A0A5K4F5Q5_SCHMA Loading...

Membrane protein, palmitoylated 4a (MAGUK p55 subfamily member 4)

AlphaFold DB , UniProt , Accession A0A5K4F5Q5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 635 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	40.8	Very low	38.5	Very low	187 Å²	187	118.9 Å²	118.9	92%	0.921	71%	0.714	S	S	*	*				0	-47.5	0	-70.9	-174.3	-161.1	0	0	113.7	L3 A4 F5	M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 2.89Å; M1-A4 PolarHBondContact O-N 2.84Å; M1-F5 WeakPolarHBondContact O-CD2 3.24Å
2	S	32.5	Very low	38.4	Very low	78 Å²	78	115.3 Å²	115.3	55%	0.545	72%	0.719	S	S	.	*	H	α-helix	trans	-66.9	-20.4	-175.4	-168.8	0	0	0	0	117
3	L	36.7	Very low	39.1	Very low	167 Å²	167	119.8 Å²	119.8	87%	0.874	74%	0.736	S	S	*	*	H	α-helix	trans	-86.2	-15.3	-176.7	-77.6	160.1	0	0	0	114.1	M1	M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 2.89Å
4	A	36.8	Very low	39.9	Very low	76 Å²	76	120.4 Å²	120.4	63%	0.628	73%	0.726	S	S	*	*	H	α-helix	trans	-89.6	-22.3	177.3	0	0	0	0	0	113.2	M1	M1-A4 PolarHBondContact O-N 2.84Å
5	F	37.3	Very low	40.7	Very low	153 Å²	153	120.4 Å²	120.4	67%	0.671	72%	0.72	S	S	*	*	H	α-helix	trans	-85.8	-21.6	-179.2	-76.1	-80.7	0	0	0	113.8	M1	M1-F5 WeakPolarHBondContact O-CD2 3.24Å
6	G	37.3	Very low	41.5	Very low	66 Å²	66	118.2 Å²	118.2	68%	0.68	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-16.9	-173.4	0	0	0	0	0	116.2
7	T	37.5	Very low	42	Very low	109 Å²	109	118.5 Å²	118.5	67%	0.669	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-4.9	-179.5	45.7	0	0	0	0	113.3	A9	T7-A9 VanDerWaalsContact C-N 3.32Å; T7-A9 PolarHBondContact O-N 2.78Å
8	C	37.2	Very low	42.8	Very low	94 Å²	94	115.2 Å²	115.2	64%	0.635	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-4.7	-169.7	-150.8	0	0	0	0	114.9
9	A	38.7	Very low	43.4	Very low	96 Å²	96	116.6 Å²	116.6	79%	0.793	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	1.6	-175.2	0	0	0	0	0	115.1	T7	T7-A9 VanDerWaalsContact C-N 3.32Å; T7-A9 PolarHBondContact O-N 2.78Å
10	K	44.7	Very low	44.1	Very low	202 Å²	202	116.9 Å²	116.9	88%	0.878	68%	0.677	S	S	*	*	S	Bend	trans	-128.4	4.4	-166.8	-74.1	-169.8	177.4	-178.9	0	118
11	S	43.8	Very low	44.9	Very low	80 Å²	80	114.2 Å²	114.2	56%	0.559	67%	0.665	S	S	*	*			trans	-130	102.3	174.9	64.2	0	0	0	0	111.2
12	G	38	Very low	46.2	Very low	75 Å²	75	111.9 Å²	111.9	77%	0.773	65%	0.65	S	S	*	*			trans	-66.8	156.1	169.2	0	0	0	0	0	111.7
13	N	47.2	Very low	47.8	Very low	175 Å²	175	111.6 Å²	111.6	94%	0.936	65%	0.645	S	S	*	*	S	Bend	trans	81.9	19.8	165.9	-87.1	-2.9	0	0	0	120.9
14	E	49.6	Very low	49.4	Very low	128 Å²	128	110.6 Å²	110.6	60%	0.598	63%	0.63	S	S	*	*	S	Bend	trans	-123.2	131.9	162.3	-74.5	-172	173.8	0	0	112.4	V16 R19	E14-V16 PolarHBondContact O-N 2.72Å; E14-R19 IonicContact OE2-CZ 3.98Å; E14-R19 IonicContact OE2-NE 3.11Å; E14-R19 IonicContact OE2-NH2 2.77Å; E14-R19 PolarHBondContact OE2-NH2 3.39Å
15	N	52.9	Low	50.9	Low	120 Å²	120	112.3 Å²	112.3	64%	0.642	63%	0.625	S	S	*	*			trans	-52.5	99	-167.7	-158.2	-7.2	0	0	0	111.8	N17 A18	N15-N17 PolarHBondContact O-N 3.25Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N15-A18 HydrophobicContact CB-CB 4.29Å; N15-A18 WeakPolarHBondContact O-CB 3.45Å; N15-A18 PolarHBondContact O-N 3.15Å
16	V	52.9	Low	52.5	Low	85 Å²	85	110.5 Å²	110.5	52%	0.515	62%	0.619	S	S	.	*	H	α-helix	trans	-51.1	-38.8	-174.2	174.2	0	0	0	0	111.5	E14 A18 R19 F20	E14-V16 PolarHBondContact O-N 2.72Å; V16-A18 PolarHBondContact O-N 2.83Å; V16-R19 PolarHBondContact O-N 3.48Å; V16-F20 HydrophobicContact CG1-CD2 3.62Å; V16-F20 HydrophobicContact CG1-CE2 3.36Å; V16-F20 WeakPolarHBondContact O-CD2 3.48Å; V16-F20 PolarHBondContact O-N 3.23Å; V16-F20 VanDerWaalsContact O-N 3.13Å
17	N	50.7	Low	53.9	Low	124 Å²	124	111.4 Å²	111.4	66%	0.663	61%	0.607	S	S	*	*	H	α-helix	trans	-64	-36.4	178.7	-70.6	-17.9	0	0	0	113.8	N15 F20 S21	N15-N17 PolarHBondContact O-N 3.25Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N17-F20 PolarHBondContact O-N 3.36Å; N17-S21 PolarHBondContact O-N 3.19Å
18	A	55	Low	55.4	Low	58 Å²	58	111 Å²	111	48%	0.479	60%	0.598	S	S	.	*	H	α-helix	trans	-69.9	-37.3	-179.6	0	0	0	0	0	111.9	N15 V16 K22	N15-A18 HydrophobicContact CB-CB 4.29Å; N15-A18 WeakPolarHBondContact O-CB 3.45Å; N15-A18 PolarHBondContact O-N 3.15Å; V16-A18 PolarHBondContact O-N 2.83Å; A18-K22 PolarHBondContact O-N 3.24Å; A18-K22 VanDerWaalsContact O-N 3.12Å
19	R	54.4	Low	57	Low	142 Å²	142	111.6 Å²	111.6	54%	0.536	59%	0.594	S	S	.	*	H	α-helix	trans	-69.7	-37.2	174.5	-78	-174	-178.3	-177.5	1.9	111.9	E14 V16 T23	E14-R19 IonicContact OE2-CZ 3.98Å; E14-R19 IonicContact OE2-NE 3.11Å; E14-R19 IonicContact OE2-NH2 2.77Å; E14-R19 PolarHBondContact OE2-NH2 3.39Å; V16-R19 PolarHBondContact O-N 3.48Å; R19-T23 WeakPolarHBondContact O-CB 3.36Å; R19-T23 PolarHBondContact O-N 3.45Å; R19-T23 PolarHBondContact O-OG1 3.03Å
20	F	57.4	Low	58.2	Low	122 Å²	122	112.2 Å²	112.2	54%	0.535	58%	0.584	S	S	.	*	H	α-helix	trans	-62.2	-45.9	173.1	-83.9	-67.5	0	0	0	112	V16 N17 K22 T23 Y24	V16-F20 HydrophobicContact CG1-CD2 3.62Å; V16-F20 HydrophobicContact CG1-CE2 3.36Å; V16-F20 WeakPolarHBondContact O-CD2 3.48Å; V16-F20 PolarHBondContact O-N 3.23Å; V16-F20 VanDerWaalsContact O-N 3.13Å; N17-F20 PolarHBondContact O-N 3.36Å; F20-K22 PolarHBondContact O-N 3.41Å; F20-T23 PolarHBondContact O-N 3.05Å; F20-Y24 WeakPolarHBondContact O-CB 3.49Å; F20-Y24 PolarHBondContact O-N 2.96Å
21	S	61.4	Low	59.2	Low	62 Å²	62	106.5 Å²	106.5	43%	0.434	56%	0.562	S	S	.	*	H	α-helix	trans	-58	-49	177.1	-160.7	0	0	0	0	111.8	N17 T23 Y24 E25	N17-S21 PolarHBondContact O-N 3.19Å; S21-T23 VanDerWaalsContact C-N 3.32Å; S21-T23 PolarHBondContact O-N 3.16Å; S21-Y24 PolarHBondContact O-N 2.99Å; S21-E25 WeakPolarHBondContact O-CG 3.41Å; S21-E25 PolarHBondContact O-N 3.15Å; S21-E25 PolarHBondContact OG-OE1 2.81Å
22	K	67.4	Low	60.3	Low	137 Å²	137	107 Å²	107	60%	0.596	57%	0.565	S	S	*	*	H	α-helix	trans	-64.8	-36.3	-178.9	-163.7	172.5	-173.7	175.1	0	112.9	A18 F20 Q26	A18-K22 PolarHBondContact O-N 3.24Å; A18-K22 VanDerWaalsContact O-N 3.12Å; F20-K22 PolarHBondContact O-N 3.41Å; K22-Q26 WeakPolarHBondContact O-CG 3.46Å; K22-Q26 PolarHBondContact O-N 3.39Å; K22-Q26 VanDerWaalsContact O-N 3.13Å
23	T	67.9	Low	61.7	Low	72 Å²	72	110.2 Å²	110.2	44%	0.442	56%	0.561	S	S	.	*	H	α-helix	trans	-70.3	-40.4	176.5	-48.5	0	0	0	0	110.7	R19 F20 S21 Q26 I27	R19-T23 WeakPolarHBondContact O-CB 3.36Å; R19-T23 PolarHBondContact O-N 3.45Å; R19-T23 PolarHBondContact O-OG1 3.03Å; F20-T23 PolarHBondContact O-N 3.05Å; S21-T23 VanDerWaalsContact C-N 3.32Å; S21-T23 PolarHBondContact O-N 3.16Å; T23-Q26 PolarHBondContact O-N 3.46Å; T23-I27 HydrophobicContact CG2-CD1 4.12Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.46Å; T23-I27 PolarHBondContact O-N 2.97Å
24	Y	68.6	Low	62.3	Low	146 Å²	146	105.2 Å²	105.2	57%	0.573	54%	0.544	S	S	*	.	H	α-helix	trans	-64.2	-45.2	176.8	-173.1	-90.2	0	0	0	111.6	F20 S21 Q26 I27 E28	F20-Y24 WeakPolarHBondContact O-CB 3.49Å; F20-Y24 PolarHBondContact O-N 2.96Å; S21-Y24 PolarHBondContact O-N 2.99Å; Y24-Q26 VanDerWaalsContact C-N 3.34Å; Y24-Q26 PolarHBondContact O-N 3.4Å; Y24-I27 PolarHBondContact O-N 3.32Å; Y24-I27 VanDerWaalsContact O-N 3.15Å; Y24-E28 HydrophobicContact CD1-CG 4.31Å; Y24-E28 HydrophobicContact CE1-CG 3.8Å; Y24-E28 WeakPolarHBondContact CE1-OE1 3.42Å; Y24-E28 PolarHBondContact O-N 3.38Å; Y24-E28 PolarHBondContact OH-OE1 3.33Å; Y24-E28 VanDerWaalsContact OH-OE1 3.09Å
25	E	69.2	Low	62.9	Low	112 Å²	112	106.5 Å²	106.5	52%	0.523	55%	0.547	S	S	.	.	H	α-helix	trans	-58.2	-42.7	173.9	-76.3	166.4	-156.4	0	0	112.3	S21 E28 L29	S21-E25 WeakPolarHBondContact O-CG 3.41Å; S21-E25 PolarHBondContact O-N 3.15Å; S21-E25 PolarHBondContact OG-OE1 2.81Å; E25-E28 PolarHBondContact O-N 2.91Å; E25-L29 WeakPolarHBondContact O-CB 3.27Å; E25-L29 PolarHBondContact O-N 3.35Å
26	Q	70.2	Confident	63.7	Low	116 Å²	116	105.6 Å²	105.6	54%	0.542	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-38.5	175.8	-78	-179.5	-25.6	0	0	112.5	K22 T23 Y24 L30	K22-Q26 WeakPolarHBondContact O-CG 3.46Å; K22-Q26 PolarHBondContact O-N 3.39Å; K22-Q26 VanDerWaalsContact O-N 3.13Å; T23-Q26 PolarHBondContact O-N 3.46Å; Y24-Q26 VanDerWaalsContact C-N 3.34Å; Y24-Q26 PolarHBondContact O-N 3.4Å; Q26-L30 WeakPolarHBondContact O-CB 3.18Å; Q26-L30 VanDerWaalsContact O-CG 3.3Å; Q26-L30 WeakPolarHBondContact O-CG 3.46Å; Q26-L30 PolarHBondContact O-N 2.87Å
27	I	67.2	Low	64.5	Low	85 Å²	85	108.7 Å²	108.7	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-45.1	176	-70.2	166.8	0	0	0	110	T23 Y24 L29 L30 L31	T23-I27 HydrophobicContact CG2-CD1 4.12Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.46Å; T23-I27 PolarHBondContact O-N 2.97Å; Y24-I27 PolarHBondContact O-N 3.32Å; Y24-I27 VanDerWaalsContact O-N 3.15Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.24Å; I27-L30 PolarHBondContact O-N 2.93Å; I27-L31 HydrophobicContact CG2-CD1 3.65Å; I27-L31 HydrophobicContact CG2-CG 4.08Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 WeakPolarHBondContact O-CG 3.28Å; I27-L31 PolarHBondContact O-N 2.89Å
28	E	68.7	Low	65.8	Low	101 Å²	101	105.3 Å²	105.3	47%	0.472	54%	0.541	S	S	.	.	H	α-helix	trans	-60.2	-43	175.3	-86	-168	162.6	0	0	112.1	Y24 E25 L30 L31 S32	Y24-E28 HydrophobicContact CD1-CG 4.31Å; Y24-E28 HydrophobicContact CE1-CG 3.8Å; Y24-E28 WeakPolarHBondContact CE1-OE1 3.42Å; Y24-E28 PolarHBondContact O-N 3.38Å; Y24-E28 PolarHBondContact OH-OE1 3.33Å; Y24-E28 VanDerWaalsContact OH-OE1 3.09Å; E25-E28 PolarHBondContact O-N 2.91Å; E28-L30 PolarHBondContact O-N 3.16Å; E28-L31 PolarHBondContact O-N 3.42Å; E28-S32 WeakPolarHBondContact O-CB 3.17Å; E28-S32 PolarHBondContact O-N 2.73Å
29	L	71.1	Confident	67.1	Low	105 Å²	105	110.9 Å²	110.9	55%	0.55	56%	0.561	S	S	.	*	H	α-helix	trans	-59.2	-47	175.8	-168.7	79.2	0	0	0	111.2	E25 I27 S32 Q33	E25-L29 WeakPolarHBondContact O-CB 3.27Å; E25-L29 PolarHBondContact O-N 3.35Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.24Å; L29-S32 PolarHBondContact O-N 2.93Å; L29-S32 PolarHBondContact O-OG 3.44Å; L29-Q33 PolarHBondContact O-N 3.02Å
30	L	64.5	Low	68.6	Low	110 Å²	110	106 Å²	106	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-64.7	-43.1	177.6	-72.8	169	0	0	0	112.1	Q26 I27 E28 S32 Q33 A34	Q26-L30 WeakPolarHBondContact O-CB 3.18Å; Q26-L30 VanDerWaalsContact O-CG 3.3Å; Q26-L30 WeakPolarHBondContact O-CG 3.46Å; Q26-L30 PolarHBondContact O-N 2.87Å; I27-L30 PolarHBondContact O-N 2.93Å; E28-L30 PolarHBondContact O-N 3.16Å; L30-S32 PolarHBondContact O-N 3.09Å; L30-Q33 PolarHBondContact O-N 2.85Å; L30-A34 PolarHBondContact O-N 3Å
31	L	65.2	Low	70.1	Confident	81 Å²	81	104.9 Å²	104.9	42%	0.424	55%	0.548	S	S	.	.	H	α-helix	trans	-65.9	-25.1	177.4	-70.3	176.1	0	0	0	112.8	I27 E28 P36	I27-L31 HydrophobicContact CG2-CD1 3.65Å; I27-L31 HydrophobicContact CG2-CG 4.08Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 WeakPolarHBondContact O-CG 3.28Å; I27-L31 PolarHBondContact O-N 2.89Å; E28-L31 PolarHBondContact O-N 3.42Å; L31-P36 HydrophobicContact CD2-CG 3.88Å
32	S	66.4	Low	71.5	Confident	90 Å²	90	105.1 Å²	105.1	63%	0.629	55%	0.549	S	S	*	.	H	α-helix	trans	-74.7	-29.4	174.9	79.4	0	0	0	0	113.2	E28 L29 L30	E28-S32 WeakPolarHBondContact O-CB 3.17Å; E28-S32 PolarHBondContact O-N 2.73Å; L29-S32 PolarHBondContact O-N 2.93Å; L29-S32 PolarHBondContact O-OG 3.44Å; L30-S32 PolarHBondContact O-N 3.09Å
33	Q	68	Low	72.7	Confident	144 Å²	144	99.7 Å²	99.7	67%	0.673	53%	0.529	S	S	*	.	H	α-helix	trans	-82	-41	-179.5	-69	177.6	-5.8	0	0	112.1	L29 L30	L29-Q33 PolarHBondContact O-N 3.02Å; L30-Q33 PolarHBondContact O-N 2.85Å
34	A	60.6	Low	73.8	Confident	70 Å²	70	100.5 Å²	100.5	58%	0.579	53%	0.527	S	S	*	.			trans	-157.1	130.1	174.5	0	0	0	0	0	110.2	L30 P36	L30-A34 PolarHBondContact O-N 3Å; A34-P36 VanDerWaalsContact O-CD 3.31Å; A34-P36 WeakPolarHBondContact O-CD 3.43Å
35	K	62	Low	74.8	Confident	154 Å²	154	96.2 Å²	96.2	67%	0.67	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-71.6	117.8	170.1	-75.2	-177.7	179.8	176.6	0	108.5	Q37	K35-Q37 PolarHBondContact O-N 3.18Å
36	P	69.4	Low	75.9	Confident	102 Å²	102	93.2 Å²	93.2	66%	0.662	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-62.1	122.2	178.1	24.8	-32	0	0	0	109	L31 A34	L31-P36 HydrophobicContact CD2-CG 3.88Å; A34-P36 VanDerWaalsContact O-CD 3.31Å; A34-P36 WeakPolarHBondContact O-CD 3.43Å
37	Q	68.9	Low	77	Confident	150 Å²	150	88.5 Å²	88.5	70%	0.701	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-99.8	140.3	172.9	-65.7	-66.5	-17.3	0	0	108.9	K35 I39	K35-Q37 PolarHBondContact O-N 3.18Å; Q37-I39 PolarHBondContact O-N 3.12Å
38	P	79.1	Confident	78.1	Confident	52 Å²	52	88.5 Å²	88.5	34%	0.338	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-63.8	128.8	173.5	29	-34.3	0	0	0	109.5	S40 L41 A86	P38-S40 PolarHBondContact O-N 3.05Å; P38-L41 HydrophobicContact CG-CD2 4.3Å; P38-A86 HydrophobicContact CB-CB 3.46Å; P38-A86 VanDerWaalsContact CB-CB 3.46Å; P38-A86 HydrophobicContact CG-CB 3.73Å
39	I	81.7	Confident	79.2	Confident	176 Å²	176	90.6 Å²	90.6	90%	0.903	51%	0.507	S	S	*	.	S	Bend	trans	-68.5	-26	178	-63.4	171.2	0	0	0	110.9	Q37	Q37-I39 PolarHBondContact O-N 3.12Å
40	S	86.3	Confident	80.2	Confident	40 Å²	40	87.3 Å²	87.3	28%	0.28	50%	0.495	S	S	.	.			trans	-142.4	152.8	178.2	175.8	0	0	0	0	110.5	P38 C42 H82	P38-S40 PolarHBondContact O-N 3.05Å; S40-C42 PolarHBondContact OG-N 3.46Å; S40-C42 VanDerWaalsContact OG-N 3.1Å; S40-H82 PolarHBondContact O-CE1 3.09Å
41	L	87.9	Confident	81.5	Confident	98 Å²	98	85.7 Å²	85.7	51%	0.513	48%	0.482	S	S	.	.	S	Bend	trans	-94.3	-5.6	171.9	-59.3	178.6	0	0	0	112.7	P38 A86 N87	P38-L41 HydrophobicContact CG-CD2 4.3Å; L41-A86 HydrophobicContact CD2-CB 3.96Å; L41-N87 PolarHBondContact O-ND2 3.24Å
42	C	91.1	Very high	82.8	Confident	67 Å²	67	85.5 Å²	85.5	45%	0.453	48%	0.481	S	S	.	.			trans	-141.6	37.2	-169.7	61.7	0	0	0	0	113.3	S40 K44 A45 A46 D83	S40-C42 PolarHBondContact OG-N 3.46Å; S40-C42 VanDerWaalsContact OG-N 3.1Å; C42-K44 PolarHBondContact O-N 3.02Å; C42-K44 VanDerWaalsContact O-N 3.16Å; C42-A45 HydrophobicContact CB-CB 4.28Å; C42-A45 PolarHBondContact O-N 3.03Å; C42-A46 PolarHBondContact O-N 2.91Å; C42-A46 VanDerWaalsContact O-N 3.12Å; C42-D83 VanDerWaalsContact C-OD2 3.32Å; C42-D83 WeakPolarHBondContact CA-OD2 3.45Å
43	A	92.1	Very high	83.9	Confident	22 Å²	22	87.2 Å²	87.2	18%	0.182	48%	0.479	C	S	.	.	H	α-helix	trans	-58.9	-30.5	-176.6	0	0	0	0	0	112.8	A47 L79 H82 D83	A43-A47 VanDerWaalsContact O-CB 3.28Å; A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 3.14Å; A43-L79 HydrophobicContact CB-CD2 3.84Å; A43-H82 WeakPolarHBondContact CB-ND1 3.41Å; A43-D83 WeakPolarHBondContact CB-OD1 3.06Å; A43-D83 PolarHBondContact N-OD1 3.07Å; A43-D83 PolarHBondContact N-OD2 2.88Å
44	K	91.9	Very high	85	Confident	89 Å²	89	82.2 Å²	82.2	39%	0.387	46%	0.457	S	S	.	.	H	α-helix	trans	-64.6	-45	173.2	-178.4	-172.1	168.4	-169.2	0	111.7	C42 A47 I48 L79 L80 D83	C42-K44 PolarHBondContact O-N 3.02Å; C42-K44 VanDerWaalsContact O-N 3.16Å; K44-A47 PolarHBondContact O-N 3.04Å; K44-I48 HydrophobicContact CG-CD1 4.09Å; K44-I48 VanDerWaalsContact O-CG1 3.31Å; K44-I48 WeakPolarHBondContact O-CG1 3.28Å; K44-I48 PolarHBondContact O-N 3.09Å; K44-L79 HydrophobicContact CB-CB 4.18Å; K44-L80 HydrophobicContact CD-CD1 4.14Å; K44-D83 WeakPolarHBondContact CB-OD2 3.14Å; K44-D83 PolarHBondContact N-OD2 3.22Å
45	A	90.3	Very high	86.4	Confident	56 Å²	56	86.1 Å²	86.1	46%	0.463	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-46.2	-179.3	0	0	0	0	0	110.7	C42 A47 I48 E49	C42-A45 HydrophobicContact CB-CB 4.28Å; C42-A45 PolarHBondContact O-N 3.03Å; A45-A47 VanDerWaalsContact C-N 3.3Å; A45-A47 PolarHBondContact O-N 2.94Å; A45-I48 PolarHBondContact O-N 2.88Å; A45-I48 VanDerWaalsContact O-N 3.11Å; A45-E49 PolarHBondContact O-N 3.07Å
46	A	91.9	Very high	87.6	Confident	49 Å²	49	82.8 Å²	82.8	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-59.3	-40.1	175.3	0	0	0	0	0	112.4	C42 E49 A50	C42-A46 PolarHBondContact O-N 2.91Å; C42-A46 VanDerWaalsContact O-N 3.12Å; A46-E49 PolarHBondContact O-N 2.87Å; A46-A50 WeakPolarHBondContact O-CB 3.11Å; A46-A50 PolarHBondContact O-N 3.15Å
47	A	93.2	Very high	88.5	Confident	17 Å²	17	80.4 Å²	80.4	14%	0.14	43%	0.431	C	S	.	.	H	α-helix	trans	-67.1	-33.9	176	0	0	0	0	0	113.4	A43 K44 A45 Y51 L70 L79	A43-A47 VanDerWaalsContact O-CB 3.28Å; A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 3.14Å; K44-A47 PolarHBondContact O-N 3.04Å; A45-A47 VanDerWaalsContact C-N 3.3Å; A45-A47 PolarHBondContact O-N 2.94Å; A47-Y51 VanDerWaalsContact O-CB 3.25Å; A47-Y51 WeakPolarHBondContact O-CB 3.33Å; A47-Y51 PolarHBondContact O-N 3.42Å; A47-L70 HydrophobicContact CB-CD2 4.06Å; A47-L79 HydrophobicContact CB-CD1 3.38Å
48	I	91	Very high	89.2	Confident	85 Å²	85	80 Å²	80	44%	0.436	43%	0.429	S	S	.	.	H	α-helix	trans	-68.3	-45.8	174.8	-69	164.8	0	0	0	110	K44 A45 A50 Y51 D52	K44-I48 HydrophobicContact CG-CD1 4.09Å; K44-I48 VanDerWaalsContact O-CG1 3.31Å; K44-I48 WeakPolarHBondContact O-CG1 3.28Å; K44-I48 PolarHBondContact O-N 3.09Å; A45-I48 PolarHBondContact O-N 2.88Å; A45-I48 VanDerWaalsContact O-N 3.11Å; I48-A50 PolarHBondContact O-N 3.48Å; I48-Y51 WeakPolarHBondContact O-CB 3.49Å; I48-Y51 PolarHBondContact O-N 3.46Å; I48-D52 PolarHBondContact O-N 3.37Å
49	E	90.7	Very high	89.8	Confident	146 Å²	146	84.7 Å²	84.7	68%	0.682	44%	0.441	S	S	*	.	H	α-helix	trans	-59.8	-46.3	176.5	-173.7	-179.9	-177.9	0	0	111.5	A45 A46 Y51 D52 H53	A45-E49 PolarHBondContact O-N 3.07Å; A46-E49 PolarHBondContact O-N 2.87Å; E49-Y51 VanDerWaalsContact C-N 3.34Å; E49-Y51 PolarHBondContact O-N 3.45Å; E49-D52 PolarHBondContact O-N 2.81Å; E49-H53 WeakPolarHBondContact O-CB 3.41Å; E49-H53 PolarHBondContact O-N 2.96Å
50	A	91.7	Very high	90.3	Very high	36 Å²	36	79.5 Å²	79.5	30%	0.298	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-42.4	174.6	0	0	0	0	0	111.9	A46 I48 L54 L70	A46-A50 WeakPolarHBondContact O-CB 3.11Å; A46-A50 PolarHBondContact O-N 3.15Å; I48-A50 PolarHBondContact O-N 3.48Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CD1 3.4Å; A50-L54 WeakPolarHBondContact O-CG 3.41Å; A50-L54 PolarHBondContact O-N 3Å; A50-L70 HydrophobicContact CB-CD1 4.32Å
51	Y	93.4	Very high	90.6	Very high	76 Å²	76	81.2 Å²	81.2	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-47.2	176.7	-179.2	-89.9	0	0	0	111.8	A47 I48 E49 L54 R55 V67 L70 A71	A47-Y51 VanDerWaalsContact O-CB 3.25Å; A47-Y51 WeakPolarHBondContact O-CB 3.33Å; A47-Y51 PolarHBondContact O-N 3.42Å; I48-Y51 WeakPolarHBondContact O-CB 3.49Å; I48-Y51 PolarHBondContact O-N 3.46Å; E49-Y51 VanDerWaalsContact C-N 3.34Å; E49-Y51 PolarHBondContact O-N 3.45Å; Y51-L54 PolarHBondContact O-N 3.27Å; Y51-R55 WeakPolarHBondContact O-CB 3.37Å; Y51-R55 PolarHBondContact O-N 3.36Å; Y51-V67 HydrophobicContact CD2-CB 4.48Å; Y51-V67 HydrophobicContact CD2-CG1 3.98Å; Y51-V67 HydrophobicContact CE2-CB 4.41Å; Y51-V67 HydrophobicContact CE2-CG1 3.5Å; Y51-V67 WeakPolarHBondContact CE2-O 3.49Å; Y51-L70 HydrophobicContact CD2-CB 4.06Å; Y51-A71 HydrophobicContact CE2-CB 4.01Å
52	D	90.5	Very high	90.8	Very high	77 Å²	77	82.7 Å²	82.7	41%	0.412	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-37.9	-178.7	-79.6	-28.2	0	0	0	112.3	I48 E49 R55	I48-D52 PolarHBondContact O-N 3.37Å; E49-D52 PolarHBondContact O-N 2.81Å; D52-R55 IonicContact OD1-NH1 3.42Å
53	H	89.8	Confident	90.9	Very high	126 Å²	126	79.9 Å²	79.9	58%	0.583	41%	0.41	S	S	*	.	H	α-helix	trans	-69.8	-42.9	176	-163.8	-67.2	0	0	0	111.8	E49 H57	E49-H53 WeakPolarHBondContact O-CB 3.41Å; E49-H53 PolarHBondContact O-N 2.96Å; H53-H57 AromaticContact CE1-NE2 3.49Å; H53-H57 PolarHBondContact CE1-NE2 3.15Å; H53-H57 AromaticContact ND1-CD2 3.78Å; H53-H57 AromaticContact ND1-NE2 3.59Å; H53-H57 PolarHBondContact O-CD2 3.32Å; H53-H57 VanDerWaalsContact O-CD2 3.24Å
54	L	92.2	Very high	90.9	Very high	39 Å²	39	83.8 Å²	83.8	20%	0.204	43%	0.425	C	S	.	.	H	α-helix	trans	-78.7	-23.3	-175	-67.1	170.8	0	0	0	113.6	A50 Y51 C56 H57 A63 L66 V67	A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CD1 3.4Å; A50-L54 WeakPolarHBondContact O-CG 3.41Å; A50-L54 PolarHBondContact O-N 3Å; Y51-L54 PolarHBondContact O-N 3.27Å; L54-C56 PolarHBondContact O-N 2.84Å; L54-C56 VanDerWaalsContact O-N 3.12Å; L54-H57 PolarHBondContact O-N 3.28Å; L54-A63 HydrophobicContact CB-CB 4.47Å; L54-A63 HydrophobicContact CD2-CB 3.97Å; L54-L66 HydrophobicContact CD1-CB 4.45Å; L54-L66 HydrophobicContact CD1-CD2 3.58Å; L54-L66 HydrophobicContact CD1-CG 4.1Å; L54-V67 HydrophobicContact CB-CG2 3.5Å; L54-V67 VanDerWaalsContact CB-CG2 3.5Å
55	R	89	Confident	90.9	Very high	152 Å²	152	86.2 Å²	86.2	57%	0.574	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.3	179.7	90.4	-174.9	-163.7	-169.7	5	113	Y51 D52 H57	Y51-R55 WeakPolarHBondContact O-CB 3.37Å; Y51-R55 PolarHBondContact O-N 3.36Å; D52-R55 IonicContact OD1-NH1 3.42Å; R55-H57 VanDerWaalsContact C-N 3.31Å
56	C	88.7	Confident	91	Very high	84 Å²	84	87 Å²	87	57%	0.568	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.2	177.8	-62.4	0	0	0	0	112.9	L54	L54-C56 PolarHBondContact O-N 2.84Å; L54-C56 VanDerWaalsContact O-N 3.12Å
57	H	88.2	Confident	91.1	Very high	52 Å²	52	85.6 Å²	85.6	24%	0.241	42%	0.42	C	S	.	.			trans	-108.8	39	-177.7	-60.9	-56.7	0	0	0	112.4	H53 L54 R55 Y59 I60 A63	H53-H57 AromaticContact CE1-NE2 3.49Å; H53-H57 PolarHBondContact CE1-NE2 3.15Å; H53-H57 AromaticContact ND1-CD2 3.78Å; H53-H57 AromaticContact ND1-NE2 3.59Å; H53-H57 PolarHBondContact O-CD2 3.32Å; H53-H57 VanDerWaalsContact O-CD2 3.24Å; L54-H57 PolarHBondContact O-N 3.28Å; R55-H57 VanDerWaalsContact C-N 3.31Å; H57-Y59 HydrophobicContact CB-CE1 4.26Å; H57-Y59 AromaticContact ND1-CE1 3.78Å; H57-Y59 AromaticContact ND1-CZ 3.56Å; H57-Y59 PolarHBondContact ND1-OH 3.4Å; H57-Y59 PolarHBondContact O-N 3.05Å; H57-I60 HydrophobicContact CB-CD1 4.27Å; H57-I60 PolarHBondContact O-N 3.45Å; H57-A63 HydrophobicContact CB-CB 4.44Å
58	H	83.4	Confident	91.1	Very high	140 Å²	140	89.1 Å²	89.1	65%	0.648	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-12.4	-179.2	61.8	24	0	0	0	114.9	I60	H58-I60 VanDerWaalsContact C-N 3.29Å
59	Y	90.8	Very high	91.3	Very high	152 Å²	152	88.7 Å²	88.7	60%	0.596	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	178.7	55.8	-94.5	0	0	0	112.8	H57	H57-Y59 HydrophobicContact CB-CE1 4.26Å; H57-Y59 AromaticContact ND1-CE1 3.78Å; H57-Y59 AromaticContact ND1-CZ 3.56Å; H57-Y59 PolarHBondContact ND1-OH 3.4Å; H57-Y59 PolarHBondContact O-N 3.05Å
60	I	93.2	Very high	91.5	Very high	67 Å²	67	82.9 Å²	82.9	34%	0.344	41%	0.408	S	S	.	.	S	Bend	trans	-101	112.9	174.7	-53.7	178.7	0	0	0	107.6	H57 H58 E62 A63 E64	H57-I60 HydrophobicContact CB-CD1 4.27Å; H57-I60 PolarHBondContact O-N 3.45Å; H58-I60 VanDerWaalsContact C-N 3.29Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 HydrophobicContact CG2-CB 4.47Å; I60-E62 WeakPolarHBondContact CG2-OE2 3.26Å; I60-E62 PolarHBondContact O-N 3.45Å; I60-A63 HydrophobicContact CB-CB 3.85Å; I60-A63 HydrophobicContact CG2-CB 4.18Å; I60-A63 WeakPolarHBondContact O-CB 3.39Å; I60-A63 PolarHBondContact O-N 3.42Å; I60-E64 PolarHBondContact O-N 3.2Å; I60-E64 VanDerWaalsContact O-N 3.07Å
61	P	91.8	Very high	91.5	Very high	75 Å²	75	82.8 Å²	82.8	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-56.4	-38.4	-176.1	-26.7	34.8	0	0	0	113.9	E64 Q65	P61-E64 PolarHBondContact O-N 3.33Å; P61-Q65 WeakPolarHBondContact O-CG 3.42Å; P61-Q65 PolarHBondContact O-N 2.84Å
62	E	92.4	Very high	91.6	Very high	129 Å²	129	86.3 Å²	86.3	60%	0.603	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-37.3	178.6	-61.9	74.8	-164.7	0	0	111.4	I60 Q65 L66	I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 HydrophobicContact CG2-CB 4.47Å; I60-E62 WeakPolarHBondContact CG2-OE2 3.26Å; I60-E62 PolarHBondContact O-N 3.45Å; E62-Q65 PolarHBondContact O-N 3.48Å; E62-L66 WeakPolarHBondContact O-CB 3.45Å; E62-L66 PolarHBondContact O-N 3Å
63	A	92.2	Very high	91.7	Very high	8 Å²	8	87 Å²	87	7%	0.066	43%	0.429	C	S	.	.	H	α-helix	trans	-65.7	-43.4	175.1	0	0	0	0	0	110.7	L54 H57 I60 Q65 L66 V67	L54-A63 HydrophobicContact CB-CB 4.47Å; L54-A63 HydrophobicContact CD2-CB 3.97Å; H57-A63 HydrophobicContact CB-CB 4.44Å; I60-A63 HydrophobicContact CB-CB 3.85Å; I60-A63 HydrophobicContact CG2-CB 4.18Å; I60-A63 WeakPolarHBondContact O-CB 3.39Å; I60-A63 PolarHBondContact O-N 3.42Å; A63-Q65 PolarHBondContact O-N 3.24Å; A63-L66 PolarHBondContact O-N 3.43Å; A63-V67 WeakPolarHBondContact O-CB 3.39Å; A63-V67 WeakPolarHBondContact O-CG2 3.25Å; A63-V67 PolarHBondContact O-N 2.91Å
64	E	92	Very high	91.9	Very high	105 Å²	105	87.5 Å²	87.5	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-42.6	176.1	-173	-179.5	-163.5	0	0	111.9	I60 P61 L66 V67 N68	I60-E64 PolarHBondContact O-N 3.2Å; I60-E64 VanDerWaalsContact O-N 3.07Å; P61-E64 PolarHBondContact O-N 3.33Å; E64-L66 PolarHBondContact O-N 2.98Å; E64-V67 PolarHBondContact O-N 3.12Å; E64-N68 WeakPolarHBondContact O-CB 3.44Å; E64-N68 PolarHBondContact O-N 3.34Å; E64-N68 PolarHBondContact O-ND2 3.05Å; E64-N68 VanDerWaalsContact O-ND2 3.12Å
65	Q	93.1	Very high	92	Very high	139 Å²	139	87.9 Å²	87.9	65%	0.65	43%	0.433	S	S	*	.	H	α-helix	trans	-61	-44.4	175.1	-74.4	-179.8	6.5	0	0	112.1	P61 E62 A63 N68 L69	P61-Q65 WeakPolarHBondContact O-CG 3.42Å; P61-Q65 PolarHBondContact O-N 2.84Å; E62-Q65 PolarHBondContact O-N 3.48Å; A63-Q65 PolarHBondContact O-N 3.24Å; Q65-N68 PolarHBondContact O-N 3.23Å; Q65-L69 WeakPolarHBondContact O-CB 3.31Å; Q65-L69 PolarHBondContact O-N 2.76Å
66	L	93	Very high	92.1	Very high	74 Å²	74	86 Å²	86	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-67.9	-43	179.7	-176.9	55.4	0	0	0	111.8	L54 E62 A63 E64 N68 L69 L70	L54-L66 HydrophobicContact CD1-CB 4.45Å; L54-L66 HydrophobicContact CD1-CD2 3.58Å; L54-L66 HydrophobicContact CD1-CG 4.1Å; E62-L66 WeakPolarHBondContact O-CB 3.45Å; E62-L66 PolarHBondContact O-N 3Å; A63-L66 PolarHBondContact O-N 3.43Å; E64-L66 PolarHBondContact O-N 2.98Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-N68 PolarHBondContact O-N 3.49Å; L66-L69 WeakPolarHBondContact O-CB 3.46Å; L66-L69 PolarHBondContact O-N 3.24Å; L66-L69 VanDerWaalsContact O-N 3.14Å; L66-L70 HydrophobicContact CD1-CD1 4.19Å; L66-L70 HydrophobicContact CD1-CG 4.04Å; L66-L70 HydrophobicContact CG-CD1 4.08Å; L66-L70 HydrophobicContact CG-CG 4.36Å; L66-L70 WeakPolarHBondContact O-CB 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 3.07Å
67	V	94	Very high	92.3	Very high	19 Å²	19	85 Å²	85	12%	0.115	42%	0.423	C	S	.	.	H	α-helix	trans	-58	-45.7	174	168.3	0	0	0	0	110.5	Y51 L54 A63 E64 L69 L70 A71	Y51-V67 HydrophobicContact CD2-CB 4.48Å; Y51-V67 HydrophobicContact CD2-CG1 3.98Å; Y51-V67 HydrophobicContact CE2-CB 4.41Å; Y51-V67 HydrophobicContact CE2-CG1 3.5Å; Y51-V67 WeakPolarHBondContact CE2-O 3.49Å; L54-V67 HydrophobicContact CB-CG2 3.5Å; L54-V67 VanDerWaalsContact CB-CG2 3.5Å; A63-V67 WeakPolarHBondContact O-CB 3.39Å; A63-V67 WeakPolarHBondContact O-CG2 3.25Å; A63-V67 PolarHBondContact O-N 2.91Å; E64-V67 PolarHBondContact O-N 3.12Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 2.91Å; V67-L70 PolarHBondContact O-N 3.36Å; V67-A71 WeakPolarHBondContact O-CB 3.4Å; V67-A71 PolarHBondContact O-N 2.97Å
68	N	92.9	Very high	92.5	Very high	91 Å²	91	86.8 Å²	86.8	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-35.2	176.5	-79.7	-38.3	0	0	0	112.8	E64 Q65 L66 R72	E64-N68 WeakPolarHBondContact O-CB 3.44Å; E64-N68 PolarHBondContact O-N 3.34Å; E64-N68 PolarHBondContact O-ND2 3.05Å; E64-N68 VanDerWaalsContact O-ND2 3.12Å; Q65-N68 PolarHBondContact O-N 3.23Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-N68 PolarHBondContact O-N 3.49Å; N68-R72 WeakPolarHBondContact O-CG 3.41Å
69	L	94.4	Very high	93	Very high	75 Å²	75	81.7 Å²	81.7	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-69.4	-49.3	176.2	-173.1	68.3	0	0	0	111.4	Q65 L66 V67 A71 R72 I75	Q65-L69 WeakPolarHBondContact O-CB 3.31Å; Q65-L69 PolarHBondContact O-N 2.76Å; L66-L69 WeakPolarHBondContact O-CB 3.46Å; L66-L69 PolarHBondContact O-N 3.24Å; L66-L69 VanDerWaalsContact O-N 3.14Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 2.91Å; L69-A71 PolarHBondContact O-N 3.18Å; L69-R72 WeakPolarHBondContact O-CB 3.35Å; L69-R72 PolarHBondContact O-N 3.32Å; L69-R72 VanDerWaalsContact O-N 3.12Å; L69-I75 HydrophobicContact CD1-CD1 4.49Å; L69-I75 HydrophobicContact CD1-CG1 4.28Å; L69-I75 HydrophobicContact CG-CG1 4.33Å; L69-I75 WeakPolarHBondContact O-CG1 3.34Å
70	L	94.1	Very high	93	Very high	25 Å²	25	79 Å²	79	13%	0.131	41%	0.406	C	S	.	.	H	α-helix	trans	-64.3	-27.3	178.4	-68.4	178.5	0	0	0	112.3	A47 A50 Y51 L66 V67 R72 I75 K76	A47-L70 HydrophobicContact CB-CD2 4.06Å; A50-L70 HydrophobicContact CB-CD1 4.32Å; Y51-L70 HydrophobicContact CD2-CB 4.06Å; L66-L70 HydrophobicContact CD1-CD1 4.19Å; L66-L70 HydrophobicContact CD1-CG 4.04Å; L66-L70 HydrophobicContact CG-CD1 4.08Å; L66-L70 HydrophobicContact CG-CG 4.36Å; L66-L70 WeakPolarHBondContact O-CB 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 3.07Å; V67-L70 PolarHBondContact O-N 3.36Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.24Å; L70-I75 HydrophobicContact CD2-CG2 4.2Å; L70-K76 VanDerWaalsContact O-CE 3.29Å; L70-K76 WeakPolarHBondContact O-CE 3.41Å; L70-K76 WeakPolarHBondContact O-CG 3.34Å
71	A	92.4	Very high	92.9	Very high	33 Å²	33	78.9 Å²	78.9	27%	0.273	41%	0.411	S	S	.	.	H	α-helix	trans	-67.2	-25.3	174.8	0	0	0	0	0	113.5	Y51 V67 L69 K76	Y51-A71 HydrophobicContact CE2-CB 4.01Å; V67-A71 WeakPolarHBondContact O-CB 3.4Å; V67-A71 PolarHBondContact O-N 2.97Å; L69-A71 PolarHBondContact O-N 3.18Å; A71-K76 WeakPolarHBondContact O-CE 3.27Å; A71-K76 PolarHBondContact O-NZ 3.39Å; A71-K76 VanDerWaalsContact O-NZ 3.14Å
72	R	95.2	Very high	92.9	Very high	150 Å²	150	78.2 Å²	78.2	57%	0.566	40%	0.401	S	S	*	.	S	Bend	trans	-64.9	135	-173.2	-68.2	-179.7	178.5	-173.6	-2.6	111.6	N68 L69 L70 H74 I75 K76	N68-R72 WeakPolarHBondContact O-CG 3.41Å; L69-R72 WeakPolarHBondContact O-CB 3.35Å; L69-R72 PolarHBondContact O-N 3.32Å; L69-R72 VanDerWaalsContact O-N 3.12Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.24Å; R72-H74 PolarHBondContact O-N 3Å; R72-I75 HydrophobicContact CB-CG1 4.23Å; R72-I75 PolarHBondContact O-N 2.85Å; R72-I75 VanDerWaalsContact O-N 3.07Å; R72-K76 PolarHBondContact O-N 3.46Å; R72-K76 VanDerWaalsContact O-N 3.1Å
73	P	93.6	Very high	92.9	Very high	92 Å²	92	73 Å²	73	60%	0.597	38%	0.378	S	S	*	.	H	α-helix	trans	-60	-34	-177.8	23	-33	0	0	0	112.8	K76 S77	P73-K76 PolarHBondContact O-N 3.29Å; P73-S77 VanDerWaalsContact O-CB 3.32Å; P73-S77 WeakPolarHBondContact O-CB 3.45Å; P73-S77 PolarHBondContact O-N 2.8Å
74	H	93.5	Very high	92.7	Very high	137 Å²	137	73.9 Å²	73.9	63%	0.634	39%	0.387	S	S	*	.	H	α-helix	trans	-66.8	-36.1	177.7	-57.3	-58.5	0	0	0	113.1	R72 L78	R72-H74 PolarHBondContact O-N 3Å; H74-L78 VanDerWaalsContact O-CB 3.27Å; H74-L78 WeakPolarHBondContact O-CB 3.39Å; H74-L78 PolarHBondContact O-N 2.79Å
75	I	93.8	Very high	92.5	Very high	46 Å²	46	73.6 Å²	73.6	24%	0.236	39%	0.387	C	S	.	.	H	α-helix	trans	-72.1	-44.3	176.4	-62.2	-60.5	0	0	0	109.9	L69 L70 R72 S77 L78 L79	L69-I75 HydrophobicContact CD1-CD1 4.49Å; L69-I75 HydrophobicContact CD1-CG1 4.28Å; L69-I75 HydrophobicContact CG-CG1 4.33Å; L69-I75 WeakPolarHBondContact O-CG1 3.34Å; L70-I75 HydrophobicContact CD2-CG2 4.2Å; R72-I75 HydrophobicContact CB-CG1 4.23Å; R72-I75 PolarHBondContact O-N 2.85Å; R72-I75 VanDerWaalsContact O-N 3.07Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-S77 PolarHBondContact O-N 3.41Å; I75-L78 WeakPolarHBondContact O-CB 3.47Å; I75-L78 PolarHBondContact O-N 3.21Å; I75-L79 HydrophobicContact CG2-CD1 4.05Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 2.69Å
76	K	92	Very high	92.1	Very high	113 Å²	113	67.6 Å²	67.6	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-57.8	-44.7	174.2	-68.5	176.2	174.7	168.7	0	112.1	L70 A71 R72 P73 L79 L80	L70-K76 VanDerWaalsContact O-CE 3.29Å; L70-K76 WeakPolarHBondContact O-CE 3.41Å; L70-K76 WeakPolarHBondContact O-CG 3.34Å; A71-K76 WeakPolarHBondContact O-CE 3.27Å; A71-K76 PolarHBondContact O-NZ 3.39Å; A71-K76 VanDerWaalsContact O-NZ 3.14Å; R72-K76 PolarHBondContact O-N 3.46Å; R72-K76 VanDerWaalsContact O-N 3.1Å; P73-K76 PolarHBondContact O-N 3.29Å; K76-L79 PolarHBondContact O-N 2.83Å; K76-L80 WeakPolarHBondContact O-CB 3.2Å; K76-L80 PolarHBondContact O-N 2.78Å
77	S	91.5	Very high	91.8	Very high	64 Å²	64	68.4 Å²	68.4	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-38.3	176.8	-170	0	0	0	0	112	P73 I75 L80 C81	P73-S77 VanDerWaalsContact O-CB 3.32Å; P73-S77 WeakPolarHBondContact O-CB 3.45Å; P73-S77 PolarHBondContact O-N 2.8Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-S77 PolarHBondContact O-N 3.41Å; S77-L80 PolarHBondContact O-N 3.17Å; S77-C81 WeakPolarHBondContact O-CB 3.4Å; S77-C81 PolarHBondContact O-N 3.43Å; S77-C81 PolarHBondContact O-SG 3.42Å
78	L	93.5	Very high	91.2	Very high	88 Å²	88	74 Å²	74	46%	0.461	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-46.7	176.1	178.4	68.6	0	0	0	111.2	H74 I75 C81 H82	H74-L78 VanDerWaalsContact O-CB 3.27Å; H74-L78 WeakPolarHBondContact O-CB 3.39Å; H74-L78 PolarHBondContact O-N 2.79Å; I75-L78 WeakPolarHBondContact O-CB 3.47Å; I75-L78 PolarHBondContact O-N 3.21Å; L78-C81 PolarHBondContact O-N 2.91Å; L78-H82 WeakPolarHBondContact O-CB 3.44Å; L78-H82 PolarHBondContact O-N 2.75Å
79	L	93.1	Very high	90.5	Very high	34 Å²	34	73.1 Å²	73.1	18%	0.178	40%	0.395	C	S	.	.	H	α-helix	trans	-66.7	-39	178.8	-66.8	168.7	0	0	0	111.9	A43 K44 A47 I75 K76 H82 D83	A43-L79 HydrophobicContact CB-CD2 3.84Å; K44-L79 HydrophobicContact CB-CB 4.18Å; A47-L79 HydrophobicContact CB-CD1 3.38Å; I75-L79 HydrophobicContact CG2-CD1 4.05Å; I75-L79 WeakPolarHBondContact O-CG 3.47Å; I75-L79 PolarHBondContact O-N 2.69Å; K76-L79 PolarHBondContact O-N 2.83Å; L79-H82 PolarHBondContact O-N 3.33Å; L79-D83 PolarHBondContact O-N 3.18Å
80	L	91.8	Very high	89.7	Confident	94 Å²	94	77.4 Å²	77.4	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-45.2	173.5	-174	117.4	0	0	0	111.8	K44 K76 S77 G84	K44-L80 HydrophobicContact CD-CD1 4.14Å; K76-L80 WeakPolarHBondContact O-CB 3.2Å; K76-L80 PolarHBondContact O-N 2.78Å; S77-L80 PolarHBondContact O-N 3.17Å; L80-G84 PolarHBondContact O-N 2.83Å
81	C	90.6	Very high	88.5	Confident	65 Å²	65	77.9 Å²	77.9	44%	0.439	42%	0.418	S	S	.	.	H	α-helix	trans	-66.2	-40	175.6	-71.4	0	0	0	0	112	S77 L78 G84 I85	S77-C81 WeakPolarHBondContact O-CB 3.4Å; S77-C81 PolarHBondContact O-N 3.43Å; S77-C81 PolarHBondContact O-SG 3.42Å; L78-C81 PolarHBondContact O-N 2.91Å; C81-G84 PolarHBondContact O-N 3.14Å; C81-I85 WeakPolarHBondContact O-CB 3.23Å; C81-I85 VanDerWaalsContact O-CG1 3.27Å; C81-I85 WeakPolarHBondContact O-CG1 3.38Å; C81-I85 PolarHBondContact O-N 3.44Å
82	H	92.5	Very high	87.3	Confident	62 Å²	62	82.7 Å²	82.7	29%	0.287	45%	0.447	S	S	.	.	H	α-helix	trans	-56.9	-53.3	175.2	169.4	-87.6	0	0	0	110.6	S40 A43 L78 L79 G84 I85 A86	S40-H82 PolarHBondContact O-CE1 3.09Å; A43-H82 WeakPolarHBondContact CB-ND1 3.41Å; L78-H82 WeakPolarHBondContact O-CB 3.44Å; L78-H82 PolarHBondContact O-N 2.75Å; L79-H82 PolarHBondContact O-N 3.33Å; H82-G84 VanDerWaalsContact C-N 3.32Å; H82-G84 PolarHBondContact O-N 2.99Å; H82-I85 PolarHBondContact O-N 3.33Å; H82-A86 WeakPolarHBondContact O-CB 3.21Å; H82-A86 PolarHBondContact O-N 2.94Å
83	D	92	Very high	85.8	Confident	20 Å²	20	81.9 Å²	81.9	11%	0.107	46%	0.458	C	S	.	.	H	α-helix	trans	-64.6	-38	-179.3	-69.6	1.8	0	0	0	111.2	C42 A43 K44 L79 I85 A86 N87	C42-D83 VanDerWaalsContact C-OD2 3.32Å; C42-D83 WeakPolarHBondContact CA-OD2 3.45Å; A43-D83 WeakPolarHBondContact CB-OD1 3.06Å; A43-D83 PolarHBondContact N-OD1 3.07Å; A43-D83 PolarHBondContact N-OD2 2.88Å; K44-D83 WeakPolarHBondContact CB-OD2 3.14Å; K44-D83 PolarHBondContact N-OD2 3.22Å; L79-D83 PolarHBondContact O-N 3.18Å; D83-I85 PolarHBondContact O-N 2.97Å; D83-A86 PolarHBondContact O-N 3.06Å; D83-N87 VanDerWaalsContact O-CB 3.29Å; D83-N87 WeakPolarHBondContact O-CB 3.43Å; D83-N87 PolarHBondContact O-N 3.37Å; D83-N87 PolarHBondContact O-ND2 3.36Å
84	G	88.2	Confident	84.1	Confident	25 Å²	25	85 Å²	85	26%	0.258	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-44.1	173.5	0	0	0	0	0	112.9	L80 C81 H82 K88 A89	L80-G84 PolarHBondContact O-N 2.83Å; C81-G84 PolarHBondContact O-N 3.14Å; H82-G84 VanDerWaalsContact C-N 3.32Å; H82-G84 PolarHBondContact O-N 2.99Å; G84-K88 PolarHBondContact O-N 3.42Å; G84-A89 WeakPolarHBondContact O-CB 3.38Å; G84-A89 PolarHBondContact O-N 2.94Å
85	I	87	Confident	82.6	Confident	99 Å²	99	83.6 Å²	83.6	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-70.4	-44.6	177.8	-66.4	166.4	0	0	0	111	C81 H82 D83 N87 K88 Y90	C81-I85 WeakPolarHBondContact O-CB 3.23Å; C81-I85 VanDerWaalsContact O-CG1 3.27Å; C81-I85 WeakPolarHBondContact O-CG1 3.38Å; C81-I85 PolarHBondContact O-N 3.44Å; H82-I85 PolarHBondContact O-N 3.33Å; D83-I85 PolarHBondContact O-N 2.97Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 3.09Å; I85-K88 PolarHBondContact O-N 3Å; I85-Y90 HydrophobicContact CG2-CE1 4.44Å
86	A	85.9	Confident	80.7	Confident	14 Å²	14	90.9 Å²	90.9	12%	0.116	51%	0.505	C	S	.	.	H	α-helix	trans	-60.3	-41	179.8	0	0	0	0	0	111.8	P38 L41 H82 D83 K88	P38-A86 HydrophobicContact CB-CB 3.46Å; P38-A86 VanDerWaalsContact CB-CB 3.46Å; P38-A86 HydrophobicContact CG-CB 3.73Å; L41-A86 HydrophobicContact CD2-CB 3.96Å; H82-A86 WeakPolarHBondContact O-CB 3.21Å; H82-A86 PolarHBondContact O-N 2.94Å; D83-A86 PolarHBondContact O-N 3.06Å; A86-K88 VanDerWaalsContact C-N 3.25Å; A86-K88 PolarHBondContact O-N 3.29Å
87	N	84.7	Confident	79	Confident	90 Å²	90	92.3 Å²	92.3	48%	0.481	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9	175.4	-67.6	-71.5	0	0	0	113.7	L41 D83 I85 A89	L41-N87 PolarHBondContact O-ND2 3.24Å; D83-N87 VanDerWaalsContact O-CB 3.29Å; D83-N87 WeakPolarHBondContact O-CB 3.43Å; D83-N87 PolarHBondContact O-N 3.37Å; D83-N87 PolarHBondContact O-ND2 3.36Å; I85-N87 VanDerWaalsContact C-N 3.31Å; I85-N87 PolarHBondContact O-N 3.09Å; N87-A89 PolarHBondContact O-N 3.33Å; N87-A89 VanDerWaalsContact O-N 3.14Å
88	K	81.9	Confident	77.1	Confident	136 Å²	136	93.8 Å²	93.8	59%	0.591	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	26.8	179.9	-54.8	174.5	-175.9	165.6	0	114.6	G84 I85 A86 Y90	G84-K88 PolarHBondContact O-N 3.42Å; I85-K88 PolarHBondContact O-N 3Å; A86-K88 VanDerWaalsContact C-N 3.25Å; A86-K88 PolarHBondContact O-N 3.29Å; K88-Y90 HydrophobicContact CB-CE1 4.11Å; K88-Y90 HydrophobicContact CG-CE1 4.34Å; K88-Y90 PolarHBondContact O-N 3.45Å
89	A	78.5	Confident	75	Confident	73 Å²	73	95.7 Å²	95.7	60%	0.603	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	19.7	179.7	0	0	0	0	0	114	G84 N87	G84-A89 WeakPolarHBondContact O-CB 3.38Å; G84-A89 PolarHBondContact O-N 2.94Å; N87-A89 PolarHBondContact O-N 3.33Å; N87-A89 VanDerWaalsContact O-N 3.14Å
90	Y	78.3	Confident	73	Confident	165 Å²	165	102.8 Å²	102.8	65%	0.647	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-3.8	172.7	54.8	-98	0	0	0	112.7	I85 K88	I85-Y90 HydrophobicContact CG2-CE1 4.44Å; K88-Y90 HydrophobicContact CB-CE1 4.11Å; K88-Y90 HydrophobicContact CG-CE1 4.34Å; K88-Y90 PolarHBondContact O-N 3.45Å
91	G	68.6	Low	70.9	Confident	35 Å²	35	102.9 Å²	102.9	36%	0.361	58%	0.584	S	S	.	*	S	Bend	trans	-66.7	149.7	173.3	0	0	0	0	0	111.6	V93	G91-V93 PolarHBondContact O-N 2.88Å; G91-V93 VanDerWaalsContact O-N 3.14Å
92	P	66.4	Low	69.1	Low	135 Å²	135	106 Å²	106	88%	0.877	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-60.1	118.7	173.8	25.3	-32.4	0	0	0	109.6
93	V	64.9	Low	67.3	Low	132 Å²	132	112.8 Å²	112.8	80%	0.8	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-86.1	118.6	171.9	-178.5	0	0	0	0	107.5	G91	G91-V93 PolarHBondContact O-N 2.88Å; G91-V93 VanDerWaalsContact O-N 3.14Å
94	L	56.8	Low	65.5	Low	157 Å²	157	119 Å²	119	82%	0.822	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-62.5	134.4	172.4	-78.1	161.6	0	0	0	109.3
95	P	63.2	Low	64.1	Low	108 Å²	108	123.6 Å²	123.6	70%	0.701	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-53.4	142.5	170	-20.8	30.7	0	0	0	110.1	I97	P95-I97 PolarHBondContact O-N 3.48Å; P95-I97 VanDerWaalsContact O-N 3.12Å
96	Q	54.1	Low	63.2	Low	199 Å²	199	124.5 Å²	124.5	93%	0.93	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-60	119.2	173.7	-70.1	-173.4	-14.6	0	0	109	S98	Q96-S98 PolarHBondContact O-N 3.3Å
97	I	54.5	Low	62.7	Low	144 Å²	144	128.1 Å²	128.1	74%	0.738	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-67.3	122.7	176.9	-60.5	166.8	0	0	0	107.2	P95 S99 V101	P95-I97 PolarHBondContact O-N 3.48Å; P95-I97 VanDerWaalsContact O-N 3.12Å; I97-S99 PolarHBondContact O-N 3.49Å; I97-V101 HydrophobicContact CG2-CG2 4.15Å
98	S	52.2	Low	62.7	Low	95 Å²	95	126.7 Å²	126.7	66%	0.664	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-58.8	130.3	168.9	43.4	0	0	0	0	109.3	Q96 E100	Q96-S98 PolarHBondContact O-N 3.3Å; S98-E100 PolarHBondContact O-N 2.99Å
99	S	50.3	Low	63.1	Low	127 Å²	127	123.3 Å²	123.3	89%	0.888	69%	0.689	S	S	*	*	S	Bend	trans	-73.5	42.9	-173.2	55	0	0	0	0	114.8	I97	I97-S99 PolarHBondContact O-N 3.49Å
100	E	50	Low	63.6	Low	184 Å²	184	123.9 Å²	123.9	86%	0.86	68%	0.684	S	S	*	*			trans	-125.4	73.2	171.4	-66.7	-175.4	-174.4	0	0	108.1	S98	S98-E100 PolarHBondContact O-N 2.99Å
101	V	49.2	Very low	64.2	Low	95 Å²	95	116.5 Å²	116.5	58%	0.576	66%	0.656	S	S	*	*			trans	-134.2	123.1	167.8	-160.8	0	0	0	0	106.7	I97 E103	I97-V101 HydrophobicContact CG2-CG2 4.15Å; V101-E103 PolarHBondContact O-N 3.12Å
102	D	51.1	Low	65.2	Low	130 Å²	130	120 Å²	120	70%	0.695	67%	0.667	S	S	*	*			trans	-52.1	128.6	-180	-64	-51.8	0	0	0	110.1	D104 D105	D102-D104 PolarHBondContact O-N 2.94Å; D102-D105 PolarHBondContact O-N 3.44Å
103	E	54.8	Low	66.1	Low	206 Å²	206	113.6 Å²	113.6	96%	0.963	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-4.7	-176.6	-70.4	-165.4	158.9	0	0	114	V101	V101-E103 PolarHBondContact O-N 3.12Å
104	D	54.7	Low	67	Low	151 Å²	151	111.7 Å²	111.7	81%	0.807	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-7.7	-178	-65.3	-35.7	0	0	0	114	D102 I106	D102-D104 PolarHBondContact O-N 2.94Å; D104-I106 PolarHBondContact O-N 3.49Å
105	D	59	Low	68.2	Low	121 Å²	121	105.3 Å²	105.3	65%	0.647	58%	0.575	S	S	*	*			trans	-88.4	99.4	178.6	-86	-14	0	0	0	111.5	D102 S107	D102-D105 PolarHBondContact O-N 3.44Å; D105-S107 PolarHBondContact O-N 2.94Å
106	I	68.7	Low	68.6	Low	117 Å²	117	105.2 Å²	105.2	60%	0.6	57%	0.569	S	S	*	*			trans	-57.3	109.1	170.9	-59	170.1	0	0	0	108.4	D104 V108 I188	D104-I106 PolarHBondContact O-N 3.49Å; I106-V108 PolarHBondContact O-N 3.41Å; I106-V108 VanDerWaalsContact O-N 3.13Å; I106-I188 HydrophobicContact CG2-CD1 4.16Å; I106-I188 HydrophobicContact CG2-CG1 3.96Å; I106-I188 HydrophobicContact CG2-CG2 3.89Å
107	S	74.2	Confident	69.4	Low	90 Å²	90	106.9 Å²	106.9	63%	0.629	57%	0.568	S	S	*	*			trans	-67	114.7	178.6	66.5	0	0	0	0	110	D105 P189	D105-S107 PolarHBondContact O-N 2.94Å; S107-P189 WeakPolarHBondContact O-CD 3.21Å
108	V	85.9	Confident	70.5	Confident	61 Å²	61	102.6 Å²	102.6	37%	0.37	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-97.4	134.6	178.4	177.2	0	0	0	0	110.5	I106 K186 L187	I106-V108 PolarHBondContact O-N 3.41Å; I106-V108 VanDerWaalsContact O-N 3.13Å; V108-K186 HydrophobicContact CG1-CB 4.46Å; V108-K186 HydrophobicContact CG1-CD 3.93Å; V108-K186 HydrophobicContact CG1-CG 3.16Å; V108-L187 CarbonylContact C-O 3.57Å; V108-L187 WeakPolarHBondContact CA-O 3.39Å; V108-L187 WeakPolarHBondContact CG1-O 3.05Å
109	K	89.1	Confident	72	Confident	65 Å²	65	101.4 Å²	101.4	28%	0.283	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.8	175.3	-174.6	-175.5	-168.6	-179.8	0	109.9	V111 A149 D151 L187 P189	K109-V111 HydrophobicContact CD-CG2 4.17Å; K109-V111 HydrophobicContact CG-CG2 3.96Å; K109-A149 WeakPolarHBondContact CE-O 3.39Å; K109-A149 VanDerWaalsContact NZ-C 3.33Å; K109-A149 PolarHBondContact NZ-O 2.92Å; K109-D151 IonicContact NZ-OD2 2.67Å; K109-L187 HydrophobicContact CB-CB 4.38Å; K109-L187 PolarHBondContact N-O 2.83Å; K109-L187 PolarHBondContact O-N 3.23Å; K109-P189 HydrophobicContact CB-CG 3.9Å; K109-P189 HydrophobicContact CD-CG 4.42Å
110	V	90	Very high	73.7	Confident	85 Å²	85	96.2 Å²	96.2	52%	0.515	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.1	174.7	-177.9	0	0	0	0	109.3	K184 L185 K186	V110-K184 HydrophobicContact CG1-CD 4.06Å; V110-K184 HydrophobicContact CG1-CG 3.88Å; V110-L185 CarbonylContact C-O 3.54Å; V110-L185 WeakPolarHBondContact CA-O 3.17Å; V110-K186 HydrophobicContact CG2-CG 4.44Å
111	V	90.3	Very high	75.5	Confident	9 Å²	9	87.5 Å²	87.5	6%	0.055	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	-177.2	-176.7	0	0	0	0	109.2	K109 L113 A149 I150 K184 L185 L187	K109-V111 HydrophobicContact CD-CG2 4.17Å; K109-V111 HydrophobicContact CG-CG2 3.96Å; V111-L113 HydrophobicContact CG1-CD2 3.87Å; V111-L113 HydrophobicContact CG1-CG 4.03Å; V111-A149 HydrophobicContact CB-CB 4.48Å; V111-A149 HydrophobicContact CG1-CB 3.57Å; V111-A149 HydrophobicContact CG2-CB 4.04Å; V111-A149 WeakPolarHBondContact CG2-O 3.49Å; V111-I150 HydrophobicContact CG1-CG1 4.31Å; V111-K184 CarbonylContact O-C 3.56Å; V111-K184 WeakPolarHBondContact O-CA 3.39Å; V111-L185 PolarHBondContact N-O 3Å; V111-L185 PolarHBondContact O-N 3.36Å; V111-L187 HydrophobicContact CB-CD1 4.44Å; V111-L187 HydrophobicContact CG2-CD1 3.76Å
112	N	89.8	Confident	77.5	Confident	108 Å²	108	84.9 Å²	84.9	58%	0.578	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	170.9	-61.2	-37.1	0	0	0	108.6	V183 K184	N112-V183 WeakPolarHBondContact CA-O 3.48Å; N112-K184 WeakPolarHBondContact OD1-CB 3.4Å; N112-K184 WeakPolarHBondContact OD1-CE 3.34Å; N112-K184 WeakPolarHBondContact OD1-CG 3.44Å
113	L	86.1	Confident	79.3	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.005	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.8	174.3	-62.1	-178	0	0	0	109.8	V111 L120 A144 T147 I150 V183 L185	V111-L113 HydrophobicContact CG1-CD2 3.87Å; V111-L113 HydrophobicContact CG1-CG 4.03Å; L113-L120 HydrophobicContact CB-CD2 3.95Å; L113-L120 HydrophobicContact CD1-CB 4.43Å; L113-L120 HydrophobicContact CD1-CD1 4.4Å; L113-L120 HydrophobicContact CD1-CD2 3.91Å; L113-L120 HydrophobicContact CD1-CG 4.48Å; L113-A144 HydrophobicContact CD1-CB 4.32Å; L113-T147 HydrophobicContact CD2-CG2 3.53Å; L113-T147 VanDerWaalsContact CD2-OG1 3.29Å; L113-T147 WeakPolarHBondContact CD2-OG1 3.2Å; L113-I150 HydrophobicContact CD1-CD1 3.6Å; L113-I150 HydrophobicContact CG-CD1 4.45Å; L113-V183 PolarHBondContact N-O 3.22Å; L113-V183 PolarHBondContact O-N 3.4Å; L113-L185 HydrophobicContact CD1-CD1 4.24Å
114	I	84.1	Confident	80.9	Confident	93 Å²	93	72.5 Å²	72.5	48%	0.477	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.2	174.2	-56.1	176.6	0	0	0	108.2	N116	I114-N116 WeakPolarHBondContact CG2-ND2 3.45Å; I114-N116 VanDerWaalsContact CG2-OD1 3.23Å; I114-N116 WeakPolarHBondContact CG2-OD1 3.44Å
115	K	81	Confident	82.5	Confident	22 Å²	22	70.7 Å²	70.7	10%	0.096	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	86.2	-179.8	-163.8	-176.7	161.4	-152.5	0	110.3	Y117 E118 L120 L176 T177 I179 G181 V183	K115-Y117 PolarHBondContact O-N 2.81Å; K115-E118 WeakPolarHBondContact CE-O 3.5Å; K115-E118 WeakPolarHBondContact CG-O 3.43Å; K115-L120 HydrophobicContact CB-CD2 3.84Å; K115-L120 HydrophobicContact CD-CD2 4.11Å; K115-L120 HydrophobicContact CD-CG 4.17Å; K115-L120 HydrophobicContact CG-CD2 3.95Å; K115-L120 HydrophobicContact CG-CG 4.42Å; K115-L176 PolarHBondContact NZ-O 3.15Å; K115-T177 PolarHBondContact NZ-O 3.02Å; K115-I179 VanDerWaalsContact CD-O 3.32Å; K115-I179 WeakPolarHBondContact CD-O 3.31Å; K115-I179 PolarHBondContact NZ-O 3.11Å; K115-G181 WeakPolarHBondContact CB-O 3.37Å; K115-G181 PolarHBondContact N-O 3.13Å; K115-G181 PolarHBondContact O-N 2.83Å; K115-V183 HydrophobicContact CB-CG2 3.78Å; K115-V183 HydrophobicContact CD-CG2 4.37Å
116	N	71	Confident	83.9	Confident	106 Å²	106	67.8 Å²	67.8	57%	0.567	35%	0.35	S	S	*	.	S	Bend	trans	-92.2	76.6	-177.8	-72.1	-23.5	0	0	0	111.7	I114 E118	I114-N116 WeakPolarHBondContact CG2-ND2 3.45Å; I114-N116 VanDerWaalsContact CG2-OD1 3.23Å; I114-N116 WeakPolarHBondContact CG2-OD1 3.44Å; N116-E118 PolarHBondContact O-N 3.33Å
117	Y	72.2	Confident	84.7	Confident	235 Å²	235	64.8 Å²	64.8	92%	0.922	34%	0.336	S	S	*	.	S	Bend	trans	58.2	1.6	-177.4	-53.3	-81.6	0	0	0	115.9	K115	K115-Y117 PolarHBondContact O-N 2.81Å
118	E	77.4	Confident	85	Confident	54 Å²	54	69.9 Å²	69.9	25%	0.252	35%	0.35	S	S	.	.	S	Bend	trans	-102	154.4	171.2	66.4	176.7	168.5	0	0	110.9	K115 N116 R146	K115-E118 WeakPolarHBondContact CE-O 3.5Å; K115-E118 WeakPolarHBondContact CG-O 3.43Å; N116-E118 PolarHBondContact O-N 3.33Å; E118-R146 IonicContact OE1-CZ 2.92Å; E118-R146 IonicContact OE1-NH1 3.52Å; E118-R146 IonicContact OE1-NH2 2.99Å; E118-R146 PolarHBondContact OE1-NH2 3.13Å; E118-R146 IonicContact OE2-NH1 2.67Å; E118-R146 PolarHBondContact OE2-NH1 3.32Å; E118-R146 IonicContact OE2-NH2 3.48Å
119	P	83.4	Confident	84.9	Confident	69 Å²	69	78.3 Å²	78.3	45%	0.448	38%	0.375	S	S	.	.			trans	-64.6	149.6	165.8	-9.2	19.3	0	0	0	110.5	G121 R272	P119-G121 PolarHBondContact O-N 2.83Å; P119-R272 PolarHBondContact O-NH1 2.98Å
120	L	86.6	Confident	84.6	Confident	19 Å²	19	79.1 Å²	79.1	10%	0.099	38%	0.382	C	S	.	.			trans	-55.3	-20.5	178.1	-64	175.6	0	0	0	114.2	L113 K115 A143 A144 L176 V183	L113-L120 HydrophobicContact CB-CD2 3.95Å; L113-L120 HydrophobicContact CD1-CB 4.43Å; L113-L120 HydrophobicContact CD1-CD1 4.4Å; L113-L120 HydrophobicContact CD1-CD2 3.91Å; L113-L120 HydrophobicContact CD1-CG 4.48Å; K115-L120 HydrophobicContact CB-CD2 3.84Å; K115-L120 HydrophobicContact CD-CD2 4.11Å; K115-L120 HydrophobicContact CD-CG 4.17Å; K115-L120 HydrophobicContact CG-CD2 3.95Å; K115-L120 HydrophobicContact CG-CG 4.42Å; L120-A143 PolarHBondContact O-N 3.38Å; L120-A144 WeakPolarHBondContact O-CB 3.36Å; L120-A144 PolarHBondContact O-N 2.91Å; L120-L176 HydrophobicContact CD1-CD2 4.02Å; L120-V183 HydrophobicContact CD1-CG1 4.2Å; L120-V183 HydrophobicContact CD2-CB 4.34Å; L120-V183 HydrophobicContact CD2-CG2 4.07Å
121	G	87.8	Confident	84.3	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.01	37%	0.37	C	S	.	.	S	Bend	trans	83.3	38.5	-178.8	0	0	0	0	0	112.2	P119 M139	P119-G121 PolarHBondContact O-N 2.83Å; G121-M139 WeakPolarHBondContact O-CB 3.39Å; G121-M139 PolarHBondContact O-N 3.15Å
122	V	90.1	Very high	84.1	Confident	39 Å²	39	75.9 Å²	75.9	24%	0.236	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143.6	176.7	174.8	0	0	0	0	109	I124 V135 R137 A144 I150	V122-I124 HydrophobicContact CG1-CG2 4.36Å; V122-V135 HydrophobicContact CG1-CB 4.36Å; V122-V135 HydrophobicContact CG1-CG1 3.73Å; V122-V135 HydrophobicContact CG1-CG2 4.12Å; V122-R137 CarbonylContact C-O 3.58Å; V122-R137 WeakPolarHBondContact CA-O 3.34Å; V122-A144 HydrophobicContact CG2-CB 3.33Å; V122-I150 HydrophobicContact CG2-CG2 4.45Å
123	T	89	Confident	84.2	Confident	30 Å²	30	70.9 Å²	70.9	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.4	163.6	64.8	0	0	0	0	108.9	A136 R137	T123-A136 PolarHBondContact O-N 3.36Å; T123-R137 PolarHBondContact N-O 3.31Å; T123-R137 PolarHBondContact O-N 2.88Å; T123-R137 WeakPolarHBondContact OG1-CB 3.08Å; T123-R137 PolarHBondContact OG1-N 3.39Å
124	I	89.7	Confident	84.4	Confident	46 Å²	46	72.3 Å²	72.3	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.9	-179.1	58.9	173.1	0	0	0	110.1	V122 V133 L134 I156 V172 I173 L176	V122-I124 HydrophobicContact CG1-CG2 4.36Å; I124-V133 HydrophobicContact CB-CG1 4.03Å; I124-V133 HydrophobicContact CD1-CG1 3.97Å; I124-V133 HydrophobicContact CG2-CG1 4.13Å; I124-L134 CarbonylContact C-O 3.57Å; I124-L134 VanDerWaalsContact CA-O 3.25Å; I124-L134 WeakPolarHBondContact CA-O 3.41Å; I124-I156 HydrophobicContact CG2-CD1 3.93Å; I124-V172 HydrophobicContact CD1-CG1 4.07Å; I124-I173 HydrophobicContact CD1-CG1 4.08Å; I124-L176 HydrophobicContact CD1-CD1 4.33Å
125	K	88.1	Confident	84.8	Confident	114 Å²	114	67.9 Å²	67.9	50%	0.496	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147	167.4	66	-177.3	-178.4	179.6	0	108.3	L134 A136	K125-L134 HydrophobicContact CG-CB 3.83Å; K125-L134 PolarHBondContact N-O 2.9Å; K125-L134 PolarHBondContact O-N 2.73Å; K125-A136 HydrophobicContact CB-CB 3.9Å; K125-A136 HydrophobicContact CD-CB 4.14Å; K125-A136 HydrophobicContact CG-CB 3.94Å
126	I	87.3	Confident	85.2	Confident	59 Å²	59	68.4 Å²	68.4	30%	0.303	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.4	178.4	-64.6	170.6	0	0	0	107.9	E128 A132 V133 P169	I126-E128 PolarHBondContact O-N 3.21Å; I126-A132 WeakPolarHBondContact CA-O 3.43Å; I126-V133 HydrophobicContact CG1-CG2 4.37Å; I126-P169 VanDerWaalsContact CD1-CA 3.43Å; I126-P169 HydrophobicContact CD1-CB 3.24Å; I126-P169 HydrophobicContact CD1-CG 3.36Å
127	N	85.4	Confident	86.1	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.294	31%	0.314	S	S	.	.			trans	-76.5	112.9	176.9	-178.6	-13.2	0	0	0	109	R129 N130 G131 A132 L134	N127-R129 PolarHBondContact O-N 2.84Å; N127-R129 VanDerWaalsContact O-N 3.13Å; N127-R129 PolarHBondContact OD1-N 2.6Å; N127-N130 WeakPolarHBondContact CB-OD1 3.29Å; N127-N130 PolarHBondContact ND2-OD1 2.94Å; N127-N130 PolarHBondContact O-N 2.53Å; N127-G131 VanDerWaalsContact O-CA 3.27Å; N127-G131 WeakPolarHBondContact O-CA 3.34Å; N127-G131 PolarHBondContact O-N 3Å; N127-A132 HydrophobicContact CB-CB 4.32Å; N127-A132 PolarHBondContact N-O 2.95Å; N127-L134 HydrophobicContact CB-CD1 4.19Å
128	E	81.3	Confident	87	Confident	196 Å²	196	54.9 Å²	54.9	92%	0.916	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.3	-177	-62	179.5	172.1	0	0	113.6	I126	I126-E128 PolarHBondContact O-N 3.21Å
129	R	82.7	Confident	87.6	Confident	239 Å²	239	52.4 Å²	52.4	90%	0.902	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-37.4	-175.5	-64.7	-175.9	179.2	-177.3	0.2	113.6	N127	N127-R129 PolarHBondContact O-N 2.84Å; N127-R129 VanDerWaalsContact O-N 3.13Å; N127-R129 PolarHBondContact OD1-N 2.6Å
130	N	83.6	Confident	87.9	Confident	81 Å²	81	51.1 Å²	51.1	43%	0.433	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-3.6	-174.5	67.3	-8	0	0	0	113.5	N127 A132 H165	N127-N130 WeakPolarHBondContact CB-OD1 3.29Å; N127-N130 PolarHBondContact ND2-OD1 2.94Å; N127-N130 PolarHBondContact O-N 2.53Å; N130-A132 PolarHBondContact O-N 2.71Å; N130-A132 VanDerWaalsContact OD1-CB 3.24Å; N130-A132 WeakPolarHBondContact OD1-CB 3.29Å; N130-A132 PolarHBondContact OD1-N 3.33Å; N130-A132 VanDerWaalsContact OD1-N 3.07Å; N130-H165 PolarHBondContact O-NE2 3.45Å
131	G	82.8	Confident	87.7	Confident	26 Å²	26	51.1 Å²	51.1	27%	0.268	26%	0.257	S	S	.	.			trans	72.7	11.9	-178	0	0	0	0	0	114.5	N127	N127-G131 VanDerWaalsContact O-CA 3.27Å; N127-G131 WeakPolarHBondContact O-CA 3.34Å; N127-G131 PolarHBondContact O-N 3Å
132	A	87.7	Confident	87.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.008	26%	0.256	C	S	.	.			trans	-68.6	137.3	-179.9	0	0	0	0	0	111.7	I126 N127 N130 L134 E155	I126-A132 WeakPolarHBondContact CA-O 3.43Å; N127-A132 HydrophobicContact CB-CB 4.32Å; N127-A132 PolarHBondContact N-O 2.95Å; N130-A132 PolarHBondContact O-N 2.71Å; N130-A132 VanDerWaalsContact OD1-CB 3.24Å; N130-A132 WeakPolarHBondContact OD1-CB 3.29Å; N130-A132 PolarHBondContact OD1-N 3.33Å; N130-A132 VanDerWaalsContact OD1-N 3.07Å; A132-L134 HydrophobicContact CB-CD2 4.41Å; A132-E155 HydrophobicContact CB-CG 4.08Å
133	V	90.3	Very high	87.4	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.1	176.4	-176.3	0	0	0	0	108.5	I124 I126 E155 I156 V164 V172	I124-V133 HydrophobicContact CB-CG1 4.03Å; I124-V133 HydrophobicContact CD1-CG1 3.97Å; I124-V133 HydrophobicContact CG2-CG1 4.13Å; I126-V133 HydrophobicContact CG1-CG2 4.37Å; V133-E155 WeakPolarHBondContact O-CA 3.47Å; V133-I156 HydrophobicContact CB-CB 4.4Å; V133-I156 HydrophobicContact CG1-CB 4.39Å; V133-I156 HydrophobicContact CG1-CD1 4.23Å; V133-I156 PolarHBondContact O-N 2.86Å; V133-V164 HydrophobicContact CB-CG2 4.2Å; V133-V164 HydrophobicContact CG2-CB 4.28Å; V133-V164 HydrophobicContact CG2-CG2 3.92Å; V133-V172 HydrophobicContact CG1-CG1 4.25Å; V133-V172 HydrophobicContact CG2-CG1 4.36Å; V133-V172 HydrophobicContact CG2-CG2 4.28Å
134	L	91.1	Very high	87.5	Confident	30 Å²	30	48 Å²	48	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.6	-176	-57.4	174.6	0	0	0	110.9	I124 K125 N127 A132 A136 D154 E155	I124-L134 CarbonylContact C-O 3.57Å; I124-L134 VanDerWaalsContact CA-O 3.25Å; I124-L134 WeakPolarHBondContact CA-O 3.41Å; K125-L134 HydrophobicContact CG-CB 3.83Å; K125-L134 PolarHBondContact N-O 2.9Å; K125-L134 PolarHBondContact O-N 2.73Å; N127-L134 HydrophobicContact CB-CD1 4.19Å; A132-L134 HydrophobicContact CB-CD2 4.41Å; L134-A136 PolarHBondContact O-N 3.13Å; L134-D154 CarbonylContact C-O 3.44Å; L134-D154 WeakPolarHBondContact CA-O 3.5Å; L134-E155 HydrophobicContact CD2-CB 3.74Å; L134-E155 HydrophobicContact CD2-CG 4Å
135	V	91.7	Very high	87.4	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	113.9	167.9	175.3	0	0	0	0	108.7	V122 V138 I150 D151 G153 D154 I156	V122-V135 HydrophobicContact CG1-CB 4.36Å; V122-V135 HydrophobicContact CG1-CG1 3.73Å; V122-V135 HydrophobicContact CG1-CG2 4.12Å; V135-V138 HydrophobicContact CG1-CG2 4.07Å; V135-I150 HydrophobicContact CB-CG2 4.44Å; V135-I150 HydrophobicContact CG1-CG2 4.09Å; V135-I150 HydrophobicContact CG2-CG2 3.72Å; V135-D151 WeakPolarHBondContact CB-O 3.27Å; V135-D151 VanDerWaalsContact CG1-O 3.29Å; V135-D151 WeakPolarHBondContact CG1-O 3.47Å; V135-G153 PolarHBondContact O-N 2.88Å; V135-D154 HydrophobicContact CB-CB 4.36Å; V135-D154 HydrophobicContact CG2-CB 3.99Å; V135-D154 PolarHBondContact N-O 3.47Å; V135-I156 HydrophobicContact CG2-CD1 4.38Å; V135-I156 HydrophobicContact CG2-CG1 4.31Å
136	A	89.9	Confident	87.3	Confident	32 Å²	32	49.3 Å²	49.3	26%	0.264	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-35.2	179.5	0	0	0	0	0	112.4	T123 K125 L134 V152	T123-A136 PolarHBondContact O-N 3.36Å; K125-A136 HydrophobicContact CB-CB 3.9Å; K125-A136 HydrophobicContact CD-CB 4.14Å; K125-A136 HydrophobicContact CG-CB 3.94Å; L134-A136 PolarHBondContact O-N 3.13Å; A136-V152 WeakPolarHBondContact O-CG1 3.39Å
137	R	90.7	Very high	87.2	Confident	38 Å²	38	49.6 Å²	49.6	14%	0.143	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	145.7	178.3	-168.6	-179.4	-58.3	-95.4	-21.2	111	V122 T123 M139 D240 W243	V122-R137 CarbonylContact C-O 3.58Å; V122-R137 WeakPolarHBondContact CA-O 3.34Å; T123-R137 PolarHBondContact N-O 3.31Å; T123-R137 PolarHBondContact O-N 2.88Å; T123-R137 WeakPolarHBondContact OG1-CB 3.08Å; T123-R137 PolarHBondContact OG1-N 3.39Å; R137-M139 HydrophobicContact CG-SD 4.43Å; R137-D240 IonicContact CZ-OD2 2.77Å; R137-D240 VanDerWaalsContact NH1-CB 3.32Å; R137-D240 IonicContact NH1-OD2 3.75Å; R137-D240 PolarHBondContact NH1-OD2 2.89Å; R137-D240 IonicContact NH2-OD2 3.56Å; R137-D240 PolarHBondContact NH2-OD2 3.13Å; R137-W243 PolarHBondContact NH1-O 2.93Å; R137-W243 VanDerWaalsContact NH1-O 3.11Å
138	V	90.8	Very high	87.3	Confident	20 Å²	20	52.1 Å²	52.1	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.3	166.5	-177.3	0	0	0	0	108.9	V135 A144 D145 I150 V152 Q245	V135-V138 HydrophobicContact CG1-CG2 4.07Å; V138-A144 HydrophobicContact CG1-CB 4.18Å; V138-D145 HydrophobicContact CG1-CB 3.85Å; V138-I150 HydrophobicContact CG2-CG2 4.43Å; V138-V152 HydrophobicContact CG2-CG2 4.28Å; V138-Q245 PolarHBondContact O-NE2 2.92Å
139	M	90	Very high	87.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-85.9	124	-178.1	-61	-60.5	-62.4	0	0	110.4	G121 R137 G141 G142 D145 A223 A273 L275	G121-M139 WeakPolarHBondContact O-CB 3.39Å; G121-M139 PolarHBondContact O-N 3.15Å; R137-M139 HydrophobicContact CG-SD 4.43Å; M139-G141 PolarHBondContact O-N 3.19Å; M139-G142 PolarHBondContact O-N 2.84Å; M139-G142 VanDerWaalsContact O-N 3.08Å; M139-D145 WeakPolarHBondContact O-CB 3.44Å; M139-A223 HydrophobicContact CE-CB 4.32Å; M139-A273 WeakPolarHBondContact CE-O 3.22Å; M139-L275 HydrophobicContact CE-CD2 4.36Å; M139-L275 HydrophobicContact CE-CG 4.17Å; M139-L275 HydrophobicContact SD-CD2 4.44Å
140	H	88.4	Confident	88	Confident	43 Å²	43	32.7 Å²	32.7	20%	0.199	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	135.6	-177.2	-163.9	69.4	0	0	0	111.5	G142 D145 V236 A273	H140-G142 PolarHBondContact O-N 3.01Å; H140-D145 WeakPolarHBondContact CA-OD2 3.28Å; H140-D145 IonicContact CE1-OD2 3.86Å; H140-D145 IonicContact CG-OD2 3.07Å; H140-D145 IonicContact ND1-OD1 3.72Å; H140-D145 IonicContact ND1-OD2 3.37Å; H140-D145 PolarHBondContact ND1-OD2 3.39Å; H140-D145 VanDerWaalsContact ND1-OD2 3.09Å; H140-V236 HydrophobicContact CB-CB 4.46Å; H140-V236 HydrophobicContact CB-CG2 3.76Å; H140-A273 HydrophobicContact CB-CB 3.85Å; H140-A273 VanDerWaalsContact O-CB 3.31Å; H140-A273 WeakPolarHBondContact O-CB 3.4Å; H140-A273 PolarHBondContact O-N 3.38Å
141	G	84	Confident	88.2	Confident	19 Å²	19	30.5 Å²	30.5	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-4.5	-175.9	0	0	0	0	0	114.8	M139 D145 R146	M139-G141 PolarHBondContact O-N 3.19Å; G141-D145 PolarHBondContact N-OD2 3.39Å; G141-R146 PolarHBondContact O-NH1 3Å
142	G	85.8	Confident	88.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-76.8	171.7	173.9	0	0	0	0	0	113.5	M139 H140 A144 D145 R146	M139-G142 PolarHBondContact O-N 2.84Å; M139-G142 VanDerWaalsContact O-N 3.08Å; H140-G142 PolarHBondContact O-N 3.01Å; G142-A144 VanDerWaalsContact C-N 3.34Å; G142-A144 PolarHBondContact O-N 3.42Å; G142-D145 PolarHBondContact O-N 3.2Å; G142-R146 WeakPolarHBondContact O-CG 3.41Å; G142-R146 PolarHBondContact O-N 2.93Å
143	A	85.9	Confident	88.7	Confident	4 Å²	4	34 Å²	34	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-43.5	-178.7	0	0	0	0	0	113.2	L120 R146 T147	L120-A143 PolarHBondContact O-N 3.38Å; A143-R146 PolarHBondContact O-N 2.61Å; A143-T147 WeakPolarHBondContact O-CG2 3.12Å; A143-T147 PolarHBondContact O-N 3.38Å; A143-T147 PolarHBondContact O-OG1 2.98Å
144	A	89.2	Confident	88.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-45.8	178	0	0	0	0	0	112.6	L113 L120 V122 V138 G142 R146 T147 D148 I150	L113-A144 HydrophobicContact CD1-CB 4.32Å; L120-A144 WeakPolarHBondContact O-CB 3.36Å; L120-A144 PolarHBondContact O-N 2.91Å; V122-A144 HydrophobicContact CG2-CB 3.33Å; V138-A144 HydrophobicContact CG1-CB 4.18Å; G142-A144 VanDerWaalsContact C-N 3.34Å; G142-A144 PolarHBondContact O-N 3.42Å; A144-R146 PolarHBondContact O-N 2.64Å; A144-T147 PolarHBondContact O-N 3.11Å; A144-T147 PolarHBondContact O-OG1 2.72Å; A144-D148 PolarHBondContact O-N 3.3Å; A144-I150 HydrophobicContact CB-CB 4.38Å; A144-I150 HydrophobicContact CB-CD1 4.15Å
145	D	88.8	Confident	88.9	Confident	48 Å²	48	34.5 Å²	34.5	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-60.7	-44.9	177.3	-177.7	56.7	0	0	0	111.7	V138 M139 H140 G141 G142 T147 D148	V138-D145 HydrophobicContact CG1-CB 3.85Å; M139-D145 WeakPolarHBondContact O-CB 3.44Å; H140-D145 WeakPolarHBondContact CA-OD2 3.28Å; H140-D145 IonicContact CE1-OD2 3.86Å; H140-D145 IonicContact CG-OD2 3.07Å; H140-D145 IonicContact ND1-OD1 3.72Å; H140-D145 IonicContact ND1-OD2 3.37Å; H140-D145 PolarHBondContact ND1-OD2 3.39Å; H140-D145 VanDerWaalsContact ND1-OD2 3.09Å; G141-D145 PolarHBondContact N-OD2 3.39Å; G142-D145 PolarHBondContact O-N 3.2Å; D145-T147 VanDerWaalsContact C-N 3.26Å; D145-T147 PolarHBondContact O-N 3.12Å; D145-D148 PolarHBondContact O-N 3.39Å; D145-D148 VanDerWaalsContact O-N 3.09Å
146	R	85.2	Confident	88.9	Confident	139 Å²	139	34.7 Å²	34.7	53%	0.525	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-29.9	-179.5	-67.3	-177.8	-47.6	-112.5	6.2	113.2	E118 G141 G142 A143 A144	E118-R146 IonicContact OE1-CZ 2.92Å; E118-R146 IonicContact OE1-NH1 3.52Å; E118-R146 IonicContact OE1-NH2 2.99Å; E118-R146 PolarHBondContact OE1-NH2 3.13Å; E118-R146 IonicContact OE2-NH1 2.67Å; E118-R146 PolarHBondContact OE2-NH1 3.32Å; E118-R146 IonicContact OE2-NH2 3.48Å; G141-R146 PolarHBondContact O-NH1 3Å; G142-R146 WeakPolarHBondContact O-CG 3.41Å; G142-R146 PolarHBondContact O-N 2.93Å; A143-R146 PolarHBondContact O-N 2.61Å; A144-R146 PolarHBondContact O-N 2.64Å
147	T	86.2	Confident	89	Confident	66 Å²	66	35.5 Å²	35.5	41%	0.405	19%	0.191	S	C	.	.	H	α-helix	trans	-81	-19.3	175.4	59.7	0	0	0	0	113.8	L113 A143 A144 D145 A149	L113-T147 HydrophobicContact CD2-CG2 3.53Å; L113-T147 VanDerWaalsContact CD2-OG1 3.29Å; L113-T147 WeakPolarHBondContact CD2-OG1 3.2Å; A143-T147 WeakPolarHBondContact O-CG2 3.12Å; A143-T147 PolarHBondContact O-N 3.38Å; A143-T147 PolarHBondContact O-OG1 2.98Å; A144-T147 PolarHBondContact O-N 3.11Å; A144-T147 PolarHBondContact O-OG1 2.72Å; D145-T147 VanDerWaalsContact C-N 3.26Å; D145-T147 PolarHBondContact O-N 3.12Å; T147-A149 PolarHBondContact O-N 3.43Å
148	D	86.5	Confident	89.1	Confident	107 Å²	107	36 Å²	36	57%	0.572	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	22.8	-172.8	-156.7	26.3	0	0	0	113.5	A144 D145 K194	A144-D148 PolarHBondContact O-N 3.3Å; D145-D148 PolarHBondContact O-N 3.39Å; D145-D148 VanDerWaalsContact O-N 3.09Å; D148-K194 IonicContact OD1-NZ 2.9Å; D148-K194 PolarHBondContact OD1-NZ 3.14Å
149	A	88.1	Confident	89.1	Confident	22 Å²	22	35.1 Å²	35.1	18%	0.182	19%	0.189	C	C	.	.			trans	-100	-4.8	-173.4	0	0	0	0	0	112.8	K109 V111 T147	K109-A149 WeakPolarHBondContact CE-O 3.39Å; K109-A149 VanDerWaalsContact NZ-C 3.33Å; K109-A149 PolarHBondContact NZ-O 2.92Å; V111-A149 HydrophobicContact CB-CB 4.48Å; V111-A149 HydrophobicContact CG1-CB 3.57Å; V111-A149 HydrophobicContact CG2-CB 4.04Å; V111-A149 WeakPolarHBondContact CG2-O 3.49Å; T147-A149 PolarHBondContact O-N 3.43Å
150	I	90.4	Very high	89.2	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	21%	0.207	C	C	.	.			trans	-126.8	132.1	178.9	-56.7	-171.5	0	0	0	108.5	V111 L113 V122 V135 V138 A144 L185 L187	V111-I150 HydrophobicContact CG1-CG1 4.31Å; L113-I150 HydrophobicContact CD1-CD1 3.6Å; L113-I150 HydrophobicContact CG-CD1 4.45Å; V122-I150 HydrophobicContact CG2-CG2 4.45Å; V135-I150 HydrophobicContact CB-CG2 4.44Å; V135-I150 HydrophobicContact CG1-CG2 4.09Å; V135-I150 HydrophobicContact CG2-CG2 3.72Å; V138-I150 HydrophobicContact CG2-CG2 4.43Å; A144-I150 HydrophobicContact CB-CB 4.38Å; A144-I150 HydrophobicContact CB-CD1 4.15Å; I150-L185 HydrophobicContact CD1-CD1 3.74Å; I150-L187 HydrophobicContact CD1-CD1 4.37Å; I150-L187 HydrophobicContact CG1-CD1 3.96Å
151	D	89.6	Confident	89.2	Confident	36 Å²	36	39 Å²	39	19%	0.193	22%	0.224	C	C	.	.			trans	-115.1	154.6	-178.9	-65.7	-56	0	0	0	111.6	K109 V135 G153 D154 K194	K109-D151 IonicContact NZ-OD2 2.67Å; V135-D151 WeakPolarHBondContact CB-O 3.27Å; V135-D151 VanDerWaalsContact CG1-O 3.29Å; V135-D151 WeakPolarHBondContact CG1-O 3.47Å; D151-G153 PolarHBondContact O-N 3.17Å; D151-D154 PolarHBondContact N-OD2 2.93Å; D151-D154 WeakPolarHBondContact O-CB 3.44Å; D151-D154 PolarHBondContact O-N 2.93Å; D151-K194 VanDerWaalsContact OD1-CD 3.3Å; D151-K194 WeakPolarHBondContact OD1-CD 3.49Å; D151-K194 WeakPolarHBondContact OD1-CE 3.46Å; D151-K194 IonicContact OD1-NZ 3.97Å; D151-K194 PolarHBondContact OD1-NZ 3.31Å
152	V	90	Very high	89.5	Confident	79 Å²	79	41.4 Å²	41.4	48%	0.479	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	126.8	173	179.1	0	0	0	0	108.9	A136 V138	A136-V152 WeakPolarHBondContact O-CG1 3.39Å; V138-V152 HydrophobicContact CG2-CG2 4.28Å
153	G	90.3	Very high	89.8	Confident	20 Å²	20	44.9 Å²	44.9	21%	0.206	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-4.3	-177	0	0	0	0	0	115.1	V135 D151	V135-G153 PolarHBondContact O-N 2.88Å; D151-G153 PolarHBondContact O-N 3.17Å
154	D	92.4	Very high	89.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.6	138.7	172.1	-74	-7.8	0	0	0	110.6	L134 V135 D151 I188 P189 S190	L134-D154 CarbonylContact C-O 3.44Å; L134-D154 WeakPolarHBondContact CA-O 3.5Å; V135-D154 HydrophobicContact CB-CB 4.36Å; V135-D154 HydrophobicContact CG2-CB 3.99Å; V135-D154 PolarHBondContact N-O 3.47Å; D151-D154 PolarHBondContact N-OD2 2.93Å; D151-D154 WeakPolarHBondContact O-CB 3.44Å; D151-D154 PolarHBondContact O-N 2.93Å; D154-I188 WeakPolarHBondContact CA-O 3.43Å; D154-P189 WeakPolarHBondContact OD1-CA 3.46Å; D154-S190 PolarHBondContact OD1-N 3.25Å
155	E	92.3	Very high	89.6	Confident	43 Å²	43	50.2 Å²	50.2	20%	0.201	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.6	175.7	-175.4	179	148.1	0	0	110.3	A132 V133 L134 Q157 L187 I188	A132-E155 HydrophobicContact CB-CG 4.08Å; V133-E155 WeakPolarHBondContact O-CA 3.47Å; L134-E155 HydrophobicContact CD2-CB 3.74Å; L134-E155 HydrophobicContact CD2-CG 4Å; E155-Q157 PolarHBondContact O-N 3.44Å; E155-L187 CarbonylContact O-C 3.57Å; E155-L187 WeakPolarHBondContact O-CA 3.37Å; E155-I188 HydrophobicContact CB-CB 4.12Å; E155-I188 HydrophobicContact CB-CD1 4.37Å; E155-I188 HydrophobicContact CG-CD1 4.48Å; E155-I188 PolarHBondContact N-O 3.33Å; E155-I188 PolarHBondContact O-N 3.1Å
156	I	92.2	Very high	89	Confident	6 Å²	6	51 Å²	51	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.7	174.2	-53.6	174.4	0	0	0	108	I124 V133 V135 I159 V164 L185 L187	I124-I156 HydrophobicContact CG2-CD1 3.93Å; V133-I156 HydrophobicContact CB-CB 4.4Å; V133-I156 HydrophobicContact CG1-CB 4.39Å; V133-I156 HydrophobicContact CG1-CD1 4.23Å; V133-I156 PolarHBondContact O-N 2.86Å; V135-I156 HydrophobicContact CG2-CD1 4.38Å; V135-I156 HydrophobicContact CG2-CG1 4.31Å; I156-I159 HydrophobicContact CG2-CD1 4.39Å; I156-I159 HydrophobicContact CG2-CG1 3.87Å; I156-V164 HydrophobicContact CB-CG2 4.43Å; I156-V164 HydrophobicContact CG2-CG2 4.16Å; I156-V164 WeakPolarHBondContact O-CG2 3.24Å; I156-L185 HydrophobicContact CG2-CD2 4.45Å; I156-L187 HydrophobicContact CB-CD2 4.11Å; I156-L187 HydrophobicContact CG1-CD2 3.65Å; I156-L187 HydrophobicContact CG2-CD2 4.33Å
157	Q	91.7	Very high	89	Confident	49 Å²	49	49.1 Å²	49.1	23%	0.229	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-42.4	175.5	-72.7	-162.6	-12.7	0	0	113	E155 T163 V164 K186 I188	E155-Q157 PolarHBondContact O-N 3.44Å; Q157-T163 WeakPolarHBondContact O-CA 3.36Å; Q157-V164 WeakPolarHBondContact O-CG2 3.34Å; Q157-V164 PolarHBondContact O-N 3.29Å; Q157-K186 PolarHBondContact N-O 3.12Å; Q157-I188 HydrophobicContact CG-CD1 4.08Å; Q157-I188 HydrophobicContact CG-CG1 4.01Å; Q157-I188 VanDerWaalsContact NE2-CG1 3.29Å
158	E	92.8	Very high	88.8	Confident	49 Å²	49	50 Å²	50	23%	0.229	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.3	-178.9	-58.2	168.2	-158.8	0	0	111.6	I162 L185 K186	E158-I162 CarbonylContact C-O 3.58Å; E158-I162 VanDerWaalsContact CA-O 3.25Å; E158-I162 WeakPolarHBondContact CA-O 3.27Å; E158-L185 WeakPolarHBondContact O-CA 3.43Å; E158-K186 HydrophobicContact CB-CB 3.77Å; E158-K186 HydrophobicContact CB-CD 4.31Å; E158-K186 HydrophobicContact CG-CB 4.28Å; E158-K186 HydrophobicContact CG-CD 3.94Å; E158-K186 PolarHBondContact N-O 3.16Å; E158-K186 PolarHBondContact O-N 3.14Å; E158-K186 VanDerWaalsContact OE1-CD 3.25Å; E158-K186 WeakPolarHBondContact OE1-CD 3.25Å; E158-K186 IonicContact OE1-NZ 3.75Å; E158-K186 PolarHBondContact OE1-NZ 2.84Å; E158-K186 WeakPolarHBondContact OE2-CD 3.36Å
159	I	91.8	Very high	88.6	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.4	172	-56.1	168.4	0	0	0	107.6	I156 G161 I162 V164 V172 L176 I179 V183 L185	I156-I159 HydrophobicContact CG2-CD1 4.39Å; I156-I159 HydrophobicContact CG2-CG1 3.87Å; I159-G161 PolarHBondContact O-N 3.42Å; I159-G161 VanDerWaalsContact O-N 3.16Å; I159-I162 PolarHBondContact N-O 2.68Å; I159-I162 WeakPolarHBondContact O-CB 3.44Å; I159-I162 PolarHBondContact O-N 3.43Å; I159-V164 HydrophobicContact CB-CG1 4.41Å; I159-V164 HydrophobicContact CD1-CG1 3.45Å; I159-V164 VanDerWaalsContact CD1-CG1 3.45Å; I159-V164 HydrophobicContact CG1-CG1 3.64Å; I159-V172 HydrophobicContact CD1-CG1 4.09Å; I159-L176 HydrophobicContact CD1-CD1 4.27Å; I159-L176 HydrophobicContact CD1-CD2 3.61Å; I159-L176 HydrophobicContact CD1-CG 3.71Å; I159-L176 HydrophobicContact CG1-CD2 4.23Å; I159-L176 HydrophobicContact CG2-CD2 4.12Å; I159-I179 HydrophobicContact CG2-CD1 3.49Å; I159-I179 VanDerWaalsContact CG2-CD1 3.49Å; I159-V183 HydrophobicContact CG2-CG1 4.3Å; I159-L185 HydrophobicContact CB-CD2 4.2Å; I159-L185 HydrophobicContact CG1-CD2 3.75Å; I159-L185 HydrophobicContact CG2-CD2 4.03Å
160	N	91.2	Very high	88.3	Confident	70 Å²	70	51.8 Å²	51.8	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.9	-177	-74	-6.1	0	0	0	113.7	I162 I179 D182 K184	N160-I162 VanDerWaalsContact C-N 3.31Å; N160-I179 WeakPolarHBondContact ND2-CG2 3.46Å; N160-D182 PolarHBondContact ND2-O 3.35Å; N160-K184 PolarHBondContact N-O 3.11Å; N160-K184 PolarHBondContact OD1-N 2.75Å
161	G	88.9	Confident	88.2	Confident	55 Å²	55	54.3 Å²	54.3	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	1.6	-178.7	0	0	0	0	0	115	I159	I159-G161 PolarHBondContact O-N 3.42Å; I159-G161 VanDerWaalsContact O-N 3.16Å
162	I	90.7	Very high	88	Confident	70 Å²	70	52.7 Å²	52.7	36%	0.359	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.8	175.2	-56.3	176.2	0	0	0	109	E158 I159 N160 V164 R167 M175	E158-I162 CarbonylContact C-O 3.58Å; E158-I162 VanDerWaalsContact CA-O 3.25Å; E158-I162 WeakPolarHBondContact CA-O 3.27Å; I159-I162 PolarHBondContact N-O 2.68Å; I159-I162 WeakPolarHBondContact O-CB 3.44Å; I159-I162 PolarHBondContact O-N 3.43Å; N160-I162 VanDerWaalsContact C-N 3.31Å; I162-V164 PolarHBondContact O-N 2.84Å; I162-R167 VanDerWaalsContact CG2-NH2 3.28Å; I162-M175 HydrophobicContact CD1-SD 4.41Å; I162-M175 HydrophobicContact CG2-SD 3.98Å
163	T	90.9	Very high	87.7	Confident	73 Å²	73	52.4 Å²	52.4	45%	0.448	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.9	174.5	-48.1	0	0	0	0	111.1	Q157 H165 R167	Q157-T163 WeakPolarHBondContact O-CA 3.36Å; T163-H165 HydrophobicContact CG2-CB 4.06Å; T163-R167 WeakPolarHBondContact O-CD 3.48Å; T163-R167 PolarHBondContact O-NE 3.39Å
164	V	88.9	Confident	87.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	31%	0.311	C	S	.	.			trans	-95.4	-19.6	179.1	-57.9	0	0	0	0	113.5	V133 I156 Q157 I159 I162 G166 R167 V172 M175	V133-V164 HydrophobicContact CB-CG2 4.2Å; V133-V164 HydrophobicContact CG2-CB 4.28Å; V133-V164 HydrophobicContact CG2-CG2 3.92Å; I156-V164 HydrophobicContact CB-CG2 4.43Å; I156-V164 HydrophobicContact CG2-CG2 4.16Å; I156-V164 WeakPolarHBondContact O-CG2 3.24Å; Q157-V164 WeakPolarHBondContact O-CG2 3.34Å; Q157-V164 PolarHBondContact O-N 3.29Å; I159-V164 HydrophobicContact CB-CG1 4.41Å; I159-V164 HydrophobicContact CD1-CG1 3.45Å; I159-V164 VanDerWaalsContact CD1-CG1 3.45Å; I159-V164 HydrophobicContact CG1-CG1 3.64Å; I162-V164 PolarHBondContact O-N 2.84Å; V164-G166 PolarHBondContact O-N 3.25Å; V164-R167 WeakPolarHBondContact O-CB 3.46Å; V164-R167 PolarHBondContact O-N 3.32Å; V164-V172 HydrophobicContact CB-CG2 4.12Å; V164-V172 HydrophobicContact CG1-CG1 4.34Å; V164-V172 HydrophobicContact CG1-CG2 4.42Å; V164-M175 HydrophobicContact CG1-CE 4.13Å
165	H	82.8	Confident	87.2	Confident	114 Å²	114	58.9 Å²	58.9	53%	0.528	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	125.1	178.9	-177.7	-79.9	0	0	0	111	N130 T163 R167	N130-H165 PolarHBondContact O-NE2 3.45Å; T163-H165 HydrophobicContact CG2-CB 4.06Å; H165-R167 VanDerWaalsContact C-N 3.29Å; H165-R167 PolarHBondContact O-N 3.44Å
166	G	77.2	Confident	86.8	Confident	65 Å²	65	58.2 Å²	58.2	67%	0.67	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	1.5	-179.3	0	0	0	0	0	115.5	V164	V164-G166 PolarHBondContact O-N 3.25Å
167	R	84.2	Confident	86.3	Confident	99 Å²	99	62.2 Å²	62.2	37%	0.374	34%	0.34	S	S	.	.	S	Bend	trans	-79.3	157.7	172.1	-67.9	-164.7	-174.8	-106.8	-6.7	111.7	I162 T163 V164 H165 E171 V172	I162-R167 VanDerWaalsContact CG2-NH2 3.28Å; T163-R167 WeakPolarHBondContact O-CD 3.48Å; T163-R167 PolarHBondContact O-NE 3.39Å; V164-R167 WeakPolarHBondContact O-CB 3.46Å; V164-R167 PolarHBondContact O-N 3.32Å; H165-R167 VanDerWaalsContact C-N 3.29Å; H165-R167 PolarHBondContact O-N 3.44Å; R167-E171 IonicContact CZ-OE1 2.69Å; R167-E171 IonicContact NH1-OE1 2.9Å; R167-E171 PolarHBondContact NH1-OE1 3Å; R167-E171 IonicContact NH1-OE2 2.8Å; R167-V172 HydrophobicContact CB-CG2 4.06Å
168	D	82.3	Confident	86	Confident	84 Å²	84	65.3 Å²	65.3	45%	0.449	36%	0.362	S	S	.	.			trans	-64.4	135.3	175.5	173.8	-99.5	0	0	0	110.8	M170 E171 V172	D168-M170 PolarHBondContact O-N 3.13Å; D168-M170 VanDerWaalsContact O-N 3.17Å; D168-M170 WeakPolarHBondContact OD1-CA 3.27Å; D168-M170 WeakPolarHBondContact OD1-CB 3.29Å; D168-M170 PolarHBondContact OD1-N 3.11Å; D168-E171 HydrophobicContact CB-CB 4.1Å; D168-E171 WeakPolarHBondContact O-CA 3.32Å; D168-E171 VanDerWaalsContact O-CB 3.24Å; D168-E171 WeakPolarHBondContact O-CB 3.46Å; D168-E171 PolarHBondContact O-N 2.91Å; D168-E171 PolarHBondContact OD1-N 2.95Å; D168-V172 PolarHBondContact O-N 3.18Å; D168-V172 VanDerWaalsContact O-N 3.07Å
169	P	81.7	Confident	85.6	Confident	56 Å²	56	64.7 Å²	64.7	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-45.2	-45.9	176	-32	33.1	0	0	0	114.6	I126 E171 V172 I173	I126-P169 VanDerWaalsContact CD1-CA 3.43Å; I126-P169 HydrophobicContact CD1-CB 3.24Å; I126-P169 HydrophobicContact CD1-CG 3.36Å; P169-E171 VanDerWaalsContact C-N 3.3Å; P169-E171 PolarHBondContact O-N 2.88Å; P169-V172 PolarHBondContact O-N 3.04Å; P169-I173 WeakPolarHBondContact O-CG1 3.48Å; P169-I173 PolarHBondContact O-N 2.89Å
170	M	83.3	Confident	85.1	Confident	112 Å²	112	69 Å²	69	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-72.4	-29.4	-177.6	-62.6	-67.1	-68	0	0	110.8	D168 I173 R174	D168-M170 PolarHBondContact O-N 3.13Å; D168-M170 VanDerWaalsContact O-N 3.17Å; D168-M170 WeakPolarHBondContact OD1-CA 3.27Å; D168-M170 WeakPolarHBondContact OD1-CB 3.29Å; D168-M170 PolarHBondContact OD1-N 3.11Å; M170-I173 HydrophobicContact SD-CD1 4.25Å; M170-R174 VanDerWaalsContact CB-NH1 3.35Å; M170-R174 WeakPolarHBondContact O-CB 3.33Å; M170-R174 VanDerWaalsContact O-CG 3.23Å; M170-R174 WeakPolarHBondContact O-CG 3.35Å; M170-R174 PolarHBondContact O-N 2.82Å; M170-R174 PolarHBondContact O-NH1 3.08Å
171	E	86.6	Confident	84.8	Confident	58 Å²	58	66.9 Å²	66.9	27%	0.271	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-44.2	171.1	-163.6	-172.7	169.4	0	0	111.8	R167 D168 P169 I173 R174 M175	R167-E171 IonicContact CZ-OE1 2.69Å; R167-E171 IonicContact NH1-OE1 2.9Å; R167-E171 PolarHBondContact NH1-OE1 3Å; R167-E171 IonicContact NH1-OE2 2.8Å; D168-E171 HydrophobicContact CB-CB 4.1Å; D168-E171 WeakPolarHBondContact O-CA 3.32Å; D168-E171 VanDerWaalsContact O-CB 3.24Å; D168-E171 WeakPolarHBondContact O-CB 3.46Å; D168-E171 PolarHBondContact O-N 2.91Å; D168-E171 PolarHBondContact OD1-N 2.95Å; P169-E171 VanDerWaalsContact C-N 3.3Å; P169-E171 PolarHBondContact O-N 2.88Å; E171-I173 PolarHBondContact O-N 3.1Å; E171-R174 VanDerWaalsContact CA-NH2 3.31Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-M175 WeakPolarHBondContact O-CG 3.11Å; E171-M175 PolarHBondContact O-N 3.14Å
172	V	86.4	Confident	84.8	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-43.7	176.8	-178.4	0	0	0	0	111.2	I124 V133 I159 V164 R167 D168 P169 M175 L176	I124-V172 HydrophobicContact CD1-CG1 4.07Å; V133-V172 HydrophobicContact CG1-CG1 4.25Å; V133-V172 HydrophobicContact CG2-CG1 4.36Å; V133-V172 HydrophobicContact CG2-CG2 4.28Å; I159-V172 HydrophobicContact CD1-CG1 4.09Å; V164-V172 HydrophobicContact CB-CG2 4.12Å; V164-V172 HydrophobicContact CG1-CG1 4.34Å; V164-V172 HydrophobicContact CG1-CG2 4.42Å; R167-V172 HydrophobicContact CB-CG2 4.06Å; D168-V172 PolarHBondContact O-N 3.18Å; D168-V172 VanDerWaalsContact O-N 3.07Å; P169-V172 PolarHBondContact O-N 3.04Å; V172-M175 HydrophobicContact CB-CE 4.32Å; V172-M175 HydrophobicContact CG2-CE 4.04Å; V172-M175 PolarHBondContact O-N 3.13Å; V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 PolarHBondContact O-N 2.72Å
173	I	82.9	Confident	84.6	Confident	74 Å²	74	66.6 Å²	66.6	38%	0.379	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175	-65.6	167.2	0	0	0	110.7	I124 P169 M170 E171 M175 L176 T177	I124-I173 HydrophobicContact CD1-CG1 4.08Å; P169-I173 WeakPolarHBondContact O-CG1 3.48Å; P169-I173 PolarHBondContact O-N 2.89Å; M170-I173 HydrophobicContact SD-CD1 4.25Å; E171-I173 PolarHBondContact O-N 3.1Å; I173-M175 PolarHBondContact O-N 2.75Å; I173-L176 PolarHBondContact O-N 3.38Å; I173-T177 HydrophobicContact CG2-CG2 4.23Å; I173-T177 WeakPolarHBondContact O-CB 3.47Å; I173-T177 VanDerWaalsContact O-CG2 3.28Å; I173-T177 WeakPolarHBondContact O-CG2 3.47Å; I173-T177 PolarHBondContact O-N 3.32Å; I173-T177 PolarHBondContact O-OG1 3.48Å
174	R	86	Confident	84.7	Confident	129 Å²	129	68.3 Å²	68.3	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-45.5	175.6	-78.1	-172.3	-53.4	-91.2	1.7	111.5	M170 E171 L176 T177 T178	M170-R174 VanDerWaalsContact CB-NH1 3.35Å; M170-R174 WeakPolarHBondContact O-CB 3.33Å; M170-R174 VanDerWaalsContact O-CG 3.23Å; M170-R174 WeakPolarHBondContact O-CG 3.35Å; M170-R174 PolarHBondContact O-N 2.82Å; M170-R174 PolarHBondContact O-NH1 3.08Å; E171-R174 VanDerWaalsContact CA-NH2 3.31Å; E171-R174 PolarHBondContact O-N 3.37Å; R174-L176 PolarHBondContact O-N 3.01Å; R174-T177 VanDerWaalsContact CA-OG1 3.31Å; R174-T177 WeakPolarHBondContact CA-OG1 2.94Å; R174-T177 PolarHBondContact O-N 3.22Å; R174-T177 PolarHBondContact O-OG1 2.92Å; R174-T178 VanDerWaalsContact O-CB 3.3Å; R174-T178 WeakPolarHBondContact O-CB 3.27Å; R174-T178 PolarHBondContact O-N 2.89Å; R174-T178 PolarHBondContact O-OG1 3.4Å
175	M	86.5	Confident	84.9	Confident	28 Å²	28	68.4 Å²	68.4	14%	0.138	37%	0.373	C	S	.	.	H	α-helix	trans	-57.6	-52.7	175.9	-72	-172.1	-66.6	0	0	111.1	I162 V164 E171 V172 I173 T177 T178 I179	I162-M175 HydrophobicContact CD1-SD 4.41Å; I162-M175 HydrophobicContact CG2-SD 3.98Å; V164-M175 HydrophobicContact CG1-CE 4.13Å; E171-M175 WeakPolarHBondContact O-CG 3.11Å; E171-M175 PolarHBondContact O-N 3.14Å; V172-M175 HydrophobicContact CB-CE 4.32Å; V172-M175 HydrophobicContact CG2-CE 4.04Å; V172-M175 PolarHBondContact O-N 3.13Å; I173-M175 PolarHBondContact O-N 2.75Å; M175-T177 VanDerWaalsContact C-N 3.26Å; M175-T177 PolarHBondContact O-N 3.02Å; M175-T178 PolarHBondContact O-N 2.91Å; M175-I179 WeakPolarHBondContact O-CB 3.37Å; M175-I179 VanDerWaalsContact O-CD1 3.25Å; M175-I179 WeakPolarHBondContact O-CD1 3.46Å; M175-I179 WeakPolarHBondContact O-CG1 3.46Å; M175-I179 PolarHBondContact O-N 2.82Å
176	L	83.7	Confident	85.3	Confident	29 Å²	29	65.9 Å²	65.9	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-28.7	-179.7	-73.1	174	0	0	0	113.5	K115 L120 I124 I159 V172 I173 R174 L185	K115-L176 PolarHBondContact NZ-O 3.15Å; L120-L176 HydrophobicContact CD1-CD2 4.02Å; I124-L176 HydrophobicContact CD1-CD1 4.33Å; I159-L176 HydrophobicContact CD1-CD1 4.27Å; I159-L176 HydrophobicContact CD1-CD2 3.61Å; I159-L176 HydrophobicContact CD1-CG 3.71Å; I159-L176 HydrophobicContact CG1-CD2 4.23Å; I159-L176 HydrophobicContact CG2-CD2 4.12Å; V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 PolarHBondContact O-N 2.72Å; I173-L176 PolarHBondContact O-N 3.38Å; R174-L176 PolarHBondContact O-N 3.01Å; L176-L185 HydrophobicContact CD2-CD2 4.44Å
177	T	82.7	Confident	86.1	Confident	89 Å²	89	62.8 Å²	62.8	55%	0.546	33%	0.329	S	S	.	.	H	α-helix	trans	-83.2	-39.6	179	50.1	0	0	0	0	112.5	K115 I173 R174 M175	K115-T177 PolarHBondContact NZ-O 3.02Å; I173-T177 HydrophobicContact CG2-CG2 4.23Å; I173-T177 WeakPolarHBondContact O-CB 3.47Å; I173-T177 VanDerWaalsContact O-CG2 3.28Å; I173-T177 WeakPolarHBondContact O-CG2 3.47Å; I173-T177 PolarHBondContact O-N 3.32Å; I173-T177 PolarHBondContact O-OG1 3.48Å; R174-T177 VanDerWaalsContact CA-OG1 3.31Å; R174-T177 WeakPolarHBondContact CA-OG1 2.94Å; R174-T177 PolarHBondContact O-N 3.22Å; R174-T177 PolarHBondContact O-OG1 2.92Å; M175-T177 VanDerWaalsContact C-N 3.26Å; M175-T177 PolarHBondContact O-N 3.02Å
178	T	85.4	Confident	86.4	Confident	114 Å²	114	59.8 Å²	59.8	70%	0.699	32%	0.32	S	S	*	.	H	α-helix	trans	-75	-33.6	-179.3	-56.9	0	0	0	0	113.4	R174 M175 S180	R174-T178 VanDerWaalsContact O-CB 3.3Å; R174-T178 WeakPolarHBondContact O-CB 3.27Å; R174-T178 PolarHBondContact O-N 2.89Å; R174-T178 PolarHBondContact O-OG1 3.4Å; M175-T178 PolarHBondContact O-N 2.91Å; T178-S180 PolarHBondContact O-N 2.77Å
179	I	84.3	Confident	86.8	Confident	37 Å²	37	58 Å²	58	19%	0.19	31%	0.312	C	S	.	.			trans	-63.3	134.6	177.6	-64.7	162	0	0	0	109.5	K115 I159 N160 M175 V183	K115-I179 VanDerWaalsContact CD-O 3.32Å; K115-I179 WeakPolarHBondContact CD-O 3.31Å; K115-I179 PolarHBondContact NZ-O 3.11Å; I159-I179 HydrophobicContact CG2-CD1 3.49Å; I159-I179 VanDerWaalsContact CG2-CD1 3.49Å; N160-I179 WeakPolarHBondContact ND2-CG2 3.46Å; M175-I179 WeakPolarHBondContact O-CB 3.37Å; M175-I179 VanDerWaalsContact O-CD1 3.25Å; M175-I179 WeakPolarHBondContact O-CD1 3.46Å; M175-I179 WeakPolarHBondContact O-CG1 3.46Å; M175-I179 PolarHBondContact O-N 2.82Å; I179-V183 HydrophobicContact CG2-CG2 3.75Å
180	S	81.9	Confident	86.9	Confident	91 Å²	91	56.9 Å²	56.9	64%	0.636	31%	0.306	S	S	*	.			trans	-128.7	156.7	172.7	61.1	0	0	0	0	110	T178	T178-S180 PolarHBondContact O-N 2.77Å
181	G	84.6	Confident	86.4	Confident	26 Å²	26	59.7 Å²	59.7	27%	0.268	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-135.7	-175.9	0	0	0	0	0	112.2	K115 V183	K115-G181 WeakPolarHBondContact CB-O 3.37Å; K115-G181 PolarHBondContact N-O 3.13Å; K115-G181 PolarHBondContact O-N 2.83Å; G181-V183 PolarHBondContact O-N 3.32Å
182	D	87.2	Confident	85.3	Confident	118 Å²	118	62 Å²	62	63%	0.631	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.5	-175.2	-62.3	-33	0	0	0	112.1	N160	N160-D182 PolarHBondContact ND2-O 3.35Å
183	V	88.2	Confident	83.8	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.006	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.3	176.3	-170.7	0	0	0	0	108.7	N112 L113 K115 L120 I159 I179 G181 L185	N112-V183 WeakPolarHBondContact CA-O 3.48Å; L113-V183 PolarHBondContact N-O 3.22Å; L113-V183 PolarHBondContact O-N 3.4Å; K115-V183 HydrophobicContact CB-CG2 3.78Å; K115-V183 HydrophobicContact CD-CG2 4.37Å; L120-V183 HydrophobicContact CD1-CG1 4.2Å; L120-V183 HydrophobicContact CD2-CB 4.34Å; L120-V183 HydrophobicContact CD2-CG2 4.07Å; I159-V183 HydrophobicContact CG2-CG1 4.3Å; I179-V183 HydrophobicContact CG2-CG2 3.75Å; G181-V183 PolarHBondContact O-N 3.32Å; V183-L185 HydrophobicContact CG1-CD2 3.85Å; V183-L185 HydrophobicContact CG1-CG 4.12Å
184	K	92.1	Very high	82.6	Confident	108 Å²	108	73.2 Å²	73.2	47%	0.47	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.8	170.8	176.4	177.2	-94.2	-175	0	109.4	V110 V111 N112 N160	V110-K184 HydrophobicContact CG1-CD 4.06Å; V110-K184 HydrophobicContact CG1-CG 3.88Å; V111-K184 CarbonylContact O-C 3.56Å; V111-K184 WeakPolarHBondContact O-CA 3.39Å; N112-K184 WeakPolarHBondContact OD1-CB 3.4Å; N112-K184 WeakPolarHBondContact OD1-CE 3.34Å; N112-K184 WeakPolarHBondContact OD1-CG 3.44Å; N160-K184 PolarHBondContact N-O 3.11Å; N160-K184 PolarHBondContact OD1-N 2.75Å
185	L	92.8	Very high	81	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.021	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.7	174.8	-59.5	179	0	0	0	109.7	V110 V111 L113 I150 I156 E158 I159 L176 V183 L187	V110-L185 CarbonylContact C-O 3.54Å; V110-L185 WeakPolarHBondContact CA-O 3.17Å; V111-L185 PolarHBondContact N-O 3Å; V111-L185 PolarHBondContact O-N 3.36Å; L113-L185 HydrophobicContact CD1-CD1 4.24Å; I150-L185 HydrophobicContact CD1-CD1 3.74Å; I156-L185 HydrophobicContact CG2-CD2 4.45Å; E158-L185 WeakPolarHBondContact O-CA 3.43Å; I159-L185 HydrophobicContact CB-CD2 4.2Å; I159-L185 HydrophobicContact CG1-CD2 3.75Å; I159-L185 HydrophobicContact CG2-CD2 4.03Å; L176-L185 HydrophobicContact CD2-CD2 4.44Å; V183-L185 HydrophobicContact CG1-CD2 3.85Å; V183-L185 HydrophobicContact CG1-CG 4.12Å; L185-L187 HydrophobicContact CB-CD2 3.98Å; L185-L187 HydrophobicContact CB-CG 4.23Å
186	K	92.5	Very high	79.4	Confident	60 Å²	60	82.9 Å²	82.9	26%	0.261	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.3	169.5	-170.2	-178.5	173.9	-178.2	0	107.8	V108 V110 Q157 E158	V108-K186 HydrophobicContact CG1-CB 4.46Å; V108-K186 HydrophobicContact CG1-CD 3.93Å; V108-K186 HydrophobicContact CG1-CG 3.16Å; V110-K186 HydrophobicContact CG2-CG 4.44Å; Q157-K186 PolarHBondContact N-O 3.12Å; E158-K186 HydrophobicContact CB-CB 3.77Å; E158-K186 HydrophobicContact CB-CD 4.31Å; E158-K186 HydrophobicContact CG-CB 4.28Å; E158-K186 HydrophobicContact CG-CD 3.94Å; E158-K186 PolarHBondContact N-O 3.16Å; E158-K186 PolarHBondContact O-N 3.14Å; E158-K186 VanDerWaalsContact OE1-CD 3.25Å; E158-K186 WeakPolarHBondContact OE1-CD 3.25Å; E158-K186 IonicContact OE1-NZ 3.75Å; E158-K186 PolarHBondContact OE1-NZ 2.84Å; E158-K186 WeakPolarHBondContact OE2-CD 3.36Å
187	L	92.5	Very high	77.8	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144	-169.7	-52.9	177.5	0	0	0	111	V108 K109 V111 I150 E155 I156 L185	V108-L187 CarbonylContact C-O 3.57Å; V108-L187 WeakPolarHBondContact CA-O 3.39Å; V108-L187 WeakPolarHBondContact CG1-O 3.05Å; K109-L187 HydrophobicContact CB-CB 4.38Å; K109-L187 PolarHBondContact N-O 2.83Å; K109-L187 PolarHBondContact O-N 3.23Å; V111-L187 HydrophobicContact CB-CD1 4.44Å; V111-L187 HydrophobicContact CG2-CD1 3.76Å; I150-L187 HydrophobicContact CD1-CD1 4.37Å; I150-L187 HydrophobicContact CG1-CD1 3.96Å; E155-L187 CarbonylContact O-C 3.57Å; E155-L187 WeakPolarHBondContact O-CA 3.37Å; I156-L187 HydrophobicContact CB-CD2 4.11Å; I156-L187 HydrophobicContact CG1-CD2 3.65Å; I156-L187 HydrophobicContact CG2-CD2 4.33Å; L185-L187 HydrophobicContact CB-CD2 3.98Å; L185-L187 HydrophobicContact CB-CG 4.23Å
188	I	91.3	Very high	76.4	Confident	36 Å²	36	88.7 Å²	88.7	19%	0.185	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119	156.4	-55.3	164.9	0	0	0	106.9	I106 D154 E155 Q157	I106-I188 HydrophobicContact CG2-CD1 4.16Å; I106-I188 HydrophobicContact CG2-CG1 3.96Å; I106-I188 HydrophobicContact CG2-CG2 3.89Å; D154-I188 WeakPolarHBondContact CA-O 3.43Å; E155-I188 HydrophobicContact CB-CB 4.12Å; E155-I188 HydrophobicContact CB-CD1 4.37Å; E155-I188 HydrophobicContact CG-CD1 4.48Å; E155-I188 PolarHBondContact N-O 3.33Å; E155-I188 PolarHBondContact O-N 3.1Å; Q157-I188 HydrophobicContact CG-CD1 4.08Å; Q157-I188 HydrophobicContact CG-CG1 4.01Å; Q157-I188 VanDerWaalsContact NE2-CG1 3.29Å
189	P	89.8	Confident	75	Confident	46 Å²	46	91.4 Å²	91.4	30%	0.299	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-59.3	141.4	177.4	-23.6	34.4	0	0	0	112.4	S107 K109 D154	S107-P189 WeakPolarHBondContact O-CD 3.21Å; K109-P189 HydrophobicContact CB-CG 3.9Å; K109-P189 HydrophobicContact CD-CG 4.42Å; D154-P189 WeakPolarHBondContact OD1-CA 3.46Å
190	S	84.5	Confident	73.8	Confident	34 Å²	34	93.3 Å²	93.3	24%	0.238	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-64.2	143.4	170.2	-160.9	0	0	0	0	111.5	D154 T192	D154-S190 PolarHBondContact OD1-N 3.25Å; S190-T192 PolarHBondContact O-N 2.79Å; S190-T192 PolarHBondContact OG-N 3.33Å; S190-T192 PolarHBondContact OG-OG1 3.03Å
191	I	73.6	Confident	73.6	Confident	170 Å²	170	93.5 Å²	93.5	87%	0.872	48%	0.475	S	S	*	.	S	Bend	trans	-68	-15.7	169.8	-58.1	169.7	0	0	0	110.8	K193	I191-K193 PolarHBondContact O-N 3.35Å; I191-K193 VanDerWaalsContact O-N 3.15Å
192	T	62.1	Low	73.8	Confident	106 Å²	106	93.7 Å²	93.7	65%	0.65	47%	0.471	S	S	*	.			trans	-73.3	106.7	-176.1	-36.5	0	0	0	0	110.8	S190 K194	S190-T192 PolarHBondContact O-N 2.79Å; S190-T192 PolarHBondContact OG-N 3.33Å; S190-T192 PolarHBondContact OG-OG1 3.03Å; T192-K194 PolarHBondContact O-N 3.08Å
193	K	56.4	Low	74.1	Confident	193 Å²	193	90.5 Å²	90.5	84%	0.839	45%	0.453	S	S	*	.			trans	-68	128.4	175.3	-68	-177.6	178.6	179	0	110.7	I191 Q195	I191-K193 PolarHBondContact O-N 3.35Å; I191-K193 VanDerWaalsContact O-N 3.15Å; K193-Q195 PolarHBondContact O-N 2.99Å; K193-Q195 VanDerWaalsContact O-N 3.16Å
194	K	57.6	Low	74.4	Confident	119 Å²	119	90.7 Å²	90.7	52%	0.517	45%	0.453	S	S	.	.			trans	-55.6	114.2	166.2	-88	175	159.2	159.4	0	109.5	D148 D151 T192 Q196	D148-K194 IonicContact OD1-NZ 2.9Å; D148-K194 PolarHBondContact OD1-NZ 3.14Å; D151-K194 VanDerWaalsContact OD1-CD 3.3Å; D151-K194 WeakPolarHBondContact OD1-CD 3.49Å; D151-K194 WeakPolarHBondContact OD1-CE 3.46Å; D151-K194 IonicContact OD1-NZ 3.97Å; D151-K194 PolarHBondContact OD1-NZ 3.31Å; T192-K194 PolarHBondContact O-N 3.08Å; K194-Q196 PolarHBondContact O-N 3.4Å
195	Q	52.5	Low	74.5	Confident	181 Å²	181	86.4 Å²	86.4	85%	0.846	43%	0.434	S	S	*	.			trans	-72.8	119.4	152.8	-69.5	-176.5	10.7	0	0	105.5	K193 A197	K193-Q195 PolarHBondContact O-N 2.99Å; K193-Q195 VanDerWaalsContact O-N 3.16Å; Q195-A197 VanDerWaalsContact C-N 3.26Å; Q195-A197 PolarHBondContact O-N 3.07Å
196	Q	51.2	Low	74.4	Confident	178 Å²	178	86.2 Å²	86.2	83%	0.832	43%	0.433	S	S	*	.			trans	-66.9	91.6	173.4	-75.7	-177.5	-2.2	0	0	107.9	K194 E198	K194-Q196 PolarHBondContact O-N 3.4Å; Q196-E198 PolarHBondContact O-N 3.2Å
197	A	51.8	Low	74.3	Confident	55 Å²	55	84.4 Å²	84.4	46%	0.455	43%	0.426	S	S	.	.			trans	-62.9	134.6	171.3	0	0	0	0	0	109	Q195 K199 E239	Q195-A197 VanDerWaalsContact C-N 3.26Å; Q195-A197 PolarHBondContact O-N 3.07Å; A197-K199 PolarHBondContact O-N 3.12Å; A197-E239 HydrophobicContact CB-CG 4.41Å; A197-E239 WeakPolarHBondContact CB-OE1 3.46Å
198	E	52.6	Low	74.1	Confident	186 Å²	186	85.8 Å²	85.8	87%	0.869	43%	0.432	S	S	*	.			trans	-59.1	127.4	172	-72.5	-171.3	157	0	0	109	Q196 S200	Q196-E198 PolarHBondContact O-N 3.2Å; E198-S200 PolarHBondContact O-N 3.22Å
199	K	55.4	Low	74	Confident	170 Å²	170	87.4 Å²	87.4	74%	0.739	45%	0.447	S	S	*	.			trans	-73.9	74.9	178.9	-65	-176.2	178.9	-175.2	0	109.5	A197 Q201	A197-K199 PolarHBondContact O-N 3.12Å; K199-Q201 PolarHBondContact O-N 3.49Å; K199-Q201 VanDerWaalsContact O-N 3.14Å
200	S	60	Low	74.1	Confident	77 Å²	77	86.1 Å²	86.1	54%	0.538	44%	0.437	S	S	.	.			trans	-77.6	93.1	170.4	61.1	0	0	0	0	109.1	E198 V202	E198-S200 PolarHBondContact O-N 3.22Å; S200-V202 PolarHBondContact O-N 2.86Å
201	Q	76.9	Confident	74.5	Confident	95 Å²	95	86.8 Å²	86.8	44%	0.444	44%	0.441	S	S	.	.			trans	-75.8	116.2	171.7	-65.1	-173.3	-17.6	0	0	108.6	K199	K199-Q201 PolarHBondContact O-N 3.49Å; K199-Q201 VanDerWaalsContact O-N 3.14Å
202	V	89.9	Confident	75.4	Confident	31 Å²	31	79 Å²	79	19%	0.188	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.2	-179.5	-179.7	0	0	0	0	108.7	S200 V204 I235 E311	S200-V202 PolarHBondContact O-N 2.86Å; V202-V204 HydrophobicContact CG1-CG1 4.16Å; V202-I235 PolarHBondContact N-O 2.91Å; V202-I235 PolarHBondContact O-N 3.44Å; V202-E311 HydrophobicContact CG1-CG 3.83Å
203	H	93.5	Very high	76.8	Confident	51 Å²	51	79 Å²	79	24%	0.236	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	172	-60.7	93	0	0	0	109.4	I232 L233 R234 V312 W600	H203-I232 HydrophobicContact CB-CG2 4.47Å; H203-L233 CarbonylContact C-O 3.46Å; H203-L233 WeakPolarHBondContact CA-O 3.37Å; H203-R234 WeakPolarHBondContact NE2-CD 3.49Å; H203-V312 HydrophobicContact CB-CG2 4.05Å; H203-V312 WeakPolarHBondContact CB-O 3.44Å; H203-V312 PolarHBondContact O-N 3.29Å; H203-W600 HydrophobicContact CB-CE3 4.28Å; H203-W600 HydrophobicContact CB-CH2 3.84Å; H203-W600 HydrophobicContact CB-CZ3 3.41Å; H203-W600 VanDerWaalsContact CB-CZ3 3.41Å; H203-W600 AromaticContact CD2-CH2 3.52Å; H203-W600 AromaticContact CG-CH2 3.49Å; H203-W600 VanDerWaalsContact CG-CH2 3.49Å; H203-W600 AromaticContact CG-CZ3 3.53Å; H203-W600 AromaticContact ND1-CH2 3.95Å; H203-W600 AromaticContact ND1-CZ3 3.97Å
204	V	93.8	Very high	78.4	Confident	4 Å²	4	74.4 Å²	74.4	2%	0.024	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.1	179.3	-58.8	0	0	0	0	111	V202 I232 L233 I235 Y309 E310 E311	V202-V204 HydrophobicContact CG1-CG1 4.16Å; V204-I232 CarbonylContact O-C 3.55Å; V204-I232 WeakPolarHBondContact O-CA 3.37Å; V204-L233 HydrophobicContact CG2-CB 3.88Å; V204-L233 PolarHBondContact N-O 3.48Å; V204-L233 PolarHBondContact O-N 2.85Å; V204-I235 HydrophobicContact CG1-CG1 4.1Å; V204-I235 HydrophobicContact CG2-CD1 3.82Å; V204-I235 HydrophobicContact CG2-CG1 4.05Å; V204-Y309 HydrophobicContact CB-CD1 4.45Å; V204-Y309 HydrophobicContact CG2-CD1 3.8Å; V204-Y309 HydrophobicContact CG2-CG 4.24Å; V204-E310 CarbonylContact C-O 3.22Å; V204-E310 WeakPolarHBondContact CA-O 3.36Å; V204-E311 HydrophobicContact CG1-CG 4.19Å
205	R	93	Very high	79.8	Confident	18 Å²	18	69.7 Å²	69.7	7%	0.068	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.9	167.3	-174.4	-177.7	-63	-167	1.4	108.4	L207 I232 Y309 E310 V312 D572 W600	R205-L207 HydrophobicContact CG-CD2 4.44Å; R205-L207 PolarHBondContact O-N 2.85Å; R205-I232 HydrophobicContact CB-CD1 3.72Å; R205-I232 HydrophobicContact CG-CD1 3.85Å; R205-Y309 WeakPolarHBondContact O-CA 3.38Å; R205-E310 HydrophobicContact CB-CB 4.41Å; R205-E310 PolarHBondContact N-O 3.46Å; R205-E310 PolarHBondContact O-N 3.31Å; R205-V312 HydrophobicContact CB-CG1 3.81Å; R205-D572 IonicContact CZ-OD1 2.68Å; R205-D572 IonicContact NH1-OD1 3.81Å; R205-D572 PolarHBondContact NH1-OD1 3.13Å; R205-D572 IonicContact NH2-OD1 2.68Å; R205-D572 PolarHBondContact NH2-OD1 2.96Å; R205-W600 PolarHBondContact NH2-O 3.48Å
206	A	92	Very high	81.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.3	175.2	0	0	0	0	0	110	F208 F227 G230 E231 L233 Y309	A206-F208 HydrophobicContact CB-CD1 4.48Å; A206-F208 PolarHBondContact O-N 2.89Å; A206-F227 HydrophobicContact CB-CD2 3.5Å; A206-F227 HydrophobicContact CB-CE2 3.62Å; A206-F227 HydrophobicContact CB-CG 4.47Å; A206-G230 PolarHBondContact O-N 3.5Å; A206-E231 PolarHBondContact N-O 3.29Å; A206-L233 HydrophobicContact CB-CD1 4.45Å; A206-Y309 HydrophobicContact CB-CE1 4.47Å
207	L	89.6	Confident	83.3	Confident	22 Å²	22	62 Å²	62	12%	0.115	36%	0.358	C	S	.	.	S	Bend	trans	-88.4	14.6	178	-53	179.7	0	0	0	112.5	R205 L307 S308 E310 H569	R205-L207 HydrophobicContact CG-CD2 4.44Å; R205-L207 PolarHBondContact O-N 2.85Å; L207-L307 HydrophobicContact CB-CB 3.83Å; L207-L307 HydrophobicContact CD1-CB 4.27Å; L207-L307 HydrophobicContact CD1-CD2 4.04Å; L207-S308 WeakPolarHBondContact CB-O 3.39Å; L207-S308 PolarHBondContact N-O 3.47Å; L207-E310 HydrophobicContact CD1-CB 4.2Å; L207-E310 HydrophobicContact CD2-CB 4.12Å; L207-E310 HydrophobicContact CG-CB 4.33Å; L207-H569 HydrophobicContact CD2-CB 4.1Å
208	F	88.5	Confident	84.9	Confident	29 Å²	29	59.9 Å²	59.9	13%	0.127	34%	0.339	C	S	.	.	S	Bend	trans	-158.4	166.6	-176.5	75.8	-57.6	0	0	0	111.2	A206 F227 L228 K229 P277 Y309	A206-F208 HydrophobicContact CB-CD1 4.48Å; A206-F208 PolarHBondContact O-N 2.89Å; F208-F227 AromaticContact CD1-CE2 3.67Å; F208-F227 HydrophobicContact CD1-CE2 3.67Å; F208-F227 HydrophobicContact CD1-CZ 4.19Å; F208-F227 HydrophobicContact CD2-CE2 4.41Å; F208-F227 AromaticContact CE1-CE2 3.47Å; F208-F227 HydrophobicContact CE1-CE2 3.47Å; F208-F227 VanDerWaalsContact CE1-CE2 3.47Å; F208-F227 AromaticContact CE1-CZ 3.51Å; F208-F227 HydrophobicContact CE1-CZ 3.51Å; F208-F227 HydrophobicContact CE2-CE2 4.17Å; F208-F227 HydrophobicContact CE2-CZ 4.03Å; F208-F227 HydrophobicContact CG-CE2 4.23Å; F208-F227 AromaticContact CZ-CE2 3.76Å; F208-F227 HydrophobicContact CZ-CE2 3.76Å; F208-F227 AromaticContact CZ-CZ 3.43Å; F208-F227 HydrophobicContact CZ-CZ 3.43Å; F208-F227 VanDerWaalsContact CZ-CZ 3.43Å; F208-F227 WeakPolarHBondContact O-CE2 3.21Å; F208-L228 CarbonylContact O-C 3.59Å; F208-K229 WeakPolarHBondContact O-CA 3.47Å; F208-K229 PolarHBondContact O-N 3.09Å; F208-P277 HydrophobicContact CZ-CG 4.21Å; F208-Y309 HydrophobicContact CE1-CD1 4.27Å; F208-Y309 AromaticContact CE1-CE1 3.65Å; F208-Y309 HydrophobicContact CE1-CE1 3.65Å; F208-Y309 HydrophobicContact CE1-CE2 4.18Å; F208-Y309 AromaticContact CE1-CZ 3.6Å; F208-Y309 HydrophobicContact CZ-CE1 4.35Å; F208-Y309 HydrophobicContact CZ-CE2 4.43Å; F208-Y309 AromaticContact CZ-CZ 3.89Å
209	S	89	Confident	86.5	Confident	71 Å²	71	54.9 Å²	54.9	50%	0.497	32%	0.323	S	S	.	.			trans	-97.7	145.2	170.2	-55.2	0	0	0	0	110.5	F227 K229	S209-F227 CarbonylContact C-O 3.51Å; S209-F227 WeakPolarHBondContact CA-O 3.5Å; S209-K229 PolarHBondContact OG-N 3.33Å
210	Y	91.6	Very high	87.8	Confident	19 Å²	19	48.3 Å²	48.3	8%	0.075	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-135.7	130.6	179.8	172.3	-116.1	0	0	0	110.4	P212 D215 L225 A226 F227 W243 P277	Y210-P212 HydrophobicContact CD1-CG 4.38Å; Y210-P212 HydrophobicContact CE1-CB 4.36Å; Y210-P212 HydrophobicContact CE1-CG 3.7Å; Y210-D215 HydrophobicContact CE2-CB 3.93Å; Y210-D215 VanDerWaalsContact CE2-OD2 3.25Å; Y210-D215 WeakPolarHBondContact CE2-OD2 3.35Å; Y210-D215 PolarHBondContact OH-OD2 2.9Å; Y210-L225 VanDerWaalsContact CD1-O 3.32Å; Y210-L225 WeakPolarHBondContact CD1-O 3.37Å; Y210-A226 WeakPolarHBondContact O-CA 3.4Å; Y210-F227 VanDerWaalsContact CB-CE1 3.5Å; Y210-F227 AromaticContact CD1-CD1 3.97Å; Y210-F227 HydrophobicContact CD1-CD1 3.97Å; Y210-F227 AromaticContact CD1-CE1 3.46Å; Y210-F227 HydrophobicContact CD1-CE1 3.46Å; Y210-F227 VanDerWaalsContact CD1-CE1 3.46Å; Y210-F227 HydrophobicContact CD1-CZ 4.03Å; Y210-F227 HydrophobicContact CG-CD1 4.48Å; Y210-F227 AromaticContact CG-CE1 3.83Å; Y210-F227 HydrophobicContact CG-CE1 3.83Å; Y210-F227 AromaticContact CG-CZ 3.91Å; Y210-F227 HydrophobicContact CG-CZ 3.91Å; Y210-F227 PolarHBondContact N-O 3.11Å; Y210-F227 PolarHBondContact O-N 3.35Å; Y210-W243 WeakPolarHBondContact OH-CZ3 3.47Å; Y210-P277 HydrophobicContact CD2-CG 4.17Å; Y210-P277 HydrophobicContact CE2-CG 4.18Å; Y210-P277 HydrophobicContact CG-CG 4.42Å
211	S	93.5	Very high	89.1	Confident	47 Å²	47	47.5 Å²	47.5	33%	0.329	29%	0.291	S	S	.	.			trans	-121.9	115.9	171.4	-176.4	0	0	0	0	110	S213 S214	S211-S213 PolarHBondContact O-N 2.77Å; S211-S213 PolarHBondContact OG-OG 2.77Å; S211-S214 WeakPolarHBondContact CB-OG 3.44Å; S211-S214 PolarHBondContact O-N 3.18Å; S211-S214 PolarHBondContact O-OG 2.76Å
212	P	92.2	Very high	89.5	Confident	7 Å²	7	50.8 Å²	50.8	5%	0.045	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.3	-32.7	176.6	-21.8	29.5	0	0	0	113.1	Y210 S214 D215 T218 G224 A226	Y210-P212 HydrophobicContact CD1-CG 4.38Å; Y210-P212 HydrophobicContact CE1-CB 4.36Å; Y210-P212 HydrophobicContact CE1-CG 3.7Å; P212-S214 PolarHBondContact O-N 3.34Å; P212-D215 PolarHBondContact O-N 3.24Å; P212-T218 WeakPolarHBondContact O-CG2 3.34Å; P212-G224 VanDerWaalsContact CG-C 3.49Å; P212-A226 HydrophobicContact CG-CB 4.39Å
213	S	91.1	Very high	89.4	Confident	105 Å²	105	49.9 Å²	49.9	73%	0.734	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-67.7	-23.6	-178.5	57.9	0	0	0	0	113.8	S211	S211-S213 PolarHBondContact O-N 2.77Å; S211-S213 PolarHBondContact OG-OG 2.77Å
214	S	90.2	Very high	89.3	Confident	97 Å²	97	48.4 Å²	48.4	68%	0.678	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-93.6	-5.7	177	54.3	0	0	0	0	113.5	S211 P212	S211-S214 WeakPolarHBondContact CB-OG 3.44Å; S211-S214 PolarHBondContact O-N 3.18Å; S211-S214 PolarHBondContact O-OG 2.76Å; P212-S214 PolarHBondContact O-N 3.34Å
215	D	88.3	Confident	89.3	Confident	20 Å²	20	49.6 Å²	49.6	11%	0.107	31%	0.307	C	S	.	.			trans	-99.8	103.6	-173.1	-172.8	-0.9	0	0	0	111.1	Y210 P212 L217 T218 W243 K285	Y210-D215 HydrophobicContact CE2-CB 3.93Å; Y210-D215 VanDerWaalsContact CE2-OD2 3.25Å; Y210-D215 WeakPolarHBondContact CE2-OD2 3.35Å; Y210-D215 PolarHBondContact OH-OD2 2.9Å; P212-D215 PolarHBondContact O-N 3.24Å; D215-L217 PolarHBondContact O-N 2.83Å; D215-L217 VanDerWaalsContact O-N 3.13Å; D215-L217 PolarHBondContact OD1-N 2.81Å; D215-L217 VanDerWaalsContact OD1-N 3.11Å; D215-T218 HydrophobicContact CB-CG2 4.37Å; D215-T218 WeakPolarHBondContact O-CG2 3.31Å; D215-T218 PolarHBondContact O-N 3.37Å; D215-W243 WeakPolarHBondContact OD2-CH2 3.28Å; D215-K285 IonicContact OD1-NZ 3.37Å; D215-K285 PolarHBondContact OD1-NZ 2.87Å; D215-K285 IonicContact OD2-NZ 3.94Å; D215-K285 PolarHBondContact OD2-NZ 3.02Å
216	S	87.7	Confident	89.3	Confident	119 Å²	119	51 Å²	51	83%	0.832	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.9	-179.9	57.6	0	0	0	0	114.2
217	L	87.8	Confident	89.4	Confident	78 Å²	78	51.2 Å²	51.2	41%	0.408	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.8	-177.2	-61.5	178.4	0	0	0	113.1	D215 W243 M281 W284 K285	D215-L217 PolarHBondContact O-N 2.83Å; D215-L217 VanDerWaalsContact O-N 3.13Å; D215-L217 PolarHBondContact OD1-N 2.81Å; D215-L217 VanDerWaalsContact OD1-N 3.11Å; L217-W243 HydrophobicContact CB-CZ2 4.3Å; L217-W243 WeakPolarHBondContact O-CZ2 3.29Å; L217-M281 HydrophobicContact CB-CE 3.8Å; L217-M281 HydrophobicContact CD1-CE 3.39Å; L217-M281 HydrophobicContact CG-CE 4.2Å; L217-W284 HydrophobicContact CD1-CZ3 3.68Å; L217-K285 HydrophobicContact CD1-CG 4.36Å
218	T	86.9	Confident	89.3	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	33%	0.334	C	S	.	.			trans	-65.4	127.6	178.5	-174.6	0	0	0	0	111.1	P212 D215 C220 P221 W243	P212-T218 WeakPolarHBondContact O-CG2 3.34Å; D215-T218 HydrophobicContact CB-CG2 4.37Å; D215-T218 WeakPolarHBondContact O-CG2 3.31Å; D215-T218 PolarHBondContact O-N 3.37Å; T218-C220 PolarHBondContact O-N 3.07Å; T218-P221 HydrophobicContact CG2-CB 4Å; T218-P221 HydrophobicContact CG2-CG 3.61Å; T218-W243 VanDerWaalsContact CA-CH2 3.42Å
219	P	85.4	Confident	89.2	Confident	82 Å²	82	55 Å²	55	53%	0.532	34%	0.342	S	S	.	.	S	Bend	trans	-62.3	-30.1	-176.6	-24.7	32	0	0	0	113.4	W243	P219-W243 HydrophobicContact CG-CD2 4.15Å; P219-W243 HydrophobicContact CG-CG 3.98Å
220	C	83.5	Confident	89	Confident	32 Å²	32	53.5 Å²	53.5	22%	0.216	34%	0.338	C	S	.	.			trans	-153.8	97.1	-179.1	178.7	0	0	0	0	108	T218 E222 A223 G224	T218-C220 PolarHBondContact O-N 3.07Å; C220-E222 PolarHBondContact O-N 2.82Å; C220-E222 PolarHBondContact SG-OE2 3.29Å; C220-A223 HydrophobicContact CB-CB 4.01Å; C220-A223 PolarHBondContact O-N 2.83Å; C220-G224 PolarHBondContact O-N 3.48Å
221	P	87.2	Confident	88.9	Confident	60 Å²	60	55.3 Å²	55.3	39%	0.39	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-53.3	-35	178.9	-23.3	29.2	0	0	0	113.1	T218 A223 G224	T218-P221 HydrophobicContact CG2-CB 4Å; T218-P221 HydrophobicContact CG2-CG 3.61Å; P221-A223 VanDerWaalsContact C-N 3.26Å; P221-A223 PolarHBondContact O-N 2.75Å; P221-G224 PolarHBondContact O-N 3.44Å; P221-G224 VanDerWaalsContact O-N 3.07Å
222	E	85.1	Confident	88.8	Confident	164 Å²	164	53.7 Å²	53.7	77%	0.766	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-68.8	-24.2	180	-54.7	79.7	-175.1	0	0	113	C220	C220-E222 PolarHBondContact O-N 2.82Å; C220-E222 PolarHBondContact SG-OE2 3.29Å
223	A	88.1	Confident	88.9	Confident	12 Å²	12	53.4 Å²	53.4	10%	0.099	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-92.5	-4.4	173.9	0	0	0	0	0	112.4	M139 C220 P221 G274 L275	M139-A223 HydrophobicContact CE-CB 4.32Å; C220-A223 HydrophobicContact CB-CB 4.01Å; C220-A223 PolarHBondContact O-N 2.83Å; P221-A223 VanDerWaalsContact C-N 3.26Å; P221-A223 PolarHBondContact O-N 2.75Å; A223-G274 CarbonylContact O-C 3.6Å; A223-G274 WeakPolarHBondContact O-CA 3.44Å; A223-L275 HydrophobicContact CB-CD1 4.02Å; A223-L275 HydrophobicContact CB-CG 4.36Å; A223-L275 PolarHBondContact O-N 2.81Å
224	G	91.5	Very high	89	Confident	20 Å²	20	52.5 Å²	52.5	21%	0.206	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-72.6	144.4	-178.4	0	0	0	0	0	113.2	P212 C220 P221 L275	P212-G224 VanDerWaalsContact CG-C 3.49Å; C220-G224 PolarHBondContact O-N 3.48Å; P221-G224 PolarHBondContact O-N 3.44Å; P221-G224 VanDerWaalsContact O-N 3.07Å; G224-L275 WeakPolarHBondContact CA-O 3.42Å
225	L	93.5	Very high	89.1	Confident	28 Å²	28	48.3 Å²	48.3	15%	0.147	28%	0.283	C	S	.	.			trans	-99.8	107.6	172.3	-177.1	67.6	0	0	0	109.6	Y210 F227 L233 A246 K248 L275 I276	Y210-L225 VanDerWaalsContact CD1-O 3.32Å; Y210-L225 WeakPolarHBondContact CD1-O 3.37Å; L225-F227 WeakPolarHBondContact O-CD1 3.28Å; L225-L233 HydrophobicContact CD2-CD2 4.25Å; L225-A246 HydrophobicContact CD2-CB 4.18Å; L225-A246 WeakPolarHBondContact CD2-O 3.28Å; L225-K248 HydrophobicContact CD1-CG 4.17Å; L225-K248 HydrophobicContact CD2-CG 4.2Å; L225-K248 HydrophobicContact CG-CG 4.44Å; L225-L275 PolarHBondContact N-O 3.37Å; L225-I276 HydrophobicContact CB-CG2 3.8Å; L225-I276 HydrophobicContact CD2-CG2 4.16Å; L225-I276 HydrophobicContact CG-CG2 4.39Å
226	A	93.9	Very high	89.2	Confident	48 Å²	48	48.2 Å²	48.2	40%	0.397	28%	0.283	S	S	.	.			trans	-71.8	139.1	171.4	0	0	0	0	0	110.7	Y210 P212 K248	Y210-A226 WeakPolarHBondContact O-CA 3.4Å; P212-A226 HydrophobicContact CG-CB 4.39Å; A226-K248 WeakPolarHBondContact O-CE 3.48Å; A226-K248 PolarHBondContact O-NZ 3.27Å
227	F	92.1	Very high	89.3	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.018	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-146.6	160	176	59	-99.6	0	0	0	112.7	A206 F208 S209 Y210 L225 E231 L233 I276 Y309	A206-F227 HydrophobicContact CB-CD2 3.5Å; A206-F227 HydrophobicContact CB-CE2 3.62Å; A206-F227 HydrophobicContact CB-CG 4.47Å; F208-F227 AromaticContact CD1-CE2 3.67Å; F208-F227 HydrophobicContact CD1-CE2 3.67Å; F208-F227 HydrophobicContact CD1-CZ 4.19Å; F208-F227 HydrophobicContact CD2-CE2 4.41Å; F208-F227 AromaticContact CE1-CE2 3.47Å; F208-F227 HydrophobicContact CE1-CE2 3.47Å; F208-F227 VanDerWaalsContact CE1-CE2 3.47Å; F208-F227 AromaticContact CE1-CZ 3.51Å; F208-F227 HydrophobicContact CE1-CZ 3.51Å; F208-F227 HydrophobicContact CE2-CE2 4.17Å; F208-F227 HydrophobicContact CE2-CZ 4.03Å; F208-F227 HydrophobicContact CG-CE2 4.23Å; F208-F227 AromaticContact CZ-CE2 3.76Å; F208-F227 HydrophobicContact CZ-CE2 3.76Å; F208-F227 AromaticContact CZ-CZ 3.43Å; F208-F227 HydrophobicContact CZ-CZ 3.43Å; F208-F227 VanDerWaalsContact CZ-CZ 3.43Å; F208-F227 WeakPolarHBondContact O-CE2 3.21Å; S209-F227 CarbonylContact C-O 3.51Å; S209-F227 WeakPolarHBondContact CA-O 3.5Å; Y210-F227 VanDerWaalsContact CB-CE1 3.5Å; Y210-F227 AromaticContact CD1-CD1 3.97Å; Y210-F227 HydrophobicContact CD1-CD1 3.97Å; Y210-F227 AromaticContact CD1-CE1 3.46Å; Y210-F227 HydrophobicContact CD1-CE1 3.46Å; Y210-F227 VanDerWaalsContact CD1-CE1 3.46Å; Y210-F227 HydrophobicContact CD1-CZ 4.03Å; Y210-F227 HydrophobicContact CG-CD1 4.48Å; Y210-F227 AromaticContact CG-CE1 3.83Å; Y210-F227 HydrophobicContact CG-CE1 3.83Å; Y210-F227 AromaticContact CG-CZ 3.91Å; Y210-F227 HydrophobicContact CG-CZ 3.91Å; Y210-F227 PolarHBondContact N-O 3.11Å; Y210-F227 PolarHBondContact O-N 3.35Å; L225-F227 WeakPolarHBondContact O-CD1 3.28Å; F227-E231 WeakPolarHBondContact CA-OE2 3.37Å; F227-E231 WeakPolarHBondContact CB-OE2 3.31Å; F227-L233 HydrophobicContact CB-CD1 4.48Å; F227-L233 HydrophobicContact CB-CD2 4.07Å; F227-L233 HydrophobicContact CD1-CD1 3.68Å; F227-L233 HydrophobicContact CD2-CD1 4.33Å; F227-L233 HydrophobicContact CE1-CD1 3.92Å; F227-L233 HydrophobicContact CG-CD1 3.91Å; F227-L233 HydrophobicContact CG-CD2 4.38Å; F227-L233 HydrophobicContact CZ-CD1 4.35Å; F227-I276 HydrophobicContact CD1-CG2 3.9Å; F227-I276 HydrophobicContact CE1-CB 3.94Å; F227-I276 HydrophobicContact CE1-CG2 3.59Å; F227-Y309 HydrophobicContact CE1-CE1 4.45Å; F227-Y309 HydrophobicContact CE2-CE1 4.28Å; F227-Y309 AromaticContact CZ-CE1 3.85Å; F227-Y309 HydrophobicContact CZ-CE1 3.85Å; F227-Y309 AromaticContact CZ-CZ 3.96Å; F227-Y309 VanDerWaalsContact CZ-OH 3.23Å; F227-Y309 WeakPolarHBondContact CZ-OH 3.36Å
228	L	89.2	Confident	89.4	Confident	66 Å²	66	43.3 Å²	43.3	35%	0.346	25%	0.252	S	S	.	.			trans	-104.8	153.5	177.5	-59.2	176	0	0	0	110.9	F208 G230 E231 L261	F208-L228 CarbonylContact O-C 3.59Å; L228-G230 PolarHBondContact O-N 3.15Å; L228-E231 HydrophobicContact CB-CG 4.12Å; L228-E231 PolarHBondContact N-OE2 3.33Å; L228-E231 WeakPolarHBondContact O-CB 3.47Å; L228-E231 PolarHBondContact O-N 3.23Å; L228-L261 HydrophobicContact CD1-CB 4Å; L228-L261 HydrophobicContact CD1-CD1 3.47Å; L228-L261 VanDerWaalsContact CD1-CD1 3.47Å; L228-L261 HydrophobicContact CD1-CG 4.37Å; L228-L261 HydrophobicContact CD2-CD1 3.68Å; L228-L261 HydrophobicContact CG-CD1 4.19Å
229	K	85.4	Confident	89.3	Confident	65 Å²	65	48.8 Å²	48.8	28%	0.283	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	128.9	168.9	-176.8	179.6	-179.5	-171.2	0	109.8	F208 S209 E564 V565 H569	F208-K229 WeakPolarHBondContact O-CA 3.47Å; F208-K229 PolarHBondContact O-N 3.09Å; S209-K229 PolarHBondContact OG-N 3.33Å; K229-E564 PolarHBondContact NZ-O 2.82Å; K229-V565 PolarHBondContact NZ-O 2.96Å; K229-H569 VanDerWaalsContact CE-CB 3.42Å
230	G	85	Confident	89.4	Confident	40 Å²	40	46.4 Å²	46.4	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-18.6	-177.5	0	0	0	0	0	114.8	A206 L228	A206-G230 PolarHBondContact O-N 3.5Å; L228-G230 PolarHBondContact O-N 3.15Å
231	E	89.8	Confident	89.5	Confident	57 Å²	57	48.4 Å²	48.4	27%	0.266	27%	0.272	S	S	.	.			trans	-65.6	144.5	179.2	-72.2	-173.4	141.2	0	0	111.9	A206 F227 L228 K248	A206-E231 PolarHBondContact N-O 3.29Å; F227-E231 WeakPolarHBondContact CA-OE2 3.37Å; F227-E231 WeakPolarHBondContact CB-OE2 3.31Å; L228-E231 HydrophobicContact CB-CG 4.12Å; L228-E231 PolarHBondContact N-OE2 3.33Å; L228-E231 WeakPolarHBondContact O-CB 3.47Å; L228-E231 PolarHBondContact O-N 3.23Å; E231-K248 VanDerWaalsContact CD-NZ 3.27Å; E231-K248 IonicContact OE1-NZ 3.36Å; E231-K248 PolarHBondContact OE1-NZ 3.23Å; E231-K248 WeakPolarHBondContact OE2-CE 3.43Å; E231-K248 IonicContact OE2-NZ 2.64Å; E231-K248 PolarHBondContact OE2-NZ 3.26Å
232	I	91.3	Very high	89.6	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	176.4	-53.2	-51.7	0	0	0	109.7	H203 V204 R205 V249 F251 V312 W600	H203-I232 HydrophobicContact CB-CG2 4.47Å; V204-I232 CarbonylContact O-C 3.55Å; V204-I232 WeakPolarHBondContact O-CA 3.37Å; R205-I232 HydrophobicContact CB-CD1 3.72Å; R205-I232 HydrophobicContact CG-CD1 3.85Å; I232-V249 HydrophobicContact CB-CB 4.44Å; I232-V249 HydrophobicContact CG2-CB 4.27Å; I232-V249 HydrophobicContact CG2-CG2 4.34Å; I232-V249 PolarHBondContact O-N 3.22Å; I232-F251 HydrophobicContact CB-CE2 4.21Å; I232-F251 HydrophobicContact CB-CZ 4.31Å; I232-F251 HydrophobicContact CG1-CE2 4.03Å; I232-F251 HydrophobicContact CG1-CZ 4.3Å; I232-V312 HydrophobicContact CD1-CG2 4.18Å; I232-V312 HydrophobicContact CG2-CG2 4.27Å; I232-W600 HydrophobicContact CD1-CB 4.36Å; I232-W600 HydrophobicContact CD1-CG 4.16Å; I232-W600 HydrophobicContact CG1-CD2 4.31Å; I232-W600 HydrophobicContact CG1-CG 4.02Å; I232-W600 HydrophobicContact CG2-CD2 4.12Å; I232-W600 HydrophobicContact CG2-CE3 4.39Å; I232-W600 HydrophobicContact CG2-CH2 4.23Å; I232-W600 HydrophobicContact CG2-CZ2 3.99Å; I232-W600 HydrophobicContact CG2-CZ3 4.44Å
233	L	93.4	Very high	90	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.8	179.2	-50.6	178.3	0	0	0	109.3	H203 V204 A206 L225 F227 A246 K248 I276 Y309	H203-L233 CarbonylContact C-O 3.46Å; H203-L233 WeakPolarHBondContact CA-O 3.37Å; V204-L233 HydrophobicContact CG2-CB 3.88Å; V204-L233 PolarHBondContact N-O 3.48Å; V204-L233 PolarHBondContact O-N 2.85Å; A206-L233 HydrophobicContact CB-CD1 4.45Å; L225-L233 HydrophobicContact CD2-CD2 4.25Å; F227-L233 HydrophobicContact CB-CD1 4.48Å; F227-L233 HydrophobicContact CB-CD2 4.07Å; F227-L233 HydrophobicContact CD1-CD1 3.68Å; F227-L233 HydrophobicContact CD2-CD1 4.33Å; F227-L233 HydrophobicContact CE1-CD1 3.92Å; F227-L233 HydrophobicContact CG-CD1 3.91Å; F227-L233 HydrophobicContact CG-CD2 4.38Å; F227-L233 HydrophobicContact CZ-CD1 4.35Å; L233-A246 HydrophobicContact CB-CB 4.39Å; L233-K248 HydrophobicContact CD2-CG 3.86Å; L233-I276 HydrophobicContact CD1-CD1 4.03Å; L233-Y309 HydrophobicContact CD1-CE1 3.94Å
234	R	93.4	Very high	90.2	Very high	87 Å²	87	42.6 Å²	42.6	33%	0.328	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113	168	-176.4	173.7	60.7	-152.3	-4.2	108.8	H203 V236 A246 V247 V249	H203-R234 WeakPolarHBondContact NE2-CD 3.49Å; R234-V236 HydrophobicContact CG-CG1 4.34Å; R234-V236 PolarHBondContact O-N 2.92Å; R234-A246 CarbonylContact O-C 3.45Å; R234-A246 WeakPolarHBondContact O-CA 3.48Å; R234-V247 PolarHBondContact N-O 3.13Å; R234-V247 PolarHBondContact O-N 3.01Å; R234-V249 HydrophobicContact CB-CG2 3.77Å
235	I	92.9	Very high	90.3	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.7	172.6	-50	-53.2	0	0	0	107.8	V202 V204 W244 A246 I276	V202-I235 PolarHBondContact N-O 2.91Å; V202-I235 PolarHBondContact O-N 3.44Å; V204-I235 HydrophobicContact CG1-CG1 4.1Å; V204-I235 HydrophobicContact CG2-CD1 3.82Å; V204-I235 HydrophobicContact CG2-CG1 4.05Å; I235-W244 HydrophobicContact CD1-CE3 4.04Å; I235-W244 HydrophobicContact CG1-CE3 4.44Å; I235-W244 HydrophobicContact CG2-CB 4.47Å; I235-A246 HydrophobicContact CD1-CB 3.85Å; I235-I276 HydrophobicContact CD1-CD1 3.61Å
236	V	90.6	Very high	90.3	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.109	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-27.1	-177.8	-65.4	0	0	0	0	112.7	H140 R234 Q245 V247 A273	H140-V236 HydrophobicContact CB-CB 4.46Å; H140-V236 HydrophobicContact CB-CG2 3.76Å; R234-V236 HydrophobicContact CG-CG1 4.34Å; R234-V236 PolarHBondContact O-N 2.92Å; V236-Q245 HydrophobicContact CG2-CB 3.88Å; V236-Q245 WeakPolarHBondContact CG2-O 3.34Å; V236-Q245 PolarHBondContact N-O 3.45Å; V236-V247 HydrophobicContact CG1-CG2 4.21Å; V236-A273 HydrophobicContact CG2-CB 3.69Å
237	N	88.9	Confident	90.2	Very high	35 Å²	35	38.5 Å²	38.5	19%	0.187	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	127.9	172.3	-178.4	-37.5	0	0	0	109.2	E239 W244 Q245	N237-E239 PolarHBondContact ND2-OE2 3.49Å; N237-E239 VanDerWaalsContact OD1-CB 3.28Å; N237-E239 WeakPolarHBondContact OD1-CB 3.48Å; N237-E239 WeakPolarHBondContact OD1-CG 3.29Å; N237-E239 PolarHBondContact OD1-N 2.8Å; N237-W244 WeakPolarHBondContact O-CA 3.36Å; N237-Q245 HydrophobicContact CB-CB 4.08Å; N237-Q245 HydrophobicContact CB-CG 4.27Å; N237-Q245 PolarHBondContact N-O 3.35Å; N237-Q245 PolarHBondContact O-N 2.91Å
238	S	89.8	Confident	90.2	Very high	58 Å²	58	41.4 Å²	41.4	41%	0.406	22%	0.217	S	C	.	.			trans	-123.2	19.4	177.6	59.5	0	0	0	0	113
239	E	85.5	Confident	90	Very high	126 Å²	126	39.9 Å²	39.9	59%	0.589	21%	0.211	S	C	*	.			trans	-65.8	-36.8	-177.7	-67.4	176.2	148.6	0	0	112.2	A197 N237 P241	A197-E239 HydrophobicContact CB-CG 4.41Å; A197-E239 WeakPolarHBondContact CB-OE1 3.46Å; N237-E239 PolarHBondContact ND2-OE2 3.49Å; N237-E239 VanDerWaalsContact OD1-CB 3.28Å; N237-E239 WeakPolarHBondContact OD1-CB 3.48Å; N237-E239 WeakPolarHBondContact OD1-CG 3.29Å; N237-E239 PolarHBondContact OD1-N 2.8Å; E239-P241 WeakPolarHBondContact O-CD 3.14Å
240	D	86.8	Confident	89.4	Confident	32 Å²	32	43 Å²	43	17%	0.171	23%	0.226	C	C	.	.	S	Bend	trans	-76.7	119.7	170.5	177	-12.6	0	0	0	109.2	R137 N242 W243 W244	R137-D240 IonicContact CZ-OD2 2.77Å; R137-D240 VanDerWaalsContact NH1-CB 3.32Å; R137-D240 IonicContact NH1-OD2 3.75Å; R137-D240 PolarHBondContact NH1-OD2 2.89Å; R137-D240 IonicContact NH2-OD2 3.56Å; R137-D240 PolarHBondContact NH2-OD2 3.13Å; D240-N242 PolarHBondContact O-N 3.45Å; D240-N242 WeakPolarHBondContact OD1-CA 3.42Å; D240-N242 WeakPolarHBondContact OD1-CB 3.33Å; D240-N242 PolarHBondContact OD1-N 3.05Å; D240-W243 WeakPolarHBondContact CB-O 3.22Å; D240-W243 PolarHBondContact OD1-N 3.39Å; D240-W244 VanDerWaalsContact O-CD1 3.25Å
241	P	87.1	Confident	88.1	Confident	74 Å²	74	44.7 Å²	44.7	48%	0.481	22%	0.222	S	C	.	.	S	Bend	trans	-67.1	-16.7	-177	30.2	-38	0	0	0	113.6	E239 S278 M280	E239-P241 WeakPolarHBondContact O-CD 3.14Å; P241-S278 WeakPolarHBondContact O-CB 3.42Å; P241-S278 PolarHBondContact O-OG 3.48Å; P241-M280 HydrophobicContact CB-CE 3.77Å; P241-M280 HydrophobicContact CG-CE 4.39Å
242	N	89.5	Confident	85.9	Confident	60 Å²	60	47.8 Å²	47.8	32%	0.321	25%	0.247	S	C	.	.	S	Bend	trans	-103.5	-35.8	-179.6	-62.8	-46.4	0	0	0	113.3	D240 S278 M280 M281	D240-N242 PolarHBondContact O-N 3.45Å; D240-N242 WeakPolarHBondContact OD1-CA 3.42Å; D240-N242 WeakPolarHBondContact OD1-CB 3.33Å; D240-N242 PolarHBondContact OD1-N 3.05Å; N242-S278 WeakPolarHBondContact CA-OG 3.27Å; N242-S278 PolarHBondContact O-N 3.36Å; N242-S278 PolarHBondContact O-OG 3.44Å; N242-M280 WeakPolarHBondContact OD1-CE 3.07Å; N242-M281 HydrophobicContact CB-SD 4.26Å; N242-M281 WeakPolarHBondContact O-CB 3.32Å
243	W	91.9	Very high	83.4	Confident	15 Å²	15	52.9 Å²	52.9	6%	0.057	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	101.7	-172.8	-61.4	97.5	0	0	0	112.5	R137 Y210 D215 L217 T218 P219 D240 L275 I276 P277 M281	R137-W243 PolarHBondContact NH1-O 2.93Å; R137-W243 VanDerWaalsContact NH1-O 3.11Å; Y210-W243 WeakPolarHBondContact OH-CZ3 3.47Å; D215-W243 WeakPolarHBondContact OD2-CH2 3.28Å; L217-W243 HydrophobicContact CB-CZ2 4.3Å; L217-W243 WeakPolarHBondContact O-CZ2 3.29Å; T218-W243 VanDerWaalsContact CA-CH2 3.42Å; P219-W243 HydrophobicContact CG-CD2 4.15Å; P219-W243 HydrophobicContact CG-CG 3.98Å; D240-W243 WeakPolarHBondContact CB-O 3.22Å; D240-W243 PolarHBondContact OD1-N 3.39Å; W243-L275 HydrophobicContact CB-CD2 4.28Å; W243-L275 HydrophobicContact CE3-CB 4.47Å; W243-I276 CarbonylContact C-O 3.58Å; W243-I276 WeakPolarHBondContact CA-O 3.35Å; W243-P277 HydrophobicContact CZ3-CB 4.21Å; W243-M281 HydrophobicContact CZ2-CE 4.37Å; W243-M281 HydrophobicContact CZ2-CG 4.43Å
244	W	93.7	Very high	80.5	Confident	39 Å²	39	57.1 Å²	57.1	15%	0.148	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	152.7	175.8	-61.9	-15.5	0	0	0	111.2	I235 N237 D240 L275 I276 S278 K279 Y309	I235-W244 HydrophobicContact CD1-CE3 4.04Å; I235-W244 HydrophobicContact CG1-CE3 4.44Å; I235-W244 HydrophobicContact CG2-CB 4.47Å; N237-W244 WeakPolarHBondContact O-CA 3.36Å; D240-W244 VanDerWaalsContact O-CD1 3.25Å; W244-L275 CarbonylContact O-C 3.51Å; W244-L275 WeakPolarHBondContact O-CA 3.43Å; W244-I276 HydrophobicContact CB-CD1 4.42Å; W244-I276 HydrophobicContact CB-CG1 3.87Å; W244-I276 HydrophobicContact CE3-CD1 4.49Å; W244-I276 PolarHBondContact N-O 2.86Å; W244-I276 PolarHBondContact O-N 3.25Å; W244-S278 VanDerWaalsContact CE2-CB 3.41Å; W244-S278 VanDerWaalsContact NE1-CB 3.34Å; W244-K279 HydrophobicContact CH2-CB 3.99Å; W244-K279 HydrophobicContact CH2-CD 3.98Å; W244-K279 HydrophobicContact CH2-CG 3.61Å; W244-K279 HydrophobicContact CZ2-CB 4.45Å; W244-K279 HydrophobicContact CZ3-CG 4.13Å; W244-Y309 HydrophobicContact CZ3-CD2 4.08Å; W244-Y309 HydrophobicContact CZ3-CE2 4.36Å
245	Q	93.2	Very high	77.4	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.2	167.8	-54.5	-168.6	32.8	0	0	109.2	V138 V236 N237 A273 G274 L275	V138-Q245 PolarHBondContact O-NE2 2.92Å; V236-Q245 HydrophobicContact CG2-CB 3.88Å; V236-Q245 WeakPolarHBondContact CG2-O 3.34Å; V236-Q245 PolarHBondContact N-O 3.45Å; N237-Q245 HydrophobicContact CB-CB 4.08Å; N237-Q245 HydrophobicContact CB-CG 4.27Å; N237-Q245 PolarHBondContact N-O 3.35Å; N237-Q245 PolarHBondContact O-N 2.91Å; Q245-A273 HydrophobicContact CB-CB 4.11Å; Q245-G274 WeakPolarHBondContact CA-O 3.47Å; Q245-L275 HydrophobicContact CG-CD2 4.02Å
246	A	93.8	Very high	74.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	162.2	-179.5	0	0	0	0	0	111.6	L225 L233 R234 I235 A273 G274 I276	L225-A246 HydrophobicContact CD2-CB 4.18Å; L225-A246 WeakPolarHBondContact CD2-O 3.28Å; L233-A246 HydrophobicContact CB-CB 4.39Å; R234-A246 CarbonylContact O-C 3.45Å; R234-A246 WeakPolarHBondContact O-CA 3.48Å; I235-A246 HydrophobicContact CD1-CB 3.85Å; A246-A273 CarbonylContact O-C 3.58Å; A246-A273 VanDerWaalsContact O-CA 3.26Å; A246-A273 WeakPolarHBondContact O-CA 3.32Å; A246-G274 PolarHBondContact N-O 2.92Å; A246-G274 PolarHBondContact O-N 3.37Å; A246-I276 HydrophobicContact CB-CD1 3.63Å; A246-I276 HydrophobicContact CB-CG1 4.12Å; A246-I276 HydrophobicContact CB-CG2 4.33Å
247	V	92	Very high	72.1	Confident	8 Å²	8	61.4 Å²	61.4	5%	0.048	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.6	172	-175.6	0	0	0	0	107.9	R234 V236 A273	R234-V247 PolarHBondContact N-O 3.13Å; R234-V247 PolarHBondContact O-N 3.01Å; V236-V247 HydrophobicContact CG1-CG2 4.21Å; V247-A273 HydrophobicContact CG2-CB 3.99Å
248	K	90.7	Very high	69.2	Low	65 Å²	65	65.5 Å²	65.5	28%	0.283	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.7	170	-73.4	-171.3	-177	-161.1	0	110.1	L225 A226 E231 L233 E250	L225-K248 HydrophobicContact CD1-CG 4.17Å; L225-K248 HydrophobicContact CD2-CG 4.2Å; L225-K248 HydrophobicContact CG-CG 4.44Å; A226-K248 WeakPolarHBondContact O-CE 3.48Å; A226-K248 PolarHBondContact O-NZ 3.27Å; E231-K248 VanDerWaalsContact CD-NZ 3.27Å; E231-K248 IonicContact OE1-NZ 3.36Å; E231-K248 PolarHBondContact OE1-NZ 3.23Å; E231-K248 WeakPolarHBondContact OE2-CE 3.43Å; E231-K248 IonicContact OE2-NZ 2.64Å; E231-K248 PolarHBondContact OE2-NZ 3.26Å; L233-K248 HydrophobicContact CD2-CG 3.86Å; K248-E250 PolarHBondContact O-N 2.98Å
249	V	86.2	Confident	66.4	Low	34 Å²	34	71.4 Å²	71.4	21%	0.206	39%	0.391	C	S	.	.			trans	-92.2	102.8	172.3	-175.2	0	0	0	0	107.6	I232 R234 F251 W600	I232-V249 HydrophobicContact CB-CB 4.44Å; I232-V249 HydrophobicContact CG2-CB 4.27Å; I232-V249 HydrophobicContact CG2-CG2 4.34Å; I232-V249 PolarHBondContact O-N 3.22Å; R234-V249 HydrophobicContact CB-CG2 3.77Å; V249-F251 HydrophobicContact CB-CZ 4.17Å; V249-F251 HydrophobicContact CG1-CE1 3.92Å; V249-F251 HydrophobicContact CG1-CE2 4.41Å; V249-F251 HydrophobicContact CG1-CZ 3.58Å; V249-F251 WeakPolarHBondContact O-CE2 3.16Å; V249-W600 HydrophobicContact CG1-CZ2 4.34Å
250	E	71.3	Confident	63.8	Low	130 Å²	130	70.7 Å²	70.7	61%	0.607	40%	0.395	S	S	*	.			trans	-77.4	131.3	169.1	-70.7	-173.2	-161.9	0	0	109.7	K248 L270	K248-E250 PolarHBondContact O-N 2.98Å; E250-L270 HydrophobicContact CB-CD2 4.2Å; E250-L270 VanDerWaalsContact CD-CD2 3.47Å; E250-L270 HydrophobicContact CG-CD2 4.08Å; E250-L270 WeakPolarHBondContact OE2-CD2 3.39Å
251	F	58.2	Low	61.1	Low	76 Å²	76	75.6 Å²	75.6	33%	0.333	42%	0.42	S	S	.	.			trans	-87.3	139.9	168	-62.1	-71.2	0	0	0	108.7	I232 V249 L253 W600	I232-F251 HydrophobicContact CB-CE2 4.21Å; I232-F251 HydrophobicContact CB-CZ 4.31Å; I232-F251 HydrophobicContact CG1-CE2 4.03Å; I232-F251 HydrophobicContact CG1-CZ 4.3Å; V249-F251 HydrophobicContact CB-CZ 4.17Å; V249-F251 HydrophobicContact CG1-CE1 3.92Å; V249-F251 HydrophobicContact CG1-CE2 4.41Å; V249-F251 HydrophobicContact CG1-CZ 3.58Å; V249-F251 WeakPolarHBondContact O-CE2 3.16Å; F251-L253 PolarHBondContact O-N 3.41Å; F251-W600 AromaticContact CE1-CE2 3.65Å; F251-W600 AromaticContact CE1-CZ2 3.7Å; F251-W600 HydrophobicContact CE1-CZ2 3.7Å; F251-W600 AromaticContact CE1-NE1 3.02Å; F251-W600 AromaticContact CE2-NE1 3.49Å; F251-W600 AromaticContact CZ-CD1 3.73Å; F251-W600 AromaticContact CZ-CE2 3.35Å; F251-W600 AromaticContact CZ-CZ2 3.55Å; F251-W600 HydrophobicContact CZ-CZ2 3.55Å; F251-W600 AromaticContact CZ-NE1 2.72Å
252	P	43	Very low	58.3	Low	122 Å²	122	75.1 Å²	75.1	79%	0.792	43%	0.429	S	S	*	.			trans	-63.8	90.7	159.5	26.4	-28.3	0	0	0	107.3	S254	P252-S254 VanDerWaalsContact C-N 3.31Å; P252-S254 PolarHBondContact O-N 2.93Å
253	L	39.9	Very low	55.2	Low	119 Å²	119	79.5 Å²	79.5	62%	0.623	45%	0.452	S	S	*	.			trans	-69.8	90.2	172.7	-75.2	165.9	0	0	0	107.9	F251 G255	F251-L253 PolarHBondContact O-N 3.41Å; L253-G255 VanDerWaalsContact C-N 3.33Å; L253-G255 PolarHBondContact O-N 3.43Å
254	S	31.6	Very low	52.1	Low	89 Å²	89	86 Å²	86	62%	0.622	49%	0.488	S	S	*	.			trans	-67.6	95.1	157.8	-70.3	0	0	0	0	108.2	P252	P252-S254 VanDerWaalsContact C-N 3.31Å; P252-S254 PolarHBondContact O-N 2.93Å
255	G	29.7	Very low	49	Very low	38 Å²	38	92.9 Å²	92.9	39%	0.392	53%	0.527	S	S	.	.	S	Bend	trans	74.8	126.6	161.9	0	0	0	0	0	117	L253	L253-G255 VanDerWaalsContact C-N 3.33Å; L253-G255 PolarHBondContact O-N 3.43Å
256	I	34.4	Very low	45.9	Very low	74 Å²	74	98.3 Å²	98.3	38%	0.379	56%	0.561	S	S	.	*	S	Bend	trans	71.9	101.2	158.7	-46.5	172.7	0	0	0	113.7	E589	I256-E589 WeakPolarHBondContact CD1-OE2 3.23Å
257	V	37	Very low	43.1	Very low	92 Å²	92	105.4 Å²	105.4	56%	0.558	59%	0.594	S	S	*	*			cis	-153.4	135.7	13.6	-179.6	0	0	0	0	107.7	F259	V257-F259 HydrophobicContact CG1-CB 3.94Å
258	P	28.5	Very low	40.2	Very low	122 Å²	122	111.5 Å²	111.5	79%	0.792	63%	0.634	S	S	*	*			trans	-100.4	103.2	158.5	31.5	-19.8	0	0	0	108.7
259	F	31	Very low	37.8	Very low	182 Å²	182	110.6 Å²	110.6	80%	0.798	64%	0.636	S	S	*	*			trans	-141.4	132.3	169	-158.6	-111.5	0	0	0	111.2	V257	V257-F259 HydrophobicContact CG1-CB 3.94Å
260	V	30.3	Very low	36.1	Very low	111 Å²	111	114.1 Å²	114.1	67%	0.673	65%	0.653	S	S	*	*	S	Bend	trans	80	74.9	178.1	-153.8	0	0	0	0	115.7
261	L	31.1	Very low	35.5	Very low	134 Å²	134	112.3 Å²	112.3	70%	0.702	65%	0.654	S	S	*	*				-169.5	128.7	115.5	-94.3	156.1	0	0	0	109.8	L228	L228-L261 HydrophobicContact CD1-CB 4Å; L228-L261 HydrophobicContact CD1-CD1 3.47Å; L228-L261 VanDerWaalsContact CD1-CD1 3.47Å; L228-L261 HydrophobicContact CD1-CG 4.37Å; L228-L261 HydrophobicContact CD2-CD1 3.68Å; L228-L261 HydrophobicContact CG-CD1 4.19Å
262	G	26.8	Very low	36.1	Very low	64 Å²	64	111.8 Å²	111.8	66%	0.66	65%	0.65	S	S	*	*			trans	-71.5	158.8	-163.6	0	0	0	0	0	116.2
263	N	24.4	Very low	38.3	Very low	152 Å²	152	106 Å²	106	81%	0.813	61%	0.613	S	S	*	*			trans	52.2	92.1	143.8	-57.7	-7.3	0	0	0	117.2
264	N	26.5	Very low	40.8	Very low	152 Å²	152	100.8 Å²	100.8	81%	0.813	59%	0.587	S	S	*	*				-174.4	61	129.9	-85.6	-24.4	0	0	0	110.3	T266	N264-T266 PolarHBondContact O-N 3.05Å
265	L	29.1	Very low	43.7	Very low	183 Å²	183	96.6 Å²	96.6	96%	0.958	56%	0.558	S	S	*	*			trans	-78.1	67.6	168.4	-84.2	157.4	0	0	0	109.9
266	T	28	Very low	46.8	Very low	117 Å²	117	94.8 Å²	94.8	72%	0.718	54%	0.539	S	S	*	.			trans	-150.4	47.1	168.6	50.8	0	0	0	0	111.7	N264	N264-T266 PolarHBondContact O-N 3.05Å
267	Q	35.9	Very low	49.6	Very low	149 Å²	149	91.4 Å²	91.4	70%	0.696	52%	0.522	S	S	*	.			trans	-143.4	111.9	164.4	-77.6	-133.3	22.4	0	0	114.1	S269	Q267-S269 PolarHBondContact O-N 3.39Å; Q267-S269 PolarHBondContact OE1-OG 2.96Å
268	P	29.8	Very low	52.1	Low	137 Å²	137	87.1 Å²	87.1	89%	0.89	50%	0.496	S	S	*	.			trans	-81.1	51.9	171.4	34.5	-33	0	0	0	111.6
269	S	41.7	Very low	55	Low	46 Å²	46	84.1 Å²	84.1	32%	0.322	47%	0.471	S	S	.	.			trans	-114.2	25.2	-174.6	63.3	0	0	0	0	114.3	Q267 S271 R272	Q267-S269 PolarHBondContact O-N 3.39Å; Q267-S269 PolarHBondContact OE1-OG 2.96Å; S269-S271 PolarHBondContact O-N 3.35Å; S269-R272 PolarHBondContact O-N 3.44Å
270	L	50.3	Low	57.5	Low	108 Å²	108	80 Å²	80	57%	0.565	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-8.3	-176.5	-98.9	112.7	0	0	0	117.1	E250	E250-L270 HydrophobicContact CB-CD2 4.2Å; E250-L270 VanDerWaalsContact CD-CD2 3.47Å; E250-L270 HydrophobicContact CG-CD2 4.08Å; E250-L270 WeakPolarHBondContact OE2-CD2 3.39Å
271	S	57.7	Low	60.2	Low	92 Å²	92	75.4 Å²	75.4	64%	0.643	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-5.4	177.2	55.6	0	0	0	0	114.5	S269	S269-S271 PolarHBondContact O-N 3.35Å
272	R	72.3	Confident	62.6	Low	64 Å²	64	70.4 Å²	70.4	24%	0.242	40%	0.399	C	S	.	.			trans	-89.5	127.6	-172.2	-172.7	-179.5	172.3	116.9	-4.9	111.3	P119 S269	P119-R272 PolarHBondContact O-NH1 2.98Å; S269-R272 PolarHBondContact O-N 3.44Å
273	A	88	Confident	65.2	Low	2 Å²	2	72.1 Å²	72.1	2%	0.017	39%	0.389	C	S	.	.			trans	-71.1	140.9	172.5	0	0	0	0	0	111.5	M139 H140 V236 Q245 A246 V247	M139-A273 WeakPolarHBondContact CE-O 3.22Å; H140-A273 HydrophobicContact CB-CB 3.85Å; H140-A273 VanDerWaalsContact O-CB 3.31Å; H140-A273 WeakPolarHBondContact O-CB 3.4Å; H140-A273 PolarHBondContact O-N 3.38Å; V236-A273 HydrophobicContact CG2-CB 3.69Å; Q245-A273 HydrophobicContact CB-CB 4.11Å; A246-A273 CarbonylContact O-C 3.58Å; A246-A273 VanDerWaalsContact O-CA 3.26Å; A246-A273 WeakPolarHBondContact O-CA 3.32Å; V247-A273 HydrophobicContact CG2-CB 3.99Å
274	G	91.8	Very high	67.8	Low	8 Å²	8	71 Å²	71	8%	0.082	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	166	169.5	0	0	0	0	0	111.6	A223 Q245 A246	A223-G274 CarbonylContact O-C 3.6Å; A223-G274 WeakPolarHBondContact O-CA 3.44Å; Q245-G274 WeakPolarHBondContact CA-O 3.47Å; A246-G274 PolarHBondContact N-O 2.92Å; A246-G274 PolarHBondContact O-N 3.37Å
275	L	93.3	Very high	70.1	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132	-177	-62.9	173.5	0	0	0	111.4	M139 A223 G224 L225 W243 W244 Q245	M139-L275 HydrophobicContact CE-CD2 4.36Å; M139-L275 HydrophobicContact CE-CG 4.17Å; M139-L275 HydrophobicContact SD-CD2 4.44Å; A223-L275 HydrophobicContact CB-CD1 4.02Å; A223-L275 HydrophobicContact CB-CG 4.36Å; A223-L275 PolarHBondContact O-N 2.81Å; G224-L275 WeakPolarHBondContact CA-O 3.42Å; L225-L275 PolarHBondContact N-O 3.37Å; W243-L275 HydrophobicContact CB-CD2 4.28Å; W243-L275 HydrophobicContact CE3-CB 4.47Å; W244-L275 CarbonylContact O-C 3.51Å; W244-L275 WeakPolarHBondContact O-CA 3.43Å; Q245-L275 HydrophobicContact CG-CD2 4.02Å
276	I	94.1	Very high	72.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.1	171.3	66.2	171.6	0	0	0	109.4	L225 F227 L233 I235 W243 W244 A246 Y309	L225-I276 HydrophobicContact CB-CG2 3.8Å; L225-I276 HydrophobicContact CD2-CG2 4.16Å; L225-I276 HydrophobicContact CG-CG2 4.39Å; F227-I276 HydrophobicContact CD1-CG2 3.9Å; F227-I276 HydrophobicContact CE1-CB 3.94Å; F227-I276 HydrophobicContact CE1-CG2 3.59Å; L233-I276 HydrophobicContact CD1-CD1 4.03Å; I235-I276 HydrophobicContact CD1-CD1 3.61Å; W243-I276 CarbonylContact C-O 3.58Å; W243-I276 WeakPolarHBondContact CA-O 3.35Å; W244-I276 HydrophobicContact CB-CD1 4.42Å; W244-I276 HydrophobicContact CB-CG1 3.87Å; W244-I276 HydrophobicContact CE3-CD1 4.49Å; W244-I276 PolarHBondContact N-O 2.86Å; W244-I276 PolarHBondContact O-N 3.25Å; A246-I276 HydrophobicContact CB-CD1 3.63Å; A246-I276 HydrophobicContact CB-CG1 4.12Å; A246-I276 HydrophobicContact CB-CG2 4.33Å; I276-Y309 HydrophobicContact CD1-CE1 4.2Å
277	P	93	Very high	74.1	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	140	172.7	27.2	-34.8	0	0	0	110.1	F208 Y210 W243 M281 Y309	F208-P277 HydrophobicContact CZ-CG 4.21Å; Y210-P277 HydrophobicContact CD2-CG 4.17Å; Y210-P277 HydrophobicContact CE2-CG 4.18Å; Y210-P277 HydrophobicContact CG-CG 4.42Å; W243-P277 HydrophobicContact CZ3-CB 4.21Å; P277-M281 HydrophobicContact CB-CB 4.19Å; P277-M281 HydrophobicContact CB-CG 4.12Å; P277-Y309 VanDerWaalsContact O-CE2 3.29Å; P277-Y309 WeakPolarHBondContact O-CE2 3.31Å; P277-Y309 PolarHBondContact O-OH 3.4Å; P277-Y309 VanDerWaalsContact O-OH 3.07Å
278	S	91.3	Very high	75.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.007	30%	0.297	C	S	.	.			trans	-70.1	169.1	171.5	71.3	0	0	0	0	111.8	P241 N242 W244 M280 M281 R282	P241-S278 WeakPolarHBondContact O-CB 3.42Å; P241-S278 PolarHBondContact O-OG 3.48Å; N242-S278 WeakPolarHBondContact CA-OG 3.27Å; N242-S278 PolarHBondContact O-N 3.36Å; N242-S278 PolarHBondContact O-OG 3.44Å; W244-S278 VanDerWaalsContact CE2-CB 3.41Å; W244-S278 VanDerWaalsContact NE1-CB 3.34Å; S278-M280 VanDerWaalsContact C-N 3.28Å; S278-M280 PolarHBondContact O-N 3.17Å; S278-M280 PolarHBondContact OG-N 2.92Å; S278-M281 PolarHBondContact O-N 3.26Å; S278-M281 WeakPolarHBondContact OG-CB 3.33Å; S278-M281 PolarHBondContact OG-N 3.41Å; S278-R282 WeakPolarHBondContact O-CB 3.27Å; S278-R282 PolarHBondContact O-N 3.26Å
279	K	88.1	Confident	77	Confident	59 Å²	59	58.6 Å²	58.6	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-52.9	-48.1	168.4	-75.5	179	-179.4	177.9	0	111.2	W244 M281 R282 E283 Y309 E311	W244-K279 HydrophobicContact CH2-CB 3.99Å; W244-K279 HydrophobicContact CH2-CD 3.98Å; W244-K279 HydrophobicContact CH2-CG 3.61Å; W244-K279 HydrophobicContact CZ2-CB 4.45Å; W244-K279 HydrophobicContact CZ3-CG 4.13Å; K279-M281 PolarHBondContact O-N 3.1Å; K279-R282 WeakPolarHBondContact O-CB 3.05Å; K279-R282 PolarHBondContact O-N 2.95Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 3.22Å; K279-Y309 WeakPolarHBondContact CE-O 3.46Å; K279-Y309 HydrophobicContact CG-CD2 4.02Å; K279-E311 IonicContact NZ-OE1 3.77Å
280	M	84.4	Confident	77.4	Confident	95 Å²	95	62 Å²	62	47%	0.468	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-45.7	179.3	-171.2	-176.7	79.7	0	0	112.8	P241 N242 S278 R282 E283 W284	P241-M280 HydrophobicContact CB-CE 3.77Å; P241-M280 HydrophobicContact CG-CE 4.39Å; N242-M280 WeakPolarHBondContact OD1-CE 3.07Å; S278-M280 VanDerWaalsContact C-N 3.28Å; S278-M280 PolarHBondContact O-N 3.17Å; S278-M280 PolarHBondContact OG-N 2.92Å; M280-R282 PolarHBondContact O-N 3.24Å; M280-E283 PolarHBondContact O-N 3.34Å; M280-W284 WeakPolarHBondContact O-CB 3.48Å; M280-W284 PolarHBondContact O-N 2.7Å
281	M	85.7	Confident	77.2	Confident	16 Å²	16	62.4 Å²	62.4	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-35.9	178.3	-174	65	-161	0	0	111.3	L217 N242 W243 P277 S278 K279 W284 K285	L217-M281 HydrophobicContact CB-CE 3.8Å; L217-M281 HydrophobicContact CD1-CE 3.39Å; L217-M281 HydrophobicContact CG-CE 4.2Å; N242-M281 HydrophobicContact CB-SD 4.26Å; N242-M281 WeakPolarHBondContact O-CB 3.32Å; W243-M281 HydrophobicContact CZ2-CE 4.37Å; W243-M281 HydrophobicContact CZ2-CG 4.43Å; P277-M281 HydrophobicContact CB-CB 4.19Å; P277-M281 HydrophobicContact CB-CG 4.12Å; S278-M281 PolarHBondContact O-N 3.26Å; S278-M281 WeakPolarHBondContact OG-CB 3.33Å; S278-M281 PolarHBondContact OG-N 3.41Å; K279-M281 PolarHBondContact O-N 3.1Å; M281-W284 HydrophobicContact CE-CE3 4.1Å; M281-W284 HydrophobicContact CE-CZ3 4.23Å; M281-K285 HydrophobicContact CE-CD 4.3Å; M281-K285 HydrophobicContact CE-CG 4.2Å; M281-K285 WeakPolarHBondContact O-CB 3.49Å; M281-K285 WeakPolarHBondContact O-CG 3.45Å; M281-K285 PolarHBondContact O-N 2.76Å
282	R	83.2	Confident	76.9	Confident	29 Å²	29	62.6 Å²	62.6	11%	0.109	29%	0.293	C	S	.	.	H	α-helix	trans	-72.1	-46.8	178.9	-171.3	164.3	-171.7	-146.3	-19.2	112.2	S278 K279 M280 W284 K285 M286 L307 S308	S278-R282 WeakPolarHBondContact O-CB 3.27Å; S278-R282 PolarHBondContact O-N 3.26Å; K279-R282 WeakPolarHBondContact O-CB 3.05Å; K279-R282 PolarHBondContact O-N 2.95Å; M280-R282 PolarHBondContact O-N 3.24Å; R282-W284 VanDerWaalsContact C-N 3.27Å; R282-W284 PolarHBondContact O-N 3.5Å; R282-K285 WeakPolarHBondContact O-CB 3.49Å; R282-K285 PolarHBondContact O-N 3.5Å; R282-M286 HydrophobicContact CG-CE 3.7Å; R282-M286 HydrophobicContact CG-SD 3.95Å; R282-M286 VanDerWaalsContact O-CG 3.3Å; R282-M286 WeakPolarHBondContact O-CG 3.25Å; R282-M286 PolarHBondContact O-N 3.48Å; R282-L307 PolarHBondContact NH1-O 3.17Å; R282-L307 PolarHBondContact NH2-O 3.45Å; R282-S308 PolarHBondContact NH1-O 3.01Å
283	E	80	Confident	75.8	Confident	99 Å²	99	65.9 Å²	65.9	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-56.7	-42.8	174.4	-72.6	164.9	-165	0	0	111.1	K279 M280 M286 Q287	K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 3.22Å; M280-E283 PolarHBondContact O-N 3.34Å; E283-M286 PolarHBondContact O-N 2.94Å; E283-Q287 WeakPolarHBondContact O-CG 3.4Å; E283-Q287 PolarHBondContact O-N 3.44Å
284	W	79.2	Confident	73.6	Confident	128 Å²	128	71.7 Å²	71.7	49%	0.485	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-44.9	176.2	-176.7	83.4	0	0	0	112.6	L217 M280 M281 R282 M286 Q287 Y288	L217-W284 HydrophobicContact CD1-CZ3 3.68Å; M280-W284 WeakPolarHBondContact O-CB 3.48Å; M280-W284 PolarHBondContact O-N 2.7Å; M281-W284 HydrophobicContact CE-CE3 4.1Å; M281-W284 HydrophobicContact CE-CZ3 4.23Å; R282-W284 VanDerWaalsContact C-N 3.27Å; R282-W284 PolarHBondContact O-N 3.5Å; W284-M286 VanDerWaalsContact C-N 3.27Å; W284-M286 PolarHBondContact O-N 3.11Å; W284-Q287 PolarHBondContact O-N 3.37Å; W284-Y288 HydrophobicContact CH2-CD2 4.46Å; W284-Y288 HydrophobicContact CZ2-CD2 4.3Å; W284-Y288 PolarHBondContact O-N 3.08Å
285	K	76.2	Confident	70.9	Confident	34 Å²	34	76.9 Å²	76.9	15%	0.148	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-40	175.3	-81	173.8	168.4	176.5	0	112	D215 L217 M281 R282 Y288 H289	D215-K285 IonicContact OD1-NZ 3.37Å; D215-K285 PolarHBondContact OD1-NZ 2.87Å; D215-K285 IonicContact OD2-NZ 3.94Å; D215-K285 PolarHBondContact OD2-NZ 3.02Å; L217-K285 HydrophobicContact CD1-CG 4.36Å; M281-K285 HydrophobicContact CE-CD 4.3Å; M281-K285 HydrophobicContact CE-CG 4.2Å; M281-K285 WeakPolarHBondContact O-CB 3.49Å; M281-K285 WeakPolarHBondContact O-CG 3.45Å; M281-K285 PolarHBondContact O-N 2.76Å; R282-K285 WeakPolarHBondContact O-CB 3.49Å; R282-K285 PolarHBondContact O-N 3.5Å; K285-Y288 PolarHBondContact O-N 2.98Å; K285-H289 PolarHBondContact O-N 2.91Å; K285-H289 PolarHBondContact O-ND1 3.34Å
286	M	71.4	Confident	68.3	Low	47 Å²	47	84.7 Å²	84.7	23%	0.232	41%	0.414	C	S	.	.	H	α-helix	trans	-64.7	-47.3	178.1	-71.2	156.6	163.7	0	0	111.2	R282 E283 W284 Y288 H289 F290 D305	R282-M286 HydrophobicContact CG-CE 3.7Å; R282-M286 HydrophobicContact CG-SD 3.95Å; R282-M286 VanDerWaalsContact O-CG 3.3Å; R282-M286 WeakPolarHBondContact O-CG 3.25Å; R282-M286 PolarHBondContact O-N 3.48Å; E283-M286 PolarHBondContact O-N 2.94Å; W284-M286 VanDerWaalsContact C-N 3.27Å; W284-M286 PolarHBondContact O-N 3.11Å; M286-Y288 VanDerWaalsContact C-N 3.33Å; M286-Y288 PolarHBondContact O-N 3.29Å; M286-H289 PolarHBondContact O-N 3.29Å; M286-F290 WeakPolarHBondContact O-CB 3.4Å; M286-F290 PolarHBondContact O-N 3.24Å; M286-D305 WeakPolarHBondContact CE-O 3.4Å
287	Q	69.5	Low	65.2	Low	127 Å²	127	89 Å²	89	59%	0.593	46%	0.458	S	S	*	.	H	α-helix	trans	-61.4	-39.6	177.3	-71.3	175.2	24.9	0	0	112.6	E283 W284 F290 N291	E283-Q287 WeakPolarHBondContact O-CG 3.4Å; E283-Q287 PolarHBondContact O-N 3.44Å; W284-Q287 PolarHBondContact O-N 3.37Å; Q287-F290 PolarHBondContact O-N 3.42Å; Q287-N291 PolarHBondContact O-N 2.85Å
288	Y	66.7	Low	62.4	Low	154 Å²	154	91.4 Å²	91.4	60%	0.604	48%	0.483	S	S	*	.	H	α-helix	trans	-67.8	-41.4	178.5	-165.4	-90.1	0	0	0	112.4	W284 K285 M286 S292	W284-Y288 HydrophobicContact CH2-CD2 4.46Å; W284-Y288 HydrophobicContact CZ2-CD2 4.3Å; W284-Y288 PolarHBondContact O-N 3.08Å; K285-Y288 PolarHBondContact O-N 2.98Å; M286-Y288 VanDerWaalsContact C-N 3.33Å; M286-Y288 PolarHBondContact O-N 3.29Å; Y288-S292 PolarHBondContact O-N 3.31Å
289	H	59.2	Low	59.9	Low	117 Å²	117	100 Å²	100	54%	0.542	52%	0.523	S	S	.	.	H	α-helix	trans	-69.2	-36.5	176.6	-76.5	74.4	0	0	0	112.1	K285 M286 N291 S292 L293	K285-H289 PolarHBondContact O-N 2.91Å; K285-H289 PolarHBondContact O-ND1 3.34Å; M286-H289 PolarHBondContact O-N 3.29Å; H289-N291 PolarHBondContact O-N 2.74Å; H289-S292 PolarHBondContact O-N 3.28Å; H289-S292 VanDerWaalsContact O-N 3.12Å; H289-L293 PolarHBondContact O-N 3.39Å
290	F	49.7	Very low	57.6	Low	117 Å²	117	104.6 Å²	104.6	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-45.1	176.5	-171.7	-99.4	0	0	0	111.7	M286 Q287 S292 L293 H294	M286-F290 WeakPolarHBondContact O-CB 3.4Å; M286-F290 PolarHBondContact O-N 3.24Å; Q287-F290 PolarHBondContact O-N 3.42Å; F290-S292 PolarHBondContact O-N 3.46Å; F290-L293 PolarHBondContact O-N 3.38Å; F290-H294 AromaticContact CD1-CE1 3.86Å; F290-H294 AromaticContact CD1-NE2 3.87Å; F290-H294 AromaticContact CE1-CE1 3.33Å; F290-H294 WeakPolarHBondContact CE1-CE1 3.41Å; F290-H294 AromaticContact CE1-NE2 3.71Å; F290-H294 AromaticContact CZ-CE1 3.8Å
291	N	47.2	Very low	55.5	Low	116 Å²	116	104.5 Å²	104.5	62%	0.62	56%	0.556	S	S	*	*	H	α-helix	trans	-66.2	-21	177.8	-71.8	-15.5	0	0	0	113.4	Q287 H289	Q287-N291 PolarHBondContact O-N 2.85Å; H289-N291 PolarHBondContact O-N 2.74Å
292	S	51.1	Low	53.2	Low	96 Å²	96	110.2 Å²	110.2	67%	0.671	58%	0.583	S	S	*	*	H	α-helix	trans	-87.9	-9.7	179.3	-167.2	0	0	0	0	114.2	Y288 H289 F290	Y288-S292 PolarHBondContact O-N 3.31Å; H289-S292 PolarHBondContact O-N 3.28Å; H289-S292 VanDerWaalsContact O-N 3.12Å; F290-S292 PolarHBondContact O-N 3.46Å
293	L	49.5	Very low	51.3	Low	134 Å²	134	115.5 Å²	115.5	70%	0.702	61%	0.611	S	S	*	*			trans	-117.1	19.1	-172	-79.4	161.5	0	0	0	114.2	H289 F290 T295	H289-L293 PolarHBondContact O-N 3.39Å; F290-L293 PolarHBondContact O-N 3.38Å; L293-T295 PolarHBondContact O-N 2.88Å
294	H	41.3	Very low	49.5	Very low	123 Å²	123	113.1 Å²	113.1	57%	0.569	60%	0.602	S	S	*	*			trans	-70.6	73	174.1	-73.1	-53.1	0	0	0	113.6	F290	F290-H294 AromaticContact CD1-CE1 3.86Å; F290-H294 AromaticContact CD1-NE2 3.87Å; F290-H294 AromaticContact CE1-CE1 3.33Å; F290-H294 WeakPolarHBondContact CE1-CE1 3.41Å; F290-H294 AromaticContact CE1-NE2 3.71Å; F290-H294 AromaticContact CZ-CE1 3.8Å
295	T	35.8	Very low	48	Very low	118 Å²	118	111.8 Å²	111.8	72%	0.724	60%	0.604	S	S	*	*	S	Bend	trans	-148.6	106.8	149.7	53.4	0	0	0	0	109.7	L293	L293-T295 PolarHBondContact O-N 2.88Å
296	N	37	Very low	47.2	Very low	165 Å²	165	114.8 Å²	114.8	88%	0.882	63%	0.63	S	S	*	*			trans	73.9	105.9	158.1	-57.6	-27.9	0	0	0	120.2
297	G	30.1	Very low	47.3	Very low	89 Å²	89	114 Å²	114	92%	0.918	63%	0.626	S	S	*	*				93.8	104	122	0	0	0	0	0	118.6
298	G	34.5	Very low	48	Very low	55 Å²	55	109 Å²	109	57%	0.567	61%	0.606	S	S	*	*			trans	149.1	108.4	159.3	0	0	0	0	0	112.7	D300 T301	G298-D300 VanDerWaalsContact C-N 3.26Å; G298-D300 PolarHBondContact O-N 2.9Å; G298-T301 PolarHBondContact O-OG1 3.49Å
299	Q	38.5	Very low	49.1	Very low	181 Å²	181	102.1 Å²	102.1	85%	0.846	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-74.5	-9.6	179.7	-80.8	174.4	-21.1	0	0	113.8
300	D	39.2	Very low	50.7	Low	157 Å²	157	98.5 Å²	98.5	84%	0.84	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-90.4	-5.2	-172	-68.2	-23.2	0	0	0	115.1	G298	G298-D300 VanDerWaalsContact C-N 3.26Å; G298-D300 PolarHBondContact O-N 2.9Å
301	T	39.9	Very low	52.7	Low	93 Å²	93	96.3 Å²	96.3	57%	0.571	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-89.9	-10.2	-175.7	38.3	0	0	0	0	114.9	G298 I303	G298-T301 PolarHBondContact O-OG1 3.49Å; T301-I303 VanDerWaalsContact C-N 3.33Å; T301-I303 PolarHBondContact O-N 3.33Å
302	Q	38.3	Very low	54.9	Low	136 Å²	136	91 Å²	91	64%	0.636	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.5	-170.7	-72.7	-174.5	3.3	0	0	115.1
303	I	43.7	Very low	56.8	Low	139 Å²	139	90.4 Å²	90.4	71%	0.713	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-32.3	-172.7	-58.3	175.8	0	0	0	112.2	T301	T301-I303 VanDerWaalsContact C-N 3.33Å; T301-I303 PolarHBondContact O-N 3.33Å
304	N	41.8	Very low	58.8	Low	50 Å²	50	89.5 Å²	89.5	27%	0.267	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-78.5	-22.7	-179.4	-77.8	-35.2	0	0	0	113.6	S306 L307 T566	N304-S306 VanDerWaalsContact C-N 3.29Å; N304-S306 PolarHBondContact O-N 3Å; N304-L307 HydrophobicContact CB-CD1 4.49Å; N304-T566 PolarHBondContact OD1-O 2.79Å
305	D	48.2	Very low	61.1	Low	100 Å²	100	84.9 Å²	84.9	54%	0.535	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-81.4	-2.9	-170.4	-83	-13.7	0	0	0	114.2	M286	M286-D305 WeakPolarHBondContact CE-O 3.4Å
306	S	59.2	Low	63.6	Low	97 Å²	97	85.7 Å²	85.7	68%	0.678	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-109.6	-5.3	175.7	-61.4	0	0	0	0	114.4	N304 S308	N304-S306 VanDerWaalsContact C-N 3.29Å; N304-S306 PolarHBondContact O-N 3Å; S306-S308 PolarHBondContact O-N 3.39Å
307	L	72.2	Confident	65.9	Low	29 Å²	29	79.4 Å²	79.4	15%	0.152	44%	0.438	C	S	.	.			trans	-65.7	121.5	-174.7	-64.8	172.6	0	0	0	109	L207 R282 N304	L207-L307 HydrophobicContact CB-CB 3.83Å; L207-L307 HydrophobicContact CD1-CB 4.27Å; L207-L307 HydrophobicContact CD1-CD2 4.04Å; R282-L307 PolarHBondContact NH1-O 3.17Å; R282-L307 PolarHBondContact NH2-O 3.45Å; N304-L307 HydrophobicContact CB-CD1 4.49Å
308	S	84.2	Confident	68.5	Low	24 Å²	24	80.8 Å²	80.8	17%	0.168	42%	0.421	C	S	.	.			trans	-110.4	-105	177.7	64.5	0	0	0	0	112.2	L207 R282 S306	L207-S308 WeakPolarHBondContact CB-O 3.39Å; L207-S308 PolarHBondContact N-O 3.47Å; R282-S308 PolarHBondContact NH1-O 3.01Å; S306-S308 PolarHBondContact O-N 3.39Å
309	Y	91.5	Very high	70.8	Confident	8 Å²	8	85.4 Å²	85.4	3%	0.031	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.5	175.2	-64.3	-75.7	0	0	0	108	V204 R205 A206 F208 F227 L233 W244 I276 P277 K279	V204-Y309 HydrophobicContact CB-CD1 4.45Å; V204-Y309 HydrophobicContact CG2-CD1 3.8Å; V204-Y309 HydrophobicContact CG2-CG 4.24Å; R205-Y309 WeakPolarHBondContact O-CA 3.38Å; A206-Y309 HydrophobicContact CB-CE1 4.47Å; F208-Y309 HydrophobicContact CE1-CD1 4.27Å; F208-Y309 AromaticContact CE1-CE1 3.65Å; F208-Y309 HydrophobicContact CE1-CE1 3.65Å; F208-Y309 HydrophobicContact CE1-CE2 4.18Å; F208-Y309 AromaticContact CE1-CZ 3.6Å; F208-Y309 HydrophobicContact CZ-CE1 4.35Å; F208-Y309 HydrophobicContact CZ-CE2 4.43Å; F208-Y309 AromaticContact CZ-CZ 3.89Å; F227-Y309 HydrophobicContact CE1-CE1 4.45Å; F227-Y309 HydrophobicContact CE2-CE1 4.28Å; F227-Y309 AromaticContact CZ-CE1 3.85Å; F227-Y309 HydrophobicContact CZ-CE1 3.85Å; F227-Y309 AromaticContact CZ-CZ 3.96Å; F227-Y309 VanDerWaalsContact CZ-OH 3.23Å; F227-Y309 WeakPolarHBondContact CZ-OH 3.36Å; L233-Y309 HydrophobicContact CD1-CE1 3.94Å; W244-Y309 HydrophobicContact CZ3-CD2 4.08Å; W244-Y309 HydrophobicContact CZ3-CE2 4.36Å; I276-Y309 HydrophobicContact CD1-CE1 4.2Å; P277-Y309 VanDerWaalsContact O-CE2 3.29Å; P277-Y309 WeakPolarHBondContact O-CE2 3.31Å; P277-Y309 PolarHBondContact O-OH 3.4Å; P277-Y309 VanDerWaalsContact O-OH 3.07Å; K279-Y309 WeakPolarHBondContact CE-O 3.46Å; K279-Y309 HydrophobicContact CG-CD2 4.02Å
310	E	91.2	Very high	72.8	Confident	41 Å²	41	78.3 Å²	78.3	19%	0.192	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.9	172.4	-178.7	175.5	-119.2	0	0	108.8	V204 R205 L207 V312 R430 P602	V204-E310 CarbonylContact C-O 3.22Å; V204-E310 WeakPolarHBondContact CA-O 3.36Å; R205-E310 HydrophobicContact CB-CB 4.41Å; R205-E310 PolarHBondContact N-O 3.46Å; R205-E310 PolarHBondContact O-N 3.31Å; L207-E310 HydrophobicContact CD1-CB 4.2Å; L207-E310 HydrophobicContact CD2-CB 4.12Å; L207-E310 HydrophobicContact CG-CB 4.33Å; E310-V312 HydrophobicContact CG-CG1 4.37Å; E310-V312 PolarHBondContact O-N 2.85Å; E310-R430 VanDerWaalsContact CD-NH2 3.33Å; E310-R430 IonicContact OE1-CZ 3.54Å; E310-R430 IonicContact OE1-NH2 3.39Å; E310-R430 PolarHBondContact OE1-NH2 3.13Å; E310-R430 IonicContact OE2-NH2 3.71Å; E310-R430 PolarHBondContact OE2-NH2 3.37Å; E310-R430 VanDerWaalsContact OE2-NH2 3.11Å; E310-P602 HydrophobicContact CG-CB 4.31Å; E310-P602 HydrophobicContact CG-CG 4.42Å; E310-P602 WeakPolarHBondContact OE1-CG 3.25Å
311	E	92.8	Very high	75.2	Confident	72 Å²	72	73.7 Å²	73.7	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.9	173.1	-73	-175.4	-149.7	0	0	109.7	V202 V204 K279 P602 R603	V202-E311 HydrophobicContact CG1-CG 3.83Å; V204-E311 HydrophobicContact CG1-CG 4.19Å; K279-E311 IonicContact NZ-OE1 3.77Å; E311-P602 CarbonylContact O-C 3.52Å; E311-P602 WeakPolarHBondContact O-CA 3.43Å; E311-R603 HydrophobicContact CB-CB 4.05Å; E311-R603 PolarHBondContact O-N 2.98Å; E311-R603 IonicContact OE2-NH1 2.6Å; E311-R603 PolarHBondContact OE2-NH1 2.84Å; E311-R603 VanDerWaalsContact OE2-NH1 3.09Å
312	V	92.8	Very high	77.7	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.024	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.4	-176.8	-66.4	0	0	0	0	111.7	H203 R205 I232 E310 W600 I601	H203-V312 HydrophobicContact CB-CG2 4.05Å; H203-V312 WeakPolarHBondContact CB-O 3.44Å; H203-V312 PolarHBondContact O-N 3.29Å; R205-V312 HydrophobicContact CB-CG1 3.81Å; I232-V312 HydrophobicContact CD1-CG2 4.18Å; I232-V312 HydrophobicContact CG2-CG2 4.27Å; E310-V312 HydrophobicContact CG-CG1 4.37Å; E310-V312 PolarHBondContact O-N 2.85Å; V312-W600 HydrophobicContact CB-CB 4.22Å; V312-W600 HydrophobicContact CB-CE3 3.9Å; V312-W600 HydrophobicContact CG2-CB 4.38Å; V312-W600 HydrophobicContact CG2-CD2 4.09Å; V312-W600 HydrophobicContact CG2-CE3 3.45Å; V312-W600 VanDerWaalsContact CG2-CE3 3.45Å; V312-W600 HydrophobicContact CG2-CG 4.48Å; V312-W600 HydrophobicContact CG2-CZ3 4.08Å; V312-I601 CarbonylContact C-O 3.48Å; V312-I601 WeakPolarHBondContact CA-O 3.39Å; V312-I601 WeakPolarHBondContact CB-O 3.3Å
313	E	91.3	Very high	80.4	Confident	84 Å²	84	65.9 Å²	65.9	39%	0.393	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.7	175.2	-172.2	152.6	-162	0	0	109.8	Y315 W600 I601 R603 L606	E313-Y315 PolarHBondContact O-N 3.19Å; E313-W600 WeakPolarHBondContact O-CA 3.48Å; E313-I601 PolarHBondContact N-O 3.34Å; E313-I601 PolarHBondContact O-N 3.28Å; E313-R603 HydrophobicContact CB-CB 4.46Å; E313-R603 HydrophobicContact CB-CG 4.4Å; E313-R603 IonicContact OE2-NE 3.73Å; E313-L606 HydrophobicContact CB-CD1 3.61Å; E313-L606 HydrophobicContact CG-CD1 3.6Å; E313-L606 WeakPolarHBondContact OE2-CD1 3.4Å
314	R	90.5	Very high	82.9	Confident	114 Å²	114	59.3 Å²	59.3	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.8	178.2	-66.8	-170.7	71.9	-175.3	3.3	108.9	F316 A598 F599 W600	R314-F316 HydrophobicContact CB-CE2 4.34Å; R314-A598 HydrophobicContact CB-CB 4.38Å; R314-A598 PolarHBondContact NH2-O 2.98Å; R314-F599 CarbonylContact C-O 3.57Å; R314-F599 WeakPolarHBondContact CA-O 3.49Å; R314-W600 HydrophobicContact CG-CD2 3.95Å; R314-W600 HydrophobicContact CG-CE3 3.9Å; R314-W600 HydrophobicContact CG-CH2 3.59Å; R314-W600 HydrophobicContact CG-CZ2 3.58Å; R314-W600 HydrophobicContact CG-CZ3 3.72Å
315	Y	90.1	Very high	85.6	Confident	26 Å²	26	57 Å²	57	10%	0.102	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.8	172.7	176.9	-99.5	0	0	0	109.9	E313 R323 K435 A598 F599 I601 L606	E313-Y315 PolarHBondContact O-N 3.19Å; Y315-R323 HydrophobicContact CE1-CG 4.12Å; Y315-K435 HydrophobicContact CD2-CD 4.35Å; Y315-K435 HydrophobicContact CE2-CD 3.98Å; Y315-A598 CarbonylContact O-C 3.56Å; Y315-A598 WeakPolarHBondContact O-CA 3.25Å; Y315-A598 WeakPolarHBondContact O-CB 3.35Å; Y315-F599 PolarHBondContact N-O 2.75Å; Y315-F599 PolarHBondContact O-N 3.49Å; Y315-F599 VanDerWaalsContact O-N 3.13Å; Y315-I601 VanDerWaalsContact CB-CD1 3.5Å; Y315-I601 HydrophobicContact CD2-CD1 3.83Å; Y315-I601 HydrophobicContact CG-CD1 3.79Å; Y315-L606 HydrophobicContact CD2-CD2 3.94Å
316	F	88.7	Confident	87.9	Confident	136 Å²	136	52.2 Å²	52.2	60%	0.596	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-91.9	128.4	172.8	-66.5	-96.8	0	0	0	108	R314 A598	R314-F316 HydrophobicContact CB-CE2 4.34Å; F316-A598 HydrophobicContact CD1-CB 3.53Å; F316-A598 HydrophobicContact CD2-CB 4.12Å; F316-A598 HydrophobicContact CE1-CB 3.52Å; F316-A598 HydrophobicContact CE2-CB 4.12Å; F316-A598 HydrophobicContact CG-CB 3.83Å; F316-A598 HydrophobicContact CZ-CB 3.82Å
317	P	84.3	Confident	89.8	Confident	33 Å²	33	47.6 Å²	47.6	21%	0.214	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-61	141.2	178.6	23.8	-31.4	0	0	0	110.9	E595 E597	P317-E595 WeakPolarHBondContact CB-O 3.32Å; P317-E595 WeakPolarHBondContact CG-O 3.47Å; P317-E597 WeakPolarHBondContact CD-O 3.29Å
318	E	85.6	Confident	91	Very high	117 Å²	117	46.3 Å²	46.3	55%	0.547	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-95.4	132.3	175.3	-67.5	-179.5	-171.5	0	0	108.8	G320 C321	E318-G320 PolarHBondContact O-N 3.28Å; E318-C321 HydrophobicContact CB-CB 4.07Å; E318-C321 PolarHBondContact O-N 3.39Å
319	E	82.8	Confident	91.5	Very high	153 Å²	153	45.8 Å²	45.8	72%	0.715	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	127.6	179.3	-68.7	-175.5	175.2	0	0	110.6	C321 P500	E319-C321 PolarHBondContact O-N 2.97Å; E319-P500 HydrophobicContact CB-CB 4.46Å; E319-P500 HydrophobicContact CB-CG 4.4Å; E319-P500 WeakPolarHBondContact OE2-CB 3.16Å
320	G	81.4	Confident	91.7	Very high	32 Å²	32	45.6 Å²	45.6	33%	0.33	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-1.4	-178.6	0	0	0	0	0	115.2	E318 G414	E318-G320 PolarHBondContact O-N 3.28Å; G320-G414 WeakPolarHBondContact O-CA 3.42Å
321	C	88.6	Confident	91.7	Very high	60 Å²	60	48 Å²	48	41%	0.405	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-119.8	78.6	174.5	-74.3	0	0	0	0	109.6	E318 E319	E318-C321 HydrophobicContact CB-CB 4.07Å; E318-C321 PolarHBondContact O-N 3.39Å; E319-C321 PolarHBondContact O-N 2.97Å
322	Y	92.9	Very high	91.5	Very high	51 Å²	51	46.4 Å²	46.4	20%	0.2	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-82.8	140.6	-174.4	-59	-60.5	0	0	0	112.9	H349 G414 V416 E595	Y322-H349 AromaticContact CE2-CE1 3.66Å; Y322-H349 AromaticContact CZ-CE1 3.82Å; Y322-G414 WeakPolarHBondContact CD2-O 3.29Å; Y322-G414 VanDerWaalsContact CE2-O 3.23Å; Y322-G414 WeakPolarHBondContact CE2-O 3.28Å; Y322-V416 HydrophobicContact CD2-CG2 4Å; Y322-V416 HydrophobicContact CG-CG2 3.85Å; Y322-E595 HydrophobicContact CD1-CB 4.3Å; Y322-E595 HydrophobicContact CD1-CG 3.62Å; Y322-E595 HydrophobicContact CE1-CB 4.06Å; Y322-E595 HydrophobicContact CE1-CG 3.71Å
323	R	94.5	Very high	91.5	Very high	13 Å²	13	46.4 Å²	46.4	5%	0.049	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-73.5	136.6	175.5	-66.7	170.5	61.2	-158.1	-1.7	109.6	Y315 K435 P436 I594	Y315-R323 HydrophobicContact CE1-CG 4.12Å; R323-K435 HydrophobicContact CG-CB 4.42Å; R323-K435 PolarHBondContact NE-O 3.21Å; R323-K435 PolarHBondContact NH2-O 3.24Å; R323-P436 PolarHBondContact NH2-O 3.4Å; R323-I594 HydrophobicContact CB-CG2 4.31Å
324	P	96.6	Very high	91.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-61.8	137.8	174	-23	34.3	0	0	0	112.2	V407 I411 A417 F419 L434 F437	P324-V407 HydrophobicContact CB-CG1 4.29Å; P324-V407 HydrophobicContact CG-CG1 3.76Å; P324-I411 HydrophobicContact CG-CD1 3.75Å; P324-I411 HydrophobicContact CG-CG1 4.4Å; P324-A417 CarbonylContact C-O 3.56Å; P324-A417 WeakPolarHBondContact CA-O 3.49Å; P324-A417 HydrophobicContact CB-CB 4.13Å; P324-A417 HydrophobicContact CG-CB 4.39Å; P324-F419 HydrophobicContact CB-CE1 3.9Å; P324-F419 HydrophobicContact CB-CZ 4.5Å; P324-L434 WeakPolarHBondContact CD-O 3.49Å; P324-L434 HydrophobicContact CG-CD2 4.31Å; P324-F437 PolarHBondContact O-N 2.78Å
325	I	97.7	Very high	91.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.4	172.6	-59.9	178.4	0	0	0	108.3	L327 F350 V416 A417 I418 F419 I439 A591 I594	I325-L327 HydrophobicContact CG2-CD2 4.21Å; I325-F350 HydrophobicContact CD1-CE1 4.49Å; I325-V416 HydrophobicContact CD1-CG1 3.81Å; I325-V416 HydrophobicContact CG1-CG1 3.89Å; I325-A417 PolarHBondContact N-O 3.06Å; I325-I418 HydrophobicContact CB-CB 4.39Å; I325-I418 HydrophobicContact CB-CD1 4.46Å; I325-I418 HydrophobicContact CB-CG1 4.19Å; I325-I418 HydrophobicContact CG2-CD1 4.21Å; I325-I418 HydrophobicContact CG2-CG1 4.28Å; I325-I418 WeakPolarHBondContact O-CA 3.49Å; I325-F419 PolarHBondContact O-N 3.43Å; I325-F419 VanDerWaalsContact O-N 3.13Å; I325-I439 HydrophobicContact CG2-CD1 3.72Å; I325-I439 HydrophobicContact CG2-CG1 4.4Å; I325-A591 HydrophobicContact CD1-CB 3.73Å; I325-I594 HydrophobicContact CD1-CD1 4.04Å; I325-I594 HydrophobicContact CG1-CD1 4.02Å
326	V	97.9	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117	-176.5	-175.7	0	0	0	0	109.9	V328 F419 A421 L429 P436 F437 I438 I439	V326-V328 HydrophobicContact CG1-CG2 4.22Å; V326-F419 WeakPolarHBondContact CA-O 3.05Å; V326-F419 HydrophobicContact CB-CE2 4.47Å; V326-F419 HydrophobicContact CG1-CD2 4.37Å; V326-F419 HydrophobicContact CG1-CE2 4.05Å; V326-F419 HydrophobicContact CG2-CD2 4.45Å; V326-F419 HydrophobicContact CG2-CE1 4.17Å; V326-F419 HydrophobicContact CG2-CE2 3.74Å; V326-F419 HydrophobicContact CG2-CZ 3.58Å; V326-A421 HydrophobicContact CG1-CB 3.5Å; V326-A421 VanDerWaalsContact CG1-CB 3.5Å; V326-L429 HydrophobicContact CG1-CD1 4.1Å; V326-P436 HydrophobicContact CG2-CB 3.78Å; V326-F437 PolarHBondContact N-O 3.21Å; V326-I438 HydrophobicContact CB-CG1 4.23Å; V326-I438 WeakPolarHBondContact O-CA 3.41Å; V326-I439 PolarHBondContact O-N 3.23Å
327	L	98.1	Very high	92.4	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.1	175.7	-58	-164.7	0	0	0	111.3	I325 K335 L338 I339 F419 E420 A421 I439 V441 L587	I325-L327 HydrophobicContact CG2-CD2 4.21Å; L327-K335 HydrophobicContact CB-CB 4.48Å; L327-K335 HydrophobicContact CB-CD 4.43Å; L327-K335 HydrophobicContact CD1-CB 4.44Å; L327-L338 HydrophobicContact CD1-CB 4.27Å; L327-I339 HydrophobicContact CD1-CD1 4.07Å; L327-I339 HydrophobicContact CD1-CG1 3.6Å; L327-I339 HydrophobicContact CG-CD1 4.33Å; L327-I339 HydrophobicContact CG-CG1 4.23Å; L327-F419 PolarHBondContact N-O 2.71Å; L327-E420 CarbonylContact O-C 3.59Å; L327-E420 VanDerWaalsContact O-CA 3.29Å; L327-E420 WeakPolarHBondContact O-CA 3.49Å; L327-A421 PolarHBondContact O-N 2.99Å; L327-I439 WeakPolarHBondContact CA-O 3.47Å; L327-I439 HydrophobicContact CD2-CB 3.69Å; L327-I439 HydrophobicContact CD2-CD1 4.12Å; L327-I439 HydrophobicContact CD2-CG1 4.34Å; L327-I439 HydrophobicContact CD2-CG2 4.07Å; L327-V441 HydrophobicContact CB-CG2 4.28Å; L327-V441 HydrophobicContact CD1-CG2 4.24Å; L327-V441 HydrophobicContact CD2-CG2 4.35Å; L327-L587 HydrophobicContact CD2-CD1 4.28Å
328	V	97	Very high	93	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.8	176.1	-177.4	0	0	0	0	109.7	V326 A421 L426 I438 I439 F440 V441	V326-V328 HydrophobicContact CG1-CG2 4.22Å; V328-A421 HydrophobicContact CG2-CB 4.34Å; V328-L426 HydrophobicContact CG1-CD1 4.24Å; V328-L426 HydrophobicContact CG2-CD1 4.1Å; V328-L426 HydrophobicContact CG2-CD2 3.55Å; V328-L426 HydrophobicContact CG2-CG 4.12Å; V328-I438 HydrophobicContact CG2-CG2 4.14Å; V328-I439 PolarHBondContact N-O 2.93Å; V328-F440 CarbonylContact O-C 3.55Å; V328-F440 VanDerWaalsContact O-CA 3.29Å; V328-F440 WeakPolarHBondContact O-CA 3.46Å; V328-F440 WeakPolarHBondContact O-CD2 3.37Å; V328-V441 PolarHBondContact O-N 3.43Å
329	G	95.9	Very high	93.6	Very high	13 Å²	13	29.9 Å²	29.9	13%	0.134	19%	0.19	C	C	.	.			trans	163.1	172.3	176.8	0	0	0	0	0	112.6	K335	G329-K335 PolarHBondContact O-NZ 3.33Å; G329-K335 VanDerWaalsContact O-NZ 3.08Å
330	P	95.2	Very high	94.2	Very high	4 Å²	4	27 Å²	27	3%	0.026	17%	0.172	C	C	.	.			trans	-52	156.1	179.6	-24.6	33	0	0	0	113.5	V333 K335 M556 T559 A560	P330-V333 WeakPolarHBondContact O-CG1 3.43Å; P330-K335 PolarHBondContact O-NZ 3.3Å; P330-K335 VanDerWaalsContact O-NZ 3.11Å; P330-M556 HydrophobicContact CB-CG 3.56Å; P330-M556 HydrophobicContact CG-CG 4.2Å; P330-M556 WeakPolarHBondContact CG-O 3.29Å; P330-T559 HydrophobicContact CB-CG2 4.34Å; P330-T559 HydrophobicContact CG-CG2 4.38Å; P330-A560 HydrophobicContact CG-CB 3.73Å
331	S	91.7	Very high	95	Very high	93 Å²	93	28.1 Å²	28.1	65%	0.65	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	141.6	172.1	-174.8	0	0	0	0	110.7	V333 M556	S331-V333 VanDerWaalsContact C-N 3.26Å; S331-V333 PolarHBondContact O-N 3.27Å; S331-M556 WeakPolarHBondContact O-CE 3.38Å
332	G	88.8	Confident	95.4	Very high	38 Å²	38	25.2 Å²	25.2	39%	0.392	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	4.8	177.4	0	0	0	0	0	115.9	G334 R453	G332-G334 PolarHBondContact O-N 3.45Å; G332-R453 PolarHBondContact O-NH2 2.93Å
333	V	93	Very high	95.6	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	15%	0.149	C	C	.	.	S	Bend	trans	-72.8	-9.5	177.3	75.9	0	0	0	0	113.4	P330 S331 K335 V441 P443 M556 N577	P330-V333 WeakPolarHBondContact O-CG1 3.43Å; S331-V333 VanDerWaalsContact C-N 3.26Å; S331-V333 PolarHBondContact O-N 3.27Å; V333-K335 HydrophobicContact CG1-CD 4.14Å; V333-K335 HydrophobicContact CG1-CG 3.54Å; V333-V441 HydrophobicContact CG1-CB 4.04Å; V333-V441 HydrophobicContact CG1-CG1 3.85Å; V333-V441 HydrophobicContact CG2-CG1 4.02Å; V333-P443 HydrophobicContact CG2-CB 4.13Å; V333-M556 HydrophobicContact CB-SD 4.12Å; V333-M556 HydrophobicContact CG2-SD 4.31Å; V333-N577 PolarHBondContact O-ND2 2.91Å
334	G	93.2	Very high	95.6	Very high	22 Å²	22	31.1 Å²	31.1	23%	0.227	17%	0.173	C	C	.	.	S	Bend	trans	101.4	16.1	175.7	0	0	0	0	0	115.9	G332 S336 E337 L338	G332-G334 PolarHBondContact O-N 3.45Å; G334-S336 PolarHBondContact O-N 3.05Å; G334-E337 WeakPolarHBondContact O-CB 3.31Å; G334-E337 PolarHBondContact O-N 3.19Å; G334-L338 WeakPolarHBondContact O-CG 3.4Å; G334-L338 PolarHBondContact O-N 3.16Å
335	K	96.1	Very high	95.5	Very high	19 Å²	19	35 Å²	35	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-53.3	-48.8	178.1	-54.6	-172	-56.6	-67.2	0	112.5	L327 G329 P330 V333 E337 L338 I339 E420 V441	L327-K335 HydrophobicContact CB-CB 4.48Å; L327-K335 HydrophobicContact CB-CD 4.43Å; L327-K335 HydrophobicContact CD1-CB 4.44Å; G329-K335 PolarHBondContact O-NZ 3.33Å; G329-K335 VanDerWaalsContact O-NZ 3.08Å; P330-K335 PolarHBondContact O-NZ 3.3Å; P330-K335 VanDerWaalsContact O-NZ 3.11Å; V333-K335 HydrophobicContact CG1-CD 4.14Å; V333-K335 HydrophobicContact CG1-CG 3.54Å; K335-E337 VanDerWaalsContact C-N 3.26Å; K335-E337 PolarHBondContact O-N 3.43Å; K335-L338 WeakPolarHBondContact O-CB 3.23Å; K335-L338 PolarHBondContact O-N 3.4Å; K335-L338 VanDerWaalsContact O-N 3.15Å; K335-I339 WeakPolarHBondContact O-CG1 3.25Å; K335-I339 PolarHBondContact O-N 3.01Å; K335-E420 VanDerWaalsContact C-OE1 3.26Å; K335-E420 VanDerWaalsContact CB-CD 3.46Å; K335-E420 HydrophobicContact CB-CG 3.91Å; K335-E420 WeakPolarHBondContact CB-OE1 3.32Å; K335-E420 WeakPolarHBondContact CE-OE2 3.33Å; K335-E420 IonicContact NZ-OE2 3.29Å; K335-V441 HydrophobicContact CG-CB 4.1Å; K335-V441 HydrophobicContact CG-CG2 4.09Å
336	S	94.9	Very high	95.4	Very high	66 Å²	66	38.2 Å²	38.2	46%	0.462	21%	0.214	S	C	.	.	H	α-helix	trans	-69.1	-30.5	-175.8	-30.8	0	0	0	0	111.9	G334 R340 E420	G334-S336 PolarHBondContact O-N 3.05Å; S336-R340 VanDerWaalsContact O-CB 3.28Å; S336-R340 WeakPolarHBondContact O-CB 3.47Å; S336-R340 PolarHBondContact O-N 3.43Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-NH2 2.73Å; S336-E420 WeakPolarHBondContact CA-OE1 3.44Å; S336-E420 WeakPolarHBondContact CB-OE1 3.48Å; S336-E420 PolarHBondContact N-OE1 3.14Å; S336-E420 PolarHBondContact OG-OE1 3Å
337	E	94.9	Very high	95.2	Very high	57 Å²	57	42.1 Å²	42.1	27%	0.266	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-47.1	174	-171.7	62.5	-139.9	0	0	110.7	G334 K335 I339 R340 Q341 L580	G334-E337 WeakPolarHBondContact O-CB 3.31Å; G334-E337 PolarHBondContact O-N 3.19Å; K335-E337 VanDerWaalsContact C-N 3.26Å; K335-E337 PolarHBondContact O-N 3.43Å; E337-I339 PolarHBondContact O-N 3Å; E337-R340 PolarHBondContact O-N 2.84Å; E337-R340 IonicContact OE1-NH1 3.31Å; E337-R340 PolarHBondContact OE1-NH1 2.88Å; E337-R340 VanDerWaalsContact OE1-NH1 3.11Å; E337-R340 IonicContact OE2-CZ 3.36Å; E337-R340 IonicContact OE2-NH1 3Å; E337-R340 PolarHBondContact OE2-NH1 3.49Å; E337-R340 IonicContact OE2-NH2 2.73Å; E337-R340 PolarHBondContact OE2-NH2 3.04Å; E337-Q341 HydrophobicContact CG-CG 4.3Å; E337-Q341 WeakPolarHBondContact O-CB 3.18Å; E337-Q341 WeakPolarHBondContact O-CG 3.18Å; E337-Q341 PolarHBondContact O-N 3.24Å; E337-Q341 WeakPolarHBondContact OE1-CG 3.47Å; E337-Q341 PolarHBondContact OE1-NE2 2.95Å; E337-L580 HydrophobicContact CB-CD1 4.22Å; E337-L580 HydrophobicContact CG-CD1 3.67Å; E337-L580 HydrophobicContact CG-CD2 3.43Å; E337-L580 VanDerWaalsContact CG-CD2 3.43Å; E337-L580 HydrophobicContact CG-CG 4.19Å
338	L	97	Very high	95	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-47.2	177.8	-72.3	167.3	0	0	0	111.9	L327 G334 K335 Q341 L342 V441 L575 L580 A583 L584 L587	L327-L338 HydrophobicContact CD1-CB 4.27Å; G334-L338 WeakPolarHBondContact O-CG 3.4Å; G334-L338 PolarHBondContact O-N 3.16Å; K335-L338 WeakPolarHBondContact O-CB 3.23Å; K335-L338 PolarHBondContact O-N 3.4Å; K335-L338 VanDerWaalsContact O-N 3.15Å; L338-Q341 PolarHBondContact O-N 3.42Å; L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 PolarHBondContact O-N 3.1Å; L338-V441 HydrophobicContact CD1-CG1 3.96Å; L338-V441 HydrophobicContact CD1-CG2 4.32Å; L338-L575 HydrophobicContact CD1-CD2 3.95Å; L338-L580 HydrophobicContact CD2-CD1 3.81Å; L338-L580 HydrophobicContact CG-CD1 4.14Å; L338-A583 HydrophobicContact CD2-CB 3.93Å; L338-L584 HydrophobicContact CD2-CB 4.41Å; L338-L587 HydrophobicContact CB-CD2 4Å
339	I	97.4	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-51.6	178.5	-66	178	0	0	0	110.6	L327 K335 E337 Q341 L342 I343 I418 E420	L327-I339 HydrophobicContact CD1-CD1 4.07Å; L327-I339 HydrophobicContact CD1-CG1 3.6Å; L327-I339 HydrophobicContact CG-CD1 4.33Å; L327-I339 HydrophobicContact CG-CG1 4.23Å; K335-I339 WeakPolarHBondContact O-CG1 3.25Å; K335-I339 PolarHBondContact O-N 3.01Å; E337-I339 PolarHBondContact O-N 3Å; I339-Q341 VanDerWaalsContact C-N 3.32Å; I339-Q341 PolarHBondContact O-N 2.86Å; I339-L342 PolarHBondContact O-N 3.14Å; I339-I343 HydrophobicContact CG2-CD1 3.75Å; I339-I343 HydrophobicContact CG2-CG1 4.48Å; I339-I343 WeakPolarHBondContact O-CG1 3.33Å; I339-I343 PolarHBondContact O-N 2.86Å; I339-I418 HydrophobicContact CD1-CG1 4.36Å; I339-I418 HydrophobicContact CG1-CD1 4.01Å; I339-I418 HydrophobicContact CG1-CG1 3.97Å; I339-I418 HydrophobicContact CG2-CG1 4.34Å; I339-I418 HydrophobicContact CG2-CG2 4.13Å; I339-E420 HydrophobicContact CD1-CB 4.48Å; I339-E420 HydrophobicContact CD1-CG 3.45Å; I339-E420 VanDerWaalsContact CD1-CG 3.45Å
340	R	96.6	Very high	94.9	Very high	92 Å²	92	51.7 Å²	51.7	35%	0.347	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-37.9	-177.5	-165.3	-175.2	-25.9	91.8	-2.4	112.5	S336 E337 R344	S336-R340 VanDerWaalsContact O-CB 3.28Å; S336-R340 WeakPolarHBondContact O-CB 3.47Å; S336-R340 PolarHBondContact O-N 3.43Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-NH2 2.73Å; E337-R340 PolarHBondContact O-N 2.84Å; E337-R340 IonicContact OE1-NH1 3.31Å; E337-R340 PolarHBondContact OE1-NH1 2.88Å; E337-R340 VanDerWaalsContact OE1-NH1 3.11Å; E337-R340 IonicContact OE2-CZ 3.36Å; E337-R340 IonicContact OE2-NH1 3Å; E337-R340 PolarHBondContact OE2-NH1 3.49Å; E337-R340 IonicContact OE2-NH2 2.73Å; E337-R340 PolarHBondContact OE2-NH2 3.04Å; R340-R344 VanDerWaalsContact CD-NH2 3.33Å; R340-R344 VanDerWaalsContact O-CG 3.24Å; R340-R344 WeakPolarHBondContact O-CG 3.43Å; R340-R344 PolarHBondContact O-N 2.91Å; R340-R344 VanDerWaalsContact O-N 3.12Å
341	Q	96.5	Very high	95	Very high	55 Å²	55	54.4 Å²	54.4	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-41.1	175.9	-67.8	-70.2	-6.9	0	0	111	E337 L338 I339 R344 T345 L584	E337-Q341 HydrophobicContact CG-CG 4.3Å; E337-Q341 WeakPolarHBondContact O-CB 3.18Å; E337-Q341 WeakPolarHBondContact O-CG 3.18Å; E337-Q341 PolarHBondContact O-N 3.24Å; E337-Q341 WeakPolarHBondContact OE1-CG 3.47Å; E337-Q341 PolarHBondContact OE1-NE2 2.95Å; L338-Q341 PolarHBondContact O-N 3.42Å; I339-Q341 VanDerWaalsContact C-N 3.32Å; I339-Q341 PolarHBondContact O-N 2.86Å; Q341-R344 WeakPolarHBondContact O-CB 3.46Å; Q341-R344 PolarHBondContact O-N 2.84Å; Q341-T345 WeakPolarHBondContact O-CG2 3.49Å; Q341-T345 PolarHBondContact O-N 2.77Å; Q341-T345 VanDerWaalsContact O-N 3.13Å; Q341-L584 HydrophobicContact CB-CD1 3.84Å; Q341-L584 HydrophobicContact CB-CD2 3.75Å; Q341-L584 HydrophobicContact CB-CG 4.42Å
342	L	96.8	Very high	95.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-46.6	176.2	-171.8	69.8	0	0	0	111.6	L338 I339 R344 T345 D346 F350 I418 L584 L587 S588	L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 PolarHBondContact O-N 3.1Å; I339-L342 PolarHBondContact O-N 3.14Å; L342-R344 VanDerWaalsContact C-N 3.26Å; L342-R344 PolarHBondContact O-N 3.45Å; L342-T345 WeakPolarHBondContact O-CB 3.49Å; L342-T345 PolarHBondContact O-N 3.02Å; L342-T345 PolarHBondContact O-OG1 3.42Å; L342-D346 PolarHBondContact O-N 3.43Å; L342-F350 HydrophobicContact CD1-CD2 4.38Å; L342-F350 HydrophobicContact CD1-CE2 3.95Å; L342-F350 HydrophobicContact CD1-CZ 4.15Å; L342-F350 HydrophobicContact CD2-CD1 3.85Å; L342-F350 HydrophobicContact CD2-CD2 4.34Å; L342-F350 HydrophobicContact CD2-CE1 3.84Å; L342-F350 HydrophobicContact CD2-CE2 4.31Å; L342-F350 HydrophobicContact CD2-CG 4.13Å; L342-F350 HydrophobicContact CD2-CZ 4.07Å; L342-F350 HydrophobicContact CG-CD1 4.28Å; L342-F350 HydrophobicContact CG-CD2 3.87Å; L342-F350 HydrophobicContact CG-CE1 4.33Å; L342-F350 HydrophobicContact CG-CE2 3.91Å; L342-F350 HydrophobicContact CG-CG 4.07Å; L342-F350 HydrophobicContact CG-CZ 4.15Å; L342-I418 HydrophobicContact CD2-CD1 3.46Å; L342-I418 VanDerWaalsContact CD2-CD1 3.46Å; L342-L584 HydrophobicContact CB-CD1 4.1Å; L342-L584 HydrophobicContact CD1-CD1 4.42Å; L342-L587 HydrophobicContact CD2-CD2 4.14Å; L342-L587 HydrophobicContact CD2-CG 4.18Å; L342-S588 WeakPolarHBondContact CD1-OG 3.39Å
343	I	97.1	Very high	95.5	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.195	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-36.8	175.9	-66.2	169.1	0	0	0	111.4	I339 T345 D346 P347 F350 E352 I418	I339-I343 HydrophobicContact CG2-CD1 3.75Å; I339-I343 HydrophobicContact CG2-CG1 4.48Å; I339-I343 WeakPolarHBondContact O-CG1 3.33Å; I339-I343 PolarHBondContact O-N 2.86Å; I343-T345 VanDerWaalsContact C-N 3.27Å; I343-T345 PolarHBondContact O-N 3.38Å; I343-D346 CarbonylContact O-C 3.56Å; I343-D346 PolarHBondContact O-N 2.81Å; I343-P347 WeakPolarHBondContact O-CA 3.47Å; I343-P347 WeakPolarHBondContact O-CB 3.38Å; I343-P347 WeakPolarHBondContact O-CD 3.45Å; I343-F350 HydrophobicContact CG1-CB 3.92Å; I343-E352 HydrophobicContact CD1-CB 3.8Å; I343-I418 HydrophobicContact CD1-CG2 4.16Å; I343-I418 HydrophobicContact CG1-CG2 4.13Å
344	R	96	Very high	95.6	Very high	149 Å²	149	52.6 Å²	52.6	56%	0.562	26%	0.262	S	S	*	.	H	α-helix	trans	-66.8	-27.3	175.3	-75	169.4	-178.6	156.7	-3.4	113.4	R340 Q341 L342	R340-R344 VanDerWaalsContact CD-NH2 3.33Å; R340-R344 VanDerWaalsContact O-CG 3.24Å; R340-R344 WeakPolarHBondContact O-CG 3.43Å; R340-R344 PolarHBondContact O-N 2.91Å; R340-R344 VanDerWaalsContact O-N 3.12Å; Q341-R344 WeakPolarHBondContact O-CB 3.46Å; Q341-R344 PolarHBondContact O-N 2.84Å; L342-R344 VanDerWaalsContact C-N 3.26Å; L342-R344 PolarHBondContact O-N 3.45Å
345	T	94.7	Very high	95.6	Very high	84 Å²	84	53.3 Å²	53.3	52%	0.515	26%	0.258	S	S	.	.	H	α-helix	trans	-71.4	-38.4	176.5	62.6	0	0	0	0	112	Q341 L342 I343	Q341-T345 WeakPolarHBondContact O-CG2 3.49Å; Q341-T345 PolarHBondContact O-N 2.77Å; Q341-T345 VanDerWaalsContact O-N 3.13Å; L342-T345 WeakPolarHBondContact O-CB 3.49Å; L342-T345 PolarHBondContact O-N 3.02Å; L342-T345 PolarHBondContact O-OG1 3.42Å; I343-T345 VanDerWaalsContact C-N 3.27Å; I343-T345 PolarHBondContact O-N 3.38Å
346	D	94	Very high	95.5	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	25%	0.254	S	S	.	.			trans	-147.9	85.7	177.7	-167	-17.1	0	0	0	111.3	L342 I343 E348 H349 F350	L342-D346 PolarHBondContact O-N 3.43Å; I343-D346 CarbonylContact O-C 3.56Å; I343-D346 PolarHBondContact O-N 2.81Å; D346-E348 VanDerWaalsContact C-N 3.27Å; D346-E348 PolarHBondContact O-N 2.95Å; D346-E348 PolarHBondContact OD1-N 2.78Å; D346-H349 HydrophobicContact CB-CB 4.07Å; D346-H349 PolarHBondContact O-N 3.18Å; D346-H349 WeakPolarHBondContact OD1-CB 3.41Å; D346-H349 PolarHBondContact OD1-N 2.77Å; D346-H349 VanDerWaalsContact OD1-N 3.09Å; D346-H349 VanDerWaalsContact OD2-CB 3.27Å; D346-H349 WeakPolarHBondContact OD2-CB 3.33Å; D346-F350 HydrophobicContact CB-CD2 3.97Å; D346-F350 HydrophobicContact CB-CE2 4.16Å; D346-F350 PolarHBondContact O-N 3.38Å
347	P	94.8	Very high	95.5	Very high	83 Å²	83	49.4 Å²	49.4	54%	0.539	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.7	-176	28.3	-33.2	0	0	0	113.4	I343	I343-P347 WeakPolarHBondContact O-CA 3.47Å; I343-P347 WeakPolarHBondContact O-CB 3.38Å; I343-P347 WeakPolarHBondContact O-CD 3.45Å
348	E	93.4	Very high	95.5	Very high	166 Å²	166	47.6 Å²	47.6	78%	0.776	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.7	173.5	-66.2	-170.8	169.2	0	0	111	D346 Q415	D346-E348 VanDerWaalsContact C-N 3.27Å; D346-E348 PolarHBondContact O-N 2.95Å; D346-E348 PolarHBondContact OD1-N 2.78Å; E348-Q415 PolarHBondContact O-NE2 2.8Å
349	H	94.8	Very high	95.3	Very high	33 Å²	33	50.5 Å²	50.5	15%	0.153	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-42.8	-178.1	-168.4	57.4	0	0	0	114	Y322 D346 Q415 V416 E595	Y322-H349 AromaticContact CE2-CE1 3.66Å; Y322-H349 AromaticContact CZ-CE1 3.82Å; D346-H349 HydrophobicContact CB-CB 4.07Å; D346-H349 PolarHBondContact O-N 3.18Å; D346-H349 WeakPolarHBondContact OD1-CB 3.41Å; D346-H349 PolarHBondContact OD1-N 2.77Å; D346-H349 VanDerWaalsContact OD1-N 3.09Å; D346-H349 VanDerWaalsContact OD2-CB 3.27Å; D346-H349 WeakPolarHBondContact OD2-CB 3.33Å; H349-Q415 WeakPolarHBondContact O-CA 3.4Å; H349-Q415 WeakPolarHBondContact O-CB 3.45Å; H349-V416 WeakPolarHBondContact NE2-CG2 3.39Å; H349-V416 PolarHBondContact O-N 2.95Å; H349-E595 IonicContact CD2-OE1 2.86Å; H349-E595 IonicContact CE1-OE1 2.55Å; H349-E595 IonicContact CE1-OE2 3.35Å; H349-E595 VanDerWaalsContact NE2-CD 3.33Å; H349-E595 IonicContact NE2-OE1 3.64Å; H349-E595 PolarHBondContact NE2-OE1 2.77Å; H349-E595 IonicContact NE2-OE2 2.6Å; H349-E595 PolarHBondContact NE2-OE2 2.95Å
350	F	96.9	Very high	95	Very high	15 Å²	15	58.6 Å²	58.6	7%	0.066	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.4	-178.1	-61.2	-73.5	0	0	0	112	I325 L342 I343 D346 V416 I418 A591	I325-F350 HydrophobicContact CD1-CE1 4.49Å; L342-F350 HydrophobicContact CD1-CD2 4.38Å; L342-F350 HydrophobicContact CD1-CE2 3.95Å; L342-F350 HydrophobicContact CD1-CZ 4.15Å; L342-F350 HydrophobicContact CD2-CD1 3.85Å; L342-F350 HydrophobicContact CD2-CD2 4.34Å; L342-F350 HydrophobicContact CD2-CE1 3.84Å; L342-F350 HydrophobicContact CD2-CE2 4.31Å; L342-F350 HydrophobicContact CD2-CG 4.13Å; L342-F350 HydrophobicContact CD2-CZ 4.07Å; L342-F350 HydrophobicContact CG-CD1 4.28Å; L342-F350 HydrophobicContact CG-CD2 3.87Å; L342-F350 HydrophobicContact CG-CE1 4.33Å; L342-F350 HydrophobicContact CG-CE2 3.91Å; L342-F350 HydrophobicContact CG-CG 4.07Å; L342-F350 HydrophobicContact CG-CZ 4.15Å; I343-F350 HydrophobicContact CG1-CB 3.92Å; D346-F350 HydrophobicContact CB-CD2 3.97Å; D346-F350 HydrophobicContact CB-CE2 4.16Å; D346-F350 PolarHBondContact O-N 3.38Å; F350-V416 HydrophobicContact CD1-CB 3.72Å; F350-V416 HydrophobicContact CD1-CG1 3.93Å; F350-V416 HydrophobicContact CD1-CG2 4.33Å; F350-V416 HydrophobicContact CE1-CB 3.98Å; F350-V416 HydrophobicContact CE1-CG1 4.04Å; F350-V416 HydrophobicContact CE1-CG2 4.16Å; F350-I418 HydrophobicContact CB-CG2 4.31Å; F350-A591 HydrophobicContact CE1-CB 3.88Å; F350-A591 HydrophobicContact CZ-CB 3.8Å
351	R	96.1	Very high	94.7	Very high	62 Å²	62	57.6 Å²	57.6	23%	0.234	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.6	177.8	-172.9	176.1	-79	-178.7	-3.7	111.6	I410 Q415 V416 A417 I418 T480	R351-I410 HydrophobicContact CB-CD1 4.14Å; R351-I410 HydrophobicContact CB-CG1 4.47Å; R351-I410 HydrophobicContact CB-CG2 3.96Å; R351-I410 HydrophobicContact CG-CD1 3.88Å; R351-I410 HydrophobicContact CG-CG1 4.23Å; R351-Q415 VanDerWaalsContact NE-OE1 3.15Å; R351-V416 PolarHBondContact N-O 3.04Å; R351-A417 WeakPolarHBondContact O-CA 3.42Å; R351-I418 PolarHBondContact O-N 3.07Å; R351-T480 PolarHBondContact NH2-OG1 3.46Å
352	E	96.5	Very high	94.5	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-91.8	127.3	171.3	-174.8	165.6	-157.6	0	0	109.7	I343 I418	I343-E352 HydrophobicContact CD1-CB 3.8Å; E352-I418 WeakPolarHBondContact CA-O 3.49Å
353	P	95.8	Very high	94.1	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.032	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-73.3	144.3	177.3	32.8	-37.6	0	0	0	111.5	L402 A406 V407 I410 F419	P353-L402 HydrophobicContact CB-CD1 3.62Å; P353-L402 HydrophobicContact CG-CD1 3.56Å; P353-L402 HydrophobicContact CG-CD2 3.92Å; P353-L402 HydrophobicContact CG-CG 4.39Å; P353-A406 HydrophobicContact CB-CB 4.27Å; P353-V407 HydrophobicContact CB-CG2 4.25Å; P353-V407 HydrophobicContact CG-CG2 4.09Å; P353-I410 HydrophobicContact CB-CD1 3.66Å; P353-I410 HydrophobicContact CG-CD1 4.35Å; P353-F419 HydrophobicContact CG-CB 4.1Å; P353-F419 HydrophobicContact CG-CD1 3.89Å; P353-F419 HydrophobicContact CG-CG 4.22Å
354	I	93.6	Very high	93.8	Very high	8 Å²	8	73.2 Å²	73.2	4%	0.041	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-73.2	133.4	-179.8	-53.5	170.6	0	0	0	110	G368 H481 S482 V483	I354-G368 WeakPolarHBondContact CD1-O 3.29Å; I354-H481 HydrophobicContact CD1-CB 3.4Å; I354-H481 VanDerWaalsContact CD1-CB 3.4Å; I354-H481 HydrophobicContact CG1-CB 4.25Å; I354-S482 WeakPolarHBondContact CD1-O 3.41Å; I354-V483 HydrophobicContact CD1-CG2 4.49Å
355	R	94.7	Very high	93.6	Very high	38 Å²	38	67.9 Å²	67.9	14%	0.143	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	148.1	175.6	-70.9	177.6	169.4	-90	2.3	111.7	Y371 L372 D390 G401 L402 E420	R355-Y371 HydrophobicContact CB-CD1 3.85Å; R355-Y371 HydrophobicContact CB-CE1 3.96Å; R355-Y371 WeakPolarHBondContact O-CA 3.43Å; R355-L372 PolarHBondContact O-N 3.41Å; R355-D390 IonicContact CZ-OD2 3.09Å; R355-D390 IonicContact NH1-OD2 3.77Å; R355-D390 PolarHBondContact NH1-OD2 3.31Å; R355-D390 IonicContact NH2-OD2 3.61Å; R355-D390 PolarHBondContact NH2-OD2 3.41Å; R355-G401 CarbonylContact C-O 3.58Å; R355-G401 WeakPolarHBondContact CA-O 3.09Å; R355-G401 WeakPolarHBondContact CB-O 3.49Å; R355-L402 HydrophobicContact CG-CB 4.46Å; R355-L402 HydrophobicContact CG-CD1 4.4Å; R355-E420 PolarHBondContact NH2-O 3.03Å
356	I	94	Very high	93.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	140	166.6	-55.8	-161.5	0	0	0	108.8	L372 V374 F379 F382 L388 T400 G401 C403	I356-L372 WeakPolarHBondContact CA-O 3.3Å; I356-L372 HydrophobicContact CD1-CD2 3.68Å; I356-L372 HydrophobicContact CG1-CB 4.11Å; I356-L372 HydrophobicContact CG1-CD2 3.83Å; I356-V374 HydrophobicContact CG2-CB 4.15Å; I356-V374 HydrophobicContact CG2-CG1 3.79Å; I356-V374 HydrophobicContact CG2-CG2 3.23Å; I356-F379 HydrophobicContact CB-CE2 4.48Å; I356-F379 HydrophobicContact CG2-CD2 3.79Å; I356-F379 HydrophobicContact CG2-CE2 4.19Å; I356-F382 HydrophobicContact CD1-CD1 4.07Å; I356-F382 HydrophobicContact CD1-CD2 3.88Å; I356-F382 HydrophobicContact CD1-CE1 3.96Å; I356-F382 HydrophobicContact CD1-CE2 3.79Å; I356-F382 HydrophobicContact CD1-CG 4.05Å; I356-F382 HydrophobicContact CD1-CZ 3.84Å; I356-L388 HydrophobicContact CD1-CD2 4.25Å; I356-T400 CarbonylContact O-C 3.57Å; I356-T400 VanDerWaalsContact O-CA 3.26Å; I356-T400 WeakPolarHBondContact O-CA 3.2Å; I356-G401 PolarHBondContact N-O 3.31Å; I356-G401 PolarHBondContact O-N 3.45Å; I356-C403 WeakPolarHBondContact CD1-SG 3.31Å
357	T	94.4	Very high	93.4	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.9	175.8	-171.9	0	0	0	0	112.3	Q359 Y371 L372 F373 V374 M399	T357-Q359 VanDerWaalsContact C-N 3.34Å; T357-Q359 HydrophobicContact CG2-CB 4.33Å; T357-Q359 WeakPolarHBondContact OG1-CB 3.14Å; T357-Q359 PolarHBondContact OG1-N 3.04Å; T357-Q359 VanDerWaalsContact OG1-N 3.15Å; T357-Y371 HydrophobicContact CG2-CD1 3.89Å; T357-Y371 HydrophobicContact CG2-CG 3.73Å; T357-L372 PolarHBondContact N-O 2.9Å; T357-F373 HydrophobicContact CG2-CD1 3.31Å; T357-F373 HydrophobicContact CG2-CE1 3.62Å; T357-F373 HydrophobicContact CG2-CG 4.14Å; T357-F373 WeakPolarHBondContact O-CA 3.49Å; T357-V374 PolarHBondContact O-N 3.4Å; T357-M399 CarbonylContact C-O 3.57Å; T357-M399 WeakPolarHBondContact CA-O 3.01Å
358	T	94.4	Very high	93.1	Very high	19 Å²	19	66.1 Å²	66.1	12%	0.117	33%	0.332	C	S	.	.			trans	-92.2	4.5	169.5	75.6	0	0	0	0	112.8	V374 K376 F379 C398 M399	T358-V374 WeakPolarHBondContact CA-O 3.33Å; T358-K376 HydrophobicContact CG2-CG 4.21Å; T358-F379 HydrophobicContact CG2-CB 3.6Å; T358-F379 HydrophobicContact CG2-CD2 3.85Å; T358-F379 HydrophobicContact CG2-CG 3.75Å; T358-C398 WeakPolarHBondContact OG1-CA 3.32Å; T358-M399 HydrophobicContact CG2-CB 3.97Å; T358-M399 PolarHBondContact N-O 2.98Å; T358-M399 PolarHBondContact OG1-N 3.33Å
359	Q	92.2	Very high	92.8	Very high	62 Å²	62	61 Å²	61	29%	0.29	31%	0.313	S	S	.	.	S	Bend	trans	-70.2	145.9	176.3	-163.9	-159.1	-60.7	0	0	109.5	T357 F373 C398	T357-Q359 VanDerWaalsContact C-N 3.34Å; T357-Q359 HydrophobicContact CG2-CB 4.33Å; T357-Q359 WeakPolarHBondContact OG1-CB 3.14Å; T357-Q359 PolarHBondContact OG1-N 3.04Å; T357-Q359 VanDerWaalsContact OG1-N 3.15Å; Q359-F373 VanDerWaalsContact O-CD1 3.28Å; Q359-F373 WeakPolarHBondContact O-CD1 3.32Å; Q359-C398 HydrophobicContact CB-CB 4.36Å
360	E	91.3	Very high	92.6	Very high	169 Å²	169	63 Å²	63	79%	0.79	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-65.9	137.6	166	-66.8	-178.9	175.3	0	0	110.2	K362	E360-K362 PolarHBondContact O-N 3.44Å
361	P	91.5	Very high	92.4	Very high	72 Å²	72	66 Å²	66	47%	0.468	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-57.1	133.9	176.1	-16.5	23.7	0	0	0	111.3	F373	P361-F373 HydrophobicContact CB-CD1 4.16Å; P361-F373 HydrophobicContact CB-CD2 4.17Å; P361-F373 HydrophobicContact CB-CE1 3.95Å; P361-F373 HydrophobicContact CB-CE2 3.97Å; P361-F373 HydrophobicContact CB-CG 4.27Å; P361-F373 HydrophobicContact CB-CZ 3.86Å; P361-F373 HydrophobicContact CG-CB 4.11Å; P361-F373 HydrophobicContact CG-CD1 3.77Å; P361-F373 HydrophobicContact CG-CD2 3.82Å; P361-F373 HydrophobicContact CG-CE1 4.09Å; P361-F373 HydrophobicContact CG-CE2 4.14Å; P361-F373 HydrophobicContact CG-CG 3.63Å; P361-F373 HydrophobicContact CG-CZ 4.27Å
362	K	91.4	Very high	92.3	Very high	117 Å²	117	63.7 Å²	63.7	51%	0.509	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-72.3	163.7	167.9	-57.1	-170.5	-160.3	93.9	0	110.1	E360 E364 E365	E360-K362 PolarHBondContact O-N 3.44Å; K362-E364 PolarHBondContact O-N 3.05Å; K362-E365 HydrophobicContact CB-CG 4.01Å; K362-E365 WeakPolarHBondContact CG-OE2 3.37Å; K362-E365 PolarHBondContact N-OE2 3.37Å; K362-E365 IonicContact NZ-OE1 2.69Å; K362-E365 PolarHBondContact NZ-OE1 3.37Å; K362-E365 PolarHBondContact O-N 3.47Å
363	S	88.4	Confident	92.2	Very high	127 Å²	127	60.9 Å²	60.9	89%	0.888	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22	-175.6	50.7	0	0	0	0	115.5
364	E	91.2	Very high	92.1	Very high	176 Å²	176	61.6 Å²	61.6	82%	0.822	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.8	-179.2	-61	-177.1	-167.3	0	0	113.2	K362	K362-E364 PolarHBondContact O-N 3.05Å
365	E	92.1	Very high	92.1	Very high	37 Å²	37	64.8 Å²	64.8	17%	0.173	34%	0.339	C	S	.	.			trans	-89.5	136.5	-176.4	-66.3	170	171.4	0	0	110.9	K362 D370 F373	K362-E365 HydrophobicContact CB-CG 4.01Å; K362-E365 WeakPolarHBondContact CG-OE2 3.37Å; K362-E365 PolarHBondContact N-OE2 3.37Å; K362-E365 IonicContact NZ-OE1 2.69Å; K362-E365 PolarHBondContact NZ-OE1 3.37Å; K362-E365 PolarHBondContact O-N 3.47Å; E365-D370 WeakPolarHBondContact CA-OD2 3.27Å; E365-D370 HydrophobicContact CB-CB 4.29Å; E365-D370 HydrophobicContact CG-CB 4.46Å; E365-F373 HydrophobicContact CB-CE2 4.28Å; E365-F373 HydrophobicContact CB-CZ 3.75Å; E365-F373 HydrophobicContact CG-CZ 4.5Å
366	V	91.9	Very high	92	Very high	81 Å²	81	67.4 Å²	67.4	49%	0.491	35%	0.351	S	S	.	.			trans	-110.4	126.6	-177.3	-179.2	0	0	0	0	110	G368 V369 D370	V366-G368 PolarHBondContact O-N 3.14Å; V366-V369 HydrophobicContact CB-CB 4.02Å; V366-V369 HydrophobicContact CB-CG2 4.17Å; V366-V369 HydrophobicContact CG1-CB 4.18Å; V366-V369 HydrophobicContact CG1-CG2 3.79Å; V366-V369 PolarHBondContact O-N 3.27Å; V366-V369 VanDerWaalsContact O-N 3.12Å; V366-D370 PolarHBondContact N-OD2 3.17Å; V366-D370 PolarHBondContact O-N 3.42Å
367	H	91.8	Very high	91.9	Very high	108 Å²	108	73.4 Å²	73.4	50%	0.5	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-61.4	130.9	176.1	179.9	93	0	0	0	111.5	V369 L372 F373	H367-V369 VanDerWaalsContact C-N 3.25Å; H367-V369 PolarHBondContact O-N 3.47Å; H367-L372 WeakPolarHBondContact NE2-CD1 3.48Å; H367-F373 HydrophobicContact CB-CD2 3.83Å; H367-F373 HydrophobicContact CB-CE2 4.46Å; H367-F373 PolarHBondContact CE1-O 2.99Å; H367-F373 AromaticContact ND1-CD2 3.82Å; H367-F373 PolarHBondContact ND1-N 2.92Å; H367-F373 PolarHBondContact ND1-O 3.37Å
368	G	88.6	Confident	91.9	Very high	9 Å²	9	77.8 Å²	77.8	9%	0.093	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.6	-177.2	0	0	0	0	0	114.2	I354 V366 Y371 H481	I354-G368 WeakPolarHBondContact CD1-O 3.29Å; V366-G368 PolarHBondContact O-N 3.14Å; G368-Y371 PolarHBondContact N-O 2.78Å; G368-H481 VanDerWaalsContact O-CB 3.28Å; G368-H481 WeakPolarHBondContact O-CB 3.42Å
369	V	88.1	Confident	91.8	Very high	60 Å²	60	76.9 Å²	76.9	36%	0.364	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-62.7	173.1	175.9	0	0	0	0	108.9	V366 H367 H481	V366-V369 HydrophobicContact CB-CB 4.02Å; V366-V369 HydrophobicContact CB-CG2 4.17Å; V366-V369 HydrophobicContact CG1-CB 4.18Å; V366-V369 HydrophobicContact CG1-CG2 3.79Å; V366-V369 PolarHBondContact O-N 3.27Å; V366-V369 VanDerWaalsContact O-N 3.12Å; H367-V369 VanDerWaalsContact C-N 3.25Å; H367-V369 PolarHBondContact O-N 3.47Å; V369-H481 PolarHBondContact O-CE1 2.89Å; V369-H481 PolarHBondContact O-ND1 3.1Å
370	D	89.5	Confident	91.8	Very high	75 Å²	75	77 Å²	77	40%	0.401	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-48.4	-179.8	-61.2	-78.7	0	0	0	111.3	E365 V366	E365-D370 WeakPolarHBondContact CA-OD2 3.27Å; E365-D370 HydrophobicContact CB-CB 4.29Å; E365-D370 HydrophobicContact CG-CB 4.46Å; V366-D370 PolarHBondContact N-OD2 3.17Å; V366-D370 PolarHBondContact O-N 3.42Å
371	Y	92.5	Very high	91.9	Very high	78 Å²	78	72.8 Å²	72.8	31%	0.306	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157	176.1	-67.7	-90.6	0	0	0	110.5	R355 T357 G368 F373	R355-Y371 HydrophobicContact CB-CD1 3.85Å; R355-Y371 HydrophobicContact CB-CE1 3.96Å; R355-Y371 WeakPolarHBondContact O-CA 3.43Å; T357-Y371 HydrophobicContact CG2-CD1 3.89Å; T357-Y371 HydrophobicContact CG2-CG 3.73Å; G368-Y371 PolarHBondContact N-O 2.78Å; Y371-F373 HydrophobicContact CD2-CE1 4.3Å; Y371-F373 HydrophobicContact CD2-CZ 4.06Å; Y371-F373 HydrophobicContact CG-CE1 4.42Å; Y371-F373 HydrophobicContact CG-CZ 4.37Å; Y371-F373 WeakPolarHBondContact O-CD2 3.32Å; Y371-F373 PolarHBondContact O-N 3.48Å
372	L	93.8	Very high	91.9	Very high	13 Å²	13	70.2 Å²	70.2	7%	0.068	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	96.3	158	-169.4	77.1	0	0	0	108.2	R355 I356 T357 H367 V374 V483 P484	R355-L372 PolarHBondContact O-N 3.41Å; I356-L372 WeakPolarHBondContact CA-O 3.3Å; I356-L372 HydrophobicContact CD1-CD2 3.68Å; I356-L372 HydrophobicContact CG1-CB 4.11Å; I356-L372 HydrophobicContact CG1-CD2 3.83Å; T357-L372 PolarHBondContact N-O 2.9Å; H367-L372 WeakPolarHBondContact NE2-CD1 3.48Å; L372-V374 HydrophobicContact CD2-CG1 3.95Å; L372-V374 HydrophobicContact CG-CG1 3.92Å; L372-V374 PolarHBondContact O-N 2.91Å; L372-V483 HydrophobicContact CD1-CG1 3.79Å; L372-P484 HydrophobicContact CD2-CB 4.22Å; L372-P484 HydrophobicContact CD2-CG 4.06Å
373	F	94.3	Very high	91.8	Very high	23 Å²	23	68.2 Å²	68.2	10%	0.101	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	116.3	176.1	-57.3	-82.3	0	0	0	110.1	T357 Q359 P361 E365 H367 Y371	T357-F373 HydrophobicContact CG2-CD1 3.31Å; T357-F373 HydrophobicContact CG2-CE1 3.62Å; T357-F373 HydrophobicContact CG2-CG 4.14Å; T357-F373 WeakPolarHBondContact O-CA 3.49Å; Q359-F373 VanDerWaalsContact O-CD1 3.28Å; Q359-F373 WeakPolarHBondContact O-CD1 3.32Å; P361-F373 HydrophobicContact CB-CD1 4.16Å; P361-F373 HydrophobicContact CB-CD2 4.17Å; P361-F373 HydrophobicContact CB-CE1 3.95Å; P361-F373 HydrophobicContact CB-CE2 3.97Å; P361-F373 HydrophobicContact CB-CG 4.27Å; P361-F373 HydrophobicContact CB-CZ 3.86Å; P361-F373 HydrophobicContact CG-CB 4.11Å; P361-F373 HydrophobicContact CG-CD1 3.77Å; P361-F373 HydrophobicContact CG-CD2 3.82Å; P361-F373 HydrophobicContact CG-CE1 4.09Å; P361-F373 HydrophobicContact CG-CE2 4.14Å; P361-F373 HydrophobicContact CG-CG 3.63Å; P361-F373 HydrophobicContact CG-CZ 4.27Å; E365-F373 HydrophobicContact CB-CE2 4.28Å; E365-F373 HydrophobicContact CB-CZ 3.75Å; E365-F373 HydrophobicContact CG-CZ 4.5Å; H367-F373 HydrophobicContact CB-CD2 3.83Å; H367-F373 HydrophobicContact CB-CE2 4.46Å; H367-F373 PolarHBondContact CE1-O 2.99Å; H367-F373 AromaticContact ND1-CD2 3.82Å; H367-F373 PolarHBondContact ND1-N 2.92Å; H367-F373 PolarHBondContact ND1-O 3.37Å; Y371-F373 HydrophobicContact CD2-CE1 4.3Å; Y371-F373 HydrophobicContact CD2-CZ 4.06Å; Y371-F373 HydrophobicContact CG-CE1 4.42Å; Y371-F373 HydrophobicContact CG-CZ 4.37Å; Y371-F373 WeakPolarHBondContact O-CD2 3.32Å; Y371-F373 PolarHBondContact O-N 3.48Å
374	V	93.6	Very high	92	Very high	20 Å²	20	68.8 Å²	68.8	12%	0.121	35%	0.354	C	S	.	.			trans	-126.7	160.8	-177.7	-59.2	0	0	0	0	110.8	I356 T357 T358 L372 E378 F379	I356-V374 HydrophobicContact CG2-CB 4.15Å; I356-V374 HydrophobicContact CG2-CG1 3.79Å; I356-V374 HydrophobicContact CG2-CG2 3.23Å; T357-V374 PolarHBondContact O-N 3.4Å; T358-V374 WeakPolarHBondContact CA-O 3.33Å; L372-V374 HydrophobicContact CD2-CG1 3.95Å; L372-V374 HydrophobicContact CG-CG1 3.92Å; L372-V374 PolarHBondContact O-N 2.91Å; V374-E378 HydrophobicContact CB-CB 3.94Å; V374-E378 HydrophobicContact CG2-CB 4.49Å; V374-F379 HydrophobicContact CG2-CB 3.97Å; V374-F379 HydrophobicContact CG2-CD2 4.2Å
375	T	93.9	Very high	91.9	Very high	74 Å²	74	62.7 Å²	62.7	45%	0.454	33%	0.334	S	S	.	.			trans	-71.3	162	169.7	63.4	0	0	0	0	111.2	D377 E378 F379	T375-D377 PolarHBondContact O-N 3.41Å; T375-E378 PolarHBondContact N-OE2 3.19Å; T375-E378 PolarHBondContact O-N 2.78Å; T375-E378 WeakPolarHBondContact OG1-CB 3.46Å; T375-E378 VanDerWaalsContact OG1-CD 3.27Å; T375-E378 VanDerWaalsContact OG1-CG 3.24Å; T375-E378 WeakPolarHBondContact OG1-CG 3.3Å; T375-E378 PolarHBondContact OG1-N 3.46Å; T375-E378 PolarHBondContact OG1-OE2 2.9Å; T375-F379 PolarHBondContact O-N 3.18Å
376	K	92.2	Very high	91.7	Very high	94 Å²	94	68.1 Å²	68.1	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-36.2	174.9	-69.3	-167.6	174.3	-160.4	0	112.3	T358 F379 N380 N397	T358-K376 HydrophobicContact CG2-CG 4.21Å; K376-F379 PolarHBondContact O-N 3.49Å; K376-N380 WeakPolarHBondContact O-CB 3.12Å; K376-N380 PolarHBondContact O-N 2.95Å; K376-N380 PolarHBondContact O-ND2 3.35Å; K376-N397 PolarHBondContact NZ-O 3.4Å
377	D	93.3	Very high	91.5	Very high	125 Å²	125	65.1 Å²	65.1	67%	0.668	35%	0.347	S	S	*	.	H	α-helix	trans	-68.3	-40.3	179.2	-63.5	-27.7	0	0	0	111.8	T375 N380 T381	T375-D377 PolarHBondContact O-N 3.41Å; D377-N380 PolarHBondContact O-N 3.22Å; D377-T381 PolarHBondContact O-N 2.65Å; D377-T381 PolarHBondContact O-OG1 3.28Å
378	E	93.1	Very high	91.5	Very high	94 Å²	94	61 Å²	61	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-45.3	173	-74	164.7	152.8	0	0	111.1	V374 T375 N380 T381 F382	V374-E378 HydrophobicContact CB-CB 3.94Å; V374-E378 HydrophobicContact CG2-CB 4.49Å; T375-E378 PolarHBondContact N-OE2 3.19Å; T375-E378 PolarHBondContact O-N 2.78Å; T375-E378 WeakPolarHBondContact OG1-CB 3.46Å; T375-E378 VanDerWaalsContact OG1-CD 3.27Å; T375-E378 VanDerWaalsContact OG1-CG 3.24Å; T375-E378 WeakPolarHBondContact OG1-CG 3.3Å; T375-E378 PolarHBondContact OG1-N 3.46Å; T375-E378 PolarHBondContact OG1-OE2 2.9Å; E378-N380 VanDerWaalsContact C-N 3.31Å; E378-N380 PolarHBondContact O-N 2.91Å; E378-T381 WeakPolarHBondContact O-CA 3.46Å; E378-T381 VanDerWaalsContact O-CB 3.27Å; E378-T381 WeakPolarHBondContact O-CB 3.45Å; E378-T381 PolarHBondContact O-N 3.28Å; E378-F382 WeakPolarHBondContact O-CD2 3.39Å; E378-F382 PolarHBondContact O-N 3.02Å
379	F	93.7	Very high	91.6	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-57.6	-44.9	176.4	-168	-85	0	0	0	111.8	I356 T358 V374 T375 K376 T381 F382 M383 L388 M399	I356-F379 HydrophobicContact CB-CE2 4.48Å; I356-F379 HydrophobicContact CG2-CD2 3.79Å; I356-F379 HydrophobicContact CG2-CE2 4.19Å; T358-F379 HydrophobicContact CG2-CB 3.6Å; T358-F379 HydrophobicContact CG2-CD2 3.85Å; T358-F379 HydrophobicContact CG2-CG 3.75Å; V374-F379 HydrophobicContact CG2-CB 3.97Å; V374-F379 HydrophobicContact CG2-CD2 4.2Å; T375-F379 PolarHBondContact O-N 3.18Å; K376-F379 PolarHBondContact O-N 3.49Å; F379-T381 VanDerWaalsContact C-N 3.27Å; F379-T381 PolarHBondContact O-N 3.29Å; F379-F382 PolarHBondContact O-N 3.5Å; F379-F382 VanDerWaalsContact O-N 3.16Å; F379-M383 HydrophobicContact CD1-CG 3.93Å; F379-M383 HydrophobicContact CD1-SD 3.85Å; F379-M383 HydrophobicContact CE1-CG 3.73Å; F379-M383 HydrophobicContact CE1-SD 3.54Å; F379-M383 VanDerWaalsContact CE1-SD 3.54Å; F379-M383 PolarHBondContact O-N 2.92Å; F379-L388 HydrophobicContact CD1-CD1 4.38Å; F379-L388 HydrophobicContact CD2-CD1 4.47Å; F379-L388 HydrophobicContact CE1-CD1 3.91Å; F379-L388 HydrophobicContact CE2-CD1 4.01Å; F379-L388 HydrophobicContact CZ-CD1 3.71Å; F379-M399 HydrophobicContact CD1-CB 4Å; F379-M399 HydrophobicContact CD1-CE 4.1Å; F379-M399 HydrophobicContact CD1-SD 3.96Å; F379-M399 HydrophobicContact CD2-CB 4.41Å; F379-M399 HydrophobicContact CE1-CB 3.69Å; F379-M399 HydrophobicContact CE1-CE 3.81Å; F379-M399 HydrophobicContact CE1-CG 4.48Å; F379-M399 HydrophobicContact CE1-SD 4.14Å; F379-M399 HydrophobicContact CE2-CB 4.13Å; F379-M399 HydrophobicContact CG-CB 4.35Å; F379-M399 HydrophobicContact CZ-CB 3.77Å
380	N	92.4	Very high	91.9	Very high	65 Å²	65	58.5 Å²	58.5	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-35.7	175.4	-69.8	-23.7	0	0	0	111.7	K376 D377 E378 F382 M383 D384	K376-N380 WeakPolarHBondContact O-CB 3.12Å; K376-N380 PolarHBondContact O-N 2.95Å; K376-N380 PolarHBondContact O-ND2 3.35Å; D377-N380 PolarHBondContact O-N 3.22Å; E378-N380 VanDerWaalsContact C-N 3.31Å; E378-N380 PolarHBondContact O-N 2.91Å; N380-F382 VanDerWaalsContact C-N 3.34Å; N380-F382 PolarHBondContact O-N 3.32Å; N380-M383 WeakPolarHBondContact O-CB 3.38Å; N380-M383 PolarHBondContact O-N 3.34Å; N380-M383 VanDerWaalsContact O-N 3.15Å; N380-D384 WeakPolarHBondContact O-CB 3.42Å; N380-D384 PolarHBondContact O-N 3.2Å
381	T	93.4	Very high	92	Very high	79 Å²	79	57.1 Å²	57.1	49%	0.485	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-40.2	174.3	-54.1	0	0	0	0	111.8	D377 E378 F379 A385	D377-T381 PolarHBondContact O-N 2.65Å; D377-T381 PolarHBondContact O-OG1 3.28Å; E378-T381 WeakPolarHBondContact O-CA 3.46Å; E378-T381 VanDerWaalsContact O-CB 3.27Å; E378-T381 WeakPolarHBondContact O-CB 3.45Å; E378-T381 PolarHBondContact O-N 3.28Å; F379-T381 VanDerWaalsContact C-N 3.27Å; F379-T381 PolarHBondContact O-N 3.29Å; T381-A385 WeakPolarHBondContact O-CB 3.31Å; T381-A385 PolarHBondContact O-N 3.32Å
382	F	91.1	Very high	91.8	Very high	18 Å²	18	54.9 Å²	54.9	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-35.4	173.1	-73.2	-82	0	0	0	112.1	I356 E378 F379 N380 C387 L388 P487	I356-F382 HydrophobicContact CD1-CD1 4.07Å; I356-F382 HydrophobicContact CD1-CD2 3.88Å; I356-F382 HydrophobicContact CD1-CE1 3.96Å; I356-F382 HydrophobicContact CD1-CE2 3.79Å; I356-F382 HydrophobicContact CD1-CG 4.05Å; I356-F382 HydrophobicContact CD1-CZ 3.84Å; E378-F382 WeakPolarHBondContact O-CD2 3.39Å; E378-F382 PolarHBondContact O-N 3.02Å; F379-F382 PolarHBondContact O-N 3.5Å; F379-F382 VanDerWaalsContact O-N 3.16Å; N380-F382 VanDerWaalsContact C-N 3.34Å; N380-F382 PolarHBondContact O-N 3.32Å; F382-C387 VanDerWaalsContact CD1-SG 3.57Å; F382-C387 PolarHBondContact O-N 3.32Å; F382-C387 PolarHBondContact O-SG 3.29Å; F382-L388 HydrophobicContact CB-CD1 3.8Å; F382-L388 HydrophobicContact CB-CD2 3.95Å; F382-L388 HydrophobicContact CB-CG 3.73Å; F382-P487 HydrophobicContact CD1-CG 4.35Å; F382-P487 HydrophobicContact CE1-CG 4.28Å
383	M	89.8	Confident	91.5	Very high	75 Å²	75	60 Å²	60	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-48.3	173.9	-74	-169.5	65.2	0	0	112	F379 N380 A385 D386 L388 M399	F379-M383 HydrophobicContact CD1-CG 3.93Å; F379-M383 HydrophobicContact CD1-SD 3.85Å; F379-M383 HydrophobicContact CE1-CG 3.73Å; F379-M383 HydrophobicContact CE1-SD 3.54Å; F379-M383 VanDerWaalsContact CE1-SD 3.54Å; F379-M383 PolarHBondContact O-N 2.92Å; N380-M383 WeakPolarHBondContact O-CB 3.38Å; N380-M383 PolarHBondContact O-N 3.34Å; N380-M383 VanDerWaalsContact O-N 3.15Å; M383-A385 PolarHBondContact O-N 3.39Å; M383-D386 PolarHBondContact O-N 3.39Å; M383-L388 HydrophobicContact CG-CD1 3.73Å; M383-M399 HydrophobicContact SD-CE 3.79Å
384	D	91.4	Very high	90.7	Very high	140 Å²	140	61.8 Å²	61.8	75%	0.749	34%	0.337	S	S	*	.	H	α-helix	trans	-65	-23.2	-178.6	-68.5	-18.6	0	0	0	112.3	N380 D386	N380-D384 WeakPolarHBondContact O-CB 3.42Å; N380-D384 PolarHBondContact O-N 3.2Å; D384-D386 VanDerWaalsContact C-N 3.32Å
385	A	90	Very high	89.6	Confident	48 Å²	48	66.8 Å²	66.8	40%	0.397	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.3	175.4	0	0	0	0	0	114	T381 M383 C387	T381-A385 WeakPolarHBondContact O-CB 3.31Å; T381-A385 PolarHBondContact O-N 3.32Å; M383-A385 PolarHBondContact O-N 3.39Å; A385-C387 PolarHBondContact O-N 2.95Å; A385-C387 VanDerWaalsContact O-N 3.09Å
386	D	86.7	Confident	88.9	Confident	150 Å²	150	71.5 Å²	71.5	80%	0.802	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	26.8	-177.3	-72.8	-38.9	0	0	0	114.2	M383 D384	M383-D386 PolarHBondContact O-N 3.39Å; D384-D386 VanDerWaalsContact C-N 3.32Å
387	C	88.2	Confident	88.3	Confident	18 Å²	18	71.5 Å²	71.5	12%	0.122	39%	0.392	C	S	.	.			trans	-98.2	-5.5	-177.5	63	0	0	0	0	113.8	F382 A385 L404	F382-C387 VanDerWaalsContact CD1-SG 3.57Å; F382-C387 PolarHBondContact O-N 3.32Å; F382-C387 PolarHBondContact O-SG 3.29Å; A385-C387 PolarHBondContact O-N 2.95Å; A385-C387 VanDerWaalsContact O-N 3.09Å; C387-L404 WeakPolarHBondContact O-CB 3.23Å; C387-L404 PolarHBondContact O-N 3.04Å
388	L	91.6	Very high	88.1	Confident	22 Å²	22	66.7 Å²	66.7	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.5	175.7	-65.3	-177.8	0	0	0	111.7	I356 F379 F382 M383 L402	I356-L388 HydrophobicContact CD1-CD2 4.25Å; F379-L388 HydrophobicContact CD1-CD1 4.38Å; F379-L388 HydrophobicContact CD2-CD1 4.47Å; F379-L388 HydrophobicContact CE1-CD1 3.91Å; F379-L388 HydrophobicContact CE2-CD1 4.01Å; F379-L388 HydrophobicContact CZ-CD1 3.71Å; F382-L388 HydrophobicContact CB-CD1 3.8Å; F382-L388 HydrophobicContact CB-CD2 3.95Å; F382-L388 HydrophobicContact CB-CG 3.73Å; M383-L388 HydrophobicContact CG-CD1 3.73Å; L388-L402 CarbonylContact C-O 3.55Å; L388-L402 WeakPolarHBondContact CA-O 3.29Å
389	I	92.1	Very high	88.1	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.062	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	154.7	163.1	65.6	177.7	0	0	0	109.6	P391 L402 L404 V407 F419 L429 L434	I389-P391 VanDerWaalsContact C-CD 3.47Å; I389-L402 HydrophobicContact CD1-CD2 3.74Å; I389-L402 HydrophobicContact CD1-CG 3.91Å; I389-L402 HydrophobicContact CG1-CB 3.82Å; I389-L402 HydrophobicContact CG1-CD2 3.94Å; I389-L402 HydrophobicContact CG1-CG 3.73Å; I389-L402 VanDerWaalsContact CG1-O 3.27Å; I389-L402 WeakPolarHBondContact CG1-O 3.48Å; I389-L402 PolarHBondContact N-O 3.37Å; I389-L402 PolarHBondContact O-N 2.96Å; I389-L404 HydrophobicContact CG2-CB 4.25Å; I389-L404 HydrophobicContact CG2-CD1 4.31Å; I389-V407 HydrophobicContact CD1-CG2 3.74Å; I389-F419 HydrophobicContact CD1-CZ 4.36Å; I389-L429 HydrophobicContact CB-CD2 3.71Å; I389-L429 HydrophobicContact CD1-CD2 3.71Å; I389-L429 HydrophobicContact CG1-CD2 4Å; I389-L429 HydrophobicContact CG2-CD2 4.39Å; I389-L434 HydrophobicContact CD1-CD1 3.98Å
390	D	92.9	Very high	88	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.027	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	48	50.9	179.8	-169.6	47.9	0	0	0	116.1	R355 D422 N425	R355-D390 IonicContact CZ-OD2 3.09Å; R355-D390 IonicContact NH1-OD2 3.77Å; R355-D390 PolarHBondContact NH1-OD2 3.31Å; R355-D390 IonicContact NH2-OD2 3.61Å; R355-D390 PolarHBondContact NH2-OD2 3.41Å; D390-D422 WeakPolarHBondContact OD1-CB 3.46Å; D390-D422 PolarHBondContact OD1-N 2.94Å; D390-N425 WeakPolarHBondContact CA-ND2 3.46Å; D390-N425 HydrophobicContact CB-CB 4.39Å; D390-N425 WeakPolarHBondContact OD1-CB 3.38Å; D390-N425 PolarHBondContact OD1-ND2 3.46Å
391	P	91.7	Very high	88.1	Confident	45 Å²	45	62.2 Å²	62.2	29%	0.292	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.4	174.4	30.2	-34.4	0	0	0	110.8	I389 T400 N425	I389-P391 VanDerWaalsContact C-CD 3.47Å; P391-T400 CarbonylContact C-O 3.55Å; P391-T400 WeakPolarHBondContact CA-O 3.33Å; P391-N425 PolarHBondContact O-ND2 3.38Å
392	C	88.9	Confident	88.1	Confident	31 Å²	31	58.5 Å²	58.5	21%	0.209	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.3	-178.8	-169.6	0	0	0	0	111.4	T400	C392-T400 PolarHBondContact N-O 3.18Å; C392-T400 PolarHBondContact O-N 3.47Å; C392-T400 PolarHBondContact O-OG1 3.48Å
393	E	87.3	Confident	88.3	Confident	121 Å²	121	57.7 Å²	57.7	57%	0.565	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.6	170.4	-165.5	-174.5	164.5	0	0	110	N397	E393-N397 PolarHBondContact OE1-OD1 3.37Å
394	T	77.3	Confident	88.4	Confident	60 Å²	60	56.1 Å²	56.1	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	154.5	174.8	-54	0	0	0	0	110.1	K396 N397 C398	T394-K396 PolarHBondContact O-N 2.65Å; T394-N397 PolarHBondContact O-N 2.99Å; T394-C398 WeakPolarHBondContact CB-O 3.33Å; T394-C398 PolarHBondContact N-O 3Å; T394-C398 PolarHBondContact OG1-O 3.23Å
395	S	71.2	Confident	88.5	Confident	125 Å²	125	52.9 Å²	52.9	87%	0.874	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-13.6	179.5	59.2	0	0	0	0	116.4
396	K	78.2	Confident	88.7	Confident	174 Å²	174	50.6 Å²	50.6	76%	0.757	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	22.7	177.4	-62.9	-176.2	179.5	179.1	0	113.5	T394 C398	T394-K396 PolarHBondContact O-N 2.65Å; K396-C398 PolarHBondContact O-N 3.24Å; K396-C398 PolarHBondContact O-SG 2.71Å
397	N	80.5	Confident	89.1	Confident	94 Å²	94	43.5 Å²	43.5	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	33.2	-177.9	-165.2	16.3	0	0	0	112.6	K376 E393 T394	K376-N397 PolarHBondContact NZ-O 3.4Å; E393-N397 PolarHBondContact OE1-OD1 3.37Å; T394-N397 PolarHBondContact O-N 2.99Å
398	C	89	Confident	89.4	Confident	24 Å²	24	43.9 Å²	43.9	16%	0.162	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134	173.6	-61.8	0	0	0	0	107.5	T358 Q359 T394 K396	T358-C398 WeakPolarHBondContact OG1-CA 3.32Å; Q359-C398 HydrophobicContact CB-CB 4.36Å; T394-C398 WeakPolarHBondContact CB-O 3.33Å; T394-C398 PolarHBondContact N-O 3Å; T394-C398 PolarHBondContact OG1-O 3.23Å; K396-C398 PolarHBondContact O-N 3.24Å; K396-C398 PolarHBondContact O-SG 2.71Å
399	M	92.1	Very high	89.5	Confident	44 Å²	44	46 Å²	46	22%	0.217	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.5	-177.4	-53.9	176.3	84.1	0	0	109.3	T357 T358 F379 M383	T357-M399 CarbonylContact C-O 3.57Å; T357-M399 WeakPolarHBondContact CA-O 3.01Å; T358-M399 HydrophobicContact CG2-CB 3.97Å; T358-M399 PolarHBondContact N-O 2.98Å; T358-M399 PolarHBondContact OG1-N 3.33Å; F379-M399 HydrophobicContact CD1-CB 4Å; F379-M399 HydrophobicContact CD1-CE 4.1Å; F379-M399 HydrophobicContact CD1-SD 3.96Å; F379-M399 HydrophobicContact CD2-CB 4.41Å; F379-M399 HydrophobicContact CE1-CB 3.69Å; F379-M399 HydrophobicContact CE1-CE 3.81Å; F379-M399 HydrophobicContact CE1-CG 4.48Å; F379-M399 HydrophobicContact CE1-SD 4.14Å; F379-M399 HydrophobicContact CE2-CB 4.13Å; F379-M399 HydrophobicContact CG-CB 4.35Å; F379-M399 HydrophobicContact CZ-CB 3.77Å; M383-M399 HydrophobicContact SD-CE 3.79Å
400	T	93	Very high	89.7	Confident	22 Å²	22	45.4 Å²	45.4	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.8	171.5	60.1	0	0	0	0	109.4	I356 P391 C392	I356-T400 CarbonylContact O-C 3.57Å; I356-T400 VanDerWaalsContact O-CA 3.26Å; I356-T400 WeakPolarHBondContact O-CA 3.2Å; P391-T400 CarbonylContact C-O 3.55Å; P391-T400 WeakPolarHBondContact CA-O 3.33Å; C392-T400 PolarHBondContact N-O 3.18Å; C392-T400 PolarHBondContact O-N 3.47Å; C392-T400 PolarHBondContact O-OG1 3.48Å
401	G	93.2	Very high	89.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	162.6	178.5	0	0	0	0	0	110.3	R355 I356	R355-G401 CarbonylContact C-O 3.58Å; R355-G401 WeakPolarHBondContact CA-O 3.09Å; R355-G401 WeakPolarHBondContact CB-O 3.49Å; I356-G401 PolarHBondContact N-O 3.31Å; I356-G401 PolarHBondContact O-N 3.45Å
402	L	94.4	Very high	89.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.6	176.9	173.6	60.4	0	0	0	108.4	P353 R355 L388 I389 V407 F419	P353-L402 HydrophobicContact CB-CD1 3.62Å; P353-L402 HydrophobicContact CG-CD1 3.56Å; P353-L402 HydrophobicContact CG-CD2 3.92Å; P353-L402 HydrophobicContact CG-CG 4.39Å; R355-L402 HydrophobicContact CG-CB 4.46Å; R355-L402 HydrophobicContact CG-CD1 4.4Å; L388-L402 CarbonylContact C-O 3.55Å; L388-L402 WeakPolarHBondContact CA-O 3.29Å; I389-L402 HydrophobicContact CD1-CD2 3.74Å; I389-L402 HydrophobicContact CD1-CG 3.91Å; I389-L402 HydrophobicContact CG1-CB 3.82Å; I389-L402 HydrophobicContact CG1-CD2 3.94Å; I389-L402 HydrophobicContact CG1-CG 3.73Å; I389-L402 VanDerWaalsContact CG1-O 3.27Å; I389-L402 WeakPolarHBondContact CG1-O 3.48Å; I389-L402 PolarHBondContact N-O 3.37Å; I389-L402 PolarHBondContact O-N 2.96Å; L402-V407 HydrophobicContact CD1-CG2 4.27Å; L402-V407 HydrophobicContact CD2-CG2 3.79Å; L402-V407 HydrophobicContact CG-CG2 4.05Å; L402-F419 HydrophobicContact CD2-CD1 4.17Å; L402-F419 HydrophobicContact CD2-CD2 3.67Å; L402-F419 HydrophobicContact CD2-CE1 4.22Å; L402-F419 HydrophobicContact CD2-CE2 3.73Å; L402-F419 HydrophobicContact CD2-CG 3.9Å; L402-F419 HydrophobicContact CD2-CZ 4.01Å
403	C	94	Very high	90	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136.3	174.9	-75.5	0	0	0	0	110.7	I356 D405 A406 V407 P484	I356-C403 WeakPolarHBondContact CD1-SG 3.31Å; C403-D405 VanDerWaalsContact C-N 3.27Å; C403-D405 PolarHBondContact O-N 3.32Å; C403-A406 HydrophobicContact CB-CB 4.01Å; C403-A406 PolarHBondContact O-N 3.25Å; C403-V407 PolarHBondContact O-N 2.91Å; C403-P484 HydrophobicContact CB-CB 4.31Å; C403-P484 HydrophobicContact CB-CG 4.15Å
404	L	93.5	Very high	90.3	Very high	41 Å²	41	47.7 Å²	47.7	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-45.6	170.7	178.5	59.3	0	0	0	110.8	C387 I389 A406 V407 L408 L434	C387-L404 WeakPolarHBondContact O-CB 3.23Å; C387-L404 PolarHBondContact O-N 3.04Å; I389-L404 HydrophobicContact CG2-CB 4.25Å; I389-L404 HydrophobicContact CG2-CD1 4.31Å; L404-A406 VanDerWaalsContact C-N 3.29Å; L404-A406 PolarHBondContact O-N 3.03Å; L404-V407 WeakPolarHBondContact O-CB 3.39Å; L404-V407 PolarHBondContact O-N 2.76Å; L404-L408 HydrophobicContact CD1-CD1 4.38Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 4Å; L404-L408 HydrophobicContact CG-CG 4.29Å; L404-L408 WeakPolarHBondContact O-CG 3.37Å; L404-L408 PolarHBondContact O-N 2.67Å; L404-L434 HydrophobicContact CD1-CD1 3.88Å; L404-L434 HydrophobicContact CD1-CD2 3.62Å; L404-L434 HydrophobicContact CD1-CG 3.76Å
405	D	92.6	Very high	91.2	Very high	73 Å²	73	45.6 Å²	45.6	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-59.9	-38.2	-179.6	-66	-29.4	0	0	0	112.4	C403 V407 L408 E409	C403-D405 VanDerWaalsContact C-N 3.27Å; C403-D405 PolarHBondContact O-N 3.32Å; D405-V407 PolarHBondContact O-N 2.94Å; D405-L408 PolarHBondContact O-N 3.27Å; D405-L408 VanDerWaalsContact O-N 3.15Å; D405-E409 WeakPolarHBondContact O-CB 3.4Å; D405-E409 VanDerWaalsContact O-CG 3.31Å; D405-E409 WeakPolarHBondContact O-CG 3.2Å; D405-E409 PolarHBondContact O-N 2.99Å
406	A	94.5	Very high	92.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-34	177	0	0	0	0	0	112.2	P353 C403 L404 I410 P484	P353-A406 HydrophobicContact CB-CB 4.27Å; C403-A406 HydrophobicContact CB-CB 4.01Å; C403-A406 PolarHBondContact O-N 3.25Å; L404-A406 VanDerWaalsContact C-N 3.29Å; L404-A406 PolarHBondContact O-N 3.03Å; A406-I410 WeakPolarHBondContact O-CG1 3.21Å; A406-P484 HydrophobicContact CB-CG 4.35Å
407	V	95.1	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.9	-44.6	174.3	-178.5	0	0	0	0	110.7	P324 P353 I389 L402 C403 L404 D405 E409 I410 I411 A417 F419 L434	P324-V407 HydrophobicContact CB-CG1 4.29Å; P324-V407 HydrophobicContact CG-CG1 3.76Å; P353-V407 HydrophobicContact CB-CG2 4.25Å; P353-V407 HydrophobicContact CG-CG2 4.09Å; I389-V407 HydrophobicContact CD1-CG2 3.74Å; L402-V407 HydrophobicContact CD1-CG2 4.27Å; L402-V407 HydrophobicContact CD2-CG2 3.79Å; L402-V407 HydrophobicContact CG-CG2 4.05Å; C403-V407 PolarHBondContact O-N 2.91Å; L404-V407 WeakPolarHBondContact O-CB 3.39Å; L404-V407 PolarHBondContact O-N 2.76Å; D405-V407 PolarHBondContact O-N 2.94Å; V407-E409 VanDerWaalsContact C-N 3.32Å; V407-E409 PolarHBondContact O-N 3Å; V407-I410 PolarHBondContact O-N 3.35Å; V407-I411 HydrophobicContact CG1-CD1 4.28Å; V407-I411 WeakPolarHBondContact O-CG1 3.49Å; V407-I411 PolarHBondContact O-N 3.33Å; V407-A417 HydrophobicContact CG1-CB 3.87Å; V407-F419 HydrophobicContact CG1-CE1 4.15Å; V407-F419 HydrophobicContact CG2-CE1 4.02Å; V407-F419 HydrophobicContact CG2-CZ 4.43Å; V407-L434 HydrophobicContact CB-CD2 4.24Å; V407-L434 HydrophobicContact CG1-CD2 3.7Å
408	L	94.4	Very high	94.1	Very high	27 Å²	27	27 Å²	27	14%	0.141	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-36.4	-179.5	-64.6	179.7	0	0	0	112.4	L404 D405 I410 I411 Q412 T433 L434	L404-L408 HydrophobicContact CD1-CD1 4.38Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 4Å; L404-L408 HydrophobicContact CG-CG 4.29Å; L404-L408 WeakPolarHBondContact O-CG 3.37Å; L404-L408 PolarHBondContact O-N 2.67Å; D405-L408 PolarHBondContact O-N 3.27Å; D405-L408 VanDerWaalsContact O-N 3.15Å; L408-I410 VanDerWaalsContact C-N 3.3Å; L408-I410 PolarHBondContact O-N 2.95Å; L408-I411 HydrophobicContact CD2-CD1 4.26Å; L408-I411 PolarHBondContact O-N 3.17Å; L408-Q412 WeakPolarHBondContact O-CB 3.42Å; L408-Q412 VanDerWaalsContact O-CG 3.25Å; L408-Q412 WeakPolarHBondContact O-CG 3.2Å; L408-Q412 PolarHBondContact O-N 3.44Å; L408-T433 HydrophobicContact CD1-CG2 4.36Å; L408-T433 HydrophobicContact CD2-CG2 3.91Å; L408-L434 HydrophobicContact CD2-CD2 4.07Å
409	E	94.3	Very high	94.5	Very high	66 Å²	66	25.9 Å²	25.9	31%	0.308	15%	0.146	S	C	.	.	H	α-helix	trans	-59.6	-39.9	174.6	-77.7	176.8	-171.4	0	0	112	D405 V407 Q412 A413 S482	D405-E409 WeakPolarHBondContact O-CB 3.4Å; D405-E409 VanDerWaalsContact O-CG 3.31Å; D405-E409 WeakPolarHBondContact O-CG 3.2Å; D405-E409 PolarHBondContact O-N 2.99Å; V407-E409 VanDerWaalsContact C-N 3.32Å; V407-E409 PolarHBondContact O-N 3Å; E409-Q412 PolarHBondContact O-N 3.49Å; E409-A413 WeakPolarHBondContact O-CB 3.47Å; E409-A413 PolarHBondContact O-N 3.4Å; E409-S482 WeakPolarHBondContact OE2-CB 3.49Å
410	I	95.7	Very high	94.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-44.6	176.1	-62	175.4	0	0	0	110.5	R351 P353 A406 V407 L408 Q412 A413 Q415 A417	R351-I410 HydrophobicContact CB-CD1 4.14Å; R351-I410 HydrophobicContact CB-CG1 4.47Å; R351-I410 HydrophobicContact CB-CG2 3.96Å; R351-I410 HydrophobicContact CG-CD1 3.88Å; R351-I410 HydrophobicContact CG-CG1 4.23Å; P353-I410 HydrophobicContact CB-CD1 3.66Å; P353-I410 HydrophobicContact CG-CD1 4.35Å; A406-I410 WeakPolarHBondContact O-CG1 3.21Å; V407-I410 PolarHBondContact O-N 3.35Å; L408-I410 VanDerWaalsContact C-N 3.3Å; L408-I410 PolarHBondContact O-N 2.95Å; I410-Q412 VanDerWaalsContact C-N 3.35Å; I410-Q412 PolarHBondContact O-N 3.46Å; I410-A413 WeakPolarHBondContact O-CB 3.35Å; I410-A413 PolarHBondContact O-N 3.28Å; I410-Q415 HydrophobicContact CG2-CB 3.7Å; I410-Q415 PolarHBondContact O-N 2.84Å; I410-Q415 VanDerWaalsContact O-N 3.14Å; I410-A417 HydrophobicContact CB-CB 4.08Å; I410-A417 HydrophobicContact CD1-CB 4.19Å; I410-A417 HydrophobicContact CG2-CB 3.86Å
411	I	93.7	Very high	94.8	Very high	24 Å²	24	25.1 Å²	25.1	12%	0.123	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-44.6	177.6	-59.9	172.5	0	0	0	110.3	P324 V407 L408 A413 G414	P324-I411 HydrophobicContact CG-CD1 3.75Å; P324-I411 HydrophobicContact CG-CG1 4.4Å; V407-I411 HydrophobicContact CG1-CD1 4.28Å; V407-I411 WeakPolarHBondContact O-CG1 3.49Å; V407-I411 PolarHBondContact O-N 3.33Å; L408-I411 HydrophobicContact CD2-CD1 4.26Å; L408-I411 PolarHBondContact O-N 3.17Å; I411-A413 PolarHBondContact O-N 2.83Å; I411-G414 PolarHBondContact O-N 2.82Å
412	Q	92.7	Very high	94.8	Very high	136 Å²	136	26.7 Å²	26.7	64%	0.636	15%	0.15	S	C	*	.	H	α-helix	trans	-64.6	-28.2	178.5	-73.4	173.3	17.2	0	0	112.9	L408 E409 I410 G414	L408-Q412 WeakPolarHBondContact O-CB 3.42Å; L408-Q412 VanDerWaalsContact O-CG 3.25Å; L408-Q412 WeakPolarHBondContact O-CG 3.2Å; L408-Q412 PolarHBondContact O-N 3.44Å; E409-Q412 PolarHBondContact O-N 3.49Å; I410-Q412 VanDerWaalsContact C-N 3.35Å; I410-Q412 PolarHBondContact O-N 3.46Å; Q412-G414 PolarHBondContact O-N 2.79Å
413	A	93.9	Very high	94.7	Very high	61 Å²	61	29.2 Å²	29.2	50%	0.504	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.4	172.9	0	0	0	0	0	113.3	E409 I410 I411 Q415	E409-A413 WeakPolarHBondContact O-CB 3.47Å; E409-A413 PolarHBondContact O-N 3.4Å; I410-A413 WeakPolarHBondContact O-CB 3.35Å; I410-A413 PolarHBondContact O-N 3.28Å; I411-A413 PolarHBondContact O-N 2.83Å; A413-Q415 HydrophobicContact CB-CG 4.3Å
414	G	93.3	Very high	94.5	Very high	28 Å²	28	36.2 Å²	36.2	29%	0.289	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	27.3	-176.7	0	0	0	0	0	113.1	G320 Y322 I411 Q412	G320-G414 WeakPolarHBondContact O-CA 3.42Å; Y322-G414 WeakPolarHBondContact CD2-O 3.29Å; Y322-G414 VanDerWaalsContact CE2-O 3.23Å; Y322-G414 WeakPolarHBondContact CE2-O 3.28Å; I411-G414 PolarHBondContact O-N 2.82Å; Q412-G414 PolarHBondContact O-N 2.79Å
415	Q	95.1	Very high	94.5	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.075	18%	0.183	C	C	.	.			trans	-114.3	160.7	-179.4	-61.7	-177.2	-70.9	0	0	111	E348 H349 R351 I410 A413	E348-Q415 PolarHBondContact O-NE2 2.8Å; H349-Q415 WeakPolarHBondContact O-CA 3.4Å; H349-Q415 WeakPolarHBondContact O-CB 3.45Å; R351-Q415 VanDerWaalsContact NE-OE1 3.15Å; I410-Q415 HydrophobicContact CG2-CB 3.7Å; I410-Q415 PolarHBondContact O-N 2.84Å; I410-Q415 VanDerWaalsContact O-N 3.14Å; A413-Q415 HydrophobicContact CB-CG 4.3Å
416	V	95.9	Very high	94.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.8	174.7	-177.9	0	0	0	0	109.2	Y322 I325 H349 F350 R351 I418 E595	Y322-V416 HydrophobicContact CD2-CG2 4Å; Y322-V416 HydrophobicContact CG-CG2 3.85Å; I325-V416 HydrophobicContact CD1-CG1 3.81Å; I325-V416 HydrophobicContact CG1-CG1 3.89Å; H349-V416 WeakPolarHBondContact NE2-CG2 3.39Å; H349-V416 PolarHBondContact O-N 2.95Å; F350-V416 HydrophobicContact CD1-CB 3.72Å; F350-V416 HydrophobicContact CD1-CG1 3.93Å; F350-V416 HydrophobicContact CD1-CG2 4.33Å; F350-V416 HydrophobicContact CE1-CB 3.98Å; F350-V416 HydrophobicContact CE1-CG1 4.04Å; F350-V416 HydrophobicContact CE1-CG2 4.16Å; R351-V416 PolarHBondContact N-O 3.04Å; V416-I418 PolarHBondContact O-N 3.43Å; V416-E595 WeakPolarHBondContact CG2-OE1 3.34Å
417	A	97.2	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	168.8	0	0	0	0	0	109.9	P324 I325 R351 V407 I410	P324-A417 CarbonylContact C-O 3.56Å; P324-A417 WeakPolarHBondContact CA-O 3.49Å; P324-A417 HydrophobicContact CB-CB 4.13Å; P324-A417 HydrophobicContact CG-CB 4.39Å; I325-A417 PolarHBondContact N-O 3.06Å; R351-A417 WeakPolarHBondContact O-CA 3.42Å; V407-A417 HydrophobicContact CG1-CB 3.87Å; I410-A417 HydrophobicContact CB-CB 4.08Å; I410-A417 HydrophobicContact CD1-CB 4.19Å; I410-A417 HydrophobicContact CG2-CB 3.86Å
418	I	98	Very high	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.5	175.3	-177	169.1	0	0	0	110.6	I325 I339 L342 I343 F350 R351 E352 V416	I325-I418 HydrophobicContact CB-CB 4.39Å; I325-I418 HydrophobicContact CB-CD1 4.46Å; I325-I418 HydrophobicContact CB-CG1 4.19Å; I325-I418 HydrophobicContact CG2-CD1 4.21Å; I325-I418 HydrophobicContact CG2-CG1 4.28Å; I325-I418 WeakPolarHBondContact O-CA 3.49Å; I339-I418 HydrophobicContact CD1-CG1 4.36Å; I339-I418 HydrophobicContact CG1-CD1 4.01Å; I339-I418 HydrophobicContact CG1-CG1 3.97Å; I339-I418 HydrophobicContact CG2-CG1 4.34Å; I339-I418 HydrophobicContact CG2-CG2 4.13Å; L342-I418 HydrophobicContact CD2-CD1 3.46Å; L342-I418 VanDerWaalsContact CD2-CD1 3.46Å; I343-I418 HydrophobicContact CD1-CG2 4.16Å; I343-I418 HydrophobicContact CG1-CG2 4.13Å; F350-I418 HydrophobicContact CB-CG2 4.31Å; R351-I418 PolarHBondContact O-N 3.07Å; E352-I418 WeakPolarHBondContact CA-O 3.49Å; V416-I418 PolarHBondContact O-N 3.43Å
419	F	97.2	Very high	93.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.5	-179.1	54.9	-88	0	0	0	112.7	P324 I325 V326 L327 P353 I389 L402 V407 L429	P324-F419 HydrophobicContact CB-CE1 3.9Å; P324-F419 HydrophobicContact CB-CZ 4.5Å; I325-F419 PolarHBondContact O-N 3.43Å; I325-F419 VanDerWaalsContact O-N 3.13Å; V326-F419 WeakPolarHBondContact CA-O 3.05Å; V326-F419 HydrophobicContact CB-CE2 4.47Å; V326-F419 HydrophobicContact CG1-CD2 4.37Å; V326-F419 HydrophobicContact CG1-CE2 4.05Å; V326-F419 HydrophobicContact CG2-CD2 4.45Å; V326-F419 HydrophobicContact CG2-CE1 4.17Å; V326-F419 HydrophobicContact CG2-CE2 3.74Å; V326-F419 HydrophobicContact CG2-CZ 3.58Å; L327-F419 PolarHBondContact N-O 2.71Å; P353-F419 HydrophobicContact CG-CB 4.1Å; P353-F419 HydrophobicContact CG-CD1 3.89Å; P353-F419 HydrophobicContact CG-CG 4.22Å; I389-F419 HydrophobicContact CD1-CZ 4.36Å; L402-F419 HydrophobicContact CD2-CD1 4.17Å; L402-F419 HydrophobicContact CD2-CD2 3.67Å; L402-F419 HydrophobicContact CD2-CE1 4.22Å; L402-F419 HydrophobicContact CD2-CE2 3.73Å; L402-F419 HydrophobicContact CD2-CG 3.9Å; L402-F419 HydrophobicContact CD2-CZ 4.01Å; V407-F419 HydrophobicContact CG1-CE1 4.15Å; V407-F419 HydrophobicContact CG2-CE1 4.02Å; V407-F419 HydrophobicContact CG2-CZ 4.43Å; F419-L429 HydrophobicContact CE2-CD1 4.41Å; F419-L429 HydrophobicContact CE2-CD2 4.16Å; F419-L429 HydrophobicContact CZ-CD2 4.35Å
420	E	96.5	Very high	93.5	Very high	39 Å²	39	37.5 Å²	37.5	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	150.4	167.6	-54.8	-171.8	-165.4	0	0	110.8	L327 K335 S336 I339 R355	L327-E420 CarbonylContact O-C 3.59Å; L327-E420 VanDerWaalsContact O-CA 3.29Å; L327-E420 WeakPolarHBondContact O-CA 3.49Å; K335-E420 VanDerWaalsContact C-OE1 3.26Å; K335-E420 VanDerWaalsContact CB-CD 3.46Å; K335-E420 HydrophobicContact CB-CG 3.91Å; K335-E420 WeakPolarHBondContact CB-OE1 3.32Å; K335-E420 WeakPolarHBondContact CE-OE2 3.33Å; K335-E420 IonicContact NZ-OE2 3.29Å; S336-E420 WeakPolarHBondContact CA-OE1 3.44Å; S336-E420 WeakPolarHBondContact CB-OE1 3.48Å; S336-E420 PolarHBondContact N-OE1 3.14Å; S336-E420 PolarHBondContact OG-OE1 3Å; I339-E420 HydrophobicContact CD1-CB 4.48Å; I339-E420 HydrophobicContact CD1-CG 3.45Å; I339-E420 VanDerWaalsContact CD1-CG 3.45Å; R355-E420 PolarHBondContact NH2-O 3.03Å
421	A	95.4	Very high	93.3	Very high	10 Å²	10	39.8 Å²	39.8	8%	0.083	21%	0.21	C	C	.	.			trans	-136.3	156.3	168.6	0	0	0	0	0	112.2	V326 L327 V328 L429	V326-A421 HydrophobicContact CG1-CB 3.5Å; V326-A421 VanDerWaalsContact CG1-CB 3.5Å; L327-A421 PolarHBondContact O-N 2.99Å; V328-A421 HydrophobicContact CG2-CB 4.34Å; A421-L429 HydrophobicContact CB-CD1 3.45Å; A421-L429 VanDerWaalsContact CB-CD1 3.45Å
422	D	93.2	Very high	93.2	Very high	33 Å²	33	40 Å²	40	18%	0.176	21%	0.213	C	C	.	.			trans	-75.9	136.7	169.7	-162.6	-66.6	0	0	0	110.5	D390 R424 N425	D390-D422 WeakPolarHBondContact OD1-CB 3.46Å; D390-D422 PolarHBondContact OD1-N 2.94Å; D422-R424 VanDerWaalsContact CG-NE 3.32Å; D422-R424 PolarHBondContact O-N 3.25Å; D422-R424 VanDerWaalsContact O-N 3.13Å; D422-R424 VanDerWaalsContact OD1-CB 3.29Å; D422-R424 WeakPolarHBondContact OD1-CB 3.41Å; D422-R424 VanDerWaalsContact OD1-CG 3.27Å; D422-R424 WeakPolarHBondContact OD1-CG 3.5Å; D422-R424 IonicContact OD1-CZ 3.11Å; D422-R424 PolarHBondContact OD1-N 2.78Å; D422-R424 IonicContact OD1-NE 3.31Å; D422-R424 PolarHBondContact OD1-NE 2.78Å; D422-R424 IonicContact OD1-NH2 3.54Å; D422-R424 IonicContact OD2-CZ 2.64Å; D422-R424 IonicContact OD2-NE 3.8Å; D422-R424 PolarHBondContact OD2-NE 2.97Å; D422-R424 IonicContact OD2-NH2 2.72Å; D422-R424 PolarHBondContact OD2-NH2 3.07Å; D422-N425 PolarHBondContact O-N 2.89Å
423	Y	92.2	Very high	93.1	Very high	54 Å²	54	37.5 Å²	37.5	21%	0.212	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.9	-28.5	179.9	66.9	-89.2	0	0	0	112.8	N425 L426 R562 L563 H567	Y423-N425 PolarHBondContact O-N 3.32Å; Y423-L426 PolarHBondContact O-N 2.92Å; Y423-R562 PolarHBondContact OH-NH2 2.64Å; Y423-L563 HydrophobicContact CD1-CD1 4.19Å; Y423-L563 HydrophobicContact CD1-CD2 3.67Å; Y423-L563 HydrophobicContact CD2-CD2 3.36Å; Y423-L563 HydrophobicContact CE1-CD2 3.92Å; Y423-L563 HydrophobicContact CE2-CD2 3.6Å; Y423-L563 HydrophobicContact CG-CD1 4.43Å; Y423-L563 HydrophobicContact CG-CD2 3.37Å; Y423-H567 AromaticContact CD2-CE1 3.6Å; Y423-H567 AromaticContact CD2-ND1 3.86Å; Y423-H567 AromaticContact CD2-NE2 3.74Å; Y423-H567 AromaticContact CE2-CE1 3.91Å
424	R	91.1	Very high	93.1	Very high	148 Å²	148	34.9 Å²	34.9	56%	0.558	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-66.1	-26.7	178.1	-64.3	172.1	-74.6	171.2	2.7	112.3	D422	D422-R424 VanDerWaalsContact CG-NE 3.32Å; D422-R424 PolarHBondContact O-N 3.25Å; D422-R424 VanDerWaalsContact O-N 3.13Å; D422-R424 VanDerWaalsContact OD1-CB 3.29Å; D422-R424 WeakPolarHBondContact OD1-CB 3.41Å; D422-R424 VanDerWaalsContact OD1-CG 3.27Å; D422-R424 WeakPolarHBondContact OD1-CG 3.5Å; D422-R424 IonicContact OD1-CZ 3.11Å; D422-R424 PolarHBondContact OD1-N 2.78Å; D422-R424 IonicContact OD1-NE 3.31Å; D422-R424 PolarHBondContact OD1-NE 2.78Å; D422-R424 IonicContact OD1-NH2 3.54Å; D422-R424 IonicContact OD2-CZ 2.64Å; D422-R424 IonicContact OD2-NE 3.8Å; D422-R424 PolarHBondContact OD2-NE 2.97Å; D422-R424 IonicContact OD2-NH2 2.72Å; D422-R424 PolarHBondContact OD2-NH2 3.07Å
425	N	92.1	Very high	93.1	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-99.7	0.1	-175.9	-62.4	-31.2	0	0	0	113.1	D390 P391 D422 Y423 M427 S428 L429	D390-N425 WeakPolarHBondContact CA-ND2 3.46Å; D390-N425 HydrophobicContact CB-CB 4.39Å; D390-N425 WeakPolarHBondContact OD1-CB 3.38Å; D390-N425 PolarHBondContact OD1-ND2 3.46Å; P391-N425 PolarHBondContact O-ND2 3.38Å; D422-N425 PolarHBondContact O-N 2.89Å; Y423-N425 PolarHBondContact O-N 3.32Å; N425-M427 PolarHBondContact O-N 2.84Å; N425-M427 VanDerWaalsContact O-N 3.11Å; N425-S428 PolarHBondContact O-N 2.99Å; N425-S428 PolarHBondContact O-OG 3.41Å; N425-L429 PolarHBondContact O-N 3.47Å
426	L	91.9	Very high	93.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-31.9	-176.7	-79.2	178.3	0	0	0	113.9	V328 Y423 S428 L429 R430 I438 L570	V328-L426 HydrophobicContact CG1-CD1 4.24Å; V328-L426 HydrophobicContact CG2-CD1 4.1Å; V328-L426 HydrophobicContact CG2-CD2 3.55Å; V328-L426 HydrophobicContact CG2-CG 4.12Å; Y423-L426 PolarHBondContact O-N 2.92Å; L426-S428 VanDerWaalsContact C-N 3.34Å; L426-L429 HydrophobicContact CD2-CD1 4.15Å; L426-L429 PolarHBondContact O-N 3.43Å; L426-R430 WeakPolarHBondContact O-CG 3.11Å; L426-R430 PolarHBondContact O-N 2.85Å; L426-I438 HydrophobicContact CD1-CG2 4.45Å; L426-I438 HydrophobicContact CD2-CD1 3.88Å; L426-I438 HydrophobicContact CD2-CG1 4.3Å; L426-I438 HydrophobicContact CD2-CG2 3.91Å; L426-L570 HydrophobicContact CB-CD1 3.93Å; L426-L570 HydrophobicContact CD1-CB 4.15Å; L426-L570 HydrophobicContact CD1-CD1 4.25Å
427	M	87.8	Confident	93.2	Very high	125 Å²	125	34.8 Å²	34.8	62%	0.616	18%	0.176	S	C	*	.	H	α-helix	trans	-65.3	-36.3	177.3	-71.2	-58.1	-62.8	0	0	112.5	N425 L429 R430 L570	N425-M427 PolarHBondContact O-N 2.84Å; N425-M427 VanDerWaalsContact O-N 3.11Å; M427-L429 VanDerWaalsContact C-N 3.32Å; M427-R430 PolarHBondContact O-N 3.15Å; M427-L570 HydrophobicContact CG-CD1 4.42Å; M427-L570 HydrophobicContact SD-CD1 4.11Å; M427-L570 HydrophobicContact SD-CD2 3.52Å; M427-L570 VanDerWaalsContact SD-CD2 3.52Å; M427-L570 HydrophobicContact SD-CG 4.49Å
428	S	86.3	Confident	93.1	Very high	57 Å²	57	34.8 Å²	34.8	40%	0.399	18%	0.176	S	C	.	.	H	α-helix	trans	-75.5	-22.9	178	63.4	0	0	0	0	112.5	N425 L426 T431	N425-S428 PolarHBondContact O-N 2.99Å; N425-S428 PolarHBondContact O-OG 3.41Å; L426-S428 VanDerWaalsContact C-N 3.34Å; S428-T431 VanDerWaalsContact O-CG2 3.31Å; S428-T431 WeakPolarHBondContact O-CG2 3.42Å
429	L	92.8	Very high	93.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-76.7	-26.9	174.2	-66.3	171.5	0	0	0	113.3	V326 I389 F419 A421 N425 L426 M427 T431 L434 P436	V326-L429 HydrophobicContact CG1-CD1 4.1Å; I389-L429 HydrophobicContact CB-CD2 3.71Å; I389-L429 HydrophobicContact CD1-CD2 3.71Å; I389-L429 HydrophobicContact CG1-CD2 4Å; I389-L429 HydrophobicContact CG2-CD2 4.39Å; F419-L429 HydrophobicContact CE2-CD1 4.41Å; F419-L429 HydrophobicContact CE2-CD2 4.16Å; F419-L429 HydrophobicContact CZ-CD2 4.35Å; A421-L429 HydrophobicContact CB-CD1 3.45Å; A421-L429 VanDerWaalsContact CB-CD1 3.45Å; N425-L429 PolarHBondContact O-N 3.47Å; L426-L429 HydrophobicContact CD2-CD1 4.15Å; L426-L429 PolarHBondContact O-N 3.43Å; M427-L429 VanDerWaalsContact C-N 3.32Å; L429-T431 PolarHBondContact O-N 3.31Å; L429-L434 HydrophobicContact CD2-CD1 4.39Å; L429-P436 WeakPolarHBondContact O-CD 3.37Å; L429-P436 WeakPolarHBondContact O-CG 3.33Å
430	R	92.5	Very high	93.1	Very high	25 Å²	25	34.7 Å²	34.7	9%	0.094	18%	0.176	C	C	.	.			trans	-76.2	59.6	-175	-80.5	178.1	67.9	83.4	0.9	113.1	E310 L426 M427 I438 L570 W605	E310-R430 VanDerWaalsContact CD-NH2 3.33Å; E310-R430 IonicContact OE1-CZ 3.54Å; E310-R430 IonicContact OE1-NH2 3.39Å; E310-R430 PolarHBondContact OE1-NH2 3.13Å; E310-R430 IonicContact OE2-NH2 3.71Å; E310-R430 PolarHBondContact OE2-NH2 3.37Å; E310-R430 VanDerWaalsContact OE2-NH2 3.11Å; L426-R430 WeakPolarHBondContact O-CG 3.11Å; L426-R430 PolarHBondContact O-N 2.85Å; M427-R430 PolarHBondContact O-N 3.15Å; R430-I438 HydrophobicContact CG-CD1 3.9Å; R430-L570 PolarHBondContact NH1-O 3.39Å; R430-W605 HydrophobicContact CB-CZ2 3.8Å; R430-W605 HydrophobicContact CG-CH2 4.46Å; R430-W605 HydrophobicContact CG-CZ2 4.09Å; R430-W605 PolarHBondContact O-NE1 2.85Å
431	T	91.3	Very high	93.1	Very high	48 Å²	48	32.8 Å²	32.8	29%	0.294	17%	0.167	S	C	.	.			trans	-103.9	157.6	-177.9	66.8	0	0	0	0	112.7	S428 L429 T433 L434 K435	S428-T431 VanDerWaalsContact O-CG2 3.31Å; S428-T431 WeakPolarHBondContact O-CG2 3.42Å; L429-T431 PolarHBondContact O-N 3.31Å; T431-T433 PolarHBondContact O-N 3.42Å; T431-L434 PolarHBondContact OG1-N 3.05Å; T431-K435 PolarHBondContact O-N 3.12Å
432	S	91.3	Very high	93.1	Very high	28 Å²	28	35.2 Å²	35.2	20%	0.196	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.8	172.6	61.1	0	0	0	0	112.7	K435 S608	S432-K435 WeakPolarHBondContact O-CE 3.35Å; S432-K435 VanDerWaalsContact O-CG 3.27Å; S432-K435 WeakPolarHBondContact O-CG 3.28Å; S432-K435 PolarHBondContact O-NZ 2.7Å; S432-S608 VanDerWaalsContact CB-OG 3.29Å; S432-S608 WeakPolarHBondContact CB-OG 3.49Å; S432-S608 PolarHBondContact OG-OG 2.69Å
433	T	91.2	Very high	93.2	Very high	85 Å²	85	33.9 Å²	33.9	52%	0.521	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-51.6	177.6	-47.7	0	0	0	0	111.3	L408 T431	L408-T433 HydrophobicContact CD1-CG2 4.36Å; L408-T433 HydrophobicContact CD2-CG2 3.91Å; T431-T433 PolarHBondContact O-N 3.42Å
434	L	92.6	Very high	93.2	Very high	5 Å²	5	32 Å²	32	3%	0.026	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-36.8	-176	-69.5	179.3	0	0	0	112.8	P324 I389 L404 V407 L408 L429 T431 P436	P324-L434 WeakPolarHBondContact CD-O 3.49Å; P324-L434 HydrophobicContact CG-CD2 4.31Å; I389-L434 HydrophobicContact CD1-CD1 3.98Å; L404-L434 HydrophobicContact CD1-CD1 3.88Å; L404-L434 HydrophobicContact CD1-CD2 3.62Å; L404-L434 HydrophobicContact CD1-CG 3.76Å; V407-L434 HydrophobicContact CB-CD2 4.24Å; V407-L434 HydrophobicContact CG1-CD2 3.7Å; L408-L434 HydrophobicContact CD2-CD2 4.07Å; L429-L434 HydrophobicContact CD2-CD1 4.39Å; T431-L434 PolarHBondContact OG1-N 3.05Å; L434-P436 VanDerWaalsContact C-N 3.28Å
435	K	94.2	Very high	93.2	Very high	41 Å²	41	29.2 Å²	29.2	18%	0.178	16%	0.163	C	C	.	.			trans	43	51.5	-171.3	-54.6	-176.3	-179.8	69.4	0	112.1	Y315 R323 T431 S432 I601 W605	Y315-K435 HydrophobicContact CD2-CD 4.35Å; Y315-K435 HydrophobicContact CE2-CD 3.98Å; R323-K435 HydrophobicContact CG-CB 4.42Å; R323-K435 PolarHBondContact NE-O 3.21Å; R323-K435 PolarHBondContact NH2-O 3.24Å; T431-K435 PolarHBondContact O-N 3.12Å; S432-K435 WeakPolarHBondContact O-CE 3.35Å; S432-K435 VanDerWaalsContact O-CG 3.27Å; S432-K435 WeakPolarHBondContact O-CG 3.28Å; S432-K435 PolarHBondContact O-NZ 2.7Å; K435-I601 HydrophobicContact CD-CD1 4.05Å; K435-W605 HydrophobicContact CB-CE3 3.81Å; K435-W605 HydrophobicContact CB-CZ3 4.09Å; K435-W605 WeakPolarHBondContact CE-O 3.49Å; K435-W605 HydrophobicContact CG-CB 4.43Å; K435-W605 HydrophobicContact CG-CD2 4.49Å; K435-W605 HydrophobicContact CG-CE3 3.89Å
436	P	95.7	Very high	93	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.166	C	C	.	.			trans	-60.8	153.2	-170	29.8	-38	0	0	0	111.5	R323 V326 L429 L434 I438 W605	R323-P436 PolarHBondContact NH2-O 3.4Å; V326-P436 HydrophobicContact CG2-CB 3.78Å; L429-P436 WeakPolarHBondContact O-CD 3.37Å; L429-P436 WeakPolarHBondContact O-CG 3.33Å; L434-P436 VanDerWaalsContact C-N 3.28Å; P436-I438 HydrophobicContact CB-CG1 4.19Å; P436-I438 HydrophobicContact CG-CD1 4.25Å; P436-I438 HydrophobicContact CG-CG1 4.26Å; P436-W605 HydrophobicContact CG-CH2 4.42Å
437	F	96.1	Very high	92.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.1	164.5	-168.3	-85	0	0	0	108.5	P324 V326 I439 D572 F573 M590 I594 F599	P324-F437 PolarHBondContact O-N 2.78Å; V326-F437 PolarHBondContact N-O 3.21Å; F437-I439 HydrophobicContact CD1-CD1 4.16Å; F437-I439 HydrophobicContact CD1-CG1 3.73Å; F437-I439 HydrophobicContact CE1-CD1 4.18Å; F437-I439 HydrophobicContact CE1-CG1 3.76Å; F437-D572 HydrophobicContact CD2-CB 4.13Å; F437-D572 HydrophobicContact CE1-CB 4.2Å; F437-D572 HydrophobicContact CE2-CB 3.77Å; F437-D572 HydrophobicContact CZ-CB 3.82Å; F437-F573 HydrophobicContact CE1-CB 3.87Å; F437-F573 HydrophobicContact CZ-CB 4.12Å; F437-M590 HydrophobicContact CE1-CG 3.92Å; F437-M590 HydrophobicContact CE1-SD 4.05Å; F437-M590 HydrophobicContact CZ-CG 4.29Å; F437-M590 HydrophobicContact CZ-SD 3.79Å; F437-I594 HydrophobicContact CB-CD1 3.91Å; F437-I594 HydrophobicContact CB-CG1 4.38Å; F437-I594 HydrophobicContact CB-CG2 4.38Å; F437-I594 HydrophobicContact CD1-CD1 3.28Å; F437-I594 HydrophobicContact CD1-CG1 3.94Å; F437-I594 HydrophobicContact CD2-CD1 3.97Å; F437-I594 HydrophobicContact CD2-CG1 3.72Å; F437-I594 HydrophobicContact CE1-CD1 3.67Å; F437-I594 HydrophobicContact CE1-CG1 4.08Å; F437-I594 HydrophobicContact CE2-CD1 4.32Å; F437-I594 HydrophobicContact CE2-CG1 3.89Å; F437-I594 HydrophobicContact CG-CD1 3.43Å; F437-I594 VanDerWaalsContact CG-CD1 3.43Å; F437-I594 HydrophobicContact CG-CG1 3.74Å; F437-I594 HydrophobicContact CZ-CD1 4.18Å; F437-I594 HydrophobicContact CZ-CG1 4.06Å; F437-F599 AromaticContact CE2-CD1 3.58Å; F437-F599 HydrophobicContact CE2-CD1 3.58Å; F437-F599 AromaticContact CE2-CE1 3.63Å; F437-F599 HydrophobicContact CE2-CE1 3.63Å; F437-F599 HydrophobicContact CE2-CG 4.02Å; F437-F599 HydrophobicContact CE2-CZ 4.16Å; F437-F599 HydrophobicContact CZ-CD1 4.34Å; F437-F599 HydrophobicContact CZ-CE1 4.01Å
438	I	96.3	Very high	92.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.4	-169.4	-59.8	165.9	0	0	0	109.5	V326 V328 L426 R430 P436 L570 W571 D572 F573	V326-I438 HydrophobicContact CB-CG1 4.23Å; V326-I438 WeakPolarHBondContact O-CA 3.41Å; V328-I438 HydrophobicContact CG2-CG2 4.14Å; L426-I438 HydrophobicContact CD1-CG2 4.45Å; L426-I438 HydrophobicContact CD2-CD1 3.88Å; L426-I438 HydrophobicContact CD2-CG1 4.3Å; L426-I438 HydrophobicContact CD2-CG2 3.91Å; R430-I438 HydrophobicContact CG-CD1 3.9Å; P436-I438 HydrophobicContact CB-CG1 4.19Å; P436-I438 HydrophobicContact CG-CD1 4.25Å; P436-I438 HydrophobicContact CG-CG1 4.26Å; I438-L570 WeakPolarHBondContact CD1-O 3.23Å; I438-W571 HydrophobicContact CB-CB 4.18Å; I438-W571 HydrophobicContact CG2-CB 3.65Å; I438-W571 WeakPolarHBondContact O-CB 3.47Å; I438-D572 PolarHBondContact N-OD2 3.47Å; I438-D572 VanDerWaalsContact N-OD2 3.1Å; I438-D572 PolarHBondContact O-N 3.05Å; I438-F573 PolarHBondContact O-N 3.5Å
439	I	97	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.5	179.6	-57.2	179	0	0	0	109.4	I325 V326 L327 V328 F437 F573 L575 L587 M590	I325-I439 HydrophobicContact CG2-CD1 3.72Å; I325-I439 HydrophobicContact CG2-CG1 4.4Å; V326-I439 PolarHBondContact O-N 3.23Å; L327-I439 WeakPolarHBondContact CA-O 3.47Å; L327-I439 HydrophobicContact CD2-CB 3.69Å; L327-I439 HydrophobicContact CD2-CD1 4.12Å; L327-I439 HydrophobicContact CD2-CG1 4.34Å; L327-I439 HydrophobicContact CD2-CG2 4.07Å; V328-I439 PolarHBondContact N-O 2.93Å; F437-I439 HydrophobicContact CD1-CD1 4.16Å; F437-I439 HydrophobicContact CD1-CG1 3.73Å; F437-I439 HydrophobicContact CE1-CD1 4.18Å; F437-I439 HydrophobicContact CE1-CG1 3.76Å; I439-F573 WeakPolarHBondContact CA-O 3.38Å; I439-F573 HydrophobicContact CG1-CB 4.35Å; I439-F573 HydrophobicContact CG2-CD1 4.03Å; I439-L575 HydrophobicContact CG2-CB 3.83Å; I439-L587 HydrophobicContact CD1-CD1 3.6Å; I439-M590 HydrophobicContact CD1-CG 4.27Å
440	F	97	Very high	92	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.7	171.9	-178.4	-110.6	0	0	0	110.8	V328 K442 A560 L563 E564 W571 F573 V574 L575	V328-F440 CarbonylContact O-C 3.55Å; V328-F440 VanDerWaalsContact O-CA 3.29Å; V328-F440 WeakPolarHBondContact O-CA 3.46Å; V328-F440 WeakPolarHBondContact O-CD2 3.37Å; F440-K442 HydrophobicContact CD1-CB 4.09Å; F440-K442 HydrophobicContact CE1-CB 3.86Å; F440-K442 HydrophobicContact CE1-CG 4Å; F440-K442 PolarHBondContact O-N 3.49Å; F440-A560 HydrophobicContact CZ-CB 4.19Å; F440-L563 HydrophobicContact CE2-CB 4.05Å; F440-L563 HydrophobicContact CE2-CD1 4.02Å; F440-L563 HydrophobicContact CZ-CB 4.24Å; F440-E564 HydrophobicContact CD1-CG 4.43Å; F440-E564 HydrophobicContact CE1-CG 3.79Å; F440-E564 HydrophobicContact CZ-CG 4.29Å; F440-W571 HydrophobicContact CB-CB 4.23Å; F440-W571 HydrophobicContact CB-CD2 3.54Å; F440-W571 HydrophobicContact CB-CE3 4.01Å; F440-W571 HydrophobicContact CB-CG 3.69Å; F440-W571 HydrophobicContact CB-CH2 4.49Å; F440-W571 HydrophobicContact CB-CZ2 4.1Å; F440-W571 HydrophobicContact CB-CZ3 4.47Å; F440-W571 HydrophobicContact CD1-CH2 4.22Å; F440-W571 AromaticContact CD1-CZ2 3.79Å; F440-W571 HydrophobicContact CD1-CZ2 3.79Å; F440-W571 HydrophobicContact CD2-CD2 4.32Å; F440-W571 HydrophobicContact CD2-CE3 4.03Å; F440-W571 AromaticContact CD2-CH2 3.67Å; F440-W571 HydrophobicContact CD2-CH2 3.67Å; F440-W571 HydrophobicContact CD2-CZ2 4.01Å; F440-W571 AromaticContact CD2-CZ3 3.71Å; F440-W571 HydrophobicContact CD2-CZ3 3.71Å; F440-W571 HydrophobicContact CE1-CH2 4.37Å; F440-W571 HydrophobicContact CE1-CZ2 4.18Å; F440-W571 AromaticContact CE2-CH2 3.83Å; F440-W571 HydrophobicContact CE2-CH2 3.83Å; F440-W571 HydrophobicContact CE2-CZ2 4.37Å; F440-W571 HydrophobicContact CE2-CZ3 4.13Å; F440-W571 AromaticContact CG-CD2 4Å; F440-W571 HydrophobicContact CG-CD2 4Å; F440-W571 AromaticContact CG-CE2 3.77Å; F440-W571 HydrophobicContact CG-CE3 4.18Å; F440-W571 AromaticContact CG-CH2 3.88Å; F440-W571 HydrophobicContact CG-CH2 3.88Å; F440-W571 AromaticContact CG-CZ2 3.7Å; F440-W571 HydrophobicContact CG-CZ2 3.7Å; F440-W571 HydrophobicContact CG-CZ3 4.14Å; F440-W571 HydrophobicContact CZ-CH2 4.18Å; F440-W571 HydrophobicContact CZ-CZ2 4.45Å; F440-F573 PolarHBondContact N-O 3.07Å; F440-V574 HydrophobicContact CB-CG2 4.4Å; F440-V574 HydrophobicContact CD1-CG1 4.16Å; F440-V574 HydrophobicContact CD1-CG2 4.4Å; F440-V574 CarbonylContact O-C 3.58Å; F440-V574 WeakPolarHBondContact O-CA 3.5Å; F440-L575 PolarHBondContact O-N 3.32Å
441	V	97.2	Very high	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.8	175.6	-170.9	0	0	0	0	108.9	L327 V328 V333 K335 L338 L575 N577	L327-V441 HydrophobicContact CB-CG2 4.28Å; L327-V441 HydrophobicContact CD1-CG2 4.24Å; L327-V441 HydrophobicContact CD2-CG2 4.35Å; V328-V441 PolarHBondContact O-N 3.43Å; V333-V441 HydrophobicContact CG1-CB 4.04Å; V333-V441 HydrophobicContact CG1-CG1 3.85Å; V333-V441 HydrophobicContact CG2-CG1 4.02Å; K335-V441 HydrophobicContact CG-CB 4.1Å; K335-V441 HydrophobicContact CG-CG2 4.09Å; L338-V441 HydrophobicContact CD1-CG1 3.96Å; L338-V441 HydrophobicContact CD1-CG2 4.32Å; V441-L575 CarbonylContact C-O 3.48Å; V441-L575 WeakPolarHBondContact CA-O 3.45Å; V441-N577 HydrophobicContact CG1-CB 3.87Å
442	K	95.7	Very high	90.6	Very high	60 Å²	60	36.5 Å²	36.5	26%	0.261	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.2	-175.7	-168.4	-172.9	-178.1	147.6	0	110.6	F440 E564 V574 L575 I576 N577	F440-K442 HydrophobicContact CD1-CB 4.09Å; F440-K442 HydrophobicContact CE1-CB 3.86Å; F440-K442 HydrophobicContact CE1-CG 4Å; F440-K442 PolarHBondContact O-N 3.49Å; K442-E564 WeakPolarHBondContact CD-OE1 2.97Å; K442-E564 WeakPolarHBondContact CE-OE1 3.48Å; K442-E564 IonicContact NZ-OE1 3.82Å; K442-E564 PolarHBondContact NZ-OE1 2.82Å; K442-E564 IonicContact NZ-OE2 3.56Å; K442-E564 PolarHBondContact NZ-OE2 3.38Å; K442-V574 HydrophobicContact CB-CG1 4.01Å; K442-V574 HydrophobicContact CD-CG1 4.28Å; K442-L575 PolarHBondContact N-O 2.79Å; K442-I576 HydrophobicContact CB-CG1 4.46Å; K442-I576 HydrophobicContact CD-CG1 4.43Å; K442-I576 WeakPolarHBondContact O-CA 3.17Å; K442-N577 PolarHBondContact O-N 2.89Å
443	P	94	Very high	89.8	Confident	6 Å²	6	39 Å²	39	4%	0.039	20%	0.202	C	C	.	.			trans	-66.5	150.4	168.2	28.3	-33.9	0	0	0	111.1	V333 L449 M556 I557 A560	V333-P443 HydrophobicContact CG2-CB 4.13Å; P443-L449 HydrophobicContact CB-CD1 4.03Å; P443-L449 HydrophobicContact CB-CD2 4.45Å; P443-L449 HydrophobicContact CB-CG 4.47Å; P443-M556 HydrophobicContact CB-CG 4.27Å; P443-M556 HydrophobicContact CB-SD 3.86Å; P443-M556 HydrophobicContact CG-CG 4.2Å; P443-M556 HydrophobicContact CG-SD 4.43Å; P443-I557 HydrophobicContact CB-CG1 4.48Å; P443-I557 HydrophobicContact CG-CG1 4.26Å; P443-A560 HydrophobicContact CG-CB 3.74Å
444	P	92.6	Very high	88.5	Confident	13 Å²	13	39.5 Å²	39.5	8%	0.084	20%	0.198	C	C	.	.			trans	-71.3	-175.4	170.3	35.7	-38.9	0	0	0	110.7	V448 L449 I576 N577 D578	P444-V448 HydrophobicContact CB-CB 3.96Å; P444-V448 HydrophobicContact CB-CG1 3.76Å; P444-V448 HydrophobicContact CG-CB 4.19Å; P444-V448 HydrophobicContact CG-CG1 3.88Å; P444-L449 VanDerWaalsContact CD-CD2 3.5Å; P444-L449 HydrophobicContact CG-CB 4.43Å; P444-L449 HydrophobicContact CG-CD2 3.68Å; P444-L449 HydrophobicContact CG-CG 3.67Å; P444-I576 HydrophobicContact CB-CG2 4.16Å; P444-N577 WeakPolarHBondContact CD-O 3.28Å; P444-D578 HydrophobicContact CB-CB 3.81Å; P444-D578 HydrophobicContact CG-CB 4.16Å
445	T	91.2	Very high	86.9	Confident	90 Å²	90	41.8 Å²	41.8	55%	0.552	22%	0.215	S	C	*	.			trans	-61.1	157.9	173.7	57.3	0	0	0	0	111	D447 V448 L449	T445-D447 VanDerWaalsContact C-N 3.28Å; T445-D447 PolarHBondContact O-N 3.02Å; T445-V448 PolarHBondContact O-N 3.04Å; T445-V448 VanDerWaalsContact O-N 3.17Å; T445-V448 WeakPolarHBondContact OG1-CG2 3.02Å; T445-L449 PolarHBondContact O-N 3.2Å
446	F	88.1	Confident	85.1	Confident	46 Å²	46	48 Å²	48	20%	0.202	24%	0.238	C	C	.	.	H	α-helix	trans	-54.5	-43.6	-177.2	-177.7	-96	0	0	0	112.7	V448 L449 L450 E550 F553 H554 I557	F446-V448 PolarHBondContact O-N 3.36Å; F446-L449 WeakPolarHBondContact O-CB 3.22Å; F446-L449 PolarHBondContact O-N 2.81Å; F446-L450 WeakPolarHBondContact O-CB 3.38Å; F446-L450 PolarHBondContact O-N 2.95Å; F446-E550 HydrophobicContact CZ-CB 4.25Å; F446-E550 HydrophobicContact CZ-CG 4.19Å; F446-F553 HydrophobicContact CD2-CB 4.15Å; F446-F553 HydrophobicContact CE2-CB 3.96Å; F446-H554 AromaticContact CD2-CE1 3.62Å; F446-H554 AromaticContact CD2-ND1 3.86Å; F446-H554 AromaticContact CD2-NE2 3.87Å; F446-H554 AromaticContact CE2-CD2 3.52Å; F446-H554 AromaticContact CE2-CE1 3.58Å; F446-H554 AromaticContact CE2-CG 3.93Å; F446-H554 AromaticContact CE2-ND1 3.96Å; F446-H554 AromaticContact CE2-NE2 3.32Å; F446-H554 VanDerWaalsContact CE2-NE2 3.32Å; F446-H554 WeakPolarHBondContact CE2-NE2 3.46Å; F446-H554 AromaticContact CZ-NE2 3.54Å; F446-I557 HydrophobicContact CB-CD1 3.71Å; F446-I557 HydrophobicContact CD2-CD1 4.11Å; F446-I557 HydrophobicContact CG-CD1 4.44Å
447	D	86.3	Confident	82.9	Confident	120 Å²	120	53.6 Å²	53.6	64%	0.642	27%	0.268	S	S	*	.	H	α-helix	trans	-62.7	-42.6	-179	-55.1	-42	0	0	0	111.8	T445 L450 E451	T445-D447 VanDerWaalsContact C-N 3.28Å; T445-D447 PolarHBondContact O-N 3.02Å; D447-L450 PolarHBondContact O-N 3.24Å; D447-E451 PolarHBondContact O-N 2.97Å
448	V	86	Confident	80.3	Confident	46 Å²	46	60.1 Å²	60.1	28%	0.279	30%	0.299	S	S	.	.	H	α-helix	trans	-69.3	-40.8	178.5	176.9	0	0	0	0	111.1	P444 T445 F446 L450 E451 T452 D578	P444-V448 HydrophobicContact CB-CB 3.96Å; P444-V448 HydrophobicContact CB-CG1 3.76Å; P444-V448 HydrophobicContact CG-CB 4.19Å; P444-V448 HydrophobicContact CG-CG1 3.88Å; T445-V448 PolarHBondContact O-N 3.04Å; T445-V448 VanDerWaalsContact O-N 3.17Å; T445-V448 WeakPolarHBondContact OG1-CG2 3.02Å; F446-V448 PolarHBondContact O-N 3.36Å; V448-L450 VanDerWaalsContact C-N 3.28Å; V448-L450 PolarHBondContact O-N 2.76Å; V448-E451 PolarHBondContact O-N 3.06Å; V448-T452 HydrophobicContact CG1-CG2 4.11Å; V448-T452 WeakPolarHBondContact O-CB 3.18Å; V448-T452 WeakPolarHBondContact O-CG2 3.09Å; V448-T452 PolarHBondContact O-N 2.55Å; V448-T452 PolarHBondContact O-OG1 3.07Å; V448-D578 HydrophobicContact CG1-CB 3.96Å
449	L	83	Confident	77.8	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-57.7	-42.3	173.6	-89.8	-173.7	0	0	0	112	P443 P444 T445 F446 T452 R453 F553 M556 I557	P443-L449 HydrophobicContact CB-CD1 4.03Å; P443-L449 HydrophobicContact CB-CD2 4.45Å; P443-L449 HydrophobicContact CB-CG 4.47Å; P444-L449 VanDerWaalsContact CD-CD2 3.5Å; P444-L449 HydrophobicContact CG-CB 4.43Å; P444-L449 HydrophobicContact CG-CD2 3.68Å; P444-L449 HydrophobicContact CG-CG 3.67Å; T445-L449 PolarHBondContact O-N 3.2Å; F446-L449 WeakPolarHBondContact O-CB 3.22Å; F446-L449 PolarHBondContact O-N 2.81Å; L449-T452 PolarHBondContact O-OG1 2.9Å; L449-R453 WeakPolarHBondContact O-CG 3.32Å; L449-R453 PolarHBondContact O-N 3.34Å; L449-F553 HydrophobicContact CD1-CB 4.07Å; L449-F553 HydrophobicContact CD1-CG 4.34Å; L449-M556 HydrophobicContact CD1-SD 4.39Å; L449-I557 HydrophobicContact CD1-CD1 4.02Å; L449-I557 HydrophobicContact CD1-CG1 4.04Å
450	L	82	Confident	75.2	Confident	37 Å²	37	72.3 Å²	72.3	19%	0.194	36%	0.362	C	S	.	.	H	α-helix	trans	-67.6	-47.5	-178.7	-170.8	66.6	0	0	0	110.8	F446 D447 V448 Q454 E550 F553	F446-L450 WeakPolarHBondContact O-CB 3.38Å; F446-L450 PolarHBondContact O-N 2.95Å; D447-L450 PolarHBondContact O-N 3.24Å; V448-L450 VanDerWaalsContact C-N 3.28Å; V448-L450 PolarHBondContact O-N 2.76Å; L450-Q454 WeakPolarHBondContact O-CB 3.41Å; L450-Q454 WeakPolarHBondContact O-CG 3.2Å; L450-Q454 PolarHBondContact O-N 2.95Å; L450-E550 HydrophobicContact CD1-CG 4.18Å; L450-F553 HydrophobicContact CD1-CD2 4.47Å; L450-F553 HydrophobicContact CD1-CE2 4.21Å
451	E	80.5	Confident	72.3	Confident	136 Å²	136	75.9 Å²	75.9	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-62	-48.7	-179.2	-176	176.1	-172	0	0	112.6	D447 V448 R453 Q454 S455	D447-E451 PolarHBondContact O-N 2.97Å; V448-E451 PolarHBondContact O-N 3.06Å; E451-R453 VanDerWaalsContact C-N 3.32Å; E451-R453 PolarHBondContact O-N 2.83Å; E451-Q454 PolarHBondContact O-N 2.81Å; E451-S455 WeakPolarHBondContact O-CB 3.39Å; E451-S455 PolarHBondContact O-N 2.87Å; E451-S455 PolarHBondContact O-OG 3.37Å
452	T	75.4	Confident	69.3	Low	46 Å²	46	83 Å²	83	28%	0.282	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-33.8	-176.2	52.5	0	0	0	0	112.6	V448 L449 S455 Y456 D578	V448-T452 HydrophobicContact CG1-CG2 4.11Å; V448-T452 WeakPolarHBondContact O-CB 3.18Å; V448-T452 WeakPolarHBondContact O-CG2 3.09Å; V448-T452 PolarHBondContact O-N 2.55Å; V448-T452 PolarHBondContact O-OG1 3.07Å; L449-T452 PolarHBondContact O-OG1 2.9Å; T452-S455 WeakPolarHBondContact CA-OG 3.22Å; T452-S455 PolarHBondContact O-OG 2.87Å; T452-S455 VanDerWaalsContact O-OG 3.05Å; T452-Y456 PolarHBondContact O-N 3.18Å; T452-D578 WeakPolarHBondContact CG2-O 3.38Å
453	R	72.9	Confident	66.1	Low	80 Å²	80	84.3 Å²	84.3	30%	0.302	44%	0.441	S	S	.	.	H	α-helix	trans	-86.7	-30.8	179.7	-66.3	-179	-179	-146	2.6	113.5	G332 L449 E451 Y456 N457 F553	G332-R453 PolarHBondContact O-NH2 2.93Å; L449-R453 WeakPolarHBondContact O-CG 3.32Å; L449-R453 PolarHBondContact O-N 3.34Å; E451-R453 VanDerWaalsContact C-N 3.32Å; E451-R453 PolarHBondContact O-N 2.83Å; R453-Y456 PolarHBondContact O-N 3.16Å; R453-N457 PolarHBondContact O-N 3.11Å; R453-F553 HydrophobicContact CB-CZ 4.26Å; R453-F553 VanDerWaalsContact CD-CE1 3.42Å; R453-F553 HydrophobicContact CG-CZ 4.36Å
454	Q	65.4	Low	62.9	Low	96 Å²	96	91.6 Å²	91.6	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-40.8	171	-75.5	178.1	3	0	0	111.6	L450 E451 Y456 N457 H458	L450-Q454 WeakPolarHBondContact O-CB 3.41Å; L450-Q454 WeakPolarHBondContact O-CG 3.2Å; L450-Q454 PolarHBondContact O-N 2.95Å; E451-Q454 PolarHBondContact O-N 2.81Å; Q454-Y456 VanDerWaalsContact C-N 3.32Å; Q454-Y456 PolarHBondContact O-N 2.81Å; Q454-N457 PolarHBondContact O-N 3.07Å; Q454-H458 PolarHBondContact O-CD2 3.39Å; Q454-H458 PolarHBondContact O-N 3.25Å; Q454-H458 VanDerWaalsContact O-N 3.17Å
455	S	58.7	Low	59.8	Low	54 Å²	54	96.6 Å²	96.6	38%	0.378	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-29.3	177.6	47.2	0	0	0	0	113	E451 T452 K459	E451-S455 WeakPolarHBondContact O-CB 3.39Å; E451-S455 PolarHBondContact O-N 2.87Å; E451-S455 PolarHBondContact O-OG 3.37Å; T452-S455 WeakPolarHBondContact CA-OG 3.22Å; T452-S455 PolarHBondContact O-OG 2.87Å; T452-S455 VanDerWaalsContact O-OG 3.05Å; S455-K459 WeakPolarHBondContact O-CG 3.33Å; S455-K459 PolarHBondContact O-N 2.97Å
456	Y	55.1	Low	56.7	Low	171 Å²	171	98.2 Å²	98.2	67%	0.671	52%	0.522	S	S	*	.	H	α-helix	trans	-68.3	-42.1	171.8	-149	-88.9	0	0	0	112.5	T452 R453 Q454 H458 K459 S460	T452-Y456 PolarHBondContact O-N 3.18Å; R453-Y456 PolarHBondContact O-N 3.16Å; Q454-Y456 VanDerWaalsContact C-N 3.32Å; Q454-Y456 PolarHBondContact O-N 2.81Å; Y456-H458 VanDerWaalsContact C-N 3.33Å; Y456-H458 PolarHBondContact O-N 2.9Å; Y456-K459 PolarHBondContact O-N 2.93Å; Y456-S460 PolarHBondContact O-N 2.8Å; Y456-S460 VanDerWaalsContact O-N 3.15Å
457	N	49.8	Very low	54	Low	119 Å²	119	102.5 Å²	102.5	64%	0.636	55%	0.553	S	S	*	*	H	α-helix	trans	-63	-37.3	176.4	-74.7	-25.4	0	0	0	112.5	R453 Q454 S460 S461	R453-N457 PolarHBondContact O-N 3.11Å; Q454-N457 PolarHBondContact O-N 3.07Å; N457-S460 PolarHBondContact O-N 2.8Å; N457-S461 PolarHBondContact O-N 3.19Å; N457-S461 PolarHBondContact O-OG 3.03Å
458	H	42.8	Very low	51.3	Low	139 Å²	139	103.2 Å²	103.2	64%	0.644	56%	0.555	S	S	*	*	H	α-helix	trans	-70.4	-28.8	176.2	-86.2	-61.5	0	0	0	114.1	Q454 Y456 S461	Q454-H458 PolarHBondContact O-CD2 3.39Å; Q454-H458 PolarHBondContact O-N 3.25Å; Q454-H458 VanDerWaalsContact O-N 3.17Å; Y456-H458 VanDerWaalsContact C-N 3.33Å; Y456-H458 PolarHBondContact O-N 2.9Å; H458-S461 PolarHBondContact O-OG 2.9Å
459	K	43.8	Very low	48.7	Very low	168 Å²	168	107.4 Å²	107.4	73%	0.73	58%	0.576	S	S	*	*	H	α-helix	trans	-75.8	-33.4	175.4	-74	177.5	-178.3	174.8	0	112.1	S455 Y456	S455-K459 WeakPolarHBondContact O-CG 3.33Å; S455-K459 PolarHBondContact O-N 2.97Å; Y456-K459 PolarHBondContact O-N 2.93Å
460	S	41.7	Very low	46.1	Very low	87 Å²	87	114 Å²	114	61%	0.608	61%	0.611	S	S	*	*	H	α-helix	trans	-74.7	-21.7	177.1	-170.7	0	0	0	0	114	Y456 N457	Y456-S460 PolarHBondContact O-N 2.8Å; Y456-S460 VanDerWaalsContact O-N 3.15Å; N457-S460 PolarHBondContact O-N 2.8Å
461	S	36.7	Very low	43.5	Very low	75 Å²	75	117.6 Å²	117.6	52%	0.524	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.6	-4.9	-178.4	60.8	0	0	0	0	114.9	N457 H458	N457-S461 PolarHBondContact O-N 3.19Å; N457-S461 PolarHBondContact O-OG 3.03Å; H458-S461 PolarHBondContact O-OG 2.9Å
462	N	34.2	Very low	40.9	Very low	149 Å²	149	117.8 Å²	117.8	80%	0.797	65%	0.646	S	S	*	*	S	Bend	trans	-113.5	16.5	-172	-108.1	4.3	0	0	0	115
463	C	27.9	Very low	38.7	Very low	89 Å²	89	121.1 Å²	121.1	60%	0.601	67%	0.67	S	S	*	*			trans	-121.7	67	176.6	54.3	0	0	0	0	112.6
464	N	27.2	Very low	36.5	Very low	158 Å²	158	123.6 Å²	123.6	85%	0.845	70%	0.695	S	S	*	*			trans	-103.9	83.1	162.2	-75.8	-26.7	0	0	0	109.4
465	T	28	Very low	34.7	Very low	119 Å²	119	125.2 Å²	125.2	73%	0.73	71%	0.711	S	S	*	*			trans	-133	112.5	163.8	40.8	0	0	0	0	109	T467	T465-T467 PolarHBondContact O-N 3.09Å
466	P	25.6	Very low	33.2	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	73%	0.731	S	S	*	*			trans	-77.6	118.6	179	31.5	-28.6	0	0	0	108
467	T	31.8	Very low	32	Very low	137 Å²	137	130.3 Å²	130.3	84%	0.84	74%	0.739	S	S	*	*			trans	-114.3	114	168.9	-36.9	0	0	0	0	108.3	T465	T465-T467 PolarHBondContact O-N 3.09Å
468	I	29.6	Very low	31	Very low	134 Å²	134	129.7 Å²	129.7	69%	0.687	74%	0.744	S	S	*	*			trans	-86.3	143.1	-179.5	-74.7	169.7	0	0	0	108.5
469	N	29.6	Very low	30.7	Very low	134 Å²	134	128.2 Å²	128.2	72%	0.717	75%	0.747	S	S	*	*			trans	80.5	114	170.3	-54.4	-23.6	0	0	0	117
470	D	28.8	Very low	30.4	Very low	143 Å²	143	125 Å²	125	77%	0.765	74%	0.741	S	S	*	*				-170.6	127	87.3	-107.5	-34.2	0	0	0	114.1
471	T	28.6	Very low	30.6	Very low	112 Å²	112	125.5 Å²	125.5	69%	0.687	73%	0.734	S	S	*	*			trans	38.4	109.1	138.9	35	0	0	0	0	121.8
472	T	25.2	Very low	31.1	Very low	141 Å²	141	122.6 Å²	122.6	87%	0.865	71%	0.714	S	S	*	*			trans	38.7	95.4	132.9	47.4	0	0	0	0	117.9
473	S	28.7	Very low	31.7	Very low	115 Å²	115	118.5 Å²	118.5	80%	0.804	69%	0.694	S	S	*	*			trans	-129.8	128.9	150.4	56.8	0	0	0	0	109.8
474	T	27.9	Very low	32.5	Very low	133 Å²	133	114.8 Å²	114.8	82%	0.816	67%	0.669	S	S	*	*			trans	-57.7	129.9	-177.9	33.6	0	0	0	0	112.2	E476	T474-E476 PolarHBondContact O-N 3.5Å
475	V	28.1	Very low	33.5	Very low	129 Å²	129	111.5 Å²	111.5	78%	0.782	66%	0.655	S	S	*	*			trans	-67.2	97	168.1	178	0	0	0	0	108	L477	V475-L477 HydrophobicContact CG1-CG 4.35Å; V475-L477 PolarHBondContact O-N 3.14Å
476	E	27.2	Very low	34.4	Very low	171 Å²	171	111 Å²	111	80%	0.799	65%	0.651	S	S	*	*			trans	-80.5	104.4	163.7	-91.8	-175.6	156.6	0	0	108.7	T474 S478	T474-E476 PolarHBondContact O-N 3.5Å; E476-S478 PolarHBondContact O-N 3.09Å
477	L	28.5	Very low	35.1	Very low	161 Å²	161	107.1 Å²	107.1	84%	0.843	63%	0.626	S	S	*	*			trans	-68.4	101.7	164.4	-74.9	150.8	0	0	0	108.3	V475	V475-L477 HydrophobicContact CG1-CG 4.35Å; V475-L477 PolarHBondContact O-N 3.14Å
478	S	29.5	Very low	35.5	Very low	106 Å²	106	107 Å²	107	74%	0.741	62%	0.616	S	S	*	*			trans	-102	118.2	167.3	-56.6	0	0	0	0	108.9	E476	E476-S478 PolarHBondContact O-N 3.09Å
479	P	36.2	Very low	35.5	Very low	109 Å²	109	109 Å²	109	71%	0.708	63%	0.627	S	S	*	*			trans	-91.7	152.5	-170.1	36.7	-33.1	0	0	0	111.1
480	T	38.3	Very low	35.6	Very low	99 Å²	99	106.9 Å²	106.9	61%	0.607	62%	0.619	S	S	*	*			trans	165	64.6	133.8	44.6	0	0	0	0	109.5	R351	R351-T480 PolarHBondContact NH2-OG1 3.46Å
481	H	44.7	Very low	35.5	Very low	98 Å²	98	108.2 Å²	108.2	45%	0.454	63%	0.626	S	S	.	*			trans	-68.1	121.7	156.1	-90.8	-67	0	0	0	107.2	I354 G368 V369 V483	I354-H481 HydrophobicContact CD1-CB 3.4Å; I354-H481 VanDerWaalsContact CD1-CB 3.4Å; I354-H481 HydrophobicContact CG1-CB 4.25Å; G368-H481 VanDerWaalsContact O-CB 3.28Å; G368-H481 WeakPolarHBondContact O-CB 3.42Å; V369-H481 PolarHBondContact O-CE1 2.89Å; V369-H481 PolarHBondContact O-ND1 3.1Å; H481-V483 PolarHBondContact O-N 2.9Å
482	S	47.5	Very low	35.8	Very low	14 Å²	14	112.8 Å²	112.8	10%	0.098	63%	0.631	C	S	.	*			trans	-67.7	109.2	174.2	22	0	0	0	0	108.9	I354 E409	I354-S482 WeakPolarHBondContact CD1-O 3.41Å; E409-S482 WeakPolarHBondContact OE2-CB 3.49Å
483	V	46.1	Very low	36	Very low	64 Å²	64	111 Å²	111	39%	0.388	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-93.2	120.6	179.5	-175.3	0	0	0	0	107.7	I354 L372 H481 T485	I354-V483 HydrophobicContact CD1-CG2 4.49Å; L372-V483 HydrophobicContact CD1-CG1 3.79Å; H481-V483 PolarHBondContact O-N 2.9Å; V483-T485 PolarHBondContact O-N 2.88Å; V483-T485 VanDerWaalsContact O-N 3.09Å
484	P	45.5	Very low	36.4	Very low	11 Å²	11	111.9 Å²	111.9	7%	0.071	61%	0.614	C	S	.	*	P	Polyproline II helix	trans	-55.2	120.3	173.8	-19.1	28.3	0	0	0	109.4	L372 C403 A406	L372-P484 HydrophobicContact CD2-CB 4.22Å; L372-P484 HydrophobicContact CD2-CG 4.06Å; C403-P484 HydrophobicContact CB-CB 4.31Å; C403-P484 HydrophobicContact CB-CG 4.15Å; A406-P484 HydrophobicContact CB-CG 4.35Å
485	T	49.3	Very low	36.4	Very low	89 Å²	89	109 Å²	109	55%	0.546	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-75.4	149.7	165	37.8	0	0	0	0	108.5	V483	V483-T485 PolarHBondContact O-N 2.88Å; V483-T485 VanDerWaalsContact O-N 3.09Å
486	T	46.2	Very low	36.5	Very low	108 Å²	108	105.5 Å²	105.5	66%	0.663	60%	0.601	S	S	*	*	S	Bend	trans	-36.8	138.3	174.8	13.5	0	0	0	0	111.5	H488	T486-H488 PolarHBondContact O-N 3.2Å
487	P	40.1	Very low	36.4	Very low	41 Å²	41	103 Å²	103	27%	0.266	60%	0.601	S	S	.	*			trans	-55.1	106.5	-172.1	20.2	-29.8	0	0	0	109.6	F382 L489	F382-P487 HydrophobicContact CD1-CG 4.35Å; F382-P487 HydrophobicContact CE1-CG 4.28Å; P487-L489 PolarHBondContact O-N 3.37Å; P487-L489 VanDerWaalsContact O-N 3.15Å
488	H	39.8	Very low	36.3	Very low	135 Å²	135	105 Å²	105	63%	0.625	60%	0.603	S	S	*	*			trans	-75.9	106.2	172.5	-81.1	-60.6	0	0	0	106.6	T486 T490	T486-H488 PolarHBondContact O-N 3.2Å; H488-T490 HydrophobicContact CB-CG2 4.42Å; H488-T490 PolarHBondContact O-N 3.13Å
489	L	30	Very low	36.1	Very low	176 Å²	176	105.4 Å²	105.4	92%	0.921	60%	0.601	S	S	*	*			trans	-58.3	78.5	163.6	-76.7	159.3	0	0	0	109	P487	P487-L489 PolarHBondContact O-N 3.37Å; P487-L489 VanDerWaalsContact O-N 3.15Å
490	T	31.7	Very low	35.7	Very low	90 Å²	90	104.4 Å²	104.4	55%	0.552	60%	0.595	S	S	*	*			trans	-130.5	105.3	171.1	59	0	0	0	0	109.1	H488 R492	H488-T490 HydrophobicContact CB-CG2 4.42Å; H488-T490 PolarHBondContact O-N 3.13Å; T490-R492 PolarHBondContact O-N 3.39Å
491	N	26.5	Very low	35.1	Very low	171 Å²	171	106.3 Å²	106.3	91%	0.914	61%	0.606	S	S	*	*			trans	-49.4	101.5	160.7	-84.5	-9	0	0	0	108.9
492	R	35.9	Very low	34.1	Very low	208 Å²	208	112 Å²	112	79%	0.785	62%	0.623	S	S	*	*			trans	-142.9	103.1	174	-76.5	-163.4	172.5	179.5	-0.6	113.9	T490 I494	T490-R492 PolarHBondContact O-N 3.39Å; R492-I494 PolarHBondContact O-N 3.39Å
493	T	28.1	Very low	33.1	Very low	104 Å²	104	119.2 Å²	119.2	64%	0.638	66%	0.661	S	S	*	*			trans	-48.4	115.2	148.8	-35.6	0	0	0	0	109.8	G495	T493-G495 PolarHBondContact O-N 3.43Å
494	I	36.7	Very low	32.2	Very low	133 Å²	133	121.4 Å²	121.4	68%	0.682	68%	0.679	S	S	*	*			trans	-92.8	83.7	168.6	-57.4	179.5	0	0	0	107.5	R492	R492-I494 PolarHBondContact O-N 3.39Å
495	G	27.8	Very low	31.2	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	72%	0.715	S	S	*	*			trans	-105.6	101.3	162.4	0	0	0	0	0	108.1	T493	T493-G495 PolarHBondContact O-N 3.43Å
496	G	30.3	Very low	30	Very low	55 Å²	55	132.6 Å²	132.6	57%	0.567	72%	0.724	S	S	*	*			trans	-159.7	80.6	-172.6	0	0	0	0	0	113.2
497	C	24.8	Very low	29	Very low	119 Å²	119	140.2 Å²	140.2	80%	0.804	74%	0.741	S	S	*	*			trans	-35.7	124	165.5	178.7	0	0	0	0	114.3
498	F	28.1	Very low	28.3	Very low	203 Å²	203	148.9 Å²	148.9	89%	0.89	77%	0.768	S	S	*	*			trans	-139.7	133	159.1	-83.5	-79.5	0	0	0	112.2
499	T	24.1	Very low	27.5	Very low	115 Å²	115	151.7 Å²	151.7	71%	0.706	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.1	137.5	-178.5	47.5	0	0	0	0	112.1
500	P	28.2	Very low	27.4	Very low	87 Å²	87	149.9 Å²	149.9	57%	0.565	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-81.2	129.1	173	-1.2	18.5	0	0	0	111	E319	E319-P500 HydrophobicContact CB-CB 4.46Å; E319-P500 HydrophobicContact CB-CG 4.4Å; E319-P500 WeakPolarHBondContact OE2-CB 3.16Å
501	V	25.7	Very low	27.1	Very low	139 Å²	139	150.9 Å²	150.9	84%	0.842	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-92.8	122.3	165.3	173.5	0	0	0	0	108.2
502	R	24.1	Very low	27.3	Very low	219 Å²	219	146.4 Å²	146.4	83%	0.826	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.7	140.4	178.3	-80.4	176.7	167	179	-4.1	114
503	N	26.6	Very low	26.8	Very low	164 Å²	164	145 Å²	145	88%	0.877	78%	0.782	S	S	*	*			trans	166.3	142.5	134	-83.5	-21.1	0	0	0	106.8
504	S	26.9	Very low	26.7	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	79%	0.79	S	S	*	*			cis	-175.8	140.6	6.8	156.8	0	0	0	0	106
505	Q	23.5	Very low	26.3	Very low	175 Å²	175	145 Å²	145	82%	0.818	80%	0.798	S	S	*	*			trans	-58.6	147	175.8	-61.2	172.2	-19.3	0	0	113.8
506	Q	24.6	Very low	26.2	Very low	159 Å²	159	149.7 Å²	149.7	74%	0.743	80%	0.8	S	S	*	*				161.3	117.9	123.2	-93.7	171.7	-1.8	0	0	112.3
507	W	25.5	Very low	26	Very low	269 Å²	269	154.5 Å²	154.5	100%	1.019	81%	0.808	S	S	*	*			trans	-139	138	144.2	-77.2	97.4	0	0	0	112.1
508	R	25.1	Very low	26.3	Very low	222 Å²	222	158.8 Å²	158.8	84%	0.838	81%	0.813	S	S	*	*			trans	-93.5	138.2	-167.8	-105.4	-179.8	-99	171.8	-6.8	111.1
509	K	23.5	Very low	26.2	Very low	195 Å²	195	157.8 Å²	157.8	85%	0.848	81%	0.808	S	S	*	*			trans	-61	133.5	161.1	-119.9	172.2	-179.8	173.6	0	110.6
510	V	28.8	Very low	26.6	Very low	138 Å²	138	160 Å²	160	84%	0.836	82%	0.816	S	S	*	*			trans	-129.3	112.4	159.6	-178.1	0	0	0	0	108.4
511	S	24.7	Very low	26.7	Very low	110 Å²	110	161.6 Å²	161.6	77%	0.769	82%	0.824	S	S	*	*			trans	-98.7	138.4	164	-48.3	0	0	0	0	107.3
512	G	29.4	Very low	26.9	Very low	77 Å²	77	162.8 Å²	162.8	79%	0.794	82%	0.823	S	S	*	*			trans	-151.6	124.9	179.4	0	0	0	0	0	111.1
513	E	26.3	Very low	27.2	Very low	178 Å²	178	157.1 Å²	157.1	83%	0.832	82%	0.816	S	S	*	*			trans	-82.4	163.5	-159.7	-75	168.9	128.6	0	0	117.6
514	L	25.3	Very low	27.5	Very low	157 Å²	157	154.9 Å²	154.9	82%	0.822	81%	0.814	S	S	*	*			trans	60.3	128.3	139.1	-94.1	79.6	0	0	0	121.9
515	G	29.1	Very low	27.8	Very low	81 Å²	81	154.2 Å²	154.2	84%	0.835	82%	0.815	S	S	*	*			trans	-170.2	99	154.9	0	0	0	0	0	112.9
516	Q	26.2	Very low	28.5	Very low	171 Å²	171	151.5 Å²	151.5	80%	0.799	81%	0.812	S	S	*	*			trans	-70.5	141.8	-176.4	-86.4	-177.8	-27.1	0	0	115.7
517	E	25.8	Very low	28.7	Very low	156 Å²	156	148.7 Å²	148.7	73%	0.729	81%	0.81	S	S	*	*				49.6	123.8	125.8	-124.7	179.6	-173.9	0	0	121.2
518	K	30.2	Very low	29.1	Very low	209 Å²	209	144 Å²	144	91%	0.909	80%	0.804	S	S	*	*			trans	-159.2	109.4	136.4	-111.7	170.6	-172.3	176.8	0	112.3
519	K	26.8	Very low	29.6	Very low	181 Å²	181	139.1 Å²	139.1	79%	0.787	80%	0.804	S	S	*	*			trans	-73.6	143.6	158.3	-80	173	174.5	166.8	0	109.4
520	N	33.3	Very low	30.1	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	80%	0.802	S	S	*	*			trans	-154.9	156.2	148.6	-103.4	-13.3	0	0	0	111.8
521	T	29	Very low	30.5	Very low	120 Å²	120	131.6 Å²	131.6	74%	0.736	79%	0.788	S	S	*	*			trans	-112	160.8	-141.9	-3.5	0	0	0	0	113.4
522	M	30.5	Very low	31.8	Very low	164 Å²	164	128.9 Å²	128.9	81%	0.808	77%	0.769	S	S	*	*			trans	88.7	117.3	142	-73.8	177.4	95.7	0	0	123.1
523	S	30.6	Very low	33.1	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	76%	0.761	S	S	*	*				78.8	114.6	128.3	77.2	0	0	0	0	120.1
524	S	32.7	Very low	34.1	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	75%	0.751	S	S	*	*				164.8	128.3	100.6	46.6	0	0	0	0	109.8
525	A	34	Very low	35.3	Very low	97 Å²	97	123.2 Å²	123.2	80%	0.802	73%	0.734	S	S	*	*			trans	-85.8	154.7	169.7	0	0	0	0	0	110
526	P	36.7	Very low	36.5	Very low	117 Å²	117	123.5 Å²	123.5	76%	0.76	72%	0.716	S	S	*	*				-140	137.2	126.4	28.5	-10.2	0	0	0	115.2
527	S	29.4	Very low	37.9	Very low	100 Å²	100	119.4 Å²	119.4	70%	0.699	70%	0.698	S	S	*	*			trans	25	119.9	140	59.9	0	0	0	0	122
528	L	34.3	Very low	39.3	Very low	171 Å²	171	117 Å²	117	90%	0.895	69%	0.69	S	S	*	*				40.7	110.3	126.7	-66.1	161.5	0	0	0	118.6
529	S	34.9	Very low	40.4	Very low	120 Å²	120	109.6 Å²	109.6	84%	0.839	67%	0.668	S	S	*	*			trans	-164.3	132	130.8	46.5	0	0	0	0	112.6
530	A	33.5	Very low	41.9	Very low	97 Å²	97	104.5 Å²	104.5	80%	0.802	65%	0.652	S	S	*	*			trans	35.6	98.7	159.4	0	0	0	0	0	118.7	S532	A530-S532 PolarHBondContact O-N 3.12Å
531	S	37	Very low	43	Very low	77 Å²	77	102 Å²	102	54%	0.538	64%	0.635	S	S	.	*			trans	-63.6	121.8	162.3	65	0	0	0	0	109.2	N536	S531-N536 PolarHBondContact OG-OD1 2.6Å
532	S	52.5	Low	44.4	Very low	53 Å²	53	100.9 Å²	100.9	37%	0.371	62%	0.624	S	S	.	*			trans	-69.7	157	174.6	73.5	0	0	0	0	109.1	A530 L534 D535 N536	A530-S532 PolarHBondContact O-N 3.12Å; S532-L534 PolarHBondContact O-N 2.94Å; S532-L534 PolarHBondContact OG-N 3.1Å; S532-D535 WeakPolarHBondContact CB-OD2 3.48Å; S532-D535 PolarHBondContact N-OD2 2.55Å; S532-D535 PolarHBondContact O-N 3Å; S532-D535 PolarHBondContact OG-N 2.93Å; S532-D535 PolarHBondContact OG-OD2 2.86Å; S532-N536 PolarHBondContact O-N 3.38Å
533	S	56.7	Low	45.6	Very low	90 Å²	90	99.5 Å²	99.5	63%	0.629	62%	0.615	S	S	*	*	H	α-helix	trans	-50.3	-25.8	173.4	174.5	0	0	0	0	113.2	I537	S533-I537 VanDerWaalsContact O-CD1 3.28Å; S533-I537 WeakPolarHBondContact O-CD1 3.37Å; S533-I537 WeakPolarHBondContact O-CG1 3.25Å; S533-I537 PolarHBondContact O-N 3.29Å
534	L	48.6	Very low	46.6	Very low	119 Å²	119	101.9 Å²	101.9	62%	0.623	61%	0.613	S	S	*	*	H	α-helix	trans	-77	-37	179.1	-75.9	162.4	0	0	0	112.6	S532 N536 I537 L538	S532-L534 PolarHBondContact O-N 2.94Å; S532-L534 PolarHBondContact OG-N 3.1Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 3.11Å; L534-I537 PolarHBondContact O-N 2.85Å; L534-I537 VanDerWaalsContact O-N 3.17Å; L534-L538 PolarHBondContact O-N 3.38Å
535	D	49	Very low	47.8	Very low	85 Å²	85	103.2 Å²	103.2	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-66.7	-36.7	179.6	-58.6	-51.8	0	0	0	111.3	S532 L538 A539	S532-D535 WeakPolarHBondContact CB-OD2 3.48Å; S532-D535 PolarHBondContact N-OD2 2.55Å; S532-D535 PolarHBondContact O-N 3Å; S532-D535 PolarHBondContact OG-N 2.93Å; S532-D535 PolarHBondContact OG-OD2 2.86Å; D535-L538 PolarHBondContact O-N 2.97Å; D535-A539 VanDerWaalsContact O-CB 3.25Å; D535-A539 WeakPolarHBondContact O-CB 3.45Å; D535-A539 PolarHBondContact O-N 3.47Å
536	N	55	Low	49.1	Very low	86 Å²	86	101.6 Å²	101.6	46%	0.46	58%	0.584	S	S	.	*	H	α-helix	trans	-69.3	-34	174.1	-65.1	-26.2	0	0	0	111.9	S531 S532 L534 T540	S531-N536 PolarHBondContact OG-OD1 2.6Å; S532-N536 PolarHBondContact O-N 3.38Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 3.11Å; N536-T540 WeakPolarHBondContact O-CB 3.39Å; N536-T540 WeakPolarHBondContact O-CG2 3.33Å; N536-T540 PolarHBondContact O-N 2.86Å; N536-T540 PolarHBondContact O-OG1 2.78Å
537	I	55.2	Low	50.3	Low	85 Å²	85	98.7 Å²	98.7	44%	0.436	57%	0.567	S	S	.	*	H	α-helix	trans	-69.1	-45.5	174.4	-68.2	164.9	0	0	0	110.2	S533 L534 A539 T540 E541	S533-I537 VanDerWaalsContact O-CD1 3.28Å; S533-I537 WeakPolarHBondContact O-CD1 3.37Å; S533-I537 WeakPolarHBondContact O-CG1 3.25Å; S533-I537 PolarHBondContact O-N 3.29Å; L534-I537 PolarHBondContact O-N 2.85Å; L534-I537 VanDerWaalsContact O-N 3.17Å; I537-A539 PolarHBondContact O-N 3.22Å; I537-T540 WeakPolarHBondContact CA-OG1 3.32Å; I537-T540 PolarHBondContact O-N 3.27Å; I537-T540 PolarHBondContact O-OG1 3.15Å; I537-E541 VanDerWaalsContact O-CB 3.31Å; I537-E541 WeakPolarHBondContact O-CB 2.83Å; I537-E541 PolarHBondContact O-N 3.26Å
538	L	55.3	Low	51.8	Low	106 Å²	106	100 Å²	100	56%	0.555	57%	0.565	S	S	*	*	H	α-helix	trans	-63.1	-42.3	176.5	-115.3	135.1	0	0	0	111.8	L534 D535 E541 I542	L534-L538 PolarHBondContact O-N 3.38Å; D535-L538 PolarHBondContact O-N 2.97Å; L538-E541 PolarHBondContact O-N 2.98Å; L538-I542 HydrophobicContact CD2-CD1 4.06Å; L538-I542 WeakPolarHBondContact O-CB 3.3Å; L538-I542 WeakPolarHBondContact O-CD1 3.45Å; L538-I542 WeakPolarHBondContact O-CG1 3.31Å; L538-I542 PolarHBondContact O-N 2.87Å
539	A	53.5	Low	53.7	Low	54 Å²	54	93.7 Å²	93.7	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.5	0	0	0	0	0	111.9	D535 I537 Q543	D535-A539 VanDerWaalsContact O-CB 3.25Å; D535-A539 WeakPolarHBondContact O-CB 3.45Å; D535-A539 PolarHBondContact O-N 3.47Å; I537-A539 PolarHBondContact O-N 3.22Å; A539-Q543 VanDerWaalsContact O-CB 3.23Å; A539-Q543 WeakPolarHBondContact O-CB 3.17Å; A539-Q543 PolarHBondContact O-N 2.89Å
540	T	57.5	Low	55.8	Low	73 Å²	73	91.2 Å²	91.2	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-33	176.1	47.1	0	0	0	0	112.7	N536 I537 K544	N536-T540 WeakPolarHBondContact O-CB 3.39Å; N536-T540 WeakPolarHBondContact O-CG2 3.33Å; N536-T540 PolarHBondContact O-N 2.86Å; N536-T540 PolarHBondContact O-OG1 2.78Å; I537-T540 WeakPolarHBondContact CA-OG1 3.32Å; I537-T540 PolarHBondContact O-N 3.27Å; I537-T540 PolarHBondContact O-OG1 3.15Å; T540-K544 WeakPolarHBondContact O-CB 3.26Å; T540-K544 VanDerWaalsContact O-CG 3.31Å; T540-K544 WeakPolarHBondContact O-CG 3.48Å; T540-K544 PolarHBondContact O-N 3.09Å
541	E	57.5	Low	58.2	Low	112 Å²	112	90.3 Å²	90.3	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-72.2	-40.3	175.3	-165.7	123.3	-153.8	0	0	112.2	I537 L538 K544 K545	I537-E541 VanDerWaalsContact O-CB 3.31Å; I537-E541 WeakPolarHBondContact O-CB 2.83Å; I537-E541 PolarHBondContact O-N 3.26Å; L538-E541 PolarHBondContact O-N 2.98Å; E541-K544 PolarHBondContact O-N 3.3Å; E541-K545 WeakPolarHBondContact O-CG 2.77Å; E541-K545 PolarHBondContact O-N 2.6Å
542	I	58.9	Low	60.5	Low	95 Å²	95	90.6 Å²	90.6	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-47	171.3	-69.5	164.7	0	0	0	109.7	L538 K544 K545 V546	L538-I542 HydrophobicContact CD2-CD1 4.06Å; L538-I542 WeakPolarHBondContact O-CB 3.3Å; L538-I542 WeakPolarHBondContact O-CD1 3.45Å; L538-I542 WeakPolarHBondContact O-CG1 3.31Å; L538-I542 PolarHBondContact O-N 2.87Å; I542-K544 VanDerWaalsContact C-N 3.3Å; I542-K544 PolarHBondContact O-N 2.82Å; I542-K545 PolarHBondContact O-N 3.27Å; I542-K545 VanDerWaalsContact O-N 3.14Å; I542-V546 HydrophobicContact CG2-CG2 4.35Å; I542-V546 VanDerWaalsContact O-CG2 3.31Å; I542-V546 WeakPolarHBondContact O-CG2 3.34Å; I542-V546 PolarHBondContact O-N 2.88Å
543	Q	54.2	Low	62.3	Low	136 Å²	136	88.7 Å²	88.7	64%	0.636	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-38	178	-166.7	172.3	11.6	0	0	111.7	A539 V546 S547	A539-Q543 VanDerWaalsContact O-CB 3.23Å; A539-Q543 WeakPolarHBondContact O-CB 3.17Å; A539-Q543 PolarHBondContact O-N 2.89Å; Q543-V546 PolarHBondContact O-N 3.02Å; Q543-S547 WeakPolarHBondContact O-CB 3.11Å; Q543-S547 PolarHBondContact O-N 2.68Å; Q543-S547 PolarHBondContact O-OG 2.77Å
544	K	52.7	Low	63.9	Low	149 Å²	149	88.8 Å²	88.8	65%	0.648	47%	0.465	S	S	*	.	H	α-helix	trans	-62.7	-46.7	170.9	-81.6	179.3	-179.2	179.6	0	112.1	T540 E541 I542 V546 S547 L548	T540-K544 WeakPolarHBondContact O-CB 3.26Å; T540-K544 VanDerWaalsContact O-CG 3.31Å; T540-K544 WeakPolarHBondContact O-CG 3.48Å; T540-K544 PolarHBondContact O-N 3.09Å; E541-K544 PolarHBondContact O-N 3.3Å; I542-K544 VanDerWaalsContact C-N 3.3Å; I542-K544 PolarHBondContact O-N 2.82Å; K544-V546 VanDerWaalsContact C-N 3.34Å; K544-V546 PolarHBondContact O-N 3.5Å; K544-S547 WeakPolarHBondContact CA-OG 3.02Å; K544-S547 PolarHBondContact O-N 3.32Å; K544-S547 PolarHBondContact O-OG 3.12Å; K544-L548 WeakPolarHBondContact O-CB 3.45Å; K544-L548 PolarHBondContact O-N 3.3Å
545	K	58.2	Low	65.9	Low	145 Å²	145	88.8 Å²	88.8	63%	0.63	46%	0.462	S	S	*	.	H	α-helix	trans	-61.8	-40.1	177	-75.9	-176.8	-179	-176.9	0	112.5	E541 I542 L548 A549	E541-K545 WeakPolarHBondContact O-CG 2.77Å; E541-K545 PolarHBondContact O-N 2.6Å; I542-K545 PolarHBondContact O-N 3.27Å; I542-K545 VanDerWaalsContact O-N 3.14Å; K545-L548 PolarHBondContact O-N 3.13Å; K545-A549 PolarHBondContact O-N 3.22Å
546	V	61.1	Low	68	Low	63 Å²	63	85 Å²	85	38%	0.382	44%	0.442	S	S	.	.	H	α-helix	trans	-64.7	-47.1	174.7	174	0	0	0	0	110.3	I542 Q543 K544 L548 A549 E550	I542-V546 HydrophobicContact CG2-CG2 4.35Å; I542-V546 VanDerWaalsContact O-CG2 3.31Å; I542-V546 WeakPolarHBondContact O-CG2 3.34Å; I542-V546 PolarHBondContact O-N 2.88Å; Q543-V546 PolarHBondContact O-N 3.02Å; K544-V546 VanDerWaalsContact C-N 3.34Å; K544-V546 PolarHBondContact O-N 3.5Å; V546-L548 VanDerWaalsContact C-N 3.29Å; V546-L548 PolarHBondContact O-N 3.21Å; V546-A549 WeakPolarHBondContact O-CB 3.42Å; V546-A549 PolarHBondContact O-N 3.3Å; V546-A549 VanDerWaalsContact O-N 3.1Å; V546-E550 WeakPolarHBondContact O-CG 3.4Å; V546-E550 PolarHBondContact O-N 2.92Å
547	S	60.6	Low	69.8	Low	57 Å²	57	83 Å²	83	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-34	176.7	71.1	0	0	0	0	113.3	Q543 K544 T551	Q543-S547 WeakPolarHBondContact O-CB 3.11Å; Q543-S547 PolarHBondContact O-N 2.68Å; Q543-S547 PolarHBondContact O-OG 2.77Å; K544-S547 WeakPolarHBondContact CA-OG 3.02Å; K544-S547 PolarHBondContact O-N 3.32Å; K544-S547 PolarHBondContact O-OG 3.12Å; S547-T551 WeakPolarHBondContact O-CG2 3.29Å; S547-T551 PolarHBondContact O-N 2.85Å; S547-T551 VanDerWaalsContact O-N 3.08Å; S547-T551 PolarHBondContact O-OG1 3.31Å
548	L	62.3	Low	71.6	Confident	128 Å²	128	85.1 Å²	85.1	67%	0.67	44%	0.439	S	S	*	.	H	α-helix	trans	-69.4	-35.4	175	-164.1	102.9	0	0	0	111.4	K544 K545 V546 T551 H552	K544-L548 WeakPolarHBondContact O-CB 3.45Å; K544-L548 PolarHBondContact O-N 3.3Å; K545-L548 PolarHBondContact O-N 3.13Å; V546-L548 VanDerWaalsContact C-N 3.29Å; V546-L548 PolarHBondContact O-N 3.21Å; L548-T551 WeakPolarHBondContact CA-OG1 3.45Å; L548-T551 PolarHBondContact O-OG1 3.19Å; L548-H552 PolarHBondContact O-N 3.34Å
549	A	73.6	Confident	73.5	Confident	37 Å²	37	82.3 Å²	82.3	31%	0.306	43%	0.426	S	S	.	.	H	α-helix	trans	-70	-43.1	174.9	0	0	0	0	0	111.7	K545 V546 H552 F553	K545-A549 PolarHBondContact O-N 3.22Å; V546-A549 WeakPolarHBondContact O-CB 3.42Å; V546-A549 PolarHBondContact O-N 3.3Å; V546-A549 VanDerWaalsContact O-N 3.1Å; A549-H552 PolarHBondContact O-N 3.31Å; A549-F553 HydrophobicContact CB-CE2 4.3Å; A549-F553 HydrophobicContact CB-CZ 4.11Å; A549-F553 WeakPolarHBondContact O-CD1 3.18Å; A549-F553 WeakPolarHBondContact O-CD2 3.37Å; A549-F553 VanDerWaalsContact O-CG 3.23Å; A549-F553 WeakPolarHBondContact O-CG 3.2Å; A549-F553 PolarHBondContact O-N 3.01Å
550	E	79.8	Confident	75.5	Confident	69 Å²	69	79.8 Å²	79.8	32%	0.322	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-43.6	178	-73.1	176.1	-179.6	0	0	112.4	F446 L450 V546 H552 F553 H554	F446-E550 HydrophobicContact CZ-CB 4.25Å; F446-E550 HydrophobicContact CZ-CG 4.19Å; L450-E550 HydrophobicContact CD1-CG 4.18Å; V546-E550 WeakPolarHBondContact O-CG 3.4Å; V546-E550 PolarHBondContact O-N 2.92Å; E550-H552 PolarHBondContact O-N 3.07Å; E550-F553 PolarHBondContact O-N 3.38Å; E550-H554 PolarHBondContact O-CD2 2.86Å; E550-H554 PolarHBondContact O-N 3.19Å
551	T	84	Confident	77.2	Confident	77 Å²	77	79.2 Å²	79.2	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-60.3	-44.3	175.4	45	0	0	0	0	111.7	S547 L548 F553 H554 E555	S547-T551 WeakPolarHBondContact O-CG2 3.29Å; S547-T551 PolarHBondContact O-N 2.85Å; S547-T551 VanDerWaalsContact O-N 3.08Å; S547-T551 PolarHBondContact O-OG1 3.31Å; L548-T551 WeakPolarHBondContact CA-OG1 3.45Å; L548-T551 PolarHBondContact O-OG1 3.19Å; T551-F553 VanDerWaalsContact C-N 3.3Å; T551-F553 PolarHBondContact O-N 3.21Å; T551-H554 PolarHBondContact O-N 2.83Å; T551-E555 WeakPolarHBondContact O-CG 3.47Å; T551-E555 PolarHBondContact O-N 2.76Å
552	H	85.4	Confident	78.9	Confident	83 Å²	83	79.6 Å²	79.6	38%	0.384	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-31.5	176.3	-164.9	-63.3	0	0	0	112.8	L548 A549 E550 M556	L548-H552 PolarHBondContact O-N 3.34Å; A549-H552 PolarHBondContact O-N 3.31Å; E550-H552 PolarHBondContact O-N 3.07Å; H552-M556 WeakPolarHBondContact O-CB 3.4Å; H552-M556 PolarHBondContact O-N 3.45Å
553	F	89	Confident	80.6	Confident	14 Å²	14	75.1 Å²	75.1	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-70.6	-40.6	174.3	-60.2	-21.3	0	0	0	112	F446 L449 L450 R453 A549 E550 T551 M556 I557	F446-F553 HydrophobicContact CD2-CB 4.15Å; F446-F553 HydrophobicContact CE2-CB 3.96Å; L449-F553 HydrophobicContact CD1-CB 4.07Å; L449-F553 HydrophobicContact CD1-CG 4.34Å; L450-F553 HydrophobicContact CD1-CD2 4.47Å; L450-F553 HydrophobicContact CD1-CE2 4.21Å; R453-F553 HydrophobicContact CB-CZ 4.26Å; R453-F553 VanDerWaalsContact CD-CE1 3.42Å; R453-F553 HydrophobicContact CG-CZ 4.36Å; A549-F553 HydrophobicContact CB-CE2 4.3Å; A549-F553 HydrophobicContact CB-CZ 4.11Å; A549-F553 WeakPolarHBondContact O-CD1 3.18Å; A549-F553 WeakPolarHBondContact O-CD2 3.37Å; A549-F553 VanDerWaalsContact O-CG 3.23Å; A549-F553 WeakPolarHBondContact O-CG 3.2Å; A549-F553 PolarHBondContact O-N 3.01Å; E550-F553 PolarHBondContact O-N 3.38Å; T551-F553 VanDerWaalsContact C-N 3.3Å; T551-F553 PolarHBondContact O-N 3.21Å; F553-M556 HydrophobicContact CD1-CE 4.49Å; F553-M556 WeakPolarHBondContact O-CB 3.33Å; F553-M556 PolarHBondContact O-N 3.34Å; F553-I557 WeakPolarHBondContact O-CG1 3.33Å; F553-I557 PolarHBondContact O-N 2.97Å
554	H	89.7	Confident	82.2	Confident	92 Å²	92	71.2 Å²	71.2	43%	0.426	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-45.5	173.7	-81.4	-60.5	0	0	0	112.1	F446 E550 T551 M556 I557 Q558	F446-H554 AromaticContact CD2-CE1 3.62Å; F446-H554 AromaticContact CD2-ND1 3.86Å; F446-H554 AromaticContact CD2-NE2 3.87Å; F446-H554 AromaticContact CE2-CD2 3.52Å; F446-H554 AromaticContact CE2-CE1 3.58Å; F446-H554 AromaticContact CE2-CG 3.93Å; F446-H554 AromaticContact CE2-ND1 3.96Å; F446-H554 AromaticContact CE2-NE2 3.32Å; F446-H554 VanDerWaalsContact CE2-NE2 3.32Å; F446-H554 WeakPolarHBondContact CE2-NE2 3.46Å; F446-H554 AromaticContact CZ-NE2 3.54Å; E550-H554 PolarHBondContact O-CD2 2.86Å; E550-H554 PolarHBondContact O-N 3.19Å; T551-H554 PolarHBondContact O-N 2.83Å; H554-M556 VanDerWaalsContact C-N 3.31Å; H554-M556 PolarHBondContact O-N 2.69Å; H554-I557 PolarHBondContact O-N 3.22Å; H554-Q558 WeakPolarHBondContact O-CB 3.44Å; H554-Q558 VanDerWaalsContact O-CG 3.31Å; H554-Q558 WeakPolarHBondContact O-CG 3.5Å; H554-Q558 PolarHBondContact O-N 2.83Å
555	E	91.2	Very high	83.8	Confident	119 Å²	119	69.1 Å²	69.1	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-60.7	-40.5	176.1	-72.4	179.3	180	0	0	112.1	T551 Q558 T559	T551-E555 WeakPolarHBondContact O-CG 3.47Å; T551-E555 PolarHBondContact O-N 2.76Å; E555-Q558 PolarHBondContact O-N 2.89Å; E555-T559 VanDerWaalsContact O-CB 3.25Å; E555-T559 WeakPolarHBondContact O-CB 3Å; E555-T559 PolarHBondContact O-N 2.82Å; E555-T559 PolarHBondContact O-OG1 3.03Å
556	M	92.7	Very high	85.1	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-48.1	176.7	-169.6	-170.8	-58.2	0	0	111.7	P330 S331 V333 P443 L449 H552 F553 H554 T559 A560	P330-M556 HydrophobicContact CB-CG 3.56Å; P330-M556 HydrophobicContact CG-CG 4.2Å; P330-M556 WeakPolarHBondContact CG-O 3.29Å; S331-M556 WeakPolarHBondContact O-CE 3.38Å; V333-M556 HydrophobicContact CB-SD 4.12Å; V333-M556 HydrophobicContact CG2-SD 4.31Å; P443-M556 HydrophobicContact CB-CG 4.27Å; P443-M556 HydrophobicContact CB-SD 3.86Å; P443-M556 HydrophobicContact CG-CG 4.2Å; P443-M556 HydrophobicContact CG-SD 4.43Å; L449-M556 HydrophobicContact CD1-SD 4.39Å; H552-M556 WeakPolarHBondContact O-CB 3.4Å; H552-M556 PolarHBondContact O-N 3.45Å; F553-M556 HydrophobicContact CD1-CE 4.49Å; F553-M556 WeakPolarHBondContact O-CB 3.33Å; F553-M556 PolarHBondContact O-N 3.34Å; H554-M556 VanDerWaalsContact C-N 3.31Å; H554-M556 PolarHBondContact O-N 2.69Å; M556-T559 PolarHBondContact O-N 3.29Å; M556-A560 PolarHBondContact O-N 3.08Å
557	I	93.2	Very high	86.4	Confident	42 Å²	42	63 Å²	63	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-46.6	178.9	-67.1	170.1	0	0	0	110.6	P443 F446 L449 F553 H554 T559 A560 S561	P443-I557 HydrophobicContact CB-CG1 4.48Å; P443-I557 HydrophobicContact CG-CG1 4.26Å; F446-I557 HydrophobicContact CB-CD1 3.71Å; F446-I557 HydrophobicContact CD2-CD1 4.11Å; F446-I557 HydrophobicContact CG-CD1 4.44Å; L449-I557 HydrophobicContact CD1-CD1 4.02Å; L449-I557 HydrophobicContact CD1-CG1 4.04Å; F553-I557 WeakPolarHBondContact O-CG1 3.33Å; F553-I557 PolarHBondContact O-N 2.97Å; H554-I557 PolarHBondContact O-N 3.22Å; I557-T559 VanDerWaalsContact C-N 3.3Å; I557-T559 PolarHBondContact O-N 3.35Å; I557-A560 WeakPolarHBondContact O-CB 3.4Å; I557-A560 PolarHBondContact O-N 3.22Å; I557-A560 VanDerWaalsContact O-N 3.16Å; I557-S561 PolarHBondContact O-N 2.99Å; I557-S561 PolarHBondContact O-OG 3.42Å
558	Q	94.1	Very high	87.6	Confident	131 Å²	131	61.1 Å²	61.1	61%	0.612	32%	0.321	S	S	*	.	H	α-helix	trans	-60.7	-41.6	177.9	-73.9	179.2	7.1	0	0	111.6	H554 E555 S561 R562	H554-Q558 WeakPolarHBondContact O-CB 3.44Å; H554-Q558 VanDerWaalsContact O-CG 3.31Å; H554-Q558 WeakPolarHBondContact O-CG 3.5Å; H554-Q558 PolarHBondContact O-N 2.83Å; E555-Q558 PolarHBondContact O-N 2.89Å; Q558-S561 PolarHBondContact O-N 3.31Å; Q558-R562 WeakPolarHBondContact O-CB 3.39Å; Q558-R562 PolarHBondContact O-N 3.49Å
559	T	94.4	Very high	88.6	Confident	46 Å²	46	55.9 Å²	55.9	28%	0.282	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-45.4	174.8	-60.9	0	0	0	0	110.7	P330 E555 M556 I557 S561 R562 L563	P330-T559 HydrophobicContact CB-CG2 4.34Å; P330-T559 HydrophobicContact CG-CG2 4.38Å; E555-T559 VanDerWaalsContact O-CB 3.25Å; E555-T559 WeakPolarHBondContact O-CB 3Å; E555-T559 PolarHBondContact O-N 2.82Å; E555-T559 PolarHBondContact O-OG1 3.03Å; M556-T559 PolarHBondContact O-N 3.29Å; I557-T559 VanDerWaalsContact C-N 3.3Å; I557-T559 PolarHBondContact O-N 3.35Å; T559-S561 PolarHBondContact O-N 2.82Å; T559-R562 PolarHBondContact O-N 3.21Å; T559-L563 HydrophobicContact CG2-CD1 4.06Å; T559-L563 HydrophobicContact CG2-CG 4.31Å; T559-L563 VanDerWaalsContact O-CG 3.29Å; T559-L563 WeakPolarHBondContact O-CG 3.16Å; T559-L563 PolarHBondContact O-N 2.7Å
560	A	95.1	Very high	89.3	Confident	2 Å²	2	54.5 Å²	54.5	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-48.5	177	0	0	0	0	0	111.9	P330 F440 P443 M556 I557 R562 L563 E564	P330-A560 HydrophobicContact CG-CB 3.73Å; F440-A560 HydrophobicContact CZ-CB 4.19Å; P443-A560 HydrophobicContact CG-CB 3.74Å; M556-A560 PolarHBondContact O-N 3.08Å; I557-A560 WeakPolarHBondContact O-CB 3.4Å; I557-A560 PolarHBondContact O-N 3.22Å; I557-A560 VanDerWaalsContact O-N 3.16Å; A560-R562 VanDerWaalsContact C-N 3.35Å; A560-R562 PolarHBondContact O-N 3.27Å; A560-L563 PolarHBondContact O-N 3.36Å; A560-E564 WeakPolarHBondContact O-CG 3.46Å; A560-E564 PolarHBondContact O-N 3.2Å
561	S	94	Very high	89.8	Confident	61 Å²	61	52.3 Å²	52.3	43%	0.427	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-41.7	178.2	-59.9	0	0	0	0	112.4	I557 Q558 T559 E564 V565	I557-S561 PolarHBondContact O-N 2.99Å; I557-S561 PolarHBondContact O-OG 3.42Å; Q558-S561 PolarHBondContact O-N 3.31Å; T559-S561 PolarHBondContact O-N 2.82Å; S561-E564 PolarHBondContact O-N 2.81Å; S561-V565 WeakPolarHBondContact O-CG2 3.2Å; S561-V565 PolarHBondContact O-N 2.92Å
562	R	93.8	Very high	90.1	Very high	119 Å²	119	50.9 Å²	50.9	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-42.4	176.2	-173.9	178.7	64.8	82.8	1.1	111.7	Y423 Q558 T559 A560 V565 T566	Y423-R562 PolarHBondContact OH-NH2 2.64Å; Q558-R562 WeakPolarHBondContact O-CB 3.39Å; Q558-R562 PolarHBondContact O-N 3.49Å; T559-R562 PolarHBondContact O-N 3.21Å; A560-R562 VanDerWaalsContact C-N 3.35Å; A560-R562 PolarHBondContact O-N 3.27Å; R562-V565 PolarHBondContact O-N 3.22Å; R562-T566 WeakPolarHBondContact O-CB 3.24Å; R562-T566 WeakPolarHBondContact O-CG2 3.27Å; R562-T566 PolarHBondContact O-N 3.46Å; R562-T566 VanDerWaalsContact O-N 3.11Å; R562-T566 PolarHBondContact O-OG1 3.21Å
563	L	92.8	Very high	90.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-41.6	177.9	-69.5	179.1	0	0	0	111.6	Y423 F440 T559 A560 V565 T566 H567 G568 W571	Y423-L563 HydrophobicContact CD1-CD1 4.19Å; Y423-L563 HydrophobicContact CD1-CD2 3.67Å; Y423-L563 HydrophobicContact CD2-CD2 3.36Å; Y423-L563 HydrophobicContact CE1-CD2 3.92Å; Y423-L563 HydrophobicContact CE2-CD2 3.6Å; Y423-L563 HydrophobicContact CG-CD1 4.43Å; Y423-L563 HydrophobicContact CG-CD2 3.37Å; F440-L563 HydrophobicContact CE2-CB 4.05Å; F440-L563 HydrophobicContact CE2-CD1 4.02Å; F440-L563 HydrophobicContact CZ-CB 4.24Å; T559-L563 HydrophobicContact CG2-CD1 4.06Å; T559-L563 HydrophobicContact CG2-CG 4.31Å; T559-L563 VanDerWaalsContact O-CG 3.29Å; T559-L563 WeakPolarHBondContact O-CG 3.16Å; T559-L563 PolarHBondContact O-N 2.7Å; A560-L563 PolarHBondContact O-N 3.36Å; L563-V565 VanDerWaalsContact C-N 3.33Å; L563-V565 PolarHBondContact O-N 3.03Å; L563-T566 PolarHBondContact O-N 2.81Å; L563-T566 PolarHBondContact O-OG1 2.79Å; L563-H567 WeakPolarHBondContact O-CA 3.43Å; L563-H567 PolarHBondContact O-N 3.15Å; L563-G568 PolarHBondContact O-N 2.91Å; L563-W571 HydrophobicContact CB-CH2 4.18Å; L563-W571 VanDerWaalsContact O-CH2 3.29Å; L563-W571 WeakPolarHBondContact O-CH2 3.25Å
564	E	89.3	Confident	90.7	Very high	55 Å²	55	50.8 Å²	50.8	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-58.7	-43.8	178.1	-77.8	177.5	176.7	0	0	112.8	K229 F440 K442 A560 S561 G568 W571	K229-E564 PolarHBondContact NZ-O 2.82Å; F440-E564 HydrophobicContact CD1-CG 4.43Å; F440-E564 HydrophobicContact CE1-CG 3.79Å; F440-E564 HydrophobicContact CZ-CG 4.29Å; K442-E564 WeakPolarHBondContact CD-OE1 2.97Å; K442-E564 WeakPolarHBondContact CE-OE1 3.48Å; K442-E564 IonicContact NZ-OE1 3.82Å; K442-E564 PolarHBondContact NZ-OE1 2.82Å; K442-E564 IonicContact NZ-OE2 3.56Å; K442-E564 PolarHBondContact NZ-OE2 3.38Å; A560-E564 WeakPolarHBondContact O-CG 3.46Å; A560-E564 PolarHBondContact O-N 3.2Å; S561-E564 PolarHBondContact O-N 2.81Å; E564-G568 WeakPolarHBondContact O-CA 3.33Å; E564-G568 PolarHBondContact O-N 2.88Å; E564-W571 HydrophobicContact CB-CZ2 4.34Å; E564-W571 HydrophobicContact CG-CH2 4.35Å; E564-W571 HydrophobicContact CG-CZ2 3.85Å
565	V	85.4	Confident	91	Very high	105 Å²	105	46.4 Å²	46.4	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-64	-50.5	177.1	175.2	0	0	0	0	110.4	K229 S561 R562 L563	K229-V565 PolarHBondContact NZ-O 2.96Å; S561-V565 WeakPolarHBondContact O-CG2 3.2Å; S561-V565 PolarHBondContact O-N 2.92Å; R562-V565 PolarHBondContact O-N 3.22Å; L563-V565 VanDerWaalsContact C-N 3.33Å; L563-V565 PolarHBondContact O-N 3.03Å
566	T	85.7	Confident	91.2	Very high	33 Å²	33	44.4 Å²	44.4	20%	0.202	23%	0.234	C	C	.	.	H	α-helix	trans	-81	-48.3	-169.5	52.3	0	0	0	0	113.8	N304 R562 L563 H569	N304-T566 PolarHBondContact OD1-O 2.79Å; R562-T566 WeakPolarHBondContact O-CB 3.24Å; R562-T566 WeakPolarHBondContact O-CG2 3.27Å; R562-T566 PolarHBondContact O-N 3.46Å; R562-T566 VanDerWaalsContact O-N 3.11Å; R562-T566 PolarHBondContact O-OG1 3.21Å; L563-T566 PolarHBondContact O-N 2.81Å; L563-T566 PolarHBondContact O-OG1 2.79Å; T566-H569 PolarHBondContact O-CE1 3.45Å; T566-H569 VanDerWaalsContact O-CE1 3.31Å; T566-H569 PolarHBondContact O-ND1 3.07Å
567	H	89.2	Confident	91.2	Very high	45 Å²	45	45.1 Å²	45.1	21%	0.208	24%	0.237	C	C	.	.	H	α-helix	trans	-111.5	-3.2	-171.8	-62.9	76.1	0	0	0	112.9	Y423 L563 H569 L570 W571	Y423-H567 AromaticContact CD2-CE1 3.6Å; Y423-H567 AromaticContact CD2-ND1 3.86Å; Y423-H567 AromaticContact CD2-NE2 3.74Å; Y423-H567 AromaticContact CE2-CE1 3.91Å; L563-H567 WeakPolarHBondContact O-CA 3.43Å; L563-H567 PolarHBondContact O-N 3.15Å; H567-H569 PolarHBondContact O-N 3.26Å; H567-L570 HydrophobicContact CB-CD1 4.27Å; H567-L570 VanDerWaalsContact O-CB 3.32Å; H567-L570 WeakPolarHBondContact O-CB 2.88Å; H567-L570 WeakPolarHBondContact O-CG 3.36Å; H567-L570 PolarHBondContact O-N 2.96Å; H567-W571 HydrophobicContact CB-CE3 4.49Å; H567-W571 HydrophobicContact CB-CH2 4.45Å; H567-W571 HydrophobicContact CB-CZ3 3.77Å
568	G	85.2	Confident	90.9	Very high	19 Å²	19	46.4 Å²	46.4	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	1	-170.6	0	0	0	0	0	117.9	L563 E564 W571	L563-G568 PolarHBondContact O-N 2.91Å; E564-G568 WeakPolarHBondContact O-CA 3.33Å; E564-G568 PolarHBondContact O-N 2.88Å; G568-W571 VanDerWaalsContact CA-CH2 3.44Å
569	H	83.1	Confident	90.7	Very high	18 Å²	18	44.1 Å²	44.1	8%	0.083	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.4	168.3	57.7	-74.4	0	0	0	113.1	L207 K229 T566 H567	L207-H569 HydrophobicContact CD2-CB 4.1Å; K229-H569 VanDerWaalsContact CE-CB 3.42Å; T566-H569 PolarHBondContact O-CE1 3.45Å; T566-H569 VanDerWaalsContact O-CE1 3.31Å; T566-H569 PolarHBondContact O-ND1 3.07Å; H567-H569 PolarHBondContact O-N 3.26Å
570	L	87.9	Confident	90.4	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	24%	0.236	C	C	.	.	S	Bend	trans	-91.3	-21.3	-173.1	-60.6	179.1	0	0	0	113.7	L426 M427 R430 I438 H567	L426-L570 HydrophobicContact CB-CD1 3.93Å; L426-L570 HydrophobicContact CD1-CB 4.15Å; L426-L570 HydrophobicContact CD1-CD1 4.25Å; M427-L570 HydrophobicContact CG-CD1 4.42Å; M427-L570 HydrophobicContact SD-CD1 4.11Å; M427-L570 HydrophobicContact SD-CD2 3.52Å; M427-L570 VanDerWaalsContact SD-CD2 3.52Å; M427-L570 HydrophobicContact SD-CG 4.49Å; R430-L570 PolarHBondContact NH1-O 3.39Å; I438-L570 WeakPolarHBondContact CD1-O 3.23Å; H567-L570 HydrophobicContact CB-CD1 4.27Å; H567-L570 VanDerWaalsContact O-CB 3.32Å; H567-L570 WeakPolarHBondContact O-CB 2.88Å; H567-L570 WeakPolarHBondContact O-CG 3.36Å; H567-L570 PolarHBondContact O-N 2.96Å
571	W	90.5	Very high	90.3	Very high	23 Å²	23	48.2 Å²	48.2	9%	0.087	26%	0.261	C	S	.	.			trans	-97.8	150.7	178.7	52.6	74	0	0	0	113	I438 F440 L563 E564 H567 G568	I438-W571 HydrophobicContact CB-CB 4.18Å; I438-W571 HydrophobicContact CG2-CB 3.65Å; I438-W571 WeakPolarHBondContact O-CB 3.47Å; F440-W571 HydrophobicContact CB-CB 4.23Å; F440-W571 HydrophobicContact CB-CD2 3.54Å; F440-W571 HydrophobicContact CB-CE3 4.01Å; F440-W571 HydrophobicContact CB-CG 3.69Å; F440-W571 HydrophobicContact CB-CH2 4.49Å; F440-W571 HydrophobicContact CB-CZ2 4.1Å; F440-W571 HydrophobicContact CB-CZ3 4.47Å; F440-W571 HydrophobicContact CD1-CH2 4.22Å; F440-W571 AromaticContact CD1-CZ2 3.79Å; F440-W571 HydrophobicContact CD1-CZ2 3.79Å; F440-W571 HydrophobicContact CD2-CD2 4.32Å; F440-W571 HydrophobicContact CD2-CE3 4.03Å; F440-W571 AromaticContact CD2-CH2 3.67Å; F440-W571 HydrophobicContact CD2-CH2 3.67Å; F440-W571 HydrophobicContact CD2-CZ2 4.01Å; F440-W571 AromaticContact CD2-CZ3 3.71Å; F440-W571 HydrophobicContact CD2-CZ3 3.71Å; F440-W571 HydrophobicContact CE1-CH2 4.37Å; F440-W571 HydrophobicContact CE1-CZ2 4.18Å; F440-W571 AromaticContact CE2-CH2 3.83Å; F440-W571 HydrophobicContact CE2-CH2 3.83Å; F440-W571 HydrophobicContact CE2-CZ2 4.37Å; F440-W571 HydrophobicContact CE2-CZ3 4.13Å; F440-W571 AromaticContact CG-CD2 4Å; F440-W571 HydrophobicContact CG-CD2 4Å; F440-W571 AromaticContact CG-CE2 3.77Å; F440-W571 HydrophobicContact CG-CE3 4.18Å; F440-W571 AromaticContact CG-CH2 3.88Å; F440-W571 HydrophobicContact CG-CH2 3.88Å; F440-W571 AromaticContact CG-CZ2 3.7Å; F440-W571 HydrophobicContact CG-CZ2 3.7Å; F440-W571 HydrophobicContact CG-CZ3 4.14Å; F440-W571 HydrophobicContact CZ-CH2 4.18Å; F440-W571 HydrophobicContact CZ-CZ2 4.45Å; L563-W571 HydrophobicContact CB-CH2 4.18Å; L563-W571 VanDerWaalsContact O-CH2 3.29Å; L563-W571 WeakPolarHBondContact O-CH2 3.25Å; E564-W571 HydrophobicContact CB-CZ2 4.34Å; E564-W571 HydrophobicContact CG-CH2 4.35Å; E564-W571 HydrophobicContact CG-CZ2 3.85Å; H567-W571 HydrophobicContact CB-CE3 4.49Å; H567-W571 HydrophobicContact CB-CH2 4.45Å; H567-W571 HydrophobicContact CB-CZ3 3.77Å; G568-W571 VanDerWaalsContact CA-CH2 3.44Å
572	D	91.6	Very high	90.2	Very high	47 Å²	47	48 Å²	48	25%	0.251	26%	0.257	S	S	.	.	S	Bend	trans	-94.6	-25.9	-176.3	-57.8	-63.8	0	0	0	112	R205 F437 I438	R205-D572 IonicContact CZ-OD1 2.68Å; R205-D572 IonicContact NH1-OD1 3.81Å; R205-D572 PolarHBondContact NH1-OD1 3.13Å; R205-D572 IonicContact NH2-OD1 2.68Å; R205-D572 PolarHBondContact NH2-OD1 2.96Å; F437-D572 HydrophobicContact CD2-CB 4.13Å; F437-D572 HydrophobicContact CE1-CB 4.2Å; F437-D572 HydrophobicContact CE2-CB 3.77Å; F437-D572 HydrophobicContact CZ-CB 3.82Å; I438-D572 PolarHBondContact N-OD2 3.47Å; I438-D572 VanDerWaalsContact N-OD2 3.1Å; I438-D572 PolarHBondContact O-N 3.05Å
573	F	93	Very high	90.3	Very high	37 Å²	37	42.4 Å²	42.4	16%	0.162	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.6	-178.9	-172.6	-111.4	0	0	0	112.4	F437 I438 I439 F440 L575 M590	F437-F573 HydrophobicContact CE1-CB 3.87Å; F437-F573 HydrophobicContact CZ-CB 4.12Å; I438-F573 PolarHBondContact O-N 3.5Å; I439-F573 WeakPolarHBondContact CA-O 3.38Å; I439-F573 HydrophobicContact CG1-CB 4.35Å; I439-F573 HydrophobicContact CG2-CD1 4.03Å; F440-F573 PolarHBondContact N-O 3.07Å; F573-L575 HydrophobicContact CD1-CB 4.36Å; F573-L575 HydrophobicContact CE1-CB 4.09Å; F573-L575 HydrophobicContact CE1-CD1 4.28Å; F573-M590 HydrophobicContact CD1-CE 4.09Å; F573-M590 HydrophobicContact CD1-CG 4.37Å; F573-M590 HydrophobicContact CD2-CE 3.53Å; F573-M590 HydrophobicContact CE1-CE 4.06Å; F573-M590 HydrophobicContact CE2-CE 3.49Å; F573-M590 VanDerWaalsContact CE2-CE 3.49Å; F573-M590 HydrophobicContact CG-CE 3.85Å; F573-M590 HydrophobicContact CG-SD 4.49Å; F573-M590 HydrophobicContact CZ-CE 3.77Å
574	V	93.9	Very high	90.4	Very high	57 Å²	57	43.6 Å²	43.6	35%	0.345	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.4	174.2	178	0	0	0	0	108.8	F440 K442	F440-V574 HydrophobicContact CB-CG2 4.4Å; F440-V574 HydrophobicContact CD1-CG1 4.16Å; F440-V574 HydrophobicContact CD1-CG2 4.4Å; F440-V574 CarbonylContact O-C 3.58Å; F440-V574 WeakPolarHBondContact O-CA 3.5Å; K442-V574 HydrophobicContact CB-CG1 4.01Å; K442-V574 HydrophobicContact CD-CG1 4.28Å
575	L	95.6	Very high	90.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.6	176.9	179.8	66.7	0	0	0	109.1	L338 I439 F440 V441 K442 F573 A583 Q586 L587	L338-L575 HydrophobicContact CD1-CD2 3.95Å; I439-L575 HydrophobicContact CG2-CB 3.83Å; F440-L575 PolarHBondContact O-N 3.32Å; V441-L575 CarbonylContact C-O 3.48Å; V441-L575 WeakPolarHBondContact CA-O 3.45Å; K442-L575 PolarHBondContact N-O 2.79Å; F573-L575 HydrophobicContact CD1-CB 4.36Å; F573-L575 HydrophobicContact CE1-CB 4.09Å; F573-L575 HydrophobicContact CE1-CD1 4.28Å; L575-A583 HydrophobicContact CD1-CB 4.43Å; L575-A583 HydrophobicContact CD2-CB 4.48Å; L575-Q586 HydrophobicContact CD1-CB 3.68Å; L575-Q586 VanDerWaalsContact CD1-OE1 3.27Å; L575-L587 HydrophobicContact CD2-CB 4.22Å
576	I	95.1	Very high	91.2	Very high	77 Å²	77	44.7 Å²	44.7	40%	0.395	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.8	175	-57.8	175.7	0	0	0	107.8	K442 P444 D578	K442-I576 HydrophobicContact CB-CG1 4.46Å; K442-I576 HydrophobicContact CD-CG1 4.43Å; K442-I576 WeakPolarHBondContact O-CA 3.17Å; P444-I576 HydrophobicContact CB-CG2 4.16Å; I576-D578 HydrophobicContact CG2-CB 4.5Å; I576-D578 PolarHBondContact O-N 3.38Å
577	N	92.5	Very high	91.7	Very high	20 Å²	20	43.1 Å²	43.1	11%	0.107	23%	0.231	C	C	.	.			trans	-93.7	73.3	179.6	-169.7	21.4	0	0	0	111	V333 V441 K442 P444 A583	V333-N577 PolarHBondContact O-ND2 2.91Å; V441-N577 HydrophobicContact CG1-CB 3.87Å; K442-N577 PolarHBondContact O-N 2.89Å; P444-N577 WeakPolarHBondContact CD-O 3.28Å; N577-A583 HydrophobicContact CB-CB 4.36Å; N577-A583 VanDerWaalsContact OD1-CB 3.28Å; N577-A583 WeakPolarHBondContact OD1-CB 3.35Å
578	D	87.9	Confident	92	Very high	69 Å²	69	43 Å²	43	37%	0.369	24%	0.235	S	C	.	.	S	Bend	trans	-82.9	-49.6	173.9	55.6	-2.7	0	0	0	112.7	P444 V448 T452 I576	P444-D578 HydrophobicContact CB-CB 3.81Å; P444-D578 HydrophobicContact CG-CB 4.16Å; V448-D578 HydrophobicContact CG1-CB 3.96Å; T452-D578 WeakPolarHBondContact CG2-O 3.38Å; I576-D578 HydrophobicContact CG2-CB 4.5Å; I576-D578 PolarHBondContact O-N 3.38Å
579	D	88.2	Confident	92.4	Very high	84 Å²	84	45.4 Å²	45.4	45%	0.449	24%	0.241	S	C	.	.	S	Bend	trans	-126.4	123.4	175.8	-171.9	17.3	0	0	0	110	P581 V582 A583	D579-P581 WeakPolarHBondContact OD1-CD 3.32Å; D579-V582 HydrophobicContact CB-CB 4.27Å; D579-V582 HydrophobicContact CB-CG2 4.05Å; D579-V582 PolarHBondContact O-N 3.35Å; D579-V582 VanDerWaalsContact O-N 3.1Å; D579-A583 WeakPolarHBondContact O-CB 3.43Å; D579-A583 PolarHBondContact O-N 2.82Å
580	L	89.2	Confident	93	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-44	-170.5	-179.3	70.5	0	0	0	113.4	E337 L338 L584	E337-L580 HydrophobicContact CB-CD1 4.22Å; E337-L580 HydrophobicContact CG-CD1 3.67Å; E337-L580 HydrophobicContact CG-CD2 3.43Å; E337-L580 VanDerWaalsContact CG-CD2 3.43Å; E337-L580 HydrophobicContact CG-CG 4.19Å; L338-L580 HydrophobicContact CD2-CD1 3.81Å; L338-L580 HydrophobicContact CG-CD1 4.14Å; L580-L584 VanDerWaalsContact O-CB 3.27Å; L580-L584 WeakPolarHBondContact O-CB 3.42Å; L580-L584 PolarHBondContact O-N 3.13Å
581	P	91.9	Very high	93.2	Very high	84 Å²	84	44.8 Å²	44.8	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-37.4	176.8	-21.2	36.1	0	0	0	113.1	D579 L584 E585	D579-P581 WeakPolarHBondContact OD1-CD 3.32Å; P581-L584 PolarHBondContact O-N 2.84Å; P581-E585 PolarHBondContact O-N 2.78Å
582	V	93	Very high	93.4	Very high	57 Å²	57	51 Å²	51	35%	0.345	26%	0.263	S	S	.	.	H	α-helix	trans	-69.3	-45	178.3	179.4	0	0	0	0	110.4	D579 L584 E585 Q586	D579-V582 HydrophobicContact CB-CB 4.27Å; D579-V582 HydrophobicContact CB-CG2 4.05Å; D579-V582 PolarHBondContact O-N 3.35Å; D579-V582 VanDerWaalsContact O-N 3.1Å; V582-L584 VanDerWaalsContact C-N 3.28Å; V582-L584 PolarHBondContact O-N 2.79Å; V582-E585 PolarHBondContact O-N 2.81Å; V582-Q586 WeakPolarHBondContact O-CG 3.46Å; V582-Q586 PolarHBondContact O-N 3.44Å
583	A	94.5	Very high	93.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-36.7	175.9	0	0	0	0	0	111.9	L338 L575 N577 D579 L587	L338-A583 HydrophobicContact CD2-CB 3.93Å; L575-A583 HydrophobicContact CD1-CB 4.43Å; L575-A583 HydrophobicContact CD2-CB 4.48Å; N577-A583 HydrophobicContact CB-CB 4.36Å; N577-A583 VanDerWaalsContact OD1-CB 3.28Å; N577-A583 WeakPolarHBondContact OD1-CB 3.35Å; D579-A583 WeakPolarHBondContact O-CB 3.43Å; D579-A583 PolarHBondContact O-N 2.82Å; A583-L587 WeakPolarHBondContact O-CB 3.47Å; A583-L587 PolarHBondContact O-N 2.84Å
584	L	95.5	Very high	93.4	Very high	27 Å²	27	48.7 Å²	48.7	14%	0.141	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-41.1	174.9	-178.4	65.8	0	0	0	112.4	L338 Q341 L342 L580 P581 V582 L587 S588	L338-L584 HydrophobicContact CD2-CB 4.41Å; Q341-L584 HydrophobicContact CB-CD1 3.84Å; Q341-L584 HydrophobicContact CB-CD2 3.75Å; Q341-L584 HydrophobicContact CB-CG 4.42Å; L342-L584 HydrophobicContact CB-CD1 4.1Å; L342-L584 HydrophobicContact CD1-CD1 4.42Å; L580-L584 VanDerWaalsContact O-CB 3.27Å; L580-L584 WeakPolarHBondContact O-CB 3.42Å; L580-L584 PolarHBondContact O-N 3.13Å; P581-L584 PolarHBondContact O-N 2.84Å; V582-L584 VanDerWaalsContact C-N 3.28Å; V582-L584 PolarHBondContact O-N 2.79Å; L584-L587 PolarHBondContact O-N 2.79Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 2.78Å; L584-S588 PolarHBondContact O-OG 2.76Å
585	E	95.3	Very high	93.2	Very high	137 Å²	137	47.9 Å²	47.9	64%	0.64	24%	0.242	S	C	*	.	H	α-helix	trans	-61.2	-46.9	174.9	-175.3	175.6	-168.2	0	0	110.8	P581 V582 L587 S588 E589	P581-E585 PolarHBondContact O-N 2.78Å; V582-E585 PolarHBondContact O-N 2.81Å; E585-L587 PolarHBondContact O-N 2.69Å; E585-S588 PolarHBondContact O-N 2.86Å; E585-E589 PolarHBondContact O-N 3.34Å
586	Q	95.6	Very high	92.9	Very high	45 Å²	45	51.3 Å²	51.3	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-40.6	175.7	-70.8	-179.6	9.6	0	0	112.5	L575 V582 M590	L575-Q586 HydrophobicContact CD1-CB 3.68Å; L575-Q586 VanDerWaalsContact CD1-OE1 3.27Å; V582-Q586 WeakPolarHBondContact O-CG 3.46Å; V582-Q586 PolarHBondContact O-N 3.44Å; Q586-M590 WeakPolarHBondContact O-CB 3.24Å; Q586-M590 PolarHBondContact O-N 2.82Å
587	L	96.4	Very high	92.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-41.5	176.2	-179.9	60.3	0	0	0	111.5	L327 L338 L342 I439 L575 A583 L584 E585 M590 A591	L327-L587 HydrophobicContact CD2-CD1 4.28Å; L338-L587 HydrophobicContact CB-CD2 4Å; L342-L587 HydrophobicContact CD2-CD2 4.14Å; L342-L587 HydrophobicContact CD2-CG 4.18Å; I439-L587 HydrophobicContact CD1-CD1 3.6Å; L575-L587 HydrophobicContact CD2-CB 4.22Å; A583-L587 WeakPolarHBondContact O-CB 3.47Å; A583-L587 PolarHBondContact O-N 2.84Å; L584-L587 PolarHBondContact O-N 2.79Å; E585-L587 PolarHBondContact O-N 2.69Å; L587-M590 PolarHBondContact O-N 3.45Å; L587-A591 WeakPolarHBondContact O-CB 3.41Å; L587-A591 PolarHBondContact O-N 3.01Å
588	S	95.5	Very high	92.5	Very high	41 Å²	41	50.6 Å²	50.6	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-42.8	178.3	-54.5	0	0	0	0	111.6	L342 L584 E585 A591 Y592	L342-S588 WeakPolarHBondContact CD1-OG 3.39Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 2.78Å; L584-S588 PolarHBondContact O-OG 2.76Å; E585-S588 PolarHBondContact O-N 2.86Å; S588-A591 PolarHBondContact O-N 3.33Å; S588-Y592 PolarHBondContact O-N 3.07Å; S588-Y592 VanDerWaalsContact O-N 3.08Å
589	E	94.9	Very high	92.7	Very high	71 Å²	71	49.1 Å²	49.1	33%	0.332	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-43.8	173.8	-177.3	-180	165.2	0	0	111.3	I256 E585 Y592 R593	I256-E589 WeakPolarHBondContact CD1-OE2 3.23Å; E585-E589 PolarHBondContact O-N 3.34Å; E589-Y592 PolarHBondContact O-N 2.92Å; E589-R593 WeakPolarHBondContact O-CG 3.49Å; E589-R593 PolarHBondContact O-N 2.94Å
590	M	94.2	Very high	92.8	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.054	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-42.8	177.4	-172.3	56.8	57.9	0	0	111.6	F437 I439 F573 Q586 L587 Y592 R593 I594 F599	F437-M590 HydrophobicContact CE1-CG 3.92Å; F437-M590 HydrophobicContact CE1-SD 4.05Å; F437-M590 HydrophobicContact CZ-CG 4.29Å; F437-M590 HydrophobicContact CZ-SD 3.79Å; I439-M590 HydrophobicContact CD1-CG 4.27Å; F573-M590 HydrophobicContact CD1-CE 4.09Å; F573-M590 HydrophobicContact CD1-CG 4.37Å; F573-M590 HydrophobicContact CD2-CE 3.53Å; F573-M590 HydrophobicContact CE1-CE 4.06Å; F573-M590 HydrophobicContact CE2-CE 3.49Å; F573-M590 VanDerWaalsContact CE2-CE 3.49Å; F573-M590 HydrophobicContact CG-CE 3.85Å; F573-M590 HydrophobicContact CG-SD 4.49Å; F573-M590 HydrophobicContact CZ-CE 3.77Å; Q586-M590 WeakPolarHBondContact O-CB 3.24Å; Q586-M590 PolarHBondContact O-N 2.82Å; L587-M590 PolarHBondContact O-N 3.45Å; M590-Y592 VanDerWaalsContact C-N 3.35Å; M590-Y592 PolarHBondContact O-N 2.76Å; M590-R593 PolarHBondContact O-N 2.78Å; M590-R593 VanDerWaalsContact O-N 3.13Å; M590-I594 HydrophobicContact CG-CD1 4.07Å; M590-I594 HydrophobicContact CG-CG1 4.44Å; M590-I594 WeakPolarHBondContact O-CD1 3.35Å; M590-I594 VanDerWaalsContact O-CG1 3.22Å; M590-I594 WeakPolarHBondContact O-CG1 3.42Å; M590-I594 PolarHBondContact O-N 3.24Å; M590-F599 HydrophobicContact SD-CZ 4.39Å
591	A	94	Very high	93	Very high	1 Å²	1	44 Å²	44	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-55.3	-49.7	174.5	0	0	0	0	0	111.3	I325 F350 L587 S588 R593 I594 E595	I325-A591 HydrophobicContact CD1-CB 3.73Å; F350-A591 HydrophobicContact CE1-CB 3.88Å; F350-A591 HydrophobicContact CZ-CB 3.8Å; L587-A591 WeakPolarHBondContact O-CB 3.41Å; L587-A591 PolarHBondContact O-N 3.01Å; S588-A591 PolarHBondContact O-N 3.33Å; A591-R593 VanDerWaalsContact C-N 3.3Å; A591-R593 PolarHBondContact O-N 3.26Å; A591-I594 PolarHBondContact O-N 3.46Å; A591-E595 WeakPolarHBondContact O-CG 3.23Å; A591-E595 PolarHBondContact O-N 3.48Å
592	Y	93.1	Very high	93	Very high	153 Å²	153	40.1 Å²	40.1	60%	0.6	20%	0.196	S	C	*	.	H	α-helix	trans	-58.6	-40.1	175.5	177.2	-101.2	0	0	0	113	S588 E589 M590 E595 T596	S588-Y592 PolarHBondContact O-N 3.07Å; S588-Y592 VanDerWaalsContact O-N 3.08Å; E589-Y592 PolarHBondContact O-N 2.92Å; M590-Y592 VanDerWaalsContact C-N 3.35Å; M590-Y592 PolarHBondContact O-N 2.76Å; Y592-E595 PolarHBondContact O-N 2.88Å; Y592-T596 HydrophobicContact CD2-CG2 4.32Å; Y592-T596 HydrophobicContact CE1-CG2 4.13Å; Y592-T596 HydrophobicContact CE2-CG2 3.84Å; Y592-T596 WeakPolarHBondContact O-CG2 3.25Å; Y592-T596 PolarHBondContact O-N 2.9Å; Y592-T596 PolarHBondContact O-OG1 3.17Å
593	R	92.7	Very high	92.9	Very high	30 Å²	30	42.1 Å²	42.1	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-41.7	178.1	-71.3	177.3	65.8	-170.7	-2.3	111.9	E589 M590 A591 E595 T596 E597 F599	E589-R593 WeakPolarHBondContact O-CG 3.49Å; E589-R593 PolarHBondContact O-N 2.94Å; M590-R593 PolarHBondContact O-N 2.78Å; M590-R593 VanDerWaalsContact O-N 3.13Å; A591-R593 VanDerWaalsContact C-N 3.3Å; A591-R593 PolarHBondContact O-N 3.26Å; R593-E595 PolarHBondContact O-N 3.43Å; R593-E595 VanDerWaalsContact O-N 3.13Å; R593-T596 PolarHBondContact O-N 3.48Å; R593-T596 PolarHBondContact O-OG1 2.91Å; R593-E597 HydrophobicContact CB-CG 4.48Å; R593-E597 IonicContact CZ-OE2 3.29Å; R593-E597 IonicContact NE-OE1 3.09Å; R593-E597 PolarHBondContact NE-OE1 3.06Å; R593-E597 IonicContact NE-OE2 3.64Å; R593-E597 PolarHBondContact NE-OE2 3.28Å; R593-E597 IonicContact NH2-OE2 2.84Å; R593-E597 PolarHBondContact NH2-OE2 2.84Å; R593-E597 WeakPolarHBondContact O-CB 3.2Å; R593-E597 PolarHBondContact O-N 3.48Å; R593-F599 HydrophobicContact CB-CZ 4.25Å; R593-F599 WeakPolarHBondContact O-CE2 3.31Å
594	I	91.7	Very high	92.7	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-54.8	-32.1	176.9	-66.5	160.7	0	0	0	111.6	R323 I325 F437 M590 A591 F599	R323-I594 HydrophobicContact CB-CG2 4.31Å; I325-I594 HydrophobicContact CD1-CD1 4.04Å; I325-I594 HydrophobicContact CG1-CD1 4.02Å; F437-I594 HydrophobicContact CB-CD1 3.91Å; F437-I594 HydrophobicContact CB-CG1 4.38Å; F437-I594 HydrophobicContact CB-CG2 4.38Å; F437-I594 HydrophobicContact CD1-CD1 3.28Å; F437-I594 HydrophobicContact CD1-CG1 3.94Å; F437-I594 HydrophobicContact CD2-CD1 3.97Å; F437-I594 HydrophobicContact CD2-CG1 3.72Å; F437-I594 HydrophobicContact CE1-CD1 3.67Å; F437-I594 HydrophobicContact CE1-CG1 4.08Å; F437-I594 HydrophobicContact CE2-CD1 4.32Å; F437-I594 HydrophobicContact CE2-CG1 3.89Å; F437-I594 HydrophobicContact CG-CD1 3.43Å; F437-I594 VanDerWaalsContact CG-CD1 3.43Å; F437-I594 HydrophobicContact CG-CG1 3.74Å; F437-I594 HydrophobicContact CZ-CD1 4.18Å; F437-I594 HydrophobicContact CZ-CG1 4.06Å; M590-I594 HydrophobicContact CG-CD1 4.07Å; M590-I594 HydrophobicContact CG-CG1 4.44Å; M590-I594 WeakPolarHBondContact O-CD1 3.35Å; M590-I594 VanDerWaalsContact O-CG1 3.22Å; M590-I594 WeakPolarHBondContact O-CG1 3.42Å; M590-I594 PolarHBondContact O-N 3.24Å; A591-I594 PolarHBondContact O-N 3.46Å; I594-F599 HydrophobicContact CB-CE2 4.49Å; I594-F599 HydrophobicContact CG1-CE2 4.3Å; I594-F599 HydrophobicContact CG1-CZ 4.41Å
595	E	91	Very high	92.5	Very high	41 Å²	41	47 Å²	47	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-87.2	-18.4	-179.1	-61.1	174.5	-151.5	0	0	114.3	P317 Y322 H349 V416 A591 Y592 R593	P317-E595 WeakPolarHBondContact CB-O 3.32Å; P317-E595 WeakPolarHBondContact CG-O 3.47Å; Y322-E595 HydrophobicContact CD1-CB 4.3Å; Y322-E595 HydrophobicContact CD1-CG 3.62Å; Y322-E595 HydrophobicContact CE1-CB 4.06Å; Y322-E595 HydrophobicContact CE1-CG 3.71Å; H349-E595 IonicContact CD2-OE1 2.86Å; H349-E595 IonicContact CE1-OE1 2.55Å; H349-E595 IonicContact CE1-OE2 3.35Å; H349-E595 VanDerWaalsContact NE2-CD 3.33Å; H349-E595 IonicContact NE2-OE1 3.64Å; H349-E595 PolarHBondContact NE2-OE1 2.77Å; H349-E595 IonicContact NE2-OE2 2.6Å; H349-E595 PolarHBondContact NE2-OE2 2.95Å; V416-E595 WeakPolarHBondContact CG2-OE1 3.34Å; A591-E595 WeakPolarHBondContact O-CG 3.23Å; A591-E595 PolarHBondContact O-N 3.48Å; Y592-E595 PolarHBondContact O-N 2.88Å; R593-E595 PolarHBondContact O-N 3.43Å; R593-E595 VanDerWaalsContact O-N 3.13Å
596	T	88.9	Confident	92.1	Very high	73 Å²	73	43 Å²	43	45%	0.448	21%	0.205	S	C	.	.	H	α-helix	trans	-118	-27	-171.4	53.4	0	0	0	0	114	Y592 R593	Y592-T596 HydrophobicContact CD2-CG2 4.32Å; Y592-T596 HydrophobicContact CE1-CG2 4.13Å; Y592-T596 HydrophobicContact CE2-CG2 3.84Å; Y592-T596 WeakPolarHBondContact O-CG2 3.25Å; Y592-T596 PolarHBondContact O-N 2.9Å; Y592-T596 PolarHBondContact O-OG1 3.17Å; R593-T596 PolarHBondContact O-N 3.48Å; R593-T596 PolarHBondContact O-OG1 2.91Å
597	E	89.8	Confident	90.8	Very high	68 Å²	68	44.8 Å²	44.8	32%	0.318	22%	0.216	S	C	.	.	S	Bend	trans	-107.7	151	-176.1	-61.3	-176.7	173.5	0	0	111.3	P317 R593 F599	P317-E597 WeakPolarHBondContact CD-O 3.29Å; R593-E597 HydrophobicContact CB-CG 4.48Å; R593-E597 IonicContact CZ-OE2 3.29Å; R593-E597 IonicContact NE-OE1 3.09Å; R593-E597 PolarHBondContact NE-OE1 3.06Å; R593-E597 IonicContact NE-OE2 3.64Å; R593-E597 PolarHBondContact NE-OE2 3.28Å; R593-E597 IonicContact NH2-OE2 2.84Å; R593-E597 PolarHBondContact NH2-OE2 2.84Å; R593-E597 WeakPolarHBondContact O-CB 3.2Å; R593-E597 PolarHBondContact O-N 3.48Å; E597-F599 HydrophobicContact CB-CE2 4Å; E597-F599 WeakPolarHBondContact O-CD2 3.44Å
598	A	89.6	Confident	88.8	Confident	14 Å²	14	46.8 Å²	46.8	12%	0.116	23%	0.23	C	C	.	.			trans	-85.5	125.3	175.1	0	0	0	0	0	112.1	R314 Y315 F316	R314-A598 HydrophobicContact CB-CB 4.38Å; R314-A598 PolarHBondContact NH2-O 2.98Å; Y315-A598 CarbonylContact O-C 3.56Å; Y315-A598 WeakPolarHBondContact O-CA 3.25Å; Y315-A598 WeakPolarHBondContact O-CB 3.35Å; F316-A598 HydrophobicContact CD1-CB 3.53Å; F316-A598 HydrophobicContact CD2-CB 4.12Å; F316-A598 HydrophobicContact CE1-CB 3.52Å; F316-A598 HydrophobicContact CE2-CB 4.12Å; F316-A598 HydrophobicContact CG-CB 3.83Å; F316-A598 HydrophobicContact CZ-CB 3.82Å
599	F	91.3	Very high	86.5	Confident	37 Å²	37	50.9 Å²	50.9	16%	0.162	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	157.8	179.9	-73.7	-90	0	0	0	112.4	R314 Y315 F437 M590 R593 I594 E597 I601	R314-F599 CarbonylContact C-O 3.57Å; R314-F599 WeakPolarHBondContact CA-O 3.49Å; Y315-F599 PolarHBondContact N-O 2.75Å; Y315-F599 PolarHBondContact O-N 3.49Å; Y315-F599 VanDerWaalsContact O-N 3.13Å; F437-F599 AromaticContact CE2-CD1 3.58Å; F437-F599 HydrophobicContact CE2-CD1 3.58Å; F437-F599 AromaticContact CE2-CE1 3.63Å; F437-F599 HydrophobicContact CE2-CE1 3.63Å; F437-F599 HydrophobicContact CE2-CG 4.02Å; F437-F599 HydrophobicContact CE2-CZ 4.16Å; F437-F599 HydrophobicContact CZ-CD1 4.34Å; F437-F599 HydrophobicContact CZ-CE1 4.01Å; M590-F599 HydrophobicContact SD-CZ 4.39Å; R593-F599 HydrophobicContact CB-CZ 4.25Å; R593-F599 WeakPolarHBondContact O-CE2 3.31Å; I594-F599 HydrophobicContact CB-CE2 4.49Å; I594-F599 HydrophobicContact CG1-CE2 4.3Å; I594-F599 HydrophobicContact CG1-CZ 4.41Å; E597-F599 HydrophobicContact CB-CE2 4Å; E597-F599 WeakPolarHBondContact O-CD2 3.44Å; F599-I601 PolarHBondContact O-N 3.35Å
600	W	91.5	Very high	83.6	Confident	26 Å²	26	50.9 Å²	50.9	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	123.5	172.8	-63.7	93.3	0	0	0	110.4	H203 R205 I232 V249 F251 V312 E313 R314	H203-W600 HydrophobicContact CB-CE3 4.28Å; H203-W600 HydrophobicContact CB-CH2 3.84Å; H203-W600 HydrophobicContact CB-CZ3 3.41Å; H203-W600 VanDerWaalsContact CB-CZ3 3.41Å; H203-W600 AromaticContact CD2-CH2 3.52Å; H203-W600 AromaticContact CG-CH2 3.49Å; H203-W600 VanDerWaalsContact CG-CH2 3.49Å; H203-W600 AromaticContact CG-CZ3 3.53Å; H203-W600 AromaticContact ND1-CH2 3.95Å; H203-W600 AromaticContact ND1-CZ3 3.97Å; R205-W600 PolarHBondContact NH2-O 3.48Å; I232-W600 HydrophobicContact CD1-CB 4.36Å; I232-W600 HydrophobicContact CD1-CG 4.16Å; I232-W600 HydrophobicContact CG1-CD2 4.31Å; I232-W600 HydrophobicContact CG1-CG 4.02Å; I232-W600 HydrophobicContact CG2-CD2 4.12Å; I232-W600 HydrophobicContact CG2-CE3 4.39Å; I232-W600 HydrophobicContact CG2-CH2 4.23Å; I232-W600 HydrophobicContact CG2-CZ2 3.99Å; I232-W600 HydrophobicContact CG2-CZ3 4.44Å; V249-W600 HydrophobicContact CG1-CZ2 4.34Å; F251-W600 AromaticContact CE1-CE2 3.65Å; F251-W600 AromaticContact CE1-CZ2 3.7Å; F251-W600 HydrophobicContact CE1-CZ2 3.7Å; F251-W600 AromaticContact CE1-NE1 3.02Å; F251-W600 AromaticContact CE2-NE1 3.49Å; F251-W600 AromaticContact CZ-CD1 3.73Å; F251-W600 AromaticContact CZ-CE2 3.35Å; F251-W600 AromaticContact CZ-CZ2 3.55Å; F251-W600 HydrophobicContact CZ-CZ2 3.55Å; F251-W600 AromaticContact CZ-NE1 2.72Å; V312-W600 HydrophobicContact CB-CB 4.22Å; V312-W600 HydrophobicContact CB-CE3 3.9Å; V312-W600 HydrophobicContact CG2-CB 4.38Å; V312-W600 HydrophobicContact CG2-CD2 4.09Å; V312-W600 HydrophobicContact CG2-CE3 3.45Å; V312-W600 VanDerWaalsContact CG2-CE3 3.45Å; V312-W600 HydrophobicContact CG2-CG 4.48Å; V312-W600 HydrophobicContact CG2-CZ3 4.08Å; E313-W600 WeakPolarHBondContact O-CA 3.48Å; R314-W600 HydrophobicContact CG-CD2 3.95Å; R314-W600 HydrophobicContact CG-CE3 3.9Å; R314-W600 HydrophobicContact CG-CH2 3.59Å; R314-W600 HydrophobicContact CG-CZ2 3.58Å; R314-W600 HydrophobicContact CG-CZ3 3.72Å
601	I	91.8	Very high	80.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.7	170.2	68.1	169.6	0	0	0	109.6	V312 E313 Y315 K435 F599 R603 W605 L606	V312-I601 CarbonylContact C-O 3.48Å; V312-I601 WeakPolarHBondContact CA-O 3.39Å; V312-I601 WeakPolarHBondContact CB-O 3.3Å; E313-I601 PolarHBondContact N-O 3.34Å; E313-I601 PolarHBondContact O-N 3.28Å; Y315-I601 VanDerWaalsContact CB-CD1 3.5Å; Y315-I601 HydrophobicContact CD2-CD1 3.83Å; Y315-I601 HydrophobicContact CG-CD1 3.79Å; K435-I601 HydrophobicContact CD-CD1 4.05Å; F599-I601 PolarHBondContact O-N 3.35Å; I601-R603 PolarHBondContact O-N 2.77Å; I601-W605 HydrophobicContact CB-CE3 3.69Å; I601-W605 HydrophobicContact CB-CZ3 4.02Å; I601-W605 HydrophobicContact CD1-CB 4.05Å; I601-W605 HydrophobicContact CD1-CE3 4.18Å; I601-W605 HydrophobicContact CG1-CE3 4.43Å; I601-W605 HydrophobicContact CG2-CE3 4.15Å; I601-W605 HydrophobicContact CG2-CZ3 4.15Å; I601-L606 HydrophobicContact CD1-CD2 3.8Å; I601-L606 HydrophobicContact CD1-CG 4.12Å
602	P	92.6	Very high	77.8	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.013	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	126.4	169.5	-26.9	35.8	0	0	0	110.7	E310 E311 I604 W605	E310-P602 HydrophobicContact CG-CB 4.31Å; E310-P602 HydrophobicContact CG-CG 4.42Å; E310-P602 WeakPolarHBondContact OE1-CG 3.25Å; E311-P602 CarbonylContact O-C 3.52Å; E311-P602 WeakPolarHBondContact O-CA 3.43Å; P602-I604 HydrophobicContact CB-CD1 4.44Å; P602-I604 HydrophobicContact CB-CG1 3.78Å; P602-I604 PolarHBondContact O-N 3.27Å; P602-I604 VanDerWaalsContact O-N 3.14Å; P602-W605 HydrophobicContact CB-CD2 4.08Å; P602-W605 HydrophobicContact CB-CG 4.08Å; P602-W605 HydrophobicContact CB-CZ2 4.49Å; P602-W605 HydrophobicContact CG-CD2 3.9Å; P602-W605 HydrophobicContact CG-CE3 4.34Å; P602-W605 HydrophobicContact CG-CG 4.43Å; P602-W605 HydrophobicContact CG-CH2 4.05Å; P602-W605 HydrophobicContact CG-CZ2 3.61Å; P602-W605 HydrophobicContact CG-CZ3 4.39Å; P602-W605 VanDerWaalsContact O-CB 3.27Å; P602-W605 WeakPolarHBondContact O-CB 3.11Å; P602-W605 PolarHBondContact O-N 2.95Å
603	R	91.4	Very high	75	Confident	99 Å²	99	59.8 Å²	59.8	37%	0.374	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-57.1	-33.5	-177.3	-175.1	178.7	-176.9	-160.4	-0	112.1	E311 E313 I601 W605 L606	E311-R603 HydrophobicContact CB-CB 4.05Å; E311-R603 PolarHBondContact O-N 2.98Å; E311-R603 IonicContact OE2-NH1 2.6Å; E311-R603 PolarHBondContact OE2-NH1 2.84Å; E311-R603 VanDerWaalsContact OE2-NH1 3.09Å; E313-R603 HydrophobicContact CB-CB 4.46Å; E313-R603 HydrophobicContact CB-CG 4.4Å; E313-R603 IonicContact OE2-NE 3.73Å; I601-R603 PolarHBondContact O-N 2.77Å; R603-W605 PolarHBondContact O-N 3.27Å; R603-W605 VanDerWaalsContact O-N 3.13Å; R603-L606 WeakPolarHBondContact O-CB 3.5Å; R603-L606 PolarHBondContact O-N 2.9Å
604	I	89.9	Confident	72	Confident	120 Å²	120	64.6 Å²	64.6	62%	0.615	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-57.5	-24	175.3	57.1	167	0	0	0	113.3	P602 L606	P602-I604 HydrophobicContact CB-CD1 4.44Å; P602-I604 HydrophobicContact CB-CG1 3.78Å; P602-I604 PolarHBondContact O-N 3.27Å; P602-I604 VanDerWaalsContact O-N 3.14Å; I604-L606 PolarHBondContact O-N 3.48Å
605	W	91.7	Very high	69.2	Low	11 Å²	11	65.9 Å²	65.9	4%	0.042	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-73.1	-14.1	177.7	-64.7	-4	0	0	0	113.8	R430 K435 P436 I601 P602 R603	R430-W605 HydrophobicContact CB-CZ2 3.8Å; R430-W605 HydrophobicContact CG-CH2 4.46Å; R430-W605 HydrophobicContact CG-CZ2 4.09Å; R430-W605 PolarHBondContact O-NE1 2.85Å; K435-W605 HydrophobicContact CB-CE3 3.81Å; K435-W605 HydrophobicContact CB-CZ3 4.09Å; K435-W605 WeakPolarHBondContact CE-O 3.49Å; K435-W605 HydrophobicContact CG-CB 4.43Å; K435-W605 HydrophobicContact CG-CD2 4.49Å; K435-W605 HydrophobicContact CG-CE3 3.89Å; P436-W605 HydrophobicContact CG-CH2 4.42Å; I601-W605 HydrophobicContact CB-CE3 3.69Å; I601-W605 HydrophobicContact CB-CZ3 4.02Å; I601-W605 HydrophobicContact CD1-CB 4.05Å; I601-W605 HydrophobicContact CD1-CE3 4.18Å; I601-W605 HydrophobicContact CG1-CE3 4.43Å; I601-W605 HydrophobicContact CG2-CE3 4.15Å; I601-W605 HydrophobicContact CG2-CZ3 4.15Å; P602-W605 HydrophobicContact CB-CD2 4.08Å; P602-W605 HydrophobicContact CB-CG 4.08Å; P602-W605 HydrophobicContact CB-CZ2 4.49Å; P602-W605 HydrophobicContact CG-CD2 3.9Å; P602-W605 HydrophobicContact CG-CE3 4.34Å; P602-W605 HydrophobicContact CG-CG 4.43Å; P602-W605 HydrophobicContact CG-CH2 4.05Å; P602-W605 HydrophobicContact CG-CZ2 3.61Å; P602-W605 HydrophobicContact CG-CZ3 4.39Å; P602-W605 VanDerWaalsContact O-CB 3.27Å; P602-W605 WeakPolarHBondContact O-CB 3.11Å; P602-W605 PolarHBondContact O-N 2.95Å; R603-W605 PolarHBondContact O-N 3.27Å; R603-W605 VanDerWaalsContact O-N 3.13Å
606	L	86	Confident	66.5	Low	53 Å²	53	72.5 Å²	72.5	28%	0.277	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-23.6	179.7	-63.6	176.5	0	0	0	113.3	E313 Y315 I601 R603 I604 S608	E313-L606 HydrophobicContact CB-CD1 3.61Å; E313-L606 HydrophobicContact CG-CD1 3.6Å; E313-L606 WeakPolarHBondContact OE2-CD1 3.4Å; Y315-L606 HydrophobicContact CD2-CD2 3.94Å; I601-L606 HydrophobicContact CD1-CD2 3.8Å; I601-L606 HydrophobicContact CD1-CG 4.12Å; R603-L606 WeakPolarHBondContact O-CB 3.5Å; R603-L606 PolarHBondContact O-N 2.9Å; I604-L606 PolarHBondContact O-N 3.48Å; L606-S608 VanDerWaalsContact C-N 3.3Å; L606-S608 PolarHBondContact O-N 3.16Å
607	N	69	Low	63.8	Low	82 Å²	82	76.6 Å²	76.6	44%	0.439	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-79.1	-7.8	-170.2	-70.1	-19	0	0	0	114.7	T609 S610	N607-T609 PolarHBondContact O-N 2.8Å; N607-T609 VanDerWaalsContact O-N 3.09Å; N607-S610 PolarHBondContact O-N 2.92Å
608	S	54.9	Low	61.2	Low	43 Å²	43	77.3 Å²	77.3	30%	0.301	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-67.8	-8.4	-172.9	-60.4	0	0	0	0	114.8	S432 L606	S432-S608 VanDerWaalsContact CB-OG 3.29Å; S432-S608 WeakPolarHBondContact CB-OG 3.49Å; S432-S608 PolarHBondContact OG-OG 2.69Å; L606-S608 VanDerWaalsContact C-N 3.3Å; L606-S608 PolarHBondContact O-N 3.16Å
609	T	46.2	Very low	58.5	Low	127 Å²	127	86.9 Å²	86.9	78%	0.779	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-90.4	-7.4	179.7	46.1	0	0	0	0	115.1	N607	N607-T609 PolarHBondContact O-N 2.8Å; N607-T609 VanDerWaalsContact O-N 3.09Å
610	S	33.4	Very low	55.5	Low	70 Å²	70	90 Å²	90	49%	0.49	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-23.5	-175.2	52.6	0	0	0	0	116.7	N607	N607-S610 PolarHBondContact O-N 2.92Å
611	N	32.2	Very low	52.5	Low	100 Å²	100	99 Å²	99	54%	0.535	51%	0.51	S	S	.	.	S	Bend	trans	-101	-11.7	-174.7	-82.9	-21.1	0	0	0	115.7	L613 N614 S615	N611-L613 VanDerWaalsContact C-N 3.27Å; N611-L613 PolarHBondContact O-N 3.06Å; N611-N614 PolarHBondContact O-N 3.43Å; N611-S615 WeakPolarHBondContact O-CB 3.37Å; N611-S615 PolarHBondContact O-N 3.38Å; N611-S615 PolarHBondContact O-OG 3.04Å
612	E	35	Very low	49.7	Very low	100 Å²	100	105.6 Å²	105.6	47%	0.467	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.3	176	-71.1	-171.7	169.4	0	0	112.8	N614	E612-N614 VanDerWaalsContact C-N 3.32Å; E612-N614 PolarHBondContact O-N 3.42Å
613	L	33.5	Very low	46.5	Very low	152 Å²	152	113.7 Å²	113.7	80%	0.796	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-12.6	173.4	-75.8	160.2	0	0	0	114	N611	N611-L613 VanDerWaalsContact C-N 3.27Å; N611-L613 PolarHBondContact O-N 3.06Å
614	N	29.9	Very low	43.5	Very low	131 Å²	131	113.8 Å²	113.8	70%	0.701	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-5.1	-177.6	-76.1	-33	0	0	0	114.4	N611 E612	N611-N614 PolarHBondContact O-N 3.43Å; E612-N614 VanDerWaalsContact C-N 3.32Å; E612-N614 PolarHBondContact O-N 3.42Å
615	S	34.5	Very low	40.6	Very low	34 Å²	34	113.3 Å²	113.3	24%	0.238	62%	0.623	C	S	.	*	G	3₁₀ helix	trans	-97.4	4.9	-173.6	53.4	0	0	0	0	115.8	N611 N617 S618	N611-S615 WeakPolarHBondContact O-CB 3.37Å; N611-S615 PolarHBondContact O-N 3.38Å; N611-S615 PolarHBondContact O-OG 3.04Å; S615-N617 PolarHBondContact O-N 3.44Å; S615-N617 VanDerWaalsContact O-N 3.14Å; S615-S618 PolarHBondContact O-N 3.19Å
616	E	33.6	Very low	37.7	Very low	180 Å²	180	119.6 Å²	119.6	84%	0.841	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-63.1	-15.3	167.7	-74.1	-169.5	154.4	0	0	113
617	N	32.9	Very low	35	Very low	158 Å²	158	122.5 Å²	122.5	85%	0.845	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-100.6	2.8	176.3	-81.9	-27.3	0	0	0	115.4	S615	S615-N617 PolarHBondContact O-N 3.44Å; S615-N617 VanDerWaalsContact O-N 3.14Å
618	S	34.5	Very low	33.2	Very low	83 Å²	83	123.9 Å²	123.9	58%	0.58	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	6.2	-175.7	35.9	0	0	0	0	115.3	S615 S620	S615-S618 PolarHBondContact O-N 3.19Å; S618-S620 PolarHBondContact O-N 2.67Å
619	R	31.9	Very low	31.9	Very low	216 Å²	216	130.7 Å²	130.7	82%	0.815	73%	0.727	S	S	*	*			trans	-80.4	15.2	173.3	-84.8	-176.4	173.2	160.4	-0.2	115.4
620	S	28.5	Very low	31.3	Very low	102 Å²	102	131 Å²	131	71%	0.713	72%	0.724	S	S	*	*	S	Bend	trans	-99.4	23	-179	71.1	0	0	0	0	115.3	S618	S618-S620 PolarHBondContact O-N 2.67Å
621	Y	29.6	Very low	31.3	Very low	216 Å²	216	133.9 Å²	133.9	85%	0.847	74%	0.739	S	S	*	*	S	Bend	trans	-140.3	34.4	-173.6	-120.9	-85.7	0	0	0	115.4
622	V	31.9	Very low	31.3	Very low	138 Å²	138	136.1 Å²	136.1	84%	0.836	76%	0.756	S	S	*	*	S	Bend	trans	-147.7	57.3	163.3	-160.1	0	0	0	0	109.5
623	D	27	Very low	31	Very low	172 Å²	172	135.2 Å²	135.2	92%	0.92	77%	0.766	S	S	*	*			trans	-154.5	74.4	167.9	-97.7	-28.9	0	0	0	108.4
624	A	27.5	Very low	31.1	Very low	102 Å²	102	134.8 Å²	134.8	84%	0.843	77%	0.77	S	S	*	*			trans	-154.7	52.8	173.5	0	0	0	0	0	111.1
625	S	29.1	Very low	31.6	Very low	110 Å²	110	141 Å²	141	77%	0.769	79%	0.794	S	S	*	*	S	Bend	trans	-161	121.5	160.7	49.4	0	0	0	0	109.7
626	V	30.1	Very low	31.4	Very low	143 Å²	143	146.3 Å²	146.3	87%	0.867	82%	0.822	S	S	*	*	S	Bend	trans	90.9	78.4	170.6	-163.1	0	0	0	0	115.9
627	S	28.8	Very low	31.3	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	82%	0.821	S	S	*	*			trans	156.3	128.5	146.1	60.1	0	0	0	0	104.6
628	T	31.7	Very low	31.2	Very low	111 Å²	111	143.8 Å²	143.8	68%	0.681	82%	0.82	S	S	*	*			cis	-161.9	128.5	32.9	-53.2	0	0	0	0	105.2	N630	T628-N630 PolarHBondContact O-N 2.86Å
629	M	27.6	Very low	31	Very low	187 Å²	187	147.4 Å²	147.4	92%	0.921	83%	0.834	S	S	*	*			trans	-65.4	113.1	157.2	-81.6	-171.3	161.6	0	0	107.3
630	N	34.9	Very low	31	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	84%	0.835	S	S	*	*			trans	-152.5	98.4	154.8	-95.8	-24.8	0	0	0	109.5	T628	T628-N630 PolarHBondContact O-N 2.86Å
631	T	32.2	Very low	31.1	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	84%	0.843	S	S	*	*				40	99.2	129.8	-37	0	0	0	0	117.3
632	T	32.1	Very low	31.2	Very low	147 Å²	147	140.8 Å²	140.8	90%	0.902	84%	0.843	S	S	*	*			trans	-101.5	122	153.1	8.3	0	0	0	0	108.6
633	A	30.1	Very low	31.2	Very low	82 Å²	82	141 Å²	141	68%	0.678	84%	0.843	S	S	*	*			trans	-139.6	150.2	160.2	0	0	0	0	0	107.3
634	V	35.2	Very low	31.5	Very low	143 Å²	143	138.4 Å²	138.4	87%	0.867	84%	0.837	S	S	*	*			trans	82.1	98	-167.6	-161.8	0	0	0	0	110.5
635	Q	39.2	Very low	31.9	Very low	260 Å²	260	141.7 Å²	141.7	100%	1.215	84%	0.836	S	S	*	*			cis	-152.5	0	41.6	-147.4	175.9	1.1	0	0	111.2

Retrieved 635 of 635 residues in 397.7 ms (Link to these results)

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