A0A087YCA5_POEFO Loading...

cGMP-dependent protein kinase

AlphaFold DB , UniProt , Accession A0A087YCA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 686 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.8	Low	70.8	Confident	254 Å²	254	130.2 Å²	130.2	100%	1.251	67%	0.668	S	S	*	*				0	122.5	0	-82.4	-172.1	-118.7	0	0	107.1
2	G	59.4	Low	71.9	Confident	51 Å²	51	130.6 Å²	130.6	53%	0.526	67%	0.665	S	S	.	*			trans	115.3	40.8	170.3	0	0	0	0	0	118.2	D6	G2-D6 WeakPolarHBondContact CA-OD2 3.46Å
3	T	66	Low	73.1	Confident	120 Å²	120	130.5 Å²	130.5	74%	0.736	66%	0.66	S	S	*	*	S	Bend	trans	-142.7	8.4	-177.8	51.8	0	0	0	0	117.6
4	L	63.8	Low	73.9	Confident	127 Å²	127	129.9 Å²	129.9	67%	0.665	65%	0.651	S	S	*	*	S	Bend	trans	-127.7	-37.3	171.4	-149.3	98.3	0	0	0	112.5	Q8	L4-Q8 WeakPolarHBondContact O-CG 3.31Å; L4-Q8 PolarHBondContact O-N 2.99Å
5	R	69.6	Low	74.7	Confident	211 Å²	211	126.7 Å²	126.7	80%	0.796	64%	0.636	S	S	*	*	H	α-helix	trans	-68.9	-38.7	179.1	-130.6	175.1	-173.9	177	0	112.3	Q8 Y9	R5-Q8 PolarHBondContact O-N 2.94Å; R5-Y9 PolarHBondContact O-N 2.87Å
6	D	73.4	Confident	75.5	Confident	100 Å²	100	124.5 Å²	124.5	54%	0.535	62%	0.623	S	S	.	*	H	α-helix	trans	-72.2	-35.7	-180	-52	-47.5	0	0	0	111.6	G2 Y9 A10	G2-D6 WeakPolarHBondContact CA-OD2 3.46Å; D6-Y9 PolarHBondContact O-N 2.98Å; D6-A10 WeakPolarHBondContact O-CB 3.43Å; D6-A10 PolarHBondContact O-N 3.04Å
7	L	74.8	Confident	76.1	Confident	123 Å²	123	123.2 Å²	123.2	64%	0.644	61%	0.614	S	S	*	*	H	α-helix	trans	-67.6	-37.8	171.9	-83.9	166.1	0	0	0	112.2	Y9 L11	L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-L11 VanDerWaalsContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CB 3.21Å; L7-L11 PolarHBondContact O-N 3.24Å
8	Q	76.3	Confident	76.5	Confident	116 Å²	116	121.8 Å²	121.8	54%	0.542	61%	0.609	S	S	.	*	H	α-helix	trans	-64.5	-38.4	173.5	-80.7	178.7	-27.9	0	0	112	L4 R5 Q12	L4-Q8 WeakPolarHBondContact O-CG 3.31Å; L4-Q8 PolarHBondContact O-N 2.99Å; R5-Q8 PolarHBondContact O-N 2.94Å; Q8-Q12 PolarHBondContact O-N 3.41Å
9	Y	82.6	Confident	77	Confident	170 Å²	170	124.2 Å²	124.2	67%	0.667	61%	0.61	S	S	*	*	H	α-helix	trans	-68.3	-46.9	178.1	-147.9	-90.5	0	0	0	111.8	R5 D6 L7 L11 Q12 E13	R5-Y9 PolarHBondContact O-N 2.87Å; D6-Y9 PolarHBondContact O-N 2.98Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 2.81Å; Y9-Q12 WeakPolarHBondContact O-CB 3.4Å; Y9-Q12 PolarHBondContact O-N 2.63Å; Y9-E13 PolarHBondContact O-N 3.1Å
10	A	80.1	Confident	77.5	Confident	49 Å²	49	124.3 Å²	124.3	41%	0.405	61%	0.609	S	S	.	*	H	α-helix	trans	-64.1	-35.1	176.9	0	0	0	0	0	112.7	D6 E13 K14	D6-A10 WeakPolarHBondContact O-CB 3.43Å; D6-A10 PolarHBondContact O-N 3.04Å; A10-E13 PolarHBondContact O-N 2.94Å; A10-K14 PolarHBondContact O-N 2.79Å
11	L	79.9	Confident	77.8	Confident	111 Å²	111	126.7 Å²	126.7	58%	0.581	61%	0.611	S	S	*	*	H	α-helix	trans	-67.2	-40	174.2	-175.7	64.6	0	0	0	111.5	L7 Y9 K14 I15	L7-L11 VanDerWaalsContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CB 3.21Å; L7-L11 PolarHBondContact O-N 3.24Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 2.81Å; L11-K14 PolarHBondContact O-N 2.79Å; L11-I15 HydrophobicContact CD1-CD1 4.39Å; L11-I15 HydrophobicContact CG-CD1 4.01Å; L11-I15 WeakPolarHBondContact O-CD1 3.34Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.14Å; L11-I15 PolarHBondContact O-N 2.89Å
12	Q	84.3	Confident	79.3	Confident	135 Å²	135	118.9 Å²	118.9	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-63.7	-41.6	175.3	-111.2	174.7	-34.7	0	0	112.2	Q8 Y9 I15 E16	Q8-Q12 PolarHBondContact O-N 3.41Å; Y9-Q12 WeakPolarHBondContact O-CB 3.4Å; Y9-Q12 PolarHBondContact O-N 2.63Å; Q12-I15 PolarHBondContact O-N 2.92Å; Q12-E16 PolarHBondContact O-N 3.22Å; Q12-E16 VanDerWaalsContact O-N 3.09Å
13	E	87.3	Confident	80.6	Confident	129 Å²	129	119.1 Å²	119.1	60%	0.603	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-41.5	177.8	-165.2	174.3	-164.6	0	0	111.7	Y9 A10 E16 E17	Y9-E13 PolarHBondContact O-N 3.1Å; A10-E13 PolarHBondContact O-N 2.94Å; E13-E16 PolarHBondContact O-N 2.89Å; E13-E17 PolarHBondContact O-N 2.6Å
14	K	84.6	Confident	81.5	Confident	122 Å²	122	118 Å²	118	53%	0.53	56%	0.56	S	S	.	*	H	α-helix	trans	-68.7	-34.7	175.6	-79	-71.7	170.8	-157.8	0	113.8	A10 L11 E16 E17 L18	A10-K14 PolarHBondContact O-N 2.79Å; L11-K14 PolarHBondContact O-N 2.79Å; K14-E16 VanDerWaalsContact C-N 3.27Å; K14-E17 WeakPolarHBondContact CD-OE2 3.24Å; K14-E17 WeakPolarHBondContact CE-OE2 3.33Å; K14-E17 IonicContact NZ-OE2 3.87Å; K14-E17 PolarHBondContact NZ-OE2 3.46Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 3.17Å
15	I	86.4	Confident	82.6	Confident	83 Å²	83	115.3 Å²	115.3	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-36.6	173.9	-72.5	166.9	0	0	0	110.4	L11 Q12 R19	L11-I15 HydrophobicContact CD1-CD1 4.39Å; L11-I15 HydrophobicContact CG-CD1 4.01Å; L11-I15 WeakPolarHBondContact O-CD1 3.34Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.14Å; L11-I15 PolarHBondContact O-N 2.89Å; Q12-I15 PolarHBondContact O-N 2.92Å; I15-R19 PolarHBondContact O-N 3.48Å; I15-R19 VanDerWaalsContact O-N 3.08Å
16	E	86.7	Confident	83.3	Confident	91 Å²	91	110.3 Å²	110.3	43%	0.425	54%	0.535	S	S	.	.	H	α-helix	trans	-73.2	-40.1	178.4	-163.5	61.1	-160.6	0	0	112.3	Q12 E13 K14 L18 R19 Q20	Q12-E16 PolarHBondContact O-N 3.22Å; Q12-E16 VanDerWaalsContact O-N 3.09Å; E13-E16 PolarHBondContact O-N 2.89Å; K14-E16 VanDerWaalsContact C-N 3.27Å; E16-L18 VanDerWaalsContact C-N 3.33Å; E16-L18 PolarHBondContact O-N 2.9Å; E16-R19 PolarHBondContact O-N 2.85Å; E16-Q20 WeakPolarHBondContact O-CG 3.46Å; E16-Q20 PolarHBondContact O-N 2.79Å
17	E	86.2	Confident	84	Confident	102 Å²	102	111.9 Å²	111.9	48%	0.477	54%	0.539	S	S	.	.	H	α-helix	trans	-59.9	-41.6	171.4	-95.2	-172.4	154.5	0	0	112.4	E13 K14 Q20 R21	E13-E17 PolarHBondContact O-N 2.6Å; K14-E17 WeakPolarHBondContact CD-OE2 3.24Å; K14-E17 WeakPolarHBondContact CE-OE2 3.33Å; K14-E17 IonicContact NZ-OE2 3.87Å; K14-E17 PolarHBondContact NZ-OE2 3.46Å; E17-Q20 PolarHBondContact O-N 2.83Å; E17-R21 WeakPolarHBondContact O-CB 3.47Å; E17-R21 PolarHBondContact O-N 3.03Å
18	L	83.1	Confident	84.3	Confident	99 Å²	99	110.3 Å²	110.3	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-42.8	177.1	-78.9	167	0	0	0	111.2	K14 E16 Q20 R21 D22	K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 3.17Å; E16-L18 VanDerWaalsContact C-N 3.33Å; E16-L18 PolarHBondContact O-N 2.9Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 2.99Å; L18-R21 PolarHBondContact O-N 2.87Å; L18-D22 VanDerWaalsContact O-CG 3.3Å; L18-D22 PolarHBondContact O-N 3.44Å
19	R	86	Confident	84.5	Confident	167 Å²	167	110.2 Å²	110.2	63%	0.63	53%	0.531	S	S	*	.	H	α-helix	trans	-60.1	-41.3	174.4	-89.3	-176.4	178	164.2	-1.2	113.4	I15 E16 R21 A23	I15-R19 PolarHBondContact O-N 3.48Å; I15-R19 VanDerWaalsContact O-N 3.08Å; E16-R19 PolarHBondContact O-N 2.85Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.26Å; R19-A23 PolarHBondContact O-N 2.78Å
20	Q	87	Confident	84.7	Confident	125 Å²	125	106.9 Å²	106.9	58%	0.584	52%	0.524	S	S	*	.	H	α-helix	trans	-67.4	-35.6	178.1	-71.8	177.1	9.5	0	0	111.8	E16 E17 L18 L24	E16-Q20 WeakPolarHBondContact O-CG 3.46Å; E16-Q20 PolarHBondContact O-N 2.79Å; E17-Q20 PolarHBondContact O-N 2.83Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 2.99Å; Q20-L24 PolarHBondContact O-N 2.97Å; Q20-L24 VanDerWaalsContact O-N 3.16Å
21	R	83.5	Confident	85	Confident	176 Å²	176	108.7 Å²	108.7	66%	0.664	52%	0.524	S	S	*	.	H	α-helix	trans	-72	-42	177.2	-167.8	177	178.8	174	-0.7	112.3	E17 L18 R19 A23 L24 I25	E17-R21 WeakPolarHBondContact O-CB 3.47Å; E17-R21 PolarHBondContact O-N 3.03Å; L18-R21 PolarHBondContact O-N 2.87Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R21-A23 VanDerWaalsContact C-N 3.3Å; R21-A23 PolarHBondContact O-N 2.97Å; R21-L24 PolarHBondContact O-N 3.23Å; R21-I25 HydrophobicContact CG-CD1 4.28Å; R21-I25 WeakPolarHBondContact O-CG1 3.49Å; R21-I25 PolarHBondContact O-N 3.23Å
22	D	83.6	Confident	85.1	Confident	89 Å²	89	108.4 Å²	108.4	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-40.2	175.9	-68.7	-18.3	0	0	0	110.4	L18 L24 I25 D26	L18-D22 VanDerWaalsContact O-CG 3.3Å; L18-D22 PolarHBondContact O-N 3.44Å; D22-L24 PolarHBondContact O-N 2.99Å; D22-I25 PolarHBondContact O-N 3.11Å; D22-D26 PolarHBondContact O-N 2.92Å
23	A	87	Confident	85.1	Confident	57 Å²	57	107 Å²	107	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-36.4	174.7	0	0	0	0	0	113.7	R19 R21 E27	R19-A23 WeakPolarHBondContact O-CB 3.26Å; R19-A23 PolarHBondContact O-N 2.78Å; R21-A23 VanDerWaalsContact C-N 3.3Å; R21-A23 PolarHBondContact O-N 2.97Å; A23-E27 PolarHBondContact O-N 2.68Å; A23-E27 VanDerWaalsContact O-N 3.12Å
24	L	86	Confident	84.9	Confident	95 Å²	95	106.5 Å²	106.5	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-72.6	-32.8	176.1	-174.7	66.8	0	0	0	112.1	Q20 R21 D22 E27 L28	Q20-L24 PolarHBondContact O-N 2.97Å; Q20-L24 VanDerWaalsContact O-N 3.16Å; R21-L24 PolarHBondContact O-N 3.23Å; D22-L24 PolarHBondContact O-N 2.99Å; L24-E27 PolarHBondContact O-N 3.29Å; L24-L28 HydrophobicContact CG-CD1 4.23Å; L24-L28 WeakPolarHBondContact O-CB 3.19Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.96Å
25	I	85.8	Confident	84.6	Confident	71 Å²	71	106 Å²	106	36%	0.364	52%	0.515	S	S	.	.	H	α-helix	trans	-66.9	-46.9	174.3	-69.5	167.4	0	0	0	109.6	R21 D22 E27 L28 E29	R21-I25 HydrophobicContact CG-CD1 4.28Å; R21-I25 WeakPolarHBondContact O-CG1 3.49Å; R21-I25 PolarHBondContact O-N 3.23Å; D22-I25 PolarHBondContact O-N 3.11Å; I25-E27 VanDerWaalsContact C-N 3.25Å; I25-E27 PolarHBondContact O-N 3.25Å; I25-L28 PolarHBondContact O-N 2.95Å; I25-L28 VanDerWaalsContact O-N 3.16Å; I25-E29 HydrophobicContact CG2-CG 4.27Å; I25-E29 WeakPolarHBondContact O-CB 3.48Å; I25-E29 WeakPolarHBondContact O-CG 3.26Å; I25-E29 PolarHBondContact O-N 2.97Å
26	D	84.9	Confident	84.3	Confident	107 Å²	107	106.3 Å²	106.3	57%	0.572	52%	0.517	S	S	*	.	H	α-helix	trans	-58.4	-37.1	176.1	-69.7	-18	0	0	0	111.9	D22 L30	D22-D26 PolarHBondContact O-N 2.92Å; D26-L30 WeakPolarHBondContact O-CB 3.41Å; D26-L30 PolarHBondContact O-N 2.77Å; D26-L30 VanDerWaalsContact O-N 3.15Å
27	E	87.5	Confident	84.1	Confident	132 Å²	132	107 Å²	107	62%	0.617	52%	0.521	S	S	*	.	H	α-helix	trans	-69.5	-41.1	176.8	-171	171.7	-161.3	0	0	112.6	A23 L24 I25 L30 E31	A23-E27 PolarHBondContact O-N 2.68Å; A23-E27 VanDerWaalsContact O-N 3.12Å; L24-E27 PolarHBondContact O-N 3.29Å; I25-E27 VanDerWaalsContact C-N 3.25Å; I25-E27 PolarHBondContact O-N 3.25Å; E27-L30 PolarHBondContact O-N 3.38Å; E27-E31 PolarHBondContact O-N 3.38Å
28	L	80.9	Confident	83.9	Confident	90 Å²	90	106.7 Å²	106.7	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-72.3	-36.3	178.3	-73.3	170	0	0	0	112.7	L24 I25 L30 E31 L32	L24-L28 HydrophobicContact CG-CD1 4.23Å; L24-L28 WeakPolarHBondContact O-CB 3.19Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.96Å; I25-L28 PolarHBondContact O-N 2.95Å; I25-L28 VanDerWaalsContact O-N 3.16Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-E31 PolarHBondContact O-N 2.78Å; L28-L32 PolarHBondContact O-N 3.27Å
29	E	82.2	Confident	83.8	Confident	114 Å²	114	106 Å²	106	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-40	173.8	-73.6	-177.2	170	0	0	110.7	I25 E31 L32 D33	I25-E29 HydrophobicContact CG2-CG 4.27Å; I25-E29 WeakPolarHBondContact O-CB 3.48Å; I25-E29 WeakPolarHBondContact O-CG 3.26Å; I25-E29 PolarHBondContact O-N 2.97Å; E29-E31 PolarHBondContact O-N 3.48Å; E29-L32 WeakPolarHBondContact O-CB 3.29Å; E29-L32 PolarHBondContact O-N 3.17Å; E29-D33 PolarHBondContact O-N 3.43Å
30	L	86.2	Confident	83.1	Confident	100 Å²	100	103.9 Å²	103.9	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-36.1	174.4	-169.7	69.7	0	0	0	112.8	D26 E27 L28 L32 Q34	D26-L30 WeakPolarHBondContact O-CB 3.41Å; D26-L30 PolarHBondContact O-N 2.77Å; D26-L30 VanDerWaalsContact O-N 3.15Å; E27-L30 PolarHBondContact O-N 3.38Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-Q34 VanDerWaalsContact O-CG 3.27Å; L30-Q34 WeakPolarHBondContact O-CG 3.14Å; L30-Q34 PolarHBondContact O-N 3.27Å; L30-Q34 VanDerWaalsContact O-N 3.16Å
31	E	86.1	Confident	82.7	Confident	88 Å²	88	105.1 Å²	105.1	41%	0.411	51%	0.514	S	S	.	.	H	α-helix	trans	-70.7	-31.6	175.7	-154.3	-166.9	149.9	0	0	112.1	E27 L28 E29 K35	E27-E31 PolarHBondContact O-N 3.38Å; L28-E31 PolarHBondContact O-N 2.78Å; E29-E31 PolarHBondContact O-N 3.48Å; E31-K35 WeakPolarHBondContact O-CG 3.26Å; E31-K35 PolarHBondContact O-N 2.9Å; E31-K35 VanDerWaalsContact O-N 3.14Å; E31-K35 WeakPolarHBondContact OE1-CE 3.42Å; E31-K35 IonicContact OE1-NZ 2.67Å; E31-K35 PolarHBondContact OE1-NZ 2.92Å
32	L	82.6	Confident	82	Confident	104 Å²	104	101.3 Å²	101.3	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-49.1	173.2	-105.7	142.8	0	0	0	111.5	L28 E29 L30 Q34 K35 D36	L28-L32 PolarHBondContact O-N 3.27Å; E29-L32 WeakPolarHBondContact O-CB 3.29Å; E29-L32 PolarHBondContact O-N 3.17Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.33Å; L32-K35 PolarHBondContact O-N 3.31Å; L32-D36 PolarHBondContact O-N 3.34Å
33	D	83.1	Confident	81.2	Confident	105 Å²	105	102.2 Å²	102.2	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-58.3	-37.6	176.6	-77.6	-16.1	0	0	0	111.8	E29 E37	E29-D33 PolarHBondContact O-N 3.43Å; D33-E37 PolarHBondContact O-N 2.92Å
34	Q	83.6	Confident	80.2	Confident	119 Å²	119	104 Å²	104	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-36	175.6	-73.5	175.6	22.6	0	0	113.2	L30 L32 L38	L30-Q34 VanDerWaalsContact O-CG 3.27Å; L30-Q34 WeakPolarHBondContact O-CG 3.14Å; L30-Q34 PolarHBondContact O-N 3.27Å; L30-Q34 VanDerWaalsContact O-N 3.16Å; L32-Q34 PolarHBondContact O-N 3.33Å; Q34-L38 WeakPolarHBondContact O-CB 3.35Å; Q34-L38 PolarHBondContact O-N 2.93Å; Q34-L38 VanDerWaalsContact O-N 3.14Å
35	K	77.9	Confident	79.2	Confident	113 Å²	113	104.5 Å²	104.5	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-73.8	-36.5	176.3	-76.7	179	-175.4	157.3	0	111.7	E31 L32 L38 I39	E31-K35 WeakPolarHBondContact O-CG 3.26Å; E31-K35 PolarHBondContact O-N 2.9Å; E31-K35 VanDerWaalsContact O-N 3.14Å; E31-K35 WeakPolarHBondContact OE1-CE 3.42Å; E31-K35 IonicContact OE1-NZ 2.67Å; E31-K35 PolarHBondContact OE1-NZ 2.92Å; L32-K35 PolarHBondContact O-N 3.31Å; K35-L38 WeakPolarHBondContact O-CB 3.32Å; K35-L38 PolarHBondContact O-N 2.77Å; K35-I39 VanDerWaalsContact O-CG1 3.3Å; K35-I39 WeakPolarHBondContact O-CG1 3.2Å; K35-I39 PolarHBondContact O-N 2.81Å
36	D	81.1	Confident	77.9	Confident	89 Å²	89	105.9 Å²	105.9	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-40.1	176.3	-76.2	-17	0	0	0	111.8	L32 L38 I39 Q40	L32-D36 PolarHBondContact O-N 3.34Å; D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact O-N 2.86Å; D36-I39 PolarHBondContact O-N 3.02Å; D36-Q40 WeakPolarHBondContact O-CB 3.31Å; D36-Q40 PolarHBondContact O-N 3.39Å
37	E	82.6	Confident	76.8	Confident	106 Å²	106	105.2 Å²	105.2	50%	0.495	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-37.2	170.1	-89.1	-159.7	171.4	0	0	112.6	D33 Q40 R41	D33-E37 PolarHBondContact O-N 2.92Å; E37-Q40 PolarHBondContact O-N 2.82Å; E37-R41 WeakPolarHBondContact O-CG 2.96Å; E37-R41 PolarHBondContact O-N 3.43Å; E37-R41 IonicContact OE2-CZ 3.97Å; E37-R41 IonicContact OE2-NH2 3.99Å; E37-R41 PolarHBondContact OE2-NH2 2.9Å
38	L	81.3	Confident	75.3	Confident	95 Å²	95	105.9 Å²	105.9	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-67.7	-41.5	177.8	-177.5	63.4	0	0	0	111.5	Q34 K35 D36 R41 L42	Q34-L38 WeakPolarHBondContact O-CB 3.35Å; Q34-L38 PolarHBondContact O-N 2.93Å; Q34-L38 VanDerWaalsContact O-N 3.14Å; K35-L38 WeakPolarHBondContact O-CB 3.32Å; K35-L38 PolarHBondContact O-N 2.77Å; D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact O-N 2.86Å; L38-R41 PolarHBondContact O-N 2.82Å; L38-L42 HydrophobicContact CD1-CD1 4.4Å; L38-L42 HydrophobicContact CD1-CG 4.5Å; L38-L42 HydrophobicContact CG-CD1 4.18Å; L38-L42 WeakPolarHBondContact O-CG 3.38Å; L38-L42 PolarHBondContact O-N 2.99Å
39	I	81.6	Confident	73.8	Confident	85 Å²	85	109.4 Å²	109.4	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-45.6	174.2	-70.1	166	0	0	0	110.1	K35 D36 R41 L42 Q43	K35-I39 VanDerWaalsContact O-CG1 3.3Å; K35-I39 WeakPolarHBondContact O-CG1 3.2Å; K35-I39 PolarHBondContact O-N 2.81Å; D36-I39 PolarHBondContact O-N 3.02Å; I39-R41 VanDerWaalsContact C-N 3.33Å; I39-R41 PolarHBondContact O-N 2.57Å; I39-L42 PolarHBondContact O-N 3.03Å; I39-Q43 HydrophobicContact CG2-CG 4.46Å; I39-Q43 WeakPolarHBondContact O-CB 3.46Å; I39-Q43 VanDerWaalsContact O-CG 3.3Å; I39-Q43 WeakPolarHBondContact O-CG 2.88Å; I39-Q43 PolarHBondContact O-N 2.99Å
40	Q	71.8	Confident	72.4	Confident	122 Å²	122	113 Å²	113	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-34	179.7	-160.1	173.5	22.2	0	0	112.3	D36 E37 N44	D36-Q40 WeakPolarHBondContact O-CB 3.31Å; D36-Q40 PolarHBondContact O-N 3.39Å; E37-Q40 PolarHBondContact O-N 2.82Å; Q40-N44 WeakPolarHBondContact O-CB 3.26Å; Q40-N44 VanDerWaalsContact O-CG 3.23Å; Q40-N44 PolarHBondContact O-N 3.38Å; Q40-N44 PolarHBondContact O-ND2 3.45Å
41	R	77.8	Confident	70.5	Confident	151 Å²	151	112.5 Å²	112.5	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-70.3	-43.7	172.8	-75.9	-177.7	-140.1	168.5	6.6	113	E37 L38 I39 Q43 N44 E45	E37-R41 WeakPolarHBondContact O-CG 2.96Å; E37-R41 PolarHBondContact O-N 3.43Å; E37-R41 IonicContact OE2-CZ 3.97Å; E37-R41 IonicContact OE2-NH2 3.99Å; E37-R41 PolarHBondContact OE2-NH2 2.9Å; L38-R41 PolarHBondContact O-N 2.82Å; I39-R41 VanDerWaalsContact C-N 3.33Å; I39-R41 PolarHBondContact O-N 2.57Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 3.43Å; R41-N44 PolarHBondContact O-N 2.95Å; R41-E45 PolarHBondContact O-N 3.48Å
42	L	69.1	Low	68.7	Low	95 Å²	95	114.7 Å²	114.7	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-33.9	177.7	-72.4	170.9	0	0	0	111.8	L38 I39 E45 L46	L38-L42 HydrophobicContact CD1-CD1 4.4Å; L38-L42 HydrophobicContact CD1-CG 4.5Å; L38-L42 HydrophobicContact CG-CD1 4.18Å; L38-L42 WeakPolarHBondContact O-CG 3.38Å; L38-L42 PolarHBondContact O-N 2.99Å; I39-L42 PolarHBondContact O-N 3.03Å; L42-E45 PolarHBondContact O-N 2.81Å; L42-L46 WeakPolarHBondContact O-CB 3.36Å; L42-L46 PolarHBondContact O-N 2.98Å
43	Q	67.3	Low	66.9	Low	108 Å²	108	116.4 Å²	116.4	51%	0.505	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-45.2	170.6	-75.2	174.4	-13.7	0	0	111.9	I39 R41 E45 L46 D47	I39-Q43 HydrophobicContact CG2-CG 4.46Å; I39-Q43 WeakPolarHBondContact O-CB 3.46Å; I39-Q43 VanDerWaalsContact O-CG 3.3Å; I39-Q43 WeakPolarHBondContact O-CG 2.88Å; I39-Q43 PolarHBondContact O-N 2.99Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-Q43 PolarHBondContact O-N 3.43Å; Q43-E45 VanDerWaalsContact C-N 3.29Å; Q43-E45 PolarHBondContact O-N 3.27Å; Q43-L46 PolarHBondContact O-N 3.3Å; Q43-D47 WeakPolarHBondContact O-CB 3.38Å; Q43-D47 PolarHBondContact O-N 2.85Å
44	N	64.1	Low	64.8	Low	94 Å²	94	120.5 Å²	120.5	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-63	-31.3	175	-76.6	-37.4	0	0	0	113.1	Q40 R41 K48	Q40-N44 WeakPolarHBondContact O-CB 3.26Å; Q40-N44 VanDerWaalsContact O-CG 3.23Å; Q40-N44 PolarHBondContact O-N 3.38Å; Q40-N44 PolarHBondContact O-ND2 3.45Å; R41-N44 PolarHBondContact O-N 2.95Å; N44-K48 WeakPolarHBondContact O-CB 3.3Å; N44-K48 PolarHBondContact O-N 2.95Å; N44-K48 VanDerWaalsContact O-N 3.08Å
45	E	64.9	Low	62.4	Low	106 Å²	106	121 Å²	121	50%	0.495	58%	0.584	S	S	.	*	H	α-helix	trans	-72.8	-44.6	171.8	-76.6	-162.7	155.9	0	0	112.3	R41 L42 Q43 D47 K48 Y49	R41-E45 PolarHBondContact O-N 3.48Å; L42-E45 PolarHBondContact O-N 2.81Å; Q43-E45 VanDerWaalsContact C-N 3.29Å; Q43-E45 PolarHBondContact O-N 3.27Å; E45-D47 VanDerWaalsContact C-N 3.27Å; E45-D47 PolarHBondContact O-N 3.41Å; E45-K48 WeakPolarHBondContact O-CB 3.2Å; E45-K48 PolarHBondContact O-N 3.5Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-Y49 HydrophobicContact CB-CE2 4.43Å; E45-Y49 WeakPolarHBondContact O-CD2 3.42Å; E45-Y49 PolarHBondContact O-N 2.92Å
46	L	58.7	Low	60.1	Low	100 Å²	100	120 Å²	120	52%	0.524	60%	0.597	S	S	.	*	H	α-helix	trans	-57.3	-40.2	173.6	-103.4	159	0	0	0	112.1	L42 Q43 Y49 R50	L42-L46 WeakPolarHBondContact O-CB 3.36Å; L42-L46 PolarHBondContact O-N 2.98Å; Q43-L46 PolarHBondContact O-N 3.3Å; L46-Y49 PolarHBondContact O-N 3.34Å; L46-R50 WeakPolarHBondContact O-CG 3.49Å; L46-R50 PolarHBondContact O-N 3.31Å
47	D	62.2	Low	57.5	Low	93 Å²	93	122 Å²	122	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-72.3	-34.3	177.2	-75.7	-20	0	0	0	112.3	Q43 E45 R50 S51	Q43-D47 WeakPolarHBondContact O-CB 3.38Å; Q43-D47 PolarHBondContact O-N 2.85Å; E45-D47 VanDerWaalsContact C-N 3.27Å; E45-D47 PolarHBondContact O-N 3.41Å; D47-R50 PolarHBondContact O-N 3.27Å; D47-S51 WeakPolarHBondContact O-CB 3.39Å; D47-S51 PolarHBondContact O-N 2.97Å
48	K	55.5	Low	55	Low	147 Å²	147	125.7 Å²	125.7	64%	0.639	63%	0.629	S	S	*	*	H	α-helix	trans	-64.1	-42.2	169.5	-92.1	179.5	176.2	175.2	0	112.4	N44 E45 S51	N44-K48 WeakPolarHBondContact O-CB 3.3Å; N44-K48 PolarHBondContact O-N 2.95Å; N44-K48 VanDerWaalsContact O-N 3.08Å; E45-K48 WeakPolarHBondContact O-CB 3.2Å; E45-K48 PolarHBondContact O-N 3.5Å; E45-K48 VanDerWaalsContact O-N 3.16Å; K48-S51 PolarHBondContact O-N 2.87Å; K48-S51 VanDerWaalsContact O-N 3.15Å; K48-S51 PolarHBondContact O-OG 3.28Å
49	Y	50.3	Low	52.7	Low	163 Å²	163	128.8 Å²	128.8	64%	0.639	64%	0.641	S	S	*	*	H	α-helix	trans	-68.1	-34.9	176.8	-74.8	-65.4	0	0	0	112.5	E45 L46 S51	E45-Y49 HydrophobicContact CB-CE2 4.43Å; E45-Y49 WeakPolarHBondContact O-CD2 3.42Å; E45-Y49 PolarHBondContact O-N 2.92Å; L46-Y49 PolarHBondContact O-N 3.34Å; Y49-S51 VanDerWaalsContact C-N 3.26Å; Y49-S51 PolarHBondContact O-N 3.1Å
50	R	53.1	Low	50.3	Low	190 Å²	190	131.2 Å²	131.2	72%	0.717	66%	0.66	S	S	*	*	H	α-helix	trans	-65.3	-28.2	170.5	-75.3	175.1	177.5	-163.2	-1.5	112.9	L46 D47 I52	L46-R50 WeakPolarHBondContact O-CG 3.49Å; L46-R50 PolarHBondContact O-N 3.31Å; D47-R50 PolarHBondContact O-N 3.27Å; R50-I52 PolarHBondContact O-N 3.2Å
51	S	46.7	Very low	48.3	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-12.9	-177.1	78	0	0	0	0	115.8	D47 K48 Y49	D47-S51 WeakPolarHBondContact O-CB 3.39Å; D47-S51 PolarHBondContact O-N 2.97Å; K48-S51 PolarHBondContact O-N 2.87Å; K48-S51 VanDerWaalsContact O-N 3.15Å; K48-S51 PolarHBondContact O-OG 3.28Å; Y49-S51 VanDerWaalsContact C-N 3.26Å; Y49-S51 PolarHBondContact O-N 3.1Å
52	I	48.1	Very low	45.9	Very low	134 Å²	134	132.4 Å²	132.4	69%	0.687	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-13.6	-171.6	-63	170.1	0	0	0	113.1	R50	R50-I52 PolarHBondContact O-N 3.2Å
53	I	45.2	Very low	43.9	Very low	140 Å²	140	137.3 Å²	137.3	72%	0.718	69%	0.689	S	S	*	*	S	Bend	trans	-111.9	70.9	-175.7	-51.6	179.2	0	0	0	111.9
54	K	37.5	Very low	42.1	Very low	190 Å²	190	136 Å²	136	83%	0.826	69%	0.689	S	S	*	*				159.1	141.1	128.6	-89.8	-177.3	179.4	179.7	0	112.3
55	P	33.4	Very low	40.3	Very low	130 Å²	130	137.1 Å²	137.1	84%	0.844	69%	0.691	S	S	*	*			trans	-74.7	150.2	-176.3	-6.1	23.7	0	0	0	113.2
56	A	29.1	Very low	38.5	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	71%	0.713	S	S	*	*			trans	-71.7	136.7	-178.2	0	0	0	0	0	113.9
57	T	27.1	Very low	37.3	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	72%	0.721	S	S	*	*				-158.7	123.1	121.1	16.3	0	0	0	0	111.8
58	Q	30.2	Very low	35.7	Very low	185 Å²	185	145.7 Å²	145.7	86%	0.864	73%	0.73	S	S	*	*			trans	83	91.9	149.8	-63	179	-2.8	0	0	119.5	V60	Q58-V60 PolarHBondContact O-N 2.89Å
59	Q	32.8	Very low	34.7	Very low	160 Å²	160	147 Å²	147	75%	0.748	74%	0.739	S	S	*	*			trans	-69.6	107.5	163.3	-68.1	175.9	-15.1	0	0	111.8
60	V	30.9	Very low	34.2	Very low	136 Å²	136	147.7 Å²	147.7	82%	0.824	75%	0.748	S	S	*	*	S	Bend	trans	-141.1	10.2	147.3	-170.8	0	0	0	0	112.1	Q58	Q58-V60 PolarHBondContact O-N 2.89Å
61	H	29.9	Very low	34.2	Very low	135 Å²	135	142.5 Å²	142.5	63%	0.625	73%	0.728	S	S	*	*			trans	-126.5	38.2	-171.9	-93.7	17	0	0	0	116.1	Q63	H61-Q63 PolarHBondContact O-N 2.93Å
62	K	28.5	Very low	35	Very low	162 Å²	162	143.1 Å²	143.1	70%	0.704	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	32.5	-176.5	-85.4	-169.2	173.4	-168.7	0	116.8
63	Q	25.9	Very low	36.1	Very low	199 Å²	199	140.6 Å²	140.6	93%	0.93	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	0.7	162.3	-93.8	-176.3	-10.9	0	0	114	H61	H61-Q63 PolarHBondContact O-N 2.93Å
64	T	29.4	Very low	37.7	Very low	79 Å²	79	136.1 Å²	136.1	49%	0.485	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.8	-17.9	-175	-26.3	0	0	0	0	113.7	L66 Q67	T64-L66 PolarHBondContact O-N 2.68Å; T64-Q67 PolarHBondContact O-N 3.32Å
65	E	26.2	Very low	39.4	Very low	118 Å²	118	135.3 Å²	135.3	55%	0.551	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-0.2	-166.2	-71.9	177.7	162.8	0	0	116.5	Q67	E65-Q67 VanDerWaalsContact C-N 3.3Å
66	L	29.2	Very low	41.3	Very low	182 Å²	182	130.5 Å²	130.5	95%	0.953	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-3	168.3	-85.1	159.1	0	0	0	113	T64	T64-L66 PolarHBondContact O-N 2.68Å
67	Q	32	Very low	43.6	Very low	150 Å²	150	128.4 Å²	128.4	70%	0.701	63%	0.632	S	S	*	*	S	Bend	trans	-102	-5.5	174.8	-82.3	-178.4	-16.8	0	0	114.1	T64 E65 Q69	T64-Q67 PolarHBondContact O-N 3.32Å; E65-Q67 VanDerWaalsContact C-N 3.3Å; Q67-Q69 VanDerWaalsContact C-N 3.34Å; Q67-Q69 PolarHBondContact O-N 2.95Å
68	E	29.5	Very low	45.6	Very low	147 Å²	147	123.7 Å²	123.7	69%	0.687	61%	0.605	S	S	*	*			trans	-94	55.7	178	-71.4	-176	165.4	0	0	111.8	Q70	E68-Q70 PolarHBondContact O-N 3.4Å
69	Q	34.9	Very low	47.2	Very low	176 Å²	176	115 Å²	115	82%	0.822	57%	0.565	S	S	*	*	S	Bend	trans	-60.6	125.8	142.8	-79.4	178.9	-12.8	0	0	105.3	Q67 R71	Q67-Q69 VanDerWaalsContact C-N 3.34Å; Q67-Q69 PolarHBondContact O-N 2.95Å; Q69-R71 PolarHBondContact O-N 3.3Å
70	Q	38.4	Very low	48.7	Very low	176 Å²	176	110.6 Å²	110.6	82%	0.822	54%	0.544	S	S	*	.			trans	-45.4	107.1	170.4	-81.3	174.7	-20.1	0	0	107.5	E68 T72	E68-Q70 PolarHBondContact O-N 3.4Å; Q70-T72 VanDerWaalsContact C-N 3.26Å; Q70-T72 PolarHBondContact O-N 3.06Å
71	R	54	Low	50.1	Low	81 Å²	81	105.9 Å²	105.9	31%	0.306	52%	0.516	S	S	.	.			trans	-66.2	94.4	178	-69.6	-179.9	-179.8	178.8	-1.7	105.6	Q69 W462 R466 G469 G569	Q69-R71 PolarHBondContact O-N 3.3Å; R71-W462 HydrophobicContact CB-CZ2 4.49Å; R71-W462 WeakPolarHBondContact O-CH2 3.48Å; R71-W462 WeakPolarHBondContact O-CZ2 3.33Å; R71-R466 HydrophobicContact CB-CG 4.46Å; R71-G469 PolarHBondContact NH1-O 2.91Å; R71-G569 PolarHBondContact NH1-O 3.49Å; R71-G569 PolarHBondContact NH2-O 3.34Å
72	T	62	Low	51.3	Low	104 Å²	104	102.5 Å²	102.5	64%	0.638	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-82.9	147.7	173.1	50.5	0	0	0	0	109	Q70 R74	Q70-T72 VanDerWaalsContact C-N 3.26Å; Q70-T72 PolarHBondContact O-N 3.06Å; T72-R74 PolarHBondContact O-N 2.88Å
73	K	72.8	Confident	52.2	Low	81 Å²	81	99.5 Å²	99.5	35%	0.352	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-56	135.7	174.9	-66.3	-171	-175.8	-173.1	0	110	E460 W462	K73-E460 WeakPolarHBondContact CE-OE2 3.44Å; K73-E460 IonicContact NZ-OE1 2.91Å; K73-E460 PolarHBondContact NZ-OE1 3.23Å; K73-E460 IonicContact NZ-OE2 2.82Å; K73-E460 PolarHBondContact NZ-OE2 2.8Å; K73-W462 HydrophobicContact CD-CE3 4.48Å; K73-W462 HydrophobicContact CD-CZ3 4.33Å; K73-W462 HydrophobicContact CG-CD2 4.24Å; K73-W462 HydrophobicContact CG-CE3 3.99Å; K73-W462 HydrophobicContact CG-CH2 3.64Å; K73-W462 HydrophobicContact CG-CZ2 3.88Å; K73-W462 HydrophobicContact CG-CZ3 3.7Å
74	R	79.1	Confident	53.4	Low	46 Å²	46	93.9 Å²	93.9	17%	0.174	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-81	140	-177.6	-70.2	168.6	-72.2	-154.4	-4.3	111.7	T72 E503 T536 E538 E565	T72-R74 PolarHBondContact O-N 2.88Å; R74-E503 IonicContact CZ-OE1 3.56Å; R74-E503 IonicContact CZ-OE2 2.76Å; R74-E503 PolarHBondContact N-OE1 3.27Å; R74-E503 IonicContact NE-OE1 3.38Å; R74-E503 PolarHBondContact NE-OE1 2.99Å; R74-E503 IonicContact NE-OE2 2.74Å; R74-E503 IonicContact NH2-OE1 2.94Å; R74-E503 PolarHBondContact NH2-OE1 2.7Å; R74-E503 IonicContact NH2-OE2 2.69Å; R74-E503 PolarHBondContact NH2-OE2 3.44Å; R74-T536 HydrophobicContact CB-CG2 3.66Å; R74-T536 HydrophobicContact CG-CG2 4.36Å; R74-E538 WeakPolarHBondContact CD-OE2 3.47Å; R74-E565 IonicContact CZ-OE1 3.72Å; R74-E565 IonicContact CZ-OE2 3.86Å; R74-E565 IonicContact NH1-OE1 3.17Å; R74-E565 PolarHBondContact NH1-OE1 2.69Å; R74-E565 IonicContact NH1-OE2 2.68Å; R74-E565 PolarHBondContact NH1-OE2 3Å; R74-E565 VanDerWaalsContact NH2-CD 3.33Å; R74-E565 IonicContact NH2-OE1 2.8Å; R74-E565 PolarHBondContact NH2-OE1 3.45Å; R74-E565 IonicContact NH2-OE2 3.32Å; R74-E565 PolarHBondContact NH2-OE2 3.39Å; R74-E565 VanDerWaalsContact NH2-OE2 3.13Å
75	Q	72.6	Confident	54.6	Low	172 Å²	172	94.8 Å²	94.8	80%	0.804	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-93.8	128.1	175	-68.9	-176.7	-12.3	0	0	110.2
76	A	72.4	Confident	56.1	Low	30 Å²	30	92.5 Å²	92.5	25%	0.248	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-79.6	155.8	170.5	0	0	0	0	0	110.6	F520 G535	A76-F520 HydrophobicContact CB-CD2 4.26Å; A76-F520 HydrophobicContact CB-CE2 3.31Å; A76-F520 HydrophobicContact CB-CZ 3.83Å; A76-G535 WeakPolarHBondContact CA-O 3.26Å
77	I	77.2	Confident	57.5	Low	48 Å²	48	91.2 Å²	91.2	25%	0.246	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154.3	178.9	52.8	-175	0	0	0	109.8	F533 C534 G535 P537 Y582	I77-F533 HydrophobicContact CD1-CD1 4.49Å; I77-F533 HydrophobicContact CD1-CE1 3.5Å; I77-F533 VanDerWaalsContact CD1-CE1 3.5Å; I77-F533 HydrophobicContact CD1-CZ 4.21Å; I77-F533 HydrophobicContact CG1-CE1 3.91Å; I77-C534 CarbonylContact O-C 3.56Å; I77-C534 WeakPolarHBondContact O-CA 3.29Å; I77-C534 WeakPolarHBondContact O-CB 3.41Å; I77-G535 WeakPolarHBondContact CG1-O 3.38Å; I77-G535 PolarHBondContact N-O 3.23Å; I77-G535 PolarHBondContact O-N 3.43Å; I77-P537 HydrophobicContact CD1-CG 4.15Å; I77-Y582 WeakPolarHBondContact CD1-OH 3.15Å
78	S	70.3	Confident	58.8	Low	31 Å²	31	88.8 Å²	88.8	22%	0.217	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	134.2	173.5	179.5	0	0	0	0	112.2	F520 F533	S78-F520 VanDerWaalsContact CB-CE1 3.42Å; S78-F533 CarbonylContact C-O 3.47Å; S78-F533 WeakPolarHBondContact CA-O 3.33Å
79	A	62.5	Low	60.6	Low	3 Å²	3	81.9 Å²	81.9	3%	0.025	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	101.4	179.2	0	0	0	0	0	108.4	N187 F533	A79-N187 HydrophobicContact CB-CB 3.29Å; A79-F533 HydrophobicContact CB-CB 4.17Å; A79-F533 HydrophobicContact CB-CD1 4.49Å; A79-F533 PolarHBondContact N-O 2.88Å; A79-F533 PolarHBondContact O-N 3.39Å
80	E	65.1	Low	61.8	Low	67 Å²	67	75.9 Å²	75.9	31%	0.313	40%	0.402	S	S	.	.			trans	-73.7	143.9	174.3	-73.2	-64.8	159.5	0	0	111.1	H420 T532	E80-H420 WeakPolarHBondContact CG-NE2 3.46Å; E80-H420 IonicContact OE1-CD2 2.64Å; E80-H420 IonicContact OE1-CE1 2.97Å; E80-H420 IonicContact OE1-NE2 3.85Å; E80-H420 PolarHBondContact OE1-NE2 2.78Å; E80-T532 VanDerWaalsContact CD-OG1 3.29Å; E80-T532 HydrophobicContact CG-CG2 4.17Å; E80-T532 WeakPolarHBondContact OE1-CG2 3.35Å; E80-T532 PolarHBondContact OE1-OG1 3.45Å; E80-T532 PolarHBondContact OE2-OG1 3.39Å
81	P	59.6	Low	63.1	Low	37 Å²	37	74.9 Å²	74.9	24%	0.24	40%	0.397	C	S	.	.			trans	-61.9	147.9	169.2	-16.7	31.1	0	0	0	110.3	A83 M215 W531	P81-A83 PolarHBondContact O-N 3.09Å; P81-M215 HydrophobicContact CB-SD 4.23Å; P81-W531 HydrophobicContact CG-CB 4.13Å
82	T	55.1	Low	63.9	Low	63 Å²	63	72.6 Å²	72.6	39%	0.387	39%	0.392	S	S	.	.			trans	-75.2	87.6	179.8	-39.4	0	0	0	0	110.2	F84 Q211	T82-F84 WeakPolarHBondContact O-CD2 3.45Å; T82-F84 PolarHBondContact O-N 3.46Å; T82-Q211 PolarHBondContact OG1-OE1 2.94Å
83	A	47.4	Very low	64.6	Low	100 Å²	100	73.9 Å²	73.9	83%	0.826	40%	0.4	S	S	*	.	S	Bend	trans	34	45.3	158.3	0	0	0	0	0	119.4	P81	P81-A83 PolarHBondContact O-N 3.09Å
84	F	51	Low	65.1	Low	81 Å²	81	71.5 Å²	71.5	36%	0.355	39%	0.391	S	S	.	.			trans	-104.4	133.8	161.2	-69.8	-68.7	0	0	0	109.3	T82 I86 L89 Q208	T82-F84 WeakPolarHBondContact O-CD2 3.45Å; T82-F84 PolarHBondContact O-N 3.46Å; F84-I86 PolarHBondContact O-N 3.46Å; F84-L89 HydrophobicContact CB-CD2 3.64Å; F84-L89 HydrophobicContact CB-CG 3.97Å; F84-L89 HydrophobicContact CD2-CD2 4.03Å; F84-L89 HydrophobicContact CG-CD2 4Å; F84-Q208 HydrophobicContact CE2-CG 3.85Å
85	D	55.8	Low	65.3	Low	97 Å²	97	71.8 Å²	71.8	52%	0.519	40%	0.399	S	S	.	.			trans	-61.5	134.3	163.8	-158.9	-28.3	0	0	0	107.6	Q87 D88 L89	D85-Q87 PolarHBondContact O-N 2.97Å; D85-Q87 VanDerWaalsContact O-N 3.09Å; D85-D88 PolarHBondContact O-N 3.36Å; D85-L89 PolarHBondContact O-N 2.96Å
86	I	57.9	Low	66.2	Low	71 Å²	71	69.9 Å²	69.9	36%	0.364	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.9	-176.3	-70.1	161.4	0	0	0	110.4	F84 M215 L219 W531	F84-I86 PolarHBondContact O-N 3.46Å; I86-M215 HydrophobicContact CG1-CE 4.4Å; I86-L219 HydrophobicContact CG2-CD1 3.73Å; I86-L219 HydrophobicContact CG2-CD2 3.55Å; I86-L219 HydrophobicContact CG2-CG 4.31Å; I86-W531 HydrophobicContact CD1-CE3 3.91Å; I86-W531 HydrophobicContact CD1-CZ3 3.7Å; I86-W531 HydrophobicContact CG1-CE3 4.46Å; I86-W531 HydrophobicContact CG1-CZ3 4.36Å; I86-W531 HydrophobicContact CG2-CZ3 4.48Å
87	Q	57.4	Low	67.2	Low	155 Å²	155	72.7 Å²	72.7	72%	0.724	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.4	177.7	-61.9	-175.1	-4.9	0	0	113.4	D85 S90	D85-Q87 PolarHBondContact O-N 2.97Å; D85-Q87 VanDerWaalsContact O-N 3.09Å; Q87-S90 PolarHBondContact O-OG 3.03Å
88	D	60.8	Low	67.8	Low	98 Å²	98	74.5 Å²	74.5	52%	0.524	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.6	-178.2	-68.5	-31.1	0	0	0	112.8	D85 S90 H91	D85-D88 PolarHBondContact O-N 3.36Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.45Å; D88-H91 PolarHBondContact O-N 2.96Å; D88-H91 VanDerWaalsContact O-N 3.17Å
89	L	66.2	Low	68.9	Low	3 Å²	3	74.4 Å²	74.4	2%	0.016	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-62.5	-29.1	-176.9	-75	169.8	0	0	0	113.7	F84 D85 H91 V92 T212 M215 L219	F84-L89 HydrophobicContact CB-CD2 3.64Å; F84-L89 HydrophobicContact CB-CG 3.97Å; F84-L89 HydrophobicContact CD2-CD2 4.03Å; F84-L89 HydrophobicContact CG-CD2 4Å; D85-L89 PolarHBondContact O-N 2.96Å; L89-H91 PolarHBondContact O-N 3.4Å; L89-V92 PolarHBondContact O-N 2.86Å; L89-T212 HydrophobicContact CD2-CG2 4.13Å; L89-M215 HydrophobicContact CD1-CB 4.19Å; L89-M215 HydrophobicContact CD1-CE 3.5Å; L89-M215 HydrophobicContact CD1-SD 4.26Å; L89-L219 HydrophobicContact CB-CD1 4.46Å; L89-L219 HydrophobicContact CD1-CD1 3.78Å
90	S	60.6	Low	70.4	Confident	50 Å²	50	76.5 Å²	76.5	35%	0.35	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-64.8	-27.8	178.5	61.4	0	0	0	0	112.6	Q87 D88 R216	Q87-S90 PolarHBondContact O-OG 3.03Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.45Å; S90-R216 PolarHBondContact O-NH2 2.81Å
91	H	64.4	Low	71.7	Confident	155 Å²	155	78.1 Å²	78.1	72%	0.718	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-98.9	-3.6	-176.3	-62.5	-61.9	0	0	0	114.2	D88 L89 T93	D88-H91 PolarHBondContact O-N 2.96Å; D88-H91 VanDerWaalsContact O-N 3.17Å; L89-H91 PolarHBondContact O-N 3.4Å; H91-T93 PolarHBondContact O-N 3.22Å
92	V	72.3	Confident	73.3	Confident	32 Å²	32	83.9 Å²	83.9	19%	0.194	47%	0.465	C	S	.	.			trans	-65.4	124.3	179.4	178.2	0	0	0	0	110.1	L89 L94 T212 R216	L89-V92 PolarHBondContact O-N 2.86Å; V92-L94 PolarHBondContact O-N 2.79Å; V92-T212 HydrophobicContact CB-CG2 4.26Å; V92-T212 HydrophobicContact CG1-CG2 4.01Å; V92-R216 VanDerWaalsContact O-CZ 3.26Å; V92-R216 PolarHBondContact O-NH1 2.87Å; V92-R216 PolarHBondContact O-NH2 2.96Å
93	T	75.6	Confident	75.2	Confident	131 Å²	131	81.3 Å²	81.3	80%	0.804	45%	0.45	S	S	*	.			trans	-84.4	113.9	172.4	-57	0	0	0	0	108.5	H91	H91-T93 PolarHBondContact O-N 3.22Å
94	L	83.4	Confident	77.4	Confident	32 Å²	32	79.1 Å²	79.1	17%	0.168	42%	0.422	C	S	.	.			trans	-75	143.2	176.6	-69.8	171.8	0	0	0	110.3	V92 E127 T212 I213	V92-L94 PolarHBondContact O-N 2.79Å; L94-E127 VanDerWaalsContact CD1-OE2 3.26Å; L94-E127 WeakPolarHBondContact CD1-OE2 3.24Å; L94-T212 HydrophobicContact CD2-CG2 3.83Å; L94-I213 HydrophobicContact CD1-CD1 4.44Å; L94-I213 HydrophobicContact CD1-CG1 3.55Å; L94-I213 HydrophobicContact CD2-CG1 4.05Å; L94-I213 HydrophobicContact CG-CG1 4.46Å
95	P	84.6	Confident	79.4	Confident	51 Å²	51	80 Å²	80	33%	0.331	43%	0.43	S	S	.	.			trans	-67.6	140.9	178.2	29.9	-34.8	0	0	0	110.4	Y97 C131	P95-Y97 HydrophobicContact CB-CE2 3.69Å; P95-Y97 HydrophobicContact CG-CE2 4.09Å; P95-C131 WeakPolarHBondContact O-CA 3.07Å; P95-C131 PolarHBondContact O-SG 3.39Å
96	F	90.9	Very high	81.4	Confident	132 Å²	132	77.6 Å²	77.6	58%	0.579	42%	0.417	S	S	*	.			trans	-115.8	128.2	175.2	176.1	-90.6	0	0	0	109.7	A98 D130	F96-A98 HydrophobicContact CE1-CB 4.29Å; F96-D130 HydrophobicContact CD2-CB 3.88Å; F96-D130 HydrophobicContact CE2-CB 4.1Å
97	Y	92.4	Very high	83.1	Confident	90 Å²	90	74.2 Å²	74.2	35%	0.353	40%	0.4	S	S	.	.			trans	-117.7	123.9	174.5	-59.5	-88.1	0	0	0	109.6	P95 K99 D130 C131 M132 Y133	P95-Y97 HydrophobicContact CB-CE2 3.69Å; P95-Y97 HydrophobicContact CG-CE2 4.09Å; Y97-K99 WeakPolarHBondContact O-CG 3.3Å; Y97-K99 PolarHBondContact O-NZ 2.76Å; Y97-D130 PolarHBondContact N-O 2.73Å; Y97-C131 WeakPolarHBondContact CD2-O 3.35Å; Y97-C131 WeakPolarHBondContact CE2-O 3.29Å; Y97-M132 WeakPolarHBondContact CB-O 3.16Å; Y97-Y133 HydrophobicContact CE2-CD1 4.33Å; Y97-Y133 HydrophobicContact CE2-CG 4.49Å
98	A	89.9	Confident	84.9	Confident	86 Å²	86	70.4 Å²	70.4	71%	0.711	38%	0.381	S	S	*	.			trans	-64.6	136.5	178.7	0	0	0	0	0	111.2	F96	F96-A98 HydrophobicContact CE1-CB 4.29Å
99	K	93.2	Very high	86.5	Confident	28 Å²	28	71.7 Å²	71.7	12%	0.122	38%	0.383	C	S	.	.			trans	-140.1	153.5	-177.9	-47.6	-175	178.1	62.6	0	110	Y97 K104 I107 V129 D130 M132 W203	Y97-K99 WeakPolarHBondContact O-CG 3.3Å; Y97-K99 PolarHBondContact O-NZ 2.76Å; K99-K104 HydrophobicContact CB-CG 3.92Å; K99-I107 HydrophobicContact CD-CD1 3.65Å; K99-V129 WeakPolarHBondContact CE-O 3.22Å; K99-V129 PolarHBondContact NZ-O 2.64Å; K99-D130 PolarHBondContact NZ-O 2.85Å; K99-M132 WeakPolarHBondContact CE-O 3.2Å; K99-M132 PolarHBondContact NZ-O 3.02Å; K99-W203 HydrophobicContact CB-CH2 4.17Å; K99-W203 HydrophobicContact CB-CZ2 4.48Å; K99-W203 HydrophobicContact CD-CD2 4.32Å; K99-W203 HydrophobicContact CD-CE3 3.93Å; K99-W203 HydrophobicContact CD-CH2 3.86Å; K99-W203 HydrophobicContact CD-CZ2 4.25Å; K99-W203 HydrophobicContact CD-CZ3 3.7Å; K99-W203 HydrophobicContact CG-CE3 4.46Å; K99-W203 HydrophobicContact CG-CH2 3.56Å; K99-W203 HydrophobicContact CG-CZ2 4.2Å; K99-W203 HydrophobicContact CG-CZ3 3.72Å
100	S	93.9	Very high	87.8	Confident	48 Å²	48	71.6 Å²	71.6	34%	0.336	38%	0.383	S	S	.	.			trans	-67.6	155.2	170.8	82.4	0	0	0	0	110.6	Q102 S103 K104	S100-Q102 PolarHBondContact O-N 3.39Å; S100-Q102 PolarHBondContact OG-N 2.94Å; S100-S103 PolarHBondContact O-N 2.91Å; S100-S103 PolarHBondContact OG-N 2.99Å; S100-S103 PolarHBondContact OG-OG 2.89Å; S100-K104 PolarHBondContact O-N 3.44Å
101	P	93.4	Very high	89.3	Confident	100 Å²	100	69.3 Å²	69.3	65%	0.649	37%	0.367	S	S	*	.	H	α-helix	trans	-54.5	-40.5	173.4	-26.2	35	0	0	0	112.5	S103 K104 D105	P101-S103 PolarHBondContact O-N 2.87Å; P101-K104 PolarHBondContact O-N 2.77Å; P101-D105 PolarHBondContact O-N 3.16Å
102	Q	93.3	Very high	90.6	Very high	158 Å²	158	64.7 Å²	64.7	74%	0.738	35%	0.348	S	S	*	.	H	α-helix	trans	-62.2	-43.3	178.2	-66.1	165.8	-8.2	0	0	112.1	S100 D105 L106	S100-Q102 PolarHBondContact O-N 3.39Å; S100-Q102 PolarHBondContact OG-N 2.94Å; Q102-D105 PolarHBondContact O-N 2.78Å; Q102-L106 WeakPolarHBondContact O-CB 3.12Å; Q102-L106 PolarHBondContact O-N 3.31Å
103	S	93.8	Very high	91.5	Very high	9 Å²	9	67.7 Å²	67.7	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-67	-39	176.9	-49.7	0	0	0	0	111.1	S100 P101 L106 I107 E157	S100-S103 PolarHBondContact O-N 2.91Å; S100-S103 PolarHBondContact OG-N 2.99Å; S100-S103 PolarHBondContact OG-OG 2.89Å; P101-S103 PolarHBondContact O-N 2.87Å; S103-L106 PolarHBondContact O-N 3.26Å; S103-I107 WeakPolarHBondContact O-CD1 3.44Å; S103-I107 WeakPolarHBondContact O-CG1 3.31Å; S103-I107 PolarHBondContact O-N 3.43Å; S103-E157 VanDerWaalsContact CB-OE1 3.31Å; S103-E157 WeakPolarHBondContact CB-OE1 3.05Å; S103-E157 PolarHBondContact OG-OE1 2.92Å
104	K	94.4	Very high	92	Very high	55 Å²	55	62.3 Å²	62.3	24%	0.239	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-47.8	175.6	-71.5	-165.5	176.5	-148.1	0	111.4	K99 S100 P101 I107 K108 V129 D130	K99-K104 HydrophobicContact CB-CG 3.92Å; S100-K104 PolarHBondContact O-N 3.44Å; P101-K104 PolarHBondContact O-N 2.77Å; K104-I107 PolarHBondContact O-N 3.49Å; K104-K108 WeakPolarHBondContact O-CB 3.33Å; K104-K108 PolarHBondContact O-N 3.1Å; K104-V129 HydrophobicContact CB-CG1 4.07Å; K104-V129 HydrophobicContact CG-CG1 4Å; K104-D130 IonicContact NZ-OD1 3.48Å; K104-D130 PolarHBondContact NZ-OD1 3.32Å
105	D	94.2	Very high	91.8	Very high	98 Å²	98	64.6 Å²	64.6	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-43.3	179	-67.2	-24	0	0	0	111	P101 Q102 I107 K108 E109	P101-D105 PolarHBondContact O-N 3.16Å; Q102-D105 PolarHBondContact O-N 2.78Å; D105-I107 PolarHBondContact O-N 2.92Å; D105-K108 PolarHBondContact O-N 3.31Å; D105-E109 WeakPolarHBondContact O-CB 3.39Å; D105-E109 VanDerWaalsContact O-CG 3.31Å; D105-E109 WeakPolarHBondContact O-CG 3.37Å; D105-E109 PolarHBondContact O-N 3.06Å
106	L	96.1	Very high	91.4	Very high	48 Å²	48	62.3 Å²	62.3	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-45.5	176.3	-177.7	151	0	0	0	112.3	Q102 S103 K108 A110 V155 E157	Q102-L106 WeakPolarHBondContact O-CB 3.12Å; Q102-L106 PolarHBondContact O-N 3.31Å; S103-L106 PolarHBondContact O-N 3.26Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-A110 VanDerWaalsContact O-CB 3.3Å; L106-A110 WeakPolarHBondContact O-CB 3.19Å; L106-A110 PolarHBondContact O-N 2.97Å; L106-V155 HydrophobicContact CD2-CG1 4.02Å; L106-E157 HydrophobicContact CD1-CG 4.46Å; L106-E157 HydrophobicContact CD2-CB 4.44Å
107	I	95.2	Very high	91.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-44.9	178.8	-64.5	161.6	0	0	0	110.2	K99 S103 K104 D105 A110 I111 V129 M132 V155 W203	K99-I107 HydrophobicContact CD-CD1 3.65Å; S103-I107 WeakPolarHBondContact O-CD1 3.44Å; S103-I107 WeakPolarHBondContact O-CG1 3.31Å; S103-I107 PolarHBondContact O-N 3.43Å; K104-I107 PolarHBondContact O-N 3.49Å; D105-I107 PolarHBondContact O-N 2.92Å; I107-A110 PolarHBondContact O-N 3.06Å; I107-I111 HydrophobicContact CG2-CD1 3.87Å; I107-I111 VanDerWaalsContact O-CG1 3.3Å; I107-I111 WeakPolarHBondContact O-CG1 3.33Å; I107-I111 PolarHBondContact O-N 2.97Å; I107-V129 HydrophobicContact CB-CG2 4.23Å; I107-V129 HydrophobicContact CG2-CB 4.4Å; I107-V129 HydrophobicContact CG2-CG2 3.72Å; I107-M132 HydrophobicContact CD1-SD 4.49Å; I107-M132 HydrophobicContact CG2-CG 4.44Å; I107-M132 HydrophobicContact CG2-SD 3.37Å; I107-M132 WeakPolarHBondContact CG2-SD 3.35Å; I107-V155 HydrophobicContact CG1-CG1 4.27Å; I107-V155 HydrophobicContact CG2-CG2 4.34Å; I107-W203 HydrophobicContact CD1-CB 4.02Å; I107-W203 HydrophobicContact CD1-CD2 3.71Å; I107-W203 HydrophobicContact CD1-CE3 4.38Å; I107-W203 HydrophobicContact CD1-CG 3.49Å; I107-W203 VanDerWaalsContact CD1-CG 3.49Å; I107-W203 HydrophobicContact CG1-CB 4.26Å; I107-W203 HydrophobicContact CG1-CG 3.93Å
108	K	94.6	Very high	90.8	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-48.8	179.2	-176.7	-179	176.9	-177	0	111.7	K104 D105 L106 A110 I111 L112 I125 V129	K104-K108 WeakPolarHBondContact O-CB 3.33Å; K104-K108 PolarHBondContact O-N 3.1Å; D105-K108 PolarHBondContact O-N 3.31Å; L106-K108 VanDerWaalsContact C-N 3.35Å; K108-A110 VanDerWaalsContact C-N 3.34Å; K108-A110 PolarHBondContact O-N 3.43Å; K108-I111 PolarHBondContact O-N 3.19Å; K108-L112 HydrophobicContact CG-CD1 4.12Å; K108-L112 WeakPolarHBondContact O-CG 3.35Å; K108-L112 PolarHBondContact O-N 3.06Å; K108-I125 HydrophobicContact CG-CG2 4.13Å; K108-V129 HydrophobicContact CB-CG2 4.3Å
109	E	94.3	Very high	90.4	Very high	124 Å²	124	55.8 Å²	55.8	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-62.4	-40.8	177.2	-70.5	-63.8	144.5	0	0	111.6	D105 I111 L112 D113	D105-E109 WeakPolarHBondContact O-CB 3.39Å; D105-E109 VanDerWaalsContact O-CG 3.31Å; D105-E109 WeakPolarHBondContact O-CG 3.37Å; D105-E109 PolarHBondContact O-N 3.06Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-I111 PolarHBondContact O-N 3.03Å; E109-L112 PolarHBondContact O-N 3.23Å; E109-D113 WeakPolarHBondContact O-CB 3.34Å; E109-D113 PolarHBondContact O-N 3.48Å
110	A	94.1	Very high	89.9	Confident	2 Å²	2	55.2 Å²	55.2	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-38.5	176.2	0	0	0	0	0	112.6	L106 I107 K108 N114 V155 G176 V178	L106-A110 VanDerWaalsContact O-CB 3.3Å; L106-A110 WeakPolarHBondContact O-CB 3.19Å; L106-A110 PolarHBondContact O-N 2.97Å; I107-A110 PolarHBondContact O-N 3.06Å; K108-A110 VanDerWaalsContact C-N 3.34Å; K108-A110 PolarHBondContact O-N 3.43Å; A110-N114 PolarHBondContact O-N 3.19Å; A110-V155 HydrophobicContact CB-CG1 3.61Å; A110-V155 HydrophobicContact CB-CG2 4.37Å; A110-G176 WeakPolarHBondContact CA-O 3.31Å; A110-G176 VanDerWaalsContact CB-O 3.28Å; A110-G176 WeakPolarHBondContact CB-O 3.29Å; A110-V178 HydrophobicContact CB-CG2 4.23Å; A110-V178 VanDerWaalsContact O-CG2 3.28Å; A110-V178 WeakPolarHBondContact O-CG2 3.36Å
111	I	91.9	Very high	89.3	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-41.6	175.8	-70.4	170.3	0	0	0	110.8	I107 K108 E109 N114 M117 K118 I125 I128 V129 V178	I107-I111 HydrophobicContact CG2-CD1 3.87Å; I107-I111 VanDerWaalsContact O-CG1 3.3Å; I107-I111 WeakPolarHBondContact O-CG1 3.33Å; I107-I111 PolarHBondContact O-N 2.97Å; K108-I111 PolarHBondContact O-N 3.19Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-I111 PolarHBondContact O-N 3.03Å; I111-N114 WeakPolarHBondContact O-CB 3.25Å; I111-N114 PolarHBondContact O-N 3.42Å; I111-M117 HydrophobicContact CD1-CE 4.41Å; I111-M117 HydrophobicContact CG1-CE 4.11Å; I111-M117 HydrophobicContact CG2-CB 3.79Å; I111-M117 HydrophobicContact CG2-CE 4.18Å; I111-M117 CarbonylContact O-C 3.51Å; I111-K118 PolarHBondContact O-N 3.36Å; I111-I125 HydrophobicContact CB-CG2 4.41Å; I111-I125 HydrophobicContact CD1-CG2 4.27Å; I111-I125 HydrophobicContact CG2-CD1 4.09Å; I111-I125 HydrophobicContact CG2-CG1 3.94Å; I111-I125 HydrophobicContact CG2-CG2 4.02Å; I111-I128 HydrophobicContact CD1-CB 4.43Å; I111-I128 HydrophobicContact CD1-CG2 3.75Å; I111-V129 HydrophobicContact CD1-CG2 4.25Å; I111-V178 HydrophobicContact CG1-CG2 4.43Å
112	L	91.1	Very high	88.8	Confident	59 Å²	59	57.5 Å²	57.5	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-71.7	-27.6	179.1	-70.4	171.9	0	0	0	113.4	K108 E109 N114 K118 I125	K108-L112 HydrophobicContact CG-CD1 4.12Å; K108-L112 WeakPolarHBondContact O-CG 3.35Å; K108-L112 PolarHBondContact O-N 3.06Å; E109-L112 PolarHBondContact O-N 3.23Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-K118 VanDerWaalsContact O-CB 3.22Å; L112-K118 WeakPolarHBondContact O-CB 3.32Å; L112-I125 HydrophobicContact CD2-CD1 3.7Å; L112-I125 HydrophobicContact CG-CD1 4.42Å
113	D	90.6	Very high	88.4	Confident	94 Å²	94	52.6 Å²	52.6	50%	0.503	27%	0.268	S	S	.	.	H	α-helix	trans	-78.3	-19	174	-173	59.7	0	0	0	112.5	E109 K177	E109-D113 WeakPolarHBondContact O-CB 3.34Å; E109-D113 PolarHBondContact O-N 3.48Å; D113-K177 IonicContact OD2-NZ 3.92Å; D113-K177 PolarHBondContact OD2-NZ 3.06Å
114	N	87.8	Confident	88.1	Confident	18 Å²	18	52.8 Å²	52.8	10%	0.096	27%	0.268	C	S	.	.	S	Bend	trans	-69.3	135.6	179.2	-178	-87.7	0	0	0	111.7	A110 I111 L112 F116 M117 K118 V178 E181	A110-N114 PolarHBondContact O-N 3.19Å; I111-N114 WeakPolarHBondContact O-CB 3.25Å; I111-N114 PolarHBondContact O-N 3.42Å; L112-N114 VanDerWaalsContact C-N 3.34Å; N114-F116 PolarHBondContact O-N 2.83Å; N114-F116 VanDerWaalsContact O-N 3.09Å; N114-F116 WeakPolarHBondContact OD1-CA 3.46Å; N114-F116 WeakPolarHBondContact OD1-CB 3.43Å; N114-F116 PolarHBondContact OD1-N 3.02Å; N114-M117 HydrophobicContact CB-CB 4.18Å; N114-M117 HydrophobicContact CB-CG 4.46Å; N114-M117 PolarHBondContact OD1-N 2.71Å; N114-K118 WeakPolarHBondContact O-CB 3.08Å; N114-K118 WeakPolarHBondContact O-CD 3.48Å; N114-K118 VanDerWaalsContact O-CG 3.31Å; N114-K118 WeakPolarHBondContact O-CG 3.44Å; N114-K118 PolarHBondContact O-N 3.29Å; N114-V178 HydrophobicContact CB-CB 4.31Å; N114-V178 HydrophobicContact CB-CG2 4.16Å; N114-E181 PolarHBondContact ND2-OE1 3.18Å
115	D	77.7	Confident	87.9	Confident	81 Å²	81	50.2 Å²	50.2	43%	0.433	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.6	-177.8	-87.9	-19.9	0	0	0	113.7	K118 K580	D115-K118 VanDerWaalsContact O-CE 3.24Å; D115-K118 WeakPolarHBondContact O-CE 3.38Å; D115-K118 IonicContact OD1-NZ 3.7Å; D115-K580 IonicContact OD2-NZ 2.95Å
116	F	76.4	Confident	87.7	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.013	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-55.9	-177.5	176.9	-101.2	0	0	0	112.6	N114 K118 N119 L185 I545 L546 M579 L586	N114-F116 PolarHBondContact O-N 2.83Å; N114-F116 VanDerWaalsContact O-N 3.09Å; N114-F116 WeakPolarHBondContact OD1-CA 3.46Å; N114-F116 WeakPolarHBondContact OD1-CB 3.43Å; N114-F116 PolarHBondContact OD1-N 3.02Å; F116-K118 PolarHBondContact O-N 3.48Å; F116-K118 VanDerWaalsContact O-N 3.11Å; F116-N119 PolarHBondContact O-N 2.84Å; F116-N119 VanDerWaalsContact O-N 3.09Å; F116-N119 PolarHBondContact O-ND2 3.32Å; F116-L185 HydrophobicContact CD1-CD1 3.39Å; F116-L185 HydrophobicContact CD1-CD2 4.4Å; F116-L185 HydrophobicContact CE1-CD1 3.28Å; F116-L185 HydrophobicContact CE1-CD2 3.49Å; F116-L185 VanDerWaalsContact CE1-CD2 3.49Å; F116-L185 HydrophobicContact CE1-CG 4.02Å; F116-L185 HydrophobicContact CG-CD1 4.09Å; F116-L185 HydrophobicContact CZ-CD1 3.89Å; F116-L185 HydrophobicContact CZ-CD2 3.92Å; F116-I545 HydrophobicContact CD2-CG2 4.43Å; F116-I545 HydrophobicContact CE2-CG2 3.7Å; F116-I545 VanDerWaalsContact CZ-O 3.29Å; F116-I545 WeakPolarHBondContact CZ-O 3.41Å; F116-L546 HydrophobicContact CE2-CD2 4.23Å; F116-M579 HydrophobicContact CB-CE 3.64Å; F116-M579 HydrophobicContact CD2-CE 3.93Å; F116-M579 HydrophobicContact CG-CE 4.08Å; F116-L586 HydrophobicContact CD2-CD1 4.01Å; F116-L586 HydrophobicContact CE2-CD1 4.14Å
117	M	84.5	Confident	87.4	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.02	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-68.9	-14	-168.4	-57	179.2	71.4	0	0	113.4	I111 N114 N119 L120 I128 V178 F210	I111-M117 HydrophobicContact CD1-CE 4.41Å; I111-M117 HydrophobicContact CG1-CE 4.11Å; I111-M117 HydrophobicContact CG2-CB 3.79Å; I111-M117 HydrophobicContact CG2-CE 4.18Å; I111-M117 CarbonylContact O-C 3.51Å; N114-M117 HydrophobicContact CB-CB 4.18Å; N114-M117 HydrophobicContact CB-CG 4.46Å; N114-M117 PolarHBondContact OD1-N 2.71Å; M117-N119 PolarHBondContact O-N 3.43Å; M117-L120 HydrophobicContact CB-CD1 4.1Å; M117-L120 HydrophobicContact CE-CD1 4.31Å; M117-L120 WeakPolarHBondContact O-CB 3.48Å; M117-L120 VanDerWaalsContact O-CG 3.23Å; M117-L120 WeakPolarHBondContact O-CG 3.29Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-I128 HydrophobicContact CE-CD1 4.33Å; M117-V178 HydrophobicContact SD-CG1 3.79Å; M117-V178 HydrophobicContact SD-CG2 4.34Å; M117-F210 HydrophobicContact CE-CE2 3.79Å
118	K	85.7	Confident	87.3	Confident	99 Å²	99	49.8 Å²	49.8	43%	0.43	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62	-18.3	170.7	72.6	-174.2	179.1	-163.5	0	114.5	I111 L112 N114 D115 F116 L120	I111-K118 PolarHBondContact O-N 3.36Å; L112-K118 VanDerWaalsContact O-CB 3.22Å; L112-K118 WeakPolarHBondContact O-CB 3.32Å; N114-K118 WeakPolarHBondContact O-CB 3.08Å; N114-K118 WeakPolarHBondContact O-CD 3.48Å; N114-K118 VanDerWaalsContact O-CG 3.31Å; N114-K118 WeakPolarHBondContact O-CG 3.44Å; N114-K118 PolarHBondContact O-N 3.29Å; D115-K118 VanDerWaalsContact O-CE 3.24Å; D115-K118 WeakPolarHBondContact O-CE 3.38Å; D115-K118 IonicContact OD1-NZ 3.7Å; F116-K118 PolarHBondContact O-N 3.48Å; F116-K118 VanDerWaalsContact O-N 3.11Å; K118-L120 VanDerWaalsContact C-N 3.29Å
119	N	81.6	Confident	87.2	Confident	68 Å²	68	46.3 Å²	46.3	36%	0.364	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-87	2.7	179.3	-55.2	-66.3	0	0	0	113	F116 M117 L546	F116-N119 PolarHBondContact O-N 2.84Å; F116-N119 VanDerWaalsContact O-N 3.09Å; F116-N119 PolarHBondContact O-ND2 3.32Å; M117-N119 PolarHBondContact O-N 3.43Å; N119-L546 HydrophobicContact CB-CD2 3.83Å
120	L	82.7	Confident	87.2	Confident	16 Å²	16	42 Å²	42	8%	0.084	22%	0.216	C	C	.	.	S	Bend	trans	-79.7	154.3	176.8	-59.6	-179.2	0	0	0	111.5	M117 K118 I125 I128 F210 M214	M117-L120 HydrophobicContact CB-CD1 4.1Å; M117-L120 HydrophobicContact CE-CD1 4.31Å; M117-L120 WeakPolarHBondContact O-CB 3.48Å; M117-L120 VanDerWaalsContact O-CG 3.23Å; M117-L120 WeakPolarHBondContact O-CG 3.29Å; M117-L120 PolarHBondContact O-N 3.18Å; K118-L120 VanDerWaalsContact C-N 3.29Å; L120-I125 HydrophobicContact CB-CD1 4.36Å; L120-I125 HydrophobicContact CB-CG1 3.96Å; L120-I128 HydrophobicContact CD1-CD1 3.74Å; L120-F210 HydrophobicContact CD1-CE2 4.36Å; L120-F210 HydrophobicContact CD1-CZ 4.31Å; L120-M214 HydrophobicContact CD1-SD 4.21Å; L120-M214 HydrophobicContact CD2-CE 3.54Å; L120-M214 HydrophobicContact CD2-SD 3.61Å; L120-M214 HydrophobicContact CG-SD 4.49Å
121	E	81.3	Confident	87.2	Confident	73 Å²	73	42.1 Å²	42.1	34%	0.341	22%	0.217	S	C	.	.			trans	-68.3	147.2	175.2	-63.1	-175.5	178.3	0	0	111.1	S123 Q124 I125	E121-S123 PolarHBondContact O-N 2.88Å; E121-Q124 HydrophobicContact CB-CG 4.15Å; E121-Q124 WeakPolarHBondContact O-CB 3.4Å; E121-Q124 PolarHBondContact O-N 3.22Å; E121-I125 WeakPolarHBondContact O-CG1 3.19Å; E121-I125 PolarHBondContact O-N 3.39Å
122	L	84.5	Confident	87.3	Confident	123 Å²	123	42.1 Å²	42.1	64%	0.644	22%	0.217	S	C	*	.	H	α-helix	trans	-58.8	-33.8	-178.7	-71.3	173.4	0	0	0	113	I125 Q126	L122-I125 PolarHBondContact O-N 2.61Å; L122-Q126 WeakPolarHBondContact O-CB 3.31Å; L122-Q126 PolarHBondContact O-N 2.63Å
123	S	83.6	Confident	87.5	Confident	55 Å²	55	42.1 Å²	42.1	39%	0.385	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-45.5	173.5	48.3	0	0	0	0	111.8	E121 Q126 E127	E121-S123 PolarHBondContact O-N 2.88Å; S123-Q126 WeakPolarHBondContact O-CB 3.37Å; S123-Q126 PolarHBondContact O-N 3.26Å; S123-E127 PolarHBondContact O-N 3Å
124	Q	87.5	Confident	87.8	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-43.2	176.7	-65	173	-36.7	0	0	111.2	E121 Q126 E127 I128 I213 T217	E121-Q124 HydrophobicContact CB-CG 4.15Å; E121-Q124 WeakPolarHBondContact O-CB 3.4Å; E121-Q124 PolarHBondContact O-N 3.22Å; Q124-Q126 VanDerWaalsContact C-N 3.27Å; Q124-Q126 PolarHBondContact O-N 3Å; Q124-E127 PolarHBondContact O-N 3.38Å; Q124-I128 WeakPolarHBondContact O-CD1 3.18Å; Q124-I128 VanDerWaalsContact O-CG1 3.25Å; Q124-I128 WeakPolarHBondContact O-CG1 3.33Å; Q124-I128 PolarHBondContact O-N 2.81Å; Q124-I213 HydrophobicContact CB-CG2 4.2Å; Q124-I213 HydrophobicContact CG-CG2 4.47Å; Q124-T217 HydrophobicContact CG-CG2 4.3Å
125	I	90.7	Very high	88.2	Confident	2 Å²	2	42 Å²	42	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-42.5	175.7	-63.7	175.2	0	0	0	110.1	K108 I111 L112 L120 E121 L122 I128 V129	K108-I125 HydrophobicContact CG-CG2 4.13Å; I111-I125 HydrophobicContact CB-CG2 4.41Å; I111-I125 HydrophobicContact CD1-CG2 4.27Å; I111-I125 HydrophobicContact CG2-CD1 4.09Å; I111-I125 HydrophobicContact CG2-CG1 3.94Å; I111-I125 HydrophobicContact CG2-CG2 4.02Å; L112-I125 HydrophobicContact CD2-CD1 3.7Å; L112-I125 HydrophobicContact CG-CD1 4.42Å; L120-I125 HydrophobicContact CB-CD1 4.36Å; L120-I125 HydrophobicContact CB-CG1 3.96Å; E121-I125 WeakPolarHBondContact O-CG1 3.19Å; E121-I125 PolarHBondContact O-N 3.39Å; L122-I125 PolarHBondContact O-N 2.61Å; I125-I128 PolarHBondContact O-N 3.44Å; I125-V129 HydrophobicContact CG2-CG2 4.34Å; I125-V129 WeakPolarHBondContact O-CG2 3.42Å; I125-V129 PolarHBondContact O-N 2.98Å
126	Q	90	Very high	89.1	Confident	79 Å²	79	44.5 Å²	44.5	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-45.6	177.7	-174.2	55.9	51.8	0	0	112	L122 S123 Q124 I128 V129 D130	L122-Q126 WeakPolarHBondContact O-CB 3.31Å; L122-Q126 PolarHBondContact O-N 2.63Å; S123-Q126 WeakPolarHBondContact O-CB 3.37Å; S123-Q126 PolarHBondContact O-N 3.26Å; Q124-Q126 VanDerWaalsContact C-N 3.27Å; Q124-Q126 PolarHBondContact O-N 3Å; Q126-I128 PolarHBondContact O-N 3.12Å; Q126-V129 PolarHBondContact O-N 2.97Å; Q126-D130 PolarHBondContact NE2-OD1 3.06Å; Q126-D130 PolarHBondContact NE2-OD2 2.97Å; Q126-D130 PolarHBondContact O-N 2.94Å
127	E	90.2	Very high	90	Very high	57 Å²	57	47.4 Å²	47.4	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-41.6	175.4	-72.7	-176	-154.4	0	0	112.1	L94 S123 Q124 D130 C131 I213	L94-E127 VanDerWaalsContact CD1-OE2 3.26Å; L94-E127 WeakPolarHBondContact CD1-OE2 3.24Å; S123-E127 PolarHBondContact O-N 3Å; Q124-E127 PolarHBondContact O-N 3.38Å; E127-D130 PolarHBondContact O-N 3.28Å; E127-C131 WeakPolarHBondContact O-CB 3.41Å; E127-C131 PolarHBondContact O-N 3.47Å; E127-C131 PolarHBondContact O-SG 3.2Å; E127-I213 HydrophobicContact CB-CD1 4.23Å; E127-I213 HydrophobicContact CB-CG1 4.13Å; E127-I213 HydrophobicContact CB-CG2 3.78Å
128	I	92.1	Very high	90.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-51	174.9	-69.3	160.8	0	0	0	109.7	I111 M117 L120 Q124 I125 Q126 D130 C131 M132 I205 F210 I213	I111-I128 HydrophobicContact CD1-CB 4.43Å; I111-I128 HydrophobicContact CD1-CG2 3.75Å; M117-I128 HydrophobicContact CE-CD1 4.33Å; L120-I128 HydrophobicContact CD1-CD1 3.74Å; Q124-I128 WeakPolarHBondContact O-CD1 3.18Å; Q124-I128 VanDerWaalsContact O-CG1 3.25Å; Q124-I128 WeakPolarHBondContact O-CG1 3.33Å; Q124-I128 PolarHBondContact O-N 2.81Å; I125-I128 PolarHBondContact O-N 3.44Å; Q126-I128 PolarHBondContact O-N 3.12Å; I128-D130 VanDerWaalsContact C-N 3.26Å; I128-D130 PolarHBondContact O-N 3.1Å; I128-C131 PolarHBondContact O-N 2.66Å; I128-C131 VanDerWaalsContact O-N 3.1Å; I128-M132 HydrophobicContact CG2-CG 4.22Å; I128-M132 HydrophobicContact CG2-SD 4.49Å; I128-M132 WeakPolarHBondContact O-CG 3.24Å; I128-M132 PolarHBondContact O-N 3.46Å; I128-I205 HydrophobicContact CB-CD1 4.47Å; I128-I205 HydrophobicContact CG1-CD1 4.39Å; I128-I205 HydrophobicContact CG2-CD1 4.1Å; I128-F210 HydrophobicContact CD1-CD2 4.06Å; I128-F210 HydrophobicContact CD1-CE2 3.63Å; I128-F210 HydrophobicContact CG1-CD2 4.22Å; I128-F210 HydrophobicContact CG1-CE2 4.29Å; I128-I213 HydrophobicContact CG1-CD1 3.92Å; I128-I213 HydrophobicContact CG1-CG2 4.21Å
129	V	93.9	Very high	91	Very high	2 Å²	2	50 Å²	50	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-55.4	-43.3	178.2	170.5	0	0	0	0	110.5	K99 K104 I107 K108 I111 I125 Q126	K99-V129 WeakPolarHBondContact CE-O 3.22Å; K99-V129 PolarHBondContact NZ-O 2.64Å; K104-V129 HydrophobicContact CB-CG1 4.07Å; K104-V129 HydrophobicContact CG-CG1 4Å; I107-V129 HydrophobicContact CB-CG2 4.23Å; I107-V129 HydrophobicContact CG2-CB 4.4Å; I107-V129 HydrophobicContact CG2-CG2 3.72Å; K108-V129 HydrophobicContact CB-CG2 4.3Å; I111-V129 HydrophobicContact CD1-CG2 4.25Å; I125-V129 HydrophobicContact CG2-CG2 4.34Å; I125-V129 WeakPolarHBondContact O-CG2 3.42Å; I125-V129 PolarHBondContact O-N 2.98Å; Q126-V129 PolarHBondContact O-N 2.97Å
130	D	93.2	Very high	91.6	Very high	32 Å²	32	52.4 Å²	52.4	17%	0.171	27%	0.272	C	S	.	.	H	α-helix	trans	-70.5	-31.9	-179.5	-72.8	-33.1	0	0	0	112.6	F96 Y97 K99 K104 Q126 E127 I128	F96-D130 HydrophobicContact CD2-CB 3.88Å; F96-D130 HydrophobicContact CE2-CB 4.1Å; Y97-D130 PolarHBondContact N-O 2.73Å; K99-D130 PolarHBondContact NZ-O 2.85Å; K104-D130 IonicContact NZ-OD1 3.48Å; K104-D130 PolarHBondContact NZ-OD1 3.32Å; Q126-D130 PolarHBondContact NE2-OD1 3.06Å; Q126-D130 PolarHBondContact NE2-OD2 2.97Å; Q126-D130 PolarHBondContact O-N 2.94Å; E127-D130 PolarHBondContact O-N 3.28Å; I128-D130 VanDerWaalsContact C-N 3.26Å; I128-D130 PolarHBondContact O-N 3.1Å
131	C	93.9	Very high	92.2	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-83.1	-18.8	179.2	-65.1	0	0	0	0	115.3	P95 Y97 E127 I128 Y133 I205 C209 I213	P95-C131 WeakPolarHBondContact O-CA 3.07Å; P95-C131 PolarHBondContact O-SG 3.39Å; Y97-C131 WeakPolarHBondContact CD2-O 3.35Å; Y97-C131 WeakPolarHBondContact CE2-O 3.29Å; E127-C131 WeakPolarHBondContact O-CB 3.41Å; E127-C131 PolarHBondContact O-N 3.47Å; E127-C131 PolarHBondContact O-SG 3.2Å; I128-C131 PolarHBondContact O-N 2.66Å; I128-C131 VanDerWaalsContact O-N 3.1Å; C131-Y133 PolarHBondContact O-N 3.49Å; C131-I205 HydrophobicContact CB-CD1 4.04Å; C131-C209 VanDerWaalsContact CB-SG 3.54Å; C131-I213 HydrophobicContact CB-CD1 4.16Å
132	M	95.1	Very high	92.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.284	C	S	.	.			trans	-65.9	136.7	-179.6	-51.7	-163.2	82.9	0	0	111.2	Y97 K99 I107 I128 V155 W203 A204 I205	Y97-M132 WeakPolarHBondContact CB-O 3.16Å; K99-M132 WeakPolarHBondContact CE-O 3.2Å; K99-M132 PolarHBondContact NZ-O 3.02Å; I107-M132 HydrophobicContact CD1-SD 4.49Å; I107-M132 HydrophobicContact CG2-CG 4.44Å; I107-M132 HydrophobicContact CG2-SD 3.37Å; I107-M132 WeakPolarHBondContact CG2-SD 3.35Å; I128-M132 HydrophobicContact CG2-CG 4.22Å; I128-M132 HydrophobicContact CG2-SD 4.49Å; I128-M132 WeakPolarHBondContact O-CG 3.24Å; I128-M132 PolarHBondContact O-N 3.46Å; M132-V155 HydrophobicContact CE-CB 4.19Å; M132-V155 HydrophobicContact CE-CG2 3.87Å; M132-V155 HydrophobicContact SD-CB 4.35Å; M132-V155 HydrophobicContact SD-CG2 4Å; M132-W203 HydrophobicContact CB-CB 3.9Å; M132-W203 HydrophobicContact CB-CE3 4.32Å; M132-W203 VanDerWaalsContact CE-C 3.5Å; M132-W203 HydrophobicContact CE-CB 4Å; M132-W203 WeakPolarHBondContact CE-O 3.4Å; M132-W203 HydrophobicContact SD-CB 3.88Å; M132-A204 CarbonylContact C-O 3.52Å; M132-A204 WeakPolarHBondContact CA-O 3.42Å; M132-I205 HydrophobicContact CE-CB 4.33Å; M132-I205 HydrophobicContact CE-CG2 4.03Å; M132-I205 HydrophobicContact CG-CB 4.26Å
133	Y	95.5	Very high	93.2	Very high	60 Å²	60	47.9 Å²	47.9	24%	0.235	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.5	177.8	61.8	-90.5	0	0	0	111.5	Y97 C131 V135 L152 W203 A204	Y97-Y133 HydrophobicContact CE2-CD1 4.33Å; Y97-Y133 HydrophobicContact CE2-CG 4.49Å; C131-Y133 PolarHBondContact O-N 3.49Å; Y133-V135 HydrophobicContact CD2-CG2 3.73Å; Y133-V135 HydrophobicContact CE2-CG2 3.44Å; Y133-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y133-L152 VanDerWaalsContact OH-CD2 3.26Å; Y133-L152 WeakPolarHBondContact OH-CD2 3.27Å; Y133-W203 CarbonylContact O-C 3.54Å; Y133-W203 WeakPolarHBondContact O-CA 3.47Å; Y133-A204 WeakPolarHBondContact CD1-O 3.12Å; Y133-A204 HydrophobicContact CD2-CB 4.37Å; Y133-A204 HydrophobicContact CE1-CB 4.13Å; Y133-A204 WeakPolarHBondContact CE1-O 3.45Å; Y133-A204 HydrophobicContact CE2-CB 3.89Å; Y133-A204 PolarHBondContact N-O 3.19Å; Y133-A204 PolarHBondContact O-N 3.24Å
134	P	96.3	Very high	93.6	Very high	81 Å²	81	45.7 Å²	45.7	53%	0.526	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	140.6	-176.3	31	-33.3	0	0	0	111.4	L202 W203	P134-L202 CarbonylContact C-O 3.55Å; P134-L202 WeakPolarHBondContact CA-O 3.24Å; P134-W203 HydrophobicContact CB-CE3 4.27Å; P134-W203 HydrophobicContact CB-CH2 4.17Å; P134-W203 HydrophobicContact CB-CZ3 3.94Å; P134-W203 HydrophobicContact CG-CZ3 4.18Å
135	V	95.4	Very high	93.7	Very high	27 Å²	27	50.8 Å²	50.8	16%	0.164	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.5	175.5	-174.5	0	0	0	0	108.9	Y133 Y137 L202 A204	Y133-V135 HydrophobicContact CD2-CG2 3.73Å; Y133-V135 HydrophobicContact CE2-CG2 3.44Å; Y133-V135 VanDerWaalsContact CE2-CG2 3.44Å; V135-Y137 HydrophobicContact CG1-CD2 4.02Å; V135-Y137 HydrophobicContact CG1-CE2 3.39Å; V135-L202 HydrophobicContact CB-CB 4.41Å; V135-L202 PolarHBondContact N-O 2.97Å; V135-L202 WeakPolarHBondContact O-CA 3.15Å; V135-L202 PolarHBondContact O-N 3.2Å; V135-A204 HydrophobicContact CG2-CB 3.57Å
136	E	96.1	Very high	93.6	Very high	135 Å²	135	53.6 Å²	53.6	63%	0.631	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	141	178.2	-60	-168.6	164.2	0	0	110.6	V200 K201	E136-V200 WeakPolarHBondContact CA-O 3.42Å; E136-K201 HydrophobicContact CG-CG 4.23Å; E136-K201 VanDerWaalsContact OE1-CE 3.31Å; E136-K201 WeakPolarHBondContact OE1-CE 3.46Å; E136-K201 IonicContact OE1-NZ 3.94Å
137	Y	96.3	Very high	93.1	Very high	63 Å²	63	52 Å²	52	25%	0.247	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.7	172.3	-68.4	-90	0	0	0	110	V135 I143 N199 V200 L202	V135-Y137 HydrophobicContact CG1-CD2 4.02Å; V135-Y137 HydrophobicContact CG1-CE2 3.39Å; Y137-I143 HydrophobicContact CD1-CG1 4.26Å; Y137-I143 HydrophobicContact CD2-CD1 4.29Å; Y137-I143 HydrophobicContact CD2-CG1 3.81Å; Y137-I143 HydrophobicContact CD2-CG2 4.43Å; Y137-I143 HydrophobicContact CE1-CG1 4.48Å; Y137-I143 HydrophobicContact CE2-CB 4.48Å; Y137-I143 HydrophobicContact CE2-CG1 4.04Å; Y137-I143 HydrophobicContact CE2-CG2 3.85Å; Y137-I143 HydrophobicContact CG-CG1 3.92Å; Y137-N199 WeakPolarHBondContact O-CA 3.41Å; Y137-V200 HydrophobicContact CD2-CG2 4.41Å; Y137-V200 PolarHBondContact N-O 3.33Å; Y137-V200 VanDerWaalsContact N-O 3.1Å; Y137-V200 PolarHBondContact O-N 3.2Å; Y137-L202 HydrophobicContact CD2-CD1 3.67Å; Y137-L202 HydrophobicContact CE2-CD1 3.8Å
138	G	96.4	Very high	92.7	Very high	34 Å²	34	53.1 Å²	53.1	35%	0.351	29%	0.289	S	S	.	.			trans	-70.9	163.9	172.2	0	0	0	0	0	111.6	S141 T196 N199	G138-S141 VanDerWaalsContact O-CB 3.24Å; G138-S141 WeakPolarHBondContact O-CB 3.45Å; G138-S141 PolarHBondContact O-N 3.16Å; G138-S141 PolarHBondContact O-OG 3.19Å; G138-T196 PolarHBondContact O-OG1 2.99Å; G138-N199 WeakPolarHBondContact CA-OD1 3.43Å
139	K	95.2	Very high	91.9	Very high	124 Å²	124	58.2 Å²	58.2	54%	0.539	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	145.5	171.2	-172.2	-174.1	171.1	-169.5	0	112	S141 L197 N199	K139-S141 PolarHBondContact O-N 3.32Å; K139-L197 WeakPolarHBondContact CG-O 3.42Å; K139-N199 PolarHBondContact N-OD1 2.97Å
140	D	93.6	Very high	91	Very high	118 Å²	118	58.2 Å²	58.2	63%	0.631	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	12.5	177.6	-53.3	-48.3	0	0	0	114.8	T196	D140-T196 WeakPolarHBondContact CA-O 3.46Å; D140-T196 PolarHBondContact N-O 3.49Å; D140-T196 PolarHBondContact N-OG1 3.39Å
141	S	95.2	Very high	90.3	Very high	37 Å²	37	59.7 Å²	59.7	26%	0.259	33%	0.333	S	S	.	.			trans	-79.1	145.1	175.3	-60.3	0	0	0	0	111.6	G138 K139 K195 T196	G138-S141 VanDerWaalsContact O-CB 3.24Å; G138-S141 WeakPolarHBondContact O-CB 3.45Å; G138-S141 PolarHBondContact O-N 3.16Å; G138-S141 PolarHBondContact O-OG 3.19Å; K139-S141 PolarHBondContact O-N 3.32Å; S141-K195 CarbonylContact O-C 3.47Å; S141-K195 VanDerWaalsContact O-CA 3.3Å; S141-K195 WeakPolarHBondContact O-CA 3.48Å; S141-T196 PolarHBondContact N-OG1 2.92Å; S141-T196 PolarHBondContact O-N 2.75Å; S141-T196 PolarHBondContact O-OG1 2.93Å
142	C	93.8	Very high	90.1	Very high	64 Å²	64	60.9 Å²	60.9	43%	0.432	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.9	173.6	-166.4	0	0	0	0	109.6	I144 K195	C142-I144 PolarHBondContact SG-O 2.97Å; C142-K195 HydrophobicContact CB-CG 4.35Å
143	I	93.1	Very high	89.8	Confident	17 Å²	17	61 Å²	61	9%	0.087	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-42.4	-179.9	-56.1	162.2	0	0	0	110.2	Y137 Y154 V161 F179 V194 T196 V200 L202	Y137-I143 HydrophobicContact CD1-CG1 4.26Å; Y137-I143 HydrophobicContact CD2-CD1 4.29Å; Y137-I143 HydrophobicContact CD2-CG1 3.81Å; Y137-I143 HydrophobicContact CD2-CG2 4.43Å; Y137-I143 HydrophobicContact CE1-CG1 4.48Å; Y137-I143 HydrophobicContact CE2-CB 4.48Å; Y137-I143 HydrophobicContact CE2-CG1 4.04Å; Y137-I143 HydrophobicContact CE2-CG2 3.85Å; Y137-I143 HydrophobicContact CG-CG1 3.92Å; I143-Y154 HydrophobicContact CG2-CD2 4.18Å; I143-Y154 HydrophobicContact CG2-CE1 4.38Å; I143-Y154 HydrophobicContact CG2-CE2 3.71Å; I143-V161 HydrophobicContact CD1-CG1 3.85Å; I143-F179 HydrophobicContact CD1-CE2 4.37Å; I143-F179 HydrophobicContact CD1-CZ 4.15Å; I143-F179 HydrophobicContact CG2-CE2 4.08Å; I143-V194 HydrophobicContact CD1-CG1 4.42Å; I143-V194 PolarHBondContact N-O 3.17Å; I143-T196 HydrophobicContact CD1-CG2 3.49Å; I143-T196 VanDerWaalsContact CD1-CG2 3.49Å; I143-T196 HydrophobicContact CG1-CG2 3.85Å; I143-V200 HydrophobicContact CD1-CG2 4.25Å; I143-L202 HydrophobicContact CD1-CD1 3.93Å; I143-L202 HydrophobicContact CG2-CD1 4.32Å
144	I	92.1	Very high	89.7	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.046	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.6	179.7	-66.2	179.1	0	0	0	107.2	C142 Y154 F179 R190 A192 T193 V194	C142-I144 PolarHBondContact SG-O 2.97Å; I144-Y154 HydrophobicContact CD1-CD2 4.38Å; I144-Y154 HydrophobicContact CD1-CE2 4.32Å; I144-Y154 HydrophobicContact CG1-CE2 4.28Å; I144-F179 HydrophobicContact CD1-CD2 3.81Å; I144-F179 HydrophobicContact CD1-CE2 4.22Å; I144-R190 HydrophobicContact CG2-CB 3.57Å; I144-R190 HydrophobicContact CG2-CG 3.5Å; I144-A192 VanDerWaalsContact CG2-O 3.24Å; I144-A192 WeakPolarHBondContact CG2-O 3.31Å; I144-T193 CarbonylContact O-C 3.49Å; I144-T193 VanDerWaalsContact O-CA 3.29Å; I144-T193 WeakPolarHBondContact O-CA 3.4Å; I144-T193 WeakPolarHBondContact O-CG2 3.15Å; I144-V194 HydrophobicContact CB-CB 3.98Å; I144-V194 HydrophobicContact CB-CG2 4Å; I144-V194 HydrophobicContact CD1-CG2 4.16Å; I144-V194 HydrophobicContact CG1-CG2 4.48Å; I144-V194 PolarHBondContact N-O 2.6Å; I144-V194 PolarHBondContact O-N 2.95Å
145	K	90	Very high	89.7	Confident	118 Å²	118	54.8 Å²	54.8	51%	0.513	31%	0.306	S	S	.	.			trans	-117.3	134.5	171.8	-174.7	-176.1	177.2	-169.3	0	109.5	D148 R190	K145-D148 WeakPolarHBondContact CB-OD2 3.24Å; K145-D148 WeakPolarHBondContact O-CB 3.28Å; K145-D148 PolarHBondContact O-N 2.88Å; K145-R190 WeakPolarHBondContact O-CB 3.44Å
146	E	87.6	Confident	89.7	Confident	62 Å²	62	53.5 Å²	53.5	29%	0.29	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	136.1	176.4	-175	177.6	176.7	0	0	110.9	D148 K165 E166 R190 T193	E146-D148 VanDerWaalsContact C-N 3.3Å; E146-D148 PolarHBondContact O-N 3.39Å; E146-K165 WeakPolarHBondContact OE2-CA 3.49Å; E146-E166 PolarHBondContact OE2-N 3.39Å; E146-R190 WeakPolarHBondContact CA-O 3.4Å; E146-T193 WeakPolarHBondContact CB-OG1 3.39Å; E146-T193 PolarHBondContact N-OG1 3.22Å
147	G	80.2	Confident	89.7	Confident	44 Å²	44	49.6 Å²	49.6	45%	0.454	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-17.1	-177.8	0	0	0	0	0	115	T189 R190	G147-T189 WeakPolarHBondContact O-CB 3.36Å; G147-T189 WeakPolarHBondContact O-CG2 3.33Å; G147-R190 PolarHBondContact N-O 2.71Å
148	D	82.3	Confident	89.7	Confident	82 Å²	82	50.9 Å²	50.9	44%	0.439	29%	0.291	S	S	.	.	S	Bend	trans	-71.8	153.6	179.2	-72.7	1.6	0	0	0	111.4	K145 E146 G150 T189 R190	K145-D148 WeakPolarHBondContact CB-OD2 3.24Å; K145-D148 WeakPolarHBondContact O-CB 3.28Å; K145-D148 PolarHBondContact O-N 2.88Å; E146-D148 VanDerWaalsContact C-N 3.3Å; E146-D148 PolarHBondContact O-N 3.39Å; D148-G150 PolarHBondContact O-N 3.14Å; D148-T189 CarbonylContact O-C 3.47Å; D148-T189 VanDerWaalsContact O-CA 3.31Å; D148-T189 WeakPolarHBondContact O-CA 3.46Å; D148-R190 HydrophobicContact CB-CG 4.41Å; D148-R190 VanDerWaalsContact O-CG 3.24Å; D148-R190 WeakPolarHBondContact O-CG 3.19Å; D148-R190 PolarHBondContact O-N 3.38Å
149	V	74.6	Confident	89.6	Confident	108 Å²	108	49.9 Å²	49.9	66%	0.655	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-73.1	122.9	169.7	-178.2	0	0	0	0	108.7
150	G	74.9	Confident	89.7	Confident	1 Å²	1	49 Å²	49	1%	0.01	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-101	130.1	-179.5	0	0	0	0	0	113.5	D148 A183 R207	D148-G150 PolarHBondContact O-N 3.14Å; G150-A183 VanDerWaalsContact CA-CB 3.49Å; G150-A183 CarbonylContact O-C 3.5Å; G150-A183 WeakPolarHBondContact O-CB 3.49Å; G150-A183 VanDerWaalsContact O-O 3.09Å; G150-R207 PolarHBondContact O-NH2 2.68Å
151	S	79.8	Confident	89.8	Confident	63 Å²	63	43.3 Å²	43.3	44%	0.441	25%	0.246	S	C	.	.			trans	-122.6	7.3	179.2	58.8	0	0	0	0	114.3	I184 D206 R207	S151-I184 WeakPolarHBondContact O-CD1 3.43Å; S151-D206 CarbonylContact O-C 3.55Å; S151-D206 WeakPolarHBondContact O-CA 3.5Å; S151-R207 PolarHBondContact O-N 3.28Å
152	L	88	Confident	89.9	Confident	31 Å²	31	43.9 Å²	43.9	16%	0.162	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.4	-174.7	-61.7	175.8	0	0	0	111.6	Y133 Y154 I184 R190 I205 D206	Y133-L152 VanDerWaalsContact OH-CD2 3.26Å; Y133-L152 WeakPolarHBondContact OH-CD2 3.27Å; L152-Y154 HydrophobicContact CB-CE1 4.26Å; L152-Y154 HydrophobicContact CB-CE2 3.91Å; L152-Y154 HydrophobicContact CD1-CE1 4.26Å; L152-Y154 WeakPolarHBondContact CD1-OH 3.31Å; L152-I184 VanDerWaalsContact C-CD1 3.42Å; L152-R190 PolarHBondContact O-NH1 3.34Å; L152-R190 PolarHBondContact O-NH2 2.93Å; L152-I205 WeakPolarHBondContact CA-O 3.28Å; L152-D206 HydrophobicContact CD2-CB 3.71Å
153	V	90.6	Very high	89.8	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.8	165.4	179.3	0	0	0	0	106.7	V178 E181 I184 A204 I205	V153-V178 HydrophobicContact CG1-CG1 3.68Å; V153-E181 HydrophobicContact CG1-CB 4.36Å; V153-E181 HydrophobicContact CG2-CB 4.21Å; V153-I184 HydrophobicContact CB-CD1 4.18Å; V153-I184 HydrophobicContact CG2-CB 3.99Å; V153-I184 HydrophobicContact CG2-CD1 3.44Å; V153-I184 VanDerWaalsContact CG2-CD1 3.44Å; V153-I184 HydrophobicContact CG2-CG1 4.08Å; V153-I184 HydrophobicContact CG2-CG2 4.36Å; V153-I184 VanDerWaalsContact N-CD1 3.28Å; V153-A204 VanDerWaalsContact O-CA 3.26Å; V153-A204 WeakPolarHBondContact O-CA 3.42Å; V153-I205 HydrophobicContact CB-CG2 3.92Å; V153-I205 HydrophobicContact CG2-CG2 4.47Å; V153-I205 PolarHBondContact N-O 2.91Å; V153-I205 PolarHBondContact O-N 3.02Å
154	Y	93.2	Very high	89.8	Confident	8 Å²	8	41.7 Å²	41.7	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.1	177.5	-56.8	-81.8	0	0	0	111.4	I143 I144 L152 V178 F179 L202 W203 A204	I143-Y154 HydrophobicContact CG2-CD2 4.18Å; I143-Y154 HydrophobicContact CG2-CE1 4.38Å; I143-Y154 HydrophobicContact CG2-CE2 3.71Å; I144-Y154 HydrophobicContact CD1-CD2 4.38Å; I144-Y154 HydrophobicContact CD1-CE2 4.32Å; I144-Y154 HydrophobicContact CG1-CE2 4.28Å; L152-Y154 HydrophobicContact CB-CE1 4.26Å; L152-Y154 HydrophobicContact CB-CE2 3.91Å; L152-Y154 HydrophobicContact CD1-CE1 4.26Å; L152-Y154 WeakPolarHBondContact CD1-OH 3.31Å; Y154-V178 CarbonylContact O-C 3.43Å; Y154-V178 VanDerWaalsContact O-CA 3.31Å; Y154-V178 WeakPolarHBondContact O-CA 3.44Å; Y154-F179 VanDerWaalsContact CB-CZ 3.47Å; Y154-F179 AromaticContact CD2-CD2 3.97Å; Y154-F179 HydrophobicContact CD2-CD2 3.97Å; Y154-F179 AromaticContact CD2-CE2 3.52Å; Y154-F179 HydrophobicContact CD2-CE2 3.52Å; Y154-F179 HydrophobicContact CD2-CZ 4.16Å; Y154-F179 HydrophobicContact CE2-CE2 4.39Å; Y154-F179 HydrophobicContact CG-CD2 4.46Å; Y154-F179 AromaticContact CG-CE2 3.82Å; Y154-F179 HydrophobicContact CG-CE2 3.82Å; Y154-F179 AromaticContact CG-CZ 3.97Å; Y154-F179 HydrophobicContact CG-CZ 3.97Å; Y154-F179 PolarHBondContact N-O 3.49Å; Y154-F179 PolarHBondContact O-N 3.45Å; Y154-L202 HydrophobicContact CD1-CB 4.22Å; Y154-L202 HydrophobicContact CD1-CD1 3.83Å; Y154-L202 HydrophobicContact CE1-CD1 4.36Å; Y154-L202 HydrophobicContact CG-CD1 4.2Å; Y154-W203 CarbonylContact C-O 3.58Å; Y154-W203 VanDerWaalsContact CA-O 3.24Å; Y154-W203 WeakPolarHBondContact CA-O 3.37Å; Y154-A204 HydrophobicContact CD1-CB 3.72Å; Y154-A204 HydrophobicContact CE1-CB 3.76Å
155	V	95.4	Very high	89.5	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.7	162.1	172.8	0	0	0	0	108.2	L106 I107 A110 M132 V178 L202 W203	L106-V155 HydrophobicContact CD2-CG1 4.02Å; I107-V155 HydrophobicContact CG1-CG1 4.27Å; I107-V155 HydrophobicContact CG2-CG2 4.34Å; A110-V155 HydrophobicContact CB-CG1 3.61Å; A110-V155 HydrophobicContact CB-CG2 4.37Å; M132-V155 HydrophobicContact CE-CB 4.19Å; M132-V155 HydrophobicContact CE-CG2 3.87Å; M132-V155 HydrophobicContact SD-CB 4.35Å; M132-V155 HydrophobicContact SD-CG2 4Å; V155-V178 HydrophobicContact CG2-CG2 3.78Å; V155-L202 CarbonylContact O-C 3.59Å; V155-L202 VanDerWaalsContact O-CA 3.29Å; V155-L202 WeakPolarHBondContact O-CA 3.22Å; V155-W203 HydrophobicContact CB-CB 4.38Å; V155-W203 PolarHBondContact N-O 3.26Å; V155-W203 PolarHBondContact O-N 2.88Å
156	M	95.8	Very high	89.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.6	179	-169.6	177.7	-54.8	0	0	111.6	V161 P175 G176 K177 F179 L202	M156-V161 HydrophobicContact CE-CB 3.97Å; M156-V161 HydrophobicContact CE-CG1 3.44Å; M156-V161 VanDerWaalsContact CE-CG1 3.44Å; M156-V161 HydrophobicContact CE-CG2 3.48Å; M156-V161 VanDerWaalsContact CE-CG2 3.48Å; M156-P175 CarbonylContact O-C 3.48Å; M156-P175 WeakPolarHBondContact O-CA 3.28Å; M156-G176 PolarHBondContact O-N 3.31Å; M156-K177 PolarHBondContact N-O 3.42Å; M156-F179 HydrophobicContact CB-CE1 4.37Å; M156-F179 HydrophobicContact CE-CE1 3.96Å; M156-L202 HydrophobicContact CB-CD2 3.95Å; M156-L202 HydrophobicContact CE-CD2 4.48Å; M156-L202 HydrophobicContact CG-CD2 3.94Å
157	E	95.8	Very high	89.1	Confident	53 Å²	53	49.6 Å²	49.6	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-40.6	172.8	-179.1	171	-143.8	0	0	111.7	S103 L106 P175 K201 W203	S103-E157 VanDerWaalsContact CB-OE1 3.31Å; S103-E157 WeakPolarHBondContact CB-OE1 3.05Å; S103-E157 PolarHBondContact OG-OE1 2.92Å; L106-E157 HydrophobicContact CD1-CG 4.46Å; L106-E157 HydrophobicContact CD2-CB 4.44Å; E157-P175 WeakPolarHBondContact O-CB 3.33Å; E157-K201 HydrophobicContact CB-CB 4.41Å; E157-K201 PolarHBondContact N-O 3.15Å; E157-W203 VanDerWaalsContact CD-NE1 3.31Å; E157-W203 PolarHBondContact OE2-NE1 3.42Å
158	D	95.9	Very high	89.5	Confident	90 Å²	90	53.3 Å²	53.3	48%	0.481	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.3	-179.6	-174.2	45.4	0	0	0	111.8	V200 K201	D158-V200 VanDerWaalsContact O-CA 3.26Å; D158-V200 WeakPolarHBondContact O-CA 3.47Å; D158-K201 HydrophobicContact CB-CB 4.18Å; D158-K201 HydrophobicContact CB-CG 4.44Å; D158-K201 PolarHBondContact N-O 2.69Å; D158-K201 PolarHBondContact O-N 3.19Å
159	G	95.4	Very high	89.9	Confident	12 Å²	12	54.9 Å²	54.9	12%	0.124	29%	0.292	C	S	.	.	S	Bend	trans	96.5	-161.9	178	0	0	0	0	0	115	P175 T198 N199	G159-P175 WeakPolarHBondContact O-CD 3.05Å; G159-T198 WeakPolarHBondContact CA-OG1 3.23Å; G159-N199 WeakPolarHBondContact CA-O 3.24Å
160	K	96.4	Very high	90.4	Very high	105 Å²	105	54.7 Å²	54.7	46%	0.457	29%	0.287	S	S	.	.			trans	-148.6	138.7	-172.9	-164.5	170.1	176.5	167.8	0	111.5	T172 M173 L197 T198	K160-T172 HydrophobicContact CD-CG2 4.02Å; K160-T172 HydrophobicContact CG-CG2 3.68Å; K160-M173 WeakPolarHBondContact CA-O 3.3Å; K160-L197 HydrophobicContact CB-CB 4.41Å; K160-L197 HydrophobicContact CD-CD1 4.44Å; K160-L197 HydrophobicContact CG-CD1 4.23Å; K160-L197 PolarHBondContact O-N 3.39Å; K160-T198 HydrophobicContact CB-CG2 4.25Å; K160-T198 PolarHBondContact N-OG1 3.06Å; K160-T198 PolarHBondContact O-N 3.02Å
161	V	96.4	Very high	91.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.1	177.8	-56.6	0	0	0	0	111.8	I143 M156 T172 M173 V194 K195 T196 V200	I143-V161 HydrophobicContact CD1-CG1 3.85Å; M156-V161 HydrophobicContact CE-CB 3.97Å; M156-V161 HydrophobicContact CE-CG1 3.44Å; M156-V161 VanDerWaalsContact CE-CG1 3.44Å; M156-V161 HydrophobicContact CE-CG2 3.48Å; M156-V161 VanDerWaalsContact CE-CG2 3.48Å; V161-T172 CarbonylContact O-C 3.57Å; V161-T172 WeakPolarHBondContact O-CA 3.37Å; V161-T172 WeakPolarHBondContact O-CG2 3.49Å; V161-M173 HydrophobicContact CG2-CB 3.88Å; V161-M173 HydrophobicContact CG2-CE 3.54Å; V161-M173 PolarHBondContact N-O 2.95Å; V161-M173 PolarHBondContact O-N 3.25Å; V161-V194 HydrophobicContact CB-CG1 3.74Å; V161-V194 HydrophobicContact CG1-CG1 4.23Å; V161-V194 HydrophobicContact CG2-CG1 3.64Å; V161-K195 CarbonylContact C-O 3.58Å; V161-K195 WeakPolarHBondContact CA-O 3.41Å; V161-K195 VanDerWaalsContact CB-O 3.31Å; V161-K195 WeakPolarHBondContact CB-O 3.47Å; V161-T196 HydrophobicContact CG1-CG2 4.21Å; V161-V200 HydrophobicContact CG1-CG1 4.01Å
162	E	95.6	Very high	91.8	Very high	48 Å²	48	57 Å²	57	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.1	172.1	-176.3	173	82.2	0	0	110.6	T164 K169 V194 K195 L197	E162-T164 HydrophobicContact CG-CG2 4.22Å; E162-K169 HydrophobicContact CG-CD 4.28Å; E162-K169 HydrophobicContact CG-CG 4.1Å; E162-K169 VanDerWaalsContact OE2-CD 3.24Å; E162-K169 WeakPolarHBondContact OE2-CD 3.47Å; E162-K169 WeakPolarHBondContact OE2-CE 3.39Å; E162-K169 IonicContact OE2-NZ 3.89Å; E162-K169 PolarHBondContact OE2-NZ 3.01Å; E162-V194 WeakPolarHBondContact O-CA 3.31Å; E162-K195 PolarHBondContact N-O 2.75Å; E162-K195 PolarHBondContact O-N 2.73Å; E162-L197 HydrophobicContact CB-CD1 4.15Å; E162-L197 HydrophobicContact CB-CD2 4Å; E162-L197 HydrophobicContact CB-CG 4.03Å
163	V	93.6	Very high	92.1	Very high	14 Å²	14	57.1 Å²	57.1	9%	0.085	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.7	175.7	-170.9	0	0	0	0	109.2	L170 C171 M173 A192 T193 V194	V163-L170 HydrophobicContact CG1-CD1 4.25Å; V163-L170 PolarHBondContact O-N 3.16Å; V163-C171 PolarHBondContact N-O 3.09Å; V163-C171 PolarHBondContact O-N 3.03Å; V163-M173 HydrophobicContact CG2-CE 3.32Å; V163-M173 HydrophobicContact CG2-CG 4.19Å; V163-M173 HydrophobicContact CG2-SD 3.93Å; V163-A192 HydrophobicContact CG1-CB 3.68Å; V163-T193 WeakPolarHBondContact CA-O 3.42Å; V163-V194 HydrophobicContact CG1-CG2 4.47Å; V163-V194 HydrophobicContact CG2-CG2 4.28Å
164	T	91.4	Very high	92.2	Very high	22 Å²	22	58.1 Å²	58.1	14%	0.135	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.2	179.8	50.5	0	0	0	0	110.5	E162 L168 K169 A192 T193	E162-T164 HydrophobicContact CG-CG2 4.22Å; T164-L168 CarbonylContact C-O 3.57Å; T164-L168 WeakPolarHBondContact CA-O 3.49Å; T164-K169 HydrophobicContact CG2-CB 4.45Å; T164-A192 CarbonylContact O-C 3.46Å; T164-A192 WeakPolarHBondContact O-CA 3.3Å; T164-A192 WeakPolarHBondContact O-CB 3.27Å; T164-T193 PolarHBondContact N-O 3Å; T164-T193 PolarHBondContact O-N 3.47Å; T164-T193 WeakPolarHBondContact OG1-CB 3.34Å; T164-T193 PolarHBondContact OG1-O 2.86Å
165	K	86.9	Confident	92.3	Very high	90 Å²	90	61.1 Å²	61.1	39%	0.391	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.7	171.7	-179.3	179.7	-179.6	-174.4	0	108.5	E146 S167 L168 L170 A192	E146-K165 WeakPolarHBondContact OE2-CA 3.49Å; K165-S167 PolarHBondContact O-N 3.02Å; K165-S167 VanDerWaalsContact O-N 3.11Å; K165-L168 PolarHBondContact N-O 3.3Å; K165-L168 WeakPolarHBondContact O-CB 3.35Å; K165-L168 PolarHBondContact O-N 3.37Å; K165-L170 HydrophobicContact CB-CD1 3.68Å; K165-L170 HydrophobicContact CB-CD2 4.37Å; K165-L170 HydrophobicContact CB-CG 4.08Å; K165-A192 HydrophobicContact CB-CB 4.39Å
166	E	85.9	Confident	92.1	Very high	144 Å²	144	62 Å²	62	67%	0.673	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.8	-175.7	-64.4	171.2	-160.9	0	0	112.4	E146 L168	E146-E166 PolarHBondContact OE2-N 3.39Å; E166-L168 PolarHBondContact O-N 2.99Å
167	S	82.4	Confident	92	Very high	121 Å²	121	66.2 Å²	66.2	85%	0.846	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	2.5	-174.2	-45.8	0	0	0	0	116.3	K165	K165-S167 PolarHBondContact O-N 3.02Å; K165-S167 VanDerWaalsContact O-N 3.11Å
168	L	88.3	Confident	91.8	Very high	122 Å²	122	64.2 Å²	64.2	64%	0.639	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.6	171.6	-96.7	147.5	0	0	0	110.7	T164 K165 E166 L170	T164-L168 CarbonylContact C-O 3.57Å; T164-L168 WeakPolarHBondContact CA-O 3.49Å; K165-L168 PolarHBondContact N-O 3.3Å; K165-L168 WeakPolarHBondContact O-CB 3.35Å; K165-L168 PolarHBondContact O-N 3.37Å; E166-L168 PolarHBondContact O-N 2.99Å; L168-L170 PolarHBondContact O-N 3.45Å
169	K	90.5	Very high	91.5	Very high	115 Å²	115	60.3 Å²	60.3	50%	0.5	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.5	173.9	-179.1	177.4	-177.9	150.1	0	110	E162 T164 T172	E162-K169 HydrophobicContact CG-CD 4.28Å; E162-K169 HydrophobicContact CG-CG 4.1Å; E162-K169 VanDerWaalsContact OE2-CD 3.24Å; E162-K169 WeakPolarHBondContact OE2-CD 3.47Å; E162-K169 WeakPolarHBondContact OE2-CE 3.39Å; E162-K169 IonicContact OE2-NZ 3.89Å; E162-K169 PolarHBondContact OE2-NZ 3.01Å; T164-K169 HydrophobicContact CG2-CB 4.45Å; K169-T172 VanDerWaalsContact CE-OG1 3.22Å; K169-T172 WeakPolarHBondContact CE-OG1 3.42Å; K169-T172 PolarHBondContact NZ-OG1 3.27Å
170	L	87.1	Confident	90.9	Very high	104 Å²	104	60.2 Å²	60.2	55%	0.545	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-55.1	176.6	-64.2	-177.8	0	0	0	110.8	V163 K165 L168 A192	V163-L170 HydrophobicContact CG1-CD1 4.25Å; V163-L170 PolarHBondContact O-N 3.16Å; K165-L170 HydrophobicContact CB-CD1 3.68Å; K165-L170 HydrophobicContact CB-CD2 4.37Å; K165-L170 HydrophobicContact CB-CG 4.08Å; L168-L170 PolarHBondContact O-N 3.45Å; L170-A192 HydrophobicContact CD1-CB 4.45Å
171	C	90.4	Very high	90	Very high	59 Å²	59	56.8 Å²	56.8	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	-179.3	-176.8	69.2	0	0	0	0	111.9	V163	V163-C171 PolarHBondContact N-O 3.09Å; V163-C171 PolarHBondContact O-N 3.03Å
172	T	93.2	Very high	88.7	Confident	53 Å²	53	58.5 Å²	58.5	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.1	172.5	-54	0	0	0	0	108.1	K160 V161 K169 L197	K160-T172 HydrophobicContact CD-CG2 4.02Å; K160-T172 HydrophobicContact CG-CG2 3.68Å; V161-T172 CarbonylContact O-C 3.57Å; V161-T172 WeakPolarHBondContact O-CA 3.37Å; V161-T172 WeakPolarHBondContact O-CG2 3.49Å; K169-T172 VanDerWaalsContact CE-OG1 3.22Å; K169-T172 WeakPolarHBondContact CE-OG1 3.42Å; K169-T172 PolarHBondContact NZ-OG1 3.27Å; T172-L197 HydrophobicContact CG2-CD1 3.65Å
173	M	93.8	Very high	87.3	Confident	33 Å²	33	56.2 Å²	56.2	16%	0.163	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.8	-176.1	-54.7	-179.3	-61.4	0	0	110.1	K160 V161 V163 K177 F179 V194	K160-M173 WeakPolarHBondContact CA-O 3.3Å; V161-M173 HydrophobicContact CG2-CB 3.88Å; V161-M173 HydrophobicContact CG2-CE 3.54Å; V161-M173 PolarHBondContact N-O 2.95Å; V161-M173 PolarHBondContact O-N 3.25Å; V163-M173 HydrophobicContact CG2-CE 3.32Å; V163-M173 HydrophobicContact CG2-CG 4.19Å; V163-M173 HydrophobicContact CG2-SD 3.93Å; M173-K177 HydrophobicContact CB-CB 4.48Å; M173-F179 HydrophobicContact CE-CB 3.73Å; M173-F179 HydrophobicContact CE-CD1 3.97Å; M173-F179 HydrophobicContact CE-CG 3.86Å; M173-F179 HydrophobicContact SD-CB 4.37Å; M173-V194 HydrophobicContact CE-CG1 4.4Å
174	G	93.1	Very high	86	Confident	25 Å²	25	55.6 Å²	55.6	26%	0.258	31%	0.309	S	S	.	.			trans	-120.4	-165.7	175.7	0	0	0	0	0	111.8
175	P	94.5	Very high	84.5	Confident	72 Å²	72	55.5 Å²	55.5	47%	0.468	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	151.1	-178.6	-26.7	38	0	0	0	113.3	M156 E157 G159	M156-P175 CarbonylContact O-C 3.48Å; M156-P175 WeakPolarHBondContact O-CA 3.28Å; E157-P175 WeakPolarHBondContact O-CB 3.33Å; G159-P175 WeakPolarHBondContact O-CD 3.05Å
176	G	92.3	Very high	83.3	Confident	20 Å²	20	51.7 Å²	51.7	21%	0.206	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	17.3	179.6	0	0	0	0	0	114.3	A110 M156	A110-G176 WeakPolarHBondContact CA-O 3.31Å; A110-G176 VanDerWaalsContact CB-O 3.28Å; A110-G176 WeakPolarHBondContact CB-O 3.29Å; M156-G176 PolarHBondContact O-N 3.31Å
177	K	92.8	Very high	82.1	Confident	88 Å²	88	48 Å²	48	38%	0.383	28%	0.276	S	S	.	.			trans	-113.7	137.7	177.5	-63	-62	177.9	-175	0	112	D113 M156 M173	D113-K177 IonicContact OD2-NZ 3.92Å; D113-K177 PolarHBondContact OD2-NZ 3.06Å; M156-K177 PolarHBondContact N-O 3.42Å; M173-K177 HydrophobicContact CB-CB 4.48Å
178	V	91.8	Very high	81.1	Confident	12 Å²	12	44 Å²	44	7%	0.073	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140	169.9	177.3	0	0	0	0	109.2	A110 I111 N114 M117 V153 Y154 V155 E181	A110-V178 HydrophobicContact CB-CG2 4.23Å; A110-V178 VanDerWaalsContact O-CG2 3.28Å; A110-V178 WeakPolarHBondContact O-CG2 3.36Å; I111-V178 HydrophobicContact CG1-CG2 4.43Å; N114-V178 HydrophobicContact CB-CB 4.31Å; N114-V178 HydrophobicContact CB-CG2 4.16Å; M117-V178 HydrophobicContact SD-CG1 3.79Å; M117-V178 HydrophobicContact SD-CG2 4.34Å; V153-V178 HydrophobicContact CG1-CG1 3.68Å; Y154-V178 CarbonylContact O-C 3.43Å; Y154-V178 VanDerWaalsContact O-CA 3.31Å; Y154-V178 WeakPolarHBondContact O-CA 3.44Å; V155-V178 HydrophobicContact CG2-CG2 3.78Å; V178-E181 HydrophobicContact CG1-CB 4.32Å
179	F	89.7	Confident	80.3	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150.8	167	62.4	-86.9	0	0	0	112.5	I143 I144 Y154 M156 M173 E181 V194 L202	I143-F179 HydrophobicContact CD1-CE2 4.37Å; I143-F179 HydrophobicContact CD1-CZ 4.15Å; I143-F179 HydrophobicContact CG2-CE2 4.08Å; I144-F179 HydrophobicContact CD1-CD2 3.81Å; I144-F179 HydrophobicContact CD1-CE2 4.22Å; Y154-F179 VanDerWaalsContact CB-CZ 3.47Å; Y154-F179 AromaticContact CD2-CD2 3.97Å; Y154-F179 HydrophobicContact CD2-CD2 3.97Å; Y154-F179 AromaticContact CD2-CE2 3.52Å; Y154-F179 HydrophobicContact CD2-CE2 3.52Å; Y154-F179 HydrophobicContact CD2-CZ 4.16Å; Y154-F179 HydrophobicContact CE2-CE2 4.39Å; Y154-F179 HydrophobicContact CG-CD2 4.46Å; Y154-F179 AromaticContact CG-CE2 3.82Å; Y154-F179 HydrophobicContact CG-CE2 3.82Å; Y154-F179 AromaticContact CG-CZ 3.97Å; Y154-F179 HydrophobicContact CG-CZ 3.97Å; Y154-F179 PolarHBondContact N-O 3.49Å; Y154-F179 PolarHBondContact O-N 3.45Å; M156-F179 HydrophobicContact CB-CE1 4.37Å; M156-F179 HydrophobicContact CE-CE1 3.96Å; M173-F179 HydrophobicContact CE-CB 3.73Å; M173-F179 HydrophobicContact CE-CD1 3.97Å; M173-F179 HydrophobicContact CE-CG 3.86Å; M173-F179 HydrophobicContact SD-CB 4.37Å; F179-E181 VanDerWaalsContact C-OE2 3.3Å; F179-E181 WeakPolarHBondContact CA-OE2 3.49Å; F179-V194 HydrophobicContact CD2-CG1 4.3Å; F179-V194 HydrophobicContact CD2-CG2 4.4Å; F179-V194 HydrophobicContact CE2-CG1 4.13Å; F179-L202 HydrophobicContact CE1-CD2 3.94Å; F179-L202 HydrophobicContact CZ-CD1 3.93Å; F179-L202 HydrophobicContact CZ-CD2 3.85Å
180	G	83.1	Confident	79.9	Confident	10 Å²	10	37.4 Å²	37.4	10%	0.103	22%	0.219	C	C	.	.			trans	91.8	5.4	178.7	0	0	0	0	0	114.6	L182 R190	G180-L182 VanDerWaalsContact C-N 3.28Å; G180-L182 PolarHBondContact O-N 2.98Å; G180-R190 PolarHBondContact O-NH1 2.76Å
181	E	78.2	Confident	79.5	Confident	32 Å²	32	35.9 Å²	35.9	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-36.7	175.9	69.7	-82.8	-143.4	0	0	113.5	N114 V153 V178 F179 A183 I184 L185	N114-E181 PolarHBondContact ND2-OE1 3.18Å; V153-E181 HydrophobicContact CG1-CB 4.36Å; V153-E181 HydrophobicContact CG2-CB 4.21Å; V178-E181 HydrophobicContact CG1-CB 4.32Å; F179-E181 VanDerWaalsContact C-OE2 3.3Å; F179-E181 WeakPolarHBondContact CA-OE2 3.49Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3Å; E181-I184 PolarHBondContact O-N 3.4Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 3.38Å
182	L	68.1	Low	79.3	Confident	36 Å²	36	33.7 Å²	33.7	19%	0.188	20%	0.2	C	C	.	.	H	α-helix	trans	-58.3	-42.6	-174.8	-60.4	178.3	0	0	0	112.7	G180 I184 Y186 C188 T191 M579	G180-L182 VanDerWaalsContact C-N 3.28Å; G180-L182 PolarHBondContact O-N 2.98Å; L182-I184 VanDerWaalsContact C-N 3.31Å; L182-I184 PolarHBondContact O-N 2.96Å; L182-Y186 HydrophobicContact CD2-CE2 4.33Å; L182-Y186 WeakPolarHBondContact O-CD2 3.41Å; L182-Y186 PolarHBondContact O-N 3.03Å; L182-C188 VanDerWaalsContact C-SG 3.54Å; L182-C188 PolarHBondContact O-SG 3.11Å; L182-T191 HydrophobicContact CD1-CG2 4.18Å; L182-M579 HydrophobicContact CD2-CB 3.86Å; L182-M579 HydrophobicContact CD2-CG 3.7Å; L182-M579 HydrophobicContact CD2-SD 3.41Å; L182-M579 WeakPolarHBondContact CD2-SD 3.16Å
183	A	65.6	Low	79.2	Confident	1 Å²	1	32 Å²	32	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-76.4	-20.4	-174.3	0	0	0	0	0	113.1	G150 E181 C188 R207	G150-A183 VanDerWaalsContact CA-CB 3.49Å; G150-A183 CarbonylContact O-C 3.5Å; G150-A183 WeakPolarHBondContact O-CB 3.49Å; G150-A183 VanDerWaalsContact O-O 3.09Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3Å; A183-C188 WeakPolarHBondContact CB-O 3.18Å; A183-R207 PolarHBondContact O-NH2 2.77Å
184	I	66.7	Low	79.2	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-82.3	-40.2	175	-80.9	-174.6	0	0	0	111.4	S151 L152 V153 E181 L182 I205 R207 F210	S151-I184 WeakPolarHBondContact O-CD1 3.43Å; L152-I184 VanDerWaalsContact C-CD1 3.42Å; V153-I184 HydrophobicContact CB-CD1 4.18Å; V153-I184 HydrophobicContact CG2-CB 3.99Å; V153-I184 HydrophobicContact CG2-CD1 3.44Å; V153-I184 VanDerWaalsContact CG2-CD1 3.44Å; V153-I184 HydrophobicContact CG2-CG1 4.08Å; V153-I184 HydrophobicContact CG2-CG2 4.36Å; V153-I184 VanDerWaalsContact N-CD1 3.28Å; E181-I184 PolarHBondContact O-N 3.4Å; L182-I184 VanDerWaalsContact C-N 3.31Å; L182-I184 PolarHBondContact O-N 2.96Å; I184-I205 WeakPolarHBondContact CD1-O 3.2Å; I184-R207 HydrophobicContact CB-CG 4.4Å; I184-R207 HydrophobicContact CD1-CB 4.22Å; I184-R207 HydrophobicContact CG1-CB 3.85Å; I184-R207 HydrophobicContact CG1-CG 4.24Å; I184-R207 HydrophobicContact CG2-CB 4.35Å; I184-R207 HydrophobicContact CG2-CG 4.08Å; I184-F210 HydrophobicContact CG2-CB 4.01Å; I184-F210 HydrophobicContact CG2-CD1 3.52Å; I184-F210 HydrophobicContact CG2-CE1 4.26Å; I184-F210 HydrophobicContact CG2-CG 3.88Å
185	L	61.2	Low	79.4	Confident	20 Å²	20	34.6 Å²	34.6	11%	0.105	19%	0.194	C	C	.	.	H	α-helix	trans	-71.6	-39.8	-176.3	-65.7	165.5	0	0	0	112.2	F116 E181 F210	F116-L185 HydrophobicContact CD1-CD1 3.39Å; F116-L185 HydrophobicContact CD1-CD2 4.4Å; F116-L185 HydrophobicContact CE1-CD1 3.28Å; F116-L185 HydrophobicContact CE1-CD2 3.49Å; F116-L185 VanDerWaalsContact CE1-CD2 3.49Å; F116-L185 HydrophobicContact CE1-CG 4.02Å; F116-L185 HydrophobicContact CG-CD1 4.09Å; F116-L185 HydrophobicContact CZ-CD1 3.89Å; F116-L185 HydrophobicContact CZ-CD2 3.92Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 3.38Å; L185-F210 HydrophobicContact CD2-CE1 3.54Å; L185-F210 HydrophobicContact CD2-CZ 4.04Å
186	Y	61.2	Low	79.5	Confident	9 Å²	9	31.2 Å²	31.2	4%	0.035	17%	0.172	C	C	.	.	S	Bend	trans	-120.8	7.1	-163.2	-47.9	-50	0	0	0	114.2	L182 C188 F533 I545 M579 Y582	L182-Y186 HydrophobicContact CD2-CE2 4.33Å; L182-Y186 WeakPolarHBondContact O-CD2 3.41Å; L182-Y186 PolarHBondContact O-N 3.03Å; Y186-C188 PolarHBondContact O-N 2.67Å; Y186-F533 AromaticContact CD1-CD1 3.68Å; Y186-F533 HydrophobicContact CD1-CD1 3.68Å; Y186-F533 AromaticContact CD1-CD2 3.74Å; Y186-F533 HydrophobicContact CD1-CD2 3.74Å; Y186-F533 AromaticContact CD1-CE1 3.25Å; Y186-F533 HydrophobicContact CD1-CE1 3.25Å; Y186-F533 AromaticContact CD1-CE2 3.34Å; Y186-F533 HydrophobicContact CD1-CE2 3.34Å; Y186-F533 AromaticContact CD1-CG 3.93Å; Y186-F533 HydrophobicContact CD1-CG 3.93Å; Y186-F533 AromaticContact CD1-CZ 3.08Å; Y186-F533 HydrophobicContact CD1-CZ 3.08Å; Y186-F533 AromaticContact CE1-CD2 3.91Å; Y186-F533 HydrophobicContact CE1-CD2 3.91Å; Y186-F533 HydrophobicContact CE1-CE1 4.05Å; Y186-F533 AromaticContact CE1-CE2 3.29Å; Y186-F533 HydrophobicContact CE1-CE2 3.29Å; Y186-F533 AromaticContact CE1-CZ 3.39Å; Y186-F533 HydrophobicContact CE1-CZ 3.39Å; Y186-F533 HydrophobicContact CG-CD1 4.43Å; Y186-F533 AromaticContact CG-CE1 3.93Å; Y186-F533 HydrophobicContact CG-CE1 3.93Å; Y186-F533 HydrophobicContact CG-CZ 4.04Å; Y186-I545 HydrophobicContact CE1-CG2 4.46Å; Y186-M579 HydrophobicContact CE2-SD 4.23Å; Y186-Y582 HydrophobicContact CD1-CE2 4.17Å; Y186-Y582 HydrophobicContact CD2-CD2 4.43Å; Y186-Y582 AromaticContact CD2-CE2 3.83Å; Y186-Y582 HydrophobicContact CD2-CE2 3.83Å; Y186-Y582 HydrophobicContact CE1-CD2 4.08Å; Y186-Y582 AromaticContact CE1-CE2 3.81Å; Y186-Y582 HydrophobicContact CE1-CE2 3.81Å; Y186-Y582 AromaticContact CE2-CD2 3.6Å; Y186-Y582 HydrophobicContact CE2-CD2 3.6Å; Y186-Y582 AromaticContact CE2-CE2 3.45Å; Y186-Y582 HydrophobicContact CE2-CE2 3.45Å; Y186-Y582 VanDerWaalsContact CE2-CE2 3.45Å; Y186-Y582 HydrophobicContact CG-CE2 4.16Å; Y186-Y582 AromaticContact CZ-CD2 3.37Å; Y186-Y582 AromaticContact CZ-CE2 3.42Å; Y186-Y582 VanDerWaalsContact CZ-CE2 3.42Å; Y186-Y582 VanDerWaalsContact OH-CD2 3.27Å; Y186-Y582 WeakPolarHBondContact OH-CD2 3.37Å
187	N	60.2	Low	79.6	Confident	68 Å²	68	33.1 Å²	33.1	36%	0.364	18%	0.177	S	C	.	.			trans	47.2	28.9	-171.3	-168.1	37.4	0	0	0	113.1	A79 R207	A79-N187 HydrophobicContact CB-CB 3.29Å; N187-R207 VanDerWaalsContact OD1-CZ 3.27Å; N187-R207 PolarHBondContact OD1-NH1 3.36Å; N187-R207 PolarHBondContact OD1-NH2 3.05Å
188	C	62.3	Low	79.8	Confident	36 Å²	36	31.5 Å²	31.5	24%	0.243	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-83.2	156.1	178.7	66.2	0	0	0	0	110.4	L182 A183 Y186	L182-C188 VanDerWaalsContact C-SG 3.54Å; L182-C188 PolarHBondContact O-SG 3.11Å; A183-C188 WeakPolarHBondContact CB-O 3.18Å; Y186-C188 PolarHBondContact O-N 2.67Å
189	T	71.6	Confident	80	Confident	76 Å²	76	36.3 Å²	36.3	47%	0.466	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-64.8	150.7	168.7	52.6	0	0	0	0	109.8	G147 D148 T191	G147-T189 WeakPolarHBondContact O-CB 3.36Å; G147-T189 WeakPolarHBondContact O-CG2 3.33Å; D148-T189 CarbonylContact O-C 3.47Å; D148-T189 VanDerWaalsContact O-CA 3.31Å; D148-T189 WeakPolarHBondContact O-CA 3.46Å; T189-T191 PolarHBondContact O-N 2.87Å
190	R	81.4	Confident	80.3	Confident	22 Å²	22	36.1 Å²	36.1	8%	0.083	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-55.6	124.6	175	-63.4	-69.2	-159.9	-173.3	-1	109.3	I144 K145 E146 G147 D148 L152 G180 A192	I144-R190 HydrophobicContact CG2-CB 3.57Å; I144-R190 HydrophobicContact CG2-CG 3.5Å; K145-R190 WeakPolarHBondContact O-CB 3.44Å; E146-R190 WeakPolarHBondContact CA-O 3.4Å; G147-R190 PolarHBondContact N-O 2.71Å; D148-R190 HydrophobicContact CB-CG 4.41Å; D148-R190 VanDerWaalsContact O-CG 3.24Å; D148-R190 WeakPolarHBondContact O-CG 3.19Å; D148-R190 PolarHBondContact O-N 3.38Å; L152-R190 PolarHBondContact O-NH1 3.34Å; L152-R190 PolarHBondContact O-NH2 2.93Å; G180-R190 PolarHBondContact O-NH1 2.76Å; R190-A192 VanDerWaalsContact C-N 3.35Å
191	T	78.1	Confident	81	Confident	72 Å²	72	40 Å²	40	44%	0.442	21%	0.214	S	C	.	.	S	Bend	trans	-84.1	-11.7	-172.7	53.9	0	0	0	0	114	L182 T189	L182-T191 HydrophobicContact CD1-CG2 4.18Å; T189-T191 PolarHBondContact O-N 2.87Å
192	A	86.3	Confident	81.8	Confident	13 Å²	13	38.6 Å²	38.6	11%	0.107	21%	0.207	C	C	.	.	S	Bend	trans	-154.1	158.2	-178.9	0	0	0	0	0	109.7	I144 V163 T164 K165 L170 R190	I144-A192 VanDerWaalsContact CG2-O 3.24Å; I144-A192 WeakPolarHBondContact CG2-O 3.31Å; V163-A192 HydrophobicContact CG1-CB 3.68Å; T164-A192 CarbonylContact O-C 3.46Å; T164-A192 WeakPolarHBondContact O-CA 3.3Å; T164-A192 WeakPolarHBondContact O-CB 3.27Å; K165-A192 HydrophobicContact CB-CB 4.39Å; L170-A192 HydrophobicContact CD1-CB 4.45Å; R190-A192 VanDerWaalsContact C-N 3.35Å
193	T	91.5	Very high	83.2	Confident	19 Å²	19	37.7 Å²	37.7	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134	172.7	-63.3	0	0	0	0	109.9	I144 E146 V163 T164 K195	I144-T193 CarbonylContact O-C 3.49Å; I144-T193 VanDerWaalsContact O-CA 3.29Å; I144-T193 WeakPolarHBondContact O-CA 3.4Å; I144-T193 WeakPolarHBondContact O-CG2 3.15Å; E146-T193 WeakPolarHBondContact CB-OG1 3.39Å; E146-T193 PolarHBondContact N-OG1 3.22Å; V163-T193 WeakPolarHBondContact CA-O 3.42Å; T164-T193 PolarHBondContact N-O 3Å; T164-T193 PolarHBondContact O-N 3.47Å; T164-T193 WeakPolarHBondContact OG1-CB 3.34Å; T164-T193 PolarHBondContact OG1-O 2.86Å; T193-K195 HydrophobicContact CG2-CG 4.15Å
194	V	94.6	Very high	84.6	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.4	177.4	-174.3	0	0	0	0	109.7	I143 I144 V161 E162 V163 M173 F179	I143-V194 HydrophobicContact CD1-CG1 4.42Å; I143-V194 PolarHBondContact N-O 3.17Å; I144-V194 HydrophobicContact CB-CB 3.98Å; I144-V194 HydrophobicContact CB-CG2 4Å; I144-V194 HydrophobicContact CD1-CG2 4.16Å; I144-V194 HydrophobicContact CG1-CG2 4.48Å; I144-V194 PolarHBondContact N-O 2.6Å; I144-V194 PolarHBondContact O-N 2.95Å; V161-V194 HydrophobicContact CB-CG1 3.74Å; V161-V194 HydrophobicContact CG1-CG1 4.23Å; V161-V194 HydrophobicContact CG2-CG1 3.64Å; E162-V194 WeakPolarHBondContact O-CA 3.31Å; V163-V194 HydrophobicContact CG1-CG2 4.47Å; V163-V194 HydrophobicContact CG2-CG2 4.28Å; M173-V194 HydrophobicContact CE-CG1 4.4Å; F179-V194 HydrophobicContact CD2-CG1 4.3Å; F179-V194 HydrophobicContact CD2-CG2 4.4Å; F179-V194 HydrophobicContact CE2-CG1 4.13Å
195	K	95.8	Very high	85.8	Confident	103 Å²	103	37.6 Å²	37.6	45%	0.448	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	179.4	-71.4	-179.4	-179.8	177.5	0	111.9	S141 C142 V161 E162 T193	S141-K195 CarbonylContact O-C 3.47Å; S141-K195 VanDerWaalsContact O-CA 3.3Å; S141-K195 WeakPolarHBondContact O-CA 3.48Å; C142-K195 HydrophobicContact CB-CG 4.35Å; V161-K195 CarbonylContact C-O 3.58Å; V161-K195 WeakPolarHBondContact CA-O 3.41Å; V161-K195 VanDerWaalsContact CB-O 3.31Å; V161-K195 WeakPolarHBondContact CB-O 3.47Å; E162-K195 PolarHBondContact N-O 2.75Å; E162-K195 PolarHBondContact O-N 2.73Å; T193-K195 HydrophobicContact CG2-CG 4.15Å
196	T	96.8	Very high	87	Confident	2 Å²	2	39 Å²	39	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.8	179.3	60.1	0	0	0	0	111.6	G138 D140 S141 I143 V161 T198 V200	G138-T196 PolarHBondContact O-OG1 2.99Å; D140-T196 WeakPolarHBondContact CA-O 3.46Å; D140-T196 PolarHBondContact N-O 3.49Å; D140-T196 PolarHBondContact N-OG1 3.39Å; S141-T196 PolarHBondContact N-OG1 2.92Å; S141-T196 PolarHBondContact O-N 2.75Å; S141-T196 PolarHBondContact O-OG1 2.93Å; I143-T196 HydrophobicContact CD1-CG2 3.49Å; I143-T196 VanDerWaalsContact CD1-CG2 3.49Å; I143-T196 HydrophobicContact CG1-CG2 3.85Å; V161-T196 HydrophobicContact CG1-CG2 4.21Å; T196-T198 WeakPolarHBondContact CB-O 3.49Å; T196-V200 HydrophobicContact CG2-CB 4.37Å; T196-V200 HydrophobicContact CG2-CG1 3.89Å; T196-V200 HydrophobicContact CG2-CG2 3.47Å; T196-V200 VanDerWaalsContact CG2-CG2 3.47Å
197	L	95.4	Very high	88	Confident	59 Å²	59	40.2 Å²	40.2	31%	0.309	21%	0.213	S	C	.	.	S	Bend	trans	-92.8	-22.4	172.7	-64.6	-177.8	0	0	0	112.2	K139 K160 E162 T172	K139-L197 WeakPolarHBondContact CG-O 3.42Å; K160-L197 HydrophobicContact CB-CB 4.41Å; K160-L197 HydrophobicContact CD-CD1 4.44Å; K160-L197 HydrophobicContact CG-CD1 4.23Å; K160-L197 PolarHBondContact O-N 3.39Å; E162-L197 HydrophobicContact CB-CD1 4.15Å; E162-L197 HydrophobicContact CB-CD2 4Å; E162-L197 HydrophobicContact CB-CG 4.03Å; T172-L197 HydrophobicContact CG2-CD1 3.65Å
198	T	96.6	Very high	88.9	Confident	55 Å²	55	41 Å²	41	34%	0.337	21%	0.214	S	C	.	.	S	Bend	trans	-131.1	178.1	174.1	64.3	0	0	0	0	109.2	G159 K160 T196	G159-T198 WeakPolarHBondContact CA-OG1 3.23Å; K160-T198 HydrophobicContact CB-CG2 4.25Å; K160-T198 PolarHBondContact N-OG1 3.06Å; K160-T198 PolarHBondContact O-N 3.02Å; T196-T198 WeakPolarHBondContact CB-O 3.49Å
199	N	95.5	Very high	90	Very high	113 Å²	113	39.6 Å²	39.6	60%	0.604	21%	0.205	S	C	*	.			trans	-61.3	139.9	158.4	-61.1	-23	0	0	0	108	Y137 G138 K139 G159	Y137-N199 WeakPolarHBondContact O-CA 3.41Å; G138-N199 WeakPolarHBondContact CA-OD1 3.43Å; K139-N199 PolarHBondContact N-OD1 2.97Å; G159-N199 WeakPolarHBondContact CA-O 3.24Å
200	V	97	Very high	90.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.7	-177.5	-56.2	0	0	0	0	111	E136 Y137 I143 D158 V161 T196 L202	E136-V200 WeakPolarHBondContact CA-O 3.42Å; Y137-V200 HydrophobicContact CD2-CG2 4.41Å; Y137-V200 PolarHBondContact N-O 3.33Å; Y137-V200 VanDerWaalsContact N-O 3.1Å; Y137-V200 PolarHBondContact O-N 3.2Å; I143-V200 HydrophobicContact CD1-CG2 4.25Å; D158-V200 VanDerWaalsContact O-CA 3.26Å; D158-V200 WeakPolarHBondContact O-CA 3.47Å; V161-V200 HydrophobicContact CG1-CG1 4.01Å; T196-V200 HydrophobicContact CG2-CB 4.37Å; T196-V200 HydrophobicContact CG2-CG1 3.89Å; T196-V200 HydrophobicContact CG2-CG2 3.47Å; T196-V200 VanDerWaalsContact CG2-CG2 3.47Å; V200-L202 HydrophobicContact CB-CD2 4.42Å; V200-L202 HydrophobicContact CG2-CD1 4.31Å; V200-L202 HydrophobicContact CG2-CD2 4.3Å; V200-L202 HydrophobicContact CG2-CG 4.14Å
201	K	96.3	Very high	90.5	Very high	93 Å²	93	36.3 Å²	36.3	40%	0.404	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	169.6	-63.6	-172.3	175.9	-173.4	0	109	E136 E157 D158	E136-K201 HydrophobicContact CG-CG 4.23Å; E136-K201 VanDerWaalsContact OE1-CE 3.31Å; E136-K201 WeakPolarHBondContact OE1-CE 3.46Å; E136-K201 IonicContact OE1-NZ 3.94Å; E157-K201 HydrophobicContact CB-CB 4.41Å; E157-K201 PolarHBondContact N-O 3.15Å; D158-K201 HydrophobicContact CB-CB 4.18Å; D158-K201 HydrophobicContact CB-CG 4.44Å; D158-K201 PolarHBondContact N-O 2.69Å; D158-K201 PolarHBondContact O-N 3.19Å
202	L	96.6	Very high	90.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153	-174.5	-52.9	176.4	0	0	0	109.9	P134 V135 Y137 I143 Y154 V155 M156 F179 V200	P134-L202 CarbonylContact C-O 3.55Å; P134-L202 WeakPolarHBondContact CA-O 3.24Å; V135-L202 HydrophobicContact CB-CB 4.41Å; V135-L202 PolarHBondContact N-O 2.97Å; V135-L202 WeakPolarHBondContact O-CA 3.15Å; V135-L202 PolarHBondContact O-N 3.2Å; Y137-L202 HydrophobicContact CD2-CD1 3.67Å; Y137-L202 HydrophobicContact CE2-CD1 3.8Å; I143-L202 HydrophobicContact CD1-CD1 3.93Å; I143-L202 HydrophobicContact CG2-CD1 4.32Å; Y154-L202 HydrophobicContact CD1-CB 4.22Å; Y154-L202 HydrophobicContact CD1-CD1 3.83Å; Y154-L202 HydrophobicContact CE1-CD1 4.36Å; Y154-L202 HydrophobicContact CG-CD1 4.2Å; V155-L202 CarbonylContact O-C 3.59Å; V155-L202 VanDerWaalsContact O-CA 3.29Å; V155-L202 WeakPolarHBondContact O-CA 3.22Å; M156-L202 HydrophobicContact CB-CD2 3.95Å; M156-L202 HydrophobicContact CE-CD2 4.48Å; M156-L202 HydrophobicContact CG-CD2 3.94Å; F179-L202 HydrophobicContact CE1-CD2 3.94Å; F179-L202 HydrophobicContact CZ-CD1 3.93Å; F179-L202 HydrophobicContact CZ-CD2 3.85Å; V200-L202 HydrophobicContact CB-CD2 4.42Å; V200-L202 HydrophobicContact CG2-CD1 4.31Å; V200-L202 HydrophobicContact CG2-CD2 4.3Å; V200-L202 HydrophobicContact CG2-CG 4.14Å
203	W	96.6	Very high	90.5	Very high	16 Å²	16	32.6 Å²	32.6	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.4	162.2	-67.5	94	0	0	0	107.7	K99 I107 M132 Y133 P134 Y154 V155 E157	K99-W203 HydrophobicContact CB-CH2 4.17Å; K99-W203 HydrophobicContact CB-CZ2 4.48Å; K99-W203 HydrophobicContact CD-CD2 4.32Å; K99-W203 HydrophobicContact CD-CE3 3.93Å; K99-W203 HydrophobicContact CD-CH2 3.86Å; K99-W203 HydrophobicContact CD-CZ2 4.25Å; K99-W203 HydrophobicContact CD-CZ3 3.7Å; K99-W203 HydrophobicContact CG-CE3 4.46Å; K99-W203 HydrophobicContact CG-CH2 3.56Å; K99-W203 HydrophobicContact CG-CZ2 4.2Å; K99-W203 HydrophobicContact CG-CZ3 3.72Å; I107-W203 HydrophobicContact CD1-CB 4.02Å; I107-W203 HydrophobicContact CD1-CD2 3.71Å; I107-W203 HydrophobicContact CD1-CE3 4.38Å; I107-W203 HydrophobicContact CD1-CG 3.49Å; I107-W203 VanDerWaalsContact CD1-CG 3.49Å; I107-W203 HydrophobicContact CG1-CB 4.26Å; I107-W203 HydrophobicContact CG1-CG 3.93Å; M132-W203 HydrophobicContact CB-CB 3.9Å; M132-W203 HydrophobicContact CB-CE3 4.32Å; M132-W203 VanDerWaalsContact CE-C 3.5Å; M132-W203 HydrophobicContact CE-CB 4Å; M132-W203 WeakPolarHBondContact CE-O 3.4Å; M132-W203 HydrophobicContact SD-CB 3.88Å; Y133-W203 CarbonylContact O-C 3.54Å; Y133-W203 WeakPolarHBondContact O-CA 3.47Å; P134-W203 HydrophobicContact CB-CE3 4.27Å; P134-W203 HydrophobicContact CB-CH2 4.17Å; P134-W203 HydrophobicContact CB-CZ3 3.94Å; P134-W203 HydrophobicContact CG-CZ3 4.18Å; Y154-W203 CarbonylContact C-O 3.58Å; Y154-W203 VanDerWaalsContact CA-O 3.24Å; Y154-W203 WeakPolarHBondContact CA-O 3.37Å; V155-W203 HydrophobicContact CB-CB 4.38Å; V155-W203 PolarHBondContact N-O 3.26Å; V155-W203 PolarHBondContact O-N 2.88Å; E157-W203 VanDerWaalsContact CD-NE1 3.31Å; E157-W203 PolarHBondContact OE2-NE1 3.42Å
204	A	94.2	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.6	-178.2	0	0	0	0	0	111.3	M132 Y133 V135 V153 Y154	M132-A204 CarbonylContact C-O 3.52Å; M132-A204 WeakPolarHBondContact CA-O 3.42Å; Y133-A204 WeakPolarHBondContact CD1-O 3.12Å; Y133-A204 HydrophobicContact CD2-CB 4.37Å; Y133-A204 HydrophobicContact CE1-CB 4.13Å; Y133-A204 WeakPolarHBondContact CE1-O 3.45Å; Y133-A204 HydrophobicContact CE2-CB 3.89Å; Y133-A204 PolarHBondContact N-O 3.19Å; Y133-A204 PolarHBondContact O-N 3.24Å; V135-A204 HydrophobicContact CG2-CB 3.57Å; V153-A204 VanDerWaalsContact O-CA 3.26Å; V153-A204 WeakPolarHBondContact O-CA 3.42Å; Y154-A204 HydrophobicContact CD1-CB 3.72Å; Y154-A204 HydrophobicContact CE1-CB 3.76Å
205	I	92.2	Very high	89	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.5	166.2	-172.4	169.6	0	0	0	108.6	I128 C131 M132 L152 V153 I184 C209 F210 I213	I128-I205 HydrophobicContact CB-CD1 4.47Å; I128-I205 HydrophobicContact CG1-CD1 4.39Å; I128-I205 HydrophobicContact CG2-CD1 4.1Å; C131-I205 HydrophobicContact CB-CD1 4.04Å; M132-I205 HydrophobicContact CE-CB 4.33Å; M132-I205 HydrophobicContact CE-CG2 4.03Å; M132-I205 HydrophobicContact CG-CB 4.26Å; L152-I205 WeakPolarHBondContact CA-O 3.28Å; V153-I205 HydrophobicContact CB-CG2 3.92Å; V153-I205 HydrophobicContact CG2-CG2 4.47Å; V153-I205 PolarHBondContact N-O 2.91Å; V153-I205 PolarHBondContact O-N 3.02Å; I184-I205 WeakPolarHBondContact CD1-O 3.2Å; I205-C209 HydrophobicContact CD1-CB 4.29Å; I205-C209 HydrophobicContact CG1-CB 3.96Å; I205-F210 HydrophobicContact CD1-CB 4.22Å; I205-F210 HydrophobicContact CD1-CD2 4.5Å; I205-F210 HydrophobicContact CG1-CB 4.38Å; I205-I213 HydrophobicContact CD1-CD1 3.87Å
206	D	87.5	Confident	88.2	Confident	48 Å²	48	29.8 Å²	29.8	26%	0.257	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	159.5	177.6	70	86.9	0	0	0	113	S151 L152 Q208 C209 F210	S151-D206 CarbonylContact O-C 3.55Å; S151-D206 WeakPolarHBondContact O-CA 3.5Å; L152-D206 HydrophobicContact CD2-CB 3.71Å; D206-Q208 VanDerWaalsContact C-N 3.27Å; D206-Q208 PolarHBondContact O-N 3.11Å; D206-Q208 WeakPolarHBondContact OD1-CA 3.39Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.33Å; D206-Q208 PolarHBondContact OD1-N 3.16Å; D206-C209 PolarHBondContact O-N 2.93Å; D206-C209 PolarHBondContact OD1-N 3.05Å; D206-C209 WeakPolarHBondContact OD2-CB 3.26Å; D206-F210 WeakPolarHBondContact O-CB 3.42Å; D206-F210 PolarHBondContact O-N 3.31Å
207	R	81.7	Confident	87	Confident	35 Å²	35	30.8 Å²	30.8	13%	0.132	15%	0.152	C	C	.	.	H	α-helix	trans	-53.9	-44.7	-178.3	-171.2	-175.8	-67.8	175.3	-4.8	112.4	G150 S151 A183 I184 N187 F210 Q211	G150-R207 PolarHBondContact O-NH2 2.68Å; S151-R207 PolarHBondContact O-N 3.28Å; A183-R207 PolarHBondContact O-NH2 2.77Å; I184-R207 HydrophobicContact CB-CG 4.4Å; I184-R207 HydrophobicContact CD1-CB 4.22Å; I184-R207 HydrophobicContact CG1-CB 3.85Å; I184-R207 HydrophobicContact CG1-CG 4.24Å; I184-R207 HydrophobicContact CG2-CB 4.35Å; I184-R207 HydrophobicContact CG2-CG 4.08Å; N187-R207 VanDerWaalsContact OD1-CZ 3.27Å; N187-R207 PolarHBondContact OD1-NH1 3.36Å; N187-R207 PolarHBondContact OD1-NH2 3.05Å; R207-F210 PolarHBondContact O-N 3.12Å; R207-Q211 HydrophobicContact CG-CG 4.21Å; R207-Q211 WeakPolarHBondContact O-CB 3.43Å; R207-Q211 VanDerWaalsContact O-CG 3.29Å; R207-Q211 WeakPolarHBondContact O-CG 3.45Å; R207-Q211 PolarHBondContact O-N 3.29Å
208	Q	79.5	Confident	85.9	Confident	84 Å²	84	29.7 Å²	29.7	39%	0.393	15%	0.154	S	C	.	.	H	α-helix	trans	-67.9	-45.6	-173.7	-176.4	179.1	7.7	0	0	109.9	F84 D206 T212	F84-Q208 HydrophobicContact CE2-CG 3.85Å; D206-Q208 VanDerWaalsContact C-N 3.27Å; D206-Q208 PolarHBondContact O-N 3.11Å; D206-Q208 WeakPolarHBondContact OD1-CA 3.39Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.33Å; D206-Q208 PolarHBondContact OD1-N 3.16Å; Q208-T212 WeakPolarHBondContact O-CB 3.43Å; Q208-T212 PolarHBondContact O-N 3.01Å; Q208-T212 PolarHBondContact O-OG1 3.17Å
209	C	85.2	Confident	84.9	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.054	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-47	174.8	-167.2	0	0	0	0	111.5	C131 I205 D206 T212 I213	C131-C209 VanDerWaalsContact CB-SG 3.54Å; I205-C209 HydrophobicContact CD1-CB 4.29Å; I205-C209 HydrophobicContact CG1-CB 3.96Å; D206-C209 PolarHBondContact O-N 2.93Å; D206-C209 PolarHBondContact OD1-N 3.05Å; D206-C209 WeakPolarHBondContact OD2-CB 3.26Å; C209-T212 PolarHBondContact O-N 3.46Å; C209-I213 WeakPolarHBondContact O-CG1 3.45Å; C209-I213 PolarHBondContact O-N 3.37Å
210	F	85.2	Confident	84.1	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-49.8	178.5	-176.6	-91.3	0	0	0	112.2	M117 L120 I128 I184 L185 I205 D206 R207 T212 I213 M214	M117-F210 HydrophobicContact CE-CE2 3.79Å; L120-F210 HydrophobicContact CD1-CE2 4.36Å; L120-F210 HydrophobicContact CD1-CZ 4.31Å; I128-F210 HydrophobicContact CD1-CD2 4.06Å; I128-F210 HydrophobicContact CD1-CE2 3.63Å; I128-F210 HydrophobicContact CG1-CD2 4.22Å; I128-F210 HydrophobicContact CG1-CE2 4.29Å; I184-F210 HydrophobicContact CG2-CB 4.01Å; I184-F210 HydrophobicContact CG2-CD1 3.52Å; I184-F210 HydrophobicContact CG2-CE1 4.26Å; I184-F210 HydrophobicContact CG2-CG 3.88Å; L185-F210 HydrophobicContact CD2-CE1 3.54Å; L185-F210 HydrophobicContact CD2-CZ 4.04Å; I205-F210 HydrophobicContact CD1-CB 4.22Å; I205-F210 HydrophobicContact CD1-CD2 4.5Å; I205-F210 HydrophobicContact CG1-CB 4.38Å; D206-F210 WeakPolarHBondContact O-CB 3.42Å; D206-F210 PolarHBondContact O-N 3.31Å; R207-F210 PolarHBondContact O-N 3.12Å; F210-T212 VanDerWaalsContact C-N 3.31Å; F210-T212 PolarHBondContact O-N 3.41Å; F210-I213 PolarHBondContact O-N 3.37Å; F210-M214 HydrophobicContact CD1-CG 4.12Å; F210-M214 HydrophobicContact CE1-CG 3.68Å; F210-M214 HydrophobicContact CE1-SD 4.46Å; F210-M214 HydrophobicContact CZ-CG 3.97Å; F210-M214 HydrophobicContact CZ-SD 4.17Å; F210-M214 WeakPolarHBondContact O-CG 3.48Å; F210-M214 PolarHBondContact O-N 3.2Å
211	Q	78.3	Confident	83.2	Confident	22 Å²	22	28.6 Å²	28.6	10%	0.103	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-39.5	177.7	-75.1	179.4	-23.5	0	0	111.9	T82 R207 M214 M215	T82-Q211 PolarHBondContact OG1-OE1 2.94Å; R207-Q211 HydrophobicContact CG-CG 4.21Å; R207-Q211 WeakPolarHBondContact O-CB 3.43Å; R207-Q211 VanDerWaalsContact O-CG 3.29Å; R207-Q211 WeakPolarHBondContact O-CG 3.45Å; R207-Q211 PolarHBondContact O-N 3.29Å; Q211-M214 PolarHBondContact O-N 3.2Å; Q211-M215 WeakPolarHBondContact O-CB 3.43Å; Q211-M215 VanDerWaalsContact O-CG 3.27Å; Q211-M215 WeakPolarHBondContact O-CG 3.44Å; Q211-M215 PolarHBondContact O-N 2.72Å
212	T	80.6	Confident	82.5	Confident	7 Å²	7	25.9 Å²	25.9	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-46.6	178.1	-58.1	0	0	0	0	111	L89 V92 L94 Q208 C209 F210 M214 M215 R216	L89-T212 HydrophobicContact CD2-CG2 4.13Å; V92-T212 HydrophobicContact CB-CG2 4.26Å; V92-T212 HydrophobicContact CG1-CG2 4.01Å; L94-T212 HydrophobicContact CD2-CG2 3.83Å; Q208-T212 WeakPolarHBondContact O-CB 3.43Å; Q208-T212 PolarHBondContact O-N 3.01Å; Q208-T212 PolarHBondContact O-OG1 3.17Å; C209-T212 PolarHBondContact O-N 3.46Å; F210-T212 VanDerWaalsContact C-N 3.31Å; F210-T212 PolarHBondContact O-N 3.41Å; T212-M214 VanDerWaalsContact C-N 3.32Å; T212-M214 PolarHBondContact O-N 3.39Å; T212-M215 PolarHBondContact O-N 2.84Å; T212-R216 WeakPolarHBondContact O-CB 3.32Å; T212-R216 PolarHBondContact O-N 2.95Å
213	I	83.5	Confident	81.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-47.9	175.8	-66.5	161.3	0	0	0	110.2	L94 Q124 E127 I128 C131 I205 C209 F210 M215 R216 T217	L94-I213 HydrophobicContact CD1-CD1 4.44Å; L94-I213 HydrophobicContact CD1-CG1 3.55Å; L94-I213 HydrophobicContact CD2-CG1 4.05Å; L94-I213 HydrophobicContact CG-CG1 4.46Å; Q124-I213 HydrophobicContact CB-CG2 4.2Å; Q124-I213 HydrophobicContact CG-CG2 4.47Å; E127-I213 HydrophobicContact CB-CD1 4.23Å; E127-I213 HydrophobicContact CB-CG1 4.13Å; E127-I213 HydrophobicContact CB-CG2 3.78Å; I128-I213 HydrophobicContact CG1-CD1 3.92Å; I128-I213 HydrophobicContact CG1-CG2 4.21Å; C131-I213 HydrophobicContact CB-CD1 4.16Å; I205-I213 HydrophobicContact CD1-CD1 3.87Å; C209-I213 WeakPolarHBondContact O-CG1 3.45Å; C209-I213 PolarHBondContact O-N 3.37Å; F210-I213 PolarHBondContact O-N 3.37Å; I213-M215 PolarHBondContact O-N 3.05Å; I213-R216 PolarHBondContact O-N 3.39Å; I213-T217 PolarHBondContact O-N 2.71Å; I213-T217 PolarHBondContact O-OG1 3.2Å
214	M	78.7	Confident	81.4	Confident	7 Å²	7	33.8 Å²	33.8	3%	0.034	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-41.7	-178.3	-70.4	-47.4	-46.4	0	0	113.5	L120 F210 Q211 T212 N547	L120-M214 HydrophobicContact CD1-SD 4.21Å; L120-M214 HydrophobicContact CD2-CE 3.54Å; L120-M214 HydrophobicContact CD2-SD 3.61Å; L120-M214 HydrophobicContact CG-SD 4.49Å; F210-M214 HydrophobicContact CD1-CG 4.12Å; F210-M214 HydrophobicContact CE1-CG 3.68Å; F210-M214 HydrophobicContact CE1-SD 4.46Å; F210-M214 HydrophobicContact CZ-CG 3.97Å; F210-M214 HydrophobicContact CZ-SD 4.17Å; F210-M214 WeakPolarHBondContact O-CG 3.48Å; F210-M214 PolarHBondContact O-N 3.2Å; Q211-M214 PolarHBondContact O-N 3.2Å; T212-M214 VanDerWaalsContact C-N 3.32Å; T212-M214 PolarHBondContact O-N 3.39Å; M214-N547 HydrophobicContact CB-CB 4.38Å; M214-N547 VanDerWaalsContact CB-ND2 3.3Å; M214-N547 WeakPolarHBondContact CB-ND2 3.43Å
215	M	76.8	Confident	81.1	Confident	11 Å²	11	34.2 Å²	34.2	5%	0.054	18%	0.175	C	C	.	.	H	α-helix	trans	-76.2	-43.3	-179.4	-67	175.5	68.8	0	0	112.1	P81 I86 L89 Q211 T212 I213 G218 L219 W531	P81-M215 HydrophobicContact CB-SD 4.23Å; I86-M215 HydrophobicContact CG1-CE 4.4Å; L89-M215 HydrophobicContact CD1-CB 4.19Å; L89-M215 HydrophobicContact CD1-CE 3.5Å; L89-M215 HydrophobicContact CD1-SD 4.26Å; Q211-M215 WeakPolarHBondContact O-CB 3.43Å; Q211-M215 VanDerWaalsContact O-CG 3.27Å; Q211-M215 WeakPolarHBondContact O-CG 3.44Å; Q211-M215 PolarHBondContact O-N 2.72Å; T212-M215 PolarHBondContact O-N 2.84Å; I213-M215 PolarHBondContact O-N 3.05Å; M215-G218 PolarHBondContact O-N 3.13Å; M215-L219 HydrophobicContact CB-CD1 4.16Å; M215-L219 WeakPolarHBondContact O-CB 3.35Å; M215-L219 WeakPolarHBondContact O-CD1 3.32Å; M215-L219 VanDerWaalsContact O-CG 3.28Å; M215-L219 WeakPolarHBondContact O-CG 3.22Å; M215-L219 PolarHBondContact O-N 3.03Å; M215-W531 HydrophobicContact CE-CB 3.82Å; M215-W531 HydrophobicContact CE-CD2 3.87Å; M215-W531 HydrophobicContact CE-CE3 4.14Å; M215-W531 HydrophobicContact CE-CG 3.74Å; M215-W531 HydrophobicContact CG-CB 4.3Å; M215-W531 HydrophobicContact CG-CG 3.89Å; M215-W531 HydrophobicContact SD-CB 4.12Å; M215-W531 HydrophobicContact SD-CG 4.22Å
216	R	78.3	Confident	80.9	Confident	54 Å²	54	35 Å²	35	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-49	-169.9	-178.3	-175.2	-175.7	174.4	12.9	112.6	S90 V92 T212 I213 G218 L219 I220	S90-R216 PolarHBondContact O-NH2 2.81Å; V92-R216 VanDerWaalsContact O-CZ 3.26Å; V92-R216 PolarHBondContact O-NH1 2.87Å; V92-R216 PolarHBondContact O-NH2 2.96Å; T212-R216 WeakPolarHBondContact O-CB 3.32Å; T212-R216 PolarHBondContact O-N 2.95Å; I213-R216 PolarHBondContact O-N 3.39Å; R216-G218 VanDerWaalsContact C-N 3.31Å; R216-G218 PolarHBondContact O-N 2.57Å; R216-L219 PolarHBondContact O-N 3.28Å; R216-I220 HydrophobicContact CG-CD1 3.5Å; R216-I220 HydrophobicContact CG-CG1 4.17Å; R216-I220 WeakPolarHBondContact O-CB 3.15Å; R216-I220 VanDerWaalsContact O-CG1 3.29Å; R216-I220 WeakPolarHBondContact O-CG1 3.44Å; R216-I220 PolarHBondContact O-N 3.1Å
217	T	72.3	Confident	80.9	Confident	23 Å²	23	39 Å²	39	14%	0.141	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-44.2	-176.9	-43.7	0	0	0	0	111	Q124 I213 K221	Q124-T217 HydrophobicContact CG-CG2 4.3Å; I213-T217 PolarHBondContact O-N 2.71Å; I213-T217 PolarHBondContact O-OG1 3.2Å; T217-K221 VanDerWaalsContact O-CB 3.31Å; T217-K221 WeakPolarHBondContact O-CB 3.29Å; T217-K221 PolarHBondContact O-N 3.14Å; T217-K221 VanDerWaalsContact O-N 3.16Å
218	G	72.2	Confident	81.3	Confident	35 Å²	35	38.3 Å²	38.3	36%	0.361	19%	0.194	S	C	.	.	H	α-helix	trans	-67.7	-43.4	178.2	0	0	0	0	0	113.1	M215 R216 H222	M215-G218 PolarHBondContact O-N 3.13Å; R216-G218 VanDerWaalsContact C-N 3.31Å; R216-G218 PolarHBondContact O-N 2.57Å; G218-H222 VanDerWaalsContact O-CB 3.25Å; G218-H222 WeakPolarHBondContact O-CB 3.23Å; G218-H222 PolarHBondContact O-N 3Å
219	L	75.9	Confident	81.6	Confident	27 Å²	27	34.4 Å²	34.4	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-44.8	178.8	-80.3	165.5	0	0	0	113.1	I86 L89 M215 R216 T223 W531	I86-L219 HydrophobicContact CG2-CD1 3.73Å; I86-L219 HydrophobicContact CG2-CD2 3.55Å; I86-L219 HydrophobicContact CG2-CG 4.31Å; L89-L219 HydrophobicContact CB-CD1 4.46Å; L89-L219 HydrophobicContact CD1-CD1 3.78Å; M215-L219 HydrophobicContact CB-CD1 4.16Å; M215-L219 WeakPolarHBondContact O-CB 3.35Å; M215-L219 WeakPolarHBondContact O-CD1 3.32Å; M215-L219 VanDerWaalsContact O-CG 3.28Å; M215-L219 WeakPolarHBondContact O-CG 3.22Å; M215-L219 PolarHBondContact O-N 3.03Å; R216-L219 PolarHBondContact O-N 3.28Å; L219-T223 WeakPolarHBondContact O-CB 3.39Å; L219-T223 PolarHBondContact O-N 3.24Å; L219-T223 PolarHBondContact O-OG1 2.87Å; L219-W531 HydrophobicContact CD1-CZ2 4.39Å; L219-W531 HydrophobicContact CD2-CH2 3.37Å; L219-W531 HydrophobicContact CD2-CZ2 3.66Å; L219-W531 HydrophobicContact CD2-CZ3 4.23Å; L219-W531 HydrophobicContact CG-CH2 4.03Å; L219-W531 HydrophobicContact CG-CZ2 3.81Å
220	I	77.8	Confident	81.7	Confident	52 Å²	52	38.4 Å²	38.4	27%	0.267	19%	0.193	S	C	.	.	H	α-helix	trans	-62.3	-51.2	178.6	-69.8	174.9	0	0	0	109.3	R216 H222 T223 E224	R216-I220 HydrophobicContact CG-CD1 3.5Å; R216-I220 HydrophobicContact CG-CG1 4.17Å; R216-I220 WeakPolarHBondContact O-CB 3.15Å; R216-I220 VanDerWaalsContact O-CG1 3.29Å; R216-I220 WeakPolarHBondContact O-CG1 3.44Å; R216-I220 PolarHBondContact O-N 3.1Å; I220-H222 VanDerWaalsContact C-N 3.34Å; I220-H222 PolarHBondContact O-N 2.91Å; I220-T223 PolarHBondContact O-N 3.32Å; I220-E224 HydrophobicContact CG2-CG 4.33Å; I220-E224 WeakPolarHBondContact O-CG 3.48Å; I220-E224 PolarHBondContact O-N 2.91Å
221	K	78.6	Confident	81.7	Confident	69 Å²	69	41.9 Å²	41.9	30%	0.3	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-45.2	179.8	-170.3	-179.9	-175.8	-174.8	0	111.9	T217 E224 Y225	T217-K221 VanDerWaalsContact O-CB 3.31Å; T217-K221 WeakPolarHBondContact O-CB 3.29Å; T217-K221 PolarHBondContact O-N 3.14Å; T217-K221 VanDerWaalsContact O-N 3.16Å; K221-E224 PolarHBondContact O-N 3.36Å; K221-Y225 HydrophobicContact CD-CE2 4.17Å; K221-Y225 VanDerWaalsContact CE-CZ 3.48Å; K221-Y225 WeakPolarHBondContact CE-OH 3.25Å; K221-Y225 HydrophobicContact CG-CD2 4.26Å; K221-Y225 HydrophobicContact CG-CE1 4.2Å; K221-Y225 HydrophobicContact CG-CE2 3.72Å; K221-Y225 WeakPolarHBondContact O-CB 3.36Å; K221-Y225 VanDerWaalsContact O-CG 3.28Å; K221-Y225 PolarHBondContact O-N 2.93Å
222	H	81.5	Confident	81.8	Confident	37 Å²	37	40.9 Å²	40.9	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-44.6	177	-171.5	-87.1	0	0	0	112	G218 I220 Y225 M226 S244 D248	G218-H222 VanDerWaalsContact O-CB 3.25Å; G218-H222 WeakPolarHBondContact O-CB 3.23Å; G218-H222 PolarHBondContact O-N 3Å; I220-H222 VanDerWaalsContact C-N 3.34Å; I220-H222 PolarHBondContact O-N 2.91Å; H222-Y225 PolarHBondContact O-N 2.84Å; H222-M226 WeakPolarHBondContact O-CB 3.29Å; H222-M226 WeakPolarHBondContact O-CG 2.94Å; H222-M226 PolarHBondContact O-N 2.89Å; H222-S244 PolarHBondContact CE1-OG 2.92Å; H222-S244 VanDerWaalsContact CE1-OG 3.32Å; H222-S244 PolarHBondContact NE2-O 3.35Å; H222-S244 VanDerWaalsContact NE2-O 3.14Å; H222-S244 PolarHBondContact NE2-OG 3.39Å; H222-D248 IonicContact CD2-OD1 3.14Å; H222-D248 PolarHBondContact CD2-OD1 2.88Å; H222-D248 IonicContact NE2-OD1 3.38Å; H222-D248 PolarHBondContact NE2-OD1 3.14Å
223	T	83.6	Confident	81.6	Confident	69 Å²	69	45.3 Å²	45.3	42%	0.423	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-45.4	177.6	-55.7	0	0	0	0	111.3	L219 I220 Y225 M226 E227	L219-T223 WeakPolarHBondContact O-CB 3.39Å; L219-T223 PolarHBondContact O-N 3.24Å; L219-T223 PolarHBondContact O-OG1 2.87Å; I220-T223 PolarHBondContact O-N 3.32Å; T223-Y225 VanDerWaalsContact C-N 3.33Å; T223-Y225 PolarHBondContact O-N 3.14Å; T223-M226 PolarHBondContact O-N 3.14Å; T223-E227 HydrophobicContact CG2-CG 4.48Å; T223-E227 WeakPolarHBondContact O-CB 3.03Å; T223-E227 WeakPolarHBondContact O-CG 3.33Å; T223-E227 PolarHBondContact O-N 2.85Å
224	E	85.6	Confident	81.1	Confident	114 Å²	114	49.1 Å²	49.1	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-42.5	176.7	-73.4	178.8	170.5	0	0	111.7	I220 K221 F228	I220-E224 HydrophobicContact CG2-CG 4.33Å; I220-E224 WeakPolarHBondContact O-CG 3.48Å; I220-E224 PolarHBondContact O-N 2.91Å; K221-E224 PolarHBondContact O-N 3.36Å; E224-F228 WeakPolarHBondContact O-CB 3.42Å; E224-F228 PolarHBondContact O-N 3.31Å
225	Y	88.8	Confident	81.1	Confident	9 Å²	9	49.1 Å²	49.1	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-40.9	177.1	-68.2	-4.7	0	0	0	111.9	K221 H222 T223 F228 L229 L250 E252 L327	K221-Y225 HydrophobicContact CD-CE2 4.17Å; K221-Y225 VanDerWaalsContact CE-CZ 3.48Å; K221-Y225 WeakPolarHBondContact CE-OH 3.25Å; K221-Y225 HydrophobicContact CG-CD2 4.26Å; K221-Y225 HydrophobicContact CG-CE1 4.2Å; K221-Y225 HydrophobicContact CG-CE2 3.72Å; K221-Y225 WeakPolarHBondContact O-CB 3.36Å; K221-Y225 VanDerWaalsContact O-CG 3.28Å; K221-Y225 PolarHBondContact O-N 2.93Å; H222-Y225 PolarHBondContact O-N 2.84Å; T223-Y225 VanDerWaalsContact C-N 3.33Å; T223-Y225 PolarHBondContact O-N 3.14Å; Y225-F228 PolarHBondContact O-N 2.8Å; Y225-L229 WeakPolarHBondContact O-CB 3.26Å; Y225-L229 WeakPolarHBondContact O-CG 3.34Å; Y225-L229 PolarHBondContact O-N 3.37Å; Y225-L250 HydrophobicContact CD2-CB 4.05Å; Y225-L250 HydrophobicContact CE2-CB 4.14Å; Y225-E252 WeakPolarHBondContact OH-CB 3.25Å; Y225-E252 PolarHBondContact OH-OE2 2.78Å; Y225-L327 HydrophobicContact CD1-CD1 3.91Å; Y225-L327 HydrophobicContact CD1-CD2 4.18Å; Y225-L327 HydrophobicContact CE1-CD1 4.1Å; Y225-L327 HydrophobicContact CE1-CD2 3.5Å; Y225-L327 VanDerWaalsContact CE1-CD2 3.5Å; Y225-L327 HydrophobicContact CE1-CG 4.47Å; Y225-L327 HydrophobicContact CE2-CD2 4.25Å; Y225-L327 HydrophobicContact CG-CD1 4.31Å
226	M	87.1	Confident	81.3	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-49	174.8	-77.9	-70.5	-77.1	0	0	112	H222 T223 F228 L229 K230 E240 L243 S244 A247	H222-M226 WeakPolarHBondContact O-CB 3.29Å; H222-M226 WeakPolarHBondContact O-CG 2.94Å; H222-M226 PolarHBondContact O-N 2.89Å; T223-M226 PolarHBondContact O-N 3.14Å; M226-F228 VanDerWaalsContact C-N 3.34Å; M226-L229 PolarHBondContact O-N 3.14Å; M226-K230 WeakPolarHBondContact O-CB 3.22Å; M226-K230 VanDerWaalsContact O-CG 3.27Å; M226-K230 WeakPolarHBondContact O-CG 3.35Å; M226-K230 PolarHBondContact O-N 3.24Å; M226-E240 HydrophobicContact CE-CG 3.88Å; M226-L243 HydrophobicContact CE-CB 3.98Å; M226-L243 HydrophobicContact SD-CB 3.65Å; M226-S244 WeakPolarHBondContact SD-CA 3.49Å; M226-S244 PolarHBondContact SD-N 2.87Å; M226-A247 HydrophobicContact CG-CB 4Å; M226-A247 HydrophobicContact SD-CB 4.18Å
227	E	88	Confident	81.2	Confident	134 Å²	134	57 Å²	57	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-41.6	177.2	-72.7	-175.2	170.7	0	0	111.6	T223 K230 S231	T223-E227 HydrophobicContact CG2-CG 4.48Å; T223-E227 WeakPolarHBondContact O-CB 3.03Å; T223-E227 WeakPolarHBondContact O-CG 3.33Å; T223-E227 PolarHBondContact O-N 2.85Å; E227-K230 PolarHBondContact O-N 2.91Å; E227-S231 PolarHBondContact O-N 2.89Å
228	F	89.4	Confident	81.6	Confident	20 Å²	20	57.9 Å²	57.9	9%	0.088	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-48.3	176.4	177	-113.2	0	0	0	111.7	E224 Y225 M226 K230 S231 V232 I273 I274 K299 L327	E224-F228 WeakPolarHBondContact O-CB 3.42Å; E224-F228 PolarHBondContact O-N 3.31Å; Y225-F228 PolarHBondContact O-N 2.8Å; M226-F228 VanDerWaalsContact C-N 3.34Å; F228-K230 VanDerWaalsContact C-N 3.33Å; F228-K230 PolarHBondContact O-N 2.63Å; F228-S231 WeakPolarHBondContact O-CA 3.44Å; F228-S231 WeakPolarHBondContact O-CB 3.49Å; F228-S231 PolarHBondContact O-N 2.95Å; F228-S231 PolarHBondContact O-OG 3.41Å; F228-V232 HydrophobicContact CE1-CG2 4.31Å; F228-V232 HydrophobicContact CE2-CG2 4.22Å; F228-V232 HydrophobicContact CZ-CG2 4.02Å; F228-V232 WeakPolarHBondContact O-CG2 3.5Å; F228-V232 PolarHBondContact O-N 3.45Å; F228-I273 HydrophobicContact CE1-CB 4.46Å; F228-I273 HydrophobicContact CE1-CG2 3.58Å; F228-I273 HydrophobicContact CZ-CG2 3.88Å; F228-I274 VanDerWaalsContact CZ-O 3.28Å; F228-I274 WeakPolarHBondContact CZ-O 3.42Å; F228-K299 HydrophobicContact CE2-CG 4.06Å; F228-L327 HydrophobicContact CD1-CD1 3.62Å; F228-L327 HydrophobicContact CE1-CD1 3.82Å
229	L	86.6	Confident	82.1	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-41	177	-70.8	171.8	0	0	0	111.8	Y225 M226 S231 V232 F235 L243 L246 A247 L250 I273	Y225-L229 WeakPolarHBondContact O-CB 3.26Å; Y225-L229 WeakPolarHBondContact O-CG 3.34Å; Y225-L229 PolarHBondContact O-N 3.37Å; M226-L229 PolarHBondContact O-N 3.14Å; L229-S231 PolarHBondContact O-N 2.97Å; L229-V232 PolarHBondContact O-N 2.86Å; L229-V232 VanDerWaalsContact O-N 3.1Å; L229-F235 HydrophobicContact CB-CB 4.49Å; L229-F235 HydrophobicContact CD2-CD2 3.9Å; L229-F235 HydrophobicContact CD2-CE2 4.41Å; L229-F235 HydrophobicContact CD2-CG 4.21Å; L229-L243 HydrophobicContact CB-CD2 3.91Å; L229-L243 HydrophobicContact CD1-CD2 4.32Å; L229-L246 HydrophobicContact CD1-CB 3.91Å; L229-A247 HydrophobicContact CD1-CB 4.47Å; L229-L250 HydrophobicContact CD1-CD1 3.91Å; L229-L250 HydrophobicContact CD2-CD1 4.12Å; L229-L250 HydrophobicContact CG-CD1 4.24Å; L229-I273 HydrophobicContact CD2-CD1 3.93Å
230	K	87.4	Confident	82.3	Confident	92 Å²	92	66.6 Å²	66.6	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-27.1	173.3	-74.1	175.9	179.9	178.7	0	112.5	M226 E227 F228 H236 E240 L243	M226-K230 WeakPolarHBondContact O-CB 3.22Å; M226-K230 VanDerWaalsContact O-CG 3.27Å; M226-K230 WeakPolarHBondContact O-CG 3.35Å; M226-K230 PolarHBondContact O-N 3.24Å; E227-K230 PolarHBondContact O-N 2.91Å; F228-K230 VanDerWaalsContact C-N 3.33Å; F228-K230 PolarHBondContact O-N 2.63Å; K230-H236 VanDerWaalsContact O-CB 3.27Å; K230-H236 WeakPolarHBondContact O-CB 3.35Å; K230-E240 IonicContact NZ-OE1 3.44Å; K230-E240 PolarHBondContact NZ-OE1 2.93Å; K230-L243 HydrophobicContact CG-CD1 3.79Å
231	S	85.9	Confident	82.2	Confident	78 Å²	78	66.2 Å²	66.2	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-79.6	-17.5	175.8	81.4	0	0	0	0	114	E227 F228 L229	E227-S231 PolarHBondContact O-N 2.89Å; F228-S231 WeakPolarHBondContact O-CA 3.44Å; F228-S231 WeakPolarHBondContact O-CB 3.49Å; F228-S231 PolarHBondContact O-N 2.95Å; F228-S231 PolarHBondContact O-OG 3.41Å; L229-S231 PolarHBondContact O-N 2.97Å
232	V	80.5	Confident	82.2	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	34%	0.337	C	S	.	.	S	Bend	trans	-86.9	120.2	-178.9	176	0	0	0	0	109.9	F228 L229 T234 F235 H236 G300	F228-V232 HydrophobicContact CE1-CG2 4.31Å; F228-V232 HydrophobicContact CE2-CG2 4.22Å; F228-V232 HydrophobicContact CZ-CG2 4.02Å; F228-V232 WeakPolarHBondContact O-CG2 3.5Å; F228-V232 PolarHBondContact O-N 3.45Å; L229-V232 PolarHBondContact O-N 2.86Å; L229-V232 VanDerWaalsContact O-N 3.1Å; V232-T234 PolarHBondContact O-N 2.92Å; V232-F235 HydrophobicContact CB-CD2 3.84Å; V232-F235 HydrophobicContact CG1-CD2 3.51Å; V232-F235 HydrophobicContact CG1-CE2 3.93Å; V232-F235 PolarHBondContact O-N 3.28Å; V232-H236 PolarHBondContact O-N 2.88Å; V232-G300 WeakPolarHBondContact CG1-O 3.09Å
233	P	74.9	Confident	82.3	Confident	100 Å²	100	63.3 Å²	63.3	65%	0.649	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.8	-175	-28.6	35.2	0	0	0	114.9	F235 H236	P233-F235 VanDerWaalsContact C-N 3.34Å; P233-H236 PolarHBondContact O-CE1 2.85Å; P233-H236 PolarHBondContact O-ND1 2.85Å
234	T	73.1	Confident	82.3	Confident	80 Å²	80	60.2 Å²	60.2	49%	0.491	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.7	178.3	-51	0	0	0	0	113.4	V232 W302	V232-T234 PolarHBondContact O-N 2.92Å; T234-W302 HydrophobicContact CG2-CZ2 4.3Å; T234-W302 PolarHBondContact OG1-NE1 3.45Å
235	F	79.4	Confident	82.1	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.031	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-15.4	-173.4	-56.5	-64.2	0	0	0	113.3	L229 V232 P233 D237 L238 L243 F271 I273 I338	L229-F235 HydrophobicContact CB-CB 4.49Å; L229-F235 HydrophobicContact CD2-CD2 3.9Å; L229-F235 HydrophobicContact CD2-CE2 4.41Å; L229-F235 HydrophobicContact CD2-CG 4.21Å; V232-F235 HydrophobicContact CB-CD2 3.84Å; V232-F235 HydrophobicContact CG1-CD2 3.51Å; V232-F235 HydrophobicContact CG1-CE2 3.93Å; V232-F235 PolarHBondContact O-N 3.28Å; P233-F235 VanDerWaalsContact C-N 3.34Å; F235-D237 PolarHBondContact O-N 3.07Å; F235-D237 VanDerWaalsContact O-N 3.16Å; F235-L238 HydrophobicContact CB-CD1 4.26Å; F235-L238 HydrophobicContact CD1-CD1 3.85Å; F235-L238 WeakPolarHBondContact O-CB 3.34Å; F235-L238 WeakPolarHBondContact O-CG 3.21Å; F235-L238 PolarHBondContact O-N 3.29Å; F235-L243 HydrophobicContact CB-CD2 4.15Å; F235-F271 AromaticContact CZ-CE1 3.95Å; F235-F271 HydrophobicContact CZ-CE1 3.95Å; F235-F271 HydrophobicContact CZ-CZ 4.07Å; F235-I273 HydrophobicContact CD2-CD1 4.47Å; F235-I273 HydrophobicContact CE2-CD1 3.66Å; F235-I273 HydrophobicContact CE2-CG1 4.25Å; F235-I273 HydrophobicContact CZ-CD1 3.99Å; F235-I338 HydrophobicContact CD1-CD1 4.48Å; F235-I338 HydrophobicContact CE1-CD1 4Å
236	H	79.8	Confident	81.7	Confident	98 Å²	98	56.5 Å²	56.5	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.4	-173	85.5	-66.4	0	0	0	115.2	K230 V232 P233 L238	K230-H236 VanDerWaalsContact O-CB 3.27Å; K230-H236 WeakPolarHBondContact O-CB 3.35Å; V232-H236 PolarHBondContact O-N 2.88Å; P233-H236 PolarHBondContact O-CE1 2.85Å; P233-H236 PolarHBondContact O-ND1 2.85Å; H236-L238 VanDerWaalsContact C-N 3.34Å
237	D	77.4	Confident	81.7	Confident	133 Å²	133	56 Å²	56	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.2	179.3	-71.9	-41.9	0	0	0	113.5	F235	F235-D237 PolarHBondContact O-N 3.07Å; F235-D237 VanDerWaalsContact O-N 3.16Å
238	L	80.6	Confident	81.3	Confident	40 Å²	40	52 Å²	52	21%	0.209	27%	0.274	C	S	.	.	S	Bend	trans	-71.3	147.2	178.7	-64.7	179	0	0	0	111.1	F235 H236 I242 L243 L246	F235-L238 HydrophobicContact CB-CD1 4.26Å; F235-L238 HydrophobicContact CD1-CD1 3.85Å; F235-L238 WeakPolarHBondContact O-CB 3.34Å; F235-L238 WeakPolarHBondContact O-CG 3.21Å; F235-L238 PolarHBondContact O-N 3.29Å; H236-L238 VanDerWaalsContact C-N 3.34Å; L238-I242 HydrophobicContact CB-CG2 4.49Å; L238-I242 HydrophobicContact CD1-CG2 4.15Å; L238-L243 HydrophobicContact CB-CD2 3.98Å; L238-L243 HydrophobicContact CB-CG 3.95Å; L238-L243 HydrophobicContact CD1-CD2 4.23Å; L238-L246 HydrophobicContact CD1-CD1 3.88Å
239	Q	81.5	Confident	80.9	Confident	133 Å²	133	51.6 Å²	51.6	62%	0.621	27%	0.274	S	S	*	.			trans	-61.7	148.9	174.9	-64.8	-173	-38.9	0	0	111	D241 I242 L243	Q239-D241 WeakPolarHBondContact CB-OD1 3.36Å; Q239-D241 PolarHBondContact O-N 3.03Å; Q239-I242 HydrophobicContact CB-CD1 4.29Å; Q239-I242 HydrophobicContact CB-CG1 4.36Å; Q239-I242 WeakPolarHBondContact O-CB 3.36Å; Q239-I242 PolarHBondContact O-N 2.97Å; Q239-L243 PolarHBondContact O-N 3.23Å
240	E	80.5	Confident	80.8	Confident	112 Å²	112	52 Å²	52	52%	0.523	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-31.2	-173.6	-174.8	157	-127.8	0	0	113.3	M226 K230 S244	M226-E240 HydrophobicContact CE-CG 3.88Å; K230-E240 IonicContact NZ-OE1 3.44Å; K230-E240 PolarHBondContact NZ-OE1 2.93Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.29Å
241	D	76.2	Confident	80.7	Confident	44 Å²	44	54.1 Å²	54.1	24%	0.235	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-38.6	174.4	66.9	-49.7	0	0	0	112.3	Q239 S244 K245	Q239-D241 WeakPolarHBondContact CB-OD1 3.36Å; Q239-D241 PolarHBondContact O-N 3.03Å; D241-S244 PolarHBondContact O-N 3.03Å; D241-K245 VanDerWaalsContact O-CG 3.3Å; D241-K245 WeakPolarHBondContact O-CG 3.34Å; D241-K245 PolarHBondContact O-N 3.1Å
242	I	79.4	Confident	80.8	Confident	42 Å²	42	54 Å²	54	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-45.4	175.5	-58.6	176.3	0	0	0	109.8	L238 Q239 S244 K245 L246	L238-I242 HydrophobicContact CB-CG2 4.49Å; L238-I242 HydrophobicContact CD1-CG2 4.15Å; Q239-I242 HydrophobicContact CB-CD1 4.29Å; Q239-I242 HydrophobicContact CB-CG1 4.36Å; Q239-I242 WeakPolarHBondContact O-CB 3.36Å; Q239-I242 PolarHBondContact O-N 2.97Å; I242-S244 VanDerWaalsContact C-N 3.31Å; I242-S244 PolarHBondContact O-N 2.9Å; I242-K245 PolarHBondContact O-N 2.79Å; I242-L246 HydrophobicContact CG2-CD1 4.12Å; I242-L246 WeakPolarHBondContact O-CG 3.48Å; I242-L246 PolarHBondContact O-N 2.71Å
243	L	83.4	Confident	81.3	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-42.9	175.6	-70.7	176.4	0	0	0	111.5	M226 L229 K230 F235 L238 Q239 K245 L246 A247	M226-L243 HydrophobicContact CE-CB 3.98Å; M226-L243 HydrophobicContact SD-CB 3.65Å; L229-L243 HydrophobicContact CB-CD2 3.91Å; L229-L243 HydrophobicContact CD1-CD2 4.32Å; K230-L243 HydrophobicContact CG-CD1 3.79Å; F235-L243 HydrophobicContact CB-CD2 4.15Å; L238-L243 HydrophobicContact CB-CD2 3.98Å; L238-L243 HydrophobicContact CB-CG 3.95Å; L238-L243 HydrophobicContact CD1-CD2 4.23Å; Q239-L243 PolarHBondContact O-N 3.23Å; L243-K245 VanDerWaalsContact C-N 3.35Å; L243-K245 PolarHBondContact O-N 3.11Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.23Å; L243-A247 WeakPolarHBondContact O-CB 3.27Å; L243-A247 PolarHBondContact O-N 2.89Å
244	S	83.1	Confident	82.2	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-43.6	176.9	-179.4	0	0	0	0	111.8	H222 M226 E240 D241 I242 L246 A247 D248 G527	H222-S244 PolarHBondContact CE1-OG 2.92Å; H222-S244 VanDerWaalsContact CE1-OG 3.32Å; H222-S244 PolarHBondContact NE2-O 3.35Å; H222-S244 VanDerWaalsContact NE2-O 3.14Å; H222-S244 PolarHBondContact NE2-OG 3.39Å; M226-S244 WeakPolarHBondContact SD-CA 3.49Å; M226-S244 PolarHBondContact SD-N 2.87Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.29Å; D241-S244 PolarHBondContact O-N 3.03Å; I242-S244 VanDerWaalsContact C-N 3.31Å; I242-S244 PolarHBondContact O-N 2.9Å; S244-L246 VanDerWaalsContact C-N 3.32Å; S244-L246 PolarHBondContact O-N 2.91Å; S244-A247 PolarHBondContact O-N 3.28Å; S244-D248 VanDerWaalsContact O-CG 3.29Å; S244-D248 PolarHBondContact O-N 2.78Å; S244-D248 VanDerWaalsContact O-N 3.08Å; S244-G527 PolarHBondContact OG-O 3.05Å
245	K	81.3	Confident	83.2	Confident	39 Å²	39	54.9 Å²	54.9	17%	0.17	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-35.5	176.9	-72.1	174.3	-177.7	-169.7	0	112.5	D241 I242 L243 D248 V249 L337 C615 N620	D241-K245 VanDerWaalsContact O-CG 3.3Å; D241-K245 WeakPolarHBondContact O-CG 3.34Å; D241-K245 PolarHBondContact O-N 3.1Å; I242-K245 PolarHBondContact O-N 2.79Å; L243-K245 VanDerWaalsContact C-N 3.35Å; L243-K245 PolarHBondContact O-N 3.11Å; K245-D248 PolarHBondContact O-N 3.01Å; K245-V249 PolarHBondContact O-N 3.04Å; K245-L337 HydrophobicContact CB-CD2 3.82Å; K245-L337 HydrophobicContact CD-CD2 4.01Å; K245-L337 HydrophobicContact CG-CD2 4.5Å; K245-C615 PolarHBondContact O-SG 3.46Å; K245-N620 VanDerWaalsContact CE-OD1 3.23Å; K245-N620 WeakPolarHBondContact CE-OD1 3.48Å; K245-N620 PolarHBondContact NZ-O 3.12Å; K245-N620 PolarHBondContact NZ-OD1 2.97Å; K245-N620 VanDerWaalsContact NZ-OD1 3.13Å
246	L	81.1	Confident	84	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-47.9	173.7	-72.3	165.3	0	0	0	110.7	L229 L238 I242 L243 S244 D248 V249 L250 I329 L337 I338	L229-L246 HydrophobicContact CD1-CB 3.91Å; L238-L246 HydrophobicContact CD1-CD1 3.88Å; I242-L246 HydrophobicContact CG2-CD1 4.12Å; I242-L246 WeakPolarHBondContact O-CG 3.48Å; I242-L246 PolarHBondContact O-N 2.71Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.23Å; S244-L246 VanDerWaalsContact C-N 3.32Å; S244-L246 PolarHBondContact O-N 2.91Å; L246-D248 PolarHBondContact O-N 3.48Å; L246-V249 VanDerWaalsContact O-CG2 3.25Å; L246-V249 WeakPolarHBondContact O-CG2 3.44Å; L246-V249 PolarHBondContact O-N 3.41Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.24Å; L246-L250 VanDerWaalsContact O-N 3.14Å; L246-I329 HydrophobicContact CD2-CD1 3.81Å; L246-L337 HydrophobicContact CD2-CB 4.09Å; L246-L337 HydrophobicContact CD2-CD1 3.78Å; L246-L337 HydrophobicContact CG-CD1 4.36Å; L246-I338 HydrophobicContact CD1-CD1 3.73Å; L246-I338 HydrophobicContact CD1-CG1 4.12Å; L246-I338 HydrophobicContact CD2-CD1 3.51Å; L246-I338 HydrophobicContact CD2-CG1 4.08Å; L246-I338 HydrophobicContact CG-CD1 4.23Å
247	A	85.7	Confident	84.8	Confident	6 Å²	6	63.2 Å²	63.2	5%	0.05	31%	0.308	C	S	.	.	H	α-helix	trans	-56.7	-33.6	176.6	0	0	0	0	0	112.6	M226 L229 L243 S244	M226-A247 HydrophobicContact CG-CB 4Å; M226-A247 HydrophobicContact SD-CB 4.18Å; L229-A247 HydrophobicContact CD1-CB 4.47Å; L243-A247 WeakPolarHBondContact O-CB 3.27Å; L243-A247 PolarHBondContact O-N 2.89Å; S244-A247 PolarHBondContact O-N 3.28Å
248	D	79.5	Confident	85.4	Confident	51 Å²	51	59 Å²	59	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-70	-26.3	176.9	-71.3	-32.2	0	0	0	114.6	H222 S244 K245 L246 K529	H222-D248 IonicContact CD2-OD1 3.14Å; H222-D248 PolarHBondContact CD2-OD1 2.88Å; H222-D248 IonicContact NE2-OD1 3.38Å; H222-D248 PolarHBondContact NE2-OD1 3.14Å; S244-D248 VanDerWaalsContact O-CG 3.29Å; S244-D248 PolarHBondContact O-N 2.78Å; S244-D248 VanDerWaalsContact O-N 3.08Å; K245-D248 PolarHBondContact O-N 3.01Å; L246-D248 PolarHBondContact O-N 3.48Å; D248-K529 VanDerWaalsContact CG-CE 3.42Å; D248-K529 VanDerWaalsContact CG-NZ 3.31Å; D248-K529 WeakPolarHBondContact OD1-CE 3.36Å; D248-K529 IonicContact OD1-NZ 2.6Å; D248-K529 PolarHBondContact OD1-NZ 3.26Å; D248-K529 WeakPolarHBondContact OD2-CE 3.24Å; D248-K529 IonicContact OD2-NZ 2.71Å; D248-K529 PolarHBondContact OD2-NZ 3.38Å
249	V	81.1	Confident	86.1	Confident	12 Å²	12	61.6 Å²	61.6	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-102.5	-7.6	-177.6	-60.6	0	0	0	0	114.1	K245 L246 E251 I329 L337 C615	K245-V249 PolarHBondContact O-N 3.04Å; L246-V249 VanDerWaalsContact O-CG2 3.25Å; L246-V249 WeakPolarHBondContact O-CG2 3.44Å; L246-V249 PolarHBondContact O-N 3.41Å; V249-E251 PolarHBondContact O-N 3.16Å; V249-I329 HydrophobicContact CG2-CD1 3.49Å; V249-I329 VanDerWaalsContact CG2-CD1 3.49Å; V249-I329 HydrophobicContact CG2-CG1 3.89Å; V249-L337 HydrophobicContact CG1-CD1 4.4Å; V249-L337 HydrophobicContact CG2-CD1 3.77Å; V249-C615 HydrophobicContact CG1-CB 3.16Å
250	L	85.9	Confident	86.6	Confident	10 Å²	10	59 Å²	59	5%	0.052	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-73.1	123.1	-179.4	-74.7	167	0	0	0	110.6	Y225 L229 L246 I273 L327 I329	Y225-L250 HydrophobicContact CD2-CB 4.05Å; Y225-L250 HydrophobicContact CE2-CB 4.14Å; L229-L250 HydrophobicContact CD1-CD1 3.91Å; L229-L250 HydrophobicContact CD2-CD1 4.12Å; L229-L250 HydrophobicContact CG-CD1 4.24Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.24Å; L246-L250 VanDerWaalsContact O-N 3.14Å; L250-I273 HydrophobicContact CD2-CD1 4.2Å; L250-L327 HydrophobicContact CB-CB 4.29Å; L250-L327 HydrophobicContact CD1-CB 4.39Å; L250-L327 HydrophobicContact CD1-CD1 4.05Å; L250-L327 HydrophobicContact CD2-CB 3.83Å; L250-L327 HydrophobicContact CG-CB 4.37Å; L250-I329 HydrophobicContact CD2-CB 4.2Å
251	E	85.4	Confident	87.2	Confident	136 Å²	136	54.6 Å²	54.6	64%	0.636	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.9	172.2	-65.1	-171.4	166.4	0	0	110.6	V249 L327 V328	V249-E251 PolarHBondContact O-N 3.16Å; E251-L327 CarbonylContact O-C 3.57Å; E251-L327 VanDerWaalsContact O-CA 3.3Å; E251-L327 WeakPolarHBondContact O-CA 3.47Å; E251-V328 PolarHBondContact N-O 3.49Å; E251-V328 PolarHBondContact O-N 3.22Å
252	E	87.8	Confident	87.8	Confident	75 Å²	75	53 Å²	53	35%	0.35	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.6	178.8	-166.4	169.8	97.5	0	0	111	Y225 H254 T325 C326 L327	Y225-E252 WeakPolarHBondContact OH-CB 3.25Å; Y225-E252 PolarHBondContact OH-OE2 2.78Å; E252-H254 IonicContact OE1-CE1 3.98Å; E252-H254 PolarHBondContact OE1-CE1 3.21Å; E252-H254 IonicContact OE1-NE2 2.61Å; E252-H254 PolarHBondContact OE1-NE2 3.42Å; E252-T325 HydrophobicContact CG-CG2 3.36Å; E252-C326 WeakPolarHBondContact CA-O 3.48Å; E252-L327 HydrophobicContact CB-CD2 4.27Å; E252-L327 HydrophobicContact CG-CD2 4.24Å
253	T	91.1	Very high	88.3	Confident	37 Å²	37	57.6 Å²	57.6	23%	0.227	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.4	174.3	60.5	0	0	0	0	111.1	Y255 T325 C326 V328	T253-Y255 WeakPolarHBondContact OG1-CE2 3.38Å; T253-Y255 PolarHBondContact OG1-OH 2.88Å; T253-T325 WeakPolarHBondContact O-CA 3.33Å; T253-C326 PolarHBondContact N-O 3.04Å; T253-C326 PolarHBondContact O-N 3.44Å; T253-V328 HydrophobicContact CG2-CG2 3.69Å; T253-V328 VanDerWaalsContact OG1-CG2 3.23Å; T253-V328 WeakPolarHBondContact OG1-CG2 3.38Å
254	H	93.5	Very high	88.4	Confident	120 Å²	120	60.4 Å²	60.4	56%	0.556	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.9	-175	-62	75.4	0	0	0	109.3	E252 V324	E252-H254 IonicContact OE1-CE1 3.98Å; E252-H254 PolarHBondContact OE1-CE1 3.21Å; E252-H254 IonicContact OE1-NE2 2.61Å; E252-H254 PolarHBondContact OE1-NE2 3.42Å; H254-V324 WeakPolarHBondContact CA-O 3.28Å
255	Y	94.4	Very high	88.3	Confident	44 Å²	44	62.6 Å²	62.6	17%	0.173	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.9	-179.8	-58.4	-81.1	0	0	0	110.4	T253 E259 I261 A323 V324 C326	T253-Y255 WeakPolarHBondContact OG1-CE2 3.38Å; T253-Y255 PolarHBondContact OG1-OH 2.88Å; Y255-E259 VanDerWaalsContact CA-OE2 3.3Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.27Å; Y255-I261 HydrophobicContact CD1-CG1 3.93Å; Y255-I261 HydrophobicContact CD2-CD1 3.8Å; Y255-I261 HydrophobicContact CD2-CG1 3.77Å; Y255-I261 HydrophobicContact CD2-CG2 4.41Å; Y255-I261 HydrophobicContact CE1-CB 4.43Å; Y255-I261 HydrophobicContact CE1-CG1 4.18Å; Y255-I261 HydrophobicContact CE1-CG2 4.24Å; Y255-I261 HydrophobicContact CE2-CB 4.46Å; Y255-I261 HydrophobicContact CE2-CD1 4.2Å; Y255-I261 HydrophobicContact CE2-CG1 4.03Å; Y255-I261 HydrophobicContact CE2-CG2 3.79Å; Y255-I261 HydrophobicContact CG-CD1 4.12Å; Y255-I261 HydrophobicContact CG-CG1 3.72Å; Y255-A323 WeakPolarHBondContact O-CA 3.44Å; Y255-V324 PolarHBondContact N-O 2.96Å; Y255-V324 PolarHBondContact O-N 3.08Å; Y255-C326 HydrophobicContact CE2-CB 4.27Å
256	E	95.5	Very high	88.3	Confident	128 Å²	128	62.7 Å²	62.7	60%	0.598	32%	0.323	S	S	*	.			trans	-83.6	161.5	175	-64.5	-63.4	160	0	0	111.4	G258 E259 A320	E256-G258 PolarHBondContact O-N 3.05Å; E256-E259 HydrophobicContact CB-CG 4.16Å; E256-E259 PolarHBondContact N-OE2 2.85Å; E256-E259 WeakPolarHBondContact O-CB 3.28Å; E256-E259 WeakPolarHBondContact O-CG 3.24Å; E256-E259 PolarHBondContact O-N 3.18Å; E256-A320 VanDerWaalsContact O-CB 3.24Å; E256-A320 WeakPolarHBondContact O-CB 3.4Å
257	E	95.4	Very high	88.2	Confident	152 Å²	152	72.4 Å²	72.4	71%	0.71	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.2	178.3	-176.4	-178.6	166.1	0	0	111.6	E259	E257-E259 VanDerWaalsContact C-N 3.34Å
258	G	90.9	Very high	87.4	Confident	46 Å²	46	72.8 Å²	72.8	47%	0.474	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-4.7	-179.6	0	0	0	0	0	114.9	E256 A320	E256-G258 PolarHBondContact O-N 3.05Å; G258-A320 PolarHBondContact N-O 3.46Å
259	E	94.7	Very high	87.2	Confident	93 Å²	93	74.5 Å²	74.5	44%	0.435	37%	0.372	S	S	.	.			trans	-73.3	141.5	176.8	-69.6	-166.9	142.8	0	0	112.6	Y255 E256 E257 I261 I319 A320	Y255-E259 VanDerWaalsContact CA-OE2 3.3Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.27Å; E256-E259 HydrophobicContact CB-CG 4.16Å; E256-E259 PolarHBondContact N-OE2 2.85Å; E256-E259 WeakPolarHBondContact O-CB 3.28Å; E256-E259 WeakPolarHBondContact O-CG 3.24Å; E256-E259 PolarHBondContact O-N 3.18Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E259-I261 PolarHBondContact O-N 3.3Å; E259-I319 CarbonylContact O-C 3.49Å; E259-I319 WeakPolarHBondContact O-CA 3.4Å; E259-I319 WeakPolarHBondContact O-CG2 3.06Å; E259-A320 PolarHBondContact O-N 3.04Å
260	Y	92.4	Very high	87.3	Confident	79 Å²	79	75.7 Å²	75.7	31%	0.31	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.7	175.1	-77	-107.4	0	0	0	109.9	R263 N317 I319	Y260-R263 HydrophobicContact CD1-CG 3.8Å; Y260-R263 HydrophobicContact CG-CG 4.13Å; Y260-R263 VanDerWaalsContact CG-CZ 3.43Å; Y260-R263 VanDerWaalsContact CG-NH1 3.29Å; Y260-N317 HydrophobicContact CD1-CB 4.27Å; Y260-N317 HydrophobicContact CE1-CB 4.06Å; Y260-I319 HydrophobicContact CD1-CD1 4.14Å; Y260-I319 HydrophobicContact CD1-CG1 3.72Å; Y260-I319 HydrophobicContact CD2-CG1 4.4Å; Y260-I319 HydrophobicContact CE1-CD1 3.56Å; Y260-I319 HydrophobicContact CE1-CG1 3.7Å; Y260-I319 HydrophobicContact CE2-CD1 4.17Å; Y260-I319 HydrophobicContact CE2-CG1 4.38Å; Y260-I319 HydrophobicContact CG-CG1 4.1Å
261	I	92.6	Very high	87.2	Confident	19 Å²	19	75.3 Å²	75.3	10%	0.097	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-43.7	172.6	-51.1	178	0	0	0	109.8	Y255 E259 F272 V279 F303 V318 V324	Y255-I261 HydrophobicContact CD1-CG1 3.93Å; Y255-I261 HydrophobicContact CD2-CD1 3.8Å; Y255-I261 HydrophobicContact CD2-CG1 3.77Å; Y255-I261 HydrophobicContact CD2-CG2 4.41Å; Y255-I261 HydrophobicContact CE1-CB 4.43Å; Y255-I261 HydrophobicContact CE1-CG1 4.18Å; Y255-I261 HydrophobicContact CE1-CG2 4.24Å; Y255-I261 HydrophobicContact CE2-CB 4.46Å; Y255-I261 HydrophobicContact CE2-CD1 4.2Å; Y255-I261 HydrophobicContact CE2-CG1 4.03Å; Y255-I261 HydrophobicContact CE2-CG2 3.79Å; Y255-I261 HydrophobicContact CG-CD1 4.12Å; Y255-I261 HydrophobicContact CG-CG1 3.72Å; E259-I261 PolarHBondContact O-N 3.3Å; I261-F272 HydrophobicContact CG2-CD1 4Å; I261-F272 HydrophobicContact CG2-CE1 3.84Å; I261-F272 HydrophobicContact CG2-CG 4.5Å; I261-F272 HydrophobicContact CG2-CZ 4.17Å; I261-V279 HydrophobicContact CD1-CG1 3.51Å; I261-F303 HydrophobicContact CB-CE2 4.48Å; I261-F303 HydrophobicContact CB-CZ 4.41Å; I261-F303 HydrophobicContact CD1-CZ 4.11Å; I261-F303 HydrophobicContact CG2-CE2 3.83Å; I261-F303 HydrophobicContact CG2-CZ 3.83Å; I261-V318 HydrophobicContact CB-CB 4.49Å; I261-V318 HydrophobicContact CB-CG1 4.46Å; I261-V318 HydrophobicContact CD1-CG1 4.42Å; I261-V318 PolarHBondContact N-O 3.5Å; I261-V324 HydrophobicContact CD1-CG1 4.13Å
262	I	89.6	Confident	87.3	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.051	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.3	174	-66.6	-177.1	0	0	0	108.7	F272 F303 R314 A316 N317 V318	I262-F272 HydrophobicContact CD1-CD2 4.07Å; I262-F272 HydrophobicContact CD1-CE2 3.98Å; I262-F272 HydrophobicContact CG1-CE2 4.08Å; I262-F303 HydrophobicContact CD1-CD2 3.55Å; I262-F303 HydrophobicContact CD1-CE2 3.77Å; I262-F303 HydrophobicContact CG1-CD2 4.37Å; I262-F303 HydrophobicContact CG1-CE2 4.12Å; I262-R314 HydrophobicContact CG2-CB 3.62Å; I262-R314 HydrophobicContact CG2-CG 3.56Å; I262-A316 WeakPolarHBondContact CG2-O 3.27Å; I262-N317 CarbonylContact O-C 3.53Å; I262-N317 VanDerWaalsContact O-CA 3.27Å; I262-N317 WeakPolarHBondContact O-CA 3.41Å; I262-V318 HydrophobicContact CB-CB 4.02Å; I262-V318 HydrophobicContact CB-CG2 4.03Å; I262-V318 HydrophobicContact CD1-CG2 4.31Å; I262-V318 HydrophobicContact CG1-CG2 4.48Å; I262-V318 PolarHBondContact N-O 3.34Å; I262-V318 VanDerWaalsContact N-O 3.15Å; I262-V318 PolarHBondContact O-N 2.9Å
263	R	89.1	Confident	87.4	Confident	139 Å²	139	65.9 Å²	65.9	53%	0.525	33%	0.334	S	S	.	.			trans	-107.3	132.1	170	-65.8	-175.7	-178.5	-79.7	-1.3	110.3	Y260 A266 R314 N317	Y260-R263 HydrophobicContact CD1-CG 3.8Å; Y260-R263 HydrophobicContact CG-CG 4.13Å; Y260-R263 VanDerWaalsContact CG-CZ 3.43Å; Y260-R263 VanDerWaalsContact CG-NH1 3.29Å; R263-A266 HydrophobicContact CB-CB 4.18Å; R263-A266 WeakPolarHBondContact O-CB 3.2Å; R263-A266 PolarHBondContact O-N 3.01Å; R263-R314 WeakPolarHBondContact O-CB 3.49Å; R263-N317 WeakPolarHBondContact CA-OD1 3.42Å
264	Q	86.4	Confident	87.4	Confident	62 Å²	62	64.1 Å²	64.1	29%	0.29	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	140.8	172	-178.6	178.1	-30.2	0	0	110.1	A266 E284 R314 N317	Q264-A266 PolarHBondContact O-N 2.59Å; Q264-A266 VanDerWaalsContact O-N 3.15Å; Q264-E284 PolarHBondContact NE2-O 2.73Å; Q264-R314 WeakPolarHBondContact CA-O 3.15Å; Q264-N317 PolarHBondContact N-OD1 3.21Å
265	G	80.3	Confident	87.3	Confident	51 Å²	51	59 Å²	59	53%	0.526	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-14.3	-178.3	0	0	0	0	0	114.4	R314	G265-R314 PolarHBondContact N-O 3.33Å
266	A	82.3	Confident	87.2	Confident	41 Å²	41	63.2 Å²	63.2	34%	0.339	32%	0.32	S	S	.	.			trans	-68.5	148.8	173.4	0	0	0	0	0	110.3	R263 Q264 R314	R263-A266 HydrophobicContact CB-CB 4.18Å; R263-A266 WeakPolarHBondContact O-CB 3.2Å; R263-A266 PolarHBondContact O-N 3.01Å; Q264-A266 PolarHBondContact O-N 2.59Å; Q264-A266 VanDerWaalsContact O-N 3.15Å; A266-R314 VanDerWaalsContact O-CG 3.29Å; A266-R314 WeakPolarHBondContact O-CG 3.48Å; A266-R314 PolarHBondContact O-N 2.93Å
267	R	77.9	Confident	87.2	Confident	209 Å²	209	58 Å²	58	79%	0.789	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-75.7	139.1	166.4	-78.4	-176.2	164.2	-178.1	-6.3	110	D312	R267-D312 WeakPolarHBondContact CA-O 3.47Å
268	G	70.6	Confident	87.1	Confident	14 Å²	14	56.4 Å²	56.4	14%	0.144	29%	0.291	C	S	.	.			trans	-159.6	154.2	174.7	0	0	0	0	0	113	A307 D312 R331	G268-A307 WeakPolarHBondContact O-CB 3.24Å; G268-D312 PolarHBondContact N-O 3.05Å; G268-D312 VanDerWaalsContact N-O 3.09Å; G268-R331 PolarHBondContact O-NH2 3.3Å
269	D	74.8	Confident	87.4	Confident	87 Å²	87	54.2 Å²	54.2	47%	0.465	27%	0.269	S	S	.	.			trans	-134.1	3.6	-177.6	54.3	-1.1	0	0	0	112.1	D330 R331	D269-D330 CarbonylContact O-C 3.19Å; D269-R331 HydrophobicContact CB-CB 3.96Å; D269-R331 WeakPolarHBondContact O-CA 3Å; D269-R331 WeakPolarHBondContact O-CB 3.34Å; D269-R331 PolarHBondContact O-N 2.87Å
270	T	82.4	Confident	87.3	Confident	37 Å²	37	52.4 Å²	52.4	23%	0.227	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	147.5	179.1	49.6	0	0	0	0	113.2	F272 R314 V328 I329	T270-F272 WeakPolarHBondContact OG1-CE2 3.27Å; T270-F272 VanDerWaalsContact OG1-CZ 3.31Å; T270-F272 WeakPolarHBondContact OG1-CZ 3.35Å; T270-R314 VanDerWaalsContact O-CZ 3.3Å; T270-R314 PolarHBondContact O-NH1 2.94Å; T270-R314 PolarHBondContact O-NH2 2.85Å; T270-R314 PolarHBondContact OG1-NH2 3.01Å; T270-V328 HydrophobicContact CG2-CG1 4.02Å; T270-I329 WeakPolarHBondContact CA-O 3.44Å
271	F	84	Confident	87.3	Confident	3 Å²	3	49.2 Å²	49.2	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.2	173.1	176	-92.8	0	0	0	109.3	F235 I273 W302 E305 L308 V328 I329 F334	F235-F271 AromaticContact CZ-CE1 3.95Å; F235-F271 HydrophobicContact CZ-CE1 3.95Å; F235-F271 HydrophobicContact CZ-CZ 4.07Å; F271-I273 HydrophobicContact CD1-CG1 4.1Å; F271-I273 HydrophobicContact CE1-CD1 4Å; F271-I273 HydrophobicContact CE1-CG1 3.51Å; F271-I273 HydrophobicContact CZ-CG1 4.43Å; F271-W302 HydrophobicContact CE1-CB 4.15Å; F271-W302 HydrophobicContact CE2-CB 4.23Å; F271-W302 AromaticContact CE2-CD2 3.88Å; F271-W302 HydrophobicContact CE2-CD2 3.88Å; F271-W302 AromaticContact CE2-CE3 3.36Å; F271-W302 HydrophobicContact CE2-CE3 3.36Å; F271-W302 HydrophobicContact CE2-CG 4.28Å; F271-W302 AromaticContact CE2-CZ3 4Å; F271-W302 HydrophobicContact CE2-CZ3 4Å; F271-W302 HydrophobicContact CZ-CB 3.61Å; F271-W302 AromaticContact CZ-CD2 3.69Å; F271-W302 HydrophobicContact CZ-CD2 3.69Å; F271-W302 AromaticContact CZ-CE3 3.69Å; F271-W302 HydrophobicContact CZ-CE3 3.69Å; F271-W302 AromaticContact CZ-CG 3.69Å; F271-W302 HydrophobicContact CZ-CG 3.69Å; F271-E305 HydrophobicContact CD2-CB 4.42Å; F271-E305 HydrophobicContact CE2-CB 4.23Å; F271-L308 HydrophobicContact CB-CD1 3.8Å; F271-L308 HydrophobicContact CB-CD2 4.43Å; F271-L308 HydrophobicContact CB-CG 4.4Å; F271-L308 HydrophobicContact CD2-CD1 3.62Å; F271-L308 HydrophobicContact CE2-CD1 4.47Å; F271-L308 HydrophobicContact CG-CD1 3.96Å; F271-V328 WeakPolarHBondContact O-CA 3.34Å; F271-I329 HydrophobicContact CB-CG2 3.76Å; F271-I329 HydrophobicContact CD1-CG2 3.61Å; F271-I329 HydrophobicContact CG-CG2 4.12Å; F271-I329 PolarHBondContact N-O 3.46Å; F271-I329 PolarHBondContact O-N 2.93Å; F271-F334 HydrophobicContact CD1-CD2 4.14Å; F271-F334 HydrophobicContact CD1-CE2 4.13Å; F271-F334 HydrophobicContact CE1-CD2 4.47Å; F271-F334 HydrophobicContact CE1-CE2 4.02Å; F271-F334 HydrophobicContact CE2-CE2 4.48Å; F271-F334 HydrophobicContact CG-CD2 4.33Å; F271-F334 HydrophobicContact CG-CE2 4.39Å; F271-F334 HydrophobicContact CZ-CE2 4.2Å
272	F	88.6	Confident	87.2	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.039	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.7	-172.1	-61.6	-98.7	0	0	0	110.6	I261 I262 T270 W302 F303 C326 L327 V328	I261-F272 HydrophobicContact CG2-CD1 4Å; I261-F272 HydrophobicContact CG2-CE1 3.84Å; I261-F272 HydrophobicContact CG2-CG 4.5Å; I261-F272 HydrophobicContact CG2-CZ 4.17Å; I262-F272 HydrophobicContact CD1-CD2 4.07Å; I262-F272 HydrophobicContact CD1-CE2 3.98Å; I262-F272 HydrophobicContact CG1-CE2 4.08Å; T270-F272 WeakPolarHBondContact OG1-CE2 3.27Å; T270-F272 VanDerWaalsContact OG1-CZ 3.31Å; T270-F272 WeakPolarHBondContact OG1-CZ 3.35Å; F272-W302 CarbonylContact O-C 3.57Å; F272-W302 WeakPolarHBondContact O-CA 3.48Å; F272-W302 WeakPolarHBondContact O-CB 3.48Å; F272-F303 HydrophobicContact CB-CD1 4.37Å; F272-F303 HydrophobicContact CB-CD2 3.85Å; F272-F303 HydrophobicContact CB-CE1 3.96Å; F272-F303 HydrophobicContact CB-CE2 3.41Å; F272-F303 VanDerWaalsContact CB-CE2 3.41Å; F272-F303 HydrophobicContact CB-CG 4.32Å; F272-F303 HydrophobicContact CB-CZ 3.46Å; F272-F303 VanDerWaalsContact CB-CZ 3.46Å; F272-F303 HydrophobicContact CD1-CE2 4.25Å; F272-F303 HydrophobicContact CD1-CZ 4.36Å; F272-F303 AromaticContact CD2-CD2 3.96Å; F272-F303 HydrophobicContact CD2-CD2 3.96Å; F272-F303 AromaticContact CD2-CE2 3.55Å; F272-F303 HydrophobicContact CD2-CE2 3.55Å; F272-F303 HydrophobicContact CD2-CZ 4.38Å; F272-F303 HydrophobicContact CE2-CE2 4.37Å; F272-F303 HydrophobicContact CG-CD2 4.16Å; F272-F303 AromaticContact CG-CE2 3.48Å; F272-F303 HydrophobicContact CG-CE2 3.48Å; F272-F303 VanDerWaalsContact CG-CE2 3.48Å; F272-F303 AromaticContact CG-CZ 3.85Å; F272-F303 HydrophobicContact CG-CZ 3.85Å; F272-F303 PolarHBondContact N-O 3.38Å; F272-F303 PolarHBondContact O-N 2.96Å; F272-C326 HydrophobicContact CB-CB 4.47Å; F272-C326 HydrophobicContact CD1-CB 3.98Å; F272-L327 CarbonylContact C-O 3.55Å; F272-L327 WeakPolarHBondContact CA-O 3.38Å; F272-V328 HydrophobicContact CD1-CB 4.36Å; F272-V328 HydrophobicContact CD1-CG1 4.13Å; F272-V328 HydrophobicContact CD1-CG2 3.52Å; F272-V328 HydrophobicContact CE1-CB 4.38Å; F272-V328 HydrophobicContact CE1-CG1 3.85Å; F272-V328 HydrophobicContact CE1-CG2 3.59Å; F272-V328 HydrophobicContact CZ-CG1 4.19Å
273	I	89.1	Confident	87.1	Confident	4 Å²	4	53 Å²	53	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.3	172.1	-48.4	170.5	0	0	0	107.8	F228 L229 F235 L250 F271 S275 W302 C326 L327	F228-I273 HydrophobicContact CE1-CB 4.46Å; F228-I273 HydrophobicContact CE1-CG2 3.58Å; F228-I273 HydrophobicContact CZ-CG2 3.88Å; L229-I273 HydrophobicContact CD2-CD1 3.93Å; F235-I273 HydrophobicContact CD2-CD1 4.47Å; F235-I273 HydrophobicContact CE2-CD1 3.66Å; F235-I273 HydrophobicContact CE2-CG1 4.25Å; F235-I273 HydrophobicContact CZ-CD1 3.99Å; L250-I273 HydrophobicContact CD2-CD1 4.2Å; F271-I273 HydrophobicContact CD1-CG1 4.1Å; F271-I273 HydrophobicContact CE1-CD1 4Å; F271-I273 HydrophobicContact CE1-CG1 3.51Å; F271-I273 HydrophobicContact CZ-CG1 4.43Å; I273-S275 PolarHBondContact O-N 2.91Å; I273-W302 HydrophobicContact CG1-CB 4.26Å; I273-C326 CarbonylContact O-C 3.57Å; I273-C326 WeakPolarHBondContact O-CA 3.34Å; I273-L327 HydrophobicContact CB-CB 4.41Å; I273-L327 PolarHBondContact N-O 2.91Å; I273-L327 PolarHBondContact O-N 3.22Å
274	I	90.8	Very high	86.8	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.4	-176.3	-57.4	169.3	0	0	0	109	F228 V279 L297 G298 K299 G300 D301 F303	F228-I274 VanDerWaalsContact CZ-O 3.28Å; F228-I274 WeakPolarHBondContact CZ-O 3.42Å; I274-V279 HydrophobicContact CD1-CG1 4.27Å; I274-V279 HydrophobicContact CD1-CG2 3.58Å; I274-L297 HydrophobicContact CD1-CB 3.59Å; I274-G298 WeakPolarHBondContact CB-O 3.31Å; I274-K299 WeakPolarHBondContact O-CA 3.39Å; I274-G300 PolarHBondContact O-N 2.95Å; I274-D301 HydrophobicContact CD1-CB 4.37Å; I274-D301 PolarHBondContact N-O 2.86Å; I274-F303 HydrophobicContact CD1-CD1 4.1Å; I274-F303 HydrophobicContact CD1-CE1 3.85Å; I274-F303 HydrophobicContact CG1-CD1 4.16Å; I274-F303 HydrophobicContact CG1-CE1 3.64Å
275	S	91.8	Very high	86.4	Confident	13 Å²	13	51.6 Å²	51.6	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-33.3	177.2	68.6	0	0	0	0	112.4	I273 K299 T325	I273-S275 PolarHBondContact O-N 2.91Å; S275-K299 WeakPolarHBondContact O-CD 3.32Å; S275-K299 WeakPolarHBondContact O-CG 3.39Å; S275-T325 PolarHBondContact N-O 3.03Å; S275-T325 WeakPolarHBondContact OG-CB 3.46Å; S275-T325 WeakPolarHBondContact OG-CG2 3.47Å; S275-T325 PolarHBondContact OG-O 3.09Å; S275-T325 VanDerWaalsContact OG-O 3.14Å
276	K	92.8	Very high	86	Confident	132 Å²	132	55.1 Å²	55.1	57%	0.574	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.6	149	178.2	-61.6	176.1	-174.8	162	0	110.9	V324 T325	K276-V324 WeakPolarHBondContact O-CA 3.48Å; K276-T325 PolarHBondContact N-O 3.09Å; K276-T325 PolarHBondContact O-N 2.87Å
277	G	93.9	Very high	85	Confident	19 Å²	19	59 Å²	59	20%	0.196	30%	0.295	C	S	.	.	S	Bend	trans	85.7	-167.6	177.2	0	0	0	0	0	114.3	E322	G277-E322 WeakPolarHBondContact CA-OE1 3.35Å
278	K	95.3	Very high	84.2	Confident	118 Å²	118	57.1 Å²	57.1	51%	0.513	30%	0.301	S	S	.	.			trans	-137.6	147.7	177.7	-70.6	178.9	-177.3	174.2	0	112.2	L297 A321 E322 V324	K278-L297 CarbonylContact C-O 3.52Å; K278-L297 VanDerWaalsContact CA-O 3.31Å; K278-L297 WeakPolarHBondContact CA-O 3.42Å; K278-A321 HydrophobicContact CB-CB 4.5Å; K278-A321 WeakPolarHBondContact O-CB 3.17Å; K278-A321 PolarHBondContact O-N 3.11Å; K278-E322 HydrophobicContact CB-CG 4.4Å; K278-E322 PolarHBondContact N-OE1 3.46Å; K278-V324 WeakPolarHBondContact O-CG2 3.39Å
279	V	95.6	Very high	83.9	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.5	176.8	-54.5	0	0	0	0	110.6	I261 I274 S296 L297 F303 V318 I319 V324	I261-V279 HydrophobicContact CD1-CG1 3.51Å; I274-V279 HydrophobicContact CD1-CG1 4.27Å; I274-V279 HydrophobicContact CD1-CG2 3.58Å; V279-S296 CarbonylContact O-C 3.55Å; V279-S296 WeakPolarHBondContact O-CA 3.28Å; V279-L297 HydrophobicContact CG2-CB 3.73Å; V279-L297 HydrophobicContact CG2-CD1 4.45Å; V279-L297 HydrophobicContact CG2-CG 4.47Å; V279-L297 PolarHBondContact N-O 3Å; V279-L297 PolarHBondContact O-N 3.39Å; V279-F303 HydrophobicContact CG2-CD1 4.4Å; V279-F303 HydrophobicContact CG2-CE1 4.1Å; V279-V318 HydrophobicContact CB-CG1 3.75Å; V279-V318 HydrophobicContact CG1-CG1 4.27Å; V279-V318 HydrophobicContact CG2-CG1 3.62Å; V279-I319 CarbonylContact C-O 3.42Å; V279-I319 VanDerWaalsContact CA-O 3.27Å; V279-I319 WeakPolarHBondContact CA-O 3.4Å; V279-I319 WeakPolarHBondContact CB-O 3.33Å; V279-V324 HydrophobicContact CG1-CB 4.39Å; V279-V324 HydrophobicContact CG1-CG1 3.84Å; V279-V324 HydrophobicContact CG1-CG2 3.83Å
280	N	94.3	Very high	83.9	Confident	55 Å²	55	62.6 Å²	62.6	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	172.7	-69.8	-28.9	0	0	0	109.7	Y293 I319 A321	N280-Y293 HydrophobicContact CB-CD2 4.45Å; N280-Y293 HydrophobicContact CB-CE2 4.09Å; N280-I319 PolarHBondContact N-O 3.14Å; N280-I319 PolarHBondContact O-N 3.08Å; N280-A321 WeakPolarHBondContact ND2-CB 3.34Å
281	V	91.6	Very high	83.7	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.3	175.8	-170.6	0	0	0	0	108.6	L294 H295 L297 A316 N317 V318	V281-L294 HydrophobicContact CG1-CD1 4.13Å; V281-L294 WeakPolarHBondContact O-CB 3.14Å; V281-L294 PolarHBondContact O-N 2.94Å; V281-H295 PolarHBondContact N-O 3.3Å; V281-L297 HydrophobicContact CG2-CD1 3.88Å; V281-L297 HydrophobicContact CG2-CG 4.09Å; V281-A316 HydrophobicContact CG1-CB 3.97Å; V281-N317 WeakPolarHBondContact CA-O 3.37Å; V281-V318 HydrophobicContact CG2-CG2 4.46Å
282	T	90.4	Very high	83.8	Confident	13 Å²	13	67 Å²	67	8%	0.08	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.7	179.1	70.6	0	0	0	0	111.1	V292 A316 N317	T282-V292 CarbonylContact C-O 3.54Å; T282-V292 WeakPolarHBondContact CA-O 3.14Å; T282-V292 WeakPolarHBondContact CB-O 3.27Å; T282-A316 WeakPolarHBondContact O-CB 3.45Å; T282-N317 PolarHBondContact N-O 3.39Å; T282-N317 PolarHBondContact O-N 2.69Å; T282-N317 WeakPolarHBondContact OG1-CB 3.41Å
283	R	87	Confident	83.8	Confident	95 Å²	95	72.6 Å²	72.6	36%	0.358	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.9	177.2	-166	176.2	68.9	-149.3	-5.1	110.8	D285 V292 L294	R283-D285 IonicContact CZ-OD1 2.69Å; R283-D285 IonicContact CZ-OD2 2.96Å; R283-D285 IonicContact NE-OD1 3.98Å; R283-D285 PolarHBondContact NE-OD1 2.81Å; R283-D285 IonicContact NE-OD2 2.75Å; R283-D285 IonicContact NH2-OD1 3.74Å; R283-D285 PolarHBondContact NH2-OD1 3.21Å; R283-D285 IonicContact NH2-OD2 3.39Å; R283-D285 PolarHBondContact NH2-OD2 3.46Å; R283-D285 VanDerWaalsContact NH2-OD2 3.1Å; R283-V292 PolarHBondContact N-O 3.14Å; R283-V292 WeakPolarHBondContact O-CB 3.18Å; R283-V292 PolarHBondContact O-N 3.43Å; R283-L294 HydrophobicContact CB-CD1 3.95Å; R283-L294 HydrophobicContact CB-CG 4.32Å
284	E	83.9	Confident	83.7	Confident	77 Å²	77	75.6 Å²	75.6	36%	0.36	39%	0.394	S	S	.	.			trans	-98.2	104.7	174	-72.2	174	-155.6	0	0	108.8	Q264 P291	Q264-E284 PolarHBondContact NE2-O 2.73Å; E284-P291 HydrophobicContact CG-CB 4.26Å; E284-P291 HydrophobicContact CG-CG 4.46Å
285	D	76.6	Confident	83.5	Confident	95 Å²	95	79.7 Å²	79.7	51%	0.508	41%	0.413	S	S	.	.			trans	-85.7	-15.6	-178.1	-71.5	-26.6	0	0	0	112.8	R283	R283-D285 IonicContact CZ-OD1 2.69Å; R283-D285 IonicContact CZ-OD2 2.96Å; R283-D285 IonicContact NE-OD1 3.98Å; R283-D285 PolarHBondContact NE-OD1 2.81Å; R283-D285 IonicContact NE-OD2 2.75Å; R283-D285 IonicContact NH2-OD1 3.74Å; R283-D285 PolarHBondContact NH2-OD1 3.21Å; R283-D285 IonicContact NH2-OD2 3.39Å; R283-D285 PolarHBondContact NH2-OD2 3.46Å; R283-D285 VanDerWaalsContact NH2-OD2 3.1Å
286	L	72.9	Confident	83.5	Confident	126 Å²	126	82 Å²	82	66%	0.66	43%	0.429	S	S	*	.	S	Bend	trans	-134.7	140.4	-179.9	-70.4	166.3	0	0	0	111	N288 G289	L286-N288 PolarHBondContact O-N 2.71Å; L286-N288 VanDerWaalsContact O-N 3.15Å; L286-G289 PolarHBondContact O-N 3.17Å; L286-G289 VanDerWaalsContact O-N 3.07Å
287	P	60.3	Low	83.4	Confident	122 Å²	122	76.9 Å²	76.9	79%	0.792	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	118.5	171.1	-15.4	27.7	0	0	0	109.7
288	N	62	Low	83.2	Confident	170 Å²	170	76.5 Å²	76.5	91%	0.909	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	18.5	-175.1	-52.3	-16.5	0	0	0	116.6	L286	L286-N288 PolarHBondContact O-N 2.71Å; L286-N288 VanDerWaalsContact O-N 3.15Å
289	G	64.9	Low	83	Confident	33 Å²	33	77.8 Å²	77.8	34%	0.34	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-80	159.4	167.9	0	0	0	0	0	112.7	L286	L286-G289 PolarHBondContact O-N 3.17Å; L286-G289 VanDerWaalsContact O-N 3.07Å
290	E	74	Confident	82.4	Confident	182 Å²	182	78.5 Å²	78.5	85%	0.85	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.3	167.6	-73.9	-165.6	165.7	0	0	110.1	V292	E290-V292 PolarHBondContact O-N 2.9Å
291	P	78.4	Confident	81.9	Confident	65 Å²	65	79.3 Å²	79.3	42%	0.422	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-60.8	126.8	179.6	-15.4	25.7	0	0	0	110.8	E284 Y293	E284-P291 HydrophobicContact CG-CB 4.26Å; E284-P291 HydrophobicContact CG-CG 4.46Å; P291-Y293 PolarHBondContact O-N 3.02Å
292	V	85.8	Confident	81.7	Confident	69 Å²	69	82.6 Å²	82.6	42%	0.418	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.3	176.6	-178	0	0	0	0	108.8	T282 R283 E290 L294	T282-V292 CarbonylContact C-O 3.54Å; T282-V292 WeakPolarHBondContact CA-O 3.14Å; T282-V292 WeakPolarHBondContact CB-O 3.27Å; R283-V292 PolarHBondContact N-O 3.14Å; R283-V292 WeakPolarHBondContact O-CB 3.18Å; R283-V292 PolarHBondContact O-N 3.43Å; E290-V292 PolarHBondContact O-N 2.9Å; V292-L294 PolarHBondContact O-N 3.19Å
293	Y	89.3	Confident	81.4	Confident	125 Å²	125	82.4 Å²	82.4	49%	0.49	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.4	172.1	176.4	-94.6	0	0	0	110.7	N280 P291 H295 S296	N280-Y293 HydrophobicContact CB-CD2 4.45Å; N280-Y293 HydrophobicContact CB-CE2 4.09Å; P291-Y293 PolarHBondContact O-N 3.02Å; Y293-H295 VanDerWaalsContact OH-C 3.28Å; Y293-S296 WeakPolarHBondContact OH-CB 3.41Å; Y293-S296 PolarHBondContact OH-N 3.4Å; Y293-S296 VanDerWaalsContact OH-N 3.11Å
294	L	85.9	Confident	80.8	Confident	67 Å²	67	78.4 Å²	78.4	35%	0.351	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-61.9	178.2	-61.3	179.7	0	0	0	111.2	V281 R283 V292	V281-L294 HydrophobicContact CG1-CD1 4.13Å; V281-L294 WeakPolarHBondContact O-CB 3.14Å; V281-L294 PolarHBondContact O-N 2.94Å; R283-L294 HydrophobicContact CB-CD1 3.95Å; R283-L294 HydrophobicContact CB-CG 4.32Å; V292-L294 PolarHBondContact O-N 3.19Å
295	H	88	Confident	79.9	Confident	87 Å²	87	77.7 Å²	77.7	40%	0.403	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	174.2	-179.2	59	-79.1	0	0	0	110.4	V281 Y293	V281-H295 PolarHBondContact N-O 3.3Å; Y293-H295 VanDerWaalsContact OH-C 3.28Å
296	S	90.1	Very high	79.1	Confident	61 Å²	61	78.2 Å²	78.2	43%	0.427	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144	173.6	61.4	0	0	0	0	110.4	V279 Y293	V279-S296 CarbonylContact O-C 3.55Å; V279-S296 WeakPolarHBondContact O-CA 3.28Å; Y293-S296 WeakPolarHBondContact OH-CB 3.41Å; Y293-S296 PolarHBondContact OH-N 3.4Å; Y293-S296 VanDerWaalsContact OH-N 3.11Å
297	L	90.7	Very high	78	Confident	24 Å²	24	72.4 Å²	72.4	13%	0.126	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.4	173.2	-59	172.6	0	0	0	109.3	I274 K278 V279 V281 D301 F303	I274-L297 HydrophobicContact CD1-CB 3.59Å; K278-L297 CarbonylContact C-O 3.52Å; K278-L297 VanDerWaalsContact CA-O 3.31Å; K278-L297 WeakPolarHBondContact CA-O 3.42Å; V279-L297 HydrophobicContact CG2-CB 3.73Å; V279-L297 HydrophobicContact CG2-CD1 4.45Å; V279-L297 HydrophobicContact CG2-CG 4.47Å; V279-L297 PolarHBondContact N-O 3Å; V279-L297 PolarHBondContact O-N 3.39Å; V281-L297 HydrophobicContact CG2-CD1 3.88Å; V281-L297 HydrophobicContact CG2-CG 4.09Å; L297-D301 WeakPolarHBondContact CA-OD2 3.45Å; L297-D301 HydrophobicContact CB-CB 3.84Å; L297-D301 HydrophobicContact CD2-CB 4.02Å; L297-D301 HydrophobicContact CG-CB 4.41Å; L297-F303 HydrophobicContact CD1-CB 4Å; L297-F303 HydrophobicContact CD1-CD1 4.02Å; L297-F303 HydrophobicContact CD1-CG 4.43Å
298	G	90.3	Very high	77.6	Confident	11 Å²	11	67.1 Å²	67.1	11%	0.113	35%	0.348	C	S	.	.			trans	-132.3	-167.2	-178.6	0	0	0	0	0	112.9	I274 G300 D301	I274-G298 WeakPolarHBondContact CB-O 3.31Å; G298-G300 PolarHBondContact O-N 3.03Å; G298-D301 PolarHBondContact N-OD2 2.71Å; G298-D301 VanDerWaalsContact O-CB 3.27Å; G298-D301 WeakPolarHBondContact O-CB 3.32Å; G298-D301 PolarHBondContact O-N 2.77Å
299	K	90.4	Very high	77.2	Confident	146 Å²	146	66.8 Å²	66.8	64%	0.635	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	125.6	-179.2	179.4	176.8	-178.4	-174.6	0	112.3	F228 I274 S275 D301	F228-K299 HydrophobicContact CE2-CG 4.06Å; I274-K299 WeakPolarHBondContact O-CA 3.39Å; S275-K299 WeakPolarHBondContact O-CD 3.32Å; S275-K299 WeakPolarHBondContact O-CG 3.39Å; K299-D301 VanDerWaalsContact C-N 3.32Å
300	G	83.4	Confident	76.6	Confident	15 Å²	15	67.4 Å²	67.4	16%	0.155	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	-14.9	179.5	0	0	0	0	0	114.3	V232 I274 G298	V232-G300 WeakPolarHBondContact CG1-O 3.09Å; I274-G300 PolarHBondContact O-N 2.95Å; G298-G300 PolarHBondContact O-N 3.03Å
301	D	84.8	Confident	75.8	Confident	71 Å²	71	64.6 Å²	64.6	38%	0.38	33%	0.334	S	S	.	.			trans	-75.8	159.9	168.8	-61.4	-40.5	0	0	0	110.5	I274 L297 G298 K299	I274-D301 HydrophobicContact CD1-CB 4.37Å; I274-D301 PolarHBondContact N-O 2.86Å; L297-D301 WeakPolarHBondContact CA-OD2 3.45Å; L297-D301 HydrophobicContact CB-CB 3.84Å; L297-D301 HydrophobicContact CD2-CB 4.02Å; L297-D301 HydrophobicContact CG-CB 4.41Å; G298-D301 PolarHBondContact N-OD2 2.71Å; G298-D301 VanDerWaalsContact O-CB 3.27Å; G298-D301 WeakPolarHBondContact O-CB 3.32Å; G298-D301 PolarHBondContact O-N 2.77Å; K299-D301 VanDerWaalsContact C-N 3.32Å
302	W	85.9	Confident	75.1	Confident	80 Å²	80	64.8 Å²	64.8	30%	0.303	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.8	-178.5	51.4	-96.1	0	0	0	110.8	T234 F271 F272 I273 E305	T234-W302 HydrophobicContact CG2-CZ2 4.3Å; T234-W302 PolarHBondContact OG1-NE1 3.45Å; F271-W302 HydrophobicContact CE1-CB 4.15Å; F271-W302 HydrophobicContact CE2-CB 4.23Å; F271-W302 AromaticContact CE2-CD2 3.88Å; F271-W302 HydrophobicContact CE2-CD2 3.88Å; F271-W302 AromaticContact CE2-CE3 3.36Å; F271-W302 HydrophobicContact CE2-CE3 3.36Å; F271-W302 HydrophobicContact CE2-CG 4.28Å; F271-W302 AromaticContact CE2-CZ3 4Å; F271-W302 HydrophobicContact CE2-CZ3 4Å; F271-W302 HydrophobicContact CZ-CB 3.61Å; F271-W302 AromaticContact CZ-CD2 3.69Å; F271-W302 HydrophobicContact CZ-CD2 3.69Å; F271-W302 AromaticContact CZ-CE3 3.69Å; F271-W302 HydrophobicContact CZ-CE3 3.69Å; F271-W302 AromaticContact CZ-CG 3.69Å; F271-W302 HydrophobicContact CZ-CG 3.69Å; F272-W302 CarbonylContact O-C 3.57Å; F272-W302 WeakPolarHBondContact O-CA 3.48Å; F272-W302 WeakPolarHBondContact O-CB 3.48Å; I273-W302 HydrophobicContact CG1-CB 4.26Å; W302-E305 HydrophobicContact CE3-CB 4.24Å; W302-E305 HydrophobicContact CH2-CB 4.28Å; W302-E305 HydrophobicContact CH2-CG 4.11Å; W302-E305 HydrophobicContact CZ3-CB 3.49Å; W302-E305 VanDerWaalsContact CZ3-CB 3.49Å; W302-E305 VanDerWaalsContact CZ3-CD 3.44Å; W302-E305 HydrophobicContact CZ3-CG 3.49Å; W302-E305 VanDerWaalsContact CZ3-CG 3.49Å; W302-E305 VanDerWaalsContact CZ3-OE2 3.31Å; W302-E305 WeakPolarHBondContact CZ3-OE2 3.47Å
303	F	85.3	Confident	74.5	Confident	9 Å²	9	66 Å²	66	4%	0.039	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.4	179.4	56.7	-95	0	0	0	112.3	I261 I262 F272 I274 V279 L297 V318	I261-F303 HydrophobicContact CB-CE2 4.48Å; I261-F303 HydrophobicContact CB-CZ 4.41Å; I261-F303 HydrophobicContact CD1-CZ 4.11Å; I261-F303 HydrophobicContact CG2-CE2 3.83Å; I261-F303 HydrophobicContact CG2-CZ 3.83Å; I262-F303 HydrophobicContact CD1-CD2 3.55Å; I262-F303 HydrophobicContact CD1-CE2 3.77Å; I262-F303 HydrophobicContact CG1-CD2 4.37Å; I262-F303 HydrophobicContact CG1-CE2 4.12Å; F272-F303 HydrophobicContact CB-CD1 4.37Å; F272-F303 HydrophobicContact CB-CD2 3.85Å; F272-F303 HydrophobicContact CB-CE1 3.96Å; F272-F303 HydrophobicContact CB-CE2 3.41Å; F272-F303 VanDerWaalsContact CB-CE2 3.41Å; F272-F303 HydrophobicContact CB-CG 4.32Å; F272-F303 HydrophobicContact CB-CZ 3.46Å; F272-F303 VanDerWaalsContact CB-CZ 3.46Å; F272-F303 HydrophobicContact CD1-CE2 4.25Å; F272-F303 HydrophobicContact CD1-CZ 4.36Å; F272-F303 AromaticContact CD2-CD2 3.96Å; F272-F303 HydrophobicContact CD2-CD2 3.96Å; F272-F303 AromaticContact CD2-CE2 3.55Å; F272-F303 HydrophobicContact CD2-CE2 3.55Å; F272-F303 HydrophobicContact CD2-CZ 4.38Å; F272-F303 HydrophobicContact CE2-CE2 4.37Å; F272-F303 HydrophobicContact CG-CD2 4.16Å; F272-F303 AromaticContact CG-CE2 3.48Å; F272-F303 HydrophobicContact CG-CE2 3.48Å; F272-F303 VanDerWaalsContact CG-CE2 3.48Å; F272-F303 AromaticContact CG-CZ 3.85Å; F272-F303 HydrophobicContact CG-CZ 3.85Å; F272-F303 PolarHBondContact N-O 3.38Å; F272-F303 PolarHBondContact O-N 2.96Å; I274-F303 HydrophobicContact CD1-CD1 4.1Å; I274-F303 HydrophobicContact CD1-CE1 3.85Å; I274-F303 HydrophobicContact CG1-CD1 4.16Å; I274-F303 HydrophobicContact CG1-CE1 3.64Å; V279-F303 HydrophobicContact CG2-CD1 4.4Å; V279-F303 HydrophobicContact CG2-CE1 4.1Å; L297-F303 HydrophobicContact CD1-CB 4Å; L297-F303 HydrophobicContact CD1-CD1 4.02Å; L297-F303 HydrophobicContact CD1-CG 4.43Å; F303-V318 HydrophobicContact CD1-CG1 4.28Å; F303-V318 HydrophobicContact CD2-CB 4.35Å; F303-V318 HydrophobicContact CD2-CG1 4.15Å; F303-V318 HydrophobicContact CD2-CG2 3.92Å; F303-V318 HydrophobicContact CE1-CG1 3.99Å; F303-V318 HydrophobicContact CE2-CB 4.18Å; F303-V318 HydrophobicContact CE2-CG1 3.85Å; F303-V318 HydrophobicContact CE2-CG2 4.26Å; F303-V318 HydrophobicContact CG-CG1 4.35Å; F303-V318 HydrophobicContact CG-CG2 4.3Å; F303-V318 HydrophobicContact CZ-CG1 3.77Å
304	G	74.2	Confident	74.1	Confident	11 Å²	11	61 Å²	61	11%	0.113	32%	0.315	C	S	.	.			trans	99.9	9.1	178.3	0	0	0	0	0	113.9	K306 A307 R314	G304-K306 VanDerWaalsContact C-N 3.28Å; G304-K306 PolarHBondContact O-N 3Å; G304-A307 WeakPolarHBondContact O-CB 3.41Å; G304-A307 PolarHBondContact O-N 3.42Å; G304-R314 VanDerWaalsContact CA-NH1 3.34Å; G304-R314 PolarHBondContact O-NH1 3.34Å
305	E	65.4	Low	73.8	Confident	62 Å²	62	60.7 Å²	60.7	29%	0.29	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-30	-179.6	75	-72.2	173.5	0	0	114.1	F271 W302 A307 L308 Q309	F271-E305 HydrophobicContact CD2-CB 4.42Å; F271-E305 HydrophobicContact CE2-CB 4.23Å; W302-E305 HydrophobicContact CE3-CB 4.24Å; W302-E305 HydrophobicContact CH2-CB 4.28Å; W302-E305 HydrophobicContact CH2-CG 4.11Å; W302-E305 HydrophobicContact CZ3-CB 3.49Å; W302-E305 VanDerWaalsContact CZ3-CB 3.49Å; W302-E305 VanDerWaalsContact CZ3-CD 3.44Å; W302-E305 HydrophobicContact CZ3-CG 3.49Å; W302-E305 VanDerWaalsContact CZ3-CG 3.49Å; W302-E305 VanDerWaalsContact CZ3-OE2 3.31Å; W302-E305 WeakPolarHBondContact CZ3-OE2 3.47Å; E305-A307 PolarHBondContact O-N 3.33Å; E305-L308 WeakPolarHBondContact O-CA 3.31Å; E305-L308 VanDerWaalsContact O-CB 3.24Å; E305-L308 WeakPolarHBondContact O-CB 3.35Å; E305-L308 PolarHBondContact O-N 2.74Å; E305-Q309 PolarHBondContact O-N 2.87Å
306	K	58.8	Low	73.7	Confident	107 Å²	107	57.3 Å²	57.3	47%	0.465	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-31.8	-179.8	-68.2	-171.9	177.8	-178.4	0	112.3	G304 L308 Q309	G304-K306 VanDerWaalsContact C-N 3.28Å; G304-K306 PolarHBondContact O-N 3Å; K306-L308 PolarHBondContact O-N 3.38Å; K306-Q309 PolarHBondContact O-N 3.41Å
307	A	50.4	Low	73.7	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-35.4	170.2	0	0	0	0	0	111.5	G268 G304 E305 Q309 G310 E311 R314 R331	G268-A307 WeakPolarHBondContact O-CB 3.24Å; G304-A307 WeakPolarHBondContact O-CB 3.41Å; G304-A307 PolarHBondContact O-N 3.42Å; E305-A307 PolarHBondContact O-N 3.33Å; A307-Q309 VanDerWaalsContact C-N 3.31Å; A307-Q309 PolarHBondContact O-N 2.96Å; A307-G310 PolarHBondContact O-N 2.88Å; A307-E311 WeakPolarHBondContact CA-O 3.33Å; A307-R314 VanDerWaalsContact CB-NH1 3.32Å; A307-R331 PolarHBondContact O-NE 3.01Å; A307-R331 VanDerWaalsContact O-NE 3.16Å; A307-R331 PolarHBondContact O-NH1 2.73Å; A307-R331 PolarHBondContact O-NH2 2.92Å
308	L	51.5	Low	73.7	Confident	11 Å²	11	54 Å²	54	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-70.7	-24.8	-179.9	-54.4	178.8	0	0	0	113.2	F271 E305 K306 G310 R331 F334 K335	F271-L308 HydrophobicContact CB-CD1 3.8Å; F271-L308 HydrophobicContact CB-CD2 4.43Å; F271-L308 HydrophobicContact CB-CG 4.4Å; F271-L308 HydrophobicContact CD2-CD1 3.62Å; F271-L308 HydrophobicContact CE2-CD1 4.47Å; F271-L308 HydrophobicContact CG-CD1 3.96Å; E305-L308 WeakPolarHBondContact O-CA 3.31Å; E305-L308 VanDerWaalsContact O-CB 3.24Å; E305-L308 WeakPolarHBondContact O-CB 3.35Å; E305-L308 PolarHBondContact O-N 2.74Å; K306-L308 PolarHBondContact O-N 3.38Å; L308-G310 VanDerWaalsContact C-N 3.25Å; L308-G310 PolarHBondContact O-N 3.08Å; L308-R331 VanDerWaalsContact CD2-CA 3.41Å; L308-R331 HydrophobicContact CD2-CB 3.53Å; L308-R331 HydrophobicContact CD2-CG 3.67Å; L308-F334 HydrophobicContact CD1-CB 4.32Å; L308-F334 HydrophobicContact CD1-CD1 3.46Å; L308-F334 VanDerWaalsContact CD1-CD1 3.46Å; L308-F334 HydrophobicContact CD1-CD2 4.22Å; L308-F334 HydrophobicContact CD1-CE1 3.71Å; L308-F334 HydrophobicContact CD1-CE2 4.41Å; L308-F334 HydrophobicContact CD1-CG 3.73Å; L308-F334 HydrophobicContact CD1-CZ 4.18Å; L308-K335 WeakPolarHBondContact O-CE 3.25Å; L308-K335 PolarHBondContact O-NZ 3.47Å
309	Q	53.9	Low	73.9	Confident	163 Å²	163	54.8 Å²	54.8	76%	0.762	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	2	-178.7	-66.8	-178.5	-4.3	0	0	114.3	E305 K306 A307	E305-Q309 PolarHBondContact O-N 2.87Å; K306-Q309 PolarHBondContact O-N 3.41Å; A307-Q309 VanDerWaalsContact C-N 3.31Å; A307-Q309 PolarHBondContact O-N 2.96Å
310	G	52.7	Low	74.1	Confident	46 Å²	46	47.9 Å²	47.9	47%	0.474	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.7	-1	173.3	0	0	0	0	0	115.2	A307 L308	A307-G310 PolarHBondContact O-N 2.88Å; L308-G310 VanDerWaalsContact C-N 3.25Å; L308-G310 PolarHBondContact O-N 3.08Å
311	E	56.2	Low	74.6	Confident	123 Å²	123	48.9 Å²	48.9	58%	0.575	26%	0.26	S	S	*	.			trans	-89.8	99.1	168.4	-68.9	-174.5	171.7	0	0	109.1	A307 I313	A307-E311 WeakPolarHBondContact CA-O 3.33Å; E311-I313 PolarHBondContact O-N 3.02Å
312	D	63.6	Low	75.1	Confident	69 Å²	69	49.5 Å²	49.5	37%	0.369	26%	0.26	S	S	.	.			trans	-64.6	-0.8	-177.1	-65.3	-25.4	0	0	0	114.5	R267 G268 R331	R267-D312 WeakPolarHBondContact CA-O 3.47Å; G268-D312 PolarHBondContact N-O 3.05Å; G268-D312 VanDerWaalsContact N-O 3.09Å; D312-R331 IonicContact OD1-CZ 3.91Å; D312-R331 IonicContact OD1-NH1 3.42Å; D312-R331 PolarHBondContact OD1-NH1 2.8Å; D312-R331 IonicContact OD1-NH2 2.94Å; D312-R331 PolarHBondContact OD1-NH2 2.82Å
313	I	74.2	Confident	75.4	Confident	96 Å²	96	48.8 Å²	48.8	49%	0.492	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-111.5	127.4	-172.2	-57	176.3	0	0	0	109.7	E311 T315	E311-I313 PolarHBondContact O-N 3.02Å; I313-T315 PolarHBondContact O-N 2.96Å
314	R	81.3	Confident	75.9	Confident	19 Å²	19	48.5 Å²	48.5	7%	0.072	27%	0.27	C	S	.	.			trans	-70.5	126.4	178.4	-59.6	-69.4	-165	-177.5	2.4	110.5	I262 R263 Q264 G265 A266 T270 G304 A307	I262-R314 HydrophobicContact CG2-CB 3.62Å; I262-R314 HydrophobicContact CG2-CG 3.56Å; R263-R314 WeakPolarHBondContact O-CB 3.49Å; Q264-R314 WeakPolarHBondContact CA-O 3.15Å; G265-R314 PolarHBondContact N-O 3.33Å; A266-R314 VanDerWaalsContact O-CG 3.29Å; A266-R314 WeakPolarHBondContact O-CG 3.48Å; A266-R314 PolarHBondContact O-N 2.93Å; T270-R314 VanDerWaalsContact O-CZ 3.3Å; T270-R314 PolarHBondContact O-NH1 2.94Å; T270-R314 PolarHBondContact O-NH2 2.85Å; T270-R314 PolarHBondContact OG1-NH2 3.01Å; G304-R314 VanDerWaalsContact CA-NH1 3.34Å; G304-R314 PolarHBondContact O-NH1 3.34Å; A307-R314 VanDerWaalsContact CB-NH1 3.32Å
315	T	79.3	Confident	76.8	Confident	61 Å²	61	48.7 Å²	48.7	37%	0.374	27%	0.269	S	S	.	.			trans	-88.8	-6.6	-174.6	61.3	0	0	0	0	114.4	I313	I313-T315 PolarHBondContact O-N 2.96Å
316	A	85.1	Confident	78.1	Confident	16 Å²	16	45.7 Å²	45.7	13%	0.132	26%	0.256	C	S	.	.	S	Bend	trans	-152.9	158.6	-177.3	0	0	0	0	0	110.1	I262 V281 T282	I262-A316 WeakPolarHBondContact CG2-O 3.27Å; V281-A316 HydrophobicContact CG1-CB 3.97Å; T282-A316 WeakPolarHBondContact O-CB 3.45Å
317	N	89.3	Confident	79.6	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	146.1	167.1	-62.5	-55.4	0	0	0	109.7	Y260 I262 R263 Q264 V281 T282 I319	Y260-N317 HydrophobicContact CD1-CB 4.27Å; Y260-N317 HydrophobicContact CE1-CB 4.06Å; I262-N317 CarbonylContact O-C 3.53Å; I262-N317 VanDerWaalsContact O-CA 3.27Å; I262-N317 WeakPolarHBondContact O-CA 3.41Å; R263-N317 WeakPolarHBondContact CA-OD1 3.42Å; Q264-N317 PolarHBondContact N-OD1 3.21Å; V281-N317 WeakPolarHBondContact CA-O 3.37Å; T282-N317 PolarHBondContact N-O 3.39Å; T282-N317 PolarHBondContact O-N 2.69Å; T282-N317 WeakPolarHBondContact OG1-CB 3.41Å; N317-I319 HydrophobicContact CB-CG1 4.39Å
318	V	92	Very high	81.4	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.8	168.3	-175.5	0	0	0	0	107.3	I261 I262 V279 V281 F303	I261-V318 HydrophobicContact CB-CB 4.49Å; I261-V318 HydrophobicContact CB-CG1 4.46Å; I261-V318 HydrophobicContact CD1-CG1 4.42Å; I261-V318 PolarHBondContact N-O 3.5Å; I262-V318 HydrophobicContact CB-CB 4.02Å; I262-V318 HydrophobicContact CB-CG2 4.03Å; I262-V318 HydrophobicContact CD1-CG2 4.31Å; I262-V318 HydrophobicContact CG1-CG2 4.48Å; I262-V318 PolarHBondContact N-O 3.34Å; I262-V318 VanDerWaalsContact N-O 3.15Å; I262-V318 PolarHBondContact O-N 2.9Å; V279-V318 HydrophobicContact CB-CG1 3.75Å; V279-V318 HydrophobicContact CG1-CG1 4.27Å; V279-V318 HydrophobicContact CG2-CG1 3.62Å; V281-V318 HydrophobicContact CG2-CG2 4.46Å; F303-V318 HydrophobicContact CD1-CG1 4.28Å; F303-V318 HydrophobicContact CD2-CB 4.35Å; F303-V318 HydrophobicContact CD2-CG1 4.15Å; F303-V318 HydrophobicContact CD2-CG2 3.92Å; F303-V318 HydrophobicContact CE1-CG1 3.99Å; F303-V318 HydrophobicContact CE2-CB 4.18Å; F303-V318 HydrophobicContact CE2-CG1 3.85Å; F303-V318 HydrophobicContact CE2-CG2 4.26Å; F303-V318 HydrophobicContact CG-CG1 4.35Å; F303-V318 HydrophobicContact CG-CG2 4.3Å; F303-V318 HydrophobicContact CZ-CG1 3.77Å
319	I	93.8	Very high	83	Confident	28 Å²	28	40.9 Å²	40.9	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.7	-171	-52.5	170.6	0	0	0	108.5	E259 Y260 V279 N280 N317 A321	E259-I319 CarbonylContact O-C 3.49Å; E259-I319 WeakPolarHBondContact O-CA 3.4Å; E259-I319 WeakPolarHBondContact O-CG2 3.06Å; Y260-I319 HydrophobicContact CD1-CD1 4.14Å; Y260-I319 HydrophobicContact CD1-CG1 3.72Å; Y260-I319 HydrophobicContact CD2-CG1 4.4Å; Y260-I319 HydrophobicContact CE1-CD1 3.56Å; Y260-I319 HydrophobicContact CE1-CG1 3.7Å; Y260-I319 HydrophobicContact CE2-CD1 4.17Å; Y260-I319 HydrophobicContact CE2-CG1 4.38Å; Y260-I319 HydrophobicContact CG-CG1 4.1Å; V279-I319 CarbonylContact C-O 3.42Å; V279-I319 VanDerWaalsContact CA-O 3.27Å; V279-I319 WeakPolarHBondContact CA-O 3.4Å; V279-I319 WeakPolarHBondContact CB-O 3.33Å; N280-I319 PolarHBondContact N-O 3.14Å; N280-I319 PolarHBondContact O-N 3.08Å; N317-I319 HydrophobicContact CB-CG1 4.39Å; I319-A321 PolarHBondContact O-N 3.2Å
320	A	95.4	Very high	84.3	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	120.8	175.1	0	0	0	0	0	110.1	E256 G258 E259 V324	E256-A320 VanDerWaalsContact O-CB 3.24Å; E256-A320 WeakPolarHBondContact O-CB 3.4Å; G258-A320 PolarHBondContact N-O 3.46Å; E259-A320 PolarHBondContact O-N 3.04Å; A320-V324 HydrophobicContact CB-CB 4.33Å; A320-V324 HydrophobicContact CB-CG2 4.14Å
321	A	92.9	Very high	85.3	Confident	35 Å²	35	34.8 Å²	34.8	29%	0.289	20%	0.195	S	C	.	.	S	Bend	trans	-87.3	-16.5	178.8	0	0	0	0	0	112.4	K278 N280 I319	K278-A321 HydrophobicContact CB-CB 4.5Å; K278-A321 WeakPolarHBondContact O-CB 3.17Å; K278-A321 PolarHBondContact O-N 3.11Å; N280-A321 WeakPolarHBondContact ND2-CB 3.34Å; I319-A321 PolarHBondContact O-N 3.2Å
322	E	95	Very high	86	Confident	85 Å²	85	33.7 Å²	33.7	40%	0.397	19%	0.193	S	C	.	.	S	Bend	trans	-153.4	-173.4	174.7	59.6	-172.1	176.9	0	0	107.3	G277 K278 V324	G277-E322 WeakPolarHBondContact CA-OE1 3.35Å; K278-E322 HydrophobicContact CB-CG 4.4Å; K278-E322 PolarHBondContact N-OE1 3.46Å; E322-V324 WeakPolarHBondContact O-CG2 3.48Å; E322-V324 PolarHBondContact O-N 3.37Å; E322-V324 VanDerWaalsContact O-N 3.16Å
323	A	93.9	Very high	86.5	Confident	65 Å²	65	30.6 Å²	30.6	54%	0.537	18%	0.176	S	C	.	.	S	Bend	trans	-60.6	119.3	169.8	0	0	0	0	0	110.1	Y255	Y255-A323 WeakPolarHBondContact O-CA 3.44Å
324	V	95.4	Very high	86.5	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.6	-173.4	168.8	0	0	0	0	110.4	H254 Y255 I261 K276 K278 V279 A320 E322	H254-V324 WeakPolarHBondContact CA-O 3.28Å; Y255-V324 PolarHBondContact N-O 2.96Å; Y255-V324 PolarHBondContact O-N 3.08Å; I261-V324 HydrophobicContact CD1-CG1 4.13Å; K276-V324 WeakPolarHBondContact O-CA 3.48Å; K278-V324 WeakPolarHBondContact O-CG2 3.39Å; V279-V324 HydrophobicContact CG1-CB 4.39Å; V279-V324 HydrophobicContact CG1-CG1 3.84Å; V279-V324 HydrophobicContact CG1-CG2 3.83Å; A320-V324 HydrophobicContact CB-CB 4.33Å; A320-V324 HydrophobicContact CB-CG2 4.14Å; E322-V324 WeakPolarHBondContact O-CG2 3.48Å; E322-V324 PolarHBondContact O-N 3.37Å; E322-V324 VanDerWaalsContact O-N 3.16Å
325	T	93.4	Very high	85.9	Confident	15 Å²	15	30.7 Å²	30.7	9%	0.092	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.5	168.3	-51.2	0	0	0	0	108.9	E252 T253 S275 K276	E252-T325 HydrophobicContact CG-CG2 3.36Å; T253-T325 WeakPolarHBondContact O-CA 3.33Å; S275-T325 PolarHBondContact N-O 3.03Å; S275-T325 WeakPolarHBondContact OG-CB 3.46Å; S275-T325 WeakPolarHBondContact OG-CG2 3.47Å; S275-T325 PolarHBondContact OG-O 3.09Å; S275-T325 VanDerWaalsContact OG-O 3.14Å; K276-T325 PolarHBondContact N-O 3.09Å; K276-T325 PolarHBondContact O-N 2.87Å
326	C	92.1	Very high	85.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.1	176.3	-68.9	0	0	0	0	110.7	E252 T253 Y255 F272 I273 V328	E252-C326 WeakPolarHBondContact CA-O 3.48Å; T253-C326 PolarHBondContact N-O 3.04Å; T253-C326 PolarHBondContact O-N 3.44Å; Y255-C326 HydrophobicContact CE2-CB 4.27Å; F272-C326 HydrophobicContact CB-CB 4.47Å; F272-C326 HydrophobicContact CD1-CB 3.98Å; I273-C326 CarbonylContact O-C 3.57Å; I273-C326 WeakPolarHBondContact O-CA 3.34Å; C326-V328 HydrophobicContact CB-CG2 4.39Å
327	L	90.4	Very high	84.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.2	162.1	-53.4	-179.7	0	0	0	108.4	Y225 F228 L250 E251 E252 F272 I273	Y225-L327 HydrophobicContact CD1-CD1 3.91Å; Y225-L327 HydrophobicContact CD1-CD2 4.18Å; Y225-L327 HydrophobicContact CE1-CD1 4.1Å; Y225-L327 HydrophobicContact CE1-CD2 3.5Å; Y225-L327 VanDerWaalsContact CE1-CD2 3.5Å; Y225-L327 HydrophobicContact CE1-CG 4.47Å; Y225-L327 HydrophobicContact CE2-CD2 4.25Å; Y225-L327 HydrophobicContact CG-CD1 4.31Å; F228-L327 HydrophobicContact CD1-CD1 3.62Å; F228-L327 HydrophobicContact CE1-CD1 3.82Å; L250-L327 HydrophobicContact CB-CB 4.29Å; L250-L327 HydrophobicContact CD1-CB 4.39Å; L250-L327 HydrophobicContact CD1-CD1 4.05Å; L250-L327 HydrophobicContact CD2-CB 3.83Å; L250-L327 HydrophobicContact CG-CB 4.37Å; E251-L327 CarbonylContact O-C 3.57Å; E251-L327 VanDerWaalsContact O-CA 3.3Å; E251-L327 WeakPolarHBondContact O-CA 3.47Å; E252-L327 HydrophobicContact CB-CD2 4.27Å; E252-L327 HydrophobicContact CG-CD2 4.24Å; F272-L327 CarbonylContact C-O 3.55Å; F272-L327 WeakPolarHBondContact CA-O 3.38Å; I273-L327 HydrophobicContact CB-CB 4.41Å; I273-L327 PolarHBondContact N-O 2.91Å; I273-L327 PolarHBondContact O-N 3.22Å
328	V	88.3	Confident	83.5	Confident	13 Å²	13	32.7 Å²	32.7	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.8	-169.9	-167.4	0	0	0	0	109.8	E251 T253 T270 F271 F272 C326	E251-V328 PolarHBondContact N-O 3.49Å; E251-V328 PolarHBondContact O-N 3.22Å; T253-V328 HydrophobicContact CG2-CG2 3.69Å; T253-V328 VanDerWaalsContact OG1-CG2 3.23Å; T253-V328 WeakPolarHBondContact OG1-CG2 3.38Å; T270-V328 HydrophobicContact CG2-CG1 4.02Å; F271-V328 WeakPolarHBondContact O-CA 3.34Å; F272-V328 HydrophobicContact CD1-CB 4.36Å; F272-V328 HydrophobicContact CD1-CG1 4.13Å; F272-V328 HydrophobicContact CD1-CG2 3.52Å; F272-V328 HydrophobicContact CE1-CB 4.38Å; F272-V328 HydrophobicContact CE1-CG1 3.85Å; F272-V328 HydrophobicContact CE1-CG2 3.59Å; F272-V328 HydrophobicContact CZ-CG1 4.19Å; C326-V328 HydrophobicContact CB-CG2 4.39Å
329	I	84	Confident	81.7	Confident	5 Å²	5	34 Å²	34	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.5	172.7	-173.4	177	0	0	0	108.8	L246 V249 L250 T270 F271 F334 L337	L246-I329 HydrophobicContact CD2-CD1 3.81Å; V249-I329 HydrophobicContact CG2-CD1 3.49Å; V249-I329 VanDerWaalsContact CG2-CD1 3.49Å; V249-I329 HydrophobicContact CG2-CG1 3.89Å; L250-I329 HydrophobicContact CD2-CB 4.2Å; T270-I329 WeakPolarHBondContact CA-O 3.44Å; F271-I329 HydrophobicContact CB-CG2 3.76Å; F271-I329 HydrophobicContact CD1-CG2 3.61Å; F271-I329 HydrophobicContact CG-CG2 4.12Å; F271-I329 PolarHBondContact N-O 3.46Å; F271-I329 PolarHBondContact O-N 2.93Å; I329-F334 HydrophobicContact CD1-CB 4.02Å; I329-F334 HydrophobicContact CD1-CD2 4.37Å; I329-F334 HydrophobicContact CG1-CB 4.31Å; I329-F334 HydrophobicContact CG2-CB 4.29Å; I329-F334 HydrophobicContact CG2-CD2 3.99Å; I329-L337 HydrophobicContact CD1-CD1 4.31Å
330	D	81.3	Confident	79.6	Confident	53 Å²	53	34.7 Å²	34.7	28%	0.283	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	164.9	176	74.5	88.2	0	0	0	112.1	D269 D332 S333 F334	D269-D330 CarbonylContact O-C 3.19Å; D330-D332 PolarHBondContact O-N 3.15Å; D330-D332 WeakPolarHBondContact OD1-CA 3.38Å; D330-D332 PolarHBondContact OD1-N 3.24Å; D330-S333 PolarHBondContact OD1-N 3.44Å; D330-S333 PolarHBondContact OD1-OG 3.03Å; D330-S333 WeakPolarHBondContact OD2-CB 3.12Å; D330-S333 PolarHBondContact OD2-OG 3.16Å; D330-F334 WeakPolarHBondContact O-CB 3.4Å; D330-F334 PolarHBondContact O-N 3.04Å
331	R	75.1	Confident	76.9	Confident	29 Å²	29	42.4 Å²	42.4	11%	0.109	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-43.7	-175.2	177.7	-172.9	-59	-167.8	8.2	112.9	G268 D269 A307 L308 D312 F334 K335	G268-R331 PolarHBondContact O-NH2 3.3Å; D269-R331 HydrophobicContact CB-CB 3.96Å; D269-R331 WeakPolarHBondContact O-CA 3Å; D269-R331 WeakPolarHBondContact O-CB 3.34Å; D269-R331 PolarHBondContact O-N 2.87Å; A307-R331 PolarHBondContact O-NE 3.01Å; A307-R331 VanDerWaalsContact O-NE 3.16Å; A307-R331 PolarHBondContact O-NH1 2.73Å; A307-R331 PolarHBondContact O-NH2 2.92Å; L308-R331 VanDerWaalsContact CD2-CA 3.41Å; L308-R331 HydrophobicContact CD2-CB 3.53Å; L308-R331 HydrophobicContact CD2-CG 3.67Å; D312-R331 IonicContact OD1-CZ 3.91Å; D312-R331 IonicContact OD1-NH1 3.42Å; D312-R331 PolarHBondContact OD1-NH1 2.8Å; D312-R331 IonicContact OD1-NH2 2.94Å; D312-R331 PolarHBondContact OD1-NH2 2.82Å; R331-F334 PolarHBondContact O-N 2.92Å; R331-K335 HydrophobicContact CG-CD 3.93Å; R331-K335 HydrophobicContact CG-CG 4.23Å; R331-K335 VanDerWaalsContact O-CB 3.29Å; R331-K335 WeakPolarHBondContact O-CB 3.49Å; R331-K335 VanDerWaalsContact O-CG 3.31Å; R331-K335 WeakPolarHBondContact O-CG 3.27Å; R331-K335 PolarHBondContact O-N 2.75Å
332	D	71.1	Confident	74.3	Confident	100 Å²	100	49.3 Å²	49.3	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-69	-46.6	-173.5	-70.2	-23.1	0	0	0	108.1	D330 F334 K335 H336	D330-D332 PolarHBondContact O-N 3.15Å; D330-D332 WeakPolarHBondContact OD1-CA 3.38Å; D330-D332 PolarHBondContact OD1-N 3.24Å; D332-F334 PolarHBondContact O-N 3.46Å; D332-K335 PolarHBondContact O-N 2.85Å; D332-H336 VanDerWaalsContact O-CB 3.25Å; D332-H336 WeakPolarHBondContact O-CB 3.39Å; D332-H336 PolarHBondContact O-CD2 3.49Å; D332-H336 PolarHBondContact O-N 3.16Å
333	S	72.9	Confident	71.5	Confident	3 Å²	3	53 Å²	53	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-56.3	-48.9	172.1	-64.2	0	0	0	0	112.3	D330 K335 H336 L337	D330-S333 PolarHBondContact OD1-N 3.44Å; D330-S333 PolarHBondContact OD1-OG 3.03Å; D330-S333 WeakPolarHBondContact OD2-CB 3.12Å; D330-S333 PolarHBondContact OD2-OG 3.16Å; S333-K335 PolarHBondContact O-N 2.89Å; S333-H336 PolarHBondContact O-N 3.04Å; S333-L337 WeakPolarHBondContact O-CB 3.3Å; S333-L337 VanDerWaalsContact O-CG 3.23Å; S333-L337 WeakPolarHBondContact O-CG 3.23Å; S333-L337 PolarHBondContact O-N 3.28Å
334	F	73.4	Confident	68.4	Low	33 Å²	33	55.7 Å²	55.7	15%	0.145	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-46.1	179.3	-175.1	-83.6	0	0	0	112.4	F271 L308 I329 D330 R331 D332 H336 L337 I338 G339	F271-F334 HydrophobicContact CD1-CD2 4.14Å; F271-F334 HydrophobicContact CD1-CE2 4.13Å; F271-F334 HydrophobicContact CE1-CD2 4.47Å; F271-F334 HydrophobicContact CE1-CE2 4.02Å; F271-F334 HydrophobicContact CE2-CE2 4.48Å; F271-F334 HydrophobicContact CG-CD2 4.33Å; F271-F334 HydrophobicContact CG-CE2 4.39Å; F271-F334 HydrophobicContact CZ-CE2 4.2Å; L308-F334 HydrophobicContact CD1-CB 4.32Å; L308-F334 HydrophobicContact CD1-CD1 3.46Å; L308-F334 VanDerWaalsContact CD1-CD1 3.46Å; L308-F334 HydrophobicContact CD1-CD2 4.22Å; L308-F334 HydrophobicContact CD1-CE1 3.71Å; L308-F334 HydrophobicContact CD1-CE2 4.41Å; L308-F334 HydrophobicContact CD1-CG 3.73Å; L308-F334 HydrophobicContact CD1-CZ 4.18Å; I329-F334 HydrophobicContact CD1-CB 4.02Å; I329-F334 HydrophobicContact CD1-CD2 4.37Å; I329-F334 HydrophobicContact CG1-CB 4.31Å; I329-F334 HydrophobicContact CG2-CB 4.29Å; I329-F334 HydrophobicContact CG2-CD2 3.99Å; D330-F334 WeakPolarHBondContact O-CB 3.4Å; D330-F334 PolarHBondContact O-N 3.04Å; R331-F334 PolarHBondContact O-N 2.92Å; D332-F334 PolarHBondContact O-N 3.46Å; F334-H336 VanDerWaalsContact C-N 3.29Å; F334-H336 PolarHBondContact O-N 3.14Å; F334-L337 PolarHBondContact O-N 3.01Å; F334-I338 HydrophobicContact CD1-CB 4.42Å; F334-I338 HydrophobicContact CD2-CD1 3.68Å; F334-I338 HydrophobicContact CE1-CB 4.06Å; F334-I338 HydrophobicContact CE1-CG2 4.11Å; F334-I338 HydrophobicContact CE2-CB 4.38Å; F334-I338 HydrophobicContact CE2-CD1 3.31Å; F334-I338 HydrophobicContact CE2-CG1 4.43Å; F334-I338 HydrophobicContact CG-CD1 4.42Å; F334-I338 HydrophobicContact CZ-CB 4.04Å; F334-I338 HydrophobicContact CZ-CD1 3.78Å; F334-I338 HydrophobicContact CZ-CG2 3.89Å; F334-I338 PolarHBondContact O-N 3.49Å; F334-G339 PolarHBondContact O-N 3.07Å
335	K	69.5	Low	65.5	Low	85 Å²	85	60.1 Å²	60.1	37%	0.37	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-38.7	178	-78.9	-174.9	178.5	-176	0	111.6	L308 R331 D332 S333 L337 G339	L308-K335 WeakPolarHBondContact O-CE 3.25Å; L308-K335 PolarHBondContact O-NZ 3.47Å; R331-K335 HydrophobicContact CG-CD 3.93Å; R331-K335 HydrophobicContact CG-CG 4.23Å; R331-K335 VanDerWaalsContact O-CB 3.29Å; R331-K335 WeakPolarHBondContact O-CB 3.49Å; R331-K335 VanDerWaalsContact O-CG 3.31Å; R331-K335 WeakPolarHBondContact O-CG 3.27Å; R331-K335 PolarHBondContact O-N 2.75Å; D332-K335 PolarHBondContact O-N 2.85Å; S333-K335 PolarHBondContact O-N 2.89Å; K335-L337 VanDerWaalsContact C-N 3.32Å; K335-G339 VanDerWaalsContact O-CA 3.24Å; K335-G339 WeakPolarHBondContact O-CA 3.35Å; K335-G339 PolarHBondContact O-N 3.47Å
336	H	70.7	Confident	62.6	Low	81 Å²	81	65 Å²	65	38%	0.375	36%	0.361	S	S	.	.	H	α-helix	trans	-71.8	-25.1	179.2	-72.2	-45.6	0	0	0	113.6	D332 S333 F334 L621 K622	D332-H336 VanDerWaalsContact O-CB 3.25Å; D332-H336 WeakPolarHBondContact O-CB 3.39Å; D332-H336 PolarHBondContact O-CD2 3.49Å; D332-H336 PolarHBondContact O-N 3.16Å; S333-H336 PolarHBondContact O-N 3.04Å; F334-H336 VanDerWaalsContact C-N 3.29Å; F334-H336 PolarHBondContact O-N 3.14Å; H336-L621 HydrophobicContact CB-CB 4.45Å; H336-L621 HydrophobicContact CB-CD2 4.03Å; H336-K622 WeakPolarHBondContact O-CB 3.38Å; H336-K622 PolarHBondContact O-N 3.46Å
337	L	69.1	Low	59.8	Low	11 Å²	11	74.2 Å²	74.2	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-96.3	-39.6	179.9	-65.7	174.4	0	0	0	113.2	K245 L246 V249 I329 S333 F334 K335	K245-L337 HydrophobicContact CB-CD2 3.82Å; K245-L337 HydrophobicContact CD-CD2 4.01Å; K245-L337 HydrophobicContact CG-CD2 4.5Å; L246-L337 HydrophobicContact CD2-CB 4.09Å; L246-L337 HydrophobicContact CD2-CD1 3.78Å; L246-L337 HydrophobicContact CG-CD1 4.36Å; V249-L337 HydrophobicContact CG1-CD1 4.4Å; V249-L337 HydrophobicContact CG2-CD1 3.77Å; I329-L337 HydrophobicContact CD1-CD1 4.31Å; S333-L337 WeakPolarHBondContact O-CB 3.3Å; S333-L337 VanDerWaalsContact O-CG 3.23Å; S333-L337 WeakPolarHBondContact O-CG 3.23Å; S333-L337 PolarHBondContact O-N 3.28Å; F334-L337 PolarHBondContact O-N 3.01Å; K335-L337 VanDerWaalsContact C-N 3.32Å
338	I	64.7	Low	57.3	Low	33 Å²	33	77.3 Å²	77.3	17%	0.169	43%	0.433	C	S	.	.	H	α-helix	trans	-120.9	-21.2	-170.4	-60.6	163.7	0	0	0	112.8	F235 L246 F334 G340	F235-I338 HydrophobicContact CD1-CD1 4.48Å; F235-I338 HydrophobicContact CE1-CD1 4Å; L246-I338 HydrophobicContact CD1-CD1 3.73Å; L246-I338 HydrophobicContact CD1-CG1 4.12Å; L246-I338 HydrophobicContact CD2-CD1 3.51Å; L246-I338 HydrophobicContact CD2-CG1 4.08Å; L246-I338 HydrophobicContact CG-CD1 4.23Å; F334-I338 HydrophobicContact CD1-CB 4.42Å; F334-I338 HydrophobicContact CD2-CD1 3.68Å; F334-I338 HydrophobicContact CE1-CB 4.06Å; F334-I338 HydrophobicContact CE1-CG2 4.11Å; F334-I338 HydrophobicContact CE2-CB 4.38Å; F334-I338 HydrophobicContact CE2-CD1 3.31Å; F334-I338 HydrophobicContact CE2-CG1 4.43Å; F334-I338 HydrophobicContact CG-CD1 4.42Å; F334-I338 HydrophobicContact CZ-CB 4.04Å; F334-I338 HydrophobicContact CZ-CD1 3.78Å; F334-I338 HydrophobicContact CZ-CG2 3.89Å; F334-I338 PolarHBondContact O-N 3.49Å; I338-G340 PolarHBondContact O-N 3.32Å
339	G	52.9	Low	55.1	Low	36 Å²	36	82.1 Å²	82.1	37%	0.371	45%	0.454	S	S	.	.	S	Bend	trans	-63	92.5	-171.7	0	0	0	0	0	114.9	F334 K335 K622	F334-G339 PolarHBondContact O-N 3.07Å; K335-G339 VanDerWaalsContact O-CA 3.24Å; K335-G339 WeakPolarHBondContact O-CA 3.35Å; K335-G339 PolarHBondContact O-N 3.47Å; G339-K622 PolarHBondContact O-NZ 2.79Å
340	G	50	Low	53.1	Low	42 Å²	42	89.9 Å²	89.9	43%	0.433	49%	0.491	S	S	.	.			trans	121.7	88.7	165.8	0	0	0	0	0	113.4	I338 E342 K622	I338-G340 PolarHBondContact O-N 3.32Å; G340-E342 PolarHBondContact O-N 3.15Å; G340-K622 WeakPolarHBondContact O-CE 3.21Å; G340-K622 PolarHBondContact O-NZ 2.61Å
341	L	39.7	Very low	51.3	Low	163 Å²	163	94.4 Å²	94.4	85%	0.853	52%	0.515	S	S	*	.			trans	-77.1	55.9	171.6	-80.3	159.4	0	0	0	111.8
342	E	36.6	Very low	50	Low	180 Å²	180	96.1 Å²	96.1	84%	0.841	54%	0.535	S	S	*	.			trans	-123.4	117.1	170	-73	-171.8	174.8	0	0	110.8	G340	G340-E342 PolarHBondContact O-N 3.15Å
343	D	36.5	Very low	49.1	Very low	162 Å²	162	95.6 Å²	95.6	87%	0.866	53%	0.532	S	S	*	.			trans	-49.2	134.8	-174.5	-72.1	-48.3	0	0	0	114.4
344	V	30.4	Very low	48.2	Very low	122 Å²	122	98 Å²	98	74%	0.739	55%	0.553	S	S	*	*			trans	-118.3	91.6	153	-174.2	0	0	0	0	108.3	N346	V344-N346 PolarHBondContact O-N 2.87Å; V344-N346 VanDerWaalsContact O-N 3.15Å
345	S	33.8	Very low	47.4	Very low	95 Å²	95	103.9 Å²	103.9	66%	0.664	58%	0.578	S	S	*	*			trans	-55.3	111.7	168.8	55.3	0	0	0	0	110.8	K347	S345-K347 VanDerWaalsContact C-N 3.32Å; S345-K347 PolarHBondContact O-N 3.16Å; S345-K347 VanDerWaalsContact O-N 3.14Å
346	N	32.8	Very low	47	Very low	119 Å²	119	100.5 Å²	100.5	64%	0.636	57%	0.566	S	S	*	*			trans	-86.3	73.8	174.4	-128.8	13.1	0	0	0	108.5	V344	V344-N346 PolarHBondContact O-N 2.87Å; V344-N346 VanDerWaalsContact O-N 3.15Å
347	K	33.8	Very low	46.6	Very low	192 Å²	192	100.8 Å²	100.8	84%	0.835	57%	0.571	S	S	*	*			trans	-106.1	35	179.8	-85.5	-170.8	173	-178.2	0	114	S345	S345-K347 VanDerWaalsContact C-N 3.32Å; S345-K347 PolarHBondContact O-N 3.16Å; S345-K347 VanDerWaalsContact O-N 3.14Å
348	G	36.5	Very low	46.2	Very low	67 Å²	67	105.5 Å²	105.5	69%	0.691	60%	0.596	S	S	*	*	S	Bend	trans	-118.5	0.3	-173.8	0	0	0	0	0	117.5
349	H	43.2	Very low	46.4	Very low	113 Å²	113	112.5 Å²	112.5	52%	0.523	62%	0.62	S	S	.	*			trans	-106.4	-11.7	-167.4	-70.3	82.9	0	0	0	115.4	D351 A352 D353	H349-D351 PolarHBondContact O-N 3.29Å; H349-A352 PolarHBondContact O-N 2.95Å; H349-D353 PolarHBondContact O-N 3.06Å
350	E	41.3	Very low	47.4	Very low	168 Å²	168	114.4 Å²	114.4	79%	0.785	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-31.5	-168.6	-65.2	179.2	174.5	0	0	114.4
351	D	42.6	Very low	48.5	Very low	149 Å²	149	118.8 Å²	118.8	80%	0.797	63%	0.626	S	S	*	*	H	α-helix	trans	-81.4	-24.8	-177.8	-81.2	-24.4	0	0	0	114.3	H349	H349-D351 PolarHBondContact O-N 3.29Å
352	A	49.7	Very low	50.2	Low	65 Å²	65	114 Å²	114	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-79	-38	177.6	0	0	0	0	0	111.4	H349 A354 K355 A356	H349-A352 PolarHBondContact O-N 2.95Å; A352-A354 VanDerWaalsContact C-N 3.35Å; A352-A354 PolarHBondContact O-N 3.18Å; A352-K355 PolarHBondContact O-N 2.86Å; A352-A356 WeakPolarHBondContact O-CB 3.2Å; A352-A356 PolarHBondContact O-N 3.29Å; A352-A356 VanDerWaalsContact O-N 3.15Å
353	D	52.1	Low	52.4	Low	88 Å²	88	108.3 Å²	108.3	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-64.7	-36.5	-179.1	-70.4	-21.2	0	0	0	112.1	H349 K355 A356 N357	H349-D353 PolarHBondContact O-N 3.06Å; D353-K355 PolarHBondContact O-N 2.75Å; D353-A356 PolarHBondContact O-N 2.9Å; D353-N357 WeakPolarHBondContact O-CB 3.14Å; D353-N357 PolarHBondContact O-N 3.16Å; D353-N357 PolarHBondContact O-ND2 3.05Å; D353-N357 PolarHBondContact O-OD1 3.14Å
354	A	53.4	Low	54.5	Low	55 Å²	55	104.1 Å²	104.1	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-39.6	178.7	0	0	0	0	0	113.5	A352 N358	A352-A354 VanDerWaalsContact C-N 3.35Å; A352-A354 PolarHBondContact O-N 3.18Å; A354-N358 PolarHBondContact O-N 3.32Å
355	K	56.2	Low	57	Low	156 Å²	156	100.9 Å²	100.9	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-76.1	-26.4	176.2	-76.6	-178.8	-178.2	171.3	0	112.9	A352 D353 R359	A352-K355 PolarHBondContact O-N 2.86Å; D353-K355 PolarHBondContact O-N 2.75Å; K355-R359 PolarHBondContact O-NE 2.94Å
356	A	61	Low	59.6	Low	14 Å²	14	100.2 Å²	100.2	12%	0.116	53%	0.533	C	S	.	.	H	α-helix	trans	-70.2	-48	173.2	0	0	0	0	0	109.8	A352 D353 N358 R359 Y360	A352-A356 WeakPolarHBondContact O-CB 3.2Å; A352-A356 PolarHBondContact O-N 3.29Å; A352-A356 VanDerWaalsContact O-N 3.15Å; D353-A356 PolarHBondContact O-N 2.9Å; A356-N358 PolarHBondContact O-N 3.41Å; A356-R359 PolarHBondContact O-N 3.38Å; A356-Y360 VanDerWaalsContact C-CE2 3.4Å; A356-Y360 HydrophobicContact CB-CD2 4.35Å; A356-Y360 HydrophobicContact CB-CE2 3.48Å; A356-Y360 VanDerWaalsContact CB-CE2 3.48Å; A356-Y360 WeakPolarHBondContact O-CD2 3.48Å; A356-Y360 WeakPolarHBondContact O-CE2 3.33Å; A356-Y360 PolarHBondContact O-N 2.72Å
357	N	61.9	Low	62.3	Low	87 Å²	87	95.2 Å²	95.2	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-55.3	-45.8	178.7	-73.4	-11.4	0	0	0	113.6	D353 R359 Y360 E361	D353-N357 WeakPolarHBondContact O-CB 3.14Å; D353-N357 PolarHBondContact O-N 3.16Å; D353-N357 PolarHBondContact O-ND2 3.05Å; D353-N357 PolarHBondContact O-OD1 3.14Å; N357-R359 VanDerWaalsContact C-N 3.31Å; N357-R359 PolarHBondContact O-N 2.95Å; N357-Y360 WeakPolarHBondContact O-CB 3.22Å; N357-Y360 PolarHBondContact O-N 2.79Å; N357-Y360 VanDerWaalsContact O-N 3.14Å; N357-E361 PolarHBondContact O-N 2.9Å
358	N	61.9	Low	64.9	Low	110 Å²	110	93 Å²	93	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-63.4	-34	177.5	-75.2	-17.1	0	0	0	113.6	A354 A356 A362	A354-N358 PolarHBondContact O-N 3.32Å; A356-N358 PolarHBondContact O-N 3.41Å; N358-A362 PolarHBondContact O-N 2.82Å
359	R	68.6	Low	67.4	Low	180 Å²	180	95.4 Å²	95.4	68%	0.679	49%	0.493	S	S	*	.	H	α-helix	trans	-71.4	-36.2	174.8	-82.6	-175.5	-80.3	172	-2.5	111.3	K355 A356 N357 A362 E363	K355-R359 PolarHBondContact O-NE 2.94Å; A356-R359 PolarHBondContact O-N 3.38Å; N357-R359 VanDerWaalsContact C-N 3.31Å; N357-R359 PolarHBondContact O-N 2.95Å; R359-A362 PolarHBondContact O-N 2.86Å; R359-E363 WeakPolarHBondContact O-CB 3.34Å; R359-E363 PolarHBondContact O-N 3.22Å
360	Y	73.3	Confident	69.7	Low	76 Å²	76	90.8 Å²	90.8	30%	0.298	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-40.1	178	-56.6	-37.5	0	0	0	112.7	A356 N357 A362 E363 N364 H432	A356-Y360 VanDerWaalsContact C-CE2 3.4Å; A356-Y360 HydrophobicContact CB-CD2 4.35Å; A356-Y360 HydrophobicContact CB-CE2 3.48Å; A356-Y360 VanDerWaalsContact CB-CE2 3.48Å; A356-Y360 WeakPolarHBondContact O-CD2 3.48Å; A356-Y360 WeakPolarHBondContact O-CE2 3.33Å; A356-Y360 PolarHBondContact O-N 2.72Å; N357-Y360 WeakPolarHBondContact O-CB 3.22Å; N357-Y360 PolarHBondContact O-N 2.79Å; N357-Y360 VanDerWaalsContact O-N 3.14Å; Y360-A362 VanDerWaalsContact C-N 3.34Å; Y360-A362 PolarHBondContact O-N 3.33Å; Y360-E363 PolarHBondContact O-N 3.11Å; Y360-N364 VanDerWaalsContact O-CB 3.31Å; Y360-N364 WeakPolarHBondContact O-CB 3.48Å; Y360-N364 PolarHBondContact O-N 2.95Å; Y360-N364 PolarHBondContact O-ND2 2.95Å; Y360-H432 AromaticContact CD1-CE1 3.99Å; Y360-H432 AromaticContact CD1-ND1 3.67Å; Y360-H432 AromaticContact CE1-ND1 3.66Å; Y360-H432 AromaticContact CG-CE1 3.89Å; Y360-H432 AromaticContact CG-ND1 3.92Å; Y360-H432 AromaticContact CZ-ND1 3.89Å
361	E	73.4	Confident	72.3	Confident	133 Å²	133	87.2 Å²	87.2	62%	0.621	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-42.7	176	-72.6	179.8	179.8	0	0	111.8	N357 N364 A365	N357-E361 PolarHBondContact O-N 2.9Å; E361-N364 PolarHBondContact O-N 3.38Å; E361-A365 WeakPolarHBondContact O-CB 3.48Å; E361-A365 PolarHBondContact O-N 3.44Å
362	A	75.5	Confident	74.7	Confident	64 Å²	64	82.7 Å²	82.7	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-66	-41.4	176.3	0	0	0	0	0	112.5	N358 R359 Y360 A365 F366	N358-A362 PolarHBondContact O-N 2.82Å; R359-A362 PolarHBondContact O-N 2.86Å; Y360-A362 VanDerWaalsContact C-N 3.34Å; Y360-A362 PolarHBondContact O-N 3.33Å; A362-A365 PolarHBondContact O-N 3.16Å; A362-F366 PolarHBondContact O-N 2.91Å
363	E	82.1	Confident	76.9	Confident	59 Å²	59	83 Å²	83	28%	0.276	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-51.3	174.4	-175.6	179	-108	0	0	111	R359 Y360 A365 F366 F367 R438	R359-E363 WeakPolarHBondContact O-CB 3.34Å; R359-E363 PolarHBondContact O-N 3.22Å; Y360-E363 PolarHBondContact O-N 3.11Å; E363-A365 VanDerWaalsContact C-N 3.3Å; E363-A365 PolarHBondContact O-N 3.31Å; E363-F366 WeakPolarHBondContact O-CB 3.41Å; E363-F366 PolarHBondContact O-N 2.88Å; E363-F366 VanDerWaalsContact O-N 3.11Å; E363-F367 HydrophobicContact CG-CD2 3.69Å; E363-F367 HydrophobicContact CG-CE2 3.55Å; E363-F367 WeakPolarHBondContact O-CD2 3.45Å; E363-F367 PolarHBondContact O-N 3.32Å; E363-R438 IonicContact OE2-NE 2.77Å; E363-R438 PolarHBondContact OE2-NE 3.37Å; E363-R438 IonicContact OE2-NH2 3.13Å
364	N	81.1	Confident	79	Confident	75 Å²	75	81.4 Å²	81.4	40%	0.401	43%	0.427	S	S	.	.	H	α-helix	trans	-58.7	-42	178.3	-74.1	-16.7	0	0	0	111.4	Y360 E361 F366 F367 F368	Y360-N364 VanDerWaalsContact O-CB 3.31Å; Y360-N364 WeakPolarHBondContact O-CB 3.48Å; Y360-N364 PolarHBondContact O-N 2.95Å; Y360-N364 PolarHBondContact O-ND2 2.95Å; E361-N364 PolarHBondContact O-N 3.38Å; N364-F366 VanDerWaalsContact C-N 3.35Å; N364-F366 PolarHBondContact O-N 3.18Å; N364-F367 PolarHBondContact O-N 2.68Å; N364-F368 WeakPolarHBondContact O-CB 3.27Å; N364-F368 PolarHBondContact O-N 3.23Å
365	A	82.9	Confident	81.1	Confident	54 Å²	54	79.5 Å²	79.5	45%	0.446	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-37	177	0	0	0	0	0	112.9	E361 A362 E363 N369	E361-A365 WeakPolarHBondContact O-CB 3.48Å; E361-A365 PolarHBondContact O-N 3.44Å; A362-A365 PolarHBondContact O-N 3.16Å; E363-A365 VanDerWaalsContact C-N 3.3Å; E363-A365 PolarHBondContact O-N 3.31Å; A365-N369 PolarHBondContact O-ND2 2.73Å
366	F	89	Confident	83	Confident	81 Å²	81	75.4 Å²	75.4	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-53.1	174.1	172.7	-98.9	0	0	0	110.9	A362 E363 N364 F368 N369 L370 L394	A362-F366 PolarHBondContact O-N 2.91Å; E363-F366 WeakPolarHBondContact O-CB 3.41Å; E363-F366 PolarHBondContact O-N 2.88Å; E363-F366 VanDerWaalsContact O-N 3.11Å; N364-F366 VanDerWaalsContact C-N 3.35Å; N364-F366 PolarHBondContact O-N 3.18Å; F366-F368 VanDerWaalsContact C-N 3.33Å; F366-F368 PolarHBondContact O-N 2.92Å; F366-N369 PolarHBondContact O-N 2.94Å; F366-L370 HydrophobicContact CE1-CD1 4.08Å; F366-L370 HydrophobicContact CZ-CD1 4.49Å; F366-L394 HydrophobicContact CZ-CD2 3.96Å
367	F	89.6	Confident	84.7	Confident	13 Å²	13	80 Å²	80	6%	0.057	42%	0.416	C	S	.	.	H	α-helix	trans	-69.3	-29.4	-176.8	-73.5	-73.4	0	0	0	113.3	E363 N364 N369 L370 F402 Y440 R441 L452	E363-F367 HydrophobicContact CG-CD2 3.69Å; E363-F367 HydrophobicContact CG-CE2 3.55Å; E363-F367 WeakPolarHBondContact O-CD2 3.45Å; E363-F367 PolarHBondContact O-N 3.32Å; N364-F367 PolarHBondContact O-N 2.68Å; F367-N369 PolarHBondContact O-N 3.31Å; F367-L370 HydrophobicContact CD1-CD1 3.77Å; F367-L370 HydrophobicContact CE1-CD1 4.27Å; F367-L370 PolarHBondContact O-N 3.42Å; F367-F402 HydrophobicContact CE1-CD1 4.36Å; F367-F402 AromaticContact CE1-CE1 3.49Å; F367-F402 HydrophobicContact CE1-CE1 3.49Å; F367-F402 VanDerWaalsContact CE1-CE1 3.49Å; F367-F402 HydrophobicContact CE1-CE2 4.47Å; F367-F402 AromaticContact CE1-CZ 3.56Å; F367-F402 HydrophobicContact CE1-CZ 3.56Å; F367-F402 AromaticContact CZ-CE1 3.58Å; F367-F402 HydrophobicContact CZ-CE1 3.58Å; F367-F402 AromaticContact CZ-CZ 3.83Å; F367-F402 HydrophobicContact CZ-CZ 3.83Å; F367-Y440 HydrophobicContact CD1-CG 4.23Å; F367-Y440 AromaticContact CD2-CD1 3.78Å; F367-Y440 HydrophobicContact CD2-CD1 3.78Å; F367-Y440 HydrophobicContact CD2-CG 4.1Å; F367-Y440 HydrophobicContact CE1-CD1 4.28Å; F367-Y440 HydrophobicContact CE1-CD2 4.2Å; F367-Y440 AromaticContact CE1-CG 3.89Å; F367-Y440 HydrophobicContact CE1-CG 3.89Å; F367-Y440 AromaticContact CE2-CD1 3.29Å; F367-Y440 HydrophobicContact CE2-CD1 3.29Å; F367-Y440 AromaticContact CE2-CE1 3.78Å; F367-Y440 HydrophobicContact CE2-CE1 3.78Å; F367-Y440 AromaticContact CE2-CG 3.75Å; F367-Y440 HydrophobicContact CE2-CG 3.75Å; F367-Y440 HydrophobicContact CG-CD1 4.48Å; F367-Y440 HydrophobicContact CG-CG 4.35Å; F367-Y440 AromaticContact CZ-CD1 3.59Å; F367-Y440 HydrophobicContact CZ-CD1 3.59Å; F367-Y440 HydrophobicContact CZ-CD2 4.06Å; F367-Y440 AromaticContact CZ-CE1 3.95Å; F367-Y440 HydrophobicContact CZ-CE1 3.95Å; F367-Y440 HydrophobicContact CZ-CE2 4.37Å; F367-Y440 AromaticContact CZ-CG 3.65Å; F367-Y440 HydrophobicContact CZ-CG 3.65Å; F367-R441 HydrophobicContact CB-CB 4.48Å; F367-R441 WeakPolarHBondContact O-CD 3.41Å; F367-R441 PolarHBondContact O-NH1 2.96Å; F367-L452 HydrophobicContact CD1-CD2 3.95Å; F367-L452 HydrophobicContact CE1-CD2 4.16Å
368	F	87.7	Confident	86.3	Confident	145 Å²	145	79 Å²	79	64%	0.636	41%	0.41	S	S	*	.	H	α-helix	trans	-62.8	-19.6	178.4	-174.9	-93.1	0	0	0	114.3	N364 F366 R441	N364-F368 WeakPolarHBondContact O-CB 3.27Å; N364-F368 PolarHBondContact O-N 3.23Å; F366-F368 VanDerWaalsContact C-N 3.33Å; F366-F368 PolarHBondContact O-N 2.92Å; F368-R441 PolarHBondContact O-NH1 2.95Å; F368-R441 PolarHBondContact O-NH2 3.12Å
369	N	88.5	Confident	87.9	Confident	119 Å²	119	76.2 Å²	76.2	64%	0.636	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.6	179.5	-68.8	-55.4	0	0	0	114.2	A365 F366 F367	A365-N369 PolarHBondContact O-ND2 2.73Å; F366-N369 PolarHBondContact O-N 2.94Å; F367-N369 PolarHBondContact O-N 3.31Å
370	L	92.6	Very high	89.1	Confident	16 Å²	16	68 Å²	68	8%	0.084	37%	0.365	C	S	.	.			trans	-77.2	157.3	-179.9	-60	-179.3	0	0	0	112.4	F366 F367 D374 F375 L394 R441 F443	F366-L370 HydrophobicContact CE1-CD1 4.08Å; F366-L370 HydrophobicContact CZ-CD1 4.49Å; F367-L370 HydrophobicContact CD1-CD1 3.77Å; F367-L370 HydrophobicContact CE1-CD1 4.27Å; F367-L370 PolarHBondContact O-N 3.42Å; L370-D374 WeakPolarHBondContact CA-OD2 3.49Å; L370-F375 HydrophobicContact CB-CE2 4.33Å; L370-F375 HydrophobicContact CB-CZ 4.34Å; L370-F375 HydrophobicContact CD1-CZ 3.78Å; L370-L394 HydrophobicContact CD1-CD1 4.22Å; L370-L394 HydrophobicContact CD2-CD1 4.01Å; L370-R441 PolarHBondContact O-NH1 3.26Å; L370-F443 WeakPolarHBondContact O-CE1 3.27Å
371	N	94.4	Very high	90.1	Very high	92 Å²	92	65 Å²	65	49%	0.492	35%	0.354	S	S	.	.			trans	-130.8	163.4	174.1	-60	-68.9	0	0	0	110	A373 D374 F375	N371-A373 PolarHBondContact O-N 2.82Å; N371-A373 VanDerWaalsContact O-N 3.16Å; N371-D374 PolarHBondContact N-OD2 3.38Å; N371-D374 WeakPolarHBondContact O-CB 3.41Å; N371-D374 PolarHBondContact O-N 2.89Å; N371-F375 WeakPolarHBondContact O-CD2 3.44Å; N371-F375 WeakPolarHBondContact O-CE2 3.4Å
372	L	94.3	Very high	90.8	Very high	54 Å²	54	59.2 Å²	59.2	28%	0.283	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36.2	176.6	-73	173.2	0	0	0	112.7	D374 F375 M404 F443 Y450	L372-D374 PolarHBondContact O-N 3.41Å; L372-F375 PolarHBondContact O-N 3.37Å; L372-M404 HydrophobicContact CD2-CE 4.12Å; L372-M404 HydrophobicContact CD2-SD 3.96Å; L372-F443 HydrophobicContact CD1-CB 3.96Å; L372-F443 HydrophobicContact CD2-CB 3.75Å; L372-F443 HydrophobicContact CD2-CD1 4.48Å; L372-F443 HydrophobicContact CD2-CD2 3.54Å; L372-F443 HydrophobicContact CD2-CE2 4.24Å; L372-F443 HydrophobicContact CD2-CG 3.68Å; L372-F443 HydrophobicContact CG-CB 3.71Å; L372-F443 HydrophobicContact CG-CD1 4.25Å; L372-F443 HydrophobicContact CG-CD2 4.18Å; L372-F443 HydrophobicContact CG-CG 3.81Å; L372-Y450 HydrophobicContact CD1-CD2 3.74Å; L372-Y450 HydrophobicContact CD1-CE1 4.47Å; L372-Y450 HydrophobicContact CD1-CE2 3.6Å; L372-Y450 HydrophobicContact CD1-CG 4.25Å; L372-Y450 HydrophobicContact CD2-CD1 3.81Å; L372-Y450 HydrophobicContact CD2-CD2 4.05Å; L372-Y450 HydrophobicContact CD2-CE1 4.27Å; L372-Y450 HydrophobicContact CD2-CE2 4.49Å; L372-Y450 HydrophobicContact CD2-CG 3.7Å
373	A	95.9	Very high	91.3	Very high	71 Å²	71	60.2 Å²	60.2	59%	0.587	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-67.2	-12.9	178.9	0	0	0	0	0	114.1	N371 F375 K395	N371-A373 PolarHBondContact O-N 2.82Å; N371-A373 VanDerWaalsContact O-N 3.16Å; A373-F375 PolarHBondContact O-N 3.03Å; A373-K395 WeakPolarHBondContact O-CD 3.45Å; A373-K395 WeakPolarHBondContact O-CE 3.22Å; A373-K395 PolarHBondContact O-NZ 3.15Å
374	D	96.3	Very high	91.1	Very high	55 Å²	55	59.8 Å²	59.8	29%	0.294	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-81.5	-4.2	179.6	-60.7	-36.2	0	0	0	112.8	L370 N371 L372 L394 K395	L370-D374 WeakPolarHBondContact CA-OD2 3.49Å; N371-D374 PolarHBondContact N-OD2 3.38Å; N371-D374 WeakPolarHBondContact O-CB 3.41Å; N371-D374 PolarHBondContact O-N 2.89Å; L372-D374 PolarHBondContact O-N 3.41Å; D374-L394 HydrophobicContact CB-CD1 4.14Å; D374-K395 WeakPolarHBondContact O-CB 3.35Å; D374-K395 WeakPolarHBondContact O-CG 3.49Å; D374-K395 PolarHBondContact O-N 3.31Å
375	F	97.4	Very high	90.8	Very high	16 Å²	16	59.2 Å²	59.2	7%	0.07	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146	-176.7	-60.6	-80.2	0	0	0	112.4	L370 N371 L372 A373 V392 Q393 L394 K395 F402 M404 F443 L452	L370-F375 HydrophobicContact CB-CE2 4.33Å; L370-F375 HydrophobicContact CB-CZ 4.34Å; L370-F375 HydrophobicContact CD1-CZ 3.78Å; N371-F375 WeakPolarHBondContact O-CD2 3.44Å; N371-F375 WeakPolarHBondContact O-CE2 3.4Å; L372-F375 PolarHBondContact O-N 3.37Å; A373-F375 PolarHBondContact O-N 3.03Å; F375-V392 HydrophobicContact CB-CB 4.16Å; F375-V392 HydrophobicContact CB-CG2 4.44Å; F375-V392 HydrophobicContact CD1-CB 4.4Å; F375-V392 HydrophobicContact CD1-CG2 3.9Å; F375-V392 HydrophobicContact CG-CG2 4.32Å; F375-Q393 CarbonylContact C-O 3.51Å; F375-Q393 WeakPolarHBondContact CA-O 3.48Å; F375-L394 HydrophobicContact CD1-CD1 4.22Å; F375-L394 HydrophobicContact CE1-CB 4.42Å; F375-L394 HydrophobicContact CE1-CD1 3.82Å; F375-L394 HydrophobicContact CZ-CD1 4.19Å; F375-K395 WeakPolarHBondContact O-CE 3.34Å; F375-F402 HydrophobicContact CD1-CD2 4.39Å; F375-F402 AromaticContact CE1-CD2 3.76Å; F375-F402 HydrophobicContact CE1-CD2 3.76Å; F375-F402 HydrophobicContact CE1-CE2 4.06Å; F375-M404 HydrophobicContact CB-CE 4.37Å; F375-M404 HydrophobicContact CD2-CE 3.94Å; F375-M404 HydrophobicContact CE2-CE 4.45Å; F375-M404 HydrophobicContact CG-CE 4.1Å; F375-F443 HydrophobicContact CE2-CE2 4.27Å; F375-F443 HydrophobicContact CE2-CZ 4.01Å; F375-L452 HydrophobicContact CE1-CD1 3.95Å; F375-L452 HydrophobicContact CE1-CD2 4.22Å; F375-L452 HydrophobicContact CE2-CD1 4.47Å; F375-L452 HydrophobicContact CE2-CD2 4.34Å; F375-L452 HydrophobicContact CZ-CD1 3.92Å; F375-L452 HydrophobicContact CZ-CD2 3.6Å; F375-L452 HydrophobicContact CZ-CG 4.44Å
376	N	96.6	Very high	90.5	Very high	69 Å²	69	59.8 Å²	59.8	37%	0.369	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.8	164.6	-70	-33.5	0	0	0	108.7	I378 V392 Q393 K395	N376-I378 HydrophobicContact CB-CD1 4.49Å; N376-V392 CarbonylContact O-C 3.59Å; N376-V392 WeakPolarHBondContact O-CA 3.16Å; N376-Q393 PolarHBondContact N-O 3.16Å; N376-Q393 PolarHBondContact O-N 3.34Å; N376-K395 WeakPolarHBondContact OD1-CE 3.45Å
377	I	95.8	Very high	90.4	Very high	111 Å²	111	56.7 Å²	56.7	57%	0.569	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.3	170.4	-62	161.8	0	0	0	108	E390 V392	I377-E390 WeakPolarHBondContact CD1-OE2 3.4Å; I377-E390 VanDerWaalsContact CG1-OE2 3.3Å; I377-E390 WeakPolarHBondContact CG1-OE2 3.41Å; I377-E390 HydrophobicContact CG2-CB 4.2Å; I377-E390 HydrophobicContact CG2-CG 4.44Å; I377-E390 WeakPolarHBondContact CG2-OE2 3.32Å; I377-V392 HydrophobicContact CG1-CG1 4.24Å
378	I	95.6	Very high	90.5	Very high	65 Å²	65	57.2 Å²	57.2	33%	0.333	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-57.1	-177.2	-57.8	-58.2	0	0	0	110.5	N376 L391 Q393 V659	N376-I378 HydrophobicContact CB-CD1 4.49Å; I378-L391 HydrophobicContact CB-CB 4.32Å; I378-L391 HydrophobicContact CB-CD2 4.35Å; I378-L391 HydrophobicContact CB-CG 4.25Å; I378-L391 WeakPolarHBondContact CB-O 3.48Å; I378-L391 HydrophobicContact CG2-CD2 4.18Å; I378-L391 PolarHBondContact N-O 3.41Å; I378-Q393 HydrophobicContact CD1-CB 3.83Å; I378-Q393 HydrophobicContact CG1-CB 3.86Å; I378-V659 HydrophobicContact CD1-CG1 4.35Å; I378-V659 HydrophobicContact CG1-CG1 4.21Å; I378-V659 HydrophobicContact CG2-CB 4.01Å; I378-V659 HydrophobicContact CG2-CG1 4.21Å
379	D	95	Very high	90.9	Very high	52 Å²	52	52.1 Å²	52.1	28%	0.278	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	165.1	-175.1	-164.2	8.5	0	0	0	110.9	E390 L391 T661	D379-E390 CarbonylContact O-C 3.2Å; D379-E390 WeakPolarHBondContact O-CA 3.3Å; D379-L391 PolarHBondContact O-N 3.39Å; D379-T661 HydrophobicContact CB-CG2 3.91Å; D379-T661 WeakPolarHBondContact OD2-CB 3.24Å; D379-T661 PolarHBondContact OD2-OG1 3.49Å
380	T	94.6	Very high	91.3	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.4	177.6	-54	0	0	0	0	110.1	V383 R388 F667	T380-V383 HydrophobicContact CG2-CG2 4.07Å; T380-R388 PolarHBondContact OG1-NH1 2.85Å; T380-R388 PolarHBondContact OG1-NH2 3.44Å; T380-F667 HydrophobicContact CG2-CB 3.79Å; T380-F667 HydrophobicContact CG2-CD2 4.21Å; T380-F667 HydrophobicContact CG2-CG 4.2Å
381	L	92.9	Very high	91.5	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-27.5	177.8	-61.4	179.2	0	0	0	112.7	V389 L391 A403 T661 F664	L381-V389 HydrophobicContact CB-CG1 4.32Å; L381-V389 HydrophobicContact CD1-CG1 4.41Å; L381-V389 PolarHBondContact N-O 3.18Å; L381-L391 HydrophobicContact CD1-CB 4.06Å; L381-L391 HydrophobicContact CD1-CD1 4.33Å; L381-L391 HydrophobicContact CD2-CB 3.99Å; L381-L391 HydrophobicContact CG-CB 3.91Å; L381-A403 HydrophobicContact CD1-CB 4.08Å; L381-T661 HydrophobicContact CD2-CG2 3.64Å; L381-F664 HydrophobicContact CB-CD1 4.18Å; L381-F664 HydrophobicContact CB-CE1 4.19Å; L381-F664 HydrophobicContact CD2-CD1 4.19Å; L381-F664 HydrophobicContact CD2-CD2 3.83Å; L381-F664 HydrophobicContact CD2-CE1 4.2Å; L381-F664 HydrophobicContact CD2-CE2 3.84Å; L381-F664 HydrophobicContact CD2-CG 4.01Å; L381-F664 HydrophobicContact CD2-CZ 4.02Å; L381-F664 WeakPolarHBondContact O-CD1 3.42Å
382	G	90.1	Very high	91.7	Very high	12 Å²	12	42.1 Å²	42.1	12%	0.124	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	157.1	-179.2	0	0	0	0	0	113.6	R388 V389	G382-R388 WeakPolarHBondContact O-CA 3.22Å; G382-V389 PolarHBondContact N-O 3.23Å; G382-V389 PolarHBondContact O-N 3.19Å
383	V	86.1	Confident	91.9	Very high	86 Å²	86	41.1 Å²	41.1	52%	0.521	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130	174	-175.7	0	0	0	0	108.9	T380 R388 F667	T380-V383 HydrophobicContact CG2-CG2 4.07Å; V383-R388 HydrophobicContact CG2-CB 4.45Å; V383-F667 HydrophobicContact CB-CD1 4.4Å; V383-F667 HydrophobicContact CG2-CB 4.24Å; V383-F667 HydrophobicContact CG2-CD1 3.81Å; V383-F667 HydrophobicContact CG2-CE1 4.42Å; V383-F667 HydrophobicContact CG2-CG 4.04Å
384	G	77.8	Confident	91.9	Very high	49 Å²	49	37.8 Å²	37.8	51%	0.505	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	179.6	-179.7	0	0	0	0	0	112.3	F386 G387	G384-F386 VanDerWaalsContact C-N 3.32Å; G384-F386 PolarHBondContact O-N 2.73Å; G384-G387 CarbonylContact C-O 3.58Å; G384-G387 PolarHBondContact N-O 2.82Å; G384-G387 PolarHBondContact O-N 2.62Å
385	G	72.9	Confident	91.9	Very high	64 Å²	64	40.5 Å²	40.5	66%	0.66	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-36.8	-175	0	0	0	0	0	114.3	H411	G385-H411 PolarHBondContact O-CE1 3.32Å; G385-H411 PolarHBondContact O-ND1 3.38Å; G385-H411 VanDerWaalsContact O-ND1 3.17Å
386	F	77.1	Confident	91.7	Very high	65 Å²	65	44.4 Å²	44.4	29%	0.285	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-2.4	-175.1	-62.3	-70.4	0	0	0	114.5	G384 L407 K408 I412 T415 Q417	G384-F386 VanDerWaalsContact C-N 3.32Å; G384-F386 PolarHBondContact O-N 2.73Å; F386-L407 HydrophobicContact CB-CD2 3.71Å; F386-K408 PolarHBondContact O-N 3.2Å; F386-I412 HydrophobicContact CD1-CG1 4.43Å; F386-T415 HydrophobicContact CE1-CG2 4.18Å; F386-T415 WeakPolarHBondContact CE1-OG1 3.34Å; F386-Q417 HydrophobicContact CE1-CB 4.49Å; F386-Q417 HydrophobicContact CE1-CG 3.94Å; F386-Q417 HydrophobicContact CZ-CB 4.44Å; F386-Q417 HydrophobicContact CZ-CG 3.71Å
387	G	87.1	Confident	91.6	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159	-147.8	-176.8	0	0	0	0	0	113.3	G384 I406	G384-G387 CarbonylContact C-O 3.58Å; G384-G387 PolarHBondContact N-O 2.82Å; G384-G387 PolarHBondContact O-N 2.62Å; G387-I406 CarbonylContact C-O 3.48Å; G387-I406 VanDerWaalsContact CA-O 3.28Å; G387-I406 WeakPolarHBondContact CA-O 3.04Å
388	R	92.8	Very high	91.2	Very high	24 Å²	24	45.1 Å²	45.1	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.8	-171	73.2	-160.1	-32.2	-106.1	0.4	112.3	T380 G382 V383 E390 I406 P668	T380-R388 PolarHBondContact OG1-NH1 2.85Å; T380-R388 PolarHBondContact OG1-NH2 3.44Å; G382-R388 WeakPolarHBondContact O-CA 3.22Å; V383-R388 HydrophobicContact CG2-CB 4.45Å; R388-E390 WeakPolarHBondContact CD-OE1 3.45Å; R388-E390 HydrophobicContact CG-CG 4.07Å; R388-E390 IonicContact CZ-OE1 3.38Å; R388-E390 IonicContact NE-OE1 3.29Å; R388-E390 IonicContact NH1-OE1 2.74Å; R388-E390 PolarHBondContact NH1-OE1 3.21Å; R388-I406 HydrophobicContact CG-CB 4.43Å; R388-I406 PolarHBondContact N-O 2.94Å; R388-I406 PolarHBondContact O-N 3.45Å; R388-P668 PolarHBondContact NH2-O 3.44Å
389	V	95.3	Very high	91	Very high	38 Å²	38	48.5 Å²	48.5	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.6	175.8	-175.5	0	0	0	0	108	L381 G382 A403 M404 K405 M453	L381-V389 HydrophobicContact CB-CG1 4.32Å; L381-V389 HydrophobicContact CD1-CG1 4.41Å; L381-V389 PolarHBondContact N-O 3.18Å; G382-V389 PolarHBondContact N-O 3.23Å; G382-V389 PolarHBondContact O-N 3.19Å; V389-A403 HydrophobicContact CG1-CB 3.98Å; V389-M404 WeakPolarHBondContact CA-O 3.46Å; V389-K405 HydrophobicContact CG2-CB 4.21Å; V389-K405 HydrophobicContact CG2-CG 4.18Å; V389-M453 HydrophobicContact CG1-CE 4.42Å
390	E	96.6	Very high	90.9	Very high	15 Å²	15	50 Å²	50	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.6	-178.1	-60.2	-171.6	160.1	0	0	110.4	I377 D379 R388 V392 A403 M404 I406	I377-E390 WeakPolarHBondContact CD1-OE2 3.4Å; I377-E390 VanDerWaalsContact CG1-OE2 3.3Å; I377-E390 WeakPolarHBondContact CG1-OE2 3.41Å; I377-E390 HydrophobicContact CG2-CB 4.2Å; I377-E390 HydrophobicContact CG2-CG 4.44Å; I377-E390 WeakPolarHBondContact CG2-OE2 3.32Å; D379-E390 CarbonylContact O-C 3.2Å; D379-E390 WeakPolarHBondContact O-CA 3.3Å; R388-E390 WeakPolarHBondContact CD-OE1 3.45Å; R388-E390 HydrophobicContact CG-CG 4.07Å; R388-E390 IonicContact CZ-OE1 3.38Å; R388-E390 IonicContact NE-OE1 3.29Å; R388-E390 IonicContact NH1-OE1 2.74Å; R388-E390 PolarHBondContact NH1-OE1 3.21Å; E390-V392 HydrophobicContact CB-CG1 4.38Å; E390-V392 PolarHBondContact O-N 2.89Å; E390-A403 CarbonylContact O-C 3.52Å; E390-M404 PolarHBondContact N-O 3Å; E390-M404 PolarHBondContact O-N 3.24Å; E390-I406 HydrophobicContact CG-CD1 3.98Å; E390-I406 WeakPolarHBondContact OE2-CD1 3.16Å
391	L	97.6	Very high	91	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.8	165.1	-175.3	63.1	0	0	0	107.9	I378 D379 L381 A455 L457 T661	I378-L391 HydrophobicContact CB-CB 4.32Å; I378-L391 HydrophobicContact CB-CD2 4.35Å; I378-L391 HydrophobicContact CB-CG 4.25Å; I378-L391 WeakPolarHBondContact CB-O 3.48Å; I378-L391 HydrophobicContact CG2-CD2 4.18Å; I378-L391 PolarHBondContact N-O 3.41Å; D379-L391 PolarHBondContact O-N 3.39Å; L381-L391 HydrophobicContact CD1-CB 4.06Å; L381-L391 HydrophobicContact CD1-CD1 4.33Å; L381-L391 HydrophobicContact CD2-CB 3.99Å; L381-L391 HydrophobicContact CG-CB 3.91Å; L391-A455 HydrophobicContact CD1-CB 3.97Å; L391-L457 HydrophobicContact CD1-CD2 3.96Å; L391-L457 HydrophobicContact CD2-CD2 4.23Å; L391-T661 HydrophobicContact CB-CG2 4.45Å; L391-T661 HydrophobicContact CD2-CG2 3.52Å
392	V	97.8	Very high	91.2	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.2	178.3	-58.5	0	0	0	0	110.7	F375 N376 I377 E390 T401 F402 M404 L452	F375-V392 HydrophobicContact CB-CB 4.16Å; F375-V392 HydrophobicContact CB-CG2 4.44Å; F375-V392 HydrophobicContact CD1-CB 4.4Å; F375-V392 HydrophobicContact CD1-CG2 3.9Å; F375-V392 HydrophobicContact CG-CG2 4.32Å; N376-V392 CarbonylContact O-C 3.59Å; N376-V392 WeakPolarHBondContact O-CA 3.16Å; I377-V392 HydrophobicContact CG1-CG1 4.24Å; E390-V392 HydrophobicContact CB-CG1 4.38Å; E390-V392 PolarHBondContact O-N 2.89Å; V392-T401 CarbonylContact O-C 3.6Å; V392-T401 WeakPolarHBondContact O-CA 3.41Å; V392-T401 WeakPolarHBondContact O-CB 3.36Å; V392-F402 HydrophobicContact CG2-CB 3.79Å; V392-F402 WeakPolarHBondContact CG2-O 3.39Å; V392-F402 PolarHBondContact N-O 3.49Å; V392-F402 PolarHBondContact O-N 3.21Å; V392-M404 HydrophobicContact CG1-CB 3.69Å; V392-M404 HydrophobicContact CG1-CE 4.15Å; V392-M404 HydrophobicContact CG1-SD 4.34Å; V392-M404 HydrophobicContact CG2-CB 4.05Å; V392-M404 HydrophobicContact CG2-CE 3.99Å; V392-L452 HydrophobicContact CG2-CD1 3.96Å
393	Q	97.8	Very high	91.6	Very high	33 Å²	33	50.2 Å²	50.2	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.7	178.7	-173.9	-176.3	54.9	0	0	110	F375 N376 I378 K395 E398 T401	F375-Q393 CarbonylContact C-O 3.51Å; F375-Q393 WeakPolarHBondContact CA-O 3.48Å; N376-Q393 PolarHBondContact N-O 3.16Å; N376-Q393 PolarHBondContact O-N 3.34Å; I378-Q393 HydrophobicContact CD1-CB 3.83Å; I378-Q393 HydrophobicContact CG1-CB 3.86Å; Q393-K395 PolarHBondContact O-N 2.76Å; Q393-E398 PolarHBondContact NE2-O 3.33Å; Q393-T401 HydrophobicContact CB-CG2 3.98Å; Q393-T401 HydrophobicContact CG-CG2 4.01Å
394	L	96.4	Very high	92.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.9	176.8	-174.1	65.5	0	0	0	110.3	F366 L370 D374 F375 S396 D397 K400 F402	F366-L394 HydrophobicContact CZ-CD2 3.96Å; L370-L394 HydrophobicContact CD1-CD1 4.22Å; L370-L394 HydrophobicContact CD2-CD1 4.01Å; D374-L394 HydrophobicContact CB-CD1 4.14Å; F375-L394 HydrophobicContact CD1-CD1 4.22Å; F375-L394 HydrophobicContact CE1-CB 4.42Å; F375-L394 HydrophobicContact CE1-CD1 3.82Å; F375-L394 HydrophobicContact CZ-CD1 4.19Å; L394-S396 VanDerWaalsContact CD2-OG 3.31Å; L394-S396 WeakPolarHBondContact CD2-OG 3.43Å; L394-S396 WeakPolarHBondContact CG-OG 3.35Å; L394-S396 PolarHBondContact O-N 2.78Å; L394-D397 HydrophobicContact CD2-CB 4.23Å; L394-D397 CarbonylContact O-C 3.5Å; L394-D397 PolarHBondContact O-N 3.42Å; L394-K400 HydrophobicContact CB-CB 4.21Å; L394-K400 HydrophobicContact CD2-CD 4.29Å; L394-K400 PolarHBondContact N-O 3.3Å; L394-F402 HydrophobicContact CB-CE2 4.3Å
395	K	96	Very high	93	Very high	112 Å²	112	45.8 Å²	45.8	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.6	-178.5	-73.6	173.5	179.1	171.1	0	113.5	A373 D374 F375 N376 Q393	A373-K395 WeakPolarHBondContact O-CD 3.45Å; A373-K395 WeakPolarHBondContact O-CE 3.22Å; A373-K395 PolarHBondContact O-NZ 3.15Å; D374-K395 WeakPolarHBondContact O-CB 3.35Å; D374-K395 WeakPolarHBondContact O-CG 3.49Å; D374-K395 PolarHBondContact O-N 3.31Å; F375-K395 WeakPolarHBondContact O-CE 3.34Å; N376-K395 WeakPolarHBondContact OD1-CE 3.45Å; Q393-K395 PolarHBondContact O-N 2.76Å
396	S	94.6	Very high	94.1	Very high	99 Å²	99	43.6 Å²	43.6	69%	0.692	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.2	179.5	64.5	0	0	0	0	113.8	L394	L394-S396 VanDerWaalsContact CD2-OG 3.31Å; L394-S396 WeakPolarHBondContact CD2-OG 3.43Å; L394-S396 WeakPolarHBondContact CG-OG 3.35Å; L394-S396 PolarHBondContact O-N 2.78Å
397	D	93.1	Very high	95	Very high	50 Å²	50	40.6 Å²	40.6	27%	0.267	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	96.1	-177.1	-172.1	-10	0	0	0	110	L394 N399 K400	L394-D397 HydrophobicContact CD2-CB 4.23Å; L394-D397 CarbonylContact O-C 3.5Å; L394-D397 PolarHBondContact O-N 3.42Å; D397-N399 PolarHBondContact O-N 2.67Å; D397-N399 PolarHBondContact OD1-N 3.46Å; D397-K400 HydrophobicContact CB-CB 4.31Å; D397-K400 HydrophobicContact CB-CD 4.13Å; D397-K400 HydrophobicContact CB-CG 4.27Å; D397-K400 PolarHBondContact O-N 2.99Å; D397-K400 VanDerWaalsContact OD2-CD 3.23Å; D397-K400 WeakPolarHBondContact OD2-CD 3.5Å; D397-K400 WeakPolarHBondContact OD2-CE 3.43Å; D397-K400 WeakPolarHBondContact OD2-CG 3.2Å; D397-K400 IonicContact OD2-NZ 3.81Å
398	E	89	Confident	95.4	Very high	144 Å²	144	41.2 Å²	41.2	67%	0.673	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	-16.1	-177	-64.7	178.8	179.2	0	0	113.3	Q393 K400	Q393-E398 PolarHBondContact NE2-O 3.33Å; E398-K400 VanDerWaalsContact C-N 3.35Å
399	N	90.4	Very high	95.4	Very high	137 Å²	137	40.3 Å²	40.3	73%	0.733	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	-6.8	176.7	-62.1	-55.2	0	0	0	113.3	D397	D397-N399 PolarHBondContact O-N 2.67Å; D397-N399 PolarHBondContact OD1-N 3.46Å
400	K	92.8	Very high	95.2	Very high	82 Å²	82	44 Å²	44	36%	0.357	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.7	-179.7	-74	-177.6	-177.8	169.2	0	110.9	L394 D397 E398 F402	L394-K400 HydrophobicContact CB-CB 4.21Å; L394-K400 HydrophobicContact CD2-CD 4.29Å; L394-K400 PolarHBondContact N-O 3.3Å; D397-K400 HydrophobicContact CB-CB 4.31Å; D397-K400 HydrophobicContact CB-CD 4.13Å; D397-K400 HydrophobicContact CB-CG 4.27Å; D397-K400 PolarHBondContact O-N 2.99Å; D397-K400 VanDerWaalsContact OD2-CD 3.23Å; D397-K400 WeakPolarHBondContact OD2-CD 3.5Å; D397-K400 WeakPolarHBondContact OD2-CE 3.43Å; D397-K400 WeakPolarHBondContact OD2-CG 3.2Å; D397-K400 IonicContact OD2-NZ 3.81Å; E398-K400 VanDerWaalsContact C-N 3.35Å; K400-F402 HydrophobicContact CB-CE2 3.99Å; K400-F402 HydrophobicContact CB-CZ 4.22Å
401	T	97.1	Very high	94.7	Very high	20 Å²	20	47 Å²	47	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.6	173.2	57	0	0	0	0	112.1	V392 Q393 A658 V659	V392-T401 CarbonylContact O-C 3.6Å; V392-T401 WeakPolarHBondContact O-CA 3.41Å; V392-T401 WeakPolarHBondContact O-CB 3.36Å; Q393-T401 HydrophobicContact CB-CG2 3.98Å; Q393-T401 HydrophobicContact CG-CG2 4.01Å; T401-A658 WeakPolarHBondContact CB-O 3.46Å; T401-A658 HydrophobicContact CG2-CB 3.91Å; T401-A658 WeakPolarHBondContact CG2-O 3.45Å; T401-A658 PolarHBondContact OG1-O 3.3Å; T401-V659 HydrophobicContact CG2-CG1 3.95Å
402	F	97.9	Very high	94.3	Very high	11 Å²	11	47 Å²	47	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.8	-174.9	-57.2	-82	0	0	0	109.9	F367 F375 V392 L394 K400 Y440 L452 M453	F367-F402 HydrophobicContact CE1-CD1 4.36Å; F367-F402 AromaticContact CE1-CE1 3.49Å; F367-F402 HydrophobicContact CE1-CE1 3.49Å; F367-F402 VanDerWaalsContact CE1-CE1 3.49Å; F367-F402 HydrophobicContact CE1-CE2 4.47Å; F367-F402 AromaticContact CE1-CZ 3.56Å; F367-F402 HydrophobicContact CE1-CZ 3.56Å; F367-F402 AromaticContact CZ-CE1 3.58Å; F367-F402 HydrophobicContact CZ-CE1 3.58Å; F367-F402 AromaticContact CZ-CZ 3.83Å; F367-F402 HydrophobicContact CZ-CZ 3.83Å; F375-F402 HydrophobicContact CD1-CD2 4.39Å; F375-F402 AromaticContact CE1-CD2 3.76Å; F375-F402 HydrophobicContact CE1-CD2 3.76Å; F375-F402 HydrophobicContact CE1-CE2 4.06Å; V392-F402 HydrophobicContact CG2-CB 3.79Å; V392-F402 WeakPolarHBondContact CG2-O 3.39Å; V392-F402 PolarHBondContact N-O 3.49Å; V392-F402 PolarHBondContact O-N 3.21Å; L394-F402 HydrophobicContact CB-CE2 4.3Å; K400-F402 HydrophobicContact CB-CE2 3.99Å; K400-F402 HydrophobicContact CB-CZ 4.22Å; F402-Y440 AromaticContact CD1-CD2 3.68Å; F402-Y440 HydrophobicContact CD1-CD2 3.68Å; F402-Y440 AromaticContact CD1-CE2 3.59Å; F402-Y440 HydrophobicContact CD1-CE2 3.59Å; F402-Y440 AromaticContact CE1-CD2 3.86Å; F402-Y440 HydrophobicContact CE1-CD2 3.86Å; F402-Y440 AromaticContact CE1-CE2 3.68Å; F402-Y440 HydrophobicContact CE1-CE2 3.68Å; F402-L452 HydrophobicContact CB-CD1 3.46Å; F402-L452 VanDerWaalsContact CB-CD1 3.46Å; F402-L452 HydrophobicContact CB-CG 4.14Å; F402-L452 HydrophobicContact CD1-CD1 4.5Å; F402-L452 HydrophobicContact CD1-CG 4.41Å; F402-L452 HydrophobicContact CD2-CD1 4.29Å; F402-L452 HydrophobicContact CG-CD1 3.84Å; F402-L452 HydrophobicContact CG-CG 4.23Å; F402-M453 WeakPolarHBondContact CA-O 3.44Å; F402-M453 WeakPolarHBondContact CB-O 3.31Å
403	A	97.9	Very high	93.8	Very high	7 Å²	7	48.9 Å²	48.9	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.4	168.1	0	0	0	0	0	109	L381 V389 E390 M453	L381-A403 HydrophobicContact CD1-CB 4.08Å; V389-A403 HydrophobicContact CG1-CB 3.98Å; E390-A403 CarbonylContact O-C 3.52Å; A403-M453 HydrophobicContact CB-CB 4.4Å; A403-M453 HydrophobicContact CB-CE 4.23Å; A403-M453 PolarHBondContact N-O 3.44Å; A403-M453 WeakPolarHBondContact O-CB 3.49Å; A403-M453 PolarHBondContact O-N 2.69Å
404	M	97.7	Very high	93	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.044	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.3	176.8	-170.5	171.7	-64.5	0	0	109.7	L372 F375 V389 E390 V392 I406 Y450 M451 L452	L372-M404 HydrophobicContact CD2-CE 4.12Å; L372-M404 HydrophobicContact CD2-SD 3.96Å; F375-M404 HydrophobicContact CB-CE 4.37Å; F375-M404 HydrophobicContact CD2-CE 3.94Å; F375-M404 HydrophobicContact CE2-CE 4.45Å; F375-M404 HydrophobicContact CG-CE 4.1Å; V389-M404 WeakPolarHBondContact CA-O 3.46Å; E390-M404 PolarHBondContact N-O 3Å; E390-M404 PolarHBondContact O-N 3.24Å; V392-M404 HydrophobicContact CG1-CB 3.69Å; V392-M404 HydrophobicContact CG1-CE 4.15Å; V392-M404 HydrophobicContact CG1-SD 4.34Å; V392-M404 HydrophobicContact CG2-CB 4.05Å; V392-M404 HydrophobicContact CG2-CE 3.99Å; M404-I406 HydrophobicContact CG-CG1 4.1Å; M404-Y450 HydrophobicContact CG-CD1 4.19Å; M404-Y450 HydrophobicContact SD-CD1 3.65Å; M404-Y450 HydrophobicContact SD-CE1 4.45Å; M404-Y450 HydrophobicContact SD-CG 4.41Å; M404-M451 WeakPolarHBondContact CA-O 3.42Å; M404-L452 HydrophobicContact CE-CD1 3.92Å
405	K	96.4	Very high	92	Very high	32 Å²	32	54.1 Å²	54.1	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.5	172.2	-175.9	178.5	-174.2	179.2	0	108.5	V389 L407 E424 Y450 M451 M453 D517	V389-K405 HydrophobicContact CG2-CB 4.21Å; V389-K405 HydrophobicContact CG2-CG 4.18Å; K405-L407 HydrophobicContact CD-CD2 4.49Å; K405-L407 HydrophobicContact CG-CD2 4.12Å; K405-L407 HydrophobicContact CG-CG 4.21Å; K405-E424 IonicContact NZ-OE1 3.94Å; K405-E424 PolarHBondContact NZ-OE1 2.93Å; K405-E424 IonicContact NZ-OE2 3.58Å; K405-E424 PolarHBondContact NZ-OE2 3.34Å; K405-Y450 CarbonylContact O-C 3.54Å; K405-Y450 VanDerWaalsContact O-CA 3.31Å; K405-Y450 WeakPolarHBondContact O-CA 3.44Å; K405-M451 HydrophobicContact CB-CB 4.22Å; K405-M451 HydrophobicContact CD-SD 4.24Å; K405-M451 PolarHBondContact N-O 3.04Å; K405-M451 PolarHBondContact O-N 3.19Å; K405-M453 HydrophobicContact CB-CE 3.7Å; K405-M453 HydrophobicContact CB-SD 4.49Å; K405-D517 IonicContact NZ-OD1 3.39Å
406	I	96	Very high	91.3	Very high	18 Å²	18	59 Å²	59	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120	-176.7	-50	-179.4	0	0	0	108.4	G387 R388 E390 M404 Y448 L449 Y450	G387-I406 CarbonylContact C-O 3.48Å; G387-I406 VanDerWaalsContact CA-O 3.28Å; G387-I406 WeakPolarHBondContact CA-O 3.04Å; R388-I406 HydrophobicContact CG-CB 4.43Å; R388-I406 PolarHBondContact N-O 2.94Å; R388-I406 PolarHBondContact O-N 3.45Å; E390-I406 HydrophobicContact CG-CD1 3.98Å; E390-I406 WeakPolarHBondContact OE2-CD1 3.16Å; M404-I406 HydrophobicContact CG-CG1 4.1Å; I406-Y448 HydrophobicContact CG2-CD1 3.61Å; I406-Y448 HydrophobicContact CG2-CE1 4.23Å; I406-Y448 HydrophobicContact CG2-CG 4.01Å; I406-L449 WeakPolarHBondContact CA-O 3.49Å; I406-Y450 HydrophobicContact CB-CD1 4.39Å; I406-Y450 HydrophobicContact CB-CE1 4.45Å; I406-Y450 HydrophobicContact CD1-CD1 4.37Å; I406-Y450 HydrophobicContact CD1-CE1 4.19Å; I406-Y450 HydrophobicContact CG1-CD1 3.88Å; I406-Y450 HydrophobicContact CG1-CE1 4.08Å; I406-Y450 HydrophobicContact CG2-CD1 4.08Å; I406-Y450 HydrophobicContact CG2-CE1 3.73Å
407	L	94.8	Very high	90.7	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.3	-172.4	-59.5	168.1	0	0	0	111.4	F386 K405 K409 I412 I421 Y448 L449 M451	F386-L407 HydrophobicContact CB-CD2 3.71Å; K405-L407 HydrophobicContact CD-CD2 4.49Å; K405-L407 HydrophobicContact CG-CD2 4.12Å; K405-L407 HydrophobicContact CG-CG 4.21Å; L407-K409 PolarHBondContact O-N 3.49Å; L407-I412 HydrophobicContact CB-CD1 3.9Å; L407-I421 HydrophobicContact CD1-CD1 4.22Å; L407-I421 HydrophobicContact CD1-CG2 4.08Å; L407-Y448 CarbonylContact O-C 3.54Å; L407-Y448 WeakPolarHBondContact O-CA 3.2Å; L407-L449 HydrophobicContact CB-CB 4.36Å; L407-L449 PolarHBondContact N-O 3.47Å; L407-L449 PolarHBondContact O-N 3.43Å; L407-M451 HydrophobicContact CD1-CE 4.08Å; L407-M451 HydrophobicContact CD1-SD 4.49Å
408	K	94.7	Very high	90.5	Very high	30 Å²	30	56 Å²	56	13%	0.13	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	113.2	178.8	-64.1	-175.7	-174.2	-166.4	0	109.7	F386 R410 H411 I412 Y448 D670 E672 P675	F386-K408 PolarHBondContact O-N 3.2Å; K408-R410 VanDerWaalsContact C-N 3.3Å; K408-R410 PolarHBondContact O-N 3.38Å; K408-H411 HydrophobicContact CB-CB 4.05Å; K408-H411 PolarHBondContact O-N 3.45Å; K408-H411 VanDerWaalsContact O-N 3.15Å; K408-I412 PolarHBondContact O-N 2.99Å; K408-Y448 HydrophobicContact CG-CD1 4.08Å; K408-Y448 HydrophobicContact CG-CE1 3.7Å; K408-D670 IonicContact NZ-OD2 3.38Å; K408-E672 IonicContact NZ-OE2 3.1Å; K408-E672 PolarHBondContact NZ-OE2 3.4Å; K408-P675 HydrophobicContact CB-CG 4.36Å; K408-P675 HydrophobicContact CD-CG 4.48Å; K408-P675 HydrophobicContact CG-CG 4.25Å
409	K	94.4	Very high	90.3	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-44.2	-179	-70.5	-177.2	-174.8	-169.5	0	112.5	L407 H411 I412 V413 D445 K447 Y448 L449 D678 D683	L407-K409 PolarHBondContact O-N 3.49Å; K409-H411 VanDerWaalsContact C-N 3.28Å; K409-H411 PolarHBondContact O-N 3.04Å; K409-I412 WeakPolarHBondContact O-CB 3.26Å; K409-I412 PolarHBondContact O-N 3.07Å; K409-I412 VanDerWaalsContact O-N 3.1Å; K409-V413 PolarHBondContact O-N 2.85Å; K409-D445 WeakPolarHBondContact CE-O 3.31Å; K409-D445 PolarHBondContact NZ-O 3Å; K409-K447 WeakPolarHBondContact CB-O 3.43Å; K409-K447 WeakPolarHBondContact CG-O 3.49Å; K409-K447 PolarHBondContact N-O 3.2Å; K409-Y448 WeakPolarHBondContact CE-O 3.48Å; K409-L449 HydrophobicContact CG-CD2 4.39Å; K409-L449 HydrophobicContact CG-CG 4.08Å; K409-D678 HydrophobicContact CB-CB 3.88Å; K409-D678 HydrophobicContact CD-CB 3.95Å; K409-D678 PolarHBondContact NZ-O 2.93Å; K409-D683 WeakPolarHBondContact CE-OD2 3.23Å; K409-D683 IonicContact NZ-OD1 2.77Å; K409-D683 IonicContact NZ-OD2 2.9Å; K409-D683 PolarHBondContact NZ-OD2 3.4Å
410	R	90.2	Very high	90	Very high	116 Å²	116	50.5 Å²	50.5	44%	0.438	23%	0.231	S	C	.	.	H	α-helix	trans	-55.2	-45.6	179.2	-176.1	68.4	-156.1	-174.8	5	111.7	K408 I412 V413 D414 P675	K408-R410 VanDerWaalsContact C-N 3.3Å; K408-R410 PolarHBondContact O-N 3.38Å; R410-I412 PolarHBondContact O-N 3.32Å; R410-V413 PolarHBondContact O-N 3.23Å; R410-D414 WeakPolarHBondContact CG-OD2 3.24Å; R410-D414 IonicContact CZ-OD1 3.75Å; R410-D414 VanDerWaalsContact CZ-OD1 3.24Å; R410-D414 IonicContact CZ-OD2 2.77Å; R410-D414 IonicContact NE-OD1 3.82Å; R410-D414 PolarHBondContact NE-OD1 2.94Å; R410-D414 VanDerWaalsContact NE-OD1 3.16Å; R410-D414 IonicContact NE-OD2 2.75Å; R410-D414 PolarHBondContact NE-OD2 3.02Å; R410-D414 IonicContact NH2-OD1 3.71Å; R410-D414 PolarHBondContact NH2-OD1 3.02Å; R410-D414 IonicContact NH2-OD2 3.24Å; R410-D414 WeakPolarHBondContact O-CB 2.98Å; R410-D414 VanDerWaalsContact O-CG 3.28Å; R410-D414 PolarHBondContact O-N 3.38Å; R410-P675 HydrophobicContact CB-CB 4.19Å
411	H	87	Confident	89.9	Confident	76 Å²	76	47 Å²	47	35%	0.352	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-41.2	178.9	-166.9	179.7	0	0	0	111.5	G385 K408 K409 V413 D414 T415	G385-H411 PolarHBondContact O-CE1 3.32Å; G385-H411 PolarHBondContact O-ND1 3.38Å; G385-H411 VanDerWaalsContact O-ND1 3.17Å; K408-H411 HydrophobicContact CB-CB 4.05Å; K408-H411 PolarHBondContact O-N 3.45Å; K408-H411 VanDerWaalsContact O-N 3.15Å; K409-H411 VanDerWaalsContact C-N 3.28Å; K409-H411 PolarHBondContact O-N 3.04Å; H411-V413 VanDerWaalsContact C-N 3.33Å; H411-V413 PolarHBondContact O-N 3.24Å; H411-D414 PolarHBondContact O-N 2.92Å; H411-T415 WeakPolarHBondContact O-CB 3.37Å; H411-T415 WeakPolarHBondContact O-CG2 3.17Å; H411-T415 PolarHBondContact O-N 3.19Å; H411-T415 PolarHBondContact O-OG1 3.03Å
412	I	88.3	Confident	89.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-43.9	175.6	-63.8	165.3	0	0	0	111	F386 L407 K408 K409 R410 T415 R416 Q417 Q418 I421 L449 W682	F386-I412 HydrophobicContact CD1-CG1 4.43Å; L407-I412 HydrophobicContact CB-CD1 3.9Å; K408-I412 PolarHBondContact O-N 2.99Å; K409-I412 WeakPolarHBondContact O-CB 3.26Å; K409-I412 PolarHBondContact O-N 3.07Å; K409-I412 VanDerWaalsContact O-N 3.1Å; R410-I412 PolarHBondContact O-N 3.32Å; I412-T415 PolarHBondContact O-N 3.48Å; I412-T415 PolarHBondContact O-OG1 2.57Å; I412-R416 PolarHBondContact O-N 2.79Å; I412-Q417 HydrophobicContact CG2-CB 4.12Å; I412-Q417 PolarHBondContact O-N 2.95Å; I412-Q418 HydrophobicContact CG2-CG 4.11Å; I412-I421 HydrophobicContact CD1-CG1 4.08Å; I412-I421 HydrophobicContact CD1-CG2 4.45Å; I412-I421 HydrophobicContact CG1-CG1 4.25Å; I412-I421 HydrophobicContact CG2-CG1 4.09Å; I412-L449 HydrophobicContact CD1-CD1 4.15Å; I412-W682 HydrophobicContact CB-CH2 4.41Å; I412-W682 HydrophobicContact CB-CZ2 4.26Å; I412-W682 HydrophobicContact CD1-CH2 4.13Å; I412-W682 HydrophobicContact CD1-CZ2 4.39Å; I412-W682 HydrophobicContact CG2-CH2 3.7Å; I412-W682 HydrophobicContact CG2-CZ2 3.88Å
413	V	87.1	Confident	89.2	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.255	23%	0.23	S	C	.	.	H	α-helix	trans	-67.8	-46.7	179.8	174	0	0	0	0	111.5	K409 R410 H411 T415 R416 Q418 D678	K409-V413 PolarHBondContact O-N 2.85Å; R410-V413 PolarHBondContact O-N 3.23Å; H411-V413 VanDerWaalsContact C-N 3.33Å; H411-V413 PolarHBondContact O-N 3.24Å; V413-T415 PolarHBondContact O-N 3.13Å; V413-R416 PolarHBondContact O-N 2.96Å; V413-Q418 HydrophobicContact CG2-CG 4.44Å; V413-D678 WeakPolarHBondContact CG2-OD2 3.23Å
414	D	81.7	Confident	88.9	Confident	93 Å²	93	49.5 Å²	49.5	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-28.9	-179.2	-70.9	-28.3	0	0	0	111.7	R410 H411	R410-D414 WeakPolarHBondContact CG-OD2 3.24Å; R410-D414 IonicContact CZ-OD1 3.75Å; R410-D414 VanDerWaalsContact CZ-OD1 3.24Å; R410-D414 IonicContact CZ-OD2 2.77Å; R410-D414 IonicContact NE-OD1 3.82Å; R410-D414 PolarHBondContact NE-OD1 2.94Å; R410-D414 VanDerWaalsContact NE-OD1 3.16Å; R410-D414 IonicContact NE-OD2 2.75Å; R410-D414 PolarHBondContact NE-OD2 3.02Å; R410-D414 IonicContact NH2-OD1 3.71Å; R410-D414 PolarHBondContact NH2-OD1 3.02Å; R410-D414 IonicContact NH2-OD2 3.24Å; R410-D414 WeakPolarHBondContact O-CB 2.98Å; R410-D414 VanDerWaalsContact O-CG 3.28Å; R410-D414 PolarHBondContact O-N 3.38Å; H411-D414 PolarHBondContact O-N 2.92Å
415	T	74.9	Confident	88.8	Confident	50 Å²	50	49.5 Å²	49.5	31%	0.307	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.7	177.2	56.9	0	0	0	0	114.4	F386 H411 I412 V413 Q417	F386-T415 HydrophobicContact CE1-CG2 4.18Å; F386-T415 WeakPolarHBondContact CE1-OG1 3.34Å; H411-T415 WeakPolarHBondContact O-CB 3.37Å; H411-T415 WeakPolarHBondContact O-CG2 3.17Å; H411-T415 PolarHBondContact O-N 3.19Å; H411-T415 PolarHBondContact O-OG1 3.03Å; I412-T415 PolarHBondContact O-N 3.48Å; I412-T415 PolarHBondContact O-OG1 2.57Å; V413-T415 PolarHBondContact O-N 3.13Å; T415-Q417 VanDerWaalsContact C-N 3.33Å; T415-Q417 WeakPolarHBondContact O-CG 3.34Å; T415-Q417 PolarHBondContact O-N 2.87Å; T415-Q417 PolarHBondContact O-NE2 3.45Å; T415-Q417 VanDerWaalsContact OG1-CG 3.26Å; T415-Q417 WeakPolarHBondContact OG1-CG 3.31Å
416	R	81	Confident	88.6	Confident	215 Å²	215	52.5 Å²	52.5	81%	0.811	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	38.4	-179.6	-54.7	-176.2	-179.2	-170.8	-0.1	114.5	I412 V413	I412-R416 PolarHBondContact O-N 2.79Å; V413-R416 PolarHBondContact O-N 2.96Å
417	Q	82.7	Confident	88.6	Confident	46 Å²	46	51.8 Å²	51.8	22%	0.215	24%	0.241	C	C	.	.			trans	-99.4	10.7	-174.6	-59.8	-68	-45.6	0	0	113.6	F386 I412 T415 E419 H420 I421	F386-Q417 HydrophobicContact CE1-CB 4.49Å; F386-Q417 HydrophobicContact CE1-CG 3.94Å; F386-Q417 HydrophobicContact CZ-CB 4.44Å; F386-Q417 HydrophobicContact CZ-CG 3.71Å; I412-Q417 HydrophobicContact CG2-CB 4.12Å; I412-Q417 PolarHBondContact O-N 2.95Å; T415-Q417 VanDerWaalsContact C-N 3.33Å; T415-Q417 WeakPolarHBondContact O-CG 3.34Å; T415-Q417 PolarHBondContact O-N 2.87Å; T415-Q417 PolarHBondContact O-NE2 3.45Å; T415-Q417 VanDerWaalsContact OG1-CG 3.26Å; T415-Q417 WeakPolarHBondContact OG1-CG 3.31Å; Q417-E419 VanDerWaalsContact C-N 3.34Å; Q417-E419 PolarHBondContact O-N 2.97Å; Q417-H420 PolarHBondContact O-N 3.01Å; Q417-H420 VanDerWaalsContact O-N 3.12Å; Q417-H420 PolarHBondContact OE1-ND1 2.79Å; Q417-I421 WeakPolarHBondContact O-CG1 3.21Å; Q417-I421 PolarHBondContact O-N 2.77Å
418	Q	88.1	Confident	88.6	Confident	41 Å²	41	51.7 Å²	51.7	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-46.5	-174.4	-63.2	92	-38	0	0	112.5	I412 V413 I421 R422 W682	I412-Q418 HydrophobicContact CG2-CG 4.11Å; V413-Q418 HydrophobicContact CG2-CG 4.44Å; Q418-I421 PolarHBondContact O-N 2.91Å; Q418-R422 PolarHBondContact O-N 2.88Å; Q418-W682 HydrophobicContact CB-CD2 4.08Å; Q418-W682 HydrophobicContact CB-CE3 3.67Å; Q418-W682 HydrophobicContact CB-CH2 4.35Å; Q418-W682 HydrophobicContact CB-CZ3 3.81Å; Q418-W682 HydrophobicContact CG-CD2 3.6Å; Q418-W682 HydrophobicContact CG-CE3 3.73Å; Q418-W682 HydrophobicContact CG-CG 4.05Å; Q418-W682 HydrophobicContact CG-CH2 4.15Å; Q418-W682 HydrophobicContact CG-CZ2 4.05Å; Q418-W682 HydrophobicContact CG-CZ3 4Å
419	E	85.2	Confident	88.4	Confident	126 Å²	126	53.7 Å²	53.7	59%	0.589	25%	0.25	S	S	*	.	H	α-helix	trans	-67.6	-35.1	-179.8	-61.5	-52.9	150.1	0	0	112.5	Q417 R422 S423	Q417-E419 VanDerWaalsContact C-N 3.34Å; Q417-E419 PolarHBondContact O-N 2.97Å; E419-R422 PolarHBondContact O-N 3.5Å; E419-R422 IonicContact OE1-CZ 2.73Å; E419-R422 IonicContact OE1-NH1 3.16Å; E419-R422 PolarHBondContact OE1-NH1 2.75Å; E419-R422 IonicContact OE2-NH1 2.94Å; E419-R422 PolarHBondContact OE2-NH1 3.42Å; E419-S423 WeakPolarHBondContact O-CB 3.33Å; E419-S423 PolarHBondContact O-N 2.89Å
420	H	83.9	Confident	88.1	Confident	38 Å²	38	57.2 Å²	57.2	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-43.9	175.7	-63.4	164.5	0	0	0	111.2	E80 Q417 R422 S423 E424	E80-H420 WeakPolarHBondContact CG-NE2 3.46Å; E80-H420 IonicContact OE1-CD2 2.64Å; E80-H420 IonicContact OE1-CE1 2.97Å; E80-H420 IonicContact OE1-NE2 3.85Å; E80-H420 PolarHBondContact OE1-NE2 2.78Å; Q417-H420 PolarHBondContact O-N 3.01Å; Q417-H420 VanDerWaalsContact O-N 3.12Å; Q417-H420 PolarHBondContact OE1-ND1 2.79Å; H420-R422 VanDerWaalsContact C-N 3.34Å; H420-R422 PolarHBondContact O-N 2.86Å; H420-S423 PolarHBondContact O-N 3.01Å; H420-E424 WeakPolarHBondContact O-CB 3.43Å; H420-E424 PolarHBondContact O-N 2.94Å
421	I	90.3	Very high	88.1	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-36.4	178	-59.7	-59.5	0	0	0	111.4	L407 I412 Q417 Q418 K425 L449 M451 F686	L407-I421 HydrophobicContact CD1-CD1 4.22Å; L407-I421 HydrophobicContact CD1-CG2 4.08Å; I412-I421 HydrophobicContact CD1-CG1 4.08Å; I412-I421 HydrophobicContact CD1-CG2 4.45Å; I412-I421 HydrophobicContact CG1-CG1 4.25Å; I412-I421 HydrophobicContact CG2-CG1 4.09Å; Q417-I421 WeakPolarHBondContact O-CG1 3.21Å; Q417-I421 PolarHBondContact O-N 2.77Å; Q418-I421 PolarHBondContact O-N 2.91Å; I421-K425 WeakPolarHBondContact O-CB 3.24Å; I421-K425 PolarHBondContact O-N 2.95Å; I421-K425 VanDerWaalsContact O-N 3.11Å; I421-L449 HydrophobicContact CG2-CD1 4.08Å; I421-M451 HydrophobicContact CG2-CE 3.81Å; I421-F686 HydrophobicContact CG2-CE1 4.13Å; I421-F686 HydrophobicContact CG2-CZ 3.79Å
422	R	91.4	Very high	88.2	Confident	50 Å²	50	50.4 Å²	50.4	19%	0.189	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-44.2	171	-73.9	-164	-157.1	106.5	-13.5	112	Q418 E419 H420 K425 L426 W682 F686	Q418-R422 PolarHBondContact O-N 2.88Å; E419-R422 PolarHBondContact O-N 3.5Å; E419-R422 IonicContact OE1-CZ 2.73Å; E419-R422 IonicContact OE1-NH1 3.16Å; E419-R422 PolarHBondContact OE1-NH1 2.75Å; E419-R422 IonicContact OE2-NH1 2.94Å; E419-R422 PolarHBondContact OE2-NH1 3.42Å; H420-R422 VanDerWaalsContact C-N 3.34Å; H420-R422 PolarHBondContact O-N 2.86Å; R422-K425 PolarHBondContact O-N 3.41Å; R422-L426 WeakPolarHBondContact O-CG 3.23Å; R422-L426 PolarHBondContact O-N 3.29Å; R422-W682 PolarHBondContact NE-O 2.93Å; R422-W682 PolarHBondContact NH2-O 3.39Å; R422-F686 HydrophobicContact CG-CE2 3.86Å; R422-F686 HydrophobicContact CG-CZ 4.33Å
423	S	88.8	Confident	88.4	Confident	38 Å²	38	51.6 Å²	51.6	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-42.1	179.8	-164.1	0	0	0	0	111.9	E419 H420 L426 I427	E419-S423 WeakPolarHBondContact O-CB 3.33Å; E419-S423 PolarHBondContact O-N 2.89Å; H420-S423 PolarHBondContact O-N 3.01Å; S423-L426 PolarHBondContact O-N 2.93Å; S423-I427 WeakPolarHBondContact O-CB 3.3Å; S423-I427 WeakPolarHBondContact O-CG1 3.23Å; S423-I427 PolarHBondContact O-N 3.25Å
424	E	92.9	Very high	88.8	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-53.1	173.3	179.8	179.7	-164.4	0	0	110	K405 H420 L426 I427 M428 F518	K405-E424 IonicContact NZ-OE1 3.94Å; K405-E424 PolarHBondContact NZ-OE1 2.93Å; K405-E424 IonicContact NZ-OE2 3.58Å; K405-E424 PolarHBondContact NZ-OE2 3.34Å; H420-E424 WeakPolarHBondContact O-CB 3.43Å; H420-E424 PolarHBondContact O-N 2.94Å; E424-L426 PolarHBondContact O-N 3.36Å; E424-I427 PolarHBondContact O-N 3.14Å; E424-M428 HydrophobicContact CG-SD 3.98Å; E424-M428 WeakPolarHBondContact O-CB 3.44Å; E424-M428 WeakPolarHBondContact O-CG 3.17Å; E424-M428 PolarHBondContact O-N 3.31Å; E424-F518 HydrophobicContact CG-CB 3.87Å
425	K	94.6	Very high	89.6	Confident	10 Å²	10	50.8 Å²	50.8	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-54.2	-52.7	177.2	175.7	-165	170.4	-167.2	0	111.8	I421 R422 I427 M428 Q429 L439 T442 M451 D685 F686	I421-K425 WeakPolarHBondContact O-CB 3.24Å; I421-K425 PolarHBondContact O-N 2.95Å; I421-K425 VanDerWaalsContact O-N 3.11Å; R422-K425 PolarHBondContact O-N 3.41Å; K425-I427 PolarHBondContact O-N 2.96Å; K425-M428 PolarHBondContact O-N 2.91Å; K425-Q429 HydrophobicContact CG-CG 4.27Å; K425-Q429 WeakPolarHBondContact O-CB 3.45Å; K425-Q429 VanDerWaalsContact O-CG 3.28Å; K425-Q429 WeakPolarHBondContact O-CG 3.49Å; K425-Q429 PolarHBondContact O-N 3.35Å; K425-L439 HydrophobicContact CG-CD2 4.34Å; K425-T442 HydrophobicContact CD-CG2 3.99Å; K425-T442 HydrophobicContact CG-CG2 3.89Å; K425-M451 HydrophobicContact CB-CE 4.22Å; K425-D685 PolarHBondContact NZ-O 2.91Å; K425-F686 HydrophobicContact CB-CE1 4.09Å; K425-F686 HydrophobicContact CB-CZ 4.19Å; K425-F686 HydrophobicContact CD-CD1 3.87Å; K425-F686 HydrophobicContact CD-CD2 4.47Å; K425-F686 HydrophobicContact CD-CE1 3.62Å; K425-F686 HydrophobicContact CD-CE2 4.27Å; K425-F686 HydrophobicContact CD-CG 4.27Å; K425-F686 HydrophobicContact CD-CZ 3.8Å; K425-F686 HydrophobicContact CG-CE1 4.24Å
426	L	93.8	Very high	90.7	Very high	94 Å²	94	48.6 Å²	48.6	49%	0.492	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-44.1	-175.4	-71.7	171.5	0	0	0	111.6	R422 S423 E424 Q429 E430	R422-L426 WeakPolarHBondContact O-CG 3.23Å; R422-L426 PolarHBondContact O-N 3.29Å; S423-L426 PolarHBondContact O-N 2.93Å; E424-L426 PolarHBondContact O-N 3.36Å; L426-Q429 PolarHBondContact O-N 3Å; L426-E430 WeakPolarHBondContact O-CG 3.14Å; L426-E430 PolarHBondContact O-N 3.42Å; L426-E430 VanDerWaalsContact O-N 3.08Å
427	I	93.9	Very high	91.4	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-47.5	177.9	-72.1	168.5	0	0	0	110.6	S423 E424 K425 Q429 E430 A431 I495 F518 A521	S423-I427 WeakPolarHBondContact O-CB 3.3Å; S423-I427 WeakPolarHBondContact O-CG1 3.23Å; S423-I427 PolarHBondContact O-N 3.25Å; E424-I427 PolarHBondContact O-N 3.14Å; K425-I427 PolarHBondContact O-N 2.96Å; I427-Q429 PolarHBondContact O-N 2.95Å; I427-E430 PolarHBondContact O-N 2.98Å; I427-A431 WeakPolarHBondContact O-CB 3.04Å; I427-A431 PolarHBondContact O-N 3.47Å; I427-I495 HydrophobicContact CD1-CG2 4.21Å; I427-I495 HydrophobicContact CG1-CG2 4.49Å; I427-I495 HydrophobicContact CG2-CD1 4.25Å; I427-I495 HydrophobicContact CG2-CG2 4.02Å; I427-F518 HydrophobicContact CG2-CD1 3.56Å; I427-F518 HydrophobicContact CG2-CE1 4.14Å; I427-F518 HydrophobicContact CG2-CG 4.37Å; I427-A521 HydrophobicContact CD1-CB 3.77Å; I427-A521 WeakPolarHBondContact CD1-O 3.36Å; I427-A521 HydrophobicContact CG2-CB 4.27Å
428	M	94.9	Very high	92	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-67.8	-34.8	-179.5	-68.7	-174.4	76.2	0	0	112.7	E424 K425 A431 L439 M453 F518	E424-M428 HydrophobicContact CG-SD 3.98Å; E424-M428 WeakPolarHBondContact O-CB 3.44Å; E424-M428 WeakPolarHBondContact O-CG 3.17Å; E424-M428 PolarHBondContact O-N 3.31Å; K425-M428 PolarHBondContact O-N 2.91Å; M428-A431 PolarHBondContact O-N 3.43Å; M428-L439 HydrophobicContact CB-CB 3.71Å; M428-L439 HydrophobicContact CB-CD2 3.65Å; M428-L439 HydrophobicContact CB-CG 4.34Å; M428-L439 HydrophobicContact CE-CB 4.3Å; M428-M453 HydrophobicContact CE-CG 4.44Å; M428-M453 HydrophobicContact CE-SD 3.81Å; M428-F518 HydrophobicContact CE-CD2 4.22Å; M428-F518 HydrophobicContact CG-CB 3.78Å; M428-F518 HydrophobicContact CG-CD2 3.66Å; M428-F518 HydrophobicContact CG-CE2 4.44Å; M428-F518 HydrophobicContact CG-CG 3.73Å; M428-F518 HydrophobicContact SD-CB 4.15Å; M428-F518 HydrophobicContact SD-CD2 3.97Å; M428-F518 HydrophobicContact SD-CG 4.37Å
429	Q	91.3	Very high	92.4	Very high	71 Å²	71	35.6 Å²	35.6	33%	0.332	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-41.7	174.1	-77.2	-177.3	-43.1	0	0	111.7	K425 L426 I427 A431 R438 L439	K425-Q429 HydrophobicContact CG-CG 4.27Å; K425-Q429 WeakPolarHBondContact O-CB 3.45Å; K425-Q429 VanDerWaalsContact O-CG 3.28Å; K425-Q429 WeakPolarHBondContact O-CG 3.49Å; K425-Q429 PolarHBondContact O-N 3.35Å; L426-Q429 PolarHBondContact O-N 3Å; I427-Q429 PolarHBondContact O-N 2.95Å; Q429-A431 VanDerWaalsContact C-N 3.29Å; Q429-A431 PolarHBondContact O-N 2.9Å; Q429-R438 PolarHBondContact O-NH1 3.27Å; Q429-L439 HydrophobicContact CG-CD2 3.71Å; Q429-L439 HydrophobicContact CG-CG 4.3Å
430	E	88.3	Confident	92.9	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	16%	0.157	S	C	.	.	H	α-helix	trans	-75.5	-13.8	177.2	-71.8	-175.1	-173.5	0	0	113.9	L426 I427 H432 Y489 K493 K523	L426-E430 WeakPolarHBondContact O-CG 3.14Å; L426-E430 PolarHBondContact O-N 3.42Å; L426-E430 VanDerWaalsContact O-N 3.08Å; I427-E430 PolarHBondContact O-N 2.98Å; E430-H432 PolarHBondContact O-CD2 2.91Å; E430-Y489 PolarHBondContact O-OH 3.22Å; E430-Y489 VanDerWaalsContact O-OH 3.07Å; E430-K493 PolarHBondContact O-NZ 2.83Å; E430-K523 IonicContact OE1-NZ 2.73Å; E430-K523 PolarHBondContact OE1-NZ 2.85Å; E430-K523 IonicContact OE2-NZ 2.7Å; E430-K523 PolarHBondContact OE2-NZ 2.83Å
431	A	90.4	Very high	93.3	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.017	16%	0.158	C	C	.	.			trans	-86.4	123.6	-175.4	0	0	0	0	0	112.6	I427 M428 Q429 I436 R438 Y489	I427-A431 WeakPolarHBondContact O-CB 3.04Å; I427-A431 PolarHBondContact O-N 3.47Å; M428-A431 PolarHBondContact O-N 3.43Å; Q429-A431 VanDerWaalsContact C-N 3.29Å; Q429-A431 PolarHBondContact O-N 2.9Å; A431-I436 HydrophobicContact CB-CG2 4.12Å; A431-R438 PolarHBondContact O-NH1 3.24Å; A431-Y489 HydrophobicContact CB-CE1 4.14Å
432	H	89.1	Confident	93.6	Very high	48 Å²	48	32.4 Å²	32.4	22%	0.222	16%	0.159	C	C	.	.			trans	-138.1	82.7	-178.8	-66.8	-102.4	0	0	0	108.8	Y360 E430 R438 Y489	Y360-H432 AromaticContact CD1-CE1 3.99Å; Y360-H432 AromaticContact CD1-ND1 3.67Å; Y360-H432 AromaticContact CE1-ND1 3.66Å; Y360-H432 AromaticContact CG-CE1 3.89Å; Y360-H432 AromaticContact CG-ND1 3.92Å; Y360-H432 AromaticContact CZ-ND1 3.89Å; E430-H432 PolarHBondContact O-CD2 2.91Å; H432-R438 PolarHBondContact CD2-NH1 2.92Å; H432-R438 PolarHBondContact CE1-NH1 3.44Å; H432-R438 PolarHBondContact CE1-NH2 2.91Å; H432-R438 VanDerWaalsContact ND1-CZ 3.29Å; H432-R438 PolarHBondContact ND1-NH1 2.86Å; H432-R438 PolarHBondContact NE2-NH1 2.77Å; H432-R438 VanDerWaalsContact NE2-NH1 3.15Å; H432-Y489 VanDerWaalsContact N-CZ 3.31Å; H432-Y489 PolarHBondContact N-OH 2.82Å; H432-Y489 WeakPolarHBondContact O-CE2 3.31Å
433	S	93.1	Very high	93.9	Very high	25 Å²	25	30.9 Å²	30.9	18%	0.175	15%	0.153	C	C	.	.			trans	-142.2	140.4	177.2	175.7	0	0	0	0	108.9	F435 I436	S433-F435 PolarHBondContact O-N 2.78Å; S433-F435 VanDerWaalsContact O-N 3.1Å; S433-F435 PolarHBondContact OG-N 2.76Å; S433-I436 PolarHBondContact O-N 2.81Å; S433-I436 VanDerWaalsContact O-N 3.11Å
434	D	95	Very high	94.3	Very high	107 Å²	107	32.7 Å²	32.7	57%	0.572	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.6	177	-71	-29.2	0	0	0	112.5	K514	D434-K514 WeakPolarHBondContact O-CE 3.09Å; D434-K514 WeakPolarHBondContact O-CG 3.36Å; D434-K514 PolarHBondContact O-NZ 3.42Å
435	F	97.8	Very high	94.4	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.048	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	10.7	179.8	-53.7	-79.5	0	0	0	113.5	S433 C482 E485 A486 Y512 K514 L515 L642	S433-F435 PolarHBondContact O-N 2.78Å; S433-F435 VanDerWaalsContact O-N 3.1Å; S433-F435 PolarHBondContact OG-N 2.76Å; F435-C482 HydrophobicContact CD1-CB 3.75Å; F435-C482 HydrophobicContact CE1-CB 4.18Å; F435-E485 HydrophobicContact CD2-CB 3.35Å; F435-E485 HydrophobicContact CD2-CG 4.24Å; F435-E485 HydrophobicContact CE2-CB 3.49Å; F435-E485 VanDerWaalsContact CE2-CB 3.49Å; F435-E485 HydrophobicContact CE2-CG 3.86Å; F435-E485 HydrophobicContact CG-CB 3.93Å; F435-E485 HydrophobicContact CZ-CB 4.16Å; F435-E485 HydrophobicContact CZ-CG 4.22Å; F435-A486 HydrophobicContact CB-CB 3.88Å; F435-Y512 HydrophobicContact CE1-CD1 4.05Å; F435-K514 CarbonylContact O-C 3.55Å; F435-K514 WeakPolarHBondContact O-CA 3.47Å; F435-L515 PolarHBondContact O-N 2.73Å; F435-L642 HydrophobicContact CE1-CD1 4.35Å; F435-L642 HydrophobicContact CE1-CD2 4.18Å; F435-L642 HydrophobicContact CE1-CG 3.97Å; F435-L642 HydrophobicContact CZ-CD2 4.1Å; F435-L642 HydrophobicContact CZ-CG 3.83Å
436	I	97.8	Very high	94.5	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-127.8	135.5	174.9	-63.4	172.3	0	0	0	107.7	A431 S433 R438 A486 Y489 L490 L515 F518	A431-I436 HydrophobicContact CB-CG2 4.12Å; S433-I436 PolarHBondContact O-N 2.81Å; S433-I436 VanDerWaalsContact O-N 3.11Å; I436-R438 PolarHBondContact O-N 3.32Å; I436-A486 HydrophobicContact CG1-CB 4.02Å; I436-Y489 HydrophobicContact CD1-CD1 3.65Å; I436-Y489 HydrophobicContact CD1-CE1 4.3Å; I436-Y489 HydrophobicContact CD1-CG 4.41Å; I436-L490 HydrophobicContact CD1-CD1 4.19Å; I436-L490 HydrophobicContact CD1-CD2 3.76Å; I436-L490 HydrophobicContact CD1-CG 3.73Å; I436-L515 HydrophobicContact CG1-CB 4.46Å; I436-F518 HydrophobicContact CB-CZ 4.45Å; I436-F518 HydrophobicContact CD1-CZ 4.44Å; I436-F518 HydrophobicContact CG1-CZ 4.35Å; I436-F518 HydrophobicContact CG2-CE1 4.42Å; I436-F518 HydrophobicContact CG2-CE2 3.69Å; I436-F518 HydrophobicContact CG2-CZ 3.39Å
437	V	97.1	Very high	94.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-62.9	127.7	175.9	163.4	0	0	0	0	110.4	M453 E454 I506 K514 L515 V516	V437-M453 HydrophobicContact CG1-CB 3.98Å; V437-E454 HydrophobicContact CG1-CB 4.23Å; V437-I506 HydrophobicContact CG2-CG2 3.88Å; V437-K514 HydrophobicContact CG2-CB 3.87Å; V437-K514 HydrophobicContact CG2-CD 4.29Å; V437-L515 PolarHBondContact N-O 2.73Å; V437-V516 HydrophobicContact CB-CG1 3.83Å; V437-V516 HydrophobicContact CG1-CG1 4.39Å; V437-V516 HydrophobicContact CG2-CG1 3.27Å
438	R	95.3	Very high	94.7	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.091	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-73.7	131.9	-179	-172.1	65.9	178.2	133.2	14.7	110.9	E363 Q429 A431 H432 I436 Y440 M453 E454	E363-R438 IonicContact OE2-NE 2.77Å; E363-R438 PolarHBondContact OE2-NE 3.37Å; E363-R438 IonicContact OE2-NH2 3.13Å; Q429-R438 PolarHBondContact O-NH1 3.27Å; A431-R438 PolarHBondContact O-NH1 3.24Å; H432-R438 PolarHBondContact CD2-NH1 2.92Å; H432-R438 PolarHBondContact CE1-NH1 3.44Å; H432-R438 PolarHBondContact CE1-NH2 2.91Å; H432-R438 VanDerWaalsContact ND1-CZ 3.29Å; H432-R438 PolarHBondContact ND1-NH1 2.86Å; H432-R438 PolarHBondContact NE2-NH1 2.77Å; H432-R438 VanDerWaalsContact NE2-NH1 3.15Å; I436-R438 PolarHBondContact O-N 3.32Å; R438-Y440 HydrophobicContact CB-CE1 4.15Å; R438-Y440 HydrophobicContact CG-CD1 3.79Å; R438-Y440 HydrophobicContact CG-CE1 3.49Å; R438-Y440 VanDerWaalsContact CG-CE1 3.49Å; R438-Y440 HydrophobicContact CG-CG 4.5Å; R438-M453 CarbonylContact O-C 3.57Å; R438-M453 WeakPolarHBondContact O-CA 3.45Å; R438-E454 HydrophobicContact CB-CB 4.1Å; R438-E454 PolarHBondContact N-OE2 2.9Å; R438-E454 PolarHBondContact O-N 2.89Å
439	L	96.2	Very high	94.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.7	162.9	175.9	60.8	0	0	0	108.9	K425 M428 Q429 T442 M451 L452 M453	K425-L439 HydrophobicContact CG-CD2 4.34Å; M428-L439 HydrophobicContact CB-CB 3.71Å; M428-L439 HydrophobicContact CB-CD2 3.65Å; M428-L439 HydrophobicContact CB-CG 4.34Å; M428-L439 HydrophobicContact CE-CB 4.3Å; Q429-L439 HydrophobicContact CG-CD2 3.71Å; Q429-L439 HydrophobicContact CG-CG 4.3Å; L439-T442 HydrophobicContact CD2-CG2 4.44Å; L439-M451 HydrophobicContact CD1-CB 3.81Å; L439-L452 WeakPolarHBondContact CD1-O 3.44Å; L439-M453 HydrophobicContact CD1-CG 4Å
440	Y	94.3	Very high	95	Very high	44 Å²	44	34.5 Å²	34.5	17%	0.173	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.2	-179.3	-62.4	-64.3	0	0	0	112	F367 F402 R438 L452 E454	F367-Y440 HydrophobicContact CD1-CG 4.23Å; F367-Y440 AromaticContact CD2-CD1 3.78Å; F367-Y440 HydrophobicContact CD2-CD1 3.78Å; F367-Y440 HydrophobicContact CD2-CG 4.1Å; F367-Y440 HydrophobicContact CE1-CD1 4.28Å; F367-Y440 HydrophobicContact CE1-CD2 4.2Å; F367-Y440 AromaticContact CE1-CG 3.89Å; F367-Y440 HydrophobicContact CE1-CG 3.89Å; F367-Y440 AromaticContact CE2-CD1 3.29Å; F367-Y440 HydrophobicContact CE2-CD1 3.29Å; F367-Y440 AromaticContact CE2-CE1 3.78Å; F367-Y440 HydrophobicContact CE2-CE1 3.78Å; F367-Y440 AromaticContact CE2-CG 3.75Å; F367-Y440 HydrophobicContact CE2-CG 3.75Å; F367-Y440 HydrophobicContact CG-CD1 4.48Å; F367-Y440 HydrophobicContact CG-CG 4.35Å; F367-Y440 AromaticContact CZ-CD1 3.59Å; F367-Y440 HydrophobicContact CZ-CD1 3.59Å; F367-Y440 HydrophobicContact CZ-CD2 4.06Å; F367-Y440 AromaticContact CZ-CE1 3.95Å; F367-Y440 HydrophobicContact CZ-CE1 3.95Å; F367-Y440 HydrophobicContact CZ-CE2 4.37Å; F367-Y440 AromaticContact CZ-CG 3.65Å; F367-Y440 HydrophobicContact CZ-CG 3.65Å; F402-Y440 AromaticContact CD1-CD2 3.68Å; F402-Y440 HydrophobicContact CD1-CD2 3.68Å; F402-Y440 AromaticContact CD1-CE2 3.59Å; F402-Y440 HydrophobicContact CD1-CE2 3.59Å; F402-Y440 AromaticContact CE1-CD2 3.86Å; F402-Y440 HydrophobicContact CE1-CD2 3.86Å; F402-Y440 AromaticContact CE1-CE2 3.68Å; F402-Y440 HydrophobicContact CE1-CE2 3.68Å; R438-Y440 HydrophobicContact CB-CE1 4.15Å; R438-Y440 HydrophobicContact CG-CD1 3.79Å; R438-Y440 HydrophobicContact CG-CE1 3.49Å; R438-Y440 VanDerWaalsContact CG-CE1 3.49Å; R438-Y440 HydrophobicContact CG-CG 4.5Å; Y440-L452 PolarHBondContact N-O 3.4Å; Y440-E454 HydrophobicContact CE2-CB 4.09Å
441	R	93.9	Very high	95.5	Very high	52 Å²	52	30.8 Å²	30.8	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	159.7	-175.6	-172	159.6	-176.8	-159.6	1.6	112.6	F367 F368 L370 F443 L452	F367-R441 HydrophobicContact CB-CB 4.48Å; F367-R441 WeakPolarHBondContact O-CD 3.41Å; F367-R441 PolarHBondContact O-NH1 2.96Å; F368-R441 PolarHBondContact O-NH1 2.95Å; F368-R441 PolarHBondContact O-NH2 3.12Å; L370-R441 PolarHBondContact O-NH1 3.26Å; R441-F443 HydrophobicContact CG-CE1 4.32Å; R441-F443 HydrophobicContact CG-CZ 4.25Å; R441-L452 PolarHBondContact N-O 3.31Å; R441-L452 WeakPolarHBondContact O-CB 3.5Å; R441-L452 PolarHBondContact O-N 2.78Å
442	T	96.8	Very high	95.8	Very high	10 Å²	10	30.7 Å²	30.7	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.3	167.1	56.4	0	0	0	0	112.3	K425 L439 Y450 M451 F686	K425-T442 HydrophobicContact CD-CG2 3.99Å; K425-T442 HydrophobicContact CG-CG2 3.89Å; L439-T442 HydrophobicContact CD2-CG2 4.44Å; T442-Y450 CarbonylContact C-O 3.5Å; T442-Y450 WeakPolarHBondContact CA-O 3.35Å; T442-Y450 WeakPolarHBondContact CB-O 3.3Å; T442-M451 HydrophobicContact CG2-CG 4.14Å; T442-F686 CarbonylContact C-O 3.55Å; T442-F686 WeakPolarHBondContact CB-O 3.22Å; T442-F686 HydrophobicContact CG2-CD1 4.03Å; T442-F686 HydrophobicContact CG2-CE1 4.46Å; T442-F686 PolarHBondContact OG1-O 3.44Å
443	F	96.9	Very high	96.2	Very high	17 Å²	17	29.4 Å²	29.4	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	170.4	168.5	-44.4	-88.7	0	0	0	109.8	L370 L372 F375 R441 Y450 L452	L370-F443 WeakPolarHBondContact O-CE1 3.27Å; L372-F443 HydrophobicContact CD1-CB 3.96Å; L372-F443 HydrophobicContact CD2-CB 3.75Å; L372-F443 HydrophobicContact CD2-CD1 4.48Å; L372-F443 HydrophobicContact CD2-CD2 3.54Å; L372-F443 HydrophobicContact CD2-CE2 4.24Å; L372-F443 HydrophobicContact CD2-CG 3.68Å; L372-F443 HydrophobicContact CG-CB 3.71Å; L372-F443 HydrophobicContact CG-CD1 4.25Å; L372-F443 HydrophobicContact CG-CD2 4.18Å; L372-F443 HydrophobicContact CG-CG 3.81Å; F375-F443 HydrophobicContact CE2-CE2 4.27Å; F375-F443 HydrophobicContact CE2-CZ 4.01Å; R441-F443 HydrophobicContact CG-CE1 4.32Å; R441-F443 HydrophobicContact CG-CZ 4.25Å; F443-Y450 HydrophobicContact CB-CD2 4.17Å; F443-Y450 HydrophobicContact CB-CG 4.38Å; F443-Y450 PolarHBondContact N-O 3.09Å; F443-Y450 PolarHBondContact O-N 2.9Å; F443-L452 HydrophobicContact CE2-CB 4.01Å; F443-L452 HydrophobicContact CE2-CD2 4.32Å; F443-L452 HydrophobicContact CZ-CD2 4.49Å
444	K	96.4	Very high	96.4	Very high	76 Å²	76	30.1 Å²	30.1	33%	0.33	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.8	172.5	60	171.3	173.6	-175.9	0	111.4	Y448 L449 D683 V684 F686	K444-Y448 WeakPolarHBondContact CA-O 3.41Å; K444-L449 HydrophobicContact CB-CD2 3.72Å; K444-D683 HydrophobicContact CD-CB 4.49Å; K444-D683 WeakPolarHBondContact CD-O 3.35Å; K444-D683 WeakPolarHBondContact CD-OD2 3.21Å; K444-D683 PolarHBondContact NZ-O 3.45Å; K444-D683 IonicContact NZ-OD1 3.48Å; K444-D683 IonicContact NZ-OD2 3.78Å; K444-V684 VanDerWaalsContact NZ-CA 3.28Å; K444-V684 PolarHBondContact NZ-O 2.66Å; K444-F686 HydrophobicContact CB-CB 4.43Å; K444-F686 HydrophobicContact CD-CB 4.39Å; K444-F686 WeakPolarHBondContact CE-OXT 3.22Å
445	D	95.7	Very high	96.4	Very high	63 Å²	63	26.1 Å²	26.1	34%	0.337	13%	0.125	S	C	.	.			trans	-130.4	-158.3	163.9	68.6	11.9	0	0	0	109.8	K409 K447 Y448 Y450	K409-D445 WeakPolarHBondContact CE-O 3.31Å; K409-D445 PolarHBondContact NZ-O 3Å; D445-K447 VanDerWaalsContact C-N 3.25Å; D445-K447 PolarHBondContact O-N 2.97Å; D445-K447 WeakPolarHBondContact OD1-CA 3.38Å; D445-K447 PolarHBondContact OD1-N 3.41Å; D445-Y448 PolarHBondContact N-O 2.97Å; D445-Y448 VanDerWaalsContact N-O 3.16Å; D445-Y448 PolarHBondContact OD1-N 3.06Å; D445-Y450 HydrophobicContact CB-CE2 4.5Å; D445-Y450 PolarHBondContact OD2-OH 3.18Å; D445-Y450 VanDerWaalsContact OD2-OH 3.06Å
446	S	95.9	Very high	96.4	Very high	47 Å²	47	25.8 Å²	25.8	33%	0.329	12%	0.124	S	C	.	.	S	Bend	trans	-72.5	-14.1	177.9	61.4	0	0	0	0	114.1	D677 D678	S446-D677 WeakPolarHBondContact CB-OD1 3.29Å; S446-D677 CarbonylContact O-C 3.49Å; S446-D677 WeakPolarHBondContact O-CA 3.41Å; S446-D677 PolarHBondContact OG-OD1 3.22Å; S446-D678 PolarHBondContact O-N 2.92Å
447	K	95.1	Very high	96.4	Very high	52 Å²	52	26.1 Å²	26.1	23%	0.226	13%	0.126	C	C	.	.	S	Bend	trans	-122.9	-32.8	-166.3	-67.4	-176	-173.8	-55.5	0	113.6	K409 D445 P674 P675 D677	K409-K447 WeakPolarHBondContact CB-O 3.43Å; K409-K447 WeakPolarHBondContact CG-O 3.49Å; K409-K447 PolarHBondContact N-O 3.2Å; D445-K447 VanDerWaalsContact C-N 3.25Å; D445-K447 PolarHBondContact O-N 2.97Å; D445-K447 WeakPolarHBondContact OD1-CA 3.38Å; D445-K447 PolarHBondContact OD1-N 3.41Å; K447-P674 HydrophobicContact CD-CB 3.93Å; K447-P675 HydrophobicContact CB-CG 4.12Å; K447-P675 WeakPolarHBondContact CD-O 3.4Å; K447-P675 PolarHBondContact NZ-O 3.04Å; K447-D677 WeakPolarHBondContact CE-OD1 3.24Å; K447-D677 VanDerWaalsContact CG-OD1 3.27Å; K447-D677 WeakPolarHBondContact CG-OD1 3.36Å; K447-D677 IonicContact NZ-OD1 3.86Å; K447-D677 PolarHBondContact NZ-OD1 2.9Å
448	Y	96.4	Very high	96.3	Very high	34 Å²	34	26 Å²	26	13%	0.133	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.7	-168.5	-59	-87.1	0	0	0	112.5	I406 L407 K408 K409 K444 D445 P675	I406-Y448 HydrophobicContact CG2-CD1 3.61Å; I406-Y448 HydrophobicContact CG2-CE1 4.23Å; I406-Y448 HydrophobicContact CG2-CG 4.01Å; L407-Y448 CarbonylContact O-C 3.54Å; L407-Y448 WeakPolarHBondContact O-CA 3.2Å; K408-Y448 HydrophobicContact CG-CD1 4.08Å; K408-Y448 HydrophobicContact CG-CE1 3.7Å; K409-Y448 WeakPolarHBondContact CE-O 3.48Å; K444-Y448 WeakPolarHBondContact CA-O 3.41Å; D445-Y448 PolarHBondContact N-O 2.97Å; D445-Y448 VanDerWaalsContact N-O 3.16Å; D445-Y448 PolarHBondContact OD1-N 3.06Å; Y448-P675 HydrophobicContact CE1-CG 4.17Å; Y448-P675 HydrophobicContact CE2-CG 4.37Å; Y448-P675 VanDerWaalsContact CZ-CD 3.48Å; Y448-P675 WeakPolarHBondContact OH-CD 3.18Å
449	L	96.9	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.4	160.6	-59.2	179.6	0	0	0	109.2	I406 L407 K409 I412 I421 K444 W682 D683 F686	I406-L449 WeakPolarHBondContact CA-O 3.49Å; L407-L449 HydrophobicContact CB-CB 4.36Å; L407-L449 PolarHBondContact N-O 3.47Å; L407-L449 PolarHBondContact O-N 3.43Å; K409-L449 HydrophobicContact CG-CD2 4.39Å; K409-L449 HydrophobicContact CG-CG 4.08Å; I412-L449 HydrophobicContact CD1-CD1 4.15Å; I421-L449 HydrophobicContact CG2-CD1 4.08Å; K444-L449 HydrophobicContact CB-CD2 3.72Å; L449-W682 HydrophobicContact CD1-CH2 3.46Å; L449-W682 VanDerWaalsContact CD1-CH2 3.46Å; L449-W682 HydrophobicContact CD1-CZ2 4.1Å; L449-W682 HydrophobicContact CD1-CZ3 4.12Å; L449-D683 HydrophobicContact CD2-CB 3.74Å; L449-F686 HydrophobicContact CB-CD1 4.43Å; L449-F686 HydrophobicContact CD1-CD1 4.07Å; L449-F686 HydrophobicContact CD1-CD2 4.28Å; L449-F686 HydrophobicContact CD1-CE1 3.92Å; L449-F686 HydrophobicContact CD1-CE2 4.12Å; L449-F686 HydrophobicContact CD1-CG 4.26Å; L449-F686 HydrophobicContact CD1-CZ 3.99Å; L449-F686 HydrophobicContact CD2-CB 4.02Å; L449-F686 HydrophobicContact CD2-CD1 4.19Å; L449-F686 HydrophobicContact CD2-CD2 4.33Å; L449-F686 HydrophobicContact CD2-CG 3.93Å; L449-F686 HydrophobicContact CG-CD1 4.47Å
450	Y	97.4	Very high	96.2	Very high	26 Å²	26	26.7 Å²	26.7	10%	0.102	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.5	-177.8	-55	-98	0	0	0	109.4	L372 M404 K405 I406 T442 F443 D445	L372-Y450 HydrophobicContact CD1-CD2 3.74Å; L372-Y450 HydrophobicContact CD1-CE1 4.47Å; L372-Y450 HydrophobicContact CD1-CE2 3.6Å; L372-Y450 HydrophobicContact CD1-CG 4.25Å; L372-Y450 HydrophobicContact CD2-CD1 3.81Å; L372-Y450 HydrophobicContact CD2-CD2 4.05Å; L372-Y450 HydrophobicContact CD2-CE1 4.27Å; L372-Y450 HydrophobicContact CD2-CE2 4.49Å; L372-Y450 HydrophobicContact CD2-CG 3.7Å; M404-Y450 HydrophobicContact CG-CD1 4.19Å; M404-Y450 HydrophobicContact SD-CD1 3.65Å; M404-Y450 HydrophobicContact SD-CE1 4.45Å; M404-Y450 HydrophobicContact SD-CG 4.41Å; K405-Y450 CarbonylContact O-C 3.54Å; K405-Y450 VanDerWaalsContact O-CA 3.31Å; K405-Y450 WeakPolarHBondContact O-CA 3.44Å; I406-Y450 HydrophobicContact CB-CD1 4.39Å; I406-Y450 HydrophobicContact CB-CE1 4.45Å; I406-Y450 HydrophobicContact CD1-CD1 4.37Å; I406-Y450 HydrophobicContact CD1-CE1 4.19Å; I406-Y450 HydrophobicContact CG1-CD1 3.88Å; I406-Y450 HydrophobicContact CG1-CE1 4.08Å; I406-Y450 HydrophobicContact CG2-CD1 4.08Å; I406-Y450 HydrophobicContact CG2-CE1 3.73Å; T442-Y450 CarbonylContact C-O 3.5Å; T442-Y450 WeakPolarHBondContact CA-O 3.35Å; T442-Y450 WeakPolarHBondContact CB-O 3.3Å; F443-Y450 HydrophobicContact CB-CD2 4.17Å; F443-Y450 HydrophobicContact CB-CG 4.38Å; F443-Y450 PolarHBondContact N-O 3.09Å; F443-Y450 PolarHBondContact O-N 2.9Å; D445-Y450 HydrophobicContact CB-CE2 4.5Å; D445-Y450 PolarHBondContact OD2-OH 3.18Å; D445-Y450 VanDerWaalsContact OD2-OH 3.06Å
451	M	97.3	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.3	172.3	-56.8	178.5	174	0	0	108.9	M404 K405 L407 I421 K425 L439 T442 M453 F686	M404-M451 WeakPolarHBondContact CA-O 3.42Å; K405-M451 HydrophobicContact CB-CB 4.22Å; K405-M451 HydrophobicContact CD-SD 4.24Å; K405-M451 PolarHBondContact N-O 3.04Å; K405-M451 PolarHBondContact O-N 3.19Å; L407-M451 HydrophobicContact CD1-CE 4.08Å; L407-M451 HydrophobicContact CD1-SD 4.49Å; I421-M451 HydrophobicContact CG2-CE 3.81Å; K425-M451 HydrophobicContact CB-CE 4.22Å; L439-M451 HydrophobicContact CD1-CB 3.81Å; T442-M451 HydrophobicContact CG2-CG 4.14Å; M451-M453 HydrophobicContact CB-CG 4.45Å; M451-F686 HydrophobicContact CE-CE1 3.91Å
452	L	97.8	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112	180	-175.7	76.3	0	0	0	110	F367 F375 V392 F402 M404 L439 Y440 R441 F443	F367-L452 HydrophobicContact CD1-CD2 3.95Å; F367-L452 HydrophobicContact CE1-CD2 4.16Å; F375-L452 HydrophobicContact CE1-CD1 3.95Å; F375-L452 HydrophobicContact CE1-CD2 4.22Å; F375-L452 HydrophobicContact CE2-CD1 4.47Å; F375-L452 HydrophobicContact CE2-CD2 4.34Å; F375-L452 HydrophobicContact CZ-CD1 3.92Å; F375-L452 HydrophobicContact CZ-CD2 3.6Å; F375-L452 HydrophobicContact CZ-CG 4.44Å; V392-L452 HydrophobicContact CG2-CD1 3.96Å; F402-L452 HydrophobicContact CB-CD1 3.46Å; F402-L452 VanDerWaalsContact CB-CD1 3.46Å; F402-L452 HydrophobicContact CB-CG 4.14Å; F402-L452 HydrophobicContact CD1-CD1 4.5Å; F402-L452 HydrophobicContact CD1-CG 4.41Å; F402-L452 HydrophobicContact CD2-CD1 4.29Å; F402-L452 HydrophobicContact CG-CD1 3.84Å; F402-L452 HydrophobicContact CG-CG 4.23Å; M404-L452 HydrophobicContact CE-CD1 3.92Å; L439-L452 WeakPolarHBondContact CD1-O 3.44Å; Y440-L452 PolarHBondContact N-O 3.4Å; R441-L452 PolarHBondContact N-O 3.31Å; R441-L452 WeakPolarHBondContact O-CB 3.5Å; R441-L452 PolarHBondContact O-N 2.78Å; F443-L452 HydrophobicContact CE2-CB 4.01Å; F443-L452 HydrophobicContact CE2-CD2 4.32Å; F443-L452 HydrophobicContact CZ-CD2 4.49Å
453	M	97.2	Very high	96.1	Very high	21 Å²	21	23.4 Å²	23.4	10%	0.103	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	164.7	-169.8	-55	177.8	-58.9	0	0	112.2	V389 F402 A403 K405 M428 V437 R438 L439 M451 A455	V389-M453 HydrophobicContact CG1-CE 4.42Å; F402-M453 WeakPolarHBondContact CA-O 3.44Å; F402-M453 WeakPolarHBondContact CB-O 3.31Å; A403-M453 HydrophobicContact CB-CB 4.4Å; A403-M453 HydrophobicContact CB-CE 4.23Å; A403-M453 PolarHBondContact N-O 3.44Å; A403-M453 WeakPolarHBondContact O-CB 3.49Å; A403-M453 PolarHBondContact O-N 2.69Å; K405-M453 HydrophobicContact CB-CE 3.7Å; K405-M453 HydrophobicContact CB-SD 4.49Å; M428-M453 HydrophobicContact CE-CG 4.44Å; M428-M453 HydrophobicContact CE-SD 3.81Å; V437-M453 HydrophobicContact CG1-CB 3.98Å; R438-M453 CarbonylContact O-C 3.57Å; R438-M453 WeakPolarHBondContact O-CA 3.45Å; L439-M453 HydrophobicContact CD1-CG 4Å; M451-M453 HydrophobicContact CB-CG 4.45Å; M453-A455 PolarHBondContact O-N 3.45Å
454	E	96.3	Very high	96.1	Very high	41 Å²	41	24 Å²	24	19%	0.192	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	129.5	168.6	179.5	-176.8	-165.8	0	0	111.6	V437 R438 Y440 C456 K514	V437-E454 HydrophobicContact CG1-CB 4.23Å; R438-E454 HydrophobicContact CB-CB 4.1Å; R438-E454 PolarHBondContact N-OE2 2.9Å; R438-E454 PolarHBondContact O-N 2.89Å; Y440-E454 HydrophobicContact CE2-CB 4.09Å; E454-C456 PolarHBondContact O-N 3.19Å; E454-K514 VanDerWaalsContact CD-NZ 3.25Å; E454-K514 WeakPolarHBondContact OE1-CE 3.3Å; E454-K514 IonicContact OE1-NZ 3.02Å; E454-K514 PolarHBondContact OE1-NZ 3.29Å; E454-K514 IonicContact OE2-NZ 3.44Å; E454-K514 PolarHBondContact OE2-NZ 3.09Å
455	A	96.9	Very high	96.1	Very high	22 Å²	22	20.5 Å²	20.5	18%	0.182	11%	0.107	C	C	.	.			trans	-83	111.9	173.9	0	0	0	0	0	110.8	L391 M453 L457	L391-A455 HydrophobicContact CD1-CB 3.97Å; M453-A455 PolarHBondContact O-N 3.45Å; A455-L457 HydrophobicContact CB-CD2 4.31Å
456	C	96.9	Very high	95.9	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.027	11%	0.106	C	C	.	.			trans	-101.6	89.4	176.5	-65	0	0	0	0	110.1	E454 G458 I506 L507 K514 F664	E454-C456 PolarHBondContact O-N 3.19Å; C456-G458 PolarHBondContact O-N 3.36Å; C456-I506 HydrophobicContact CB-CB 4.22Å; C456-I506 HydrophobicContact CB-CD1 3.91Å; C456-I506 HydrophobicContact CB-CG1 3.76Å; C456-I506 HydrophobicContact CB-CG2 3.49Å; C456-I506 VanDerWaalsContact CB-CG2 3.49Å; C456-I506 WeakPolarHBondContact O-CD1 3.48Å; C456-L507 CarbonylContact C-O 3.5Å; C456-L507 VanDerWaalsContact C-O 3.26Å; C456-L507 WeakPolarHBondContact CB-O 3.21Å; C456-K514 VanDerWaalsContact SG-CD 3.51Å; C456-F664 WeakPolarHBondContact O-CZ 3.32Å
457	L	96.8	Very high	95.7	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.052	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	7	-168.2	-58.8	178.1	0	0	0	115.6	L391 A455 G459 V655 A658 N663 F664	L391-L457 HydrophobicContact CD1-CD2 3.96Å; L391-L457 HydrophobicContact CD2-CD2 4.23Å; A455-L457 HydrophobicContact CB-CD2 4.31Å; L457-G459 VanDerWaalsContact C-N 3.3Å; L457-V655 HydrophobicContact CB-CG1 3.93Å; L457-V655 HydrophobicContact CB-CG2 4.15Å; L457-V655 HydrophobicContact CD1-CG1 3.98Å; L457-A658 WeakPolarHBondContact CD1-O 3.3Å; L457-N663 PolarHBondContact O-ND2 3.5Å; L457-F664 HydrophobicContact CD2-CE2 4.32Å
458	G	96.3	Very high	95.7	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.6	179.3	0	0	0	0	0	114.6	C456 L507	C456-G458 PolarHBondContact O-N 3.36Å; G458-L507 WeakPolarHBondContact CA-O 3.03Å; G458-L507 PolarHBondContact N-O 3.16Å
459	G	94.9	Very high	95.7	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	14%	0.139	C	C	.	.			trans	82.9	174.5	179.1	0	0	0	0	0	114.1	L457 I506 L507	L457-G459 VanDerWaalsContact C-N 3.3Å; G459-I506 WeakPolarHBondContact O-CG1 3.43Å; G459-L507 PolarHBondContact O-N 3.24Å
460	E	94.6	Very high	95.7	Very high	37 Å²	37	30.2 Å²	30.2	17%	0.173	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-74.6	134.9	179.4	-65.1	174.7	-173.1	0	0	111.2	K73 W462 T463 I464	K73-E460 WeakPolarHBondContact CE-OE2 3.44Å; K73-E460 IonicContact NZ-OE1 2.91Å; K73-E460 PolarHBondContact NZ-OE1 3.23Å; K73-E460 IonicContact NZ-OE2 2.82Å; K73-E460 PolarHBondContact NZ-OE2 2.8Å; E460-W462 PolarHBondContact O-N 3.41Å; E460-T463 PolarHBondContact O-N 3.34Å; E460-I464 PolarHBondContact O-N 3.5Å
461	L	96.6	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-31.2	175.5	-169.5	65.5	0	0	0	111.5	I464 L465 F471 Y479 L505 L507 L566	L461-I464 PolarHBondContact O-N 3.06Å; L461-L465 WeakPolarHBondContact O-CB 3.43Å; L461-L465 PolarHBondContact O-N 2.97Å; L461-F471 HydrophobicContact CD1-CE2 3.65Å; L461-F471 HydrophobicContact CD1-CZ 3.89Å; L461-F471 HydrophobicContact CD2-CE2 4.43Å; L461-F471 HydrophobicContact CG-CE2 4Å; L461-F471 HydrophobicContact CG-CZ 4.38Å; L461-Y479 HydrophobicContact CD1-CD1 4.33Å; L461-Y479 HydrophobicContact CD1-CD2 3.83Å; L461-Y479 HydrophobicContact CD1-CE1 4.19Å; L461-Y479 HydrophobicContact CD1-CE2 3.63Å; L461-Y479 HydrophobicContact CD1-CG 4.16Å; L461-Y479 HydrophobicContact CD2-CD2 4.26Å; L461-Y479 HydrophobicContact CD2-CG 4.08Å; L461-L505 HydrophobicContact CB-CB 3.84Å; L461-L505 WeakPolarHBondContact CB-O 3.07Å; L461-L505 HydrophobicContact CD2-CB 4.03Å; L461-L505 HydrophobicContact CD2-CD1 3.63Å; L461-L505 HydrophobicContact CD2-CG 4.47Å; L461-L505 PolarHBondContact N-O 3.36Å; L461-L507 HydrophobicContact CD1-CD2 4.28Å; L461-L566 HydrophobicContact CD2-CD2 4Å
462	W	94.7	Very high	95.7	Very high	17 Å²	17	36.3 Å²	36.3	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-48.4	174.5	178.8	85	0	0	0	113.2	R71 K73 E460 I464 L465 R466 P502 E503	R71-W462 HydrophobicContact CB-CZ2 4.49Å; R71-W462 WeakPolarHBondContact O-CH2 3.48Å; R71-W462 WeakPolarHBondContact O-CZ2 3.33Å; K73-W462 HydrophobicContact CD-CE3 4.48Å; K73-W462 HydrophobicContact CD-CZ3 4.33Å; K73-W462 HydrophobicContact CG-CD2 4.24Å; K73-W462 HydrophobicContact CG-CE3 3.99Å; K73-W462 HydrophobicContact CG-CH2 3.64Å; K73-W462 HydrophobicContact CG-CZ2 3.88Å; K73-W462 HydrophobicContact CG-CZ3 3.7Å; E460-W462 PolarHBondContact O-N 3.41Å; W462-I464 VanDerWaalsContact C-N 3.3Å; W462-I464 PolarHBondContact O-N 3.36Å; W462-L465 PolarHBondContact O-N 3.4Å; W462-R466 VanDerWaalsContact CZ3-NH1 3.28Å; W462-R466 WeakPolarHBondContact O-CB 3.19Å; W462-R466 PolarHBondContact O-N 2.84Å; W462-P502 HydrophobicContact CB-CB 3.86Å; W462-P502 PolarHBondContact N-O 3.48Å; W462-E503 HydrophobicContact CB-CB 4.48Å; W462-E503 HydrophobicContact CB-CG 4.01Å; W462-E503 VanDerWaalsContact CD1-CD 3.43Å; W462-E503 HydrophobicContact CD2-CG 4.31Å; W462-E503 HydrophobicContact CG-CG 3.73Å
463	T	92.1	Very high	95.7	Very high	20 Å²	20	37.8 Å²	37.8	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-45.4	178.7	-60.3	0	0	0	0	110.1	E460 L465 R466 D467	E460-T463 PolarHBondContact O-N 3.34Å; T463-L465 PolarHBondContact O-N 3.11Å; T463-R466 WeakPolarHBondContact O-CB 3.4Å; T463-R466 PolarHBondContact O-N 3.49Å; T463-D467 WeakPolarHBondContact O-CB 3.39Å; T463-D467 PolarHBondContact O-N 3.15Å
464	I	95.3	Very high	95.7	Very high	30 Å²	30	40 Å²	40	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-40.8	178.4	-57.6	171.3	0	0	0	111.3	E460 L461 W462 R468 F471 L507 I651	E460-I464 PolarHBondContact O-N 3.5Å; L461-I464 PolarHBondContact O-N 3.06Å; W462-I464 VanDerWaalsContact C-N 3.3Å; W462-I464 PolarHBondContact O-N 3.36Å; I464-R468 WeakPolarHBondContact O-CB 2.83Å; I464-R468 WeakPolarHBondContact O-CG 3.4Å; I464-R468 PolarHBondContact O-N 3.3Å; I464-F471 HydrophobicContact CB-CZ 4.32Å; I464-F471 HydrophobicContact CG2-CE1 3.98Å; I464-F471 HydrophobicContact CG2-CZ 3.93Å; I464-L507 HydrophobicContact CD1-CD1 3.46Å; I464-L507 VanDerWaalsContact CD1-CD1 3.46Å; I464-L507 HydrophobicContact CD1-CG 4.29Å; I464-I651 HydrophobicContact CG2-CD1 3.62Å
465	L	96.3	Very high	95.8	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-44.9	176.8	179.7	68.4	0	0	0	111.6	L461 W462 T463 D467 R468 G469 F471 P502 E565 L566	L461-L465 WeakPolarHBondContact O-CB 3.43Å; L461-L465 PolarHBondContact O-N 2.97Å; W462-L465 PolarHBondContact O-N 3.4Å; T463-L465 PolarHBondContact O-N 3.11Å; L465-D467 VanDerWaalsContact C-N 3.34Å; L465-D467 PolarHBondContact O-N 3.1Å; L465-R468 PolarHBondContact O-N 3.43Å; L465-G469 CarbonylContact O-C 3.39Å; L465-G469 WeakPolarHBondContact O-CA 3.39Å; L465-G469 PolarHBondContact O-N 2.79Å; L465-F471 HydrophobicContact CB-CE1 4.2Å; L465-F471 HydrophobicContact CB-CE2 4.33Å; L465-F471 HydrophobicContact CB-CZ 3.81Å; L465-F471 HydrophobicContact CD1-CD1 4.06Å; L465-F471 HydrophobicContact CD1-CD2 4.16Å; L465-F471 HydrophobicContact CD1-CE1 4.02Å; L465-F471 HydrophobicContact CD1-CE2 4.13Å; L465-F471 HydrophobicContact CD1-CG 4.12Å; L465-F471 HydrophobicContact CD1-CZ 4.06Å; L465-P502 HydrophobicContact CD2-CB 4.44Å; L465-P502 HydrophobicContact CD2-CG 4.09Å; L465-E565 HydrophobicContact CD2-CG 4.05Å; L465-L566 HydrophobicContact CD1-CD2 4.32Å; L465-L566 HydrophobicContact CD2-CD2 4.14Å
466	R	93.1	Very high	95.9	Very high	81 Å²	81	37.5 Å²	37.5	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-57.3	-49.4	177.1	-179.8	-165.6	69.7	-163.8	1.5	110.4	R71 W462 T463 R468 G469	R71-R466 HydrophobicContact CB-CG 4.46Å; W462-R466 VanDerWaalsContact CZ3-NH1 3.28Å; W462-R466 WeakPolarHBondContact O-CB 3.19Å; W462-R466 PolarHBondContact O-N 2.84Å; T463-R466 WeakPolarHBondContact O-CB 3.4Å; T463-R466 PolarHBondContact O-N 3.49Å; R466-R468 VanDerWaalsContact C-N 3.34Å; R466-R468 PolarHBondContact O-N 3.48Å; R466-G469 PolarHBondContact O-N 2.92Å
467	D	92.1	Very high	96	Very high	109 Å²	109	40 Å²	40	58%	0.583	20%	0.203	S	C	*	.	H	α-helix	trans	-71.4	-29.8	-175	-62.5	-7.4	0	0	0	112.3	T463 L465	T463-D467 WeakPolarHBondContact O-CB 3.39Å; T463-D467 PolarHBondContact O-N 3.15Å; L465-D467 VanDerWaalsContact C-N 3.34Å; L465-D467 PolarHBondContact O-N 3.1Å
468	R	94.6	Very high	96.1	Very high	138 Å²	138	39.8 Å²	39.8	52%	0.521	20%	0.201	S	C	.	.	H	α-helix	trans	-90.1	-10	175.3	-65.4	-171.8	-176.8	-160.9	0.9	114.2	I464 L465 R466 S470 F471	I464-R468 WeakPolarHBondContact O-CB 2.83Å; I464-R468 WeakPolarHBondContact O-CG 3.4Å; I464-R468 PolarHBondContact O-N 3.3Å; L465-R468 PolarHBondContact O-N 3.43Å; R466-R468 VanDerWaalsContact C-N 3.34Å; R466-R468 PolarHBondContact O-N 3.48Å; R468-S470 PolarHBondContact O-N 2.83Å; R468-F471 HydrophobicContact CB-CD1 4.47Å; R468-F471 HydrophobicContact CB-CE1 4.27Å
469	G	95.3	Very high	96.2	Very high	28 Å²	28	39.7 Å²	39.7	29%	0.289	20%	0.2	S	C	.	.	S	Bend	trans	76	-53.7	-173.2	0	0	0	0	0	114.1	R71 L465 R466 G569	R71-G469 PolarHBondContact NH1-O 2.91Å; L465-G469 CarbonylContact O-C 3.39Å; L465-G469 WeakPolarHBondContact O-CA 3.39Å; L465-G469 PolarHBondContact O-N 2.79Å; R466-G469 PolarHBondContact O-N 2.92Å; G469-G569 WeakPolarHBondContact O-CA 3.46Å
470	S	96.6	Very high	96.4	Very high	43 Å²	43	39.6 Å²	39.6	30%	0.301	20%	0.199	S	C	.	.	S	Bend	trans	-156.7	162.8	175.7	57	0	0	0	0	111.6	R468	R468-S470 PolarHBondContact O-N 2.83Å
471	F	98.3	Very high	96.6	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.053	19%	0.191	C	C	.	.			trans	-101.5	154.6	177.4	-63.8	-19.9	0	0	0	113.3	L461 I464 L465 R468 T475 Y479 L566 I651	L461-F471 HydrophobicContact CD1-CE2 3.65Å; L461-F471 HydrophobicContact CD1-CZ 3.89Å; L461-F471 HydrophobicContact CD2-CE2 4.43Å; L461-F471 HydrophobicContact CG-CE2 4Å; L461-F471 HydrophobicContact CG-CZ 4.38Å; I464-F471 HydrophobicContact CB-CZ 4.32Å; I464-F471 HydrophobicContact CG2-CE1 3.98Å; I464-F471 HydrophobicContact CG2-CZ 3.93Å; L465-F471 HydrophobicContact CB-CE1 4.2Å; L465-F471 HydrophobicContact CB-CE2 4.33Å; L465-F471 HydrophobicContact CB-CZ 3.81Å; L465-F471 HydrophobicContact CD1-CD1 4.06Å; L465-F471 HydrophobicContact CD1-CD2 4.16Å; L465-F471 HydrophobicContact CD1-CE1 4.02Å; L465-F471 HydrophobicContact CD1-CE2 4.13Å; L465-F471 HydrophobicContact CD1-CG 4.12Å; L465-F471 HydrophobicContact CD1-CZ 4.06Å; R468-F471 HydrophobicContact CB-CD1 4.47Å; R468-F471 HydrophobicContact CB-CE1 4.27Å; F471-T475 HydrophobicContact CB-CG2 3.86Å; F471-T475 HydrophobicContact CD1-CG2 4.31Å; F471-T475 HydrophobicContact CD2-CG2 3.88Å; F471-T475 HydrophobicContact CG-CG2 3.76Å; F471-Y479 HydrophobicContact CD2-CD2 4.23Å; F471-Y479 HydrophobicContact CD2-CE2 4.44Å; F471-Y479 HydrophobicContact CE2-CD2 4.1Å; F471-Y479 HydrophobicContact CE2-CE2 4.13Å; F471-L566 HydrophobicContact CD2-CB 4.21Å; F471-L566 HydrophobicContact CD2-CD2 3.79Å; F471-L566 HydrophobicContact CD2-CG 4.46Å; F471-L566 HydrophobicContact CE2-CD2 3.71Å; F471-L566 PolarHBondContact N-O 3.48Å; F471-I651 HydrophobicContact CE1-CD1 4.34Å; F471-I651 HydrophobicContact CZ-CD1 4.37Å
472	E	97.4	Very high	96.7	Very high	143 Å²	143	38 Å²	38	67%	0.668	19%	0.192	S	C	*	.			trans	-71	158.6	170.5	-62	-178.5	179.4	0	0	111.6	S474 T475 T476	E472-S474 VanDerWaalsContact C-N 3.28Å; E472-S474 PolarHBondContact O-N 2.99Å; E472-T475 PolarHBondContact O-N 3.25Å; E472-T476 PolarHBondContact O-N 2.92Å; E472-T476 PolarHBondContact O-OG1 3.47Å
473	D	97.2	Very high	96.9	Very high	31 Å²	31	37.2 Å²	37.2	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-54.6	-41.2	-178.2	-169.6	94.4	0	0	0	112.8	R477 L567 T599 W633	D473-R477 VanDerWaalsContact O-CB 3.23Å; D473-R477 WeakPolarHBondContact O-CB 3.34Å; D473-R477 PolarHBondContact O-N 2.87Å; D473-R477 IonicContact OD2-CZ 2.69Å; D473-R477 IonicContact OD2-NE 3.44Å; D473-R477 IonicContact OD2-NH2 3.48Å; D473-R477 PolarHBondContact OD2-NH2 3.34Å; D473-L567 HydrophobicContact CB-CD2 4.48Å; D473-T599 HydrophobicContact CB-CG2 4.23Å; D473-T599 WeakPolarHBondContact OD1-CG2 3.5Å; D473-T599 PolarHBondContact OD1-OG1 3.45Å; D473-W633 VanDerWaalsContact CG-NE1 3.35Å; D473-W633 PolarHBondContact OD1-NE1 3.3Å; D473-W633 PolarHBondContact OD2-NE1 2.87Å; D473-W633 VanDerWaalsContact OD2-NE1 3.16Å
474	S	97.8	Very high	97.2	Very high	67 Å²	67	36.3 Å²	36.3	47%	0.469	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-40	177.3	56	0	0	0	0	113	E472 R477 F478	E472-S474 VanDerWaalsContact C-N 3.28Å; E472-S474 PolarHBondContact O-N 2.99Å; S474-R477 WeakPolarHBondContact O-CB 3.33Å; S474-R477 PolarHBondContact O-N 3Å; S474-F478 PolarHBondContact O-N 3.31Å; S474-F478 VanDerWaalsContact O-N 3.1Å
475	T	98.6	Very high	97.3	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-47.3	178.5	-63	0	0	0	0	110.1	F471 E472 R477 F478 Y479 P650 I651	F471-T475 HydrophobicContact CB-CG2 3.86Å; F471-T475 HydrophobicContact CD1-CG2 4.31Å; F471-T475 HydrophobicContact CD2-CG2 3.88Å; F471-T475 HydrophobicContact CG-CG2 3.76Å; E472-T475 PolarHBondContact O-N 3.25Å; T475-R477 VanDerWaalsContact C-N 3.28Å; T475-R477 PolarHBondContact O-N 3.28Å; T475-F478 PolarHBondContact O-N 2.96Å; T475-Y479 HydrophobicContact CG2-CD2 3.94Å; T475-Y479 HydrophobicContact CG2-CE2 3.55Å; T475-Y479 VanDerWaalsContact O-CD2 3.28Å; T475-Y479 WeakPolarHBondContact O-CD2 3.47Å; T475-Y479 PolarHBondContact O-N 3.38Å; T475-P650 HydrophobicContact CG2-CB 4.06Å; T475-P650 HydrophobicContact CG2-CG 3.89Å; T475-I651 HydrophobicContact CG2-CD1 4.21Å; T475-I651 HydrophobicContact CG2-CG1 4.42Å
476	T	98.7	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-40.5	174	-61	0	0	0	0	111.4	E472 F478 Y479 T480 L566 L567 W633	E472-T476 PolarHBondContact O-N 2.92Å; E472-T476 PolarHBondContact O-OG1 3.47Å; T476-F478 PolarHBondContact O-N 3.46Å; T476-Y479 PolarHBondContact O-N 3.16Å; T476-T480 VanDerWaalsContact O-CB 3.24Å; T476-T480 WeakPolarHBondContact O-CB 3.35Å; T476-T480 PolarHBondContact O-N 3.42Å; T476-T480 PolarHBondContact O-OG1 3.48Å; T476-L566 HydrophobicContact CG2-CB 3.7Å; T476-L566 HydrophobicContact CG2-CD1 3.99Å; T476-L566 HydrophobicContact CG2-CG 4.5Å; T476-L567 HydrophobicContact CG2-CD2 4.26Å; T476-L567 HydrophobicContact CG2-CG 3.99Å; T476-W633 HydrophobicContact CG2-CH2 4.06Å; T476-W633 HydrophobicContact CG2-CZ2 4.11Å
477	R	98.7	Very high	97.7	Very high	57 Å²	57	31.7 Å²	31.7	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-44.1	177.3	-167.5	-174.3	-53.4	-175.8	2.5	112.8	D473 S474 T475 A481 W633 F634 E635 F637	D473-R477 VanDerWaalsContact O-CB 3.23Å; D473-R477 WeakPolarHBondContact O-CB 3.34Å; D473-R477 PolarHBondContact O-N 2.87Å; D473-R477 IonicContact OD2-CZ 2.69Å; D473-R477 IonicContact OD2-NE 3.44Å; D473-R477 IonicContact OD2-NH2 3.48Å; D473-R477 PolarHBondContact OD2-NH2 3.34Å; S474-R477 WeakPolarHBondContact O-CB 3.33Å; S474-R477 PolarHBondContact O-N 3Å; T475-R477 VanDerWaalsContact C-N 3.28Å; T475-R477 PolarHBondContact O-N 3.28Å; R477-A481 WeakPolarHBondContact O-CB 3.35Å; R477-A481 PolarHBondContact O-N 3.26Å; R477-W633 HydrophobicContact CB-CH2 3.84Å; R477-W633 HydrophobicContact CB-CZ2 3.79Å; R477-W633 HydrophobicContact CB-CZ3 4.33Å; R477-W633 HydrophobicContact CG-CE3 4.29Å; R477-W633 HydrophobicContact CG-CH2 4.14Å; R477-W633 HydrophobicContact CG-CZ2 4.27Å; R477-W633 HydrophobicContact CG-CZ3 4.12Å; R477-W633 PolarHBondContact NE-O 3.03Å; R477-W633 VanDerWaalsContact NE-O 3.08Å; R477-W633 PolarHBondContact NH1-O 3.14Å; R477-W633 PolarHBondContact NH2-O 2.68Å; R477-F634 HydrophobicContact CG-CD1 3.58Å; R477-F634 HydrophobicContact CG-CE1 3.59Å; R477-E635 PolarHBondContact NH1-O 3.06Å; R477-F637 HydrophobicContact CG-CD2 3.95Å; R477-F637 HydrophobicContact CG-CE2 4.34Å
478	F	98.9	Very high	97.7	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.022	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-49.8	178	-178.2	-90	0	0	0	112.3	S474 T475 T476 A481 C482 Y512 L642 L647 P649 P650	S474-F478 PolarHBondContact O-N 3.31Å; S474-F478 VanDerWaalsContact O-N 3.1Å; T475-F478 PolarHBondContact O-N 2.96Å; T476-F478 PolarHBondContact O-N 3.46Å; F478-A481 WeakPolarHBondContact O-CB 3.35Å; F478-A481 PolarHBondContact O-N 3.03Å; F478-C482 PolarHBondContact O-N 2.93Å; F478-C482 VanDerWaalsContact O-N 3.1Å; F478-C482 PolarHBondContact O-SG 2.91Å; F478-Y512 HydrophobicContact CE2-CE1 4.34Å; F478-Y512 AromaticContact CZ-CD1 3.86Å; F478-Y512 HydrophobicContact CZ-CD1 3.86Å; F478-Y512 HydrophobicContact CZ-CD2 4.41Å; F478-Y512 AromaticContact CZ-CE1 3.85Å; F478-Y512 HydrophobicContact CZ-CE1 3.85Å; F478-Y512 HydrophobicContact CZ-CE2 4.39Å; F478-Y512 HydrophobicContact CZ-CG 4.16Å; F478-L642 HydrophobicContact CD2-CD1 4.04Å; F478-L642 HydrophobicContact CE2-CD1 3.52Å; F478-L642 HydrophobicContact CZ-CD1 3.87Å; F478-L647 HydrophobicContact CD2-CD2 3.31Å; F478-L647 HydrophobicContact CE2-CD2 3.36Å; F478-P649 HydrophobicContact CE1-CB 3.85Å; F478-P649 HydrophobicContact CE1-CG 4.3Å; F478-P649 HydrophobicContact CE2-CB 4.3Å; F478-P649 HydrophobicContact CE2-CG 4.32Å; F478-P649 HydrophobicContact CZ-CB 3.68Å; F478-P649 HydrophobicContact CZ-CG 3.7Å; F478-P650 HydrophobicContact CB-CG 3.9Å; F478-P650 HydrophobicContact CD1-CG 3.97Å; F478-P650 HydrophobicContact CG-CG 4Å
479	Y	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.9	-36.3	-178.8	-64	-52.5	0	0	0	112.8	L461 F471 T475 T476 A481 C482 V483 L507 A513 P650 I651	L461-Y479 HydrophobicContact CD1-CD1 4.33Å; L461-Y479 HydrophobicContact CD1-CD2 3.83Å; L461-Y479 HydrophobicContact CD1-CE1 4.19Å; L461-Y479 HydrophobicContact CD1-CE2 3.63Å; L461-Y479 HydrophobicContact CD1-CG 4.16Å; L461-Y479 HydrophobicContact CD2-CD2 4.26Å; L461-Y479 HydrophobicContact CD2-CG 4.08Å; F471-Y479 HydrophobicContact CD2-CD2 4.23Å; F471-Y479 HydrophobicContact CD2-CE2 4.44Å; F471-Y479 HydrophobicContact CE2-CD2 4.1Å; F471-Y479 HydrophobicContact CE2-CE2 4.13Å; T475-Y479 HydrophobicContact CG2-CD2 3.94Å; T475-Y479 HydrophobicContact CG2-CE2 3.55Å; T475-Y479 VanDerWaalsContact O-CD2 3.28Å; T475-Y479 WeakPolarHBondContact O-CD2 3.47Å; T475-Y479 PolarHBondContact O-N 3.38Å; T476-Y479 PolarHBondContact O-N 3.16Å; Y479-A481 VanDerWaalsContact C-N 3.26Å; Y479-A481 PolarHBondContact O-N 3.44Å; Y479-C482 WeakPolarHBondContact O-CB 3.4Å; Y479-C482 PolarHBondContact O-N 3.32Å; Y479-V483 WeakPolarHBondContact O-CG2 3.38Å; Y479-V483 PolarHBondContact O-N 3.37Å; Y479-V483 VanDerWaalsContact O-N 3.14Å; Y479-L507 HydrophobicContact CD1-CD2 4.2Å; Y479-L507 HydrophobicContact CE1-CD1 4.44Å; Y479-L507 HydrophobicContact CE1-CD2 3.54Å; Y479-A513 HydrophobicContact CD1-CB 3.69Å; Y479-A513 HydrophobicContact CE1-CB 4.27Å; Y479-P650 HydrophobicContact CE2-CG 4.04Å; Y479-I651 HydrophobicContact CE2-CD1 4.01Å; Y479-I651 HydrophobicContact CE2-CG1 4.41Å; Y479-I651 VanDerWaalsContact OH-CB 3.24Å; Y479-I651 WeakPolarHBondContact OH-CB 3.41Å; Y479-I651 WeakPolarHBondContact OH-CD1 3.44Å; Y479-I651 WeakPolarHBondContact OH-CG1 3.32Å
480	T	98.9	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-40.3	171.6	-54.9	0	0	0	0	110.4	T476 C482 V483 V484 L559 M563 W633 F634	T476-T480 VanDerWaalsContact O-CB 3.24Å; T476-T480 WeakPolarHBondContact O-CB 3.35Å; T476-T480 PolarHBondContact O-N 3.42Å; T476-T480 PolarHBondContact O-OG1 3.48Å; T480-C482 PolarHBondContact O-N 2.6Å; T480-V483 PolarHBondContact O-N 3.49Å; T480-V484 HydrophobicContact CG2-CG2 4.36Å; T480-V484 VanDerWaalsContact O-CG2 3.23Å; T480-V484 WeakPolarHBondContact O-CG2 3.48Å; T480-V484 PolarHBondContact O-N 3.44Å; T480-L559 HydrophobicContact CG2-CD1 3.79Å; T480-L559 HydrophobicContact CG2-CG 4.24Å; T480-M563 HydrophobicContact CG2-CG 3.65Å; T480-M563 HydrophobicContact CG2-SD 3.83Å; T480-W633 HydrophobicContact CG2-CH2 4.18Å; T480-W633 HydrophobicContact CG2-CZ3 3.83Å; T480-F634 HydrophobicContact CG2-CZ 4.06Å
481	A	98.8	Very high	97.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-38.6	177.1	0	0	0	0	0	112.9	R477 F478 Y479 V483 V484 E485 F634 F637 W639 L642	R477-A481 WeakPolarHBondContact O-CB 3.35Å; R477-A481 PolarHBondContact O-N 3.26Å; F478-A481 WeakPolarHBondContact O-CB 3.35Å; F478-A481 PolarHBondContact O-N 3.03Å; Y479-A481 VanDerWaalsContact C-N 3.26Å; Y479-A481 PolarHBondContact O-N 3.44Å; A481-V483 VanDerWaalsContact C-N 3.34Å; A481-V483 PolarHBondContact O-N 3.44Å; A481-V484 PolarHBondContact O-N 2.87Å; A481-E485 WeakPolarHBondContact O-CG 3.46Å; A481-E485 PolarHBondContact O-N 3.19Å; A481-F634 HydrophobicContact CB-CE1 3.97Å; A481-F637 HydrophobicContact CB-CD1 4.34Å; A481-F637 HydrophobicContact CB-CE1 3.38Å; A481-F637 HydrophobicContact CB-CE2 4.29Å; A481-F637 HydrophobicContact CB-CZ 3.35Å; A481-W639 HydrophobicContact CB-CE3 4.32Å; A481-W639 HydrophobicContact CB-CH2 3.71Å; A481-W639 HydrophobicContact CB-CZ2 4.48Å; A481-W639 HydrophobicContact CB-CZ3 3.62Å; A481-L642 HydrophobicContact CB-CD2 3.58Å
482	C	98.8	Very high	97	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-46	173.7	-62.5	0	0	0	0	111.2	F435 F478 Y479 T480 E485 A486 A513	F435-C482 HydrophobicContact CD1-CB 3.75Å; F435-C482 HydrophobicContact CE1-CB 4.18Å; F478-C482 PolarHBondContact O-N 2.93Å; F478-C482 VanDerWaalsContact O-N 3.1Å; F478-C482 PolarHBondContact O-SG 2.91Å; Y479-C482 WeakPolarHBondContact O-CB 3.4Å; Y479-C482 PolarHBondContact O-N 3.32Å; T480-C482 PolarHBondContact O-N 2.6Å; C482-E485 PolarHBondContact O-N 3.47Å; C482-A486 PolarHBondContact O-N 2.91Å; C482-A513 HydrophobicContact CB-CB 4Å
483	V	98.8	Very high	96.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-40.8	177.2	178.8	0	0	0	0	111.5	Y479 T480 A481 E485 A486 F487 L500 L505 L515 L559 L562	Y479-V483 WeakPolarHBondContact O-CG2 3.38Å; Y479-V483 PolarHBondContact O-N 3.37Å; Y479-V483 VanDerWaalsContact O-N 3.14Å; T480-V483 PolarHBondContact O-N 3.49Å; A481-V483 VanDerWaalsContact C-N 3.34Å; A481-V483 PolarHBondContact O-N 3.44Å; V483-E485 VanDerWaalsContact C-N 3.31Å; V483-E485 PolarHBondContact O-N 2.88Å; V483-A486 WeakPolarHBondContact O-CB 3.44Å; V483-A486 PolarHBondContact O-N 3.29Å; V483-A486 VanDerWaalsContact O-N 3.17Å; V483-F487 HydrophobicContact CG1-CD1 4.28Å; V483-F487 HydrophobicContact CG1-CD2 4.07Å; V483-F487 HydrophobicContact CG1-CE1 4.03Å; V483-F487 HydrophobicContact CG1-CE2 3.78Å; V483-F487 HydrophobicContact CG1-CG 4.32Å; V483-F487 HydrophobicContact CG1-CZ 3.79Å; V483-F487 WeakPolarHBondContact O-CB 3.38Å; V483-F487 WeakPolarHBondContact O-CG 3.28Å; V483-F487 PolarHBondContact O-N 3.47Å; V483-L500 HydrophobicContact CG1-CD1 3.66Å; V483-L500 HydrophobicContact CG1-CD2 3.83Å; V483-L500 HydrophobicContact CG1-CG 4.41Å; V483-L500 HydrophobicContact CG2-CD1 4.12Å; V483-L505 HydrophobicContact CG2-CD1 3.97Å; V483-L505 HydrophobicContact CG2-CD2 3.68Å; V483-L515 HydrophobicContact CG2-CD2 4.42Å; V483-L559 HydrophobicContact CB-CD1 4.07Å; V483-L559 HydrophobicContact CG1-CD1 3.71Å; V483-L562 HydrophobicContact CG2-CD2 3.94Å
484	V	98.6	Very high	96.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-40.3	176.6	168.4	0	0	0	0	111.6	T480 A481 F487 A488 L559 V625 I628 Q629 W639	T480-V484 HydrophobicContact CG2-CG2 4.36Å; T480-V484 VanDerWaalsContact O-CG2 3.23Å; T480-V484 WeakPolarHBondContact O-CG2 3.48Å; T480-V484 PolarHBondContact O-N 3.44Å; A481-V484 PolarHBondContact O-N 2.87Å; V484-F487 PolarHBondContact O-N 3Å; V484-A488 WeakPolarHBondContact O-CB 3.44Å; V484-A488 PolarHBondContact O-N 2.88Å; V484-L559 HydrophobicContact CG2-CD1 4.45Å; V484-L559 HydrophobicContact CG2-CD2 3.68Å; V484-V625 HydrophobicContact CG1-CG2 3.43Å; V484-V625 VanDerWaalsContact CG1-CG2 3.43Å; V484-I628 HydrophobicContact CG1-CG2 4.49Å; V484-I628 HydrophobicContact CG2-CG2 3.94Å; V484-Q629 HydrophobicContact CG1-CG 4.05Å; V484-W639 HydrophobicContact CB-CH2 3.91Å; V484-W639 HydrophobicContact CB-CZ3 4.05Å; V484-W639 HydrophobicContact CG1-CH2 3.64Å; V484-W639 HydrophobicContact CG1-CZ3 3.78Å; V484-W639 HydrophobicContact CG2-CH2 4.39Å
485	E	97.9	Very high	95.8	Very high	17 Å²	17	15.6 Å²	15.6	8%	0.079	8%	0.083	C	C	.	.	H	α-helix	trans	-69.8	-37.3	175	-68.5	-60.9	150.7	0	0	112.5	F435 A481 C482 V483 A488 Y489 Q629 W639 L642 K643	F435-E485 HydrophobicContact CD2-CB 3.35Å; F435-E485 HydrophobicContact CD2-CG 4.24Å; F435-E485 HydrophobicContact CE2-CB 3.49Å; F435-E485 VanDerWaalsContact CE2-CB 3.49Å; F435-E485 HydrophobicContact CE2-CG 3.86Å; F435-E485 HydrophobicContact CG-CB 3.93Å; F435-E485 HydrophobicContact CZ-CB 4.16Å; F435-E485 HydrophobicContact CZ-CG 4.22Å; A481-E485 WeakPolarHBondContact O-CG 3.46Å; A481-E485 PolarHBondContact O-N 3.19Å; C482-E485 PolarHBondContact O-N 3.47Å; V483-E485 VanDerWaalsContact C-N 3.31Å; V483-E485 PolarHBondContact O-N 2.88Å; E485-A488 PolarHBondContact O-N 3.42Å; E485-Y489 PolarHBondContact O-N 3Å; E485-Y489 VanDerWaalsContact O-N 3.17Å; E485-Q629 PolarHBondContact OE1-NE2 2.96Å; E485-W639 HydrophobicContact CG-CE3 4.29Å; E485-W639 HydrophobicContact CG-CZ3 4.21Å; E485-L642 HydrophobicContact CG-CD2 4.01Å; E485-K643 WeakPolarHBondContact OE1-CE 3.17Å; E485-K643 WeakPolarHBondContact OE2-CE 3.46Å; E485-K643 IonicContact OE2-NZ 2.67Å
486	A	98.2	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63	-43.5	172.8	0	0	0	0	0	112	F435 I436 C482 V483 Y489 L490 L515	F435-A486 HydrophobicContact CB-CB 3.88Å; I436-A486 HydrophobicContact CG1-CB 4.02Å; C482-A486 PolarHBondContact O-N 2.91Å; V483-A486 WeakPolarHBondContact O-CB 3.44Å; V483-A486 PolarHBondContact O-N 3.29Å; V483-A486 VanDerWaalsContact O-N 3.17Å; A486-Y489 WeakPolarHBondContact O-CB 3.31Å; A486-Y489 PolarHBondContact O-N 3.27Å; A486-L490 WeakPolarHBondContact O-CG 3.42Å; A486-L490 PolarHBondContact O-N 2.84Å; A486-L515 HydrophobicContact CB-CD1 3.52Å; A486-L515 HydrophobicContact CB-CG 3.69Å
487	F	97.9	Very high	95.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.5	-41.1	175.7	-74.5	-3.7	0	0	0	112.5	V483 V484 Y489 L490 H491 Y497 L500 L515 D555 Y556 L559	V483-F487 HydrophobicContact CG1-CD1 4.28Å; V483-F487 HydrophobicContact CG1-CD2 4.07Å; V483-F487 HydrophobicContact CG1-CE1 4.03Å; V483-F487 HydrophobicContact CG1-CE2 3.78Å; V483-F487 HydrophobicContact CG1-CG 4.32Å; V483-F487 HydrophobicContact CG1-CZ 3.79Å; V483-F487 WeakPolarHBondContact O-CB 3.38Å; V483-F487 WeakPolarHBondContact O-CG 3.28Å; V483-F487 PolarHBondContact O-N 3.47Å; V484-F487 PolarHBondContact O-N 3Å; F487-Y489 PolarHBondContact O-N 3.32Å; F487-L490 PolarHBondContact O-N 3.44Å; F487-H491 AromaticContact CG-CE1 3.97Å; F487-H491 WeakPolarHBondContact O-CB 3.45Å; F487-H491 PolarHBondContact O-N 3.45Å; F487-Y497 HydrophobicContact CE1-CD1 4.19Å; F487-Y497 HydrophobicContact CE1-CG 4.39Å; F487-L500 HydrophobicContact CE2-CD2 3.99Å; F487-L500 HydrophobicContact CZ-CB 4.13Å; F487-L500 HydrophobicContact CZ-CD1 4.26Å; F487-L500 HydrophobicContact CZ-CD2 3.71Å; F487-L500 HydrophobicContact CZ-CG 4.25Å; F487-L515 HydrophobicContact CD1-CD1 4.23Å; F487-L515 HydrophobicContact CE1-CD1 4.09Å; F487-D555 HydrophobicContact CD2-CB 4.22Å; F487-D555 HydrophobicContact CE1-CB 4.19Å; F487-D555 HydrophobicContact CE2-CB 3.72Å; F487-D555 VanDerWaalsContact CE2-O 3.28Å; F487-D555 WeakPolarHBondContact CE2-O 3.47Å; F487-D555 HydrophobicContact CZ-CB 3.67Å; F487-Y556 HydrophobicContact CD2-CD1 4.38Å; F487-Y556 HydrophobicContact CD2-CE1 4.46Å; F487-L559 HydrophobicContact CE2-CB 4.21Å
488	A	92.8	Very high	95.5	Very high	24 Å²	24	13.2 Å²	13.2	20%	0.198	7%	0.072	C	C	.	.	H	α-helix	trans	-52.8	-43.7	173.3	0	0	0	0	0	111	V484 E485 S492 V625	V484-A488 WeakPolarHBondContact O-CB 3.44Å; V484-A488 PolarHBondContact O-N 2.88Å; E485-A488 PolarHBondContact O-N 3.42Å; A488-S492 VanDerWaalsContact O-CB 3.3Å; A488-S492 WeakPolarHBondContact O-CB 3.2Å; A488-S492 PolarHBondContact O-N 2.84Å; A488-S492 PolarHBondContact O-OG 2.8Å; A488-V625 HydrophobicContact CB-CB 4.41Å; A488-V625 HydrophobicContact CB-CG1 3.85Å; A488-V625 HydrophobicContact CB-CG2 4.15Å
489	Y	94.8	Very high	95.3	Very high	43 Å²	43	13.2 Å²	13.2	17%	0.169	7%	0.072	C	C	.	.	H	α-helix	trans	-66.1	-56.1	176.6	-178.6	-90.7	0	0	0	112.6	E430 A431 H432 I436 E485 A486 F487 H491 S492 K493	E430-Y489 PolarHBondContact O-OH 3.22Å; E430-Y489 VanDerWaalsContact O-OH 3.07Å; A431-Y489 HydrophobicContact CB-CE1 4.14Å; H432-Y489 VanDerWaalsContact N-CZ 3.31Å; H432-Y489 PolarHBondContact N-OH 2.82Å; H432-Y489 WeakPolarHBondContact O-CE2 3.31Å; I436-Y489 HydrophobicContact CD1-CD1 3.65Å; I436-Y489 HydrophobicContact CD1-CE1 4.3Å; I436-Y489 HydrophobicContact CD1-CG 4.41Å; E485-Y489 PolarHBondContact O-N 3Å; E485-Y489 VanDerWaalsContact O-N 3.17Å; A486-Y489 WeakPolarHBondContact O-CB 3.31Å; A486-Y489 PolarHBondContact O-N 3.27Å; F487-Y489 PolarHBondContact O-N 3.32Å; Y489-H491 PolarHBondContact O-N 2.78Å; Y489-S492 PolarHBondContact O-N 3.5Å; Y489-S492 PolarHBondContact O-OG 3.35Å; Y489-K493 HydrophobicContact CE1-CD 3.99Å; Y489-K493 PolarHBondContact O-N 3.45Å; Y489-K493 WeakPolarHBondContact OH-CE 2.84Å; Y489-K493 PolarHBondContact OH-NZ 3.41Å
490	L	94.9	Very high	95.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-46.2	-175.6	-69.7	173.8	0	0	0	112.2	I436 A486 F487 S492 K493 G494 I495 Y497 L515 F518	I436-L490 HydrophobicContact CD1-CD1 4.19Å; I436-L490 HydrophobicContact CD1-CD2 3.76Å; I436-L490 HydrophobicContact CD1-CG 3.73Å; A486-L490 WeakPolarHBondContact O-CG 3.42Å; A486-L490 PolarHBondContact O-N 2.84Å; F487-L490 PolarHBondContact O-N 3.44Å; L490-S492 VanDerWaalsContact C-N 3.3Å; L490-S492 PolarHBondContact O-N 3.45Å; L490-K493 CarbonylContact O-C 3.58Å; L490-K493 WeakPolarHBondContact O-CA 3.36Å; L490-K493 PolarHBondContact O-N 2.91Å; L490-G494 PolarHBondContact O-N 2.89Å; L490-I495 CarbonylContact C-O 3.41Å; L490-I495 HydrophobicContact CB-CB 4.28Å; L490-I495 HydrophobicContact CD2-CB 4.25Å; L490-I495 HydrophobicContact CD2-CD1 4.33Å; L490-I495 HydrophobicContact CD2-CG2 4.01Å; L490-I495 PolarHBondContact O-N 3.33Å; L490-Y497 HydrophobicContact CD1-CD2 4.26Å; L490-L515 HydrophobicContact CD1-CD1 3.99Å; L490-F518 HydrophobicContact CD1-CE1 3.93Å; L490-F518 HydrophobicContact CD1-CZ 4.44Å; L490-F518 HydrophobicContact CD2-CE1 3.9Å
491	H	93	Very high	95.2	Very high	13 Å²	13	13.7 Å²	13.7	6%	0.06	7%	0.074	C	C	.	.	H	α-helix	trans	-67.5	-32.6	-177.6	-61.3	176.3	0	0	0	111.5	F487 Y489 K493 G494 I495 I552 D555 Y556	F487-H491 AromaticContact CG-CE1 3.97Å; F487-H491 WeakPolarHBondContact O-CB 3.45Å; F487-H491 PolarHBondContact O-N 3.45Å; Y489-H491 PolarHBondContact O-N 2.78Å; H491-K493 PolarHBondContact O-N 3Å; H491-G494 PolarHBondContact O-N 2.92Å; H491-I495 PolarHBondContact CD2-O 3.18Å; H491-I552 HydrophobicContact CB-CB 4.41Å; H491-I552 HydrophobicContact CB-CD1 3.9Å; H491-I552 HydrophobicContact CB-CG2 4.28Å; H491-D555 IonicContact NE2-OD2 3.53Å; H491-D555 PolarHBondContact NE2-OD2 3.21Å; H491-D555 VanDerWaalsContact NE2-OD2 3.15Å; H491-Y556 AromaticContact CE1-CE1 3.7Å; H491-Y556 AromaticContact CE1-CZ 3.57Å; H491-Y556 AromaticContact ND1-CE1 3.74Å; H491-Y556 AromaticContact ND1-CE2 3.93Å; H491-Y556 AromaticContact ND1-CZ 3.26Å; H491-Y556 VanDerWaalsContact ND1-CZ 3.26Å; H491-Y556 PolarHBondContact ND1-OH 3.09Å
492	S	87.6	Confident	95.1	Very high	77 Å²	77	13.7 Å²	13.7	54%	0.538	7%	0.074	S	C	.	.	H	α-helix	trans	-63.6	-19.3	173	77.9	0	0	0	0	113.4	A488 Y489 L490 F526	A488-S492 VanDerWaalsContact O-CB 3.3Å; A488-S492 WeakPolarHBondContact O-CB 3.2Å; A488-S492 PolarHBondContact O-N 2.84Å; A488-S492 PolarHBondContact O-OG 2.8Å; Y489-S492 PolarHBondContact O-N 3.5Å; Y489-S492 PolarHBondContact O-OG 3.35Å; L490-S492 VanDerWaalsContact C-N 3.3Å; L490-S492 PolarHBondContact O-N 3.45Å; S492-F526 WeakPolarHBondContact O-CZ 3.34Å
493	K	87.9	Confident	94.9	Very high	72 Å²	72	14.2 Å²	14.2	31%	0.313	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	6	175.1	-65.7	-166.6	167.3	-156.2	0	113.4	E430 Y489 L490 H491 I495	E430-K493 PolarHBondContact O-NZ 2.83Å; Y489-K493 HydrophobicContact CE1-CD 3.99Å; Y489-K493 PolarHBondContact O-N 3.45Å; Y489-K493 WeakPolarHBondContact OH-CE 2.84Å; Y489-K493 PolarHBondContact OH-NZ 3.41Å; L490-K493 CarbonylContact O-C 3.58Å; L490-K493 WeakPolarHBondContact O-CA 3.36Å; L490-K493 PolarHBondContact O-N 2.91Å; H491-K493 PolarHBondContact O-N 3Å; K493-I495 VanDerWaalsContact C-N 3.27Å; K493-I495 HydrophobicContact CB-CD1 3.86Å; K493-I495 HydrophobicContact CB-CG1 4.12Å; K493-I495 HydrophobicContact CD-CD1 4.5Å; K493-I495 PolarHBondContact O-N 3.3Å
494	G	86.9	Confident	94.8	Very high	4 Å²	4	14.7 Å²	14.7	4%	0.041	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	30.1	-176.4	0	0	0	0	0	113.3	L490 H491 I524 G525	L490-G494 PolarHBondContact O-N 2.89Å; H491-G494 PolarHBondContact O-N 2.92Å; G494-I524 PolarHBondContact O-N 2.84Å; G494-G525 PolarHBondContact O-N 3.29Å
495	I	93.1	Very high	94.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.7	177.7	-58.8	166.4	0	0	0	108.4	I427 L490 H491 K493 A521 K522 K523	I427-I495 HydrophobicContact CD1-CG2 4.21Å; I427-I495 HydrophobicContact CG1-CG2 4.49Å; I427-I495 HydrophobicContact CG2-CD1 4.25Å; I427-I495 HydrophobicContact CG2-CG2 4.02Å; L490-I495 CarbonylContact C-O 3.41Å; L490-I495 HydrophobicContact CB-CB 4.28Å; L490-I495 HydrophobicContact CD2-CB 4.25Å; L490-I495 HydrophobicContact CD2-CD1 4.33Å; L490-I495 HydrophobicContact CD2-CG2 4.01Å; L490-I495 PolarHBondContact O-N 3.33Å; H491-I495 PolarHBondContact CD2-O 3.18Å; K493-I495 VanDerWaalsContact C-N 3.27Å; K493-I495 HydrophobicContact CB-CD1 3.86Å; K493-I495 HydrophobicContact CB-CG1 4.12Å; K493-I495 HydrophobicContact CD-CD1 4.5Å; K493-I495 PolarHBondContact O-N 3.3Å; I495-A521 HydrophobicContact CG2-CB 4.43Å; I495-K522 WeakPolarHBondContact CA-O 3.4Å; I495-K523 HydrophobicContact CG1-CB 4.23Å; I495-K523 HydrophobicContact CG1-CG 4.11Å
496	I	95.6	Very high	94.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.5	170.4	-169.2	-177.6	0	0	0	109.3	R498 A521 K522 I524 D551 I552 A554 D555	I496-R498 HydrophobicContact CB-CG 4.27Å; I496-R498 HydrophobicContact CD1-CG 3.48Å; I496-R498 VanDerWaalsContact CD1-CG 3.48Å; I496-R498 HydrophobicContact CG1-CG 3.53Å; I496-R498 HydrophobicContact CG2-CG 3.95Å; I496-A521 CarbonylContact O-C 3.58Å; I496-A521 WeakPolarHBondContact O-CA 3.13Å; I496-K522 HydrophobicContact CG2-CB 4.03Å; I496-K522 WeakPolarHBondContact CG2-O 3.36Å; I496-K522 PolarHBondContact N-O 2.96Å; I496-K522 PolarHBondContact O-N 3.04Å; I496-I524 HydrophobicContact CB-CD1 4.49Å; I496-I524 HydrophobicContact CG2-CD1 4.36Å; I496-I524 HydrophobicContact CG2-CG2 4.14Å; I496-D551 WeakPolarHBondContact CD1-O 3.37Å; I496-I552 HydrophobicContact CB-CG2 4.33Å; I496-A554 HydrophobicContact CD1-CB 4.28Å; I496-D555 VanDerWaalsContact CG1-OD2 3.26Å; I496-D555 WeakPolarHBondContact CG1-OD2 3.35Å
497	Y	96.9	Very high	94.8	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.082	C	C	.	.			trans	-93.6	-47	-174	-178.1	-110.1	0	0	0	113.9	F487 L490 D499 L500 N504 L515 V516 F518 F520 A521 D555	F487-Y497 HydrophobicContact CE1-CD1 4.19Å; F487-Y497 HydrophobicContact CE1-CG 4.39Å; L490-Y497 HydrophobicContact CD1-CD2 4.26Å; Y497-D499 VanDerWaalsContact C-N 3.31Å; Y497-D499 WeakPolarHBondContact CE1-O 3.28Å; Y497-D499 PolarHBondContact O-N 3.35Å; Y497-L500 HydrophobicContact CD1-CB 4.19Å; Y497-L500 HydrophobicContact CE1-CB 4.21Å; Y497-N504 WeakPolarHBondContact OH-CB 3.3Å; Y497-L515 HydrophobicContact CD2-CD1 4.25Å; Y497-L515 HydrophobicContact CE1-CD2 4.48Å; Y497-L515 HydrophobicContact CE2-CB 4.38Å; Y497-L515 HydrophobicContact CE2-CD1 4.25Å; Y497-L515 HydrophobicContact CG-CD1 4.38Å; Y497-V516 PolarHBondContact OH-O 3.29Å; Y497-F518 HydrophobicContact CD2-CD1 4.09Å; Y497-F518 AromaticContact CD2-CE1 3.89Å; Y497-F518 HydrophobicContact CD2-CE1 3.89Å; Y497-F518 HydrophobicContact CD2-CZ 4.29Å; Y497-F518 HydrophobicContact CE2-CD1 4.22Å; Y497-F518 HydrophobicContact CE2-CD2 4.42Å; Y497-F518 HydrophobicContact CE2-CE1 4.07Å; Y497-F518 HydrophobicContact CE2-CE2 4.28Å; Y497-F518 HydrophobicContact CE2-CG 4.38Å; Y497-F518 HydrophobicContact CE2-CZ 4.08Å; Y497-F520 CarbonylContact O-C 3.48Å; Y497-A521 PolarHBondContact O-N 3.18Å; Y497-D555 PolarHBondContact N-OD2 3.15Å
498	R	95.9	Very high	94.7	Very high	17 Å²	17	15.3 Å²	15.3	6%	0.064	8%	0.083	C	C	.	.			trans	67.3	-0.1	169.6	-54.3	-172.2	-70.9	171.9	8.1	118.9	I496 F520 C534 G535 H550 D555	I496-R498 HydrophobicContact CB-CG 4.27Å; I496-R498 HydrophobicContact CD1-CG 3.48Å; I496-R498 VanDerWaalsContact CD1-CG 3.48Å; I496-R498 HydrophobicContact CG1-CG 3.53Å; I496-R498 HydrophobicContact CG2-CG 3.95Å; R498-F520 HydrophobicContact CB-CB 4.24Å; R498-F520 PolarHBondContact NE-O 2.77Å; R498-F520 PolarHBondContact NH2-O 3.45Å; R498-C534 VanDerWaalsContact CZ-SG 3.51Å; R498-G535 WeakPolarHBondContact O-CA 3.33Å; R498-H550 VanDerWaalsContact CD-NE2 3.34Å; R498-H550 WeakPolarHBondContact CD-NE2 3.22Å; R498-D555 PolarHBondContact N-OD1 3.3Å
499	D	95.4	Very high	94.8	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.099	C	C	.	.			trans	-140.7	48.7	175.1	-161	39.1	0	0	0	112.5	Y497 K501 N504 F520 T536	Y497-D499 VanDerWaalsContact C-N 3.31Å; Y497-D499 WeakPolarHBondContact CE1-O 3.28Å; Y497-D499 PolarHBondContact O-N 3.35Å; D499-K501 PolarHBondContact O-N 3.45Å; D499-K501 IonicContact OD1-NZ 2.93Å; D499-K501 PolarHBondContact OD1-NZ 2.82Å; D499-K501 WeakPolarHBondContact OD2-CE 3.5Å; D499-K501 IonicContact OD2-NZ 3.8Å; D499-K501 PolarHBondContact OD2-NZ 3.07Å; D499-N504 PolarHBondContact O-ND2 3.41Å; D499-N504 PolarHBondContact OD2-ND2 3.15Å; D499-F520 HydrophobicContact CB-CB 4.39Å; D499-F520 HydrophobicContact CB-CD2 3.6Å; D499-F520 HydrophobicContact CB-CE2 4.42Å; D499-F520 HydrophobicContact CB-CG 4.46Å; D499-T536 PolarHBondContact OD1-N 3.42Å; D499-T536 PolarHBondContact OD1-OG1 2.83Å
500	L	98.3	Very high	94.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.			trans	-69.6	125.5	171.6	-177.5	70.7	0	0	0	110	V483 F487 Y497 L505 L515 Y539 L559 L562	V483-L500 HydrophobicContact CG1-CD1 3.66Å; V483-L500 HydrophobicContact CG1-CD2 3.83Å; V483-L500 HydrophobicContact CG1-CG 4.41Å; V483-L500 HydrophobicContact CG2-CD1 4.12Å; F487-L500 HydrophobicContact CE2-CD2 3.99Å; F487-L500 HydrophobicContact CZ-CB 4.13Å; F487-L500 HydrophobicContact CZ-CD1 4.26Å; F487-L500 HydrophobicContact CZ-CD2 3.71Å; F487-L500 HydrophobicContact CZ-CG 4.25Å; Y497-L500 HydrophobicContact CD1-CB 4.19Å; Y497-L500 HydrophobicContact CE1-CB 4.21Å; L500-L505 HydrophobicContact CD1-CD2 4.17Å; L500-L515 HydrophobicContact CD1-CD2 3.98Å; L500-Y539 WeakPolarHBondContact O-CD1 3.34Å; L500-Y539 WeakPolarHBondContact O-CE1 3.42Å; L500-Y539 VanDerWaalsContact O-CG 3.3Å; L500-L559 HydrophobicContact CD2-CB 4.29Å; L500-L559 HydrophobicContact CD2-CD1 4.22Å; L500-L562 HydrophobicContact CD1-CD2 4.12Å; L500-L562 HydrophobicContact CD2-CB 4.04Å; L500-L562 HydrophobicContact CD2-CD2 3.85Å; L500-L562 HydrophobicContact CG-CB 4.49Å; L500-L562 HydrophobicContact CG-CD2 4.12Å
501	K	96.8	Very high	95	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.043	11%	0.11	C	C	.	.	S	Bend	trans	-165.4	160.5	173.3	57.7	-176.3	165.8	-160.5	0	109.2	D499 E503 N504 T536 Y539	D499-K501 PolarHBondContact O-N 3.45Å; D499-K501 IonicContact OD1-NZ 2.93Å; D499-K501 PolarHBondContact OD1-NZ 2.82Å; D499-K501 WeakPolarHBondContact OD2-CE 3.5Å; D499-K501 IonicContact OD2-NZ 3.8Å; D499-K501 PolarHBondContact OD2-NZ 3.07Å; K501-E503 WeakPolarHBondContact CB-OE2 3.47Å; K501-E503 HydrophobicContact CD-CB 3.97Å; K501-E503 HydrophobicContact CD-CG 4.37Å; K501-E503 HydrophobicContact CG-CB 3.98Å; K501-E503 PolarHBondContact O-N 3.38Å; K501-E503 VanDerWaalsContact O-N 3.13Å; K501-N504 VanDerWaalsContact CE-ND2 3.28Å; K501-N504 WeakPolarHBondContact CE-ND2 3.43Å; K501-N504 WeakPolarHBondContact CE-OD1 3.39Å; K501-N504 HydrophobicContact CG-CB 4.18Å; K501-N504 PolarHBondContact O-N 2.98Å; K501-T536 HydrophobicContact CD-CG2 4.47Å; K501-T536 WeakPolarHBondContact CD-OG1 3.47Å; K501-T536 PolarHBondContact NZ-OG1 3.1Å; K501-Y539 HydrophobicContact CB-CD2 4.35Å; K501-Y539 HydrophobicContact CB-CE1 4.43Å; K501-Y539 HydrophobicContact CB-CE2 4.04Å
502	P	97.3	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-53.4	-31.2	176.8	-27.8	34.3	0	0	0	114.1	W462 L465 N504 L505 Y539 L562 L566	W462-P502 HydrophobicContact CB-CB 3.86Å; W462-P502 PolarHBondContact N-O 3.48Å; L465-P502 HydrophobicContact CD2-CB 4.44Å; L465-P502 HydrophobicContact CD2-CG 4.09Å; P502-N504 PolarHBondContact O-N 3.42Å; P502-L505 PolarHBondContact O-N 2.91Å; P502-Y539 VanDerWaalsContact CD-OH 3.23Å; P502-Y539 WeakPolarHBondContact CD-OH 3.46Å; P502-L562 HydrophobicContact CG-CD1 3.78Å; P502-L566 HydrophobicContact CG-CD2 4.47Å
503	E	94.3	Very high	95.8	Very high	14 Å²	14	19 Å²	19	7%	0.065	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-64.1	-29.9	178.3	-62	89.1	141.6	0	0	112.2	R74 W462 K501	R74-E503 IonicContact CZ-OE1 3.56Å; R74-E503 IonicContact CZ-OE2 2.76Å; R74-E503 PolarHBondContact N-OE1 3.27Å; R74-E503 IonicContact NE-OE1 3.38Å; R74-E503 PolarHBondContact NE-OE1 2.99Å; R74-E503 IonicContact NE-OE2 2.74Å; R74-E503 IonicContact NH2-OE1 2.94Å; R74-E503 PolarHBondContact NH2-OE1 2.7Å; R74-E503 IonicContact NH2-OE2 2.69Å; R74-E503 PolarHBondContact NH2-OE2 3.44Å; W462-E503 HydrophobicContact CB-CB 4.48Å; W462-E503 HydrophobicContact CB-CG 4.01Å; W462-E503 VanDerWaalsContact CD1-CD 3.43Å; W462-E503 HydrophobicContact CD2-CG 4.31Å; W462-E503 HydrophobicContact CG-CG 3.73Å; K501-E503 WeakPolarHBondContact CB-OE2 3.47Å; K501-E503 HydrophobicContact CD-CB 3.97Å; K501-E503 HydrophobicContact CD-CG 4.37Å; K501-E503 HydrophobicContact CG-CB 3.98Å; K501-E503 PolarHBondContact O-N 3.38Å; K501-E503 VanDerWaalsContact O-N 3.13Å
504	N	96.4	Very high	96.3	Very high	11 Å²	11	16 Å²	16	6%	0.059	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-98.5	18.7	-179.7	-66.7	-4.6	0	0	0	112.6	Y497 D499 K501 P502 V516	Y497-N504 WeakPolarHBondContact OH-CB 3.3Å; D499-N504 PolarHBondContact O-ND2 3.41Å; D499-N504 PolarHBondContact OD2-ND2 3.15Å; K501-N504 VanDerWaalsContact CE-ND2 3.28Å; K501-N504 WeakPolarHBondContact CE-ND2 3.43Å; K501-N504 WeakPolarHBondContact CE-OD1 3.39Å; K501-N504 HydrophobicContact CG-CB 4.18Å; K501-N504 PolarHBondContact O-N 2.98Å; P502-N504 PolarHBondContact O-N 3.42Å; N504-V516 HydrophobicContact CB-CG2 4.44Å; N504-V516 WeakPolarHBondContact O-CG2 3.48Å; N504-V516 PolarHBondContact O-N 2.74Å
505	L	98.2	Very high	96.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.1	173.3	-62.6	178.5	0	0	0	109.1	L461 V483 L500 P502 L515 L562	L461-L505 HydrophobicContact CB-CB 3.84Å; L461-L505 WeakPolarHBondContact CB-O 3.07Å; L461-L505 HydrophobicContact CD2-CB 4.03Å; L461-L505 HydrophobicContact CD2-CD1 3.63Å; L461-L505 HydrophobicContact CD2-CG 4.47Å; L461-L505 PolarHBondContact N-O 3.36Å; V483-L505 HydrophobicContact CG2-CD1 3.97Å; V483-L505 HydrophobicContact CG2-CD2 3.68Å; L500-L505 HydrophobicContact CD1-CD2 4.17Å; P502-L505 PolarHBondContact O-N 2.91Å; L505-L515 HydrophobicContact CD2-CD2 3.36Å; L505-L562 HydrophobicContact CD1-CD1 4.02Å; L505-L562 HydrophobicContact CD1-CD2 3.8Å
506	I	97.7	Very high	96.9	Very high	25 Å²	25	17.3 Å²	17.3	13%	0.128	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.8	178.2	-159.7	164.1	0	0	0	110.2	V437 C456 G459 A513 K514 V516 F664	V437-I506 HydrophobicContact CG2-CG2 3.88Å; C456-I506 HydrophobicContact CB-CB 4.22Å; C456-I506 HydrophobicContact CB-CD1 3.91Å; C456-I506 HydrophobicContact CB-CG1 3.76Å; C456-I506 HydrophobicContact CB-CG2 3.49Å; C456-I506 VanDerWaalsContact CB-CG2 3.49Å; C456-I506 WeakPolarHBondContact O-CD1 3.48Å; G459-I506 WeakPolarHBondContact O-CG1 3.43Å; I506-A513 CarbonylContact O-C 3.59Å; I506-A513 WeakPolarHBondContact O-CA 3.14Å; I506-K514 HydrophobicContact CG2-CB 4.26Å; I506-K514 PolarHBondContact N-O 2.88Å; I506-K514 PolarHBondContact O-N 2.69Å; I506-V516 HydrophobicContact CB-CG1 4.15Å; I506-V516 HydrophobicContact CB-CG2 4.5Å; I506-V516 HydrophobicContact CG2-CG1 3.43Å; I506-V516 VanDerWaalsContact CG2-CG1 3.43Å; I506-F664 HydrophobicContact CD1-CE1 4.05Å; I506-F664 HydrophobicContact CD1-CZ 4.17Å
507	L	98.3	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.2	176.7	-58.4	-169	0	0	0	111.2	C456 G458 G459 L461 I464 Y479 Y512 A513	C456-L507 CarbonylContact C-O 3.5Å; C456-L507 VanDerWaalsContact C-O 3.26Å; C456-L507 WeakPolarHBondContact CB-O 3.21Å; G458-L507 WeakPolarHBondContact CA-O 3.03Å; G458-L507 PolarHBondContact N-O 3.16Å; G459-L507 PolarHBondContact O-N 3.24Å; L461-L507 HydrophobicContact CD1-CD2 4.28Å; I464-L507 HydrophobicContact CD1-CD1 3.46Å; I464-L507 VanDerWaalsContact CD1-CD1 3.46Å; I464-L507 HydrophobicContact CD1-CG 4.29Å; Y479-L507 HydrophobicContact CD1-CD2 4.2Å; Y479-L507 HydrophobicContact CE1-CD1 4.44Å; Y479-L507 HydrophobicContact CE1-CD2 3.54Å; L507-Y512 WeakPolarHBondContact CA-O 3.3Å; L507-A513 HydrophobicContact CD2-CB 3.75Å
508	D	96.4	Very high	96.4	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	9%	0.094	C	C	.	.			trans	-72.9	173.4	164.6	80.5	-0.9	0	0	0	111.1	R510 G511 Y512 K514 P653	D508-R510 PolarHBondContact O-N 3.08Å; D508-R510 VanDerWaalsContact O-N 3.08Å; D508-R510 WeakPolarHBondContact OD1-CA 3.45Å; D508-R510 VanDerWaalsContact OD1-CB 3.32Å; D508-R510 WeakPolarHBondContact OD1-CB 3.5Å; D508-R510 PolarHBondContact OD1-N 3.22Å; D508-R510 IonicContact OD2-CZ 3.72Å; D508-R510 IonicContact OD2-NE 2.78Å; D508-R510 PolarHBondContact OD2-NE 2.93Å; D508-R510 IonicContact OD2-NH2 3.15Å; D508-R510 PolarHBondContact OD2-NH2 3.05Å; D508-G511 PolarHBondContact O-N 3.46Å; D508-G511 PolarHBondContact OD1-N 3Å; D508-Y512 PolarHBondContact N-O 3.36Å; D508-Y512 PolarHBondContact OD1-N 2.79Å; D508-K514 HydrophobicContact CB-CD 4.48Å; D508-P653 VanDerWaalsContact O-CG 3.32Å; D508-P653 WeakPolarHBondContact O-CG 3.41Å
509	H	94.9	Very high	96	Very high	115 Å²	115	20.5 Å²	20.5	53%	0.532	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.8	178.7	68.3	-84	0	0	0	114.1	V655	H509-V655 HydrophobicContact CB-CB 4.28Å; H509-V655 HydrophobicContact CB-CG1 4.44Å; H509-V655 HydrophobicContact CB-CG2 4.16Å
510	R	96.1	Very high	95.8	Very high	110 Å²	110	22 Å²	22	42%	0.415	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-18.6	176.9	-57.8	176.6	-66.6	-174.2	-1.3	111.6	D508 Y512 P649	D508-R510 PolarHBondContact O-N 3.08Å; D508-R510 VanDerWaalsContact O-N 3.08Å; D508-R510 WeakPolarHBondContact OD1-CA 3.45Å; D508-R510 VanDerWaalsContact OD1-CB 3.32Å; D508-R510 WeakPolarHBondContact OD1-CB 3.5Å; D508-R510 PolarHBondContact OD1-N 3.22Å; D508-R510 IonicContact OD2-CZ 3.72Å; D508-R510 IonicContact OD2-NE 2.78Å; D508-R510 PolarHBondContact OD2-NE 2.93Å; D508-R510 IonicContact OD2-NH2 3.15Å; D508-R510 PolarHBondContact OD2-NH2 3.05Å; R510-Y512 HydrophobicContact CB-CD2 3.99Å; R510-P649 VanDerWaalsContact O-CG 3.28Å; R510-P649 WeakPolarHBondContact O-CG 3.42Å
511	G	97.6	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	99.9	10.7	-175.6	0	0	0	0	0	114.4	D508 I651	D508-G511 PolarHBondContact O-N 3.46Å; D508-G511 PolarHBondContact OD1-N 3Å; G511-I651 VanDerWaalsContact CA-O 3.3Å; G511-I651 WeakPolarHBondContact CA-O 3.08Å
512	Y	98.6	Very high	95.3	Very high	10 Å²	10	24.9 Å²	24.9	4%	0.039	12%	0.121	C	C	.	.			trans	-80.7	135	174.2	-80.5	-102.4	0	0	0	110.5	F435 F478 L507 D508 R510 L642 G645 L647 P649	F435-Y512 HydrophobicContact CE1-CD1 4.05Å; F478-Y512 HydrophobicContact CE2-CE1 4.34Å; F478-Y512 AromaticContact CZ-CD1 3.86Å; F478-Y512 HydrophobicContact CZ-CD1 3.86Å; F478-Y512 HydrophobicContact CZ-CD2 4.41Å; F478-Y512 AromaticContact CZ-CE1 3.85Å; F478-Y512 HydrophobicContact CZ-CE1 3.85Å; F478-Y512 HydrophobicContact CZ-CE2 4.39Å; F478-Y512 HydrophobicContact CZ-CG 4.16Å; L507-Y512 WeakPolarHBondContact CA-O 3.3Å; D508-Y512 PolarHBondContact N-O 3.36Å; D508-Y512 PolarHBondContact OD1-N 2.79Å; R510-Y512 HydrophobicContact CB-CD2 3.99Å; Y512-L642 HydrophobicContact CD1-CD1 4.26Å; Y512-L642 HydrophobicContact CE1-CD1 3.72Å; Y512-L642 HydrophobicContact CE1-CG 4.41Å; Y512-G645 WeakPolarHBondContact OH-CA 3.34Å; Y512-G645 PolarHBondContact OH-O 2.82Å; Y512-L647 PolarHBondContact OH-N 3.34Å; Y512-L647 PolarHBondContact OH-O 3Å; Y512-P649 HydrophobicContact CD2-CG 3.56Å; Y512-P649 HydrophobicContact CE2-CG 3.44Å; Y512-P649 VanDerWaalsContact CE2-CG 3.44Å; Y512-P649 HydrophobicContact CG-CG 4.43Å
513	A	98.5	Very high	95	Very high	1 Å²	1	30 Å²	30	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.6	177.9	0	0	0	0	0	111.8	Y479 C482 I506 L507	Y479-A513 HydrophobicContact CD1-CB 3.69Å; Y479-A513 HydrophobicContact CE1-CB 4.27Å; C482-A513 HydrophobicContact CB-CB 4Å; I506-A513 CarbonylContact O-C 3.59Å; I506-A513 WeakPolarHBondContact O-CA 3.14Å; L507-A513 HydrophobicContact CD2-CB 3.75Å
514	K	98.6	Very high	94.7	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.8	175.8	-71.8	163.8	173.2	-87.7	0	110.5	D434 F435 V437 E454 C456 I506 D508	D434-K514 WeakPolarHBondContact O-CE 3.09Å; D434-K514 WeakPolarHBondContact O-CG 3.36Å; D434-K514 PolarHBondContact O-NZ 3.42Å; F435-K514 CarbonylContact O-C 3.55Å; F435-K514 WeakPolarHBondContact O-CA 3.47Å; V437-K514 HydrophobicContact CG2-CB 3.87Å; V437-K514 HydrophobicContact CG2-CD 4.29Å; E454-K514 VanDerWaalsContact CD-NZ 3.25Å; E454-K514 WeakPolarHBondContact OE1-CE 3.3Å; E454-K514 IonicContact OE1-NZ 3.02Å; E454-K514 PolarHBondContact OE1-NZ 3.29Å; E454-K514 IonicContact OE2-NZ 3.44Å; E454-K514 PolarHBondContact OE2-NZ 3.09Å; C456-K514 VanDerWaalsContact SG-CD 3.51Å; I506-K514 HydrophobicContact CG2-CB 4.26Å; I506-K514 PolarHBondContact N-O 2.88Å; I506-K514 PolarHBondContact O-N 2.69Å; D508-K514 HydrophobicContact CB-CD 4.48Å
515	L	98.2	Very high	93.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	136.7	169.7	-61.7	-172.2	0	0	0	110.3	F435 I436 V437 V483 A486 F487 L490 Y497 L500 L505 F518	F435-L515 PolarHBondContact O-N 2.73Å; I436-L515 HydrophobicContact CG1-CB 4.46Å; V437-L515 PolarHBondContact N-O 2.73Å; V483-L515 HydrophobicContact CG2-CD2 4.42Å; A486-L515 HydrophobicContact CB-CD1 3.52Å; A486-L515 HydrophobicContact CB-CG 3.69Å; F487-L515 HydrophobicContact CD1-CD1 4.23Å; F487-L515 HydrophobicContact CE1-CD1 4.09Å; L490-L515 HydrophobicContact CD1-CD1 3.99Å; Y497-L515 HydrophobicContact CD2-CD1 4.25Å; Y497-L515 HydrophobicContact CE1-CD2 4.48Å; Y497-L515 HydrophobicContact CE2-CB 4.38Å; Y497-L515 HydrophobicContact CE2-CD1 4.25Å; Y497-L515 HydrophobicContact CG-CD1 4.38Å; L500-L515 HydrophobicContact CD1-CD2 3.98Å; L505-L515 HydrophobicContact CD2-CD2 3.36Å; L515-F518 HydrophobicContact CB-CE2 4.42Å; L515-F518 HydrophobicContact CB-CZ 4.24Å
516	V	95.1	Very high	92.6	Very high	31 Å²	31	37.8 Å²	37.8	19%	0.188	19%	0.185	C	C	.	.			trans	-130.3	162.9	172.7	-71.7	0	0	0	0	110.4	V437 Y497 N504 I506	V437-V516 HydrophobicContact CB-CG1 3.83Å; V437-V516 HydrophobicContact CG1-CG1 4.39Å; V437-V516 HydrophobicContact CG2-CG1 3.27Å; Y497-V516 PolarHBondContact OH-O 3.29Å; N504-V516 HydrophobicContact CB-CG2 4.44Å; N504-V516 WeakPolarHBondContact O-CG2 3.48Å; N504-V516 PolarHBondContact O-N 2.74Å; I506-V516 HydrophobicContact CB-CG1 4.15Å; I506-V516 HydrophobicContact CB-CG2 4.5Å; I506-V516 HydrophobicContact CG2-CG1 3.43Å; I506-V516 VanDerWaalsContact CG2-CG1 3.43Å
517	D	89.5	Confident	91.2	Very high	65 Å²	65	37.9 Å²	37.9	35%	0.348	19%	0.193	S	C	.	.			trans	65.9	92.9	177.8	-161.7	-4	0	0	0	113.7	K405 G519	K405-D517 IonicContact NZ-OD1 3.39Å; D517-G519 PolarHBondContact OD1-N 2.93Å
518	F	93.2	Very high	90.3	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.221	C	C	.	.			trans	-100	19	-179.1	-76.2	-103.5	0	0	0	111.7	E424 I427 M428 I436 L490 Y497 L515 F520 A521	E424-F518 HydrophobicContact CG-CB 3.87Å; I427-F518 HydrophobicContact CG2-CD1 3.56Å; I427-F518 HydrophobicContact CG2-CE1 4.14Å; I427-F518 HydrophobicContact CG2-CG 4.37Å; M428-F518 HydrophobicContact CE-CD2 4.22Å; M428-F518 HydrophobicContact CG-CB 3.78Å; M428-F518 HydrophobicContact CG-CD2 3.66Å; M428-F518 HydrophobicContact CG-CE2 4.44Å; M428-F518 HydrophobicContact CG-CG 3.73Å; M428-F518 HydrophobicContact SD-CB 4.15Å; M428-F518 HydrophobicContact SD-CD2 3.97Å; M428-F518 HydrophobicContact SD-CG 4.37Å; I436-F518 HydrophobicContact CB-CZ 4.45Å; I436-F518 HydrophobicContact CD1-CZ 4.44Å; I436-F518 HydrophobicContact CG1-CZ 4.35Å; I436-F518 HydrophobicContact CG2-CE1 4.42Å; I436-F518 HydrophobicContact CG2-CE2 3.69Å; I436-F518 HydrophobicContact CG2-CZ 3.39Å; L490-F518 HydrophobicContact CD1-CE1 3.93Å; L490-F518 HydrophobicContact CD1-CZ 4.44Å; L490-F518 HydrophobicContact CD2-CE1 3.9Å; Y497-F518 HydrophobicContact CD2-CD1 4.09Å; Y497-F518 AromaticContact CD2-CE1 3.89Å; Y497-F518 HydrophobicContact CD2-CE1 3.89Å; Y497-F518 HydrophobicContact CD2-CZ 4.29Å; Y497-F518 HydrophobicContact CE2-CD1 4.22Å; Y497-F518 HydrophobicContact CE2-CD2 4.42Å; Y497-F518 HydrophobicContact CE2-CE1 4.07Å; Y497-F518 HydrophobicContact CE2-CE2 4.28Å; Y497-F518 HydrophobicContact CE2-CG 4.38Å; Y497-F518 HydrophobicContact CE2-CZ 4.08Å; L515-F518 HydrophobicContact CB-CE2 4.42Å; L515-F518 HydrophobicContact CB-CZ 4.24Å; F518-F520 PolarHBondContact O-N 3.29Å; F518-F520 VanDerWaalsContact O-N 3.14Å; F518-A521 HydrophobicContact CB-CB 3.93Å; F518-A521 HydrophobicContact CD1-CB 3.59Å; F518-A521 HydrophobicContact CG-CB 4.21Å; F518-A521 WeakPolarHBondContact O-CB 3.39Å; F518-A521 PolarHBondContact O-N 3.13Å
519	G	87.6	Confident	89.8	Confident	19 Å²	19	45.8 Å²	45.8	20%	0.196	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.8	-177.5	0	0	0	0	0	114.5	D517	D517-G519 PolarHBondContact OD1-N 2.93Å
520	F	89.5	Confident	89.4	Confident	37 Å²	37	40.5 Å²	40.5	16%	0.162	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	1	172.4	-57.1	-56.2	0	0	0	113.8	A76 S78 Y497 R498 D499 F518 C534	A76-F520 HydrophobicContact CB-CD2 4.26Å; A76-F520 HydrophobicContact CB-CE2 3.31Å; A76-F520 HydrophobicContact CB-CZ 3.83Å; S78-F520 VanDerWaalsContact CB-CE1 3.42Å; Y497-F520 CarbonylContact O-C 3.48Å; R498-F520 HydrophobicContact CB-CB 4.24Å; R498-F520 PolarHBondContact NE-O 2.77Å; R498-F520 PolarHBondContact NH2-O 3.45Å; D499-F520 HydrophobicContact CB-CB 4.39Å; D499-F520 HydrophobicContact CB-CD2 3.6Å; D499-F520 HydrophobicContact CB-CE2 4.42Å; D499-F520 HydrophobicContact CB-CG 4.46Å; F518-F520 PolarHBondContact O-N 3.29Å; F518-F520 VanDerWaalsContact O-N 3.14Å; F520-C534 HydrophobicContact CD1-CB 3.91Å; F520-C534 HydrophobicContact CE1-CB 4.4Å; F520-C534 HydrophobicContact CG-CB 4.33Å
521	A	93.7	Very high	88.9	Confident	5 Å²	5	36.4 Å²	36.4	4%	0.041	19%	0.187	C	C	.	.			trans	-68.3	147.6	176.9	0	0	0	0	0	110.6	I427 I495 I496 Y497 F518	I427-A521 HydrophobicContact CD1-CB 3.77Å; I427-A521 WeakPolarHBondContact CD1-O 3.36Å; I427-A521 HydrophobicContact CG2-CB 4.27Å; I495-A521 HydrophobicContact CG2-CB 4.43Å; I496-A521 CarbonylContact O-C 3.58Å; I496-A521 WeakPolarHBondContact O-CA 3.13Å; Y497-A521 PolarHBondContact O-N 3.18Å; F518-A521 HydrophobicContact CB-CB 3.93Å; F518-A521 HydrophobicContact CD1-CB 3.59Å; F518-A521 HydrophobicContact CG-CB 4.21Å; F518-A521 WeakPolarHBondContact O-CB 3.39Å; F518-A521 PolarHBondContact O-N 3.13Å
522	K	92.4	Very high	88.1	Confident	65 Å²	65	36.4 Å²	36.4	28%	0.283	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.6	179.7	-168.2	169.5	-173.9	172.4	0	111.2	I495 I496 I524 T530	I495-K522 WeakPolarHBondContact CA-O 3.4Å; I496-K522 HydrophobicContact CG2-CB 4.03Å; I496-K522 WeakPolarHBondContact CG2-O 3.36Å; I496-K522 PolarHBondContact N-O 2.96Å; I496-K522 PolarHBondContact O-N 3.04Å; K522-I524 HydrophobicContact CB-CG2 4.28Å; K522-I524 HydrophobicContact CD-CG2 4.19Å; K522-I524 HydrophobicContact CG-CG2 3.95Å; K522-I524 PolarHBondContact O-N 3.49Å; K522-T530 HydrophobicContact CD-CG2 4.39Å; K522-T530 PolarHBondContact NZ-OG1 2.97Å
523	K	91.2	Very high	87.4	Confident	108 Å²	108	36.4 Å²	36.4	47%	0.47	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	103.7	170	-166	170.2	-172.7	170.4	0	108.2	E430 I495	E430-K523 IonicContact OE1-NZ 2.73Å; E430-K523 PolarHBondContact OE1-NZ 2.85Å; E430-K523 IonicContact OE2-NZ 2.7Å; E430-K523 PolarHBondContact OE2-NZ 2.83Å; I495-K523 HydrophobicContact CG1-CB 4.23Å; I495-K523 HydrophobicContact CG1-CG 4.11Å
524	I	87.1	Confident	86.7	Confident	22 Å²	22	36.4 Å²	36.4	11%	0.113	19%	0.187	C	C	.	.			trans	-96.5	-25.6	-177.6	61.6	179.9	0	0	0	112	G494 I496 K522 K528 T530 D551	G494-I524 PolarHBondContact O-N 2.84Å; I496-I524 HydrophobicContact CB-CD1 4.49Å; I496-I524 HydrophobicContact CG2-CD1 4.36Å; I496-I524 HydrophobicContact CG2-CG2 4.14Å; K522-I524 HydrophobicContact CB-CG2 4.28Å; K522-I524 HydrophobicContact CD-CG2 4.19Å; K522-I524 HydrophobicContact CG-CG2 3.95Å; K522-I524 PolarHBondContact O-N 3.49Å; I524-K528 WeakPolarHBondContact CD1-O 3.31Å; I524-K528 VanDerWaalsContact O-CB 3.29Å; I524-K528 WeakPolarHBondContact O-CB 3.25Å; I524-K528 VanDerWaalsContact O-CD 3.25Å; I524-K528 WeakPolarHBondContact O-CD 3.29Å; I524-T530 HydrophobicContact CG2-CG2 3.85Å; I524-D551 HydrophobicContact CD1-CB 3.87Å
525	G	75.3	Confident	86.1	Confident	29 Å²	29	36.1 Å²	36.1	30%	0.299	19%	0.187	S	C	.	.			trans	83.1	167.7	-173.2	0	0	0	0	0	112.8	G494	G494-G525 PolarHBondContact O-N 3.29Å
526	F	74.9	Confident	85.7	Confident	137 Å²	137	36 Å²	36	60%	0.601	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	139.3	-177.2	-57	-76.1	0	0	0	111.6	S492 K528	S492-F526 WeakPolarHBondContact O-CZ 3.34Å; F526-K528 PolarHBondContact O-N 2.84Å
527	G	69.6	Low	85.5	Confident	28 Å²	28	35.1 Å²	35.1	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	10.9	179.1	0	0	0	0	0	115.1	S244	S244-G527 PolarHBondContact OG-O 3.05Å
528	K	79.4	Confident	85.7	Confident	136 Å²	136	33.6 Å²	33.6	59%	0.591	17%	0.172	S	C	*	.			trans	-110.7	153.1	179.3	-68.2	-176.3	177	-175.1	0	110.9	I524 F526	I524-K528 WeakPolarHBondContact CD1-O 3.31Å; I524-K528 VanDerWaalsContact O-CB 3.29Å; I524-K528 WeakPolarHBondContact O-CB 3.25Å; I524-K528 VanDerWaalsContact O-CD 3.25Å; I524-K528 WeakPolarHBondContact O-CD 3.29Å; F526-K528 PolarHBondContact O-N 2.84Å
529	K	85.8	Confident	85.9	Confident	33 Å²	33	33.7 Å²	33.7	14%	0.143	17%	0.172	C	C	.	.			trans	-117.3	163.8	176.1	-66.1	-179.2	-171.1	-74.1	0	111	D248 W531 H550 D551	D248-K529 VanDerWaalsContact CG-CE 3.42Å; D248-K529 VanDerWaalsContact CG-NZ 3.31Å; D248-K529 WeakPolarHBondContact OD1-CE 3.36Å; D248-K529 IonicContact OD1-NZ 2.6Å; D248-K529 PolarHBondContact OD1-NZ 3.26Å; D248-K529 WeakPolarHBondContact OD2-CE 3.24Å; D248-K529 IonicContact OD2-NZ 2.71Å; D248-K529 PolarHBondContact OD2-NZ 3.38Å; K529-W531 HydrophobicContact CB-CH2 3.63Å; K529-W531 HydrophobicContact CB-CZ2 4.22Å; K529-W531 HydrophobicContact CB-CZ3 3.82Å; K529-W531 VanDerWaalsContact O-CZ3 3.26Å; K529-W531 WeakPolarHBondContact O-CZ3 3.33Å; K529-H550 CarbonylContact C-O 3.55Å; K529-H550 WeakPolarHBondContact CA-O 3.15Å; K529-D551 HydrophobicContact CG-CB 4.43Å; K529-D551 IonicContact NZ-OD2 2.73Å; K529-D551 PolarHBondContact NZ-OD2 2.84Å
530	T	86	Confident	86.2	Confident	5 Å²	5	33 Å²	33	3%	0.031	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-126.2	157.9	169.4	-179.4	0	0	0	0	109.6	K522 I524 G549 H550	K522-T530 HydrophobicContact CD-CG2 4.39Å; K522-T530 PolarHBondContact NZ-OG1 2.97Å; I524-T530 HydrophobicContact CG2-CG2 3.85Å; T530-G549 WeakPolarHBondContact O-CA 3.24Å; T530-H550 WeakPolarHBondContact CG2-NE2 3.44Å; T530-H550 PolarHBondContact N-O 2.99Å; T530-H550 PolarHBondContact O-CE1 3.11Å; T530-H550 VanDerWaalsContact O-CE1 3.28Å; T530-H550 PolarHBondContact O-N 3.13Å; T530-H550 PolarHBondContact O-ND1 2.51Å
531	W	84.9	Confident	86.5	Confident	24 Å²	24	31.2 Å²	31.2	9%	0.091	16%	0.156	C	C	.	.			trans	-122.5	4.4	-175.5	-75.1	-98.6	0	0	0	113.5	P81 I86 M215 L219 K529 F533	P81-W531 HydrophobicContact CG-CB 4.13Å; I86-W531 HydrophobicContact CD1-CE3 3.91Å; I86-W531 HydrophobicContact CD1-CZ3 3.7Å; I86-W531 HydrophobicContact CG1-CE3 4.46Å; I86-W531 HydrophobicContact CG1-CZ3 4.36Å; I86-W531 HydrophobicContact CG2-CZ3 4.48Å; M215-W531 HydrophobicContact CE-CB 3.82Å; M215-W531 HydrophobicContact CE-CD2 3.87Å; M215-W531 HydrophobicContact CE-CE3 4.14Å; M215-W531 HydrophobicContact CE-CG 3.74Å; M215-W531 HydrophobicContact CG-CB 4.3Å; M215-W531 HydrophobicContact CG-CG 3.89Å; M215-W531 HydrophobicContact SD-CB 4.12Å; M215-W531 HydrophobicContact SD-CG 4.22Å; L219-W531 HydrophobicContact CD1-CZ2 4.39Å; L219-W531 HydrophobicContact CD2-CH2 3.37Å; L219-W531 HydrophobicContact CD2-CZ2 3.66Å; L219-W531 HydrophobicContact CD2-CZ3 4.23Å; L219-W531 HydrophobicContact CG-CH2 4.03Å; L219-W531 HydrophobicContact CG-CZ2 3.81Å; K529-W531 HydrophobicContact CB-CH2 3.63Å; K529-W531 HydrophobicContact CB-CZ2 4.22Å; K529-W531 HydrophobicContact CB-CZ3 3.82Å; K529-W531 VanDerWaalsContact O-CZ3 3.26Å; K529-W531 WeakPolarHBondContact O-CZ3 3.33Å; W531-F533 PolarHBondContact O-N 2.88Å; W531-F533 VanDerWaalsContact O-N 3.13Å
532	T	81.1	Confident	86.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.			trans	-58.9	117	172.4	-46.1	0	0	0	0	109.8	E80 C534 H550	E80-T532 VanDerWaalsContact CD-OG1 3.29Å; E80-T532 HydrophobicContact CG-CG2 4.17Å; E80-T532 WeakPolarHBondContact OE1-CG2 3.35Å; E80-T532 PolarHBondContact OE1-OG1 3.45Å; E80-T532 PolarHBondContact OE2-OG1 3.39Å; T532-C534 HydrophobicContact CG2-CB 4.12Å; T532-C534 PolarHBondContact O-N 3.22Å; T532-C534 VanDerWaalsContact O-N 3.17Å; T532-H550 PolarHBondContact O-CE1 2.92Å
533	F	83.3	Confident	86.4	Confident	9 Å²	9	28.8 Å²	28.8	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	107.1	172.3	178	-80.3	0	0	0	108	I77 S78 A79 Y186 W531 V540 I544 I545 Y582	I77-F533 HydrophobicContact CD1-CD1 4.49Å; I77-F533 HydrophobicContact CD1-CE1 3.5Å; I77-F533 VanDerWaalsContact CD1-CE1 3.5Å; I77-F533 HydrophobicContact CD1-CZ 4.21Å; I77-F533 HydrophobicContact CG1-CE1 3.91Å; S78-F533 CarbonylContact C-O 3.47Å; S78-F533 WeakPolarHBondContact CA-O 3.33Å; A79-F533 HydrophobicContact CB-CB 4.17Å; A79-F533 HydrophobicContact CB-CD1 4.49Å; A79-F533 PolarHBondContact N-O 2.88Å; A79-F533 PolarHBondContact O-N 3.39Å; Y186-F533 AromaticContact CD1-CD1 3.68Å; Y186-F533 HydrophobicContact CD1-CD1 3.68Å; Y186-F533 AromaticContact CD1-CD2 3.74Å; Y186-F533 HydrophobicContact CD1-CD2 3.74Å; Y186-F533 AromaticContact CD1-CE1 3.25Å; Y186-F533 HydrophobicContact CD1-CE1 3.25Å; Y186-F533 AromaticContact CD1-CE2 3.34Å; Y186-F533 HydrophobicContact CD1-CE2 3.34Å; Y186-F533 AromaticContact CD1-CG 3.93Å; Y186-F533 HydrophobicContact CD1-CG 3.93Å; Y186-F533 AromaticContact CD1-CZ 3.08Å; Y186-F533 HydrophobicContact CD1-CZ 3.08Å; Y186-F533 AromaticContact CE1-CD2 3.91Å; Y186-F533 HydrophobicContact CE1-CD2 3.91Å; Y186-F533 HydrophobicContact CE1-CE1 4.05Å; Y186-F533 AromaticContact CE1-CE2 3.29Å; Y186-F533 HydrophobicContact CE1-CE2 3.29Å; Y186-F533 AromaticContact CE1-CZ 3.39Å; Y186-F533 HydrophobicContact CE1-CZ 3.39Å; Y186-F533 HydrophobicContact CG-CD1 4.43Å; Y186-F533 AromaticContact CG-CE1 3.93Å; Y186-F533 HydrophobicContact CG-CE1 3.93Å; Y186-F533 HydrophobicContact CG-CZ 4.04Å; W531-F533 PolarHBondContact O-N 2.88Å; W531-F533 VanDerWaalsContact O-N 3.13Å; F533-V540 HydrophobicContact CE2-CG1 4.19Å; F533-V540 HydrophobicContact CZ-CG1 4.43Å; F533-I544 HydrophobicContact CD2-CG2 3.66Å; F533-I544 WeakPolarHBondContact CD2-O 3.34Å; F533-I544 HydrophobicContact CE2-CG2 4.01Å; F533-I544 HydrophobicContact CG-CG2 4.28Å; F533-I545 HydrophobicContact CE2-CG1 4.49Å; F533-Y582 HydrophobicContact CZ-CE1 4.31Å; F533-Y582 HydrophobicContact CZ-CE2 4.38Å; F533-Y582 AromaticContact CZ-CZ 3.88Å
534	C	83.8	Confident	86.4	Confident	1 Å²	1	24 Å²	24	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	166.7	179.6	65.9	0	0	0	0	113.5	I77 R498 F520 T532	I77-C534 CarbonylContact O-C 3.56Å; I77-C534 WeakPolarHBondContact O-CA 3.29Å; I77-C534 WeakPolarHBondContact O-CB 3.41Å; R498-C534 VanDerWaalsContact CZ-SG 3.51Å; F520-C534 HydrophobicContact CD1-CB 3.91Å; F520-C534 HydrophobicContact CE1-CB 4.4Å; F520-C534 HydrophobicContact CG-CB 4.33Å; T532-C534 HydrophobicContact CG2-CB 4.12Å; T532-C534 PolarHBondContact O-N 3.22Å; T532-C534 VanDerWaalsContact O-N 3.17Å
535	G	87.6	Confident	86.3	Confident	2 Å²	2	23.1 Å²	23.1	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115	-176.6	176.3	0	0	0	0	0	112.5	A76 I77 R498	A76-G535 WeakPolarHBondContact CA-O 3.26Å; I77-G535 WeakPolarHBondContact CG1-O 3.38Å; I77-G535 PolarHBondContact N-O 3.23Å; I77-G535 PolarHBondContact O-N 3.43Å; R498-G535 WeakPolarHBondContact O-CA 3.33Å
536	T	89.6	Confident	86.6	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.			trans	-87.9	128.3	179.5	-59.7	0	0	0	0	110.2	R74 D499 K501 E538 Y539 V540	R74-T536 HydrophobicContact CB-CG2 3.66Å; R74-T536 HydrophobicContact CG-CG2 4.36Å; D499-T536 PolarHBondContact OD1-N 3.42Å; D499-T536 PolarHBondContact OD1-OG1 2.83Å; K501-T536 HydrophobicContact CD-CG2 4.47Å; K501-T536 WeakPolarHBondContact CD-OG1 3.47Å; K501-T536 PolarHBondContact NZ-OG1 3.1Å; T536-E538 VanDerWaalsContact C-N 3.29Å; T536-E538 WeakPolarHBondContact CG2-OE2 3.48Å; T536-E538 PolarHBondContact O-N 3.33Å; T536-Y539 HydrophobicContact CG2-CD2 4.39Å; T536-Y539 WeakPolarHBondContact O-CA 3.2Å; T536-Y539 WeakPolarHBondContact O-CB 3.46Å; T536-Y539 PolarHBondContact O-N 3.16Å; T536-V540 WeakPolarHBondContact O-CG2 3.43Å; T536-V540 PolarHBondContact O-N 2.95Å
537	P	89.6	Confident	86.7	Confident	12 Å²	12	17.3 Å²	17.3	8%	0.078	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-47.9	-40	-167.2	-32.6	36	0	0	0	116.8	I77 Y539 P578 Y582 I585	I77-P537 HydrophobicContact CD1-CG 4.15Å; P537-Y539 PolarHBondContact O-N 3.11Å; P537-P578 HydrophobicContact CB-CB 4.33Å; P537-P578 HydrophobicContact CG-CB 4.38Å; P537-P578 HydrophobicContact CG-CG 4.5Å; P537-Y582 HydrophobicContact CB-CE1 3.92Å; P537-I585 WeakPolarHBondContact O-CD1 3.42Å
538	E	94	Very high	87.2	Confident	32 Å²	32	21.7 Å²	21.7	15%	0.15	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-74.2	-13.8	-179.4	-55.3	78.1	-163.8	0	0	113.7	R74 T536 I561 P571 F573 T581	R74-E538 WeakPolarHBondContact CD-OE2 3.47Å; T536-E538 VanDerWaalsContact C-N 3.29Å; T536-E538 WeakPolarHBondContact CG2-OE2 3.48Å; T536-E538 PolarHBondContact O-N 3.33Å; E538-I561 WeakPolarHBondContact O-CG2 3.06Å; E538-P571 HydrophobicContact CB-CB 3.86Å; E538-P571 HydrophobicContact CB-CG 3.74Å; E538-P571 HydrophobicContact CG-CB 4.45Å; E538-P571 HydrophobicContact CG-CG 3.79Å; E538-F573 WeakPolarHBondContact CG-O 3.33Å; E538-T581 HydrophobicContact CB-CG2 4.49Å; E538-T581 HydrophobicContact CG-CG2 4.12Å
539	Y	97	Very high	87.4	Confident	4 Å²	4	15.4 Å²	15.4	2%	0.016	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-107.9	-9.6	-176.7	-79.5	-96	0	0	0	114.1	L500 K501 P502 T536 P537 S558 I561 L562 E565	L500-Y539 WeakPolarHBondContact O-CD1 3.34Å; L500-Y539 WeakPolarHBondContact O-CE1 3.42Å; L500-Y539 VanDerWaalsContact O-CG 3.3Å; K501-Y539 HydrophobicContact CB-CD2 4.35Å; K501-Y539 HydrophobicContact CB-CE1 4.43Å; K501-Y539 HydrophobicContact CB-CE2 4.04Å; P502-Y539 VanDerWaalsContact CD-OH 3.23Å; P502-Y539 WeakPolarHBondContact CD-OH 3.46Å; T536-Y539 HydrophobicContact CG2-CD2 4.39Å; T536-Y539 WeakPolarHBondContact O-CA 3.2Å; T536-Y539 WeakPolarHBondContact O-CB 3.46Å; T536-Y539 PolarHBondContact O-N 3.16Å; P537-Y539 PolarHBondContact O-N 3.11Å; Y539-S558 PolarHBondContact O-OG 3.42Å; Y539-I561 HydrophobicContact CD1-CB 3.69Å; Y539-I561 HydrophobicContact CD1-CG1 4.46Å; Y539-I561 HydrophobicContact CD1-CG2 3.54Å; Y539-I561 HydrophobicContact CD2-CG2 4Å; Y539-I561 HydrophobicContact CE1-CB 3.73Å; Y539-I561 HydrophobicContact CE1-CG2 3.48Å; Y539-I561 VanDerWaalsContact CE1-CG2 3.48Å; Y539-I561 HydrophobicContact CE2-CG2 3.89Å; Y539-I561 HydrophobicContact CG-CB 4.35Å; Y539-I561 HydrophobicContact CG-CG2 3.83Å; Y539-L562 HydrophobicContact CE1-CB 4.1Å; Y539-E565 WeakPolarHBondContact CE2-OE2 3.34Å; Y539-E565 VanDerWaalsContact CZ-OE2 3.29Å; Y539-E565 PolarHBondContact OH-OE2 3.45Å
540	V	94.4	Very high	87.7	Confident	4 Å²	4	14 Å²	14	2%	0.024	7%	0.067	C	C	.	.			trans	-68.5	133	-178.7	179.6	0	0	0	0	110.2	F533 T536 I544 I545 W557	F533-V540 HydrophobicContact CE2-CG1 4.19Å; F533-V540 HydrophobicContact CZ-CG1 4.43Å; T536-V540 WeakPolarHBondContact O-CG2 3.43Å; T536-V540 PolarHBondContact O-N 2.95Å; V540-I544 HydrophobicContact CG1-CB 3.56Å; V540-I544 HydrophobicContact CG1-CD1 4.21Å; V540-I544 HydrophobicContact CG1-CG1 4.42Å; V540-I544 HydrophobicContact CG1-CG2 3.57Å; V540-I545 HydrophobicContact CB-CG1 4.44Å; V540-I545 HydrophobicContact CG1-CD1 4.49Å; V540-I545 HydrophobicContact CG1-CG1 3.7Å; V540-W557 PolarHBondContact O-NE1 2.95Å
541	A	95.8	Very high	88	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.			trans	-77.5	150.1	178.8	0	0	0	0	0	112.4	E543 I544 I545 A554 W557	A541-E543 VanDerWaalsContact C-N 3.29Å; A541-E543 WeakPolarHBondContact CB-OE1 3.14Å; A541-E543 VanDerWaalsContact CB-OE2 3.24Å; A541-E543 WeakPolarHBondContact CB-OE2 3.13Å; A541-E543 PolarHBondContact O-N 3.19Å; A541-I544 HydrophobicContact CB-CD1 4.32Å; A541-I544 HydrophobicContact CB-CG1 4.45Å; A541-I544 WeakPolarHBondContact O-CB 3.4Å; A541-I544 PolarHBondContact O-N 3.32Å; A541-I545 PolarHBondContact O-N 3.21Å; A541-A554 HydrophobicContact CB-CB 4.05Å; A541-W557 HydrophobicContact CB-CB 3.85Å; A541-W557 HydrophobicContact CB-CD2 4.22Å; A541-W557 HydrophobicContact CB-CG 3.68Å
542	P	93.6	Very high	88.4	Confident	8 Å²	8	15 Å²	15	5%	0.052	7%	0.074	C	C	.	.	H	α-helix	trans	-52.1	-40.1	-176.6	-28.1	33.7	0	0	0	114.9	I544 I545 L546 W557 I585 L586	P542-I544 VanDerWaalsContact C-N 3.29Å; P542-I544 PolarHBondContact O-N 3.34Å; P542-I545 PolarHBondContact O-N 3.17Å; P542-L546 WeakPolarHBondContact O-CB 3.25Å; P542-L546 WeakPolarHBondContact O-CG 3.19Å; P542-L546 PolarHBondContact O-N 2.82Å; P542-W557 HydrophobicContact CG-CE3 4.13Å; P542-W557 HydrophobicContact CG-CH2 3.58Å; P542-W557 HydrophobicContact CG-CZ2 4.04Å; P542-W557 HydrophobicContact CG-CZ3 3.61Å; P542-I585 HydrophobicContact CB-CG2 4.45Å; P542-I585 HydrophobicContact CG-CG2 3.82Å; P542-L586 HydrophobicContact CB-CD2 4.17Å
543	E	91.5	Very high	89.1	Confident	10 Å²	10	15 Å²	15	5%	0.047	7%	0.074	C	C	.	.	H	α-helix	trans	-66.7	-28	179.8	70.4	-81.4	-162.8	0	0	113.3	A541 N547 K548 H550 P614 R617	A541-E543 VanDerWaalsContact C-N 3.29Å; A541-E543 WeakPolarHBondContact CB-OE1 3.14Å; A541-E543 VanDerWaalsContact CB-OE2 3.24Å; A541-E543 WeakPolarHBondContact CB-OE2 3.13Å; A541-E543 PolarHBondContact O-N 3.19Å; E543-N547 PolarHBondContact O-N 3.11Å; E543-N547 VanDerWaalsContact O-N 3.14Å; E543-K548 HydrophobicContact CB-CB 4.34Å; E543-K548 PolarHBondContact O-N 3.29Å; E543-H550 HydrophobicContact CG-CB 3.9Å; E543-P614 HydrophobicContact CB-CG 4.16Å; E543-P614 HydrophobicContact CG-CG 3.96Å; E543-R617 IonicContact OE1-CZ 3.39Å; E543-R617 IonicContact OE1-NH1 2.59Å; E543-R617 PolarHBondContact OE1-NH1 3.03Å; E543-R617 IonicContact OE1-NH2 2.87Å; E543-R617 PolarHBondContact OE1-NH2 3.11Å; E543-R617 IonicContact OE2-CZ 3.29Å; E543-R617 IonicContact OE2-NH1 2.71Å; E543-R617 PolarHBondContact OE2-NH1 3.23Å; E543-R617 IonicContact OE2-NH2 3.14Å; E543-R617 PolarHBondContact OE2-NH2 3.35Å
544	I	89.7	Confident	89.8	Confident	9 Å²	9	14.7 Å²	14.7	5%	0.046	7%	0.073	C	C	.	.	H	α-helix	trans	-71	-45.9	172.4	-59.5	175.8	0	0	0	108.8	F533 V540 A541 P542 L546 N547 H550 A554	F533-I544 HydrophobicContact CD2-CG2 3.66Å; F533-I544 WeakPolarHBondContact CD2-O 3.34Å; F533-I544 HydrophobicContact CE2-CG2 4.01Å; F533-I544 HydrophobicContact CG-CG2 4.28Å; V540-I544 HydrophobicContact CG1-CB 3.56Å; V540-I544 HydrophobicContact CG1-CD1 4.21Å; V540-I544 HydrophobicContact CG1-CG1 4.42Å; V540-I544 HydrophobicContact CG1-CG2 3.57Å; A541-I544 HydrophobicContact CB-CD1 4.32Å; A541-I544 HydrophobicContact CB-CG1 4.45Å; A541-I544 WeakPolarHBondContact O-CB 3.4Å; A541-I544 PolarHBondContact O-N 3.32Å; P542-I544 VanDerWaalsContact C-N 3.29Å; P542-I544 PolarHBondContact O-N 3.34Å; I544-L546 VanDerWaalsContact C-N 3.32Å; I544-L546 PolarHBondContact O-N 2.91Å; I544-N547 PolarHBondContact O-N 3.36Å; I544-N547 VanDerWaalsContact O-N 3.1Å; I544-H550 HydrophobicContact CD1-CB 4.43Å; I544-H550 HydrophobicContact CG1-CB 3.74Å; I544-A554 HydrophobicContact CD1-CB 3.93Å
545	I	85.2	Confident	90.5	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-61.5	-42.1	178.6	-50.1	174.7	0	0	0	111	F116 Y186 F533 V540 A541 P542 N547 Y582 I585 L586	F116-I545 HydrophobicContact CD2-CG2 4.43Å; F116-I545 HydrophobicContact CE2-CG2 3.7Å; F116-I545 VanDerWaalsContact CZ-O 3.29Å; F116-I545 WeakPolarHBondContact CZ-O 3.41Å; Y186-I545 HydrophobicContact CE1-CG2 4.46Å; F533-I545 HydrophobicContact CE2-CG1 4.49Å; V540-I545 HydrophobicContact CB-CG1 4.44Å; V540-I545 HydrophobicContact CG1-CD1 4.49Å; V540-I545 HydrophobicContact CG1-CG1 3.7Å; A541-I545 PolarHBondContact O-N 3.21Å; P542-I545 PolarHBondContact O-N 3.17Å; I545-N547 PolarHBondContact O-N 3.1Å; I545-Y582 HydrophobicContact CD1-CD1 3.62Å; I545-Y582 HydrophobicContact CD1-CG 4.09Å; I545-Y582 HydrophobicContact CG1-CD1 4.05Å; I545-Y582 HydrophobicContact CG1-CG 4.49Å; I545-Y582 HydrophobicContact CG2-CD1 4.42Å; I545-Y582 HydrophobicContact CG2-CG 4.03Å; I545-I585 HydrophobicContact CD1-CB 3.86Å; I545-I585 HydrophobicContact CD1-CD1 3.94Å; I545-I585 HydrophobicContact CD1-CG2 3.51Å; I545-L586 HydrophobicContact CB-CD2 4.42Å; I545-L586 HydrophobicContact CG2-CD1 4.37Å
546	L	81.8	Confident	91	Very high	23 Å²	23	14.9 Å²	14.9	12%	0.12	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0.3	178.7	-63.3	174	0	0	0	113.6	F116 N119 P542 I544 K548 L586	F116-L546 HydrophobicContact CE2-CD2 4.23Å; N119-L546 HydrophobicContact CB-CD2 3.83Å; P542-L546 WeakPolarHBondContact O-CB 3.25Å; P542-L546 WeakPolarHBondContact O-CG 3.19Å; P542-L546 PolarHBondContact O-N 2.82Å; I544-L546 VanDerWaalsContact C-N 3.32Å; I544-L546 PolarHBondContact O-N 2.91Å; L546-K548 HydrophobicContact CB-CD 4.23Å; L546-K548 HydrophobicContact CB-CG 3.94Å; L546-K548 HydrophobicContact CD1-CD 4.35Å; L546-K548 PolarHBondContact O-N 2.85Å; L546-L586 HydrophobicContact CD1-CD2 3.95Å; L546-L586 HydrophobicContact CD2-CD1 4.12Å; L546-L586 HydrophobicContact CD2-CD2 3.87Å; L546-L586 HydrophobicContact CG-CD2 3.7Å
547	N	77.9	Confident	91.4	Very high	22 Å²	22	14.9 Å²	14.9	12%	0.118	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	36.4	-177.5	-163.3	37.6	0	0	0	113.9	M214 E543 I544 I545 G549	M214-N547 HydrophobicContact CB-CB 4.38Å; M214-N547 VanDerWaalsContact CB-ND2 3.3Å; M214-N547 WeakPolarHBondContact CB-ND2 3.43Å; E543-N547 PolarHBondContact O-N 3.11Å; E543-N547 VanDerWaalsContact O-N 3.14Å; I544-N547 PolarHBondContact O-N 3.36Å; I544-N547 VanDerWaalsContact O-N 3.1Å; I545-N547 PolarHBondContact O-N 3.1Å; N547-G549 PolarHBondContact O-N 2.89Å
548	K	79.6	Confident	91.9	Very high	120 Å²	120	14.6 Å²	14.6	52%	0.522	7%	0.072	S	C	.	.	S	Bend	trans	-81.1	2.1	179.2	-69.2	-174.5	174.9	-173.9	0	113.4	E543 L546	E543-K548 HydrophobicContact CB-CB 4.34Å; E543-K548 PolarHBondContact O-N 3.29Å; L546-K548 HydrophobicContact CB-CD 4.23Å; L546-K548 HydrophobicContact CB-CG 3.94Å; L546-K548 HydrophobicContact CD1-CD 4.35Å; L546-K548 PolarHBondContact O-N 2.85Å
549	G	84.1	Confident	92.1	Very high	3 Å²	3	13 Å²	13	3%	0.031	6%	0.064	C	C	.	.			trans	80	144.5	-168.2	0	0	0	0	0	110.9	T530 N547	T530-G549 WeakPolarHBondContact O-CA 3.24Å; N547-G549 PolarHBondContact O-N 2.89Å
550	H	90.7	Very high	92.2	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.014	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-137.1	156.3	-178	59.1	-76.8	0	0	0	111.7	R498 K529 T530 T532 E543 I544 A554	R498-H550 VanDerWaalsContact CD-NE2 3.34Å; R498-H550 WeakPolarHBondContact CD-NE2 3.22Å; K529-H550 CarbonylContact C-O 3.55Å; K529-H550 WeakPolarHBondContact CA-O 3.15Å; T530-H550 WeakPolarHBondContact CG2-NE2 3.44Å; T530-H550 PolarHBondContact N-O 2.99Å; T530-H550 PolarHBondContact O-CE1 3.11Å; T530-H550 VanDerWaalsContact O-CE1 3.28Å; T530-H550 PolarHBondContact O-N 3.13Å; T530-H550 PolarHBondContact O-ND1 2.51Å; T532-H550 PolarHBondContact O-CE1 2.92Å; E543-H550 HydrophobicContact CG-CB 3.9Å; I544-H550 HydrophobicContact CD1-CB 4.43Å; I544-H550 HydrophobicContact CG1-CB 3.74Å; H550-A554 HydrophobicContact CB-CB 4.42Å
551	D	91.9	Very high	92.4	Very high	17 Å²	17	12.7 Å²	12.7	9%	0.091	6%	0.062	C	C	.	.			trans	-138.2	-168.5	179.1	57.5	48.8	0	0	0	109.5	I496 I524 K529 S553 A554	I496-D551 WeakPolarHBondContact CD1-O 3.37Å; I524-D551 HydrophobicContact CD1-CB 3.87Å; K529-D551 HydrophobicContact CG-CB 4.43Å; K529-D551 IonicContact NZ-OD2 2.73Å; K529-D551 PolarHBondContact NZ-OD2 2.84Å; D551-S553 PolarHBondContact O-N 3.17Å; D551-S553 WeakPolarHBondContact OD1-CB 3.35Å; D551-S553 PolarHBondContact OD1-N 3.39Å; D551-S553 PolarHBondContact OD1-OG 3.26Å; D551-A554 PolarHBondContact O-N 3.36Å
552	I	94.6	Very high	92.5	Very high	35 Å²	35	12.7 Å²	12.7	18%	0.179	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-20.1	-178.1	62.1	166.7	0	0	0	114.7	H491 I496 A554 D555	H491-I552 HydrophobicContact CB-CB 4.41Å; H491-I552 HydrophobicContact CB-CD1 3.9Å; H491-I552 HydrophobicContact CB-CG2 4.28Å; I496-I552 HydrophobicContact CB-CG2 4.33Å; I552-A554 PolarHBondContact O-N 2.87Å; I552-D555 WeakPolarHBondContact O-CB 3.16Å; I552-D555 PolarHBondContact O-N 3.24Å
553	S	95.5	Very high	92.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.1	-21.2	176.8	62.8	0	0	0	0	114.6	D551 D555 Y556 W557 P614 R617 N620	D551-S553 PolarHBondContact O-N 3.17Å; D551-S553 WeakPolarHBondContact OD1-CB 3.35Å; D551-S553 PolarHBondContact OD1-N 3.39Å; D551-S553 PolarHBondContact OD1-OG 3.26Å; S553-D555 VanDerWaalsContact C-N 3.29Å; S553-D555 PolarHBondContact O-N 2.91Å; S553-Y556 PolarHBondContact O-N 2.8Å; S553-W557 PolarHBondContact O-N 3.49Å; S553-P614 VanDerWaalsContact OG-CB 3.24Å; S553-P614 WeakPolarHBondContact OG-CB 3.45Å; S553-R617 WeakPolarHBondContact O-CD 3.4Å; S553-R617 PolarHBondContact O-NH1 2.89Å; S553-N620 WeakPolarHBondContact CB-ND2 3.42Å
554	A	97.7	Very high	93.1	Very high	2 Å²	2	12.4 Å²	12.4	2%	0.017	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-33.4	173.6	0	0	0	0	0	111.8	I496 A541 I544 H550 D551 I552 Y556 W557 S558	I496-A554 HydrophobicContact CD1-CB 4.28Å; A541-A554 HydrophobicContact CB-CB 4.05Å; I544-A554 HydrophobicContact CD1-CB 3.93Å; H550-A554 HydrophobicContact CB-CB 4.42Å; D551-A554 PolarHBondContact O-N 3.36Å; I552-A554 PolarHBondContact O-N 2.87Å; A554-Y556 VanDerWaalsContact C-N 3.3Å; A554-Y556 PolarHBondContact O-N 3.45Å; A554-W557 WeakPolarHBondContact O-CB 3.5Å; A554-W557 PolarHBondContact O-N 3.17Å; A554-S558 PolarHBondContact O-N 3.02Å; A554-S558 VanDerWaalsContact O-N 3.09Å; A554-S558 PolarHBondContact O-OG 3.35Å; A554-S558 VanDerWaalsContact O-OG 3.06Å
555	D	98.4	Very high	93.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.2	-33.9	177.2	-72.4	-29.8	0	0	0	111.6	F487 H491 I496 Y497 R498 I552 S553 S558 L559	F487-D555 HydrophobicContact CD2-CB 4.22Å; F487-D555 HydrophobicContact CE1-CB 4.19Å; F487-D555 HydrophobicContact CE2-CB 3.72Å; F487-D555 VanDerWaalsContact CE2-O 3.28Å; F487-D555 WeakPolarHBondContact CE2-O 3.47Å; F487-D555 HydrophobicContact CZ-CB 3.67Å; H491-D555 IonicContact NE2-OD2 3.53Å; H491-D555 PolarHBondContact NE2-OD2 3.21Å; H491-D555 VanDerWaalsContact NE2-OD2 3.15Å; I496-D555 VanDerWaalsContact CG1-OD2 3.26Å; I496-D555 WeakPolarHBondContact CG1-OD2 3.35Å; Y497-D555 PolarHBondContact N-OD2 3.15Å; R498-D555 PolarHBondContact N-OD1 3.3Å; I552-D555 WeakPolarHBondContact O-CB 3.16Å; I552-D555 PolarHBondContact O-N 3.24Å; S553-D555 VanDerWaalsContact C-N 3.29Å; S553-D555 PolarHBondContact O-N 2.91Å; D555-S558 PolarHBondContact O-N 3.38Å; D555-L559 PolarHBondContact O-N 3.08Å
556	Y	98.6	Very high	94.2	Very high	6 Å²	6	12.2 Å²	12.2	2%	0.024	6%	0.059	C	C	.	.	H	α-helix	trans	-69.6	-32.7	174.4	-58.8	-50.9	0	0	0	112.8	F487 H491 S553 A554 L559 G560 L609 G619 N620 I628	F487-Y556 HydrophobicContact CD2-CD1 4.38Å; F487-Y556 HydrophobicContact CD2-CE1 4.46Å; H491-Y556 AromaticContact CE1-CE1 3.7Å; H491-Y556 AromaticContact CE1-CZ 3.57Å; H491-Y556 AromaticContact ND1-CE1 3.74Å; H491-Y556 AromaticContact ND1-CE2 3.93Å; H491-Y556 AromaticContact ND1-CZ 3.26Å; H491-Y556 VanDerWaalsContact ND1-CZ 3.26Å; H491-Y556 PolarHBondContact ND1-OH 3.09Å; S553-Y556 PolarHBondContact O-N 2.8Å; A554-Y556 VanDerWaalsContact C-N 3.3Å; A554-Y556 PolarHBondContact O-N 3.45Å; Y556-L559 WeakPolarHBondContact O-CB 3.21Å; Y556-L559 PolarHBondContact O-N 3.14Å; Y556-G560 PolarHBondContact O-N 3.47Å; Y556-L609 WeakPolarHBondContact O-CB 3.17Å; Y556-G619 WeakPolarHBondContact CE2-O 3.46Å; Y556-G619 PolarHBondContact OH-O 2.88Å; Y556-N620 HydrophobicContact CD2-CB 4.22Å; Y556-N620 HydrophobicContact CE2-CB 4.28Å; Y556-I628 HydrophobicContact CD1-CD1 3.61Å; Y556-I628 HydrophobicContact CE1-CD1 3.74Å; Y556-I628 HydrophobicContact CG-CD1 4.43Å
557	W	98.7	Very high	95	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.6	-52.6	168.7	170.6	-83.8	0	0	0	109.9	V540 A541 P542 S553 A554 L559 G560 I561 F573 I585 C610	V540-W557 PolarHBondContact O-NE1 2.95Å; A541-W557 HydrophobicContact CB-CB 3.85Å; A541-W557 HydrophobicContact CB-CD2 4.22Å; A541-W557 HydrophobicContact CB-CG 3.68Å; P542-W557 HydrophobicContact CG-CE3 4.13Å; P542-W557 HydrophobicContact CG-CH2 3.58Å; P542-W557 HydrophobicContact CG-CZ2 4.04Å; P542-W557 HydrophobicContact CG-CZ3 3.61Å; S553-W557 PolarHBondContact O-N 3.49Å; A554-W557 WeakPolarHBondContact O-CB 3.5Å; A554-W557 PolarHBondContact O-N 3.17Å; W557-L559 PolarHBondContact O-N 3.03Å; W557-G560 WeakPolarHBondContact O-CA 3.38Å; W557-G560 PolarHBondContact O-N 3.48Å; W557-I561 HydrophobicContact CZ2-CD1 4.32Å; W557-I561 WeakPolarHBondContact O-CG1 3.23Å; W557-I561 PolarHBondContact O-N 3.4Å; W557-I561 VanDerWaalsContact O-N 3.16Å; W557-F573 AromaticContact CH2-CE2 3.86Å; W557-F573 HydrophobicContact CH2-CE2 3.86Å; W557-F573 AromaticContact CH2-CZ 3.95Å; W557-F573 HydrophobicContact CH2-CZ 3.95Å; W557-F573 HydrophobicContact CZ2-CD2 4.05Å; W557-F573 AromaticContact CZ2-CE2 3.4Å; W557-F573 HydrophobicContact CZ2-CE2 3.4Å; W557-F573 AromaticContact CZ2-CZ 3.95Å; W557-F573 HydrophobicContact CZ2-CZ 3.95Å; W557-I585 HydrophobicContact CH2-CG2 4.21Å; W557-I585 HydrophobicContact CZ2-CG2 3.72Å; W557-C610 HydrophobicContact CD2-CB 4.38Å; W557-C610 VanDerWaalsContact CE3-CA 3.47Å; W557-C610 HydrophobicContact CE3-CB 3.87Å; W557-C610 HydrophobicContact CH2-CB 4.22Å; W557-C610 HydrophobicContact CZ3-CB 3.79Å; W557-C610 VanDerWaalsContact CZ3-O 3.3Å; W557-C610 WeakPolarHBondContact CZ3-O 3.23Å
558	S	98.6	Very high	95.9	Very high	6 Å²	6	11.2 Å²	11.2	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-58.3	-32.3	178.5	-46	0	0	0	0	112.6	Y539 A554 D555 I561 L562	Y539-S558 PolarHBondContact O-OG 3.42Å; A554-S558 PolarHBondContact O-N 3.02Å; A554-S558 VanDerWaalsContact O-N 3.09Å; A554-S558 PolarHBondContact O-OG 3.35Å; A554-S558 VanDerWaalsContact O-OG 3.06Å; D555-S558 PolarHBondContact O-N 3.38Å; S558-I561 WeakPolarHBondContact O-CB 3.43Å; S558-I561 PolarHBondContact O-N 3.44Å; S558-L562 WeakPolarHBondContact O-CB 3.42Å; S558-L562 PolarHBondContact O-N 2.79Å
559	L	98.9	Very high	96.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.7	-41.1	173.6	-173.3	65.7	0	0	0	112.1	T480 V483 V484 F487 L500 D555 Y556 W557 L562 M563 L609 I628	T480-L559 HydrophobicContact CG2-CD1 3.79Å; T480-L559 HydrophobicContact CG2-CG 4.24Å; V483-L559 HydrophobicContact CB-CD1 4.07Å; V483-L559 HydrophobicContact CG1-CD1 3.71Å; V484-L559 HydrophobicContact CG2-CD1 4.45Å; V484-L559 HydrophobicContact CG2-CD2 3.68Å; F487-L559 HydrophobicContact CE2-CB 4.21Å; L500-L559 HydrophobicContact CD2-CB 4.29Å; L500-L559 HydrophobicContact CD2-CD1 4.22Å; D555-L559 PolarHBondContact O-N 3.08Å; Y556-L559 WeakPolarHBondContact O-CB 3.21Å; Y556-L559 PolarHBondContact O-N 3.14Å; W557-L559 PolarHBondContact O-N 3.03Å; L559-L562 PolarHBondContact O-N 3.44Å; L559-M563 WeakPolarHBondContact O-CG 3.33Å; L559-M563 PolarHBondContact O-N 3.06Å; L559-L609 HydrophobicContact CB-CD1 4.39Å; L559-L609 HydrophobicContact CD2-CD1 4.1Å; L559-L609 HydrophobicContact CD2-CD2 4.16Å; L559-L609 HydrophobicContact CG-CD1 4.1Å; L559-I628 HydrophobicContact CD2-CD1 4.18Å
560	G	98.8	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.8	-40.2	175.4	0	0	0	0	0	112.3	Y556 W557 M563 F564	Y556-G560 PolarHBondContact O-N 3.47Å; W557-G560 WeakPolarHBondContact O-CA 3.38Å; W557-G560 PolarHBondContact O-N 3.48Å; G560-M563 PolarHBondContact O-N 3.1Å; G560-F564 PolarHBondContact O-N 3.15Å; G560-F564 VanDerWaalsContact O-N 3.11Å
561	I	98.7	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.3	-48.6	173.1	-53.2	-48.8	0	0	0	110.5	E538 Y539 W557 S558 M563 F564 E565 P571 P572 F573	E538-I561 WeakPolarHBondContact O-CG2 3.06Å; Y539-I561 HydrophobicContact CD1-CB 3.69Å; Y539-I561 HydrophobicContact CD1-CG1 4.46Å; Y539-I561 HydrophobicContact CD1-CG2 3.54Å; Y539-I561 HydrophobicContact CD2-CG2 4Å; Y539-I561 HydrophobicContact CE1-CB 3.73Å; Y539-I561 HydrophobicContact CE1-CG2 3.48Å; Y539-I561 VanDerWaalsContact CE1-CG2 3.48Å; Y539-I561 HydrophobicContact CE2-CG2 3.89Å; Y539-I561 HydrophobicContact CG-CB 4.35Å; Y539-I561 HydrophobicContact CG-CG2 3.83Å; W557-I561 HydrophobicContact CZ2-CD1 4.32Å; W557-I561 WeakPolarHBondContact O-CG1 3.23Å; W557-I561 PolarHBondContact O-N 3.4Å; W557-I561 VanDerWaalsContact O-N 3.16Å; S558-I561 WeakPolarHBondContact O-CB 3.43Å; S558-I561 PolarHBondContact O-N 3.44Å; I561-M563 PolarHBondContact O-N 3.44Å; I561-F564 PolarHBondContact O-N 3.24Å; I561-E565 PolarHBondContact O-N 3.34Å; I561-P571 HydrophobicContact CG2-CB 4.04Å; I561-P572 HydrophobicContact CD1-CG 3.68Å; I561-F573 HydrophobicContact CD1-CD2 3.59Å; I561-F573 HydrophobicContact CD1-CE2 3.49Å; I561-F573 VanDerWaalsContact CD1-CE2 3.49Å
562	L	98.8	Very high	97.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57	-48.6	177.8	178.7	70.1	0	0	0	110.9	V483 L500 P502 L505 Y539 S558 L559 F564 E565 L566	V483-L562 HydrophobicContact CG2-CD2 3.94Å; L500-L562 HydrophobicContact CD1-CD2 4.12Å; L500-L562 HydrophobicContact CD2-CB 4.04Å; L500-L562 HydrophobicContact CD2-CD2 3.85Å; L500-L562 HydrophobicContact CG-CB 4.49Å; L500-L562 HydrophobicContact CG-CD2 4.12Å; P502-L562 HydrophobicContact CG-CD1 3.78Å; L505-L562 HydrophobicContact CD1-CD1 4.02Å; L505-L562 HydrophobicContact CD1-CD2 3.8Å; Y539-L562 HydrophobicContact CE1-CB 4.1Å; S558-L562 WeakPolarHBondContact O-CB 3.42Å; S558-L562 PolarHBondContact O-N 2.79Å; L559-L562 PolarHBondContact O-N 3.44Å; L562-F564 VanDerWaalsContact C-N 3.32Å; L562-F564 PolarHBondContact O-N 3.32Å; L562-E565 PolarHBondContact O-N 2.76Å; L562-L566 HydrophobicContact CD1-CD1 4.11Å; L562-L566 HydrophobicContact CD1-CD2 4.3Å; L562-L566 HydrophobicContact CD1-CG 4.02Å; L562-L566 HydrophobicContact CD2-CD1 4.35Å; L562-L566 HydrophobicContact CG-CD1 3.88Å; L562-L566 HydrophobicContact CG-CG 4.14Å; L562-L566 WeakPolarHBondContact O-CB 3.48Å; L562-L566 VanDerWaalsContact O-CG 3.25Å; L562-L566 WeakPolarHBondContact O-CG 3.18Å; L562-L566 PolarHBondContact O-N 3.16Å
563	M	98.8	Very high	97.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.5	-45.6	178.6	-76.8	-177.3	61.5	0	0	112.3	T480 L559 G560 I561 L567 L605 I606 L609 W633	T480-M563 HydrophobicContact CG2-CG 3.65Å; T480-M563 HydrophobicContact CG2-SD 3.83Å; L559-M563 WeakPolarHBondContact O-CG 3.33Å; L559-M563 PolarHBondContact O-N 3.06Å; G560-M563 PolarHBondContact O-N 3.1Å; I561-M563 PolarHBondContact O-N 3.44Å; M563-L567 WeakPolarHBondContact O-CB 3.36Å; M563-L567 WeakPolarHBondContact O-CD1 3.46Å; M563-L567 VanDerWaalsContact O-CG 3.28Å; M563-L567 WeakPolarHBondContact O-CG 3.32Å; M563-L567 PolarHBondContact O-N 2.93Å; M563-L567 VanDerWaalsContact O-N 3.12Å; M563-L605 HydrophobicContact CE-CB 4.16Å; M563-L605 HydrophobicContact CE-CD2 3.77Å; M563-L605 HydrophobicContact CE-CG 3.98Å; M563-L605 HydrophobicContact SD-CD2 3.88Å; M563-L605 HydrophobicContact SD-CG 3.95Å; M563-I606 HydrophobicContact CB-CD1 4.15Å; M563-I606 HydrophobicContact CB-CG1 3.84Å; M563-I606 HydrophobicContact CE-CG1 4.02Å; M563-I606 HydrophobicContact SD-CG1 4.4Å; M563-L609 HydrophobicContact SD-CD1 3.66Å; M563-W633 HydrophobicContact CE-CD2 3.92Å; M563-W633 HydrophobicContact CE-CE3 3.73Å; M563-W633 HydrophobicContact CE-CH2 3.5Å; M563-W633 HydrophobicContact CE-CZ2 3.81Å; M563-W633 HydrophobicContact CE-CZ3 3.49Å; M563-W633 VanDerWaalsContact CE-CZ3 3.49Å; M563-W633 HydrophobicContact CG-CH2 4.45Å; M563-W633 HydrophobicContact SD-CH2 4.31Å; M563-W633 HydrophobicContact SD-CZ3 4.05Å
564	F	98.7	Very high	97.4	Very high	12 Å²	12	10.4 Å²	10.4	5%	0.053	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-44.9	177.4	-172.4	-75.7	0	0	0	110.7	G560 I561 L562 L567 T568 S570 P572 I592 F594 I598 I606	G560-F564 PolarHBondContact O-N 3.15Å; G560-F564 VanDerWaalsContact O-N 3.11Å; I561-F564 PolarHBondContact O-N 3.24Å; L562-F564 VanDerWaalsContact C-N 3.32Å; L562-F564 PolarHBondContact O-N 3.32Å; F564-L567 PolarHBondContact O-N 2.97Å; F564-T568 HydrophobicContact CD1-CG2 4.01Å; F564-T568 WeakPolarHBondContact CD1-OG1 3.47Å; F564-T568 HydrophobicContact CE1-CG2 3.79Å; F564-T568 WeakPolarHBondContact CE1-OG1 3.49Å; F564-T568 HydrophobicContact CG-CG2 4.49Å; F564-T568 HydrophobicContact CZ-CG2 4.1Å; F564-T568 WeakPolarHBondContact O-CB 3.49Å; F564-T568 VanDerWaalsContact O-CG2 3.28Å; F564-T568 WeakPolarHBondContact O-CG2 3.5Å; F564-T568 PolarHBondContact O-N 2.64Å; F564-T568 PolarHBondContact O-OG1 3.04Å; F564-S570 VanDerWaalsContact CD1-O 3.32Å; F564-S570 WeakPolarHBondContact CD1-O 3.4Å; F564-P572 HydrophobicContact CB-CB 4.43Å; F564-P572 HydrophobicContact CB-CG 4.09Å; F564-P572 HydrophobicContact CD1-CB 3.69Å; F564-P572 HydrophobicContact CD1-CG 4.04Å; F564-P572 HydrophobicContact CD2-CB 3.84Å; F564-P572 HydrophobicContact CD2-CG 4.38Å; F564-P572 HydrophobicContact CE1-CB 3.8Å; F564-P572 HydrophobicContact CE2-CB 3.93Å; F564-P572 HydrophobicContact CG-CB 3.73Å; F564-P572 HydrophobicContact CG-CG 3.92Å; F564-P572 HydrophobicContact CZ-CB 3.91Å; F564-I592 HydrophobicContact CE2-CG2 4.23Å; F564-I592 HydrophobicContact CZ-CG2 4.36Å; F564-F594 HydrophobicContact CD2-CD1 4.34Å; F564-F594 AromaticContact CD2-CE1 3.97Å; F564-F594 HydrophobicContact CD2-CE1 3.97Å; F564-F594 HydrophobicContact CD2-CZ 4.29Å; F564-F594 HydrophobicContact CE2-CD1 4.2Å; F564-F594 HydrophobicContact CE2-CE1 4.2Å; F564-F594 HydrophobicContact CE2-CG 4.43Å; F564-F594 HydrophobicContact CE2-CZ 4.43Å; F564-I598 HydrophobicContact CD2-CD1 3.54Å; F564-I598 HydrophobicContact CE2-CD1 3.5Å; F564-I598 VanDerWaalsContact CE2-CD1 3.5Å; F564-I598 HydrophobicContact CG-CD1 4.27Å; F564-I598 HydrophobicContact CZ-CD1 4.19Å; F564-I606 HydrophobicContact CB-CD1 4.08Å; F564-I606 HydrophobicContact CB-CG2 4.47Å; F564-I606 HydrophobicContact CD2-CD1 4.39Å
565	E	98.2	Very high	96.9	Very high	8 Å²	8	11.2 Å²	11.2	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-43.9	179.5	-176.2	170.7	163.8	0	0	112.2	R74 L465 Y539 I561 L562 L567 T568 G569 S570	R74-E565 IonicContact CZ-OE1 3.72Å; R74-E565 IonicContact CZ-OE2 3.86Å; R74-E565 IonicContact NH1-OE1 3.17Å; R74-E565 PolarHBondContact NH1-OE1 2.69Å; R74-E565 IonicContact NH1-OE2 2.68Å; R74-E565 PolarHBondContact NH1-OE2 3Å; R74-E565 VanDerWaalsContact NH2-CD 3.33Å; R74-E565 IonicContact NH2-OE1 2.8Å; R74-E565 PolarHBondContact NH2-OE1 3.45Å; R74-E565 IonicContact NH2-OE2 3.32Å; R74-E565 PolarHBondContact NH2-OE2 3.39Å; R74-E565 VanDerWaalsContact NH2-OE2 3.13Å; L465-E565 HydrophobicContact CD2-CG 4.05Å; Y539-E565 WeakPolarHBondContact CE2-OE2 3.34Å; Y539-E565 VanDerWaalsContact CZ-OE2 3.29Å; Y539-E565 PolarHBondContact OH-OE2 3.45Å; I561-E565 PolarHBondContact O-N 3.34Å; L562-E565 PolarHBondContact O-N 2.76Å; E565-L567 VanDerWaalsContact C-N 3.29Å; E565-L567 PolarHBondContact O-N 2.83Å; E565-T568 PolarHBondContact O-N 3.18Å; E565-T568 VanDerWaalsContact O-N 3.15Å; E565-G569 VanDerWaalsContact O-CA 3.32Å; E565-G569 WeakPolarHBondContact O-CA 3.39Å; E565-G569 PolarHBondContact O-N 3.14Å; E565-S570 WeakPolarHBondContact CA-O 3.47Å
566	L	98.6	Very high	95.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-39.9	176.7	-66.5	178.3	0	0	0	111.3	L461 L465 F471 T476 P502 L562 T568	L461-L566 HydrophobicContact CD2-CD2 4Å; L465-L566 HydrophobicContact CD1-CD2 4.32Å; L465-L566 HydrophobicContact CD2-CD2 4.14Å; F471-L566 HydrophobicContact CD2-CB 4.21Å; F471-L566 HydrophobicContact CD2-CD2 3.79Å; F471-L566 HydrophobicContact CD2-CG 4.46Å; F471-L566 HydrophobicContact CE2-CD2 3.71Å; F471-L566 PolarHBondContact N-O 3.48Å; T476-L566 HydrophobicContact CG2-CB 3.7Å; T476-L566 HydrophobicContact CG2-CD1 3.99Å; T476-L566 HydrophobicContact CG2-CG 4.5Å; P502-L566 HydrophobicContact CG-CD2 4.47Å; L562-L566 HydrophobicContact CD1-CD1 4.11Å; L562-L566 HydrophobicContact CD1-CD2 4.3Å; L562-L566 HydrophobicContact CD1-CG 4.02Å; L562-L566 HydrophobicContact CD2-CD1 4.35Å; L562-L566 HydrophobicContact CG-CD1 3.88Å; L562-L566 HydrophobicContact CG-CG 4.14Å; L562-L566 WeakPolarHBondContact O-CB 3.48Å; L562-L566 VanDerWaalsContact O-CG 3.25Å; L562-L566 WeakPolarHBondContact O-CG 3.18Å; L562-L566 PolarHBondContact O-N 3.16Å; L566-T568 VanDerWaalsContact C-N 3.34Å; L566-T568 PolarHBondContact O-N 3.39Å
567	L	98.5	Very high	94.7	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-74.9	-21.1	178.2	-70	168.5	0	0	0	113.8	D473 T476 M563 F564 E565 K597 I598 A602 I606	D473-L567 HydrophobicContact CB-CD2 4.48Å; T476-L567 HydrophobicContact CG2-CD2 4.26Å; T476-L567 HydrophobicContact CG2-CG 3.99Å; M563-L567 WeakPolarHBondContact O-CB 3.36Å; M563-L567 WeakPolarHBondContact O-CD1 3.46Å; M563-L567 VanDerWaalsContact O-CG 3.28Å; M563-L567 WeakPolarHBondContact O-CG 3.32Å; M563-L567 PolarHBondContact O-N 2.93Å; M563-L567 VanDerWaalsContact O-N 3.12Å; F564-L567 PolarHBondContact O-N 2.97Å; E565-L567 VanDerWaalsContact C-N 3.29Å; E565-L567 PolarHBondContact O-N 2.83Å; L567-K597 WeakPolarHBondContact O-CD 3.48Å; L567-I598 HydrophobicContact CB-CG1 4.23Å; L567-I598 HydrophobicContact CD1-CG1 4.36Å; L567-I598 HydrophobicContact CD1-CG2 4.06Å; L567-A602 HydrophobicContact CD1-CB 3.85Å; L567-I606 HydrophobicContact CD1-CD1 4.31Å
568	T	97.1	Very high	93.7	Very high	17 Å²	17	23.3 Å²	23.3	10%	0.104	15%	0.152	C	C	.	.	H	α-helix	trans	-122.6	-19.3	-169.4	70	0	0	0	0	116.4	F564 E565 L566 S570 P595 K597 I598	F564-T568 HydrophobicContact CD1-CG2 4.01Å; F564-T568 WeakPolarHBondContact CD1-OG1 3.47Å; F564-T568 HydrophobicContact CE1-CG2 3.79Å; F564-T568 WeakPolarHBondContact CE1-OG1 3.49Å; F564-T568 HydrophobicContact CG-CG2 4.49Å; F564-T568 HydrophobicContact CZ-CG2 4.1Å; F564-T568 WeakPolarHBondContact O-CB 3.49Å; F564-T568 VanDerWaalsContact O-CG2 3.28Å; F564-T568 WeakPolarHBondContact O-CG2 3.5Å; F564-T568 PolarHBondContact O-N 2.64Å; F564-T568 PolarHBondContact O-OG1 3.04Å; E565-T568 PolarHBondContact O-N 3.18Å; E565-T568 VanDerWaalsContact O-N 3.15Å; L566-T568 VanDerWaalsContact C-N 3.34Å; L566-T568 PolarHBondContact O-N 3.39Å; T568-S570 VanDerWaalsContact C-N 3.32Å; T568-S570 PolarHBondContact OG1-N 3.15Å; T568-S570 PolarHBondContact OG1-O 2.97Å; T568-P595 HydrophobicContact CG2-CG 4.25Å; T568-K597 VanDerWaalsContact CA-CE 3.46Å; T568-K597 VanDerWaalsContact CA-NZ 3.27Å; T568-K597 PolarHBondContact O-NZ 2.89Å; T568-I598 HydrophobicContact CG2-CD1 3.66Å; T568-I598 HydrophobicContact CG2-CG1 3.89Å
569	G	95.8	Very high	92.6	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	86.3	-6.1	-172.9	0	0	0	0	0	114.6	R71 G469 E565	R71-G569 PolarHBondContact NH1-O 3.49Å; R71-G569 PolarHBondContact NH2-O 3.34Å; G469-G569 WeakPolarHBondContact O-CA 3.46Å; E565-G569 VanDerWaalsContact O-CA 3.32Å; E565-G569 WeakPolarHBondContact O-CA 3.39Å; E565-G569 PolarHBondContact O-N 3.14Å
570	S	94.5	Very high	91.8	Very high	52 Å²	52	28.8 Å²	28.8	36%	0.364	18%	0.176	S	C	.	.	S	Bend	trans	-146.8	147.2	-177.7	-63.4	0	0	0	0	110.8	F564 E565 T568	F564-S570 VanDerWaalsContact CD1-O 3.32Å; F564-S570 WeakPolarHBondContact CD1-O 3.4Å; E565-S570 WeakPolarHBondContact CA-O 3.47Å; T568-S570 VanDerWaalsContact C-N 3.32Å; T568-S570 PolarHBondContact OG1-N 3.15Å; T568-S570 PolarHBondContact OG1-O 2.97Å
571	P	96.4	Very high	91.3	Very high	18 Å²	18	28.8 Å²	28.8	12%	0.117	18%	0.176	C	C	.	.			trans	-64.6	155.1	176.3	26.8	-33.1	0	0	0	111.5	E538 I561 F573	E538-P571 HydrophobicContact CB-CB 3.86Å; E538-P571 HydrophobicContact CB-CG 3.74Å; E538-P571 HydrophobicContact CG-CB 4.45Å; E538-P571 HydrophobicContact CG-CG 3.79Å; I561-P571 HydrophobicContact CG2-CB 4.04Å; P571-F573 VanDerWaalsContact C-N 3.3Å; P571-F573 PolarHBondContact O-N 3.3Å
572	P	96.7	Very high	90.8	Very high	15 Å²	15	28.9 Å²	28.9	10%	0.097	18%	0.176	C	C	.	.	S	Bend	trans	-69.4	-28.3	-179.2	26.2	-30.6	0	0	0	112.8	I561 F564 I589 I592	I561-P572 HydrophobicContact CD1-CG 3.68Å; F564-P572 HydrophobicContact CB-CB 4.43Å; F564-P572 HydrophobicContact CB-CG 4.09Å; F564-P572 HydrophobicContact CD1-CB 3.69Å; F564-P572 HydrophobicContact CD1-CG 4.04Å; F564-P572 HydrophobicContact CD2-CB 3.84Å; F564-P572 HydrophobicContact CD2-CG 4.38Å; F564-P572 HydrophobicContact CE1-CB 3.8Å; F564-P572 HydrophobicContact CE2-CB 3.93Å; F564-P572 HydrophobicContact CG-CB 3.73Å; F564-P572 HydrophobicContact CG-CG 3.92Å; F564-P572 HydrophobicContact CZ-CB 3.91Å; P572-I589 HydrophobicContact CB-CD1 4.27Å; P572-I589 HydrophobicContact CG-CD1 4.47Å; P572-I592 HydrophobicContact CB-CG2 4.06Å
573	F	95.7	Very high	90.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-111.4	109.8	179.4	-50.1	-71.3	0	0	0	109.2	E538 W557 I561 P571 I584 I585 I589 I592	E538-F573 WeakPolarHBondContact CG-O 3.33Å; W557-F573 AromaticContact CH2-CE2 3.86Å; W557-F573 HydrophobicContact CH2-CE2 3.86Å; W557-F573 AromaticContact CH2-CZ 3.95Å; W557-F573 HydrophobicContact CH2-CZ 3.95Å; W557-F573 HydrophobicContact CZ2-CD2 4.05Å; W557-F573 AromaticContact CZ2-CE2 3.4Å; W557-F573 HydrophobicContact CZ2-CE2 3.4Å; W557-F573 AromaticContact CZ2-CZ 3.95Å; W557-F573 HydrophobicContact CZ2-CZ 3.95Å; I561-F573 HydrophobicContact CD1-CD2 3.59Å; I561-F573 HydrophobicContact CD1-CE2 3.49Å; I561-F573 VanDerWaalsContact CD1-CE2 3.49Å; P571-F573 VanDerWaalsContact C-N 3.3Å; P571-F573 PolarHBondContact O-N 3.3Å; F573-I584 HydrophobicContact CB-CG2 4.5Å; F573-I584 HydrophobicContact CD1-CB 4.49Å; F573-I584 HydrophobicContact CD1-CG2 3.75Å; F573-I585 HydrophobicContact CB-CD1 4.37Å; F573-I585 HydrophobicContact CB-CG1 3.58Å; F573-I585 HydrophobicContact CD1-CG1 4.26Å; F573-I585 HydrophobicContact CD2-CG1 3.88Å; F573-I585 HydrophobicContact CG-CG1 3.66Å; F573-I589 HydrophobicContact CE1-CD1 4.44Å; F573-I589 HydrophobicContact CE2-CD1 4.11Å; F573-I589 HydrophobicContact CZ-CB 4.06Å; F573-I589 HydrophobicContact CZ-CD1 3.67Å; F573-I589 HydrophobicContact CZ-CG1 4.47Å; F573-I592 HydrophobicContact CD1-CD1 3.73Å; F573-I592 HydrophobicContact CD1-CG1 3.91Å; F573-I592 HydrophobicContact CE1-CD1 3.73Å; F573-I592 HydrophobicContact CE1-CG1 3.42Å; F573-I592 VanDerWaalsContact CE1-CG1 3.42Å; F573-I592 HydrophobicContact CZ-CG1 4.12Å
574	S	90.3	Very high	89.7	Confident	73 Å²	73	31.9 Å²	31.9	51%	0.51	19%	0.192	S	C	.	.			trans	-147.7	128.3	177.8	-166.5	0	0	0	0	110.2	I584	S574-I584 WeakPolarHBondContact O-CD1 3.42Å
575	G	86.4	Confident	89.4	Confident	19 Å²	19	31.3 Å²	31.3	20%	0.196	19%	0.19	C	C	.	.			trans	-119.8	173	172.2	0	0	0	0	0	112.1	D577 T581	G575-D577 PolarHBondContact O-N 3.49Å; G575-T581 PolarHBondContact N-OG1 3.39Å
576	P	76.8	Confident	89.1	Confident	126 Å²	126	32.7 Å²	32.7	82%	0.818	20%	0.197	S	C	*	.	S	Bend	trans	-67.4	-17.7	175.1	28.7	-36.9	0	0	0	113.4	K580	P576-K580 HydrophobicContact CG-CB 4.24Å; P576-K580 HydrophobicContact CG-CG 4.08Å
577	D	73.6	Confident	88.7	Confident	67 Å²	67	41.3 Å²	41.3	36%	0.358	23%	0.23	S	C	.	.	S	Bend	trans	-147.3	160.4	176.6	65.2	75.4	0	0	0	109.8	G575 M579 K580 T581	G575-D577 PolarHBondContact O-N 3.49Å; D577-M579 PolarHBondContact O-N 2.66Å; D577-M579 VanDerWaalsContact O-N 3.16Å; D577-M579 WeakPolarHBondContact OD1-CA 3.4Å; D577-M579 VanDerWaalsContact OD1-CB 3.24Å; D577-M579 WeakPolarHBondContact OD1-CB 3.37Å; D577-M579 PolarHBondContact OD1-N 3.45Å; D577-K580 PolarHBondContact O-N 3.15Å; D577-K580 VanDerWaalsContact O-N 3.14Å; D577-K580 PolarHBondContact OD1-N 2.94Å; D577-K580 VanDerWaalsContact OD2-CG 3.32Å; D577-K580 WeakPolarHBondContact OD2-CG 3.43Å; D577-T581 PolarHBondContact O-N 3.03Å; D577-T581 PolarHBondContact O-OG1 3.29Å
578	P	78.8	Confident	88.4	Confident	67 Å²	67	41.1 Å²	41.1	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-54.7	-34.6	-178.1	-29	36.1	0	0	0	114.2	P537 T581 Y582	P537-P578 HydrophobicContact CB-CB 4.33Å; P537-P578 HydrophobicContact CG-CB 4.38Å; P537-P578 HydrophobicContact CG-CG 4.5Å; P578-T581 WeakPolarHBondContact O-CB 3.41Å; P578-T581 PolarHBondContact O-N 2.92Å; P578-Y582 HydrophobicContact CB-CE2 3.94Å; P578-Y582 WeakPolarHBondContact O-CD2 3.4Å; P578-Y582 PolarHBondContact O-N 3.2Å
579	M	75.6	Confident	88.4	Confident	25 Å²	25	40.5 Å²	40.5	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-69.3	-41.5	-178.9	-170.8	64	-126.4	0	0	111.4	F116 L182 Y186 D577 T581 Y582 N583	F116-M579 HydrophobicContact CB-CE 3.64Å; F116-M579 HydrophobicContact CD2-CE 3.93Å; F116-M579 HydrophobicContact CG-CE 4.08Å; L182-M579 HydrophobicContact CD2-CB 3.86Å; L182-M579 HydrophobicContact CD2-CG 3.7Å; L182-M579 HydrophobicContact CD2-SD 3.41Å; L182-M579 WeakPolarHBondContact CD2-SD 3.16Å; Y186-M579 HydrophobicContact CE2-SD 4.23Å; D577-M579 PolarHBondContact O-N 2.66Å; D577-M579 VanDerWaalsContact O-N 3.16Å; D577-M579 WeakPolarHBondContact OD1-CA 3.4Å; D577-M579 VanDerWaalsContact OD1-CB 3.24Å; D577-M579 WeakPolarHBondContact OD1-CB 3.37Å; D577-M579 PolarHBondContact OD1-N 3.45Å; M579-T581 VanDerWaalsContact C-N 3.3Å; M579-Y582 PolarHBondContact O-N 3.29Å; M579-Y582 HydrophobicContact SD-CD2 4.38Å; M579-N583 WeakPolarHBondContact CE-OD1 3.38Å; M579-N583 PolarHBondContact O-N 3.03Å; M579-N583 PolarHBondContact O-ND2 3.27Å
580	K	82.2	Confident	88.3	Confident	96 Å²	96	44.3 Å²	44.3	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-39.3	171.8	-67.1	-62.6	-179.6	-168.2	0	111.1	D115 P576 D577 N583 I584	D115-K580 IonicContact OD2-NZ 2.95Å; P576-K580 HydrophobicContact CG-CB 4.24Å; P576-K580 HydrophobicContact CG-CG 4.08Å; D577-K580 PolarHBondContact O-N 3.15Å; D577-K580 VanDerWaalsContact O-N 3.14Å; D577-K580 PolarHBondContact OD1-N 2.94Å; D577-K580 VanDerWaalsContact OD2-CG 3.32Å; D577-K580 WeakPolarHBondContact OD2-CG 3.43Å; K580-N583 PolarHBondContact O-N 3.2Å; K580-I584 WeakPolarHBondContact O-CD1 3.36Å; K580-I584 VanDerWaalsContact O-CG1 3.22Å; K580-I584 WeakPolarHBondContact O-CG1 3.4Å; K580-I584 PolarHBondContact O-N 3.21Å; K580-I584 VanDerWaalsContact O-N 3.11Å
581	T	88.4	Confident	88.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-49.9	172.4	-60	0	0	0	0	111.5	E538 G575 D577 P578 M579 N583 I584 I585	E538-T581 HydrophobicContact CB-CG2 4.49Å; E538-T581 HydrophobicContact CG-CG2 4.12Å; G575-T581 PolarHBondContact N-OG1 3.39Å; D577-T581 PolarHBondContact O-N 3.03Å; D577-T581 PolarHBondContact O-OG1 3.29Å; P578-T581 WeakPolarHBondContact O-CB 3.41Å; P578-T581 PolarHBondContact O-N 2.92Å; M579-T581 VanDerWaalsContact C-N 3.3Å; T581-N583 VanDerWaalsContact C-N 3.35Å; T581-N583 PolarHBondContact O-N 3.42Å; T581-I584 PolarHBondContact O-N 3.23Å; T581-I584 VanDerWaalsContact O-N 3.09Å; T581-I585 HydrophobicContact CG2-CD1 3.96Å; T581-I585 WeakPolarHBondContact O-CG1 3.43Å; T581-I585 PolarHBondContact O-N 2.83Å
582	Y	86.3	Confident	88.1	Confident	1 Å²	1	49 Å²	49	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-42.2	178.1	-59.2	-32.8	0	0	0	112.8	I77 Y186 F533 P537 I545 P578 M579 I584 I585 L586	I77-Y582 WeakPolarHBondContact CD1-OH 3.15Å; Y186-Y582 HydrophobicContact CD1-CE2 4.17Å; Y186-Y582 HydrophobicContact CD2-CD2 4.43Å; Y186-Y582 AromaticContact CD2-CE2 3.83Å; Y186-Y582 HydrophobicContact CD2-CE2 3.83Å; Y186-Y582 HydrophobicContact CE1-CD2 4.08Å; Y186-Y582 AromaticContact CE1-CE2 3.81Å; Y186-Y582 HydrophobicContact CE1-CE2 3.81Å; Y186-Y582 AromaticContact CE2-CD2 3.6Å; Y186-Y582 HydrophobicContact CE2-CD2 3.6Å; Y186-Y582 AromaticContact CE2-CE2 3.45Å; Y186-Y582 HydrophobicContact CE2-CE2 3.45Å; Y186-Y582 VanDerWaalsContact CE2-CE2 3.45Å; Y186-Y582 HydrophobicContact CG-CE2 4.16Å; Y186-Y582 AromaticContact CZ-CD2 3.37Å; Y186-Y582 AromaticContact CZ-CE2 3.42Å; Y186-Y582 VanDerWaalsContact CZ-CE2 3.42Å; Y186-Y582 VanDerWaalsContact OH-CD2 3.27Å; Y186-Y582 WeakPolarHBondContact OH-CD2 3.37Å; F533-Y582 HydrophobicContact CZ-CE1 4.31Å; F533-Y582 HydrophobicContact CZ-CE2 4.38Å; F533-Y582 AromaticContact CZ-CZ 3.88Å; P537-Y582 HydrophobicContact CB-CE1 3.92Å; I545-Y582 HydrophobicContact CD1-CD1 3.62Å; I545-Y582 HydrophobicContact CD1-CG 4.09Å; I545-Y582 HydrophobicContact CG1-CD1 4.05Å; I545-Y582 HydrophobicContact CG1-CG 4.49Å; I545-Y582 HydrophobicContact CG2-CD1 4.42Å; I545-Y582 HydrophobicContact CG2-CG 4.03Å; P578-Y582 HydrophobicContact CB-CE2 3.94Å; P578-Y582 WeakPolarHBondContact O-CD2 3.4Å; P578-Y582 PolarHBondContact O-N 3.2Å; M579-Y582 PolarHBondContact O-N 3.29Å; M579-Y582 HydrophobicContact SD-CD2 4.38Å; Y582-I584 VanDerWaalsContact C-N 3.27Å; Y582-I584 PolarHBondContact O-N 3.38Å; Y582-I585 HydrophobicContact CD1-CD1 4.25Å; Y582-I585 WeakPolarHBondContact O-CB 3.5Å; Y582-I585 PolarHBondContact O-N 3.19Å; Y582-I585 VanDerWaalsContact O-N 3.16Å; Y582-L586 VanDerWaalsContact O-CG 3.31Å; Y582-L586 WeakPolarHBondContact O-CG 3.29Å; Y582-L586 PolarHBondContact O-N 3.44Å
583	N	84.2	Confident	88	Confident	20 Å²	20	56.8 Å²	56.8	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-32.1	176.6	-75.3	-27	0	0	0	113	M579 K580 T581 R587	M579-N583 WeakPolarHBondContact CE-OD1 3.38Å; M579-N583 PolarHBondContact O-N 3.03Å; M579-N583 PolarHBondContact O-ND2 3.27Å; K580-N583 PolarHBondContact O-N 3.2Å; T581-N583 VanDerWaalsContact C-N 3.35Å; T581-N583 PolarHBondContact O-N 3.42Å; N583-R587 WeakPolarHBondContact O-CG 3.39Å; N583-R587 PolarHBondContact O-N 3.19Å
584	I	90.9	Very high	88.1	Confident	44 Å²	44	58.7 Å²	58.7	23%	0.226	31%	0.305	C	S	.	.	H	α-helix	trans	-73.6	-41.5	174.3	-56.8	161.6	0	0	0	109.5	F573 S574 K580 T581 Y582 L586 R587 I592	F573-I584 HydrophobicContact CB-CG2 4.5Å; F573-I584 HydrophobicContact CD1-CB 4.49Å; F573-I584 HydrophobicContact CD1-CG2 3.75Å; S574-I584 WeakPolarHBondContact O-CD1 3.42Å; K580-I584 WeakPolarHBondContact O-CD1 3.36Å; K580-I584 VanDerWaalsContact O-CG1 3.22Å; K580-I584 WeakPolarHBondContact O-CG1 3.4Å; K580-I584 PolarHBondContact O-N 3.21Å; K580-I584 VanDerWaalsContact O-N 3.11Å; T581-I584 PolarHBondContact O-N 3.23Å; T581-I584 VanDerWaalsContact O-N 3.09Å; Y582-I584 VanDerWaalsContact C-N 3.27Å; Y582-I584 PolarHBondContact O-N 3.38Å; I584-L586 VanDerWaalsContact C-N 3.32Å; I584-L586 PolarHBondContact O-N 3.2Å; I584-R587 WeakPolarHBondContact O-CB 2.75Å; I584-R587 PolarHBondContact O-N 3.32Å; I584-R587 VanDerWaalsContact O-N 3.12Å; I584-I592 HydrophobicContact CG2-CD1 3.97Å
585	I	93.4	Very high	88.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-47.4	174.6	-69.9	165.9	0	0	0	110.8	P537 P542 I545 W557 F573 T581 Y582 R587 G588	P537-I585 WeakPolarHBondContact O-CD1 3.42Å; P542-I585 HydrophobicContact CB-CG2 4.45Å; P542-I585 HydrophobicContact CG-CG2 3.82Å; I545-I585 HydrophobicContact CD1-CB 3.86Å; I545-I585 HydrophobicContact CD1-CD1 3.94Å; I545-I585 HydrophobicContact CD1-CG2 3.51Å; W557-I585 HydrophobicContact CH2-CG2 4.21Å; W557-I585 HydrophobicContact CZ2-CG2 3.72Å; F573-I585 HydrophobicContact CB-CD1 4.37Å; F573-I585 HydrophobicContact CB-CG1 3.58Å; F573-I585 HydrophobicContact CD1-CG1 4.26Å; F573-I585 HydrophobicContact CD2-CG1 3.88Å; F573-I585 HydrophobicContact CG-CG1 3.66Å; T581-I585 HydrophobicContact CG2-CD1 3.96Å; T581-I585 WeakPolarHBondContact O-CG1 3.43Å; T581-I585 PolarHBondContact O-N 2.83Å; Y582-I585 HydrophobicContact CD1-CD1 4.25Å; Y582-I585 WeakPolarHBondContact O-CB 3.5Å; Y582-I585 PolarHBondContact O-N 3.19Å; Y582-I585 VanDerWaalsContact O-N 3.16Å; I585-R587 PolarHBondContact O-N 3.41Å; I585-G588 PolarHBondContact O-N 3.36Å
586	L	90	Very high	88.6	Confident	36 Å²	36	67.1 Å²	67.1	19%	0.188	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.3	-179.4	-65.6	178.5	0	0	0	114.3	F116 P542 I545 L546 Y582 I584 G588	F116-L586 HydrophobicContact CD2-CD1 4.01Å; F116-L586 HydrophobicContact CE2-CD1 4.14Å; P542-L586 HydrophobicContact CB-CD2 4.17Å; I545-L586 HydrophobicContact CB-CD2 4.42Å; I545-L586 HydrophobicContact CG2-CD1 4.37Å; L546-L586 HydrophobicContact CD1-CD2 3.95Å; L546-L586 HydrophobicContact CD2-CD1 4.12Å; L546-L586 HydrophobicContact CD2-CD2 3.87Å; L546-L586 HydrophobicContact CG-CD2 3.7Å; Y582-L586 VanDerWaalsContact O-CG 3.31Å; Y582-L586 WeakPolarHBondContact O-CG 3.29Å; Y582-L586 PolarHBondContact O-N 3.44Å; I584-L586 VanDerWaalsContact C-N 3.32Å; I584-L586 PolarHBondContact O-N 3.2Å; L586-G588 VanDerWaalsContact C-N 3.29Å
587	R	90.6	Very high	89.4	Confident	182 Å²	182	66.5 Å²	66.5	69%	0.687	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.9	170.9	-71.4	173.2	-176.3	-174.6	0.2	112.9	N583 I584 I585 M591	N583-R587 WeakPolarHBondContact O-CG 3.39Å; N583-R587 PolarHBondContact O-N 3.19Å; I584-R587 WeakPolarHBondContact O-CB 2.75Å; I584-R587 PolarHBondContact O-N 3.32Å; I584-R587 VanDerWaalsContact O-N 3.12Å; I585-R587 PolarHBondContact O-N 3.41Å; R587-M591 HydrophobicContact CB-CB 4.39Å; R587-M591 HydrophobicContact CB-CG 4.19Å; R587-M591 WeakPolarHBondContact O-CG 3.49Å
588	G	93.1	Very high	90.6	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.021	30%	0.303	C	S	.	.			trans	83.4	158.1	176.6	0	0	0	0	0	114.5	I585 L586 D590 M591 D612	I585-G588 PolarHBondContact O-N 3.36Å; L586-G588 VanDerWaalsContact C-N 3.29Å; G588-D590 PolarHBondContact O-N 3.45Å; G588-M591 PolarHBondContact O-N 3.04Å; G588-D612 WeakPolarHBondContact CA-OD1 3.5Å
589	I	96.3	Very high	91.5	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.015	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.4	-178	-167.5	60.8	0	0	0	113.3	P572 F573 M591 I592 F594 I606 K607 C610	P572-I589 HydrophobicContact CB-CD1 4.27Å; P572-I589 HydrophobicContact CG-CD1 4.47Å; F573-I589 HydrophobicContact CE1-CD1 4.44Å; F573-I589 HydrophobicContact CE2-CD1 4.11Å; F573-I589 HydrophobicContact CZ-CB 4.06Å; F573-I589 HydrophobicContact CZ-CD1 3.67Å; F573-I589 HydrophobicContact CZ-CG1 4.47Å; I589-M591 PolarHBondContact O-N 3.25Å; I589-I592 HydrophobicContact CD1-CB 4.21Å; I589-I592 HydrophobicContact CD1-CG1 4.11Å; I589-I592 WeakPolarHBondContact O-CB 3.37Å; I589-I592 PolarHBondContact O-N 2.72Å; I589-I592 VanDerWaalsContact O-N 3.11Å; I589-F594 HydrophobicContact CD1-CE2 4.15Å; I589-F594 HydrophobicContact CD1-CZ 4Å; I589-F594 HydrophobicContact CG1-CE2 4.13Å; I589-F594 HydrophobicContact CG1-CZ 3.99Å; I589-I606 HydrophobicContact CD1-CG2 4.33Å; I589-I606 HydrophobicContact CG1-CG2 4.48Å; I589-K607 HydrophobicContact CG1-CG 4.33Å; I589-K607 HydrophobicContact CG2-CB 4.5Å; I589-K607 HydrophobicContact CG2-CG 4.34Å; I589-C610 HydrophobicContact CB-CB 3.78Å; I589-C610 HydrophobicContact CD1-CB 4.35Å; I589-C610 HydrophobicContact CG1-CB 3.91Å; I589-C610 HydrophobicContact CG2-CB 4.02Å; I589-C610 WeakPolarHBondContact CG2-O 3.34Å
590	D	93.6	Very high	92.5	Very high	83 Å²	83	71.3 Å²	71.3	44%	0.444	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-72.1	-16.6	-179.4	-78.2	-37.6	0	0	0	113.4	G588 I592 K607 R611	G588-D590 PolarHBondContact O-N 3.45Å; D590-I592 VanDerWaalsContact C-N 3.33Å; D590-K607 IonicContact OD1-NZ 3.67Å; D590-K607 PolarHBondContact OD1-NZ 3.19Å; D590-R611 IonicContact OD2-NH1 3.85Å
591	M	92.6	Very high	93.3	Very high	140 Å²	140	70 Å²	70	69%	0.69	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-85.5	-5.4	171.4	-65.2	-61.7	118.2	0	0	113.3	R587 G588 I589	R587-M591 HydrophobicContact CB-CB 4.39Å; R587-M591 HydrophobicContact CB-CG 4.19Å; R587-M591 WeakPolarHBondContact O-CG 3.49Å; G588-M591 PolarHBondContact O-N 3.04Å; I589-M591 PolarHBondContact O-N 3.25Å
592	I	95.3	Very high	93.8	Very high	29 Å²	29	70 Å²	70	15%	0.149	33%	0.329	C	S	.	.	S	Bend	trans	-88.3	129.3	179.5	-57.5	-55.6	0	0	0	110.3	F564 P572 F573 I584 I589 D590 F594	F564-I592 HydrophobicContact CE2-CG2 4.23Å; F564-I592 HydrophobicContact CZ-CG2 4.36Å; P572-I592 HydrophobicContact CB-CG2 4.06Å; F573-I592 HydrophobicContact CD1-CD1 3.73Å; F573-I592 HydrophobicContact CD1-CG1 3.91Å; F573-I592 HydrophobicContact CE1-CD1 3.73Å; F573-I592 HydrophobicContact CE1-CG1 3.42Å; F573-I592 VanDerWaalsContact CE1-CG1 3.42Å; F573-I592 HydrophobicContact CZ-CG1 4.12Å; I584-I592 HydrophobicContact CG2-CD1 3.97Å; I589-I592 HydrophobicContact CD1-CB 4.21Å; I589-I592 HydrophobicContact CD1-CG1 4.11Å; I589-I592 WeakPolarHBondContact O-CB 3.37Å; I589-I592 PolarHBondContact O-N 2.72Å; I589-I592 VanDerWaalsContact O-N 3.11Å; D590-I592 VanDerWaalsContact C-N 3.33Å; I592-F594 HydrophobicContact CB-CE2 4.41Å; I592-F594 HydrophobicContact CG2-CE2 4.43Å; I592-F594 WeakPolarHBondContact O-CD2 3.39Å
593	E	94.4	Very high	94.3	Very high	179 Å²	179	70.7 Å²	70.7	84%	0.836	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-79	123.6	171.5	-170.5	178.1	177.4	0	0	110.3	P595	E593-P595 WeakPolarHBondContact O-CD 3.28Å
594	F	96.9	Very high	95	Very high	40 Å²	40	73.1 Å²	73.1	18%	0.175	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-87.1	120.1	180	-81.5	-115.3	0	0	0	110.3	F564 I589 I592 I598 A603 I606 K607	F564-F594 HydrophobicContact CD2-CD1 4.34Å; F564-F594 AromaticContact CD2-CE1 3.97Å; F564-F594 HydrophobicContact CD2-CE1 3.97Å; F564-F594 HydrophobicContact CD2-CZ 4.29Å; F564-F594 HydrophobicContact CE2-CD1 4.2Å; F564-F594 HydrophobicContact CE2-CE1 4.2Å; F564-F594 HydrophobicContact CE2-CG 4.43Å; F564-F594 HydrophobicContact CE2-CZ 4.43Å; I589-F594 HydrophobicContact CD1-CE2 4.15Å; I589-F594 HydrophobicContact CD1-CZ 4Å; I589-F594 HydrophobicContact CG1-CE2 4.13Å; I589-F594 HydrophobicContact CG1-CZ 3.99Å; I592-F594 HydrophobicContact CB-CE2 4.41Å; I592-F594 HydrophobicContact CG2-CE2 4.43Å; I592-F594 WeakPolarHBondContact O-CD2 3.39Å; F594-I598 HydrophobicContact CD1-CB 4.37Å; F594-I598 HydrophobicContact CD1-CD1 3.66Å; F594-I598 HydrophobicContact CD1-CG2 4.01Å; F594-I598 HydrophobicContact CE1-CD1 4.26Å; F594-I598 HydrophobicContact CG-CD1 4.41Å; F594-A603 HydrophobicContact CD1-CB 3.54Å; F594-A603 HydrophobicContact CE1-CB 3.9Å; F594-A603 HydrophobicContact CG-CB 4.28Å; F594-I606 HydrophobicContact CE1-CB 3.95Å; F594-I606 HydrophobicContact CE1-CD1 4.02Å; F594-I606 HydrophobicContact CE1-CG2 3.83Å; F594-I606 HydrophobicContact CZ-CB 4.23Å; F594-I606 HydrophobicContact CZ-CG2 3.73Å; F594-K607 HydrophobicContact CE2-CG 4.29Å; F594-K607 HydrophobicContact CZ-CG 4.03Å
595	P	94.9	Very high	95.4	Very high	51 Å²	51	71 Å²	71	33%	0.331	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-59.2	147.7	175.8	-26.2	36.2	0	0	0	112.2	T568 E593 K597 I598	T568-P595 HydrophobicContact CG2-CG 4.25Å; E593-P595 WeakPolarHBondContact O-CD 3.28Å; P595-K597 HydrophobicContact CB-CG 3.89Å; P595-K597 PolarHBondContact O-N 2.72Å; P595-I598 PolarHBondContact O-N 2.82Å
596	K	93.1	Very high	95.6	Very high	218 Å²	218	71 Å²	71	95%	0.948	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.7	-179.6	-67.2	-177.7	-179.5	175.6	0	114.8	I598	K596-I598 VanDerWaalsContact C-N 3.27Å
597	K	93.9	Very high	96	Very high	112 Å²	112	72.4 Å²	72.4	49%	0.487	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.4	174.5	57.4	179	170.6	179.8	0	113.4	L567 T568 P595	L567-K597 WeakPolarHBondContact O-CD 3.48Å; T568-K597 VanDerWaalsContact CA-CE 3.46Å; T568-K597 VanDerWaalsContact CA-NZ 3.27Å; T568-K597 PolarHBondContact O-NZ 2.89Å; P595-K597 HydrophobicContact CB-CG 3.89Å; P595-K597 PolarHBondContact O-N 2.72Å
598	I	97.6	Very high	96.4	Very high	13 Å²	13	67.4 Å²	67.4	7%	0.067	33%	0.325	C	S	.	.	S	Bend	trans	-79.5	122.1	174.8	-56.1	-179.7	0	0	0	108.7	F564 L567 T568 F594 P595 K596 A602 A603 I606	F564-I598 HydrophobicContact CD2-CD1 3.54Å; F564-I598 HydrophobicContact CE2-CD1 3.5Å; F564-I598 VanDerWaalsContact CE2-CD1 3.5Å; F564-I598 HydrophobicContact CG-CD1 4.27Å; F564-I598 HydrophobicContact CZ-CD1 4.19Å; L567-I598 HydrophobicContact CB-CG1 4.23Å; L567-I598 HydrophobicContact CD1-CG1 4.36Å; L567-I598 HydrophobicContact CD1-CG2 4.06Å; T568-I598 HydrophobicContact CG2-CD1 3.66Å; T568-I598 HydrophobicContact CG2-CG1 3.89Å; F594-I598 HydrophobicContact CD1-CB 4.37Å; F594-I598 HydrophobicContact CD1-CD1 3.66Å; F594-I598 HydrophobicContact CD1-CG2 4.01Å; F594-I598 HydrophobicContact CE1-CD1 4.26Å; F594-I598 HydrophobicContact CG-CD1 4.41Å; P595-I598 PolarHBondContact O-N 2.82Å; K596-I598 VanDerWaalsContact C-N 3.27Å; I598-A602 HydrophobicContact CG2-CB 3.76Å; I598-A603 HydrophobicContact CG2-CB 3.91Å; I598-I606 HydrophobicContact CG2-CD1 4.25Å
599	T	97.5	Very high	96.6	Very high	56 Å²	56	67.3 Å²	67.3	34%	0.344	32%	0.324	S	S	.	.			trans	-66.1	154.6	178.1	68.6	0	0	0	0	111.3	D473 N601 A602 A603	D473-T599 HydrophobicContact CB-CG2 4.23Å; D473-T599 WeakPolarHBondContact OD1-CG2 3.5Å; D473-T599 PolarHBondContact OD1-OG1 3.45Å; T599-N601 PolarHBondContact O-N 3.2Å; T599-A602 PolarHBondContact O-N 2.82Å; T599-A602 VanDerWaalsContact O-N 3.12Å; T599-A602 VanDerWaalsContact OG1-CB 3.26Å; T599-A602 WeakPolarHBondContact OG1-CB 3.34Å; T599-A602 PolarHBondContact OG1-N 3.15Å; T599-A603 WeakPolarHBondContact O-CB 3.32Å; T599-A603 PolarHBondContact O-N 3.19Å
600	K	97.7	Very high	96.7	Very high	192 Å²	192	67.1 Å²	67.1	84%	0.835	32%	0.324	S	S	*	.	H	α-helix	trans	-56.4	-39	179.3	-67.1	-176.5	179.9	180	0	112.7	N604	K600-N604 WeakPolarHBondContact O-CB 3.02Å; K600-N604 PolarHBondContact O-N 2.89Å
601	N	98.1	Very high	96.8	Very high	68 Å²	68	67.9 Å²	67.9	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-71.4	-39.2	178.4	-72.6	-17.7	0	0	0	111.8	T599 N604 L605 H631 W633	T599-N601 PolarHBondContact O-N 3.2Å; N601-N604 PolarHBondContact O-N 2.91Å; N601-L605 PolarHBondContact O-N 3.33Å; N601-H631 PolarHBondContact O-CE1 2.8Å; N601-W633 HydrophobicContact CB-CB 4.05Å
602	A	98.4	Very high	96.7	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-47.5	173.9	0	0	0	0	0	111.2	L567 I598 T599 N604 L605 I606 W633	L567-A602 HydrophobicContact CD1-CB 3.85Å; I598-A602 HydrophobicContact CG2-CB 3.76Å; T599-A602 PolarHBondContact O-N 2.82Å; T599-A602 VanDerWaalsContact O-N 3.12Å; T599-A602 VanDerWaalsContact OG1-CB 3.26Å; T599-A602 WeakPolarHBondContact OG1-CB 3.34Å; T599-A602 PolarHBondContact OG1-N 3.15Å; A602-N604 VanDerWaalsContact C-N 3.31Å; A602-N604 PolarHBondContact O-N 3.35Å; A602-L605 PolarHBondContact O-N 2.74Å; A602-L605 VanDerWaalsContact O-N 3.13Å; A602-I606 VanDerWaalsContact O-CG1 3.31Å; A602-I606 WeakPolarHBondContact O-CG1 3.4Å; A602-I606 PolarHBondContact O-N 2.85Å; A602-W633 HydrophobicContact CB-CG 4.47Å
603	A	98.5	Very high	96.4	Very high	16 Å²	16	65.9 Å²	65.9	13%	0.132	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-41.6	176.5	0	0	0	0	0	111.9	F594 I598 T599 L605 I606 K607	F594-A603 HydrophobicContact CD1-CB 3.54Å; F594-A603 HydrophobicContact CE1-CB 3.9Å; F594-A603 HydrophobicContact CG-CB 4.28Å; I598-A603 HydrophobicContact CG2-CB 3.91Å; T599-A603 WeakPolarHBondContact O-CB 3.32Å; T599-A603 PolarHBondContact O-N 3.19Å; A603-L605 VanDerWaalsContact C-N 3.34Å; A603-L605 PolarHBondContact O-N 2.9Å; A603-I606 PolarHBondContact O-N 3.39Å; A603-K607 WeakPolarHBondContact O-CG 3.25Å; A603-K607 PolarHBondContact O-N 2.94Å
604	N	98.4	Very high	96.3	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-40.5	175.9	-171	-109.5	0	0	0	112.3	K600 N601 A602 K608 H631	K600-N604 WeakPolarHBondContact O-CB 3.02Å; K600-N604 PolarHBondContact O-N 2.89Å; N601-N604 PolarHBondContact O-N 2.91Å; A602-N604 VanDerWaalsContact C-N 3.31Å; A602-N604 PolarHBondContact O-N 3.35Å; N604-K608 WeakPolarHBondContact O-CG 3.17Å; N604-K608 PolarHBondContact O-N 3.31Å; N604-K608 WeakPolarHBondContact OD1-CE 3.48Å; N604-K608 PolarHBondContact OD1-NZ 2.96Å; N604-H631 PolarHBondContact OD1-NE2 2.89Å
605	L	98.7	Very high	95.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-48	177.1	-176.3	48.5	0	0	0	111.5	M563 N601 A602 A603 K607 K608 L609 L618 H631 W633 F634	M563-L605 HydrophobicContact CE-CB 4.16Å; M563-L605 HydrophobicContact CE-CD2 3.77Å; M563-L605 HydrophobicContact CE-CG 3.98Å; M563-L605 HydrophobicContact SD-CD2 3.88Å; M563-L605 HydrophobicContact SD-CG 3.95Å; N601-L605 PolarHBondContact O-N 3.33Å; A602-L605 PolarHBondContact O-N 2.74Å; A602-L605 VanDerWaalsContact O-N 3.13Å; A603-L605 VanDerWaalsContact C-N 3.34Å; A603-L605 PolarHBondContact O-N 2.9Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 3.02Å; L605-K608 PolarHBondContact O-N 3.14Å; L605-K608 VanDerWaalsContact O-N 3.08Å; L605-L609 HydrophobicContact CD1-CD1 3.97Å; L605-L609 HydrophobicContact CD1-CG 3.98Å; L605-L609 HydrophobicContact CG-CD1 3.87Å; L605-L609 HydrophobicContact CG-CG 4.37Å; L605-L609 WeakPolarHBondContact O-CG 3.28Å; L605-L609 PolarHBondContact O-N 3.28Å; L605-L618 HydrophobicContact CD1-CD2 3.36Å; L605-H631 HydrophobicContact CD1-CB 4.21Å; L605-H631 HydrophobicContact CD2-CB 4.47Å; L605-W633 HydrophobicContact CB-CB 4.45Å; L605-W633 HydrophobicContact CD2-CB 4.03Å; L605-W633 HydrophobicContact CD2-CD2 4.03Å; L605-W633 HydrophobicContact CD2-CE3 3.38Å; L605-W633 HydrophobicContact CD2-CG 4.33Å; L605-W633 HydrophobicContact CD2-CZ3 4.06Å; L605-F634 HydrophobicContact CD2-CD2 4.26Å; L605-F634 HydrophobicContact CD2-CE2 3.89Å
606	I	98.8	Very high	95.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-46.8	178.5	-67.8	162.8	0	0	0	110.6	M563 F564 L567 I589 F594 I598 A602 A603 K608 L609 C610	M563-I606 HydrophobicContact CB-CD1 4.15Å; M563-I606 HydrophobicContact CB-CG1 3.84Å; M563-I606 HydrophobicContact CE-CG1 4.02Å; M563-I606 HydrophobicContact SD-CG1 4.4Å; F564-I606 HydrophobicContact CB-CD1 4.08Å; F564-I606 HydrophobicContact CB-CG2 4.47Å; F564-I606 HydrophobicContact CD2-CD1 4.39Å; L567-I606 HydrophobicContact CD1-CD1 4.31Å; I589-I606 HydrophobicContact CD1-CG2 4.33Å; I589-I606 HydrophobicContact CG1-CG2 4.48Å; F594-I606 HydrophobicContact CE1-CB 3.95Å; F594-I606 HydrophobicContact CE1-CD1 4.02Å; F594-I606 HydrophobicContact CE1-CG2 3.83Å; F594-I606 HydrophobicContact CZ-CB 4.23Å; F594-I606 HydrophobicContact CZ-CG2 3.73Å; I598-I606 HydrophobicContact CG2-CD1 4.25Å; A602-I606 VanDerWaalsContact O-CG1 3.31Å; A602-I606 WeakPolarHBondContact O-CG1 3.4Å; A602-I606 PolarHBondContact O-N 2.85Å; A603-I606 PolarHBondContact O-N 3.39Å; I606-K608 VanDerWaalsContact C-N 3.32Å; I606-K608 PolarHBondContact O-N 3.48Å; I606-L609 PolarHBondContact O-N 3.04Å; I606-C610 WeakPolarHBondContact O-CB 3.35Å; I606-C610 PolarHBondContact O-N 3.33Å; I606-C610 PolarHBondContact O-SG 3.23Å
607	K	98.3	Very high	95.5	Very high	66 Å²	66	47 Å²	47	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-37	177.4	-74.8	-176.2	170.1	-128.6	0	113.4	I589 D590 F594 A603 L605 C610 R611	I589-K607 HydrophobicContact CG1-CG 4.33Å; I589-K607 HydrophobicContact CG2-CB 4.5Å; I589-K607 HydrophobicContact CG2-CG 4.34Å; D590-K607 IonicContact OD1-NZ 3.67Å; D590-K607 PolarHBondContact OD1-NZ 3.19Å; F594-K607 HydrophobicContact CE2-CG 4.29Å; F594-K607 HydrophobicContact CZ-CG 4.03Å; A603-K607 WeakPolarHBondContact O-CG 3.25Å; A603-K607 PolarHBondContact O-N 2.94Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 3.02Å; K607-C610 CarbonylContact O-C 3.26Å; K607-R611 PolarHBondContact O-N 3.1Å
608	K	97.7	Very high	95.4	Very high	76 Å²	76	42.4 Å²	42.4	33%	0.33	21%	0.207	S	C	.	.	H	α-helix	trans	-75.2	-28.5	177.6	-74.1	176.1	174	166.4	0	113.4	N604 L605 I606 R617 L618	N604-K608 WeakPolarHBondContact O-CG 3.17Å; N604-K608 PolarHBondContact O-N 3.31Å; N604-K608 WeakPolarHBondContact OD1-CE 3.48Å; N604-K608 PolarHBondContact OD1-NZ 2.96Å; L605-K608 PolarHBondContact O-N 3.14Å; L605-K608 VanDerWaalsContact O-N 3.08Å; I606-K608 VanDerWaalsContact C-N 3.32Å; I606-K608 PolarHBondContact O-N 3.48Å; K608-R617 WeakPolarHBondContact O-CA 3.09Å; K608-L618 HydrophobicContact CB-CB 4.05Å; K608-L618 PolarHBondContact O-N 3.42Å
609	L	98.5	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-75.8	-38.3	173.4	-72.5	171.7	0	0	0	111.2	Y556 L559 M563 L605 I606 R611 R617 L618 I628	Y556-L609 WeakPolarHBondContact O-CB 3.17Å; L559-L609 HydrophobicContact CB-CD1 4.39Å; L559-L609 HydrophobicContact CD2-CD1 4.1Å; L559-L609 HydrophobicContact CD2-CD2 4.16Å; L559-L609 HydrophobicContact CG-CD1 4.1Å; M563-L609 HydrophobicContact SD-CD1 3.66Å; L605-L609 HydrophobicContact CD1-CD1 3.97Å; L605-L609 HydrophobicContact CD1-CG 3.98Å; L605-L609 HydrophobicContact CG-CD1 3.87Å; L605-L609 HydrophobicContact CG-CG 4.37Å; L605-L609 WeakPolarHBondContact O-CG 3.28Å; L605-L609 PolarHBondContact O-N 3.28Å; I606-L609 PolarHBondContact O-N 3.04Å; L609-R611 VanDerWaalsContact C-N 3.34Å; L609-R611 PolarHBondContact O-N 3.48Å; L609-R617 WeakPolarHBondContact O-CD 3.32Å; L609-R617 WeakPolarHBondContact O-CG 3.43Å; L609-L618 HydrophobicContact CD2-CB 4.31Å; L609-L618 WeakPolarHBondContact CD2-O 3.41Å; L609-I628 HydrophobicContact CD2-CD1 3.89Å; L609-I628 HydrophobicContact CD2-CG1 4.19Å
610	C	98.3	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-95.7	39.3	-179.5	-52.7	0	0	0	0	112.6	W557 I589 I606 K607	W557-C610 HydrophobicContact CD2-CB 4.38Å; W557-C610 VanDerWaalsContact CE3-CA 3.47Å; W557-C610 HydrophobicContact CE3-CB 3.87Å; W557-C610 HydrophobicContact CH2-CB 4.22Å; W557-C610 HydrophobicContact CZ3-CB 3.79Å; W557-C610 VanDerWaalsContact CZ3-O 3.3Å; W557-C610 WeakPolarHBondContact CZ3-O 3.23Å; I589-C610 HydrophobicContact CB-CB 3.78Å; I589-C610 HydrophobicContact CD1-CB 4.35Å; I589-C610 HydrophobicContact CG1-CB 3.91Å; I589-C610 HydrophobicContact CG2-CB 4.02Å; I589-C610 WeakPolarHBondContact CG2-O 3.34Å; I606-C610 WeakPolarHBondContact O-CB 3.35Å; I606-C610 PolarHBondContact O-N 3.33Å; I606-C610 PolarHBondContact O-SG 3.23Å; K607-C610 CarbonylContact O-C 3.26Å
611	R	95.9	Very high	94.1	Very high	98 Å²	98	30.7 Å²	30.7	37%	0.37	15%	0.152	S	C	.	.			trans	-69.5	137.9	168	-74.5	-63	-161.7	-175.4	8.4	109.4	D590 K607 L609 E616 R617	D590-R611 IonicContact OD2-NH1 3.85Å; K607-R611 PolarHBondContact O-N 3.1Å; L609-R611 VanDerWaalsContact C-N 3.34Å; L609-R611 PolarHBondContact O-N 3.48Å; R611-E616 HydrophobicContact CB-CB 4.17Å; R611-E616 HydrophobicContact CG-CB 4.21Å; R611-R617 HydrophobicContact CB-CG 3.94Å; R611-R617 PolarHBondContact O-NE 3.48Å; R611-R617 PolarHBondContact O-NH2 3.05Å
612	D	90.9	Very high	93.1	Very high	81 Å²	81	32.2 Å²	32.2	43%	0.433	16%	0.155	S	C	.	.	S	Bend	trans	-62.9	-46.3	-179.3	-60.8	-27.3	0	0	0	110.5	G588 P614 R617	G588-D612 WeakPolarHBondContact CA-OD1 3.5Å; D612-P614 WeakPolarHBondContact O-CD 3.36Å; D612-R617 PolarHBondContact O-NH2 3.27Å
613	N	87.8	Confident	92.1	Very high	46 Å²	46	35.7 Å²	35.7	25%	0.246	17%	0.174	C	C	.	.	S	Bend	trans	-71.5	117	172.6	-173.1	-8.2	0	0	0	110.9	C615 E616	N613-C615 VanDerWaalsContact C-N 3.25Å; N613-C615 PolarHBondContact O-N 3.02Å; N613-C615 PolarHBondContact OD1-N 2.89Å; N613-E616 HydrophobicContact CB-CB 4.38Å; N613-E616 HydrophobicContact CB-CG 4.12Å; N613-E616 WeakPolarHBondContact CB-OE1 3.39Å; N613-E616 PolarHBondContact ND2-OE1 2.95Å; N613-E616 PolarHBondContact O-N 3.4Å; N613-E616 VanDerWaalsContact O-N 3.16Å
614	P	91.6	Very high	91.5	Very high	23 Å²	23	35.9 Å²	35.9	15%	0.149	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-63.5	-26.7	-176.6	-18.8	30.6	0	0	0	114.5	E543 S553 D612 E616 R617 N620	E543-P614 HydrophobicContact CB-CG 4.16Å; E543-P614 HydrophobicContact CG-CG 3.96Å; S553-P614 VanDerWaalsContact OG-CB 3.24Å; S553-P614 WeakPolarHBondContact OG-CB 3.45Å; D612-P614 WeakPolarHBondContact O-CD 3.36Å; P614-E616 VanDerWaalsContact C-N 3.29Å; P614-E616 PolarHBondContact O-N 3.22Å; P614-R617 PolarHBondContact O-N 3.13Å; P614-N620 PolarHBondContact O-ND2 3.35Å
615	C	86.3	Confident	91.1	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.027	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-75.1	-17.7	179.1	-69.8	0	0	0	0	113.6	K245 V249 N613 L621	K245-C615 PolarHBondContact O-SG 3.46Å; V249-C615 HydrophobicContact CG1-CB 3.16Å; N613-C615 VanDerWaalsContact C-N 3.25Å; N613-C615 PolarHBondContact O-N 3.02Å; N613-C615 PolarHBondContact OD1-N 2.89Å; C615-L621 WeakPolarHBondContact O-CD2 3.28Å
616	E	87.6	Confident	90.6	Very high	65 Å²	65	38 Å²	38	30%	0.304	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-92.1	-5.2	175.8	-66.6	170.6	-145.5	0	0	112.9	R611 N613 P614 L618	R611-E616 HydrophobicContact CB-CB 4.17Å; R611-E616 HydrophobicContact CG-CB 4.21Å; N613-E616 HydrophobicContact CB-CB 4.38Å; N613-E616 HydrophobicContact CB-CG 4.12Å; N613-E616 WeakPolarHBondContact CB-OE1 3.39Å; N613-E616 PolarHBondContact ND2-OE1 2.95Å; N613-E616 PolarHBondContact O-N 3.4Å; N613-E616 VanDerWaalsContact O-N 3.16Å; P614-E616 VanDerWaalsContact C-N 3.29Å; P614-E616 PolarHBondContact O-N 3.22Å; E616-L618 PolarHBondContact O-N 3.02Å
617	R	94.8	Very high	90.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-70.3	131.7	-178.1	-67.6	-178.8	-170.3	152.9	11.1	111.3	E543 S553 K608 L609 R611 D612 P614 G619 N620 L621	E543-R617 IonicContact OE1-CZ 3.39Å; E543-R617 IonicContact OE1-NH1 2.59Å; E543-R617 PolarHBondContact OE1-NH1 3.03Å; E543-R617 IonicContact OE1-NH2 2.87Å; E543-R617 PolarHBondContact OE1-NH2 3.11Å; E543-R617 IonicContact OE2-CZ 3.29Å; E543-R617 IonicContact OE2-NH1 2.71Å; E543-R617 PolarHBondContact OE2-NH1 3.23Å; E543-R617 IonicContact OE2-NH2 3.14Å; E543-R617 PolarHBondContact OE2-NH2 3.35Å; S553-R617 WeakPolarHBondContact O-CD 3.4Å; S553-R617 PolarHBondContact O-NH1 2.89Å; K608-R617 WeakPolarHBondContact O-CA 3.09Å; L609-R617 WeakPolarHBondContact O-CD 3.32Å; L609-R617 WeakPolarHBondContact O-CG 3.43Å; R611-R617 HydrophobicContact CB-CG 3.94Å; R611-R617 PolarHBondContact O-NE 3.48Å; R611-R617 PolarHBondContact O-NH2 3.05Å; D612-R617 PolarHBondContact O-NH2 3.27Å; P614-R617 PolarHBondContact O-N 3.13Å; R617-G619 PolarHBondContact O-N 3.04Å; R617-N620 PolarHBondContact O-N 3.42Å; R617-L621 WeakPolarHBondContact O-CD2 3.31Å
618	L	93.3	Very high	90.1	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.079	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	131.3	170.5	-159.5	73.8	0	0	0	109.5	L605 K608 L609 E616 L621 D627 I628 H631	L605-L618 HydrophobicContact CD1-CD2 3.36Å; K608-L618 HydrophobicContact CB-CB 4.05Å; K608-L618 PolarHBondContact O-N 3.42Å; L609-L618 HydrophobicContact CD2-CB 4.31Å; L609-L618 WeakPolarHBondContact CD2-O 3.41Å; E616-L618 PolarHBondContact O-N 3.02Å; L618-L621 HydrophobicContact CD1-CD1 3.93Å; L618-D627 HydrophobicContact CD1-CB 3.66Å; L618-D627 HydrophobicContact CG-CB 4.16Å; L618-I628 HydrophobicContact CB-CG1 4.35Å; L618-I628 HydrophobicContact CD2-CB 4.46Å; L618-I628 HydrophobicContact CD2-CG1 4.06Å; L618-I628 HydrophobicContact CG-CG1 3.92Å; L618-H631 HydrophobicContact CD2-CB 4.32Å
619	G	90.1	Very high	90	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-26.8	-169.9	0	0	0	0	0	113.9	Y556 R617 G624	Y556-G619 WeakPolarHBondContact CE2-O 3.46Å; Y556-G619 PolarHBondContact OH-O 2.88Å; R617-G619 PolarHBondContact O-N 3.04Å; G619-G624 WeakPolarHBondContact CA-O 3.49Å; G619-G624 CarbonylContact O-C 3.5Å; G619-G624 WeakPolarHBondContact O-CA 3.39Å
620	N	89.1	Confident	89.7	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.011	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-4.8	175.3	-162.3	30.5	0	0	0	113.6	K245 S553 Y556 P614 R617	K245-N620 VanDerWaalsContact CE-OD1 3.23Å; K245-N620 WeakPolarHBondContact CE-OD1 3.48Å; K245-N620 PolarHBondContact NZ-O 3.12Å; K245-N620 PolarHBondContact NZ-OD1 2.97Å; K245-N620 VanDerWaalsContact NZ-OD1 3.13Å; S553-N620 WeakPolarHBondContact CB-ND2 3.42Å; Y556-N620 HydrophobicContact CD2-CB 4.22Å; Y556-N620 HydrophobicContact CE2-CB 4.28Å; P614-N620 PolarHBondContact O-ND2 3.35Å; R617-N620 PolarHBondContact O-N 3.42Å
621	L	85.3	Confident	89.7	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.063	21%	0.207	C	C	.	.	S	Bend	trans	-70	178.8	174.2	-43.9	-176.7	0	0	0	111.2	H336 C615 R617 L618 N623 G624	H336-L621 HydrophobicContact CB-CB 4.45Å; H336-L621 HydrophobicContact CB-CD2 4.03Å; C615-L621 WeakPolarHBondContact O-CD2 3.28Å; R617-L621 WeakPolarHBondContact O-CD2 3.31Å; L618-L621 HydrophobicContact CD1-CD1 3.93Å; L621-N623 VanDerWaalsContact C-N 3.35Å; L621-N623 PolarHBondContact O-N 3.5Å; L621-G624 WeakPolarHBondContact O-CA 3.39Å; L621-G624 PolarHBondContact O-N 3.3Å
622	K	76.8	Confident	89.8	Confident	99 Å²	99	44.8 Å²	44.8	43%	0.43	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-43.1	-178.1	177.5	-176.1	179.7	-160.6	0	116	H336 G339 G340 G624	H336-K622 WeakPolarHBondContact O-CB 3.38Å; H336-K622 PolarHBondContact O-N 3.46Å; G339-K622 PolarHBondContact O-NZ 2.79Å; G340-K622 WeakPolarHBondContact O-CE 3.21Å; G340-K622 PolarHBondContact O-NZ 2.61Å; K622-G624 PolarHBondContact O-N 2.65Å
623	N	77.1	Confident	90.1	Very high	74 Å²	74	41 Å²	41	40%	0.396	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6	-179.3	-47.5	-57.6	0	0	0	112.7	L621 V625 K626 D627	L621-N623 VanDerWaalsContact C-N 3.35Å; L621-N623 PolarHBondContact O-N 3.5Å; N623-V625 PolarHBondContact O-N 3.06Å; N623-K626 HydrophobicContact CB-CB 4.11Å; N623-K626 VanDerWaalsContact O-CB 3.29Å; N623-K626 WeakPolarHBondContact O-CB 3.23Å; N623-K626 PolarHBondContact O-N 2.95Å; N623-K626 VanDerWaalsContact O-N 3.14Å; N623-D627 WeakPolarHBondContact CB-OD1 3.44Å; N623-D627 WeakPolarHBondContact CB-OD2 3.37Å; N623-D627 PolarHBondContact N-OD2 3.38Å; N623-D627 PolarHBondContact ND2-OD1 3.04Å
624	G	86	Confident	90.6	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-134.3	-179.1	0	0	0	0	0	112.1	G619 L621 K622 K626 D627	G619-G624 WeakPolarHBondContact CA-O 3.49Å; G619-G624 CarbonylContact O-C 3.5Å; G619-G624 WeakPolarHBondContact O-CA 3.39Å; L621-G624 WeakPolarHBondContact O-CA 3.39Å; L621-G624 PolarHBondContact O-N 3.3Å; K622-G624 PolarHBondContact O-N 2.65Å; G624-K626 PolarHBondContact O-N 2.85Å; G624-D627 PolarHBondContact O-N 2.97Å; G624-D627 VanDerWaalsContact O-N 3.1Å
625	V	89.9	Confident	90.8	Very high	24 Å²	24	44.8 Å²	44.8	15%	0.145	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-24.5	178.5	72.5	0	0	0	0	114.2	V484 A488 N623 D627 I628 Q629	V484-V625 HydrophobicContact CG1-CG2 3.43Å; V484-V625 VanDerWaalsContact CG1-CG2 3.43Å; A488-V625 HydrophobicContact CB-CB 4.41Å; A488-V625 HydrophobicContact CB-CG1 3.85Å; A488-V625 HydrophobicContact CB-CG2 4.15Å; N623-V625 PolarHBondContact O-N 3.06Å; V625-D627 PolarHBondContact O-N 3.42Å; V625-I628 WeakPolarHBondContact O-CB 3.36Å; V625-I628 PolarHBondContact O-N 2.87Å; V625-Q629 PolarHBondContact O-N 3.12Å; V625-Q629 VanDerWaalsContact O-N 3.11Å
626	K	88.4	Confident	91.1	Very high	90 Å²	90	48.6 Å²	48.6	39%	0.391	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-28.4	179.2	-61.5	178.3	179.2	173.5	0	112.1	N623 G624 I628 Q629 K630	N623-K626 HydrophobicContact CB-CB 4.11Å; N623-K626 VanDerWaalsContact O-CB 3.29Å; N623-K626 WeakPolarHBondContact O-CB 3.23Å; N623-K626 PolarHBondContact O-N 2.95Å; N623-K626 VanDerWaalsContact O-N 3.14Å; G624-K626 PolarHBondContact O-N 2.85Å; K626-I628 VanDerWaalsContact C-N 3.29Å; K626-Q629 PolarHBondContact O-N 2.91Å; K626-K630 WeakPolarHBondContact O-CB 3.31Å; K626-K630 VanDerWaalsContact O-CG 3.29Å; K626-K630 WeakPolarHBondContact O-CG 3.19Å; K626-K630 PolarHBondContact O-N 2.7Å
627	D	90.9	Very high	91.5	Very high	31 Å²	31	47 Å²	47	17%	0.166	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-31.3	175.8	-71.4	-36.4	0	0	0	111.7	L618 N623 G624 V625 H631	L618-D627 HydrophobicContact CD1-CB 3.66Å; L618-D627 HydrophobicContact CG-CB 4.16Å; N623-D627 WeakPolarHBondContact CB-OD1 3.44Å; N623-D627 WeakPolarHBondContact CB-OD2 3.37Å; N623-D627 PolarHBondContact N-OD2 3.38Å; N623-D627 PolarHBondContact ND2-OD1 3.04Å; G624-D627 PolarHBondContact O-N 2.97Å; G624-D627 VanDerWaalsContact O-N 3.1Å; V625-D627 PolarHBondContact O-N 3.42Å; D627-H631 PolarHBondContact O-N 2.82Å
628	I	97	Very high	91.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-68.5	-49.8	170.9	-58.4	172.4	0	0	0	109.6	V484 Y556 L559 L609 L618 V625 K626 K630 H631 F634	V484-I628 HydrophobicContact CG1-CG2 4.49Å; V484-I628 HydrophobicContact CG2-CG2 3.94Å; Y556-I628 HydrophobicContact CD1-CD1 3.61Å; Y556-I628 HydrophobicContact CE1-CD1 3.74Å; Y556-I628 HydrophobicContact CG-CD1 4.43Å; L559-I628 HydrophobicContact CD2-CD1 4.18Å; L609-I628 HydrophobicContact CD2-CD1 3.89Å; L609-I628 HydrophobicContact CD2-CG1 4.19Å; L618-I628 HydrophobicContact CB-CG1 4.35Å; L618-I628 HydrophobicContact CD2-CB 4.46Å; L618-I628 HydrophobicContact CD2-CG1 4.06Å; L618-I628 HydrophobicContact CG-CG1 3.92Å; V625-I628 WeakPolarHBondContact O-CB 3.36Å; V625-I628 PolarHBondContact O-N 2.87Å; K626-I628 VanDerWaalsContact C-N 3.29Å; I628-K630 PolarHBondContact O-N 2.78Å; I628-H631 WeakPolarHBondContact O-CB 3.33Å; I628-H631 PolarHBondContact O-N 3.5Å; I628-F634 HydrophobicContact CG2-CE2 3.89Å; I628-F634 VanDerWaalsContact O-CD2 3.31Å; I628-F634 WeakPolarHBondContact O-CD2 2.9Å
629	Q	93.8	Very high	91.6	Very high	36 Å²	36	51.8 Å²	51.8	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-32.7	-177.7	-67.4	173.5	-32.1	0	0	113.4	V484 E485 V625 K626 W639	V484-Q629 HydrophobicContact CG1-CG 4.05Å; E485-Q629 PolarHBondContact OE1-NE2 2.96Å; V625-Q629 PolarHBondContact O-N 3.12Å; V625-Q629 VanDerWaalsContact O-N 3.11Å; K626-Q629 PolarHBondContact O-N 2.91Å; Q629-W639 HydrophobicContact CB-CD2 4.32Å; Q629-W639 HydrophobicContact CB-CZ2 3.87Å; Q629-W639 HydrophobicContact CG-CD2 3.99Å; Q629-W639 HydrophobicContact CG-CE3 4.1Å; Q629-W639 HydrophobicContact CG-CH2 3.8Å; Q629-W639 HydrophobicContact CG-CZ2 3.67Å; Q629-W639 HydrophobicContact CG-CZ3 4Å; Q629-W639 PolarHBondContact O-NE1 3.1Å
630	K	94.1	Very high	91.7	Very high	155 Å²	155	56.3 Å²	56.3	67%	0.674	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5	178.4	-69.7	174.7	-178.7	178	0	114	K626 I628	K626-K630 WeakPolarHBondContact O-CB 3.31Å; K626-K630 VanDerWaalsContact O-CG 3.29Å; K626-K630 WeakPolarHBondContact O-CG 3.19Å; K626-K630 PolarHBondContact O-N 2.7Å; I628-K630 PolarHBondContact O-N 2.78Å
631	H	97.9	Very high	91.9	Very high	15 Å²	15	56.3 Å²	56.3	7%	0.069	29%	0.29	C	S	.	.	S	Bend	trans	-61.8	145.2	-178.7	-169	-96.1	0	0	0	111.3	N601 N604 L605 L618 D627 I628 W633 F634	N601-H631 PolarHBondContact O-CE1 2.8Å; N604-H631 PolarHBondContact OD1-NE2 2.89Å; L605-H631 HydrophobicContact CD1-CB 4.21Å; L605-H631 HydrophobicContact CD2-CB 4.47Å; L618-H631 HydrophobicContact CD2-CB 4.32Å; D627-H631 PolarHBondContact O-N 2.82Å; I628-H631 WeakPolarHBondContact O-CB 3.33Å; I628-H631 PolarHBondContact O-N 3.5Å; H631-W633 PolarHBondContact ND1-N 3Å; H631-W633 PolarHBondContact O-N 2.92Å; H631-F634 PolarHBondContact O-N 3.08Å
632	K	96.8	Very high	92.5	Very high	146 Å²	146	55.8 Å²	55.8	64%	0.635	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-56.3	-22.5	-178.4	-69.7	-171.8	176.4	-176.3	0	114.5	F634 E635	K632-F634 VanDerWaalsContact C-N 3.25Å; K632-F634 PolarHBondContact O-N 3.26Å; K632-E635 WeakPolarHBondContact O-CB 3.2Å; K632-E635 PolarHBondContact O-N 3.38Å
633	W	98.4	Very high	93.1	Very high	2 Å²	2	55 Å²	55	1%	0.008	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.9	-28.5	174.2	-174.7	64.8	0	0	0	112.8	D473 T476 R477 T480 M563 N601 A602 L605 H631 E635	D473-W633 VanDerWaalsContact CG-NE1 3.35Å; D473-W633 PolarHBondContact OD1-NE1 3.3Å; D473-W633 PolarHBondContact OD2-NE1 2.87Å; D473-W633 VanDerWaalsContact OD2-NE1 3.16Å; T476-W633 HydrophobicContact CG2-CH2 4.06Å; T476-W633 HydrophobicContact CG2-CZ2 4.11Å; R477-W633 HydrophobicContact CB-CH2 3.84Å; R477-W633 HydrophobicContact CB-CZ2 3.79Å; R477-W633 HydrophobicContact CB-CZ3 4.33Å; R477-W633 HydrophobicContact CG-CE3 4.29Å; R477-W633 HydrophobicContact CG-CH2 4.14Å; R477-W633 HydrophobicContact CG-CZ2 4.27Å; R477-W633 HydrophobicContact CG-CZ3 4.12Å; R477-W633 PolarHBondContact NE-O 3.03Å; R477-W633 VanDerWaalsContact NE-O 3.08Å; R477-W633 PolarHBondContact NH1-O 3.14Å; R477-W633 PolarHBondContact NH2-O 2.68Å; T480-W633 HydrophobicContact CG2-CH2 4.18Å; T480-W633 HydrophobicContact CG2-CZ3 3.83Å; M563-W633 HydrophobicContact CE-CD2 3.92Å; M563-W633 HydrophobicContact CE-CE3 3.73Å; M563-W633 HydrophobicContact CE-CH2 3.5Å; M563-W633 HydrophobicContact CE-CZ2 3.81Å; M563-W633 HydrophobicContact CE-CZ3 3.49Å; M563-W633 VanDerWaalsContact CE-CZ3 3.49Å; M563-W633 HydrophobicContact CG-CH2 4.45Å; M563-W633 HydrophobicContact SD-CH2 4.31Å; M563-W633 HydrophobicContact SD-CZ3 4.05Å; N601-W633 HydrophobicContact CB-CB 4.05Å; A602-W633 HydrophobicContact CB-CG 4.47Å; L605-W633 HydrophobicContact CB-CB 4.45Å; L605-W633 HydrophobicContact CD2-CB 4.03Å; L605-W633 HydrophobicContact CD2-CD2 4.03Å; L605-W633 HydrophobicContact CD2-CE3 3.38Å; L605-W633 HydrophobicContact CD2-CG 4.33Å; L605-W633 HydrophobicContact CD2-CZ3 4.06Å; H631-W633 PolarHBondContact ND1-N 3Å; H631-W633 PolarHBondContact O-N 2.92Å; W633-E635 VanDerWaalsContact C-N 3.34Å
634	F	98.2	Very high	93.8	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-92.4	12.5	173.1	-71.6	-73.2	0	0	0	113.4	R477 T480 A481 L605 I628 H631 K632 G636 F637 W639	R477-F634 HydrophobicContact CG-CD1 3.58Å; R477-F634 HydrophobicContact CG-CE1 3.59Å; T480-F634 HydrophobicContact CG2-CZ 4.06Å; A481-F634 HydrophobicContact CB-CE1 3.97Å; L605-F634 HydrophobicContact CD2-CD2 4.26Å; L605-F634 HydrophobicContact CD2-CE2 3.89Å; I628-F634 HydrophobicContact CG2-CE2 3.89Å; I628-F634 VanDerWaalsContact O-CD2 3.31Å; I628-F634 WeakPolarHBondContact O-CD2 2.9Å; H631-F634 PolarHBondContact O-N 3.08Å; K632-F634 VanDerWaalsContact C-N 3.25Å; K632-F634 PolarHBondContact O-N 3.26Å; F634-G636 PolarHBondContact O-N 3.27Å; F634-F637 HydrophobicContact CB-CB 4.22Å; F634-F637 HydrophobicContact CD1-CB 4.1Å; F634-F637 HydrophobicContact CD1-CD1 4.12Å; F634-F637 HydrophobicContact CD1-CG 4.01Å; F634-F637 WeakPolarHBondContact O-CB 3.47Å; F634-F637 PolarHBondContact O-N 3.34Å; F634-W639 HydrophobicContact CB-CZ2 4.2Å; F634-W639 HydrophobicContact CD1-CH2 4.13Å; F634-W639 AromaticContact CD1-CZ2 3.42Å; F634-W639 HydrophobicContact CD1-CZ2 3.42Å; F634-W639 VanDerWaalsContact CD1-CZ2 3.42Å; F634-W639 AromaticContact CD2-CZ2 3.83Å; F634-W639 HydrophobicContact CD2-CZ2 3.83Å; F634-W639 AromaticContact CE1-CH2 3.77Å; F634-W639 HydrophobicContact CE1-CH2 3.77Å; F634-W639 AromaticContact CE1-CZ2 3.55Å; F634-W639 HydrophobicContact CE1-CZ2 3.55Å; F634-W639 HydrophobicContact CE2-CH2 4.23Å; F634-W639 AromaticContact CE2-CZ2 3.93Å; F634-W639 HydrophobicContact CE2-CZ2 3.93Å; F634-W639 AromaticContact CG-CZ2 3.56Å; F634-W639 HydrophobicContact CG-CZ2 3.56Å; F634-W639 AromaticContact CZ-CH2 3.8Å; F634-W639 HydrophobicContact CZ-CH2 3.8Å; F634-W639 AromaticContact CZ-CZ2 3.78Å; F634-W639 HydrophobicContact CZ-CZ2 3.78Å
635	E	94.9	Very high	94.1	Very high	142 Å²	142	59.1 Å²	59.1	66%	0.664	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	127.5	175.4	-172.8	172.9	-173.1	0	0	110.5	R477 K632 W633 F637	R477-E635 PolarHBondContact NH1-O 3.06Å; K632-E635 WeakPolarHBondContact O-CB 3.2Å; K632-E635 PolarHBondContact O-N 3.38Å; W633-E635 VanDerWaalsContact C-N 3.34Å; E635-F637 VanDerWaalsContact C-N 3.27Å; E635-F637 PolarHBondContact O-N 2.69Å
636	G	92.6	Very high	94.4	Very high	84 Å²	84	62.7 Å²	62.7	87%	0.866	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-0.5	-175.2	0	0	0	0	0	115.8	F634	F634-G636 PolarHBondContact O-N 3.27Å
637	F	97.4	Very high	94.8	Very high	31 Å²	31	60.2 Å²	60.2	14%	0.136	32%	0.315	C	S	.	.			trans	-76.9	129.2	177.9	-170.7	-96	0	0	0	111.6	R477 A481 F634 E635 W639 L642 L647	R477-F637 HydrophobicContact CG-CD2 3.95Å; R477-F637 HydrophobicContact CG-CE2 4.34Å; A481-F637 HydrophobicContact CB-CD1 4.34Å; A481-F637 HydrophobicContact CB-CE1 3.38Å; A481-F637 HydrophobicContact CB-CE2 4.29Å; A481-F637 HydrophobicContact CB-CZ 3.35Å; F634-F637 HydrophobicContact CB-CB 4.22Å; F634-F637 HydrophobicContact CD1-CB 4.1Å; F634-F637 HydrophobicContact CD1-CD1 4.12Å; F634-F637 HydrophobicContact CD1-CG 4.01Å; F634-F637 WeakPolarHBondContact O-CB 3.47Å; F634-F637 PolarHBondContact O-N 3.34Å; E635-F637 VanDerWaalsContact C-N 3.27Å; E635-F637 PolarHBondContact O-N 2.69Å; F637-W639 AromaticContact CD1-CD1 3.97Å; F637-W639 AromaticContact CD1-CD2 3.81Å; F637-W639 HydrophobicContact CD1-CD2 3.81Å; F637-W639 AromaticContact CD1-CE2 3.73Å; F637-W639 HydrophobicContact CD1-CE3 4.39Å; F637-W639 AromaticContact CD1-CG 3.97Å; F637-W639 HydrophobicContact CD1-CG 3.97Å; F637-W639 HydrophobicContact CD1-CZ2 4.24Å; F637-W639 AromaticContact CD1-NE1 3.85Å; F637-W639 AromaticContact CE1-CD2 4Å; F637-W639 HydrophobicContact CE1-CD2 4Å; F637-W639 HydrophobicContact CE1-CE3 4.13Å; F637-W639 HydrophobicContact CE1-CG 4.38Å; F637-W639 HydrophobicContact CE1-CZ3 4.48Å; F637-W639 PolarHBondContact O-N 3.47Å; F637-L642 HydrophobicContact CE1-CB 4.3Å; F637-L642 HydrophobicContact CE1-CD2 4.1Å; F637-L642 HydrophobicContact CZ-CB 4.47Å; F637-L642 HydrophobicContact CZ-CD1 4.31Å; F637-L642 HydrophobicContact CZ-CD2 4.24Å; F637-L647 HydrophobicContact CE2-CD2 4.32Å; F637-L647 HydrophobicContact CZ-CD2 4.45Å
638	N	95.8	Very high	95.1	Very high	85 Å²	85	64 Å²	64	46%	0.455	34%	0.339	S	S	.	.			trans	-91	84.3	-177.1	-179.3	10.7	0	0	0	111.8	E640 G641 L642 L647	N638-E640 VanDerWaalsContact C-N 3.32Å; N638-E640 PolarHBondContact O-N 2.87Å; N638-E640 PolarHBondContact OD1-N 3.4Å; N638-G641 PolarHBondContact O-N 3.43Å; N638-G641 PolarHBondContact OD1-N 3.16Å; N638-L642 PolarHBondContact O-N 3.23Å; N638-L647 HydrophobicContact CB-CD1 3.75Å
639	W	94.6	Very high	95.1	Very high	30 Å²	30	64.7 Å²	64.7	11%	0.114	34%	0.344	C	S	.	.	H	α-helix	trans	-57.9	-39.2	177.1	-68.7	98.6	0	0	0	113.6	A481 V484 E485 Q629 F634 F637 G641 L642 K643	A481-W639 HydrophobicContact CB-CE3 4.32Å; A481-W639 HydrophobicContact CB-CH2 3.71Å; A481-W639 HydrophobicContact CB-CZ2 4.48Å; A481-W639 HydrophobicContact CB-CZ3 3.62Å; V484-W639 HydrophobicContact CB-CH2 3.91Å; V484-W639 HydrophobicContact CB-CZ3 4.05Å; V484-W639 HydrophobicContact CG1-CH2 3.64Å; V484-W639 HydrophobicContact CG1-CZ3 3.78Å; V484-W639 HydrophobicContact CG2-CH2 4.39Å; E485-W639 HydrophobicContact CG-CE3 4.29Å; E485-W639 HydrophobicContact CG-CZ3 4.21Å; Q629-W639 HydrophobicContact CB-CD2 4.32Å; Q629-W639 HydrophobicContact CB-CZ2 3.87Å; Q629-W639 HydrophobicContact CG-CD2 3.99Å; Q629-W639 HydrophobicContact CG-CE3 4.1Å; Q629-W639 HydrophobicContact CG-CH2 3.8Å; Q629-W639 HydrophobicContact CG-CZ2 3.67Å; Q629-W639 HydrophobicContact CG-CZ3 4Å; Q629-W639 PolarHBondContact O-NE1 3.1Å; F634-W639 HydrophobicContact CB-CZ2 4.2Å; F634-W639 HydrophobicContact CD1-CH2 4.13Å; F634-W639 AromaticContact CD1-CZ2 3.42Å; F634-W639 HydrophobicContact CD1-CZ2 3.42Å; F634-W639 VanDerWaalsContact CD1-CZ2 3.42Å; F634-W639 AromaticContact CD2-CZ2 3.83Å; F634-W639 HydrophobicContact CD2-CZ2 3.83Å; F634-W639 AromaticContact CE1-CH2 3.77Å; F634-W639 HydrophobicContact CE1-CH2 3.77Å; F634-W639 AromaticContact CE1-CZ2 3.55Å; F634-W639 HydrophobicContact CE1-CZ2 3.55Å; F634-W639 HydrophobicContact CE2-CH2 4.23Å; F634-W639 AromaticContact CE2-CZ2 3.93Å; F634-W639 HydrophobicContact CE2-CZ2 3.93Å; F634-W639 AromaticContact CG-CZ2 3.56Å; F634-W639 HydrophobicContact CG-CZ2 3.56Å; F634-W639 AromaticContact CZ-CH2 3.8Å; F634-W639 HydrophobicContact CZ-CH2 3.8Å; F634-W639 AromaticContact CZ-CZ2 3.78Å; F634-W639 HydrophobicContact CZ-CZ2 3.78Å; F637-W639 AromaticContact CD1-CD1 3.97Å; F637-W639 AromaticContact CD1-CD2 3.81Å; F637-W639 HydrophobicContact CD1-CD2 3.81Å; F637-W639 AromaticContact CD1-CE2 3.73Å; F637-W639 HydrophobicContact CD1-CE3 4.39Å; F637-W639 AromaticContact CD1-CG 3.97Å; F637-W639 HydrophobicContact CD1-CG 3.97Å; F637-W639 HydrophobicContact CD1-CZ2 4.24Å; F637-W639 AromaticContact CD1-NE1 3.85Å; F637-W639 AromaticContact CE1-CD2 4Å; F637-W639 HydrophobicContact CE1-CD2 4Å; F637-W639 HydrophobicContact CE1-CE3 4.13Å; F637-W639 HydrophobicContact CE1-CG 4.38Å; F637-W639 HydrophobicContact CE1-CZ3 4.48Å; F637-W639 PolarHBondContact O-N 3.47Å; W639-G641 VanDerWaalsContact C-N 3.34Å; W639-G641 PolarHBondContact O-N 2.9Å; W639-L642 HydrophobicContact CE3-CD2 4.35Å; W639-L642 HydrophobicContact CZ3-CD2 4.48Å; W639-L642 WeakPolarHBondContact O-CB 3.42Å; W639-L642 PolarHBondContact O-N 3.44Å; W639-K643 WeakPolarHBondContact O-CG 3.29Å; W639-K643 PolarHBondContact O-N 3.23Å
640	E	91.9	Very high	95.3	Very high	98 Å²	98	65.5 Å²	65.5	46%	0.458	35%	0.352	S	S	.	.	H	α-helix	trans	-65.8	-39.1	177	-73.5	-60.8	123.8	0	0	111.8	N638 L642 K643 K644	N638-E640 VanDerWaalsContact C-N 3.32Å; N638-E640 PolarHBondContact O-N 2.87Å; N638-E640 PolarHBondContact OD1-N 3.4Å; E640-L642 VanDerWaalsContact C-N 3.33Å; E640-K643 PolarHBondContact O-N 2.98Å; E640-K644 WeakPolarHBondContact O-CB 3.35Å; E640-K644 VanDerWaalsContact O-CG 3.29Å; E640-K644 WeakPolarHBondContact O-CG 3.4Å; E640-K644 PolarHBondContact O-N 3.07Å; E640-K644 IonicContact OE2-NZ 3.46Å
641	G	92.8	Very high	95.4	Very high	2 Å²	2	58.8 Å²	58.8	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-35.1	174.1	0	0	0	0	0	112.7	N638 W639 G645 T646 L647	N638-G641 PolarHBondContact O-N 3.43Å; N638-G641 PolarHBondContact OD1-N 3.16Å; W639-G641 VanDerWaalsContact C-N 3.34Å; W639-G641 PolarHBondContact O-N 2.9Å; G641-G645 PolarHBondContact O-N 3.34Å; G641-T646 VanDerWaalsContact CA-OG1 3.22Å; G641-T646 WeakPolarHBondContact CA-OG1 3.38Å; G641-T646 PolarHBondContact O-N 2.87Å; G641-T646 PolarHBondContact O-OG1 3.38Å; G641-L647 PolarHBondContact O-N 3.12Å; G641-L647 VanDerWaalsContact O-N 3.16Å
642	L	96.7	Very high	95.4	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-54.2	173	-174.2	77	0	0	0	110.5	F435 F478 A481 E485 Y512 F637 N638 W639 E640 K644 G645	F435-L642 HydrophobicContact CE1-CD1 4.35Å; F435-L642 HydrophobicContact CE1-CD2 4.18Å; F435-L642 HydrophobicContact CE1-CG 3.97Å; F435-L642 HydrophobicContact CZ-CD2 4.1Å; F435-L642 HydrophobicContact CZ-CG 3.83Å; F478-L642 HydrophobicContact CD2-CD1 4.04Å; F478-L642 HydrophobicContact CE2-CD1 3.52Å; F478-L642 HydrophobicContact CZ-CD1 3.87Å; A481-L642 HydrophobicContact CB-CD2 3.58Å; E485-L642 HydrophobicContact CG-CD2 4.01Å; Y512-L642 HydrophobicContact CD1-CD1 4.26Å; Y512-L642 HydrophobicContact CE1-CD1 3.72Å; Y512-L642 HydrophobicContact CE1-CG 4.41Å; F637-L642 HydrophobicContact CE1-CB 4.3Å; F637-L642 HydrophobicContact CE1-CD2 4.1Å; F637-L642 HydrophobicContact CZ-CB 4.47Å; F637-L642 HydrophobicContact CZ-CD1 4.31Å; F637-L642 HydrophobicContact CZ-CD2 4.24Å; N638-L642 PolarHBondContact O-N 3.23Å; W639-L642 HydrophobicContact CE3-CD2 4.35Å; W639-L642 HydrophobicContact CZ3-CD2 4.48Å; W639-L642 WeakPolarHBondContact O-CB 3.42Å; W639-L642 PolarHBondContact O-N 3.44Å; E640-L642 VanDerWaalsContact C-N 3.33Å; L642-K644 VanDerWaalsContact C-N 3.28Å; L642-K644 PolarHBondContact O-N 3.42Å; L642-G645 PolarHBondContact O-N 3.48Å; L642-G645 VanDerWaalsContact O-N 3.07Å
643	K	90.8	Very high	95.3	Very high	83 Å²	83	57.2 Å²	57.2	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-36.1	179.2	-71.2	175.1	179.1	175.1	0	113.5	E485 W639 E640 G645	E485-K643 WeakPolarHBondContact OE1-CE 3.17Å; E485-K643 WeakPolarHBondContact OE2-CE 3.46Å; E485-K643 IonicContact OE2-NZ 2.67Å; W639-K643 WeakPolarHBondContact O-CG 3.29Å; W639-K643 PolarHBondContact O-N 3.23Å; E640-K643 PolarHBondContact O-N 2.98Å; K643-G645 VanDerWaalsContact C-N 3.29Å
644	K	91.6	Very high	95.1	Very high	147 Å²	147	62.6 Å²	62.6	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.1	179.7	-68.9	172.8	-175.1	168.9	0	113.6	E640 L642 T646	E640-K644 WeakPolarHBondContact O-CB 3.35Å; E640-K644 VanDerWaalsContact O-CG 3.29Å; E640-K644 WeakPolarHBondContact O-CG 3.4Å; E640-K644 PolarHBondContact O-N 3.07Å; E640-K644 IonicContact OE2-NZ 3.46Å; L642-K644 VanDerWaalsContact C-N 3.28Å; L642-K644 PolarHBondContact O-N 3.42Å; K644-T646 HydrophobicContact CB-CG2 4.02Å; K644-T646 PolarHBondContact O-N 3.22Å
645	G	92.8	Very high	94.9	Very high	32 Å²	32	64.1 Å²	64.1	33%	0.33	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	16.3	-176.9	0	0	0	0	0	114.1	Y512 G641 L642 K643	Y512-G645 WeakPolarHBondContact OH-CA 3.34Å; Y512-G645 PolarHBondContact OH-O 2.82Å; G641-G645 PolarHBondContact O-N 3.34Å; L642-G645 PolarHBondContact O-N 3.48Å; L642-G645 VanDerWaalsContact O-N 3.07Å; K643-G645 VanDerWaalsContact C-N 3.29Å
646	T	95.6	Very high	94.9	Very high	99 Å²	99	62.3 Å²	62.3	61%	0.607	36%	0.36	S	S	*	.			trans	-96.4	-8.3	-176.5	65	0	0	0	0	113.2	G641 K644	G641-T646 VanDerWaalsContact CA-OG1 3.22Å; G641-T646 WeakPolarHBondContact CA-OG1 3.38Å; G641-T646 PolarHBondContact O-N 2.87Å; G641-T646 PolarHBondContact O-OG1 3.38Å; K644-T646 HydrophobicContact CB-CG2 4.02Å; K644-T646 PolarHBondContact O-N 3.22Å
647	L	95.8	Very high	94.9	Very high	38 Å²	38	60.9 Å²	60.9	20%	0.199	34%	0.336	C	S	.	.	S	Bend	trans	-83.8	125.1	178.5	-159.9	119.6	0	0	0	109.7	F478 Y512 F637 N638 G641 P649	F478-L647 HydrophobicContact CD2-CD2 3.31Å; F478-L647 HydrophobicContact CE2-CD2 3.36Å; Y512-L647 PolarHBondContact OH-N 3.34Å; Y512-L647 PolarHBondContact OH-O 3Å; F637-L647 HydrophobicContact CE2-CD2 4.32Å; F637-L647 HydrophobicContact CZ-CD2 4.45Å; N638-L647 HydrophobicContact CB-CD1 3.75Å; G641-L647 PolarHBondContact O-N 3.12Å; G641-L647 VanDerWaalsContact O-N 3.16Å; L647-P649 VanDerWaalsContact O-CD 3.23Å; L647-P649 WeakPolarHBondContact O-CD 3.38Å
648	T	97.3	Very high	94.7	Very high	112 Å²	112	60.7 Å²	60.7	69%	0.687	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-65.9	123	178.6	-52.1	0	0	0	0	110.7	I652	T648-I652 HydrophobicContact CG2-CD1 4.3Å
649	P	97.6	Very high	94.7	Very high	15 Å²	15	59.1 Å²	59.1	10%	0.097	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-67.7	149.1	176.3	-25.4	40.1	0	0	0	112	F478 R510 Y512 L647 I651	F478-P649 HydrophobicContact CE1-CB 3.85Å; F478-P649 HydrophobicContact CE1-CG 4.3Å; F478-P649 HydrophobicContact CE2-CB 4.3Å; F478-P649 HydrophobicContact CE2-CG 4.32Å; F478-P649 HydrophobicContact CZ-CB 3.68Å; F478-P649 HydrophobicContact CZ-CG 3.7Å; R510-P649 VanDerWaalsContact O-CG 3.28Å; R510-P649 WeakPolarHBondContact O-CG 3.42Å; Y512-P649 HydrophobicContact CD2-CG 3.56Å; Y512-P649 HydrophobicContact CE2-CG 3.44Å; Y512-P649 VanDerWaalsContact CE2-CG 3.44Å; Y512-P649 HydrophobicContact CG-CG 4.43Å; L647-P649 VanDerWaalsContact O-CD 3.23Å; L647-P649 WeakPolarHBondContact O-CD 3.38Å; P649-I651 VanDerWaalsContact C-N 3.26Å; P649-I651 PolarHBondContact O-N 3.31Å
650	P	97.5	Very high	94.7	Very high	52 Å²	52	58.5 Å²	58.5	34%	0.338	33%	0.333	S	S	.	.	S	Bend	trans	-71	-22.7	-179	29.8	-36.6	0	0	0	113	T475 F478 Y479	T475-P650 HydrophobicContact CG2-CB 4.06Å; T475-P650 HydrophobicContact CG2-CG 3.89Å; F478-P650 HydrophobicContact CB-CG 3.9Å; F478-P650 HydrophobicContact CD1-CG 3.97Å; F478-P650 HydrophobicContact CG-CG 4Å; Y479-P650 HydrophobicContact CE2-CG 4.04Å
651	I	97.3	Very high	94.8	Very high	14 Å²	14	55 Å²	55	7%	0.072	32%	0.318	C	S	.	.			trans	-130.4	114.7	177.3	-47.8	179.3	0	0	0	106.5	I464 F471 T475 Y479 G511 P649	I464-I651 HydrophobicContact CG2-CD1 3.62Å; F471-I651 HydrophobicContact CE1-CD1 4.34Å; F471-I651 HydrophobicContact CZ-CD1 4.37Å; T475-I651 HydrophobicContact CG2-CD1 4.21Å; T475-I651 HydrophobicContact CG2-CG1 4.42Å; Y479-I651 HydrophobicContact CE2-CD1 4.01Å; Y479-I651 HydrophobicContact CE2-CG1 4.41Å; Y479-I651 VanDerWaalsContact OH-CB 3.24Å; Y479-I651 WeakPolarHBondContact OH-CB 3.41Å; Y479-I651 WeakPolarHBondContact OH-CD1 3.44Å; Y479-I651 WeakPolarHBondContact OH-CG1 3.32Å; G511-I651 VanDerWaalsContact CA-O 3.3Å; G511-I651 WeakPolarHBondContact CA-O 3.08Å; P649-I651 VanDerWaalsContact C-N 3.26Å; P649-I651 PolarHBondContact O-N 3.31Å
652	I	96.7	Very high	94.8	Very high	113 Å²	113	58.9 Å²	58.9	58%	0.579	35%	0.345	S	S	*	.			trans	-101.2	109.5	174.2	-58.7	174	0	0	0	105.9	T648	T648-I652 HydrophobicContact CG2-CD1 4.3Å
653	P	94.8	Very high	94.7	Very high	15 Å²	15	61 Å²	61	10%	0.097	36%	0.356	C	S	.	.			trans	-66.4	147.3	178.8	27	-31.7	0	0	0	110.1	D508 V655	D508-P653 VanDerWaalsContact O-CG 3.32Å; D508-P653 WeakPolarHBondContact O-CG 3.41Å; P653-V655 HydrophobicContact CB-CG2 4.3Å; P653-V655 HydrophobicContact CG-CG2 4.41Å; P653-V655 PolarHBondContact O-N 3.01Å
654	N	94.6	Very high	94.7	Very high	116 Å²	116	58.5 Å²	58.5	62%	0.62	35%	0.345	S	S	*	.			trans	-84.2	108.6	173.5	-173.4	34.2	0	0	0	108.3	N663	N654-N663 PolarHBondContact O-ND2 3.24Å
655	V	94.7	Very high	94.5	Very high	37 Å²	37	54.6 Å²	54.6	22%	0.224	33%	0.331	C	S	.	.			trans	-125.1	107.4	177.8	-177.4	0	0	0	0	107.6	L457 H509 P653 S657 D660	L457-V655 HydrophobicContact CB-CG1 3.93Å; L457-V655 HydrophobicContact CB-CG2 4.15Å; L457-V655 HydrophobicContact CD1-CG1 3.98Å; H509-V655 HydrophobicContact CB-CB 4.28Å; H509-V655 HydrophobicContact CB-CG1 4.44Å; H509-V655 HydrophobicContact CB-CG2 4.16Å; P653-V655 HydrophobicContact CB-CG2 4.3Å; P653-V655 HydrophobicContact CG-CG2 4.41Å; P653-V655 PolarHBondContact O-N 3.01Å; V655-S657 WeakPolarHBondContact CG1-O 3.47Å; V655-D660 HydrophobicContact CG1-CB 4.27Å
656	T	93.6	Very high	94.2	Very high	105 Å²	105	58.7 Å²	58.7	64%	0.644	36%	0.355	S	S	*	.			trans	-84.9	-24	-171.9	60.3	0	0	0	0	113.5	D660	T656-D660 WeakPolarHBondContact CB-OD2 3.33Å; T656-D660 PolarHBondContact N-OD2 3.16Å; T656-D660 PolarHBondContact OG1-OD2 2.87Å
657	S	94.1	Very high	93.9	Very high	53 Å²	53	56.4 Å²	56.4	37%	0.371	34%	0.336	S	S	.	.	S	Bend	trans	-156.8	170.3	179.7	72.9	0	0	0	0	111.5	V655 V659 D660	V655-S657 WeakPolarHBondContact CG1-O 3.47Å; S657-V659 PolarHBondContact O-N 3.31Å; S657-V659 VanDerWaalsContact OG-CG2 3.28Å; S657-V659 WeakPolarHBondContact OG-CG2 3.28Å; S657-V659 PolarHBondContact OG-N 3.47Å; S657-D660 WeakPolarHBondContact O-CB 3.32Å; S657-D660 PolarHBondContact O-N 2.84Å; S657-D660 PolarHBondContact OG-N 2.97Å
658	A	92.7	Very high	93.4	Very high	28 Å²	28	59.4 Å²	59.4	23%	0.231	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.1	176.5	0	0	0	0	0	113.7	T401 L457	T401-A658 WeakPolarHBondContact CB-O 3.46Å; T401-A658 HydrophobicContact CG2-CB 3.91Å; T401-A658 WeakPolarHBondContact CG2-O 3.45Å; T401-A658 PolarHBondContact OG1-O 3.3Å; L457-A658 WeakPolarHBondContact CD1-O 3.3Å
659	V	94.8	Very high	92.6	Very high	51 Å²	51	61.7 Å²	61.7	31%	0.309	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	7.1	179.1	-64.3	0	0	0	0	112.8	I378 T401 S657 T661	I378-V659 HydrophobicContact CD1-CG1 4.35Å; I378-V659 HydrophobicContact CG1-CG1 4.21Å; I378-V659 HydrophobicContact CG2-CB 4.01Å; I378-V659 HydrophobicContact CG2-CG1 4.21Å; T401-V659 HydrophobicContact CG2-CG1 3.95Å; S657-V659 PolarHBondContact O-N 3.31Å; S657-V659 VanDerWaalsContact OG-CG2 3.28Å; S657-V659 WeakPolarHBondContact OG-CG2 3.28Å; S657-V659 PolarHBondContact OG-N 3.47Å; V659-T661 PolarHBondContact O-N 3.46Å
660	D	95.1	Very high	91.8	Very high	18 Å²	18	63.9 Å²	63.9	10%	0.096	37%	0.372	C	S	.	.			trans	-76.8	110.3	-177.7	-172.5	-8.7	0	0	0	111.3	V655 T656 S657 S662	V655-D660 HydrophobicContact CG1-CB 4.27Å; T656-D660 WeakPolarHBondContact CB-OD2 3.33Å; T656-D660 PolarHBondContact N-OD2 3.16Å; T656-D660 PolarHBondContact OG1-OD2 2.87Å; S657-D660 WeakPolarHBondContact O-CB 3.32Å; S657-D660 PolarHBondContact O-N 2.84Å; S657-D660 PolarHBondContact OG-N 2.97Å; D660-S662 WeakPolarHBondContact OD1-CB 3.24Å; D660-S662 PolarHBondContact OD1-N 2.96Å; D660-S662 PolarHBondContact OD1-OG 2.99Å
661	T	94.5	Very high	91	Very high	25 Å²	25	68 Å²	68	15%	0.153	39%	0.392	C	S	.	.			trans	-102.5	12.2	177.1	55.3	0	0	0	0	113.5	D379 L381 L391 V659 N663 F664	D379-T661 HydrophobicContact CB-CG2 3.91Å; D379-T661 WeakPolarHBondContact OD2-CB 3.24Å; D379-T661 PolarHBondContact OD2-OG1 3.49Å; L381-T661 HydrophobicContact CD2-CG2 3.64Å; L391-T661 HydrophobicContact CB-CG2 4.45Å; L391-T661 HydrophobicContact CD2-CG2 3.52Å; V659-T661 PolarHBondContact O-N 3.46Å; T661-N663 PolarHBondContact O-N 3.23Å; T661-F664 WeakPolarHBondContact O-CB 3.28Å; T661-F664 PolarHBondContact O-N 3Å
662	S	93.6	Very high	90.2	Very high	82 Å²	82	73.9 Å²	73.9	57%	0.573	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	-175	60.6	0	0	0	0	115.3	D660 F664	D660-S662 WeakPolarHBondContact OD1-CB 3.24Å; D660-S662 PolarHBondContact OD1-N 2.96Å; D660-S662 PolarHBondContact OD1-OG 2.99Å; S662-F664 VanDerWaalsContact C-N 3.31Å
663	N	93.2	Very high	89.6	Confident	46 Å²	46	75.6 Å²	75.6	25%	0.246	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.2	174.3	-60.5	-55.3	0	0	0	113.6	L457 N654 T661	L457-N663 PolarHBondContact O-ND2 3.5Å; N654-N663 PolarHBondContact O-ND2 3.24Å; T661-N663 PolarHBondContact O-N 3.23Å
664	F	90.8	Very high	89.3	Confident	30 Å²	30	78.9 Å²	78.9	13%	0.132	45%	0.45	C	S	.	.	S	Bend	trans	-113.1	155.9	178.8	-64	-95.4	0	0	0	111.5	L381 C456 L457 I506 T661 S662	L381-F664 HydrophobicContact CB-CD1 4.18Å; L381-F664 HydrophobicContact CB-CE1 4.19Å; L381-F664 HydrophobicContact CD2-CD1 4.19Å; L381-F664 HydrophobicContact CD2-CD2 3.83Å; L381-F664 HydrophobicContact CD2-CE1 4.2Å; L381-F664 HydrophobicContact CD2-CE2 3.84Å; L381-F664 HydrophobicContact CD2-CG 4.01Å; L381-F664 HydrophobicContact CD2-CZ 4.02Å; L381-F664 WeakPolarHBondContact O-CD1 3.42Å; C456-F664 WeakPolarHBondContact O-CZ 3.32Å; L457-F664 HydrophobicContact CD2-CE2 4.32Å; I506-F664 HydrophobicContact CD1-CE1 4.05Å; I506-F664 HydrophobicContact CD1-CZ 4.17Å; T661-F664 WeakPolarHBondContact O-CB 3.28Å; T661-F664 PolarHBondContact O-N 3Å; S662-F664 VanDerWaalsContact C-N 3.31Å
665	D	87.3	Confident	89.1	Confident	66 Å²	66	74 Å²	74	35%	0.353	43%	0.425	S	S	.	.			trans	-67.2	146.7	169.2	-67.4	-35.3	0	0	0	109.7	F667	D665-F667 HydrophobicContact CB-CE2 3.96Å; D665-F667 HydrophobicContact CB-CZ 3.98Å; D665-F667 WeakPolarHBondContact O-CD2 3.5Å; D665-F667 VanDerWaalsContact O-CE2 3.25Å; D665-F667 WeakPolarHBondContact O-CE2 3.26Å
666	S	87.4	Confident	89	Confident	117 Å²	117	76.1 Å²	76.1	82%	0.818	44%	0.44	S	S	*	.			trans	-81.3	126.8	176.4	-175.9	0	0	0	0	110.5
667	F	87.9	Confident	88.9	Confident	51 Å²	51	75.8 Å²	75.8	22%	0.224	43%	0.434	C	S	.	.			trans	-114.1	143.1	176.1	-61.6	-83.1	0	0	0	110.4	T380 V383 D665	T380-F667 HydrophobicContact CG2-CB 3.79Å; T380-F667 HydrophobicContact CG2-CD2 4.21Å; T380-F667 HydrophobicContact CG2-CG 4.2Å; V383-F667 HydrophobicContact CB-CD1 4.4Å; V383-F667 HydrophobicContact CG2-CB 4.24Å; V383-F667 HydrophobicContact CG2-CD1 3.81Å; V383-F667 HydrophobicContact CG2-CE1 4.42Å; V383-F667 HydrophobicContact CG2-CG 4.04Å; D665-F667 HydrophobicContact CB-CE2 3.96Å; D665-F667 HydrophobicContact CB-CZ 3.98Å; D665-F667 WeakPolarHBondContact O-CD2 3.5Å; D665-F667 VanDerWaalsContact O-CE2 3.25Å; D665-F667 WeakPolarHBondContact O-CE2 3.26Å
668	P	86.2	Confident	88.8	Confident	102 Å²	102	74.1 Å²	74.1	66%	0.662	42%	0.421	S	S	*	.			trans	-64.5	153.5	173.2	28.7	-34	0	0	0	111	R388	R388-P668 PolarHBondContact NH2-O 3.44Å
669	E	81.4	Confident	88.6	Confident	159 Å²	159	78.7 Å²	78.7	74%	0.743	45%	0.446	S	S	*	.			trans	-58.2	148	169.5	-67	179.3	179.2	0	0	110.8	N671	E669-N671 PolarHBondContact O-N 3.25Å; E669-N671 PolarHBondContact O-ND2 3.21Å
670	D	80.9	Confident	88.3	Confident	61 Å²	61	80.2 Å²	80.2	33%	0.326	46%	0.459	S	S	.	.			trans	-68.6	106.3	176.4	-166.6	-0.8	0	0	0	109.5	K408 E672	K408-D670 IonicContact NZ-OD2 3.38Å; D670-E672 WeakPolarHBondContact OD1-CB 3.49Å; D670-E672 PolarHBondContact OD1-N 3.39Å
671	N	79.3	Confident	88	Confident	140 Å²	140	81.2 Å²	81.2	75%	0.749	47%	0.473	S	S	*	.			trans	-103.7	9.9	175.8	-68.1	-62	0	0	0	111.8	E669	E669-N671 PolarHBondContact O-N 3.25Å; E669-N671 PolarHBondContact O-ND2 3.21Å
672	E	80.7	Confident	87.9	Confident	137 Å²	137	81.3 Å²	81.3	64%	0.64	47%	0.471	S	S	*	.	S	Bend	trans	-74.1	147.2	177.2	-64.5	-169.3	169	0	0	111.4	K408 D670	K408-E672 IonicContact NZ-OE2 3.1Å; K408-E672 PolarHBondContact NZ-OE2 3.4Å; D670-E672 WeakPolarHBondContact OD1-CB 3.49Å; D670-E672 PolarHBondContact OD1-N 3.39Å
673	D	85.3	Confident	87.9	Confident	148 Å²	148	77.6 Å²	77.6	79%	0.791	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-58.7	138.9	173	-73.7	-45.4	0	0	0	110.4
674	P	87.9	Confident	87.9	Confident	84 Å²	84	80 Å²	80	55%	0.545	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-56.4	137.9	176.9	-24	32.4	0	0	0	111	K447	K447-P674 HydrophobicContact CD-CB 3.93Å
675	P	90.4	Very high	87.8	Confident	14 Å²	14	84.1 Å²	84.1	9%	0.091	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-65.3	160.6	179.6	28.7	-33.7	0	0	0	110.9	K408 R410 K447 Y448	K408-P675 HydrophobicContact CB-CG 4.36Å; K408-P675 HydrophobicContact CD-CG 4.48Å; K408-P675 HydrophobicContact CG-CG 4.25Å; R410-P675 HydrophobicContact CB-CB 4.19Å; K447-P675 HydrophobicContact CB-CG 4.12Å; K447-P675 WeakPolarHBondContact CD-O 3.4Å; K447-P675 PolarHBondContact NZ-O 3.04Å; Y448-P675 HydrophobicContact CE1-CG 4.17Å; Y448-P675 HydrophobicContact CE2-CG 4.37Å; Y448-P675 VanDerWaalsContact CZ-CD 3.48Å; Y448-P675 WeakPolarHBondContact OH-CD 3.18Å
676	P	91.1	Very high	88	Confident	82 Å²	82	82.3 Å²	82.3	53%	0.532	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-55.6	152.2	171.3	-23.1	33.3	0	0	0	111.8
677	D	93.2	Very high	88	Confident	97 Å²	97	80.6 Å²	80.6	52%	0.519	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-65.1	138.2	174	-66.3	-26.4	0	0	0	110.9	S446 K447	S446-D677 WeakPolarHBondContact CB-OD1 3.29Å; S446-D677 CarbonylContact O-C 3.49Å; S446-D677 WeakPolarHBondContact O-CA 3.41Å; S446-D677 PolarHBondContact OG-OD1 3.22Å; K447-D677 WeakPolarHBondContact CE-OD1 3.24Å; K447-D677 VanDerWaalsContact CG-OD1 3.27Å; K447-D677 WeakPolarHBondContact CG-OD1 3.36Å; K447-D677 IonicContact NZ-OD1 3.86Å; K447-D677 PolarHBondContact NZ-OD1 2.9Å
678	D	90.6	Very high	88	Confident	18 Å²	18	82.1 Å²	82.1	10%	0.096	47%	0.468	C	S	.	.			trans	-119.1	105.8	169.3	-178	-5.6	0	0	0	109	K409 V413 S446 S680 W682	K409-D678 HydrophobicContact CB-CB 3.88Å; K409-D678 HydrophobicContact CD-CB 3.95Å; K409-D678 PolarHBondContact NZ-O 2.93Å; V413-D678 WeakPolarHBondContact CG2-OD2 3.23Å; S446-D678 PolarHBondContact O-N 2.92Å; D678-S680 VanDerWaalsContact OD1-CB 3.26Å; D678-S680 WeakPolarHBondContact OD1-CB 3.33Å; D678-S680 PolarHBondContact OD1-N 2.82Å; D678-S680 PolarHBondContact OD1-OG 3.08Å; D678-W682 PolarHBondContact OD2-NE1 2.78Å
679	T	88.3	Confident	88.1	Confident	125 Å²	125	81 Å²	81	77%	0.767	46%	0.457	S	S	*	.			trans	-111.4	20.6	178.4	65.1	0	0	0	0	112.2	G681	T679-G681 PolarHBondContact O-N 3.48Å
680	S	88.3	Confident	88.5	Confident	82 Å²	82	76.4 Å²	76.4	57%	0.573	44%	0.44	S	S	*	.	S	Bend	trans	-68.6	-16	-176.9	60	0	0	0	0	113.8	D678	D678-S680 VanDerWaalsContact OD1-CB 3.26Å; D678-S680 WeakPolarHBondContact OD1-CB 3.33Å; D678-S680 PolarHBondContact OD1-N 2.82Å; D678-S680 PolarHBondContact OD1-OG 3.08Å
681	G	90.4	Very high	89	Confident	39 Å²	39	77.4 Å²	77.4	40%	0.402	45%	0.448	S	S	.	.			trans	82.7	7.1	171.5	0	0	0	0	0	115.2	T679 D683 V684	T679-G681 PolarHBondContact O-N 3.48Å; G681-D683 PolarHBondContact O-N 3.4Å; G681-V684 PolarHBondContact O-N 3.19Å
682	W	92.1	Very high	89.7	Confident	27 Å²	27	73.2 Å²	73.2	10%	0.102	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	177.4	72	-105.4	0	0	0	112	I412 Q418 R422 L449 D678 V684 F686	I412-W682 HydrophobicContact CB-CH2 4.41Å; I412-W682 HydrophobicContact CB-CZ2 4.26Å; I412-W682 HydrophobicContact CD1-CH2 4.13Å; I412-W682 HydrophobicContact CD1-CZ2 4.39Å; I412-W682 HydrophobicContact CG2-CH2 3.7Å; I412-W682 HydrophobicContact CG2-CZ2 3.88Å; Q418-W682 HydrophobicContact CB-CD2 4.08Å; Q418-W682 HydrophobicContact CB-CE3 3.67Å; Q418-W682 HydrophobicContact CB-CH2 4.35Å; Q418-W682 HydrophobicContact CB-CZ3 3.81Å; Q418-W682 HydrophobicContact CG-CD2 3.6Å; Q418-W682 HydrophobicContact CG-CE3 3.73Å; Q418-W682 HydrophobicContact CG-CG 4.05Å; Q418-W682 HydrophobicContact CG-CH2 4.15Å; Q418-W682 HydrophobicContact CG-CZ2 4.05Å; Q418-W682 HydrophobicContact CG-CZ3 4Å; R422-W682 PolarHBondContact NE-O 2.93Å; R422-W682 PolarHBondContact NH2-O 3.39Å; L449-W682 HydrophobicContact CD1-CH2 3.46Å; L449-W682 VanDerWaalsContact CD1-CH2 3.46Å; L449-W682 HydrophobicContact CD1-CZ2 4.1Å; L449-W682 HydrophobicContact CD1-CZ3 4.12Å; D678-W682 PolarHBondContact OD2-NE1 2.78Å; W682-V684 VanDerWaalsContact C-N 3.33Å; W682-V684 PolarHBondContact O-N 3.21Å; W682-F686 HydrophobicContact CZ3-CE2 4.23Å
683	D	92.9	Very high	90.3	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.027	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	24.4	-178	66.8	-33.3	0	0	0	113.2	K409 K444 L449 G681 D685 F686	K409-D683 WeakPolarHBondContact CE-OD2 3.23Å; K409-D683 IonicContact NZ-OD1 2.77Å; K409-D683 IonicContact NZ-OD2 2.9Å; K409-D683 PolarHBondContact NZ-OD2 3.4Å; K444-D683 HydrophobicContact CD-CB 4.49Å; K444-D683 WeakPolarHBondContact CD-O 3.35Å; K444-D683 WeakPolarHBondContact CD-OD2 3.21Å; K444-D683 PolarHBondContact NZ-O 3.45Å; K444-D683 IonicContact NZ-OD1 3.48Å; K444-D683 IonicContact NZ-OD2 3.78Å; L449-D683 HydrophobicContact CD2-CB 3.74Å; G681-D683 PolarHBondContact O-N 3.4Å; D683-D685 PolarHBondContact O-N 3.24Å; D683-D685 VanDerWaalsContact O-N 3.1Å; D683-F686 HydrophobicContact CB-CD2 3.9Å; D683-F686 PolarHBondContact O-N 3.42Å; D683-F686 VanDerWaalsContact O-N 3.12Å
684	V	92.8	Very high	90.7	Very high	97 Å²	97	62.5 Å²	62.5	59%	0.588	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-37.6	-175.7	65.3	0	0	0	0	113.5	K444 G681 W682	K444-V684 VanDerWaalsContact NZ-CA 3.28Å; K444-V684 PolarHBondContact NZ-O 2.66Å; G681-V684 PolarHBondContact O-N 3.19Å; W682-V684 VanDerWaalsContact C-N 3.33Å; W682-V684 PolarHBondContact O-N 3.21Å
685	D	89.9	Confident	90.9	Very high	116 Å²	116	60.8 Å²	60.8	62%	0.62	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.9	-173.7	-57.2	-47.3	0	0	0	114	K425 D683	K425-D685 PolarHBondContact NZ-O 2.91Å; D683-D685 PolarHBondContact O-N 3.24Å; D683-D685 VanDerWaalsContact O-N 3.1Å
686	F	91.1	Very high	91	Very high	27 Å²	27	65 Å²	65	12%	0.118	40%	0.395	C	S	.	.			trans	-74.1	0	177.5	-75	-98.8	0	0	0	111.9	I421 R422 K425 T442 K444 L449 M451 W682 D683	I421-F686 HydrophobicContact CG2-CE1 4.13Å; I421-F686 HydrophobicContact CG2-CZ 3.79Å; R422-F686 HydrophobicContact CG-CE2 3.86Å; R422-F686 HydrophobicContact CG-CZ 4.33Å; K425-F686 HydrophobicContact CB-CE1 4.09Å; K425-F686 HydrophobicContact CB-CZ 4.19Å; K425-F686 HydrophobicContact CD-CD1 3.87Å; K425-F686 HydrophobicContact CD-CD2 4.47Å; K425-F686 HydrophobicContact CD-CE1 3.62Å; K425-F686 HydrophobicContact CD-CE2 4.27Å; K425-F686 HydrophobicContact CD-CG 4.27Å; K425-F686 HydrophobicContact CD-CZ 3.8Å; K425-F686 HydrophobicContact CG-CE1 4.24Å; T442-F686 CarbonylContact C-O 3.55Å; T442-F686 WeakPolarHBondContact CB-O 3.22Å; T442-F686 HydrophobicContact CG2-CD1 4.03Å; T442-F686 HydrophobicContact CG2-CE1 4.46Å; T442-F686 PolarHBondContact OG1-O 3.44Å; K444-F686 HydrophobicContact CB-CB 4.43Å; K444-F686 HydrophobicContact CD-CB 4.39Å; K444-F686 WeakPolarHBondContact CE-OXT 3.22Å; L449-F686 HydrophobicContact CB-CD1 4.43Å; L449-F686 HydrophobicContact CD1-CD1 4.07Å; L449-F686 HydrophobicContact CD1-CD2 4.28Å; L449-F686 HydrophobicContact CD1-CE1 3.92Å; L449-F686 HydrophobicContact CD1-CE2 4.12Å; L449-F686 HydrophobicContact CD1-CG 4.26Å; L449-F686 HydrophobicContact CD1-CZ 3.99Å; L449-F686 HydrophobicContact CD2-CB 4.02Å; L449-F686 HydrophobicContact CD2-CD1 4.19Å; L449-F686 HydrophobicContact CD2-CD2 4.33Å; L449-F686 HydrophobicContact CD2-CG 3.93Å; L449-F686 HydrophobicContact CG-CD1 4.47Å; M451-F686 HydrophobicContact CE-CE1 3.91Å; W682-F686 HydrophobicContact CZ3-CE2 4.23Å; D683-F686 HydrophobicContact CB-CD2 3.9Å; D683-F686 PolarHBondContact O-N 3.42Å; D683-F686 VanDerWaalsContact O-N 3.12Å

Retrieved 686 of 686 residues in 901.5 ms (Link to these results)

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