4.1Å; F309-P439 HydrophobicContact CZ-CB 3.74Å; F309-P439 HydrophobicContact CZ-CG 3.89Å
440	R	91.9	Very high	93.2	Very high	73 Å²	73	30 Å²	30	28%	0.275	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.7	172	-87.7	63.7	171.1	-178.8	-1.4	109.5	I308 D362 K438 Y442 A476	I308-R440 PolarHBondContact N-O 3.23Å; I308-R440 PolarHBondContact O-N 2.94Å; D362-R440 IonicContact OD2-NH2 3.4Å; K438-R440 WeakPolarHBondContact O-CD 3.25Å; K438-R440 PolarHBondContact O-NH1 3.37Å; R440-Y442 HydrophobicContact CB-CE2 4.01Å; R440-A476 HydrophobicContact CB-CB 3.64Å; R440-A476 HydrophobicContact CG-CB 3.6Å
441	L	92.8	Very high	93.2	Very high	68 Å²	68	32.4 Å²	32.4	36%	0.356	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.2	177.1	-70.1	172.1	0	0	0	110.4	Y262 H305 I306 A307 H499	Y262-L441 WeakPolarHBondContact OH-CD2 3.45Å; H305-L441 HydrophobicContact CB-CD2 4.01Å; I306-L441 WeakPolarHBondContact O-CA 3.26Å; A307-L441 HydrophobicContact CB-CD2 3.8Å; L441-H499 HydrophobicContact CD2-CB 3.74Å
442	Y	95.5	Very high	93.1	Very high	27 Å²	27	36.5 Å²	36.5	11%	0.106	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.7	169.5	-62.1	-89.8	0	0	0	109	H305 I306 I308 R440 I444 I457 A459 A476 T477 L480	H305-Y442 CarbonylContact C-O 3.55Å; H305-Y442 VanDerWaalsContact CA-O 3.32Å; H305-Y442 WeakPolarHBondContact CA-O 3.21Å; I306-Y442 PolarHBondContact N-O 3.22Å; I306-Y442 PolarHBondContact O-N 2.91Å; I308-Y442 HydrophobicContact CB-CD2 4.32Å; I308-Y442 HydrophobicContact CB-CE2 4.01Å; I308-Y442 HydrophobicContact CG1-CD2 3.65Å; I308-Y442 HydrophobicContact CG1-CE2 3.74Å; R440-Y442 HydrophobicContact CB-CE2 4.01Å; Y442-I444 PolarHBondContact O-N 3.43Å; Y442-I457 HydrophobicContact CD1-CG2 3.86Å; Y442-I457 HydrophobicContact CD2-CG2 4.43Å; Y442-I457 HydrophobicContact CG-CG2 3.8Å; Y442-A459 HydrophobicContact CD1-CB 4.03Å; Y442-A459 HydrophobicContact CE1-CB 3.65Å; Y442-A476 WeakPolarHBondContact OH-CB 3.33Å; Y442-T477 HydrophobicContact CE1-CG2 4.35Å; Y442-T477 WeakPolarHBondContact OH-CG2 3.46Å; Y442-L480 HydrophobicContact CE1-CD1 4.3Å; Y442-L480 HydrophobicContact CE2-CD1 3.74Å; Y442-L480 WeakPolarHBondContact OH-CD1 3.5Å
443	S	96.7	Very high	93.1	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.8	172.1	-44.8	0	0	0	0	109.2	S445 D662 W664	S443-S445 PolarHBondContact O-N 2.86Å; S443-D662 WeakPolarHBondContact CB-OD2 3.09Å; S443-D662 PolarHBondContact OG-OD2 3.12Å; S443-W664 WeakPolarHBondContact OG-CZ3 2.96Å
444	I	97.9	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-67.8	126.1	-177.7	-65.2	171.3	0	0	0	109	Y300 D304 I306 Y442 S446 I455 I498	Y300-I444 HydrophobicContact CD2-CD1 3.64Å; Y300-I444 HydrophobicContact CD2-CG2 3.95Å; Y300-I444 HydrophobicContact CE2-CD1 4.35Å; Y300-I444 HydrophobicContact CE2-CG2 3.55Å; Y300-I444 HydrophobicContact CG-CD1 4Å; D304-I444 HydrophobicContact CB-CD1 4.1Å; D304-I444 WeakPolarHBondContact O-CB 3.37Å; D304-I444 VanDerWaalsContact O-CG1 3.32Å; D304-I444 WeakPolarHBondContact O-CG1 3.32Å; D304-I444 PolarHBondContact O-N 3.35Å; I306-I444 HydrophobicContact CB-CD1 4.25Å; I306-I444 HydrophobicContact CB-CG1 3.99Å; I306-I444 HydrophobicContact CG2-CG1 4.01Å; Y442-I444 PolarHBondContact O-N 3.43Å; I444-S446 WeakPolarHBondContact CG2-OG 3.46Å; I444-I455 HydrophobicContact CB-CG2 4.41Å; I444-I455 HydrophobicContact CD1-CG2 3.93Å; I444-I455 HydrophobicContact CG1-CG2 3.8Å; I444-I455 HydrophobicContact CG2-CG2 3.81Å; I444-I498 HydrophobicContact CD1-CD1 4.1Å
445	S	98.3	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.			trans	-98.9	15.7	-175.5	65	0	0	0	0	115	S443 H456 T458 A523 R526	S443-S445 PolarHBondContact O-N 2.86Å; S445-H456 PolarHBondContact N-O 3.01Å; S445-H456 WeakPolarHBondContact OG-CB 3.5Å; S445-H456 PolarHBondContact OG-O 3.4Å; S445-T458 VanDerWaalsContact CB-OG1 3.26Å; S445-T458 WeakPolarHBondContact CB-OG1 3.42Å; S445-T458 PolarHBondContact OG-OG1 2.82Å; S445-A523 VanDerWaalsContact CA-O 3.22Å; S445-A523 WeakPolarHBondContact CA-O 3.49Å; S445-A523 WeakPolarHBondContact CB-O 3.42Å; S445-R526 WeakPolarHBondContact O-CD 3.32Å; S445-R526 PolarHBondContact O-NH1 2.77Å
446	S	98.3	Very high	94.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-122.3	148.1	173.7	49.5	0	0	0	0	112.3	Y300 I444 H456 A527	Y300-S446 WeakPolarHBondContact CE2-O 3.34Å; Y300-S446 PolarHBondContact OH-OG 2.9Å; I444-S446 WeakPolarHBondContact CG2-OG 3.46Å; S446-H456 VanDerWaalsContact CB-CD2 3.5Å; S446-H456 WeakPolarHBondContact CB-CD2 3.49Å; S446-H456 VanDerWaalsContact CB-CG 3.44Å; S446-H456 PolarHBondContact OG-N 3.49Å; S446-A527 VanDerWaalsContact O-CB 3.3Å; S446-A527 WeakPolarHBondContact O-CB 3.39Å
447	S	97.9	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.			trans	-77.1	134.5	167.6	172.1	0	0	0	0	111.3	Y300 T302 L449 V450 H451 A527 E531	Y300-S447 PolarHBondContact OH-O 2.95Å; T302-S447 WeakPolarHBondContact OG1-CA 3.47Å; T302-S447 PolarHBondContact OG1-OG 3.46Å; S447-L449 PolarHBondContact O-N 3.38Å; S447-L449 PolarHBondContact OG-N 2.93Å; S447-V450 PolarHBondContact O-N 3.48Å; S447-V450 VanDerWaalsContact O-N 3.14Å; S447-H451 PolarHBondContact O-N 3.37Å; S447-A527 WeakPolarHBondContact CB-O 3.35Å; S447-E531 WeakPolarHBondContact OG-CA 3.43Å; S447-E531 WeakPolarHBondContact OG-CB 3.4Å; S447-E531 PolarHBondContact OG-OE2 3.2Å
448	S	95.6	Very high	95.2	Very high	27 Å²	27	35.2 Å²	35.2	19%	0.189	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18	171.5	54.8	0	0	0	0	113.6	Y300 T302	Y300-S448 VanDerWaalsContact O-CB 3.23Å; Y300-S448 WeakPolarHBondContact O-CB 3.28Å; Y300-S448 WeakPolarHBondContact OH-CA 3.5Å; Y300-S448 PolarHBondContact OH-N 3.45Å; T302-S448 PolarHBondContact N-OG 2.6Å; T302-S448 PolarHBondContact OG1-N 2.93Å; T302-S448 VanDerWaalsContact OG1-N 3.09Å; T302-S448 PolarHBondContact OG1-OG 3.32Å
449	L	95.2	Very high	95.7	Very high	89 Å²	89	32.8 Å²	32.8	47%	0.466	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.4	175.6	-62.5	-172.9	0	0	0	113.3	S447 E531 K534 V535	S447-L449 PolarHBondContact O-N 3.38Å; S447-L449 PolarHBondContact OG-N 2.93Å; L449-E531 HydrophobicContact CD1-CG 3.85Å; L449-E531 HydrophobicContact CG-CG 4.4Å; L449-K534 HydrophobicContact CB-CG 4.37Å; L449-V535 HydrophobicContact CD1-CG2 3.8Å
450	V	97	Very high	96	Very high	62 Å²	62	33.7 Å²	33.7	38%	0.376	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-41	179.7	-178.4	0	0	0	0	110.5	S447 Q530 K534	S447-V450 PolarHBondContact O-N 3.48Å; S447-V450 VanDerWaalsContact O-N 3.14Å; V450-Q530 HydrophobicContact CG2-CB 4.07Å; V450-K534 HydrophobicContact CG2-CB 3.74Å; V450-K534 HydrophobicContact CG2-CG 4.05Å
451	H	96.4	Very high	96.2	Very high	49 Å²	49	30.9 Å²	30.9	23%	0.227	17%	0.167	C	C	.	.			trans	-122.5	84.6	-176.8	-62.9	-78.4	0	0	0	110	Y300 S447 R454 H456	Y300-H451 PolarHBondContact OH-O 2.85Å; S447-H451 PolarHBondContact O-N 3.37Å; H451-R454 HydrophobicContact CB-CB 4.2Å; H451-R454 WeakPolarHBondContact CB-O 3.32Å; H451-R454 VanDerWaalsContact O-O 3.13Å; H451-H456 AromaticContact CD2-CE1 3.81Å; H451-H456 AromaticContact CD2-NE2 3.83Å; H451-H456 AromaticContact CE1-CE1 3.52Å; H451-H456 AromaticContact CE1-NE2 3.7Å; H451-H456 AromaticContact CG-CE1 3.92Å; H451-H456 AromaticContact CG-NE2 3.51Å; H451-H456 AromaticContact ND1-CE1 3.75Å; H451-H456 AromaticContact ND1-NE2 3.43Å; H451-H456 PolarHBondContact ND1-NE2 2.84Å; H451-H456 AromaticContact NE2-CE1 3.56Å; H451-H456 AromaticContact NE2-NE2 3.95Å
452	T	92.2	Very high	96.3	Very high	90 Å²	90	30.6 Å²	30.6	55%	0.552	17%	0.168	S	C	*	.	S	Bend	trans	-72.3	-33.6	-178.5	59.5	0	0	0	0	112.8
453	N	93.3	Very high	96.2	Very high	87 Å²	87	35.2 Å²	35.2	47%	0.465	19%	0.188	S	C	.	.	S	Bend	trans	-112.9	5.7	-172.3	-60.7	-12	0	0	0	113.1	V293	V293-N453 PolarHBondContact N-O 3.45Å
454	R	95.1	Very high	96	Very high	78 Å²	78	39.2 Å²	39.2	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.6	179	-71.2	-68.2	-154.6	-109.9	6	109	A273 E290 L291 D292 Y300 H451	A273-R454 VanDerWaalsContact CB-NH2 3.3Å; E290-R454 IonicContact OE2-NE 3.44Å; L291-R454 VanDerWaalsContact O-CA 3.31Å; L291-R454 WeakPolarHBondContact O-CA 3.35Å; D292-R454 VanDerWaalsContact CB-NH1 3.28Å; D292-R454 IonicContact OD1-NH1 3.13Å; D292-R454 PolarHBondContact OD1-NH1 2.89Å; D292-R454 IonicContact OD2-CZ 3.6Å; D292-R454 IonicContact OD2-NH1 3.38Å; D292-R454 PolarHBondContact OD2-NH1 2.82Å; Y300-R454 PolarHBondContact OH-O 2.7Å; H451-R454 HydrophobicContact CB-CB 4.2Å; H451-R454 WeakPolarHBondContact CB-O 3.32Å; H451-R454 VanDerWaalsContact O-O 3.13Å
455	I	97	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.7	173.1	-60.1	-176.7	0	0	0	108.5	L291 V293 L298 Y300 I306 I444 I498	L291-I455 PolarHBondContact N-O 2.91Å; L291-I455 PolarHBondContact O-N 3.19Å; V293-I455 HydrophobicContact CG1-CD1 4.01Å; V293-I455 HydrophobicContact CG1-CG1 4.25Å; V293-I455 HydrophobicContact CG2-CD1 4.18Å; V293-I455 HydrophobicContact CG2-CG1 3.99Å; L298-I455 HydrophobicContact CD2-CD1 4.16Å; Y300-I455 HydrophobicContact CD1-CD1 3.91Å; Y300-I455 HydrophobicContact CD1-CG1 3.9Å; Y300-I455 HydrophobicContact CE1-CD1 4.3Å; Y300-I455 HydrophobicContact CE1-CG1 3.77Å; Y300-I455 HydrophobicContact CG-CD1 4.4Å; I306-I455 HydrophobicContact CB-CG2 4.35Å; I306-I455 HydrophobicContact CD1-CB 4.28Å; I306-I455 HydrophobicContact CD1-CD1 4.19Å; I306-I455 HydrophobicContact CD1-CG2 3.73Å; I306-I455 HydrophobicContact CG2-CG2 4.37Å; I444-I455 HydrophobicContact CB-CG2 4.41Å; I444-I455 HydrophobicContact CD1-CG2 3.93Å; I444-I455 HydrophobicContact CG1-CG2 3.8Å; I444-I455 HydrophobicContact CG2-CG2 3.81Å; I455-I498 HydrophobicContact CD1-CD1 3.68Å
456	H	98.1	Very high	95.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.9	-174.2	-62.5	-154.7	0	0	0	110.4	H288 I289 E290 S445 S446 H451 R526	H288-H456 AromaticContact CE1-CG 3.76Å; H288-H456 AromaticContact CE1-ND1 3.35Å; H288-H456 PolarHBondContact CE1-ND1 2.88Å; H288-H456 VanDerWaalsContact CE1-ND1 3.35Å; H288-H456 AromaticContact NE2-ND1 3.86Å; I289-H456 CarbonylContact O-C 3.54Å; I289-H456 WeakPolarHBondContact O-CA 3.22Å; E290-H456 IonicContact OE1-CE1 2.81Å; E290-H456 PolarHBondContact OE1-CE1 2.85Å; E290-H456 VanDerWaalsContact OE1-CE1 3.3Å; E290-H456 IonicContact OE1-ND1 3.96Å; E290-H456 IonicContact OE1-NE2 3.13Å; S445-H456 PolarHBondContact N-O 3.01Å; S445-H456 WeakPolarHBondContact OG-CB 3.5Å; S445-H456 PolarHBondContact OG-O 3.4Å; S446-H456 VanDerWaalsContact CB-CD2 3.5Å; S446-H456 WeakPolarHBondContact CB-CD2 3.49Å; S446-H456 VanDerWaalsContact CB-CG 3.44Å; S446-H456 PolarHBondContact OG-N 3.49Å; H451-H456 AromaticContact CD2-CE1 3.81Å; H451-H456 AromaticContact CD2-NE2 3.83Å; H451-H456 AromaticContact CE1-CE1 3.52Å; H451-H456 AromaticContact CE1-NE2 3.7Å; H451-H456 AromaticContact CG-CE1 3.92Å; H451-H456 AromaticContact CG-NE2 3.51Å; H451-H456 AromaticContact ND1-CE1 3.75Å; H451-H456 AromaticContact ND1-NE2 3.43Å; H451-H456 PolarHBondContact ND1-NE2 2.84Å; H451-H456 AromaticContact NE2-CE1 3.56Å; H451-H456 AromaticContact NE2-NE2 3.95Å; H456-R526 PolarHBondContact ND1-NH1 2.81Å; H456-R526 VanDerWaalsContact ND1-NH1 3.16Å
457	I	97.9	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.3	176.5	-63	170.1	0	0	0	108.4	H288 I289 L291 I306 I308 Y442 A459	H288-I457 WeakPolarHBondContact CA-O 3.34Å; I289-I457 HydrophobicContact CB-CB 4.26Å; I289-I457 PolarHBondContact N-O 2.95Å; I289-I457 PolarHBondContact O-N 3.43Å; L291-I457 HydrophobicContact CD1-CD1 3.75Å; L291-I457 HydrophobicContact CG-CD1 4.32Å; I306-I457 HydrophobicContact CG2-CD1 3.71Å; I306-I457 HydrophobicContact CG2-CG1 3.66Å; I308-I457 HydrophobicContact CD1-CD1 3.82Å; I308-I457 HydrophobicContact CG1-CD1 4.07Å; Y442-I457 HydrophobicContact CD1-CG2 3.86Å; Y442-I457 HydrophobicContact CD2-CG2 4.43Å; Y442-I457 HydrophobicContact CG-CG2 3.8Å; I457-A459 HydrophobicContact CG2-CB 4.09Å
458	T	97.9	Very high	94.5	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	105.6	172.3	-54.4	0	0	0	0	108.6	L278 R287 S445 T520 I560 Y561	L278-T458 HydrophobicContact CD1-CG2 3.88Å; R287-T458 WeakPolarHBondContact O-CA 3.27Å; S445-T458 VanDerWaalsContact CB-OG1 3.26Å; S445-T458 WeakPolarHBondContact CB-OG1 3.42Å; S445-T458 PolarHBondContact OG-OG1 2.82Å; T458-T520 HydrophobicContact CG2-CG2 4.39Å; T458-I560 HydrophobicContact CG2-CD1 3.92Å; T458-Y561 HydrophobicContact CG2-CE2 3.81Å; T458-Y561 PolarHBondContact OG1-OH 2.74Å
459	A	96.1	Very high	94.3	Very high	3 Å²	3	57.4 Å²	57.4	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.5	-169.5	0	0	0	0	0	112.6	C286 R287 Y442 I457	C286-A459 CarbonylContact C-O 3.6Å; C286-A459 WeakPolarHBondContact CA-O 3.34Å; R287-A459 PolarHBondContact N-O 2.96Å; R287-A459 PolarHBondContact O-N 3.37Å; Y442-A459 HydrophobicContact CD1-CB 4.03Å; Y442-A459 HydrophobicContact CE1-CB 3.65Å; I457-A459 HydrophobicContact CG2-CB 4.09Å
460	S	95.3	Very high	94.1	Very high	38 Å²	38	55.8 Å²	55.8	27%	0.266	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.3	170.7	-165.6	0	0	0	0	109.4	V462 T477	S460-V462 PolarHBondContact O-N 2.78Å; S460-T477 WeakPolarHBondContact O-CG2 3.29Å
461	I	95.8	Very high	93.8	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.077	30%	0.298	C	S	.	.			trans	-80.7	114.5	-176.2	-54.9	-53.8	0	0	0	110	S285 R287 K463 T477 K481	S285-I461 PolarHBondContact O-N 3.4Å; S285-I461 WeakPolarHBondContact OG-CG1 3.48Å; R287-I461 HydrophobicContact CG-CD1 3.66Å; R287-I461 HydrophobicContact CG-CG1 3.89Å; I461-K463 PolarHBondContact O-N 3.44Å; I461-T477 VanDerWaalsContact CD1-O 3.27Å; I461-T477 WeakPolarHBondContact CD1-O 3.28Å; I461-K481 HydrophobicContact CD1-CB 3.93Å; I461-K481 HydrophobicContact CG1-CB 4.42Å; I461-K481 HydrophobicContact CG1-CD 4.15Å; I461-K481 HydrophobicContact CG2-CD 4.05Å
462	V	94.2	Very high	93.7	Very high	62 Å²	62	57.6 Å²	57.6	38%	0.376	30%	0.297	S	S	.	.			trans	-76.6	105.2	177.9	-178.1	0	0	0	0	109.4	S460 Y464 F472 G474 T477 N478	S460-V462 PolarHBondContact O-N 2.78Å; V462-Y464 HydrophobicContact CG1-CD1 4.34Å; V462-Y464 HydrophobicContact CG1-CE1 3.96Å; V462-F472 HydrophobicContact CG1-CD1 4.27Å; V462-F472 HydrophobicContact CG1-CE1 3.96Å; V462-G474 PolarHBondContact O-N 3.28Å; V462-T477 HydrophobicContact CG2-CG2 4.4Å; V462-T477 PolarHBondContact N-OG1 3.17Å; V462-N478 PolarHBondContact O-ND2 3.29Å
463	K	94.3	Very high	93.8	Very high	124 Å²	124	58.9 Å²	58.9	54%	0.539	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	125.2	173.3	-178.3	-175.1	176.4	-172.9	0	109.6	I461 I471 F472 K473	I461-K463 PolarHBondContact O-N 3.44Å; K463-I471 HydrophobicContact CD-CG2 4.43Å; K463-I471 HydrophobicContact CG-CG2 4Å; K463-F472 VanDerWaalsContact CA-O 3.32Å; K463-F472 WeakPolarHBondContact CA-O 3.47Å; K463-K473 HydrophobicContact CG-CG 4.4Å
464	Y	91.9	Very high	93.8	Very high	91 Å²	91	55.3 Å²	55.3	36%	0.357	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166.2	175.6	55.5	-90.9	0	0	0	111.1	H410 V462 T466 F472	H410-Y464 AromaticContact CD2-CE2 3.77Å; H410-Y464 AromaticContact CD2-CZ 3.85Å; H410-Y464 PolarHBondContact CD2-OH 3.34Å; H410-Y464 PolarHBondContact CE1-OH 2.65Å; H410-Y464 VanDerWaalsContact CE1-OH 3.25Å; H410-Y464 AromaticContact NE2-CZ 3.85Å; H410-Y464 PolarHBondContact NE2-OH 3.27Å; V462-Y464 HydrophobicContact CG1-CD1 4.34Å; V462-Y464 HydrophobicContact CG1-CE1 3.96Å; Y464-T466 HydrophobicContact CE2-CG2 4.37Å; Y464-F472 HydrophobicContact CD1-CD1 4.22Å; Y464-F472 HydrophobicContact CD2-CB 4.39Å; Y464-F472 HydrophobicContact CE1-CB 4.49Å; Y464-F472 AromaticContact CE1-CD1 3.41Å; Y464-F472 HydrophobicContact CE1-CD1 3.41Å; Y464-F472 VanDerWaalsContact CE1-CD1 3.41Å; Y464-F472 HydrophobicContact CE1-CE1 4.04Å; Y464-F472 HydrophobicContact CE1-CG 4.32Å; Y464-F472 HydrophobicContact CE2-CB 4Å; Y464-F472 HydrophobicContact CE2-CD1 4.22Å; Y464-F472 HydrophobicContact CE2-CG 4.38Å; Y464-F472 AromaticContact CZ-CD1 3.39Å; Y464-F472 AromaticContact CZ-CG 3.94Å; Y464-F472 PolarHBondContact N-O 3.12Å; Y464-F472 PolarHBondContact O-N 2.73Å; Y464-F472 VanDerWaalsContact OH-CD1 3.27Å; Y464-F472 WeakPolarHBondContact OH-CD1 3.43Å
465	K	93.5	Very high	93.8	Very high	156 Å²	156	52.2 Å²	52.2	68%	0.678	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.2	175.1	-171.1	174	178.8	178.3	0	108.6	G469 R470	K465-G469 WeakPolarHBondContact CE-O 3.45Å; K465-R470 CarbonylContact C-O 3.48Å; K465-R470 VanDerWaalsContact CA-O 3.23Å; K465-R470 WeakPolarHBondContact CA-O 3.44Å
466	T	91.2	Very high	93.7	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	27%	0.269	C	S	.	.			trans	-76.6	172	177	71.2	0	0	0	0	110.8	D409 Y464 S468 G469 R470 F472	D409-T466 WeakPolarHBondContact OD1-CB 3.35Å; D409-T466 PolarHBondContact OD1-OG1 3.43Å; Y464-T466 HydrophobicContact CE2-CG2 4.37Å; T466-S468 PolarHBondContact O-N 2.83Å; T466-S468 PolarHBondContact OG1-OG 3.35Å; T466-G469 WeakPolarHBondContact O-CA 3.45Å; T466-G469 PolarHBondContact O-N 2.83Å; T466-R470 HydrophobicContact CG2-CB 4.4Å; T466-R470 PolarHBondContact N-O 3.14Å; T466-R470 PolarHBondContact OG1-N 3.32Å; T466-F472 HydrophobicContact CG2-CB 3.98Å
467	N	88.3	Confident	93.5	Very high	149 Å²	149	53 Å²	53	80%	0.797	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30	179.1	-70.2	-21.4	0	0	0	112.6	G469	N467-G469 PolarHBondContact O-N 3.24Å
468	S	88.3	Confident	93.4	Very high	63 Å²	63	54.4 Å²	54.4	44%	0.441	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.9	172.3	83.4	0	0	0	0	113.8	D409 T466 R470	D409-S468 WeakPolarHBondContact OD1-CB 3.48Å; D409-S468 PolarHBondContact OD1-N 3.37Å; D409-S468 PolarHBondContact OD1-OG 2.83Å; D409-S468 WeakPolarHBondContact OD2-CB 3.4Å; D409-S468 PolarHBondContact OD2-OG 3.38Å; T466-S468 PolarHBondContact O-N 2.83Å; T466-S468 PolarHBondContact OG1-OG 3.35Å; S468-R470 PolarHBondContact OG-N 2.86Å; S468-R470 PolarHBondContact OG-NE 2.78Å; S468-R470 PolarHBondContact OG-NH1 3.29Å
469	G	91.5	Very high	93.2	Very high	30 Å²	30	56.2 Å²	56.2	31%	0.309	29%	0.287	S	S	.	.	S	Bend	trans	89	3.4	-175.8	0	0	0	0	0	116.5	K465 T466 N467	K465-G469 WeakPolarHBondContact CE-O 3.45Å; T466-G469 WeakPolarHBondContact O-CA 3.45Å; T466-G469 PolarHBondContact O-N 2.83Å; N467-G469 PolarHBondContact O-N 3.24Å
470	R	90.1	Very high	93.1	Very high	56 Å²	56	56.1 Å²	56.1	21%	0.211	29%	0.285	C	S	.	.			trans	-67	155.4	172.3	-83.3	-178	-76.5	-103.5	101.5	111.4	D409 R411 D415 D419 K465 T466 S468	D409-R470 IonicContact OD2-CZ 2.69Å; D409-R470 IonicContact OD2-NE 2.67Å; D409-R470 PolarHBondContact OD2-NE 2.7Å; D409-R470 VanDerWaalsContact OD2-NE 3.13Å; D409-R470 IonicContact OD2-NH1 3.17Å; D409-R470 PolarHBondContact OD2-NH1 3Å; D409-R470 IonicContact OD2-NH2 2.9Å; R411-R470 VanDerWaalsContact CG-NH2 3.33Å; R411-R470 VanDerWaalsContact CZ-NH1 3.34Å; R411-R470 VanDerWaalsContact NH2-NH2 3.11Å; D415-R470 WeakPolarHBondContact OD1-CD 3Å; D419-R470 IonicContact OD2-NH2 2.68Å; D419-R470 PolarHBondContact OD2-NH2 3.07Å; K465-R470 CarbonylContact C-O 3.48Å; K465-R470 VanDerWaalsContact CA-O 3.23Å; K465-R470 WeakPolarHBondContact CA-O 3.44Å; T466-R470 HydrophobicContact CG2-CB 4.4Å; T466-R470 PolarHBondContact N-O 3.14Å; T466-R470 PolarHBondContact OG1-N 3.32Å; S468-R470 PolarHBondContact OG-N 2.86Å; S468-R470 PolarHBondContact OG-NE 2.78Å; S468-R470 PolarHBondContact OG-NH1 3.29Å
471	I	92.5	Very high	93.1	Very high	104 Å²	104	58.5 Å²	58.5	53%	0.533	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	104	173.5	-59.2	177.8	0	0	0	108.4	K463 K473	K463-I471 HydrophobicContact CD-CG2 4.43Å; K463-I471 HydrophobicContact CG-CG2 4Å; I471-K473 HydrophobicContact CG2-CG 4.38Å
472	F	92.7	Very high	92.8	Very high	45 Å²	45	61.6 Å²	61.6	20%	0.197	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.2	170.7	-179.6	-100.2	0	0	0	110.6	H410 V462 K463 Y464 T466	H410-F472 HydrophobicContact CB-CB 4.44Å; H410-F472 HydrophobicContact CB-CD2 3.41Å; H410-F472 VanDerWaalsContact CB-CD2 3.41Å; H410-F472 HydrophobicContact CB-CE2 3.78Å; H410-F472 HydrophobicContact CB-CG 4Å; V462-F472 HydrophobicContact CG1-CD1 4.27Å; V462-F472 HydrophobicContact CG1-CE1 3.96Å; K463-F472 VanDerWaalsContact CA-O 3.32Å; K463-F472 WeakPolarHBondContact CA-O 3.47Å; Y464-F472 HydrophobicContact CD1-CD1 4.22Å; Y464-F472 HydrophobicContact CD2-CB 4.39Å; Y464-F472 HydrophobicContact CE1-CB 4.49Å; Y464-F472 AromaticContact CE1-CD1 3.41Å; Y464-F472 HydrophobicContact CE1-CD1 3.41Å; Y464-F472 VanDerWaalsContact CE1-CD1 3.41Å; Y464-F472 HydrophobicContact CE1-CE1 4.04Å; Y464-F472 HydrophobicContact CE1-CG 4.32Å; Y464-F472 HydrophobicContact CE2-CB 4Å; Y464-F472 HydrophobicContact CE2-CD1 4.22Å; Y464-F472 HydrophobicContact CE2-CG 4.38Å; Y464-F472 AromaticContact CZ-CD1 3.39Å; Y464-F472 AromaticContact CZ-CG 3.94Å; Y464-F472 PolarHBondContact N-O 3.12Å; Y464-F472 PolarHBondContact O-N 2.73Å; Y464-F472 VanDerWaalsContact OH-CD1 3.27Å; Y464-F472 WeakPolarHBondContact OH-CD1 3.43Å; T466-F472 HydrophobicContact CG2-CB 3.98Å
473	K	94.2	Very high	92.6	Very high	117 Å²	117	59.5 Å²	59.5	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.4	176	-68.6	179.2	-171.8	170	0	108.9	K463 I471 L475 N478	K463-K473 HydrophobicContact CG-CG 4.4Å; I471-K473 HydrophobicContact CG2-CG 4.38Å; K473-L475 PolarHBondContact O-N 2.98Å; K473-N478 HydrophobicContact CB-CB 4.41Å
474	G	93.7	Very high	91.7	Very high	12 Å²	12	60.3 Å²	60.3	12%	0.124	31%	0.306	C	S	.	.			trans	-64.4	128.5	171.4	0	0	0	0	0	110.6	V462 T477 N478	V462-G474 PolarHBondContact O-N 3.28Å; G474-T477 PolarHBondContact O-OG1 3.39Å; G474-N478 PolarHBondContact N-ND2 3.15Å; G474-N478 WeakPolarHBondContact O-CB 3.35Å; G474-N478 PolarHBondContact O-N 3.45Å; G474-N478 VanDerWaalsContact O-N 3.13Å; G474-N478 PolarHBondContact O-ND2 3.47Å
475	L	94.9	Very high	90.6	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-53.3	-65.8	-171.3	175.5	60.3	0	0	0	113	A310 S311 N312 P313 T364 L437 K473 T477 N478 W479	A310-L475 HydrophobicContact CB-CG 4.47Å; S311-L475 WeakPolarHBondContact O-CD1 3.35Å; N312-L475 WeakPolarHBondContact OD1-CD2 3.34Å; P313-L475 HydrophobicContact CG-CD1 4.44Å; T364-L475 HydrophobicContact CG2-CD1 4.3Å; L437-L475 HydrophobicContact CD1-CD2 3.46Å; L437-L475 VanDerWaalsContact CD1-CD2 3.46Å; K473-L475 PolarHBondContact O-N 2.98Å; L475-T477 PolarHBondContact O-N 3.47Å; L475-N478 PolarHBondContact O-N 2.96Å; L475-W479 VanDerWaalsContact O-CB 3.32Å; L475-W479 WeakPolarHBondContact O-CB 3.4Å; L475-W479 PolarHBondContact O-N 2.95Å
476	A	94.5	Very high	88.7	Confident	4 Å²	4	53 Å²	53	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-39.9	-170.9	0	0	0	0	0	113	A310 R440 Y442 W479 L480	A310-A476 HydrophobicContact CB-CB 3.87Å; R440-A476 HydrophobicContact CB-CB 3.64Å; R440-A476 HydrophobicContact CG-CB 3.6Å; Y442-A476 WeakPolarHBondContact OH-CB 3.33Å; A476-W479 PolarHBondContact O-N 2.94Å; A476-L480 WeakPolarHBondContact O-CB 3.49Å; A476-L480 VanDerWaalsContact O-CG 3.29Å; A476-L480 WeakPolarHBondContact O-CG 3.47Å; A476-L480 PolarHBondContact O-N 2.84Å
477	T	95.5	Very high	86.8	Confident	13 Å²	13	60.6 Å²	60.6	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-69.9	-40.3	-178.3	57.7	0	0	0	0	111.8	Y442 S460 I461 V462 G474 L475 L480 K481	Y442-T477 HydrophobicContact CE1-CG2 4.35Å; Y442-T477 WeakPolarHBondContact OH-CG2 3.46Å; S460-T477 WeakPolarHBondContact O-CG2 3.29Å; I461-T477 VanDerWaalsContact CD1-O 3.27Å; I461-T477 WeakPolarHBondContact CD1-O 3.28Å; V462-T477 HydrophobicContact CG2-CG2 4.4Å; V462-T477 PolarHBondContact N-OG1 3.17Å; G474-T477 PolarHBondContact O-OG1 3.39Å; L475-T477 PolarHBondContact O-N 3.47Å; T477-L480 PolarHBondContact O-N 3.36Å; T477-K481 WeakPolarHBondContact O-CB 3.38Å; T477-K481 PolarHBondContact O-N 3.01Å
478	N	95.6	Very high	84.8	Confident	30 Å²	30	58.1 Å²	58.1	16%	0.16	32%	0.317	C	S	.	.	H	α-helix	trans	-73.3	-34.7	177.8	-74.3	-92.8	0	0	0	111.6	V462 K473 G474 L475 K481 S482	V462-N478 PolarHBondContact O-ND2 3.29Å; K473-N478 HydrophobicContact CB-CB 4.41Å; G474-N478 PolarHBondContact N-ND2 3.15Å; G474-N478 WeakPolarHBondContact O-CB 3.35Å; G474-N478 PolarHBondContact O-N 3.45Å; G474-N478 VanDerWaalsContact O-N 3.13Å; G474-N478 PolarHBondContact O-ND2 3.47Å; L475-N478 PolarHBondContact O-N 2.96Å; N478-K481 PolarHBondContact O-N 2.93Å; N478-S482 PolarHBondContact O-N 3.48Å
479	W	94.2	Very high	82.6	Confident	45 Å²	45	64.2 Å²	64.2	17%	0.17	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-52.3	170.1	-177	78.4	0	0	0	110.9	I308 A310 L475 A476 K481 S482 L483 I494	I308-W479 HydrophobicContact CG2-CE3 4.15Å; I308-W479 HydrophobicContact CG2-CZ3 3.57Å; A310-W479 HydrophobicContact CB-CB 4.09Å; A310-W479 HydrophobicContact CB-CD2 3.81Å; A310-W479 HydrophobicContact CB-CE3 3.62Å; A310-W479 HydrophobicContact CB-CG 4.04Å; A310-W479 HydrophobicContact CB-CZ3 4.22Å; L475-W479 VanDerWaalsContact O-CB 3.32Å; L475-W479 WeakPolarHBondContact O-CB 3.4Å; L475-W479 PolarHBondContact O-N 2.95Å; A476-W479 PolarHBondContact O-N 2.94Å; W479-K481 VanDerWaalsContact C-N 3.32Å; W479-K481 PolarHBondContact O-N 2.86Å; W479-S482 WeakPolarHBondContact O-CB 3.46Å; W479-S482 PolarHBondContact O-N 3.44Å; W479-S482 PolarHBondContact O-OG 2.95Å; W479-L483 HydrophobicContact CE3-CD1 4.2Å; W479-L483 HydrophobicContact CH2-CD1 4.38Å; W479-L483 HydrophobicContact CZ2-CD2 4.33Å; W479-L483 HydrophobicContact CZ3-CD1 4.07Å; W479-L483 WeakPolarHBondContact O-CG 3.36Å; W479-L483 PolarHBondContact O-N 2.94Å; W479-I494 HydrophobicContact CH2-CB 3.62Å; W479-I494 HydrophobicContact CH2-CG2 3.27Å; W479-I494 HydrophobicContact CZ2-CG2 3.87Å; W479-I494 HydrophobicContact CZ3-CB 4.23Å; W479-I494 HydrophobicContact CZ3-CD1 4.4Å; W479-I494 HydrophobicContact CZ3-CG2 3.96Å
480	L	93.7	Very high	80.5	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-56.5	-41.8	174.8	-77.9	176.5	0	0	0	113	N275 I289 I308 Y442 A476 T477 S482 L483 I494	N275-L480 PolarHBondContact ND2-O 3.38Å; I289-L480 HydrophobicContact CD1-CB 3.7Å; I289-L480 HydrophobicContact CD1-CD1 4.16Å; I289-L480 HydrophobicContact CD1-CD2 4.07Å; I289-L480 HydrophobicContact CD1-CG 4.2Å; I308-L480 HydrophobicContact CG2-CD2 4.13Å; I308-L480 HydrophobicContact CG2-CG 4.45Å; Y442-L480 HydrophobicContact CE1-CD1 4.3Å; Y442-L480 HydrophobicContact CE2-CD1 3.74Å; Y442-L480 WeakPolarHBondContact OH-CD1 3.5Å; A476-L480 WeakPolarHBondContact O-CB 3.49Å; A476-L480 VanDerWaalsContact O-CG 3.29Å; A476-L480 WeakPolarHBondContact O-CG 3.47Å; A476-L480 PolarHBondContact O-N 2.84Å; T477-L480 PolarHBondContact O-N 3.36Å; L480-S482 PolarHBondContact O-N 3.15Å; L480-L483 HydrophobicContact CD2-CD1 3.89Å; L480-L483 PolarHBondContact O-N 3.29Å; L480-I494 HydrophobicContact CD2-CD1 4.35Å
481	K	93.7	Very high	78.9	Confident	89 Å²	89	75.8 Å²	75.8	39%	0.387	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-34.5	175.1	-178.8	178.2	-179.5	161.8	0	112.5	I461 T477 N478 W479 L483	I461-K481 HydrophobicContact CD1-CB 3.93Å; I461-K481 HydrophobicContact CG1-CB 4.42Å; I461-K481 HydrophobicContact CG1-CD 4.15Å; I461-K481 HydrophobicContact CG2-CD 4.05Å; T477-K481 WeakPolarHBondContact O-CB 3.38Å; T477-K481 PolarHBondContact O-N 3.01Å; N478-K481 PolarHBondContact O-N 2.93Å; W479-K481 VanDerWaalsContact C-N 3.32Å; W479-K481 PolarHBondContact O-N 2.86Å; K481-L483 VanDerWaalsContact C-N 3.31Å
482	S	91.4	Very high	77.5	Confident	79 Å²	79	76.1 Å²	76.1	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-75.8	-18	-177.8	76	0	0	0	0	113.9	N478 W479 L480 Q484	N478-S482 PolarHBondContact O-N 3.48Å; W479-S482 WeakPolarHBondContact O-CB 3.46Å; W479-S482 PolarHBondContact O-N 3.44Å; W479-S482 PolarHBondContact O-OG 2.95Å; L480-S482 PolarHBondContact O-N 3.15Å; S482-Q484 PolarHBondContact O-N 2.82Å
483	L	88.7	Confident	76.8	Confident	18 Å²	18	79.8 Å²	79.8	9%	0.094	40%	0.395	C	S	.	.			trans	-68.6	120.7	-179.4	-58.2	175.7	0	0	0	110.3	V272 N275 W479 L480 K481 I494	V272-L483 HydrophobicContact CG2-CB 4.19Å; V272-L483 HydrophobicContact CG2-CD1 3.76Å; N275-L483 PolarHBondContact ND2-O 2.96Å; W479-L483 HydrophobicContact CE3-CD1 4.2Å; W479-L483 HydrophobicContact CH2-CD1 4.38Å; W479-L483 HydrophobicContact CZ2-CD2 4.33Å; W479-L483 HydrophobicContact CZ3-CD1 4.07Å; W479-L483 WeakPolarHBondContact O-CG 3.36Å; W479-L483 PolarHBondContact O-N 2.94Å; L480-L483 HydrophobicContact CD2-CD1 3.89Å; L480-L483 PolarHBondContact O-N 3.29Å; K481-L483 VanDerWaalsContact C-N 3.31Å; L483-I494 HydrophobicContact CD1-CD1 4.37Å; L483-I494 HydrophobicContact CD1-CG2 3.73Å; L483-I494 HydrophobicContact CD2-CG2 4.33Å
484	Q	75.9	Confident	76.4	Confident	142 Å²	142	74.3 Å²	74.3	66%	0.664	37%	0.371	S	S	*	.			trans	-83.1	138.4	175	-64.9	-177.4	-3.8	0	0	110.4	S482 T486	S482-Q484 PolarHBondContact O-N 2.82Å; Q484-T486 HydrophobicContact CB-CG2 3.84Å; Q484-T486 PolarHBondContact O-N 3.45Å
485	S	67.9	Low	76.1	Confident	55 Å²	55	75 Å²	75	39%	0.385	37%	0.374	S	S	.	.			trans	-75.1	98	162.8	-68.2	0	0	0	0	107.8	A273 V274 N275	A273-S485 PolarHBondContact O-OG 3.31Å; V274-S485 WeakPolarHBondContact CA-OG 3.47Å; N275-S485 PolarHBondContact N-OG 2.69Å; N275-S485 VanDerWaalsContact N-OG 3.12Å
486	T	55.1	Low	75.9	Confident	37 Å²	37	74.4 Å²	74.4	23%	0.227	37%	0.37	C	S	.	.			trans	-106.3	125.1	177.9	56.5	0	0	0	0	110.7	Q484 T488	Q484-T486 HydrophobicContact CB-CG2 3.84Å; Q484-T486 PolarHBondContact O-N 3.45Å; T486-T488 PolarHBondContact O-N 3.15Å
487	N	49.5	Very low	75.6	Confident	171 Å²	171	74.2 Å²	74.2	91%	0.914	37%	0.369	S	S	*	.			trans	-77	4.9	169.5	-76.5	-12.9	0	0	0	112.9
488	T	46.4	Very low	75.4	Confident	98 Å²	98	73.6 Å²	73.6	60%	0.601	37%	0.365	S	S	*	.	S	Bend	trans	-92.1	140.5	179	52.1	0	0	0	0	110.7	T486 R490	T486-T488 PolarHBondContact O-N 3.15Å; T488-R490 CarbonylContact O-C 3.55Å; T488-R490 PolarHBondContact O-N 2.74Å
489	E	43.4	Very low	75	Confident	190 Å²	190	73.5 Å²	73.5	89%	0.888	36%	0.364	S	S	*	.	S	Bend	trans	-54.9	-8.5	-165.8	-64.6	179.7	155.3	0	0	116.9	H491	E489-H491 VanDerWaalsContact C-N 3.28Å; E489-H491 PolarHBondContact O-N 3.21Å
490	R	47.7	Very low	74.8	Confident	230 Å²	230	75.6 Å²	75.6	87%	0.868	38%	0.381	S	S	*	.			trans	-88.5	68.2	169	-69.4	-174.7	-179	175.1	0.9	110	T488 L492	T488-R490 CarbonylContact O-C 3.55Å; T488-R490 PolarHBondContact O-N 2.74Å; R490-L492 PolarHBondContact O-N 3.12Å
491	H	54.9	Low	74.5	Confident	100 Å²	100	76.3 Å²	76.3	46%	0.463	39%	0.387	S	S	.	.			trans	-55.7	111.3	171.9	-65.8	-69.5	0	0	0	109.7	S271 E489 K493	S271-H491 WeakPolarHBondContact OG-CB 3.44Å; E489-H491 VanDerWaalsContact C-N 3.28Å; E489-H491 PolarHBondContact O-N 3.21Å; H491-K493 VanDerWaalsContact C-N 3.32Å; H491-K493 HydrophobicContact CB-CG 4.48Å; H491-K493 PolarHBondContact O-N 3.44Å
492	L	63.5	Low	74.2	Confident	111 Å²	111	77.1 Å²	77.1	58%	0.581	40%	0.395	S	S	*	.			trans	-62.8	98.2	165.3	-87.5	151.3	0	0	0	107.3	R490	R490-L492 PolarHBondContact O-N 3.12Å
493	K	79.1	Confident	74.2	Confident	121 Å²	121	73.8 Å²	73.8	53%	0.526	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.7	175.5	-61.1	-175.2	178.2	-178.1	0	109.4	Y269 A270 H491	Y269-K493 HydrophobicContact CD1-CB 4.1Å; Y269-K493 HydrophobicContact CG-CB 4.46Å; A270-K493 CarbonylContact O-C 3.53Å; A270-K493 WeakPolarHBondContact O-CA 3.45Å; H491-K493 VanDerWaalsContact C-N 3.32Å; H491-K493 HydrophobicContact CB-CG 4.48Å; H491-K493 PolarHBondContact O-N 3.44Å
494	I	85.4	Confident	74.4	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.2	178.2	60.7	164.5	0	0	0	111.1	Y269 A270 V272 L291 I308 W479 L480 L483 V496	Y269-I494 CarbonylContact C-O 3.3Å; Y269-I494 WeakPolarHBondContact CA-O 3.4Å; A270-I494 HydrophobicContact CB-CG1 4.47Å; A270-I494 PolarHBondContact N-O 3.37Å; A270-I494 WeakPolarHBondContact O-CG1 3.29Å; A270-I494 PolarHBondContact O-N 2.99Å; V272-I494 HydrophobicContact CG2-CD1 4.29Å; V272-I494 HydrophobicContact CG2-CG1 4.48Å; V272-I494 HydrophobicContact CG2-CG2 4.44Å; L291-I494 HydrophobicContact CD1-CD1 3.9Å; L291-I494 HydrophobicContact CD2-CD1 3.58Å; L291-I494 HydrophobicContact CD2-CG1 4.23Å; L291-I494 HydrophobicContact CG-CD1 4.42Å; I308-I494 HydrophobicContact CD1-CD1 4.28Å; W479-I494 HydrophobicContact CH2-CB 3.62Å; W479-I494 HydrophobicContact CH2-CG2 3.27Å; W479-I494 HydrophobicContact CZ2-CG2 3.87Å; W479-I494 HydrophobicContact CZ3-CB 4.23Å; W479-I494 HydrophobicContact CZ3-CD1 4.4Å; W479-I494 HydrophobicContact CZ3-CG2 3.96Å; L480-I494 HydrophobicContact CD2-CD1 4.35Å; L483-I494 HydrophobicContact CD1-CD1 4.37Å; L483-I494 HydrophobicContact CD1-CG2 3.73Å; L483-I494 HydrophobicContact CD2-CG2 4.33Å; I494-V496 HydrophobicContact CD1-CG1 4.02Å; I494-V496 HydrophobicContact CG1-CG1 3.94Å; I494-V496 PolarHBondContact O-N 2.89Å
495	P	87.9	Confident	75.3	Confident	26 Å²	26	69 Å²	69	17%	0.169	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.3	174.1	20.8	-24.1	0	0	0	110.3	Y269 F309	Y269-P495 HydrophobicContact CD1-CB 4.32Å; Y269-P495 HydrophobicContact CE1-CB 3.82Å; Y269-P495 HydrophobicContact CE1-CG 4.03Å; F309-P495 HydrophobicContact CB-CB 4Å; F309-P495 HydrophobicContact CB-CG 3.8Å; F309-P495 HydrophobicContact CD2-CB 4.43Å; F309-P495 WeakPolarHBondContact CD2-O 3.49Å; F309-P495 HydrophobicContact CG-CB 4.48Å; F309-P495 PolarHBondContact N-O 3.37Å; F309-P495 VanDerWaalsContact N-O 3.17Å
496	V	89.7	Confident	76.6	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.6	178.4	-53.8	0	0	0	0	111.4	Y267 F268 A270 L291 I306 A307 I308 I494	Y267-V496 WeakPolarHBondContact CA-O 3.47Å; F268-V496 HydrophobicContact CB-CG2 4.31Å; F268-V496 PolarHBondContact N-O 3.25Å; F268-V496 WeakPolarHBondContact O-CG2 3.4Å; F268-V496 PolarHBondContact O-N 3.04Å; A270-V496 HydrophobicContact CB-CG1 4.29Å; A270-V496 HydrophobicContact CB-CG2 3.97Å; L291-V496 HydrophobicContact CD1-CG1 3.92Å; I306-V496 HydrophobicContact CD1-CB 3.93Å; I306-V496 HydrophobicContact CD1-CG1 4.18Å; I306-V496 HydrophobicContact CD1-CG2 4.14Å; I306-V496 HydrophobicContact CG1-CB 4.08Å; A307-V496 CarbonylContact O-C 3.57Å; A307-V496 WeakPolarHBondContact O-CA 3.3Å; I308-V496 HydrophobicContact CD1-CB 4.27Å; I308-V496 HydrophobicContact CD1-CG1 3.47Å; I308-V496 VanDerWaalsContact CD1-CG1 3.47Å; I494-V496 HydrophobicContact CD1-CG1 4.02Å; I494-V496 HydrophobicContact CG1-CG1 3.94Å; I494-V496 PolarHBondContact O-N 2.89Å
497	A	89.6	Confident	78.4	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.3	165.2	0	0	0	0	0	113.3	Y262 N266 Y267 A307 F309	Y262-A497 HydrophobicContact CD2-CB 3.56Å; Y262-A497 HydrophobicContact CE2-CB 4.17Å; Y262-A497 HydrophobicContact CG-CB 4.29Å; N266-A497 CarbonylContact O-C 3.57Å; N266-A497 WeakPolarHBondContact O-CA 3.48Å; N266-A497 VanDerWaalsContact O-CB 3.32Å; N266-A497 WeakPolarHBondContact O-CB 3.35Å; Y267-A497 HydrophobicContact CD1-CB 3.85Å; Y267-A497 HydrophobicContact CD2-CB 4.44Å; Y267-A497 HydrophobicContact CE1-CB 3.78Å; Y267-A497 HydrophobicContact CE2-CB 4.37Å; Y267-A497 HydrophobicContact CG-CB 4.17Å; A307-A497 HydrophobicContact CB-CB 4.29Å; A307-A497 WeakPolarHBondContact CB-O 3.28Å; A307-A497 PolarHBondContact N-O 3.01Å; A307-A497 PolarHBondContact O-N 2.85Å; F309-A497 HydrophobicContact CE2-CB 3.95Å; F309-A497 HydrophobicContact CZ-CB 4.5Å
498	I	90.8	Very high	80.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.8	171.1	-58.9	-57.2	0	0	0	110.1	N266 L298 D304 I444 I455 T500	N266-I498 PolarHBondContact ND2-O 3.2Å; N266-I498 VanDerWaalsContact ND2-O 3.15Å; N266-I498 PolarHBondContact O-N 3.04Å; N266-I498 VanDerWaalsContact O-N 3.11Å; L298-I498 HydrophobicContact CD1-CG1 3.77Å; L298-I498 HydrophobicContact CD2-CD1 3.91Å; L298-I498 HydrophobicContact CD2-CG1 3.67Å; L298-I498 HydrophobicContact CG-CD1 4.3Å; L298-I498 HydrophobicContact CG-CG1 3.57Å; D304-I498 HydrophobicContact CB-CG2 4.34Å; I444-I498 HydrophobicContact CD1-CD1 4.1Å; I455-I498 HydrophobicContact CD1-CD1 3.68Å; I498-T500 HydrophobicContact CG2-CG2 4.45Å
499	H	87.6	Confident	82.8	Confident	29 Å²	29	70.7 Å²	70.7	13%	0.134	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.5	166.5	-178.3	64	0	0	0	108.2	Q69 D129 Y262 H305 L441	Q69-H499 PolarHBondContact NE2-CE1 3.01Å; D129-H499 IonicContact OD2-CE1 2.84Å; D129-H499 PolarHBondContact OD2-CE1 2.61Å; D129-H499 IonicContact OD2-ND1 3.95Å; Y262-H499 HydrophobicContact CD1-CB 4.35Å; Y262-H499 AromaticContact CD1-ND1 3.84Å; Y262-H499 HydrophobicContact CE1-CB 3.76Å; Y262-H499 AromaticContact CE1-CG 3.77Å; Y262-H499 AromaticContact CE1-ND1 3.33Å; Y262-H499 VanDerWaalsContact CE1-ND1 3.33Å; Y262-H499 WeakPolarHBondContact CE1-ND1 3.35Å; H305-H499 HydrophobicContact CB-CB 4.26Å; H305-H499 PolarHBondContact N-O 3.47Å; H305-H499 AromaticContact ND1-CD2 3.98Å; H305-H499 PolarHBondContact O-N 3.5Å; L441-H499 HydrophobicContact CD2-CB 3.74Å
500	T	88.4	Confident	85.3	Confident	88 Å²	88	65.3 Å²	65.3	54%	0.54	31%	0.308	S	S	.	.			trans	-71.2	134.8	-178.9	46.2	0	0	0	0	110.2	D304 I498	D304-T500 WeakPolarHBondContact OD1-CA 3.32Å; I498-T500 HydrophobicContact CG2-CG2 4.45Å
501	S	87.7	Confident	87.6	Confident	16 Å²	16	56.3 Å²	56.3	11%	0.112	28%	0.277	C	S	.	.			trans	-118.8	159	-177.6	109.2	0	0	0	0	111.6	G303 D304 H305 F503 N504	G303-S501 WeakPolarHBondContact O-CB 3.47Å; G303-S501 PolarHBondContact O-OG 3.4Å; D304-S501 PolarHBondContact OD1-N 3.24Å; H305-S501 WeakPolarHBondContact ND1-CB 3.36Å; S501-F503 VanDerWaalsContact C-N 3.27Å; S501-F503 WeakPolarHBondContact OG-CA 3.5Å; S501-F503 VanDerWaalsContact OG-CB 3.24Å; S501-F503 WeakPolarHBondContact OG-CB 2.89Å; S501-F503 PolarHBondContact OG-N 3.3Å; S501-N504 PolarHBondContact O-ND2 3.16Å
502	N	87.2	Confident	89.7	Confident	106 Å²	106	52.2 Å²	52.2	57%	0.567	26%	0.26	S	S	*	.	S	Bend	trans	-86.8	3.9	168.5	-74.3	-33.1	0	0	0	112	E126 N504 R660	E126-N502 PolarHBondContact OE1-ND2 3.04Å; N502-N504 VanDerWaalsContact C-N 3.27Å; N502-N504 PolarHBondContact O-N 2.9Å; N502-R660 WeakPolarHBondContact O-CD 3.43Å; N502-R660 PolarHBondContact O-NH1 3.14Å
503	F	92.7	Very high	91.3	Very high	9 Å²	9	47 Å²	47	4%	0.039	23%	0.232	C	C	.	.			trans	-85.1	62.8	-179.4	-160.1	-97.7	0	0	0	111.6	G303 S501 P524 F525 F528 Y615 C617 R660 D662	G303-F503 WeakPolarHBondContact CA-O 3.48Å; S501-F503 VanDerWaalsContact C-N 3.27Å; S501-F503 WeakPolarHBondContact OG-CA 3.5Å; S501-F503 VanDerWaalsContact OG-CB 3.24Å; S501-F503 WeakPolarHBondContact OG-CB 2.89Å; S501-F503 PolarHBondContact OG-N 3.3Å; F503-P524 HydrophobicContact CD1-CB 4.11Å; F503-P524 HydrophobicContact CD1-CG 4.44Å; F503-P524 HydrophobicContact CE1-CB 3.86Å; F503-P524 HydrophobicContact CE1-CG 3.84Å; F503-F525 HydrophobicContact CE1-CD1 4.47Å; F503-F525 AromaticContact CE1-CE1 3.71Å; F503-F525 HydrophobicContact CE1-CE1 3.71Å; F503-F525 HydrophobicContact CE1-CZ 4.34Å; F503-F525 AromaticContact CZ-CE1 3.68Å; F503-F525 HydrophobicContact CZ-CE1 3.68Å; F503-F525 AromaticContact CZ-CZ 3.93Å; F503-F525 HydrophobicContact CZ-CZ 3.93Å; F503-F528 HydrophobicContact CD1-CE2 4.48Å; F503-F528 AromaticContact CD1-CZ 3.89Å; F503-F528 HydrophobicContact CD1-CZ 3.89Å; F503-F528 HydrophobicContact CE1-CE2 4.26Å; F503-F528 HydrophobicContact CE1-CZ 4.1Å; F503-F528 VanDerWaalsContact O-CZ 3.28Å; F503-F528 WeakPolarHBondContact O-CZ 3.26Å; F503-Y615 HydrophobicContact CD1-CD1 4.36Å; F503-Y615 HydrophobicContact CD2-CD1 4.1Å; F503-Y615 AromaticContact CE1-CD1 4Å; F503-Y615 HydrophobicContact CE1-CD1 4Å; F503-Y615 AromaticContact CE2-CD1 3.72Å; F503-Y615 HydrophobicContact CE2-CD1 3.72Å; F503-Y615 HydrophobicContact CE2-CG 4.43Å; F503-Y615 HydrophobicContact CG-CD1 4.42Å; F503-Y615 AromaticContact CZ-CD1 3.7Å; F503-Y615 HydrophobicContact CZ-CD1 3.7Å; F503-Y615 HydrophobicContact CZ-CG 4.15Å; F503-C617 HydrophobicContact CZ-CB 4.33Å; F503-R660 HydrophobicContact CD2-CB 3.89Å; F503-R660 HydrophobicContact CE2-CB 4.06Å; F503-D662 HydrophobicContact CD1-CB 4.14Å; F503-D662 HydrophobicContact CD2-CB 3.66Å; F503-D662 HydrophobicContact CE1-CB 4.15Å; F503-D662 HydrophobicContact CE2-CB 3.66Å; F503-D662 HydrophobicContact CG-CB 3.88Å; F503-D662 HydrophobicContact CZ-CB 3.88Å
504	N	92.4	Very high	92.2	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.182	21%	0.208	C	C	.	.			trans	-111.8	155.8	-176.1	-57.2	-57.1	0	0	0	111.6	T302 S501 N502 Y615 R660	T302-N504 PolarHBondContact O-OD1 3.35Å; S501-N504 PolarHBondContact O-ND2 3.16Å; N502-N504 VanDerWaalsContact C-N 3.27Å; N502-N504 PolarHBondContact O-N 2.9Å; N504-Y615 WeakPolarHBondContact O-CE1 3.05Å; N504-Y615 PolarHBondContact O-OH 3.4Å; N504-R660 PolarHBondContact O-NH1 3.11Å
505	L	95.6	Very high	92.9	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.136	21%	0.207	C	C	.	.			trans	-57.4	157.2	170.9	-78	173.1	0	0	0	112.3	V513 F528 E531 R532 Y615	L505-V513 HydrophobicContact CD2-CG1 4.07Å; L505-F528 HydrophobicContact CD1-CB 4.29Å; L505-F528 HydrophobicContact CD1-CD1 4.36Å; L505-F528 HydrophobicContact CD1-CG 4.22Å; L505-F528 HydrophobicContact CD2-CB 4.08Å; L505-F528 HydrophobicContact CD2-CD1 4.39Å; L505-F528 HydrophobicContact CD2-CD2 3.41Å; L505-F528 VanDerWaalsContact CD2-CD2 3.41Å; L505-F528 HydrophobicContact CD2-CE2 3.82Å; L505-F528 HydrophobicContact CD2-CG 3.72Å; L505-F528 HydrophobicContact CD2-CZ 4.46Å; L505-F528 HydrophobicContact CG-CB 4.29Å; L505-F528 HydrophobicContact CG-CD1 3.92Å; L505-F528 HydrophobicContact CG-CD2 3.84Å; L505-F528 HydrophobicContact CG-CE1 4.14Å; L505-F528 HydrophobicContact CG-CE2 4.06Å; L505-F528 HydrophobicContact CG-CG 3.75Å; L505-F528 HydrophobicContact CG-CZ 4.2Å; L505-E531 HydrophobicContact CD1-CB 4.17Å; L505-E531 HydrophobicContact CD1-CG 4.1Å; L505-R532 HydrophobicContact CD1-CG 3.93Å; L505-Y615 WeakPolarHBondContact CA-OH 3.4Å
506	P	95	Very high	93.4	Very high	11 Å²	11	39.9 Å²	39.9	7%	0.071	20%	0.199	C	C	.	.			trans	-60.2	145.9	175.5	-20	32.7	0	0	0	111.2	S508 I511 V513 Y613 Y615	P506-S508 PolarHBondContact O-N 2.82Å; P506-I511 HydrophobicContact CB-CB 4.17Å; P506-I511 HydrophobicContact CB-CD1 4.2Å; P506-I511 HydrophobicContact CB-CG2 4.35Å; P506-I511 HydrophobicContact CG-CB 4.38Å; P506-I511 HydrophobicContact CG-CG2 4.23Å; P506-V513 HydrophobicContact CG-CG1 3.85Å; P506-Y613 HydrophobicContact CB-CD2 4.11Å; P506-Y613 HydrophobicContact CB-CE1 4.45Å; P506-Y613 HydrophobicContact CB-CE2 3.96Å; P506-Y613 HydrophobicContact CB-CG 4.43Å; P506-Y613 HydrophobicContact CG-CD1 3.99Å; P506-Y613 HydrophobicContact CG-CD2 3.65Å; P506-Y613 HydrophobicContact CG-CE1 4.35Å; P506-Y613 HydrophobicContact CG-CE2 4.02Å; P506-Y613 HydrophobicContact CG-CG 3.64Å; P506-Y615 VanDerWaalsContact CD-OH 3.31Å; P506-Y615 WeakPolarHBondContact CD-OH 3.5Å
507	R	92.2	Very high	93.7	Very high	261 Å²	261	39.9 Å²	39.9	99%	0.985	20%	0.199	S	C	*	.	S	Bend	trans	-56.8	-37.5	178.3	-72.4	-175.6	178.5	170.1	0.7	112.5
508	S	94	Very high	93.9	Very high	48 Å²	48	41.6 Å²	41.6	34%	0.336	21%	0.211	S	C	.	.	S	Bend	trans	-88.5	124.1	173.7	-176.9	0	0	0	0	110.7	P506 T510 I511	P506-S508 PolarHBondContact O-N 2.82Å; S508-T510 PolarHBondContact O-N 3Å; S508-T510 PolarHBondContact OG-N 2.97Å; S508-T510 PolarHBondContact OG-OG1 3.4Å; S508-I511 PolarHBondContact O-N 3.19Å
509	R	93.8	Very high	94.1	Very high	76 Å²	76	42.4 Å²	42.4	29%	0.287	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	174.4	65.3	175	175	152.3	-1.7	114.1	V535 K539 V540 G544	R509-V535 HydrophobicContact CB-CG1 4.32Å; R509-K539 PolarHBondContact NH1-O 3Å; R509-V540 PolarHBondContact NH2-O 3.35Å; R509-G544 PolarHBondContact O-N 2.75Å
510	T	95.3	Very high	94.4	Very high	76 Å²	76	42.2 Å²	42.2	47%	0.466	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.5	-179	60.3	0	0	0	0	113.2	S508 K542 G544	S508-T510 PolarHBondContact O-N 3Å; S508-T510 PolarHBondContact OG-N 2.97Å; S508-T510 PolarHBondContact OG-OG1 3.4Å; T510-K542 HydrophobicContact CG2-CB 4.44Å; T510-G544 VanDerWaalsContact O-CA 3.24Å; T510-G544 WeakPolarHBondContact O-CA 3.41Å
511	I	96.9	Very high	94.7	Very high	41 Å²	41	38 Å²	38	21%	0.21	19%	0.194	C	C	.	.	S	Bend	trans	-75.4	129.1	-177.5	-63.9	171.5	0	0	0	109	P506 S508 R532 Y613	P506-I511 HydrophobicContact CB-CB 4.17Å; P506-I511 HydrophobicContact CB-CD1 4.2Å; P506-I511 HydrophobicContact CB-CG2 4.35Å; P506-I511 HydrophobicContact CG-CB 4.38Å; P506-I511 HydrophobicContact CG-CG2 4.23Å; S508-I511 PolarHBondContact O-N 3.19Å; I511-R532 PolarHBondContact O-NH1 2.89Å; I511-R532 VanDerWaalsContact O-NH1 3.12Å; I511-R532 PolarHBondContact O-NH2 3.42Å; I511-Y613 HydrophobicContact CD1-CE2 4.39Å; I511-Y613 HydrophobicContact CG2-CD2 3.76Å; I511-Y613 HydrophobicContact CG2-CE2 4.09Å
512	P	97.8	Very high	95.1	Very high	15 Å²	15	37.3 Å²	37.3	10%	0.097	19%	0.189	C	C	.	.			trans	-66.8	156.8	176.7	-19.8	33	0	0	0	113	Q545 L606 C610 A612 Y613	P512-Q545 VanDerWaalsContact CA-O 3.26Å; P512-Q545 WeakPolarHBondContact CA-O 3.44Å; P512-L606 HydrophobicContact CB-CD2 3.86Å; P512-L606 HydrophobicContact CG-CD2 4.03Å; P512-C610 HydrophobicContact CG-CB 3.93Å; P512-A612 HydrophobicContact CB-CB 4.01Å; P512-A612 VanDerWaalsContact O-CA 3.31Å; P512-A612 WeakPolarHBondContact O-CA 3.34Å; P512-A612 WeakPolarHBondContact O-CB 3.26Å; P512-Y613 PolarHBondContact O-N 3.23Å; P512-Y613 VanDerWaalsContact O-N 3.11Å
513	V	98.4	Very high	95.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.2	175.5	-63.4	0	0	0	0	111.1	L505 P506 M515 Q545 M546 V547 Y613 Y615	L505-V513 HydrophobicContact CD2-CG1 4.07Å; P506-V513 HydrophobicContact CG-CG1 3.85Å; V513-M515 HydrophobicContact CG2-CE 4.46Å; V513-M515 HydrophobicContact CG2-CG 4.38Å; V513-M515 HydrophobicContact CG2-SD 4.35Å; V513-Q545 PolarHBondContact N-O 3.28Å; V513-M546 HydrophobicContact CG2-CB 4.2Å; V513-M546 HydrophobicContact CG2-CG 3.83Å; V513-V547 PolarHBondContact O-N 3.17Å; V513-Y613 CarbonylContact C-O 3.44Å; V513-Y613 WeakPolarHBondContact CA-O 3.43Å; V513-Y615 HydrophobicContact CB-CD2 4.34Å; V513-Y615 HydrophobicContact CB-CE2 4.15Å; V513-Y615 HydrophobicContact CG1-CD2 4.47Å; V513-Y615 HydrophobicContact CG1-CE2 3.79Å
514	I	98.6	Very high	95.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.2	173.1	-60.8	159.9	0	0	0	106.8	I516 V547 F549 V603 L606 L607 A612 Y613 I614 Y615	I514-I516 HydrophobicContact CG2-CD1 4.3Å; I514-I516 HydrophobicContact CG2-CG1 4.15Å; I514-V547 CarbonylContact C-O 3.56Å; I514-V547 WeakPolarHBondContact CA-O 3.36Å; I514-V547 HydrophobicContact CG1-CB 4.49Å; I514-F549 HydrophobicContact CG2-CD2 4.13Å; I514-F549 HydrophobicContact CG2-CE2 3.99Å; I514-V603 HydrophobicContact CD1-CG1 4.21Å; I514-L606 HydrophobicContact CD1-CB 3.98Å; I514-L606 HydrophobicContact CD1-CD1 4.32Å; I514-L606 HydrophobicContact CG1-CD1 4.11Å; I514-L607 HydrophobicContact CD1-CD2 3.83Å; I514-L607 HydrophobicContact CD1-CG 3.87Å; I514-A612 HydrophobicContact CD1-CB 4.21Å; I514-Y613 PolarHBondContact N-O 3.17Å; I514-I614 HydrophobicContact CD1-CG1 4.47Å; I514-I614 CarbonylContact O-C 3.56Å; I514-I614 WeakPolarHBondContact O-CA 3.39Å; I514-Y615 PolarHBondContact O-N 3.3Å
515	M	98.6	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.6	-176.1	-63.9	176.7	-62.9	0	0	108.6	V513 F525 F528 I529 M546 V547 L548 F549 L574 Y615	V513-M515 HydrophobicContact CG2-CE 4.46Å; V513-M515 HydrophobicContact CG2-CG 4.38Å; V513-M515 HydrophobicContact CG2-SD 4.35Å; M515-F525 HydrophobicContact CB-CB 4.39Å; M515-F525 HydrophobicContact CB-CD1 3.72Å; M515-F525 HydrophobicContact CB-CD2 3.8Å; M515-F525 HydrophobicContact CB-CE1 3.89Å; M515-F525 HydrophobicContact CB-CE2 3.93Å; M515-F525 HydrophobicContact CB-CG 3.7Å; M515-F525 HydrophobicContact CB-CZ 3.99Å; M515-F525 HydrophobicContact CG-CD1 3.57Å; M515-F525 HydrophobicContact CG-CE1 3.84Å; M515-F525 HydrophobicContact CG-CG 3.99Å; M515-F525 HydrophobicContact CG-CZ 4.42Å; M515-F525 HydrophobicContact SD-CB 3.86Å; M515-F525 HydrophobicContact SD-CD1 3.61Å; M515-F525 HydrophobicContact SD-CE1 4.43Å; M515-F525 HydrophobicContact SD-CG 3.89Å; M515-F528 HydrophobicContact SD-CB 3.95Å; M515-F528 HydrophobicContact SD-CD2 4.02Å; M515-F528 HydrophobicContact SD-CG 4.48Å; M515-I529 HydrophobicContact CE-CD1 4.18Å; M515-I529 HydrophobicContact CE-CG1 3.89Å; M515-M546 HydrophobicContact CE-CB 3.99Å; M515-M546 HydrophobicContact CE-CG 4.48Å; M515-M546 HydrophobicContact CE-SD 4.36Å; M515-V547 PolarHBondContact N-O 3.19Å; M515-L548 HydrophobicContact CB-CD1 3.93Å; M515-L548 HydrophobicContact CE-CB 4.29Å; M515-L548 CarbonylContact O-C 3.58Å; M515-L548 WeakPolarHBondContact O-CA 3.32Å; M515-F549 PolarHBondContact O-N 2.73Å; M515-L574 HydrophobicContact CE-CD1 4.21Å; M515-Y615 CarbonylContact C-O 3.53Å; M515-Y615 WeakPolarHBondContact CA-O 3.49Å
516	I	98.3	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.8	-176.1	-53.9	169.4	0	0	0	108.9	I514 F525 F549 V592 V596 I614 Y615 V616 C617 V627	I514-I516 HydrophobicContact CG2-CD1 4.3Å; I514-I516 HydrophobicContact CG2-CG1 4.15Å; I516-F525 WeakPolarHBondContact O-CE2 3.49Å; I516-F549 WeakPolarHBondContact CA-O 3.42Å; I516-F549 HydrophobicContact CG1-CB 4.25Å; I516-F549 HydrophobicContact CG1-CD2 4.05Å; I516-F549 HydrophobicContact CG2-CB 4.28Å; I516-V592 HydrophobicContact CG2-CB 4.02Å; I516-V592 HydrophobicContact CG2-CG2 3.81Å; I516-V596 HydrophobicContact CD1-CG2 3.89Å; I516-V596 HydrophobicContact CG1-CG2 4.24Å; I516-I614 HydrophobicContact CD1-CG2 4.26Å; I516-Y615 PolarHBondContact N-O 3.34Å; I516-V616 HydrophobicContact CB-CG2 4.25Å; I516-V616 HydrophobicContact CD1-CG2 4.25Å; I516-V616 WeakPolarHBondContact O-CA 3.49Å; I516-C617 PolarHBondContact O-N 2.73Å; I516-V627 HydrophobicContact CD1-CG1 3.71Å; I516-V627 HydrophobicContact CG2-CG1 4.21Å; I516-V627 HydrophobicContact CG2-CG2 3.81Å
517	A	97.1	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.6	-174.4	0	0	0	0	0	113.3	G521 F525 F549 F550 G551 V592 C617	A517-G521 VanDerWaalsContact CB-C 3.41Å; A517-G521 WeakPolarHBondContact CB-O 3.41Å; A517-F525 HydrophobicContact CB-CD2 3.55Å; A517-F525 HydrophobicContact CB-CE2 3.59Å; A517-F549 PolarHBondContact N-O 2.84Å; A517-F550 HydrophobicContact CB-CD2 4.27Å; A517-F550 CarbonylContact O-C 3.58Å; A517-F550 WeakPolarHBondContact O-CA 3.46Å; A517-G551 PolarHBondContact O-N 2.7Å; A517-V592 WeakPolarHBondContact O-CG1 3.35Å; A517-C617 WeakPolarHBondContact CA-O 3.18Å
518	S	94.1	Very high	96.7	Very high	36 Å²	36	17.1 Å²	17.1	25%	0.252	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.6	165.8	64	0	0	0	0	111.1	T520 G521 G551	S518-T520 PolarHBondContact O-N 2.81Å; S518-G521 PolarHBondContact O-N 2.82Å; S518-G551 CarbonylContact C-O 3.6Å; S518-G551 VanDerWaalsContact CA-O 3.3Å; S518-G551 WeakPolarHBondContact CA-O 3.23Å
519	G	93.5	Very high	96.9	Very high	17 Å²	17	15 Å²	15	18%	0.175	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	56.5	-125.3	177.8	0	0	0	0	0	112.7	G521 L522 F550 G551	G519-G521 PolarHBondContact O-N 3.13Å; G519-L522 PolarHBondContact O-N 2.9Å; G519-F550 WeakPolarHBondContact O-CE2 3.17Å; G519-G551 PolarHBondContact N-O 3.38Å
520	T	94.1	Very high	97.1	Very high	24 Å²	24	12.2 Å²	12.2	15%	0.147	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-68.9	-9.6	178.9	50.1	0	0	0	0	114.1	T458 S518 L522 A523	T458-T520 HydrophobicContact CG2-CG2 4.39Å; S518-T520 PolarHBondContact O-N 2.81Å; T520-L522 PolarHBondContact O-N 3.38Å; T520-A523 VanDerWaalsContact O-CB 3.28Å; T520-A523 WeakPolarHBondContact O-CB 3.35Å; T520-A523 PolarHBondContact O-N 3.09Å
521	G	94.9	Very high	97.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-57.1	-15.4	168.2	0	0	0	0	0	114	A517 S518 G519 A523 C617	A517-G521 VanDerWaalsContact CB-C 3.41Å; A517-G521 WeakPolarHBondContact CB-O 3.41Å; S518-G521 PolarHBondContact O-N 2.82Å; G519-G521 PolarHBondContact O-N 3.13Å; G521-A523 PolarHBondContact O-N 3.44Å; G521-C617 WeakPolarHBondContact CA-O 3.5Å; G521-C617 VanDerWaalsContact O-CB 3.29Å; G521-C617 WeakPolarHBondContact O-CB 3.24Å; G521-C617 PolarHBondContact O-SG 3.47Å
522	L	97.3	Very high	97.2	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.9	172.9	-174.3	67.6	0	0	0	113.2	G519 T520 F525 R526 L548 F550 I560 Y561 L565	G519-L522 PolarHBondContact O-N 2.9Å; T520-L522 PolarHBondContact O-N 3.38Å; L522-F525 HydrophobicContact CD1-CB 4.33Å; L522-F525 CarbonylContact O-C 3.53Å; L522-F525 WeakPolarHBondContact O-CA 3.43Å; L522-F525 PolarHBondContact O-N 2.91Å; L522-R526 PolarHBondContact O-N 3.5Å; L522-L548 HydrophobicContact CD1-CD1 4.12Å; L522-L548 HydrophobicContact CD1-CD2 3.8Å; L522-F550 HydrophobicContact CB-CD2 4.06Å; L522-F550 HydrophobicContact CB-CE2 3.73Å; L522-F550 HydrophobicContact CD1-CD2 4.01Å; L522-F550 HydrophobicContact CD1-CE2 4.42Å; L522-F550 HydrophobicContact CD1-CG 4.47Å; L522-F550 HydrophobicContact CD2-CD2 4.43Å; L522-F550 HydrophobicContact CD2-CE2 4.13Å; L522-F550 HydrophobicContact CD2-CZ 4.3Å; L522-F550 HydrophobicContact CG-CD2 4.39Å; L522-F550 HydrophobicContact CG-CE2 4.31Å; L522-I560 HydrophobicContact CB-CD1 4.17Å; L522-I560 HydrophobicContact CD2-CD1 3.95Å; L522-I560 HydrophobicContact CD2-CG1 3.75Å; L522-Y561 HydrophobicContact CD2-CD2 4.07Å; L522-L565 HydrophobicContact CD1-CD1 4.39Å; L522-L565 HydrophobicContact CD2-CD1 3.94Å
523	A	97.7	Very high	97.2	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.025	6%	0.059	C	C	.	.	H	α-helix	trans	-46.4	-61.1	-171.9	0	0	0	0	0	113.9	S445 T520 G521 F525 R526 A527	S445-A523 VanDerWaalsContact CA-O 3.22Å; S445-A523 WeakPolarHBondContact CA-O 3.49Å; S445-A523 WeakPolarHBondContact CB-O 3.42Å; T520-A523 VanDerWaalsContact O-CB 3.28Å; T520-A523 WeakPolarHBondContact O-CB 3.35Å; T520-A523 PolarHBondContact O-N 3.09Å; G521-A523 PolarHBondContact O-N 3.44Å; A523-F525 PolarHBondContact O-N 3.15Å; A523-R526 WeakPolarHBondContact O-CB 3.27Å; A523-R526 PolarHBondContact O-N 3.13Å; A523-A527 PolarHBondContact O-N 3.24Å
524	P	97.6	Very high	97	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.4	-25.5	-179.8	28.8	-35.6	0	0	0	112.9	F503 A527 F528 C617	F503-P524 HydrophobicContact CD1-CB 4.11Å; F503-P524 HydrophobicContact CD1-CG 4.44Å; F503-P524 HydrophobicContact CE1-CB 3.86Å; F503-P524 HydrophobicContact CE1-CG 3.84Å; P524-A527 WeakPolarHBondContact O-CB 3.41Å; P524-A527 PolarHBondContact O-N 3.16Å; P524-F528 VanDerWaalsContact O-CD1 3.29Å; P524-F528 WeakPolarHBondContact O-CD1 3.34Å; P524-F528 PolarHBondContact O-N 2.93Å; P524-C617 HydrophobicContact CG-CB 4.07Å; P524-C617 VanDerWaalsContact CG-SG 3.5Å
525	F	98.3	Very high	96.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-75.7	-31.3	179	-58.4	-33.5	0	0	0	113.2	F503 M515 I516 A517 L522 A523 A527 F528 I529 L548 Y615 C617	F503-F525 HydrophobicContact CE1-CD1 4.47Å; F503-F525 AromaticContact CE1-CE1 3.71Å; F503-F525 HydrophobicContact CE1-CE1 3.71Å; F503-F525 HydrophobicContact CE1-CZ 4.34Å; F503-F525 AromaticContact CZ-CE1 3.68Å; F503-F525 HydrophobicContact CZ-CE1 3.68Å; F503-F525 AromaticContact CZ-CZ 3.93Å; F503-F525 HydrophobicContact CZ-CZ 3.93Å; M515-F525 HydrophobicContact CB-CB 4.39Å; M515-F525 HydrophobicContact CB-CD1 3.72Å; M515-F525 HydrophobicContact CB-CD2 3.8Å; M515-F525 HydrophobicContact CB-CE1 3.89Å; M515-F525 HydrophobicContact CB-CE2 3.93Å; M515-F525 HydrophobicContact CB-CG 3.7Å; M515-F525 HydrophobicContact CB-CZ 3.99Å; M515-F525 HydrophobicContact CG-CD1 3.57Å; M515-F525 HydrophobicContact CG-CE1 3.84Å; M515-F525 HydrophobicContact CG-CG 3.99Å; M515-F525 HydrophobicContact CG-CZ 4.42Å; M515-F525 HydrophobicContact SD-CB 3.86Å; M515-F525 HydrophobicContact SD-CD1 3.61Å; M515-F525 HydrophobicContact SD-CE1 4.43Å; M515-F525 HydrophobicContact SD-CG 3.89Å; I516-F525 WeakPolarHBondContact O-CE2 3.49Å; A517-F525 HydrophobicContact CB-CD2 3.55Å; A517-F525 HydrophobicContact CB-CE2 3.59Å; L522-F525 HydrophobicContact CD1-CB 4.33Å; L522-F525 CarbonylContact O-C 3.53Å; L522-F525 WeakPolarHBondContact O-CA 3.43Å; L522-F525 PolarHBondContact O-N 2.91Å; A523-F525 PolarHBondContact O-N 3.15Å; F525-A527 VanDerWaalsContact C-N 3.28Å; F525-A527 PolarHBondContact O-N 3.48Å; F525-F528 HydrophobicContact CD1-CD2 4.08Å; F525-F528 HydrophobicContact CD1-CE2 4.49Å; F525-F528 PolarHBondContact O-N 3.3Å; F525-I529 WeakPolarHBondContact O-CB 3.28Å; F525-I529 WeakPolarHBondContact O-CD1 3.24Å; F525-I529 WeakPolarHBondContact O-CG1 3.45Å; F525-I529 PolarHBondContact O-N 3.04Å; F525-L548 HydrophobicContact CB-CD1 4.35Å; F525-L548 HydrophobicContact CD2-CD1 4.09Å; F525-Y615 HydrophobicContact CE1-CG 4.26Å; F525-Y615 WeakPolarHBondContact CZ-O 3.43Å; F525-C617 HydrophobicContact CE2-CB 3.74Å; F525-C617 HydrophobicContact CZ-CB 3.72Å
526	R	98.4	Very high	96.7	Very high	20 Å²	20	16.4 Å²	16.4	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-55.5	-48.1	165.3	-176.6	-179.2	-180	-91.4	-4.5	110.2	S445 H456 L522 A523 F528 I529 Q530 E564	S445-R526 WeakPolarHBondContact O-CD 3.32Å; S445-R526 PolarHBondContact O-NH1 2.77Å; H456-R526 PolarHBondContact ND1-NH1 2.81Å; H456-R526 VanDerWaalsContact ND1-NH1 3.16Å; L522-R526 PolarHBondContact O-N 3.5Å; A523-R526 WeakPolarHBondContact O-CB 3.27Å; A523-R526 PolarHBondContact O-N 3.13Å; R526-F528 PolarHBondContact O-N 3.36Å; R526-I529 PolarHBondContact O-N 3.32Å; R526-Q530 VanDerWaalsContact NH2-NE2 3.14Å; R526-Q530 VanDerWaalsContact O-CG 3.3Å; R526-Q530 WeakPolarHBondContact O-CG 3.41Å; R526-Q530 PolarHBondContact O-N 2.82Å; R526-E564 IonicContact CZ-OE1 3.4Å; R526-E564 IonicContact CZ-OE2 2.97Å; R526-E564 VanDerWaalsContact CZ-OE2 3.24Å; R526-E564 IonicContact NE-OE1 3.37Å; R526-E564 PolarHBondContact NE-OE1 2.98Å; R526-E564 IonicContact NE-OE2 3.42Å; R526-E564 PolarHBondContact NE-OE2 3.33Å; R526-E564 IonicContact NH2-OE1 2.67Å; R526-E564 PolarHBondContact NH2-OE1 3.13Å; R526-E564 IonicContact NH2-OE2 3.76Å; R526-E564 PolarHBondContact NH2-OE2 2.66Å
527	A	98.3	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-43	176.8	0	0	0	0	0	112.5	T302 S446 S447 A523 P524 F525 Q530 E531	T302-A527 HydrophobicContact CG2-CB 3.67Å; T302-A527 WeakPolarHBondContact CG2-O 3.3Å; S446-A527 VanDerWaalsContact O-CB 3.3Å; S446-A527 WeakPolarHBondContact O-CB 3.39Å; S447-A527 WeakPolarHBondContact CB-O 3.35Å; A523-A527 PolarHBondContact O-N 3.24Å; P524-A527 WeakPolarHBondContact O-CB 3.41Å; P524-A527 PolarHBondContact O-N 3.16Å; F525-A527 VanDerWaalsContact C-N 3.28Å; F525-A527 PolarHBondContact O-N 3.48Å; A527-Q530 PolarHBondContact O-N 3.17Å; A527-E531 WeakPolarHBondContact O-CB 3.14Å; A527-E531 PolarHBondContact O-N 2.99Å
528	F	98.2	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-42.1	178.1	-77.3	13.8	0	0	0	112.6	T302 F503 L505 M515 P524 F525 R526 E531 R532 Y615	T302-F528 HydrophobicContact CG2-CD1 3.65Å; T302-F528 HydrophobicContact CG2-CE1 4.13Å; F503-F528 HydrophobicContact CD1-CE2 4.48Å; F503-F528 AromaticContact CD1-CZ 3.89Å; F503-F528 HydrophobicContact CD1-CZ 3.89Å; F503-F528 HydrophobicContact CE1-CE2 4.26Å; F503-F528 HydrophobicContact CE1-CZ 4.1Å; F503-F528 VanDerWaalsContact O-CZ 3.28Å; F503-F528 WeakPolarHBondContact O-CZ 3.26Å; L505-F528 HydrophobicContact CD1-CB 4.29Å; L505-F528 HydrophobicContact CD1-CD1 4.36Å; L505-F528 HydrophobicContact CD1-CG 4.22Å; L505-F528 HydrophobicContact CD2-CB 4.08Å; L505-F528 HydrophobicContact CD2-CD1 4.39Å; L505-F528 HydrophobicContact CD2-CD2 3.41Å; L505-F528 VanDerWaalsContact CD2-CD2 3.41Å; L505-F528 HydrophobicContact CD2-CE2 3.82Å; L505-F528 HydrophobicContact CD2-CG 3.72Å; L505-F528 HydrophobicContact CD2-CZ 4.46Å; L505-F528 HydrophobicContact CG-CB 4.29Å; L505-F528 HydrophobicContact CG-CD1 3.92Å; L505-F528 HydrophobicContact CG-CD2 3.84Å; L505-F528 HydrophobicContact CG-CE1 4.14Å; L505-F528 HydrophobicContact CG-CE2 4.06Å; L505-F528 HydrophobicContact CG-CG 3.75Å; L505-F528 HydrophobicContact CG-CZ 4.2Å; M515-F528 HydrophobicContact SD-CB 3.95Å; M515-F528 HydrophobicContact SD-CD2 4.02Å; M515-F528 HydrophobicContact SD-CG 4.48Å; P524-F528 VanDerWaalsContact O-CD1 3.29Å; P524-F528 WeakPolarHBondContact O-CD1 3.34Å; P524-F528 PolarHBondContact O-N 2.93Å; F525-F528 HydrophobicContact CD1-CD2 4.08Å; F525-F528 HydrophobicContact CD1-CE2 4.49Å; F525-F528 PolarHBondContact O-N 3.3Å; R526-F528 PolarHBondContact O-N 3.36Å; F528-E531 PolarHBondContact O-N 3.35Å; F528-R532 PolarHBondContact O-N 2.98Å; F528-Y615 AromaticContact CE2-CD1 3.75Å; F528-Y615 HydrophobicContact CE2-CD1 3.75Å; F528-Y615 HydrophobicContact CE2-CD2 4.19Å; F528-Y615 AromaticContact CE2-CE1 3.72Å; F528-Y615 HydrophobicContact CE2-CE1 3.72Å; F528-Y615 HydrophobicContact CE2-CE2 4.17Å; F528-Y615 AromaticContact CE2-CG 3.99Å; F528-Y615 HydrophobicContact CE2-CG 3.99Å; F528-Y615 AromaticContact CE2-CZ 3.95Å; F528-Y615 HydrophobicContact CZ-CD1 4.3Å; F528-Y615 HydrophobicContact CZ-CE1 4.09Å
529	I	98.4	Very high	96	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-48.8	177.7	-70.4	162.9	0	0	0	109.8	M515 F525 R526 E531 R532 L533 M546 L548 L565 A568 L574	M515-I529 HydrophobicContact CE-CD1 4.18Å; M515-I529 HydrophobicContact CE-CG1 3.89Å; F525-I529 WeakPolarHBondContact O-CB 3.28Å; F525-I529 WeakPolarHBondContact O-CD1 3.24Å; F525-I529 WeakPolarHBondContact O-CG1 3.45Å; F525-I529 PolarHBondContact O-N 3.04Å; R526-I529 PolarHBondContact O-N 3.32Å; I529-E531 VanDerWaalsContact C-N 3.33Å; I529-E531 PolarHBondContact O-N 3.38Å; I529-R532 PolarHBondContact O-N 2.86Å; I529-L533 HydrophobicContact CG2-CD1 3.73Å; I529-L533 HydrophobicContact CG2-CG 4.34Å; I529-L533 WeakPolarHBondContact O-CB 3.24Å; I529-L533 VanDerWaalsContact O-CG 3.27Å; I529-L533 WeakPolarHBondContact O-CG 3.44Å; I529-L533 PolarHBondContact O-N 2.64Å; I529-M546 HydrophobicContact CB-SD 4.4Å; I529-M546 HydrophobicContact CG1-CE 4.4Å; I529-M546 HydrophobicContact CG1-SD 3.97Å; I529-M546 HydrophobicContact CG2-CE 4.33Å; I529-L548 HydrophobicContact CD1-CD2 4.16Å; I529-L565 HydrophobicContact CD1-CD2 3.65Å; I529-A568 HydrophobicContact CG2-CB 3.69Å; I529-L574 HydrophobicContact CD1-CD1 4.15Å; I529-L574 HydrophobicContact CD1-CD2 3.86Å; I529-L574 HydrophobicContact CG1-CD1 4.26Å; I529-L574 HydrophobicContact CG1-CD2 4.37Å; I529-L574 HydrophobicContact CG2-CD2 4.42Å
530	Q	98.1	Very high	95.6	Very high	18 Å²	18	38.6 Å²	38.6	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-55.3	-47.3	175	-73.1	-176.8	-8.8	0	0	112.1	V450 R526 A527 K534 E564	V450-Q530 HydrophobicContact CG2-CB 4.07Å; R526-Q530 VanDerWaalsContact NH2-NE2 3.14Å; R526-Q530 VanDerWaalsContact O-CG 3.3Å; R526-Q530 WeakPolarHBondContact O-CG 3.41Å; R526-Q530 PolarHBondContact O-N 2.82Å; A527-Q530 PolarHBondContact O-N 3.17Å; Q530-K534 WeakPolarHBondContact O-CB 3.49Å; Q530-K534 PolarHBondContact O-N 3.05Å; Q530-E564 PolarHBondContact NE2-OE1 3.06Å
531	E	97.2	Very high	95.4	Very high	35 Å²	35	40.1 Å²	40.1	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-48.2	-179.8	-178.1	150.8	112	0	0	112	T302 S447 L449 L505 A527 F528 I529 K534 V535	T302-E531 WeakPolarHBondContact CB-OE2 3.45Å; T302-E531 HydrophobicContact CG2-CB 4.11Å; T302-E531 PolarHBondContact OG1-OE2 2.89Å; S447-E531 WeakPolarHBondContact OG-CA 3.43Å; S447-E531 WeakPolarHBondContact OG-CB 3.4Å; S447-E531 PolarHBondContact OG-OE2 3.2Å; L449-E531 HydrophobicContact CD1-CG 3.85Å; L449-E531 HydrophobicContact CG-CG 4.4Å; L505-E531 HydrophobicContact CD1-CB 4.17Å; L505-E531 HydrophobicContact CD1-CG 4.1Å; A527-E531 WeakPolarHBondContact O-CB 3.14Å; A527-E531 PolarHBondContact O-N 2.99Å; F528-E531 PolarHBondContact O-N 3.35Å; I529-E531 VanDerWaalsContact C-N 3.33Å; I529-E531 PolarHBondContact O-N 3.38Å; E531-K534 PolarHBondContact O-N 2.97Å; E531-V535 HydrophobicContact CG-CG2 4.47Å; E531-V535 WeakPolarHBondContact O-CB 3.45Å; E531-V535 VanDerWaalsContact O-CG2 3.3Å; E531-V535 WeakPolarHBondContact O-CG2 3.35Å; E531-V535 PolarHBondContact O-N 3.23Å
532	R	96.7	Very high	95.1	Very high	8 Å²	8	48.7 Å²	48.7	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-39.8	-179	-81.8	-169.3	168.3	-147.1	-3.7	112.7	L505 I511 F528 I529 V535 A536 G544 Q545 M546 L573	L505-R532 HydrophobicContact CD1-CG 3.93Å; I511-R532 PolarHBondContact O-NH1 2.89Å; I511-R532 VanDerWaalsContact O-NH1 3.12Å; I511-R532 PolarHBondContact O-NH2 3.42Å; F528-R532 PolarHBondContact O-N 2.98Å; I529-R532 PolarHBondContact O-N 2.86Å; R532-V535 PolarHBondContact O-N 3.31Å; R532-A536 VanDerWaalsContact O-CB 3.29Å; R532-A536 WeakPolarHBondContact O-CB 3.48Å; R532-A536 PolarHBondContact O-N 3.17Å; R532-G544 PolarHBondContact NH1-O 2.67Å; R532-Q545 PolarHBondContact NH1-O 3.49Å; R532-M546 HydrophobicContact CB-CE 3.86Å; R532-M546 HydrophobicContact CB-CG 4.47Å; R532-M546 HydrophobicContact CB-SD 3.57Å; R532-M546 VanDerWaalsContact CB-SD 3.57Å; R532-M546 WeakPolarHBondContact CD-SD 3.32Å; R532-M546 HydrophobicContact CG-SD 3.97Å; R532-L573 HydrophobicContact CB-CD2 4.36Å
533	L	96.7	Very high	94.9	Very high	48 Å²	48	49.9 Å²	49.9	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-45.2	174.5	-72.3	172.8	0	0	0	111.2	I529 V535 A536 H537 M546 A568 T571 L573	I529-L533 HydrophobicContact CG2-CD1 3.73Å; I529-L533 HydrophobicContact CG2-CG 4.34Å; I529-L533 WeakPolarHBondContact O-CB 3.24Å; I529-L533 VanDerWaalsContact O-CG 3.27Å; I529-L533 WeakPolarHBondContact O-CG 3.44Å; I529-L533 PolarHBondContact O-N 2.64Å; L533-V535 PolarHBondContact O-N 3.4Å; L533-A536 PolarHBondContact O-N 3.41Å; L533-H537 WeakPolarHBondContact O-CB 3.4Å; L533-H537 PolarHBondContact O-N 3.11Å; L533-M546 HydrophobicContact CG-CE 4.41Å; L533-A568 HydrophobicContact CD1-CB 3.8Å; L533-T571 HydrophobicContact CD2-CG2 3.85Å; L533-T571 WeakPolarHBondContact CD2-OG1 3.42Å; L533-L573 HydrophobicContact CD2-CB 4.42Å; L533-L573 HydrophobicContact CD2-CD2 4.09Å
534	K	96	Very high	94.8	Very high	73 Å²	73	50 Å²	50	32%	0.317	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-46	176.4	-177.8	55.6	172.6	153.5	0	111.9	L449 V450 Q530 E531 H537 D538	L449-K534 HydrophobicContact CB-CG 4.37Å; V450-K534 HydrophobicContact CG2-CB 3.74Å; V450-K534 HydrophobicContact CG2-CG 4.05Å; Q530-K534 WeakPolarHBondContact O-CB 3.49Å; Q530-K534 PolarHBondContact O-N 3.05Å; E531-K534 PolarHBondContact O-N 2.97Å; K534-H537 PolarHBondContact O-N 3.09Å; K534-D538 WeakPolarHBondContact CD-OD2 3.32Å; K534-D538 WeakPolarHBondContact CE-OD2 3.44Å; K534-D538 VanDerWaalsContact NZ-CG 3.27Å; K534-D538 IonicContact NZ-OD1 3.48Å; K534-D538 PolarHBondContact NZ-OD1 3.44Å; K534-D538 IonicContact NZ-OD2 3.67Å; K534-D538 PolarHBondContact NZ-OD2 3.15Å; K534-D538 WeakPolarHBondContact O-CB 3.44Å; K534-D538 VanDerWaalsContact O-CG 3.25Å; K534-D538 PolarHBondContact O-N 3.48Å
535	V	94.5	Very high	94.7	Very high	20 Å²	20	53.2 Å²	53.2	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-39.4	177.5	169.4	0	0	0	0	112.3	L449 R509 E531 R532 L533 H537 K539	L449-V535 HydrophobicContact CD1-CG2 3.8Å; R509-V535 HydrophobicContact CB-CG1 4.32Å; E531-V535 HydrophobicContact CG-CG2 4.47Å; E531-V535 WeakPolarHBondContact O-CB 3.45Å; E531-V535 VanDerWaalsContact O-CG2 3.3Å; E531-V535 WeakPolarHBondContact O-CG2 3.35Å; E531-V535 PolarHBondContact O-N 3.23Å; R532-V535 PolarHBondContact O-N 3.31Å; L533-V535 PolarHBondContact O-N 3.4Å; V535-H537 VanDerWaalsContact C-N 3.34Å; V535-K539 HydrophobicContact CG1-CD 4.33Å; V535-K539 WeakPolarHBondContact O-CB 3.24Å; V535-K539 PolarHBondContact O-N 2.9Å; V535-K539 VanDerWaalsContact O-N 3.09Å
536	A	94.6	Very high	94.7	Very high	39 Å²	39	53.2 Å²	53.2	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-37.8	177.3	0	0	0	0	0	111.8	R532 L533 T543 L573	R532-A536 VanDerWaalsContact O-CB 3.29Å; R532-A536 WeakPolarHBondContact O-CB 3.48Å; R532-A536 PolarHBondContact O-N 3.17Å; L533-A536 PolarHBondContact O-N 3.41Å; A536-T543 HydrophobicContact CB-CG2 4.32Å; A536-L573 HydrophobicContact CB-CD2 3.92Å
537	H	93.2	Very high	94.7	Very high	160 Å²	160	52.2 Å²	52.2	74%	0.741	28%	0.278	S	S	*	.	H	α-helix	trans	-69	-46.6	175.2	-174.7	75.3	0	0	0	112.3	L533 K534 V535	L533-H537 WeakPolarHBondContact O-CB 3.4Å; L533-H537 PolarHBondContact O-N 3.11Å; K534-H537 PolarHBondContact O-N 3.09Å; V535-H537 VanDerWaalsContact C-N 3.34Å
538	D	92.4	Very high	94.7	Very high	90 Å²	90	52.2 Å²	52.2	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-78.4	-23	-172.2	-69.2	-8.6	0	0	0	114	K534	K534-D538 WeakPolarHBondContact CD-OD2 3.32Å; K534-D538 WeakPolarHBondContact CE-OD2 3.44Å; K534-D538 VanDerWaalsContact NZ-CG 3.27Å; K534-D538 IonicContact NZ-OD1 3.48Å; K534-D538 PolarHBondContact NZ-OD1 3.44Å; K534-D538 IonicContact NZ-OD2 3.67Å; K534-D538 PolarHBondContact NZ-OD2 3.15Å; K534-D538 WeakPolarHBondContact O-CB 3.44Å; K534-D538 VanDerWaalsContact O-CG 3.25Å; K534-D538 PolarHBondContact O-N 3.48Å
539	K	89.7	Confident	94.7	Very high	121 Å²	121	52.2 Å²	52.2	53%	0.526	28%	0.278	S	S	.	.	S	Bend	trans	-129.4	117.7	-171.3	-65.1	-177.5	-172.7	176	0	111.8	R509 V535	R509-K539 PolarHBondContact NH1-O 3Å; V535-K539 HydrophobicContact CG1-CD 4.33Å; V535-K539 WeakPolarHBondContact O-CB 3.24Å; V535-K539 PolarHBondContact O-N 2.9Å; V535-K539 VanDerWaalsContact O-N 3.09Å
540	V	86.4	Confident	94.7	Very high	148 Å²	148	52.1 Å²	52.1	90%	0.897	28%	0.277	S	S	*	.			trans	-54.4	141.1	171.4	-174.9	0	0	0	0	111.3	R509	R509-V540 PolarHBondContact NH2-O 3.35Å
541	G	87.9	Confident	94.6	Very high	56 Å²	56	51.7 Å²	51.7	58%	0.577	28%	0.277	S	S	*	.	S	Bend	trans	119.6	178.4	175.7	0	0	0	0	0	113.5
542	K	90.6	Very high	94.5	Very high	180 Å²	180	50.5 Å²	50.5	78%	0.783	27%	0.273	S	S	*	.			trans	-68.1	135.6	-177.8	-65.8	-174.1	178.4	-177.4	0	111.1	T510	T510-K542 HydrophobicContact CG2-CB 4.44Å
543	T	93.1	Very high	94.3	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.16	29%	0.286	C	S	.	.			trans	-116.1	133.5	165.8	-57.8	0	0	0	0	107.3	A536 L573	A536-T543 HydrophobicContact CB-CG2 4.32Å; T543-L573 HydrophobicContact CG2-CD1 3.98Å; T543-L573 HydrophobicContact CG2-CD2 4.04Å
544	G	93.8	Very high	94.2	Very high	5 Å²	5	53.5 Å²	53.5	5%	0.052	28%	0.282	C	S	.	.			trans	-65.5	141.8	-178.8	0	0	0	0	0	110.7	R509 T510 R532	R509-G544 PolarHBondContact O-N 2.75Å; T510-G544 VanDerWaalsContact O-CA 3.24Å; T510-G544 WeakPolarHBondContact O-CA 3.41Å; R532-G544 PolarHBondContact NH1-O 2.67Å
545	Q	95.8	Very high	94.1	Very high	67 Å²	67	54.7 Å²	54.7	31%	0.313	29%	0.289	S	S	.	.			trans	-56.1	145.7	177.5	-172.7	-178.5	1.3	0	0	111.4	P512 V513 R532 V547 E575	P512-Q545 VanDerWaalsContact CA-O 3.26Å; P512-Q545 WeakPolarHBondContact CA-O 3.44Å; V513-Q545 PolarHBondContact N-O 3.28Å; R532-Q545 PolarHBondContact NH1-O 3.49Å; Q545-V547 HydrophobicContact CG-CG2 4.42Å; Q545-E575 PolarHBondContact NE2-OE2 3Å
546	M	98.3	Very high	94.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.2	167.9	-61.9	-174.3	-77.6	0	0	109.4	V513 M515 I529 R532 L533 L573 L574 E575	V513-M546 HydrophobicContact CG2-CB 4.2Å; V513-M546 HydrophobicContact CG2-CG 3.83Å; M515-M546 HydrophobicContact CE-CB 3.99Å; M515-M546 HydrophobicContact CE-CG 4.48Å; M515-M546 HydrophobicContact CE-SD 4.36Å; I529-M546 HydrophobicContact CB-SD 4.4Å; I529-M546 HydrophobicContact CG1-CE 4.4Å; I529-M546 HydrophobicContact CG1-SD 3.97Å; I529-M546 HydrophobicContact CG2-CE 4.33Å; R532-M546 HydrophobicContact CB-CE 3.86Å; R532-M546 HydrophobicContact CB-CG 4.47Å; R532-M546 HydrophobicContact CB-SD 3.57Å; R532-M546 VanDerWaalsContact CB-SD 3.57Å; R532-M546 WeakPolarHBondContact CD-SD 3.32Å; R532-M546 HydrophobicContact CG-SD 3.97Å; L533-M546 HydrophobicContact CG-CE 4.41Å; M546-L573 HydrophobicContact CE-CB 4.37Å; M546-L573 HydrophobicContact CE-CD2 3.8Å; M546-L573 HydrophobicContact CE-CG 3.78Å; M546-L573 PolarHBondContact N-O 3.11Å; M546-L574 HydrophobicContact CB-CD1 3.71Å; M546-L574 HydrophobicContact CE-CB 4.28Å; M546-L574 WeakPolarHBondContact O-CA 3.37Å; M546-E575 PolarHBondContact O-N 3.33Å
547	V	98.6	Very high	94.1	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.8	170.3	180	0	0	0	0	108.5	V513 I514 M515 Q545 F549 E575 F577 M602 L606	V513-V547 PolarHBondContact O-N 3.17Å; I514-V547 CarbonylContact C-O 3.56Å; I514-V547 WeakPolarHBondContact CA-O 3.36Å; I514-V547 HydrophobicContact CG1-CB 4.49Å; M515-V547 PolarHBondContact N-O 3.19Å; Q545-V547 HydrophobicContact CG-CG2 4.42Å; V547-F549 HydrophobicContact CG1-CD2 4.08Å; V547-F549 HydrophobicContact CG1-CE2 3.48Å; V547-F549 VanDerWaalsContact CG1-CE2 3.48Å; V547-F549 HydrophobicContact CG1-CZ 3.97Å; V547-E575 CarbonylContact C-O 3.56Å; V547-E575 WeakPolarHBondContact CA-O 3.46Å; V547-F577 HydrophobicContact CG1-CD2 4.11Å; V547-F577 HydrophobicContact CG1-CE2 4Å; V547-M602 HydrophobicContact CG1-CE 3.68Å; V547-M602 HydrophobicContact CG2-CE 4.13Å; V547-M602 HydrophobicContact CG2-SD 4.33Å; V547-L606 HydrophobicContact CG2-CD1 3.61Å
548	L	98.7	Very high	94.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	177	176	65	0	0	0	110.7	M515 L522 F525 I529 F550 L565 L574 E575 M576 F577	M515-L548 HydrophobicContact CB-CD1 3.93Å; M515-L548 HydrophobicContact CE-CB 4.29Å; M515-L548 CarbonylContact O-C 3.58Å; M515-L548 WeakPolarHBondContact O-CA 3.32Å; L522-L548 HydrophobicContact CD1-CD1 4.12Å; L522-L548 HydrophobicContact CD1-CD2 3.8Å; F525-L548 HydrophobicContact CB-CD1 4.35Å; F525-L548 HydrophobicContact CD2-CD1 4.09Å; I529-L548 HydrophobicContact CD1-CD2 4.16Å; L548-F550 HydrophobicContact CD1-CB 4.48Å; L548-F550 HydrophobicContact CD2-CB 4.3Å; L548-F550 HydrophobicContact CG-CB 4.15Å; L548-L565 HydrophobicContact CD2-CD1 4.38Å; L548-L565 HydrophobicContact CD2-CD2 3.88Å; L548-L574 HydrophobicContact CB-CD1 3.91Å; L548-E575 PolarHBondContact N-O 2.73Å; L548-M576 HydrophobicContact CB-CG 4.37Å; L548-M576 HydrophobicContact CD2-CG 4.13Å; L548-M576 HydrophobicContact CD2-SD 4.24Å; L548-M576 HydrophobicContact CG-CG 4.36Å; L548-M576 CarbonylContact O-C 3.55Å; L548-M576 WeakPolarHBondContact O-CA 3.29Å; L548-F577 PolarHBondContact O-N 3.34Å
549	F	98.5	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.3	164.2	-64.4	-87.4	0	0	0	108.6	I514 M515 I516 A517 V547 F577 K595 V596 M599 M602 V603	I514-F549 HydrophobicContact CG2-CD2 4.13Å; I514-F549 HydrophobicContact CG2-CE2 3.99Å; M515-F549 PolarHBondContact O-N 2.73Å; I516-F549 WeakPolarHBondContact CA-O 3.42Å; I516-F549 HydrophobicContact CG1-CB 4.25Å; I516-F549 HydrophobicContact CG1-CD2 4.05Å; I516-F549 HydrophobicContact CG2-CB 4.28Å; A517-F549 PolarHBondContact N-O 2.84Å; V547-F549 HydrophobicContact CG1-CD2 4.08Å; V547-F549 HydrophobicContact CG1-CE2 3.48Å; V547-F549 VanDerWaalsContact CG1-CE2 3.48Å; V547-F549 HydrophobicContact CG1-CZ 3.97Å; F549-F577 CarbonylContact C-O 3.6Å; F549-F577 WeakPolarHBondContact CA-O 3.39Å; F549-F577 HydrophobicContact CD1-CB 3.66Å; F549-F577 HydrophobicContact CD1-CD2 4.15Å; F549-F577 HydrophobicContact CD1-CG 4.17Å; F549-F577 HydrophobicContact CE1-CB 3.83Å; F549-F577 AromaticContact CE1-CD2 3.67Å; F549-F577 HydrophobicContact CE1-CD2 3.67Å; F549-F577 HydrophobicContact CE1-CE2 4.5Å; F549-F577 AromaticContact CE1-CG 3.84Å; F549-F577 HydrophobicContact CE1-CG 3.84Å; F549-F577 AromaticContact CZ-CD2 3.95Å; F549-F577 HydrophobicContact CZ-CD2 3.95Å; F549-F577 HydrophobicContact CZ-CE2 4.44Å; F549-K595 HydrophobicContact CD1-CB 3.81Å; F549-K595 HydrophobicContact CE1-CB 4.22Å; F549-K595 WeakPolarHBondContact CE1-O 3.38Å; F549-V596 HydrophobicContact CB-CG2 4.2Å; F549-V596 HydrophobicContact CD1-CG2 3.8Å; F549-V596 HydrophobicContact CD2-CG2 3.82Å; F549-V596 HydrophobicContact CE1-CG2 4.11Å; F549-V596 HydrophobicContact CE2-CG2 4.11Å; F549-V596 HydrophobicContact CG-CG2 3.66Å; F549-V596 HydrophobicContact CZ-CG2 4.26Å; F549-M599 HydrophobicContact CE1-CB 4.04Å; F549-M599 HydrophobicContact CE1-CG 4.05Å; F549-M599 HydrophobicContact CZ-CB 3.97Å; F549-M599 HydrophobicContact CZ-CG 4.39Å; F549-M602 HydrophobicContact CZ-CE 4.2Å; F549-V603 HydrophobicContact CE2-CG2 3.87Å; F549-V603 HydrophobicContact CZ-CG2 3.69Å
550	F	97.8	Very high	94.7	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.5	-175.2	179.2	-113.4	0	0	0	112.7	A517 G519 L522 L548 C552 F559 I560 F577 T578 A579	A517-F550 HydrophobicContact CB-CD2 4.27Å; A517-F550 CarbonylContact O-C 3.58Å; A517-F550 WeakPolarHBondContact O-CA 3.46Å; G519-F550 WeakPolarHBondContact O-CE2 3.17Å; L522-F550 HydrophobicContact CB-CD2 4.06Å; L522-F550 HydrophobicContact CB-CE2 3.73Å; L522-F550 HydrophobicContact CD1-CD2 4.01Å; L522-F550 HydrophobicContact CD1-CE2 4.42Å; L522-F550 HydrophobicContact CD1-CG 4.47Å; L522-F550 HydrophobicContact CD2-CD2 4.43Å; L522-F550 HydrophobicContact CD2-CE2 4.13Å; L522-F550 HydrophobicContact CD2-CZ 4.3Å; L522-F550 HydrophobicContact CG-CD2 4.39Å; L522-F550 HydrophobicContact CG-CE2 4.31Å; L548-F550 HydrophobicContact CD1-CB 4.48Å; L548-F550 HydrophobicContact CD2-CB 4.3Å; L548-F550 HydrophobicContact CG-CB 4.15Å; F550-C552 HydrophobicContact CE1-CB 4.08Å; F550-C552 HydrophobicContact CZ-CB 4.16Å; F550-F559 AromaticContact CD1-CD2 3.89Å; F550-F559 HydrophobicContact CD1-CD2 3.89Å; F550-F559 AromaticContact CD1-CE2 3.68Å; F550-F559 HydrophobicContact CD1-CE2 3.68Å; F550-F559 AromaticContact CE1-CD2 3.54Å; F550-F559 HydrophobicContact CE1-CD2 3.54Å; F550-F559 AromaticContact CE1-CE2 3.82Å; F550-F559 HydrophobicContact CE1-CE2 3.82Å; F550-I560 HydrophobicContact CZ-CG1 4Å; F550-F577 PolarHBondContact N-O 3.06Å; F550-T578 CarbonylContact O-C 3.51Å; F550-T578 VanDerWaalsContact O-CA 3.24Å; F550-T578 WeakPolarHBondContact O-CA 3.45Å; F550-A579 PolarHBondContact O-N 3Å
551	G	95.6	Very high	95.3	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134	178.4	0	0	0	0	0	114.1	A517 S518 G519 A579 V592	A517-G551 PolarHBondContact O-N 2.7Å; S518-G551 CarbonylContact C-O 3.6Å; S518-G551 VanDerWaalsContact CA-O 3.3Å; S518-G551 WeakPolarHBondContact CA-O 3.23Å; G519-G551 PolarHBondContact N-O 3.38Å; G551-A579 VanDerWaalsContact CA-O 3.3Å; G551-A579 WeakPolarHBondContact CA-O 3.17Å; G551-V592 VanDerWaalsContact N-CG1 3.33Å
552	C	94.8	Very high	95.7	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.068	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	-172.1	167.5	66.9	0	0	0	0	111	F550 A579 F580 S581	F550-C552 HydrophobicContact CE1-CB 4.08Å; F550-C552 HydrophobicContact CZ-CB 4.16Å; C552-A579 PolarHBondContact N-O 3.01Å; C552-A579 VanDerWaalsContact N-O 3.08Å; C552-F580 VanDerWaalsContact SG-CD1 3.52Å; C552-S581 PolarHBondContact O-N 2.84Å; C552-S581 PolarHBondContact O-OG 3.12Å
553	R	93.3	Very high	96	Very high	80 Å²	80	34.6 Å²	34.6	30%	0.302	17%	0.173	S	C	.	.	S	Bend	trans	-81.4	-52.6	-179.7	-66.5	-173	-179.7	176.6	-0.4	111.5	R284 D558 S581 R582	R284-R553 VanDerWaalsContact NH1-CZ 3.32Å; R284-R553 VanDerWaalsContact NH2-CD 3.25Å; R553-D558 WeakPolarHBondContact CB-OD2 3.36Å; R553-D558 WeakPolarHBondContact CG-OD2 3.28Å; R553-D558 PolarHBondContact N-OD1 2.79Å; R553-D558 PolarHBondContact N-OD2 3.06Å; R553-D558 VanDerWaalsContact N-OD2 3.14Å; R553-S581 PolarHBondContact O-N 3.06Å; R553-R582 HydrophobicContact CB-CG 4.22Å; R553-R582 VanDerWaalsContact CD-CZ 3.5Å; R553-R582 VanDerWaalsContact CZ-NH2 3.31Å; R553-R582 WeakPolarHBondContact O-CB 3.42Å; R553-R582 PolarHBondContact O-N 3.31Å
554	H	94.4	Very high	96.2	Very high	39 Å²	39	35.9 Å²	35.9	18%	0.181	18%	0.177	C	C	.	.			trans	-139.6	137.8	-173.9	-59.2	-76.6	0	0	0	110.4	N556 K557 D558 R582 D583	H554-N556 VanDerWaalsContact C-N 3.27Å; H554-N556 PolarHBondContact O-N 2.8Å; H554-K557 HydrophobicContact CB-CB 4.13Å; H554-K557 HydrophobicContact CB-CD 4.31Å; H554-K557 HydrophobicContact CB-CG 4.36Å; H554-K557 PolarHBondContact O-N 3.49Å; H554-D558 PolarHBondContact N-OD1 3.01Å; H554-D558 PolarHBondContact O-N 3.37Å; H554-R582 WeakPolarHBondContact CE1-CB 3.32Å; H554-R582 PolarHBondContact CE1-O 3.39Å; H554-D583 WeakPolarHBondContact CA-OD1 3.23Å; H554-D583 WeakPolarHBondContact CA-OD2 3.35Å; H554-D583 WeakPolarHBondContact CB-OD1 3.34Å; H554-D583 IonicContact CE1-OD1 3.68Å; H554-D583 IonicContact CG-OD1 2.74Å; H554-D583 IonicContact ND1-OD1 3.7Å; H554-D583 PolarHBondContact ND1-OD1 3.5Å
555	E	95.3	Very high	96.4	Very high	98 Å²	98	35.9 Å²	35.9	46%	0.458	18%	0.176	S	C	.	.	H	α-helix	trans	-56.6	-43	176	-171.5	175.6	-175.1	0	0	111.7	K557 F559 F580 D583	E555-K557 PolarHBondContact O-N 2.72Å; E555-F559 HydrophobicContact CG-CD1 4.05Å; E555-F559 VanDerWaalsContact O-CB 3.23Å; E555-F559 WeakPolarHBondContact O-CB 3.33Å; E555-F580 HydrophobicContact CB-CD1 4.1Å; E555-F580 HydrophobicContact CB-CD2 4.12Å; E555-F580 HydrophobicContact CB-CE1 3.79Å; E555-F580 HydrophobicContact CB-CE2 3.79Å; E555-F580 HydrophobicContact CB-CG 4.27Å; E555-F580 HydrophobicContact CB-CZ 3.63Å; E555-F580 HydrophobicContact CG-CE1 4.08Å; E555-F580 HydrophobicContact CG-CE2 3.93Å; E555-F580 HydrophobicContact CG-CZ 3.56Å; E555-D583 PolarHBondContact N-OD2 2.76Å
556	N	94.3	Very high	96.5	Very high	112 Å²	112	37.6 Å²	37.6	60%	0.599	18%	0.182	S	C	*	.	H	α-helix	trans	-87.9	4.4	-172.4	68	-1.8	0	0	0	115.6	H554	H554-N556 VanDerWaalsContact C-N 3.27Å; H554-N556 PolarHBondContact O-N 2.8Å
557	K	94.2	Very high	96.4	Very high	80 Å²	80	44.2 Å²	44.2	35%	0.348	21%	0.213	S	C	.	.	H	α-helix	trans	-127.6	-50.6	-178.1	-66.7	173.2	-172.8	172	0	114	Y279 H280 H554 E555	Y279-K557 CarbonylContact C-O 3.58Å; Y279-K557 WeakPolarHBondContact CA-O 3.22Å; H280-K557 PolarHBondContact N-O 3.08Å; H280-K557 WeakPolarHBondContact O-CA 3.34Å; H554-K557 HydrophobicContact CB-CB 4.13Å; H554-K557 HydrophobicContact CB-CD 4.31Å; H554-K557 HydrophobicContact CB-CG 4.36Å; H554-K557 PolarHBondContact O-N 3.49Å; E555-K557 PolarHBondContact O-N 2.72Å
558	D	95	Very high	96.4	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-126.2	18.8	-170.5	66.4	-21.4	0	0	0	114.1	Y279 R284 R553 H554 I560	Y279-D558 HydrophobicContact CD1-CB 3.62Å; Y279-D558 HydrophobicContact CD2-CB 4.45Å; Y279-D558 HydrophobicContact CE1-CB 3.41Å; Y279-D558 VanDerWaalsContact CE1-CB 3.41Å; Y279-D558 HydrophobicContact CE2-CB 4.29Å; Y279-D558 HydrophobicContact CG-CB 4.15Å; R284-D558 IonicContact CZ-OD2 2.9Å; R284-D558 IonicContact NH2-OD2 3.13Å; R284-D558 PolarHBondContact NH2-OD2 3.09Å; R553-D558 WeakPolarHBondContact CB-OD2 3.36Å; R553-D558 WeakPolarHBondContact CG-OD2 3.28Å; R553-D558 PolarHBondContact N-OD1 2.79Å; R553-D558 PolarHBondContact N-OD2 3.06Å; R553-D558 VanDerWaalsContact N-OD2 3.14Å; H554-D558 PolarHBondContact N-OD1 3.01Å; H554-D558 PolarHBondContact O-N 3.37Å; D558-I560 VanDerWaalsContact C-N 3.29Å; D558-I560 PolarHBondContact O-N 3.34Å
559	F	96.2	Very high	96.4	Very high	16 Å²	16	46 Å²	46	7%	0.07	23%	0.226	C	C	.	.			trans	-75.7	80.8	166	-167.6	-179	0	0	0	111.2	F550 E555 L565 M576 T578 F580	F550-F559 AromaticContact CD1-CD2 3.89Å; F550-F559 HydrophobicContact CD1-CD2 3.89Å; F550-F559 AromaticContact CD1-CE2 3.68Å; F550-F559 HydrophobicContact CD1-CE2 3.68Å; F550-F559 AromaticContact CE1-CD2 3.54Å; F550-F559 HydrophobicContact CE1-CD2 3.54Å; F550-F559 AromaticContact CE1-CE2 3.82Å; F550-F559 HydrophobicContact CE1-CE2 3.82Å; E555-F559 HydrophobicContact CG-CD1 4.05Å; E555-F559 VanDerWaalsContact O-CB 3.23Å; E555-F559 WeakPolarHBondContact O-CB 3.33Å; F559-L565 HydrophobicContact CE2-CD1 3.69Å; F559-L565 HydrophobicContact CZ-CD1 4.34Å; F559-M576 HydrophobicContact CE2-SD 4.45Å; F559-M576 HydrophobicContact CZ-CE 3.92Å; F559-M576 HydrophobicContact CZ-SD 3.95Å; F559-T578 HydrophobicContact CE1-CG2 4.19Å; F559-T578 HydrophobicContact CE2-CG2 4.47Å; F559-T578 HydrophobicContact CZ-CG2 3.85Å; F559-F580 HydrophobicContact CD1-CE1 4.13Å; F559-F580 HydrophobicContact CD1-CZ 4.08Å; F559-F580 HydrophobicContact CE1-CZ 4.22Å; F559-F580 HydrophobicContact CG-CE1 4.4Å
560	I	97.2	Very high	96.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	141.4	179.7	58	169.9	0	0	0	111.9	L278 Y279 T458 L522 F550 D558 S562	L278-I560 HydrophobicContact CB-CB 4.41Å; L278-I560 HydrophobicContact CB-CG2 3.77Å; L278-I560 HydrophobicContact CD1-CB 4.33Å; L278-I560 HydrophobicContact CD1-CG2 4.19Å; Y279-I560 HydrophobicContact CD1-CG2 3.73Å; Y279-I560 HydrophobicContact CE1-CG2 3.49Å; Y279-I560 VanDerWaalsContact CE1-CG2 3.49Å; T458-I560 HydrophobicContact CG2-CD1 3.92Å; L522-I560 HydrophobicContact CB-CD1 4.17Å; L522-I560 HydrophobicContact CD2-CD1 3.95Å; L522-I560 HydrophobicContact CD2-CG1 3.75Å; F550-I560 HydrophobicContact CZ-CG1 4Å; D558-I560 VanDerWaalsContact C-N 3.29Å; D558-I560 PolarHBondContact O-N 3.34Å; I560-S562 PolarHBondContact O-N 2.89Å
561	Y	97.7	Very high	96.2	Very high	27 Å²	27	54.6 Å²	54.6	11%	0.106	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	29	179.1	-51.4	-72.8	0	0	0	114.7	L278 H288 T458 L522 D563 E564 L565	L278-Y561 HydrophobicContact CD1-CE1 4.39Å; L278-Y561 HydrophobicContact CD1-CE2 3.85Å; L278-Y561 HydrophobicContact CD2-CD1 4.18Å; L278-Y561 HydrophobicContact CD2-CE1 3.75Å; L278-Y561 HydrophobicContact CD2-CE2 4.47Å; H288-Y561 HydrophobicContact CB-CE1 4.5Å; H288-Y561 PolarHBondContact ND1-OH 2.74Å; T458-Y561 HydrophobicContact CG2-CE2 3.81Å; T458-Y561 PolarHBondContact OG1-OH 2.74Å; L522-Y561 HydrophobicContact CD2-CD2 4.07Å; Y561-D563 VanDerWaalsContact C-N 3.26Å; Y561-D563 PolarHBondContact O-N 3.25Å; Y561-E564 PolarHBondContact O-N 2.83Å; Y561-L565 WeakPolarHBondContact O-CG 3.07Å; Y561-L565 PolarHBondContact O-N 2.67Å
562	S	96.7	Very high	96.1	Very high	29 Å²	29	57.2 Å²	57.2	20%	0.203	31%	0.31	C	S	.	.	H	α-helix	trans	-52.8	-42	-177.2	58.4	0	0	0	0	113.3	I560 L565 K566	I560-S562 PolarHBondContact O-N 2.89Å; S562-L565 PolarHBondContact O-N 3.23Å; S562-K566 WeakPolarHBondContact O-CB 3.11Å; S562-K566 WeakPolarHBondContact O-CG 3.01Å; S562-K566 PolarHBondContact O-N 2.91Å
563	D	96.8	Very high	96.2	Very high	121 Å²	121	58 Å²	58	65%	0.647	31%	0.313	S	S	*	.	H	α-helix	trans	-73	-42.6	-174.4	-59	-16.2	0	0	0	111.3	Y561 L565 K566 Q567	Y561-D563 VanDerWaalsContact C-N 3.26Å; Y561-D563 PolarHBondContact O-N 3.25Å; D563-L565 VanDerWaalsContact C-N 3.33Å; D563-L565 PolarHBondContact O-N 3.25Å; D563-K566 PolarHBondContact O-N 2.82Å; D563-Q567 WeakPolarHBondContact O-CB 2.9Å; D563-Q567 PolarHBondContact O-N 2.98Å
564	E	97.3	Very high	96.4	Very high	52 Å²	52	54.4 Å²	54.4	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-42.7	173.6	-177.8	177.6	174.7	0	0	110.9	R526 Q530 Y561 Q567 A568	R526-E564 IonicContact CZ-OE1 3.4Å; R526-E564 IonicContact CZ-OE2 2.97Å; R526-E564 VanDerWaalsContact CZ-OE2 3.24Å; R526-E564 IonicContact NE-OE1 3.37Å; R526-E564 PolarHBondContact NE-OE1 2.98Å; R526-E564 IonicContact NE-OE2 3.42Å; R526-E564 PolarHBondContact NE-OE2 3.33Å; R526-E564 IonicContact NH2-OE1 2.67Å; R526-E564 PolarHBondContact NH2-OE1 3.13Å; R526-E564 IonicContact NH2-OE2 3.76Å; R526-E564 PolarHBondContact NH2-OE2 2.66Å; Q530-E564 PolarHBondContact NE2-OE1 3.06Å; Y561-E564 PolarHBondContact O-N 2.83Å; E564-Q567 PolarHBondContact O-N 3.23Å; E564-A568 WeakPolarHBondContact O-CB 3.41Å; E564-A568 PolarHBondContact O-N 2.89Å
565	L	98	Very high	96.6	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-68.9	-41.8	178.3	-69.5	174.1	0	0	0	112.6	L522 I529 L548 F559 Y561 S562 D563 Q567 A568 C569 L574 M576	L522-L565 HydrophobicContact CD1-CD1 4.39Å; L522-L565 HydrophobicContact CD2-CD1 3.94Å; I529-L565 HydrophobicContact CD1-CD2 3.65Å; L548-L565 HydrophobicContact CD2-CD1 4.38Å; L548-L565 HydrophobicContact CD2-CD2 3.88Å; F559-L565 HydrophobicContact CE2-CD1 3.69Å; F559-L565 HydrophobicContact CZ-CD1 4.34Å; Y561-L565 WeakPolarHBondContact O-CG 3.07Å; Y561-L565 PolarHBondContact O-N 2.67Å; S562-L565 PolarHBondContact O-N 3.23Å; D563-L565 VanDerWaalsContact C-N 3.33Å; D563-L565 PolarHBondContact O-N 3.25Å; L565-Q567 VanDerWaalsContact C-N 3.33Å; L565-A568 WeakPolarHBondContact O-CB 3.01Å; L565-A568 PolarHBondContact O-N 3.01Å; L565-C569 PolarHBondContact O-N 3.33Å; L565-C569 PolarHBondContact O-SG 3.39Å; L565-L574 HydrophobicContact CD2-CD2 4.36Å; L565-M576 HydrophobicContact CB-SD 3.97Å; L565-M576 HydrophobicContact CD1-SD 4.03Å; L565-M576 HydrophobicContact CG-SD 4.5Å
566	K	97.7	Very high	96.7	Very high	103 Å²	103	53.5 Å²	53.5	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175.4	-75.2	170.8	-178.1	179.7	0	111.2	S562 D563 C569 S570	S562-K566 WeakPolarHBondContact O-CB 3.11Å; S562-K566 WeakPolarHBondContact O-CG 3.01Å; S562-K566 PolarHBondContact O-N 2.91Å; D563-K566 PolarHBondContact O-N 2.82Å; K566-C569 WeakPolarHBondContact O-CB 3.46Å; K566-C569 PolarHBondContact O-N 3.06Å; K566-S570 PolarHBondContact O-N 3.33Å; K566-S570 VanDerWaalsContact O-N 3.17Å
567	Q	97.5	Very high	96.9	Very high	140 Å²	140	49.9 Å²	49.9	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-64.7	-39.4	173.2	-173.7	-179.6	9.6	0	0	112	D563 E564 L565 C569 S570	D563-Q567 WeakPolarHBondContact O-CB 2.9Å; D563-Q567 PolarHBondContact O-N 2.98Å; E564-Q567 PolarHBondContact O-N 3.23Å; L565-Q567 VanDerWaalsContact C-N 3.33Å; Q567-C569 VanDerWaalsContact C-N 3.31Å; Q567-C569 PolarHBondContact O-N 2.9Å; Q567-S570 PolarHBondContact O-N 3.29Å; Q567-S570 PolarHBondContact O-OG 3.04Å
568	A	97.7	Very high	97.1	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-39.3	174	0	0	0	0	0	111.9	I529 L533 E564 L565 S570 T571 L574	I529-A568 HydrophobicContact CG2-CB 3.69Å; L533-A568 HydrophobicContact CD1-CB 3.8Å; E564-A568 WeakPolarHBondContact O-CB 3.41Å; E564-A568 PolarHBondContact O-N 2.89Å; L565-A568 WeakPolarHBondContact O-CB 3.01Å; L565-A568 PolarHBondContact O-N 3.01Å; A568-S570 VanDerWaalsContact C-N 3.34Å; A568-S570 PolarHBondContact O-N 3.08Å; A568-T571 WeakPolarHBondContact O-CB 3.24Å; A568-T571 PolarHBondContact O-N 2.98Å; A568-T571 PolarHBondContact O-OG1 3.07Å; A568-L574 HydrophobicContact CB-CB 4.31Å; A568-L574 HydrophobicContact CB-CD2 3.62Å
569	C	98	Very high	97.1	Very high	36 Å²	36	47.6 Å²	47.6	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-36.8	176.8	-64.2	0	0	0	0	112.6	L565 K566 Q567 T571 G572 L574	L565-C569 PolarHBondContact O-N 3.33Å; L565-C569 PolarHBondContact O-SG 3.39Å; K566-C569 WeakPolarHBondContact O-CB 3.46Å; K566-C569 PolarHBondContact O-N 3.06Å; Q567-C569 VanDerWaalsContact C-N 3.31Å; Q567-C569 PolarHBondContact O-N 2.9Å; C569-T571 PolarHBondContact O-N 3.42Å; C569-T571 VanDerWaalsContact O-N 3.12Å; C569-G572 PolarHBondContact O-N 3.41Å; C569-L574 WeakPolarHBondContact CA-O 3.47Å
570	S	97	Very high	97.1	Very high	100 Å²	100	48.3 Å²	48.3	70%	0.699	27%	0.271	S	S	*	.	H	α-helix	trans	-66.3	-14.6	-179.5	72.2	0	0	0	0	114	K566 Q567 A568 G572	K566-S570 PolarHBondContact O-N 3.33Å; K566-S570 VanDerWaalsContact O-N 3.17Å; Q567-S570 PolarHBondContact O-N 3.29Å; Q567-S570 PolarHBondContact O-OG 3.04Å; A568-S570 VanDerWaalsContact C-N 3.34Å; A568-S570 PolarHBondContact O-N 3.08Å; S570-G572 PolarHBondContact O-N 2.84Å
571	T	94.8	Very high	97	Very high	80 Å²	80	49 Å²	49	49%	0.491	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.6	172.2	72.6	0	0	0	0	113.6	L533 A568 C569 L573	L533-T571 HydrophobicContact CD2-CG2 3.85Å; L533-T571 WeakPolarHBondContact CD2-OG1 3.42Å; A568-T571 WeakPolarHBondContact O-CB 3.24Å; A568-T571 PolarHBondContact O-N 2.98Å; A568-T571 PolarHBondContact O-OG1 3.07Å; C569-T571 PolarHBondContact O-N 3.42Å; C569-T571 VanDerWaalsContact O-N 3.12Å; T571-L573 PolarHBondContact O-N 3.16Å; T571-L573 WeakPolarHBondContact OG1-CB 3.09Å; T571-L573 PolarHBondContact OG1-N 3.1Å
572	G	94.9	Very high	96.8	Very high	64 Å²	64	53.5 Å²	53.5	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-3.5	-172.9	0	0	0	0	0	114.7	C569 S570	C569-G572 PolarHBondContact O-N 3.41Å; S570-G572 PolarHBondContact O-N 2.84Å
573	L	95.7	Very high	96.6	Very high	25 Å²	25	55.1 Å²	55.1	13%	0.131	30%	0.299	C	S	.	.	S	Bend	trans	-83.4	-28.2	178.7	-171	62.6	0	0	0	112.9	R532 L533 A536 T543 M546 T571	R532-L573 HydrophobicContact CB-CD2 4.36Å; L533-L573 HydrophobicContact CD2-CB 4.42Å; L533-L573 HydrophobicContact CD2-CD2 4.09Å; A536-L573 HydrophobicContact CB-CD2 3.92Å; T543-L573 HydrophobicContact CG2-CD1 3.98Å; T543-L573 HydrophobicContact CG2-CD2 4.04Å; M546-L573 HydrophobicContact CE-CB 4.37Å; M546-L573 HydrophobicContact CE-CD2 3.8Å; M546-L573 HydrophobicContact CE-CG 3.78Å; M546-L573 PolarHBondContact N-O 3.11Å; T571-L573 PolarHBondContact O-N 3.16Å; T571-L573 WeakPolarHBondContact OG1-CB 3.09Å; T571-L573 PolarHBondContact OG1-N 3.1Å
574	L	98.2	Very high	96.1	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	178	-179.7	66.7	0	0	0	110.3	M515 I529 M546 L548 L565 A568 C569	M515-L574 HydrophobicContact CE-CD1 4.21Å; I529-L574 HydrophobicContact CD1-CD1 4.15Å; I529-L574 HydrophobicContact CD1-CD2 3.86Å; I529-L574 HydrophobicContact CG1-CD1 4.26Å; I529-L574 HydrophobicContact CG1-CD2 4.37Å; I529-L574 HydrophobicContact CG2-CD2 4.42Å; M546-L574 HydrophobicContact CB-CD1 3.71Å; M546-L574 HydrophobicContact CE-CB 4.28Å; M546-L574 WeakPolarHBondContact O-CA 3.37Å; L548-L574 HydrophobicContact CB-CD1 3.91Å; L565-L574 HydrophobicContact CD2-CD2 4.36Å; A568-L574 HydrophobicContact CB-CB 4.31Å; A568-L574 HydrophobicContact CB-CD2 3.62Å; C569-L574 WeakPolarHBondContact CA-O 3.47Å
575	E	98	Very high	95.5	Very high	74 Å²	74	58 Å²	58	35%	0.346	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131	164.3	-165.6	172.4	-175.2	0	0	108.5	Q545 M546 V547 L548 F577 M602	Q545-E575 PolarHBondContact NE2-OE2 3Å; M546-E575 PolarHBondContact O-N 3.33Å; V547-E575 CarbonylContact C-O 3.56Å; V547-E575 WeakPolarHBondContact CA-O 3.46Å; L548-E575 PolarHBondContact N-O 2.73Å; E575-F577 HydrophobicContact CB-CE2 4.48Å; E575-F577 HydrophobicContact CG-CE2 3.68Å; E575-F577 HydrophobicContact CG-CZ 3.81Å; E575-F577 WeakPolarHBondContact OE1-CZ 3.26Å; E575-M602 VanDerWaalsContact OE2-SD 3.34Å
576	M	98.2	Very high	95	Very high	44 Å²	44	63 Å²	63	22%	0.217	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.3	-171.9	-178.3	-175	59	0	0	111.5	L548 F559 L565 T578	L548-M576 HydrophobicContact CB-CG 4.37Å; L548-M576 HydrophobicContact CD2-CG 4.13Å; L548-M576 HydrophobicContact CD2-SD 4.24Å; L548-M576 HydrophobicContact CG-CG 4.36Å; L548-M576 CarbonylContact O-C 3.55Å; L548-M576 WeakPolarHBondContact O-CA 3.29Å; F559-M576 HydrophobicContact CE2-SD 4.45Å; F559-M576 HydrophobicContact CZ-CE 3.92Å; F559-M576 HydrophobicContact CZ-SD 3.95Å; L565-M576 HydrophobicContact CB-SD 3.97Å; L565-M576 HydrophobicContact CD1-SD 4.03Å; L565-M576 HydrophobicContact CG-SD 4.5Å; M576-T578 HydrophobicContact CE-CG2 4.29Å; M576-T578 HydrophobicContact CG-CG2 4.33Å; M576-T578 HydrophobicContact SD-CG2 4.22Å
577	F	98.2	Very high	94.4	Very high	36 Å²	36	60.9 Å²	60.9	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	175.5	-58.7	-85.1	0	0	0	109.5	V547 L548 F549 F550 E575 K595 M599 M602	V547-F577 HydrophobicContact CG1-CD2 4.11Å; V547-F577 HydrophobicContact CG1-CE2 4Å; L548-F577 PolarHBondContact O-N 3.34Å; F549-F577 CarbonylContact C-O 3.6Å; F549-F577 WeakPolarHBondContact CA-O 3.39Å; F549-F577 HydrophobicContact CD1-CB 3.66Å; F549-F577 HydrophobicContact CD1-CD2 4.15Å; F549-F577 HydrophobicContact CD1-CG 4.17Å; F549-F577 HydrophobicContact CE1-CB 3.83Å; F549-F577 AromaticContact CE1-CD2 3.67Å; F549-F577 HydrophobicContact CE1-CD2 3.67Å; F549-F577 HydrophobicContact CE1-CE2 4.5Å; F549-F577 AromaticContact CE1-CG 3.84Å; F549-F577 HydrophobicContact CE1-CG 3.84Å; F549-F577 AromaticContact CZ-CD2 3.95Å; F549-F577 HydrophobicContact CZ-CD2 3.95Å; F549-F577 HydrophobicContact CZ-CE2 4.44Å; F550-F577 PolarHBondContact N-O 3.06Å; E575-F577 HydrophobicContact CB-CE2 4.48Å; E575-F577 HydrophobicContact CG-CE2 3.68Å; E575-F577 HydrophobicContact CG-CZ 3.81Å; E575-F577 WeakPolarHBondContact OE1-CZ 3.26Å; F577-K595 HydrophobicContact CB-CB 4.49Å; F577-M599 HydrophobicContact CD1-CG 3.72Å; F577-M599 HydrophobicContact CD1-SD 3.97Å; F577-M599 HydrophobicContact CD2-CG 4.37Å; F577-M599 HydrophobicContact CE1-CE 4.44Å; F577-M599 HydrophobicContact CE1-CG 3.56Å; F577-M599 HydrophobicContact CE1-SD 3.31Å; F577-M599 WeakPolarHBondContact CE1-SD 3.09Å; F577-M599 HydrophobicContact CE2-CG 4.25Å; F577-M599 HydrophobicContact CG-CG 4.12Å; F577-M599 HydrophobicContact CZ-CG 3.83Å; F577-M599 HydrophobicContact CZ-SD 3.74Å; F577-M602 HydrophobicContact CD2-CE 4.46Å; F577-M602 HydrophobicContact CE2-CE 3.55Å; F577-M602 HydrophobicContact CE2-SD 4.33Å; F577-M602 HydrophobicContact CZ-CE 3.96Å; F577-M602 HydrophobicContact CZ-SD 4.38Å
578	T	97.5	Very high	94.1	Very high	37 Å²	37	59.1 Å²	59.1	23%	0.227	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.6	-178.4	52.4	0	0	0	0	112.5	F550 F559 M576 F580 K595	F550-T578 CarbonylContact O-C 3.51Å; F550-T578 VanDerWaalsContact O-CA 3.24Å; F550-T578 WeakPolarHBondContact O-CA 3.45Å; F559-T578 HydrophobicContact CE1-CG2 4.19Å; F559-T578 HydrophobicContact CE2-CG2 4.47Å; F559-T578 HydrophobicContact CZ-CG2 3.85Å; M576-T578 HydrophobicContact CE-CG2 4.29Å; M576-T578 HydrophobicContact CG-CG2 4.33Å; M576-T578 HydrophobicContact SD-CG2 4.22Å; T578-F580 HydrophobicContact CG2-CE1 4.36Å; T578-F580 HydrophobicContact CG2-CZ 3.99Å; T578-F580 WeakPolarHBondContact OG1-CE2 3.08Å; T578-F580 WeakPolarHBondContact OG1-CZ 3.14Å; T578-K595 VanDerWaalsContact O-CE 3.31Å; T578-K595 WeakPolarHBondContact O-CE 3.43Å
579	A	96.6	Very high	93.9	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	100.9	173.5	0	0	0	0	0	109.8	F550 G551 C552 S581 V590 Y591 V592 K595	F550-A579 PolarHBondContact O-N 3Å; G551-A579 VanDerWaalsContact CA-O 3.3Å; G551-A579 WeakPolarHBondContact CA-O 3.17Å; C552-A579 PolarHBondContact N-O 3.01Å; C552-A579 VanDerWaalsContact N-O 3.08Å; A579-S581 PolarHBondContact O-N 2.58Å; A579-V590 HydrophobicContact CB-CG1 4.11Å; A579-Y591 VanDerWaalsContact CB-C 3.45Å; A579-V592 HydrophobicContact CB-CG1 4.3Å; A579-K595 HydrophobicContact CB-CG 4.04Å
580	F	96.2	Very high	93.7	Very high	31 Å²	31	64.6 Å²	64.6	14%	0.136	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	96.3	178	-55.5	-54.8	0	0	0	110.2	C552 E555 F559 T578 R582 D583	C552-F580 VanDerWaalsContact SG-CD1 3.52Å; E555-F580 HydrophobicContact CB-CD1 4.1Å; E555-F580 HydrophobicContact CB-CD2 4.12Å; E555-F580 HydrophobicContact CB-CE1 3.79Å; E555-F580 HydrophobicContact CB-CE2 3.79Å; E555-F580 HydrophobicContact CB-CG 4.27Å; E555-F580 HydrophobicContact CB-CZ 3.63Å; E555-F580 HydrophobicContact CG-CE1 4.08Å; E555-F580 HydrophobicContact CG-CE2 3.93Å; E555-F580 HydrophobicContact CG-CZ 3.56Å; F559-F580 HydrophobicContact CD1-CE1 4.13Å; F559-F580 HydrophobicContact CD1-CZ 4.08Å; F559-F580 HydrophobicContact CE1-CZ 4.22Å; F559-F580 HydrophobicContact CG-CE1 4.4Å; T578-F580 HydrophobicContact CG2-CE1 4.36Å; T578-F580 HydrophobicContact CG2-CZ 3.99Å; T578-F580 WeakPolarHBondContact OG1-CE2 3.08Å; T578-F580 WeakPolarHBondContact OG1-CZ 3.14Å; F580-R582 PolarHBondContact O-N 2.79Å; F580-D583 HydrophobicContact CB-CB 3.83Å; F580-D583 VanDerWaalsContact CB-OD2 3.31Å; F580-D583 WeakPolarHBondContact CB-OD2 3.17Å; F580-D583 PolarHBondContact O-N 3.03Å
581	S	93.9	Very high	93.6	Very high	16 Å²	16	64.3 Å²	64.3	11%	0.112	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.2	-168.7	58.2	0	0	0	0	115.6	C552 R553 A579 K589 V590	C552-S581 PolarHBondContact O-N 2.84Å; C552-S581 PolarHBondContact O-OG 3.12Å; R553-S581 PolarHBondContact O-N 3.06Å; A579-S581 PolarHBondContact O-N 2.58Å; S581-K589 WeakPolarHBondContact O-CG 3.33Å; S581-V590 VanDerWaalsContact CA-O 3.25Å; S581-V590 WeakPolarHBondContact CA-O 3.4Å; S581-V590 WeakPolarHBondContact CB-O 3.44Å
582	R	93.1	Very high	93.7	Very high	122 Å²	122	60.6 Å²	60.6	46%	0.46	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	14.6	-176	-54.1	-171.3	-176.4	-163.9	-6.5	114.2	R553 H554 F580	R553-R582 HydrophobicContact CB-CG 4.22Å; R553-R582 VanDerWaalsContact CD-CZ 3.5Å; R553-R582 VanDerWaalsContact CZ-NH2 3.31Å; R553-R582 WeakPolarHBondContact O-CB 3.42Å; R553-R582 PolarHBondContact O-N 3.31Å; H554-R582 WeakPolarHBondContact CE1-CB 3.32Å; H554-R582 PolarHBondContact CE1-O 3.39Å; F580-R582 PolarHBondContact O-N 2.79Å
583	D	92.5	Very high	93.7	Very high	62 Å²	62	58.7 Å²	58.7	33%	0.332	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-13.4	179.3	-72.2	-11.7	0	0	0	113.2	H554 E555 F580 L585	H554-D583 WeakPolarHBondContact CA-OD1 3.23Å; H554-D583 WeakPolarHBondContact CA-OD2 3.35Å; H554-D583 WeakPolarHBondContact CB-OD1 3.34Å; H554-D583 IonicContact CE1-OD1 3.68Å; H554-D583 IonicContact CG-OD1 2.74Å; H554-D583 IonicContact ND1-OD1 3.7Å; H554-D583 PolarHBondContact ND1-OD1 3.5Å; E555-D583 PolarHBondContact N-OD2 2.76Å; F580-D583 HydrophobicContact CB-CB 3.83Å; F580-D583 VanDerWaalsContact CB-OD2 3.31Å; F580-D583 WeakPolarHBondContact CB-OD2 3.17Å; F580-D583 PolarHBondContact O-N 3.03Å; D583-L585 PolarHBondContact O-N 2.73Å
584	C	87.6	Confident	93.7	Very high	48 Å²	48	61.5 Å²	61.5	32%	0.324	32%	0.318	S	S	.	.			trans	-69	126.4	177.2	-59.6	0	0	0	0	111.2	D586 G587 N588	C584-D586 VanDerWaalsContact C-N 3.27Å; C584-D586 VanDerWaalsContact CB-OD1 3.26Å; C584-D586 WeakPolarHBondContact CB-OD1 3.14Å; C584-D586 PolarHBondContact O-N 3.4Å; C584-G587 PolarHBondContact O-N 3.3Å; C584-N588 VanDerWaalsContact CB-O 3.23Å; C584-N588 WeakPolarHBondContact CB-O 3.22Å
585	L	85.2	Confident	93.7	Very high	185 Å²	185	63.4 Å²	63.4	97%	0.969	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	-176.6	-63.9	174.4	0	0	0	113.4	D583 G587	D583-L585 PolarHBondContact O-N 2.73Å; L585-G587 PolarHBondContact O-N 2.95Å
586	D	87.3	Confident	93.6	Very high	110 Å²	110	59.9 Å²	59.9	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-4	177.3	64.6	-4.8	0	0	0	113.2	C584 N588	C584-D586 VanDerWaalsContact C-N 3.27Å; C584-D586 VanDerWaalsContact CB-OD1 3.26Å; C584-D586 WeakPolarHBondContact CB-OD1 3.14Å; C584-D586 PolarHBondContact O-N 3.4Å; D586-N588 VanDerWaalsContact C-N 3.25Å; D586-N588 VanDerWaalsContact CG-ND2 3.34Å; D586-N588 PolarHBondContact O-N 3.18Å; D586-N588 WeakPolarHBondContact OD1-CB 3.32Å; D586-N588 PolarHBondContact OD1-N 2.87Å; D586-N588 PolarHBondContact OD2-ND2 3.26Å
587	G	84.8	Confident	93.5	Very high	59 Å²	59	60.2 Å²	60.2	61%	0.608	31%	0.312	S	S	*	.			trans	80.2	-2.2	-177.3	0	0	0	0	0	114.6	C584 L585	C584-G587 PolarHBondContact O-N 3.3Å; L585-G587 PolarHBondContact O-N 2.95Å
588	N	90.1	Very high	93.4	Very high	104 Å²	104	64 Å²	64	56%	0.556	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-71.3	132.7	177.6	-73.5	-38.8	0	0	0	110.6	C584 D586	C584-N588 VanDerWaalsContact CB-O 3.23Å; C584-N588 WeakPolarHBondContact CB-O 3.22Å; D586-N588 VanDerWaalsContact C-N 3.25Å; D586-N588 VanDerWaalsContact CG-ND2 3.34Å; D586-N588 PolarHBondContact O-N 3.18Å; D586-N588 WeakPolarHBondContact OD1-CB 3.32Å; D586-N588 PolarHBondContact OD1-N 2.87Å; D586-N588 PolarHBondContact OD2-ND2 3.26Å
589	K	93.7	Very high	93.4	Very high	116 Å²	116	64.4 Å²	64.4	50%	0.504	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-88.7	124.6	-179.7	-60	-172.2	-177.4	160.5	0	110.6	S581 Y591 H594	S581-K589 WeakPolarHBondContact O-CG 3.33Å; K589-Y591 HydrophobicContact CB-CD2 4.43Å; K589-Y591 HydrophobicContact CB-CE2 3.65Å; K589-Y591 HydrophobicContact CD-CE2 4.46Å; K589-Y591 WeakPolarHBondContact CD-OH 3.21Å; K589-H594 PolarHBondContact O-CE1 3.11Å
590	V	94	Very high	93.4	Very high	36 Å²	36	64.4 Å²	64.4	22%	0.218	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-99.4	129.1	173.4	-177.6	0	0	0	0	110.1	A579 S581 H594 K595	A579-V590 HydrophobicContact CB-CG1 4.11Å; S581-V590 VanDerWaalsContact CA-O 3.25Å; S581-V590 WeakPolarHBondContact CA-O 3.4Å; S581-V590 WeakPolarHBondContact CB-O 3.44Å; V590-H594 HydrophobicContact CG1-CB 4.4Å; V590-K595 HydrophobicContact CG1-CG 4.46Å
591	Y	95.3	Very high	93.4	Very high	94 Å²	94	68.1 Å²	68.1	37%	0.369	35%	0.351	S	S	.	.			trans	-122.8	169	179.1	-60.2	-72.6	0	0	0	111.1	A579 K589 Q593 H594 K595	A579-Y591 VanDerWaalsContact CB-C 3.45Å; K589-Y591 HydrophobicContact CB-CD2 4.43Å; K589-Y591 HydrophobicContact CB-CE2 3.65Å; K589-Y591 HydrophobicContact CD-CE2 4.46Å; K589-Y591 WeakPolarHBondContact CD-OH 3.21Å; Y591-Q593 VanDerWaalsContact C-N 3.29Å; Y591-Q593 VanDerWaalsContact CB-CD 3.47Å; Y591-Q593 PolarHBondContact O-N 2.92Å; Y591-H594 AromaticContact CD2-CE1 3.83Å; Y591-H594 PolarHBondContact N-ND1 3Å; Y591-H594 WeakPolarHBondContact O-CB 3.22Å; Y591-H594 PolarHBondContact O-N 3.29Å; Y591-K595 PolarHBondContact O-N 3.29Å
592	V	96.5	Very high	93.5	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-35.6	-175.6	-67.3	0	0	0	0	113.1	I516 A517 G551 A579 H594 K595 V596 M623 V627	I516-V592 HydrophobicContact CG2-CB 4.02Å; I516-V592 HydrophobicContact CG2-CG2 3.81Å; A517-V592 WeakPolarHBondContact O-CG1 3.35Å; G551-V592 VanDerWaalsContact N-CG1 3.33Å; A579-V592 HydrophobicContact CB-CG1 4.3Å; V592-H594 VanDerWaalsContact C-N 3.25Å; V592-H594 PolarHBondContact O-N 2.87Å; V592-K595 PolarHBondContact O-N 3Å; V592-K595 VanDerWaalsContact O-N 3.12Å; V592-V596 WeakPolarHBondContact O-CG2 3.38Å; V592-V596 PolarHBondContact O-N 2.86Å; V592-M623 HydrophobicContact CG2-CG 3.88Å; V592-M623 HydrophobicContact CG2-SD 4.07Å; V592-V627 HydrophobicContact CG2-CG2 3.92Å
593	Q	95.2	Very high	93.7	Very high	23 Å²	23	63.5 Å²	63.5	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-32.2	176.3	66.2	-84.6	21	0	0	112.6	Y591 V596 L597 D626 V627 C630	Y591-Q593 VanDerWaalsContact C-N 3.29Å; Y591-Q593 VanDerWaalsContact CB-CD 3.47Å; Y591-Q593 PolarHBondContact O-N 2.92Å; Q593-V596 PolarHBondContact O-N 3.42Å; Q593-L597 WeakPolarHBondContact O-CG 3.15Å; Q593-L597 PolarHBondContact O-N 2.8Å; Q593-L597 VanDerWaalsContact O-N 3.09Å; Q593-D626 HydrophobicContact CG-CB 4.47Å; Q593-V627 HydrophobicContact CB-CG2 4.5Å; Q593-C630 HydrophobicContact CB-CB 3.75Å; Q593-C630 PolarHBondContact O-SG 2.81Å
594	H	95.7	Very high	93.9	Very high	84 Å²	84	62.1 Å²	62.1	39%	0.389	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-42.8	174.8	-55.5	160.5	0	0	0	110.2	K589 V590 Y591 V592 L597 E598	K589-H594 PolarHBondContact O-CE1 3.11Å; V590-H594 HydrophobicContact CG1-CB 4.4Å; Y591-H594 AromaticContact CD2-CE1 3.83Å; Y591-H594 PolarHBondContact N-ND1 3Å; Y591-H594 WeakPolarHBondContact O-CB 3.22Å; Y591-H594 PolarHBondContact O-N 3.29Å; V592-H594 VanDerWaalsContact C-N 3.25Å; V592-H594 PolarHBondContact O-N 2.87Å; H594-L597 PolarHBondContact O-N 3.22Å; H594-E598 WeakPolarHBondContact O-CB 3.39Å; H594-E598 PolarHBondContact O-N 2.98Å
595	K	97.2	Very high	94.4	Very high	47 Å²	47	65.1 Å²	65.1	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-36.7	176.9	-67.6	-63	178.5	-170.3	0	113.2	F549 F577 T578 A579 V590 Y591 V592 E598 M599	F549-K595 HydrophobicContact CD1-CB 3.81Å; F549-K595 HydrophobicContact CE1-CB 4.22Å; F549-K595 WeakPolarHBondContact CE1-O 3.38Å; F577-K595 HydrophobicContact CB-CB 4.49Å; T578-K595 VanDerWaalsContact O-CE 3.31Å; T578-K595 WeakPolarHBondContact O-CE 3.43Å; A579-K595 HydrophobicContact CB-CG 4.04Å; V590-K595 HydrophobicContact CG1-CG 4.46Å; Y591-K595 PolarHBondContact O-N 3.29Å; V592-K595 PolarHBondContact O-N 3Å; V592-K595 VanDerWaalsContact O-N 3.12Å; K595-E598 VanDerWaalsContact CD-OE2 3.29Å; K595-E598 WeakPolarHBondContact CD-OE2 3.29Å; K595-E598 IonicContact NZ-OE1 2.7Å; K595-E598 IonicContact NZ-OE2 3.37Å; K595-E598 PolarHBondContact NZ-OE2 2.57Å; K595-E598 PolarHBondContact O-N 2.84Å; K595-M599 WeakPolarHBondContact O-CB 3.36Å; K595-M599 WeakPolarHBondContact O-CG 3.44Å; K595-M599 PolarHBondContact O-N 3.08Å
596	V	97.5	Very high	94.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-43.4	174.4	172	0	0	0	0	111.1	I516 F549 V592 Q593 M599 G600 V603 L631 L634	I516-V596 HydrophobicContact CD1-CG2 3.89Å; I516-V596 HydrophobicContact CG1-CG2 4.24Å; F549-V596 HydrophobicContact CB-CG2 4.2Å; F549-V596 HydrophobicContact CD1-CG2 3.8Å; F549-V596 HydrophobicContact CD2-CG2 3.82Å; F549-V596 HydrophobicContact CE1-CG2 4.11Å; F549-V596 HydrophobicContact CE2-CG2 4.11Å; F549-V596 HydrophobicContact CG-CG2 3.66Å; F549-V596 HydrophobicContact CZ-CG2 4.26Å; V592-V596 WeakPolarHBondContact O-CG2 3.38Å; V592-V596 PolarHBondContact O-N 2.86Å; Q593-V596 PolarHBondContact O-N 3.42Å; V596-M599 CarbonylContact O-C 3.58Å; V596-M599 PolarHBondContact O-N 3.37Å; V596-G600 WeakPolarHBondContact O-CA 3.35Å; V596-G600 PolarHBondContact O-N 3.49Å; V596-V603 HydrophobicContact CG1-CG1 4.48Å; V596-L631 HydrophobicContact CG1-CD2 4.48Å; V596-L634 HydrophobicContact CG1-CD1 4.02Å
597	L	96.2	Very high	95.3	Very high	51 Å²	51	51.8 Å²	51.8	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-43.2	175.5	-71.9	172.3	0	0	0	112.5	Q593 H594 M599 G600 C630 E633 L634	Q593-L597 WeakPolarHBondContact O-CG 3.15Å; Q593-L597 PolarHBondContact O-N 2.8Å; Q593-L597 VanDerWaalsContact O-N 3.09Å; H594-L597 PolarHBondContact O-N 3.22Å; L597-M599 PolarHBondContact O-N 3.31Å; L597-G600 WeakPolarHBondContact O-CA 3.46Å; L597-G600 PolarHBondContact O-N 3.1Å; L597-C630 VanDerWaalsContact CG-SG 3.6Å; L597-E633 HydrophobicContact CD2-CG 4.43Å; L597-L634 HydrophobicContact CD2-CB 4.17Å
598	E	96.5	Very high	95.6	Very high	115 Å²	115	52.3 Å²	52.3	54%	0.537	25%	0.25	S	C	.	.	H	α-helix	trans	-54	-44.3	176.1	-164.4	-170.3	135.4	0	0	110.6	H594 K595 G600	H594-E598 WeakPolarHBondContact O-CB 3.39Å; H594-E598 PolarHBondContact O-N 2.98Å; K595-E598 VanDerWaalsContact CD-OE2 3.29Å; K595-E598 WeakPolarHBondContact CD-OE2 3.29Å; K595-E598 IonicContact NZ-OE1 2.7Å; K595-E598 IonicContact NZ-OE2 3.37Å; K595-E598 PolarHBondContact NZ-OE2 2.57Å; K595-E598 PolarHBondContact O-N 2.84Å; E598-G600 VanDerWaalsContact C-N 3.27Å; E598-G600 PolarHBondContact O-N 2.8Å
599	M	97.2	Very high	95.8	Very high	46 Å²	46	53.2 Å²	53.2	23%	0.227	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	20.7	178.2	-60.6	-60.4	110.9	0	0	113.6	F549 F577 K595 V596 L597 N601 M602 V603	F549-M599 HydrophobicContact CE1-CB 4.04Å; F549-M599 HydrophobicContact CE1-CG 4.05Å; F549-M599 HydrophobicContact CZ-CB 3.97Å; F549-M599 HydrophobicContact CZ-CG 4.39Å; F577-M599 HydrophobicContact CD1-CG 3.72Å; F577-M599 HydrophobicContact CD1-SD 3.97Å; F577-M599 HydrophobicContact CD2-CG 4.37Å; F577-M599 HydrophobicContact CE1-CE 4.44Å; F577-M599 HydrophobicContact CE1-CG 3.56Å; F577-M599 HydrophobicContact CE1-SD 3.31Å; F577-M599 WeakPolarHBondContact CE1-SD 3.09Å; F577-M599 HydrophobicContact CE2-CG 4.25Å; F577-M599 HydrophobicContact CG-CG 4.12Å; F577-M599 HydrophobicContact CZ-CG 3.83Å; F577-M599 HydrophobicContact CZ-SD 3.74Å; K595-M599 WeakPolarHBondContact O-CB 3.36Å; K595-M599 WeakPolarHBondContact O-CG 3.44Å; K595-M599 PolarHBondContact O-N 3.08Å; V596-M599 CarbonylContact O-C 3.58Å; V596-M599 PolarHBondContact O-N 3.37Å; L597-M599 PolarHBondContact O-N 3.31Å; M599-N601 VanDerWaalsContact C-N 3.27Å; M599-N601 PolarHBondContact O-N 3.25Å; M599-N601 VanDerWaalsContact O-N 3.11Å; M599-M602 HydrophobicContact CB-CE 4.1Å; M599-M602 PolarHBondContact O-N 3.43Å; M599-V603 PolarHBondContact O-N 3.3Å; M599-V603 VanDerWaalsContact O-N 3.09Å
600	G	96.1	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-32.5	-167.2	0	0	0	0	0	115	V596 L597 E598 W604	V596-G600 WeakPolarHBondContact O-CA 3.35Å; V596-G600 PolarHBondContact O-N 3.49Å; L597-G600 WeakPolarHBondContact O-CA 3.46Å; L597-G600 PolarHBondContact O-N 3.1Å; E598-G600 VanDerWaalsContact C-N 3.27Å; E598-G600 PolarHBondContact O-N 2.8Å; G600-W604 VanDerWaalsContact O-CB 3.22Å; G600-W604 WeakPolarHBondContact O-CB 3.26Å; G600-W604 PolarHBondContact O-N 3.38Å
601	N	96.1	Very high	95.9	Very high	109 Å²	109	55.6 Å²	55.6	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-63.6	-46.2	176	-74.5	-20.9	0	0	0	112.3	M599 K605 R638	M599-N601 VanDerWaalsContact C-N 3.27Å; M599-N601 PolarHBondContact O-N 3.25Å; M599-N601 VanDerWaalsContact O-N 3.11Å; N601-K605 WeakPolarHBondContact O-CB 3.3Å; N601-K605 PolarHBondContact O-N 2.88Å; N601-R638 PolarHBondContact OD1-NE 2.96Å; N601-R638 PolarHBondContact OD1-NH1 3.4Å
602	M	96.8	Very high	96	Very high	41 Å²	41	51.1 Å²	51.1	20%	0.202	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-45.9	178.3	-179.7	-167.1	64.4	0	0	110.4	V547 F549 E575 F577 M599 W604 K605 L606	V547-M602 HydrophobicContact CG1-CE 3.68Å; V547-M602 HydrophobicContact CG2-CE 4.13Å; V547-M602 HydrophobicContact CG2-SD 4.33Å; F549-M602 HydrophobicContact CZ-CE 4.2Å; E575-M602 VanDerWaalsContact OE2-SD 3.34Å; F577-M602 HydrophobicContact CD2-CE 4.46Å; F577-M602 HydrophobicContact CE2-CE 3.55Å; F577-M602 HydrophobicContact CE2-SD 4.33Å; F577-M602 HydrophobicContact CZ-CE 3.96Å; F577-M602 HydrophobicContact CZ-SD 4.38Å; M599-M602 HydrophobicContact CB-CE 4.1Å; M599-M602 PolarHBondContact O-N 3.43Å; M602-W604 PolarHBondContact O-N 2.97Å; M602-K605 PolarHBondContact O-N 3.28Å; M602-L606 HydrophobicContact CG-CD1 4.16Å; M602-L606 WeakPolarHBondContact O-CB 3.5Å; M602-L606 WeakPolarHBondContact O-CG 3.39Å; M602-L606 PolarHBondContact O-N 3.08Å
603	V	97.2	Very high	96	Very high	1 Å²	1	53 Å²	53	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-46.6	178.4	171.6	0	0	0	0	110.5	I514 F549 V596 M599 L606 L607 L634	I514-V603 HydrophobicContact CD1-CG1 4.21Å; F549-V603 HydrophobicContact CE2-CG2 3.87Å; F549-V603 HydrophobicContact CZ-CG2 3.69Å; V596-V603 HydrophobicContact CG1-CG1 4.48Å; M599-V603 PolarHBondContact O-N 3.3Å; M599-V603 VanDerWaalsContact O-N 3.09Å; V603-L606 PolarHBondContact O-N 2.81Å; V603-L607 HydrophobicContact CG1-CD1 3.73Å; V603-L607 HydrophobicContact CG1-CG 4.45Å; V603-L607 WeakPolarHBondContact O-CB 3.29Å; V603-L607 WeakPolarHBondContact O-CG 3.31Å; V603-L607 PolarHBondContact O-N 2.9Å; V603-L634 HydrophobicContact CB-CD1 3.86Å; V603-L634 HydrophobicContact CG1-CD1 3.54Å; V603-L634 HydrophobicContact CG1-CD2 4.31Å
604	W	96.5	Very high	96.2	Very high	33 Å²	33	52.1 Å²	52.1	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-49	177.1	-179.9	-111.1	0	0	0	112.4	G600 M602 L606 L607 D608 L634 V635 R638 S639 Y649	G600-W604 VanDerWaalsContact O-CB 3.22Å; G600-W604 WeakPolarHBondContact O-CB 3.26Å; G600-W604 PolarHBondContact O-N 3.38Å; M602-W604 PolarHBondContact O-N 2.97Å; W604-L606 VanDerWaalsContact C-N 3.31Å; W604-L606 PolarHBondContact O-N 3.5Å; W604-L607 PolarHBondContact O-N 3.33Å; W604-D608 HydrophobicContact CD2-CB 4.2Å; W604-D608 HydrophobicContact CH2-CB 4.06Å; W604-D608 HydrophobicContact CZ2-CB 3.69Å; W604-D608 VanDerWaalsContact CZ2-CG 3.46Å; W604-D608 HydrophobicContact CZ3-CB 4.47Å; W604-D608 WeakPolarHBondContact O-CB 3.48Å; W604-D608 PolarHBondContact O-N 3.37Å; W604-L634 HydrophobicContact CB-CD2 4.06Å; W604-L634 HydrophobicContact CE3-CD2 4.04Å; W604-V635 HydrophobicContact CH2-CG1 4.43Å; W604-V635 HydrophobicContact CZ3-CB 4.31Å; W604-V635 HydrophobicContact CZ3-CG1 4.1Å; W604-V635 HydrophobicContact CZ3-CG2 3.96Å; W604-R638 HydrophobicContact CB-CB 3.88Å; W604-R638 HydrophobicContact CB-CG 3.93Å; W604-R638 HydrophobicContact CD2-CB 3.63Å; W604-R638 HydrophobicContact CE3-CB 4.24Å; W604-R638 HydrophobicContact CG-CB 3.42Å; W604-R638 VanDerWaalsContact CG-CB 3.42Å; W604-R638 HydrophobicContact CG-CG 4.05Å; W604-S639 VanDerWaalsContact CZ2-CB 3.46Å; W604-Y649 HydrophobicContact CZ3-CE1 4.1Å
605	K	96.5	Very high	96.3	Very high	111 Å²	111	48.1 Å²	48.1	48%	0.483	23%	0.228	S	C	.	.	H	α-helix	trans	-55.6	-45	176.7	179.1	173.9	-176.2	177	0	112.4	N601 M602 L607 E609 C610	N601-K605 WeakPolarHBondContact O-CB 3.3Å; N601-K605 PolarHBondContact O-N 2.88Å; M602-K605 PolarHBondContact O-N 3.28Å; K605-L607 VanDerWaalsContact C-N 3.31Å; K605-L607 PolarHBondContact O-N 3.22Å; K605-E609 WeakPolarHBondContact CE-OE2 3.48Å; K605-E609 WeakPolarHBondContact O-CB 3.36Å; K605-E609 PolarHBondContact O-N 2.91Å; K605-E609 VanDerWaalsContact O-N 3.1Å; K605-C610 PolarHBondContact O-N 3.49Å
606	L	96.7	Very high	96.2	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-38.3	177.7	-72.8	175	0	0	0	111.7	P512 I514 V547 M602 V603 W604 C610 Y611 A612	P512-L606 HydrophobicContact CB-CD2 3.86Å; P512-L606 HydrophobicContact CG-CD2 4.03Å; I514-L606 HydrophobicContact CD1-CB 3.98Å; I514-L606 HydrophobicContact CD1-CD1 4.32Å; I514-L606 HydrophobicContact CG1-CD1 4.11Å; V547-L606 HydrophobicContact CG2-CD1 3.61Å; M602-L606 HydrophobicContact CG-CD1 4.16Å; M602-L606 WeakPolarHBondContact O-CB 3.5Å; M602-L606 WeakPolarHBondContact O-CG 3.39Å; M602-L606 PolarHBondContact O-N 3.08Å; V603-L606 PolarHBondContact O-N 2.81Å; W604-L606 VanDerWaalsContact C-N 3.31Å; W604-L606 PolarHBondContact O-N 3.5Å; L606-C610 HydrophobicContact CD2-CB 4.42Å; L606-C610 CarbonylContact O-C 3.39Å; L606-C610 WeakPolarHBondContact O-CB 3.47Å; L606-C610 PolarHBondContact O-N 2.81Å; L606-Y611 PolarHBondContact O-N 3.37Å; L606-A612 HydrophobicContact CB-CB 3.94Å; L606-A612 WeakPolarHBondContact O-CB 3.35Å; L606-A612 PolarHBondContact O-N 3.43Å
607	L	94.9	Very high	96.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-75.3	-48.5	-177.6	-69.9	171.1	0	0	0	113.7	I514 V603 W604 K605 A612 I614 R658	I514-L607 HydrophobicContact CD1-CD2 3.83Å; I514-L607 HydrophobicContact CD1-CG 3.87Å; V603-L607 HydrophobicContact CG1-CD1 3.73Å; V603-L607 HydrophobicContact CG1-CG 4.45Å; V603-L607 WeakPolarHBondContact O-CB 3.29Å; V603-L607 WeakPolarHBondContact O-CG 3.31Å; V603-L607 PolarHBondContact O-N 2.9Å; W604-L607 PolarHBondContact O-N 3.33Å; K605-L607 VanDerWaalsContact C-N 3.31Å; K605-L607 PolarHBondContact O-N 3.22Å; L607-A612 HydrophobicContact CD2-CB 4.5Å; L607-I614 HydrophobicContact CD1-CD1 3.89Å; L607-I614 HydrophobicContact CD2-CD1 3.46Å; L607-I614 VanDerWaalsContact CD2-CD1 3.46Å; L607-I614 HydrophobicContact CD2-CG1 3.38Å; L607-I614 HydrophobicContact CG-CD1 4.31Å; L607-R658 PolarHBondContact O-NH2 2.74Å
608	D	92	Very high	95.6	Very high	70 Å²	70	43.5 Å²	43.5	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-84.3	-50.5	-171.4	-164.2	52.9	0	0	0	111.2	W604	W604-D608 HydrophobicContact CD2-CB 4.2Å; W604-D608 HydrophobicContact CH2-CB 4.06Å; W604-D608 HydrophobicContact CZ2-CB 3.69Å; W604-D608 VanDerWaalsContact CZ2-CG 3.46Å; W604-D608 HydrophobicContact CZ3-CB 4.47Å; W604-D608 WeakPolarHBondContact O-CB 3.48Å; W604-D608 PolarHBondContact O-N 3.37Å
609	E	93.5	Very high	95	Very high	123 Å²	123	41 Å²	41	58%	0.575	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-38.8	-176.4	-56.2	174.1	-160.4	0	0	112.7	K605	K605-E609 WeakPolarHBondContact CE-OE2 3.48Å; K605-E609 WeakPolarHBondContact O-CB 3.36Å; K605-E609 PolarHBondContact O-N 2.91Å; K605-E609 VanDerWaalsContact O-N 3.1Å
610	C	94.8	Very high	93.6	Very high	50 Å²	50	39.5 Å²	39.5	34%	0.338	19%	0.191	S	C	.	.	S	Bend	trans	-99.9	3	-171.6	-53.2	0	0	0	0	114.2	P512 K605 L606 A612	P512-C610 HydrophobicContact CG-CB 3.93Å; K605-C610 PolarHBondContact O-N 3.49Å; L606-C610 HydrophobicContact CD2-CB 4.42Å; L606-C610 CarbonylContact O-C 3.39Å; L606-C610 WeakPolarHBondContact O-CB 3.47Å; L606-C610 PolarHBondContact O-N 2.81Å; C610-A612 PolarHBondContact O-N 3.4Å; C610-A612 VanDerWaalsContact O-N 3.14Å
611	Y	95.2	Very high	92.4	Very high	153 Å²	153	41.9 Å²	41.9	60%	0.6	21%	0.211	S	C	*	.			trans	52.4	33.6	-179.1	-64.6	-96.9	0	0	0	114	L606 R658	L606-Y611 PolarHBondContact O-N 3.37Å; Y611-R658 PolarHBondContact O-NE 2.89Å; Y611-R658 PolarHBondContact O-NH2 2.54Å
612	A	97.5	Very high	91.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-59	154	-177.1	0	0	0	0	0	112.7	P512 I514 L606 L607 C610 R658	P512-A612 HydrophobicContact CB-CB 4.01Å; P512-A612 VanDerWaalsContact O-CA 3.31Å; P512-A612 WeakPolarHBondContact O-CA 3.34Å; P512-A612 WeakPolarHBondContact O-CB 3.26Å; I514-A612 HydrophobicContact CD1-CB 4.21Å; L606-A612 HydrophobicContact CB-CB 3.94Å; L606-A612 WeakPolarHBondContact O-CB 3.35Å; L606-A612 PolarHBondContact O-N 3.43Å; L607-A612 HydrophobicContact CD2-CB 4.5Å; C610-A612 PolarHBondContact O-N 3.4Å; C610-A612 VanDerWaalsContact O-N 3.14Å; A612-R658 PolarHBondContact O-NE 3.1Å; A612-R658 PolarHBondContact O-NH2 2.78Å
613	Y	97.8	Very high	91.3	Very high	43 Å²	43	36.7 Å²	36.7	17%	0.169	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.7	170.9	-79.3	-127.1	0	0	0	109.7	P506 I511 P512 V513 I514 Y615 G657 R658	P506-Y613 HydrophobicContact CB-CD2 4.11Å; P506-Y613 HydrophobicContact CB-CE1 4.45Å; P506-Y613 HydrophobicContact CB-CE2 3.96Å; P506-Y613 HydrophobicContact CB-CG 4.43Å; P506-Y613 HydrophobicContact CG-CD1 3.99Å; P506-Y613 HydrophobicContact CG-CD2 3.65Å; P506-Y613 HydrophobicContact CG-CE1 4.35Å; P506-Y613 HydrophobicContact CG-CE2 4.02Å; P506-Y613 HydrophobicContact CG-CG 3.64Å; I511-Y613 HydrophobicContact CD1-CE2 4.39Å; I511-Y613 HydrophobicContact CG2-CD2 3.76Å; I511-Y613 HydrophobicContact CG2-CE2 4.09Å; P512-Y613 PolarHBondContact O-N 3.23Å; P512-Y613 VanDerWaalsContact O-N 3.11Å; V513-Y613 CarbonylContact C-O 3.44Å; V513-Y613 WeakPolarHBondContact CA-O 3.43Å; I514-Y613 PolarHBondContact N-O 3.17Å; Y613-Y615 VanDerWaalsContact CB-CE2 3.48Å; Y613-Y615 HydrophobicContact CD1-CE2 4.44Å; Y613-Y615 HydrophobicContact CG-CE2 4.4Å; Y613-G657 WeakPolarHBondContact CD1-O 3.46Å; Y613-G657 WeakPolarHBondContact CE1-O 3.35Å; Y613-R658 CarbonylContact C-O 3.49Å; Y613-R658 VanDerWaalsContact CA-O 3.24Å; Y613-R658 WeakPolarHBondContact CA-O 3.27Å; Y613-R658 HydrophobicContact CD2-CG 4.17Å; Y613-R658 HydrophobicContact CE1-CG 4.37Å; Y613-R658 HydrophobicContact CE2-CG 3.9Å
614	I	97.7	Very high	90.7	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.7	170.4	-55.8	173.7	0	0	0	108.7	I514 I516 L607 V616 L631 L653 R658 Y659 R660	I514-I614 HydrophobicContact CD1-CG1 4.47Å; I514-I614 CarbonylContact O-C 3.56Å; I514-I614 WeakPolarHBondContact O-CA 3.39Å; I516-I614 HydrophobicContact CD1-CG2 4.26Å; L607-I614 HydrophobicContact CD1-CD1 3.89Å; L607-I614 HydrophobicContact CD2-CD1 3.46Å; L607-I614 VanDerWaalsContact CD2-CD1 3.46Å; L607-I614 HydrophobicContact CD2-CG1 3.38Å; L607-I614 HydrophobicContact CG-CD1 4.31Å; I614-V616 HydrophobicContact CG2-CG2 3.94Å; I614-L631 HydrophobicContact CD1-CD1 3.87Å; I614-L631 HydrophobicContact CD1-CD2 3.86Å; I614-L631 HydrophobicContact CG2-CD1 4.29Å; I614-L653 HydrophobicContact CD1-CD1 4.36Å; I614-R658 PolarHBondContact N-O 3.38Å; I614-Y659 HydrophobicContact CB-CD2 4.04Å; I614-Y659 HydrophobicContact CB-CG 4.37Å; I614-Y659 HydrophobicContact CG2-CD2 3.89Å; I614-Y659 HydrophobicContact CG2-CE2 4.2Å; I614-Y659 CarbonylContact O-C 3.59Å; I614-Y659 WeakPolarHBondContact O-CA 3.21Å; I614-R660 PolarHBondContact O-N 3.49Å
615	Y	97.8	Very high	90.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.8	170.2	-61.5	-92.7	0	0	0	109.4	F503 N504 L505 P506 V513 I514 M515 I516 F525 F528 Y613 R660	F503-Y615 HydrophobicContact CD1-CD1 4.36Å; F503-Y615 HydrophobicContact CD2-CD1 4.1Å; F503-Y615 AromaticContact CE1-CD1 4Å; F503-Y615 HydrophobicContact CE1-CD1 4Å; F503-Y615 AromaticContact CE2-CD1 3.72Å; F503-Y615 HydrophobicContact CE2-CD1 3.72Å; F503-Y615 HydrophobicContact CE2-CG 4.43Å; F503-Y615 HydrophobicContact CG-CD1 4.42Å; F503-Y615 AromaticContact CZ-CD1 3.7Å; F503-Y615 HydrophobicContact CZ-CD1 3.7Å; F503-Y615 HydrophobicContact CZ-CG 4.15Å; N504-Y615 WeakPolarHBondContact O-CE1 3.05Å; N504-Y615 PolarHBondContact O-OH 3.4Å; L505-Y615 WeakPolarHBondContact CA-OH 3.4Å; P506-Y615 VanDerWaalsContact CD-OH 3.31Å; P506-Y615 WeakPolarHBondContact CD-OH 3.5Å; V513-Y615 HydrophobicContact CB-CD2 4.34Å; V513-Y615 HydrophobicContact CB-CE2 4.15Å; V513-Y615 HydrophobicContact CG1-CD2 4.47Å; V513-Y615 HydrophobicContact CG1-CE2 3.79Å; I514-Y615 PolarHBondContact O-N 3.3Å; M515-Y615 CarbonylContact C-O 3.53Å; M515-Y615 WeakPolarHBondContact CA-O 3.49Å; I516-Y615 PolarHBondContact N-O 3.34Å; F525-Y615 HydrophobicContact CE1-CG 4.26Å; F525-Y615 WeakPolarHBondContact CZ-O 3.43Å; F528-Y615 AromaticContact CE2-CD1 3.75Å; F528-Y615 HydrophobicContact CE2-CD1 3.75Å; F528-Y615 HydrophobicContact CE2-CD2 4.19Å; F528-Y615 AromaticContact CE2-CE1 3.72Å; F528-Y615 HydrophobicContact CE2-CE1 3.72Å; F528-Y615 HydrophobicContact CE2-CE2 4.17Å; F528-Y615 AromaticContact CE2-CG 3.99Å; F528-Y615 HydrophobicContact CE2-CG 3.99Å; F528-Y615 AromaticContact CE2-CZ 3.95Å; F528-Y615 HydrophobicContact CZ-CD1 4.3Å; F528-Y615 HydrophobicContact CZ-CE1 4.09Å; Y613-Y615 VanDerWaalsContact CB-CE2 3.48Å; Y613-Y615 HydrophobicContact CD1-CE2 4.44Å; Y613-Y615 HydrophobicContact CG-CE2 4.4Å; Y615-R660 CarbonylContact C-O 3.26Å; Y615-R660 WeakPolarHBondContact CA-O 3.47Å; Y615-R660 HydrophobicContact CD1-CB 3.95Å; Y615-R660 HydrophobicContact CE1-CB 4.17Å; Y615-R660 HydrophobicContact CE1-CG 4.37Å
616	V	96.4	Very high	90	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.9	176.7	-174.6	0	0	0	0	109.2	I516 I614 M623 V624 V627 Y659 R660 T661 D662	I516-V616 HydrophobicContact CB-CG2 4.25Å; I516-V616 HydrophobicContact CD1-CG2 4.25Å; I516-V616 WeakPolarHBondContact O-CA 3.49Å; I614-V616 HydrophobicContact CG2-CG2 3.94Å; V616-M623 HydrophobicContact CG1-CE 3.99Å; V616-M623 HydrophobicContact CG1-SD 3.87Å; V616-V624 HydrophobicContact CG1-CB 4.44Å; V616-V624 HydrophobicContact CG1-CG1 4.42Å; V616-V624 HydrophobicContact CG1-CG2 4Å; V616-V627 HydrophobicContact CG1-CB 4.35Å; V616-V627 HydrophobicContact CG1-CG1 4.17Å; V616-V627 HydrophobicContact CG2-CG1 3.74Å; V616-Y659 HydrophobicContact CB-CE2 4.26Å; V616-Y659 HydrophobicContact CG2-CD2 4.42Å; V616-Y659 HydrophobicContact CG2-CE2 3.54Å; V616-R660 PolarHBondContact N-O 3.27Å; V616-T661 HydrophobicContact CB-CG2 4.13Å; V616-T661 VanDerWaalsContact O-CA 3.32Å; V616-T661 WeakPolarHBondContact O-CA 3.36Å; V616-D662 PolarHBondContact O-N 3.23Å
617	C	94	Very high	89.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.9	-176	-173.4	0	0	0	0	112.6	F503 I516 A517 G521 P524 F525 M623 D662 W664	F503-C617 HydrophobicContact CZ-CB 4.33Å; I516-C617 PolarHBondContact O-N 2.73Å; A517-C617 WeakPolarHBondContact CA-O 3.18Å; G521-C617 WeakPolarHBondContact CA-O 3.5Å; G521-C617 VanDerWaalsContact O-CB 3.29Å; G521-C617 WeakPolarHBondContact O-CB 3.24Å; G521-C617 PolarHBondContact O-SG 3.47Å; P524-C617 HydrophobicContact CG-CB 4.07Å; P524-C617 VanDerWaalsContact CG-SG 3.5Å; F525-C617 HydrophobicContact CE2-CB 3.74Å; F525-C617 HydrophobicContact CZ-CB 3.72Å; C617-M623 WeakPolarHBondContact O-CE 3.22Å; C617-D662 VanDerWaalsContact CA-O 3.26Å; C617-D662 WeakPolarHBondContact CA-O 3.41Å; C617-D662 HydrophobicContact CB-CB 4.47Å; C617-D662 PolarHBondContact SG-O 2.89Å; C617-W664 WeakPolarHBondContact SG-CH2 3.27Å; C617-W664 WeakPolarHBondContact SG-CZ3 3.22Å
618	G	86.5	Confident	89.8	Confident	2 Å²	2	41.1 Å²	41.1	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.7	-150.7	-179.9	0	0	0	0	0	114.4	A620 D662 V663 W664	G618-A620 PolarHBondContact O-N 2.97Å; G618-D662 PolarHBondContact N-O 3.39Å; G618-V663 WeakPolarHBondContact O-CA 3.35Å; G618-W664 PolarHBondContact O-N 2.92Å
619	D	83	Confident	89.8	Confident	61 Å²	61	41.1 Å²	41.1	33%	0.326	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	120.3	-177.1	171.3	46.7	0	0	0	112.1	A621 G622 M623 V624	D619-A621 PolarHBondContact OD1-N 3.31Å; D619-G622 WeakPolarHBondContact OD2-CA 3.5Å; D619-G622 PolarHBondContact OD2-N 3Å; D619-M623 PolarHBondContact O-N 2.9Å; D619-V624 VanDerWaalsContact O-CG2 3.28Å; D619-V624 WeakPolarHBondContact O-CG2 3.17Å; D619-V624 PolarHBondContact O-N 2.96Å; D619-V624 VanDerWaalsContact O-N 3.16Å
620	A	69.6	Low	89.9	Confident	15 Å²	15	35.6 Å²	35.6	12%	0.124	18%	0.183	C	C	.	.	I	π-helix	trans	-65.8	-39.5	-178.1	0	0	0	0	0	112.8	G618 V663 W664	G618-A620 PolarHBondContact O-N 2.97Å; A620-V663 HydrophobicContact CB-CB 3.99Å; A620-V663 HydrophobicContact CB-CG2 4.03Å; A620-W664 PolarHBondContact N-O 3.01Å
621	A	70.7	Confident	89.9	Confident	50 Å²	50	33.4 Å²	33.4	41%	0.413	17%	0.168	S	C	.	.	I	π-helix	trans	-77	-37	-169.6	0	0	0	0	0	113.1	D619	D619-A621 PolarHBondContact OD1-N 3.31Å
622	G	81.7	Confident	89.9	Confident	23 Å²	23	26.4 Å²	26.4	24%	0.237	14%	0.141	C	C	.	.	I	π-helix	trans	-100	-82.4	176.8	0	0	0	0	0	112.5	D619 V624 R625 D626	D619-G622 WeakPolarHBondContact OD2-CA 3.5Å; D619-G622 PolarHBondContact OD2-N 3Å; G622-V624 PolarHBondContact O-N 3.46Å; G622-R625 PolarHBondContact O-N 2.76Å; G622-D626 PolarHBondContact O-N 3.42Å; G622-D626 VanDerWaalsContact O-N 3.11Å
623	M	86.8	Confident	89.9	Confident	18 Å²	18	29.3 Å²	29.3	9%	0.089	15%	0.154	C	C	.	.	I	π-helix	trans	-58.5	-46.1	-162.8	-175.5	-81.7	-68.1	0	0	113.3	V592 V616 C617 D619 R625 D626 V627	V592-M623 HydrophobicContact CG2-CG 3.88Å; V592-M623 HydrophobicContact CG2-SD 4.07Å; V616-M623 HydrophobicContact CG1-CE 3.99Å; V616-M623 HydrophobicContact CG1-SD 3.87Å; C617-M623 WeakPolarHBondContact O-CE 3.22Å; D619-M623 PolarHBondContact O-N 2.9Å; M623-R625 PolarHBondContact O-N 3.06Å; M623-D626 PolarHBondContact O-N 3.15Å; M623-V627 HydrophobicContact CG-CG2 4.38Å; M623-V627 WeakPolarHBondContact O-CB 3.45Å; M623-V627 VanDerWaalsContact O-CG2 3.31Å; M623-V627 WeakPolarHBondContact O-CG2 3.12Å; M623-V627 PolarHBondContact O-N 3.31Å; M623-V627 HydrophobicContact SD-CB 4.46Å; M623-V627 HydrophobicContact SD-CG2 3.6Å; M623-V627 VanDerWaalsContact SD-CG2 3.6Å
624	V	84.6	Confident	89.8	Confident	12 Å²	12	27.3 Å²	27.3	7%	0.073	15%	0.147	C	C	.	.	I	π-helix	trans	-65.4	-41.3	-175.4	175	0	0	0	0	111.4	V616 D619 G622 V627 H628 T661 V663	V616-V624 HydrophobicContact CG1-CB 4.44Å; V616-V624 HydrophobicContact CG1-CG1 4.42Å; V616-V624 HydrophobicContact CG1-CG2 4Å; D619-V624 VanDerWaalsContact O-CG2 3.28Å; D619-V624 WeakPolarHBondContact O-CG2 3.17Å; D619-V624 PolarHBondContact O-N 2.96Å; D619-V624 VanDerWaalsContact O-N 3.16Å; G622-V624 PolarHBondContact O-N 3.46Å; V624-V627 PolarHBondContact O-N 3.33Å; V624-H628 WeakPolarHBondContact O-CB 3.22Å; V624-H628 PolarHBondContact O-N 3.16Å; V624-T661 HydrophobicContact CG1-CG2 3.95Å; V624-V663 HydrophobicContact CB-CG1 4.19Å; V624-V663 HydrophobicContact CG1-CG1 3.94Å; V624-V663 HydrophobicContact CG2-CB 4.16Å; V624-V663 HydrophobicContact CG2-CG1 3.34Å
625	R	86.8	Confident	89.7	Confident	156 Å²	156	27.3 Å²	27.3	59%	0.589	15%	0.147	S	C	*	.	H	α-helix	trans	-62.1	-46.7	176.2	175.8	176.8	168.4	-100.1	1.6	110.7	G622 M623 V627 H628 L629	G622-R625 PolarHBondContact O-N 2.76Å; M623-R625 PolarHBondContact O-N 3.06Å; R625-V627 PolarHBondContact O-N 3.08Å; R625-H628 WeakPolarHBondContact O-CB 3.15Å; R625-H628 PolarHBondContact O-N 3.19Å; R625-L629 HydrophobicContact CG-CD1 4.44Å; R625-L629 WeakPolarHBondContact O-CG 3.49Å; R625-L629 PolarHBondContact O-N 2.87Å
626	D	91.7	Very high	89.6	Confident	57 Å²	57	29.2 Å²	29.2	31%	0.305	16%	0.158	S	C	.	.	H	α-helix	trans	-66.2	-38.7	-179.5	-67.8	-13.2	0	0	0	111.8	Q593 G622 M623 L629 C630	Q593-D626 HydrophobicContact CG-CB 4.47Å; G622-D626 PolarHBondContact O-N 3.42Å; G622-D626 VanDerWaalsContact O-N 3.11Å; M623-D626 PolarHBondContact O-N 3.15Å; D626-L629 PolarHBondContact O-N 3.26Å; D626-C630 WeakPolarHBondContact O-CB 3.25Å; D626-C630 PolarHBondContact O-N 2.93Å
627	V	94.7	Very high	89.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-40.5	173	170.3	0	0	0	0	111.2	I516 V592 Q593 V616 M623 V624 R625 C630 L631	I516-V627 HydrophobicContact CD1-CG1 3.71Å; I516-V627 HydrophobicContact CG2-CG1 4.21Å; I516-V627 HydrophobicContact CG2-CG2 3.81Å; V592-V627 HydrophobicContact CG2-CG2 3.92Å; Q593-V627 HydrophobicContact CB-CG2 4.5Å; V616-V627 HydrophobicContact CG1-CB 4.35Å; V616-V627 HydrophobicContact CG1-CG1 4.17Å; V616-V627 HydrophobicContact CG2-CG1 3.74Å; M623-V627 HydrophobicContact CG-CG2 4.38Å; M623-V627 WeakPolarHBondContact O-CB 3.45Å; M623-V627 VanDerWaalsContact O-CG2 3.31Å; M623-V627 WeakPolarHBondContact O-CG2 3.12Å; M623-V627 PolarHBondContact O-N 3.31Å; M623-V627 HydrophobicContact SD-CB 4.46Å; M623-V627 HydrophobicContact SD-CG2 3.6Å; M623-V627 VanDerWaalsContact SD-CG2 3.6Å; V624-V627 PolarHBondContact O-N 3.33Å; R625-V627 PolarHBondContact O-N 3.08Å; V627-C630 WeakPolarHBondContact O-CB 3.36Å; V627-C630 PolarHBondContact O-N 3.2Å; V627-L631 HydrophobicContact CG1-CD1 4.22Å; V627-L631 HydrophobicContact CG1-CG 4.44Å; V627-L631 WeakPolarHBondContact O-CG 3.46Å; V627-L631 PolarHBondContact O-N 3.44Å
628	H	92.1	Very high	89.5	Confident	28 Å²	28	37.9 Å²	37.9	13%	0.13	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-47.3	176.1	-176.3	78.5	0	0	0	111.9	V624 R625 C630 L631 I632 R654 Y659	V624-H628 WeakPolarHBondContact O-CB 3.22Å; V624-H628 PolarHBondContact O-N 3.16Å; R625-H628 WeakPolarHBondContact O-CB 3.15Å; R625-H628 PolarHBondContact O-N 3.19Å; H628-C630 VanDerWaalsContact C-N 3.33Å; H628-C630 PolarHBondContact O-N 3.05Å; H628-L631 PolarHBondContact O-N 3.34Å; H628-I632 PolarHBondContact O-N 3.34Å; H628-R654 PolarHBondContact ND1-NH2 3.05Å; H628-Y659 AromaticContact ND1-CE1 3.53Å
629	L	92.8	Very high	89.6	Confident	69 Å²	69	39.3 Å²	39.3	36%	0.361	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-39.5	176.5	-65.9	175.2	0	0	0	111.8	R625 D626 L631 I632 E633	R625-L629 HydrophobicContact CG-CD1 4.44Å; R625-L629 WeakPolarHBondContact O-CG 3.49Å; R625-L629 PolarHBondContact O-N 2.87Å; D626-L629 PolarHBondContact O-N 3.26Å; L629-L631 VanDerWaalsContact C-N 3.34Å; L629-L631 PolarHBondContact O-N 2.69Å; L629-I632 PolarHBondContact O-N 2.87Å; L629-E633 PolarHBondContact O-N 2.8Å
630	C	95.5	Very high	89.7	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.054	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-39.7	174.3	163.8	0	0	0	0	112.8	Q593 L597 D626 V627 H628 E633 L634	Q593-C630 HydrophobicContact CB-CB 3.75Å; Q593-C630 PolarHBondContact O-SG 2.81Å; L597-C630 VanDerWaalsContact CG-SG 3.6Å; D626-C630 WeakPolarHBondContact O-CB 3.25Å; D626-C630 PolarHBondContact O-N 2.93Å; V627-C630 WeakPolarHBondContact O-CB 3.36Å; V627-C630 PolarHBondContact O-N 3.2Å; H628-C630 VanDerWaalsContact C-N 3.33Å; H628-C630 PolarHBondContact O-N 3.05Å; C630-E633 PolarHBondContact O-N 2.84Å; C630-L634 WeakPolarHBondContact O-CB 3.43Å; C630-L634 PolarHBondContact O-N 3.19Å
631	L	95.9	Very high	90.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-39.5	176.5	-71.5	170	0	0	0	111.6	V596 I614 V627 H628 L629 E633 L634 V635 V650 Y659	V596-L631 HydrophobicContact CG1-CD2 4.48Å; I614-L631 HydrophobicContact CD1-CD1 3.87Å; I614-L631 HydrophobicContact CD1-CD2 3.86Å; I614-L631 HydrophobicContact CG2-CD1 4.29Å; V627-L631 HydrophobicContact CG1-CD1 4.22Å; V627-L631 HydrophobicContact CG1-CG 4.44Å; V627-L631 WeakPolarHBondContact O-CG 3.46Å; V627-L631 PolarHBondContact O-N 3.44Å; H628-L631 PolarHBondContact O-N 3.34Å; L629-L631 VanDerWaalsContact C-N 3.34Å; L629-L631 PolarHBondContact O-N 2.69Å; L631-E633 VanDerWaalsContact C-N 3.34Å; L631-L634 PolarHBondContact O-N 3.37Å; L631-V635 WeakPolarHBondContact O-CG2 3.43Å; L631-V635 PolarHBondContact O-N 2.67Å; L631-V650 HydrophobicContact CB-CG2 4.33Å; L631-Y659 HydrophobicContact CD1-CD1 4.4Å; L631-Y659 HydrophobicContact CD1-CE1 3.84Å; L631-Y659 HydrophobicContact CD1-CE2 4.43Å
632	I	95.4	Very high	92	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-47.3	174	-64.9	169.5	0	0	0	109.8	H628 L629 L634 V635 V636 R643 A646 T647 V650	H628-I632 PolarHBondContact O-N 3.34Å; L629-I632 PolarHBondContact O-N 2.87Å; I632-L634 PolarHBondContact O-N 2.84Å; I632-V635 PolarHBondContact O-N 3.31Å; I632-V636 WeakPolarHBondContact O-CG2 3.38Å; I632-V636 PolarHBondContact O-N 3.4Å; I632-R643 HydrophobicContact CG2-CG 4.26Å; I632-A646 HydrophobicContact CG2-CB 4.11Å; I632-T647 HydrophobicContact CD1-CG2 4.19Å; I632-V650 HydrophobicContact CG1-CB 4.2Å; I632-V650 HydrophobicContact CG1-CG2 3.89Å
633	E	95.7	Very high	92.5	Very high	60 Å²	60	52.7 Å²	52.7	28%	0.28	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-43.1	178.5	-173.2	56.4	-146.5	0	0	112.2	L597 L629 C630 L631 V635 V636 Q637 R643	L597-E633 HydrophobicContact CD2-CG 4.43Å; L629-E633 PolarHBondContact O-N 2.8Å; C630-E633 PolarHBondContact O-N 2.84Å; L631-E633 VanDerWaalsContact C-N 3.34Å; E633-V635 VanDerWaalsContact C-N 3.33Å; E633-V635 PolarHBondContact O-N 2.92Å; E633-V636 PolarHBondContact O-N 3.41Å; E633-Q637 WeakPolarHBondContact O-CG 3.39Å; E633-Q637 PolarHBondContact O-N 3.21Å; E633-Q637 PolarHBondContact OE1-NE2 3.31Å; E633-R643 IonicContact OE2-NH1 3.01Å; E633-R643 PolarHBondContact OE2-NH1 2.91Å
634	L	96.3	Very high	92.8	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-43.9	174.8	-176.2	154.7	0	0	0	111.5	V596 L597 V603 W604 C630 L631 I632 Q637 R638	V596-L634 HydrophobicContact CG1-CD1 4.02Å; L597-L634 HydrophobicContact CD2-CB 4.17Å; V603-L634 HydrophobicContact CB-CD1 3.86Å; V603-L634 HydrophobicContact CG1-CD1 3.54Å; V603-L634 HydrophobicContact CG1-CD2 4.31Å; W604-L634 HydrophobicContact CB-CD2 4.06Å; W604-L634 HydrophobicContact CE3-CD2 4.04Å; C630-L634 WeakPolarHBondContact O-CB 3.43Å; C630-L634 PolarHBondContact O-N 3.19Å; L631-L634 PolarHBondContact O-N 3.37Å; I632-L634 PolarHBondContact O-N 2.84Å; L634-Q637 PolarHBondContact O-N 3.07Å; L634-R638 HydrophobicContact CD2-CG 4.35Å; L634-R638 HydrophobicContact CG-CG 4.49Å; L634-R638 WeakPolarHBondContact O-CB 3.24Å; L634-R638 WeakPolarHBondContact O-CG 3.39Å; L634-R638 PolarHBondContact O-N 3.29Å; L634-R638 VanDerWaalsContact O-N 3.11Å
635	V	95.7	Very high	93.3	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-45.5	177.7	175.3	0	0	0	0	110.3	W604 L631 I632 E633 Q637 R638 S639 L641 A646 Y649 V650	W604-V635 HydrophobicContact CH2-CG1 4.43Å; W604-V635 HydrophobicContact CZ3-CB 4.31Å; W604-V635 HydrophobicContact CZ3-CG1 4.1Å; W604-V635 HydrophobicContact CZ3-CG2 3.96Å; L631-V635 WeakPolarHBondContact O-CG2 3.43Å; L631-V635 PolarHBondContact O-N 2.67Å; I632-V635 PolarHBondContact O-N 3.31Å; E633-V635 VanDerWaalsContact C-N 3.33Å; E633-V635 PolarHBondContact O-N 2.92Å; V635-Q637 VanDerWaalsContact C-N 3.33Å; V635-Q637 PolarHBondContact O-N 3.44Å; V635-R638 PolarHBondContact O-N 2.92Å; V635-S639 WeakPolarHBondContact CG1-OG 3.33Å; V635-S639 WeakPolarHBondContact O-CB 3.39Å; V635-S639 PolarHBondContact O-N 3.39Å; V635-S639 PolarHBondContact O-OG 3.02Å; V635-L641 HydrophobicContact CG1-CD1 4.03Å; V635-A646 HydrophobicContact CB-CB 3.93Å; V635-A646 HydrophobicContact CG1-CB 3.64Å; V635-Y649 HydrophobicContact CG1-CD1 4.06Å; V635-Y649 HydrophobicContact CG1-CG 4.37Å; V635-Y649 HydrophobicContact CG2-CD1 3.77Å; V635-Y649 HydrophobicContact CG2-CE1 4.08Å; V635-V650 HydrophobicContact CG2-CG2 4.06Å
636	V	95.4	Very high	93.7	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-47.6	176.3	172.8	0	0	0	0	111	I632 E633 R638 R643 A646	I632-V636 WeakPolarHBondContact O-CG2 3.38Å; I632-V636 PolarHBondContact O-N 3.4Å; E633-V636 PolarHBondContact O-N 3.41Å; V636-R638 VanDerWaalsContact C-N 3.31Å; V636-R638 PolarHBondContact O-N 3.29Å; V636-R643 HydrophobicContact CG2-CB 4.39Å; V636-A646 HydrophobicContact CG2-CB 3.53Å
637	Q	94.7	Very high	93.7	Very high	94 Å²	94	51.2 Å²	51.2	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-68.7	-23.9	-177.3	-69.6	178.3	11.3	0	0	114.4	E633 L634 V635	E633-Q637 WeakPolarHBondContact O-CG 3.39Å; E633-Q637 PolarHBondContact O-N 3.21Å; E633-Q637 PolarHBondContact OE1-NE2 3.31Å; L634-Q637 PolarHBondContact O-N 3.07Å; V635-Q637 VanDerWaalsContact C-N 3.33Å; V635-Q637 PolarHBondContact O-N 3.44Å
638	R	93.7	Very high	93.6	Very high	89 Å²	89	54.7 Å²	54.7	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-112.8	-16.6	-170.4	-55.7	-61.3	175	-165.4	-2.3	115.2	N601 W604 L634 V635 V636	N601-R638 PolarHBondContact OD1-NE 2.96Å; N601-R638 PolarHBondContact OD1-NH1 3.4Å; W604-R638 HydrophobicContact CB-CB 3.88Å; W604-R638 HydrophobicContact CB-CG 3.93Å; W604-R638 HydrophobicContact CD2-CB 3.63Å; W604-R638 HydrophobicContact CE3-CB 4.24Å; W604-R638 HydrophobicContact CG-CB 3.42Å; W604-R638 VanDerWaalsContact CG-CB 3.42Å; W604-R638 HydrophobicContact CG-CG 4.05Å; L634-R638 HydrophobicContact CD2-CG 4.35Å; L634-R638 HydrophobicContact CG-CG 4.49Å; L634-R638 WeakPolarHBondContact O-CB 3.24Å; L634-R638 WeakPolarHBondContact O-CG 3.39Å; L634-R638 PolarHBondContact O-N 3.29Å; L634-R638 VanDerWaalsContact O-N 3.11Å; V635-R638 PolarHBondContact O-N 2.92Å; V636-R638 VanDerWaalsContact C-N 3.31Å; V636-R638 PolarHBondContact O-N 3.29Å
639	S	88.6	Confident	93.7	Very high	32 Å²	32	55.7 Å²	55.7	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-117.2	-2.1	-174.3	68.5	0	0	0	0	115.2	W604 V635 L641	W604-S639 VanDerWaalsContact CZ2-CB 3.46Å; V635-S639 WeakPolarHBondContact CG1-OG 3.33Å; V635-S639 WeakPolarHBondContact O-CB 3.39Å; V635-S639 PolarHBondContact O-N 3.39Å; V635-S639 PolarHBondContact O-OG 3.02Å; S639-L641 PolarHBondContact O-N 3.36Å; S639-L641 VanDerWaalsContact O-N 3.1Å; S639-L641 WeakPolarHBondContact OG-CB 3.44Å; S639-L641 WeakPolarHBondContact OG-CD1 3.44Å; S639-L641 WeakPolarHBondContact OG-CG 3.38Å; S639-L641 PolarHBondContact OG-N 3.47Å
640	N	85.4	Confident	93.7	Very high	161 Å²	161	52.4 Å²	52.4	86%	0.861	27%	0.272	S	S	*	.			trans	56.1	16.6	-170.5	-62.6	-32.8	0	0	0	114.4
641	L	92.3	Very high	93.4	Very high	65 Å²	65	54.6 Å²	54.6	34%	0.34	28%	0.283	S	S	.	.			trans	-74.1	147.8	174.6	-68.1	178.9	0	0	0	111.2	V635 S639 A645	V635-L641 HydrophobicContact CG1-CD1 4.03Å; S639-L641 PolarHBondContact O-N 3.36Å; S639-L641 VanDerWaalsContact O-N 3.1Å; S639-L641 WeakPolarHBondContact OG-CB 3.44Å; S639-L641 WeakPolarHBondContact OG-CD1 3.44Å; S639-L641 WeakPolarHBondContact OG-CG 3.38Å; S639-L641 PolarHBondContact OG-N 3.47Å; L641-A645 HydrophobicContact CB-CB 4.06Å; L641-A645 HydrophobicContact CD2-CB 4.13Å; L641-A645 HydrophobicContact CG-CB 4.46Å
642	T	95.2	Very high	93.2	Very high	88 Å²	88	57.9 Å²	57.9	54%	0.54	30%	0.301	S	S	.	.			trans	-62.2	159.1	167.1	55.8	0	0	0	0	110.3	E644 A645 A646	T642-E644 PolarHBondContact O-N 2.9Å; T642-A645 PolarHBondContact O-N 3Å; T642-A645 VanDerWaalsContact O-N 3.16Å; T642-A645 WeakPolarHBondContact OG1-CB 3.27Å; T642-A645 PolarHBondContact OG1-N 3.25Å; T642-A646 WeakPolarHBondContact O-CB 3.24Å; T642-A646 PolarHBondContact O-N 2.95Å
643	R	93.7	Very high	93.2	Very high	115 Å²	115	57.9 Å²	57.9	43%	0.434	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-34.6	-179.7	-168.1	175	-171.6	84.2	1.4	111.7	I632 E633 V636 T647	I632-R643 HydrophobicContact CG2-CG 4.26Å; E633-R643 IonicContact OE2-NH1 3.01Å; E633-R643 PolarHBondContact OE2-NH1 2.91Å; V636-R643 HydrophobicContact CG2-CB 4.39Å; R643-T647 WeakPolarHBondContact O-CB 3.13Å; R643-T647 PolarHBondContact O-N 3.27Å; R643-T647 PolarHBondContact O-OG1 3.46Å
644	E	92.6	Very high	92.9	Very high	132 Å²	132	56.3 Å²	56.3	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-67.4	-44.3	177.3	-62.4	68	-144.8	0	0	111.5	T642 T647 S648	T642-E644 PolarHBondContact O-N 2.9Å; E644-T647 PolarHBondContact O-N 3.44Å; E644-S648 WeakPolarHBondContact O-CB 3.17Å; E644-S648 PolarHBondContact O-N 3.08Å; E644-S648 PolarHBondContact O-OG 3.16Å
645	A	94.7	Very high	92.4	Very high	34 Å²	34	64 Å²	64	28%	0.281	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-40.5	175.8	0	0	0	0	0	111.7	L641 T642 S648 Y649	L641-A645 HydrophobicContact CB-CB 4.06Å; L641-A645 HydrophobicContact CD2-CB 4.13Å; L641-A645 HydrophobicContact CG-CB 4.46Å; T642-A645 PolarHBondContact O-N 3Å; T642-A645 VanDerWaalsContact O-N 3.16Å; T642-A645 WeakPolarHBondContact OG1-CB 3.27Å; T642-A645 PolarHBondContact OG1-N 3.25Å; A645-S648 WeakPolarHBondContact O-CB 3.33Å; A645-S648 PolarHBondContact O-N 2.61Å; A645-Y649 WeakPolarHBondContact O-CB 3.47Å; A645-Y649 PolarHBondContact O-N 3.42Å
646	A	95.1	Very high	92.2	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-42.3	173.8	0	0	0	0	0	112.2	I632 V635 V636 T642 S648 Y649 V650	I632-A646 HydrophobicContact CG2-CB 4.11Å; V635-A646 HydrophobicContact CB-CB 3.93Å; V635-A646 HydrophobicContact CG1-CB 3.64Å; V636-A646 HydrophobicContact CG2-CB 3.53Å; T642-A646 WeakPolarHBondContact O-CB 3.24Å; T642-A646 PolarHBondContact O-N 2.95Å; A646-S648 VanDerWaalsContact C-N 3.33Å; A646-S648 PolarHBondContact O-N 3.01Å; A646-Y649 WeakPolarHBondContact O-CB 3.41Å; A646-Y649 PolarHBondContact O-N 2.9Å; A646-V650 WeakPolarHBondContact O-CG2 3.36Å; A646-V650 PolarHBondContact O-N 3.28Å
647	T	92	Very high	92	Very high	46 Å²	46	67.5 Å²	67.5	28%	0.282	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-46.1	173.7	-58.6	0	0	0	0	110.6	I632 R643 E644 Y649 V650 L651	I632-T647 HydrophobicContact CD1-CG2 4.19Å; R643-T647 WeakPolarHBondContact O-CB 3.13Å; R643-T647 PolarHBondContact O-N 3.27Å; R643-T647 PolarHBondContact O-OG1 3.46Å; E644-T647 PolarHBondContact O-N 3.44Å; T647-Y649 VanDerWaalsContact C-N 3.31Å; T647-Y649 PolarHBondContact O-N 3.47Å; T647-V650 PolarHBondContact O-N 3.02Å; T647-L651 HydrophobicContact CG2-CD1 4.16Å; T647-L651 WeakPolarHBondContact O-CB 3.36Å; T647-L651 VanDerWaalsContact O-CG 3.31Å; T647-L651 WeakPolarHBondContact O-CG 3.28Å; T647-L651 PolarHBondContact O-N 3.35Å
648	S	92	Very high	92	Very high	74 Å²	74	64 Å²	64	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-38.1	176.7	-60.5	0	0	0	0	112.3	E644 A645 A646 L651 N652	E644-S648 WeakPolarHBondContact O-CB 3.17Å; E644-S648 PolarHBondContact O-N 3.08Å; E644-S648 PolarHBondContact O-OG 3.16Å; A645-S648 WeakPolarHBondContact O-CB 3.33Å; A645-S648 PolarHBondContact O-N 2.61Å; A646-S648 VanDerWaalsContact C-N 3.33Å; A646-S648 PolarHBondContact O-N 3.01Å; S648-L651 PolarHBondContact O-N 3.38Å; S648-N652 WeakPolarHBondContact O-CB 3.47Å; S648-N652 PolarHBondContact O-N 2.71Å
649	Y	94.4	Very high	92	Very high	48 Å²	48	60.1 Å²	60.1	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-50.4	175	179.9	-92.3	0	0	0	111.6	W604 V635 A645 A646 T647 L651 N652 L653	W604-Y649 HydrophobicContact CZ3-CE1 4.1Å; V635-Y649 HydrophobicContact CG1-CD1 4.06Å; V635-Y649 HydrophobicContact CG1-CG 4.37Å; V635-Y649 HydrophobicContact CG2-CD1 3.77Å; V635-Y649 HydrophobicContact CG2-CE1 4.08Å; A645-Y649 WeakPolarHBondContact O-CB 3.47Å; A645-Y649 PolarHBondContact O-N 3.42Å; A646-Y649 WeakPolarHBondContact O-CB 3.41Å; A646-Y649 PolarHBondContact O-N 2.9Å; T647-Y649 VanDerWaalsContact C-N 3.31Å; T647-Y649 PolarHBondContact O-N 3.47Å; Y649-L651 VanDerWaalsContact C-N 3.34Å; Y649-L651 PolarHBondContact O-N 3.3Å; Y649-N652 WeakPolarHBondContact O-CB 3.41Å; Y649-N652 PolarHBondContact O-N 3.49Å; Y649-N652 VanDerWaalsContact O-N 3.08Å; Y649-L653 HydrophobicContact CD1-CD1 4.17Å; Y649-L653 HydrophobicContact CD1-CG 4.43Å; Y649-L653 HydrophobicContact CE1-CD1 3.73Å; Y649-L653 HydrophobicContact CE1-CD2 4.47Å; Y649-L653 HydrophobicContact CE1-CG 4.13Å; Y649-L653 PolarHBondContact O-N 3.43Å
650	V	93.7	Very high	92.2	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-39.1	178.4	177.7	0	0	0	0	111.5	L631 I632 V635 A646 T647 N652 L653 R654 Y659	L631-V650 HydrophobicContact CB-CG2 4.33Å; I632-V650 HydrophobicContact CG1-CB 4.2Å; I632-V650 HydrophobicContact CG1-CG2 3.89Å; V635-V650 HydrophobicContact CG2-CG2 4.06Å; A646-V650 WeakPolarHBondContact O-CG2 3.36Å; A646-V650 PolarHBondContact O-N 3.28Å; T647-V650 PolarHBondContact O-N 3.02Å; V650-N652 VanDerWaalsContact C-N 3.32Å; V650-N652 PolarHBondContact O-N 3.17Å; V650-L653 WeakPolarHBondContact O-CB 3.45Å; V650-L653 PolarHBondContact O-N 2.92Å; V650-R654 PolarHBondContact O-N 3.02Å; V650-Y659 HydrophobicContact CG1-CD1 3.81Å; V650-Y659 HydrophobicContact CG1-CE1 3.74Å
651	L	89.3	Confident	92.5	Very high	53 Å²	53	55 Å²	55	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-37	172.9	-71	173.7	0	0	0	112	T647 S648 Y649 R654 K655	T647-L651 HydrophobicContact CG2-CD1 4.16Å; T647-L651 WeakPolarHBondContact O-CB 3.36Å; T647-L651 VanDerWaalsContact O-CG 3.31Å; T647-L651 WeakPolarHBondContact O-CG 3.28Å; T647-L651 PolarHBondContact O-N 3.35Å; S648-L651 PolarHBondContact O-N 3.38Å; Y649-L651 VanDerWaalsContact C-N 3.34Å; Y649-L651 PolarHBondContact O-N 3.3Å; L651-R654 WeakPolarHBondContact O-CB 3.27Å; L651-R654 PolarHBondContact O-N 3.2Å; L651-K655 WeakPolarHBondContact O-CG 3.23Å; L651-K655 PolarHBondContact O-N 2.97Å
652	N	92	Very high	92.3	Very high	74 Å²	74	52.7 Å²	52.7	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-37.5	175.9	-164	26.4	0	0	0	111.7	S648 Y649 V650 R654 K655 Q656	S648-N652 WeakPolarHBondContact O-CB 3.47Å; S648-N652 PolarHBondContact O-N 2.71Å; Y649-N652 WeakPolarHBondContact O-CB 3.41Å; Y649-N652 PolarHBondContact O-N 3.49Å; Y649-N652 VanDerWaalsContact O-N 3.08Å; V650-N652 VanDerWaalsContact C-N 3.32Å; V650-N652 PolarHBondContact O-N 3.17Å; N652-R654 VanDerWaalsContact C-N 3.27Å; N652-R654 PolarHBondContact O-N 3.12Å; N652-K655 PolarHBondContact O-N 2.91Å; N652-K655 VanDerWaalsContact O-N 3.15Å; N652-Q656 PolarHBondContact ND2-NE2 3.28Å; N652-Q656 WeakPolarHBondContact O-CB 3.21Å; N652-Q656 VanDerWaalsContact O-CG 3.28Å; N652-Q656 WeakPolarHBondContact O-CG 3.44Å; N652-Q656 PolarHBondContact O-N 2.82Å
653	L	93.9	Very high	91.6	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-39.5	172.1	-67.9	176.8	0	0	0	111.9	I614 Y649 V650 G657 R658 Y659	I614-L653 HydrophobicContact CD1-CD1 4.36Å; Y649-L653 HydrophobicContact CD1-CD1 4.17Å; Y649-L653 HydrophobicContact CD1-CG 4.43Å; Y649-L653 HydrophobicContact CE1-CD1 3.73Å; Y649-L653 HydrophobicContact CE1-CD2 4.47Å; Y649-L653 HydrophobicContact CE1-CG 4.13Å; Y649-L653 PolarHBondContact O-N 3.43Å; V650-L653 WeakPolarHBondContact O-CB 3.45Å; V650-L653 PolarHBondContact O-N 2.92Å; L653-G657 PolarHBondContact O-N 3.14Å; L653-R658 HydrophobicContact CD2-CB 4.23Å; L653-R658 PolarHBondContact O-N 3.3Å; L653-Y659 PolarHBondContact O-N 3.26Å
654	R	89.7	Confident	90.9	Very high	26 Å²	26	48 Å²	48	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-47	173.6	-70.1	-168.1	174.6	-169.8	8.2	111.6	E124 T161 H628 V650 L651 N652 Q656 G657 Y659	E124-R654 IonicContact OE2-CZ 2.73Å; E124-R654 IonicContact OE2-NH1 3.13Å; E124-R654 PolarHBondContact OE2-NH1 3.25Å; T161-R654 PolarHBondContact OG1-NH1 2.75Å; H628-R654 PolarHBondContact ND1-NH2 3.05Å; V650-R654 PolarHBondContact O-N 3.02Å; L651-R654 WeakPolarHBondContact O-CB 3.27Å; L651-R654 PolarHBondContact O-N 3.2Å; N652-R654 VanDerWaalsContact C-N 3.27Å; N652-R654 PolarHBondContact O-N 3.12Å; R654-Q656 VanDerWaalsContact C-N 3.28Å; R654-Q656 PolarHBondContact O-N 2.63Å; R654-G657 WeakPolarHBondContact O-CA 3.37Å; R654-G657 PolarHBondContact O-N 3.38Å; R654-Y659 HydrophobicContact CG-CD1 3.53Å; R654-Y659 HydrophobicContact CG-CE1 4.22Å; R654-Y659 HydrophobicContact CG-CG 3.83Å; R654-Y659 PolarHBondContact NH2-OH 2.87Å
655	K	86.6	Confident	89.8	Confident	165 Å²	165	52 Å²	52	72%	0.717	26%	0.257	S	S	*	.	H	α-helix	trans	-59	-37.5	177.5	-70.7	178.6	-178.4	178.3	0	112.9	L651 N652 G657	L651-K655 WeakPolarHBondContact O-CG 3.23Å; L651-K655 PolarHBondContact O-N 2.97Å; N652-K655 PolarHBondContact O-N 2.91Å; N652-K655 VanDerWaalsContact O-N 3.15Å; K655-G657 PolarHBondContact O-N 3.36Å
656	Q	90.7	Very high	89.5	Confident	96 Å²	96	53 Å²	53	45%	0.449	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.8	175.5	-67.6	172.6	4.3	0	0	113.1	N652 R654 R658	N652-Q656 PolarHBondContact ND2-NE2 3.28Å; N652-Q656 WeakPolarHBondContact O-CB 3.21Å; N652-Q656 VanDerWaalsContact O-CG 3.28Å; N652-Q656 WeakPolarHBondContact O-CG 3.44Å; N652-Q656 PolarHBondContact O-N 2.82Å; R654-Q656 VanDerWaalsContact C-N 3.28Å; R654-Q656 PolarHBondContact O-N 2.63Å; Q656-R658 HydrophobicContact CB-CG 4.23Å; Q656-R658 PolarHBondContact O-N 3.31Å
657	G	90.9	Very high	89.2	Confident	18 Å²	18	55.7 Å²	55.7	19%	0.186	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	17.8	-174.4	0	0	0	0	0	113.6	Y613 L653 R654 K655 R660	Y613-G657 WeakPolarHBondContact CD1-O 3.46Å; Y613-G657 WeakPolarHBondContact CE1-O 3.35Å; L653-G657 PolarHBondContact O-N 3.14Å; R654-G657 WeakPolarHBondContact O-CA 3.37Å; R654-G657 PolarHBondContact O-N 3.38Å; K655-G657 PolarHBondContact O-N 3.36Å; G657-R660 PolarHBondContact O-NE 2.87Å; G657-R660 PolarHBondContact O-NH2 2.95Å
658	R	94.9	Very high	89.1	Confident	22 Å²	22	56.3 Å²	56.3	8%	0.083	27%	0.269	C	S	.	.	S	Bend	trans	-87.2	-21	175.8	-73.5	-176.9	59.5	-155.2	-10.1	112.7	L607 Y611 A612 Y613 I614 L653 Q656	L607-R658 PolarHBondContact O-NH2 2.74Å; Y611-R658 PolarHBondContact O-NE 2.89Å; Y611-R658 PolarHBondContact O-NH2 2.54Å; A612-R658 PolarHBondContact O-NE 3.1Å; A612-R658 PolarHBondContact O-NH2 2.78Å; Y613-R658 CarbonylContact C-O 3.49Å; Y613-R658 VanDerWaalsContact CA-O 3.24Å; Y613-R658 WeakPolarHBondContact CA-O 3.27Å; Y613-R658 HydrophobicContact CD2-CG 4.17Å; Y613-R658 HydrophobicContact CE1-CG 4.37Å; Y613-R658 HydrophobicContact CE2-CG 3.9Å; I614-R658 PolarHBondContact N-O 3.38Å; L653-R658 HydrophobicContact CD2-CB 4.23Å; L653-R658 PolarHBondContact O-N 3.3Å; Q656-R658 HydrophobicContact CB-CG 4.23Å; Q656-R658 PolarHBondContact O-N 3.31Å
659	Y	94.6	Very high	88.9	Confident	6 Å²	6	55.2 Å²	55.2	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	110.7	168.9	177.2	-169.3	0	0	0	108.9	I614 V616 H628 L631 V650 L653 R654 T661	I614-Y659 HydrophobicContact CB-CD2 4.04Å; I614-Y659 HydrophobicContact CB-CG 4.37Å; I614-Y659 HydrophobicContact CG2-CD2 3.89Å; I614-Y659 HydrophobicContact CG2-CE2 4.2Å; I614-Y659 CarbonylContact O-C 3.59Å; I614-Y659 WeakPolarHBondContact O-CA 3.21Å; V616-Y659 HydrophobicContact CB-CE2 4.26Å; V616-Y659 HydrophobicContact CG2-CD2 4.42Å; V616-Y659 HydrophobicContact CG2-CE2 3.54Å; H628-Y659 AromaticContact ND1-CE1 3.53Å; L631-Y659 HydrophobicContact CD1-CD1 4.4Å; L631-Y659 HydrophobicContact CD1-CE1 3.84Å; L631-Y659 HydrophobicContact CD1-CE2 4.43Å; V650-Y659 HydrophobicContact CG1-CD1 3.81Å; V650-Y659 HydrophobicContact CG1-CE1 3.74Å; L653-Y659 PolarHBondContact O-N 3.26Å; R654-Y659 HydrophobicContact CG-CD1 3.53Å; R654-Y659 HydrophobicContact CG-CE1 4.22Å; R654-Y659 HydrophobicContact CG-CG 3.83Å; R654-Y659 PolarHBondContact NH2-OH 2.87Å; Y659-T661 HydrophobicContact CE2-CG2 3.87Å
660	R	93	Very high	88.6	Confident	65 Å²	65	55.7 Å²	55.7	25%	0.245	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.5	-179.3	-58.3	-170.6	-175.1	-177.6	-0.2	111.6	N502 F503 N504 I614 Y615 V616 G657	N502-R660 WeakPolarHBondContact O-CD 3.43Å; N502-R660 PolarHBondContact O-NH1 3.14Å; F503-R660 HydrophobicContact CD2-CB 3.89Å; F503-R660 HydrophobicContact CE2-CB 4.06Å; N504-R660 PolarHBondContact O-NH1 3.11Å; I614-R660 PolarHBondContact O-N 3.49Å; Y615-R660 CarbonylContact C-O 3.26Å; Y615-R660 WeakPolarHBondContact CA-O 3.47Å; Y615-R660 HydrophobicContact CD1-CB 3.95Å; Y615-R660 HydrophobicContact CE1-CB 4.17Å; Y615-R660 HydrophobicContact CE1-CG 4.37Å; V616-R660 PolarHBondContact N-O 3.27Å; G657-R660 PolarHBondContact O-NE 2.87Å; G657-R660 PolarHBondContact O-NH2 2.95Å
661	T	90.4	Very high	88.2	Confident	21 Å²	21	59.3 Å²	59.3	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135	-175.9	29.2	0	0	0	0	108.9	E124 V616 V624 Y659 V663	E124-T661 PolarHBondContact OE1-OG1 2.73Å; V616-T661 HydrophobicContact CB-CG2 4.13Å; V616-T661 VanDerWaalsContact O-CA 3.32Å; V616-T661 WeakPolarHBondContact O-CA 3.36Å; V624-T661 HydrophobicContact CG1-CG2 3.95Å; Y659-T661 HydrophobicContact CE2-CG2 3.87Å; T661-V663 HydrophobicContact CG2-CG1 4.21Å
662	D	88	Confident	88.1	Confident	16 Å²	16	59.8 Å²	59.8	9%	0.086	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	99.1	168.6	-179.7	23.8	0	0	0	107.8	H305 S443 F503 V616 C617 G618 W664	H305-D662 IonicContact CD2-OD1 3.15Å; H305-D662 IonicContact CD2-OD2 3.17Å; H305-D662 IonicContact CE1-OD1 3.92Å; H305-D662 PolarHBondContact CE1-OD1 2.98Å; H305-D662 VanDerWaalsContact NE2-CG 3.26Å; H305-D662 IonicContact NE2-OD1 3.17Å; H305-D662 PolarHBondContact NE2-OD1 3.43Å; H305-D662 IonicContact NE2-OD2 2.65Å; H305-D662 PolarHBondContact NE2-OD2 3.46Å; H305-D662 VanDerWaalsContact NE2-OD2 3.13Å; S443-D662 WeakPolarHBondContact CB-OD2 3.09Å; S443-D662 PolarHBondContact OG-OD2 3.12Å; F503-D662 HydrophobicContact CD1-CB 4.14Å; F503-D662 HydrophobicContact CD2-CB 3.66Å; F503-D662 HydrophobicContact CE1-CB 4.15Å; F503-D662 HydrophobicContact CE2-CB 3.66Å; F503-D662 HydrophobicContact CG-CB 3.88Å; F503-D662 HydrophobicContact CZ-CB 3.88Å; V616-D662 PolarHBondContact O-N 3.23Å; C617-D662 VanDerWaalsContact CA-O 3.26Å; C617-D662 WeakPolarHBondContact CA-O 3.41Å; C617-D662 HydrophobicContact CB-CB 4.47Å; C617-D662 PolarHBondContact SG-O 2.89Å; G618-D662 PolarHBondContact N-O 3.39Å; D662-W664 WeakPolarHBondContact O-CZ3 3.37Å
663	V	82.2	Confident	87.8	Confident	28 Å²	28	58.7 Å²	58.7	17%	0.17	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.3	-160.4	-53	0	0	0	0	111.7	Y160 G618 A620 V624 T661	Y160-V663 HydrophobicContact CE1-CG2 3.77Å; G618-V663 WeakPolarHBondContact O-CA 3.35Å; A620-V663 HydrophobicContact CB-CB 3.99Å; A620-V663 HydrophobicContact CB-CG2 4.03Å; V624-V663 HydrophobicContact CB-CG1 4.19Å; V624-V663 HydrophobicContact CG1-CG1 3.94Å; V624-V663 HydrophobicContact CG2-CB 4.16Å; V624-V663 HydrophobicContact CG2-CG1 3.34Å; T661-V663 HydrophobicContact CG2-CG1 4.21Å
664	W	78.7	Confident	87.3	Confident	77 Å²	77	63.1 Å²	63.1	29%	0.292	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	178.3	-179	59.1	85.6	0	0	0	110.4	S443 C617 G618 A620 D662	S443-W664 WeakPolarHBondContact OG-CZ3 2.96Å; C617-W664 WeakPolarHBondContact SG-CH2 3.27Å; C617-W664 WeakPolarHBondContact SG-CZ3 3.22Å; G618-W664 PolarHBondContact O-N 2.92Å; A620-W664 PolarHBondContact N-O 3.01Å; D662-W664 WeakPolarHBondContact O-CZ3 3.37Å
665	K	68.3	Low	87.1	Confident	217 Å²	217	66.5 Å²	66.5	94%	0.943	30%	0.302	S	S	*	.			trans	-120.1	0	175.7	-173.5	177.3	178.6	-179.5	0	110.6

Retrieved 665 of 665 residues in 914.3 ms (Link to these results)

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