A0A087XIX9_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XIX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 584 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.7	Low	57	Low	245 Å²	245	149.7 Å²	149.7	100%	1.207	75%	0.75	S	S	*	*				0	94.1	0	-77.9	169.8	163.2	0	0	110.2
2	R	50.2	Low	58.2	Low	255 Å²	255	147.9 Å²	147.9	96%	0.962	74%	0.743	S	S	*	*			trans	-162.7	15.1	165.2	-118.5	174.9	-176.3	178.5	0.6	114.8
3	G	49.6	Very low	59.3	Low	69 Å²	69	141.6 Å²	141.6	71%	0.711	73%	0.728	S	S	*	*	S	Bend	trans	-114.8	-0.5	-172.6	0	0	0	0	0	116.9
4	R	51.1	Low	60.4	Low	239 Å²	239	142.5 Å²	142.5	90%	0.902	72%	0.724	S	S	*	*	S	Bend	trans	-107.5	-4.4	-176.3	-96.9	-178.6	174.9	179.9	-1.7	115.6
5	C	51.8	Low	61.4	Low	94 Å²	94	136.1 Å²	136.1	64%	0.635	70%	0.701	S	S	*	*	S	Bend	trans	-91.9	-22.3	179.8	-136	0	0	0	0	113.9
6	S	55.9	Low	62.4	Low	93 Å²	93	130 Å²	130	65%	0.65	68%	0.682	S	S	*	*	H	α-helix	trans	-76	-33.9	-173.4	173.5	0	0	0	0	114.1	A10	S6-A10 PolarHBondContact O-N 3.34Å
7	R	56.1	Low	63.5	Low	218 Å²	218	128.9 Å²	128.9	82%	0.823	68%	0.676	S	S	*	*	H	α-helix	trans	-73.4	-31.2	-179.2	-85.2	-177.6	171.9	-178.9	-2.4	114.1	V11	R7-V11 WeakPolarHBondContact O-CG2 3.49Å; R7-V11 PolarHBondContact O-N 3.3Å
8	K	58.7	Low	64.4	Low	166 Å²	166	127.9 Å²	127.9	72%	0.722	67%	0.671	S	S	*	*	H	α-helix	trans	-74.8	-37.2	178.7	-72	-169.8	175.4	-171.4	0	112.3	V11 L12	K8-V11 PolarHBondContact O-N 3.43Å; K8-L12 PolarHBondContact O-N 3.39Å
9	L	62.8	Low	65.1	Low	117 Å²	117	127.6 Å²	127.6	61%	0.613	67%	0.669	S	S	*	*	H	α-helix	trans	-65.7	-37.6	173.6	-95.4	130.7	0	0	0	112.4	V11 L12 A13	L9-V11 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-A13 WeakPolarHBondContact O-CB 3.39Å; L9-A13 PolarHBondContact O-N 3.29Å
10	A	65.8	Low	66	Low	50 Å²	50	128.6 Å²	128.6	41%	0.413	66%	0.664	S	S	.	*	H	α-helix	trans	-66.9	-34.7	176.4	0	0	0	0	0	113.2	S6 K14	S6-A10 PolarHBondContact O-N 3.34Å; A10-K14 WeakPolarHBondContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CG 3.26Å; A10-K14 PolarHBondContact O-N 2.7Å; A10-K14 VanDerWaalsContact O-N 3.1Å
11	V	71.4	Confident	66.8	Low	101 Å²	101	127.2 Å²	127.2	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-72.9	-41	176.3	174.4	0	0	0	0	111	R7 K8 L9 K14 A15	R7-V11 WeakPolarHBondContact O-CG2 3.49Å; R7-V11 PolarHBondContact O-N 3.3Å; K8-V11 PolarHBondContact O-N 3.43Å; L9-V11 PolarHBondContact O-N 3.39Å; V11-K14 PolarHBondContact O-N 3.23Å; V11-A15 WeakPolarHBondContact O-CB 3.46Å; V11-A15 PolarHBondContact O-N 3.07Å
12	L	71.1	Confident	68	Low	128 Å²	128	120.9 Å²	120.9	67%	0.67	63%	0.628	S	S	*	*	H	α-helix	trans	-64.3	-40	174.9	-79.3	162.2	0	0	0	112.3	K8 L9 A15 G16	K8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 3.35Å; L12-G16 PolarHBondContact O-N 3.28Å
13	A	73.1	Confident	69.4	Low	66 Å²	66	116 Å²	116	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-65.1	-40.1	175.3	0	0	0	0	0	112.1	L9 G16 L17	L9-A13 WeakPolarHBondContact O-CB 3.39Å; L9-A13 PolarHBondContact O-N 3.29Å; A13-G16 PolarHBondContact O-N 3.16Å; A13-L17 WeakPolarHBondContact O-CB 3.5Å; A13-L17 PolarHBondContact O-N 3.28Å
14	K	73.8	Confident	70.7	Confident	154 Å²	154	115.7 Å²	115.7	67%	0.67	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-39	175.4	-75.5	-178.2	178.8	-168.9	0	112.5	A10 V11 L17 L18	A10-K14 WeakPolarHBondContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CG 3.26Å; A10-K14 PolarHBondContact O-N 2.7Å; A10-K14 VanDerWaalsContact O-N 3.1Å; V11-K14 PolarHBondContact O-N 3.23Å; K14-L17 PolarHBondContact O-N 3.09Å; K14-L18 WeakPolarHBondContact O-CB 3.33Å; K14-L18 PolarHBondContact O-N 3.34Å; K14-L18 VanDerWaalsContact O-N 3.08Å
15	A	75.9	Confident	71.9	Confident	46 Å²	46	105.6 Å²	105.6	38%	0.38	56%	0.562	S	S	.	*	H	α-helix	trans	-66.7	-40.9	175.4	0	0	0	0	0	111.9	V11 L12 L18 L19	V11-A15 WeakPolarHBondContact O-CB 3.46Å; V11-A15 PolarHBondContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 3.35Å; A15-L18 PolarHBondContact O-N 3.04Å; A15-L19 WeakPolarHBondContact O-CG 3.44Å; A15-L19 PolarHBondContact O-N 3.27Å
16	G	78.1	Confident	73	Confident	39 Å²	39	107.4 Å²	107.4	40%	0.402	56%	0.556	S	S	.	*	H	α-helix	trans	-63.4	-40.5	174.8	0	0	0	0	0	113	L12 A13 L18 W20	L12-G16 PolarHBondContact O-N 3.28Å; A13-G16 PolarHBondContact O-N 3.16Å; G16-L18 VanDerWaalsContact C-N 3.34Å; G16-L18 PolarHBondContact O-N 3.42Å; G16-W20 WeakPolarHBondContact O-CB 3.28Å; G16-W20 PolarHBondContact O-N 3.35Å
17	L	80.5	Confident	73.5	Confident	111 Å²	111	106 Å²	106	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-38.4	175.8	-151.8	91.7	0	0	0	111.9	A13 K14 W20 L21	A13-L17 WeakPolarHBondContact O-CB 3.5Å; A13-L17 PolarHBondContact O-N 3.28Å; K14-L17 PolarHBondContact O-N 3.09Å; L17-W20 PolarHBondContact O-N 3.26Å; L17-L21 HydrophobicContact CD2-CD1 4.46Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.08Å
18	L	79.3	Confident	73.8	Confident	112 Å²	112	101 Å²	101	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-69.8	-41	179.5	-130.4	133.1	0	0	0	111.9	K14 A15 G16 W20 L21 L22	K14-L18 WeakPolarHBondContact O-CB 3.33Å; K14-L18 PolarHBondContact O-N 3.34Å; K14-L18 VanDerWaalsContact O-N 3.08Å; A15-L18 PolarHBondContact O-N 3.04Å; G16-L18 VanDerWaalsContact C-N 3.34Å; G16-L18 PolarHBondContact O-N 3.42Å; L18-W20 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-L22 HydrophobicContact CD2-CD1 4.22Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.15Å
19	L	78.9	Confident	73.7	Confident	121 Å²	121	99 Å²	99	63%	0.634	53%	0.526	S	S	*	.	H	α-helix	trans	-65.3	-38.4	173.9	-75.8	165.3	0	0	0	111.9	A15 L22 W23	A15-L19 WeakPolarHBondContact O-CG 3.44Å; A15-L19 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 3.11Å; L19-W23 WeakPolarHBondContact O-CB 3.3Å; L19-W23 PolarHBondContact O-N 2.93Å
20	W	82.8	Confident	72.9	Confident	147 Å²	147	97.8 Å²	97.8	56%	0.557	52%	0.518	S	S	*	.	H	α-helix	trans	-66.6	-41	175.5	-174.5	77.1	0	0	0	112.3	G16 L17 L18 W23 L24	G16-W20 WeakPolarHBondContact O-CB 3.28Å; G16-W20 PolarHBondContact O-N 3.35Å; L17-W20 PolarHBondContact O-N 3.26Å; L18-W20 VanDerWaalsContact C-N 3.34Å; W20-W23 PolarHBondContact O-N 2.9Å; W20-L24 HydrophobicContact CD2-CD1 3.78Å; W20-L24 HydrophobicContact CE3-CD1 3.99Å; W20-L24 HydrophobicContact CH2-CD1 3.48Å; W20-L24 VanDerWaalsContact CH2-CD1 3.48Å; W20-L24 HydrophobicContact CZ2-CD1 3.22Å; W20-L24 HydrophobicContact CZ3-CD1 3.85Å; W20-L24 WeakPolarHBondContact O-CB 3.37Å; W20-L24 PolarHBondContact O-N 3.2Å
21	L	82.6	Confident	71.8	Confident	101 Å²	101	105.9 Å²	105.9	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-37.7	174.9	-73.8	168.6	0	0	0	112.6	L17 L18 L24 G25	L17-L21 HydrophobicContact CD2-CD1 4.46Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 3.04Å; L21-L24 PolarHBondContact O-N 3.44Å; L21-G25 PolarHBondContact O-N 3.44Å
22	L	79.2	Confident	70.3	Confident	111 Å²	111	104.9 Å²	104.9	58%	0.581	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-39.4	173.8	-75.8	167.4	0	0	0	111.7	L18 L19 G25 Y26	L18-L22 HydrophobicContact CD2-CD1 4.22Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.15Å; L19-L22 PolarHBondContact O-N 3.11Å; L22-G25 PolarHBondContact O-N 2.88Å; L22-Y26 WeakPolarHBondContact O-CB 3.32Å; L22-Y26 PolarHBondContact O-N 3.04Å
23	W	78.9	Confident	68.9	Low	154 Å²	154	102.7 Å²	102.7	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-68.6	-37.9	175.7	-171.2	76.3	0	0	0	112.4	L19 W20 Y26 L27	L19-W23 WeakPolarHBondContact O-CB 3.3Å; L19-W23 PolarHBondContact O-N 2.93Å; W20-W23 PolarHBondContact O-N 2.9Å; W23-Y26 PolarHBondContact O-N 3.37Å; W23-L27 HydrophobicContact CD2-CD1 3.94Å; W23-L27 HydrophobicContact CE3-CD1 3.64Å; W23-L27 HydrophobicContact CH2-CD1 3.39Å; W23-L27 HydrophobicContact CZ2-CD1 3.67Å; W23-L27 HydrophobicContact CZ2-CG 4.42Å; W23-L27 HydrophobicContact CZ3-CD1 3.35Å; W23-L27 PolarHBondContact O-N 3.33Å
24	L	76.4	Confident	66.7	Low	61 Å²	61	108.2 Å²	108.2	32%	0.319	55%	0.547	S	S	.	.	H	α-helix	trans	-66.3	-37.8	171.8	-119	121.8	0	0	0	112.3	W20 L21 L27 L28	W20-L24 HydrophobicContact CD2-CD1 3.78Å; W20-L24 HydrophobicContact CE3-CD1 3.99Å; W20-L24 HydrophobicContact CH2-CD1 3.48Å; W20-L24 VanDerWaalsContact CH2-CD1 3.48Å; W20-L24 HydrophobicContact CZ2-CD1 3.22Å; W20-L24 HydrophobicContact CZ3-CD1 3.85Å; W20-L24 WeakPolarHBondContact O-CB 3.37Å; W20-L24 PolarHBondContact O-N 3.2Å; L21-L24 PolarHBondContact O-N 3.44Å; L24-L27 PolarHBondContact O-N 2.96Å; L24-L28 HydrophobicContact CD2-CD1 4.48Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.31Å
25	G	77	Confident	64.7	Low	28 Å²	28	107 Å²	107	29%	0.289	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-42.2	172.4	0	0	0	0	0	112.2	L21 L22 L28 L29	L21-G25 PolarHBondContact O-N 3.44Å; L22-G25 PolarHBondContact O-N 2.88Å; G25-L28 PolarHBondContact O-N 3.49Å; G25-L29 WeakPolarHBondContact O-CB 3.23Å; G25-L29 PolarHBondContact O-N 2.92Å
26	Y	74.3	Confident	62.5	Low	131 Å²	131	109.8 Å²	109.8	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-62	-45.8	174.3	-178.8	-93.6	0	0	0	111.8	L22 W23 L28 L29 E30	L22-Y26 WeakPolarHBondContact O-CB 3.32Å; L22-Y26 PolarHBondContact O-N 3.04Å; W23-Y26 PolarHBondContact O-N 3.37Å; Y26-L28 VanDerWaalsContact C-N 3.33Å; Y26-L28 PolarHBondContact O-N 3.47Å; Y26-L29 PolarHBondContact O-N 3.4Å; Y26-E30 HydrophobicContact CE1-CG 3.93Å; Y26-E30 VanDerWaalsContact CE1-OE1 3.25Å; Y26-E30 WeakPolarHBondContact CE1-OE1 3.49Å; Y26-E30 WeakPolarHBondContact CE1-OE2 3.48Å; Y26-E30 PolarHBondContact O-N 3.1Å; Y26-E30 PolarHBondContact OH-OE1 3.3Å
27	L	66.2	Low	60.3	Low	64 Å²	64	113.8 Å²	113.8	34%	0.335	59%	0.594	S	S	.	*	H	α-helix	trans	-65.3	-33	176	-81.2	171.4	0	0	0	113.5	W23 L24 R31	W23-L27 HydrophobicContact CD2-CD1 3.94Å; W23-L27 HydrophobicContact CE3-CD1 3.64Å; W23-L27 HydrophobicContact CH2-CD1 3.39Å; W23-L27 HydrophobicContact CZ2-CD1 3.67Å; W23-L27 HydrophobicContact CZ2-CG 4.42Å; W23-L27 HydrophobicContact CZ3-CD1 3.35Å; W23-L27 PolarHBondContact O-N 3.33Å; L24-L27 PolarHBondContact O-N 2.96Å; L27-R31 WeakPolarHBondContact O-CB 3.36Å; L27-R31 PolarHBondContact O-N 3.08Å
28	L	62.2	Low	57.9	Low	113 Å²	113	113.5 Å²	113.5	59%	0.592	60%	0.601	S	S	*	*	H	α-helix	trans	-72.9	-34.3	174.4	-77.1	166.5	0	0	0	111.9	L24 G25 Y26 A32	L24-L28 HydrophobicContact CD2-CD1 4.48Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.31Å; G25-L28 PolarHBondContact O-N 3.49Å; Y26-L28 VanDerWaalsContact C-N 3.33Å; Y26-L28 PolarHBondContact O-N 3.47Å; L28-A32 WeakPolarHBondContact O-CB 3.18Å; L28-A32 PolarHBondContact O-N 3.49Å
29	L	57.6	Low	56	Low	123 Å²	123	113.9 Å²	113.9	64%	0.644	61%	0.613	S	S	*	*	H	α-helix	trans	-71	-39	173	-89.5	152.3	0	0	0	112.4	G25 Y26 A32 S33	G25-L29 WeakPolarHBondContact O-CB 3.23Å; G25-L29 PolarHBondContact O-N 2.92Å; Y26-L29 PolarHBondContact O-N 3.4Å; L29-A32 PolarHBondContact O-N 3.27Å; L29-S33 PolarHBondContact O-OG 3.41Å
30	E	45.8	Very low	53.8	Low	93 Å²	93	111.2 Å²	111.2	44%	0.435	61%	0.609	S	S	.	*	H	α-helix	trans	-67.1	-35.8	172.3	-89.6	-172.5	162.4	0	0	112.1	Y26 S33	Y26-E30 HydrophobicContact CE1-CG 3.93Å; Y26-E30 VanDerWaalsContact CE1-OE1 3.25Å; Y26-E30 WeakPolarHBondContact CE1-OE1 3.49Å; Y26-E30 WeakPolarHBondContact CE1-OE2 3.48Å; Y26-E30 PolarHBondContact O-N 3.1Å; Y26-E30 PolarHBondContact OH-OE1 3.3Å; E30-S33 PolarHBondContact O-N 3.49Å
31	R	43	Very low	51.6	Low	219 Å²	219	108.1 Å²	108.1	83%	0.826	62%	0.622	S	S	*	*	H	α-helix	trans	-76	-18.8	174	-91.1	-176	169.9	178.4	-2.3	114.6	L27 S33	L27-R31 WeakPolarHBondContact O-CB 3.36Å; L27-R31 PolarHBondContact O-N 3.08Å; R31-S33 VanDerWaalsContact C-N 3.26Å
32	A	39.9	Very low	49.4	Very low	81 Å²	81	111.3 Å²	111.3	67%	0.669	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-2.1	174.6	0	0	0	0	0	113.2	L28 L29	L28-A32 WeakPolarHBondContact O-CB 3.18Å; L28-A32 PolarHBondContact O-N 3.49Å; L29-A32 PolarHBondContact O-N 3.27Å
33	S	40.9	Very low	47.5	Very low	82 Å²	82	110.6 Å²	110.6	57%	0.573	63%	0.631	S	S	*	*	S	Bend	trans	-113.8	44.6	-176.1	-50.6	0	0	0	0	112.5	L29 E30 R31	L29-S33 PolarHBondContact O-OG 3.41Å; E30-S33 PolarHBondContact O-N 3.49Å; R31-S33 VanDerWaalsContact C-N 3.26Å
34	F	27.8	Very low	45.6	Very low	181 Å²	181	109.8 Å²	109.8	79%	0.794	63%	0.634	S	S	*	*			trans	-151.5	101.9	166.4	-78.8	-76.2	0	0	0	110.9
35	P	31.9	Very low	43.8	Very low	128 Å²	128	113.8 Å²	113.8	83%	0.831	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-78.2	118.2	155.9	-2.9	21.4	0	0	0	108.2
36	S	28.9	Very low	41.9	Very low	106 Å²	106	118 Å²	118	74%	0.741	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-56.7	133.3	165.1	50.5	0	0	0	0	110.7	S38	S36-S38 PolarHBondContact O-N 2.62Å
37	S	31.8	Very low	40	Very low	123 Å²	123	118 Å²	118	86%	0.86	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-58.9	118.7	173.7	56.5	0	0	0	0	112.6
38	S	30.8	Very low	39	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	68%	0.678	S	S	*	*			trans	-161.2	115.6	149.8	56.5	0	0	0	0	110.9	S36	S36-S38 PolarHBondContact O-N 2.62Å
39	S	39	Very low	37.9	Very low	120 Å²	120	119.4 Å²	119.4	84%	0.839	68%	0.676	S	S	*	*			trans	53	95.7	163.9	69	0	0	0	0	118.9
40	A	33.6	Very low	36.8	Very low	65 Å²	65	118.8 Å²	118.8	54%	0.537	67%	0.669	S	S	.	*			trans	-157.7	92.1	156.5	0	0	0	0	0	109
41	G	35.6	Very low	36.5	Very low	81 Å²	81	117 Å²	117	84%	0.835	67%	0.671	S	S	*	*	S	Bend	trans	-99	-0.1	177.5	0	0	0	0	0	114.1
42	E	37.5	Very low	36.6	Very low	168 Å²	168	113.7 Å²	113.7	79%	0.785	66%	0.658	S	S	*	*	S	Bend	trans	-124	-27	-173.7	-67.8	179.4	162.5	0	0	113
43	D	37.5	Very low	36.6	Very low	97 Å²	97	115.8 Å²	115.8	52%	0.519	65%	0.654	S	S	.	*	H	α-helix	trans	-80.8	-26.1	-175.9	-70	-35.2	0	0	0	115.1	E46 Q47	D43-E46 PolarHBondContact O-N 3.34Å; D43-Q47 WeakPolarHBondContact O-CG 3.42Å; D43-Q47 PolarHBondContact O-N 3.24Å
44	E	39.4	Very low	36.4	Very low	136 Å²	136	117.2 Å²	117.2	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-72.7	-27.8	179.7	-81.6	-171	167.4	0	0	112.9	N48	E44-N48 VanDerWaalsContact O-CB 3.29Å; E44-N48 WeakPolarHBondContact O-CB 3.4Å; E44-N48 PolarHBondContact O-N 2.93Å; E44-N48 PolarHBondContact O-ND2 3.16Å
45	E	40.2	Very low	37.3	Very low	145 Å²	145	111.6 Å²	111.6	68%	0.678	64%	0.642	S	S	*	*	H	α-helix	trans	-73.4	-39	176.8	-151.7	172.1	-161.3	0	0	110.2	N48 L49	E45-N48 PolarHBondContact O-N 3.38Å; E45-L49 WeakPolarHBondContact O-CB 3.38Å; E45-L49 WeakPolarHBondContact O-CD1 3.29Å; E45-L49 VanDerWaalsContact O-CG 3.3Å; E45-L49 WeakPolarHBondContact O-CG 3.47Å; E45-L49 PolarHBondContact O-N 3.32Å
46	E	36.6	Very low	37.8	Very low	118 Å²	118	108.8 Å²	108.8	55%	0.551	62%	0.62	S	S	*	*	H	α-helix	trans	-70.4	-39.7	177.3	-131.2	179.3	-168.9	0	0	112.4	D43 L49 Q50	D43-E46 PolarHBondContact O-N 3.34Å; E46-L49 PolarHBondContact O-N 2.87Å; E46-Q50 WeakPolarHBondContact O-CB 3.43Å; E46-Q50 WeakPolarHBondContact O-CG 3.37Å; E46-Q50 PolarHBondContact O-N 3.25Å
47	Q	34	Very low	38.4	Very low	130 Å²	130	111.2 Å²	111.2	61%	0.607	62%	0.619	S	S	*	*	H	α-helix	trans	-68.8	-36.2	174.1	-74.3	-179	-2.9	0	0	112.6	D43 Q50 A51	D43-Q47 WeakPolarHBondContact O-CG 3.42Å; D43-Q47 PolarHBondContact O-N 3.24Å; Q47-Q50 PolarHBondContact O-N 2.97Å; Q47-A51 VanDerWaalsContact O-CB 3.28Å; Q47-A51 WeakPolarHBondContact O-CB 3.23Å; Q47-A51 PolarHBondContact O-N 3.43Å
48	N	44.7	Very low	39.1	Very low	104 Å²	104	114 Å²	114	56%	0.556	62%	0.618	S	S	*	*	H	α-helix	trans	-70.2	-34.7	172.7	-88.5	-50.7	0	0	0	112.7	E44 E45 R52	E44-N48 VanDerWaalsContact O-CB 3.29Å; E44-N48 WeakPolarHBondContact O-CB 3.4Å; E44-N48 PolarHBondContact O-N 2.93Å; E44-N48 PolarHBondContact O-ND2 3.16Å; E45-N48 PolarHBondContact O-N 3.38Å; N48-R52 VanDerWaalsContact O-CB 3.23Å; N48-R52 WeakPolarHBondContact O-CB 3.35Å; N48-R52 WeakPolarHBondContact O-CG 3.3Å; N48-R52 PolarHBondContact O-N 3.12Å
49	L	40	Very low	40	Very low	102 Å²	102	111.6 Å²	111.6	53%	0.534	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-43.3	172.7	-84	158	0	0	0	111.3	E45 E46 R52 Q53	E45-L49 WeakPolarHBondContact O-CB 3.38Å; E45-L49 WeakPolarHBondContact O-CD1 3.29Å; E45-L49 VanDerWaalsContact O-CG 3.3Å; E45-L49 WeakPolarHBondContact O-CG 3.47Å; E45-L49 PolarHBondContact O-N 3.32Å; E46-L49 PolarHBondContact O-N 2.87Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-Q53 WeakPolarHBondContact O-CB 3.29Å; L49-Q53 PolarHBondContact O-N 2.9Å
50	Q	34.4	Very low	40.9	Very low	110 Å²	110	108 Å²	108	51%	0.514	58%	0.584	S	S	.	*	H	α-helix	trans	-69	-43	176.9	-77.7	178.2	-3.1	0	0	112.7	E46 Q47 R52 Q53 L54	E46-Q50 WeakPolarHBondContact O-CB 3.43Å; E46-Q50 WeakPolarHBondContact O-CG 3.37Å; E46-Q50 PolarHBondContact O-N 3.25Å; Q47-Q50 PolarHBondContact O-N 2.97Å; Q50-R52 VanDerWaalsContact C-N 3.31Å; Q50-R52 PolarHBondContact O-N 3.43Å; Q50-Q53 PolarHBondContact O-N 3.47Å; Q50-L54 WeakPolarHBondContact O-CD1 3.43Å; Q50-L54 WeakPolarHBondContact O-CG 3.34Å; Q50-L54 PolarHBondContact O-N 3.49Å
51	A	38.4	Very low	42.2	Very low	56 Å²	56	110.2 Å²	110.2	46%	0.463	59%	0.585	S	S	.	*	H	α-helix	trans	-64.2	-35.6	174.7	0	0	0	0	0	112	Q47 A55	Q47-A51 VanDerWaalsContact O-CB 3.28Å; Q47-A51 WeakPolarHBondContact O-CB 3.23Å; Q47-A51 PolarHBondContact O-N 3.43Å; A51-A55 PolarHBondContact O-N 2.98Å; A51-A55 VanDerWaalsContact O-N 3.11Å
52	R	45.8	Very low	43.3	Very low	150 Å²	150	110.5 Å²	110.5	57%	0.566	57%	0.568	S	S	*	*	H	α-helix	trans	-66.6	-40	170.9	-88	177.3	161	175.7	-3.2	112.7	N48 L49 Q50 L56	N48-R52 VanDerWaalsContact O-CB 3.23Å; N48-R52 WeakPolarHBondContact O-CB 3.35Å; N48-R52 WeakPolarHBondContact O-CG 3.3Å; N48-R52 PolarHBondContact O-N 3.12Å; L49-R52 PolarHBondContact O-N 3.23Å; Q50-R52 VanDerWaalsContact C-N 3.31Å; Q50-R52 PolarHBondContact O-N 3.43Å; R52-L56 WeakPolarHBondContact O-CB 3.32Å; R52-L56 VanDerWaalsContact O-CD1 3.3Å; R52-L56 WeakPolarHBondContact O-CD1 3.34Å; R52-L56 VanDerWaalsContact O-CG 3.26Å; R52-L56 WeakPolarHBondContact O-CG 3.46Å; R52-L56 PolarHBondContact O-N 3.34Å; R52-L56 VanDerWaalsContact O-N 3.15Å
53	Q	38.8	Very low	44.7	Very low	125 Å²	125	103.7 Å²	103.7	58%	0.584	54%	0.543	S	S	*	.	H	α-helix	trans	-64.1	-40.9	175.1	-99.9	171.6	-32.4	0	0	111.9	L49 Q50 L56 E57	L49-Q53 WeakPolarHBondContact O-CB 3.29Å; L49-Q53 PolarHBondContact O-N 2.9Å; Q50-Q53 PolarHBondContact O-N 3.47Å; Q53-L56 PolarHBondContact O-N 3.07Å; Q53-E57 PolarHBondContact O-N 3.46Å; Q53-E57 VanDerWaalsContact O-N 3.07Å
54	L	36.8	Very low	46.6	Very low	111 Å²	111	105 Å²	105	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-67	-40.8	178.8	-76	158.5	0	0	0	112.7	Q50 L56 E57 E58	Q50-L54 WeakPolarHBondContact O-CD1 3.43Å; Q50-L54 WeakPolarHBondContact O-CG 3.34Å; Q50-L54 PolarHBondContact O-N 3.49Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 3.03Å; L54-E57 PolarHBondContact O-N 3.33Å; L54-E58 PolarHBondContact O-N 2.92Å
55	A	46.8	Very low	48.9	Very low	64 Å²	64	100.2 Å²	100.2	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-68.7	-28.7	174.5	0	0	0	0	0	113.1	A51	A51-A55 PolarHBondContact O-N 2.98Å; A51-A55 VanDerWaalsContact O-N 3.11Å
56	L	43.3	Very low	51.3	Low	69 Å²	69	95 Å²	95	36%	0.361	51%	0.506	S	S	.	.	H	α-helix	trans	-72	-36.8	175.1	-79.4	162	0	0	0	112	R52 Q53 L54 S59	R52-L56 WeakPolarHBondContact O-CB 3.32Å; R52-L56 VanDerWaalsContact O-CD1 3.3Å; R52-L56 WeakPolarHBondContact O-CD1 3.34Å; R52-L56 VanDerWaalsContact O-CG 3.26Å; R52-L56 WeakPolarHBondContact O-CG 3.46Å; R52-L56 PolarHBondContact O-N 3.34Å; R52-L56 VanDerWaalsContact O-N 3.15Å; Q53-L56 PolarHBondContact O-N 3.07Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 3.03Å; L56-S59 PolarHBondContact O-N 3.22Å; L56-S59 PolarHBondContact O-OG 2.95Å; L56-S59 VanDerWaalsContact O-OG 3.04Å
57	E	40.9	Very low	54.1	Low	157 Å²	157	96.2 Å²	96.2	73%	0.734	51%	0.505	S	S	*	.	H	α-helix	trans	-68	-31.3	177.3	-77.3	-176.3	163.8	0	0	113.1	Q53 L54 S59	Q53-E57 PolarHBondContact O-N 3.46Å; Q53-E57 VanDerWaalsContact O-N 3.07Å; L54-E57 PolarHBondContact O-N 3.33Å; E57-S59 VanDerWaalsContact C-N 3.26Å; E57-S59 PolarHBondContact O-N 3.02Å
58	E	46.1	Very low	57	Low	180 Å²	180	91.5 Å²	91.5	84%	0.841	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.9	177.8	-77	-170.3	156.1	0	0	114.2	L54	L54-E58 PolarHBondContact O-N 2.92Å
59	S	50.3	Low	59.4	Low	55 Å²	55	87.9 Å²	87.9	39%	0.385	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-2.8	-171.8	69.5	0	0	0	0	115.8	L56 E57 G63	L56-S59 PolarHBondContact O-N 3.22Å; L56-S59 PolarHBondContact O-OG 2.95Å; L56-S59 VanDerWaalsContact O-OG 3.04Å; E57-S59 VanDerWaalsContact C-N 3.26Å; E57-S59 PolarHBondContact O-N 3.02Å; S59-G63 PolarHBondContact O-N 2.88Å
60	G	57.3	Low	62.1	Low	45 Å²	45	86.1 Å²	86.1	46%	0.464	45%	0.454	S	S	.	.	H	α-helix	trans	60.4	-169.9	-177.8	0	0	0	0	0	114.1	D62 G63	G60-D62 PolarHBondContact O-N 3.45Å; G60-G63 PolarHBondContact O-N 3.36Å
61	I	61.1	Low	65	Low	111 Å²	111	84.2 Å²	84.2	57%	0.569	45%	0.45	S	S	*	.	H	α-helix	trans	-62.5	-32.2	-177.2	-61.9	170.9	0	0	0	111.8	Q64 L65 R138	I61-Q64 PolarHBondContact O-N 3.35Å; I61-L65 PolarHBondContact O-N 2.87Å; I61-R138 VanDerWaalsContact CG2-NH2 3.27Å
62	D	58.8	Low	67.8	Low	87 Å²	87	83.1 Å²	83.1	47%	0.465	44%	0.435	S	S	.	.	H	α-helix	trans	-72.1	-32.5	-177.7	-66.6	-20.1	0	0	0	112.5	G60 Q64 L65 A66	G60-D62 PolarHBondContact O-N 3.45Å; D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.35Å; D62-L65 PolarHBondContact O-N 3.45Å; D62-L65 VanDerWaalsContact O-N 3.16Å; D62-A66 PolarHBondContact O-N 2.95Å; D62-A66 VanDerWaalsContact O-N 3.08Å
63	G	66.8	Low	70.2	Confident	25 Å²	25	79 Å²	79	26%	0.258	43%	0.428	S	S	.	.	H	α-helix	trans	-65.2	-31.4	173.6	0	0	0	0	0	113.4	S59 G60	S59-G63 PolarHBondContact O-N 2.88Å; G60-G63 PolarHBondContact O-N 3.36Å
64	Q	77	Confident	72.9	Confident	124 Å²	124	78.8 Å²	78.8	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-69.9	-35	171.9	-70.9	-174.5	-5.3	0	0	112.5	I61 D62 R67	I61-Q64 PolarHBondContact O-N 3.35Å; D62-Q64 VanDerWaalsContact C-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.35Å; Q64-R67 VanDerWaalsContact O-CB 3.29Å; Q64-R67 WeakPolarHBondContact O-CB 3.41Å; Q64-R67 PolarHBondContact O-N 2.95Å
65	L	89.1	Confident	75.7	Confident	37 Å²	37	75.5 Å²	75.5	19%	0.194	43%	0.426	C	S	.	.	H	α-helix	trans	-73.7	-29.1	179.5	-65.3	179.1	0	0	0	112.9	I61 D62 R67 Y137 R138 I171	I61-L65 PolarHBondContact O-N 2.87Å; D62-L65 PolarHBondContact O-N 3.45Å; D62-L65 VanDerWaalsContact O-N 3.16Å; L65-R67 PolarHBondContact O-N 2.9Å; L65-Y137 HydrophobicContact CB-CD2 4.16Å; L65-Y137 HydrophobicContact CB-CG 4.1Å; L65-R138 HydrophobicContact CD1-CG 4.06Å; L65-I171 HydrophobicContact CD2-CD1 3.97Å; L65-I171 WeakPolarHBondContact O-CG2 3.14Å
66	A	90.6	Very high	78.1	Confident	35 Å²	35	76.4 Å²	76.4	29%	0.289	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.2	174.6	0	0	0	0	0	113.7	D62 Y137	D62-A66 PolarHBondContact O-N 2.95Å; D62-A66 VanDerWaalsContact O-N 3.08Å; A66-Y137 HydrophobicContact CB-CE1 4.42Å; A66-Y137 HydrophobicContact CB-CE2 3.77Å; A66-Y137 WeakPolarHBondContact CB-OH 3.43Å
67	R	94.3	Very high	80.5	Confident	143 Å²	143	75.9 Å²	75.9	54%	0.54	43%	0.428	S	S	.	.			trans	-63.5	131.9	-175.1	-172.2	-180	174.2	173.1	-0.8	111.4	Q64 L65 P169 A170	Q64-R67 VanDerWaalsContact O-CB 3.29Å; Q64-R67 WeakPolarHBondContact O-CB 3.41Å; Q64-R67 PolarHBondContact O-N 2.95Å; L65-R67 PolarHBondContact O-N 2.9Å; R67-P169 WeakPolarHBondContact O-CA 3.33Å; R67-A170 PolarHBondContact O-N 2.77Å
68	P	96.5	Very high	83	Confident	32 Å²	32	75.7 Å²	75.7	21%	0.208	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-69.5	169.7	176.1	30	-36.9	0	0	0	112.7	Y70 E166 T168	P68-Y70 VanDerWaalsContact C-N 3.33Å; P68-Y70 WeakPolarHBondContact CB-O 3.49Å; P68-Y70 WeakPolarHBondContact CG-O 3.37Å; P68-E166 VanDerWaalsContact CB-O 3.31Å; P68-E166 WeakPolarHBondContact CB-O 3.45Å; P68-E166 WeakPolarHBondContact CG-O 3.49Å; P68-T168 VanDerWaalsContact CA-O 3.31Å; P68-T168 WeakPolarHBondContact CA-O 3.29Å
69	V	94.2	Very high	85.4	Confident	27 Å²	27	68.3 Å²	68.3	16%	0.164	40%	0.401	C	S	.	.	S	Bend	trans	-63.7	-42.7	177.1	-175.6	0	0	0	0	110.6	L165 A170 L173	V69-L165 HydrophobicContact CB-CD2 4.28Å; V69-L165 HydrophobicContact CG1-CD2 4.31Å; V69-L165 PolarHBondContact N-O 3.44Å; V69-A170 HydrophobicContact CG2-CB 3.95Å; V69-L173 HydrophobicContact CG2-CB 4.35Å; V69-L173 HydrophobicContact CG2-CD2 3.9Å
70	Y	97.1	Very high	87.6	Confident	65 Å²	65	68.3 Å²	68.3	26%	0.255	40%	0.4	S	S	.	.	S	Bend	trans	-122.5	144.5	174.8	-68.8	-88.3	0	0	0	110.2	P68 L165 E166 L199 Q200	P68-Y70 VanDerWaalsContact C-N 3.33Å; P68-Y70 WeakPolarHBondContact CB-O 3.49Å; P68-Y70 WeakPolarHBondContact CG-O 3.37Å; Y70-L165 HydrophobicContact CD2-CB 3.91Å; Y70-L165 HydrophobicContact CD2-CD1 3.95Å; Y70-L165 HydrophobicContact CD2-CD2 4.06Å; Y70-L165 HydrophobicContact CD2-CG 4.19Å; Y70-L165 HydrophobicContact CE2-CD1 3.98Å; Y70-L165 HydrophobicContact CE2-CD2 4.1Å; Y70-L165 HydrophobicContact CE2-CG 4.48Å; Y70-L165 PolarHBondContact N-O 2.99Å; Y70-E166 WeakPolarHBondContact O-CA 3.36Å; Y70-L199 WeakPolarHBondContact OH-CA 3.42Å; Y70-Q200 HydrophobicContact CE2-CB 4.37Å; Y70-Q200 PolarHBondContact OH-N 3.23Å
71	V	95.9	Very high	89.5	Confident	71 Å²	71	66.4 Å²	66.4	43%	0.43	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-94.6	129.6	177.4	-178.3	0	0	0	0	107.9
72	K	95.8	Very high	91.3	Very high	33 Å²	33	61.6 Å²	61.6	14%	0.143	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-56	142.1	173.9	-71.1	-172.4	169.4	-73	0	110.6	H119 R120 E166	K72-H119 PolarHBondContact NZ-O 3.32Å; K72-R120 PolarHBondContact NZ-O 3.35Å; K72-E166 HydrophobicContact CD-CB 4.49Å; K72-E166 WeakPolarHBondContact CE-OE2 3.41Å; K72-E166 HydrophobicContact CG-CB 3.76Å; K72-E166 HydrophobicContact CG-CG 4.07Å; K72-E166 WeakPolarHBondContact CG-OE2 3.34Å; K72-E166 IonicContact NZ-OE2 3.66Å; K72-E166 PolarHBondContact NZ-OE2 3.41Å
73	P	96.5	Very high	93.2	Very high	64 Å²	64	61.9 Å²	61.9	42%	0.416	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-54.6	156.4	163.6	-21.6	33.5	0	0	0	110.6	A75 H119 H121	P73-A75 PolarHBondContact O-N 2.96Å; P73-H119 HydrophobicContact CG-CB 4.2Å; P73-H121 PolarHBondContact O-CE1 2.96Å
74	P	96.5	Very high	94.6	Very high	119 Å²	119	60.9 Å²	60.9	77%	0.773	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-54	139.8	173.4	-24	34.3	0	0	0	111.5	D76	P74-D76 PolarHBondContact O-N 3.44Å
75	A	95.9	Very high	95.6	Very high	42 Å²	42	60.4 Å²	60.4	35%	0.347	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.9	133.6	178.4	0	0	0	0	0	110.9	P73 E82 W83	P73-A75 PolarHBondContact O-N 2.96Å; A75-E82 WeakPolarHBondContact CA-OE2 3.42Å; A75-E82 HydrophobicContact CB-CG 4.4Å; A75-W83 HydrophobicContact CB-CH2 4.06Å; A75-W83 HydrophobicContact CB-CZ2 3.41Å; A75-W83 VanDerWaalsContact CB-CZ2 3.41Å
76	D	95.8	Very high	96	Very high	84 Å²	84	60 Å²	60	45%	0.449	34%	0.335	S	S	.	.			trans	-105.5	105	171.8	177.9	0.5	0	0	0	108.8	P74 N78 A79 E82	P74-D76 PolarHBondContact O-N 3.44Å; D76-N78 PolarHBondContact O-N 2.99Å; D76-N78 PolarHBondContact OD1-N 3.08Å; D76-A79 HydrophobicContact CB-CB 3.9Å; D76-A79 WeakPolarHBondContact O-CB 3.34Å; D76-A79 PolarHBondContact O-N 3.5Å; D76-E82 PolarHBondContact N-OE2 3Å; D76-E82 VanDerWaalsContact N-OE2 3.09Å; D76-E82 WeakPolarHBondContact O-CB 3.42Å; D76-E82 VanDerWaalsContact O-CG 3.27Å; D76-E82 WeakPolarHBondContact O-CG 3.34Å
77	A	93.1	Very high	96.3	Very high	58 Å²	58	58.8 Å²	58.8	48%	0.479	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.8	-177.6	0	0	0	0	0	113.9	R85	A77-R85 PolarHBondContact O-NH2 3.12Å
78	N	94.4	Very high	96.3	Very high	153 Å²	153	59.3 Å²	59.3	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.4	176.9	-59.7	-48.8	0	0	0	113.1	D76	D76-N78 PolarHBondContact O-N 2.99Å; D76-N78 PolarHBondContact OD1-N 3.08Å
79	A	96.7	Very high	96.1	Very high	24 Å²	24	60.4 Å²	60.4	20%	0.198	34%	0.336	C	S	.	.	S	Bend	trans	-68.4	143.2	178.9	0	0	0	0	0	111.5	D76 G81 E82	D76-A79 HydrophobicContact CB-CB 3.9Å; D76-A79 WeakPolarHBondContact O-CB 3.34Å; D76-A79 PolarHBondContact O-N 3.5Å; A79-G81 PolarHBondContact O-N 2.91Å; A79-E82 HydrophobicContact CB-CB 4.42Å; A79-E82 PolarHBondContact O-N 2.9Å
80	P	97.1	Very high	96	Very high	55 Å²	55	67.4 Å²	67.4	36%	0.357	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	128.8	177.1	-24.9	34.1	0	0	0	111.9	E82 T87 I116	P80-E82 PolarHBondContact O-N 3.4Å; P80-T87 HydrophobicContact CB-CG2 3.85Å; P80-I116 HydrophobicContact CB-CG1 4.33Å
81	G	97.2	Very high	95.9	Very high	6 Å²	6	66.5 Å²	66.5	6%	0.062	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	7.2	174.7	0	0	0	0	0	115.8	A79 G84 R85 T87 R120	A79-G81 PolarHBondContact O-N 2.91Å; G81-G84 PolarHBondContact O-N 3.45Å; G81-G84 VanDerWaalsContact O-N 3.08Å; G81-R85 WeakPolarHBondContact CA-O 3.45Å; G81-T87 WeakPolarHBondContact CA-OG1 3.31Å; G81-T87 PolarHBondContact N-OG1 3.48Å; G81-R120 VanDerWaalsContact O-CD 3.26Å; G81-R120 WeakPolarHBondContact O-CD 3.47Å; G81-R120 PolarHBondContact O-NH1 2.7Å
82	E	98.2	Very high	95.9	Very high	9 Å²	9	65 Å²	65	4%	0.042	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	142.4	176.5	-169.6	67.4	-80	0	0	110.7	A75 D76 A79 P80 G84 R85 H121	A75-E82 WeakPolarHBondContact CA-OE2 3.42Å; A75-E82 HydrophobicContact CB-CG 4.4Å; D76-E82 PolarHBondContact N-OE2 3Å; D76-E82 VanDerWaalsContact N-OE2 3.09Å; D76-E82 WeakPolarHBondContact O-CB 3.42Å; D76-E82 VanDerWaalsContact O-CG 3.27Å; D76-E82 WeakPolarHBondContact O-CG 3.34Å; A79-E82 HydrophobicContact CB-CB 4.42Å; A79-E82 PolarHBondContact O-N 2.9Å; P80-E82 PolarHBondContact O-N 3.4Å; E82-G84 PolarHBondContact O-N 3.07Å; E82-R85 PolarHBondContact O-N 2.92Å; E82-R85 PolarHBondContact O-NE 3.1Å; E82-H121 WeakPolarHBondContact OE1-CB 3.3Å; E82-H121 IonicContact OE1-CG 2.75Å; E82-H121 PolarHBondContact OE1-N 3.34Å; E82-H121 IonicContact OE1-ND1 3.48Å; E82-H121 PolarHBondContact OE1-ND1 3.01Å; E82-H121 IonicContact OE2-ND1 3.75Å
83	W	97.9	Very high	95.9	Very high	93 Å²	93	68.5 Å²	68.5	35%	0.352	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	64.4	10.8	-172.8	-55.4	108.2	0	0	0	115.1	A75 H121 Q123	A75-W83 HydrophobicContact CB-CH2 4.06Å; A75-W83 HydrophobicContact CB-CZ2 3.41Å; A75-W83 VanDerWaalsContact CB-CZ2 3.41Å; W83-H121 CarbonylContact C-O 3.53Å; W83-H121 WeakPolarHBondContact CA-O 3.13Å; W83-H121 HydrophobicContact CD2-CB 4.19Å; W83-H121 HydrophobicContact CE3-CB 3.61Å; W83-H121 HydrophobicContact CH2-CB 4.04Å; W83-H121 HydrophobicContact CZ3-CB 3.53Å; W83-H121 PolarHBondContact N-O 3.42Å; W83-Q123 HydrophobicContact CB-CB 4.32Å; W83-Q123 HydrophobicContact CE3-CB 4.36Å; W83-Q123 PolarHBondContact O-N 2.93Å
84	G	97.4	Very high	95.9	Very high	5 Å²	5	71.5 Å²	71.5	5%	0.052	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	17.3	-178	0	0	0	0	0	114	G81 E82 H121 E271 F272	G81-G84 PolarHBondContact O-N 3.45Å; G81-G84 VanDerWaalsContact O-N 3.08Å; E82-G84 PolarHBondContact O-N 3.07Å; G84-H121 PolarHBondContact N-O 2.85Å; G84-E271 CarbonylContact O-C 3.57Å; G84-E271 WeakPolarHBondContact O-CA 3.5Å; G84-F272 PolarHBondContact O-N 2.97Å
85	R	97.6	Very high	95.8	Very high	113 Å²	113	69.1 Å²	69.1	43%	0.426	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-72.1	152.5	177.9	-64.3	179.7	-61.3	-136.9	3.3	111.8	A77 G81 E82 T87	A77-R85 PolarHBondContact O-NH2 3.12Å; G81-R85 WeakPolarHBondContact CA-O 3.45Å; E82-R85 PolarHBondContact O-N 2.92Å; E82-R85 PolarHBondContact O-NE 3.1Å; R85-T87 PolarHBondContact O-N 3.12Å
86	A	97.8	Very high	95.8	Very high	29 Å²	29	72.4 Å²	72.4	24%	0.24	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-54.4	132.8	172.3	0	0	0	0	0	111.6	N269 E271	A86-N269 HydrophobicContact CB-CB 4.39Å; A86-E271 HydrophobicContact CB-CB 3.94Å; A86-E271 HydrophobicContact CB-CG 4.22Å
87	T	97	Very high	95.9	Very high	9 Å²	9	74.5 Å²	74.5	6%	0.055	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-99.7	123.7	175.7	-60.8	0	0	0	0	110.3	P80 G81 R85 L89 V112 I116 N269	P80-T87 HydrophobicContact CB-CG2 3.85Å; G81-T87 WeakPolarHBondContact CA-OG1 3.31Å; G81-T87 PolarHBondContact N-OG1 3.48Å; R85-T87 PolarHBondContact O-N 3.12Å; T87-L89 HydrophobicContact CG2-CD2 3.89Å; T87-L89 HydrophobicContact CG2-CG 4.16Å; T87-V112 HydrophobicContact CG2-CG1 3.95Å; T87-I116 HydrophobicContact CG2-CG1 4.43Å; T87-I116 WeakPolarHBondContact OG1-CD1 3.39Å; T87-N269 PolarHBondContact N-O 3.13Å
88	H	93.2	Very high	96	Very high	154 Å²	154	76.8 Å²	76.8	71%	0.713	39%	0.39	S	S	*	.			trans	-119.8	124.3	173.8	-62.8	-73.9	0	0	0	109.3
89	L	92.3	Very high	96.1	Very high	56 Å²	56	71.3 Å²	71.3	29%	0.293	36%	0.36	S	S	.	.			trans	-109.2	137.5	-179.4	-56.8	178.3	0	0	0	109.6	T87 L91 Y111 V112 K115	T87-L89 HydrophobicContact CG2-CD2 3.89Å; T87-L89 HydrophobicContact CG2-CG 4.16Å; L89-L91 HydrophobicContact CB-CD2 3.48Å; L89-L91 VanDerWaalsContact CB-CD2 3.48Å; L89-L91 HydrophobicContact CB-CG 4.03Å; L89-L91 HydrophobicContact CD1-CD2 4.16Å; L89-L91 HydrophobicContact CG-CD2 4.48Å; L89-L91 PolarHBondContact O-N 3.02Å; L89-Y111 HydrophobicContact CD1-CD1 3.96Å; L89-Y111 HydrophobicContact CD1-CE1 3.81Å; L89-V112 HydrophobicContact CD1-CG2 3.92Å; L89-V112 HydrophobicContact CG-CG2 4.44Å; L89-K115 HydrophobicContact CD1-CB 4.37Å; L89-K115 HydrophobicContact CD1-CG 3.85Å
90	N	92.8	Very high	96.1	Very high	173 Å²	173	75.4 Å²	75.4	93%	0.925	38%	0.375	S	S	*	.			trans	-87.8	99.5	170.2	-71.6	-29.4	0	0	0	108.3
91	L	94.9	Very high	96	Very high	46 Å²	46	76.8 Å²	76.8	24%	0.241	38%	0.377	C	S	.	.			trans	-97.5	141	-171.1	-56	-176.3	0	0	0	112.6	L89 E95 K96 E99 Y111	L89-L91 HydrophobicContact CB-CD2 3.48Å; L89-L91 VanDerWaalsContact CB-CD2 3.48Å; L89-L91 HydrophobicContact CB-CG 4.03Å; L89-L91 HydrophobicContact CD1-CD2 4.16Å; L89-L91 HydrophobicContact CG-CD2 4.48Å; L89-L91 PolarHBondContact O-N 3.02Å; L91-E95 HydrophobicContact CB-CB 3.94Å; L91-E95 HydrophobicContact CD2-CB 4.12Å; L91-E95 HydrophobicContact CG-CB 4.48Å; L91-K96 HydrophobicContact CB-CB 4.33Å; L91-E99 HydrophobicContact CD1-CB 3.99Å; L91-E99 HydrophobicContact CD1-CG 4.33Å; L91-E99 WeakPolarHBondContact CD1-OE2 3.47Å; L91-Y111 HydrophobicContact CD1-CE1 4.35Å; L91-Y111 HydrophobicContact CD2-CD1 4.36Å; L91-Y111 HydrophobicContact CD2-CE1 3.52Å
92	S	96.3	Very high	95.9	Very high	40 Å²	40	77.2 Å²	77.2	28%	0.28	38%	0.379	S	S	.	.			trans	-66.2	164.6	162.7	96	0	0	0	0	111.2	E94 E95 K96	S92-E94 PolarHBondContact O-N 3.12Å; S92-E94 PolarHBondContact OG-N 3.27Å; S92-E94 PolarHBondContact OG-OE2 3.05Å; S92-E95 PolarHBondContact N-OE2 2.92Å; S92-E95 PolarHBondContact O-N 3.27Å; S92-E95 PolarHBondContact OG-N 2.89Å; S92-K96 WeakPolarHBondContact O-CB 3.31Å; S92-K96 PolarHBondContact O-N 2.75Å
93	P	95.9	Very high	95.8	Very high	106 Å²	106	77.8 Å²	77.8	69%	0.688	38%	0.383	S	S	*	.	H	α-helix	trans	-54.9	-37.6	173.5	-26.2	36	0	0	0	113.7	K97	P93-K97 PolarHBondContact O-N 3.5Å
94	E	95.6	Very high	95.6	Very high	127 Å²	127	80.5 Å²	80.5	59%	0.593	40%	0.399	S	S	*	.	H	α-helix	trans	-70.3	-42.8	177.7	-61.5	71.8	-157.1	0	0	111.9	S92 K97 Q98	S92-E94 PolarHBondContact O-N 3.12Å; S92-E94 PolarHBondContact OG-N 3.27Å; S92-E94 PolarHBondContact OG-OE2 3.05Å; E94-K97 WeakPolarHBondContact O-CB 3.49Å; E94-K97 PolarHBondContact O-N 2.85Å; E94-Q98 PolarHBondContact O-N 3.17Å; E94-Q98 VanDerWaalsContact O-N 3.16Å
95	E	95.9	Very high	95.4	Very high	69 Å²	69	87 Å²	87	32%	0.322	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-39.4	177.1	-68.8	176.7	136.9	0	0	111.6	L91 S92 K97 Q98 E99 Y111	L91-E95 HydrophobicContact CB-CB 3.94Å; L91-E95 HydrophobicContact CD2-CB 4.12Å; L91-E95 HydrophobicContact CG-CB 4.48Å; S92-E95 PolarHBondContact N-OE2 2.92Å; S92-E95 PolarHBondContact O-N 3.27Å; S92-E95 PolarHBondContact OG-N 2.89Å; E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 2.92Å; E95-Q98 WeakPolarHBondContact O-CB 3.33Å; E95-Q98 PolarHBondContact O-N 2.78Å; E95-Q98 VanDerWaalsContact O-N 3.09Å; E95-E99 PolarHBondContact O-N 2.67Å; E95-Y111 HydrophobicContact CB-CE2 4.5Å; E95-Y111 WeakPolarHBondContact CG-OH 3.43Å; E95-Y111 PolarHBondContact OE1-OH 2.04Å
96	K	95.7	Very high	95.3	Very high	112 Å²	112	83 Å²	83	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-38	174.5	-173.2	173.9	-178.8	178.4	0	111.9	L91 S92 Q98 E99 E100	L91-K96 HydrophobicContact CB-CB 4.33Å; S92-K96 WeakPolarHBondContact O-CB 3.31Å; S92-K96 PolarHBondContact O-N 2.75Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; K96-E99 WeakPolarHBondContact O-CB 3.32Å; K96-E99 PolarHBondContact O-N 3.04Å; K96-E100 WeakPolarHBondContact CE-OE1 3.49Å; K96-E100 WeakPolarHBondContact O-CG 3.31Å; K96-E100 PolarHBondContact O-N 3.37Å
97	K	96.1	Very high	95.3	Very high	127 Å²	127	81.7 Å²	81.7	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-41.5	173.5	-172.1	-177	176.8	-168.3	0	111.7	P93 E94 E95 E99 E100 E101	P93-K97 PolarHBondContact O-N 3.5Å; E94-K97 WeakPolarHBondContact O-CB 3.49Å; E94-K97 PolarHBondContact O-N 2.85Å; E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 2.92Å; K97-E99 VanDerWaalsContact C-N 3.34Å; K97-E100 PolarHBondContact O-N 3.09Å; K97-E101 WeakPolarHBondContact CE-OE1 3.27Å; K97-E101 IonicContact NZ-OE1 2.68Å; K97-E101 WeakPolarHBondContact O-CB 3.02Å; K97-E101 VanDerWaalsContact O-CG 3.31Å; K97-E101 WeakPolarHBondContact O-CG 3.02Å; K97-E101 PolarHBondContact O-N 3.17Å
98	Q	96.1	Very high	95.3	Very high	106 Å²	106	81.5 Å²	81.5	50%	0.495	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-38.9	175.7	-66.5	175.5	-5.8	0	0	112.1	E94 E95 K96 S102 Y111	E94-Q98 PolarHBondContact O-N 3.17Å; E94-Q98 VanDerWaalsContact O-N 3.16Å; E95-Q98 WeakPolarHBondContact O-CB 3.33Å; E95-Q98 PolarHBondContact O-N 2.78Å; E95-Q98 VanDerWaalsContact O-N 3.09Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; Q98-S102 WeakPolarHBondContact O-CB 3.2Å; Q98-S102 PolarHBondContact O-N 3.37Å; Q98-Y111 HydrophobicContact CB-CD2 3.85Å; Q98-Y111 HydrophobicContact CB-CE2 3.97Å
99	E	96.4	Very high	95.6	Very high	38 Å²	38	74.2 Å²	74.2	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-52.9	172.5	-179.5	-177.1	-124.5	0	0	111.2	L91 E95 K96 K97 E101 S102 V103 N109 Y111	L91-E99 HydrophobicContact CD1-CB 3.99Å; L91-E99 HydrophobicContact CD1-CG 4.33Å; L91-E99 WeakPolarHBondContact CD1-OE2 3.47Å; E95-E99 PolarHBondContact O-N 2.67Å; K96-E99 WeakPolarHBondContact O-CB 3.32Å; K96-E99 PolarHBondContact O-N 3.04Å; K97-E99 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.46Å; E99-S102 WeakPolarHBondContact O-CB 3.31Å; E99-S102 PolarHBondContact O-N 2.85Å; E99-S102 VanDerWaalsContact O-N 3.08Å; E99-S102 PolarHBondContact O-OG 3.04Å; E99-V103 PolarHBondContact O-N 3.19Å; E99-N109 PolarHBondContact OE1-ND2 3.32Å; E99-Y111 HydrophobicContact CB-CD1 4.32Å; E99-Y111 HydrophobicContact CB-CG 4.08Å
100	E	95.9	Very high	95.8	Very high	110 Å²	110	72 Å²	72	51%	0.514	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-44.7	179.1	-72.2	172.3	-175.5	0	0	112.1	K96 K97 S102 V103 E104	K96-E100 WeakPolarHBondContact CE-OE1 3.49Å; K96-E100 WeakPolarHBondContact O-CG 3.31Å; K96-E100 PolarHBondContact O-N 3.37Å; K97-E100 PolarHBondContact O-N 3.09Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.36Å; E100-V103 PolarHBondContact O-N 2.84Å; E100-E104 PolarHBondContact O-N 3.08Å
101	E	95.7	Very high	96.1	Very high	85 Å²	85	64.8 Å²	64.8	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-35.1	175.2	-75.1	177.5	-170.9	0	0	112.3	K97 E99 R105	K97-E101 WeakPolarHBondContact CE-OE1 3.27Å; K97-E101 IonicContact NZ-OE1 2.68Å; K97-E101 WeakPolarHBondContact O-CB 3.02Å; K97-E101 VanDerWaalsContact O-CG 3.31Å; K97-E101 WeakPolarHBondContact O-CG 3.02Å; K97-E101 PolarHBondContact O-N 3.17Å; E99-E101 PolarHBondContact O-N 3.46Å; E101-R105 WeakPolarHBondContact O-CB 3.43Å; E101-R105 PolarHBondContact O-N 2.94Å; E101-R105 VanDerWaalsContact O-N 3.15Å
102	S	94.9	Very high	96.2	Very high	15 Å²	15	62.8 Å²	62.8	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-43.7	176.9	84.9	0	0	0	0	111.6	Q98 E99 E100 R105 Y106 I110 Y111	Q98-S102 WeakPolarHBondContact O-CB 3.2Å; Q98-S102 PolarHBondContact O-N 3.37Å; E99-S102 WeakPolarHBondContact O-CB 3.31Å; E99-S102 PolarHBondContact O-N 2.85Å; E99-S102 VanDerWaalsContact O-N 3.08Å; E99-S102 PolarHBondContact O-OG 3.04Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 3.36Å; S102-R105 PolarHBondContact O-N 3.12Å; S102-Y106 WeakPolarHBondContact O-CD2 3.2Å; S102-Y106 PolarHBondContact O-N 2.65Å; S102-I110 PolarHBondContact OG-N 3.35Å; S102-Y111 PolarHBondContact OG-N 3.12Å
103	V	96	Very high	96.3	Very high	21 Å²	21	60.9 Å²	60.9	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-39.7	178	175.4	0	0	0	0	110.9	E99 E100 R105 A107 I108 N109 W267 K372	E99-V103 PolarHBondContact O-N 3.19Å; E100-V103 PolarHBondContact O-N 2.84Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 2.63Å; V103-A107 WeakPolarHBondContact O-CA 3.44Å; V103-A107 PolarHBondContact O-N 3.17Å; V103-I108 WeakPolarHBondContact CA-O 3.48Å; V103-N109 HydrophobicContact CG2-CB 3.88Å; V103-W267 HydrophobicContact CG1-CE3 4.43Å; V103-W267 HydrophobicContact CG1-CH2 4.46Å; V103-W267 HydrophobicContact CG1-CZ3 3.73Å; V103-W267 HydrophobicContact CG2-CZ3 4.19Å; V103-K372 HydrophobicContact CG1-CD 4.23Å
104	E	94.6	Very high	96.4	Very high	150 Å²	150	60.3 Å²	60.3	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-41.2	176.5	-173.8	175.8	-166.8	0	0	111.6	E100	E100-E104 PolarHBondContact O-N 3.08Å
105	R	93.8	Very high	96.5	Very high	140 Å²	140	59.3 Å²	59.3	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-74.2	-41.6	-176.6	-174.8	177.8	-60.5	172.6	7.2	113.8	E101 S102 V103	E101-R105 WeakPolarHBondContact O-CB 3.43Å; E101-R105 PolarHBondContact O-N 2.94Å; E101-R105 VanDerWaalsContact O-N 3.15Å; S102-R105 PolarHBondContact O-N 3.12Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 2.63Å
106	Y	94.9	Very high	96.7	Very high	29 Å²	29	56.2 Å²	56.2	11%	0.114	26%	0.257	C	S	.	.	H	α-helix	trans	-112.5	-8.5	-170.6	-63.4	-76.8	0	0	0	113.9	S102 I108 I110 A153 Y187	S102-Y106 WeakPolarHBondContact O-CD2 3.2Å; S102-Y106 PolarHBondContact O-N 2.65Å; Y106-I108 PolarHBondContact O-N 2.77Å; Y106-I108 VanDerWaalsContact O-N 3.14Å; Y106-I110 HydrophobicContact CD2-CB 4.09Å; Y106-I110 HydrophobicContact CD2-CG1 3.47Å; Y106-I110 VanDerWaalsContact CD2-CG1 3.47Å; Y106-I110 HydrophobicContact CE2-CB 4.48Å; Y106-I110 HydrophobicContact CE2-CG1 4.15Å; Y106-I110 HydrophobicContact CG-CG1 3.68Å; Y106-A153 HydrophobicContact CD1-CB 4.25Å; Y106-A153 HydrophobicContact CE1-CB 4.15Å; Y106-Y187 PolarHBondContact OH-OH 3.04Å
107	A	97.2	Very high	96.8	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	25%	0.25	C	C	.	.	S	Bend	trans	57	17.3	-167.6	0	0	0	0	0	113.9	V103 P371 K372 K373 P375	V103-A107 WeakPolarHBondContact O-CA 3.44Å; V103-A107 PolarHBondContact O-N 3.17Å; A107-P371 HydrophobicContact CB-CB 4.06Å; A107-K372 HydrophobicContact CB-CB 4.36Å; A107-K372 WeakPolarHBondContact O-CB 3.29Å; A107-K372 PolarHBondContact O-N 3.24Å; A107-K373 HydrophobicContact CB-CG 3.8Å; A107-K373 WeakPolarHBondContact CB-O 3.37Å; A107-P375 HydrophobicContact CB-CB 4.48Å
108	I	97.9	Very high	96.9	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-137.5	143.7	178.5	-59.8	171.7	0	0	0	106.7	V103 Y106 I110 W267 F270 V369 P371	V103-I108 WeakPolarHBondContact CA-O 3.48Å; Y106-I108 PolarHBondContact O-N 2.77Å; Y106-I108 VanDerWaalsContact O-N 3.14Å; I108-I110 HydrophobicContact CB-CD1 3.93Å; I108-I110 HydrophobicContact CB-CG1 4.42Å; I108-I110 HydrophobicContact CG2-CD1 3.71Å; I108-I110 PolarHBondContact O-N 3.05Å; I108-W267 HydrophobicContact CG1-CB 4.36Å; I108-W267 HydrophobicContact CG2-CB 4.48Å; I108-F270 HydrophobicContact CG2-CE2 3.74Å; I108-F270 HydrophobicContact CG2-CZ 3.57Å; I108-V369 HydrophobicContact CD1-CB 4.38Å; I108-V369 HydrophobicContact CD1-CG1 3.78Å; I108-V369 HydrophobicContact CG1-CG1 3.97Å; I108-V369 HydrophobicContact CG2-CG1 3.88Å; I108-P371 HydrophobicContact CD1-CB 4.42Å; I108-P371 HydrophobicContact CG1-CB 4.01Å
109	N	97.9	Very high	97	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.22	C	C	.	.			trans	-74.6	77.9	174.7	-168.8	-20	0	0	0	110.5	E99 V103 Y111 V112 S113 W267 N268 F270	E99-N109 PolarHBondContact OE1-ND2 3.32Å; V103-N109 HydrophobicContact CG2-CB 3.88Å; N109-Y111 PolarHBondContact O-N 3.33Å; N109-Y111 PolarHBondContact OD1-N 3.14Å; N109-V112 HydrophobicContact CB-CB 4.32Å; N109-V112 HydrophobicContact CB-CG2 4.49Å; N109-V112 VanDerWaalsContact CG-CG2 3.47Å; N109-V112 VanDerWaalsContact ND2-CG2 3.28Å; N109-V112 WeakPolarHBondContact ND2-CG2 3.39Å; N109-V112 PolarHBondContact O-N 3.26Å; N109-V112 WeakPolarHBondContact OD1-CG2 3.25Å; N109-V112 PolarHBondContact OD1-N 3.06Å; N109-S113 PolarHBondContact O-N 3.22Å; N109-W267 WeakPolarHBondContact CB-O 3.45Å; N109-W267 PolarHBondContact N-O 3.26Å; N109-N268 VanDerWaalsContact CB-O 3.28Å; N109-N268 WeakPolarHBondContact CB-O 3.32Å; N109-N268 PolarHBondContact ND2-O 3.46Å; N109-N268 VanDerWaalsContact ND2-O 3.09Å; N109-N268 PolarHBondContact ND2-OD1 2.99Å; N109-F270 VanDerWaalsContact O-CE2 3.31Å; N109-F270 WeakPolarHBondContact O-CE2 3.48Å
110	I	98.1	Very high	97.1	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-28.3	179.8	-60.5	-52.8	0	0	0	111.1	S102 Y106 I108 V112 S113 D114 A153 T156	S102-I110 PolarHBondContact OG-N 3.35Å; Y106-I110 HydrophobicContact CD2-CB 4.09Å; Y106-I110 HydrophobicContact CD2-CG1 3.47Å; Y106-I110 VanDerWaalsContact CD2-CG1 3.47Å; Y106-I110 HydrophobicContact CE2-CB 4.48Å; Y106-I110 HydrophobicContact CE2-CG1 4.15Å; Y106-I110 HydrophobicContact CG-CG1 3.68Å; I108-I110 HydrophobicContact CB-CD1 3.93Å; I108-I110 HydrophobicContact CB-CG1 4.42Å; I108-I110 HydrophobicContact CG2-CD1 3.71Å; I108-I110 PolarHBondContact O-N 3.05Å; I110-V112 VanDerWaalsContact C-N 3.32Å; I110-V112 PolarHBondContact O-N 3.41Å; I110-S113 WeakPolarHBondContact O-CB 3.32Å; I110-S113 PolarHBondContact O-N 2.83Å; I110-S113 VanDerWaalsContact O-N 3.17Å; I110-D114 WeakPolarHBondContact O-CB 3.38Å; I110-D114 PolarHBondContact O-N 2.84Å; I110-A153 HydrophobicContact CB-CB 4.41Å; I110-A153 HydrophobicContact CD1-CB 3.36Å; I110-A153 HydrophobicContact CG1-CB 3.65Å; I110-A153 HydrophobicContact CG2-CB 3.83Å; I110-T156 HydrophobicContact CD1-CG2 3.95Å
111	Y	97.9	Very high	97.2	Very high	23 Å²	23	41.1 Å²	41.1	9%	0.09	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-46.8	173	-173.4	-81.5	0	0	0	111.7	L89 L91 E95 Q98 E99 S102 N109 D114	L89-Y111 HydrophobicContact CD1-CD1 3.96Å; L89-Y111 HydrophobicContact CD1-CE1 3.81Å; L91-Y111 HydrophobicContact CD1-CE1 4.35Å; L91-Y111 HydrophobicContact CD2-CD1 4.36Å; L91-Y111 HydrophobicContact CD2-CE1 3.52Å; E95-Y111 HydrophobicContact CB-CE2 4.5Å; E95-Y111 WeakPolarHBondContact CG-OH 3.43Å; E95-Y111 PolarHBondContact OE1-OH 2.04Å; Q98-Y111 HydrophobicContact CB-CD2 3.85Å; Q98-Y111 HydrophobicContact CB-CE2 3.97Å; E99-Y111 HydrophobicContact CB-CD1 4.32Å; E99-Y111 HydrophobicContact CB-CG 4.08Å; S102-Y111 PolarHBondContact OG-N 3.12Å; N109-Y111 PolarHBondContact O-N 3.33Å; N109-Y111 PolarHBondContact OD1-N 3.14Å; Y111-D114 PolarHBondContact O-N 2.96Å
112	V	97.9	Very high	97.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-46.1	172.9	168.5	0	0	0	0	111.1	T87 L89 N109 I110 D114 K115 I116 F270	T87-V112 HydrophobicContact CG2-CG1 3.95Å; L89-V112 HydrophobicContact CD1-CG2 3.92Å; L89-V112 HydrophobicContact CG-CG2 4.44Å; N109-V112 HydrophobicContact CB-CB 4.32Å; N109-V112 HydrophobicContact CB-CG2 4.49Å; N109-V112 VanDerWaalsContact CG-CG2 3.47Å; N109-V112 VanDerWaalsContact ND2-CG2 3.28Å; N109-V112 WeakPolarHBondContact ND2-CG2 3.39Å; N109-V112 PolarHBondContact O-N 3.26Å; N109-V112 WeakPolarHBondContact OD1-CG2 3.25Å; N109-V112 PolarHBondContact OD1-N 3.06Å; I110-V112 VanDerWaalsContact C-N 3.32Å; I110-V112 PolarHBondContact O-N 3.41Å; V112-D114 PolarHBondContact O-N 3.26Å; V112-K115 PolarHBondContact O-N 2.97Å; V112-I116 HydrophobicContact CG1-CD1 3.85Å; V112-I116 PolarHBondContact O-N 3.24Å; V112-F270 HydrophobicContact CG1-CD2 4.04Å
113	S	98.4	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-41.2	177.4	-174.6	0	0	0	0	112.5	N109 I110 K115 I116 S155 R159 F270	N109-S113 PolarHBondContact O-N 3.22Å; I110-S113 WeakPolarHBondContact O-CB 3.32Å; I110-S113 PolarHBondContact O-N 2.83Å; I110-S113 VanDerWaalsContact O-N 3.17Å; S113-K115 PolarHBondContact O-N 3.31Å; S113-I116 PolarHBondContact O-N 3.21Å; S113-I116 VanDerWaalsContact O-N 3.12Å; S113-S155 WeakPolarHBondContact CB-OG 3.22Å; S113-S155 WeakPolarHBondContact OG-CB 3.47Å; S113-S155 PolarHBondContact OG-OG 3.18Å; S113-R159 PolarHBondContact O-NH2 2.95Å; S113-R159 PolarHBondContact OG-NH1 2.77Å; S113-R159 PolarHBondContact OG-NH2 2.83Å; S113-F270 VanDerWaalsContact CB-CZ 3.4Å
114	D	98.2	Very high	97.3	Very high	94 Å²	94	42.2 Å²	42.2	50%	0.503	20%	0.199	S	C	.	.	H	α-helix	trans	-69.2	-17.6	-177.8	-69.3	-12.4	0	0	0	112.9	I110 Y111 V112 S155	I110-D114 WeakPolarHBondContact O-CB 3.38Å; I110-D114 PolarHBondContact O-N 2.84Å; Y111-D114 PolarHBondContact O-N 2.96Å; V112-D114 PolarHBondContact O-N 3.26Å; D114-S155 WeakPolarHBondContact OD1-CB 3.31Å; D114-S155 PolarHBondContact OD1-OG 3.07Å
115	K	97.7	Very high	97.3	Very high	106 Å²	106	39.1 Å²	39.1	46%	0.461	19%	0.185	S	C	.	.	H	α-helix	trans	-91.4	-13.7	173.6	-55.4	-55.1	-178.9	179.1	0	113.5	L89 V112 S113	L89-K115 HydrophobicContact CD1-CB 4.37Å; L89-K115 HydrophobicContact CD1-CG 3.85Å; V112-K115 PolarHBondContact O-N 2.97Å; S113-K115 PolarHBondContact O-N 3.31Å
116	I	98.4	Very high	97.4	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	16%	0.163	C	C	.	.	S	Bend	trans	-90.7	136.1	179	-65.1	171.4	0	0	0	109.2	P80 T87 V112 S113 L118 R120 R159 F270	P80-I116 HydrophobicContact CB-CG1 4.33Å; T87-I116 HydrophobicContact CG2-CG1 4.43Å; T87-I116 WeakPolarHBondContact OG1-CD1 3.39Å; V112-I116 HydrophobicContact CG1-CD1 3.85Å; V112-I116 PolarHBondContact O-N 3.24Å; S113-I116 PolarHBondContact O-N 3.21Å; S113-I116 VanDerWaalsContact O-N 3.12Å; I116-L118 PolarHBondContact O-N 2.9Å; I116-R120 HydrophobicContact CG2-CB 4.48Å; I116-R120 HydrophobicContact CG2-CG 4.21Å; I116-R159 PolarHBondContact O-NH2 3.07Å; I116-F270 HydrophobicContact CD1-CB 3.36Å; I116-F270 HydrophobicContact CD1-CD1 4.38Å; I116-F270 HydrophobicContact CD1-CD2 4.46Å; I116-F270 HydrophobicContact CD1-CG 3.84Å
117	S	98.4	Very high	97.3	Very high	49 Å²	49	32.7 Å²	32.7	34%	0.343	16%	0.161	S	C	.	.			trans	-52.7	140	178	-179.4	0	0	0	0	112.2	H119 R159	S117-H119 PolarHBondContact O-N 2.75Å; S117-H119 PolarHBondContact OG-N 2.84Å; S117-R159 PolarHBondContact O-NE 3.42Å
118	L	98.6	Very high	97.2	Very high	36 Å²	36	37.5 Å²	37.5	19%	0.188	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.6	170	-56.3	-179.7	0	0	0	112	I116 S155 L158 R159	I116-L118 PolarHBondContact O-N 2.9Å; L118-S155 WeakPolarHBondContact CD2-O 3.25Å; L118-L158 HydrophobicContact CD1-CB 3.94Å; L118-L158 HydrophobicContact CD1-CD1 3.88Å; L118-L158 HydrophobicContact CD2-CB 4.21Å; L118-R159 HydrophobicContact CD2-CB 4.28Å
119	H	98.6	Very high	97	Very high	49 Å²	49	41 Å²	41	23%	0.227	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	12.4	-174.3	-49.6	-76.6	0	0	0	112.6	K72 P73 S117 H162 E166	K72-H119 PolarHBondContact NZ-O 3.32Å; P73-H119 HydrophobicContact CG-CB 4.2Å; S117-H119 PolarHBondContact O-N 2.75Å; S117-H119 PolarHBondContact OG-N 2.84Å; H119-H162 AromaticContact CE1-CD2 3.66Å; H119-H162 AromaticContact CE1-CE1 3.58Å; H119-H162 AromaticContact CE1-CG 3.56Å; H119-H162 AromaticContact CE1-ND1 3.54Å; H119-H162 AromaticContact CE1-NE2 3.65Å; H119-H162 AromaticContact ND1-CG 3.76Å; H119-H162 AromaticContact ND1-ND1 3.92Å; H119-E166 IonicContact CE1-OE1 3.84Å; H119-E166 IonicContact CG-OE1 3.42Å; H119-E166 IonicContact ND1-OE1 2.68Å; H119-E166 PolarHBondContact ND1-OE1 3.18Å; H119-E166 IonicContact ND1-OE2 3.25Å
120	R	98.4	Very high	96.9	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.019	20%	0.204	C	C	.	.			trans	-53.3	150.1	-174.7	69.4	162.2	174	179	4.4	112.6	K72 G81 I116 E237 F270	K72-R120 PolarHBondContact NZ-O 3.35Å; G81-R120 VanDerWaalsContact O-CD 3.26Å; G81-R120 WeakPolarHBondContact O-CD 3.47Å; G81-R120 PolarHBondContact O-NH1 2.7Å; I116-R120 HydrophobicContact CG2-CB 4.48Å; I116-R120 HydrophobicContact CG2-CG 4.21Å; R120-E237 IonicContact CZ-OE1 3.62Å; R120-E237 IonicContact CZ-OE2 3.82Å; R120-E237 IonicContact NE-OE1 3.7Å; R120-E237 PolarHBondContact NE-OE1 2.88Å; R120-E237 IonicContact NE-OE2 2.73Å; R120-E237 PolarHBondContact NE-OE2 2.76Å; R120-E237 VanDerWaalsContact NH2-CD 3.31Å; R120-E237 IonicContact NH2-OE1 3.65Å; R120-E237 PolarHBondContact NH2-OE1 2.8Å; R120-E237 IonicContact NH2-OE2 2.78Å; R120-E237 PolarHBondContact NH2-OE2 3.44Å; R120-F270 PolarHBondContact NH1-O 3.23Å; R120-F270 PolarHBondContact NH2-O 2.96Å; R120-F270 VanDerWaalsContact NH2-O 3.1Å
121	H	98.4	Very high	96.7	Very high	36 Å²	36	46.7 Å²	46.7	17%	0.167	22%	0.224	C	C	.	.			trans	-85.6	150.7	172.9	-61.2	74.8	0	0	0	109.8	P73 E82 W83 G84	P73-H121 PolarHBondContact O-CE1 2.96Å; E82-H121 WeakPolarHBondContact OE1-CB 3.3Å; E82-H121 IonicContact OE1-CG 2.75Å; E82-H121 PolarHBondContact OE1-N 3.34Å; E82-H121 IonicContact OE1-ND1 3.48Å; E82-H121 PolarHBondContact OE1-ND1 3.01Å; E82-H121 IonicContact OE2-ND1 3.75Å; W83-H121 CarbonylContact C-O 3.53Å; W83-H121 WeakPolarHBondContact CA-O 3.13Å; W83-H121 HydrophobicContact CD2-CB 4.19Å; W83-H121 HydrophobicContact CE3-CB 3.61Å; W83-H121 HydrophobicContact CH2-CB 4.04Å; W83-H121 HydrophobicContact CZ3-CB 3.53Å; W83-H121 PolarHBondContact N-O 3.42Å; G84-H121 PolarHBondContact N-O 2.85Å
122	I	97.8	Very high	96.5	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.067	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-113.1	132.4	168.1	-57.9	-57.6	0	0	0	107.3	D124 V239 F272 M274	I122-D124 PolarHBondContact O-N 2.69Å; I122-V239 HydrophobicContact CG2-CG2 4.15Å; I122-F272 HydrophobicContact CD1-CB 4.29Å; I122-F272 HydrophobicContact CD1-CD2 3.63Å; I122-F272 HydrophobicContact CD1-CE2 4.26Å; I122-F272 HydrophobicContact CD1-CG 4.16Å; I122-F272 HydrophobicContact CG1-CD2 4.03Å; I122-F272 HydrophobicContact CG1-CE2 4.17Å; I122-F272 HydrophobicContact CG2-CD1 3.96Å; I122-F272 HydrophobicContact CG2-CD2 3.91Å; I122-F272 HydrophobicContact CG2-CE1 4.07Å; I122-F272 HydrophobicContact CG2-CE2 3.97Å; I122-F272 HydrophobicContact CG2-CG 3.9Å; I122-F272 HydrophobicContact CG2-CZ 4.08Å; I122-M274 HydrophobicContact CG2-CE 3.92Å
123	Q	95.5	Very high	96.3	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	26%	0.263	S	S	.	.			trans	-68.9	125.5	177.8	-167.5	171.9	14.3	0	0	110.4	W83 H125 M274	W83-Q123 HydrophobicContact CB-CB 4.32Å; W83-Q123 HydrophobicContact CE3-CB 4.36Å; W83-Q123 PolarHBondContact O-N 2.93Å; Q123-H125 WeakPolarHBondContact CG-NE2 3.35Å; Q123-H125 PolarHBondContact NE2-CE1 3.41Å; Q123-H125 PolarHBondContact O-N 3.49Å; Q123-H125 VanDerWaalsContact O-N 3.15Å; Q123-H125 PolarHBondContact OE1-CE1 3.12Å; Q123-H125 PolarHBondContact OE1-NE2 3.34Å; Q123-M274 WeakPolarHBondContact O-CE 3.34Å
124	D	94.9	Very high	96.1	Very high	37 Å²	37	61.5 Å²	61.5	20%	0.198	30%	0.303	C	S	.	.			trans	-81.9	94.4	-179.5	-174.5	3.7	0	0	0	111.5	I122 R126 R131	I122-D124 PolarHBondContact O-N 2.69Å; D124-R126 VanDerWaalsContact OD1-CB 3.28Å; D124-R126 WeakPolarHBondContact OD1-CB 3.5Å; D124-R126 VanDerWaalsContact OD1-CG 3.23Å; D124-R126 WeakPolarHBondContact OD1-CG 3.35Å; D124-R126 IonicContact OD1-CZ 3.72Å; D124-R126 PolarHBondContact OD1-N 2.83Å; D124-R126 VanDerWaalsContact OD1-N 3.12Å; D124-R126 IonicContact OD1-NE 3.31Å; D124-R126 PolarHBondContact OD1-NE 3.26Å; D124-R126 IonicContact OD1-NH2 2.83Å; D124-R126 IonicContact OD2-CZ 2.67Å; D124-R126 IonicContact OD2-NE 2.93Å; D124-R126 PolarHBondContact OD2-NE 3.02Å; D124-R126 IonicContact OD2-NH2 3.69Å; D124-R126 PolarHBondContact OD2-NH2 2.87Å; D124-R131 PolarHBondContact O-NH1 2.97Å; D124-R131 WeakPolarHBondContact OD2-CD 3.38Å; D124-R131 WeakPolarHBondContact OD2-CG 3.39Å
125	H	94.1	Very high	95.9	Very high	85 Å²	85	58.2 Å²	58.2	39%	0.394	28%	0.284	S	S	.	.			trans	-99	15.8	175.1	-67.2	-64.9	0	0	0	113.6	Q123 M274 T276	Q123-H125 WeakPolarHBondContact CG-NE2 3.35Å; Q123-H125 PolarHBondContact NE2-CE1 3.41Å; Q123-H125 PolarHBondContact O-N 3.49Å; Q123-H125 VanDerWaalsContact O-N 3.15Å; Q123-H125 PolarHBondContact OE1-CE1 3.12Å; Q123-H125 PolarHBondContact OE1-NE2 3.34Å; H125-M274 HydrophobicContact CB-SD 3.75Å; H125-M274 PolarHBondContact N-SD 3.01Å; H125-M274 VanDerWaalsContact N-SD 3.39Å; H125-T276 HydrophobicContact CB-CG2 3.62Å; H125-T276 WeakPolarHBondContact O-CG2 3.27Å
126	R	95.5	Very high	95.8	Very high	20 Å²	20	57.2 Å²	57.2	8%	0.075	28%	0.284	C	S	.	.	S	Bend	trans	-59.6	158.5	175.4	-64.5	177.4	-61.3	167.1	-0.5	111	D124 N128 C130 R131 P240 G241 M274 C363	D124-R126 VanDerWaalsContact OD1-CB 3.28Å; D124-R126 WeakPolarHBondContact OD1-CB 3.5Å; D124-R126 VanDerWaalsContact OD1-CG 3.23Å; D124-R126 WeakPolarHBondContact OD1-CG 3.35Å; D124-R126 IonicContact OD1-CZ 3.72Å; D124-R126 PolarHBondContact OD1-N 2.83Å; D124-R126 VanDerWaalsContact OD1-N 3.12Å; D124-R126 IonicContact OD1-NE 3.31Å; D124-R126 PolarHBondContact OD1-NE 3.26Å; D124-R126 IonicContact OD1-NH2 2.83Å; D124-R126 IonicContact OD2-CZ 2.67Å; D124-R126 IonicContact OD2-NE 2.93Å; D124-R126 PolarHBondContact OD2-NE 3.02Å; D124-R126 IonicContact OD2-NH2 3.69Å; D124-R126 PolarHBondContact OD2-NH2 2.87Å; R126-N128 PolarHBondContact O-N 2.89Å; R126-C130 HydrophobicContact CB-CB 4.22Å; R126-R131 HydrophobicContact CB-CG 4.34Å; R126-R131 PolarHBondContact O-NE 2.9Å; R126-P240 PolarHBondContact NH1-O 3.3Å; R126-P240 PolarHBondContact NH2-O 3.49Å; R126-G241 PolarHBondContact NH1-O 3.43Å; R126-M274 HydrophobicContact CG-SD 4.14Å; R126-C363 WeakPolarHBondContact CD-O 3.4Å; R126-C363 PolarHBondContact NH1-O 2.9Å
127	M	94.4	Very high	95.6	Very high	14 Å²	14	58.1 Å²	58.1	7%	0.069	29%	0.287	C	S	.	.			trans	-47.8	139	172.8	-67.9	178.2	-84	0	0	111.4	E129 C130 R131 R306 T307 P362	M127-E129 PolarHBondContact O-N 2.64Å; M127-E129 VanDerWaalsContact O-N 3.12Å; M127-C130 WeakPolarHBondContact O-CA 3.25Å; M127-C130 VanDerWaalsContact O-CB 3.29Å; M127-C130 WeakPolarHBondContact O-CB 3.45Å; M127-C130 PolarHBondContact O-N 2.84Å; M127-R131 PolarHBondContact O-N 2.82Å; M127-R306 HydrophobicContact SD-CB 4.2Å; M127-R306 VanDerWaalsContact SD-CD 3.55Å; M127-R306 HydrophobicContact SD-CG 3.62Å; M127-T307 HydrophobicContact CB-CG2 4.33Å; M127-T307 HydrophobicContact CE-CG2 4.02Å; M127-T307 HydrophobicContact SD-CG2 4.1Å; M127-P362 HydrophobicContact CE-CB 3.43Å; M127-P362 VanDerWaalsContact CE-CB 3.43Å
128	N	93.9	Very high	95.5	Very high	103 Å²	103	62.8 Å²	62.8	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-53.7	-38.2	-176.6	-68.6	-18	0	0	0	112.3	R126 C130 R131 A132	R126-N128 PolarHBondContact O-N 2.89Å; N128-C130 VanDerWaalsContact C-N 3.29Å; N128-C130 PolarHBondContact O-N 3.3Å; N128-R131 PolarHBondContact O-N 2.83Å; N128-R131 PolarHBondContact OD1-NH2 3.28Å; N128-A132 WeakPolarHBondContact O-CB 3.4Å; N128-A132 PolarHBondContact O-N 2.89Å
129	E	94.8	Very high	95.3	Very high	79 Å²	79	68 Å²	68	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-31.7	179.1	-55	94.5	130.6	0	0	112.2	M127 K133 R306 T307	M127-E129 PolarHBondContact O-N 2.64Å; M127-E129 VanDerWaalsContact O-N 3.12Å; E129-K133 PolarHBondContact O-N 2.8Å; E129-R306 VanDerWaalsContact CD-NH2 3.32Å; E129-R306 IonicContact OE1-CZ 3.75Å; E129-R306 VanDerWaalsContact OE1-CZ 3.31Å; E129-R306 IonicContact OE1-NE 2.78Å; E129-R306 PolarHBondContact OE1-NE 3.47Å; E129-R306 IonicContact OE1-NH2 3.24Å; E129-R306 PolarHBondContact OE1-NH2 2.7Å; E129-R306 IonicContact OE2-CZ 3.42Å; E129-R306 IonicContact OE2-NE 3.17Å; E129-R306 IonicContact OE2-NH2 2.62Å; E129-R306 PolarHBondContact OE2-NH2 2.85Å; E129-T307 HydrophobicContact CB-CG2 3.71Å
130	C	95.4	Very high	95.3	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-69.6	-43.3	173	-67.6	0	0	0	0	111.4	R126 M127 N128 A132 K133 T307 C363	R126-C130 HydrophobicContact CB-CB 4.22Å; M127-C130 WeakPolarHBondContact O-CA 3.25Å; M127-C130 VanDerWaalsContact O-CB 3.29Å; M127-C130 WeakPolarHBondContact O-CB 3.45Å; M127-C130 PolarHBondContact O-N 2.84Å; N128-C130 VanDerWaalsContact C-N 3.29Å; N128-C130 PolarHBondContact O-N 3.3Å; C130-A132 VanDerWaalsContact C-N 3.29Å; C130-A132 PolarHBondContact O-N 3.13Å; C130-K133 WeakPolarHBondContact O-CB 3.37Å; C130-K133 PolarHBondContact O-N 3.34Å; C130-T307 WeakPolarHBondContact SG-CG2 3.41Å; C130-C363 VanDerWaalsContact CA-SG 3.5Å; C130-C363 HydrophobicContact CB-CB 3.52Å; C130-C363 WeakPolarHBondContact CB-SG 3.34Å; C130-C363 WeakPolarHBondContact SG-CA 3.29Å; C130-C363 WeakPolarHBondContact SG-CB 3.36Å; C130-C363 CovalentContact SG-SG 2.04Å; C130-C363 PolarHBondContact SG-SG 2.68Å
131	R	93.6	Very high	95.3	Very high	124 Å²	124	67.5 Å²	67.5	47%	0.468	32%	0.321	S	S	.	.	H	α-helix	trans	-68.3	-28.9	179.2	-62.7	-172.3	-72.9	176.8	2	112.8	D124 R126 M127 N128	D124-R131 PolarHBondContact O-NH1 2.97Å; D124-R131 WeakPolarHBondContact OD2-CD 3.38Å; D124-R131 WeakPolarHBondContact OD2-CG 3.39Å; R126-R131 HydrophobicContact CB-CG 4.34Å; R126-R131 PolarHBondContact O-NE 2.9Å; M127-R131 PolarHBondContact O-N 2.82Å; N128-R131 PolarHBondContact O-N 2.83Å; N128-R131 PolarHBondContact OD1-NH2 3.28Å
132	A	94	Very high	95.3	Very high	77 Å²	77	67.5 Å²	67.5	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.1	177	0	0	0	0	0	113.9	N128 C130	N128-A132 WeakPolarHBondContact O-CB 3.4Å; N128-A132 PolarHBondContact O-N 2.89Å; C130-A132 VanDerWaalsContact C-N 3.29Å; C130-A132 PolarHBondContact O-N 3.13Å
133	K	93.6	Very high	95.3	Very high	67 Å²	67	66.9 Å²	66.9	29%	0.291	32%	0.321	S	S	.	.			trans	-68.6	133.7	-176.9	-169.5	169	178.2	179.4	0	110.4	E129 C130 F135 E248	E129-K133 PolarHBondContact O-N 2.8Å; C130-K133 WeakPolarHBondContact O-CB 3.37Å; C130-K133 PolarHBondContact O-N 3.34Å; K133-F135 HydrophobicContact CB-CE2 4.33Å; K133-F135 HydrophobicContact CB-CZ 4.25Å; K133-F135 HydrophobicContact CD-CE1 3.87Å; K133-F135 HydrophobicContact CD-CZ 3.68Å; K133-F135 HydrophobicContact CG-CE1 4.11Å; K133-F135 HydrophobicContact CG-CE2 4.2Å; K133-F135 HydrophobicContact CG-CZ 3.79Å; K133-E248 WeakPolarHBondContact CE-OE1 3.47Å; K133-E248 WeakPolarHBondContact CE-OE2 3.24Å; K133-E248 IonicContact NZ-OE1 3.78Å; K133-E248 IonicContact NZ-OE2 2.74Å; K133-E248 PolarHBondContact NZ-OE2 3.38Å
134	K	93.8	Very high	95.5	Very high	192 Å²	192	62.4 Å²	62.4	84%	0.835	30%	0.299	S	S	*	.			trans	-105.6	147.8	175.2	-63	-171.4	177.5	-171.4	0	109.9
135	F	94.8	Very high	95.7	Very high	25 Å²	25	60.6 Å²	60.6	11%	0.11	29%	0.29	C	S	.	.			trans	-125.7	145.1	-177.6	-61.2	-80.7	0	0	0	111	K133 Y137 L140 E244 P245 E248	K133-F135 HydrophobicContact CB-CE2 4.33Å; K133-F135 HydrophobicContact CB-CZ 4.25Å; K133-F135 HydrophobicContact CD-CE1 3.87Å; K133-F135 HydrophobicContact CD-CZ 3.68Å; K133-F135 HydrophobicContact CG-CE1 4.11Å; K133-F135 HydrophobicContact CG-CE2 4.2Å; K133-F135 HydrophobicContact CG-CZ 3.79Å; F135-Y137 HydrophobicContact CB-CE2 4.38Å; F135-Y137 PolarHBondContact O-N 2.94Å; F135-L140 HydrophobicContact CB-CD1 4.13Å; F135-E244 HydrophobicContact CB-CB 4.4Å; F135-E244 HydrophobicContact CD1-CB 3.78Å; F135-E244 HydrophobicContact CD2-CB 3.55Å; F135-E244 HydrophobicContact CD2-CG 3.99Å; F135-E244 HydrophobicContact CE1-CB 3.82Å; F135-E244 HydrophobicContact CE2-CB 3.61Å; F135-E244 HydrophobicContact CE2-CG 4.36Å; F135-E244 HydrophobicContact CG-CB 3.64Å; F135-E244 HydrophobicContact CG-CG 4.23Å; F135-E244 HydrophobicContact CZ-CB 3.73Å; F135-P245 HydrophobicContact CZ-CG 3.93Å; F135-E248 HydrophobicContact CD1-CB 4.22Å; F135-E248 HydrophobicContact CD1-CG 4.43Å; F135-E248 HydrophobicContact CE1-CB 4.25Å
136	D	94.9	Very high	95.9	Very high	85 Å²	85	56.6 Å²	56.6	46%	0.455	27%	0.271	S	S	.	.			trans	-89	85	172.4	-175	-8.8	0	0	0	110.3	R138 H139 L140	D136-R138 PolarHBondContact O-N 3.01Å; D136-R138 PolarHBondContact OD1-N 3.13Å; D136-H139 PolarHBondContact O-N 3.21Å; D136-H139 VanDerWaalsContact O-N 3.09Å; D136-H139 IonicContact OD1-ND1 2.7Å; D136-H139 PolarHBondContact OD1-ND1 3.45Å; D136-H139 IonicContact OD2-CE1 3.54Å; D136-H139 IonicContact OD2-CG 3.47Å; D136-H139 IonicContact OD2-ND1 3.97Å; D136-H139 PolarHBondContact OD2-ND1 2.87Å; D136-L140 WeakPolarHBondContact O-CG 3.45Å; D136-L140 PolarHBondContact O-N 2.76Å
137	Y	95.2	Very high	96.1	Very high	25 Å²	25	55.6 Å²	55.6	10%	0.098	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23	-175	-72.7	-75.7	0	0	0	115.2	L65 A66 F135 P169 I171 L172 E244	L65-Y137 HydrophobicContact CB-CD2 4.16Å; L65-Y137 HydrophobicContact CB-CG 4.1Å; A66-Y137 HydrophobicContact CB-CE1 4.42Å; A66-Y137 HydrophobicContact CB-CE2 3.77Å; A66-Y137 WeakPolarHBondContact CB-OH 3.43Å; F135-Y137 HydrophobicContact CB-CE2 4.38Å; F135-Y137 PolarHBondContact O-N 2.94Å; Y137-P169 HydrophobicContact CD1-CB 4.32Å; Y137-P169 HydrophobicContact CD1-CG 4.48Å; Y137-P169 HydrophobicContact CE1-CB 4.01Å; Y137-P169 HydrophobicContact CE1-CG 3.72Å; Y137-I171 HydrophobicContact CD1-CG2 4.13Å; Y137-I171 HydrophobicContact CG-CG2 4.44Å; Y137-L172 HydrophobicContact CD1-CD1 3.86Å; Y137-L172 HydrophobicContact CD1-CD2 4.43Å; Y137-L172 HydrophobicContact CD1-CG 4.2Å; Y137-L172 HydrophobicContact CE1-CD1 3.99Å; Y137-E244 HydrophobicContact CE1-CG 3.65Å; Y137-E244 PolarHBondContact OH-OE1 2.78Å
138	R	94.7	Very high	96.3	Very high	146 Å²	146	55.2 Å²	55.2	55%	0.551	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-24.7	-179.2	-67.6	-170.2	179.3	89	1	113.1	I61 L65 D136	I61-R138 VanDerWaalsContact CG2-NH2 3.27Å; L65-R138 HydrophobicContact CD1-CG 4.06Å; D136-R138 PolarHBondContact O-N 3.01Å; D136-R138 PolarHBondContact OD1-N 3.13Å
139	H	95.2	Very high	96.4	Very high	147 Å²	147	50.6 Å²	50.6	68%	0.681	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-5.9	-177.5	-63.6	100.5	0	0	0	112.9	D136	D136-H139 PolarHBondContact O-N 3.21Å; D136-H139 VanDerWaalsContact O-N 3.09Å; D136-H139 IonicContact OD1-ND1 2.7Å; D136-H139 PolarHBondContact OD1-ND1 3.45Å; D136-H139 IonicContact OD2-CE1 3.54Å; D136-H139 IonicContact OD2-CG 3.47Å; D136-H139 IonicContact OD2-ND1 3.97Å; D136-H139 PolarHBondContact OD2-ND1 2.87Å
140	L	97.9	Very high	96.5	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.105	24%	0.236	C	C	.	.	S	Bend	trans	-70.9	141.2	171.4	-70.5	-175.5	0	0	0	111.2	F135 D136 L172 E244 E248	F135-L140 HydrophobicContact CB-CD1 4.13Å; D136-L140 WeakPolarHBondContact O-CG 3.45Å; D136-L140 PolarHBondContact O-N 2.76Å; L140-L172 HydrophobicContact CB-CD2 3.58Å; L140-L172 HydrophobicContact CD1-CD1 3.9Å; L140-L172 HydrophobicContact CD1-CD2 4.23Å; L140-E244 HydrophobicContact CD1-CB 4.34Å; L140-E244 HydrophobicContact CD1-CG 4.45Å; L140-E248 VanDerWaalsContact CD2-CA 3.45Å; L140-E248 HydrophobicContact CD2-CB 3.78Å; L140-E248 HydrophobicContact CD2-CG 4.29Å
141	P	98.4	Very high	96.6	Very high	23 Å²	23	50.7 Å²	50.7	15%	0.149	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-67.7	154	176.7	28.1	-34.8	0	0	0	111.3	D227 V228 L247 A251	P141-D227 HydrophobicContact CB-CB 3.87Å; P141-V228 HydrophobicContact CB-CG2 3.94Å; P141-V228 HydrophobicContact CG-CG2 3.81Å; P141-L247 HydrophobicContact CG-CB 4.12Å; P141-L247 HydrophobicContact CG-CD2 4.38Å; P141-L247 WeakPolarHBondContact O-CD1 3.38Å; P141-A251 HydrophobicContact CG-CB 4.41Å
142	T	98.8	Very high	96.8	Very high	36 Å²	36	45.7 Å²	45.7	22%	0.221	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-80.4	153.6	172.1	62.9	0	0	0	0	111.2	L172 D227 V228	T142-L172 CarbonylContact C-O 3.37Å; T142-L172 WeakPolarHBondContact CA-O 3.27Å; T142-D227 PolarHBondContact N-OD2 3.38Å; T142-D227 PolarHBondContact O-N 2.85Å; T142-D227 PolarHBondContact OG1-N 3.14Å; T142-D227 PolarHBondContact OG1-OD2 2.85Å; T142-V228 PolarHBondContact O-N 3.06Å
143	T	98.9	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.6	178.6	-173.2	0	0	0	0	113.1	V145 L172 K174 V228 T230 I243 L247	T143-V145 HydrophobicContact CG2-CG2 4.33Å; T143-L172 PolarHBondContact N-O 2.93Å; T143-K174 VanDerWaalsContact O-CB 3.31Å; T143-K174 WeakPolarHBondContact O-CB 3.17Å; T143-K174 PolarHBondContact O-N 2.85Å; T143-V228 CarbonylContact C-O 3.56Å; T143-V228 VanDerWaalsContact CA-O 3.27Å; T143-V228 WeakPolarHBondContact CA-O 3.41Å; T143-V228 PolarHBondContact OG1-O 2.8Å; T143-T230 WeakPolarHBondContact OG1-CB 3.33Å; T143-T230 PolarHBondContact OG1-OG1 3.43Å; T143-I243 HydrophobicContact CG2-CD1 4.26Å; T143-I243 HydrophobicContact CG2-CG1 4.19Å; T143-L247 HydrophobicContact CG2-CD1 4.25Å; T143-L247 HydrophobicContact CG2-CD2 4.46Å
144	S	98.9	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.2	161	-65.6	0	0	0	0	108.6	E175 T225 G226 V228 T230	S144-E175 WeakPolarHBondContact CA-O 3.42Å; S144-E175 WeakPolarHBondContact OG-CG 3.06Å; S144-E175 PolarHBondContact OG-OE1 2.86Å; S144-E175 VanDerWaalsContact OG-OE1 3.13Å; S144-T225 PolarHBondContact OG-N 3.06Å; S144-G226 PolarHBondContact OG-N 3.36Å; S144-V228 PolarHBondContact N-O 3.43Å; S144-T230 PolarHBondContact O-N 3.15Å
145	V	98.9	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.8	176.2	179.3	0	0	0	0	108.7	T143 I147 V164 L173 E175 I176 I177 T230 L232	T143-V145 HydrophobicContact CG2-CG2 4.33Å; V145-I147 HydrophobicContact CG1-CD1 4.31Å; V145-I147 HydrophobicContact CG1-CG1 4.19Å; V145-V164 HydrophobicContact CB-CG1 4.28Å; V145-V164 HydrophobicContact CG1-CG1 4.17Å; V145-V164 HydrophobicContact CG1-CG2 4.3Å; V145-V164 HydrophobicContact CG2-CG1 3.95Å; V145-L173 HydrophobicContact CB-CD1 4.42Å; V145-L173 HydrophobicContact CG2-CD1 3.72Å; V145-E175 PolarHBondContact N-O 3.14Å; V145-I176 HydrophobicContact CB-CG1 4.38Å; V145-I176 CarbonylContact O-C 3.52Å; V145-I176 WeakPolarHBondContact O-CA 3.37Å; V145-I177 PolarHBondContact O-N 2.9Å; V145-T230 CarbonylContact C-O 3.53Å; V145-T230 VanDerWaalsContact CA-O 3.26Å; V145-T230 WeakPolarHBondContact CA-O 3.46Å; V145-L232 HydrophobicContact CG1-CD1 3.9Å; V145-L232 HydrophobicContact CG1-CG 4.28Å
146	I	98.9	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.3	-176.5	-62.3	161.1	0	0	0	108.9	I177 I179 A221 A224 L229 T230 F231 L232	I146-I177 WeakPolarHBondContact CA-O 3.28Å; I146-I177 HydrophobicContact CG1-CB 4.44Å; I146-I179 HydrophobicContact CG2-CG1 4.4Å; I146-A221 HydrophobicContact CD1-CB 4.2Å; I146-A224 HydrophobicContact CD1-CB 4.34Å; I146-L229 HydrophobicContact CD1-CB 4.35Å; I146-L229 HydrophobicContact CD1-CD2 4.07Å; I146-T230 PolarHBondContact N-O 2.97Å; I146-F231 HydrophobicContact CB-CD1 3.83Å; I146-F231 HydrophobicContact CB-CE1 3.99Å; I146-F231 HydrophobicContact CD1-CD1 4.2Å; I146-F231 HydrophobicContact CD1-CE1 3.55Å; I146-F231 HydrophobicContact CD1-CZ 3.89Å; I146-F231 HydrophobicContact CG1-CE1 4.4Å; I146-F231 HydrophobicContact CG2-CD1 3.95Å; I146-F231 HydrophobicContact CG2-CE1 3.97Å; I146-L232 PolarHBondContact O-N 3.45Å; I146-L232 VanDerWaalsContact O-N 3.07Å
147	I	98.8	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	105.2	179.8	-58.8	165.8	0	0	0	108.3	V145 T160 I176 I177 L178 I179 L232 C234	V145-I147 HydrophobicContact CG1-CD1 4.31Å; V145-I147 HydrophobicContact CG1-CG1 4.19Å; I147-T160 HydrophobicContact CD1-CG2 3.92Å; I147-I176 HydrophobicContact CD1-CG2 3.96Å; I147-I177 PolarHBondContact N-O 2.95Å; I147-L178 HydrophobicContact CB-CD2 3.92Å; I147-L178 HydrophobicContact CD1-CD2 4.04Å; I147-L178 HydrophobicContact CG1-CD2 4.5Å; I147-L178 HydrophobicContact CG2-CD2 4.41Å; I147-L178 CarbonylContact O-C 3.57Å; I147-L178 WeakPolarHBondContact O-CA 3.48Å; I147-I179 PolarHBondContact O-N 3.5Å; I147-L232 HydrophobicContact CG1-CB 4.14Å; I147-C234 HydrophobicContact CG2-CB 3.67Å
148	A	98.1	Very high	98	Very high	6 Å²	6	26.3 Å²	26.3	5%	0.05	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.3	171.1	0	0	0	0	0	109.8	I179 L213 A216 R217	A148-I179 HydrophobicContact CB-CB 4.32Å; A148-L213 HydrophobicContact CB-CD1 4.18Å; A148-A216 HydrophobicContact CB-CB 3.86Å; A148-R217 HydrophobicContact CB-CG 4.22Å
149	F	97.9	Very high	98.2	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.022	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.2	179.9	69.6	-87.2	0	0	0	112	E152 L157 L178 I179 D180 D181 L188 L192 L204 C234	F149-E152 HydrophobicContact CB-CB 4.21Å; F149-L157 HydrophobicContact CB-CD1 4.32Å; F149-L157 HydrophobicContact CD1-CD1 4.22Å; F149-L157 HydrophobicContact CD2-CD2 4.17Å; F149-L157 HydrophobicContact CE2-CD2 4.21Å; F149-L157 HydrophobicContact CG-CD1 4.23Å; F149-L157 HydrophobicContact CG-CD2 4.33Å; F149-L157 HydrophobicContact CZ-CD2 4.4Å; F149-L178 HydrophobicContact CE1-CB 4.03Å; F149-I179 VanDerWaalsContact CD1-O 3.3Å; F149-I179 WeakPolarHBondContact CD1-O 3.43Å; F149-I179 PolarHBondContact N-O 2.91Å; F149-D180 HydrophobicContact CE1-CB 3.99Å; F149-D180 HydrophobicContact CE2-CB 3.86Å; F149-D180 HydrophobicContact CZ-CB 3.44Å; F149-D180 VanDerWaalsContact CZ-CB 3.44Å; F149-D181 PolarHBondContact O-N 3.45Å; F149-L188 HydrophobicContact CD2-CD1 4.17Å; F149-L188 HydrophobicContact CD2-CD2 4.43Å; F149-L188 HydrophobicContact CE2-CB 4.3Å; F149-L188 HydrophobicContact CE2-CD1 4.05Å; F149-L188 HydrophobicContact CE2-CD2 4.03Å; F149-L188 HydrophobicContact CE2-CG 4.34Å; F149-L192 HydrophobicContact CE1-CD2 4.41Å; F149-L192 HydrophobicContact CE2-CD2 4.1Å; F149-L192 HydrophobicContact CZ-CD2 3.59Å; F149-L204 HydrophobicContact CE1-CD1 3.89Å; F149-L204 HydrophobicContact CZ-CD1 3.94Å; F149-C234 HydrophobicContact CB-CB 3.67Å; F149-C234 VanDerWaalsContact CB-SG 3.52Å
150	Y	96.9	Very high	98.4	Very high	65 Å²	65	12.6 Å²	12.6	26%	0.255	6%	0.061	S	C	.	.	S	Bend	trans	-140.9	116.7	172.4	171.3	-103.5	0	0	0	109.5	E152 D181 S183 R210	Y150-E152 PolarHBondContact O-N 2.57Å; Y150-E152 VanDerWaalsContact O-N 3.07Å; Y150-D181 WeakPolarHBondContact CD2-O 3.45Å; Y150-S183 WeakPolarHBondContact CA-OG 3.46Å; Y150-R210 VanDerWaalsContact CD1-CZ 3.41Å; Y150-R210 PolarHBondContact OH-NH1 3.32Å
151	N	96.7	Very high	98.4	Very high	21 Å²	21	11.6 Å²	11.6	11%	0.112	6%	0.056	C	C	.	.	S	Bend	trans	54	26.2	178	-72.8	-7.2	0	0	0	114.6	S183 D184 R185	N151-S183 PolarHBondContact N-OG 3.23Å; N151-S183 VanDerWaalsContact OD1-CA 3.26Å; N151-S183 WeakPolarHBondContact OD1-CA 3.21Å; N151-S183 WeakPolarHBondContact OD1-CB 3.35Å; N151-D184 VanDerWaalsContact ND2-CG 3.28Å; N151-D184 PolarHBondContact ND2-OD1 3.39Å; N151-D184 VanDerWaalsContact ND2-OD1 3.13Å; N151-D184 PolarHBondContact ND2-OD2 2.67Å; N151-D184 PolarHBondContact OD1-N 2.93Å; N151-D184 PolarHBondContact OD1-OD1 3.39Å; N151-D184 VanDerWaalsContact OD1-OD1 3.11Å; N151-R185 HydrophobicContact CB-CG 4.12Å
152	E	98.1	Very high	98.5	Very high	19 Å²	19	10.9 Å²	10.9	9%	0.089	5%	0.051	C	C	.	.			trans	-66	148.8	177.8	-169.8	56.2	-115.5	0	0	111.3	F149 Y150 T156 L157 Y187 C234 H235	F149-E152 HydrophobicContact CB-CB 4.21Å; Y150-E152 PolarHBondContact O-N 2.57Å; Y150-E152 VanDerWaalsContact O-N 3.07Å; E152-T156 PolarHBondContact OE1-OG1 3.44Å; E152-L157 HydrophobicContact CB-CB 4.47Å; E152-L157 HydrophobicContact CG-CB 3.99Å; E152-Y187 WeakPolarHBondContact O-CE2 3.47Å; E152-Y187 PolarHBondContact O-OH 3.03Å; E152-C234 HydrophobicContact CB-CB 4.41Å; E152-C234 HydrophobicContact CG-CB 3.92Å; E152-C234 PolarHBondContact OE2-SG 2.88Å; E152-H235 IonicContact OE1-ND1 3.89Å; E152-H235 IonicContact OE2-CE1 2.76Å; E152-H235 PolarHBondContact OE2-CE1 3.47Å; E152-H235 IonicContact OE2-CG 3.6Å; E152-H235 IonicContact OE2-ND1 2.7Å; E152-H235 PolarHBondContact OE2-ND1 2.87Å
153	A	98.1	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.042	C	C	.	.			trans	-69.3	152.1	176.6	0	0	0	0	0	111.8	Y106 I110 S155 T156 L157	Y106-A153 HydrophobicContact CD1-CB 4.25Å; Y106-A153 HydrophobicContact CE1-CB 4.15Å; I110-A153 HydrophobicContact CB-CB 4.41Å; I110-A153 HydrophobicContact CD1-CB 3.36Å; I110-A153 HydrophobicContact CG1-CB 3.65Å; I110-A153 HydrophobicContact CG2-CB 3.83Å; A153-S155 PolarHBondContact O-N 3.15Å; A153-T156 PolarHBondContact O-OG1 3.24Å; A153-T156 VanDerWaalsContact O-OG1 3.09Å; A153-L157 WeakPolarHBondContact O-CB 3.36Å; A153-L157 PolarHBondContact O-N 2.84Å; A153-L157 VanDerWaalsContact O-N 3.11Å
154	W	98.6	Very high	98.5	Very high	57 Å²	57	9.4 Å²	9.4	22%	0.216	4%	0.042	C	C	.	.	H	α-helix	trans	-60.2	-49.1	-176.3	179.4	-97.7	0	0	0	112.5	L158 Y187 Q191 L192 Y195	W154-L158 HydrophobicContact CD2-CD1 4.03Å; W154-L158 HydrophobicContact CD2-CG 4.35Å; W154-L158 HydrophobicContact CG-CD1 4.45Å; W154-L158 HydrophobicContact CH2-CD1 4.27Å; W154-L158 HydrophobicContact CZ2-CD1 3.48Å; W154-L158 VanDerWaalsContact CZ2-CD1 3.48Å; W154-L158 HydrophobicContact CZ2-CG 4.38Å; W154-L158 VanDerWaalsContact NE1-CD1 3.32Å; W154-L158 WeakPolarHBondContact O-CB 3.41Å; W154-L158 WeakPolarHBondContact O-CG 3.41Å; W154-L158 PolarHBondContact O-N 2.66Å; W154-Y187 HydrophobicContact CB-CD2 4.29Å; W154-Y187 HydrophobicContact CB-CE2 4.46Å; W154-Y187 HydrophobicContact CE3-CD2 4.11Å; W154-Y187 WeakPolarHBondContact CZ3-O 3.26Å; W154-Q191 HydrophobicContact CH2-CG 3.71Å; W154-Q191 HydrophobicContact CZ2-CG 4.37Å; W154-Q191 HydrophobicContact CZ3-CB 4.48Å; W154-Q191 HydrophobicContact CZ3-CG 3.99Å; W154-L192 HydrophobicContact CZ3-CB 3.96Å; W154-L192 HydrophobicContact CZ3-CD1 4.12Å; W154-Y195 HydrophobicContact CH2-CD2 4.43Å; W154-Y195 HydrophobicContact CH2-CG 4.15Å; W154-Y195 AromaticContact CZ2-CD2 3.96Å; W154-Y195 HydrophobicContact CZ2-CD2 3.96Å; W154-Y195 HydrophobicContact CZ2-CG 4.07Å
155	S	98.6	Very high	98.4	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.028	4%	0.042	C	C	.	.	H	α-helix	trans	-67.8	-41.4	-175.7	50.2	0	0	0	0	112.9	S113 D114 L118 A153 R159	S113-S155 WeakPolarHBondContact CB-OG 3.22Å; S113-S155 WeakPolarHBondContact OG-CB 3.47Å; S113-S155 PolarHBondContact OG-OG 3.18Å; D114-S155 WeakPolarHBondContact OD1-CB 3.31Å; D114-S155 PolarHBondContact OD1-OG 3.07Å; L118-S155 WeakPolarHBondContact CD2-O 3.25Å; A153-S155 PolarHBondContact O-N 3.15Å; S155-R159 WeakPolarHBondContact O-CB 3.34Å; S155-R159 PolarHBondContact O-N 3.45Å
156	T	98.6	Very high	98.4	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-67.2	-45.4	178	48.2	0	0	0	0	112	I110 E152 A153 R159 T160 C234 H235 F270	I110-T156 HydrophobicContact CD1-CG2 3.95Å; E152-T156 PolarHBondContact OE1-OG1 3.44Å; A153-T156 PolarHBondContact O-OG1 3.24Å; A153-T156 VanDerWaalsContact O-OG1 3.09Å; T156-R159 PolarHBondContact O-N 3.28Å; T156-T160 PolarHBondContact O-N 2.93Å; T156-T160 PolarHBondContact O-OG1 2.61Å; T156-C234 CarbonylContact C-O 3.48Å; T156-H235 HydrophobicContact CG2-CB 4.46Å; T156-F270 HydrophobicContact CG2-CE1 4.15Å; T156-F270 HydrophobicContact CG2-CZ 4.08Å
157	L	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.4	-50.7	177	176.7	61.9	0	0	0	111.5	F149 E152 A153 T160 I161 L188 L192 C234	F149-L157 HydrophobicContact CB-CD1 4.32Å; F149-L157 HydrophobicContact CD1-CD1 4.22Å; F149-L157 HydrophobicContact CD2-CD2 4.17Å; F149-L157 HydrophobicContact CE2-CD2 4.21Å; F149-L157 HydrophobicContact CG-CD1 4.23Å; F149-L157 HydrophobicContact CG-CD2 4.33Å; F149-L157 HydrophobicContact CZ-CD2 4.4Å; E152-L157 HydrophobicContact CB-CB 4.47Å; E152-L157 HydrophobicContact CG-CB 3.99Å; A153-L157 WeakPolarHBondContact O-CB 3.36Å; A153-L157 PolarHBondContact O-N 2.84Å; A153-L157 VanDerWaalsContact O-N 3.11Å; L157-T160 WeakPolarHBondContact O-CB 3.35Å; L157-T160 PolarHBondContact O-N 2.73Å; L157-I161 HydrophobicContact CD1-CD1 4.23Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3.06Å; L157-I161 VanDerWaalsContact O-N 3.12Å; L157-L188 HydrophobicContact CD2-CD2 3.68Å; L157-L192 HydrophobicContact CD2-CD1 4.12Å; L157-L192 HydrophobicContact CD2-CD2 3.99Å; L157-C234 WeakPolarHBondContact CA-O 3.49Å; L157-C234 HydrophobicContact CD1-CB 3.81Å; L157-C234 PolarHBondContact N-O 3.09Å
158	L	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.1	-37.5	-179	-71.1	-167.5	0	0	0	112.8	L118 W154 T160 I161 H162 L192 Y195	L118-L158 HydrophobicContact CD1-CB 3.94Å; L118-L158 HydrophobicContact CD1-CD1 3.88Å; L118-L158 HydrophobicContact CD2-CB 4.21Å; W154-L158 HydrophobicContact CD2-CD1 4.03Å; W154-L158 HydrophobicContact CD2-CG 4.35Å; W154-L158 HydrophobicContact CG-CD1 4.45Å; W154-L158 HydrophobicContact CH2-CD1 4.27Å; W154-L158 HydrophobicContact CZ2-CD1 3.48Å; W154-L158 VanDerWaalsContact CZ2-CD1 3.48Å; W154-L158 HydrophobicContact CZ2-CG 4.38Å; W154-L158 VanDerWaalsContact NE1-CD1 3.32Å; W154-L158 WeakPolarHBondContact O-CB 3.41Å; W154-L158 WeakPolarHBondContact O-CG 3.41Å; W154-L158 PolarHBondContact O-N 2.66Å; L158-T160 VanDerWaalsContact C-N 3.25Å; L158-T160 PolarHBondContact O-N 3.15Å; L158-I161 HydrophobicContact CD2-CD1 3.98Å; L158-I161 PolarHBondContact O-N 2.85Å; L158-H162 PolarHBondContact O-CD2 3.12Å; L158-H162 VanDerWaalsContact O-CD2 3.23Å; L158-H162 PolarHBondContact O-N 2.85Å; L158-L192 HydrophobicContact CD2-CD1 4.05Å; L158-Y195 HydrophobicContact CD1-CD1 3.9Å; L158-Y195 HydrophobicContact CD1-CD2 4.31Å; L158-Y195 HydrophobicContact CD1-CE1 3.57Å; L158-Y195 HydrophobicContact CD1-CE2 4.01Å; L158-Y195 HydrophobicContact CD1-CG 4.26Å; L158-Y195 HydrophobicContact CD2-CD1 3.6Å; L158-Y195 HydrophobicContact CD2-CE1 3.64Å; L158-Y195 HydrophobicContact CD2-CG 4.48Å; L158-Y195 HydrophobicContact CG-CD1 4.43Å; L158-Y195 HydrophobicContact CG-CE1 4.2Å
159	R	98.8	Very high	98.4	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.015	5%	0.047	C	C	.	.	H	α-helix	trans	-61.9	-37.3	175	-171.2	176.8	-58.4	111.3	6.6	111.1	S113 I116 S117 L118 S155 T156 S163 E237	S113-R159 PolarHBondContact O-NH2 2.95Å; S113-R159 PolarHBondContact OG-NH1 2.77Å; S113-R159 PolarHBondContact OG-NH2 2.83Å; I116-R159 PolarHBondContact O-NH2 3.07Å; S117-R159 PolarHBondContact O-NE 3.42Å; L118-R159 HydrophobicContact CD2-CB 4.28Å; S155-R159 WeakPolarHBondContact O-CB 3.34Å; S155-R159 PolarHBondContact O-N 3.45Å; T156-R159 PolarHBondContact O-N 3.28Å; R159-S163 WeakPolarHBondContact O-CB 3.45Å; R159-S163 PolarHBondContact O-N 3.39Å; R159-E237 WeakPolarHBondContact CD-OE1 3.38Å; R159-E237 WeakPolarHBondContact CD-OE2 3.49Å; R159-E237 HydrophobicContact CG-CG 4.12Å
160	T	98.9	Very high	98.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-61.5	-48.2	173	-53.1	0	0	0	0	111.5	I147 T156 L157 L158 S163 V164 D233 C234 H235 C236	I147-T160 HydrophobicContact CD1-CG2 3.92Å; T156-T160 PolarHBondContact O-N 2.93Å; T156-T160 PolarHBondContact O-OG1 2.61Å; L157-T160 WeakPolarHBondContact O-CB 3.35Å; L157-T160 PolarHBondContact O-N 2.73Å; L158-T160 VanDerWaalsContact C-N 3.25Å; L158-T160 PolarHBondContact O-N 3.15Å; T160-S163 PolarHBondContact O-N 3.14Å; T160-V164 WeakPolarHBondContact O-CG2 3.48Å; T160-V164 PolarHBondContact O-N 3.37Å; T160-D233 WeakPolarHBondContact CG2-O 3.5Å; T160-C234 PolarHBondContact OG1-O 3.43Å; T160-C234 VanDerWaalsContact OG1-O 3.09Å; T160-H235 WeakPolarHBondContact OG1-CA 3.49Å; T160-H235 PolarHBondContact OG1-N 3.46Å; T160-C236 VanDerWaalsContact CA-O 3.29Å; T160-C236 WeakPolarHBondContact CA-O 3.43Å; T160-C236 HydrophobicContact CG2-CB 4.08Å; T160-C236 PolarHBondContact OG1-N 3.38Å; T160-C236 PolarHBondContact OG1-O 2.98Å
161	I	98.8	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.2	-50.7	179.8	-65.8	161.4	0	0	0	111	L157 L158 V164 L165 L178 L199 V202	L157-I161 HydrophobicContact CD1-CD1 4.23Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3.06Å; L157-I161 VanDerWaalsContact O-N 3.12Å; L158-I161 HydrophobicContact CD2-CD1 3.98Å; L158-I161 PolarHBondContact O-N 2.85Å; I161-V164 PolarHBondContact O-N 3.45Å; I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.63Å; I161-L178 HydrophobicContact CD1-CD1 3.52Å; I161-L178 HydrophobicContact CD1-CD2 4.02Å; I161-L178 HydrophobicContact CD1-CG 4.42Å; I161-L178 HydrophobicContact CG1-CD1 4.21Å; I161-L178 HydrophobicContact CG1-CD2 3.88Å; I161-L199 HydrophobicContact CG2-CD1 3.92Å; I161-V202 HydrophobicContact CG2-CG2 4.21Å
162	H	98.8	Very high	98.5	Very high	8 Å²	8	10.8 Å²	10.8	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-63.9	-42.6	179	-76.6	-57.7	0	0	0	111.7	H119 L158 V164 L165 E166 Y195	H119-H162 AromaticContact CE1-CD2 3.66Å; H119-H162 AromaticContact CE1-CE1 3.58Å; H119-H162 AromaticContact CE1-CG 3.56Å; H119-H162 AromaticContact CE1-ND1 3.54Å; H119-H162 AromaticContact CE1-NE2 3.65Å; H119-H162 AromaticContact ND1-CG 3.76Å; H119-H162 AromaticContact ND1-ND1 3.92Å; L158-H162 PolarHBondContact O-CD2 3.12Å; L158-H162 VanDerWaalsContact O-CD2 3.23Å; L158-H162 PolarHBondContact O-N 2.85Å; H162-V164 VanDerWaalsContact C-N 3.31Å; H162-V164 PolarHBondContact O-N 3.46Å; H162-L165 PolarHBondContact O-N 3.08Å; H162-L165 VanDerWaalsContact O-N 3.15Å; H162-E166 WeakPolarHBondContact O-CB 3.17Å; H162-E166 WeakPolarHBondContact O-CG 3.13Å; H162-E166 PolarHBondContact O-N 3.43Å; H162-Y195 AromaticContact NE2-CE1 3.64Å; H162-Y195 AromaticContact NE2-CZ 3.67Å; H162-Y195 PolarHBondContact NE2-OH 3.15Å
163	S	98.8	Very high	98.5	Very high	5 Å²	5	9.9 Å²	9.9	4%	0.035	5%	0.052	C	C	.	.	H	α-helix	trans	-56.4	-44.8	176.6	-175.3	0	0	0	0	111.9	R159 T160 E166 T167 C238	R159-S163 WeakPolarHBondContact O-CB 3.45Å; R159-S163 PolarHBondContact O-N 3.39Å; T160-S163 PolarHBondContact O-N 3.14Å; S163-E166 PolarHBondContact O-N 3.44Å; S163-T167 WeakPolarHBondContact O-CB 3.49Å; S163-T167 WeakPolarHBondContact O-CG2 3.36Å; S163-T167 PolarHBondContact O-N 3.37Å; S163-T167 PolarHBondContact O-OG1 3.16Å; S163-C238 WeakPolarHBondContact OG-CB 3.06Å; S163-C238 PolarHBondContact OG-N 3.25Å
164	V	98.8	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.6	-49.4	175	174.8	0	0	0	0	111.1	V145 T160 I161 H162 E166 T167 T168 L173 I176 L232	V145-V164 HydrophobicContact CB-CG1 4.28Å; V145-V164 HydrophobicContact CG1-CG1 4.17Å; V145-V164 HydrophobicContact CG1-CG2 4.3Å; V145-V164 HydrophobicContact CG2-CG1 3.95Å; T160-V164 WeakPolarHBondContact O-CG2 3.48Å; T160-V164 PolarHBondContact O-N 3.37Å; I161-V164 PolarHBondContact O-N 3.45Å; H162-V164 VanDerWaalsContact C-N 3.31Å; H162-V164 PolarHBondContact O-N 3.46Å; V164-E166 PolarHBondContact O-N 3.39Å; V164-T167 PolarHBondContact O-N 3.44Å; V164-T168 WeakPolarHBondContact O-CB 3.26Å; V164-T168 PolarHBondContact O-N 3.49Å; V164-T168 VanDerWaalsContact O-N 3.07Å; V164-T168 PolarHBondContact O-OG1 2.95Å; V164-L173 HydrophobicContact CG1-CD1 4.41Å; V164-L173 HydrophobicContact CG1-CD2 4.24Å; V164-I176 HydrophobicContact CB-CD1 3.88Å; V164-I176 HydrophobicContact CG1-CD1 3.55Å; V164-I176 HydrophobicContact CG1-CG1 3.94Å; V164-L232 HydrophobicContact CG2-CD1 3.57Å
165	L	98.8	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.3	-32	-179.5	-77.6	176.1	0	0	0	113.6	V69 Y70 I161 H162 L173 I176 L199 V202	V69-L165 HydrophobicContact CB-CD2 4.28Å; V69-L165 HydrophobicContact CG1-CD2 4.31Å; V69-L165 PolarHBondContact N-O 3.44Å; Y70-L165 HydrophobicContact CD2-CB 3.91Å; Y70-L165 HydrophobicContact CD2-CD1 3.95Å; Y70-L165 HydrophobicContact CD2-CD2 4.06Å; Y70-L165 HydrophobicContact CD2-CG 4.19Å; Y70-L165 HydrophobicContact CE2-CD1 3.98Å; Y70-L165 HydrophobicContact CE2-CD2 4.1Å; Y70-L165 HydrophobicContact CE2-CG 4.48Å; Y70-L165 PolarHBondContact N-O 2.99Å; I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.63Å; H162-L165 PolarHBondContact O-N 3.08Å; H162-L165 VanDerWaalsContact O-N 3.15Å; L165-L173 HydrophobicContact CD2-CD2 4.17Å; L165-I176 HydrophobicContact CD2-CD1 3.65Å; L165-I176 HydrophobicContact CG-CD1 3.63Å; L165-L199 HydrophobicContact CD1-CB 4.31Å; L165-L199 HydrophobicContact CD1-CD1 4.1Å; L165-L199 HydrophobicContact CD1-CD2 4.36Å; L165-L199 HydrophobicContact CD1-CG 4.5Å; L165-V202 HydrophobicContact CD1-CG2 4.04Å; L165-V202 HydrophobicContact CD2-CG2 4.3Å
166	E	98.6	Very high	98.5	Very high	14 Å²	14	12.6 Å²	12.6	7%	0.065	7%	0.065	C	C	.	.	H	α-helix	trans	-98	-11.9	-172	-68.3	168.6	168.9	0	0	114.2	P68 Y70 K72 H119 H162 S163 V164	P68-E166 VanDerWaalsContact CB-O 3.31Å; P68-E166 WeakPolarHBondContact CB-O 3.45Å; P68-E166 WeakPolarHBondContact CG-O 3.49Å; Y70-E166 WeakPolarHBondContact O-CA 3.36Å; K72-E166 HydrophobicContact CD-CB 4.49Å; K72-E166 WeakPolarHBondContact CE-OE2 3.41Å; K72-E166 HydrophobicContact CG-CB 3.76Å; K72-E166 HydrophobicContact CG-CG 4.07Å; K72-E166 WeakPolarHBondContact CG-OE2 3.34Å; K72-E166 IonicContact NZ-OE2 3.66Å; K72-E166 PolarHBondContact NZ-OE2 3.41Å; H119-E166 IonicContact CE1-OE1 3.84Å; H119-E166 IonicContact CG-OE1 3.42Å; H119-E166 IonicContact ND1-OE1 2.68Å; H119-E166 PolarHBondContact ND1-OE1 3.18Å; H119-E166 IonicContact ND1-OE2 3.25Å; H162-E166 WeakPolarHBondContact O-CB 3.17Å; H162-E166 WeakPolarHBondContact O-CG 3.13Å; H162-E166 PolarHBondContact O-N 3.43Å; S163-E166 PolarHBondContact O-N 3.44Å; V164-E166 PolarHBondContact O-N 3.39Å
167	T	97.9	Very high	98.6	Very high	13 Å²	13	12.4 Å²	12.4	8%	0.08	6%	0.064	C	C	.	.	H	α-helix	trans	-119.9	-5.5	-179.5	63.6	0	0	0	0	113.7	S163 V164 C238 W242	S163-T167 WeakPolarHBondContact O-CB 3.49Å; S163-T167 WeakPolarHBondContact O-CG2 3.36Å; S163-T167 PolarHBondContact O-N 3.37Å; S163-T167 PolarHBondContact O-OG1 3.16Å; V164-T167 PolarHBondContact O-N 3.44Å; T167-C238 VanDerWaalsContact OG1-CB 3.29Å; T167-C238 WeakPolarHBondContact OG1-CB 3.49Å; T167-W242 PolarHBondContact OG1-NE1 3.21Å
168	T	98.2	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-103.8	121.5	179.8	-48.4	0	0	0	0	109.9	P68 V164 A170 L173 I243	P68-T168 VanDerWaalsContact CA-O 3.31Å; P68-T168 WeakPolarHBondContact CA-O 3.29Å; V164-T168 WeakPolarHBondContact O-CB 3.26Å; V164-T168 PolarHBondContact O-N 3.49Å; V164-T168 VanDerWaalsContact O-N 3.07Å; V164-T168 PolarHBondContact O-OG1 2.95Å; T168-A170 PolarHBondContact O-N 3.5Å; T168-L173 HydrophobicContact CG2-CB 3.67Å; T168-L173 HydrophobicContact CG2-CD1 4.24Å; T168-L173 HydrophobicContact CG2-CD2 4.32Å; T168-L173 HydrophobicContact CG2-CG 4.28Å; T168-I243 HydrophobicContact CG2-CB 4.41Å; T168-I243 HydrophobicContact CG2-CG1 4.32Å; T168-I243 HydrophobicContact CG2-CG2 3.91Å
169	P	98.1	Very high	98.6	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.013	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-54.1	133.9	177.1	-28	35.6	0	0	0	112.6	R67 Y137 I171 L172 L173 E244	R67-P169 WeakPolarHBondContact O-CA 3.33Å; Y137-P169 HydrophobicContact CD1-CB 4.32Å; Y137-P169 HydrophobicContact CD1-CG 4.48Å; Y137-P169 HydrophobicContact CE1-CB 4.01Å; Y137-P169 HydrophobicContact CE1-CG 3.72Å; P169-I171 HydrophobicContact CB-CG2 4.41Å; P169-I171 PolarHBondContact O-N 3.38Å; P169-I171 VanDerWaalsContact O-N 3.16Å; P169-L172 HydrophobicContact CB-CD1 4.14Å; P169-L172 HydrophobicContact CB-CG 4.15Å; P169-L172 HydrophobicContact CG-CD1 4.13Å; P169-L172 PolarHBondContact O-N 3.4Å; P169-L173 PolarHBondContact O-N 3.38Å; P169-L173 VanDerWaalsContact O-N 3.08Å; P169-E244 HydrophobicContact CG-CG 4.42Å; P169-E244 WeakPolarHBondContact CG-OE1 3.34Å
170	A	97.6	Very high	98.5	Very high	28 Å²	28	12.3 Å²	12.3	23%	0.231	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.8	-174.1	0	0	0	0	0	113.2	R67 V69 T168 L172 R201	R67-A170 PolarHBondContact O-N 2.77Å; V69-A170 HydrophobicContact CG2-CB 3.95Å; T168-A170 PolarHBondContact O-N 3.5Å; A170-L172 VanDerWaalsContact C-N 3.34Å; A170-R201 PolarHBondContact O-NH1 3.38Å; A170-R201 PolarHBondContact O-NH2 2.93Å; A170-R201 VanDerWaalsContact O-NH2 3.12Å
171	I	97.7	Very high	98.5	Very high	67 Å²	67	12.4 Å²	12.4	34%	0.344	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.3	172.4	-171.8	165.8	0	0	0	112.4	L65 Y137 P169	L65-I171 HydrophobicContact CD2-CD1 3.97Å; L65-I171 WeakPolarHBondContact O-CG2 3.14Å; Y137-I171 HydrophobicContact CD1-CG2 4.13Å; Y137-I171 HydrophobicContact CG-CG2 4.44Å; P169-I171 HydrophobicContact CB-CG2 4.41Å; P169-I171 PolarHBondContact O-N 3.38Å; P169-I171 VanDerWaalsContact O-N 3.16Å
172	L	98.6	Very high	98.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-32.6	-175.4	-53.6	-178.4	0	0	0	112.8	Y137 L140 T142 T143 P169 A170 K174 E244 L247	Y137-L172 HydrophobicContact CD1-CD1 3.86Å; Y137-L172 HydrophobicContact CD1-CD2 4.43Å; Y137-L172 HydrophobicContact CD1-CG 4.2Å; Y137-L172 HydrophobicContact CE1-CD1 3.99Å; L140-L172 HydrophobicContact CB-CD2 3.58Å; L140-L172 HydrophobicContact CD1-CD1 3.9Å; L140-L172 HydrophobicContact CD1-CD2 4.23Å; T142-L172 CarbonylContact C-O 3.37Å; T142-L172 WeakPolarHBondContact CA-O 3.27Å; T143-L172 PolarHBondContact N-O 2.93Å; P169-L172 HydrophobicContact CB-CD1 4.14Å; P169-L172 HydrophobicContact CB-CG 4.15Å; P169-L172 HydrophobicContact CG-CD1 4.13Å; P169-L172 PolarHBondContact O-N 3.4Å; A170-L172 VanDerWaalsContact C-N 3.34Å; L172-K174 PolarHBondContact O-N 2.03Å; L172-E244 HydrophobicContact CD1-CG 3.95Å; L172-L247 HydrophobicContact CB-CD1 3.98Å; L172-L247 HydrophobicContact CD1-CD1 3.96Å; L172-L247 HydrophobicContact CG-CD1 4.39Å
173	L	98.7	Very high	98.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	100	-177.2	-174.5	53.3	0	0	0	112.1	V69 V145 V164 L165 T168 P169 I176 R201	V69-L173 HydrophobicContact CG2-CB 4.35Å; V69-L173 HydrophobicContact CG2-CD2 3.9Å; V145-L173 HydrophobicContact CB-CD1 4.42Å; V145-L173 HydrophobicContact CG2-CD1 3.72Å; V164-L173 HydrophobicContact CG1-CD1 4.41Å; V164-L173 HydrophobicContact CG1-CD2 4.24Å; L165-L173 HydrophobicContact CD2-CD2 4.17Å; T168-L173 HydrophobicContact CG2-CB 3.67Å; T168-L173 HydrophobicContact CG2-CD1 4.24Å; T168-L173 HydrophobicContact CG2-CD2 4.32Å; T168-L173 HydrophobicContact CG2-CG 4.28Å; P169-L173 PolarHBondContact O-N 3.38Å; P169-L173 VanDerWaalsContact O-N 3.08Å; L173-I176 HydrophobicContact CD1-CG1 4.15Å; L173-I176 HydrophobicContact CD2-CD1 4.27Å; L173-I176 HydrophobicContact CD2-CG1 4.15Å; L173-R201 PolarHBondContact O-NH1 3.35Å
174	K	98.7	Very high	98.2	Very high	106 Å²	106	21.8 Å²	21.8	46%	0.461	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-51.7	176.4	-172.1	67.3	171.2	-166.6	0	111.4	T143 L172	T143-K174 VanDerWaalsContact O-CB 3.31Å; T143-K174 WeakPolarHBondContact O-CB 3.17Å; T143-K174 PolarHBondContact O-N 2.85Å; L172-K174 PolarHBondContact O-N 2.03Å
175	E	98.7	Very high	98	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.051	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	154.6	-174.3	56.4	-167.4	142.5	0	0	111.2	S144 V145 I177 R201 R203 T225	S144-E175 WeakPolarHBondContact CA-O 3.42Å; S144-E175 WeakPolarHBondContact OG-CG 3.06Å; S144-E175 PolarHBondContact OG-OE1 2.86Å; S144-E175 VanDerWaalsContact OG-OE1 3.13Å; V145-E175 PolarHBondContact N-O 3.14Å; E175-I177 HydrophobicContact CG-CD1 4.08Å; E175-I177 HydrophobicContact CG-CG1 3.95Å; E175-R201 CarbonylContact C-O 3.55Å; E175-R201 WeakPolarHBondContact CA-O 3.46Å; E175-R203 WeakPolarHBondContact OE2-CD 3.39Å; E175-R203 IonicContact OE2-CZ 3.77Å; E175-R203 IonicContact OE2-NE 2.9Å; E175-R203 IonicContact OE2-NH1 3.35Å; E175-R203 PolarHBondContact OE2-NH1 3.03Å; E175-T225 WeakPolarHBondContact OE1-CB 3.45Å; E175-T225 PolarHBondContact OE1-N 3.23Å; E175-T225 PolarHBondContact OE1-OG1 2.84Å
176	I	98.9	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.4	164.2	-56.4	178.2	0	0	0	107.1	V145 I147 V164 L165 L173 L178 R201 V202 R203	V145-I176 HydrophobicContact CB-CG1 4.38Å; V145-I176 CarbonylContact O-C 3.52Å; V145-I176 WeakPolarHBondContact O-CA 3.37Å; I147-I176 HydrophobicContact CD1-CG2 3.96Å; V164-I176 HydrophobicContact CB-CD1 3.88Å; V164-I176 HydrophobicContact CG1-CD1 3.55Å; V164-I176 HydrophobicContact CG1-CG1 3.94Å; L165-I176 HydrophobicContact CD2-CD1 3.65Å; L165-I176 HydrophobicContact CG-CD1 3.63Å; L173-I176 HydrophobicContact CD1-CG1 4.15Å; L173-I176 HydrophobicContact CD2-CD1 4.27Å; L173-I176 HydrophobicContact CD2-CG1 4.15Å; I176-L178 HydrophobicContact CG2-CD2 3.8Å; I176-L178 HydrophobicContact CG2-CG 4.42Å; I176-R201 PolarHBondContact N-O 2.84Å; I176-V202 HydrophobicContact CB-CG2 4.41Å; I176-V202 HydrophobicContact CD1-CG2 4.37Å; I176-V202 WeakPolarHBondContact O-CA 3.23Å; I176-R203 PolarHBondContact O-N 3.17Å
177	I	98.9	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.2	-179.7	-55.1	178.1	0	0	0	108.3	V145 I146 I147 E175 I179 I205 A224	V145-I177 PolarHBondContact O-N 2.9Å; I146-I177 WeakPolarHBondContact CA-O 3.28Å; I146-I177 HydrophobicContact CG1-CB 4.44Å; I147-I177 PolarHBondContact N-O 2.95Å; E175-I177 HydrophobicContact CG-CD1 4.08Å; E175-I177 HydrophobicContact CG-CG1 3.95Å; I177-I179 HydrophobicContact CG2-CD1 3.54Å; I177-I179 HydrophobicContact CG2-CG1 4.43Å; I177-I205 HydrophobicContact CG2-CD1 3.68Å; I177-I205 HydrophobicContact CG2-CG1 4.46Å; I177-A224 HydrophobicContact CD1-CB 3.9Å
178	L	98.8	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.8	175.3	-52.4	-179.3	0	0	0	109.4	I147 F149 I161 I176 I196 V202 R203 L204 I205	I147-L178 HydrophobicContact CB-CD2 3.92Å; I147-L178 HydrophobicContact CD1-CD2 4.04Å; I147-L178 HydrophobicContact CG1-CD2 4.5Å; I147-L178 HydrophobicContact CG2-CD2 4.41Å; I147-L178 CarbonylContact O-C 3.57Å; I147-L178 WeakPolarHBondContact O-CA 3.48Å; F149-L178 HydrophobicContact CE1-CB 4.03Å; I161-L178 HydrophobicContact CD1-CD1 3.52Å; I161-L178 HydrophobicContact CD1-CD2 4.02Å; I161-L178 HydrophobicContact CD1-CG 4.42Å; I161-L178 HydrophobicContact CG1-CD1 4.21Å; I161-L178 HydrophobicContact CG1-CD2 3.88Å; I176-L178 HydrophobicContact CG2-CD2 3.8Å; I176-L178 HydrophobicContact CG2-CG 4.42Å; L178-I196 HydrophobicContact CD1-CD1 4.27Å; L178-I196 HydrophobicContact CD1-CG2 4.23Å; L178-V202 HydrophobicContact CD1-CG1 3.7Å; L178-V202 HydrophobicContact CG-CG1 4.06Å; L178-R203 PolarHBondContact N-O 3.46Å; L178-L204 HydrophobicContact CB-CD1 3.78Å; L178-L204 WeakPolarHBondContact O-CA 3.5Å; L178-I205 PolarHBondContact O-N 3.25Å
179	I	98.6	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.1	177.6	-47.3	-58	0	0	0	109.4	I146 I147 A148 F149 I177 D181 I205 T207 A216 I219	I146-I179 HydrophobicContact CG2-CG1 4.4Å; I147-I179 PolarHBondContact O-N 3.5Å; A148-I179 HydrophobicContact CB-CB 4.32Å; F149-I179 VanDerWaalsContact CD1-O 3.3Å; F149-I179 WeakPolarHBondContact CD1-O 3.43Å; F149-I179 PolarHBondContact N-O 2.91Å; I177-I179 HydrophobicContact CG2-CD1 3.54Å; I177-I179 HydrophobicContact CG2-CG1 4.43Å; I179-D181 PolarHBondContact O-N 3.41Å; I179-I205 WeakPolarHBondContact CA-O 3.41Å; I179-I205 HydrophobicContact CD1-CB 3.72Å; I179-I205 HydrophobicContact CD1-CD1 3.88Å; I179-I205 HydrophobicContact CD1-CG1 4.28Å; I179-I205 HydrophobicContact CD1-CG2 4.28Å; I179-T207 HydrophobicContact CG2-CG2 4.19Å; I179-A216 HydrophobicContact CG2-CB 3.87Å; I179-I219 HydrophobicContact CD1-CG2 4.42Å
180	D	98.5	Very high	97.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	102.9	169.2	179.6	16.7	0	0	0	108.8	F149 F182 S183 K189 L204 I205 R206 T207	F149-D180 HydrophobicContact CE1-CB 3.99Å; F149-D180 HydrophobicContact CE2-CB 3.86Å; F149-D180 HydrophobicContact CZ-CB 3.44Å; F149-D180 VanDerWaalsContact CZ-CB 3.44Å; D180-F182 PolarHBondContact O-N 3.26Å; D180-S183 WeakPolarHBondContact OD1-CB 3.43Å; D180-S183 PolarHBondContact OD1-N 2.8Å; D180-S183 PolarHBondContact OD1-OG 3.42Å; D180-K189 IonicContact OD2-NZ 2.69Å; D180-K189 PolarHBondContact OD2-NZ 3.32Å; D180-L204 HydrophobicContact CB-CD1 4.35Å; D180-I205 PolarHBondContact N-O 2.78Å; D180-R206 HydrophobicContact CB-CB 4.27Å; D180-R206 HydrophobicContact CB-CG 3.96Å; D180-R206 IonicContact OD2-CZ 2.97Å; D180-R206 IonicContact OD2-NH1 3.88Å; D180-R206 PolarHBondContact OD2-NH1 3.25Å; D180-T207 PolarHBondContact O-N 3.13Å; D180-T207 PolarHBondContact O-OG1 2.77Å
181	D	97.3	Very high	97.8	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.212	C	C	.	.			trans	-80.5	58.6	177	-176.6	25.8	0	0	0	111	F149 Y150 I179 S183 T207 R210 E211 G212 A216	F149-D181 PolarHBondContact O-N 3.45Å; Y150-D181 WeakPolarHBondContact CD2-O 3.45Å; I179-D181 PolarHBondContact O-N 3.41Å; D181-S183 PolarHBondContact O-N 2.99Å; D181-T207 WeakPolarHBondContact CA-OG1 3.19Å; D181-R210 WeakPolarHBondContact O-CD 3.35Å; D181-R210 IonicContact OD1-NE 3.46Å; D181-R210 WeakPolarHBondContact OD2-CD 3.4Å; D181-R210 IonicContact OD2-CZ 3.1Å; D181-R210 IonicContact OD2-NE 2.82Å; D181-R210 PolarHBondContact OD2-NE 2.88Å; D181-R210 IonicContact OD2-NH2 3.41Å; D181-E211 WeakPolarHBondContact OD1-CA 3.46Å; D181-E211 WeakPolarHBondContact OD1-CB 3.28Å; D181-E211 PolarHBondContact OD1-N 3.38Å; D181-G212 PolarHBondContact OD1-N 3.07Å; D181-G212 WeakPolarHBondContact OD2-CA 3.26Å; D181-G212 PolarHBondContact OD2-N 3.44Å; D181-A216 HydrophobicContact CB-CB 4.03Å
182	F	97.2	Very high	97.8	Very high	107 Å²	107	37.4 Å²	37.4	47%	0.469	20%	0.196	S	C	.	.	S	Bend	trans	60.4	44.9	176.3	-156.5	-107.9	0	0	0	114.3	D180 T207 N208 K209 R210	D180-F182 PolarHBondContact O-N 3.26Å; F182-T207 PolarHBondContact N-OG1 2.79Å; F182-N208 WeakPolarHBondContact CE2-O 3.36Å; F182-K209 VanDerWaalsContact CB-C 3.49Å; F182-R210 HydrophobicContact CB-CB 4.42Å
183	S	97.4	Very high	97.8	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	21%	0.211	C	C	.	.			trans	-60.7	148.6	175.8	-54.3	0	0	0	0	112.1	Y150 N151 D180 D181 K189	Y150-S183 WeakPolarHBondContact CA-OG 3.46Å; N151-S183 PolarHBondContact N-OG 3.23Å; N151-S183 VanDerWaalsContact OD1-CA 3.26Å; N151-S183 WeakPolarHBondContact OD1-CA 3.21Å; N151-S183 WeakPolarHBondContact OD1-CB 3.35Å; D180-S183 WeakPolarHBondContact OD1-CB 3.43Å; D180-S183 PolarHBondContact OD1-N 2.8Å; D180-S183 PolarHBondContact OD1-OG 3.42Å; D181-S183 PolarHBondContact O-N 2.99Å; S183-K189 WeakPolarHBondContact O-CE 3.16Å; S183-K189 PolarHBondContact O-NZ 2.73Å
184	D	96.1	Very high	97.8	Very high	99 Å²	99	45.9 Å²	45.9	53%	0.529	24%	0.242	S	C	.	.			trans	-102.2	-9.4	178.6	59.6	37.5	0	0	0	113.5	N151 G186	N151-D184 VanDerWaalsContact ND2-CG 3.28Å; N151-D184 PolarHBondContact ND2-OD1 3.39Å; N151-D184 VanDerWaalsContact ND2-OD1 3.13Å; N151-D184 PolarHBondContact ND2-OD2 2.67Å; N151-D184 PolarHBondContact OD1-N 2.93Å; N151-D184 PolarHBondContact OD1-OD1 3.39Å; N151-D184 VanDerWaalsContact OD1-OD1 3.11Å; D184-G186 PolarHBondContact O-N 2.97Å
185	R	95.4	Very high	97.7	Very high	76 Å²	76	44.3 Å²	44.3	29%	0.287	23%	0.234	S	C	.	.			trans	-72.5	125.6	-178.2	-53.6	-60.4	-169.3	-163.9	-0.4	111.6	N151 Y187 L188	N151-R185 HydrophobicContact CB-CG 4.12Å; R185-Y187 VanDerWaalsContact C-N 3.31Å; R185-Y187 HydrophobicContact CB-CD1 4.16Å; R185-Y187 HydrophobicContact CB-CD2 4.36Å; R185-Y187 HydrophobicContact CB-CE1 3.69Å; R185-Y187 HydrophobicContact CB-CE2 3.9Å; R185-Y187 HydrophobicContact CB-CG 4.47Å; R185-Y187 HydrophobicContact CG-CE1 4.14Å; R185-Y187 HydrophobicContact CG-CE2 4.42Å; R185-Y187 WeakPolarHBondContact CG-OH 3.3Å; R185-Y187 PolarHBondContact O-N 3.27Å; R185-L188 HydrophobicContact CB-CD1 3.97Å; R185-L188 HydrophobicContact CB-CG 4.12Å; R185-L188 HydrophobicContact CG-CD1 4.28Å; R185-L188 WeakPolarHBondContact O-CB 3.1Å; R185-L188 PolarHBondContact O-N 3.44Å
186	G	96.8	Very high	97.7	Very high	59 Å²	59	44.3 Å²	44.3	61%	0.608	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-57	-39	-177.1	0	0	0	0	0	114.3	D184 L188 K189	D184-G186 PolarHBondContact O-N 2.97Å; G186-L188 PolarHBondContact O-N 3.19Å; G186-K189 WeakPolarHBondContact O-CB 3.12Å; G186-K189 PolarHBondContact O-N 3.27Å
187	Y	97.1	Very high	97.6	Very high	51 Å²	51	48.5 Å²	48.5	20%	0.2	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-65.1	-22.1	178.4	57	-105.3	0	0	0	113.3	Y106 E152 W154 R185 K189 L192	Y106-Y187 PolarHBondContact OH-OH 3.04Å; E152-Y187 WeakPolarHBondContact O-CE2 3.47Å; E152-Y187 PolarHBondContact O-OH 3.03Å; W154-Y187 HydrophobicContact CB-CD2 4.29Å; W154-Y187 HydrophobicContact CB-CE2 4.46Å; W154-Y187 HydrophobicContact CE3-CD2 4.11Å; W154-Y187 WeakPolarHBondContact CZ3-O 3.26Å; R185-Y187 VanDerWaalsContact C-N 3.31Å; R185-Y187 HydrophobicContact CB-CD1 4.16Å; R185-Y187 HydrophobicContact CB-CD2 4.36Å; R185-Y187 HydrophobicContact CB-CE1 3.69Å; R185-Y187 HydrophobicContact CB-CE2 3.9Å; R185-Y187 HydrophobicContact CB-CG 4.47Å; R185-Y187 HydrophobicContact CG-CE1 4.14Å; R185-Y187 HydrophobicContact CG-CE2 4.42Å; R185-Y187 WeakPolarHBondContact CG-OH 3.3Å; R185-Y187 PolarHBondContact O-N 3.27Å; Y187-K189 VanDerWaalsContact C-N 3.25Å; Y187-K189 PolarHBondContact O-N 3.33Å; Y187-L192 PolarHBondContact O-N 3.39Å
188	L	98	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-81.1	-3.4	176.1	-62.9	175.7	0	0	0	113	F149 L157 R185 G186 L192 R206	F149-L188 HydrophobicContact CD2-CD1 4.17Å; F149-L188 HydrophobicContact CD2-CD2 4.43Å; F149-L188 HydrophobicContact CE2-CB 4.3Å; F149-L188 HydrophobicContact CE2-CD1 4.05Å; F149-L188 HydrophobicContact CE2-CD2 4.03Å; F149-L188 HydrophobicContact CE2-CG 4.34Å; L157-L188 HydrophobicContact CD2-CD2 3.68Å; R185-L188 HydrophobicContact CB-CD1 3.97Å; R185-L188 HydrophobicContact CB-CG 4.12Å; R185-L188 HydrophobicContact CG-CD1 4.28Å; R185-L188 WeakPolarHBondContact O-CB 3.1Å; R185-L188 PolarHBondContact O-N 3.44Å; G186-L188 PolarHBondContact O-N 3.19Å; L188-L192 HydrophobicContact CD2-CD2 4.18Å; L188-R206 PolarHBondContact O-NH1 3.49Å; L188-R206 PolarHBondContact O-NH2 2.78Å
189	K	97.2	Very high	97.5	Very high	68 Å²	68	55.6 Å²	55.6	30%	0.296	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-114.5	-179.3	-55.5	-56.1	177.7	-173.4	0	111	D180 S183 G186 Y187 Q191 L192 A193 R206	D180-K189 IonicContact OD2-NZ 2.69Å; D180-K189 PolarHBondContact OD2-NZ 3.32Å; S183-K189 WeakPolarHBondContact O-CE 3.16Å; S183-K189 PolarHBondContact O-NZ 2.73Å; G186-K189 WeakPolarHBondContact O-CB 3.12Å; G186-K189 PolarHBondContact O-N 3.27Å; Y187-K189 VanDerWaalsContact C-N 3.25Å; Y187-K189 PolarHBondContact O-N 3.33Å; K189-Q191 VanDerWaalsContact C-N 3.32Å; K189-Q191 PolarHBondContact O-N 3.13Å; K189-L192 PolarHBondContact O-N 2.93Å; K189-A193 PolarHBondContact O-N 2.91Å; K189-R206 PolarHBondContact O-NH2 3.04Å
190	S	97	Very high	97.4	Very high	95 Å²	95	61.7 Å²	61.7	66%	0.664	33%	0.329	S	S	*	.	H	α-helix	trans	-61.7	-40.2	-174.2	-51.6	0	0	0	0	112.4	L192 A193 E194	S190-L192 PolarHBondContact O-N 3.44Å; S190-A193 PolarHBondContact O-N 2.97Å; S190-E194 WeakPolarHBondContact O-CB 3.47Å; S190-E194 PolarHBondContact O-N 3.35Å
191	Q	98.2	Very high	97.3	Very high	103 Å²	103	66.1 Å²	66.1	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-45.3	-179.5	-175	-174.6	-8.5	0	0	112.4	W154 K189 E194 Y195	W154-Q191 HydrophobicContact CH2-CG 3.71Å; W154-Q191 HydrophobicContact CZ2-CG 4.37Å; W154-Q191 HydrophobicContact CZ3-CB 4.48Å; W154-Q191 HydrophobicContact CZ3-CG 3.99Å; K189-Q191 VanDerWaalsContact C-N 3.32Å; K189-Q191 PolarHBondContact O-N 3.13Å; Q191-E194 PolarHBondContact O-N 2.92Å; Q191-Y195 WeakPolarHBondContact O-CB 3.32Å; Q191-Y195 PolarHBondContact O-N 3.48Å
192	L	98.4	Very high	97.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-45	174.8	-179.6	63.5	0	0	0	111.7	F149 W154 L157 L158 Y187 L188 K189 S190 E194 Y195 I196 L204	F149-L192 HydrophobicContact CE1-CD2 4.41Å; F149-L192 HydrophobicContact CE2-CD2 4.1Å; F149-L192 HydrophobicContact CZ-CD2 3.59Å; W154-L192 HydrophobicContact CZ3-CB 3.96Å; W154-L192 HydrophobicContact CZ3-CD1 4.12Å; L157-L192 HydrophobicContact CD2-CD1 4.12Å; L157-L192 HydrophobicContact CD2-CD2 3.99Å; L158-L192 HydrophobicContact CD2-CD1 4.05Å; Y187-L192 PolarHBondContact O-N 3.39Å; L188-L192 HydrophobicContact CD2-CD2 4.18Å; K189-L192 PolarHBondContact O-N 2.93Å; S190-L192 PolarHBondContact O-N 3.44Å; L192-E194 VanDerWaalsContact C-N 3.33Å; L192-E194 PolarHBondContact O-N 2.76Å; L192-Y195 PolarHBondContact O-N 2.82Å; L192-I196 HydrophobicContact CD1-CG2 3.94Å; L192-I196 HydrophobicContact CG-CG2 4.49Å; L192-I196 WeakPolarHBondContact O-CG1 3.04Å; L192-I196 WeakPolarHBondContact O-CG2 3.3Å; L192-I196 PolarHBondContact O-N 3.32Å; L192-L204 HydrophobicContact CD2-CD1 4.5Å; L192-L204 HydrophobicContact CD2-CD2 4.28Å; L192-L204 HydrophobicContact CG-CD2 4.43Å
193	A	97.8	Very high	97.4	Very high	40 Å²	40	66.4 Å²	66.4	33%	0.331	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-41.1	-179	0	0	0	0	0	112	K189 S190 I196 S197 L204	K189-A193 PolarHBondContact O-N 2.91Å; S190-A193 PolarHBondContact O-N 2.97Å; A193-I196 WeakPolarHBondContact O-CG1 3.43Å; A193-S197 WeakPolarHBondContact O-CB 3.29Å; A193-S197 PolarHBondContact O-N 3.36Å; A193-L204 HydrophobicContact CB-CD2 4.41Å
194	E	98.3	Very high	97.5	Very high	139 Å²	139	68.2 Å²	68.2	65%	0.65	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-47	175	-175.4	176.6	-178.2	0	0	111.2	S190 Q191 L192 I196 S197	S190-E194 WeakPolarHBondContact O-CB 3.47Å; S190-E194 PolarHBondContact O-N 3.35Å; Q191-E194 PolarHBondContact O-N 2.92Å; L192-E194 VanDerWaalsContact C-N 3.33Å; L192-E194 PolarHBondContact O-N 2.76Å; E194-I196 PolarHBondContact O-N 2.8Å; E194-S197 WeakPolarHBondContact O-CB 3.38Å; E194-S197 PolarHBondContact O-N 2.81Å; E194-S197 PolarHBondContact O-OG 2.81Å
195	Y	98.3	Very high	97.6	Very high	74 Å²	74	64.8 Å²	64.8	29%	0.29	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-51.5	179.8	-173.2	-87.7	0	0	0	112.3	W154 L158 H162 Q191 L192 S197 N198 L199	W154-Y195 HydrophobicContact CH2-CD2 4.43Å; W154-Y195 HydrophobicContact CH2-CG 4.15Å; W154-Y195 AromaticContact CZ2-CD2 3.96Å; W154-Y195 HydrophobicContact CZ2-CD2 3.96Å; W154-Y195 HydrophobicContact CZ2-CG 4.07Å; L158-Y195 HydrophobicContact CD1-CD1 3.9Å; L158-Y195 HydrophobicContact CD1-CD2 4.31Å; L158-Y195 HydrophobicContact CD1-CE1 3.57Å; L158-Y195 HydrophobicContact CD1-CE2 4.01Å; L158-Y195 HydrophobicContact CD1-CG 4.26Å; L158-Y195 HydrophobicContact CD2-CD1 3.6Å; L158-Y195 HydrophobicContact CD2-CE1 3.64Å; L158-Y195 HydrophobicContact CD2-CG 4.48Å; L158-Y195 HydrophobicContact CG-CD1 4.43Å; L158-Y195 HydrophobicContact CG-CE1 4.2Å; H162-Y195 AromaticContact NE2-CE1 3.64Å; H162-Y195 AromaticContact NE2-CZ 3.67Å; H162-Y195 PolarHBondContact NE2-OH 3.15Å; Q191-Y195 WeakPolarHBondContact O-CB 3.32Å; Q191-Y195 PolarHBondContact O-N 3.48Å; L192-Y195 PolarHBondContact O-N 2.82Å; Y195-S197 VanDerWaalsContact C-N 3.25Å; Y195-S197 PolarHBondContact O-N 2.76Å; Y195-N198 PolarHBondContact O-N 3.17Å; Y195-L199 HydrophobicContact CD1-CD1 4.42Å; Y195-L199 HydrophobicContact CE1-CD1 4.18Å
196	I	97.6	Very high	97.7	Very high	11 Å²	11	65.4 Å²	65.4	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-73.5	-15.6	-176.8	69.9	-178.3	0	0	0	113.3	L178 L192 A193 E194 N198 L199 V202 L204	L178-I196 HydrophobicContact CD1-CD1 4.27Å; L178-I196 HydrophobicContact CD1-CG2 4.23Å; L192-I196 HydrophobicContact CD1-CG2 3.94Å; L192-I196 HydrophobicContact CG-CG2 4.49Å; L192-I196 WeakPolarHBondContact O-CG1 3.04Å; L192-I196 WeakPolarHBondContact O-CG2 3.3Å; L192-I196 PolarHBondContact O-N 3.32Å; A193-I196 WeakPolarHBondContact O-CG1 3.43Å; E194-I196 PolarHBondContact O-N 2.8Å; I196-N198 PolarHBondContact O-N 2.83Å; I196-N198 VanDerWaalsContact O-N 3.16Å; I196-L199 HydrophobicContact CG2-CD1 4.4Å; I196-L199 WeakPolarHBondContact O-CB 3.11Å; I196-L199 PolarHBondContact O-N 3.25Å; I196-V202 HydrophobicContact CB-CG1 4.08Å; I196-V202 HydrophobicContact CD1-CG1 4.45Å; I196-V202 HydrophobicContact CG2-CG1 4.32Å; I196-L204 HydrophobicContact CD1-CB 3.35Å; I196-L204 HydrophobicContact CD1-CD2 3.73Å; I196-L204 HydrophobicContact CD1-CG 4.13Å
197	S	97.1	Very high	97.7	Very high	87 Å²	87	63.3 Å²	63.3	61%	0.608	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-22.3	177.5	73.6	0	0	0	0	112.7	A193 E194 Y195	A193-S197 WeakPolarHBondContact O-CB 3.29Å; A193-S197 PolarHBondContact O-N 3.36Å; E194-S197 WeakPolarHBondContact O-CB 3.38Å; E194-S197 PolarHBondContact O-N 2.81Å; E194-S197 PolarHBondContact O-OG 2.81Å; Y195-S197 VanDerWaalsContact C-N 3.25Å; Y195-S197 PolarHBondContact O-N 2.76Å
198	N	96.7	Very high	97.7	Very high	126 Å²	126	67.3 Å²	67.3	67%	0.674	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.3	175.3	-59.7	-53.6	0	0	0	113.4	Y195 I196	Y195-N198 PolarHBondContact O-N 3.17Å; I196-N198 PolarHBondContact O-N 2.83Å; I196-N198 VanDerWaalsContact O-N 3.16Å
199	L	97.8	Very high	97.5	Very high	24 Å²	24	72.5 Å²	72.5	13%	0.126	36%	0.362	C	S	.	.	S	Bend	trans	-101.4	121.5	-176.9	-57	-179.4	0	0	0	110.8	Y70 I161 L165 Y195 I196 V202	Y70-L199 WeakPolarHBondContact OH-CA 3.42Å; I161-L199 HydrophobicContact CG2-CD1 3.92Å; L165-L199 HydrophobicContact CD1-CB 4.31Å; L165-L199 HydrophobicContact CD1-CD1 4.1Å; L165-L199 HydrophobicContact CD1-CD2 4.36Å; L165-L199 HydrophobicContact CD1-CG 4.5Å; Y195-L199 HydrophobicContact CD1-CD1 4.42Å; Y195-L199 HydrophobicContact CE1-CD1 4.18Å; I196-L199 HydrophobicContact CG2-CD1 4.4Å; I196-L199 WeakPolarHBondContact O-CB 3.11Å; I196-L199 PolarHBondContact O-N 3.25Å; L199-V202 HydrophobicContact CB-CB 4.11Å; L199-V202 HydrophobicContact CB-CG2 3.61Å; L199-V202 HydrophobicContact CD1-CG2 4.28Å
200	Q	96.4	Very high	97.3	Very high	127 Å²	127	72.6 Å²	72.6	59%	0.593	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	142	175.7	-66.8	-173.7	1	0	0	110.2	Y70 V202	Y70-Q200 HydrophobicContact CE2-CB 4.37Å; Y70-Q200 PolarHBondContact OH-N 3.23Å; Q200-V202 PolarHBondContact O-N 3.16Å
201	R	97.4	Very high	97.1	Very high	95 Å²	95	69.2 Å²	69.2	36%	0.358	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	9.5	175.4	-45.9	-177.3	-177.9	-174.7	-0.5	114.8	A170 L173 E175 I176	A170-R201 PolarHBondContact O-NH1 3.38Å; A170-R201 PolarHBondContact O-NH2 2.93Å; A170-R201 VanDerWaalsContact O-NH2 3.12Å; L173-R201 PolarHBondContact O-NH1 3.35Å; E175-R201 CarbonylContact C-O 3.55Å; E175-R201 WeakPolarHBondContact CA-O 3.46Å; I176-R201 PolarHBondContact N-O 2.84Å
202	V	98.6	Very high	96.7	Very high	19 Å²	19	64.3 Å²	64.3	12%	0.115	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.4	173.9	-173.7	0	0	0	0	109.5	I161 L165 I176 L178 I196 L199 Q200	I161-V202 HydrophobicContact CG2-CG2 4.21Å; L165-V202 HydrophobicContact CD1-CG2 4.04Å; L165-V202 HydrophobicContact CD2-CG2 4.3Å; I176-V202 HydrophobicContact CB-CG2 4.41Å; I176-V202 HydrophobicContact CD1-CG2 4.37Å; I176-V202 WeakPolarHBondContact O-CA 3.23Å; L178-V202 HydrophobicContact CD1-CG1 3.7Å; L178-V202 HydrophobicContact CG-CG1 4.06Å; I196-V202 HydrophobicContact CB-CG1 4.08Å; I196-V202 HydrophobicContact CD1-CG1 4.45Å; I196-V202 HydrophobicContact CG2-CG1 4.32Å; L199-V202 HydrophobicContact CB-CB 4.11Å; L199-V202 HydrophobicContact CB-CG2 3.61Å; L199-V202 HydrophobicContact CD1-CG2 4.28Å; Q200-V202 PolarHBondContact O-N 3.16Å
203	R	98	Very high	96.2	Very high	97 Å²	97	65.4 Å²	65.4	37%	0.366	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.5	177.5	-61.4	175	69.6	-164.9	-1.7	108.8	E175 I176 L178 Y223	E175-R203 WeakPolarHBondContact OE2-CD 3.39Å; E175-R203 IonicContact OE2-CZ 3.77Å; E175-R203 IonicContact OE2-NE 2.9Å; E175-R203 IonicContact OE2-NH1 3.35Å; E175-R203 PolarHBondContact OE2-NH1 3.03Å; I176-R203 PolarHBondContact O-N 3.17Å; L178-R203 PolarHBondContact N-O 3.46Å; R203-Y223 PolarHBondContact NH1-O 2.99Å
204	L	98.5	Very high	95.8	Very high	43 Å²	43	63.6 Å²	63.6	23%	0.225	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	175.1	176.1	64.2	0	0	0	110.4	F149 L178 D180 L192 A193 I196 R206	F149-L204 HydrophobicContact CE1-CD1 3.89Å; F149-L204 HydrophobicContact CZ-CD1 3.94Å; L178-L204 HydrophobicContact CB-CD1 3.78Å; L178-L204 WeakPolarHBondContact O-CA 3.5Å; D180-L204 HydrophobicContact CB-CD1 4.35Å; L192-L204 HydrophobicContact CD2-CD1 4.5Å; L192-L204 HydrophobicContact CD2-CD2 4.28Å; L192-L204 HydrophobicContact CG-CD2 4.43Å; A193-L204 HydrophobicContact CB-CD2 4.41Å; I196-L204 HydrophobicContact CD1-CB 3.35Å; I196-L204 HydrophobicContact CD1-CD2 3.73Å; I196-L204 HydrophobicContact CD1-CG 4.13Å; L204-R206 VanDerWaalsContact CD2-NH2 3.29Å; L204-R206 HydrophobicContact CG-CG 4.4Å
205	I	98.3	Very high	95.6	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.138	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	174.4	-60.6	166.9	0	0	0	107	I177 L178 I179 D180 I219 Y223	I177-I205 HydrophobicContact CG2-CD1 3.68Å; I177-I205 HydrophobicContact CG2-CG1 4.46Å; L178-I205 PolarHBondContact O-N 3.25Å; I179-I205 WeakPolarHBondContact CA-O 3.41Å; I179-I205 HydrophobicContact CD1-CB 3.72Å; I179-I205 HydrophobicContact CD1-CD1 3.88Å; I179-I205 HydrophobicContact CD1-CG1 4.28Å; I179-I205 HydrophobicContact CD1-CG2 4.28Å; D180-I205 PolarHBondContact N-O 2.78Å; I205-I219 HydrophobicContact CG2-CG2 3.99Å; I205-Y223 HydrophobicContact CD1-CD1 4.17Å; I205-Y223 HydrophobicContact CD1-CD2 3.45Å; I205-Y223 VanDerWaalsContact CD1-CD2 3.45Å; I205-Y223 HydrophobicContact CD1-CE2 4.08Å; I205-Y223 HydrophobicContact CD1-CG 3.5Å; I205-Y223 HydrophobicContact CG2-CE2 4.45Å
206	R	98.3	Very high	95.4	Very high	88 Å²	88	55.7 Å²	55.7	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.4	179.2	-53.7	-171	179.1	-90.6	5	109.6	D180 L188 K189 L204	D180-R206 HydrophobicContact CB-CB 4.27Å; D180-R206 HydrophobicContact CB-CG 3.96Å; D180-R206 IonicContact OD2-CZ 2.97Å; D180-R206 IonicContact OD2-NH1 3.88Å; D180-R206 PolarHBondContact OD2-NH1 3.25Å; L188-R206 PolarHBondContact O-NH1 3.49Å; L188-R206 PolarHBondContact O-NH2 2.78Å; K189-R206 PolarHBondContact O-NH2 3.04Å; L204-R206 VanDerWaalsContact CD2-NH2 3.29Å; L204-R206 HydrophobicContact CG-CG 4.4Å
207	T	97.3	Very high	95.3	Very high	16 Å²	16	55.3 Å²	55.3	10%	0.098	26%	0.263	C	S	.	.			trans	-76	155.4	171	66.2	0	0	0	0	110	I179 D180 D181 F182 K209 E211 I219	I179-T207 HydrophobicContact CG2-CG2 4.19Å; D180-T207 PolarHBondContact O-N 3.13Å; D180-T207 PolarHBondContact O-OG1 2.77Å; D181-T207 WeakPolarHBondContact CA-OG1 3.19Å; F182-T207 PolarHBondContact N-OG1 2.79Å; T207-K209 WeakPolarHBondContact CB-O 3.25Å; T207-K209 PolarHBondContact OG1-O 3.05Å; T207-E211 HydrophobicContact CG2-CB 4.47Å; T207-E211 HydrophobicContact CG2-CG 3.84Å; T207-I219 HydrophobicContact CG2-CD1 3.74Å
208	N	95.6	Very high	95.2	Very high	135 Å²	135	51.8 Å²	51.8	72%	0.722	24%	0.237	S	C	*	.	S	Bend	trans	-92	-7.4	178.3	62.4	-6.2	0	0	0	113.3	F182	F182-N208 WeakPolarHBondContact CE2-O 3.36Å
209	K	94.4	Very high	95.2	Very high	108 Å²	108	47.9 Å²	47.9	47%	0.47	22%	0.216	S	C	.	.	S	Bend	trans	-153.2	168.3	176.6	65.9	-177.3	178.7	178.6	0	108.8	F182 T207 E211	F182-K209 VanDerWaalsContact CB-C 3.49Å; T207-K209 WeakPolarHBondContact CB-O 3.25Å; T207-K209 PolarHBondContact OG1-O 3.05Å; K209-E211 VanDerWaalsContact CE-CD 3.47Å; K209-E211 WeakPolarHBondContact CE-OE1 3.47Å; K209-E211 WeakPolarHBondContact CE-OE2 3.41Å; K209-E211 HydrophobicContact CG-CG 4.44Å; K209-E211 WeakPolarHBondContact CG-OE1 3.41Å; K209-E211 PolarHBondContact O-N 2.83Å
210	R	93.4	Very high	95.2	Very high	71 Å²	71	46.7 Å²	46.7	27%	0.268	21%	0.21	S	C	.	.			trans	-69.4	113.5	172.8	-172.1	64	-169.9	-93.4	10.3	110.4	Y150 D181 F182	Y150-R210 VanDerWaalsContact CD1-CZ 3.41Å; Y150-R210 PolarHBondContact OH-NH1 3.32Å; D181-R210 WeakPolarHBondContact O-CD 3.35Å; D181-R210 IonicContact OD1-NE 3.46Å; D181-R210 WeakPolarHBondContact OD2-CD 3.4Å; D181-R210 IonicContact OD2-CZ 3.1Å; D181-R210 IonicContact OD2-NE 2.82Å; D181-R210 PolarHBondContact OD2-NE 2.88Å; D181-R210 IonicContact OD2-NH2 3.41Å; F182-R210 HydrophobicContact CB-CB 4.42Å
211	E	92.9	Very high	95.2	Very high	24 Å²	24	41 Å²	41	11%	0.112	19%	0.185	C	C	.	.			trans	-96.8	-33.4	-178.7	-65.5	-66.7	176.8	0	0	111.6	D181 T207 K209 R215 I219	D181-E211 WeakPolarHBondContact OD1-CA 3.46Å; D181-E211 WeakPolarHBondContact OD1-CB 3.28Å; D181-E211 PolarHBondContact OD1-N 3.38Å; T207-E211 HydrophobicContact CG2-CB 4.47Å; T207-E211 HydrophobicContact CG2-CG 3.84Å; K209-E211 VanDerWaalsContact CE-CD 3.47Å; K209-E211 WeakPolarHBondContact CE-OE1 3.47Å; K209-E211 WeakPolarHBondContact CE-OE2 3.41Å; K209-E211 HydrophobicContact CG-CG 4.44Å; K209-E211 WeakPolarHBondContact CG-OE1 3.41Å; K209-E211 PolarHBondContact O-N 2.83Å; E211-R215 HydrophobicContact CB-CB 3.72Å; E211-R215 PolarHBondContact O-NE 2.88Å; E211-R215 PolarHBondContact O-NH2 2.91Å; E211-R215 WeakPolarHBondContact OE2-CD 3.49Å; E211-R215 IonicContact OE2-CZ 2.68Å; E211-R215 VanDerWaalsContact OE2-CZ 3.25Å; E211-R215 IonicContact OE2-NE 3.96Å; E211-R215 PolarHBondContact OE2-NE 2.83Å; E211-R215 IonicContact OE2-NH1 3.38Å; E211-R215 PolarHBondContact OE2-NH1 2.7Å; E211-I219 HydrophobicContact CG-CD1 4.16Å
212	G	89.6	Confident	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	88.5	163.7	-171.5	0	0	0	0	0	112.5	D181 V214 R215 A216	D181-G212 PolarHBondContact OD1-N 3.07Å; D181-G212 WeakPolarHBondContact OD2-CA 3.26Å; D181-G212 PolarHBondContact OD2-N 3.44Å; G212-V214 VanDerWaalsContact C-N 3.34Å; G212-V214 PolarHBondContact O-N 2.76Å; G212-R215 PolarHBondContact O-N 3.39Å; G212-A216 WeakPolarHBondContact O-CB 3.47Å; G212-A216 PolarHBondContact O-N 2.92Å
213	L	88.4	Confident	95.2	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.12	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-47.6	-169.1	-179.5	66.3	0	0	0	112.6	A148 A216 R217 V339	A148-L213 HydrophobicContact CB-CD1 4.18Å; L213-A216 PolarHBondContact O-N 2.69Å; L213-R217 HydrophobicContact CD1-CG 4.41Å; L213-R217 WeakPolarHBondContact O-CB 3.45Å; L213-R217 WeakPolarHBondContact O-CG 3.35Å; L213-R217 PolarHBondContact O-N 3.05Å; L213-V339 WeakPolarHBondContact CB-O 3.32Å; L213-V339 PolarHBondContact N-O 3.47Å
214	V	88.8	Confident	95.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-56.4	-177.8	175.1	0	0	0	0	111	G212 A216 R217 L218 Y333 M337 E343	G212-V214 VanDerWaalsContact C-N 3.34Å; G212-V214 PolarHBondContact O-N 2.76Å; V214-A216 PolarHBondContact O-N 3.32Å; V214-R217 PolarHBondContact O-N 2.84Å; V214-L218 HydrophobicContact CG1-CD1 4.19Å; V214-L218 WeakPolarHBondContact O-CG 3.09Å; V214-L218 PolarHBondContact O-N 2.74Å; V214-Y333 VanDerWaalsContact CG1-CB 3.49Å; V214-Y333 HydrophobicContact CG1-CD1 4.49Å; V214-Y333 HydrophobicContact CG1-CD2 4.19Å; V214-Y333 HydrophobicContact CG1-CG 3.86Å; V214-M337 HydrophobicContact CG2-CB 4.27Å; V214-E343 HydrophobicContact CG2-CB 3.68Å; V214-E343 HydrophobicContact CG2-CG 3.8Å
215	R	93.1	Very high	95.2	Very high	48 Å²	48	43.8 Å²	43.8	18%	0.181	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-37.2	-177.8	-75.8	-173.7	-75.9	173.8	-18.1	112.1	E211 G212 L218 I219 M335	E211-R215 HydrophobicContact CB-CB 3.72Å; E211-R215 PolarHBondContact O-NE 2.88Å; E211-R215 PolarHBondContact O-NH2 2.91Å; E211-R215 WeakPolarHBondContact OE2-CD 3.49Å; E211-R215 IonicContact OE2-CZ 2.68Å; E211-R215 VanDerWaalsContact OE2-CZ 3.25Å; E211-R215 IonicContact OE2-NE 3.96Å; E211-R215 PolarHBondContact OE2-NE 2.83Å; E211-R215 IonicContact OE2-NH1 3.38Å; E211-R215 PolarHBondContact OE2-NH1 2.7Å; G212-R215 PolarHBondContact O-N 3.39Å; R215-L218 PolarHBondContact O-N 2.89Å; R215-I219 WeakPolarHBondContact O-CG1 3.36Å; R215-I219 PolarHBondContact O-N 2.92Å; R215-M335 HydrophobicContact CG-CE 3.78Å; R215-M335 HydrophobicContact CG-SD 4.28Å
216	A	95.4	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-45.2	173.7	0	0	0	0	0	111.9	A148 I179 D181 G212 L213 V214 L218 I219 G220	A148-A216 HydrophobicContact CB-CB 3.86Å; I179-A216 HydrophobicContact CG2-CB 3.87Å; D181-A216 HydrophobicContact CB-CB 4.03Å; G212-A216 WeakPolarHBondContact O-CB 3.47Å; G212-A216 PolarHBondContact O-N 2.92Å; L213-A216 PolarHBondContact O-N 2.69Å; V214-A216 PolarHBondContact O-N 3.32Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.09Å; A216-I219 WeakPolarHBondContact O-CB 3.07Å; A216-I219 PolarHBondContact O-N 3.01Å; A216-G220 PolarHBondContact O-N 2.74Å; A216-G220 VanDerWaalsContact O-N 3.1Å
217	R	95.3	Very high	95.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-40.4	174.6	-76.8	-178.8	179.4	172.1	3.7	112.5	A148 L213 V214 G220 A221 F231 D233 G317 G318	A148-R217 HydrophobicContact CB-CG 4.22Å; L213-R217 HydrophobicContact CD1-CG 4.41Å; L213-R217 WeakPolarHBondContact O-CB 3.45Å; L213-R217 WeakPolarHBondContact O-CG 3.35Å; L213-R217 PolarHBondContact O-N 3.05Å; V214-R217 PolarHBondContact O-N 2.84Å; R217-G220 PolarHBondContact O-N 3.32Å; R217-A221 PolarHBondContact O-N 3.35Å; R217-F231 HydrophobicContact CB-CD1 4Å; R217-F231 HydrophobicContact CB-CE1 3.74Å; R217-F231 HydrophobicContact CG-CD1 3.83Å; R217-F231 HydrophobicContact CG-CE1 4.12Å; R217-D233 IonicContact CZ-OD1 2.78Å; R217-D233 IonicContact NH2-OD1 3.43Å; R217-D233 PolarHBondContact NH2-OD1 3.03Å; R217-G317 PolarHBondContact NH1-O 3.35Å; R217-G318 PolarHBondContact NH2-O 2.95Å
218	L	94.7	Very high	95.3	Very high	13 Å²	13	42 Å²	42	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-67.8	-36.2	178	-67.3	173	0	0	0	113.1	V214 R215 A216 G220 A221 T222 F327 T332 Y333 M335	V214-L218 HydrophobicContact CG1-CD1 4.19Å; V214-L218 WeakPolarHBondContact O-CG 3.09Å; V214-L218 PolarHBondContact O-N 2.74Å; R215-L218 PolarHBondContact O-N 2.89Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.09Å; L218-G220 VanDerWaalsContact C-N 3.32Å; L218-A221 PolarHBondContact O-N 2.92Å; L218-T222 PolarHBondContact O-N 3.3Å; L218-T222 PolarHBondContact O-OG1 2.97Å; L218-F327 HydrophobicContact CD2-CE1 3.89Å; L218-F327 HydrophobicContact CD2-CZ 4.06Å; L218-T332 HydrophobicContact CD2-CG2 4.34Å; L218-Y333 HydrophobicContact CD2-CD2 3.99Å; L218-Y333 HydrophobicContact CG-CD2 4.23Å; L218-M335 HydrophobicContact CD1-CG 4.32Å; L218-M335 HydrophobicContact CD1-SD 3.07Å; L218-M335 WeakPolarHBondContact CD1-SD 3.37Å; L218-M335 HydrophobicContact CG-SD 4.44Å
219	I	96.9	Very high	95.4	Very high	44 Å²	44	35.7 Å²	35.7	23%	0.226	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-50.4	169.9	-69.1	166.9	0	0	0	108.6	I179 I205 T207 E211 R215 A216 A221 T222 Y223	I179-I219 HydrophobicContact CD1-CG2 4.42Å; I205-I219 HydrophobicContact CG2-CG2 3.99Å; T207-I219 HydrophobicContact CG2-CD1 3.74Å; E211-I219 HydrophobicContact CG-CD1 4.16Å; R215-I219 WeakPolarHBondContact O-CG1 3.36Å; R215-I219 PolarHBondContact O-N 2.92Å; A216-I219 WeakPolarHBondContact O-CB 3.07Å; A216-I219 PolarHBondContact O-N 3.01Å; I219-A221 VanDerWaalsContact C-N 3.35Å; I219-A221 PolarHBondContact O-N 2.87Å; I219-T222 WeakPolarHBondContact O-CB 3.42Å; I219-T222 PolarHBondContact O-N 3.48Å; I219-T222 VanDerWaalsContact O-N 3.13Å; I219-Y223 HydrophobicContact CG2-CD2 4.1Å; I219-Y223 HydrophobicContact CG2-CE2 4.01Å; I219-Y223 VanDerWaalsContact O-CD2 3.27Å; I219-Y223 WeakPolarHBondContact O-CD2 3.49Å; I219-Y223 PolarHBondContact O-N 3.33Å
220	G	97.4	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.4	-45.1	175.4	0	0	0	0	0	113.7	A216 R217 L218 T222 Y223 A224	A216-G220 PolarHBondContact O-N 2.74Å; A216-G220 VanDerWaalsContact O-N 3.1Å; R217-G220 PolarHBondContact O-N 3.32Å; L218-G220 VanDerWaalsContact C-N 3.32Å; G220-T222 VanDerWaalsContact C-N 3.27Å; G220-T222 PolarHBondContact O-N 3.39Å; G220-Y223 PolarHBondContact O-N 3.14Å; G220-A224 PolarHBondContact O-N 3.33Å
221	A	97.4	Very high	95.9	Very high	8 Å²	8	27.2 Å²	27.2	7%	0.066	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-35.2	177.6	0	0	0	0	0	112.8	I146 R217 L218 I219 A224 L229 F231 F327	I146-A221 HydrophobicContact CD1-CB 4.2Å; R217-A221 PolarHBondContact O-N 3.35Å; L218-A221 PolarHBondContact O-N 2.92Å; I219-A221 VanDerWaalsContact C-N 3.35Å; I219-A221 PolarHBondContact O-N 2.87Å; A221-A224 PolarHBondContact O-N 3.36Å; A221-L229 HydrophobicContact CB-CD1 3.75Å; A221-F231 HydrophobicContact CB-CZ 4.28Å; A221-F327 HydrophobicContact CB-CE1 4.28Å
222	T	97.2	Very high	96.2	Very high	108 Å²	108	26.1 Å²	26.1	66%	0.663	14%	0.136	S	C	*	.	H	α-helix	trans	-65.6	-39.2	177.6	-56.3	0	0	0	0	111.5	L218 I219 G220	L218-T222 PolarHBondContact O-N 3.3Å; L218-T222 PolarHBondContact O-OG1 2.97Å; I219-T222 WeakPolarHBondContact O-CB 3.42Å; I219-T222 PolarHBondContact O-N 3.48Å; I219-T222 VanDerWaalsContact O-N 3.13Å; G220-T222 VanDerWaalsContact C-N 3.27Å; G220-T222 PolarHBondContact O-N 3.39Å
223	Y	97.6	Very high	96.6	Very high	120 Å²	120	27.2 Å²	27.2	47%	0.471	14%	0.142	S	C	.	.	H	α-helix	trans	-85.2	-12.9	-180	-75.8	-82.6	0	0	0	114.5	R203 I205 I219 G220	R203-Y223 PolarHBondContact NH1-O 2.99Å; I205-Y223 HydrophobicContact CD1-CD1 4.17Å; I205-Y223 HydrophobicContact CD1-CD2 3.45Å; I205-Y223 VanDerWaalsContact CD1-CD2 3.45Å; I205-Y223 HydrophobicContact CD1-CE2 4.08Å; I205-Y223 HydrophobicContact CD1-CG 3.5Å; I205-Y223 HydrophobicContact CG2-CE2 4.45Å; I219-Y223 HydrophobicContact CG2-CD2 4.1Å; I219-Y223 HydrophobicContact CG2-CE2 4.01Å; I219-Y223 VanDerWaalsContact O-CD2 3.27Å; I219-Y223 WeakPolarHBondContact O-CD2 3.49Å; I219-Y223 PolarHBondContact O-N 3.33Å; G220-Y223 PolarHBondContact O-N 3.14Å
224	A	98.4	Very high	97	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.139	C	C	.	.			trans	-67.1	138	-179.1	0	0	0	0	0	112.5	I146 I177 G220 A221 L229 K324	I146-A224 HydrophobicContact CD1-CB 4.34Å; I177-A224 HydrophobicContact CD1-CB 3.9Å; G220-A224 PolarHBondContact O-N 3.33Å; A221-A224 PolarHBondContact O-N 3.36Å; A224-L229 HydrophobicContact CB-CD2 3.39Å; A224-K324 PolarHBondContact O-NZ 3.42Å
225	T	98.4	Very high	97.5	Very high	83 Å²	83	27.8 Å²	27.8	51%	0.509	15%	0.145	S	C	.	.			trans	-119.6	-1.1	179.9	64.8	0	0	0	0	114.1	S144 E175	S144-T225 PolarHBondContact OG-N 3.06Å; E175-T225 WeakPolarHBondContact OE1-CB 3.45Å; E175-T225 PolarHBondContact OE1-N 3.23Å; E175-T225 PolarHBondContact OE1-OG1 2.84Å
226	G	98.4	Very high	97.8	Very high	3 Å²	3	25.6 Å²	25.6	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	-73	157.7	170.7	0	0	0	0	0	112.3	S144 V228	S144-G226 PolarHBondContact OG-N 3.36Å; G226-V228 VanDerWaalsContact C-N 3.28Å; G226-V228 PolarHBondContact O-N 2.6Å
227	D	98.6	Very high	97.9	Very high	89 Å²	89	25.9 Å²	25.9	48%	0.476	14%	0.138	S	C	.	.	S	Bend	trans	-67.9	-33.1	178.4	-50.4	-61.8	0	0	0	111.5	P141 T142 K324	P141-D227 HydrophobicContact CB-CB 3.87Å; T142-D227 PolarHBondContact N-OD2 3.38Å; T142-D227 PolarHBondContact O-N 2.85Å; T142-D227 PolarHBondContact OG1-N 3.14Å; T142-D227 PolarHBondContact OG1-OD2 2.85Å; D227-K324 PolarHBondContact O-N 2.92Å
228	V	98.9	Very high	98.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.5	177.8	176.1	0	0	0	0	110.2	P141 T142 T143 S144 G226 L247 I250 A321 V322	P141-V228 HydrophobicContact CB-CG2 3.94Å; P141-V228 HydrophobicContact CG-CG2 3.81Å; T142-V228 PolarHBondContact O-N 3.06Å; T143-V228 CarbonylContact C-O 3.56Å; T143-V228 VanDerWaalsContact CA-O 3.27Å; T143-V228 WeakPolarHBondContact CA-O 3.41Å; T143-V228 PolarHBondContact OG1-O 2.8Å; S144-V228 PolarHBondContact N-O 3.43Å; G226-V228 VanDerWaalsContact C-N 3.28Å; G226-V228 PolarHBondContact O-N 2.6Å; V228-L247 HydrophobicContact CB-CD2 3.79Å; V228-L247 HydrophobicContact CG1-CD2 3.7Å; V228-L247 HydrophobicContact CG2-CD2 3.88Å; V228-I250 HydrophobicContact CG1-CD1 3.73Å; V228-I250 HydrophobicContact CG2-CB 4.46Å; V228-I250 HydrophobicContact CG2-CD1 4.26Å; V228-I250 HydrophobicContact CG2-CG2 3.88Å; V228-A321 HydrophobicContact CG1-CB 3.97Å; V228-V322 WeakPolarHBondContact CA-O 3.07Å; V228-V322 WeakPolarHBondContact CG1-O 3.4Å
229	L	98.9	Very high	98.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.1	167.4	-53.5	-179.5	0	0	0	107.9	I146 A221 A224 F231 A321 V322 K324 F327	I146-L229 HydrophobicContact CD1-CB 4.35Å; I146-L229 HydrophobicContact CD1-CD2 4.07Å; A221-L229 HydrophobicContact CB-CD1 3.75Å; A224-L229 HydrophobicContact CB-CD2 3.39Å; L229-F231 HydrophobicContact CB-CE2 3.8Å; L229-F231 HydrophobicContact CB-CZ 4.15Å; L229-F231 HydrophobicContact CD1-CE2 4.29Å; L229-F231 HydrophobicContact CD1-CZ 4.1Å; L229-A321 CarbonylContact O-C 3.51Å; L229-A321 VanDerWaalsContact O-CA 3.28Å; L229-A321 WeakPolarHBondContact O-CA 3.38Å; L229-V322 HydrophobicContact CB-CG1 4.17Å; L229-V322 PolarHBondContact N-O 3.06Å; L229-V322 PolarHBondContact O-N 2.88Å; L229-K324 HydrophobicContact CD1-CB 4.35Å; L229-K324 HydrophobicContact CD1-CG 4.23Å; L229-K324 HydrophobicContact CD2-CB 4.1Å; L229-K324 HydrophobicContact CD2-CD 4.24Å; L229-K324 HydrophobicContact CD2-CG 4.11Å; L229-K324 HydrophobicContact CG-CB 3.91Å; L229-K324 HydrophobicContact CG-CG 4.19Å; L229-F327 HydrophobicContact CD1-CB 4.34Å; L229-F327 HydrophobicContact CD1-CD1 3.66Å; L229-F327 HydrophobicContact CD1-CE1 4.32Å; L229-F327 HydrophobicContact CD1-CG 4.24Å
230	T	98.9	Very high	98.1	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.1	173.2	-60.1	0	0	0	0	109	T143 S144 V145 I146 W242 I243 F320 A321	T143-T230 WeakPolarHBondContact OG1-CB 3.33Å; T143-T230 PolarHBondContact OG1-OG1 3.43Å; S144-T230 PolarHBondContact O-N 3.15Å; V145-T230 CarbonylContact C-O 3.53Å; V145-T230 VanDerWaalsContact CA-O 3.26Å; V145-T230 WeakPolarHBondContact CA-O 3.46Å; I146-T230 PolarHBondContact N-O 2.97Å; T230-W242 HydrophobicContact CG2-CH2 3.66Å; T230-W242 HydrophobicContact CG2-CZ3 3.77Å; T230-I243 HydrophobicContact CG2-CD1 4.2Å; T230-F320 CarbonylContact C-O 3.56Å; T230-F320 WeakPolarHBondContact CA-O 3.46Å; T230-A321 HydrophobicContact CG2-CB 4.41Å
231	F	98.8	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.8	178.3	-62.4	-84.1	0	0	0	109.7	I146 R217 A221 L229 L319 F320 V322 F327	I146-F231 HydrophobicContact CB-CD1 3.83Å; I146-F231 HydrophobicContact CB-CE1 3.99Å; I146-F231 HydrophobicContact CD1-CD1 4.2Å; I146-F231 HydrophobicContact CD1-CE1 3.55Å; I146-F231 HydrophobicContact CD1-CZ 3.89Å; I146-F231 HydrophobicContact CG1-CE1 4.4Å; I146-F231 HydrophobicContact CG2-CD1 3.95Å; I146-F231 HydrophobicContact CG2-CE1 3.97Å; R217-F231 HydrophobicContact CB-CD1 4Å; R217-F231 HydrophobicContact CB-CE1 3.74Å; R217-F231 HydrophobicContact CG-CD1 3.83Å; R217-F231 HydrophobicContact CG-CE1 4.12Å; A221-F231 HydrophobicContact CB-CZ 4.28Å; L229-F231 HydrophobicContact CB-CE2 3.8Å; L229-F231 HydrophobicContact CB-CZ 4.15Å; L229-F231 HydrophobicContact CD1-CE2 4.29Å; L229-F231 HydrophobicContact CD1-CZ 4.1Å; F231-L319 WeakPolarHBondContact O-CA 3.39Å; F231-F320 HydrophobicContact CB-CD1 4.24Å; F231-F320 HydrophobicContact CB-CE1 4.01Å; F231-F320 HydrophobicContact CB-CZ 4.43Å; F231-F320 HydrophobicContact CD2-CD1 4.28Å; F231-F320 HydrophobicContact CD2-CD2 4.03Å; F231-F320 AromaticContact CD2-CE1 3.69Å; F231-F320 HydrophobicContact CD2-CE1 3.69Å; F231-F320 AromaticContact CD2-CE2 3.42Å; F231-F320 HydrophobicContact CD2-CE2 3.42Å; F231-F320 VanDerWaalsContact CD2-CE2 3.42Å; F231-F320 HydrophobicContact CD2-CG 4.44Å; F231-F320 AromaticContact CD2-CZ 3.23Å; F231-F320 HydrophobicContact CD2-CZ 3.23Å; F231-F320 HydrophobicContact CE2-CE1 4.46Å; F231-F320 AromaticContact CE2-CE2 3.7Å; F231-F320 HydrophobicContact CE2-CE2 3.7Å; F231-F320 AromaticContact CE2-CZ 3.61Å; F231-F320 HydrophobicContact CE2-CZ 3.61Å; F231-F320 HydrophobicContact CG-CE1 4.04Å; F231-F320 AromaticContact CG-CZ 3.99Å; F231-F320 HydrophobicContact CG-CZ 3.99Å; F231-F320 PolarHBondContact N-O 2.91Å; F231-F320 PolarHBondContact O-N 3.25Å; F231-V322 HydrophobicContact CE2-CG1 4.3Å; F231-F327 HydrophobicContact CZ-CE1 4.27Å; F231-F327 HydrophobicContact CZ-CZ 4.4Å
232	L	98.7	Very high	98.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.2	171.2	-67.2	179.3	0	0	0	109.3	V145 I146 I147 V164 W242 L319 V366	V145-L232 HydrophobicContact CG1-CD1 3.9Å; V145-L232 HydrophobicContact CG1-CG 4.28Å; I146-L232 PolarHBondContact O-N 3.45Å; I146-L232 VanDerWaalsContact O-N 3.07Å; I147-L232 HydrophobicContact CG1-CB 4.14Å; V164-L232 HydrophobicContact CG2-CD1 3.57Å; L232-W242 HydrophobicContact CD1-CH2 3.77Å; L232-W242 HydrophobicContact CD1-CZ2 4.29Å; L232-W242 HydrophobicContact CD1-CZ3 4.4Å; L232-W242 HydrophobicContact CD2-CH2 4.31Å; L232-W242 HydrophobicContact CD2-CZ3 4.15Å; L232-W242 HydrophobicContact CG-CH2 4.29Å; L232-L319 HydrophobicContact CD2-CB 4.29Å; L232-L319 HydrophobicContact CD2-CD2 3.7Å; L232-L319 HydrophobicContact CD2-CG 3.93Å; L232-V366 HydrophobicContact CD2-CG1 4.22Å
233	D	98	Very high	98.2	Very high	24 Å²	24	21.2 Å²	21.2	13%	0.128	12%	0.116	C	C	.	.			trans	-79.7	165.6	167.7	-69.2	-29.1	0	0	0	110.5	T160 R217 H235 G318 H368	T160-D233 WeakPolarHBondContact CG2-O 3.5Å; R217-D233 IonicContact CZ-OD1 2.78Å; R217-D233 IonicContact NH2-OD1 3.43Å; R217-D233 PolarHBondContact NH2-OD1 3.03Å; D233-H235 VanDerWaalsContact C-N 3.26Å; D233-H235 PolarHBondContact O-N 3.09Å; D233-G318 WeakPolarHBondContact OD2-CA 3.27Å; D233-H368 IonicContact OD2-CD2 3.44Å; D233-H368 IonicContact OD2-NE2 3.92Å
234	C	97.9	Very high	98.2	Very high	7 Å²	7	16 Å²	16	5%	0.047	10%	0.096	C	C	.	.	S	Bend	trans	-87.1	13.9	-170.7	46.5	0	0	0	0	114.9	I147 F149 E152 T156 L157 T160	I147-C234 HydrophobicContact CG2-CB 3.67Å; F149-C234 HydrophobicContact CB-CB 3.67Å; F149-C234 VanDerWaalsContact CB-SG 3.52Å; E152-C234 HydrophobicContact CB-CB 4.41Å; E152-C234 HydrophobicContact CG-CB 3.92Å; E152-C234 PolarHBondContact OE2-SG 2.88Å; T156-C234 CarbonylContact C-O 3.48Å; L157-C234 WeakPolarHBondContact CA-O 3.49Å; L157-C234 HydrophobicContact CD1-CB 3.81Å; L157-C234 PolarHBondContact N-O 3.09Å; T160-C234 PolarHBondContact OG1-O 3.43Å; T160-C234 VanDerWaalsContact OG1-O 3.09Å
235	H	98.4	Very high	98.2	Very high	29 Å²	29	16 Å²	16	13%	0.134	10%	0.096	C	C	.	.	S	Bend	trans	-140.5	56.6	177.6	38.3	-99.4	0	0	0	109.4	E152 T156 T160 D233 H368 V369	E152-H235 IonicContact OE1-ND1 3.89Å; E152-H235 IonicContact OE2-CE1 2.76Å; E152-H235 PolarHBondContact OE2-CE1 3.47Å; E152-H235 IonicContact OE2-CG 3.6Å; E152-H235 IonicContact OE2-ND1 2.7Å; E152-H235 PolarHBondContact OE2-ND1 2.87Å; T156-H235 HydrophobicContact CG2-CB 4.46Å; T160-H235 WeakPolarHBondContact OG1-CA 3.49Å; T160-H235 PolarHBondContact OG1-N 3.46Å; D233-H235 VanDerWaalsContact C-N 3.26Å; D233-H235 PolarHBondContact O-N 3.09Å; H235-H368 AromaticContact CD2-CD2 3.81Å; H235-H368 AromaticContact CD2-NE2 3.47Å; H235-H368 PolarHBondContact CD2-NE2 2.88Å; H235-H368 AromaticContact NE2-CE1 3.93Å; H235-H368 AromaticContact NE2-NE2 3.28Å; H235-H368 PolarHBondContact NE2-NE2 2.97Å; H235-V369 HydrophobicContact CB-CB 4.16Å; H235-V369 HydrophobicContact CB-CG2 4.21Å; H235-V369 PolarHBondContact O-N 2.79Å
236	C	98.8	Very high	98.2	Very high	1 Å²	1	12 Å²	12	1%	0.007	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153.3	-177.6	-70.5	0	0	0	0	112.1	T160 V366 G367	T160-C236 VanDerWaalsContact CA-O 3.29Å; T160-C236 WeakPolarHBondContact CA-O 3.43Å; T160-C236 HydrophobicContact CG2-CB 4.08Å; T160-C236 PolarHBondContact OG1-N 3.38Å; T160-C236 PolarHBondContact OG1-O 2.98Å; C236-V366 HydrophobicContact CB-CG1 3.89Å; C236-G367 CarbonylContact C-O 3.6Å; C236-G367 WeakPolarHBondContact CA-O 3.41Å; C236-G367 WeakPolarHBondContact CB-O 2.99Å
237	E	98.8	Very high	98.3	Very high	6 Å²	6	11.9 Å²	11.9	3%	0.028	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.8	173.3	-58.8	-176.6	-135.9	0	0	110	R120 R159 I265 F272 G367	R120-E237 IonicContact CZ-OE1 3.62Å; R120-E237 IonicContact CZ-OE2 3.82Å; R120-E237 IonicContact NE-OE1 3.7Å; R120-E237 PolarHBondContact NE-OE1 2.88Å; R120-E237 IonicContact NE-OE2 2.73Å; R120-E237 PolarHBondContact NE-OE2 2.76Å; R120-E237 VanDerWaalsContact NH2-CD 3.31Å; R120-E237 IonicContact NH2-OE1 3.65Å; R120-E237 PolarHBondContact NH2-OE1 2.8Å; R120-E237 IonicContact NH2-OE2 2.78Å; R120-E237 PolarHBondContact NH2-OE2 3.44Å; R159-E237 WeakPolarHBondContact CD-OE1 3.38Å; R159-E237 WeakPolarHBondContact CD-OE2 3.49Å; R159-E237 HydrophobicContact CG-CG 4.12Å; E237-I265 HydrophobicContact CB-CD1 3.83Å; E237-I265 HydrophobicContact CG-CD1 3.77Å; E237-F272 HydrophobicContact CB-CE2 4.44Å; E237-G367 PolarHBondContact N-O 3.43Å; E237-G367 PolarHBondContact O-N 3.45Å
238	C	98.6	Very high	98.3	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.02	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.9	-175.3	-58.7	0	0	0	0	111.1	S163 T167 W242	S163-C238 WeakPolarHBondContact OG-CB 3.06Å; S163-C238 PolarHBondContact OG-N 3.25Å; T167-C238 VanDerWaalsContact OG1-CB 3.29Å; T167-C238 WeakPolarHBondContact OG1-CB 3.49Å; C238-W242 HydrophobicContact CB-CD2 4.12Å; C238-W242 HydrophobicContact CB-CG 3.89Å
239	V	97.9	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-80	143.7	171	180	0	0	0	0	109	I122 G241 W242 F272 M274 H365	I122-V239 HydrophobicContact CG2-CG2 4.15Å; V239-G241 PolarHBondContact O-N 3.06Å; V239-W242 VanDerWaalsContact O-CB 3.26Å; V239-W242 WeakPolarHBondContact O-CB 3.13Å; V239-W242 VanDerWaalsContact O-CD1 3.32Å; V239-W242 PolarHBondContact O-N 2.85Å; V239-W242 VanDerWaalsContact O-N 3.15Å; V239-F272 HydrophobicContact CG2-CE1 4.22Å; V239-F272 HydrophobicContact CG2-CE2 4.45Å; V239-F272 HydrophobicContact CG2-CZ 3.69Å; V239-M274 HydrophobicContact CB-CE 4.4Å; V239-M274 HydrophobicContact CG1-CE 3.9Å; V239-M274 HydrophobicContact CG2-CE 3.53Å; V239-H365 HydrophobicContact CB-CB 3.89Å; V239-H365 WeakPolarHBondContact CB-O 2.89Å; V239-H365 HydrophobicContact CG1-CB 4.46Å; V239-H365 HydrophobicContact CG2-CB 3.57Å; V239-H365 WeakPolarHBondContact CG2-O 3.45Å; V239-H365 PolarHBondContact N-O 3.13Å; V239-H365 VanDerWaalsContact N-O 3.13Å
240	P	94.3	Very high	98.2	Very high	58 Å²	58	12.2 Å²	12.2	38%	0.377	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	132.6	174.8	-28.4	36.2	0	0	0	112.3	R126	R126-P240 PolarHBondContact NH1-O 3.3Å; R126-P240 PolarHBondContact NH2-O 3.49Å
241	G	96.1	Very high	98.2	Very high	16 Å²	16	14.9 Å²	14.9	17%	0.165	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	22.6	-178.9	0	0	0	0	0	114.9	R126 V239 E244 P245	R126-G241 PolarHBondContact NH1-O 3.43Å; V239-G241 PolarHBondContact O-N 3.06Å; G241-E244 VanDerWaalsContact C-OE2 3.25Å; G241-E244 WeakPolarHBondContact CA-OE2 3.44Å; G241-P245 WeakPolarHBondContact O-CD 3.27Å
242	W	98.5	Very high	98.1	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	12%	0.115	C	C	.	.			trans	-72.1	-30.6	179.5	72	-74.2	0	0	0	113.5	T167 T230 L232 C238 V239 L246 S364 H365 V366	T167-W242 PolarHBondContact OG1-NE1 3.21Å; T230-W242 HydrophobicContact CG2-CH2 3.66Å; T230-W242 HydrophobicContact CG2-CZ3 3.77Å; L232-W242 HydrophobicContact CD1-CH2 3.77Å; L232-W242 HydrophobicContact CD1-CZ2 4.29Å; L232-W242 HydrophobicContact CD1-CZ3 4.4Å; L232-W242 HydrophobicContact CD2-CH2 4.31Å; L232-W242 HydrophobicContact CD2-CZ3 4.15Å; L232-W242 HydrophobicContact CG-CH2 4.29Å; C238-W242 HydrophobicContact CB-CD2 4.12Å; C238-W242 HydrophobicContact CB-CG 3.89Å; V239-W242 VanDerWaalsContact O-CB 3.26Å; V239-W242 WeakPolarHBondContact O-CB 3.13Å; V239-W242 VanDerWaalsContact O-CD1 3.32Å; V239-W242 PolarHBondContact O-N 2.85Å; V239-W242 VanDerWaalsContact O-N 3.15Å; W242-L246 HydrophobicContact CE3-CD1 4.05Å; W242-L246 HydrophobicContact CZ3-CD1 4.08Å; W242-S364 WeakPolarHBondContact O-CB 3.48Å; W242-S364 PolarHBondContact O-OG 3.47Å; W242-H365 WeakPolarHBondContact CB-O 3.08Å; W242-V366 HydrophobicContact CB-CG2 4.38Å; W242-V366 HydrophobicContact CD2-CG2 4.04Å; W242-V366 HydrophobicContact CE3-CG2 3.51Å; W242-V366 HydrophobicContact CG-CG2 4.43Å; W242-V366 HydrophobicContact CZ3-CG2 4.1Å
243	I	98.7	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-90.4	-36.4	-165.8	-168.2	56	0	0	0	112.7	T143 T168 T230 P245 L246 L247	T143-I243 HydrophobicContact CG2-CD1 4.26Å; T143-I243 HydrophobicContact CG2-CG1 4.19Å; T168-I243 HydrophobicContact CG2-CB 4.41Å; T168-I243 HydrophobicContact CG2-CG1 4.32Å; T168-I243 HydrophobicContact CG2-CG2 3.91Å; T230-I243 HydrophobicContact CG2-CD1 4.2Å; I243-P245 VanDerWaalsContact C-CD 3.46Å; I243-L246 HydrophobicContact CD1-CD1 4.23Å; I243-L246 WeakPolarHBondContact O-CB 3.36Å; I243-L246 PolarHBondContact O-N 3.38Å; I243-L247 HydrophobicContact CD1-CD1 4.34Å; I243-L247 HydrophobicContact CD1-CD2 4.37Å; I243-L247 HydrophobicContact CD1-CG 4.14Å; I243-L247 HydrophobicContact CG1-CD1 3.68Å; I243-L247 HydrophobicContact CG1-CG 3.94Å; I243-L247 WeakPolarHBondContact O-CG 3.46Å; I243-L247 PolarHBondContact O-N 3.1Å
244	E	98.6	Very high	98.1	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-43.2	-175.9	-59.5	93	141.1	0	0	112.9	F135 Y137 L140 P169 L172 G241 L246 L247 E248	F135-E244 HydrophobicContact CB-CB 4.4Å; F135-E244 HydrophobicContact CD1-CB 3.78Å; F135-E244 HydrophobicContact CD2-CB 3.55Å; F135-E244 HydrophobicContact CD2-CG 3.99Å; F135-E244 HydrophobicContact CE1-CB 3.82Å; F135-E244 HydrophobicContact CE2-CB 3.61Å; F135-E244 HydrophobicContact CE2-CG 4.36Å; F135-E244 HydrophobicContact CG-CB 3.64Å; F135-E244 HydrophobicContact CG-CG 4.23Å; F135-E244 HydrophobicContact CZ-CB 3.73Å; Y137-E244 HydrophobicContact CE1-CG 3.65Å; Y137-E244 PolarHBondContact OH-OE1 2.78Å; L140-E244 HydrophobicContact CD1-CB 4.34Å; L140-E244 HydrophobicContact CD1-CG 4.45Å; P169-E244 HydrophobicContact CG-CG 4.42Å; P169-E244 WeakPolarHBondContact CG-OE1 3.34Å; L172-E244 HydrophobicContact CD1-CG 3.95Å; G241-E244 VanDerWaalsContact C-OE2 3.25Å; G241-E244 WeakPolarHBondContact CA-OE2 3.44Å; E244-L246 VanDerWaalsContact C-N 3.28Å; E244-L246 PolarHBondContact O-N 3.3Å; E244-L247 PolarHBondContact O-N 3.31Å; E244-E248 VanDerWaalsContact O-CB 3.23Å; E244-E248 WeakPolarHBondContact O-CB 3.34Å; E244-E248 PolarHBondContact O-N 2.95Å
245	P	98.6	Very high	98.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-34.5	176.1	-16.3	27.7	0	0	0	113.2	F135 G241 I243 R249 H361 C363	F135-P245 HydrophobicContact CZ-CG 3.93Å; G241-P245 WeakPolarHBondContact O-CD 3.27Å; I243-P245 VanDerWaalsContact C-CD 3.46Å; P245-R249 WeakPolarHBondContact O-CB 3.15Å; P245-R249 PolarHBondContact O-N 3.18Å; P245-H361 PolarHBondContact O-CD2 2.9Å; P245-C363 HydrophobicContact CB-CB 4.17Å; P245-C363 HydrophobicContact CG-CB 3.83Å
246	L	98.8	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.7	-48.3	178.2	-54.6	-178.4	0	0	0	110.5	W242 I243 E244 R249 I250 V258 A321 H361 S364	W242-L246 HydrophobicContact CE3-CD1 4.05Å; W242-L246 HydrophobicContact CZ3-CD1 4.08Å; I243-L246 HydrophobicContact CD1-CD1 4.23Å; I243-L246 WeakPolarHBondContact O-CB 3.36Å; I243-L246 PolarHBondContact O-N 3.38Å; E244-L246 VanDerWaalsContact C-N 3.28Å; E244-L246 PolarHBondContact O-N 3.3Å; L246-R249 PolarHBondContact O-N 2.99Å; L246-I250 WeakPolarHBondContact O-CG1 3.39Å; L246-I250 PolarHBondContact O-N 2.84Å; L246-I250 VanDerWaalsContact O-N 3.09Å; L246-V258 HydrophobicContact CD2-CB 4.01Å; L246-V258 HydrophobicContact CD2-CG1 3.46Å; L246-V258 VanDerWaalsContact CD2-CG1 3.46Å; L246-A321 HydrophobicContact CB-CB 4.03Å; L246-A321 HydrophobicContact CD1-CB 4.19Å; L246-H361 HydrophobicContact CD2-CB 4.01Å; L246-S364 WeakPolarHBondContact CD2-OG 3.35Å; L246-S364 WeakPolarHBondContact CG-OG 3.4Å
247	L	98.8	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-39.7	-178.4	-61.3	179.7	0	0	0	112.3	P141 T143 L172 V228 I243 E244 R249 I250 A251	P141-L247 HydrophobicContact CG-CB 4.12Å; P141-L247 HydrophobicContact CG-CD2 4.38Å; P141-L247 WeakPolarHBondContact O-CD1 3.38Å; T143-L247 HydrophobicContact CG2-CD1 4.25Å; T143-L247 HydrophobicContact CG2-CD2 4.46Å; L172-L247 HydrophobicContact CB-CD1 3.98Å; L172-L247 HydrophobicContact CD1-CD1 3.96Å; L172-L247 HydrophobicContact CG-CD1 4.39Å; V228-L247 HydrophobicContact CB-CD2 3.79Å; V228-L247 HydrophobicContact CG1-CD2 3.7Å; V228-L247 HydrophobicContact CG2-CD2 3.88Å; I243-L247 HydrophobicContact CD1-CD1 4.34Å; I243-L247 HydrophobicContact CD1-CD2 4.37Å; I243-L247 HydrophobicContact CD1-CG 4.14Å; I243-L247 HydrophobicContact CG1-CD1 3.68Å; I243-L247 HydrophobicContact CG1-CG 3.94Å; I243-L247 WeakPolarHBondContact O-CG 3.46Å; I243-L247 PolarHBondContact O-N 3.1Å; E244-L247 PolarHBondContact O-N 3.31Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 2.62Å; L247-I250 PolarHBondContact O-N 2.79Å; L247-A251 WeakPolarHBondContact O-CB 3.34Å; L247-A251 PolarHBondContact O-N 2.87Å
248	E	98.6	Very high	98.1	Very high	39 Å²	39	24.8 Å²	24.8	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-44.1	174.8	-172.1	-162.5	-120.2	0	0	110.7	K133 F135 L140 E244 I250 A251 Q252	K133-E248 WeakPolarHBondContact CE-OE1 3.47Å; K133-E248 WeakPolarHBondContact CE-OE2 3.24Å; K133-E248 IonicContact NZ-OE1 3.78Å; K133-E248 IonicContact NZ-OE2 2.74Å; K133-E248 PolarHBondContact NZ-OE2 3.38Å; F135-E248 HydrophobicContact CD1-CB 4.22Å; F135-E248 HydrophobicContact CD1-CG 4.43Å; F135-E248 HydrophobicContact CE1-CB 4.25Å; L140-E248 VanDerWaalsContact CD2-CA 3.45Å; L140-E248 HydrophobicContact CD2-CB 3.78Å; L140-E248 HydrophobicContact CD2-CG 4.29Å; E244-E248 VanDerWaalsContact O-CB 3.23Å; E244-E248 WeakPolarHBondContact O-CB 3.34Å; E244-E248 PolarHBondContact O-N 2.95Å; E248-I250 PolarHBondContact O-N 3.39Å; E248-A251 WeakPolarHBondContact O-CB 3.35Å; E248-A251 PolarHBondContact O-N 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.48Å; E248-Q252 PolarHBondContact O-N 3.26Å; E248-Q252 VanDerWaalsContact O-N 3.08Å
249	R	98.4	Very high	98.1	Very high	53 Å²	53	25 Å²	25	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-41.1	179.9	-180	54.3	179.6	162	3.4	112.2	P245 L246 L247 A251 Q252 N253 T256 V258 P309 E359	P245-R249 WeakPolarHBondContact O-CB 3.15Å; P245-R249 PolarHBondContact O-N 3.18Å; L246-R249 PolarHBondContact O-N 2.99Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 2.62Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-Q252 PolarHBondContact O-N 2.9Å; R249-N253 PolarHBondContact O-N 3.44Å; R249-T256 HydrophobicContact CG-CG2 4.33Å; R249-V258 HydrophobicContact CB-CG2 3.91Å; R249-V258 HydrophobicContact CG-CG1 4.42Å; R249-V258 HydrophobicContact CG-CG2 3.56Å; R249-P309 HydrophobicContact CG-CG 4.19Å; R249-E359 IonicContact CZ-OE1 3.23Å; R249-E359 IonicContact CZ-OE2 3.65Å; R249-E359 IonicContact NE-OE1 3.68Å; R249-E359 IonicContact NE-OE2 3.32Å; R249-E359 PolarHBondContact NE-OE2 3.09Å; R249-E359 IonicContact NH2-OE1 3.8Å; R249-E359 PolarHBondContact NH2-OE1 3.18Å; R249-E359 IonicContact NH2-OE2 2.62Å; R249-E359 PolarHBondContact NH2-OE2 3.07Å; R249-E359 VanDerWaalsContact NH2-OE2 3.17Å
250	I	98.8	Very high	98.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.036	15%	0.151	C	C	.	.	H	α-helix	trans	-68	-35.5	176	-65.8	165.8	0	0	0	111.3	V228 L246 L247 E248 Q252 N253 A254 V258 A321	V228-I250 HydrophobicContact CG1-CD1 3.73Å; V228-I250 HydrophobicContact CG2-CB 4.46Å; V228-I250 HydrophobicContact CG2-CD1 4.26Å; V228-I250 HydrophobicContact CG2-CG2 3.88Å; L246-I250 WeakPolarHBondContact O-CG1 3.39Å; L246-I250 PolarHBondContact O-N 2.84Å; L246-I250 VanDerWaalsContact O-N 3.09Å; L247-I250 PolarHBondContact O-N 2.79Å; E248-I250 PolarHBondContact O-N 3.39Å; I250-Q252 VanDerWaalsContact C-N 3.27Å; I250-Q252 PolarHBondContact O-N 3.25Å; I250-N253 CarbonylContact O-C 3.6Å; I250-N253 PolarHBondContact O-N 2.61Å; I250-A254 WeakPolarHBondContact O-CA 3.27Å; I250-A254 PolarHBondContact O-N 3.07Å; I250-A254 VanDerWaalsContact O-N 3.12Å; I250-V258 HydrophobicContact CD1-CG2 4.36Å; I250-V258 HydrophobicContact CG1-CG2 3.79Å; I250-A321 HydrophobicContact CD1-CB 3.62Å
251	A	98.2	Very high	98.4	Very high	57 Å²	57	22.5 Å²	22.5	47%	0.471	13%	0.134	S	C	.	.	H	α-helix	trans	-62.2	-36.3	174.7	0	0	0	0	0	112.2	P141 L247 E248 R249	P141-A251 HydrophobicContact CG-CB 4.41Å; L247-A251 WeakPolarHBondContact O-CB 3.34Å; L247-A251 PolarHBondContact O-N 2.87Å; E248-A251 WeakPolarHBondContact O-CB 3.35Å; E248-A251 PolarHBondContact O-N 3.29Å; R249-A251 VanDerWaalsContact C-N 3.34Å
252	Q	97.8	Very high	98.5	Very high	120 Å²	120	22.2 Å²	22.2	56%	0.561	13%	0.129	S	C	*	.	H	α-helix	trans	-72.5	-37.3	175.3	-67.3	167.1	8.8	0	0	112.6	E248 R249 I250	E248-Q252 WeakPolarHBondContact O-CG 3.48Å; E248-Q252 PolarHBondContact O-N 3.26Å; E248-Q252 VanDerWaalsContact O-N 3.08Å; R249-Q252 PolarHBondContact O-N 2.9Å; I250-Q252 VanDerWaalsContact C-N 3.27Å; I250-Q252 PolarHBondContact O-N 3.25Å
253	N	98	Very high	98.4	Very high	60 Å²	60	22.2 Å²	22.2	32%	0.321	13%	0.128	S	C	.	.			trans	-145.4	101.9	177.2	-175.7	7.4	0	0	0	111.3	R249 I250 S255 T256	R249-N253 PolarHBondContact O-N 3.44Å; I250-N253 CarbonylContact O-C 3.6Å; I250-N253 PolarHBondContact O-N 2.61Å; N253-S255 PolarHBondContact O-N 2.89Å; N253-S255 VanDerWaalsContact O-N 3.1Å; N253-S255 PolarHBondContact OD1-N 3.27Å; N253-S255 VanDerWaalsContact OD1-N 3.12Å; N253-T256 PolarHBondContact ND2-OG1 3.34Å; N253-T256 WeakPolarHBondContact O-CB 3.49Å; N253-T256 PolarHBondContact O-N 2.9Å; N253-T256 VanDerWaalsContact O-N 3.12Å
254	A	97.8	Very high	98.4	Very high	51 Å²	51	24.9 Å²	24.9	42%	0.421	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.1	-178.9	0	0	0	0	0	113.8	I250 T256 F326	I250-A254 WeakPolarHBondContact O-CA 3.27Å; I250-A254 PolarHBondContact O-N 3.07Å; I250-A254 VanDerWaalsContact O-N 3.12Å; A254-T256 VanDerWaalsContact C-N 3.27Å; A254-T256 PolarHBondContact O-N 2.92Å; A254-F326 VanDerWaalsContact O-CB 3.25Å; A254-F326 WeakPolarHBondContact O-CB 3.46Å; A254-F326 WeakPolarHBondContact O-CD1 3.37Å; A254-F326 WeakPolarHBondContact O-CG 3.2Å
255	S	98.3	Very high	98.4	Very high	45 Å²	45	24.4 Å²	24.4	32%	0.315	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	16.3	176.8	-56.1	0	0	0	0	113.5	N253 F326 G356 S357	N253-S255 PolarHBondContact O-N 2.89Å; N253-S255 VanDerWaalsContact O-N 3.1Å; N253-S255 PolarHBondContact OD1-N 3.27Å; N253-S255 VanDerWaalsContact OD1-N 3.12Å; S255-F326 VanDerWaalsContact C-CE1 3.44Å; S255-F326 VanDerWaalsContact O-CE1 3.27Å; S255-F326 WeakPolarHBondContact O-CE1 3.38Å; S255-F326 WeakPolarHBondContact O-CZ 3.38Å; S255-G356 CarbonylContact O-C 3.48Å; S255-G356 WeakPolarHBondContact O-CA 3.17Å; S255-S357 PolarHBondContact O-N 3.5Å
256	T	98.3	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.7	176.5	-60.5	0	0	0	0	111.1	R249 N253 A254 V258 S357 E359	R249-T256 HydrophobicContact CG-CG2 4.33Å; N253-T256 PolarHBondContact ND2-OG1 3.34Å; N253-T256 WeakPolarHBondContact O-CB 3.49Å; N253-T256 PolarHBondContact O-N 2.9Å; N253-T256 VanDerWaalsContact O-N 3.12Å; A254-T256 VanDerWaalsContact C-N 3.27Å; A254-T256 PolarHBondContact O-N 2.92Å; T256-V258 HydrophobicContact CG2-CG2 3.62Å; T256-S357 CarbonylContact C-O 3.05Å; T256-S357 WeakPolarHBondContact CA-O 3.24Å; T256-S357 WeakPolarHBondContact CB-OG 3.24Å; T256-S357 VanDerWaalsContact CG2-OG 3.29Å; T256-S357 WeakPolarHBondContact CG2-OG 3.42Å; T256-S357 PolarHBondContact OG1-OG 2.89Å; T256-E359 HydrophobicContact CG2-CB 4.27Å; T256-E359 HydrophobicContact CG2-CG 4.03Å
257	I	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	161.8	-58.6	-161.5	0	0	0	107.9	F320 V322 F326 L347 V351 S357 L358 E359	I257-F320 HydrophobicContact CG2-CB 3.92Å; I257-F320 HydrophobicContact CG2-CD2 3.61Å; I257-F320 HydrophobicContact CG2-CE2 4.45Å; I257-F320 HydrophobicContact CG2-CG 4.06Å; I257-V322 HydrophobicContact CD1-CB 4.39Å; I257-V322 HydrophobicContact CD1-CG2 4.05Å; I257-V322 HydrophobicContact CG1-CB 4.11Å; I257-V322 HydrophobicContact CG1-CG2 3.73Å; I257-F326 HydrophobicContact CG1-CE1 4.49Å; I257-L347 HydrophobicContact CD1-CD1 4.39Å; I257-L347 HydrophobicContact CD1-CD2 4.01Å; I257-L347 HydrophobicContact CD1-CG 4.23Å; I257-V351 HydrophobicContact CD1-CG2 3.44Å; I257-V351 VanDerWaalsContact CD1-CG2 3.44Å; I257-V351 HydrophobicContact CG1-CG1 4.41Å; I257-V351 HydrophobicContact CG1-CG2 4.07Å; I257-S357 PolarHBondContact N-O 3.42Å; I257-L358 HydrophobicContact CB-CD1 3.74Å; I257-L358 HydrophobicContact CG2-CD1 3.62Å; I257-L358 WeakPolarHBondContact O-CA 3.49Å; I257-E359 PolarHBondContact O-N 3.46Å
258	V	98.8	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.3	-176.3	-162.9	0	0	0	0	109.8	L246 R249 I250 T256 F320 A321 E359 H361	L246-V258 HydrophobicContact CD2-CB 4.01Å; L246-V258 HydrophobicContact CD2-CG1 3.46Å; L246-V258 VanDerWaalsContact CD2-CG1 3.46Å; R249-V258 HydrophobicContact CB-CG2 3.91Å; R249-V258 HydrophobicContact CG-CG1 4.42Å; R249-V258 HydrophobicContact CG-CG2 3.56Å; I250-V258 HydrophobicContact CD1-CG2 4.36Å; I250-V258 HydrophobicContact CG1-CG2 3.79Å; T256-V258 HydrophobicContact CG2-CG2 3.62Å; V258-F320 CarbonylContact O-C 3.55Å; V258-F320 WeakPolarHBondContact O-CA 3.27Å; V258-A321 PolarHBondContact N-O 3.22Å; V258-A321 PolarHBondContact O-N 3.19Å; V258-E359 CarbonylContact C-O 3.59Å; V258-E359 WeakPolarHBondContact CA-O 3.32Å; V258-H361 HydrophobicContact CG1-CB 3.76Å
259	C	98.8	Very high	98.3	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	143.4	175.4	-65.9	0	0	0	0	110.6	L319 E359 I360 H361	C259-L319 PolarHBondContact SG-O 3.46Å; C259-E359 PolarHBondContact N-O 3.24Å; C259-I360 HydrophobicContact CB-CG1 3.99Å; C259-I360 WeakPolarHBondContact O-CA 3.35Å; C259-H361 PolarHBondContact O-N 2.93Å
260	P	98.7	Very high	98.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	160.6	161.3	32.4	-34.8	0	0	0	110.1	I262 L319 S364 V366	P260-I262 PolarHBondContact O-N 2.93Å; P260-L319 HydrophobicContact CG-CB 3.78Å; P260-L319 HydrophobicContact CG-CD2 4.19Å; P260-S364 CarbonylContact C-O 3.52Å; P260-S364 WeakPolarHBondContact CA-O 3.2Å; P260-S364 WeakPolarHBondContact CB-OG 3.43Å; P260-V366 HydrophobicContact CB-CB 4.27Å; P260-V366 HydrophobicContact CB-CG2 3.81Å; P260-V366 HydrophobicContact CG-CB 4.2Å; P260-V366 HydrophobicContact CG-CG2 3.92Å
261	V	98.4	Very high	98.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.7	155.7	-178.6	0	0	0	0	107.4	Q275 P279 I360 S364 V366	V261-Q275 HydrophobicContact CG1-CB 4.08Å; V261-Q275 HydrophobicContact CG1-CG 4.34Å; V261-P279 HydrophobicContact CB-CB 4.39Å; V261-P279 HydrophobicContact CG1-CB 3.8Å; V261-P279 HydrophobicContact CG2-CB 3.66Å; V261-P279 HydrophobicContact CG2-CG 3.81Å; V261-I360 HydrophobicContact CG2-CG2 3.87Å; V261-S364 PolarHBondContact N-O 3.05Å; V261-V366 PolarHBondContact O-N 2.9Å
262	I	98.3	Very high	98.3	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.056	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.7	178.7	-57.6	173	0	0	0	107.3	P260 Q275 W292 A316 L319 V366 H368 F370	P260-I262 PolarHBondContact O-N 2.93Å; I262-Q275 PolarHBondContact O-NE2 3.23Å; I262-Q275 VanDerWaalsContact O-NE2 3.13Å; I262-W292 HydrophobicContact CB-CH2 4.47Å; I262-W292 HydrophobicContact CB-CZ2 4.5Å; I262-W292 HydrophobicContact CD1-CH2 4.36Å; I262-W292 HydrophobicContact CD1-CZ2 4.46Å; I262-A316 HydrophobicContact CD1-CB 3.62Å; I262-L319 HydrophobicContact CD1-CB 4.34Å; I262-L319 HydrophobicContact CD1-CD1 3.98Å; I262-L319 HydrophobicContact CG1-CB 4.42Å; I262-L319 HydrophobicContact CG1-CD1 4.28Å; I262-V366 WeakPolarHBondContact CA-O 3.47Å; I262-H368 HydrophobicContact CG2-CB 3.67Å; I262-F370 HydrophobicContact CG2-CE2 4.07Å; I262-F370 HydrophobicContact CG2-CZ 3.77Å
263	D	98	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	148.8	176.6	-67.1	-45.6	0	0	0	110.3	F272 Y273 Q275 H365 V366 G367 H368	D263-F272 HydrophobicContact CB-CD1 4.39Å; D263-F272 HydrophobicContact CB-CE1 3.55Å; D263-F272 HydrophobicContact CB-CZ 3.76Å; D263-Y273 WeakPolarHBondContact CB-O 3.43Å; D263-Q275 PolarHBondContact OD1-N 3.41Å; D263-H365 IonicContact OD1-ND1 2.85Å; D263-H365 PolarHBondContact OD1-ND1 2.94Å; D263-H365 WeakPolarHBondContact OD2-CB 3.49Å; D263-H365 IonicContact OD2-CE1 3.28Å; D263-H365 IonicContact OD2-CG 2.66Å; D263-H365 IonicContact OD2-ND1 3.37Å; D263-H365 PolarHBondContact OD2-ND1 3.27Å; D263-V366 PolarHBondContact N-O 3.32Å; D263-G367 CarbonylContact O-C 3.52Å; D263-G367 WeakPolarHBondContact O-CA 3.45Å; D263-H368 PolarHBondContact O-N 3.5Å
264	T	97.9	Very high	98.2	Very high	56 Å²	56	27.1 Å²	27.1	34%	0.344	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.3	178.7	-64.5	0	0	0	0	109.5	Y273 F370	T264-Y273 HydrophobicContact CG2-CD2 4Å; T264-Y273 PolarHBondContact O-N 3.2Å; T264-F370 HydrophobicContact CG2-CD2 4.02Å
265	I	98.6	Very high	97.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.3	158.5	-57.6	170.6	0	0	0	106.8	E237 W267 F270 E271 F272 H368 V369	E237-I265 HydrophobicContact CB-CD1 3.83Å; E237-I265 HydrophobicContact CG-CD1 3.77Å; I265-W267 PolarHBondContact O-N 3.12Å; I265-F270 HydrophobicContact CG2-CB 4.39Å; I265-F270 HydrophobicContact CG2-CD1 4.02Å; I265-F270 HydrophobicContact CG2-CG 4.4Å; I265-E271 WeakPolarHBondContact CA-O 3.31Å; I265-F272 HydrophobicContact CD1-CD2 4.05Å; I265-F272 HydrophobicContact CD1-CE2 4.25Å; I265-F272 HydrophobicContact CG1-CD2 3.74Å; I265-F272 HydrophobicContact CG1-CE2 4.18Å; I265-F272 HydrophobicContact CG1-CG 4.43Å; I265-H368 PolarHBondContact N-O 2.85Å; I265-V369 HydrophobicContact CB-CG2 3.89Å; I265-V369 HydrophobicContact CD1-CG2 4.28Å; I265-V369 HydrophobicContact CG2-CG2 3.84Å; I265-V369 WeakPolarHBondContact O-CA 3.31Å
266	D	98.4	Very high	97.5	Very high	37 Å²	37	28.3 Å²	28.3	20%	0.198	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	127.6	-179.9	-173.2	-94.5	0	0	0	110.7	N268 N269 F270 E271 Y273	D266-N268 PolarHBondContact O-N 3.04Å; D266-N268 VanDerWaalsContact OD1-CA 3.29Å; D266-N268 WeakPolarHBondContact OD1-CA 3.41Å; D266-N268 VanDerWaalsContact OD1-CB 3.22Å; D266-N268 WeakPolarHBondContact OD1-CB 3.33Å; D266-N268 PolarHBondContact OD1-N 2.64Å; D266-N269 WeakPolarHBondContact CB-OD1 3.45Å; D266-N269 PolarHBondContact OD1-N 3.33Å; D266-N269 PolarHBondContact OD1-OD1 3Å; D266-F270 WeakPolarHBondContact O-CA 3.45Å; D266-F270 PolarHBondContact O-N 3.31Å; D266-E271 HydrophobicContact CB-CB 4.47Å; D266-E271 PolarHBondContact N-O 3.29Å; D266-Y273 HydrophobicContact CB-CE2 3.96Å
267	W	98.1	Very high	97.1	Very high	56 Å²	56	33.9 Å²	33.9	21%	0.212	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.6	-177.6	63.7	-92.4	0	0	0	113.4	V103 I108 N109 I265 V369 F370 K372	V103-W267 HydrophobicContact CG1-CE3 4.43Å; V103-W267 HydrophobicContact CG1-CH2 4.46Å; V103-W267 HydrophobicContact CG1-CZ3 3.73Å; V103-W267 HydrophobicContact CG2-CZ3 4.19Å; I108-W267 HydrophobicContact CG1-CB 4.36Å; I108-W267 HydrophobicContact CG2-CB 4.48Å; N109-W267 WeakPolarHBondContact CB-O 3.45Å; N109-W267 PolarHBondContact N-O 3.26Å; I265-W267 PolarHBondContact O-N 3.12Å; W267-V369 HydrophobicContact CB-CG1 3.99Å; W267-F370 WeakPolarHBondContact CB-O 3.49Å; W267-F370 VanDerWaalsContact CD1-O 3.27Å; W267-K372 HydrophobicContact CD2-CB 3.77Å; W267-K372 HydrophobicContact CD2-CG 4.45Å; W267-K372 HydrophobicContact CE3-CB 4.06Å; W267-K372 HydrophobicContact CG-CB 4.33Å; W267-K372 HydrophobicContact CH2-CB 4.29Å; W267-K372 HydrophobicContact CH2-CD 3.57Å; W267-K372 HydrophobicContact CH2-CG 4.06Å; W267-K372 HydrophobicContact CZ2-CB 3.96Å; W267-K372 HydrophobicContact CZ2-CD 3.72Å; W267-K372 HydrophobicContact CZ2-CG 3.69Å; W267-K372 HydrophobicContact CZ3-CB 4.32Å; W267-K372 HydrophobicContact CZ3-CD 4.02Å
268	N	97.6	Very high	96.8	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-46.3	-174.4	-171	53.4	0	0	0	112.6	N109 D266	N109-N268 VanDerWaalsContact CB-O 3.28Å; N109-N268 WeakPolarHBondContact CB-O 3.32Å; N109-N268 PolarHBondContact ND2-O 3.46Å; N109-N268 VanDerWaalsContact ND2-O 3.09Å; N109-N268 PolarHBondContact ND2-OD1 2.99Å; D266-N268 PolarHBondContact O-N 3.04Å; D266-N268 VanDerWaalsContact OD1-CA 3.29Å; D266-N268 WeakPolarHBondContact OD1-CA 3.41Å; D266-N268 VanDerWaalsContact OD1-CB 3.22Å; D266-N268 WeakPolarHBondContact OD1-CB 3.33Å; D266-N268 PolarHBondContact OD1-N 2.64Å
269	N	97.6	Very high	96.6	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.112	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-2.2	-175.8	72.5	15.4	0	0	0	114.2	A86 T87 D266 E271	A86-N269 HydrophobicContact CB-CB 4.39Å; T87-N269 PolarHBondContact N-O 3.13Å; D266-N269 WeakPolarHBondContact CB-OD1 3.45Å; D266-N269 PolarHBondContact OD1-N 3.33Å; D266-N269 PolarHBondContact OD1-OD1 3Å; N269-E271 PolarHBondContact O-N 2.9Å; N269-E271 WeakPolarHBondContact OD1-CB 3.17Å; N269-E271 PolarHBondContact OD1-N 2.84Å
270	F	98.4	Very high	96.4	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	20%	0.2	C	C	.	.			trans	59.2	22.7	179.7	-80.4	-106	0	0	0	115.2	I108 N109 V112 S113 I116 R120 T156 I265 D266 V369	I108-F270 HydrophobicContact CG2-CE2 3.74Å; I108-F270 HydrophobicContact CG2-CZ 3.57Å; N109-F270 VanDerWaalsContact O-CE2 3.31Å; N109-F270 WeakPolarHBondContact O-CE2 3.48Å; V112-F270 HydrophobicContact CG1-CD2 4.04Å; S113-F270 VanDerWaalsContact CB-CZ 3.4Å; I116-F270 HydrophobicContact CD1-CB 3.36Å; I116-F270 HydrophobicContact CD1-CD1 4.38Å; I116-F270 HydrophobicContact CD1-CD2 4.46Å; I116-F270 HydrophobicContact CD1-CG 3.84Å; R120-F270 PolarHBondContact NH1-O 3.23Å; R120-F270 PolarHBondContact NH2-O 2.96Å; R120-F270 VanDerWaalsContact NH2-O 3.1Å; T156-F270 HydrophobicContact CG2-CE1 4.15Å; T156-F270 HydrophobicContact CG2-CZ 4.08Å; I265-F270 HydrophobicContact CG2-CB 4.39Å; I265-F270 HydrophobicContact CG2-CD1 4.02Å; I265-F270 HydrophobicContact CG2-CG 4.4Å; D266-F270 WeakPolarHBondContact O-CA 3.45Å; D266-F270 PolarHBondContact O-N 3.31Å; F270-V369 HydrophobicContact CE1-CG2 4.04Å
271	E	98.6	Very high	96.3	Very high	62 Å²	62	40.2 Å²	40.2	29%	0.29	20%	0.2	S	C	.	.			trans	-63.4	137.2	168.3	-170	167.6	-157.8	0	0	110.3	G84 A86 I265 D266 N269 Y273	G84-E271 CarbonylContact O-C 3.57Å; G84-E271 WeakPolarHBondContact O-CA 3.5Å; A86-E271 HydrophobicContact CB-CB 3.94Å; A86-E271 HydrophobicContact CB-CG 4.22Å; I265-E271 WeakPolarHBondContact CA-O 3.31Å; D266-E271 HydrophobicContact CB-CB 4.47Å; D266-E271 PolarHBondContact N-O 3.29Å; N269-E271 PolarHBondContact O-N 2.9Å; N269-E271 WeakPolarHBondContact OD1-CB 3.17Å; N269-E271 PolarHBondContact OD1-N 2.84Å; E271-Y273 HydrophobicContact CB-CE1 4.38Å; E271-Y273 HydrophobicContact CB-CE2 4.39Å; E271-Y273 HydrophobicContact CG-CD1 4.32Å; E271-Y273 HydrophobicContact CG-CE1 3.75Å; E271-Y273 WeakPolarHBondContact OE2-CE1 3.45Å; E271-Y273 VanDerWaalsContact OE2-CZ 3.23Å; E271-Y273 PolarHBondContact OE2-OH 3.16Å
272	F	98.5	Very high	96.3	Very high	20 Å²	20	40 Å²	40	9%	0.088	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	108.7	179.2	-167.5	-68.9	0	0	0	109.6	G84 I122 E237 V239 D263 I265 M274 G367	G84-F272 PolarHBondContact O-N 2.97Å; I122-F272 HydrophobicContact CD1-CB 4.29Å; I122-F272 HydrophobicContact CD1-CD2 3.63Å; I122-F272 HydrophobicContact CD1-CE2 4.26Å; I122-F272 HydrophobicContact CD1-CG 4.16Å; I122-F272 HydrophobicContact CG1-CD2 4.03Å; I122-F272 HydrophobicContact CG1-CE2 4.17Å; I122-F272 HydrophobicContact CG2-CD1 3.96Å; I122-F272 HydrophobicContact CG2-CD2 3.91Å; I122-F272 HydrophobicContact CG2-CE1 4.07Å; I122-F272 HydrophobicContact CG2-CE2 3.97Å; I122-F272 HydrophobicContact CG2-CG 3.9Å; I122-F272 HydrophobicContact CG2-CZ 4.08Å; E237-F272 HydrophobicContact CB-CE2 4.44Å; V239-F272 HydrophobicContact CG2-CE1 4.22Å; V239-F272 HydrophobicContact CG2-CE2 4.45Å; V239-F272 HydrophobicContact CG2-CZ 3.69Å; D263-F272 HydrophobicContact CB-CD1 4.39Å; D263-F272 HydrophobicContact CB-CE1 3.55Å; D263-F272 HydrophobicContact CB-CZ 3.76Å; I265-F272 HydrophobicContact CD1-CD2 4.05Å; I265-F272 HydrophobicContact CD1-CE2 4.25Å; I265-F272 HydrophobicContact CG1-CD2 3.74Å; I265-F272 HydrophobicContact CG1-CE2 4.18Å; I265-F272 HydrophobicContact CG1-CG 4.43Å; F272-M274 HydrophobicContact CD1-CB 3.97Å; F272-M274 HydrophobicContact CD1-CE 4.36Å; F272-M274 HydrophobicContact CE1-CB 3.8Å; F272-M274 HydrophobicContact CE1-CE 3.81Å; F272-M274 HydrophobicContact CE1-CG 4.27Å; F272-M274 HydrophobicContact CZ-CE 4.49Å; F272-M274 PolarHBondContact O-N 2.84Å; F272-G367 VanDerWaalsContact CE2-CA 3.4Å
273	Y	97.4	Very high	96.2	Very high	104 Å²	104	39.5 Å²	39.5	41%	0.408	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	86.8	176.8	-60.3	-63.2	0	0	0	110.9	D263 T264 D266 E271	D263-Y273 WeakPolarHBondContact CB-O 3.43Å; T264-Y273 HydrophobicContact CG2-CD2 4Å; T264-Y273 PolarHBondContact O-N 3.2Å; D266-Y273 HydrophobicContact CB-CE2 3.96Å; E271-Y273 HydrophobicContact CB-CE1 4.38Å; E271-Y273 HydrophobicContact CB-CE2 4.39Å; E271-Y273 HydrophobicContact CG-CD1 4.32Å; E271-Y273 HydrophobicContact CG-CE1 3.75Å; E271-Y273 WeakPolarHBondContact OE2-CE1 3.45Å; E271-Y273 VanDerWaalsContact OE2-CZ 3.23Å; E271-Y273 PolarHBondContact OE2-OH 3.16Å
274	M	96	Very high	96.1	Very high	25 Å²	25	39.7 Å²	39.7	12%	0.123	20%	0.197	C	C	.	.			trans	-74.1	128.5	176.2	-169.3	174.8	-61.9	0	0	111.2	I122 Q123 H125 R126 V239 F272 T276	I122-M274 HydrophobicContact CG2-CE 3.92Å; Q123-M274 WeakPolarHBondContact O-CE 3.34Å; H125-M274 HydrophobicContact CB-SD 3.75Å; H125-M274 PolarHBondContact N-SD 3.01Å; H125-M274 VanDerWaalsContact N-SD 3.39Å; R126-M274 HydrophobicContact CG-SD 4.14Å; V239-M274 HydrophobicContact CB-CE 4.4Å; V239-M274 HydrophobicContact CG1-CE 3.9Å; V239-M274 HydrophobicContact CG2-CE 3.53Å; F272-M274 HydrophobicContact CD1-CB 3.97Å; F272-M274 HydrophobicContact CD1-CE 4.36Å; F272-M274 HydrophobicContact CE1-CB 3.8Å; F272-M274 HydrophobicContact CE1-CE 3.81Å; F272-M274 HydrophobicContact CE1-CG 4.27Å; F272-M274 HydrophobicContact CZ-CE 4.49Å; F272-M274 PolarHBondContact O-N 2.84Å; M274-T276 PolarHBondContact O-N 2.92Å
275	Q	93	Very high	95.9	Very high	55 Å²	55	37.6 Å²	37.6	26%	0.257	18%	0.184	S	C	.	.			trans	-73.6	111.6	169.2	-65.4	178.2	66.3	0	0	109.4	V261 I262 D263 H365	V261-Q275 HydrophobicContact CG1-CB 4.08Å; V261-Q275 HydrophobicContact CG1-CG 4.34Å; I262-Q275 PolarHBondContact O-NE2 3.23Å; I262-Q275 VanDerWaalsContact O-NE2 3.13Å; D263-Q275 PolarHBondContact OD1-N 3.41Å; Q275-H365 PolarHBondContact O-CE1 3.06Å
276	T	90.1	Very high	95.7	Very high	66 Å²	66	37.8 Å²	37.8	41%	0.405	18%	0.184	S	C	.	.			trans	-94.9	-15.7	-176.3	53.8	0	0	0	0	113.9	H125 M274	H125-T276 HydrophobicContact CB-CG2 3.62Å; H125-T276 WeakPolarHBondContact O-CG2 3.27Å; M274-T276 PolarHBondContact O-N 2.92Å
277	D	88.4	Confident	95.4	Very high	116 Å²	116	40.1 Å²	40.1	62%	0.62	19%	0.19	S	C	*	.	S	Bend	trans	-107.5	-158.8	179.4	-72.1	-44.6	0	0	0	111.4	P279	D277-P279 WeakPolarHBondContact O-CD 3.48Å
278	E	93.2	Very high	95.3	Very high	71 Å²	71	37.6 Å²	37.6	33%	0.332	18%	0.181	S	C	.	.	S	Bend	trans	-59.9	122.7	175.6	-179.4	173	-104.9	0	0	110.8	V295 R300 R303	E278-V295 HydrophobicContact CG-CB 4.29Å; E278-V295 HydrophobicContact CG-CG2 3.64Å; E278-R300 IonicContact OE1-NE 2.76Å; E278-R300 PolarHBondContact OE1-NE 3.45Å; E278-R300 IonicContact OE2-CZ 3.77Å; E278-R300 VanDerWaalsContact OE2-CZ 3.22Å; E278-R300 IonicContact OE2-NE 3.8Å; E278-R300 PolarHBondContact OE2-NE 3.33Å; E278-R300 IonicContact OE2-NH2 2.8Å; E278-R300 PolarHBondContact OE2-NH2 3.08Å; E278-R303 IonicContact OE1-CZ 3.67Å; E278-R303 IonicContact OE1-NH2 2.96Å; E278-R303 PolarHBondContact OE1-NH2 3.21Å
279	P	94.9	Very high	95.1	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.026	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-74.4	158.9	-177.4	32.2	-37.1	0	0	0	111.6	V261 D277 I310 I360 P362	V261-P279 HydrophobicContact CB-CB 4.39Å; V261-P279 HydrophobicContact CG1-CB 3.8Å; V261-P279 HydrophobicContact CG2-CB 3.66Å; V261-P279 HydrophobicContact CG2-CG 3.81Å; D277-P279 WeakPolarHBondContact O-CD 3.48Å; P279-I310 HydrophobicContact CG-CD1 3.64Å; P279-I360 HydrophobicContact CG-CG2 4.37Å; P279-P362 HydrophobicContact CG-CG 4.41Å
280	M	94.5	Very high	95	Very high	66 Å²	66	37 Å²	37	33%	0.325	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-70.9	151	167.1	-60.8	-66.5	-81.2	0	0	110.6	W292	M280-W292 HydrophobicContact CB-CB 4.21Å; M280-W292 HydrophobicContact CB-CD2 4.29Å; M280-W292 HydrophobicContact CB-CE3 3.73Å; M280-W292 HydrophobicContact CB-CZ3 4.47Å; M280-W292 HydrophobicContact CE-CB 4.23Å; M280-W292 WeakPolarHBondContact O-CZ3 3.39Å
281	I	97.1	Very high	94.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	165.1	175.1	64	171.1	0	0	0	111.4	W292 H293 V295 I310 I360	I281-W292 WeakPolarHBondContact O-CA 3.39Å; I281-H293 VanDerWaalsContact CD1-CE1 3.49Å; I281-H293 WeakPolarHBondContact CD1-CE1 3.34Å; I281-H293 VanDerWaalsContact CG1-CE1 3.48Å; I281-H293 WeakPolarHBondContact CG1-CE1 3.48Å; I281-H293 PolarHBondContact N-O 2.82Å; I281-H293 PolarHBondContact O-N 2.68Å; I281-V295 HydrophobicContact CG2-CG2 3.97Å; I281-I310 HydrophobicContact CG2-CB 4.29Å; I281-I310 HydrophobicContact CG2-CG2 3.72Å; I281-I360 HydrophobicContact CB-CD1 4.01Å; I281-I360 HydrophobicContact CG2-CD1 3.9Å
282	G	97.3	Very high	94.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.3	-174.7	0	0	0	0	0	113.6	F290 S312 P313 T314	G282-F290 VanDerWaalsContact CA-CE2 3.45Å; G282-S312 PolarHBondContact N-OG 2.97Å; G282-S312 PolarHBondContact O-OG 3.32Å; G282-P313 WeakPolarHBondContact O-CB 3.19Å; G282-P313 WeakPolarHBondContact O-CD 3.29Å; G282-T314 WeakPolarHBondContact CA-O 3.44Å; G282-T314 PolarHBondContact O-N 2.97Å; G282-T314 PolarHBondContact O-OG1 3.1Å
283	G	96.8	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-159.1	168.6	0	0	0	0	0	111.8	Q291 T314	G283-Q291 CarbonylContact C-O 3.58Å; G283-Q291 PolarHBondContact N-O 3.32Å; G283-Q291 PolarHBondContact O-N 2.98Å; G283-Q291 VanDerWaalsContact O-N 3.14Å; G283-T314 WeakPolarHBondContact CA-OG1 3.48Å; G283-T314 PolarHBondContact N-OG1 2.69Å; G283-T314 PolarHBondContact O-OG1 3.47Å
284	F	95.9	Very high	94.1	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	155	174.1	66	-80.2	0	0	0	110.5	L288 T289 T314 L345 F349 F430 Y433 L434 Y438 L441	F284-L288 HydrophobicContact CD2-CD2 3.7Å; F284-L288 HydrophobicContact CE2-CD2 3.92Å; F284-T289 WeakPolarHBondContact CA-O 3.48Å; F284-T289 WeakPolarHBondContact CB-O 3.46Å; F284-T314 HydrophobicContact CD1-CG2 3.7Å; F284-T314 HydrophobicContact CE1-CG2 4.49Å; F284-L345 HydrophobicContact CB-CD1 4.18Å; F284-L345 HydrophobicContact CB-CD2 3.86Å; F284-F349 AromaticContact CD1-CE1 3.9Å; F284-F349 HydrophobicContact CD1-CE1 3.9Å; F284-F349 HydrophobicContact CD1-CZ 4.1Å; F284-F349 HydrophobicContact CD2-CZ 4.38Å; F284-F349 AromaticContact CE1-CE1 3.61Å; F284-F349 HydrophobicContact CE1-CE1 3.61Å; F284-F349 AromaticContact CE1-CZ 3.93Å; F284-F349 HydrophobicContact CE1-CZ 3.93Å; F284-F349 HydrophobicContact CE2-CZ 4.25Å; F284-F349 HydrophobicContact CG-CZ 4.35Å; F284-F349 HydrophobicContact CZ-CE1 4.08Å; F284-F349 HydrophobicContact CZ-CZ 4.03Å; F284-F430 HydrophobicContact CE2-CZ 4.35Å; F284-F430 HydrophobicContact CZ-CE1 4.48Å; F284-F430 AromaticContact CZ-CZ 3.73Å; F284-F430 HydrophobicContact CZ-CZ 3.73Å; F284-Y433 AromaticContact CE1-CE1 3.88Å; F284-Y433 HydrophobicContact CE1-CE1 3.88Å; F284-Y433 HydrophobicContact CZ-CE1 4.36Å; F284-L434 HydrophobicContact CZ-CD2 4.48Å; F284-Y438 HydrophobicContact CD1-CD1 4.11Å; F284-Y438 AromaticContact CD1-CE1 3.98Å; F284-Y438 HydrophobicContact CD1-CE1 3.98Å; F284-Y438 AromaticContact CE1-CD1 3.73Å; F284-Y438 HydrophobicContact CE1-CD1 3.73Å; F284-Y438 HydrophobicContact CE1-CE1 4.03Å; F284-L441 HydrophobicContact CE1-CD2 3.97Å; F284-L441 HydrophobicContact CE2-CD2 3.83Å; F284-L441 HydrophobicContact CZ-CD2 3.48Å; F284-L441 VanDerWaalsContact CZ-CD2 3.48Å
285	D	93.4	Very high	94.1	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	20%	0.2	C	C	.	.			trans	-94.2	169.4	168.2	68.1	7.5	0	0	0	111.5	R287 L288 T289 Q291	D285-R287 PolarHBondContact O-N 3.33Å; D285-R287 VanDerWaalsContact O-N 3.07Å; D285-R287 WeakPolarHBondContact OD1-CA 3.42Å; D285-R287 WeakPolarHBondContact OD1-CB 3.45Å; D285-R287 PolarHBondContact OD1-N 2.84Å; D285-R287 VanDerWaalsContact OD1-N 3.14Å; D285-L288 WeakPolarHBondContact O-CA 3.42Å; D285-L288 PolarHBondContact O-N 2.89Å; D285-L288 PolarHBondContact OD1-N 3.24Å; D285-T289 PolarHBondContact N-O 3.08Å; D285-T289 VanDerWaalsContact N-O 3.11Å; D285-T289 PolarHBondContact OD1-N 3.25Å; D285-T289 PolarHBondContact OD1-OG1 3.2Å; D285-T289 PolarHBondContact OD2-OG1 3.4Å; D285-Q291 HydrophobicContact CB-CG 4.22Å
286	W	94.8	Very high	94.2	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.015	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.4	179.8	-69.9	105.5	0	0	0	114.3	M393 Y396 H399 F400 F430 L434 L441 H442 V443 P444	W286-M393 HydrophobicContact CE3-CE 4.26Å; W286-M393 HydrophobicContact CZ3-CE 3.83Å; W286-Y396 HydrophobicContact CH2-CD1 4.18Å; W286-H399 HydrophobicContact CD2-CB 4.05Å; W286-H399 HydrophobicContact CE3-CB 3.57Å; W286-H399 HydrophobicContact CZ3-CB 3.97Å; W286-H399 AromaticContact CZ3-CD2 3.9Å; W286-F400 WeakPolarHBondContact O-CA 3.46Å; W286-F430 HydrophobicContact CH2-CE1 4.35Å; W286-F430 HydrophobicContact CZ3-CE1 4.42Å; W286-L434 HydrophobicContact CH2-CD1 4.15Å; W286-L434 HydrophobicContact CH2-CD2 4.44Å; W286-L441 HydrophobicContact CZ2-CD2 4Å; W286-L441 HydrophobicContact CZ2-CG 4.38Å; W286-H442 PolarHBondContact NE1-O 2.79Å; W286-V443 HydrophobicContact CH2-CG1 4.42Å; W286-V443 HydrophobicContact CZ2-CB 4.3Å; W286-V443 HydrophobicContact CZ2-CG1 4.17Å; W286-V443 HydrophobicContact CZ2-CG2 4.12Å; W286-P444 HydrophobicContact CD2-CG 4.48Å; W286-P444 VanDerWaalsContact CE2-CD 3.43Å; W286-P444 HydrophobicContact CG-CG 4.22Å
287	R	92.2	Very high	94.3	Very high	86 Å²	86	40.4 Å²	40.4	33%	0.325	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.9	163.3	-73.6	172.1	68.9	-178.8	0.9	112.8	D285 T289 F400 R403 S504	D285-R287 PolarHBondContact O-N 3.33Å; D285-R287 VanDerWaalsContact O-N 3.07Å; D285-R287 WeakPolarHBondContact OD1-CA 3.42Å; D285-R287 WeakPolarHBondContact OD1-CB 3.45Å; D285-R287 PolarHBondContact OD1-N 2.84Å; D285-R287 VanDerWaalsContact OD1-N 3.14Å; R287-T289 VanDerWaalsContact C-N 3.29Å; R287-T289 HydrophobicContact CB-CG2 4.31Å; R287-F400 WeakPolarHBondContact O-CE2 3.28Å; R287-R403 HydrophobicContact CG-CB 4.18Å; R287-S504 WeakPolarHBondContact CD-O 3.46Å; R287-S504 WeakPolarHBondContact CG-O 3.36Å
288	L	95.6	Very high	94.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.193	C	C	.	.			trans	57.9	42.6	-176.6	-58.8	179.4	0	0	0	111.9	F284 D285 L345 T385 A389 M393 F400	F284-L288 HydrophobicContact CD2-CD2 3.7Å; F284-L288 HydrophobicContact CE2-CD2 3.92Å; D285-L288 WeakPolarHBondContact O-CA 3.42Å; D285-L288 PolarHBondContact O-N 2.89Å; D285-L288 PolarHBondContact OD1-N 3.24Å; L288-L345 HydrophobicContact CB-CD1 4.02Å; L288-L345 WeakPolarHBondContact O-CD1 3.35Å; L288-T385 HydrophobicContact CB-CG2 3.35Å; L288-T385 HydrophobicContact CD1-CG2 3.59Å; L288-T385 HydrophobicContact CG-CG2 4.1Å; L288-A389 HydrophobicContact CD1-CB 3.8Å; L288-M393 HydrophobicContact CD1-CE 4.42Å; L288-M393 HydrophobicContact CD1-SD 3.57Å; L288-M393 VanDerWaalsContact CD1-SD 3.57Å; L288-M393 HydrophobicContact CD2-CE 3.81Å; L288-M393 HydrophobicContact CD2-SD 3.7Å; L288-M393 HydrophobicContact CG-SD 4.23Å; L288-F400 HydrophobicContact CB-CD2 4.06Å; L288-F400 HydrophobicContact CB-CE2 4.21Å; L288-F400 HydrophobicContact CD1-CB 3.98Å; L288-F400 HydrophobicContact CD1-CD1 3.91Å; L288-F400 HydrophobicContact CD1-CD2 3.58Å; L288-F400 HydrophobicContact CD1-CE1 4.28Å; L288-F400 HydrophobicContact CD1-CE2 3.97Å; L288-F400 HydrophobicContact CD1-CG 3.53Å; L288-F400 HydrophobicContact CD1-CZ 4.3Å; L288-F400 HydrophobicContact CG-CB 4.11Å; L288-F400 HydrophobicContact CG-CD2 3.57Å; L288-F400 HydrophobicContact CG-CE2 4.15Å; L288-F400 HydrophobicContact CG-CG 3.89Å
289	T	93.2	Very high	94.5	Very high	34 Å²	34	35.4 Å²	35.4	21%	0.209	18%	0.182	C	C	.	.			trans	-101.3	141.5	166.6	70.7	0	0	0	0	109.4	F284 D285 R287 Q291 F381	F284-T289 WeakPolarHBondContact CA-O 3.48Å; F284-T289 WeakPolarHBondContact CB-O 3.46Å; D285-T289 PolarHBondContact N-O 3.08Å; D285-T289 VanDerWaalsContact N-O 3.11Å; D285-T289 PolarHBondContact OD1-N 3.25Å; D285-T289 PolarHBondContact OD1-OG1 3.2Å; D285-T289 PolarHBondContact OD2-OG1 3.4Å; R287-T289 VanDerWaalsContact C-N 3.29Å; R287-T289 HydrophobicContact CB-CG2 4.31Å; T289-Q291 PolarHBondContact OG1-NE2 3.42Å; T289-F381 HydrophobicContact CG2-CE1 4.39Å; T289-F381 HydrophobicContact CG2-CZ 4.05Å
290	F	94.8	Very high	94.5	Very high	44 Å²	44	39.6 Å²	39.6	19%	0.193	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.6	176.3	172.2	-90	0	0	0	110.5	G282 W292 T314 M315 A316	G282-F290 VanDerWaalsContact CA-CE2 3.45Å; F290-W292 AromaticContact CE1-CD1 3.9Å; F290-W292 AromaticContact CE1-CD2 3.8Å; F290-W292 HydrophobicContact CE1-CD2 3.8Å; F290-W292 AromaticContact CE1-CE2 3.53Å; F290-W292 HydrophobicContact CE1-CE3 4.44Å; F290-W292 HydrophobicContact CE1-CG 4.04Å; F290-W292 AromaticContact CE1-CZ2 3.98Å; F290-W292 HydrophobicContact CE1-CZ2 3.98Å; F290-W292 AromaticContact CE1-NE1 3.61Å; F290-W292 AromaticContact CZ-CD2 3.86Å; F290-W292 HydrophobicContact CZ-CD2 3.86Å; F290-W292 AromaticContact CZ-CE2 3.82Å; F290-W292 HydrophobicContact CZ-CE3 4.03Å; F290-W292 HydrophobicContact CZ-CG 4.44Å; F290-W292 HydrophobicContact CZ-CH2 4.15Å; F290-W292 AromaticContact CZ-CZ2 3.98Å; F290-W292 HydrophobicContact CZ-CZ2 3.98Å; F290-W292 HydrophobicContact CZ-CZ3 4.18Å; F290-T314 WeakPolarHBondContact CD2-OG1 3.4Å; F290-T314 WeakPolarHBondContact CE2-OG1 3.46Å; F290-M315 VanDerWaalsContact CD2-O 3.32Å; F290-M315 WeakPolarHBondContact CD2-O 3.42Å; F290-M315 WeakPolarHBondContact CE2-O 3.47Å; F290-A316 HydrophobicContact CE1-CB 4.11Å; F290-A316 HydrophobicContact CE2-CB 4.29Å; F290-A316 VanDerWaalsContact CE2-N 3.29Å; F290-A316 HydrophobicContact CZ-CB 3.89Å
291	Q	93.1	Very high	94.4	Very high	80 Å²	80	43.2 Å²	43.2	37%	0.374	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.2	179	-62.8	-59.9	-26.4	0	0	110.6	G283 D285 T289	G283-Q291 CarbonylContact C-O 3.58Å; G283-Q291 PolarHBondContact N-O 3.32Å; G283-Q291 PolarHBondContact O-N 2.98Å; G283-Q291 VanDerWaalsContact O-N 3.14Å; D285-Q291 HydrophobicContact CB-CG 4.22Å; T289-Q291 PolarHBondContact OG1-NE2 3.42Å
292	W	93.7	Very high	94.2	Very high	92 Å²	92	49 Å²	49	35%	0.348	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.3	169.5	-68.7	107.9	0	0	0	110.1	I262 M280 I281 F290 A316 I360	I262-W292 HydrophobicContact CB-CH2 4.47Å; I262-W292 HydrophobicContact CB-CZ2 4.5Å; I262-W292 HydrophobicContact CD1-CH2 4.36Å; I262-W292 HydrophobicContact CD1-CZ2 4.46Å; M280-W292 HydrophobicContact CB-CB 4.21Å; M280-W292 HydrophobicContact CB-CD2 4.29Å; M280-W292 HydrophobicContact CB-CE3 3.73Å; M280-W292 HydrophobicContact CB-CZ3 4.47Å; M280-W292 HydrophobicContact CE-CB 4.23Å; M280-W292 WeakPolarHBondContact O-CZ3 3.39Å; I281-W292 WeakPolarHBondContact O-CA 3.39Å; F290-W292 AromaticContact CE1-CD1 3.9Å; F290-W292 AromaticContact CE1-CD2 3.8Å; F290-W292 HydrophobicContact CE1-CD2 3.8Å; F290-W292 AromaticContact CE1-CE2 3.53Å; F290-W292 HydrophobicContact CE1-CE3 4.44Å; F290-W292 HydrophobicContact CE1-CG 4.04Å; F290-W292 AromaticContact CE1-CZ2 3.98Å; F290-W292 HydrophobicContact CE1-CZ2 3.98Å; F290-W292 AromaticContact CE1-NE1 3.61Å; F290-W292 AromaticContact CZ-CD2 3.86Å; F290-W292 HydrophobicContact CZ-CD2 3.86Å; F290-W292 AromaticContact CZ-CE2 3.82Å; F290-W292 HydrophobicContact CZ-CE3 4.03Å; F290-W292 HydrophobicContact CZ-CG 4.44Å; F290-W292 HydrophobicContact CZ-CH2 4.15Å; F290-W292 AromaticContact CZ-CZ2 3.98Å; F290-W292 HydrophobicContact CZ-CZ2 3.98Å; F290-W292 HydrophobicContact CZ-CZ3 4.18Å; W292-A316 HydrophobicContact CH2-CB 4.39Å; W292-A316 HydrophobicContact CZ2-CB 4.12Å; W292-I360 HydrophobicContact CZ3-CD1 4.31Å
293	H	93.6	Very high	94.1	Very high	34 Å²	34	50.6 Å²	50.6	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.4	170	68.9	92	0	0	0	111.5	I281 Y438	I281-H293 VanDerWaalsContact CD1-CE1 3.49Å; I281-H293 WeakPolarHBondContact CD1-CE1 3.34Å; I281-H293 VanDerWaalsContact CG1-CE1 3.48Å; I281-H293 WeakPolarHBondContact CG1-CE1 3.48Å; I281-H293 PolarHBondContact N-O 2.82Å; I281-H293 PolarHBondContact O-N 2.68Å; H293-Y438 AromaticContact CD2-CZ 3.98Å; H293-Y438 PolarHBondContact CD2-OH 2.79Å; H293-Y438 VanDerWaalsContact CD2-OH 3.27Å; H293-Y438 AromaticContact CE1-CE2 3.86Å; H293-Y438 AromaticContact NE2-CE2 3.57Å; H293-Y438 AromaticContact NE2-CZ 3.64Å; H293-Y438 PolarHBondContact NE2-OH 2.05Å
294	S	95.1	Very high	93.9	Very high	71 Å²	71	59.7 Å²	59.7	50%	0.497	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.9	154.1	177	-51.7	0	0	0	0	111.1	P296	S294-P296 WeakPolarHBondContact O-CD 3.33Å
295	V	95.9	Very high	93.8	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.024	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-61.8	123.7	176.3	-173.7	0	0	0	0	109.9	E278 I281 E299 R300 I310	E278-V295 HydrophobicContact CG-CB 4.29Å; E278-V295 HydrophobicContact CG-CG2 3.64Å; I281-V295 HydrophobicContact CG2-CG2 3.97Å; V295-E299 HydrophobicContact CG1-CB 3.92Å; V295-E299 HydrophobicContact CG1-CG 4.12Å; V295-R300 HydrophobicContact CB-CG 4.34Å; V295-R300 HydrophobicContact CG1-CG 3.87Å; V295-R300 VanDerWaalsContact O-CZ 3.26Å; V295-R300 PolarHBondContact O-NE 2.7Å; V295-R300 PolarHBondContact O-NH2 2.86Å; V295-I310 HydrophobicContact CG1-CG2 3.88Å; V295-I310 HydrophobicContact CG2-CD1 4.13Å; V295-I310 HydrophobicContact CG2-CG2 3.96Å
296	P	94.1	Very high	93.8	Very high	24 Å²	24	66.8 Å²	66.8	16%	0.156	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64	149.9	176	-23.3	33.7	0	0	0	112.3	S294 A298 E299 R300 D440	S294-P296 WeakPolarHBondContact O-CD 3.33Å; P296-A298 PolarHBondContact O-N 2.91Å; P296-E299 PolarHBondContact O-N 3.14Å; P296-R300 PolarHBondContact O-N 3.34Å; P296-D440 WeakPolarHBondContact CB-OD2 3.41Å; P296-D440 WeakPolarHBondContact CG-OD2 3.45Å
297	E	92.5	Very high	93.7	Very high	99 Å²	99	67.7 Å²	67.7	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-58.3	-38.9	-179	-170.1	56.2	-148.7	0	0	112.1	E299 R300 Q301	E297-E299 PolarHBondContact O-N 3.23Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 3.28Å; E297-R300 VanDerWaalsContact O-N 3.13Å; E297-R300 IonicContact OE2-NH1 3.78Å; E297-R300 PolarHBondContact OE2-NH1 3.02Å; E297-Q301 HydrophobicContact CG-CG 4.46Å; E297-Q301 WeakPolarHBondContact O-CG 3.14Å; E297-Q301 PolarHBondContact O-N 3.3Å; E297-Q301 PolarHBondContact OE1-NE2 3.08Å
298	A	91.9	Very high	93.9	Very high	62 Å²	62	66.9 Å²	66.9	51%	0.512	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-30.7	176.1	0	0	0	0	0	113.1	P296 K302	P296-A298 PolarHBondContact O-N 2.91Å; A298-K302 WeakPolarHBondContact O-CE 3.12Å; A298-K302 WeakPolarHBondContact O-CG 3.29Å
299	E	94.4	Very high	94	Very high	20 Å²	20	68.2 Å²	68.2	9%	0.093	33%	0.331	C	S	.	.	H	α-helix	trans	-83.5	-34.1	176.1	-169.5	59.7	-160	0	0	111.8	V295 P296 E297 Q301 K302 I310 R311	V295-E299 HydrophobicContact CG1-CB 3.92Å; V295-E299 HydrophobicContact CG1-CG 4.12Å; P296-E299 PolarHBondContact O-N 3.14Å; E297-E299 PolarHBondContact O-N 3.23Å; E299-Q301 VanDerWaalsContact C-N 3.33Å; E299-Q301 PolarHBondContact O-N 3.32Å; E299-K302 PolarHBondContact O-N 3.11Å; E299-K302 WeakPolarHBondContact OE2-CD 3.48Å; E299-K302 IonicContact OE2-NZ 2.84Å; E299-K302 PolarHBondContact OE2-NZ 3.01Å; E299-I310 HydrophobicContact CG-CG2 4.1Å; E299-R311 VanDerWaalsContact OE1-CB 3.31Å; E299-R311 WeakPolarHBondContact OE1-CB 3.48Å; E299-R311 WeakPolarHBondContact OE1-CD 3.26Å; E299-R311 VanDerWaalsContact OE1-CG 3.26Å; E299-R311 WeakPolarHBondContact OE1-CG 3.41Å; E299-R311 PolarHBondContact OE1-N 2.92Å
300	R	93.9	Very high	94.2	Very high	92 Å²	92	66.6 Å²	66.6	35%	0.347	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-45.3	171.7	-62.2	-170	-177.2	128.2	-1.9	112	E278 V295 P296 E297 K302 R303	E278-R300 IonicContact OE1-NE 2.76Å; E278-R300 PolarHBondContact OE1-NE 3.45Å; E278-R300 IonicContact OE2-CZ 3.77Å; E278-R300 VanDerWaalsContact OE2-CZ 3.22Å; E278-R300 IonicContact OE2-NE 3.8Å; E278-R300 PolarHBondContact OE2-NE 3.33Å; E278-R300 IonicContact OE2-NH2 2.8Å; E278-R300 PolarHBondContact OE2-NH2 3.08Å; V295-R300 HydrophobicContact CB-CG 4.34Å; V295-R300 HydrophobicContact CG1-CG 3.87Å; V295-R300 VanDerWaalsContact O-CZ 3.26Å; V295-R300 PolarHBondContact O-NE 2.7Å; V295-R300 PolarHBondContact O-NH2 2.86Å; P296-R300 PolarHBondContact O-N 3.34Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 3.28Å; E297-R300 VanDerWaalsContact O-N 3.13Å; E297-R300 IonicContact OE2-NH1 3.78Å; E297-R300 PolarHBondContact OE2-NH1 3.02Å; R300-K302 PolarHBondContact O-N 3.14Å; R300-R303 PolarHBondContact O-N 2.76Å; R300-R303 VanDerWaalsContact O-N 3.17Å
301	Q	93.9	Very high	94.4	Very high	143 Å²	143	68.4 Å²	68.4	67%	0.668	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.3	-177	-65.6	-60.4	-25.8	0	0	114.1	E297 E299	E297-Q301 HydrophobicContact CG-CG 4.46Å; E297-Q301 WeakPolarHBondContact O-CG 3.14Å; E297-Q301 PolarHBondContact O-N 3.3Å; E297-Q301 PolarHBondContact OE1-NE2 3.08Å; E299-Q301 VanDerWaalsContact C-N 3.33Å; E299-Q301 PolarHBondContact O-N 3.32Å
302	K	93.2	Very high	94.7	Very high	122 Å²	122	64.7 Å²	64.7	53%	0.53	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-24.2	174.9	-69.3	175	-154.6	154.1	0	112.8	A298 E299 R300	A298-K302 WeakPolarHBondContact O-CE 3.12Å; A298-K302 WeakPolarHBondContact O-CG 3.29Å; E299-K302 PolarHBondContact O-N 3.11Å; E299-K302 WeakPolarHBondContact OE2-CD 3.48Å; E299-K302 IonicContact OE2-NZ 2.84Å; E299-K302 PolarHBondContact OE2-NZ 3.01Å; R300-K302 PolarHBondContact O-N 3.14Å
303	R	94.2	Very high	94.9	Very high	34 Å²	34	60.5 Å²	60.5	13%	0.128	29%	0.294	C	S	.	.			trans	-86	135.8	-176.7	-67.7	-177	-66.4	148.2	0.4	110.3	E278 R300 R306 E308	E278-R303 IonicContact OE1-CZ 3.67Å; E278-R303 IonicContact OE1-NH2 2.96Å; E278-R303 PolarHBondContact OE1-NH2 3.21Å; R300-R303 PolarHBondContact O-N 2.76Å; R300-R303 VanDerWaalsContact O-N 3.17Å; R303-R306 PolarHBondContact NH1-O 3.35Å; R303-E308 VanDerWaalsContact CA-OE2 3.31Å; R303-E308 WeakPolarHBondContact CA-OE2 3.42Å; R303-E308 HydrophobicContact CB-CB 4.4Å; R303-E308 HydrophobicContact CG-CB 4.26Å
304	K	92.6	Very high	95.1	Very high	191 Å²	191	58.9 Å²	58.9	83%	0.83	29%	0.286	S	S	*	.	S	Bend	trans	-82.3	-25.8	175.2	-62.1	175.8	-178.2	173.5	0	112.1	E308	K304-E308 PolarHBondContact N-OE2 3.07Å
305	S	93.3	Very high	95.2	Very high	42 Å²	42	55.7 Å²	55.7	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-138.5	148.1	178.7	173.7	0	0	0	0	110.2	T307 E308	S305-T307 PolarHBondContact O-N 3.15Å; S305-T307 VanDerWaalsContact O-N 3.14Å; S305-T307 PolarHBondContact OG-N 2.99Å; S305-T307 PolarHBondContact OG-OG1 3.49Å; S305-E308 WeakPolarHBondContact O-CB 3.39Å; S305-E308 PolarHBondContact O-N 3.48Å; S305-E308 VanDerWaalsContact O-N 3.12Å
306	R	93.2	Very high	95.1	Very high	122 Å²	122	57 Å²	57	46%	0.46	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.7	173.5	60.7	178.6	-176.8	161.7	6.3	114	M127 E129 R303	M127-R306 HydrophobicContact SD-CB 4.2Å; M127-R306 VanDerWaalsContact SD-CD 3.55Å; M127-R306 HydrophobicContact SD-CG 3.62Å; E129-R306 VanDerWaalsContact CD-NH2 3.32Å; E129-R306 IonicContact OE1-CZ 3.75Å; E129-R306 VanDerWaalsContact OE1-CZ 3.31Å; E129-R306 IonicContact OE1-NE 2.78Å; E129-R306 PolarHBondContact OE1-NE 3.47Å; E129-R306 IonicContact OE1-NH2 3.24Å; E129-R306 PolarHBondContact OE1-NH2 2.7Å; E129-R306 IonicContact OE2-CZ 3.42Å; E129-R306 IonicContact OE2-NE 3.17Å; E129-R306 IonicContact OE2-NH2 2.62Å; E129-R306 PolarHBondContact OE2-NH2 2.85Å; R303-R306 PolarHBondContact NH1-O 3.35Å
307	T	93.9	Very high	94.8	Very high	24 Å²	24	55.9 Å²	55.9	15%	0.147	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.1	177.2	56.8	0	0	0	0	114.6	M127 E129 C130 S305	M127-T307 HydrophobicContact CB-CG2 4.33Å; M127-T307 HydrophobicContact CE-CG2 4.02Å; M127-T307 HydrophobicContact SD-CG2 4.1Å; E129-T307 HydrophobicContact CB-CG2 3.71Å; C130-T307 WeakPolarHBondContact SG-CG2 3.41Å; S305-T307 PolarHBondContact O-N 3.15Å; S305-T307 VanDerWaalsContact O-N 3.14Å; S305-T307 PolarHBondContact OG-N 2.99Å; S305-T307 PolarHBondContact OG-OG1 3.49Å
308	E	96.1	Very high	94.5	Very high	68 Å²	68	51.7 Å²	51.7	32%	0.318	25%	0.251	S	S	.	.	S	Bend	trans	-68.4	148.6	174.5	-73.9	-176.3	162.5	0	0	110.9	R303 K304 S305 P362	R303-E308 VanDerWaalsContact CA-OE2 3.31Å; R303-E308 WeakPolarHBondContact CA-OE2 3.42Å; R303-E308 HydrophobicContact CB-CB 4.4Å; R303-E308 HydrophobicContact CG-CB 4.26Å; K304-E308 PolarHBondContact N-OE2 3.07Å; S305-E308 WeakPolarHBondContact O-CB 3.39Å; S305-E308 PolarHBondContact O-N 3.48Å; S305-E308 VanDerWaalsContact O-N 3.12Å; E308-P362 WeakPolarHBondContact O-CD 3.17Å
309	P	97.5	Very high	94.8	Very high	30 Å²	30	48.9 Å²	48.9	20%	0.195	23%	0.227	C	C	.	.			trans	-52.5	143	174.7	-24.1	32.3	0	0	0	112.3	R249 E359	R249-P309 HydrophobicContact CG-CG 4.19Å; P309-E359 HydrophobicContact CB-CB 4.1Å; P309-E359 HydrophobicContact CB-CG 4.47Å; P309-E359 VanDerWaalsContact CB-OE2 3.25Å; P309-E359 WeakPolarHBondContact CB-OE2 3.37Å
310	I	98.3	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.3	-177.9	-52.6	167.3	0	0	0	108.1	P279 I281 V295 E299 S312 E359 I360 P362	P279-I310 HydrophobicContact CG-CD1 3.64Å; I281-I310 HydrophobicContact CG2-CB 4.29Å; I281-I310 HydrophobicContact CG2-CG2 3.72Å; V295-I310 HydrophobicContact CG1-CG2 3.88Å; V295-I310 HydrophobicContact CG2-CD1 4.13Å; V295-I310 HydrophobicContact CG2-CG2 3.96Å; E299-I310 HydrophobicContact CG-CG2 4.1Å; I310-S312 PolarHBondContact O-N 3.46Å; I310-E359 CarbonylContact O-C 3.29Å; I310-E359 WeakPolarHBondContact O-CA 3.3Å; I310-I360 PolarHBondContact N-O 3.35Å; I310-I360 PolarHBondContact O-N 3.17Å; I310-P362 HydrophobicContact CD1-CG 3.72Å; I310-P362 HydrophobicContact CG1-CG 3.99Å
311	R	98.3	Very high	95.2	Very high	83 Å²	83	43.6 Å²	43.6	31%	0.313	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.1	175.5	-62.9	175.7	63.3	-179.2	-0.7	109.7	E299 W352 E359	E299-R311 VanDerWaalsContact OE1-CB 3.31Å; E299-R311 WeakPolarHBondContact OE1-CB 3.48Å; E299-R311 WeakPolarHBondContact OE1-CD 3.26Å; E299-R311 VanDerWaalsContact OE1-CG 3.26Å; E299-R311 WeakPolarHBondContact OE1-CG 3.41Å; E299-R311 PolarHBondContact OE1-N 2.92Å; R311-W352 HydrophobicContact CB-CH2 4.09Å; R311-W352 HydrophobicContact CB-CZ2 4.14Å; R311-W352 HydrophobicContact CG-CH2 4.08Å; R311-E359 HydrophobicContact CG-CG 4.45Å
312	S	98.4	Very high	95.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	18%	0.175	C	C	.	.			trans	-117	125.2	-178.2	-166.3	0	0	0	0	109.7	G282 I310 T314 W352 L358	G282-S312 PolarHBondContact N-OG 2.97Å; G282-S312 PolarHBondContact O-OG 3.32Å; I310-S312 PolarHBondContact O-N 3.46Å; S312-T314 VanDerWaalsContact C-N 3.26Å; S312-T314 WeakPolarHBondContact CB-O 3.44Å; S312-T314 PolarHBondContact O-N 3.28Å; S312-T314 PolarHBondContact OG-O 3.33Å; S312-W352 PolarHBondContact O-NE1 2.61Å; S312-L358 PolarHBondContact N-O 3.31Å
313	P	98.4	Very high	95.7	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.032	16%	0.156	C	C	.	.	S	Bend	trans	-52.7	-45.8	174.9	-27.8	32.8	0	0	0	112.6	G282 W352 Y433 I437 Y438	G282-P313 WeakPolarHBondContact O-CB 3.19Å; G282-P313 WeakPolarHBondContact O-CD 3.29Å; P313-W352 PolarHBondContact O-NE1 3.25Å; P313-Y433 WeakPolarHBondContact CB-OH 3.32Å; P313-Y433 PolarHBondContact O-OH 2.91Å; P313-I437 HydrophobicContact CB-CG2 4.39Å; P313-Y438 HydrophobicContact CB-CD1 3.71Å; P313-Y438 HydrophobicContact CB-CD2 4.27Å; P313-Y438 HydrophobicContact CB-CE1 4.2Å; P313-Y438 HydrophobicContact CB-CG 3.74Å; P313-Y438 HydrophobicContact CG-CD1 4.09Å; P313-Y438 HydrophobicContact CG-CD2 3.72Å; P313-Y438 HydrophobicContact CG-CE1 4.45Å; P313-Y438 HydrophobicContact CG-CE2 4.1Å; P313-Y438 HydrophobicContact CG-CG 3.7Å
314	T	98.5	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-131.7	171.1	178	72.8	0	0	0	0	111.8	G282 G283 F284 F290 S312 L345 S348 F349 L358	G282-T314 WeakPolarHBondContact CA-O 3.44Å; G282-T314 PolarHBondContact O-N 2.97Å; G282-T314 PolarHBondContact O-OG1 3.1Å; G283-T314 WeakPolarHBondContact CA-OG1 3.48Å; G283-T314 PolarHBondContact N-OG1 2.69Å; G283-T314 PolarHBondContact O-OG1 3.47Å; F284-T314 HydrophobicContact CD1-CG2 3.7Å; F284-T314 HydrophobicContact CE1-CG2 4.49Å; F290-T314 WeakPolarHBondContact CD2-OG1 3.4Å; F290-T314 WeakPolarHBondContact CE2-OG1 3.46Å; S312-T314 VanDerWaalsContact C-N 3.26Å; S312-T314 WeakPolarHBondContact CB-O 3.44Å; S312-T314 PolarHBondContact O-N 3.28Å; S312-T314 PolarHBondContact OG-O 3.33Å; T314-L345 HydrophobicContact CG2-CD2 3.67Å; T314-S348 VanDerWaalsContact CA-OG 3.31Å; T314-S348 WeakPolarHBondContact CA-OG 3.33Å; T314-F349 HydrophobicContact CG2-CE1 4.37Å; T314-L358 VanDerWaalsContact C-CD2 3.44Å
315	M	97.4	Very high	96.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	15%	0.146	C	C	.	.			trans	-117.9	153.7	170.7	52.8	167.5	176.2	0	0	110.4	F290 G317 F320 N344 L347 S348 L358	F290-M315 VanDerWaalsContact CD2-O 3.32Å; F290-M315 WeakPolarHBondContact CD2-O 3.42Å; F290-M315 WeakPolarHBondContact CE2-O 3.47Å; M315-G317 PolarHBondContact O-N 2.83Å; M315-F320 HydrophobicContact SD-CD1 4.1Å; M315-F320 HydrophobicContact SD-CE1 4.5Å; M315-F320 HydrophobicContact SD-CG 4.34Å; M315-N344 PolarHBondContact O-ND2 3.3Å; M315-L347 HydrophobicContact CE-CB 3.54Å; M315-L347 HydrophobicContact CE-CD2 3.45Å; M315-L347 VanDerWaalsContact CE-CD2 3.45Å; M315-L347 HydrophobicContact CE-CG 3.63Å; M315-S348 WeakPolarHBondContact CG-OG 3.34Å; M315-S348 PolarHBondContact N-OG 3.03Å; M315-S348 VanDerWaalsContact N-OG 3.09Å; M315-L358 HydrophobicContact CB-CD1 4.16Å; M315-L358 HydrophobicContact CB-CD2 3.96Å; M315-L358 HydrophobicContact CG-CD1 4.33Å; M315-L358 HydrophobicContact CG-CD2 4.05Å; M315-L358 HydrophobicContact SD-CD1 4.38Å
316	A	93.4	Very high	96.5	Very high	32 Å²	32	25.2 Å²	25.2	26%	0.264	14%	0.135	S	C	.	.			trans	-60.4	-35.2	170.9	0	0	0	0	0	111.1	I262 F290 W292 N344	I262-A316 HydrophobicContact CD1-CB 3.62Å; F290-A316 HydrophobicContact CE1-CB 4.11Å; F290-A316 HydrophobicContact CE2-CB 4.29Å; F290-A316 VanDerWaalsContact CE2-N 3.29Å; F290-A316 HydrophobicContact CZ-CB 3.89Å; W292-A316 HydrophobicContact CH2-CB 4.39Å; W292-A316 HydrophobicContact CZ2-CB 4.12Å; A316-N344 WeakPolarHBondContact O-CB 3.39Å; A316-N344 PolarHBondContact O-ND2 3.09Å
317	G	87.2	Confident	96.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	11%	0.113	C	C	.	.	S	Bend	trans	104.6	-25.5	169.9	0	0	0	0	0	115.2	R217 M315	R217-G317 PolarHBondContact NH1-O 3.35Å; M315-G317 PolarHBondContact O-N 2.83Å
318	G	86.6	Confident	96.9	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	13%	0.131	C	C	.	.	S	Bend	trans	-66.1	-37.7	-178.5	0	0	0	0	0	114.7	R217 D233	R217-G318 PolarHBondContact NH2-O 2.95Å; D233-G318 WeakPolarHBondContact OD2-CA 3.27Å
319	L	98.1	Very high	97	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.14	C	C	.	.	S	Bend	trans	-133.6	114	-166.1	-63.5	87.6	0	0	0	110.5	F231 L232 C259 P260 I262 V366	F231-L319 WeakPolarHBondContact O-CA 3.39Å; L232-L319 HydrophobicContact CD2-CB 4.29Å; L232-L319 HydrophobicContact CD2-CD2 3.7Å; L232-L319 HydrophobicContact CD2-CG 3.93Å; C259-L319 PolarHBondContact SG-O 3.46Å; P260-L319 HydrophobicContact CG-CB 3.78Å; P260-L319 HydrophobicContact CG-CD2 4.19Å; I262-L319 HydrophobicContact CD1-CB 4.34Å; I262-L319 HydrophobicContact CD1-CD1 3.98Å; I262-L319 HydrophobicContact CG1-CB 4.42Å; I262-L319 HydrophobicContact CG1-CD1 4.28Å; L319-V366 HydrophobicContact CD2-CB 3.6Å; L319-V366 HydrophobicContact CD2-CG1 3.37Å; L319-V366 HydrophobicContact CD2-CG2 4.37Å
320	F	98.8	Very high	97.1	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	157.8	174.6	66.6	-83.1	0	0	0	112.2	T230 F231 I257 V258 M315 V322 Y333 L347	T230-F320 CarbonylContact C-O 3.56Å; T230-F320 WeakPolarHBondContact CA-O 3.46Å; F231-F320 HydrophobicContact CB-CD1 4.24Å; F231-F320 HydrophobicContact CB-CE1 4.01Å; F231-F320 HydrophobicContact CB-CZ 4.43Å; F231-F320 HydrophobicContact CD2-CD1 4.28Å; F231-F320 HydrophobicContact CD2-CD2 4.03Å; F231-F320 AromaticContact CD2-CE1 3.69Å; F231-F320 HydrophobicContact CD2-CE1 3.69Å; F231-F320 AromaticContact CD2-CE2 3.42Å; F231-F320 HydrophobicContact CD2-CE2 3.42Å; F231-F320 VanDerWaalsContact CD2-CE2 3.42Å; F231-F320 HydrophobicContact CD2-CG 4.44Å; F231-F320 AromaticContact CD2-CZ 3.23Å; F231-F320 HydrophobicContact CD2-CZ 3.23Å; F231-F320 HydrophobicContact CE2-CE1 4.46Å; F231-F320 AromaticContact CE2-CE2 3.7Å; F231-F320 HydrophobicContact CE2-CE2 3.7Å; F231-F320 AromaticContact CE2-CZ 3.61Å; F231-F320 HydrophobicContact CE2-CZ 3.61Å; F231-F320 HydrophobicContact CG-CE1 4.04Å; F231-F320 AromaticContact CG-CZ 3.99Å; F231-F320 HydrophobicContact CG-CZ 3.99Å; F231-F320 PolarHBondContact N-O 2.91Å; F231-F320 PolarHBondContact O-N 3.25Å; I257-F320 HydrophobicContact CG2-CB 3.92Å; I257-F320 HydrophobicContact CG2-CD2 3.61Å; I257-F320 HydrophobicContact CG2-CE2 4.45Å; I257-F320 HydrophobicContact CG2-CG 4.06Å; V258-F320 CarbonylContact O-C 3.55Å; V258-F320 WeakPolarHBondContact O-CA 3.27Å; M315-F320 HydrophobicContact SD-CD1 4.1Å; M315-F320 HydrophobicContact SD-CE1 4.5Å; M315-F320 HydrophobicContact SD-CG 4.34Å; F320-V322 HydrophobicContact CD2-CB 4.29Å; F320-V322 HydrophobicContact CD2-CG1 4.13Å; F320-V322 HydrophobicContact CE2-CB 4.32Å; F320-V322 HydrophobicContact CE2-CG1 3.76Å; F320-Y333 WeakPolarHBondContact CE1-OH 3.41Å; F320-Y333 HydrophobicContact CZ-CE2 4.46Å; F320-Y333 WeakPolarHBondContact CZ-OH 3.42Å; F320-L347 HydrophobicContact CE2-CD2 4.36Å; F320-L347 HydrophobicContact CZ-CD2 4.16Å
321	A	98.9	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.4	171	0	0	0	0	0	110.6	V228 L229 T230 L246 I250 V258	V228-A321 HydrophobicContact CG1-CB 3.97Å; L229-A321 CarbonylContact O-C 3.51Å; L229-A321 VanDerWaalsContact O-CA 3.28Å; L229-A321 WeakPolarHBondContact O-CA 3.38Å; T230-A321 HydrophobicContact CG2-CB 4.41Å; L246-A321 HydrophobicContact CB-CB 4.03Å; L246-A321 HydrophobicContact CD1-CB 4.19Å; I250-A321 HydrophobicContact CD1-CB 3.62Å; V258-A321 PolarHBondContact N-O 3.22Å; V258-A321 PolarHBondContact O-N 3.19Å
322	V	98.8	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	143	179.1	61.9	0	0	0	0	110.8	V228 L229 F231 I257 F320 K324 F326 F327	V228-V322 WeakPolarHBondContact CA-O 3.07Å; V228-V322 WeakPolarHBondContact CG1-O 3.4Å; L229-V322 HydrophobicContact CB-CG1 4.17Å; L229-V322 PolarHBondContact N-O 3.06Å; L229-V322 PolarHBondContact O-N 2.88Å; F231-V322 HydrophobicContact CE2-CG1 4.3Å; I257-V322 HydrophobicContact CD1-CB 4.39Å; I257-V322 HydrophobicContact CD1-CG2 4.05Å; I257-V322 HydrophobicContact CG1-CB 4.11Å; I257-V322 HydrophobicContact CG1-CG2 3.73Å; F320-V322 HydrophobicContact CD2-CB 4.29Å; F320-V322 HydrophobicContact CD2-CG1 4.13Å; F320-V322 HydrophobicContact CE2-CB 4.32Å; F320-V322 HydrophobicContact CE2-CG1 3.76Å; V322-K324 PolarHBondContact O-N 3.33Å; V322-F326 HydrophobicContact CG2-CD1 3.94Å; V322-F327 HydrophobicContact CG1-CB 3.85Å; V322-F327 HydrophobicContact CG1-CD2 3.99Å; V322-F327 HydrophobicContact CG1-CG 4.04Å; V322-F327 HydrophobicContact CG2-CB 4.05Å
323	S	98.8	Very high	96.8	Very high	19 Å²	19	23.4 Å²	23.4	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129.8	169.6	171.4	0	0	0	0	110.1	A325 F326 F327	S323-A325 VanDerWaalsContact C-N 3.3Å; S323-A325 PolarHBondContact O-N 3.27Å; S323-F326 PolarHBondContact O-N 2.79Å; S323-F326 VanDerWaalsContact O-N 3.12Å; S323-F327 PolarHBondContact O-N 3.49Å
324	K	98.7	Very high	96.7	Very high	47 Å²	47	23.4 Å²	23.4	20%	0.204	13%	0.133	C	C	.	.	H	α-helix	trans	-56	-46.5	179.5	-179.8	177.8	177.2	179.7	0	111.4	A224 D227 L229 V322 F326 F327 E328	A224-K324 PolarHBondContact O-NZ 3.42Å; D227-K324 PolarHBondContact O-N 2.92Å; L229-K324 HydrophobicContact CD1-CB 4.35Å; L229-K324 HydrophobicContact CD1-CG 4.23Å; L229-K324 HydrophobicContact CD2-CB 4.1Å; L229-K324 HydrophobicContact CD2-CD 4.24Å; L229-K324 HydrophobicContact CD2-CG 4.11Å; L229-K324 HydrophobicContact CG-CB 3.91Å; L229-K324 HydrophobicContact CG-CG 4.19Å; V322-K324 PolarHBondContact O-N 3.33Å; K324-F326 VanDerWaalsContact C-N 3.31Å; K324-F326 PolarHBondContact O-N 2.76Å; K324-F327 PolarHBondContact O-N 3.34Å; K324-E328 WeakPolarHBondContact CE-OE1 3.44Å; K324-E328 WeakPolarHBondContact O-CG 3.5Å; K324-E328 PolarHBondContact O-N 2.75Å
325	A	98.6	Very high	96.4	Very high	67 Å²	67	28.4 Å²	28.4	55%	0.554	16%	0.157	S	C	*	.	H	α-helix	trans	-62	-39.2	178.9	0	0	0	0	0	112.1	S323 Y329	S323-A325 VanDerWaalsContact C-N 3.3Å; S323-A325 PolarHBondContact O-N 3.27Å; A325-Y329 VanDerWaalsContact O-CB 3.3Å; A325-Y329 WeakPolarHBondContact O-CB 3.35Å; A325-Y329 PolarHBondContact O-N 3.14Å
326	F	98.6	Very high	96.2	Very high	14 Å²	14	29.6 Å²	29.6	6%	0.061	17%	0.17	C	C	.	.	H	α-helix	trans	-70.4	-39.6	176.7	-175.7	-121.1	0	0	0	112.4	A254 S255 I257 V322 S323 K324 E328 Y329 L330	A254-F326 VanDerWaalsContact O-CB 3.25Å; A254-F326 WeakPolarHBondContact O-CB 3.46Å; A254-F326 WeakPolarHBondContact O-CD1 3.37Å; A254-F326 WeakPolarHBondContact O-CG 3.2Å; S255-F326 VanDerWaalsContact C-CE1 3.44Å; S255-F326 VanDerWaalsContact O-CE1 3.27Å; S255-F326 WeakPolarHBondContact O-CE1 3.38Å; S255-F326 WeakPolarHBondContact O-CZ 3.38Å; I257-F326 HydrophobicContact CG1-CE1 4.49Å; V322-F326 HydrophobicContact CG2-CD1 3.94Å; S323-F326 PolarHBondContact O-N 2.79Å; S323-F326 VanDerWaalsContact O-N 3.12Å; K324-F326 VanDerWaalsContact C-N 3.31Å; K324-F326 PolarHBondContact O-N 2.76Å; F326-E328 VanDerWaalsContact C-N 3.33Å; F326-E328 PolarHBondContact O-N 3.07Å; F326-Y329 AromaticContact CD2-CD1 3.9Å; F326-Y329 HydrophobicContact CD2-CD1 3.9Å; F326-Y329 AromaticContact CE2-CD1 3.92Å; F326-Y329 HydrophobicContact CE2-CD1 3.92Å; F326-Y329 HydrophobicContact CE2-CE1 4.29Å; F326-Y329 WeakPolarHBondContact O-CB 3.32Å; F326-Y329 PolarHBondContact O-N 3.44Å; F326-L330 HydrophobicContact CD1-CD1 3.99Å; F326-L330 HydrophobicContact CD1-CG 4.48Å; F326-L330 HydrophobicContact CD2-CG 4.31Å; F326-L330 HydrophobicContact CE1-CD1 3.39Å; F326-L330 HydrophobicContact CE1-CG 4.07Å; F326-L330 HydrophobicContact CE2-CD1 4.1Å; F326-L330 HydrophobicContact CE2-CD2 4.06Å; F326-L330 HydrophobicContact CE2-CG 3.87Å; F326-L330 HydrophobicContact CZ-CD1 3.45Å; F326-L330 VanDerWaalsContact CZ-CD1 3.45Å; F326-L330 HydrophobicContact CZ-CD2 3.98Å; F326-L330 HydrophobicContact CZ-CG 3.74Å; F326-L330 WeakPolarHBondContact O-CG 3.3Å; F326-L330 PolarHBondContact O-N 2.96Å
327	F	98.4	Very high	96.2	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-42.1	175.7	-172.6	-115.9	0	0	0	111.7	L218 A221 L229 F231 V322 S323 K324 G331 T332 Y333 L347	L218-F327 HydrophobicContact CD2-CE1 3.89Å; L218-F327 HydrophobicContact CD2-CZ 4.06Å; A221-F327 HydrophobicContact CB-CE1 4.28Å; L229-F327 HydrophobicContact CD1-CB 4.34Å; L229-F327 HydrophobicContact CD1-CD1 3.66Å; L229-F327 HydrophobicContact CD1-CE1 4.32Å; L229-F327 HydrophobicContact CD1-CG 4.24Å; F231-F327 HydrophobicContact CZ-CE1 4.27Å; F231-F327 HydrophobicContact CZ-CZ 4.4Å; V322-F327 HydrophobicContact CG1-CB 3.85Å; V322-F327 HydrophobicContact CG1-CD2 3.99Å; V322-F327 HydrophobicContact CG1-CG 4.04Å; V322-F327 HydrophobicContact CG2-CB 4.05Å; S323-F327 PolarHBondContact O-N 3.49Å; K324-F327 PolarHBondContact O-N 3.34Å; F327-G331 PolarHBondContact O-N 2.75Å; F327-T332 HydrophobicContact CD1-CG2 3.75Å; F327-T332 HydrophobicContact CE1-CG2 3.75Å; F327-T332 HydrophobicContact CG-CG2 4.49Å; F327-T332 HydrophobicContact CZ-CG2 4.48Å; F327-T332 VanDerWaalsContact O-CA 3.32Å; F327-T332 WeakPolarHBondContact O-CA 3.34Å; F327-T332 PolarHBondContact O-N 3.04Å; F327-Y333 HydrophobicContact CE2-CD2 4.39Å; F327-Y333 HydrophobicContact CE2-CE2 4.39Å; F327-Y333 AromaticContact CZ-CD2 3.74Å; F327-Y333 HydrophobicContact CZ-CD2 3.74Å; F327-Y333 AromaticContact CZ-CE2 3.96Å; F327-Y333 HydrophobicContact CZ-CE2 3.96Å; F327-Y333 HydrophobicContact CZ-CG 4.41Å; F327-L347 HydrophobicContact CE2-CD2 4.17Å
328	E	98.2	Very high	96.3	Very high	109 Å²	109	31.8 Å²	31.8	51%	0.509	17%	0.174	S	C	.	.	H	α-helix	trans	-66.4	-42.7	173.5	-70.8	173.1	176	0	0	112.2	K324 F326 L330 G331 T332	K324-E328 WeakPolarHBondContact CE-OE1 3.44Å; K324-E328 WeakPolarHBondContact O-CG 3.5Å; K324-E328 PolarHBondContact O-N 2.75Å; F326-E328 VanDerWaalsContact C-N 3.33Å; F326-E328 PolarHBondContact O-N 3.07Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.83Å; E328-G331 PolarHBondContact O-N 3.19Å; E328-T332 HydrophobicContact CG-CG2 4.39Å
329	Y	98.1	Very high	96.3	Very high	129 Å²	129	32.7 Å²	32.7	51%	0.506	18%	0.178	S	C	.	.	H	α-helix	trans	-58.3	-42.1	175.8	168.2	-99.5	0	0	0	112.5	A325 F326 G331 L425	A325-Y329 VanDerWaalsContact O-CB 3.3Å; A325-Y329 WeakPolarHBondContact O-CB 3.35Å; A325-Y329 PolarHBondContact O-N 3.14Å; F326-Y329 AromaticContact CD2-CD1 3.9Å; F326-Y329 HydrophobicContact CD2-CD1 3.9Å; F326-Y329 AromaticContact CE2-CD1 3.92Å; F326-Y329 HydrophobicContact CE2-CD1 3.92Å; F326-Y329 HydrophobicContact CE2-CE1 4.29Å; F326-Y329 WeakPolarHBondContact O-CB 3.32Å; F326-Y329 PolarHBondContact O-N 3.44Å; Y329-G331 PolarHBondContact O-N 3.22Å; Y329-G331 VanDerWaalsContact O-N 3.17Å; Y329-L425 HydrophobicContact CD1-CD2 4.48Å; Y329-L425 HydrophobicContact CD2-CD2 4.37Å; Y329-L425 HydrophobicContact CE1-CD2 3.86Å; Y329-L425 HydrophobicContact CE2-CD2 3.73Å; Y329-L425 VanDerWaalsContact CZ-CD2 3.44Å
330	L	97.8	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	1.2	174.9	-71.6	-176.9	0	0	0	113.5	F326 E328 R350 V351 C354 L425	F326-L330 HydrophobicContact CD1-CD1 3.99Å; F326-L330 HydrophobicContact CD1-CG 4.48Å; F326-L330 HydrophobicContact CD2-CG 4.31Å; F326-L330 HydrophobicContact CE1-CD1 3.39Å; F326-L330 HydrophobicContact CE1-CG 4.07Å; F326-L330 HydrophobicContact CE2-CD1 4.1Å; F326-L330 HydrophobicContact CE2-CD2 4.06Å; F326-L330 HydrophobicContact CE2-CG 3.87Å; F326-L330 HydrophobicContact CZ-CD1 3.45Å; F326-L330 VanDerWaalsContact CZ-CD1 3.45Å; F326-L330 HydrophobicContact CZ-CD2 3.98Å; F326-L330 HydrophobicContact CZ-CG 3.74Å; F326-L330 WeakPolarHBondContact O-CG 3.3Å; F326-L330 PolarHBondContact O-N 2.96Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.83Å; L330-R350 WeakPolarHBondContact O-CD 3.47Å; L330-R350 PolarHBondContact O-NE 2.95Å; L330-R350 VanDerWaalsContact O-NE 3.14Å; L330-V351 HydrophobicContact CD1-CG2 3.68Å; L330-C354 HydrophobicContact CD2-CB 4.08Å; L330-L425 HydrophobicContact CD2-CD1 4.34Å
331	G	97.2	Very high	95.4	Very high	14 Å²	14	35.9 Å²	35.9	14%	0.144	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	29.1	-179.5	0	0	0	0	0	113.9	F327 E328 Y329 Y333 R418	F327-G331 PolarHBondContact O-N 2.75Å; E328-G331 PolarHBondContact O-N 3.19Å; Y329-G331 PolarHBondContact O-N 3.22Å; Y329-G331 VanDerWaalsContact O-N 3.17Å; G331-Y333 PolarHBondContact O-N 3.44Å; G331-R418 PolarHBondContact O-NH1 3.41Å
332	T	96.3	Very high	95.2	Very high	37 Å²	37	36 Å²	36	23%	0.227	19%	0.191	C	C	.	.			trans	51.9	-119.5	174.4	67.8	0	0	0	0	113.4	L218 F327 E328 R350	L218-T332 HydrophobicContact CD2-CG2 4.34Å; F327-T332 HydrophobicContact CD1-CG2 3.75Å; F327-T332 HydrophobicContact CE1-CG2 3.75Å; F327-T332 HydrophobicContact CG-CG2 4.49Å; F327-T332 HydrophobicContact CZ-CG2 4.48Å; F327-T332 VanDerWaalsContact O-CA 3.32Å; F327-T332 WeakPolarHBondContact O-CA 3.34Å; F327-T332 PolarHBondContact O-N 3.04Å; E328-T332 HydrophobicContact CG-CG2 4.39Å; T332-R350 PolarHBondContact O-NH2 2.75Å
333	Y	95.6	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-111.8	161.5	171.1	-81.8	-67.2	0	0	0	110.2	V214 L218 F320 F327 G331 M335 E343 L347 R418	V214-Y333 VanDerWaalsContact CG1-CB 3.49Å; V214-Y333 HydrophobicContact CG1-CD1 4.49Å; V214-Y333 HydrophobicContact CG1-CD2 4.19Å; V214-Y333 HydrophobicContact CG1-CG 3.86Å; L218-Y333 HydrophobicContact CD2-CD2 3.99Å; L218-Y333 HydrophobicContact CG-CD2 4.23Å; F320-Y333 WeakPolarHBondContact CE1-OH 3.41Å; F320-Y333 HydrophobicContact CZ-CE2 4.46Å; F320-Y333 WeakPolarHBondContact CZ-OH 3.42Å; F327-Y333 HydrophobicContact CE2-CD2 4.39Å; F327-Y333 HydrophobicContact CE2-CE2 4.39Å; F327-Y333 AromaticContact CZ-CD2 3.74Å; F327-Y333 HydrophobicContact CZ-CD2 3.74Å; F327-Y333 AromaticContact CZ-CE2 3.96Å; F327-Y333 HydrophobicContact CZ-CE2 3.96Å; F327-Y333 HydrophobicContact CZ-CG 4.41Å; G331-Y333 PolarHBondContact O-N 3.44Å; Y333-M335 PolarHBondContact O-N 3.28Å; Y333-E343 HydrophobicContact CD1-CB 4.01Å; Y333-E343 HydrophobicContact CD1-CG 4.41Å; Y333-E343 HydrophobicContact CE1-CB 3.85Å; Y333-E343 HydrophobicContact CE1-CG 3.81Å; Y333-L347 HydrophobicContact CE1-CB 4.09Å; Y333-L347 HydrophobicContact CE1-CD2 3.9Å; Y333-R418 PolarHBondContact O-NH1 3.47Å
334	D	95.9	Very high	94.9	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.027	19%	0.19	C	C	.	.			trans	-69.7	108.9	167.6	-175.5	3	0	0	0	110.9	G336 M337 R387 R418	D334-G336 PolarHBondContact O-N 3.39Å; D334-G336 VanDerWaalsContact O-N 3.15Å; D334-G336 PolarHBondContact OD1-N 3Å; D334-M337 HydrophobicContact CB-CE 4.39Å; D334-M337 HydrophobicContact CB-CG 4.05Å; D334-M337 HydrophobicContact CB-SD 4.26Å; D334-M337 WeakPolarHBondContact O-CB 3.17Å; D334-M337 PolarHBondContact O-N 2.66Å; D334-M337 VanDerWaalsContact O-N 3.07Å; D334-R387 VanDerWaalsContact CG-NH2 3.32Å; D334-R387 IonicContact OD1-CZ 3.59Å; D334-R387 IonicContact OD1-NE 2.8Å; D334-R387 IonicContact OD1-NH2 2.6Å; D334-R387 PolarHBondContact OD1-NH2 3.23Å; D334-R387 IonicContact OD2-CZ 3.64Å; D334-R387 VanDerWaalsContact OD2-CZ 3.24Å; D334-R387 IonicContact OD2-NE 2.85Å; D334-R387 PolarHBondContact OD2-NE 3.38Å; D334-R387 IonicContact OD2-NH2 3.17Å; D334-R387 PolarHBondContact OD2-NH2 2.82Å; D334-R418 HydrophobicContact CB-CG 4.34Å
335	M	92.9	Very high	94.9	Very high	105 Å²	105	34.1 Å²	34.1	52%	0.517	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.3	177.8	-69.4	-64.8	-64.5	0	0	113.9	R215 L218 Y333 M337	R215-M335 HydrophobicContact CG-CE 3.78Å; R215-M335 HydrophobicContact CG-SD 4.28Å; L218-M335 HydrophobicContact CD1-CG 4.32Å; L218-M335 HydrophobicContact CD1-SD 3.07Å; L218-M335 WeakPolarHBondContact CD1-SD 3.37Å; L218-M335 HydrophobicContact CG-SD 4.44Å; Y333-M335 PolarHBondContact O-N 3.28Å; M335-M337 VanDerWaalsContact C-N 3.27Å
336	G	93.7	Very high	94.9	Very high	27 Å²	27	31 Å²	31	28%	0.278	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.6	175.5	0	0	0	0	0	113.9	D334	D334-G336 PolarHBondContact O-N 3.39Å; D334-G336 VanDerWaalsContact O-N 3.15Å; D334-G336 PolarHBondContact OD1-N 3Å
337	M	93.9	Very high	94.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.152	C	C	.	.			trans	-80.9	131.4	174.2	-68.9	-175.1	169.7	0	0	111.5	V214 D334 M335 E343 E346 N384 R387 A388	V214-M337 HydrophobicContact CG2-CB 4.27Å; D334-M337 HydrophobicContact CB-CE 4.39Å; D334-M337 HydrophobicContact CB-CG 4.05Å; D334-M337 HydrophobicContact CB-SD 4.26Å; D334-M337 WeakPolarHBondContact O-CB 3.17Å; D334-M337 PolarHBondContact O-N 2.66Å; D334-M337 VanDerWaalsContact O-N 3.07Å; M335-M337 VanDerWaalsContact C-N 3.27Å; M337-E343 VanDerWaalsContact SD-CA 3.5Å; M337-E343 HydrophobicContact SD-CB 3.67Å; M337-E346 HydrophobicContact CE-CB 3.61Å; M337-E346 HydrophobicContact CE-CG 3.58Å; M337-N384 VanDerWaalsContact CA-OD1 3.31Å; M337-N384 WeakPolarHBondContact CA-OD1 3.43Å; M337-N384 HydrophobicContact CB-CB 4.39Å; M337-N384 HydrophobicContact CE-CB 4.44Å; M337-N384 WeakPolarHBondContact CE-O 3.16Å; M337-N384 HydrophobicContact CG-CB 4.03Å; M337-N384 HydrophobicContact SD-CB 4.37Å; M337-R387 HydrophobicContact CE-CB 4.4Å; M337-A388 HydrophobicContact CE-CB 4.24Å
338	E	88.6	Confident	94.9	Very high	78 Å²	78	30.2 Å²	30.2	36%	0.364	15%	0.152	S	C	.	.			trans	-109.2	141.8	-174.6	-64.1	-165.2	155.4	0	0	112.6	W340 N380 N384	E338-W340 VanDerWaalsContact C-N 3.34Å; E338-W340 PolarHBondContact O-N 3.28Å; E338-N380 HydrophobicContact CB-CB 3.94Å; E338-N380 WeakPolarHBondContact O-CB 3.12Å; E338-N380 PolarHBondContact OE2-ND2 3.47Å; E338-N384 PolarHBondContact N-ND2 2.92Å; E338-N384 PolarHBondContact N-OD1 2.95Å; E338-N384 PolarHBondContact O-ND2 3.29Å
339	V	85.6	Confident	94.9	Very high	30 Å²	30	25.1 Å²	25.1	18%	0.182	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	60	-76.7	170.8	-172.1	0	0	0	0	114.9	L213 Y376 N380	L213-V339 WeakPolarHBondContact CB-O 3.32Å; L213-V339 PolarHBondContact N-O 3.47Å; V339-Y376 HydrophobicContact CG1-CD2 4.47Å; V339-Y376 HydrophobicContact CG1-CE2 4.23Å; V339-N380 WeakPolarHBondContact CG2-OD1 3.17Å
340	W	90.1	Very high	94.9	Very high	69 Å²	69	19 Å²	19	26%	0.261	10%	0.104	S	C	.	.	S	Bend	trans	-161.8	141.9	-173.2	-178.1	89.8	0	0	0	112	E338 Y376 R378 F381	E338-W340 VanDerWaalsContact C-N 3.34Å; E338-W340 PolarHBondContact O-N 3.28Å; W340-Y376 HydrophobicContact CB-CE2 4.15Å; W340-R378 HydrophobicContact CB-CG 4.43Å; W340-R378 HydrophobicContact CD2-CG 4.2Å; W340-R378 HydrophobicContact CE3-CB 4.07Å; W340-R378 VanDerWaalsContact CE3-CD 3.45Å; W340-R378 HydrophobicContact CE3-CG 3.86Å; W340-R378 HydrophobicContact CG-CG 4.46Å; W340-F381 HydrophobicContact CE3-CD2 4.18Å; W340-F381 HydrophobicContact CH2-CD2 4.43Å; W340-F381 AromaticContact CZ3-CD2 3.59Å; W340-F381 HydrophobicContact CZ3-CD2 3.59Å; W340-F381 HydrophobicContact CZ3-CE2 4.24Å; W340-F381 HydrophobicContact CZ3-CG 4.41Å
341	G	89.4	Confident	95	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	103	145.8	165.5	0	0	0	0	0	113.7	E343 N384	G341-E343 WeakPolarHBondContact CA-OE2 3.4Å; G341-E343 PolarHBondContact N-OE2 3.36Å; G341-E343 PolarHBondContact O-N 2.74Å; G341-N384 WeakPolarHBondContact O-CB 3.35Å; G341-N384 PolarHBondContact O-ND2 2.91Å
342	G	93.8	Very high	95	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.021	10%	0.098	C	C	.	.	S	Bend	trans	84.2	-25.6	178.9	0	0	0	0	0	114.4	N344 L345 E346	G342-N344 PolarHBondContact O-N 3.18Å; G342-L345 PolarHBondContact O-N 3.38Å; G342-E346 WeakPolarHBondContact O-CB 3.44Å; G342-E346 PolarHBondContact O-N 3.19Å
343	E	95.4	Very high	95.2	Very high	7 Å²	7	17 Å²	17	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-65.4	-30.3	-177.2	80.4	-71.4	171.1	0	0	113	V214 Y333 M337 G341 L347	V214-E343 HydrophobicContact CG2-CB 3.68Å; V214-E343 HydrophobicContact CG2-CG 3.8Å; Y333-E343 HydrophobicContact CD1-CB 4.01Å; Y333-E343 HydrophobicContact CD1-CG 4.41Å; Y333-E343 HydrophobicContact CE1-CB 3.85Å; Y333-E343 HydrophobicContact CE1-CG 3.81Å; M337-E343 VanDerWaalsContact SD-CA 3.5Å; M337-E343 HydrophobicContact SD-CB 3.67Å; G341-E343 WeakPolarHBondContact CA-OE2 3.4Å; G341-E343 PolarHBondContact N-OE2 3.36Å; G341-E343 PolarHBondContact O-N 2.74Å; E343-L347 WeakPolarHBondContact O-CB 3.36Å; E343-L347 PolarHBondContact O-N 2.91Å
344	N	96.5	Very high	95.3	Very high	17 Å²	17	17.6 Å²	17.6	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-45.5	179.2	63.7	-29.9	0	0	0	111.3	M315 A316 G342 S348	M315-N344 PolarHBondContact O-ND2 3.3Å; A316-N344 WeakPolarHBondContact O-CB 3.39Å; A316-N344 PolarHBondContact O-ND2 3.09Å; G342-N344 PolarHBondContact O-N 3.18Å; N344-S348 WeakPolarHBondContact O-CB 3.01Å; N344-S348 PolarHBondContact O-N 2.76Å; N344-S348 VanDerWaalsContact O-N 3.07Å; N344-S348 PolarHBondContact O-OG 3.11Å
345	L	98.3	Very high	95.4	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-42.9	174.8	-63.4	-173.8	0	0	0	111.5	F284 L288 T314 G342 L347 S348 F349	F284-L345 HydrophobicContact CB-CD1 4.18Å; F284-L345 HydrophobicContact CB-CD2 3.86Å; L288-L345 HydrophobicContact CB-CD1 4.02Å; L288-L345 WeakPolarHBondContact O-CD1 3.35Å; T314-L345 HydrophobicContact CG2-CD2 3.67Å; G342-L345 PolarHBondContact O-N 3.38Å; L345-L347 PolarHBondContact O-N 3.05Å; L345-S348 WeakPolarHBondContact O-CB 3.4Å; L345-S348 PolarHBondContact O-N 3.09Å; L345-F349 HydrophobicContact CB-CE2 4.23Å; L345-F349 HydrophobicContact CB-CZ 4.24Å; L345-F349 WeakPolarHBondContact O-CD2 3.32Å; L345-F349 WeakPolarHBondContact O-CG 3.39Å; L345-F349 PolarHBondContact O-N 3.49Å
346	E	98.5	Very high	95.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-59.2	-49.2	179.3	-164.7	-86.5	161.6	0	0	112.4	M337 G342 S348 F349 R350 A388 W392	M337-E346 HydrophobicContact CE-CB 3.61Å; M337-E346 HydrophobicContact CE-CG 3.58Å; G342-E346 WeakPolarHBondContact O-CB 3.44Å; G342-E346 PolarHBondContact O-N 3.19Å; E346-S348 VanDerWaalsContact C-N 3.33Å; E346-S348 PolarHBondContact O-N 3.16Å; E346-F349 PolarHBondContact O-N 2.93Å; E346-R350 WeakPolarHBondContact O-CB 3.24Å; E346-R350 PolarHBondContact O-N 3.32Å; E346-R350 IonicContact OE1-CZ 3.81Å; E346-R350 IonicContact OE1-NH1 2.73Å; E346-R350 PolarHBondContact OE1-NH1 2.9Å; E346-R350 IonicContact OE1-NH2 2.98Å; E346-R350 IonicContact OE2-CZ 3.64Å; E346-R350 IonicContact OE2-NH1 3.03Å; E346-R350 PolarHBondContact OE2-NH1 3.48Å; E346-R350 IonicContact OE2-NH2 3.22Å; E346-R350 PolarHBondContact OE2-NH2 2.71Å; E346-A388 HydrophobicContact CB-CB 3.73Å; E346-A388 HydrophobicContact CG-CB 3.87Å; E346-W392 PolarHBondContact OE1-NE1 3.07Å
347	L	98.3	Very high	95.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.7	-36.6	176.5	-178.8	61.1	0	0	0	111.2	I257 M315 F320 F327 Y333 E343 L345 R350 V351	I257-L347 HydrophobicContact CD1-CD1 4.39Å; I257-L347 HydrophobicContact CD1-CD2 4.01Å; I257-L347 HydrophobicContact CD1-CG 4.23Å; M315-L347 HydrophobicContact CE-CB 3.54Å; M315-L347 HydrophobicContact CE-CD2 3.45Å; M315-L347 VanDerWaalsContact CE-CD2 3.45Å; M315-L347 HydrophobicContact CE-CG 3.63Å; F320-L347 HydrophobicContact CE2-CD2 4.36Å; F320-L347 HydrophobicContact CZ-CD2 4.16Å; F327-L347 HydrophobicContact CE2-CD2 4.17Å; Y333-L347 HydrophobicContact CE1-CB 4.09Å; Y333-L347 HydrophobicContact CE1-CD2 3.9Å; E343-L347 WeakPolarHBondContact O-CB 3.36Å; E343-L347 PolarHBondContact O-N 2.91Å; L345-L347 PolarHBondContact O-N 3.05Å; L347-R350 VanDerWaalsContact CD1-NH2 3.34Å; L347-R350 PolarHBondContact O-N 3.22Å; L347-V351 HydrophobicContact CD1-CG2 3.8Å; L347-V351 HydrophobicContact CG-CG2 4.06Å; L347-V351 WeakPolarHBondContact O-CB 3.36Å; L347-V351 WeakPolarHBondContact O-CG2 3.2Å; L347-V351 PolarHBondContact O-N 2.84Å
348	S	98.8	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-49.3	176.2	-60.4	0	0	0	0	112	T314 M315 N344 L345 E346 V351 W352	T314-S348 VanDerWaalsContact CA-OG 3.31Å; T314-S348 WeakPolarHBondContact CA-OG 3.33Å; M315-S348 WeakPolarHBondContact CG-OG 3.34Å; M315-S348 PolarHBondContact N-OG 3.03Å; M315-S348 VanDerWaalsContact N-OG 3.09Å; N344-S348 WeakPolarHBondContact O-CB 3.01Å; N344-S348 PolarHBondContact O-N 2.76Å; N344-S348 VanDerWaalsContact O-N 3.07Å; N344-S348 PolarHBondContact O-OG 3.11Å; L345-S348 WeakPolarHBondContact O-CB 3.4Å; L345-S348 PolarHBondContact O-N 3.09Å; E346-S348 VanDerWaalsContact C-N 3.33Å; E346-S348 PolarHBondContact O-N 3.16Å; S348-V351 PolarHBondContact O-N 2.58Å; S348-W352 PolarHBondContact O-N 3.12Å
349	F	98.8	Very high	96.5	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177.6	-63.3	-18.2	0	0	0	111.2	F284 T314 L345 E346 Q353 W392 M393 F430 Y433	F284-F349 AromaticContact CD1-CE1 3.9Å; F284-F349 HydrophobicContact CD1-CE1 3.9Å; F284-F349 HydrophobicContact CD1-CZ 4.1Å; F284-F349 HydrophobicContact CD2-CZ 4.38Å; F284-F349 AromaticContact CE1-CE1 3.61Å; F284-F349 HydrophobicContact CE1-CE1 3.61Å; F284-F349 AromaticContact CE1-CZ 3.93Å; F284-F349 HydrophobicContact CE1-CZ 3.93Å; F284-F349 HydrophobicContact CE2-CZ 4.25Å; F284-F349 HydrophobicContact CG-CZ 4.35Å; F284-F349 HydrophobicContact CZ-CE1 4.08Å; F284-F349 HydrophobicContact CZ-CZ 4.03Å; T314-F349 HydrophobicContact CG2-CE1 4.37Å; L345-F349 HydrophobicContact CB-CE2 4.23Å; L345-F349 HydrophobicContact CB-CZ 4.24Å; L345-F349 WeakPolarHBondContact O-CD2 3.32Å; L345-F349 WeakPolarHBondContact O-CG 3.39Å; L345-F349 PolarHBondContact O-N 3.49Å; E346-F349 PolarHBondContact O-N 2.93Å; F349-Q353 VanDerWaalsContact O-CB 3.24Å; F349-Q353 WeakPolarHBondContact O-CB 3.35Å; F349-Q353 VanDerWaalsContact O-CG 3.27Å; F349-Q353 WeakPolarHBondContact O-CG 3.12Å; F349-Q353 PolarHBondContact O-N 2.9Å; F349-Q353 PolarHBondContact O-NE2 2.91Å; F349-W392 HydrophobicContact CB-CB 3.88Å; F349-W392 HydrophobicContact CB-CG 4.1Å; F349-W392 HydrophobicContact CD2-CB 4Å; F349-W392 HydrophobicContact CG-CB 4.4Å; F349-M393 HydrophobicContact CE2-CG 4.23Å; F349-M393 HydrophobicContact CE2-SD 4.42Å; F349-F430 AromaticContact CD1-CE2 3.96Å; F349-F430 HydrophobicContact CD1-CE2 3.96Å; F349-F430 HydrophobicContact CD2-CE2 4.13Å; F349-F430 AromaticContact CE1-CE2 3.93Å; F349-F430 HydrophobicContact CE1-CE2 3.93Å; F349-F430 HydrophobicContact CE1-CZ 4.31Å; F349-F430 HydrophobicContact CE2-CE2 4.09Å; F349-F430 HydrophobicContact CG-CE2 4.08Å; F349-F430 AromaticContact CZ-CE2 3.99Å; F349-F430 HydrophobicContact CZ-CE2 3.99Å; F349-F430 HydrophobicContact CZ-CZ 4.16Å; F349-Y433 HydrophobicContact CD1-CE1 4.17Å; F349-Y433 HydrophobicContact CD1-CE2 4.14Å; F349-Y433 AromaticContact CD1-CZ 3.83Å; F349-Y433 HydrophobicContact CE1-CE1 4.1Å; F349-Y433 AromaticContact CE1-CZ 3.98Å
350	R	98.6	Very high	97.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.2	-51.8	177.5	175.1	164.2	59	-116.3	-12.1	111.9	L330 T332 E346 L347 W352 Q353 C354 W392	L330-R350 WeakPolarHBondContact O-CD 3.47Å; L330-R350 PolarHBondContact O-NE 2.95Å; L330-R350 VanDerWaalsContact O-NE 3.14Å; T332-R350 PolarHBondContact O-NH2 2.75Å; E346-R350 WeakPolarHBondContact O-CB 3.24Å; E346-R350 PolarHBondContact O-N 3.32Å; E346-R350 IonicContact OE1-CZ 3.81Å; E346-R350 IonicContact OE1-NH1 2.73Å; E346-R350 PolarHBondContact OE1-NH1 2.9Å; E346-R350 IonicContact OE1-NH2 2.98Å; E346-R350 IonicContact OE2-CZ 3.64Å; E346-R350 IonicContact OE2-NH1 3.03Å; E346-R350 PolarHBondContact OE2-NH1 3.48Å; E346-R350 IonicContact OE2-NH2 3.22Å; E346-R350 PolarHBondContact OE2-NH2 2.71Å; L347-R350 VanDerWaalsContact CD1-NH2 3.34Å; L347-R350 PolarHBondContact O-N 3.22Å; R350-W352 VanDerWaalsContact C-N 3.35Å; R350-W352 PolarHBondContact O-N 3.26Å; R350-Q353 PolarHBondContact O-N 3.21Å; R350-C354 WeakPolarHBondContact O-CB 3.32Å; R350-C354 PolarHBondContact O-N 3.01Å; R350-C354 PolarHBondContact O-SG 2.98Å; R350-W392 HydrophobicContact CB-CD2 4.36Å; R350-W392 HydrophobicContact CB-CE3 4.44Å; R350-W392 HydrophobicContact CB-CH2 3.65Å; R350-W392 HydrophobicContact CB-CZ2 3.52Å; R350-W392 HydrophobicContact CB-CZ3 4.1Å; R350-W392 HydrophobicContact CG-CH2 3.5Å; R350-W392 HydrophobicContact CG-CZ2 3.65Å; R350-W392 HydrophobicContact CG-CZ3 4.24Å
351	V	98.5	Very high	97.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56.4	-51.2	-175.9	168.5	0	0	0	0	110.3	I257 L330 L347 S348 G355 G356 S357 L358	I257-V351 HydrophobicContact CD1-CG2 3.44Å; I257-V351 VanDerWaalsContact CD1-CG2 3.44Å; I257-V351 HydrophobicContact CG1-CG1 4.41Å; I257-V351 HydrophobicContact CG1-CG2 4.07Å; L330-V351 HydrophobicContact CD1-CG2 3.68Å; L347-V351 HydrophobicContact CD1-CG2 3.8Å; L347-V351 HydrophobicContact CG-CG2 4.06Å; L347-V351 WeakPolarHBondContact O-CB 3.36Å; L347-V351 WeakPolarHBondContact O-CG2 3.2Å; L347-V351 PolarHBondContact O-N 2.84Å; S348-V351 PolarHBondContact O-N 2.58Å; V351-G355 PolarHBondContact O-N 2.81Å; V351-G356 WeakPolarHBondContact O-CA 3.48Å; V351-G356 PolarHBondContact O-N 2.62Å; V351-S357 WeakPolarHBondContact CG1-O 3.33Å; V351-L358 HydrophobicContact CG1-CB 4.42Å
352	W	98.7	Very high	97.9	Very high	7 Å²	7	7.4 Å²	7.4	3%	0.027	6%	0.057	C	C	.	.	H	α-helix	trans	-66.3	-48.6	-179.6	-79.6	118.4	0	0	0	112.9	R311 S312 P313 S348 R350 C354 G355 L358 W432 Y433 I437	R311-W352 HydrophobicContact CB-CH2 4.09Å; R311-W352 HydrophobicContact CB-CZ2 4.14Å; R311-W352 HydrophobicContact CG-CH2 4.08Å; S312-W352 PolarHBondContact O-NE1 2.61Å; P313-W352 PolarHBondContact O-NE1 3.25Å; S348-W352 PolarHBondContact O-N 3.12Å; R350-W352 VanDerWaalsContact C-N 3.35Å; R350-W352 PolarHBondContact O-N 3.26Å; W352-C354 VanDerWaalsContact C-N 3.28Å; W352-C354 PolarHBondContact O-N 2.92Å; W352-G355 PolarHBondContact O-N 3.16Å; W352-L358 HydrophobicContact CZ2-CB 4.11Å; W352-L358 VanDerWaalsContact CZ2-O 3.25Å; W352-L358 WeakPolarHBondContact CZ2-O 3.39Å; W352-W432 VanDerWaalsContact O-CZ3 3.3Å; W352-W432 WeakPolarHBondContact O-CZ3 3.33Å; W352-Y433 HydrophobicContact CB-CD2 3.74Å; W352-Y433 HydrophobicContact CB-CE2 3.97Å; W352-Y433 AromaticContact CD1-CE2 3.7Å; W352-Y433 HydrophobicContact CG-CD2 4.23Å; W352-Y433 HydrophobicContact CG-CE2 4.03Å; W352-I437 HydrophobicContact CB-CG1 4.12Å; W352-I437 HydrophobicContact CD2-CD1 3.66Å; W352-I437 HydrophobicContact CD2-CG1 3.95Å; W352-I437 HydrophobicContact CD2-CG2 3.75Å; W352-I437 HydrophobicContact CE3-CD1 3.31Å; W352-I437 HydrophobicContact CE3-CG1 4.09Å; W352-I437 HydrophobicContact CE3-CG2 4.49Å; W352-I437 HydrophobicContact CG-CD1 4.24Å; W352-I437 HydrophobicContact CG-CG1 4.02Å; W352-I437 HydrophobicContact CG-CG2 3.82Å; W352-I437 HydrophobicContact CH2-CD1 4.46Å; W352-I437 HydrophobicContact CZ2-CG2 4.22Å; W352-I437 HydrophobicContact CZ3-CD1 3.78Å
353	Q	98.8	Very high	98.2	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.019	6%	0.056	C	C	.	.	H	α-helix	trans	-66.3	-32.6	-177	-71.7	-179.4	73.2	0	0	111.7	F349 R350 G355 W392 C427 K428 S429	F349-Q353 VanDerWaalsContact O-CB 3.24Å; F349-Q353 WeakPolarHBondContact O-CB 3.35Å; F349-Q353 VanDerWaalsContact O-CG 3.27Å; F349-Q353 WeakPolarHBondContact O-CG 3.12Å; F349-Q353 PolarHBondContact O-N 2.9Å; F349-Q353 PolarHBondContact O-NE2 2.91Å; R350-Q353 PolarHBondContact O-N 3.21Å; Q353-G355 VanDerWaalsContact C-N 3.35Å; Q353-G355 PolarHBondContact O-N 3.15Å; Q353-W392 HydrophobicContact CB-CE3 4.43Å; Q353-W392 HydrophobicContact CB-CZ3 4.39Å; Q353-W392 PolarHBondContact NE2-O 3.03Å; Q353-W392 VanDerWaalsContact NE2-O 3.14Å; Q353-W392 PolarHBondContact OE1-O 3.34Å; Q353-C427 HydrophobicContact CB-CB 4.12Å; Q353-C427 CarbonylContact O-C 3.34Å; Q353-C427 VanDerWaalsContact O-CA 3.3Å; Q353-C427 WeakPolarHBondContact O-CA 3.41Å; Q353-K428 PolarHBondContact O-N 3.24Å; Q353-K428 PolarHBondContact OE1-O 2.9Å; Q353-S429 VanDerWaalsContact OE1-C 3.29Å
354	C	98.6	Very high	98.3	Very high	12 Å²	12	7 Å²	7	8%	0.081	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	17.5	-177.5	-51.1	0	0	0	0	113.9	L330 R350 W352 W392 L425 C427	L330-C354 HydrophobicContact CD2-CB 4.08Å; R350-C354 WeakPolarHBondContact O-CB 3.32Å; R350-C354 PolarHBondContact O-N 3.01Å; R350-C354 PolarHBondContact O-SG 2.98Å; W352-C354 VanDerWaalsContact C-N 3.28Å; W352-C354 PolarHBondContact O-N 2.92Å; C354-W392 VanDerWaalsContact SG-CH2 3.57Å; C354-W392 VanDerWaalsContact SG-CZ3 3.53Å; C354-L425 HydrophobicContact CB-CB 4.34Å; C354-L425 HydrophobicContact CB-CD1 4.2Å; C354-C427 HydrophobicContact CB-CB 4.04Å; C354-C427 WeakPolarHBondContact CB-SG 3.02Å; C354-C427 WeakPolarHBondContact SG-CB 3.17Å; C354-C427 CovalentContact SG-SG 2.03Å; C354-C427 PolarHBondContact SG-SG 3.03Å
355	G	97	Very high	98.4	Very high	60 Å²	60	6.4 Å²	6.4	62%	0.619	5%	0.051	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	7.7	167.1	0	0	0	0	0	116.4	V351 W352 Q353	V351-G355 PolarHBondContact O-N 2.81Å; W352-G355 PolarHBondContact O-N 3.16Å; Q353-G355 VanDerWaalsContact C-N 3.35Å; Q353-G355 PolarHBondContact O-N 3.15Å
356	G	98.1	Very high	98.4	Very high	9 Å²	9	6.3 Å²	6.3	9%	0.093	5%	0.051	C	C	.	.			trans	-86.4	-175.5	169	0	0	0	0	0	113.2	S255 V351	S255-G356 CarbonylContact O-C 3.48Å; S255-G356 WeakPolarHBondContact O-CA 3.17Å; V351-G356 WeakPolarHBondContact O-CA 3.48Å; V351-G356 PolarHBondContact O-N 2.62Å
357	S	98.2	Very high	98.4	Very high	13 Å²	13	6.2 Å²	6.2	9%	0.091	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	151	168.2	67	0	0	0	0	112	S255 T256 I257 V351 E359	S255-S357 PolarHBondContact O-N 3.5Å; T256-S357 CarbonylContact C-O 3.05Å; T256-S357 WeakPolarHBondContact CA-O 3.24Å; T256-S357 WeakPolarHBondContact CB-OG 3.24Å; T256-S357 VanDerWaalsContact CG2-OG 3.29Å; T256-S357 WeakPolarHBondContact CG2-OG 3.42Å; T256-S357 PolarHBondContact OG1-OG 2.89Å; I257-S357 PolarHBondContact N-O 3.42Å; V351-S357 WeakPolarHBondContact CG1-O 3.33Å; S357-E359 PolarHBondContact OG-OE1 3.45Å
358	L	98.8	Very high	98.4	Very high	1 Å²	1	7 Å²	7	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.3	174.3	-178.2	64	0	0	0	109.1	I257 S312 T314 M315 V351 W352	I257-L358 HydrophobicContact CB-CD1 3.74Å; I257-L358 HydrophobicContact CG2-CD1 3.62Å; I257-L358 WeakPolarHBondContact O-CA 3.49Å; S312-L358 PolarHBondContact N-O 3.31Å; T314-L358 VanDerWaalsContact C-CD2 3.44Å; M315-L358 HydrophobicContact CB-CD1 4.16Å; M315-L358 HydrophobicContact CB-CD2 3.96Å; M315-L358 HydrophobicContact CG-CD1 4.33Å; M315-L358 HydrophobicContact CG-CD2 4.05Å; M315-L358 HydrophobicContact SD-CD1 4.38Å; V351-L358 HydrophobicContact CG1-CB 4.42Å; W352-L358 HydrophobicContact CZ2-CB 4.11Å; W352-L358 VanDerWaalsContact CZ2-O 3.25Å; W352-L358 WeakPolarHBondContact CZ2-O 3.39Å
359	E	98.6	Very high	98.4	Very high	9 Å²	9	7.1 Å²	7.1	4%	0.042	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.6	-168.5	-64.4	171.4	-163	0	0	111.5	R249 T256 I257 V258 C259 P309 I310 R311 S357	R249-E359 IonicContact CZ-OE1 3.23Å; R249-E359 IonicContact CZ-OE2 3.65Å; R249-E359 IonicContact NE-OE1 3.68Å; R249-E359 IonicContact NE-OE2 3.32Å; R249-E359 PolarHBondContact NE-OE2 3.09Å; R249-E359 IonicContact NH2-OE1 3.8Å; R249-E359 PolarHBondContact NH2-OE1 3.18Å; R249-E359 IonicContact NH2-OE2 2.62Å; R249-E359 PolarHBondContact NH2-OE2 3.07Å; R249-E359 VanDerWaalsContact NH2-OE2 3.17Å; T256-E359 HydrophobicContact CG2-CB 4.27Å; T256-E359 HydrophobicContact CG2-CG 4.03Å; I257-E359 PolarHBondContact O-N 3.46Å; V258-E359 CarbonylContact C-O 3.59Å; V258-E359 WeakPolarHBondContact CA-O 3.32Å; C259-E359 PolarHBondContact N-O 3.24Å; P309-E359 HydrophobicContact CB-CB 4.1Å; P309-E359 HydrophobicContact CB-CG 4.47Å; P309-E359 VanDerWaalsContact CB-OE2 3.25Å; P309-E359 WeakPolarHBondContact CB-OE2 3.37Å; I310-E359 CarbonylContact O-C 3.29Å; I310-E359 WeakPolarHBondContact O-CA 3.3Å; R311-E359 HydrophobicContact CG-CG 4.45Å; S357-E359 PolarHBondContact OG-OE1 3.45Å
360	I	98.7	Very high	98.2	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.031	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.3	168.2	-70.8	164.1	0	0	0	107.8	C259 V261 P279 I281 W292 I310 P362	C259-I360 HydrophobicContact CB-CG1 3.99Å; C259-I360 WeakPolarHBondContact O-CA 3.35Å; V261-I360 HydrophobicContact CG2-CG2 3.87Å; P279-I360 HydrophobicContact CG-CG2 4.37Å; I281-I360 HydrophobicContact CB-CD1 4.01Å; I281-I360 HydrophobicContact CG2-CD1 3.9Å; W292-I360 HydrophobicContact CZ3-CD1 4.31Å; I310-I360 PolarHBondContact N-O 3.35Å; I310-I360 PolarHBondContact O-N 3.17Å; I360-P362 WeakPolarHBondContact O-CD 3.46Å
361	H	98.4	Very high	98	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.4	-178.6	-162.7	-47.3	0	0	0	111.3	P245 L246 V258 C259 C363 S364	P245-H361 PolarHBondContact O-CD2 2.9Å; L246-H361 HydrophobicContact CD2-CB 4.01Å; V258-H361 HydrophobicContact CG1-CB 3.76Å; C259-H361 PolarHBondContact O-N 2.93Å; H361-C363 PolarHBondContact ND1-N 2.69Å; H361-C363 PolarHBondContact O-N 2.96Å; H361-S364 PolarHBondContact O-N 3.42Å
362	P	97.8	Very high	97.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-16.9	-174.3	-24.2	35.2	0	0	0	116.1	M127 P279 E308 I310 I360 H365	M127-P362 HydrophobicContact CE-CB 3.43Å; M127-P362 VanDerWaalsContact CE-CB 3.43Å; P279-P362 HydrophobicContact CG-CG 4.41Å; E308-P362 WeakPolarHBondContact O-CD 3.17Å; I310-P362 HydrophobicContact CD1-CG 3.72Å; I310-P362 HydrophobicContact CG1-CG 3.99Å; I360-P362 WeakPolarHBondContact O-CD 3.46Å; P362-H365 PolarHBondContact O-CD2 3.11Å; P362-H365 PolarHBondContact O-NE2 2.76Å
363	C	98	Very high	97.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-8.2	173.6	-58.1	0	0	0	0	114.9	R126 C130 P245 H361	R126-C363 WeakPolarHBondContact CD-O 3.4Å; R126-C363 PolarHBondContact NH1-O 2.9Å; C130-C363 VanDerWaalsContact CA-SG 3.5Å; C130-C363 HydrophobicContact CB-CB 3.52Å; C130-C363 WeakPolarHBondContact CB-SG 3.34Å; C130-C363 WeakPolarHBondContact SG-CA 3.29Å; C130-C363 WeakPolarHBondContact SG-CB 3.36Å; C130-C363 CovalentContact SG-SG 2.04Å; C130-C363 PolarHBondContact SG-SG 2.68Å; P245-C363 HydrophobicContact CB-CB 4.17Å; P245-C363 HydrophobicContact CG-CB 3.83Å; H361-C363 PolarHBondContact ND1-N 2.69Å; H361-C363 PolarHBondContact O-N 2.96Å
364	S	98.6	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.3	179	-178.9	0	0	0	0	108.9	W242 L246 P260 V261 H361	W242-S364 WeakPolarHBondContact O-CB 3.48Å; W242-S364 PolarHBondContact O-OG 3.47Å; L246-S364 WeakPolarHBondContact CD2-OG 3.35Å; L246-S364 WeakPolarHBondContact CG-OG 3.4Å; P260-S364 CarbonylContact C-O 3.52Å; P260-S364 WeakPolarHBondContact CA-O 3.2Å; P260-S364 WeakPolarHBondContact CB-OG 3.43Å; V261-S364 PolarHBondContact N-O 3.05Å; H361-S364 PolarHBondContact O-N 3.42Å
365	H	98.6	Very high	95.7	Very high	4 Å²	4	29 Å²	29	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.9	-176.5	-79	-101.1	0	0	0	110.2	V239 W242 D263 Q275 P362	V239-H365 HydrophobicContact CB-CB 3.89Å; V239-H365 WeakPolarHBondContact CB-O 2.89Å; V239-H365 HydrophobicContact CG1-CB 4.46Å; V239-H365 HydrophobicContact CG2-CB 3.57Å; V239-H365 WeakPolarHBondContact CG2-O 3.45Å; V239-H365 PolarHBondContact N-O 3.13Å; V239-H365 VanDerWaalsContact N-O 3.13Å; W242-H365 WeakPolarHBondContact CB-O 3.08Å; D263-H365 IonicContact OD1-ND1 2.85Å; D263-H365 PolarHBondContact OD1-ND1 2.94Å; D263-H365 WeakPolarHBondContact OD2-CB 3.49Å; D263-H365 IonicContact OD2-CE1 3.28Å; D263-H365 IonicContact OD2-CG 2.66Å; D263-H365 IonicContact OD2-ND1 3.37Å; D263-H365 PolarHBondContact OD2-ND1 3.27Å; Q275-H365 PolarHBondContact O-CE1 3.06Å; P362-H365 PolarHBondContact O-CD2 3.11Å; P362-H365 PolarHBondContact O-NE2 2.76Å
366	V	98.8	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.3	174.1	-175.8	0	0	0	0	108.1	L232 C236 W242 P260 V261 I262 D263 L319	L232-V366 HydrophobicContact CD2-CG1 4.22Å; C236-V366 HydrophobicContact CB-CG1 3.89Å; W242-V366 HydrophobicContact CB-CG2 4.38Å; W242-V366 HydrophobicContact CD2-CG2 4.04Å; W242-V366 HydrophobicContact CE3-CG2 3.51Å; W242-V366 HydrophobicContact CG-CG2 4.43Å; W242-V366 HydrophobicContact CZ3-CG2 4.1Å; P260-V366 HydrophobicContact CB-CB 4.27Å; P260-V366 HydrophobicContact CB-CG2 3.81Å; P260-V366 HydrophobicContact CG-CB 4.2Å; P260-V366 HydrophobicContact CG-CG2 3.92Å; V261-V366 PolarHBondContact O-N 2.9Å; I262-V366 WeakPolarHBondContact CA-O 3.47Å; D263-V366 PolarHBondContact N-O 3.32Å; L319-V366 HydrophobicContact CD2-CB 3.6Å; L319-V366 HydrophobicContact CD2-CG1 3.37Å; L319-V366 HydrophobicContact CD2-CG2 4.37Å
367	G	98.5	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.3	172.2	0	0	0	0	0	110.8	C236 E237 D263 F272	C236-G367 CarbonylContact C-O 3.6Å; C236-G367 WeakPolarHBondContact CA-O 3.41Å; C236-G367 WeakPolarHBondContact CB-O 2.99Å; E237-G367 PolarHBondContact N-O 3.43Å; E237-G367 PolarHBondContact O-N 3.45Å; D263-G367 CarbonylContact O-C 3.52Å; D263-G367 WeakPolarHBondContact O-CA 3.45Å; F272-G367 VanDerWaalsContact CE2-CA 3.4Å
368	H	98.6	Very high	93.8	Very high	17 Å²	17	35.9 Å²	35.9	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.7	178.4	171.5	-83	0	0	0	109.3	D233 H235 I262 D263 I265 F370	D233-H368 IonicContact OD2-CD2 3.44Å; D233-H368 IonicContact OD2-NE2 3.92Å; H235-H368 AromaticContact CD2-CD2 3.81Å; H235-H368 AromaticContact CD2-NE2 3.47Å; H235-H368 PolarHBondContact CD2-NE2 2.88Å; H235-H368 AromaticContact NE2-CE1 3.93Å; H235-H368 AromaticContact NE2-NE2 3.28Å; H235-H368 PolarHBondContact NE2-NE2 2.97Å; I262-H368 HydrophobicContact CG2-CB 3.67Å; D263-H368 PolarHBondContact O-N 3.5Å; I265-H368 PolarHBondContact N-O 2.85Å; H368-F370 HydrophobicContact CB-CE2 4.2Å; H368-F370 HydrophobicContact CB-CZ 4.48Å; H368-F370 AromaticContact CE1-CD1 3.86Å; H368-F370 AromaticContact ND1-CD1 3.59Å; H368-F370 AromaticContact ND1-CD2 3.63Å; H368-F370 AromaticContact ND1-CE1 3.61Å; H368-F370 AromaticContact ND1-CE2 3.66Å; H368-F370 AromaticContact ND1-CG 3.61Å; H368-F370 AromaticContact ND1-CZ 3.65Å; H368-F370 VanDerWaalsContact O-CD2 3.32Å; H368-F370 WeakPolarHBondContact O-CD2 3.35Å; H368-F370 PolarHBondContact O-N 2.91Å; H368-F370 VanDerWaalsContact O-N 3.16Å
369	V	98.3	Very high	93.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	103.2	175.8	-173.3	0	0	0	0	109.2	I108 H235 I265 W267 F270 P371	I108-V369 HydrophobicContact CD1-CB 4.38Å; I108-V369 HydrophobicContact CD1-CG1 3.78Å; I108-V369 HydrophobicContact CG1-CG1 3.97Å; I108-V369 HydrophobicContact CG2-CG1 3.88Å; H235-V369 HydrophobicContact CB-CB 4.16Å; H235-V369 HydrophobicContact CB-CG2 4.21Å; H235-V369 PolarHBondContact O-N 2.79Å; I265-V369 HydrophobicContact CB-CG2 3.89Å; I265-V369 HydrophobicContact CD1-CG2 4.28Å; I265-V369 HydrophobicContact CG2-CG2 3.84Å; I265-V369 WeakPolarHBondContact O-CA 3.31Å; W267-V369 HydrophobicContact CB-CG1 3.99Å; F270-V369 HydrophobicContact CE1-CG2 4.04Å; V369-P371 VanDerWaalsContact O-CD 3.24Å; V369-P371 WeakPolarHBondContact O-CD 3.47Å
370	F	94.5	Very high	92.9	Very high	77 Å²	77	41.2 Å²	41.2	34%	0.338	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	108.7	175.5	-71	-85.1	0	0	0	109.8	I262 T264 W267 H368	I262-F370 HydrophobicContact CG2-CE2 4.07Å; I262-F370 HydrophobicContact CG2-CZ 3.77Å; T264-F370 HydrophobicContact CG2-CD2 4.02Å; W267-F370 WeakPolarHBondContact CB-O 3.49Å; W267-F370 VanDerWaalsContact CD1-O 3.27Å; H368-F370 HydrophobicContact CB-CE2 4.2Å; H368-F370 HydrophobicContact CB-CZ 4.48Å; H368-F370 AromaticContact CE1-CD1 3.86Å; H368-F370 AromaticContact ND1-CD1 3.59Å; H368-F370 AromaticContact ND1-CD2 3.63Å; H368-F370 AromaticContact ND1-CE1 3.61Å; H368-F370 AromaticContact ND1-CE2 3.66Å; H368-F370 AromaticContact ND1-CG 3.61Å; H368-F370 AromaticContact ND1-CZ 3.65Å; H368-F370 VanDerWaalsContact O-CD2 3.32Å; H368-F370 WeakPolarHBondContact O-CD2 3.35Å; H368-F370 PolarHBondContact O-N 2.91Å; H368-F370 VanDerWaalsContact O-N 3.16Å
371	P	93.5	Very high	92.6	Very high	36 Å²	36	43.5 Å²	43.5	23%	0.234	23%	0.231	C	C	.	.			trans	-67.2	152.9	-172.9	29.8	-36.3	0	0	0	111.4	A107 I108 V369 K373	A107-P371 HydrophobicContact CB-CB 4.06Å; I108-P371 HydrophobicContact CD1-CB 4.42Å; I108-P371 HydrophobicContact CG1-CB 4.01Å; V369-P371 VanDerWaalsContact O-CD 3.24Å; V369-P371 WeakPolarHBondContact O-CD 3.47Å; P371-K373 WeakPolarHBondContact CB-O 3.48Å; P371-K373 PolarHBondContact O-N 3Å; P371-K373 VanDerWaalsContact O-N 3.11Å
372	K	91.8	Very high	92.4	Very high	129 Å²	129	44.6 Å²	44.6	56%	0.561	24%	0.237	S	C	*	.	S	Bend	trans	-53.3	-35.1	179.5	-172.3	-179.1	-172.7	171.2	0	113.4	V103 A107 W267	V103-K372 HydrophobicContact CG1-CD 4.23Å; A107-K372 HydrophobicContact CB-CB 4.36Å; A107-K372 WeakPolarHBondContact O-CB 3.29Å; A107-K372 PolarHBondContact O-N 3.24Å; W267-K372 HydrophobicContact CD2-CB 3.77Å; W267-K372 HydrophobicContact CD2-CG 4.45Å; W267-K372 HydrophobicContact CE3-CB 4.06Å; W267-K372 HydrophobicContact CG-CB 4.33Å; W267-K372 HydrophobicContact CH2-CB 4.29Å; W267-K372 HydrophobicContact CH2-CD 3.57Å; W267-K372 HydrophobicContact CH2-CG 4.06Å; W267-K372 HydrophobicContact CZ2-CB 3.96Å; W267-K372 HydrophobicContact CZ2-CD 3.72Å; W267-K372 HydrophobicContact CZ2-CG 3.69Å; W267-K372 HydrophobicContact CZ3-CB 4.32Å; W267-K372 HydrophobicContact CZ3-CD 4.02Å
373	K	89.1	Confident	92.3	Very high	134 Å²	134	46.4 Å²	46.4	58%	0.583	25%	0.245	S	C	*	.	S	Bend	trans	-153.4	169	177.7	60.6	179.9	179.5	179.8	0	108.5	A107 P371 P375	A107-K373 HydrophobicContact CB-CG 3.8Å; A107-K373 WeakPolarHBondContact CB-O 3.37Å; P371-K373 WeakPolarHBondContact CB-O 3.48Å; P371-K373 PolarHBondContact O-N 3Å; P371-K373 VanDerWaalsContact O-N 3.11Å; K373-P375 WeakPolarHBondContact O-CD 3.5Å; K373-P375 VanDerWaalsContact O-N 3.14Å
374	A	85.9	Confident	92.2	Very high	48 Å²	48	46.3 Å²	46.3	40%	0.397	25%	0.245	S	C	.	.			trans	-54.9	120.3	173.3	0	0	0	0	0	110.5	Y376 R378	A374-Y376 PolarHBondContact O-N 2.76Å; A374-R378 HydrophobicContact CB-CG 4.49Å
375	P	80.8	Confident	92.1	Very high	58 Å²	58	46.4 Å²	46.4	38%	0.377	25%	0.245	S	C	.	.	S	Bend	trans	-76.9	-7	-174.8	28.1	-32.4	0	0	0	113.2	A107 K373	A107-P375 HydrophobicContact CB-CB 4.48Å; K373-P375 WeakPolarHBondContact O-CD 3.5Å; K373-P375 VanDerWaalsContact O-N 3.14Å
376	Y	83.6	Confident	92.1	Very high	65 Å²	65	46.2 Å²	46.2	26%	0.255	25%	0.245	S	C	.	.	S	Bend	trans	-148.9	162.8	175.5	52.5	-95.3	0	0	0	110	V339 W340 A374 R378	V339-Y376 HydrophobicContact CG1-CD2 4.47Å; V339-Y376 HydrophobicContact CG1-CE2 4.23Å; W340-Y376 HydrophobicContact CB-CE2 4.15Å; A374-Y376 PolarHBondContact O-N 2.76Å; Y376-R378 HydrophobicContact CD2-CG 4.22Å; Y376-R378 HydrophobicContact CE2-CG 4.03Å
377	A	81.5	Confident	92.1	Very high	80 Å²	80	46.8 Å²	46.8	66%	0.661	25%	0.247	S	C	*	.			trans	-63.2	134.7	177.7	0	0	0	0	0	111.3	P379	A377-P379 VanDerWaalsContact O-CD 3.27Å; A377-P379 WeakPolarHBondContact O-CD 3.34Å
378	R	86.8	Confident	92.1	Very high	82 Å²	82	46.9 Å²	46.9	31%	0.309	25%	0.247	S	C	.	.			trans	-118.8	58.2	-180	-65.2	168.8	175.8	-173.3	4.3	111.3	W340 A374 Y376 N380	W340-R378 HydrophobicContact CB-CG 4.43Å; W340-R378 HydrophobicContact CD2-CG 4.2Å; W340-R378 HydrophobicContact CE3-CB 4.07Å; W340-R378 VanDerWaalsContact CE3-CD 3.45Å; W340-R378 HydrophobicContact CE3-CG 3.86Å; W340-R378 HydrophobicContact CG-CG 4.46Å; A374-R378 HydrophobicContact CB-CG 4.49Å; Y376-R378 HydrophobicContact CD2-CG 4.22Å; Y376-R378 HydrophobicContact CE2-CG 4.03Å; R378-N380 VanDerWaalsContact C-N 3.33Å; R378-N380 PolarHBondContact O-N 3.19Å
379	P	87.9	Confident	92.1	Very high	100 Å²	100	46 Å²	46	65%	0.649	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-28	-171.4	29.8	-34.4	0	0	0	113	A377 F381	A377-P379 VanDerWaalsContact O-CD 3.27Å; A377-P379 WeakPolarHBondContact O-CD 3.34Å; P379-F381 VanDerWaalsContact C-N 3.33Å; P379-F381 PolarHBondContact O-N 3.06Å
380	N	90.9	Very high	92.1	Very high	23 Å²	23	47.3 Å²	47.3	12%	0.123	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.7	-173.5	-56.5	93.8	0	0	0	114.7	E338 V339 R378 L382 Q383 N384	E338-N380 HydrophobicContact CB-CB 3.94Å; E338-N380 WeakPolarHBondContact O-CB 3.12Å; E338-N380 PolarHBondContact OE2-ND2 3.47Å; V339-N380 WeakPolarHBondContact CG2-OD1 3.17Å; R378-N380 VanDerWaalsContact C-N 3.33Å; R378-N380 PolarHBondContact O-N 3.19Å; N380-L382 VanDerWaalsContact C-N 3.25Å; N380-L382 PolarHBondContact O-N 2.83Å; N380-Q383 PolarHBondContact ND2-OE1 2.81Å; N380-Q383 PolarHBondContact O-N 3.23Å; N380-N384 VanDerWaalsContact O-CG 3.24Å; N380-N384 PolarHBondContact O-N 3.23Å
381	F	92.2	Very high	92.3	Very high	53 Å²	53	43.7 Å²	43.7	23%	0.232	23%	0.234	C	C	.	.	H	α-helix	trans	-53	-44.9	-177.4	173.1	-93.7	0	0	0	111.9	T289 W340 P379 T385	T289-F381 HydrophobicContact CG2-CE1 4.39Å; T289-F381 HydrophobicContact CG2-CZ 4.05Å; W340-F381 HydrophobicContact CE3-CD2 4.18Å; W340-F381 HydrophobicContact CH2-CD2 4.43Å; W340-F381 AromaticContact CZ3-CD2 3.59Å; W340-F381 HydrophobicContact CZ3-CD2 3.59Å; W340-F381 HydrophobicContact CZ3-CE2 4.24Å; W340-F381 HydrophobicContact CZ3-CG 4.41Å; P379-F381 VanDerWaalsContact C-N 3.33Å; P379-F381 PolarHBondContact O-N 3.06Å; F381-T385 VanDerWaalsContact O-CB 3.24Å; F381-T385 WeakPolarHBondContact O-CB 3.41Å; F381-T385 PolarHBondContact O-N 2.73Å; F381-T385 PolarHBondContact O-OG1 2.84Å
382	L	94.2	Very high	92.5	Very high	26 Å²	26	42.1 Å²	42.1	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-70.5	-44.1	-177	-165.7	58.9	0	0	0	111.7	N380 N384 T385 V386 F400 N404 P406 A407 E410	N380-L382 VanDerWaalsContact C-N 3.25Å; N380-L382 PolarHBondContact O-N 2.83Å; L382-N384 PolarHBondContact O-N 3.21Å; L382-T385 PolarHBondContact O-N 2.65Å; L382-V386 VanDerWaalsContact O-CG2 3.28Å; L382-V386 WeakPolarHBondContact O-CG2 3.21Å; L382-V386 PolarHBondContact O-N 2.95Å; L382-F400 HydrophobicContact CD1-CE2 4.45Å; L382-F400 HydrophobicContact CD1-CZ 4.01Å; L382-N404 WeakPolarHBondContact CD1-ND2 3.35Å; L382-P406 HydrophobicContact CD2-CB 4.44Å; L382-A407 HydrophobicContact CD1-CB 3.86Å; L382-A407 HydrophobicContact CD2-CB 4.25Å; L382-A407 HydrophobicContact CG-CB 4.16Å; L382-E410 HydrophobicContact CB-CG 4.26Å; L382-E410 HydrophobicContact CD2-CG 3.61Å; L382-E410 HydrophobicContact CG-CG 3.73Å
383	Q	95.8	Very high	92.8	Very high	38 Å²	38	36 Å²	36	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-50	176.1	-172.2	-171.9	12.9	0	0	111.7	N380 T385 V386 R387 N411	N380-Q383 PolarHBondContact ND2-OE1 2.81Å; N380-Q383 PolarHBondContact O-N 3.23Å; Q383-T385 VanDerWaalsContact C-N 3.35Å; Q383-T385 PolarHBondContact O-N 3.49Å; Q383-V386 PolarHBondContact O-N 2.93Å; Q383-R387 WeakPolarHBondContact O-CG 3.44Å; Q383-R387 PolarHBondContact O-N 2.7Å; Q383-R387 VanDerWaalsContact O-N 3.1Å; Q383-N411 WeakPolarHBondContact CG-O 3.42Å; Q383-N411 PolarHBondContact NE2-O 2.89Å
384	N	96.6	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-42.1	179.5	-63.5	-13.6	0	0	0	111.5	M337 E338 G341 N380 L382 V386 R387 A388	M337-N384 VanDerWaalsContact CA-OD1 3.31Å; M337-N384 WeakPolarHBondContact CA-OD1 3.43Å; M337-N384 HydrophobicContact CB-CB 4.39Å; M337-N384 HydrophobicContact CE-CB 4.44Å; M337-N384 WeakPolarHBondContact CE-O 3.16Å; M337-N384 HydrophobicContact CG-CB 4.03Å; M337-N384 HydrophobicContact SD-CB 4.37Å; E338-N384 PolarHBondContact N-ND2 2.92Å; E338-N384 PolarHBondContact N-OD1 2.95Å; E338-N384 PolarHBondContact O-ND2 3.29Å; G341-N384 WeakPolarHBondContact O-CB 3.35Å; G341-N384 PolarHBondContact O-ND2 2.91Å; N380-N384 VanDerWaalsContact O-CG 3.24Å; N380-N384 PolarHBondContact O-N 3.23Å; L382-N384 PolarHBondContact O-N 3.21Å; N384-V386 VanDerWaalsContact C-N 3.31Å; N384-V386 PolarHBondContact O-N 2.8Å; N384-R387 WeakPolarHBondContact O-CB 3.31Å; N384-R387 PolarHBondContact O-N 3.1Å; N384-A388 PolarHBondContact O-N 2.83Å
385	T	97.3	Very high	93.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-39.1	177.2	-63.5	0	0	0	0	111.8	L288 F381 L382 Q383 A388 A389 F400	L288-T385 HydrophobicContact CB-CG2 3.35Å; L288-T385 HydrophobicContact CD1-CG2 3.59Å; L288-T385 HydrophobicContact CG-CG2 4.1Å; F381-T385 VanDerWaalsContact O-CB 3.24Å; F381-T385 WeakPolarHBondContact O-CB 3.41Å; F381-T385 PolarHBondContact O-N 2.73Å; F381-T385 PolarHBondContact O-OG1 2.84Å; L382-T385 PolarHBondContact O-N 2.65Å; Q383-T385 VanDerWaalsContact C-N 3.35Å; Q383-T385 PolarHBondContact O-N 3.49Å; T385-A388 WeakPolarHBondContact O-CB 3.06Å; T385-A388 PolarHBondContact O-N 2.86Å; T385-A389 PolarHBondContact O-N 2.99Å; T385-F400 HydrophobicContact CG2-CE2 3.82Å; T385-F400 HydrophobicContact CG2-CZ 3.77Å
386	V	98.1	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-43	173.6	172.4	0	0	0	0	111.2	L382 Q383 N384 A388 A389 E390 F400 Y401 A407 E410 Y412	L382-V386 VanDerWaalsContact O-CG2 3.28Å; L382-V386 WeakPolarHBondContact O-CG2 3.21Å; L382-V386 PolarHBondContact O-N 2.95Å; Q383-V386 PolarHBondContact O-N 2.93Å; N384-V386 VanDerWaalsContact C-N 3.31Å; N384-V386 PolarHBondContact O-N 2.8Å; V386-A388 VanDerWaalsContact C-N 3.29Å; V386-A388 PolarHBondContact O-N 2.98Å; V386-A389 PolarHBondContact O-N 2.66Å; V386-A389 VanDerWaalsContact O-N 3.17Å; V386-E390 HydrophobicContact CG1-CG 4.08Å; V386-E390 WeakPolarHBondContact O-CB 2.98Å; V386-E390 WeakPolarHBondContact O-CG 3.12Å; V386-E390 PolarHBondContact O-N 2.9Å; V386-F400 HydrophobicContact CG2-CE1 3.91Å; V386-F400 HydrophobicContact CG2-CZ 4.16Å; V386-Y401 WeakPolarHBondContact CG1-OH 3.45Å; V386-Y401 HydrophobicContact CG2-CE1 4.31Å; V386-A407 HydrophobicContact CG2-CB 3.89Å; V386-E410 HydrophobicContact CG2-CB 4.24Å; V386-Y412 HydrophobicContact CB-CD1 4.39Å; V386-Y412 HydrophobicContact CG1-CD1 3.22Å; V386-Y412 HydrophobicContact CG1-CE1 3.87Å; V386-Y412 HydrophobicContact CG1-CG 3.59Å
387	R	98.1	Very high	95.3	Very high	12 Å²	12	32 Å²	32	5%	0.045	19%	0.187	C	C	.	.	H	α-helix	trans	-56.2	-44.8	174.2	-63.8	178.9	64.3	81	0.4	111.5	D334 M337 Q383 N384 V391 Y412 D414 I415	D334-R387 VanDerWaalsContact CG-NH2 3.32Å; D334-R387 IonicContact OD1-CZ 3.59Å; D334-R387 IonicContact OD1-NE 2.8Å; D334-R387 IonicContact OD1-NH2 2.6Å; D334-R387 PolarHBondContact OD1-NH2 3.23Å; D334-R387 IonicContact OD2-CZ 3.64Å; D334-R387 VanDerWaalsContact OD2-CZ 3.24Å; D334-R387 IonicContact OD2-NE 2.85Å; D334-R387 PolarHBondContact OD2-NE 3.38Å; D334-R387 IonicContact OD2-NH2 3.17Å; D334-R387 PolarHBondContact OD2-NH2 2.82Å; M337-R387 HydrophobicContact CE-CB 4.4Å; Q383-R387 WeakPolarHBondContact O-CG 3.44Å; Q383-R387 PolarHBondContact O-N 2.7Å; Q383-R387 VanDerWaalsContact O-N 3.1Å; N384-R387 WeakPolarHBondContact O-CB 3.31Å; N384-R387 PolarHBondContact O-N 3.1Å; R387-V391 WeakPolarHBondContact O-CG2 3.49Å; R387-V391 PolarHBondContact O-N 3.14Å; R387-Y412 WeakPolarHBondContact CD-O 3.49Å; R387-Y412 WeakPolarHBondContact CG-O 3.49Å; R387-Y412 PolarHBondContact NH1-O 3.25Å; R387-D414 PolarHBondContact NH1-O 3.29Å; R387-D414 PolarHBondContact NH2-O 3.41Å; R387-I415 HydrophobicContact CB-CG2 4.32Å; R387-I415 HydrophobicContact CG-CG2 4.23Å
388	A	98.3	Very high	96	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-45.2	177.1	0	0	0	0	0	111.9	M337 E346 N384 T385 V386 W392	M337-A388 HydrophobicContact CE-CB 4.24Å; E346-A388 HydrophobicContact CB-CB 3.73Å; E346-A388 HydrophobicContact CG-CB 3.87Å; N384-A388 PolarHBondContact O-N 2.83Å; T385-A388 WeakPolarHBondContact O-CB 3.06Å; T385-A388 PolarHBondContact O-N 2.86Å; V386-A388 VanDerWaalsContact C-N 3.29Å; V386-A388 PolarHBondContact O-N 2.98Å; A388-W392 WeakPolarHBondContact O-CB 3.43Å; A388-W392 PolarHBondContact O-N 3.07Å
389	A	98.4	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-45.8	-179.9	0	0	0	0	0	112.5	L288 T385 V386 V391 M393 K397 F400	L288-A389 HydrophobicContact CD1-CB 3.8Å; T385-A389 PolarHBondContact O-N 2.99Å; V386-A389 PolarHBondContact O-N 2.66Å; V386-A389 VanDerWaalsContact O-N 3.17Å; A389-V391 PolarHBondContact O-N 3.11Å; A389-M393 HydrophobicContact CB-SD 3.7Å; A389-M393 WeakPolarHBondContact O-CB 3.35Å; A389-M393 PolarHBondContact O-N 2.66Å; A389-M393 VanDerWaalsContact O-N 3.11Å; A389-K397 HydrophobicContact CB-CB 4.14Å; A389-F400 HydrophobicContact CB-CD1 4.12Å; A389-F400 HydrophobicContact CB-CE1 4.39Å
390	E	98.3	Very high	96.8	Very high	29 Å²	29	24.8 Å²	24.8	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-41.7	-179.1	-74.2	-61.5	139.6	0	0	112.4	V386 K397 Y401 Y412 I415	V386-E390 HydrophobicContact CG1-CG 4.08Å; V386-E390 WeakPolarHBondContact O-CB 2.98Å; V386-E390 WeakPolarHBondContact O-CG 3.12Å; V386-E390 PolarHBondContact O-N 2.9Å; E390-K397 IonicContact OE1-NZ 3.6Å; E390-K397 PolarHBondContact OE1-NZ 3.24Å; E390-K397 IonicContact OE2-NZ 2.69Å; E390-K397 PolarHBondContact OE2-NZ 3.24Å; E390-Y401 WeakPolarHBondContact OE1-CE2 3.41Å; E390-Y401 PolarHBondContact OE1-OH 3.45Å; E390-Y412 HydrophobicContact CG-CE1 4.22Å; E390-Y412 HydrophobicContact CG-CE2 4.06Å; E390-I415 HydrophobicContact CB-CD1 3.56Å; E390-I415 HydrophobicContact CG-CD1 4.45Å
391	V	98.5	Very high	97.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-79.2	-39.8	-178.2	180	0	0	0	0	112.1	R387 A389 I415 R418 E419 R422	R387-V391 WeakPolarHBondContact O-CG2 3.49Å; R387-V391 PolarHBondContact O-N 3.14Å; A389-V391 PolarHBondContact O-N 3.11Å; V391-I415 HydrophobicContact CG2-CB 3.94Å; V391-I415 HydrophobicContact CG2-CD1 4.07Å; V391-I415 HydrophobicContact CG2-CG2 4.28Å; V391-R418 HydrophobicContact CG1-CB 4Å; V391-R418 HydrophobicContact CG2-CB 3.78Å; V391-E419 HydrophobicContact CG2-CG 4.5Å; V391-R422 WeakPolarHBondContact O-CD 3.47Å; V391-R422 PolarHBondContact O-NH1 3.02Å
392	W	98.6	Very high	97.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-113	-15.8	-162.2	-63.1	103.7	0	0	0	116.1	E346 F349 R350 Q353 C354 A388 R422 C427 F430	E346-W392 PolarHBondContact OE1-NE1 3.07Å; F349-W392 HydrophobicContact CB-CB 3.88Å; F349-W392 HydrophobicContact CB-CG 4.1Å; F349-W392 HydrophobicContact CD2-CB 4Å; F349-W392 HydrophobicContact CG-CB 4.4Å; R350-W392 HydrophobicContact CB-CD2 4.36Å; R350-W392 HydrophobicContact CB-CE3 4.44Å; R350-W392 HydrophobicContact CB-CH2 3.65Å; R350-W392 HydrophobicContact CB-CZ2 3.52Å; R350-W392 HydrophobicContact CB-CZ3 4.1Å; R350-W392 HydrophobicContact CG-CH2 3.5Å; R350-W392 HydrophobicContact CG-CZ2 3.65Å; R350-W392 HydrophobicContact CG-CZ3 4.24Å; Q353-W392 HydrophobicContact CB-CE3 4.43Å; Q353-W392 HydrophobicContact CB-CZ3 4.39Å; Q353-W392 PolarHBondContact NE2-O 3.03Å; Q353-W392 VanDerWaalsContact NE2-O 3.14Å; Q353-W392 PolarHBondContact OE1-O 3.34Å; C354-W392 VanDerWaalsContact SG-CH2 3.57Å; C354-W392 VanDerWaalsContact SG-CZ3 3.53Å; A388-W392 WeakPolarHBondContact O-CB 3.43Å; A388-W392 PolarHBondContact O-N 3.07Å; W392-R422 HydrophobicContact CE3-CG 4.35Å; W392-R422 HydrophobicContact CH2-CB 4.01Å; W392-R422 HydrophobicContact CH2-CG 4.11Å; W392-R422 HydrophobicContact CZ3-CB 4.19Å; W392-R422 HydrophobicContact CZ3-CG 3.76Å; W392-C427 HydrophobicContact CZ3-CB 4.13Å; W392-F430 WeakPolarHBondContact O-CB 3.09Å; W392-F430 VanDerWaalsContact O-CD2 3.27Å; W392-F430 WeakPolarHBondContact O-CD2 3.38Å
393	M	98.6	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.			trans	-99.8	-8.2	-170.1	-64.9	179.4	68.8	0	0	115.1	W286 L288 F349 A389 S395 Y396 K397 F430	W286-M393 HydrophobicContact CE3-CE 4.26Å; W286-M393 HydrophobicContact CZ3-CE 3.83Å; L288-M393 HydrophobicContact CD1-CE 4.42Å; L288-M393 HydrophobicContact CD1-SD 3.57Å; L288-M393 VanDerWaalsContact CD1-SD 3.57Å; L288-M393 HydrophobicContact CD2-CE 3.81Å; L288-M393 HydrophobicContact CD2-SD 3.7Å; L288-M393 HydrophobicContact CG-SD 4.23Å; F349-M393 HydrophobicContact CE2-CG 4.23Å; F349-M393 HydrophobicContact CE2-SD 4.42Å; A389-M393 HydrophobicContact CB-SD 3.7Å; A389-M393 WeakPolarHBondContact O-CB 3.35Å; A389-M393 PolarHBondContact O-N 2.66Å; A389-M393 VanDerWaalsContact O-N 3.11Å; M393-S395 PolarHBondContact O-N 3.41Å; M393-Y396 WeakPolarHBondContact O-CB 3.36Å; M393-Y396 PolarHBondContact O-N 3.07Å; M393-Y396 VanDerWaalsContact O-N 3.08Å; M393-K397 HydrophobicContact CB-CB 4.06Å; M393-F430 HydrophobicContact CB-CD1 4.3Å; M393-F430 HydrophobicContact CB-CD2 4.41Å; M393-F430 HydrophobicContact CB-CE1 4.45Å; M393-F430 HydrophobicContact CB-CG 4.26Å; M393-F430 HydrophobicContact CE-CE1 3.98Å; M393-F430 HydrophobicContact CE-CZ 4.05Å; M393-F430 HydrophobicContact CG-CD1 4.45Å; M393-F430 HydrophobicContact CG-CD2 4.11Å; M393-F430 HydrophobicContact CG-CE1 4.2Å; M393-F430 HydrophobicContact CG-CE2 3.85Å; M393-F430 HydrophobicContact CG-CG 4.39Å; M393-F430 HydrophobicContact CG-CZ 3.88Å; M393-F430 WeakPolarHBondContact O-CB 3.48Å
394	G	97.3	Very high	97	Very high	41 Å²	41	21 Å²	21	42%	0.423	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	56.7	-130.2	-177.1	0	0	0	0	0	111.8	Y396 K397	G394-Y396 VanDerWaalsContact C-N 3.33Å; G394-K397 VanDerWaalsContact O-CD 3.3Å; G394-K397 WeakPolarHBondContact O-CD 3.35Å; G394-K397 WeakPolarHBondContact O-CE 3.31Å; G394-K397 VanDerWaalsContact O-CG 3.24Å; G394-K397 WeakPolarHBondContact O-CG 3.29Å
395	S	97.4	Very high	96.8	Very high	89 Å²	89	22.2 Å²	22.2	62%	0.622	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	-71.6	-23.2	177.1	51.1	0	0	0	0	113.9	M393 K397 Q398	M393-S395 PolarHBondContact O-N 3.41Å; S395-K397 PolarHBondContact O-N 3.1Å; S395-K397 VanDerWaalsContact O-N 3.15Å; S395-Q398 WeakPolarHBondContact O-CG 3.4Å; S395-Q398 PolarHBondContact O-N 2.82Å; S395-Q398 VanDerWaalsContact O-N 3.16Å
396	Y	98.3	Very high	96.5	Very high	48 Å²	48	24.4 Å²	24.4	19%	0.188	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-68	-14.6	-176.8	-63.9	-89.3	0	0	0	113.5	W286 M393 G394 Q398 H399 F430 E431 L434 V443	W286-Y396 HydrophobicContact CH2-CD1 4.18Å; M393-Y396 WeakPolarHBondContact O-CB 3.36Å; M393-Y396 PolarHBondContact O-N 3.07Å; M393-Y396 VanDerWaalsContact O-N 3.08Å; G394-Y396 VanDerWaalsContact C-N 3.33Å; Y396-Q398 PolarHBondContact O-N 3.46Å; Y396-Q398 VanDerWaalsContact O-N 3.11Å; Y396-H399 AromaticContact CD1-CD2 3.94Å; Y396-H399 AromaticContact CD1-NE2 3.95Å; Y396-H399 PolarHBondContact O-CD2 3.26Å; Y396-H399 PolarHBondContact O-N 2.97Å; Y396-H399 VanDerWaalsContact O-N 3.13Å; Y396-F430 HydrophobicContact CD2-CB 4.19Å; Y396-F430 AromaticContact CD2-CD1 3.73Å; Y396-F430 HydrophobicContact CD2-CD1 3.73Å; Y396-F430 HydrophobicContact CD2-CG 4.45Å; Y396-F430 AromaticContact CG-CD1 3.77Å; Y396-F430 HydrophobicContact CG-CD1 3.77Å; Y396-F430 HydrophobicContact CG-CE1 4.35Å; Y396-E431 HydrophobicContact CE2-CB 3.88Å; Y396-L434 HydrophobicContact CD1-CD1 3.63Å; Y396-L434 HydrophobicContact CD2-CD1 4.36Å; Y396-L434 HydrophobicContact CE1-CD1 3.57Å; Y396-L434 HydrophobicContact CE2-CD1 4.31Å; Y396-L434 HydrophobicContact CG-CD1 4.03Å; Y396-V443 HydrophobicContact CD1-CG1 4.02Å; Y396-V443 HydrophobicContact CE1-CG1 3.79Å
397	K	97.9	Very high	96.4	Very high	43 Å²	43	24.5 Å²	24.5	19%	0.187	14%	0.14	C	C	.	.	H	α-helix	trans	-57.6	-22.2	171.3	69.8	-168.6	176.7	177.6	0	113	A389 E390 M393 G394 S395 H399 F400 Y401	A389-K397 HydrophobicContact CB-CB 4.14Å; E390-K397 IonicContact OE1-NZ 3.6Å; E390-K397 PolarHBondContact OE1-NZ 3.24Å; E390-K397 IonicContact OE2-NZ 2.69Å; E390-K397 PolarHBondContact OE2-NZ 3.24Å; M393-K397 HydrophobicContact CB-CB 4.06Å; G394-K397 VanDerWaalsContact O-CD 3.3Å; G394-K397 WeakPolarHBondContact O-CD 3.35Å; G394-K397 WeakPolarHBondContact O-CE 3.31Å; G394-K397 VanDerWaalsContact O-CG 3.24Å; G394-K397 WeakPolarHBondContact O-CG 3.29Å; S395-K397 PolarHBondContact O-N 3.1Å; S395-K397 VanDerWaalsContact O-N 3.15Å; K397-H399 VanDerWaalsContact C-N 3.31Å; K397-H399 PolarHBondContact O-N 3.42Å; K397-F400 WeakPolarHBondContact O-CB 3.43Å; K397-F400 PolarHBondContact O-N 3.06Å; K397-Y401 HydrophobicContact CB-CD2 4.39Å; K397-Y401 HydrophobicContact CB-CE2 4.15Å; K397-Y401 HydrophobicContact CD-CE2 4.14Å; K397-Y401 HydrophobicContact CG-CD2 4.22Å; K397-Y401 HydrophobicContact CG-CE2 3.92Å; K397-Y401 WeakPolarHBondContact O-CD2 3.22Å; K397-Y401 PolarHBondContact O-N 3.23Å
398	Q	96.9	Very high	96.2	Very high	89 Å²	89	29.3 Å²	29.3	42%	0.416	16%	0.158	S	C	.	.	H	α-helix	trans	-63.1	-37.3	176.5	-63.1	-55.9	-24.2	0	0	112.3	S395 Y396 F400 Y401 N402	S395-Q398 WeakPolarHBondContact O-CG 3.4Å; S395-Q398 PolarHBondContact O-N 2.82Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; Y396-Q398 PolarHBondContact O-N 3.46Å; Y396-Q398 VanDerWaalsContact O-N 3.11Å; Q398-F400 PolarHBondContact O-N 3.29Å; Q398-Y401 PolarHBondContact O-N 3.27Å; Q398-N402 WeakPolarHBondContact O-CB 3.28Å; Q398-N402 PolarHBondContact O-N 3.17Å; Q398-N402 PolarHBondContact O-ND2 2.81Å; Q398-N402 PolarHBondContact O-OD1 2.88Å
399	H	96.3	Very high	96	Very high	23 Å²	23	38.4 Å²	38.4	11%	0.106	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-36.9	175.5	-58.8	-53.3	0	0	0	112.3	W286 Y396 K397 R403 P444 D446	W286-H399 HydrophobicContact CD2-CB 4.05Å; W286-H399 HydrophobicContact CE3-CB 3.57Å; W286-H399 HydrophobicContact CZ3-CB 3.97Å; W286-H399 AromaticContact CZ3-CD2 3.9Å; Y396-H399 AromaticContact CD1-CD2 3.94Å; Y396-H399 AromaticContact CD1-NE2 3.95Å; Y396-H399 PolarHBondContact O-CD2 3.26Å; Y396-H399 PolarHBondContact O-N 2.97Å; Y396-H399 VanDerWaalsContact O-N 3.13Å; K397-H399 VanDerWaalsContact C-N 3.31Å; K397-H399 PolarHBondContact O-N 3.42Å; H399-R403 PolarHBondContact O-N 3.05Å; H399-R403 PolarHBondContact O-NH1 3.09Å; H399-P444 PolarHBondContact CE1-O 3.39Å; H399-D446 WeakPolarHBondContact CA-OD2 3.44Å; H399-D446 IonicContact CE1-OD2 3.32Å; H399-D446 IonicContact CG-OD2 3.32Å; H399-D446 VanDerWaalsContact ND1-CG 3.3Å; H399-D446 IonicContact ND1-OD2 3.59Å; H399-D446 PolarHBondContact ND1-OD2 2.84Å
400	F	95.9	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-49.9	173.4	161.3	-108	0	0	0	112.3	W286 R287 L288 L382 T385 V386 A389 K397 Q398 N402 R403 N404 A407	W286-F400 WeakPolarHBondContact O-CA 3.46Å; R287-F400 WeakPolarHBondContact O-CE2 3.28Å; L288-F400 HydrophobicContact CB-CD2 4.06Å; L288-F400 HydrophobicContact CB-CE2 4.21Å; L288-F400 HydrophobicContact CD1-CB 3.98Å; L288-F400 HydrophobicContact CD1-CD1 3.91Å; L288-F400 HydrophobicContact CD1-CD2 3.58Å; L288-F400 HydrophobicContact CD1-CE1 4.28Å; L288-F400 HydrophobicContact CD1-CE2 3.97Å; L288-F400 HydrophobicContact CD1-CG 3.53Å; L288-F400 HydrophobicContact CD1-CZ 4.3Å; L288-F400 HydrophobicContact CG-CB 4.11Å; L288-F400 HydrophobicContact CG-CD2 3.57Å; L288-F400 HydrophobicContact CG-CE2 4.15Å; L288-F400 HydrophobicContact CG-CG 3.89Å; L382-F400 HydrophobicContact CD1-CE2 4.45Å; L382-F400 HydrophobicContact CD1-CZ 4.01Å; T385-F400 HydrophobicContact CG2-CE2 3.82Å; T385-F400 HydrophobicContact CG2-CZ 3.77Å; V386-F400 HydrophobicContact CG2-CE1 3.91Å; V386-F400 HydrophobicContact CG2-CZ 4.16Å; A389-F400 HydrophobicContact CB-CD1 4.12Å; A389-F400 HydrophobicContact CB-CE1 4.39Å; K397-F400 WeakPolarHBondContact O-CB 3.43Å; K397-F400 PolarHBondContact O-N 3.06Å; Q398-F400 PolarHBondContact O-N 3.29Å; F400-N402 VanDerWaalsContact C-N 3.25Å; F400-N402 PolarHBondContact O-N 3.17Å; F400-R403 PolarHBondContact O-N 2.82Å; F400-N404 HydrophobicContact CE2-CB 4.2Å; F400-N404 PolarHBondContact O-N 3.49Å; F400-A407 HydrophobicContact CE1-CB 3.66Å; F400-A407 HydrophobicContact CE2-CB 4.49Å; F400-A407 HydrophobicContact CZ-CB 3.56Å
401	Y	95.9	Very high	95.6	Very high	14 Å²	14	46.5 Å²	46.5	6%	0.055	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-31.2	178.1	-71.6	-54.2	0	0	0	113.5	V386 E390 K397 Q398 N404 P405 A407 R408	V386-Y401 WeakPolarHBondContact CG1-OH 3.45Å; V386-Y401 HydrophobicContact CG2-CE1 4.31Å; E390-Y401 WeakPolarHBondContact OE1-CE2 3.41Å; E390-Y401 PolarHBondContact OE1-OH 3.45Å; K397-Y401 HydrophobicContact CB-CD2 4.39Å; K397-Y401 HydrophobicContact CB-CE2 4.15Å; K397-Y401 HydrophobicContact CD-CE2 4.14Å; K397-Y401 HydrophobicContact CG-CD2 4.22Å; K397-Y401 HydrophobicContact CG-CE2 3.92Å; K397-Y401 WeakPolarHBondContact O-CD2 3.22Å; K397-Y401 PolarHBondContact O-N 3.23Å; Q398-Y401 PolarHBondContact O-N 3.27Å; Y401-N404 CarbonylContact O-C 3.58Å; Y401-N404 VanDerWaalsContact O-C 3.29Å; Y401-P405 VanDerWaalsContact O-CA 3.29Å; Y401-P405 WeakPolarHBondContact O-CA 3.39Å; Y401-P405 VanDerWaalsContact O-N 3.17Å; Y401-A407 HydrophobicContact CD1-CB 3.86Å; Y401-A407 HydrophobicContact CE1-CB 3.96Å; Y401-R408 HydrophobicContact CD1-CB 4.4Å; Y401-R408 HydrophobicContact CD1-CG 3.57Å; Y401-R408 HydrophobicContact CE1-CG 4.29Å; Y401-R408 HydrophobicContact CG-CG 3.86Å; Y401-R408 PolarHBondContact O-NH1 3.15Å
402	N	94.6	Very high	95.5	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-44.7	176	-71.5	-15.8	0	0	0	111.3	Q398 F400 R408 D446 H451 Y491	Q398-N402 WeakPolarHBondContact O-CB 3.28Å; Q398-N402 PolarHBondContact O-N 3.17Å; Q398-N402 PolarHBondContact O-ND2 2.81Å; Q398-N402 PolarHBondContact O-OD1 2.88Å; F400-N402 VanDerWaalsContact C-N 3.25Å; F400-N402 PolarHBondContact O-N 3.17Å; N402-R408 PolarHBondContact OD1-NH2 2.84Å; N402-D446 PolarHBondContact ND2-OD2 3.41Å; N402-H451 PolarHBondContact ND2-NE2 2.81Å; N402-Y491 VanDerWaalsContact C-CE2 3.42Å; N402-Y491 HydrophobicContact CB-CE2 3.82Å; N402-Y491 WeakPolarHBondContact CB-OH 3.5Å; N402-Y491 VanDerWaalsContact O-CD2 3.22Å; N402-Y491 WeakPolarHBondContact O-CD2 3.39Å; N402-Y491 WeakPolarHBondContact O-CE2 3.2Å
403	R	93.7	Very high	95.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-78.7	-24.1	-179.4	-72.6	161.7	-177.5	66.8	13.8	113.3	R287 H399 F400 D446 G488 Y491 E493 N503	R287-R403 HydrophobicContact CG-CB 4.18Å; H399-R403 PolarHBondContact O-N 3.05Å; H399-R403 PolarHBondContact O-NH1 3.09Å; F400-R403 PolarHBondContact O-N 2.82Å; R403-D446 IonicContact CZ-OD1 2.69Å; R403-D446 IonicContact CZ-OD2 3.01Å; R403-D446 IonicContact NH1-OD1 3.12Å; R403-D446 PolarHBondContact NH1-OD1 2.8Å; R403-D446 IonicContact NH1-OD2 3.22Å; R403-D446 PolarHBondContact NH1-OD2 3.14Å; R403-D446 IonicContact NH2-OD1 3.94Å; R403-D446 PolarHBondContact NH2-OD1 3.11Å; R403-G488 PolarHBondContact O-N 2.82Å; R403-Y491 HydrophobicContact CG-CD1 3.74Å; R403-Y491 HydrophobicContact CG-CD2 4.37Å; R403-Y491 HydrophobicContact CG-CE1 3.58Å; R403-Y491 HydrophobicContact CG-CE2 4.24Å; R403-Y491 HydrophobicContact CG-CG 4.13Å; R403-Y491 PolarHBondContact NH1-OH 2.98Å; R403-E493 IonicContact NH2-OE2 2.92Å; R403-N503 WeakPolarHBondContact CD-O 3.4Å; R403-N503 PolarHBondContact NE-O 3.23Å; R403-N503 VanDerWaalsContact NH2-CG 3.27Å; R403-N503 PolarHBondContact NH2-ND2 3.2Å; R403-N503 VanDerWaalsContact NH2-ND2 3.1Å; R403-N503 PolarHBondContact NH2-OD1 2.55Å
404	N	92.4	Very high	95.3	Very high	25 Å²	25	56.9 Å²	56.9	13%	0.134	30%	0.299	C	S	.	.			trans	-130	70.4	176.8	-163.6	-11.6	0	0	0	111.9	L382 F400 Y401 P406 A407	L382-N404 WeakPolarHBondContact CD1-ND2 3.35Å; F400-N404 HydrophobicContact CE2-CB 4.2Å; F400-N404 PolarHBondContact O-N 3.49Å; Y401-N404 CarbonylContact O-C 3.58Å; Y401-N404 VanDerWaalsContact O-C 3.29Å; N404-P406 VanDerWaalsContact C-N 3.33Å; N404-P406 WeakPolarHBondContact OD1-CD 3.18Å; N404-A407 HydrophobicContact CB-CB 4.44Å; N404-A407 WeakPolarHBondContact O-CB 3.39Å; N404-A407 PolarHBondContact O-N 3.1Å
405	P	92.5	Very high	95.3	Very high	24 Å²	24	55.6 Å²	55.6	16%	0.156	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-53.1	-35.9	-177.8	-26.2	34.5	0	0	0	116.1	Y401 A407 R408	Y401-P405 VanDerWaalsContact O-CA 3.29Å; Y401-P405 WeakPolarHBondContact O-CA 3.39Å; Y401-P405 VanDerWaalsContact O-N 3.17Å; P405-A407 PolarHBondContact O-N 3.18Å; P405-A407 VanDerWaalsContact O-N 3.14Å; P405-R408 WeakPolarHBondContact O-CB 3.28Å; P405-R408 PolarHBondContact O-N 2.86Å; P405-R408 VanDerWaalsContact O-N 3.12Å
406	P	91.3	Very high	95.3	Very high	49 Å²	49	55.3 Å²	55.3	32%	0.318	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-53.5	-31	173.8	-29.3	37	0	0	0	114	L382 N404 R408 K409	L382-P406 HydrophobicContact CD2-CB 4.44Å; N404-P406 VanDerWaalsContact C-N 3.33Å; N404-P406 WeakPolarHBondContact OD1-CD 3.18Å; P406-R408 PolarHBondContact O-N 3.16Å; P406-R408 VanDerWaalsContact O-N 3.13Å; P406-K409 PolarHBondContact O-N 3.15Å
407	A	94.3	Very high	95.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.5	179.7	0	0	0	0	0	113.4	L382 V386 F400 Y401 N404 P405 K409 E410	L382-A407 HydrophobicContact CD1-CB 3.86Å; L382-A407 HydrophobicContact CD2-CB 4.25Å; L382-A407 HydrophobicContact CG-CB 4.16Å; V386-A407 HydrophobicContact CG2-CB 3.89Å; F400-A407 HydrophobicContact CE1-CB 3.66Å; F400-A407 HydrophobicContact CE2-CB 4.49Å; F400-A407 HydrophobicContact CZ-CB 3.56Å; Y401-A407 HydrophobicContact CD1-CB 3.86Å; Y401-A407 HydrophobicContact CE1-CB 3.96Å; N404-A407 HydrophobicContact CB-CB 4.44Å; N404-A407 WeakPolarHBondContact O-CB 3.39Å; N404-A407 PolarHBondContact O-N 3.1Å; P405-A407 PolarHBondContact O-N 3.18Å; P405-A407 VanDerWaalsContact O-N 3.14Å; A407-K409 PolarHBondContact O-N 3.17Å; A407-E410 PolarHBondContact O-N 3.02Å
408	R	94.6	Very high	95.3	Very high	114 Å²	114	58.6 Å²	58.6	43%	0.43	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-65.2	-24	176.7	-66.5	-177.5	173.2	114.2	3	113.3	Y401 N402 P405 P406	Y401-R408 HydrophobicContact CD1-CB 4.4Å; Y401-R408 HydrophobicContact CD1-CG 3.57Å; Y401-R408 HydrophobicContact CE1-CG 4.29Å; Y401-R408 HydrophobicContact CG-CG 3.86Å; Y401-R408 PolarHBondContact O-NH1 3.15Å; N402-R408 PolarHBondContact OD1-NH2 2.84Å; P405-R408 WeakPolarHBondContact O-CB 3.28Å; P405-R408 PolarHBondContact O-N 2.86Å; P405-R408 VanDerWaalsContact O-N 3.12Å; P406-R408 PolarHBondContact O-N 3.16Å; P406-R408 VanDerWaalsContact O-N 3.13Å
409	K	93.9	Very high	95.3	Very high	192 Å²	192	57.4 Å²	57.4	84%	0.835	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-97.8	-5.1	-178	-61.6	-179.5	-176.9	174.8	0	112.4	P406 A407	P406-K409 PolarHBondContact O-N 3.15Å; A407-K409 PolarHBondContact O-N 3.17Å
410	E	94.6	Very high	95.4	Very high	75 Å²	75	61.6 Å²	61.6	35%	0.35	30%	0.304	S	S	.	.			trans	-69	135.3	-179.5	-76.3	-60.3	157.4	0	0	111.4	L382 V386 A407 Y412	L382-E410 HydrophobicContact CB-CG 4.26Å; L382-E410 HydrophobicContact CD2-CG 3.61Å; L382-E410 HydrophobicContact CG-CG 3.73Å; V386-E410 HydrophobicContact CG2-CB 4.24Å; A407-E410 PolarHBondContact O-N 3.02Å; E410-Y412 WeakPolarHBondContact O-CD1 3.42Å; E410-Y412 PolarHBondContact O-N 3.44Å
411	N	94.8	Very high	95.5	Very high	124 Å²	124	62.8 Å²	62.8	66%	0.663	31%	0.31	S	S	*	.			trans	-86.8	94.8	173.7	-177.8	3.8	0	0	0	109.6	Q383 G413	Q383-N411 WeakPolarHBondContact CG-O 3.42Å; Q383-N411 PolarHBondContact NE2-O 2.89Å; N411-G413 VanDerWaalsContact C-N 3.33Å; N411-G413 PolarHBondContact OD1-N 2.82Å
412	Y	95.4	Very high	95.6	Very high	73 Å²	73	65.1 Å²	65.1	29%	0.286	32%	0.319	S	S	.	.			trans	-85.5	-0	-178.1	58.1	-94.9	0	0	0	114.3	V386 R387 E390 E410 I415	V386-Y412 HydrophobicContact CB-CD1 4.39Å; V386-Y412 HydrophobicContact CG1-CD1 3.22Å; V386-Y412 HydrophobicContact CG1-CE1 3.87Å; V386-Y412 HydrophobicContact CG1-CG 3.59Å; R387-Y412 WeakPolarHBondContact CD-O 3.49Å; R387-Y412 WeakPolarHBondContact CG-O 3.49Å; R387-Y412 PolarHBondContact NH1-O 3.25Å; E390-Y412 HydrophobicContact CG-CE1 4.22Å; E390-Y412 HydrophobicContact CG-CE2 4.06Å; E410-Y412 WeakPolarHBondContact O-CD1 3.42Å; E410-Y412 PolarHBondContact O-N 3.44Å; Y412-I415 HydrophobicContact CD2-CG2 4.07Å; Y412-I415 HydrophobicContact CE2-CD1 4.07Å; Y412-I415 HydrophobicContact CE2-CG1 4.4Å; Y412-I415 HydrophobicContact CE2-CG2 4.43Å
413	G	95.9	Very high	95.8	Very high	38 Å²	38	69 Å²	69	39%	0.392	34%	0.339	S	S	.	.			trans	69.7	-166.5	177.8	0	0	0	0	0	114.6	N411	N411-G413 VanDerWaalsContact C-N 3.33Å; N411-G413 PolarHBondContact OD1-N 2.82Å
414	D	96.6	Very high	96	Very high	111 Å²	111	77 Å²	77	59%	0.594	37%	0.374	S	S	*	.			trans	-77.9	131.9	-178.5	-178.2	22.3	0	0	0	112	R387 L416	R387-D414 PolarHBondContact NH1-O 3.29Å; R387-D414 PolarHBondContact NH2-O 3.41Å; D414-L416 VanDerWaalsContact OD1-CB 3.24Å; D414-L416 WeakPolarHBondContact OD1-CB 3.33Å; D414-L416 PolarHBondContact OD1-N 3.31Å
415	I	97.8	Very high	96.3	Very high	14 Å²	14	76.8 Å²	76.8	7%	0.072	37%	0.373	C	S	.	.			trans	-119.9	2.5	179.2	58.7	171.5	0	0	0	112.8	R387 E390 V391 Y412 Q417 R418 E419	R387-I415 HydrophobicContact CB-CG2 4.32Å; R387-I415 HydrophobicContact CG-CG2 4.23Å; E390-I415 HydrophobicContact CB-CD1 3.56Å; E390-I415 HydrophobicContact CG-CD1 4.45Å; V391-I415 HydrophobicContact CG2-CB 3.94Å; V391-I415 HydrophobicContact CG2-CD1 4.07Å; V391-I415 HydrophobicContact CG2-CG2 4.28Å; Y412-I415 HydrophobicContact CD2-CG2 4.07Å; Y412-I415 HydrophobicContact CE2-CD1 4.07Å; Y412-I415 HydrophobicContact CE2-CG1 4.4Å; Y412-I415 HydrophobicContact CE2-CG2 4.43Å; I415-Q417 VanDerWaalsContact C-N 3.26Å; I415-Q417 PolarHBondContact O-N 3.29Å; I415-Q417 VanDerWaalsContact O-N 3.14Å; I415-R418 WeakPolarHBondContact O-CA 3.25Å; I415-R418 WeakPolarHBondContact O-CB 3.32Å; I415-R418 PolarHBondContact O-N 3.29Å; I415-E419 HydrophobicContact CD1-CG 4.45Å; I415-E419 HydrophobicContact CG1-CG 4.42Å; I415-E419 PolarHBondContact O-N 3.48Å; I415-E419 VanDerWaalsContact O-N 3.08Å
416	L	97.6	Very high	96.6	Very high	83 Å²	83	84.5 Å²	84.5	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-54.5	-40.8	-173.5	179.1	62.5	0	0	0	112.8	D414 R418 E419 Q420	D414-L416 VanDerWaalsContact OD1-CB 3.24Å; D414-L416 WeakPolarHBondContact OD1-CB 3.33Å; D414-L416 PolarHBondContact OD1-N 3.31Å; L416-R418 VanDerWaalsContact C-N 3.26Å; L416-R418 PolarHBondContact O-N 3.2Å; L416-E419 PolarHBondContact O-N 2.91Å; L416-Q420 HydrophobicContact CD1-CG 4.28Å; L416-Q420 HydrophobicContact CG-CG 4.45Å; L416-Q420 WeakPolarHBondContact O-CB 3.5Å; L416-Q420 VanDerWaalsContact O-CG 3.29Å; L416-Q420 WeakPolarHBondContact O-CG 3.43Å; L416-Q420 PolarHBondContact O-N 3.03Å
417	Q	97.1	Very high	96.9	Very high	133 Å²	133	83.3 Å²	83.3	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-62.5	-34.1	177.6	-66	-175.6	8.5	0	0	112.7	I415 L421	I415-Q417 VanDerWaalsContact C-N 3.26Å; I415-Q417 PolarHBondContact O-N 3.29Å; I415-Q417 VanDerWaalsContact O-N 3.14Å; Q417-L421 WeakPolarHBondContact O-CB 3.4Å; Q417-L421 PolarHBondContact O-N 3.23Å
418	R	98.2	Very high	97.1	Very high	27 Å²	27	88.1 Å²	88.1	10%	0.102	42%	0.417	C	S	.	.	H	α-helix	trans	-76	-37.9	179	-62.2	-60.7	104	173.9	7.2	111.1	G331 Y333 D334 V391 I415 L416 L421 R422	G331-R418 PolarHBondContact O-NH1 3.41Å; Y333-R418 PolarHBondContact O-NH1 3.47Å; D334-R418 HydrophobicContact CB-CG 4.34Å; V391-R418 HydrophobicContact CG1-CB 4Å; V391-R418 HydrophobicContact CG2-CB 3.78Å; I415-R418 WeakPolarHBondContact O-CA 3.25Å; I415-R418 WeakPolarHBondContact O-CB 3.32Å; I415-R418 PolarHBondContact O-N 3.29Å; L416-R418 VanDerWaalsContact C-N 3.26Å; L416-R418 PolarHBondContact O-N 3.2Å; R418-L421 WeakPolarHBondContact O-CB 3.33Å; R418-L421 PolarHBondContact O-N 3.22Å; R418-R422 PolarHBondContact O-N 2.86Å
419	E	97.9	Very high	97.3	Very high	63 Å²	63	85.7 Å²	85.7	29%	0.294	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-47	172.6	-63.2	-176.6	130.6	0	0	111.5	V391 I415 L416 L421 R422 D423	V391-E419 HydrophobicContact CG2-CG 4.5Å; I415-E419 HydrophobicContact CD1-CG 4.45Å; I415-E419 HydrophobicContact CG1-CG 4.42Å; I415-E419 PolarHBondContact O-N 3.48Å; I415-E419 VanDerWaalsContact O-N 3.08Å; L416-E419 PolarHBondContact O-N 2.91Å; E419-L421 VanDerWaalsContact C-N 3.27Å; E419-L421 PolarHBondContact O-N 3.05Å; E419-R422 WeakPolarHBondContact O-CB 3.2Å; E419-R422 PolarHBondContact O-N 2.77Å; E419-R422 VanDerWaalsContact O-N 3.14Å; E419-D423 VanDerWaalsContact O-CG 3.31Å; E419-D423 PolarHBondContact O-N 3.41Å
420	Q	98.3	Very high	97.6	Very high	112 Å²	112	76.8 Å²	76.8	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-37.4	175.6	-73.1	175.5	-5.8	0	0	112.3	L416 D423 K424	L416-Q420 HydrophobicContact CD1-CG 4.28Å; L416-Q420 HydrophobicContact CG-CG 4.45Å; L416-Q420 WeakPolarHBondContact O-CB 3.5Å; L416-Q420 VanDerWaalsContact O-CG 3.29Å; L416-Q420 WeakPolarHBondContact O-CG 3.43Å; L416-Q420 PolarHBondContact O-N 3.03Å; Q420-D423 PolarHBondContact O-N 2.96Å; Q420-K424 WeakPolarHBondContact O-CB 3.24Å; Q420-K424 PolarHBondContact O-N 3.42Å
421	L	98.4	Very high	97.7	Very high	24 Å²	24	78.8 Å²	78.8	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-47.3	174.2	176.4	66.6	0	0	0	111.4	Q417 R418 E419 D423 K424 L425	Q417-L421 WeakPolarHBondContact O-CB 3.4Å; Q417-L421 PolarHBondContact O-N 3.23Å; R418-L421 WeakPolarHBondContact O-CB 3.33Å; R418-L421 PolarHBondContact O-N 3.22Å; E419-L421 VanDerWaalsContact C-N 3.27Å; E419-L421 PolarHBondContact O-N 3.05Å; L421-D423 VanDerWaalsContact C-N 3.29Å; L421-D423 PolarHBondContact O-N 2.82Å; L421-K424 PolarHBondContact O-N 3.01Å; L421-L425 HydrophobicContact CD1-CD1 3.83Å; L421-L425 HydrophobicContact CD1-CG 4.06Å; L421-L425 HydrophobicContact CG-CD1 4.04Å; L421-L425 WeakPolarHBondContact O-CB 3.33Å; L421-L425 WeakPolarHBondContact O-CG 3.42Å; L421-L425 PolarHBondContact O-N 3.05Å
422	R	98.4	Very high	97.9	Very high	64 Å²	64	76.2 Å²	76.2	24%	0.242	37%	0.369	C	S	.	.	H	α-helix	trans	-56.1	-45.1	176.2	-177.5	-168.8	69.5	-167.5	-3.8	111.2	V391 W392 R418 E419 K426 C427	V391-R422 WeakPolarHBondContact O-CD 3.47Å; V391-R422 PolarHBondContact O-NH1 3.02Å; W392-R422 HydrophobicContact CE3-CG 4.35Å; W392-R422 HydrophobicContact CH2-CB 4.01Å; W392-R422 HydrophobicContact CH2-CG 4.11Å; W392-R422 HydrophobicContact CZ3-CB 4.19Å; W392-R422 HydrophobicContact CZ3-CG 3.76Å; R418-R422 PolarHBondContact O-N 2.86Å; E419-R422 WeakPolarHBondContact O-CB 3.2Å; E419-R422 PolarHBondContact O-N 2.77Å; E419-R422 VanDerWaalsContact O-N 3.14Å; R422-K426 PolarHBondContact O-N 2.95Å; R422-K426 VanDerWaalsContact O-N 3.16Å; R422-C427 HydrophobicContact CG-CB 3.9Å; R422-C427 PolarHBondContact O-N 3.1Å; R422-C427 PolarHBondContact O-SG 2.79Å; R422-C427 VanDerWaalsContact O-SG 3.33Å
423	D	98.1	Very high	98.1	Very high	101 Å²	101	72.7 Å²	72.7	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-42.6	-179.5	-64.1	-8.9	0	0	0	111.5	E419 Q420 L421 L425 K426	E419-D423 VanDerWaalsContact O-CG 3.31Å; E419-D423 PolarHBondContact O-N 3.41Å; Q420-D423 PolarHBondContact O-N 2.96Å; L421-D423 VanDerWaalsContact C-N 3.29Å; L421-D423 PolarHBondContact O-N 2.82Å; D423-L425 VanDerWaalsContact C-N 3.34Å; D423-L425 PolarHBondContact O-N 2.87Å; D423-K426 PolarHBondContact O-N 2.79Å; D423-K426 VanDerWaalsContact O-N 3.08Å
424	K	98.3	Very high	98.2	Very high	170 Å²	170	71.4 Å²	71.4	74%	0.739	34%	0.34	S	S	*	.	H	α-helix	trans	-59.7	-42.6	176.3	179.6	-176.1	176.4	-173.3	0	112.1	Q420 L421 K426	Q420-K424 WeakPolarHBondContact O-CB 3.24Å; Q420-K424 PolarHBondContact O-N 3.42Å; L421-K424 PolarHBondContact O-N 3.01Å; K424-K426 PolarHBondContact O-N 3.22Å
425	L	98.3	Very high	98.2	Very high	20 Å²	20	73.8 Å²	73.8	11%	0.105	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6	178.7	-67.3	179.7	0	0	0	112.9	Y329 L330 C354 L421 D423 C427	Y329-L425 HydrophobicContact CD1-CD2 4.48Å; Y329-L425 HydrophobicContact CD2-CD2 4.37Å; Y329-L425 HydrophobicContact CE1-CD2 3.86Å; Y329-L425 HydrophobicContact CE2-CD2 3.73Å; Y329-L425 VanDerWaalsContact CZ-CD2 3.44Å; L330-L425 HydrophobicContact CD2-CD1 4.34Å; C354-L425 HydrophobicContact CB-CB 4.34Å; C354-L425 HydrophobicContact CB-CD1 4.2Å; L421-L425 HydrophobicContact CD1-CD1 3.83Å; L421-L425 HydrophobicContact CD1-CG 4.06Å; L421-L425 HydrophobicContact CG-CD1 4.04Å; L421-L425 WeakPolarHBondContact O-CB 3.33Å; L421-L425 WeakPolarHBondContact O-CG 3.42Å; L421-L425 PolarHBondContact O-N 3.05Å; D423-L425 VanDerWaalsContact C-N 3.34Å; D423-L425 PolarHBondContact O-N 2.87Å; L425-C427 VanDerWaalsContact C-N 3.26Å; L425-C427 WeakPolarHBondContact CB-SG 3.36Å; L425-C427 PolarHBondContact O-N 3.34Å
426	K	98.4	Very high	98.2	Very high	186 Å²	186	76.8 Å²	76.8	81%	0.809	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	44.5	-178.1	-56.3	-179.1	-179.3	179.8	0	111.9	R422 D423 K424	R422-K426 PolarHBondContact O-N 2.95Å; R422-K426 VanDerWaalsContact O-N 3.16Å; D423-K426 PolarHBondContact O-N 2.79Å; D423-K426 VanDerWaalsContact O-N 3.08Å; K424-K426 PolarHBondContact O-N 3.22Å
427	C	98.6	Very high	98.2	Very high	24 Å²	24	73.7 Å²	73.7	16%	0.162	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-65	148.8	-177.2	-47.9	0	0	0	0	111	Q353 C354 W392 R422 L425	Q353-C427 HydrophobicContact CB-CB 4.12Å; Q353-C427 CarbonylContact O-C 3.34Å; Q353-C427 VanDerWaalsContact O-CA 3.3Å; Q353-C427 WeakPolarHBondContact O-CA 3.41Å; C354-C427 HydrophobicContact CB-CB 4.04Å; C354-C427 WeakPolarHBondContact CB-SG 3.02Å; C354-C427 WeakPolarHBondContact SG-CB 3.17Å; C354-C427 CovalentContact SG-SG 2.03Å; C354-C427 PolarHBondContact SG-SG 3.03Å; W392-C427 HydrophobicContact CZ3-CB 4.13Å; R422-C427 HydrophobicContact CG-CB 3.9Å; R422-C427 PolarHBondContact O-N 3.1Å; R422-C427 PolarHBondContact O-SG 2.79Å; R422-C427 VanDerWaalsContact O-SG 3.33Å; L425-C427 VanDerWaalsContact C-N 3.26Å; L425-C427 WeakPolarHBondContact CB-SG 3.36Å; L425-C427 PolarHBondContact O-N 3.34Å
428	K	98.8	Very high	98.2	Very high	103 Å²	103	68.3 Å²	68.3	45%	0.448	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-71.6	166.8	175.7	-58.9	-177.8	-176.2	-67.2	0	110.5	Q353 W432	Q353-K428 PolarHBondContact O-N 3.24Å; Q353-K428 PolarHBondContact OE1-O 2.9Å; K428-W432 HydrophobicContact CB-CB 4.08Å; K428-W432 HydrophobicContact CB-CD2 3.78Å; K428-W432 HydrophobicContact CB-CE3 3.71Å; K428-W432 HydrophobicContact CB-CG 3.91Å; K428-W432 HydrophobicContact CB-CZ3 4.44Å; K428-W432 HydrophobicContact CD-CD2 3.23Å; K428-W432 HydrophobicContact CD-CE3 3.61Å; K428-W432 HydrophobicContact CD-CG 3.7Å; K428-W432 HydrophobicContact CD-CH2 3.86Å; K428-W432 HydrophobicContact CD-CZ2 3.51Å; K428-W432 HydrophobicContact CD-CZ3 3.91Å; K428-W432 HydrophobicContact CG-CD2 4.14Å; K428-W432 HydrophobicContact CG-CE3 4.3Å; K428-W432 HydrophobicContact CG-CG 4.39Å
429	S	98.6	Very high	98	Very high	63 Å²	63	70.9 Å²	70.9	44%	0.441	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-77	164	179.1	63.4	0	0	0	0	112.9	Q353 E431 W432 Y433	Q353-S429 VanDerWaalsContact OE1-C 3.29Å; S429-E431 VanDerWaalsContact C-N 3.28Å; S429-E431 PolarHBondContact O-N 3.41Å; S429-W432 WeakPolarHBondContact O-CB 3.39Å; S429-W432 PolarHBondContact O-N 3.34Å; S429-W432 VanDerWaalsContact O-N 3.15Å; S429-W432 PolarHBondContact OG-N 3.27Å; S429-Y433 PolarHBondContact O-N 2.99Å; S429-Y433 VanDerWaalsContact O-N 3.09Å
430	F	98.6	Very high	97.7	Very high	5 Å²	5	72.7 Å²	72.7	2%	0.022	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-31.7	171.1	-158.8	-110.4	0	0	0	113.2	F284 W286 F349 W392 M393 Y396 W432 Y433 L434	F284-F430 HydrophobicContact CE2-CZ 4.35Å; F284-F430 HydrophobicContact CZ-CE1 4.48Å; F284-F430 AromaticContact CZ-CZ 3.73Å; F284-F430 HydrophobicContact CZ-CZ 3.73Å; W286-F430 HydrophobicContact CH2-CE1 4.35Å; W286-F430 HydrophobicContact CZ3-CE1 4.42Å; F349-F430 AromaticContact CD1-CE2 3.96Å; F349-F430 HydrophobicContact CD1-CE2 3.96Å; F349-F430 HydrophobicContact CD2-CE2 4.13Å; F349-F430 AromaticContact CE1-CE2 3.93Å; F349-F430 HydrophobicContact CE1-CE2 3.93Å; F349-F430 HydrophobicContact CE1-CZ 4.31Å; F349-F430 HydrophobicContact CE2-CE2 4.09Å; F349-F430 HydrophobicContact CG-CE2 4.08Å; F349-F430 AromaticContact CZ-CE2 3.99Å; F349-F430 HydrophobicContact CZ-CE2 3.99Å; F349-F430 HydrophobicContact CZ-CZ 4.16Å; W392-F430 WeakPolarHBondContact O-CB 3.09Å; W392-F430 VanDerWaalsContact O-CD2 3.27Å; W392-F430 WeakPolarHBondContact O-CD2 3.38Å; M393-F430 HydrophobicContact CB-CD1 4.3Å; M393-F430 HydrophobicContact CB-CD2 4.41Å; M393-F430 HydrophobicContact CB-CE1 4.45Å; M393-F430 HydrophobicContact CB-CG 4.26Å; M393-F430 HydrophobicContact CE-CE1 3.98Å; M393-F430 HydrophobicContact CE-CZ 4.05Å; M393-F430 HydrophobicContact CG-CD1 4.45Å; M393-F430 HydrophobicContact CG-CD2 4.11Å; M393-F430 HydrophobicContact CG-CE1 4.2Å; M393-F430 HydrophobicContact CG-CE2 3.85Å; M393-F430 HydrophobicContact CG-CG 4.39Å; M393-F430 HydrophobicContact CG-CZ 3.88Å; M393-F430 WeakPolarHBondContact O-CB 3.48Å; Y396-F430 HydrophobicContact CD2-CB 4.19Å; Y396-F430 AromaticContact CD2-CD1 3.73Å; Y396-F430 HydrophobicContact CD2-CD1 3.73Å; Y396-F430 HydrophobicContact CD2-CG 4.45Å; Y396-F430 AromaticContact CG-CD1 3.77Å; Y396-F430 HydrophobicContact CG-CD1 3.77Å; Y396-F430 HydrophobicContact CG-CE1 4.35Å; F430-W432 VanDerWaalsContact C-N 3.29Å; F430-W432 PolarHBondContact O-N 3.22Å; F430-Y433 HydrophobicContact CD2-CD1 4.08Å; F430-Y433 HydrophobicContact CD2-CG 4.4Å; F430-Y433 AromaticContact CE2-CD1 3.74Å; F430-Y433 HydrophobicContact CE2-CD1 3.74Å; F430-Y433 HydrophobicContact CE2-CE1 4.1Å; F430-Y433 HydrophobicContact CE2-CG 4.4Å; F430-Y433 HydrophobicContact CZ-CD1 4.12Å; F430-Y433 HydrophobicContact CZ-CE1 4.31Å; F430-Y433 WeakPolarHBondContact O-CA 3.12Å; F430-Y433 WeakPolarHBondContact O-CB 3.23Å; F430-Y433 PolarHBondContact O-N 2.73Å; F430-Y433 VanDerWaalsContact O-N 3.09Å; F430-L434 HydrophobicContact CD1-CD1 3.77Å; F430-L434 HydrophobicContact CD1-CG 3.95Å; F430-L434 HydrophobicContact CE1-CD1 3.8Å; F430-L434 HydrophobicContact CE1-CD2 3.93Å; F430-L434 HydrophobicContact CE1-CG 3.85Å; F430-L434 HydrophobicContact CZ-CD2 4.35Å; F430-L434 WeakPolarHBondContact O-CG 3.12Å; F430-L434 PolarHBondContact O-N 2.72Å
431	E	98.4	Very high	97.4	Very high	116 Å²	116	68.4 Å²	68.4	54%	0.542	33%	0.331	S	S	.	.	H	α-helix	trans	-58.2	-44.2	171.1	-178.2	-177.4	-178.1	0	0	110.9	Y396 S429 Y433 L434 K435	Y396-E431 HydrophobicContact CE2-CB 3.88Å; S429-E431 VanDerWaalsContact C-N 3.28Å; S429-E431 PolarHBondContact O-N 3.41Å; E431-Y433 VanDerWaalsContact C-N 3.3Å; E431-Y433 PolarHBondContact O-N 3.46Å; E431-L434 PolarHBondContact O-N 3.44Å; E431-K435 WeakPolarHBondContact O-CB 3.45Å; E431-K435 PolarHBondContact O-N 3.09Å
432	W	98.6	Very high	97.2	Very high	70 Å²	70	68.5 Å²	68.5	27%	0.265	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-41.6	174.4	175	91.7	0	0	0	111	W352 K428 S429 F430 K435 N436 I437	W352-W432 VanDerWaalsContact O-CZ3 3.3Å; W352-W432 WeakPolarHBondContact O-CZ3 3.33Å; K428-W432 HydrophobicContact CB-CB 4.08Å; K428-W432 HydrophobicContact CB-CD2 3.78Å; K428-W432 HydrophobicContact CB-CE3 3.71Å; K428-W432 HydrophobicContact CB-CG 3.91Å; K428-W432 HydrophobicContact CB-CZ3 4.44Å; K428-W432 HydrophobicContact CD-CD2 3.23Å; K428-W432 HydrophobicContact CD-CE3 3.61Å; K428-W432 HydrophobicContact CD-CG 3.7Å; K428-W432 HydrophobicContact CD-CH2 3.86Å; K428-W432 HydrophobicContact CD-CZ2 3.51Å; K428-W432 HydrophobicContact CD-CZ3 3.91Å; K428-W432 HydrophobicContact CG-CD2 4.14Å; K428-W432 HydrophobicContact CG-CE3 4.3Å; K428-W432 HydrophobicContact CG-CG 4.39Å; S429-W432 WeakPolarHBondContact O-CB 3.39Å; S429-W432 PolarHBondContact O-N 3.34Å; S429-W432 VanDerWaalsContact O-N 3.15Å; S429-W432 PolarHBondContact OG-N 3.27Å; F430-W432 VanDerWaalsContact C-N 3.29Å; F430-W432 PolarHBondContact O-N 3.22Å; W432-K435 PolarHBondContact O-N 3.15Å; W432-N436 HydrophobicContact CD2-CB 4.32Å; W432-N436 HydrophobicContact CZ2-CB 4.06Å; W432-N436 PolarHBondContact NE1-ND2 3.26Å; W432-N436 VanDerWaalsContact O-CB 3.29Å; W432-N436 WeakPolarHBondContact O-CB 3.26Å; W432-N436 PolarHBondContact O-N 3.17Å; W432-N436 PolarHBondContact O-ND2 3.02Å; W432-I437 HydrophobicContact CH2-CD1 3.82Å; W432-I437 HydrophobicContact CH2-CG1 4.11Å; W432-I437 HydrophobicContact CZ3-CD1 4.14Å; W432-I437 HydrophobicContact CZ3-CG1 3.9Å
433	Y	98.8	Very high	97	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-52	176.9	170.6	-87.9	0	0	0	111.5	F284 P313 F349 W352 S429 F430 E431 K435 N436 I437 Y438	F284-Y433 AromaticContact CE1-CE1 3.88Å; F284-Y433 HydrophobicContact CE1-CE1 3.88Å; F284-Y433 HydrophobicContact CZ-CE1 4.36Å; P313-Y433 WeakPolarHBondContact CB-OH 3.32Å; P313-Y433 PolarHBondContact O-OH 2.91Å; F349-Y433 HydrophobicContact CD1-CE1 4.17Å; F349-Y433 HydrophobicContact CD1-CE2 4.14Å; F349-Y433 AromaticContact CD1-CZ 3.83Å; F349-Y433 HydrophobicContact CE1-CE1 4.1Å; F349-Y433 AromaticContact CE1-CZ 3.98Å; W352-Y433 HydrophobicContact CB-CD2 3.74Å; W352-Y433 HydrophobicContact CB-CE2 3.97Å; W352-Y433 AromaticContact CD1-CE2 3.7Å; W352-Y433 HydrophobicContact CG-CD2 4.23Å; W352-Y433 HydrophobicContact CG-CE2 4.03Å; S429-Y433 PolarHBondContact O-N 2.99Å; S429-Y433 VanDerWaalsContact O-N 3.09Å; F430-Y433 HydrophobicContact CD2-CD1 4.08Å; F430-Y433 HydrophobicContact CD2-CG 4.4Å; F430-Y433 AromaticContact CE2-CD1 3.74Å; F430-Y433 HydrophobicContact CE2-CD1 3.74Å; F430-Y433 HydrophobicContact CE2-CE1 4.1Å; F430-Y433 HydrophobicContact CE2-CG 4.4Å; F430-Y433 HydrophobicContact CZ-CD1 4.12Å; F430-Y433 HydrophobicContact CZ-CE1 4.31Å; F430-Y433 WeakPolarHBondContact O-CA 3.12Å; F430-Y433 WeakPolarHBondContact O-CB 3.23Å; F430-Y433 PolarHBondContact O-N 2.73Å; F430-Y433 VanDerWaalsContact O-N 3.09Å; E431-Y433 VanDerWaalsContact C-N 3.3Å; E431-Y433 PolarHBondContact O-N 3.46Å; Y433-K435 VanDerWaalsContact C-N 3.34Å; Y433-K435 PolarHBondContact O-N 3.13Å; Y433-N436 PolarHBondContact O-N 2.8Å; Y433-I437 HydrophobicContact CD2-CB 3.89Å; Y433-I437 HydrophobicContact CD2-CG1 3.9Å; Y433-I437 HydrophobicContact CD2-CG2 4.13Å; Y433-I437 HydrophobicContact CE2-CB 3.99Å; Y433-I437 HydrophobicContact CE2-CG1 4.38Å; Y433-I437 HydrophobicContact CE2-CG2 3.73Å; Y433-I437 HydrophobicContact CG-CB 4.39Å; Y433-I437 HydrophobicContact CG-CG1 4.49Å; Y433-I437 WeakPolarHBondContact O-CA 3.33Å; Y433-I437 WeakPolarHBondContact O-CB 3.45Å; Y433-I437 PolarHBondContact O-N 3.45Å; Y433-Y438 PolarHBondContact O-N 3.48Å
434	L	98.1	Very high	96.9	Very high	10 Å²	10	63.3 Å²	63.3	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-46.3	178	-67.5	172	0	0	0	111.1	F284 W286 Y396 F430 E431 N436 Y438 P439 L441 V443	F284-L434 HydrophobicContact CZ-CD2 4.48Å; W286-L434 HydrophobicContact CH2-CD1 4.15Å; W286-L434 HydrophobicContact CH2-CD2 4.44Å; Y396-L434 HydrophobicContact CD1-CD1 3.63Å; Y396-L434 HydrophobicContact CD2-CD1 4.36Å; Y396-L434 HydrophobicContact CE1-CD1 3.57Å; Y396-L434 HydrophobicContact CE2-CD1 4.31Å; Y396-L434 HydrophobicContact CG-CD1 4.03Å; F430-L434 HydrophobicContact CD1-CD1 3.77Å; F430-L434 HydrophobicContact CD1-CG 3.95Å; F430-L434 HydrophobicContact CE1-CD1 3.8Å; F430-L434 HydrophobicContact CE1-CD2 3.93Å; F430-L434 HydrophobicContact CE1-CG 3.85Å; F430-L434 HydrophobicContact CZ-CD2 4.35Å; F430-L434 WeakPolarHBondContact O-CG 3.12Å; F430-L434 PolarHBondContact O-N 2.72Å; E431-L434 PolarHBondContact O-N 3.44Å; L434-N436 PolarHBondContact O-N 2.98Å; L434-Y438 CarbonylContact O-C 3.49Å; L434-Y438 PolarHBondContact O-N 3.11Å; L434-P439 WeakPolarHBondContact O-CA 3.49Å; L434-L441 HydrophobicContact CD2-CD2 3.93Å; L434-V443 HydrophobicContact CD1-CG2 3.99Å
435	K	97.1	Very high	96.7	Very high	161 Å²	161	58.6 Å²	58.6	70%	0.7	29%	0.291	S	S	*	.	H	α-helix	trans	-68.6	-34.2	-177.5	-176.7	173.6	-178.7	173.6	0	114.5	E431 W432 Y433	E431-K435 WeakPolarHBondContact O-CB 3.45Å; E431-K435 PolarHBondContact O-N 3.09Å; W432-K435 PolarHBondContact O-N 3.15Å; Y433-K435 VanDerWaalsContact C-N 3.34Å; Y433-K435 PolarHBondContact O-N 3.13Å
436	N	97.3	Very high	96.5	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-109.7	-24	-168.5	-64.3	-96.3	0	0	0	113.7	W432 Y433 L434	W432-N436 HydrophobicContact CD2-CB 4.32Å; W432-N436 HydrophobicContact CZ2-CB 4.06Å; W432-N436 PolarHBondContact NE1-ND2 3.26Å; W432-N436 VanDerWaalsContact O-CB 3.29Å; W432-N436 WeakPolarHBondContact O-CB 3.26Å; W432-N436 PolarHBondContact O-N 3.17Å; W432-N436 PolarHBondContact O-ND2 3.02Å; Y433-N436 PolarHBondContact O-N 2.8Å; L434-N436 PolarHBondContact O-N 2.98Å
437	I	97.8	Very high	96.4	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.097	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-44.9	-175	-51	-54.6	0	0	0	110.6	P313 W352 W432 Y433 P439	P313-I437 HydrophobicContact CB-CG2 4.39Å; W352-I437 HydrophobicContact CB-CG1 4.12Å; W352-I437 HydrophobicContact CD2-CD1 3.66Å; W352-I437 HydrophobicContact CD2-CG1 3.95Å; W352-I437 HydrophobicContact CD2-CG2 3.75Å; W352-I437 HydrophobicContact CE3-CD1 3.31Å; W352-I437 HydrophobicContact CE3-CG1 4.09Å; W352-I437 HydrophobicContact CE3-CG2 4.49Å; W352-I437 HydrophobicContact CG-CD1 4.24Å; W352-I437 HydrophobicContact CG-CG1 4.02Å; W352-I437 HydrophobicContact CG-CG2 3.82Å; W352-I437 HydrophobicContact CH2-CD1 4.46Å; W352-I437 HydrophobicContact CZ2-CG2 4.22Å; W352-I437 HydrophobicContact CZ3-CD1 3.78Å; W432-I437 HydrophobicContact CH2-CD1 3.82Å; W432-I437 HydrophobicContact CH2-CG1 4.11Å; W432-I437 HydrophobicContact CZ3-CD1 4.14Å; W432-I437 HydrophobicContact CZ3-CG1 3.9Å; Y433-I437 HydrophobicContact CD2-CB 3.89Å; Y433-I437 HydrophobicContact CD2-CG1 3.9Å; Y433-I437 HydrophobicContact CD2-CG2 4.13Å; Y433-I437 HydrophobicContact CE2-CB 3.99Å; Y433-I437 HydrophobicContact CE2-CG1 4.38Å; Y433-I437 HydrophobicContact CE2-CG2 3.73Å; Y433-I437 HydrophobicContact CG-CB 4.39Å; Y433-I437 HydrophobicContact CG-CG1 4.49Å; Y433-I437 WeakPolarHBondContact O-CA 3.33Å; Y433-I437 WeakPolarHBondContact O-CB 3.45Å; Y433-I437 PolarHBondContact O-N 3.45Å; I437-P439 VanDerWaalsContact C-CD 3.41Å
438	Y	96.9	Very high	96.2	Very high	20 Å²	20	60.3 Å²	60.3	8%	0.078	30%	0.296	C	S	.	.			trans	-129.5	57.4	-176.4	-156.3	-175.7	0	0	0	113.9	F284 H293 P313 Y433 L434 D440 L441	F284-Y438 HydrophobicContact CD1-CD1 4.11Å; F284-Y438 AromaticContact CD1-CE1 3.98Å; F284-Y438 HydrophobicContact CD1-CE1 3.98Å; F284-Y438 AromaticContact CE1-CD1 3.73Å; F284-Y438 HydrophobicContact CE1-CD1 3.73Å; F284-Y438 HydrophobicContact CE1-CE1 4.03Å; H293-Y438 AromaticContact CD2-CZ 3.98Å; H293-Y438 PolarHBondContact CD2-OH 2.79Å; H293-Y438 VanDerWaalsContact CD2-OH 3.27Å; H293-Y438 AromaticContact CE1-CE2 3.86Å; H293-Y438 AromaticContact NE2-CE2 3.57Å; H293-Y438 AromaticContact NE2-CZ 3.64Å; H293-Y438 PolarHBondContact NE2-OH 2.05Å; P313-Y438 HydrophobicContact CB-CD1 3.71Å; P313-Y438 HydrophobicContact CB-CD2 4.27Å; P313-Y438 HydrophobicContact CB-CE1 4.2Å; P313-Y438 HydrophobicContact CB-CG 3.74Å; P313-Y438 HydrophobicContact CG-CD1 4.09Å; P313-Y438 HydrophobicContact CG-CD2 3.72Å; P313-Y438 HydrophobicContact CG-CE1 4.45Å; P313-Y438 HydrophobicContact CG-CE2 4.1Å; P313-Y438 HydrophobicContact CG-CG 3.7Å; Y433-Y438 PolarHBondContact O-N 3.48Å; L434-Y438 CarbonylContact O-C 3.49Å; L434-Y438 PolarHBondContact O-N 3.11Å; Y438-D440 PolarHBondContact O-N 3.24Å; Y438-L441 HydrophobicContact CD1-CB 3.78Å; Y438-L441 HydrophobicContact CD1-CD2 3.84Å; Y438-L441 HydrophobicContact CD1-CG 4.35Å; Y438-L441 HydrophobicContact CD2-CB 3.91Å; Y438-L441 HydrophobicContact CE1-CB 3.87Å; Y438-L441 HydrophobicContact CE1-CD1 4.27Å; Y438-L441 HydrophobicContact CE1-CD2 3.93Å; Y438-L441 HydrophobicContact CE1-CG 4.24Å; Y438-L441 HydrophobicContact CE2-CB 4.02Å; Y438-L441 HydrophobicContact CG-CB 3.81Å; Y438-L441 PolarHBondContact O-N 3.37Å
439	P	94.5	Very high	95.9	Very high	81 Å²	81	56.9 Å²	56.9	53%	0.526	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.1	-174.7	29.5	-36.8	0	0	0	113.8	L434 I437 L441	L434-P439 WeakPolarHBondContact O-CA 3.49Å; I437-P439 VanDerWaalsContact C-CD 3.41Å; P439-L441 VanDerWaalsContact C-N 3.3Å
440	D	90.6	Very high	95.8	Very high	100 Å²	100	57.6 Å²	57.6	54%	0.535	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-9.3	178.6	-57.6	-62.5	0	0	0	113	P296 Y438 H442	P296-D440 WeakPolarHBondContact CB-OD2 3.41Å; P296-D440 WeakPolarHBondContact CG-OD2 3.45Å; Y438-D440 PolarHBondContact O-N 3.24Å; D440-H442 PolarHBondContact O-N 3.42Å
441	L	93	Very high	95.7	Very high	22 Å²	22	58.5 Å²	58.5	12%	0.115	29%	0.287	C	S	.	.	S	Bend	trans	-75	114.6	172	179.6	65.1	0	0	0	108.8	F284 W286 L434 Y438 P439 V443	F284-L441 HydrophobicContact CE1-CD2 3.97Å; F284-L441 HydrophobicContact CE2-CD2 3.83Å; F284-L441 HydrophobicContact CZ-CD2 3.48Å; F284-L441 VanDerWaalsContact CZ-CD2 3.48Å; W286-L441 HydrophobicContact CZ2-CD2 4Å; W286-L441 HydrophobicContact CZ2-CG 4.38Å; L434-L441 HydrophobicContact CD2-CD2 3.93Å; Y438-L441 HydrophobicContact CD1-CB 3.78Å; Y438-L441 HydrophobicContact CD1-CD2 3.84Å; Y438-L441 HydrophobicContact CD1-CG 4.35Å; Y438-L441 HydrophobicContact CD2-CB 3.91Å; Y438-L441 HydrophobicContact CE1-CB 3.87Å; Y438-L441 HydrophobicContact CE1-CD1 4.27Å; Y438-L441 HydrophobicContact CE1-CD2 3.93Å; Y438-L441 HydrophobicContact CE1-CG 4.24Å; Y438-L441 HydrophobicContact CE2-CB 4.02Å; Y438-L441 HydrophobicContact CG-CB 3.81Å; Y438-L441 PolarHBondContact O-N 3.37Å; P439-L441 VanDerWaalsContact C-N 3.3Å; L441-V443 PolarHBondContact O-N 3.38Å
442	H	93.1	Very high	95.5	Very high	27 Å²	27	53.3 Å²	53.3	13%	0.125	26%	0.264	C	S	.	.			trans	-58.6	130	172.1	178.8	69.6	0	0	0	110	W286 D440 P444 R501 E507 D527	W286-H442 PolarHBondContact NE1-O 2.79Å; D440-H442 PolarHBondContact O-N 3.42Å; H442-P444 WeakPolarHBondContact O-CD 3.49Å; H442-R501 PolarHBondContact CD2-NH1 3.3Å; H442-R501 PolarHBondContact CE1-NH1 3.29Å; H442-R501 PolarHBondContact NE2-NH1 2.77Å; H442-R501 VanDerWaalsContact NE2-NH1 3.1Å; H442-E507 HydrophobicContact CB-CG 4.26Å; H442-E507 IonicContact CD2-OE1 3.17Å; H442-E507 IonicContact CD2-OE2 3.4Å; H442-E507 PolarHBondContact CD2-OE2 2.91Å; H442-E507 VanDerWaalsContact CD2-OE2 3.25Å; H442-E507 IonicContact CG-OE2 3.98Å; H442-D527 IonicContact CE1-OD1 3.7Å; H442-D527 PolarHBondContact CE1-OD1 3.32Å; H442-D527 IonicContact CG-OD2 2.7Å; H442-D527 IonicContact ND1-OD1 3.25Å; H442-D527 PolarHBondContact ND1-OD1 3.34Å; H442-D527 IonicContact ND1-OD2 3.84Å; H442-D527 PolarHBondContact ND1-OD2 3.08Å
443	V	95.4	Very high	95.4	Very high	51 Å²	51	50.7 Å²	50.7	31%	0.309	26%	0.257	S	S	.	.			trans	-101.5	114.8	176.5	-177.1	0	0	0	0	108.3	W286 Y396 L434 L441	W286-V443 HydrophobicContact CH2-CG1 4.42Å; W286-V443 HydrophobicContact CZ2-CB 4.3Å; W286-V443 HydrophobicContact CZ2-CG1 4.17Å; W286-V443 HydrophobicContact CZ2-CG2 4.12Å; Y396-V443 HydrophobicContact CD1-CG1 4.02Å; Y396-V443 HydrophobicContact CE1-CG1 3.79Å; L434-V443 HydrophobicContact CD1-CG2 3.99Å; L441-V443 PolarHBondContact O-N 3.38Å
444	P	95.2	Very high	95.3	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.026	26%	0.258	C	S	.	.			trans	-57.2	149.7	177.4	-27.4	35	0	0	0	112.7	W286 H399 H442 D446	W286-P444 HydrophobicContact CD2-CG 4.48Å; W286-P444 VanDerWaalsContact CE2-CD 3.43Å; W286-P444 HydrophobicContact CG-CG 4.22Å; H399-P444 PolarHBondContact CE1-O 3.39Å; H442-P444 WeakPolarHBondContact O-CD 3.49Å; P444-D446 WeakPolarHBondContact CB-OD1 3.14Å
445	E	95.1	Very high	95.3	Very high	72 Å²	72	54 Å²	54	34%	0.336	27%	0.269	S	S	.	.			trans	-80.1	-37.8	173.5	-59	-179.7	-136.3	0	0	110.6	R447 E493 S496	E445-R447 HydrophobicContact CB-CG 3.93Å; E445-R447 PolarHBondContact O-N 2.7Å; E445-R447 VanDerWaalsContact O-N 3.16Å; E445-R447 VanDerWaalsContact OE2-CD 3.32Å; E445-R447 WeakPolarHBondContact OE2-CD 3.37Å; E445-R447 IonicContact OE2-NE 3.49Å; E445-E493 WeakPolarHBondContact CA-OE1 3.35Å; E445-E493 WeakPolarHBondContact CB-OE1 3.45Å; E445-E493 PolarHBondContact N-OE1 3.31Å; E445-S496 VanDerWaalsContact CD-OG 3.29Å; E445-S496 WeakPolarHBondContact OE1-CB 3.25Å; E445-S496 PolarHBondContact OE1-N 3.05Å; E445-S496 PolarHBondContact OE1-OG 2.95Å; E445-S496 VanDerWaalsContact OE2-CB 3.25Å; E445-S496 WeakPolarHBondContact OE2-CB 3.36Å; E445-S496 PolarHBondContact OE2-N 3.18Å; E445-S496 PolarHBondContact OE2-OG 3.23Å
446	D	94.8	Very high	95.3	Very high	16 Å²	16	46.4 Å²	46.4	9%	0.086	24%	0.236	C	C	.	.			trans	42.4	47.3	-175.7	-71.3	-0.9	0	0	0	112.4	H399 N402 R403 P444 H451 Y491 E493	H399-D446 WeakPolarHBondContact CA-OD2 3.44Å; H399-D446 IonicContact CE1-OD2 3.32Å; H399-D446 IonicContact CG-OD2 3.32Å; H399-D446 VanDerWaalsContact ND1-CG 3.3Å; H399-D446 IonicContact ND1-OD2 3.59Å; H399-D446 PolarHBondContact ND1-OD2 2.84Å; N402-D446 PolarHBondContact ND2-OD2 3.41Å; R403-D446 IonicContact CZ-OD1 2.69Å; R403-D446 IonicContact CZ-OD2 3.01Å; R403-D446 IonicContact NH1-OD1 3.12Å; R403-D446 PolarHBondContact NH1-OD1 2.8Å; R403-D446 IonicContact NH1-OD2 3.22Å; R403-D446 PolarHBondContact NH1-OD2 3.14Å; R403-D446 IonicContact NH2-OD1 3.94Å; R403-D446 PolarHBondContact NH2-OD1 3.11Å; P444-D446 WeakPolarHBondContact CB-OD1 3.14Å; D446-H451 VanDerWaalsContact C-ND1 3.28Å; D446-H451 PolarHBondContact O-CE1 3.47Å; D446-H451 PolarHBondContact O-ND1 3Å; D446-H451 VanDerWaalsContact O-ND1 3.15Å; D446-Y491 PolarHBondContact OD1-OH 2.84Å; D446-Y491 VanDerWaalsContact OD1-OH 3.05Å; D446-Y491 PolarHBondContact OD2-OH 2.99Å; D446-E493 PolarHBondContact N-OE1 2.97Å
447	R	95.4	Very high	95.2	Very high	79 Å²	79	44.2 Å²	44.2	30%	0.298	23%	0.227	S	C	.	.			trans	-58.7	141.8	-179.3	-60.4	179.5	-63.2	167.4	1.4	110.5	E445 G449 W450 H451 Y494 T495	E445-R447 HydrophobicContact CB-CG 3.93Å; E445-R447 PolarHBondContact O-N 2.7Å; E445-R447 VanDerWaalsContact O-N 3.16Å; E445-R447 VanDerWaalsContact OE2-CD 3.32Å; E445-R447 WeakPolarHBondContact OE2-CD 3.37Å; E445-R447 IonicContact OE2-NE 3.49Å; R447-G449 PolarHBondContact O-N 3.05Å; R447-W450 HydrophobicContact CB-CB 4.16Å; R447-W450 PolarHBondContact O-N 3.09Å; R447-H451 PolarHBondContact O-ND1 3.4Å; R447-Y494 PolarHBondContact NH2-O 2.93Å; R447-T495 PolarHBondContact NH2-O 3.02Å
448	E	93.4	Very high	95.1	Very high	171 Å²	171	44.7 Å²	44.7	80%	0.799	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	128.5	179.6	-170	177.9	179.4	0	0	111	W450	E448-W450 VanDerWaalsContact C-N 3.27Å; E448-W450 PolarHBondContact O-N 3.26Å
449	G	93.1	Very high	95	Very high	30 Å²	30	45 Å²	45	31%	0.309	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	1.9	-177.6	0	0	0	0	0	115.9	R447 F582	R447-G449 PolarHBondContact O-N 3.05Å; G449-F582 WeakPolarHBondContact O-CB 3.4Å
450	W	96.3	Very high	94.9	Very high	78 Å²	78	47.1 Å²	47.1	30%	0.295	24%	0.243	S	C	.	.	S	Bend	trans	-123.1	21.3	-176	-68.5	110.6	0	0	0	113.9	R447 E448 Y494 F539 F582	R447-W450 HydrophobicContact CB-CB 4.16Å; R447-W450 PolarHBondContact O-N 3.09Å; E448-W450 VanDerWaalsContact C-N 3.27Å; E448-W450 PolarHBondContact O-N 3.26Å; W450-Y494 AromaticContact CD2-CD1 3.74Å; W450-Y494 HydrophobicContact CD2-CD1 3.74Å; W450-Y494 AromaticContact CE3-CD1 3.26Å; W450-Y494 HydrophobicContact CE3-CD1 3.26Å; W450-Y494 HydrophobicContact CE3-CE1 4.16Å; W450-Y494 AromaticContact CE3-CG 3.85Å; W450-Y494 HydrophobicContact CE3-CG 3.85Å; W450-Y494 HydrophobicContact CG-CD1 4.45Å; W450-Y494 HydrophobicContact CH2-CD1 4.08Å; W450-Y494 HydrophobicContact CH2-CE1 4.18Å; W450-Y494 AromaticContact CZ3-CD1 3.46Å; W450-Y494 HydrophobicContact CZ3-CD1 3.46Å; W450-Y494 VanDerWaalsContact CZ3-CD1 3.46Å; W450-Y494 AromaticContact CZ3-CE1 3.95Å; W450-Y494 HydrophobicContact CZ3-CE1 3.95Å; W450-Y494 HydrophobicContact CZ3-CG 4.17Å; W450-Y494 PolarHBondContact O-N 2.68Å; W450-F539 HydrophobicContact CH2-CB 3.83Å; W450-F539 HydrophobicContact CH2-CD1 4.08Å; W450-F539 HydrophobicContact CH2-CG 4.02Å; W450-F539 HydrophobicContact CZ3-CB 3.53Å; W450-F539 AromaticContact CZ3-CD1 3.78Å; W450-F539 HydrophobicContact CZ3-CD1 3.78Å; W450-F539 AromaticContact CZ3-CD2 3.82Å; W450-F539 HydrophobicContact CZ3-CD2 3.82Å; W450-F539 HydrophobicContact CZ3-CE1 4.43Å; W450-F539 HydrophobicContact CZ3-CE2 4.46Å; W450-F539 AromaticContact CZ3-CG 3.44Å; W450-F539 HydrophobicContact CZ3-CG 3.44Å; W450-F539 VanDerWaalsContact CZ3-CG 3.44Å; W450-F582 AromaticContact CE3-CD2 3.9Å; W450-F582 HydrophobicContact CE3-CD2 3.9Å; W450-F582 AromaticContact CE3-CE2 3.82Å; W450-F582 HydrophobicContact CE3-CE2 3.82Å; W450-F582 HydrophobicContact CZ3-CD2 4.39Å; W450-F582 HydrophobicContact CZ3-CE2 4.32Å
451	H	96.1	Very high	95.1	Very high	25 Å²	25	45.7 Å²	45.7	12%	0.116	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.1	174.1	64.5	-87.3	0	0	0	110.5	N402 D446 R447 F492 E493 F582	N402-H451 PolarHBondContact ND2-NE2 2.81Å; D446-H451 VanDerWaalsContact C-ND1 3.28Å; D446-H451 PolarHBondContact O-CE1 3.47Å; D446-H451 PolarHBondContact O-ND1 3Å; D446-H451 VanDerWaalsContact O-ND1 3.15Å; R447-H451 PolarHBondContact O-ND1 3.4Å; H451-F492 CarbonylContact C-O 3.54Å; H451-F492 VanDerWaalsContact CA-O 3.24Å; H451-F492 WeakPolarHBondContact CA-O 3.14Å; H451-E493 HydrophobicContact CB-CB 4.45Å; H451-E493 HydrophobicContact CB-CG 4.43Å; H451-F582 VanDerWaalsContact C-CD1 3.47Å
452	G	95.8	Very high	95.3	Very high	7 Å²	7	45.8 Å²	45.8	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.7	-151.4	-178.2	0	0	0	0	0	112.2	F492 E583	G452-F492 PolarHBondContact N-O 3.33Å; G452-F492 PolarHBondContact O-N 2.82Å; G452-E583 WeakPolarHBondContact CA-O 3.19Å
453	A	96.2	Very high	95.5	Very high	14 Å²	14	44.5 Å²	44.5	12%	0.116	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.7	177.2	0	0	0	0	0	111	Q490 F582 E583	A453-Q490 VanDerWaalsContact CA-O 3.3Å; A453-Q490 WeakPolarHBondContact CA-O 3.28Å; A453-F582 CarbonylContact O-C 3.57Å; A453-F582 WeakPolarHBondContact O-CA 3.35Å; A453-E583 PolarHBondContact N-O 2.91Å; A453-E583 PolarHBondContact O-N 3.46Å
454	V	97.3	Very high	95.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.3	178.5	-175.3	0	0	0	0	109.1	C463 L464 F492 I545 W580 K581 F582	V454-C463 CarbonylContact O-C 3.54Å; V454-C463 VanDerWaalsContact O-CA 3.28Å; V454-C463 WeakPolarHBondContact O-CA 3.4Å; V454-L464 HydrophobicContact CB-CB 4.12Å; V454-L464 HydrophobicContact CB-CD1 3.64Å; V454-L464 HydrophobicContact CB-CG 3.89Å; V454-L464 HydrophobicContact CG1-CD1 3.57Å; V454-L464 HydrophobicContact CG1-CG 4.02Å; V454-L464 HydrophobicContact CG2-CD1 4.19Å; V454-L464 PolarHBondContact O-N 3.42Å; V454-F492 HydrophobicContact CG2-CB 4.03Å; V454-F492 HydrophobicContact CG2-CD2 4.25Å; V454-F492 HydrophobicContact CG2-CG 4.37Å; V454-I545 HydrophobicContact CG1-CD1 4.18Å; V454-W580 HydrophobicContact CG1-CB 3.93Å; V454-W580 HydrophobicContact CG1-CE3 4.11Å; V454-W580 HydrophobicContact CG1-CG 4.49Å; V454-K581 CarbonylContact C-O 3.59Å; V454-K581 WeakPolarHBondContact CA-O 3.5Å; V454-F582 HydrophobicContact CG2-CD1 3.76Å; V454-F582 HydrophobicContact CG2-CE1 3.37Å; V454-F582 HydrophobicContact CG2-CE2 4.32Å; V454-F582 HydrophobicContact CG2-CG 4.4Å; V454-F582 HydrophobicContact CG2-CZ 3.68Å
455	R	97.6	Very high	95.6	Very high	78 Å²	78	42.3 Å²	42.3	29%	0.294	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	141.3	-177	-172.6	-177.5	-67	-126.2	11.3	111.9	Q460 W580 K581 E583	R455-Q460 WeakPolarHBondContact CD-O 3.25Å; R455-Q460 PolarHBondContact NH1-O 2.85Å; R455-W580 WeakPolarHBondContact O-CA 3.31Å; R455-K581 PolarHBondContact N-O 2.81Å; R455-K581 PolarHBondContact O-N 3.17Å; R455-E583 HydrophobicContact CB-CG 4.4Å; R455-E583 VanDerWaalsContact CD-OE1 3.28Å; R455-E583 WeakPolarHBondContact CD-OE1 3.39Å; R455-E583 IonicContact CZ-OE1 2.87Å; R455-E583 IonicContact CZ-OE2 2.74Å; R455-E583 IonicContact NE-OE1 3.43Å; R455-E583 PolarHBondContact NE-OE1 2.72Å; R455-E583 IonicContact NE-OE2 3.72Å; R455-E583 PolarHBondContact NE-OE2 3.3Å; R455-E583 IonicContact NH2-OE1 3.95Å; R455-E583 IonicContact NH2-OE2 3.56Å; R455-E583 PolarHBondContact NH2-OE2 3.2Å
456	S	97.3	Very high	95.6	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.2	170	-175.9	0	0	0	0	112	G458 L459 Q460 E462 A556	S456-G458 PolarHBondContact OG-N 3.39Å; S456-L459 CarbonylContact O-C 3.59Å; S456-L459 PolarHBondContact OG-N 3.28Å; S456-Q460 WeakPolarHBondContact O-CA 3.4Å; S456-E462 PolarHBondContact N-O 3.26Å; S456-A556 WeakPolarHBondContact OG-CB 3.33Å
457	S	95.4	Very high	95.4	Very high	32 Å²	32	44.1 Å²	44.1	22%	0.224	23%	0.232	C	C	.	.	S	Bend	trans	-80	-21.6	174.3	-59.9	0	0	0	0	113.4	R576 Q579	S457-R576 CarbonylContact C-O 3.59Å; S457-R576 PolarHBondContact O-NH2 2.86Å; S457-R576 VanDerWaalsContact O-NH2 3.13Å; S457-Q579 WeakPolarHBondContact CB-O 3.48Å; S457-Q579 PolarHBondContact N-O 3.37Å; S457-Q579 PolarHBondContact OG-O 3.22Å; S457-Q579 VanDerWaalsContact OG-O 3.07Å
458	G	94.2	Very high	95	Very high	29 Å²	29	41.5 Å²	41.5	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	-87.2	-42.3	176.7	0	0	0	0	0	112.4	S456 R576 N577	S456-G458 PolarHBondContact OG-N 3.39Å; G458-R576 PolarHBondContact N-O 2.85Å; G458-N577 WeakPolarHBondContact CA-OD1 3.4Å
459	L	95.1	Very high	94.5	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.136	21%	0.206	C	C	.	.	S	Bend	trans	-109.3	80.3	174.4	-60.9	-177.3	0	0	0	110	S456 S461 E462 L480 A556 T564	S456-L459 CarbonylContact O-C 3.59Å; S456-L459 PolarHBondContact OG-N 3.28Å; L459-S461 PolarHBondContact O-N 3.3Å; L459-E462 HydrophobicContact CB-CB 4.08Å; L459-E462 HydrophobicContact CB-CG 3.78Å; L459-E462 HydrophobicContact CD1-CG 4.38Å; L459-E462 WeakPolarHBondContact O-CB 3.31Å; L459-E462 PolarHBondContact O-N 2.98Å; L459-L480 HydrophobicContact CD1-CD1 4.03Å; L459-A556 HydrophobicContact CD1-CB 4Å; L459-A556 HydrophobicContact CG-CB 4.24Å; L459-T564 HydrophobicContact CD1-CG2 3.81Å
460	Q	92.3	Very high	93.6	Very high	126 Å²	126	42.7 Å²	42.7	59%	0.589	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.6	-167.1	-64.6	-174.5	-24.1	0	0	115.9	R455 S456 E462	R455-Q460 WeakPolarHBondContact CD-O 3.25Å; R455-Q460 PolarHBondContact NH1-O 2.85Å; S456-Q460 WeakPolarHBondContact O-CA 3.4Å; Q460-E462 VanDerWaalsContact C-N 3.32Å
461	S	94.7	Very high	92.6	Very high	70 Å²	70	47 Å²	47	49%	0.49	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.3	174.5	54.8	0	0	0	0	113.4	L459 G482 C483	L459-S461 PolarHBondContact O-N 3.3Å; S461-G482 WeakPolarHBondContact O-CA 3.49Å; S461-C483 PolarHBondContact O-N 3.41Å
462	E	97.3	Very high	92.1	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.6	-165.5	-50.9	-59.6	124.4	0	0	112.3	S456 L459 Q460 L480 F481 T564	S456-E462 PolarHBondContact N-O 3.26Å; L459-E462 HydrophobicContact CB-CB 4.08Å; L459-E462 HydrophobicContact CB-CG 3.78Å; L459-E462 HydrophobicContact CD1-CG 4.38Å; L459-E462 WeakPolarHBondContact O-CB 3.31Å; L459-E462 PolarHBondContact O-N 2.98Å; Q460-E462 VanDerWaalsContact C-N 3.32Å; E462-L480 HydrophobicContact CB-CB 4.17Å; E462-L480 HydrophobicContact CB-CD1 4.18Å; E462-L480 HydrophobicContact CB-CD2 4.34Å; E462-L480 HydrophobicContact CB-CG 4.48Å; E462-F481 WeakPolarHBondContact CA-O 3.48Å; E462-T564 HydrophobicContact CG-CG2 3.9Å; E462-T564 PolarHBondContact OE2-OG1 2.71Å
463	C	97.6	Very high	91.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.7	174.6	-76.5	0	0	0	0	109.6	V454 D465 L480 F481 C483	V454-C463 CarbonylContact O-C 3.54Å; V454-C463 VanDerWaalsContact O-CA 3.28Å; V454-C463 WeakPolarHBondContact O-CA 3.4Å; C463-D465 PolarHBondContact O-N 3.31Å; C463-L480 WeakPolarHBondContact O-CA 3.42Å; C463-L480 WeakPolarHBondContact O-CD2 3.22Å; C463-F481 PolarHBondContact N-O 2.87Å; C463-F481 PolarHBondContact O-N 2.92Å; C463-C483 HydrophobicContact CB-CB 4.05Å; C463-C483 WeakPolarHBondContact CB-SG 3.4Å; C463-C483 PolarHBondContact N-SG 3.29Å; C463-C483 WeakPolarHBondContact SG-CB 3.42Å; C463-C483 CovalentContact SG-SG 2.05Å; C463-C483 PolarHBondContact SG-SG 3.32Å
464	L	97	Very high	91.3	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	134.6	167.1	-65.8	-178.3	0	0	0	109.2	V454 L478 S479 L480 F492 I545 A566 W580	V454-L464 HydrophobicContact CB-CB 4.12Å; V454-L464 HydrophobicContact CB-CD1 3.64Å; V454-L464 HydrophobicContact CB-CG 3.89Å; V454-L464 HydrophobicContact CG1-CD1 3.57Å; V454-L464 HydrophobicContact CG1-CG 4.02Å; V454-L464 HydrophobicContact CG2-CD1 4.19Å; V454-L464 PolarHBondContact O-N 3.42Å; L464-L478 HydrophobicContact CB-CD1 4.28Å; L464-L478 HydrophobicContact CD1-CD2 4.21Å; L464-L478 HydrophobicContact CD2-CD2 4.07Å; L464-L478 HydrophobicContact CD2-CG 4.31Å; L464-S479 WeakPolarHBondContact CA-O 3.39Å; L464-L480 HydrophobicContact CD2-CD2 3.94Å; L464-F492 HydrophobicContact CB-CD2 4.31Å; L464-F492 HydrophobicContact CB-CE2 3.79Å; L464-F492 HydrophobicContact CB-CZ 4.16Å; L464-F492 WeakPolarHBondContact O-CE2 3.22Å; L464-I545 HydrophobicContact CD1-CD1 4.5Å; L464-A566 HydrophobicContact CD2-CB 4.22Å; L464-W580 HydrophobicContact CD2-CE3 4.25Å; L464-W580 HydrophobicContact CD2-CH2 3.79Å; L464-W580 HydrophobicContact CD2-CZ3 3.62Å; L464-W580 HydrophobicContact CG-CE3 4.18Å; L464-W580 HydrophobicContact CG-CZ3 3.93Å
465	D	96.1	Very high	90.8	Very high	5 Å²	5	54 Å²	54	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127	-175.4	-162.1	-68.1	0	0	0	109.9	C463 S479 F481 N489 Q490	C463-D465 PolarHBondContact O-N 3.31Å; D465-S479 PolarHBondContact N-O 3.12Å; D465-S479 PolarHBondContact O-N 3.13Å; D465-S479 PolarHBondContact O-OG 3.14Å; D465-F481 HydrophobicContact CB-CB 3.6Å; D465-F481 VanDerWaalsContact OD2-CB 3.3Å; D465-F481 WeakPolarHBondContact OD2-CB 3.5Å; D465-N489 PolarHBondContact OD1-ND2 3.1Å; D465-N489 PolarHBondContact OD2-ND2 2.92Å; D465-Q490 HydrophobicContact CB-CG 4.31Å; D465-Q490 WeakPolarHBondContact OD2-CG 3.45Å; D465-Q490 PolarHBondContact OD2-NE2 3.15Å
466	Y	94.7	Very high	90.5	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.012	31%	0.307	C	S	.	.			trans	-119.2	108.1	176	-170.8	-103.1	0	0	0	110.6	A468 P473 T474 A476 N489 F502 L508 M521	Y466-A468 HydrophobicContact CD1-CB 4.42Å; Y466-A468 HydrophobicContact CE1-CB 3.62Å; Y466-P473 WeakPolarHBondContact CE1-O 3.29Å; Y466-P473 PolarHBondContact OH-O 3.43Å; Y466-T474 WeakPolarHBondContact OH-CA 3.12Å; Y466-A476 HydrophobicContact CE2-CB 3.79Å; Y466-A476 VanDerWaalsContact CE2-O 3.32Å; Y466-A476 WeakPolarHBondContact CE2-O 3.42Å; Y466-A476 PolarHBondContact OH-N 2.97Å; Y466-A476 PolarHBondContact OH-O 2.78Å; Y466-N489 PolarHBondContact N-O 2.94Å; Y466-N489 VanDerWaalsContact O-CB 3.3Å; Y466-N489 WeakPolarHBondContact O-CB 3.38Å; Y466-F502 AromaticContact CD1-CD1 3.69Å; Y466-F502 HydrophobicContact CD1-CD1 3.69Å; Y466-F502 AromaticContact CD1-CE1 3.64Å; Y466-F502 HydrophobicContact CD1-CE1 3.64Å; Y466-F502 HydrophobicContact CD1-CG 4.16Å; Y466-F502 HydrophobicContact CD1-CZ 4.1Å; Y466-F502 HydrophobicContact CE1-CD1 4.37Å; Y466-F502 HydrophobicContact CE1-CE1 4.39Å; Y466-F502 HydrophobicContact CG-CD1 4.48Å; Y466-L508 HydrophobicContact CE1-CD1 4.03Å; Y466-M521 HydrophobicContact CD1-CG 4.04Å; Y466-M521 HydrophobicContact CD2-CE 3.89Å; Y466-M521 HydrophobicContact CD2-CG 3.6Å; Y466-M521 HydrophobicContact CE1-CB 4.17Å; Y466-M521 HydrophobicContact CE1-CG 3.71Å; Y466-M521 HydrophobicContact CE2-CB 3.97Å; Y466-M521 HydrophobicContact CE2-CE 4.47Å; Y466-M521 HydrophobicContact CE2-CG 3.25Å; Y466-M521 HydrophobicContact CG-CE 3.97Å; Y466-M521 HydrophobicContact CG-CG 3.98Å
467	N	91.3	Very high	90.3	Very high	123 Å²	123	56.8 Å²	56.8	66%	0.658	33%	0.333	S	S	*	.			trans	-120	93.2	179.6	-169.9	25.6	0	0	0	110.5	A476	N467-A476 WeakPolarHBondContact O-CB 3.46Å
468	A	86.5	Confident	90.2	Very high	24 Å²	24	55.6 Å²	55.6	20%	0.198	32%	0.324	C	S	.	.			trans	-83.2	147.1	178.7	0	0	0	0	0	112.6	Y466 A476	Y466-A468 HydrophobicContact CD1-CB 4.42Å; Y466-A468 HydrophobicContact CE1-CB 3.62Å; A468-A476 HydrophobicContact CB-CB 4.19Å
469	P	82.5	Confident	90.3	Very high	54 Å²	54	56 Å²	56	35%	0.351	32%	0.322	S	S	.	.			trans	-60.9	142.6	166.3	-17.6	30	0	0	0	111.2	H471 S472	P469-H471 WeakPolarHBondContact CB-CE1 3.35Å; P469-H471 PolarHBondContact O-N 2.81Å; P469-S472 CarbonylContact O-C 3.58Å; P469-S472 PolarHBondContact O-N 3.45Å
470	D	73.8	Confident	90.4	Very high	172 Å²	172	55.1 Å²	55.1	92%	0.92	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-31	-177.5	-62	-29.3	0	0	0	114.1
471	H	76.5	Confident	90.6	Very high	170 Å²	170	55.1 Å²	55.1	79%	0.787	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.2	-178.2	61	-86.3	0	0	0	114.1	P469	P469-H471 WeakPolarHBondContact CB-CE1 3.35Å; P469-H471 PolarHBondContact O-N 2.81Å
472	S	84.6	Confident	90.7	Very high	36 Å²	36	53.1 Å²	53.1	25%	0.252	31%	0.306	S	S	.	.			trans	-151.8	90.4	-178.4	-172.4	0	0	0	0	110.9	P469 T474 G475	P469-S472 CarbonylContact O-C 3.58Å; P469-S472 PolarHBondContact O-N 3.45Å; S472-T474 PolarHBondContact O-N 2.69Å; S472-T474 VanDerWaalsContact O-N 3.09Å; S472-G475 PolarHBondContact O-N 3.35Å; S472-G475 WeakPolarHBondContact OG-CA 3.24Å; S472-G475 PolarHBondContact OG-N 2.72Å
473	P	85.4	Confident	90.6	Very high	50 Å²	50	53.7 Å²	53.7	33%	0.325	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.1	-177.7	26.7	-34.8	0	0	0	113.2	Y466 L508	Y466-P473 WeakPolarHBondContact CE1-O 3.29Å; Y466-P473 PolarHBondContact OH-O 3.43Å; P473-L508 HydrophobicContact CB-CD1 4.34Å; P473-L508 WeakPolarHBondContact O-CD1 3.3Å
474	T	90.1	Very high	90.4	Very high	57 Å²	57	56.6 Å²	56.6	35%	0.35	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	4.8	176.1	59.9	0	0	0	0	112.8	Y466 S472 L508 M521	Y466-T474 WeakPolarHBondContact OH-CA 3.12Å; S472-T474 PolarHBondContact O-N 2.69Å; S472-T474 VanDerWaalsContact O-N 3.09Å; T474-L508 HydrophobicContact CG2-CD2 4.03Å; T474-M521 VanDerWaalsContact CB-O 3.31Å; T474-M521 WeakPolarHBondContact CB-O 3.46Å
475	G	86.5	Confident	90.1	Very high	51 Å²	51	59.1 Å²	59.1	53%	0.526	35%	0.352	S	S	.	.	S	Bend	trans	-83.3	-12.6	-170.7	0	0	0	0	0	115.2	S472	S472-G475 PolarHBondContact O-N 3.35Å; S472-G475 WeakPolarHBondContact OG-CA 3.24Å; S472-G475 PolarHBondContact OG-N 2.72Å
476	A	90.9	Very high	89.8	Confident	20 Å²	20	64.7 Å²	64.7	17%	0.165	38%	0.378	C	S	.	.	S	Bend	trans	-96.7	167.4	176.8	0	0	0	0	0	112.5	Y466 N467 A468	Y466-A476 HydrophobicContact CE2-CB 3.79Å; Y466-A476 VanDerWaalsContact CE2-O 3.32Å; Y466-A476 WeakPolarHBondContact CE2-O 3.42Å; Y466-A476 PolarHBondContact OH-N 2.97Å; Y466-A476 PolarHBondContact OH-O 2.78Å; N467-A476 WeakPolarHBondContact O-CB 3.46Å; A468-A476 HydrophobicContact CB-CB 4.19Å
477	Q	92.9	Very high	89.6	Confident	118 Å²	118	65 Å²	65	55%	0.551	38%	0.382	S	S	*	.			trans	-106.8	150.2	169.9	-64.2	178.1	-11.2	0	0	109.1	S518 I519	Q477-S518 VanDerWaalsContact CD-CB 3.44Å; Q477-S518 PolarHBondContact NE2-OG 2.89Å; Q477-I519 WeakPolarHBondContact CA-O 3.35Å
478	L	94.9	Very high	89.5	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	36%	0.358	C	S	.	.			trans	-64.9	133.8	172.7	-173.3	67.1	0	0	0	109.5	L464 F492 I519 M521	L464-L478 HydrophobicContact CB-CD1 4.28Å; L464-L478 HydrophobicContact CD1-CD2 4.21Å; L464-L478 HydrophobicContact CD2-CD2 4.07Å; L464-L478 HydrophobicContact CD2-CG 4.31Å; L478-F492 HydrophobicContact CD1-CE1 3.75Å; L478-F492 HydrophobicContact CD1-CZ 3.49Å; L478-F492 VanDerWaalsContact CD1-CZ 3.49Å; L478-I519 HydrophobicContact CB-CB 4.01Å; L478-I519 HydrophobicContact CB-CG2 4.09Å; L478-I519 HydrophobicContact CD2-CB 4.28Å; L478-I519 HydrophobicContact CD2-CD1 4.2Å; L478-I519 HydrophobicContact CD2-CG2 3.88Å; L478-I519 PolarHBondContact N-O 2.88Å; L478-M521 HydrophobicContact CD1-CE 3.98Å
479	S	95.5	Very high	89.8	Confident	37 Å²	37	61 Å²	61	26%	0.259	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	-169.5	-175.5	69.4	0	0	0	0	111	L464 D465 D565	L464-S479 WeakPolarHBondContact CA-O 3.39Å; D465-S479 PolarHBondContact N-O 3.12Å; D465-S479 PolarHBondContact O-N 3.13Å; D465-S479 PolarHBondContact O-OG 3.14Å; S479-D565 WeakPolarHBondContact CA-OD1 3.46Å
480	L	96.9	Very high	90.4	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.2	172.3	-70	-179.4	0	0	0	111.1	L459 E462 C463 L464 A556 D565 A566 W580	L459-L480 HydrophobicContact CD1-CD1 4.03Å; E462-L480 HydrophobicContact CB-CB 4.17Å; E462-L480 HydrophobicContact CB-CD1 4.18Å; E462-L480 HydrophobicContact CB-CD2 4.34Å; E462-L480 HydrophobicContact CB-CG 4.48Å; C463-L480 WeakPolarHBondContact O-CA 3.42Å; C463-L480 WeakPolarHBondContact O-CD2 3.22Å; L464-L480 HydrophobicContact CD2-CD2 3.94Å; L480-A556 HydrophobicContact CD1-CB 3.76Å; L480-D565 VanDerWaalsContact CD1-O 3.28Å; L480-D565 WeakPolarHBondContact CD1-O 3.13Å; L480-A566 HydrophobicContact CG-CB 4.37Å; L480-W580 HydrophobicContact CD1-CH2 4.43Å; L480-W580 HydrophobicContact CD2-CH2 3.84Å; L480-W580 HydrophobicContact CD2-CZ3 3.79Å
481	F	96.6	Very high	91.4	Very high	125 Å²	125	50.5 Å²	50.5	55%	0.548	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164.4	170.6	-163.4	-101	0	0	0	110.7	E462 C463 D465 C483	E462-F481 WeakPolarHBondContact CA-O 3.48Å; C463-F481 PolarHBondContact N-O 2.87Å; C463-F481 PolarHBondContact O-N 2.92Å; D465-F481 HydrophobicContact CB-CB 3.6Å; D465-F481 VanDerWaalsContact OD2-CB 3.3Å; D465-F481 WeakPolarHBondContact OD2-CB 3.5Å; F481-C483 PolarHBondContact O-N 3.26Å
482	G	97	Very high	92.4	Very high	28 Å²	28	42.4 Å²	42.4	29%	0.289	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	125	177.1	0	0	0	0	0	111.8	S461 H484 Q490	S461-G482 WeakPolarHBondContact O-CA 3.49Å; G482-H484 PolarHBondContact O-N 2.79Å; G482-Q490 PolarHBondContact O-NE2 3.16Å
483	C	96	Very high	93	Very high	36 Å²	36	40.7 Å²	40.7	24%	0.243	25%	0.252	C	S	.	.			trans	-60.7	118.6	179.5	-60.3	0	0	0	0	110.8	S461 C463 F481	S461-C483 PolarHBondContact O-N 3.41Å; C463-C483 HydrophobicContact CB-CB 4.05Å; C463-C483 WeakPolarHBondContact CB-SG 3.4Å; C463-C483 PolarHBondContact N-SG 3.29Å; C463-C483 WeakPolarHBondContact SG-CB 3.42Å; C463-C483 CovalentContact SG-SG 2.05Å; C463-C483 PolarHBondContact SG-SG 3.32Å; F481-C483 PolarHBondContact O-N 3.26Å
484	H	93.7	Very high	93.6	Very high	61 Å²	61	39.2 Å²	39.2	28%	0.282	24%	0.24	S	C	.	.			trans	-114.3	-13.3	-178	55.7	71.8	0	0	0	114.7	G482 Q486 N489 Q490	G482-H484 PolarHBondContact O-N 2.79Å; H484-Q486 VanDerWaalsContact C-N 3.27Å; H484-Q486 HydrophobicContact CB-CG 4.31Å; H484-Q486 VanDerWaalsContact ND1-CB 3.33Å; H484-Q486 WeakPolarHBondContact ND1-CB 3.23Å; H484-Q486 PolarHBondContact ND1-N 3.12Å; H484-Q486 WeakPolarHBondContact O-CG 3.27Å; H484-Q486 PolarHBondContact O-N 3.44Å; H484-N489 PolarHBondContact NE2-OD1 3.26Å; H484-Q490 PolarHBondContact CD2-NE2 2.91Å; H484-Q490 PolarHBondContact CD2-OE1 3.31Å; H484-Q490 VanDerWaalsContact CD2-OE1 3.27Å; H484-Q490 WeakPolarHBondContact NE2-CG 3.24Å; H484-Q490 PolarHBondContact NE2-NE2 3.48Å; H484-Q490 PolarHBondContact NE2-OE1 3.45Å
485	G	90.3	Very high	93.8	Very high	56 Å²	56	36.7 Å²	36.7	58%	0.577	23%	0.225	S	C	*	.	S	Bend	trans	65.2	27.2	175.3	0	0	0	0	0	114.3
486	Q	89.9	Confident	94.3	Very high	123 Å²	123	37.4 Å²	37.4	58%	0.575	22%	0.222	S	C	*	.			trans	-105.4	7.7	-178.5	-53.7	-179.9	-6	0	0	112.8	H484	H484-Q486 VanDerWaalsContact C-N 3.27Å; H484-Q486 HydrophobicContact CB-CG 4.31Å; H484-Q486 VanDerWaalsContact ND1-CB 3.33Å; H484-Q486 WeakPolarHBondContact ND1-CB 3.23Å; H484-Q486 PolarHBondContact ND1-N 3.12Å; H484-Q486 WeakPolarHBondContact O-CG 3.27Å; H484-Q486 PolarHBondContact O-N 3.44Å
487	G	89.8	Confident	94.5	Very high	8 Å²	8	40.4 Å²	40.4	8%	0.082	23%	0.232	C	C	.	.			trans	67.5	-128.8	-171.7	0	0	0	0	0	111.1	N489 Q490	G487-N489 PolarHBondContact O-N 2.82Å; G487-Q490 PolarHBondContact O-N 2.95Å; G487-Q490 VanDerWaalsContact O-N 3.13Å
488	G	89.3	Confident	94.6	Very high	16 Å²	16	39.1 Å²	39.1	17%	0.165	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	62.4	-125.9	173.9	0	0	0	0	0	113	R403 Q490 Y491 F502 S504	R403-G488 PolarHBondContact O-N 2.82Å; G488-Q490 PolarHBondContact O-N 3.26Å; G488-Y491 PolarHBondContact O-N 3.17Å; G488-F502 WeakPolarHBondContact O-CE2 3.42Å; G488-S504 WeakPolarHBondContact CA-OG 3.33Å; G488-S504 WeakPolarHBondContact O-CB 3.38Å; G488-S504 PolarHBondContact O-OG 3.26Å
489	N	92.5	Very high	94.7	Very high	47 Å²	47	38.9 Å²	38.9	25%	0.251	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-65.2	-14.5	177.4	58.6	-34	0	0	0	114.4	D465 Y466 H484 G487	D465-N489 PolarHBondContact OD1-ND2 3.1Å; D465-N489 PolarHBondContact OD2-ND2 2.92Å; Y466-N489 PolarHBondContact N-O 2.94Å; Y466-N489 VanDerWaalsContact O-CB 3.3Å; Y466-N489 WeakPolarHBondContact O-CB 3.38Å; H484-N489 PolarHBondContact NE2-OD1 3.26Å; G487-N489 PolarHBondContact O-N 2.82Å
490	Q	95	Very high	94.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-104.5	5.1	177.3	-65.9	-174.1	-5.1	0	0	113.4	A453 D465 G482 H484 G487 G488 F492	A453-Q490 VanDerWaalsContact CA-O 3.3Å; A453-Q490 WeakPolarHBondContact CA-O 3.28Å; D465-Q490 HydrophobicContact CB-CG 4.31Å; D465-Q490 WeakPolarHBondContact OD2-CG 3.45Å; D465-Q490 PolarHBondContact OD2-NE2 3.15Å; G482-Q490 PolarHBondContact O-NE2 3.16Å; H484-Q490 PolarHBondContact CD2-NE2 2.91Å; H484-Q490 PolarHBondContact CD2-OE1 3.31Å; H484-Q490 VanDerWaalsContact CD2-OE1 3.27Å; H484-Q490 WeakPolarHBondContact NE2-CG 3.24Å; H484-Q490 PolarHBondContact NE2-NE2 3.48Å; H484-Q490 PolarHBondContact NE2-OE1 3.45Å; G487-Q490 PolarHBondContact O-N 2.95Å; G487-Q490 VanDerWaalsContact O-N 3.13Å; G488-Q490 PolarHBondContact O-N 3.26Å; Q490-F492 WeakPolarHBondContact O-CD2 3.46Å
491	Y	95.4	Very high	94.8	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.016	21%	0.212	C	C	.	.			trans	-89.2	121	179	-173	-86.1	0	0	0	111.3	N402 R403 D446 G488 F502	N402-Y491 VanDerWaalsContact C-CE2 3.42Å; N402-Y491 HydrophobicContact CB-CE2 3.82Å; N402-Y491 WeakPolarHBondContact CB-OH 3.5Å; N402-Y491 VanDerWaalsContact O-CD2 3.22Å; N402-Y491 WeakPolarHBondContact O-CD2 3.39Å; N402-Y491 WeakPolarHBondContact O-CE2 3.2Å; R403-Y491 HydrophobicContact CG-CD1 3.74Å; R403-Y491 HydrophobicContact CG-CD2 4.37Å; R403-Y491 HydrophobicContact CG-CE1 3.58Å; R403-Y491 HydrophobicContact CG-CE2 4.24Å; R403-Y491 HydrophobicContact CG-CG 4.13Å; R403-Y491 PolarHBondContact NH1-OH 2.98Å; D446-Y491 PolarHBondContact OD1-OH 2.84Å; D446-Y491 VanDerWaalsContact OD1-OH 3.05Å; D446-Y491 PolarHBondContact OD2-OH 2.99Å; G488-Y491 PolarHBondContact O-N 3.17Å; Y491-F502 WeakPolarHBondContact O-CD2 3.45Å
492	F	96.5	Very high	94.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.9	173.9	-61.3	-91.4	0	0	0	111	H451 G452 V454 L464 L478 Q490 I500 R501 F502 M521 F582	H451-F492 CarbonylContact C-O 3.54Å; H451-F492 VanDerWaalsContact CA-O 3.24Å; H451-F492 WeakPolarHBondContact CA-O 3.14Å; G452-F492 PolarHBondContact N-O 3.33Å; G452-F492 PolarHBondContact O-N 2.82Å; V454-F492 HydrophobicContact CG2-CB 4.03Å; V454-F492 HydrophobicContact CG2-CD2 4.25Å; V454-F492 HydrophobicContact CG2-CG 4.37Å; L464-F492 HydrophobicContact CB-CD2 4.31Å; L464-F492 HydrophobicContact CB-CE2 3.79Å; L464-F492 HydrophobicContact CB-CZ 4.16Å; L464-F492 WeakPolarHBondContact O-CE2 3.22Å; L478-F492 HydrophobicContact CD1-CE1 3.75Å; L478-F492 HydrophobicContact CD1-CZ 3.49Å; L478-F492 VanDerWaalsContact CD1-CZ 3.49Å; Q490-F492 WeakPolarHBondContact O-CD2 3.46Å; F492-I500 HydrophobicContact CB-CG2 4.5Å; F492-I500 HydrophobicContact CD1-CG2 4.08Å; F492-R501 CarbonylContact C-O 2.96Å; F492-R501 VanDerWaalsContact CA-O 3.24Å; F492-R501 WeakPolarHBondContact CA-O 3.41Å; F492-F502 HydrophobicContact CD1-CB 4.13Å; F492-F502 HydrophobicContact CD1-CD2 4.38Å; F492-F502 HydrophobicContact CE1-CB 3.94Å; F492-F502 AromaticContact CE1-CD2 3.9Å; F492-F502 HydrophobicContact CE1-CD2 3.9Å; F492-F502 HydrophobicContact CE1-CG 4.34Å; F492-F502 HydrophobicContact CZ-CD2 4.06Å; F492-M521 HydrophobicContact CE1-CE 3.79Å; F492-F582 HydrophobicContact CB-CE1 4.22Å
493	E	97.4	Very high	94.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.7	173.2	-179.3	-174.3	-169.7	0	0	109.7	R403 E445 D446 H451 T495 I500 R501 N503	R403-E493 IonicContact NH2-OE2 2.92Å; E445-E493 WeakPolarHBondContact CA-OE1 3.35Å; E445-E493 WeakPolarHBondContact CB-OE1 3.45Å; E445-E493 PolarHBondContact N-OE1 3.31Å; D446-E493 PolarHBondContact N-OE1 2.97Å; H451-E493 HydrophobicContact CB-CB 4.45Å; H451-E493 HydrophobicContact CB-CG 4.43Å; E493-T495 HydrophobicContact CG-CG2 4.43Å; E493-I500 CarbonylContact O-C 3.36Å; E493-I500 WeakPolarHBondContact O-CA 3.41Å; E493-R501 HydrophobicContact CB-CB 4.4Å; E493-R501 PolarHBondContact N-O 3.18Å; E493-R501 PolarHBondContact O-N 3.35Å; E493-N503 PolarHBondContact OE2-ND2 3.27Å
494	Y	97.5	Very high	93.8	Very high	19 Å²	19	29.2 Å²	29.2	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.2	169.2	-177.2	-115.6	0	0	0	110.6	R447 W450 E499 I500 W537 F539	R447-Y494 PolarHBondContact NH2-O 2.93Å; W450-Y494 AromaticContact CD2-CD1 3.74Å; W450-Y494 HydrophobicContact CD2-CD1 3.74Å; W450-Y494 AromaticContact CE3-CD1 3.26Å; W450-Y494 HydrophobicContact CE3-CD1 3.26Å; W450-Y494 HydrophobicContact CE3-CE1 4.16Å; W450-Y494 AromaticContact CE3-CG 3.85Å; W450-Y494 HydrophobicContact CE3-CG 3.85Å; W450-Y494 HydrophobicContact CG-CD1 4.45Å; W450-Y494 HydrophobicContact CH2-CD1 4.08Å; W450-Y494 HydrophobicContact CH2-CE1 4.18Å; W450-Y494 AromaticContact CZ3-CD1 3.46Å; W450-Y494 HydrophobicContact CZ3-CD1 3.46Å; W450-Y494 VanDerWaalsContact CZ3-CD1 3.46Å; W450-Y494 AromaticContact CZ3-CE1 3.95Å; W450-Y494 HydrophobicContact CZ3-CE1 3.95Å; W450-Y494 HydrophobicContact CZ3-CG 4.17Å; W450-Y494 PolarHBondContact O-N 2.68Å; Y494-E499 WeakPolarHBondContact CA-O 3.45Å; Y494-E499 WeakPolarHBondContact CD2-O 3.44Å; Y494-I500 HydrophobicContact CD2-CG1 3.98Å; Y494-W537 HydrophobicContact CE2-CB 4.31Å; Y494-W537 VanDerWaalsContact CE2-O 3.28Å; Y494-W537 WeakPolarHBondContact CE2-O 3.32Å; Y494-W537 PolarHBondContact OH-O 2.94Å; Y494-F539 HydrophobicContact CD1-CB 4.21Å; Y494-F539 HydrophobicContact CD2-CB 4.49Å; Y494-F539 HydrophobicContact CE1-CB 3.86Å; Y494-F539 HydrophobicContact CE2-CB 4.19Å; Y494-F539 HydrophobicContact CG-CB 4.49Å; Y494-F539 PolarHBondContact OH-N 3.37Å
495	T	96.2	Very high	92.9	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	17%	0.168	C	C	.	.			trans	-85	162.8	-171.5	72.7	0	0	0	0	112.8	R447 E493 Q497 K498 E499 R501	R447-T495 PolarHBondContact NH2-O 3.02Å; E493-T495 HydrophobicContact CG-CG2 4.43Å; T495-Q497 PolarHBondContact O-N 3.03Å; T495-Q497 PolarHBondContact OG1-N 3.35Å; T495-K498 PolarHBondContact O-N 3.38Å; T495-K498 VanDerWaalsContact O-N 3.09Å; T495-E499 HydrophobicContact CG2-CB 4.31Å; T495-E499 PolarHBondContact N-O 3.08Å; T495-E499 WeakPolarHBondContact OG1-CB 3.33Å; T495-E499 PolarHBondContact OG1-N 3Å; T495-E499 VanDerWaalsContact OG1-N 3.15Å; T495-E499 PolarHBondContact OG1-OE2 3.44Å; T495-R501 HydrophobicContact CG2-CG 3.85Å
496	S	95.3	Very high	92.3	Very high	67 Å²	67	28.7 Å²	28.7	47%	0.469	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.4	171.6	60.7	0	0	0	0	112.8	E445 K498	E445-S496 VanDerWaalsContact CD-OG 3.29Å; E445-S496 WeakPolarHBondContact OE1-CB 3.25Å; E445-S496 PolarHBondContact OE1-N 3.05Å; E445-S496 PolarHBondContact OE1-OG 2.95Å; E445-S496 VanDerWaalsContact OE2-CB 3.25Å; E445-S496 WeakPolarHBondContact OE2-CB 3.36Å; E445-S496 PolarHBondContact OE2-N 3.18Å; E445-S496 PolarHBondContact OE2-OG 3.23Å; S496-K498 PolarHBondContact O-N 3.32Å
497	Q	95.1	Very high	92.3	Very high	83 Å²	83	25.2 Å²	25.2	39%	0.388	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	12.3	178.1	-59.4	-178.4	42.5	0	0	113	T495 E499 K531	T495-Q497 PolarHBondContact O-N 3.03Å; T495-Q497 PolarHBondContact OG1-N 3.35Å; Q497-E499 VanDerWaalsContact C-N 3.33Å; Q497-E499 PolarHBondContact O-N 2.95Å; Q497-K531 VanDerWaalsContact OE1-NZ 3.12Å
498	K	96.8	Very high	92.5	Very high	91 Å²	91	24.8 Å²	24.8	40%	0.396	13%	0.134	S	C	.	.	S	Bend	trans	65.7	31.1	175.9	-59.8	-173.2	173.8	-163.3	0	113.9	T495 S496 I536 W537 D538	T495-K498 PolarHBondContact O-N 3.38Å; T495-K498 VanDerWaalsContact O-N 3.09Å; S496-K498 PolarHBondContact O-N 3.32Å; K498-I536 HydrophobicContact CB-CG2 4.07Å; K498-I536 HydrophobicContact CD-CG2 4.3Å; K498-W537 WeakPolarHBondContact CB-O 3.37Å; K498-W537 PolarHBondContact O-N 2.89Å; K498-D538 WeakPolarHBondContact CD-OD1 3.37Å; K498-D538 WeakPolarHBondContact CE-OD1 3.31Å; K498-D538 IonicContact NZ-OD1 3.95Å; K498-D538 PolarHBondContact NZ-OD1 3.09Å
499	E	97.1	Very high	92.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.127	C	C	.	.			trans	-98.4	143.6	174.3	-56	161.7	128.7	0	0	109.4	Y494 T495 Q497 R501 I535	Y494-E499 WeakPolarHBondContact CA-O 3.45Å; Y494-E499 WeakPolarHBondContact CD2-O 3.44Å; T495-E499 HydrophobicContact CG2-CB 4.31Å; T495-E499 PolarHBondContact N-O 3.08Å; T495-E499 WeakPolarHBondContact OG1-CB 3.33Å; T495-E499 PolarHBondContact OG1-N 3Å; T495-E499 VanDerWaalsContact OG1-N 3.15Å; T495-E499 PolarHBondContact OG1-OE2 3.44Å; Q497-E499 VanDerWaalsContact C-N 3.33Å; Q497-E499 PolarHBondContact O-N 2.95Å; E499-R501 HydrophobicContact CB-CG 4.17Å; E499-R501 IonicContact OE1-NH2 2.79Å; E499-R501 PolarHBondContact OE1-NH2 3.16Å; E499-R501 IonicContact OE2-CZ 3.93Å; E499-R501 IonicContact OE2-NE 3.58Å; E499-R501 PolarHBondContact OE2-NE 3.38Å; E499-R501 VanDerWaalsContact OE2-NE 3.1Å; E499-R501 IonicContact OE2-NH2 2.87Å; E499-R501 PolarHBondContact OE2-NH2 3.28Å; E499-I535 HydrophobicContact CG-CD1 4.28Å
500	I	97.5	Very high	93.1	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.046	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.1	164.3	-63.8	173.4	0	0	0	106.7	F492 E493 Y494 A510 W537 I545	F492-I500 HydrophobicContact CB-CG2 4.5Å; F492-I500 HydrophobicContact CD1-CG2 4.08Å; E493-I500 CarbonylContact O-C 3.36Å; E493-I500 WeakPolarHBondContact O-CA 3.41Å; Y494-I500 HydrophobicContact CD2-CG1 3.98Å; I500-A510 HydrophobicContact CB-CB 4.11Å; I500-A510 HydrophobicContact CG2-CB 4.27Å; I500-A510 PolarHBondContact O-N 3.19Å; I500-W537 HydrophobicContact CB-CG 4.43Å; I500-W537 HydrophobicContact CD1-CB 3.81Å; I500-W537 HydrophobicContact CD1-CD2 3.78Å; I500-W537 HydrophobicContact CD1-CE3 4.2Å; I500-W537 HydrophobicContact CD1-CG 3.6Å; I500-W537 HydrophobicContact CG1-CB 3.92Å; I500-W537 HydrophobicContact CG1-CD2 4.41Å; I500-W537 HydrophobicContact CG1-CG 3.78Å; I500-I545 HydrophobicContact CD1-CG2 3.7Å
501	R	96.6	Very high	93.2	Very high	4 Å²	4	23 Å²	23	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.9	-177.8	-64.1	-168.1	174.4	-145.9	5.9	111	H442 F492 E493 T495 E499 N503 E507 L508	H442-R501 PolarHBondContact CD2-NH1 3.3Å; H442-R501 PolarHBondContact CE1-NH1 3.29Å; H442-R501 PolarHBondContact NE2-NH1 2.77Å; H442-R501 VanDerWaalsContact NE2-NH1 3.1Å; F492-R501 CarbonylContact C-O 2.96Å; F492-R501 VanDerWaalsContact CA-O 3.24Å; F492-R501 WeakPolarHBondContact CA-O 3.41Å; E493-R501 HydrophobicContact CB-CB 4.4Å; E493-R501 PolarHBondContact N-O 3.18Å; E493-R501 PolarHBondContact O-N 3.35Å; T495-R501 HydrophobicContact CG2-CG 3.85Å; E499-R501 HydrophobicContact CB-CG 4.17Å; E499-R501 IonicContact OE1-NH2 2.79Å; E499-R501 PolarHBondContact OE1-NH2 3.16Å; E499-R501 IonicContact OE2-CZ 3.93Å; E499-R501 IonicContact OE2-NE 3.58Å; E499-R501 PolarHBondContact OE2-NE 3.38Å; E499-R501 VanDerWaalsContact OE2-NE 3.1Å; E499-R501 IonicContact OE2-NH2 2.87Å; E499-R501 PolarHBondContact OE2-NH2 3.28Å; R501-N503 HydrophobicContact CB-CB 4.27Å; R501-E507 IonicContact NH1-OE2 3.06Å; R501-E507 PolarHBondContact NH1-OE2 2.88Å; R501-L508 CarbonylContact C-O 3.52Å; R501-L508 VanDerWaalsContact CA-O 3.23Å; R501-L508 WeakPolarHBondContact CA-O 3.37Å
502	F	94.6	Very high	93.3	Very high	16 Å²	16	22.9 Å²	22.9	7%	0.07	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	85.3	161.9	175	-104.1	0	0	0	106.9	Y466 G488 Y491 F492 L508 M521	Y466-F502 AromaticContact CD1-CD1 3.69Å; Y466-F502 HydrophobicContact CD1-CD1 3.69Å; Y466-F502 AromaticContact CD1-CE1 3.64Å; Y466-F502 HydrophobicContact CD1-CE1 3.64Å; Y466-F502 HydrophobicContact CD1-CG 4.16Å; Y466-F502 HydrophobicContact CD1-CZ 4.1Å; Y466-F502 HydrophobicContact CE1-CD1 4.37Å; Y466-F502 HydrophobicContact CE1-CE1 4.39Å; Y466-F502 HydrophobicContact CG-CD1 4.48Å; G488-F502 WeakPolarHBondContact O-CE2 3.42Å; Y491-F502 WeakPolarHBondContact O-CD2 3.45Å; F492-F502 HydrophobicContact CD1-CB 4.13Å; F492-F502 HydrophobicContact CD1-CD2 4.38Å; F492-F502 HydrophobicContact CE1-CB 3.94Å; F492-F502 AromaticContact CE1-CD2 3.9Å; F492-F502 HydrophobicContact CE1-CD2 3.9Å; F492-F502 HydrophobicContact CE1-CG 4.34Å; F492-F502 HydrophobicContact CZ-CD2 4.06Å; F502-L508 HydrophobicContact CB-CB 4.33Å; F502-L508 HydrophobicContact CD1-CB 4.36Å; F502-L508 HydrophobicContact CD1-CD1 4.07Å; F502-L508 PolarHBondContact N-O 3.01Å; F502-L508 PolarHBondContact O-N 3.22Å; F502-M521 HydrophobicContact CB-CE 3.86Å; F502-M521 HydrophobicContact CB-SD 4.08Å
503	N	90.7	Very high	93.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	14%	0.141	C	C	.	.			trans	-118.1	35.7	-171.1	64.8	-1.7	0	0	0	113.6	R403 E493 R501 T506 E507	R403-N503 WeakPolarHBondContact CD-O 3.4Å; R403-N503 PolarHBondContact NE-O 3.23Å; R403-N503 VanDerWaalsContact NH2-CG 3.27Å; R403-N503 PolarHBondContact NH2-ND2 3.2Å; R403-N503 VanDerWaalsContact NH2-ND2 3.1Å; R403-N503 PolarHBondContact NH2-OD1 2.55Å; E493-N503 PolarHBondContact OE2-ND2 3.27Å; R501-N503 HydrophobicContact CB-CB 4.27Å; N503-T506 WeakPolarHBondContact CA-O 3.37Å; N503-E507 VanDerWaalsContact CB-OE1 3.31Å; N503-E507 WeakPolarHBondContact CB-OE1 3.21Å
504	S	83.3	Confident	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-72.7	-42.7	173.2	-165.5	0	0	0	0	111.7	R287 G488	R287-S504 WeakPolarHBondContact CD-O 3.46Å; R287-S504 WeakPolarHBondContact CG-O 3.36Å; G488-S504 WeakPolarHBondContact CA-OG 3.33Å; G488-S504 WeakPolarHBondContact O-CB 3.38Å; G488-S504 PolarHBondContact O-OG 3.26Å
505	V	74.9	Confident	92.2	Very high	58 Å²	58	38.4 Å²	38.4	35%	0.352	22%	0.218	S	C	.	.	S	Bend	trans	-121.9	-46.8	-177.7	-177.6	0	0	0	0	111.6
506	T	78.2	Confident	92	Very high	48 Å²	48	42.4 Å²	42.4	29%	0.294	24%	0.237	S	C	.	.	S	Bend	trans	-126	145.6	179.9	43.4	0	0	0	0	108.8	N503 L508	N503-T506 WeakPolarHBondContact CA-O 3.37Å; T506-L508 VanDerWaalsContact C-N 3.32Å; T506-L508 PolarHBondContact O-N 2.81Å; T506-L508 WeakPolarHBondContact OG1-CG 3.46Å
507	E	88.4	Confident	91.9	Very high	49 Å²	49	42.8 Å²	42.8	23%	0.229	24%	0.237	C	C	.	.			trans	-73	85.9	175.7	-71.2	-66.6	143.3	0	0	110.2	H442 R501 N503 C524	H442-E507 HydrophobicContact CB-CG 4.26Å; H442-E507 IonicContact CD2-OE1 3.17Å; H442-E507 IonicContact CD2-OE2 3.4Å; H442-E507 PolarHBondContact CD2-OE2 2.91Å; H442-E507 VanDerWaalsContact CD2-OE2 3.25Å; H442-E507 IonicContact CG-OE2 3.98Å; R501-E507 IonicContact NH1-OE2 3.06Å; R501-E507 PolarHBondContact NH1-OE2 2.88Å; N503-E507 VanDerWaalsContact CB-OE1 3.31Å; N503-E507 WeakPolarHBondContact CB-OE1 3.21Å; E507-C524 PolarHBondContact O-N 3.28Å
508	L	94.8	Very high	91.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.4	176.8	-59.4	-176.8	0	0	0	111.5	Y466 P473 T474 R501 F502 T506 M521 R522 C524	Y466-L508 HydrophobicContact CE1-CD1 4.03Å; P473-L508 HydrophobicContact CB-CD1 4.34Å; P473-L508 WeakPolarHBondContact O-CD1 3.3Å; T474-L508 HydrophobicContact CG2-CD2 4.03Å; R501-L508 CarbonylContact C-O 3.52Å; R501-L508 VanDerWaalsContact CA-O 3.23Å; R501-L508 WeakPolarHBondContact CA-O 3.37Å; F502-L508 HydrophobicContact CB-CB 4.33Å; F502-L508 HydrophobicContact CD1-CB 4.36Å; F502-L508 HydrophobicContact CD1-CD1 4.07Å; F502-L508 PolarHBondContact N-O 3.01Å; F502-L508 PolarHBondContact O-N 3.22Å; T506-L508 VanDerWaalsContact C-N 3.32Å; T506-L508 PolarHBondContact O-N 2.81Å; T506-L508 WeakPolarHBondContact OG1-CG 3.46Å; L508-M521 HydrophobicContact CB-CB 4.23Å; L508-M521 HydrophobicContact CB-SD 4.35Å; L508-M521 HydrophobicContact CD1-CB 4.09Å; L508-R522 CarbonylContact C-O 3.51Å; L508-R522 VanDerWaalsContact CA-O 3.25Å; L508-R522 WeakPolarHBondContact CA-O 3.34Å; L508-C524 PolarHBondContact O-SG 2.82Å
509	C	96.8	Very high	91.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.7	178.8	-80	0	0	0	0	108.8	E511 M521 R522 C524 I535	C509-E511 PolarHBondContact O-N 2.92Å; C509-M521 WeakPolarHBondContact O-CA 3.28Å; C509-R522 HydrophobicContact CB-CG 4.49Å; C509-R522 PolarHBondContact N-O 3.28Å; C509-R522 PolarHBondContact O-N 3.33Å; C509-C524 VanDerWaalsContact CA-SG 3.54Å; C509-C524 HydrophobicContact CB-CB 4.16Å; C509-C524 WeakPolarHBondContact CB-SG 3.44Å; C509-C524 PolarHBondContact N-SG 2.85Å; C509-C524 VanDerWaalsContact SG-CA 3.58Å; C509-C524 WeakPolarHBondContact SG-CB 3.49Å; C509-C524 CovalentContact SG-SG 2.05Å; C509-C524 PolarHBondContact SG-SG 2.99Å; C509-I535 HydrophobicContact CB-CB 4.38Å; C509-I535 HydrophobicContact CB-CD1 4.17Å; C509-I535 HydrophobicContact CB-CG2 4.28Å
510	A	97.3	Very high	91.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.6	176	0	0	0	0	0	110.4	I500 I519 G520 M521 I535 W537	I500-A510 HydrophobicContact CB-CB 4.11Å; I500-A510 HydrophobicContact CG2-CB 4.27Å; I500-A510 PolarHBondContact O-N 3.19Å; A510-I519 HydrophobicContact CB-CG2 4.1Å; A510-G520 WeakPolarHBondContact CA-O 3.45Å; A510-M521 VanDerWaalsContact CA-SD 3.57Å; A510-M521 HydrophobicContact CB-CE 4.21Å; A510-M521 HydrophobicContact CB-SD 4.07Å; A510-I535 WeakPolarHBondContact O-CA 3.17Å; A510-W537 HydrophobicContact CB-CZ2 3.87Å; A510-W537 PolarHBondContact O-NE1 3.28Å
511	E	97.1	Very high	91.8	Very high	25 Å²	25	36.6 Å²	36.6	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.4	-175.4	-175.1	170.7	-128.4	0	0	111.7	C509 L513 G520 R522 S534 I535	C509-E511 PolarHBondContact O-N 2.92Å; E511-L513 HydrophobicContact CG-CD2 4.11Å; E511-G520 PolarHBondContact N-O 3.13Å; E511-G520 PolarHBondContact O-N 3.41Å; E511-R522 HydrophobicContact CB-CG 4.11Å; E511-R522 VanDerWaalsContact OE1-CD 3.25Å; E511-R522 WeakPolarHBondContact OE1-CD 3.35Å; E511-R522 IonicContact OE1-NH1 3.99Å; E511-R522 PolarHBondContact OE1-NH1 2.89Å; E511-R522 WeakPolarHBondContact OE2-CD 3.46Å; E511-S534 WeakPolarHBondContact CA-O 3.42Å; E511-S534 PolarHBondContact OE1-OG 2.82Å; E511-I535 HydrophobicContact CB-CG2 3.95Å; E511-I535 HydrophobicContact CG-CG2 4.13Å
512	V	96.6	Very high	91.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	23%	0.232	C	C	.	.			trans	-117.5	114.5	165.3	-176.5	0	0	0	0	109.1	I519 S534 W537 M568	V512-I519 HydrophobicContact CG2-CG1 4.12Å; V512-S534 PolarHBondContact N-O 2.79Å; V512-S534 VanDerWaalsContact N-O 3.1Å; V512-W537 HydrophobicContact CG2-CH2 3.45Å; V512-W537 VanDerWaalsContact CG2-CH2 3.45Å; V512-W537 HydrophobicContact CG2-CZ2 3.92Å; V512-W537 HydrophobicContact CG2-CZ3 4.38Å; V512-M568 HydrophobicContact CG1-CG 4.11Å; V512-M568 HydrophobicContact CG2-CE 4.4Å; V512-M568 HydrophobicContact CG2-CG 3.89Å; V512-M568 HydrophobicContact CG2-SD 3.95Å
513	L	93.1	Very high	91.7	Very high	84 Å²	84	45.1 Å²	45.1	44%	0.44	25%	0.253	S	S	.	.			trans	-73.7	152	175.5	-61.4	179.1	0	0	0	111.1	E511 G515 Q516	E511-L513 HydrophobicContact CG-CD2 4.11Å; L513-G515 PolarHBondContact O-N 2.91Å; L513-Q516 HydrophobicContact CB-CB 4.41Å; L513-Q516 HydrophobicContact CB-CG 4.08Å; L513-Q516 WeakPolarHBondContact O-CB 3.3Å; L513-Q516 PolarHBondContact O-N 3.31Å
514	E	88.9	Confident	91.8	Very high	176 Å²	176	45.9 Å²	45.9	82%	0.822	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	131.2	-178.3	-168.2	176.2	-178.2	0	0	111.6	Q516	E514-Q516 PolarHBondContact O-N 3.2Å
515	G	86.9	Confident	92.3	Very high	86 Å²	86	46.5 Å²	46.5	89%	0.887	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-2.9	-177.8	0	0	0	0	0	115.5	L513	L513-G515 PolarHBondContact O-N 2.91Å
516	Q	92.6	Very high	92.9	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	28%	0.28	S	S	.	.			trans	-91.8	154.3	175.8	-61.8	-165.5	-13.2	0	0	112.1	L513 E514	L513-Q516 HydrophobicContact CB-CB 4.41Å; L513-Q516 HydrophobicContact CB-CG 4.08Å; L513-Q516 WeakPolarHBondContact O-CB 3.3Å; L513-Q516 PolarHBondContact O-N 3.31Å; E514-Q516 PolarHBondContact O-N 3.2Å
517	T	93.8	Very high	93.3	Very high	76 Å²	76	54.9 Å²	54.9	47%	0.466	29%	0.289	S	S	.	.			trans	-114.5	-9.4	175	54.2	0	0	0	0	112.9	M568	T517-M568 WeakPolarHBondContact O-CG 3.47Å; T517-M568 PolarHBondContact O-N 2.92Å
518	S	94.7	Very high	93.1	Very high	22 Å²	22	56.3 Å²	56.3	15%	0.154	32%	0.317	C	S	.	.	S	Bend	trans	-82.7	153.9	170.4	49.7	0	0	0	0	110.7	Q477	Q477-S518 VanDerWaalsContact CD-CB 3.44Å; Q477-S518 PolarHBondContact NE2-OG 2.89Å
519	I	96.9	Very high	92.9	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	34%	0.338	C	S	.	.			trans	-106	113.5	178	-55.3	161.9	0	0	0	106.6	Q477 L478 A510 V512 W537 V554 M568	Q477-I519 WeakPolarHBondContact CA-O 3.35Å; L478-I519 HydrophobicContact CB-CB 4.01Å; L478-I519 HydrophobicContact CB-CG2 4.09Å; L478-I519 HydrophobicContact CD2-CB 4.28Å; L478-I519 HydrophobicContact CD2-CD1 4.2Å; L478-I519 HydrophobicContact CD2-CG2 3.88Å; L478-I519 PolarHBondContact N-O 2.88Å; A510-I519 HydrophobicContact CB-CG2 4.1Å; V512-I519 HydrophobicContact CG2-CG1 4.12Å; I519-W537 HydrophobicContact CD1-CH2 4.4Å; I519-W537 HydrophobicContact CG1-CH2 4.23Å; I519-W537 HydrophobicContact CG2-CH2 3.98Å; I519-W537 HydrophobicContact CG2-CZ2 4.05Å; I519-V554 HydrophobicContact CD1-CB 4.37Å; I519-V554 HydrophobicContact CD1-CG1 3.79Å; I519-V554 HydrophobicContact CD1-CG2 3.83Å; I519-M568 HydrophobicContact CD1-SD 3.77Å; I519-M568 HydrophobicContact CG1-CG 4.07Å; I519-M568 HydrophobicContact CG1-SD 3.7Å
520	G	95.6	Very high	92.7	Very high	20 Å²	20	65.4 Å²	65.4	21%	0.206	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-175.4	176.2	0	0	0	0	0	112	A510 E511	A510-G520 WeakPolarHBondContact CA-O 3.45Å; E511-G520 PolarHBondContact N-O 3.13Å; E511-G520 PolarHBondContact O-N 3.41Å
521	M	95.5	Very high	92.5	Very high	9 Å²	9	67.5 Å²	67.5	4%	0.044	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.3	169.6	-68.9	-66.2	175.5	0	0	109.6	Y466 T474 L478 F492 F502 L508 C509 A510	Y466-M521 HydrophobicContact CD1-CG 4.04Å; Y466-M521 HydrophobicContact CD2-CE 3.89Å; Y466-M521 HydrophobicContact CD2-CG 3.6Å; Y466-M521 HydrophobicContact CE1-CB 4.17Å; Y466-M521 HydrophobicContact CE1-CG 3.71Å; Y466-M521 HydrophobicContact CE2-CB 3.97Å; Y466-M521 HydrophobicContact CE2-CE 4.47Å; Y466-M521 HydrophobicContact CE2-CG 3.25Å; Y466-M521 HydrophobicContact CG-CE 3.97Å; Y466-M521 HydrophobicContact CG-CG 3.98Å; T474-M521 VanDerWaalsContact CB-O 3.31Å; T474-M521 WeakPolarHBondContact CB-O 3.46Å; L478-M521 HydrophobicContact CD1-CE 3.98Å; F492-M521 HydrophobicContact CE1-CE 3.79Å; F502-M521 HydrophobicContact CB-CE 3.86Å; F502-M521 HydrophobicContact CB-SD 4.08Å; L508-M521 HydrophobicContact CB-CB 4.23Å; L508-M521 HydrophobicContact CB-SD 4.35Å; L508-M521 HydrophobicContact CD1-CB 4.09Å; C509-M521 WeakPolarHBondContact O-CA 3.28Å; A510-M521 VanDerWaalsContact CA-SD 3.57Å; A510-M521 HydrophobicContact CB-CE 4.21Å; A510-M521 HydrophobicContact CB-SD 4.07Å
522	R	94.6	Very high	92.4	Very high	88 Å²	88	67.8 Å²	67.8	33%	0.332	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.3	169.3	62.8	172	-76.6	156.4	3	110.3	L508 C509 E511 C524 I535	L508-R522 CarbonylContact C-O 3.51Å; L508-R522 VanDerWaalsContact CA-O 3.25Å; L508-R522 WeakPolarHBondContact CA-O 3.34Å; C509-R522 HydrophobicContact CB-CG 4.49Å; C509-R522 PolarHBondContact N-O 3.28Å; C509-R522 PolarHBondContact O-N 3.33Å; E511-R522 HydrophobicContact CB-CG 4.11Å; E511-R522 VanDerWaalsContact OE1-CD 3.25Å; E511-R522 WeakPolarHBondContact OE1-CD 3.35Å; E511-R522 IonicContact OE1-NH1 3.99Å; E511-R522 PolarHBondContact OE1-NH1 2.89Å; E511-R522 WeakPolarHBondContact OE2-CD 3.46Å; R522-C524 PolarHBondContact O-N 3Å; R522-I535 HydrophobicContact CG-CG2 4.01Å
523	H	94.2	Very high	92.4	Very high	112 Å²	112	71.6 Å²	71.6	52%	0.519	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	129.8	166.6	-68.2	-68.4	0	0	0	110.3
524	C	94	Very high	92.5	Very high	19 Å²	19	68.3 Å²	68.3	13%	0.128	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-62	143.4	174.2	-68.6	0	0	0	0	110.1	E507 L508 C509 R522	E507-C524 PolarHBondContact O-N 3.28Å; L508-C524 PolarHBondContact O-SG 2.82Å; C509-C524 VanDerWaalsContact CA-SG 3.54Å; C509-C524 HydrophobicContact CB-CB 4.16Å; C509-C524 WeakPolarHBondContact CB-SG 3.44Å; C509-C524 PolarHBondContact N-SG 2.85Å; C509-C524 VanDerWaalsContact SG-CA 3.58Å; C509-C524 WeakPolarHBondContact SG-CB 3.49Å; C509-C524 CovalentContact SG-SG 2.05Å; C509-C524 PolarHBondContact SG-SG 2.99Å; R522-C524 PolarHBondContact O-N 3Å
525	P	93	Very high	92.9	Very high	13 Å²	13	60 Å²	60	8%	0.084	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-57.5	152.7	167.8	-19.9	31.9	0	0	0	111	E529 I535	P525-E529 HydrophobicContact CB-CB 4.07Å; P525-I535 HydrophobicContact CG-CD1 3.91Å
526	R	87.9	Confident	93.4	Very high	188 Å²	188	57.7 Å²	57.7	71%	0.709	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-67	160.5	176	-60.4	179.7	178.8	176.8	0.3	110.9	G528 E529	R526-G528 PolarHBondContact O-N 2.84Å; R526-E529 HydrophobicContact CB-CG 4Å; R526-E529 PolarHBondContact N-OE2 2.67Å; R526-E529 WeakPolarHBondContact O-CB 3.21Å; R526-E529 PolarHBondContact O-N 3.15Å
527	D	86.3	Confident	93.7	Very high	94 Å²	94	53.7 Å²	53.7	50%	0.503	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130.2	174	-68.4	-20.6	0	0	0	110.1	H442 E529	H442-D527 IonicContact CE1-OD1 3.7Å; H442-D527 PolarHBondContact CE1-OD1 3.32Å; H442-D527 IonicContact CG-OD2 2.7Å; H442-D527 IonicContact ND1-OD1 3.25Å; H442-D527 PolarHBondContact ND1-OD1 3.34Å; H442-D527 IonicContact ND1-OD2 3.84Å; H442-D527 PolarHBondContact ND1-OD2 3.08Å; D527-E529 VanDerWaalsContact C-N 3.35Å; D527-E529 PolarHBondContact O-N 2.84Å
528	G	85.3	Confident	93.9	Very high	78 Å²	78	51.9 Å²	51.9	80%	0.804	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-13.6	-174.5	0	0	0	0	0	116.5	R526	R526-G528 PolarHBondContact O-N 2.84Å
529	E	90.3	Very high	93.9	Very high	97 Å²	97	52 Å²	52	45%	0.453	29%	0.292	S	S	.	.	S	Bend	trans	-73	162.3	175.9	-69.9	-179.4	171.8	0	0	112.4	P525 R526 D527 K531	P525-E529 HydrophobicContact CB-CB 4.07Å; R526-E529 HydrophobicContact CB-CG 4Å; R526-E529 PolarHBondContact N-OE2 2.67Å; R526-E529 WeakPolarHBondContact O-CB 3.21Å; R526-E529 PolarHBondContact O-N 3.15Å; D527-E529 VanDerWaalsContact C-N 3.35Å; D527-E529 PolarHBondContact O-N 2.84Å; E529-K531 WeakPolarHBondContact O-CD 3.43Å; E529-K531 WeakPolarHBondContact O-CE 3.5Å; E529-K531 PolarHBondContact O-NZ 2.91Å
530	A	92.1	Very high	93.9	Very high	96 Å²	96	56.2 Å²	56.2	79%	0.793	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-72.6	138.7	174.9	0	0	0	0	0	110.9
531	K	93.5	Very high	93.6	Very high	45 Å²	45	65.2 Å²	65.2	20%	0.196	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-94	125.2	-176	-77.4	48.2	177.4	-173.2	0	108.7	Q497 E529 I535 I536	Q497-K531 VanDerWaalsContact OE1-NZ 3.12Å; E529-K531 WeakPolarHBondContact O-CD 3.43Å; E529-K531 WeakPolarHBondContact O-CE 3.5Å; E529-K531 PolarHBondContact O-NZ 2.91Å; K531-I535 HydrophobicContact CB-CD1 4.47Å; K531-I535 HydrophobicContact CG-CD1 4.48Å; K531-I536 HydrophobicContact CB-CD1 3.95Å
532	P	95.3	Very high	93.5	Very high	30 Å²	30	68.1 Å²	68.1	20%	0.195	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-64.8	142.7	178.6	24.1	-29.7	0	0	0	110	S534 I535	P532-S534 PolarHBondContact O-N 3.21Å; P532-I535 HydrophobicContact CG-CD1 3.95Å; P532-I535 HydrophobicContact CG-CG1 3.87Å; P532-I535 HydrophobicContact CG-CG2 4.19Å; P532-I535 WeakPolarHBondContact O-CG1 3.49Å; P532-I535 PolarHBondContact O-N 3.23Å
533	P	95.6	Very high	93.5	Very high	81 Å²	81	64.4 Å²	64.4	53%	0.526	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-56.7	-24.6	178.1	-27.1	35.3	0	0	0	114.2	I535 I536 H549	P533-I535 PolarHBondContact O-N 3.39Å; P533-I536 PolarHBondContact O-N 2.74Å; P533-H549 HydrophobicContact CB-CB 4.12Å; P533-H549 WeakPolarHBondContact O-CB 3.42Å
534	S	96.2	Very high	93.6	Very high	16 Å²	16	59.2 Å²	59.2	11%	0.112	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-69.5	-11	-179.4	57.8	0	0	0	0	115.1	E511 V512 P532 H547	E511-S534 WeakPolarHBondContact CA-O 3.42Å; E511-S534 PolarHBondContact OE1-OG 2.82Å; V512-S534 PolarHBondContact N-O 2.79Å; V512-S534 VanDerWaalsContact N-O 3.1Å; P532-S534 PolarHBondContact O-N 3.21Å; S534-H547 PolarHBondContact O-NE2 3.03Å; S534-H547 VanDerWaalsContact O-NE2 3.12Å
535	I	97.1	Very high	93.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-114.6	8.6	177.7	70	170.9	0	0	0	113.4	E499 C509 A510 E511 R522 P525 K531 P532 P533 W537	E499-I535 HydrophobicContact CG-CD1 4.28Å; C509-I535 HydrophobicContact CB-CB 4.38Å; C509-I535 HydrophobicContact CB-CD1 4.17Å; C509-I535 HydrophobicContact CB-CG2 4.28Å; A510-I535 WeakPolarHBondContact O-CA 3.17Å; E511-I535 HydrophobicContact CB-CG2 3.95Å; E511-I535 HydrophobicContact CG-CG2 4.13Å; R522-I535 HydrophobicContact CG-CG2 4.01Å; P525-I535 HydrophobicContact CG-CD1 3.91Å; K531-I535 HydrophobicContact CB-CD1 4.47Å; K531-I535 HydrophobicContact CG-CD1 4.48Å; P532-I535 HydrophobicContact CG-CD1 3.95Å; P532-I535 HydrophobicContact CG-CG1 3.87Å; P532-I535 HydrophobicContact CG-CG2 4.19Å; P532-I535 WeakPolarHBondContact O-CG1 3.49Å; P532-I535 PolarHBondContact O-N 3.23Å; P533-I535 PolarHBondContact O-N 3.39Å; I535-W537 PolarHBondContact O-NE1 2.68Å
536	I	98	Very high	94	Very high	39 Å²	39	59.7 Å²	59.7	20%	0.2	33%	0.326	C	S	.	.			trans	-90.9	128.5	-178.4	-59.1	-58.4	0	0	0	109.3	K498 K531 P533 H547 P548	K498-I536 HydrophobicContact CB-CG2 4.07Å; K498-I536 HydrophobicContact CD-CG2 4.3Å; K531-I536 HydrophobicContact CB-CD1 3.95Å; P533-I536 PolarHBondContact O-N 2.74Å; I536-H547 PolarHBondContact O-CD2 2.04Å; I536-P548 HydrophobicContact CG2-CG 4.48Å; I536-P548 VanDerWaalsContact O-CD 3.22Å; I536-P548 WeakPolarHBondContact O-CD 3.44Å
537	W	98.1	Very high	94.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.008	29%	0.292	C	S	.	.			trans	-130.4	133.5	-176.3	-57.3	91.6	0	0	0	111	Y494 K498 I500 A510 V512 I519 I535 I545 Y546 H547 V554 M568	Y494-W537 HydrophobicContact CE2-CB 4.31Å; Y494-W537 VanDerWaalsContact CE2-O 3.28Å; Y494-W537 WeakPolarHBondContact CE2-O 3.32Å; Y494-W537 PolarHBondContact OH-O 2.94Å; K498-W537 WeakPolarHBondContact CB-O 3.37Å; K498-W537 PolarHBondContact O-N 2.89Å; I500-W537 HydrophobicContact CB-CG 4.43Å; I500-W537 HydrophobicContact CD1-CB 3.81Å; I500-W537 HydrophobicContact CD1-CD2 3.78Å; I500-W537 HydrophobicContact CD1-CE3 4.2Å; I500-W537 HydrophobicContact CD1-CG 3.6Å; I500-W537 HydrophobicContact CG1-CB 3.92Å; I500-W537 HydrophobicContact CG1-CD2 4.41Å; I500-W537 HydrophobicContact CG1-CG 3.78Å; A510-W537 HydrophobicContact CB-CZ2 3.87Å; A510-W537 PolarHBondContact O-NE1 3.28Å; V512-W537 HydrophobicContact CG2-CH2 3.45Å; V512-W537 VanDerWaalsContact CG2-CH2 3.45Å; V512-W537 HydrophobicContact CG2-CZ2 3.92Å; V512-W537 HydrophobicContact CG2-CZ3 4.38Å; I519-W537 HydrophobicContact CD1-CH2 4.4Å; I519-W537 HydrophobicContact CG1-CH2 4.23Å; I519-W537 HydrophobicContact CG2-CH2 3.98Å; I519-W537 HydrophobicContact CG2-CZ2 4.05Å; I535-W537 PolarHBondContact O-NE1 2.68Å; W537-I545 HydrophobicContact CE3-CG2 3.73Å; W537-I545 HydrophobicContact CZ3-CG2 4.26Å; W537-Y546 CarbonylContact C-O 3.57Å; W537-Y546 WeakPolarHBondContact CA-O 3.37Å; W537-H547 HydrophobicContact CE3-CB 3.81Å; W537-H547 AromaticContact CE3-CD2 4Å; W537-H547 HydrophobicContact CH2-CB 4.4Å; W537-H547 HydrophobicContact CZ3-CB 3.68Å; W537-V554 HydrophobicContact CE3-CG2 4.37Å; W537-V554 HydrophobicContact CH2-CG2 4.38Å; W537-V554 HydrophobicContact CZ3-CG2 3.65Å; W537-M568 HydrophobicContact CH2-CE 4.49Å; W537-M568 HydrophobicContact CH2-SD 4.15Å; W537-M568 HydrophobicContact CZ3-CE 4.02Å; W537-M568 HydrophobicContact CZ3-SD 4.07Å
538	D	97.7	Very high	95	Very high	39 Å²	39	48.5 Å²	48.5	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.3	170.8	-78.1	-32.1	0	0	0	109.3	K498 K540 Y546	K498-D538 WeakPolarHBondContact CD-OD1 3.37Å; K498-D538 WeakPolarHBondContact CE-OD1 3.31Å; K498-D538 IonicContact NZ-OD1 3.95Å; K498-D538 PolarHBondContact NZ-OD1 3.09Å; D538-K540 PolarHBondContact O-N 2.91Å; D538-Y546 HydrophobicContact CB-CD1 3.97Å; D538-Y546 PolarHBondContact N-O 2.75Å; D538-Y546 PolarHBondContact O-N 3.25Å
539	F	95.9	Very high	95.5	Very high	25 Å²	25	49.3 Å²	49.3	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	103.5	171.6	-149.9	-52.5	0	0	0	108.8	W450 Y494 I545 W580 F582	W450-F539 HydrophobicContact CH2-CB 3.83Å; W450-F539 HydrophobicContact CH2-CD1 4.08Å; W450-F539 HydrophobicContact CH2-CG 4.02Å; W450-F539 HydrophobicContact CZ3-CB 3.53Å; W450-F539 AromaticContact CZ3-CD1 3.78Å; W450-F539 HydrophobicContact CZ3-CD1 3.78Å; W450-F539 AromaticContact CZ3-CD2 3.82Å; W450-F539 HydrophobicContact CZ3-CD2 3.82Å; W450-F539 HydrophobicContact CZ3-CE1 4.43Å; W450-F539 HydrophobicContact CZ3-CE2 4.46Å; W450-F539 AromaticContact CZ3-CG 3.44Å; W450-F539 HydrophobicContact CZ3-CG 3.44Å; W450-F539 VanDerWaalsContact CZ3-CG 3.44Å; Y494-F539 HydrophobicContact CD1-CB 4.21Å; Y494-F539 HydrophobicContact CD2-CB 4.49Å; Y494-F539 HydrophobicContact CE1-CB 3.86Å; Y494-F539 HydrophobicContact CE2-CB 4.19Å; Y494-F539 HydrophobicContact CG-CB 4.49Å; Y494-F539 PolarHBondContact OH-N 3.37Å; F539-I545 HydrophobicContact CD1-CG1 4.47Å; F539-I545 HydrophobicContact CD2-CD1 4.2Å; F539-I545 HydrophobicContact CD2-CG1 3.8Å; F539-I545 HydrophobicContact CE1-CG1 4.32Å; F539-I545 HydrophobicContact CE2-CD1 3.69Å; F539-I545 HydrophobicContact CE2-CG1 3.63Å; F539-I545 HydrophobicContact CG-CG1 4.21Å; F539-I545 HydrophobicContact CZ-CD1 4.13Å; F539-I545 HydrophobicContact CZ-CG1 3.91Å; F539-W580 HydrophobicContact CZ-CB 3.89Å; F539-F582 AromaticContact CD2-CE2 3.91Å; F539-F582 HydrophobicContact CD2-CE2 3.91Å; F539-F582 AromaticContact CE2-CD2 3.9Å; F539-F582 HydrophobicContact CE2-CD2 3.9Å; F539-F582 AromaticContact CE2-CE2 3.53Å; F539-F582 HydrophobicContact CE2-CE2 3.53Å; F539-F582 HydrophobicContact CE2-CZ 4.48Å; F539-F582 HydrophobicContact CZ-CD2 4.25Å; F539-F582 HydrophobicContact CZ-CE2 4.33Å
540	K	94.9	Very high	95.7	Very high	89 Å²	89	46.4 Å²	46.4	39%	0.387	26%	0.256	S	S	.	.			trans	-81.1	160.1	-173.2	-66.1	-178.4	-177.4	173.6	0	111.9	D538 D542 G543 T544	D538-K540 PolarHBondContact O-N 2.91Å; K540-D542 WeakPolarHBondContact CB-OD1 3.28Å; K540-D542 PolarHBondContact O-N 3.01Å; K540-G543 PolarHBondContact O-N 3.48Å; K540-T544 PolarHBondContact N-O 3.35Å
541	Q	91	Very high	95.9	Very high	210 Å²	210	47 Å²	47	98%	0.981	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.4	179.2	-70	-177.2	-11.9	0	0	113.6	G543	Q541-G543 PolarHBondContact O-N 3.02Å
542	D	92.4	Very high	96.1	Very high	69 Å²	69	46.7 Å²	46.7	37%	0.369	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.3	176.1	62.9	6.1	0	0	0	113.4	K540 T544	K540-D542 WeakPolarHBondContact CB-OD1 3.28Å; K540-D542 PolarHBondContact O-N 3.01Å; D542-T544 WeakPolarHBondContact OD1-CB 3.07Å; D542-T544 PolarHBondContact OD1-N 2.05Å; D542-T544 PolarHBondContact OD1-OG1 3.27Å; D542-T544 PolarHBondContact OD2-OG1 2.79Å
543	G	94.1	Very high	96.2	Very high	11 Å²	11	45.3 Å²	45.3	11%	0.113	24%	0.237	C	C	.	.	S	Bend	trans	89.9	-1.9	-177.1	0	0	0	0	0	113.9	K540 Q541 I545 W580	K540-G543 PolarHBondContact O-N 3.48Å; Q541-G543 PolarHBondContact O-N 3.02Å; G543-I545 PolarHBondContact O-N 2.86Å; G543-W580 WeakPolarHBondContact CA-O 3.11Å; G543-W580 PolarHBondContact O-N 3.36Å
544	T	97.1	Very high	96.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-72.9	129.3	-179.2	-49	0	0	0	0	111.2	K540 D542 C553 Q578	K540-T544 PolarHBondContact N-O 3.35Å; D542-T544 WeakPolarHBondContact OD1-CB 3.07Å; D542-T544 PolarHBondContact OD1-N 2.05Å; D542-T544 PolarHBondContact OD1-OG1 3.27Å; D542-T544 PolarHBondContact OD2-OG1 2.79Å; T544-C553 HydrophobicContact CG2-CB 3.89Å; T544-C553 WeakPolarHBondContact CG2-SG 3.36Å; T544-Q578 WeakPolarHBondContact CA-O 3.39Å
545	I	97.9	Very high	96.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	101	169.6	-56.7	174.8	0	0	0	108.1	V454 L464 I500 W537 F539 G543 C553 V554 W580	V454-I545 HydrophobicContact CG1-CD1 4.18Å; L464-I545 HydrophobicContact CD1-CD1 4.5Å; I500-I545 HydrophobicContact CD1-CG2 3.7Å; W537-I545 HydrophobicContact CE3-CG2 3.73Å; W537-I545 HydrophobicContact CZ3-CG2 4.26Å; F539-I545 HydrophobicContact CD1-CG1 4.47Å; F539-I545 HydrophobicContact CD2-CD1 4.2Å; F539-I545 HydrophobicContact CD2-CG1 3.8Å; F539-I545 HydrophobicContact CE1-CG1 4.32Å; F539-I545 HydrophobicContact CE2-CD1 3.69Å; F539-I545 HydrophobicContact CE2-CG1 3.63Å; F539-I545 HydrophobicContact CG-CG1 4.21Å; F539-I545 HydrophobicContact CZ-CD1 4.13Å; F539-I545 HydrophobicContact CZ-CG1 3.91Å; G543-I545 PolarHBondContact O-N 2.86Å; I545-C553 VanDerWaalsContact O-CA 3.28Å; I545-C553 WeakPolarHBondContact O-CA 3.14Å; I545-V554 HydrophobicContact CB-CB 4.07Å; I545-V554 HydrophobicContact CB-CG2 3.84Å; I545-V554 HydrophobicContact CG2-CB 4.38Å; I545-V554 HydrophobicContact CG2-CG2 3.59Å; I545-V554 PolarHBondContact O-N 3.27Å; I545-W580 HydrophobicContact CD1-CB 3.67Å; I545-W580 HydrophobicContact CD1-CD2 4.15Å; I545-W580 HydrophobicContact CD1-CG 3.5Å; I545-W580 HydrophobicContact CG1-CB 4Å; I545-W580 HydrophobicContact CG1-CG 3.93Å
546	Y	98.1	Very high	96.4	Very high	39 Å²	39	41 Å²	41	15%	0.153	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.4	-178.9	173.7	-120.2	0	0	0	111.2	W537 D538 P548 D551 M552 C571	W537-Y546 CarbonylContact C-O 3.57Å; W537-Y546 WeakPolarHBondContact CA-O 3.37Å; D538-Y546 HydrophobicContact CB-CD1 3.97Å; D538-Y546 PolarHBondContact N-O 2.75Å; D538-Y546 PolarHBondContact O-N 3.25Å; Y546-P548 HydrophobicContact CD1-CG 3.95Å; Y546-P548 HydrophobicContact CE1-CB 3.96Å; Y546-P548 HydrophobicContact CE1-CG 3.8Å; Y546-D551 WeakPolarHBondContact CE2-OD1 3.5Å; Y546-D551 PolarHBondContact OH-OD1 3.36Å; Y546-M552 WeakPolarHBondContact CD2-O 3.26Å; Y546-C571 VanDerWaalsContact CD2-SG 3.57Å
547	H	97.9	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	102.6	174.6	-177.2	-107.3	0	0	0	109.8	S534 I536 W537 H549 S550 D551 M552 M568	S534-H547 PolarHBondContact O-NE2 3.03Å; S534-H547 VanDerWaalsContact O-NE2 3.12Å; I536-H547 PolarHBondContact O-CD2 2.04Å; W537-H547 HydrophobicContact CE3-CB 3.81Å; W537-H547 AromaticContact CE3-CD2 4Å; W537-H547 HydrophobicContact CH2-CB 4.4Å; W537-H547 HydrophobicContact CZ3-CB 3.68Å; H547-H549 VanDerWaalsContact C-N 3.31Å; H547-H549 PolarHBondContact O-N 2.97Å; H547-S550 WeakPolarHBondContact ND1-CB 3.03Å; H547-S550 PolarHBondContact ND1-N 3.44Å; H547-S550 PolarHBondContact ND1-OG 2.92Å; H547-S550 PolarHBondContact O-N 3.2Å; H547-D551 PolarHBondContact O-N 3.14Å; H547-D551 VanDerWaalsContact O-N 3.08Å; H547-M552 PolarHBondContact N-O 2.8Å; H547-M568 HydrophobicContact CB-CE 3.48Å; H547-M568 VanDerWaalsContact CB-CE 3.48Å
548	P	96.7	Very high	96.2	Very high	48 Å²	48	48.5 Å²	48.5	31%	0.312	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36	-172.2	-26.8	36.2	0	0	0	114.6	I536 Y546 S550 D551	I536-P548 HydrophobicContact CG2-CG 4.48Å; I536-P548 VanDerWaalsContact O-CD 3.22Å; I536-P548 WeakPolarHBondContact O-CD 3.44Å; Y546-P548 HydrophobicContact CD1-CG 3.95Å; Y546-P548 HydrophobicContact CE1-CB 3.96Å; Y546-P548 HydrophobicContact CE1-CG 3.8Å; P548-S550 PolarHBondContact O-N 3.4Å; P548-D551 PolarHBondContact O-N 2.9Å
549	H	95.8	Very high	96	Very high	95 Å²	95	47.9 Å²	47.9	44%	0.44	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.5	-175.5	179.6	-107.6	0	0	0	113.2	P533 H547	P533-H549 HydrophobicContact CB-CB 4.12Å; P533-H549 WeakPolarHBondContact O-CB 3.42Å; H547-H549 VanDerWaalsContact C-N 3.31Å; H547-H549 PolarHBondContact O-N 2.97Å
550	S	95.3	Very high	95.7	Very high	36 Å²	36	53.3 Å²	53.3	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.4	178	69.1	0	0	0	0	114.1	H547 P548 M552	H547-S550 WeakPolarHBondContact ND1-CB 3.03Å; H547-S550 PolarHBondContact ND1-N 3.44Å; H547-S550 PolarHBondContact ND1-OG 2.92Å; H547-S550 PolarHBondContact O-N 3.2Å; P548-S550 PolarHBondContact O-N 3.4Å; S550-M552 WeakPolarHBondContact O-CG 3.33Å; S550-M552 PolarHBondContact O-N 3.41Å
551	D	95.8	Very high	95.6	Very high	109 Å²	109	54.9 Å²	54.9	58%	0.583	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.8	-173.2	-162.5	37.7	0	0	0	113.6	Y546 H547 P548	Y546-D551 WeakPolarHBondContact CE2-OD1 3.5Å; Y546-D551 PolarHBondContact OH-OD1 3.36Å; H547-D551 PolarHBondContact O-N 3.14Å; H547-D551 VanDerWaalsContact O-N 3.08Å; P548-D551 PolarHBondContact O-N 2.9Å
552	M	97.3	Very high	95.6	Very high	38 Å²	38	46.6 Å²	46.6	19%	0.187	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.9	-177.2	-71.1	-169.2	-72.9	0	0	111.9	Y546 H547 S550 M568 R569	Y546-M552 WeakPolarHBondContact CD2-O 3.26Å; H547-M552 PolarHBondContact N-O 2.8Å; S550-M552 WeakPolarHBondContact O-CG 3.33Å; S550-M552 PolarHBondContact O-N 3.41Å; M552-M568 HydrophobicContact CB-CB 3.99Å; M552-M568 HydrophobicContact CB-CE 3.73Å; M552-M568 HydrophobicContact CE-CB 3.68Å; M552-M568 HydrophobicContact CE-CG 4.46Å; M552-M568 WeakPolarHBondContact O-CE 3.5Å; M552-M568 HydrophobicContact SD-CB 3.82Å; M552-R569 CarbonylContact C-O 3.5Å; M552-R569 WeakPolarHBondContact CA-O 3.41Å; M552-R569 WeakPolarHBondContact CB-O 3.31Å
553	C	97.9	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.4	179.6	-70.6	0	0	0	0	111.3	T544 I545 T555 R569 C571	T544-C553 HydrophobicContact CG2-CB 3.89Å; T544-C553 WeakPolarHBondContact CG2-SG 3.36Å; I545-C553 VanDerWaalsContact O-CA 3.28Å; I545-C553 WeakPolarHBondContact O-CA 3.14Å; C553-T555 PolarHBondContact O-N 2.98Å; C553-T555 PolarHBondContact O-OG1 3.28Å; C553-R569 PolarHBondContact N-O 3.14Å; C553-R569 PolarHBondContact O-N 3.38Å; C553-C571 HydrophobicContact CB-CB 3.99Å; C553-C571 WeakPolarHBondContact CB-SG 3.5Å; C553-C571 PolarHBondContact N-SG 2.92Å; C553-C571 VanDerWaalsContact N-SG 3.36Å; C553-C571 WeakPolarHBondContact SG-CB 3.3Å; C553-C571 CovalentContact SG-SG 2.04Å; C553-C571 PolarHBondContact SG-SG 2.8Å
554	V	97.9	Very high	95.7	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124	175.8	-175	0	0	0	0	109.1	I519 W537 I545 A566 M568 Q578 W580	I519-V554 HydrophobicContact CD1-CB 4.37Å; I519-V554 HydrophobicContact CD1-CG1 3.79Å; I519-V554 HydrophobicContact CD1-CG2 3.83Å; W537-V554 HydrophobicContact CE3-CG2 4.37Å; W537-V554 HydrophobicContact CH2-CG2 4.38Å; W537-V554 HydrophobicContact CZ3-CG2 3.65Å; I545-V554 HydrophobicContact CB-CB 4.07Å; I545-V554 HydrophobicContact CB-CG2 3.84Å; I545-V554 HydrophobicContact CG2-CB 4.38Å; I545-V554 HydrophobicContact CG2-CG2 3.59Å; I545-V554 PolarHBondContact O-N 3.27Å; V554-A566 HydrophobicContact CG1-CB 4.42Å; V554-M568 HydrophobicContact CG2-CE 4.49Å; V554-M568 HydrophobicContact CG2-SD 3.91Å; V554-Q578 WeakPolarHBondContact O-CA 3.14Å; V554-W580 HydrophobicContact CB-CZ2 4.46Å; V554-W580 HydrophobicContact CG1-CH2 4.46Å; V554-W580 HydrophobicContact CG1-CZ2 3.66Å; V554-W580 PolarHBondContact O-NE1 3Å
555	T	98	Very high	95.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.3	-176.2	-49.1	0	0	0	0	110.6	C553 Q567 R569 N577 Q578	C553-T555 PolarHBondContact O-N 2.98Å; C553-T555 PolarHBondContact O-OG1 3.28Å; T555-Q567 PolarHBondContact N-O 3.25Å; T555-Q567 PolarHBondContact O-N 2.97Å; T555-R569 WeakPolarHBondContact OG1-CB 3.39Å; T555-N577 HydrophobicContact CG2-CB 4.04Å; T555-Q578 HydrophobicContact CG2-CG 3.8Å; T555-Q578 VanDerWaalsContact OG1-CG 3.31Å; T555-Q578 WeakPolarHBondContact OG1-CG 3.26Å; T555-Q578 PolarHBondContact OG1-NE2 3.43Å; T555-Q578 VanDerWaalsContact OG1-NE2 3.08Å
556	A	97.6	Very high	95.5	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.6	168.8	0	0	0	0	0	110.4	S456 L459 L480 N577 W580	S456-A556 WeakPolarHBondContact OG-CB 3.33Å; L459-A556 HydrophobicContact CD1-CB 4Å; L459-A556 HydrophobicContact CG-CB 4.24Å; L480-A556 HydrophobicContact CD1-CB 3.76Å; A556-N577 HydrophobicContact CB-CB 4.17Å; A556-N577 PolarHBondContact N-O 2.94Å; A556-N577 WeakPolarHBondContact O-CB 3.28Å; A556-W580 HydrophobicContact CB-CH2 3.78Å; A556-W580 HydrophobicContact CB-CZ2 3.99Å
557	Y	96	Very high	95.5	Very high	52 Å²	52	53.7 Å²	53.7	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	174.4	177.2	77.7	-73.2	0	0	0	111.9	T559 T564 D565 Q567	Y557-T559 HydrophobicContact CE2-CG2 4.13Å; Y557-T564 WeakPolarHBondContact O-CA 3.44Å; Y557-D565 HydrophobicContact CD1-CB 4.13Å; Y557-D565 VanDerWaalsContact CD1-O 3.26Å; Y557-D565 WeakPolarHBondContact CD1-O 3.2Å; Y557-D565 HydrophobicContact CE1-CB 3.5Å; Y557-D565 HydrophobicContact CE2-CB 4.48Å; Y557-D565 PolarHBondContact N-O 3.27Å; Y557-D565 PolarHBondContact O-N 2.99Å; Y557-D565 PolarHBondContact OH-OD2 3.04Å; Y557-Q567 HydrophobicContact CD1-CB 4.15Å; Y557-Q567 HydrophobicContact CD1-CG 3.54Å; Y557-Q567 HydrophobicContact CE1-CB 3.75Å; Y557-Q567 HydrophobicContact CE1-CG 3.61Å; Y557-Q567 HydrophobicContact CG-CG 4.29Å
558	R	94.7	Very high	95.5	Very high	147 Å²	147	53.8 Å²	53.8	56%	0.555	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.5	169.9	-69.1	-177.7	180	-90.7	-1.5	110.1	G562 R563 T564	R558-G562 PolarHBondContact NH1-O 3.07Å; R558-R563 CarbonylContact C-O 3.46Å; R558-R563 WeakPolarHBondContact CA-O 3.45Å; R558-T564 HydrophobicContact CG-CG2 4.27Å
559	T	93.1	Very high	95.5	Very high	25 Å²	25	56.5 Å²	56.5	15%	0.153	28%	0.277	C	S	.	.			trans	-68.4	170.6	173.5	77.9	0	0	0	0	110.9	Y557 E561 G562 R563 D565	Y557-T559 HydrophobicContact CE2-CG2 4.13Å; T559-E561 WeakPolarHBondContact CB-OE2 3.28Å; T559-E561 PolarHBondContact O-N 2.8Å; T559-E561 PolarHBondContact OG1-N 2.87Å; T559-E561 PolarHBondContact OG1-OE2 2.77Å; T559-G562 PolarHBondContact O-N 3.03Å; T559-R563 HydrophobicContact CG2-CB 4.33Å; T559-R563 PolarHBondContact N-O 3.05Å; T559-R563 PolarHBondContact OG1-N 2.84Å; T559-D565 HydrophobicContact CG2-CB 4.16Å
560	T	91.2	Very high	95.5	Very high	139 Å²	139	62.5 Å²	62.5	85%	0.853	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.7	174.2	33.3	0	0	0	0	113.2	G562	T560-G562 VanDerWaalsContact C-N 3.3Å
561	E	92.4	Very high	95.6	Very high	123 Å²	123	63.2 Å²	63.2	58%	0.575	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	2.6	176.1	-48.7	73.2	-135.1	0	0	113	T559 R563	T559-E561 WeakPolarHBondContact CB-OE2 3.28Å; T559-E561 PolarHBondContact O-N 2.8Å; T559-E561 PolarHBondContact OG1-N 2.87Å; T559-E561 PolarHBondContact OG1-OE2 2.77Å; E561-R563 IonicContact OE2-NE 2.75Å; E561-R563 IonicContact OE2-NH2 3.74Å; E561-R563 PolarHBondContact OE2-NH2 2.91Å
562	G	90.2	Very high	95.6	Very high	36 Å²	36	61.8 Å²	61.8	37%	0.371	29%	0.293	S	S	.	.	S	Bend	trans	84.6	1.4	177.6	0	0	0	0	0	115.8	R558 T559 T560	R558-G562 PolarHBondContact NH1-O 3.07Å; T559-G562 PolarHBondContact O-N 3.03Å; T560-G562 VanDerWaalsContact C-N 3.3Å
563	R	92.8	Very high	95.1	Very high	169 Å²	169	63.7 Å²	63.7	64%	0.638	31%	0.308	S	S	*	.			trans	-69.9	144.7	175.5	-66.4	-176.9	-69.4	166.2	-0.4	110.8	R558 T559 E561	R558-R563 CarbonylContact C-O 3.46Å; R558-R563 WeakPolarHBondContact CA-O 3.45Å; T559-R563 HydrophobicContact CG2-CB 4.33Å; T559-R563 PolarHBondContact N-O 3.05Å; T559-R563 PolarHBondContact OG1-N 2.84Å; E561-R563 IonicContact OE2-NE 2.75Å; E561-R563 IonicContact OE2-NH2 3.74Å; E561-R563 PolarHBondContact OE2-NH2 2.91Å
564	T	95.5	Very high	94.9	Very high	27 Å²	27	67.5 Å²	67.5	17%	0.166	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.6	176.2	45.5	0	0	0	0	109.9	L459 E462 Y557 R558	L459-T564 HydrophobicContact CD1-CG2 3.81Å; E462-T564 HydrophobicContact CG-CG2 3.9Å; E462-T564 PolarHBondContact OE2-OG1 2.71Å; Y557-T564 WeakPolarHBondContact O-CA 3.44Å; R558-T564 HydrophobicContact CG-CG2 4.27Å
565	D	96.1	Very high	94.7	Very high	36 Å²	36	69.3 Å²	69.3	19%	0.193	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	170	-175.6	-161.6	13.1	0	0	0	112	S479 L480 Y557 T559	S479-D565 WeakPolarHBondContact CA-OD1 3.46Å; L480-D565 VanDerWaalsContact CD1-O 3.28Å; L480-D565 WeakPolarHBondContact CD1-O 3.13Å; Y557-D565 HydrophobicContact CD1-CB 4.13Å; Y557-D565 VanDerWaalsContact CD1-O 3.26Å; Y557-D565 WeakPolarHBondContact CD1-O 3.2Å; Y557-D565 HydrophobicContact CE1-CB 3.5Å; Y557-D565 HydrophobicContact CE2-CB 4.48Å; Y557-D565 PolarHBondContact N-O 3.27Å; Y557-D565 PolarHBondContact O-N 2.99Å; Y557-D565 PolarHBondContact OH-OD2 3.04Å; T559-D565 HydrophobicContact CG2-CB 4.16Å
566	A	96.3	Very high	94.6	Very high	4 Å²	4	75.8 Å²	75.8	3%	0.033	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138	-179.7	0	0	0	0	0	112	L464 L480 V554	L464-A566 HydrophobicContact CD2-CB 4.22Å; L480-A566 HydrophobicContact CG-CB 4.37Å; V554-A566 HydrophobicContact CG1-CB 4.42Å
567	Q	96.4	Very high	94.6	Very high	37 Å²	37	78.1 Å²	78.1	17%	0.173	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	163.5	176.5	64.1	169.6	102.2	0	0	112.1	T555 Y557 R569	T555-Q567 PolarHBondContact N-O 3.25Å; T555-Q567 PolarHBondContact O-N 2.97Å; Y557-Q567 HydrophobicContact CD1-CB 4.15Å; Y557-Q567 HydrophobicContact CD1-CG 3.54Å; Y557-Q567 HydrophobicContact CE1-CB 3.75Å; Y557-Q567 HydrophobicContact CE1-CG 3.61Å; Y557-Q567 HydrophobicContact CG-CG 4.29Å; Q567-R569 HydrophobicContact CG-CG 4.06Å
568	M	97.8	Very high	94.7	Very high	2 Å²	2	75.8 Å²	75.8	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	130.4	170.1	-56.1	-54	-66.6	0	0	110.6	V512 T517 I519 W537 H547 M552 V554	V512-M568 HydrophobicContact CG1-CG 4.11Å; V512-M568 HydrophobicContact CG2-CE 4.4Å; V512-M568 HydrophobicContact CG2-CG 3.89Å; V512-M568 HydrophobicContact CG2-SD 3.95Å; T517-M568 WeakPolarHBondContact O-CG 3.47Å; T517-M568 PolarHBondContact O-N 2.92Å; I519-M568 HydrophobicContact CD1-SD 3.77Å; I519-M568 HydrophobicContact CG1-CG 4.07Å; I519-M568 HydrophobicContact CG1-SD 3.7Å; W537-M568 HydrophobicContact CH2-CE 4.49Å; W537-M568 HydrophobicContact CH2-SD 4.15Å; W537-M568 HydrophobicContact CZ3-CE 4.02Å; W537-M568 HydrophobicContact CZ3-SD 4.07Å; H547-M568 HydrophobicContact CB-CE 3.48Å; H547-M568 VanDerWaalsContact CB-CE 3.48Å; M552-M568 HydrophobicContact CB-CB 3.99Å; M552-M568 HydrophobicContact CB-CE 3.73Å; M552-M568 HydrophobicContact CE-CB 3.68Å; M552-M568 HydrophobicContact CE-CG 4.46Å; M552-M568 WeakPolarHBondContact O-CE 3.5Å; M552-M568 HydrophobicContact SD-CB 3.82Å; V554-M568 HydrophobicContact CG2-CE 4.49Å; V554-M568 HydrophobicContact CG2-SD 3.91Å
569	R	97.1	Very high	94.8	Very high	104 Å²	104	71 Å²	71	39%	0.392	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	168.5	170.5	-62.1	-170.1	174.6	176.3	3.3	110.9	M552 C553 T555 Q567 C571	M552-R569 CarbonylContact C-O 3.5Å; M552-R569 WeakPolarHBondContact CA-O 3.41Å; M552-R569 WeakPolarHBondContact CB-O 3.31Å; C553-R569 PolarHBondContact N-O 3.14Å; C553-R569 PolarHBondContact O-N 3.38Å; T555-R569 WeakPolarHBondContact OG1-CB 3.39Å; Q567-R569 HydrophobicContact CG-CG 4.06Å; R569-C571 PolarHBondContact O-N 2.95Å
570	R	96.9	Very high	95	Very high	222 Å²	222	70 Å²	70	84%	0.838	35%	0.354	S	S	*	.			trans	-55.5	136.1	171.1	-70.2	-173.9	178.9	-175.3	-0.6	110.4	N572 Q578	R570-N572 PolarHBondContact O-N 3.04Å; R570-Q578 PolarHBondContact O-NE2 3.13Å
571	C	96.7	Very high	95.2	Very high	50 Å²	50	69.7 Å²	69.7	34%	0.338	34%	0.341	S	S	.	.			trans	-66.7	129.4	-177.2	-62.5	0	0	0	0	111.8	Y546 C553 R569	Y546-C571 VanDerWaalsContact CD2-SG 3.57Å; C553-C571 HydrophobicContact CB-CB 3.99Å; C553-C571 WeakPolarHBondContact CB-SG 3.5Å; C553-C571 PolarHBondContact N-SG 2.92Å; C553-C571 VanDerWaalsContact N-SG 3.36Å; C553-C571 WeakPolarHBondContact SG-CB 3.3Å; C553-C571 CovalentContact SG-SG 2.04Å; C553-C571 PolarHBondContact SG-SG 2.8Å; R569-C571 PolarHBondContact O-N 2.95Å
572	N	95.4	Very high	95.4	Very high	79 Å²	79	64.6 Å²	64.6	42%	0.422	32%	0.317	S	S	.	.			trans	-139.2	98.1	173.2	179.3	7.5	0	0	0	108.8	R570 A574 D575	R570-N572 PolarHBondContact O-N 3.04Å; N572-A574 PolarHBondContact O-N 3.28Å; N572-A574 PolarHBondContact OD1-N 3.19Å; N572-D575 HydrophobicContact CB-CB 4.13Å; N572-D575 WeakPolarHBondContact O-CB 3.43Å; N572-D575 PolarHBondContact O-N 3.38Å
573	P	87.6	Confident	95.3	Very high	78 Å²	78	65.9 Å²	65.9	51%	0.506	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.9	-177.8	-25.4	34.6	0	0	0	114.7	Q579	P573-Q579 PolarHBondContact O-NE2 2.89Å
574	A	92.3	Very high	94.3	Very high	81 Å²	81	69 Å²	69	67%	0.669	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.7	176.2	0	0	0	0	0	113.4	N572 R576	N572-A574 PolarHBondContact O-N 3.28Å; N572-A574 PolarHBondContact OD1-N 3.19Å; A574-R576 PolarHBondContact O-N 3.08Å
575	D	95.6	Very high	94.2	Very high	42 Å²	42	71.2 Å²	71.2	23%	0.225	33%	0.333	C	S	.	.			trans	-79.7	110.7	177.5	-172.9	-4.6	0	0	0	110.3	N572 N577 Q578	N572-D575 HydrophobicContact CB-CB 4.13Å; N572-D575 WeakPolarHBondContact O-CB 3.43Å; N572-D575 PolarHBondContact O-N 3.38Å; D575-N577 PolarHBondContact O-N 2.85Å; D575-N577 VanDerWaalsContact O-N 3.14Å; D575-N577 VanDerWaalsContact OD1-CB 3.31Å; D575-N577 WeakPolarHBondContact OD1-CB 3.44Å; D575-N577 PolarHBondContact OD1-N 3.45Å; D575-N577 PolarHBondContact OD1-ND2 2.91Å; D575-Q578 HydrophobicContact CB-CG 4.16Å; D575-Q578 WeakPolarHBondContact O-CB 3.47Å; D575-Q578 PolarHBondContact O-N 2.73Å
576	R	95.9	Very high	94.1	Very high	137 Å²	137	73 Å²	73	52%	0.517	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.7	178.4	-65	-169.8	66.5	-166.7	-4.6	113.3	S457 G458 A574 Q578 Q579	S457-R576 CarbonylContact C-O 3.59Å; S457-R576 PolarHBondContact O-NH2 2.86Å; S457-R576 VanDerWaalsContact O-NH2 3.13Å; G458-R576 PolarHBondContact N-O 2.85Å; A574-R576 PolarHBondContact O-N 3.08Å; R576-Q578 PolarHBondContact O-N 2.71Å; R576-Q579 PolarHBondContact O-N 2.99Å
577	N	96.9	Very high	94	Very high	50 Å²	50	76.8 Å²	76.8	27%	0.267	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-72.3	-14.4	174.8	-60.2	-57.6	0	0	0	113.1	G458 T555 A556 D575	G458-N577 WeakPolarHBondContact CA-OD1 3.4Å; T555-N577 HydrophobicContact CG2-CB 4.04Å; A556-N577 HydrophobicContact CB-CB 4.17Å; A556-N577 PolarHBondContact N-O 2.94Å; A556-N577 WeakPolarHBondContact O-CB 3.28Å; D575-N577 PolarHBondContact O-N 2.85Å; D575-N577 VanDerWaalsContact O-N 3.14Å; D575-N577 VanDerWaalsContact OD1-CB 3.31Å; D575-N577 WeakPolarHBondContact OD1-CB 3.44Å; D575-N577 PolarHBondContact OD1-N 3.45Å; D575-N577 PolarHBondContact OD1-ND2 2.91Å
578	Q	97.5	Very high	93.9	Very high	4 Å²	4	79.2 Å²	79.2	2%	0.019	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-95.7	-0.6	174.3	-61.8	-167.4	2.7	0	0	113.3	T544 V554 T555 R570 D575 R576 W580	T544-Q578 WeakPolarHBondContact CA-O 3.39Å; V554-Q578 WeakPolarHBondContact O-CA 3.14Å; T555-Q578 HydrophobicContact CG2-CG 3.8Å; T555-Q578 VanDerWaalsContact OG1-CG 3.31Å; T555-Q578 WeakPolarHBondContact OG1-CG 3.26Å; T555-Q578 PolarHBondContact OG1-NE2 3.43Å; T555-Q578 VanDerWaalsContact OG1-NE2 3.08Å; R570-Q578 PolarHBondContact O-NE2 3.13Å; D575-Q578 HydrophobicContact CB-CG 4.16Å; D575-Q578 WeakPolarHBondContact O-CB 3.47Å; D575-Q578 PolarHBondContact O-N 2.73Å; R576-Q578 PolarHBondContact O-N 2.71Å; Q578-W580 PolarHBondContact O-NE1 2.92Å
579	Q	97.2	Very high	93.6	Very high	46 Å²	46	84 Å²	84	22%	0.215	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-100.1	127	-179.9	-65.3	173.6	-8.7	0	0	110.1	S457 P573 R576	S457-Q579 WeakPolarHBondContact CB-O 3.48Å; S457-Q579 PolarHBondContact N-O 3.37Å; S457-Q579 PolarHBondContact OG-O 3.22Å; S457-Q579 VanDerWaalsContact OG-O 3.07Å; P573-Q579 PolarHBondContact O-NE2 2.89Å; R576-Q579 PolarHBondContact O-N 2.99Å
580	W	97.2	Very high	93.4	Very high	4 Å²	4	82.7 Å²	82.7	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.3	-174	-56.7	89.1	0	0	0	110.6	V454 R455 L464 L480 F539 G543 I545 V554 A556 Q578	V454-W580 HydrophobicContact CG1-CB 3.93Å; V454-W580 HydrophobicContact CG1-CE3 4.11Å; V454-W580 HydrophobicContact CG1-CG 4.49Å; R455-W580 WeakPolarHBondContact O-CA 3.31Å; L464-W580 HydrophobicContact CD2-CE3 4.25Å; L464-W580 HydrophobicContact CD2-CH2 3.79Å; L464-W580 HydrophobicContact CD2-CZ3 3.62Å; L464-W580 HydrophobicContact CG-CE3 4.18Å; L464-W580 HydrophobicContact CG-CZ3 3.93Å; L480-W580 HydrophobicContact CD1-CH2 4.43Å; L480-W580 HydrophobicContact CD2-CH2 3.84Å; L480-W580 HydrophobicContact CD2-CZ3 3.79Å; F539-W580 HydrophobicContact CZ-CB 3.89Å; G543-W580 WeakPolarHBondContact CA-O 3.11Å; G543-W580 PolarHBondContact O-N 3.36Å; I545-W580 HydrophobicContact CD1-CB 3.67Å; I545-W580 HydrophobicContact CD1-CD2 4.15Å; I545-W580 HydrophobicContact CD1-CG 3.5Å; I545-W580 HydrophobicContact CG1-CB 4Å; I545-W580 HydrophobicContact CG1-CG 3.93Å; V554-W580 HydrophobicContact CB-CZ2 4.46Å; V554-W580 HydrophobicContact CG1-CH2 4.46Å; V554-W580 HydrophobicContact CG1-CZ2 3.66Å; V554-W580 PolarHBondContact O-NE1 3Å; A556-W580 HydrophobicContact CB-CH2 3.78Å; A556-W580 HydrophobicContact CB-CZ2 3.99Å; Q578-W580 PolarHBondContact O-NE1 2.92Å
581	K	95.9	Very high	93.1	Very high	133 Å²	133	72.7 Å²	72.7	58%	0.578	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.4	179	-177.2	-179	173	-169	0	110.9	V454 R455	V454-K581 CarbonylContact C-O 3.59Å; V454-K581 WeakPolarHBondContact CA-O 3.5Å; R455-K581 PolarHBondContact N-O 2.81Å; R455-K581 PolarHBondContact O-N 3.17Å
582	F	95.4	Very high	92.9	Very high	15 Å²	15	74.5 Å²	74.5	7%	0.066	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.2	167.7	-83.5	-78.9	0	0	0	111.5	G449 W450 H451 A453 V454 F492 F539	G449-F582 WeakPolarHBondContact O-CB 3.4Å; W450-F582 AromaticContact CE3-CD2 3.9Å; W450-F582 HydrophobicContact CE3-CD2 3.9Å; W450-F582 AromaticContact CE3-CE2 3.82Å; W450-F582 HydrophobicContact CE3-CE2 3.82Å; W450-F582 HydrophobicContact CZ3-CD2 4.39Å; W450-F582 HydrophobicContact CZ3-CE2 4.32Å; H451-F582 VanDerWaalsContact C-CD1 3.47Å; A453-F582 CarbonylContact O-C 3.57Å; A453-F582 WeakPolarHBondContact O-CA 3.35Å; V454-F582 HydrophobicContact CG2-CD1 3.76Å; V454-F582 HydrophobicContact CG2-CE1 3.37Å; V454-F582 HydrophobicContact CG2-CE2 4.32Å; V454-F582 HydrophobicContact CG2-CG 4.4Å; V454-F582 HydrophobicContact CG2-CZ 3.68Å; F492-F582 HydrophobicContact CB-CE1 4.22Å; F539-F582 AromaticContact CD2-CE2 3.91Å; F539-F582 HydrophobicContact CD2-CE2 3.91Å; F539-F582 AromaticContact CE2-CD2 3.9Å; F539-F582 HydrophobicContact CE2-CD2 3.9Å; F539-F582 AromaticContact CE2-CE2 3.53Å; F539-F582 HydrophobicContact CE2-CE2 3.53Å; F539-F582 HydrophobicContact CE2-CZ 4.48Å; F539-F582 HydrophobicContact CZ-CD2 4.25Å; F539-F582 HydrophobicContact CZ-CE2 4.33Å
583	E	89.7	Confident	92.6	Very high	63 Å²	63	74.1 Å²	74.1	29%	0.294	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.2	173	-66.5	-170.6	166.6	0	0	110.3	G452 A453 R455	G452-E583 WeakPolarHBondContact CA-O 3.19Å; A453-E583 PolarHBondContact N-O 2.91Å; A453-E583 PolarHBondContact O-N 3.46Å; R455-E583 HydrophobicContact CB-CG 4.4Å; R455-E583 VanDerWaalsContact CD-OE1 3.28Å; R455-E583 WeakPolarHBondContact CD-OE1 3.39Å; R455-E583 IonicContact CZ-OE1 2.87Å; R455-E583 IonicContact CZ-OE2 2.74Å; R455-E583 IonicContact NE-OE1 3.43Å; R455-E583 PolarHBondContact NE-OE1 2.72Å; R455-E583 IonicContact NE-OE2 3.72Å; R455-E583 PolarHBondContact NE-OE2 3.3Å; R455-E583 IonicContact NH2-OE1 3.95Å; R455-E583 IonicContact NH2-OE2 3.56Å; R455-E583 PolarHBondContact NH2-OE2 3.2Å
584	W	70.4	Confident	93.1	Very high	236 Å²	236	73.7 Å²	73.7	89%	0.894	34%	0.342	S	S	*	.			trans	-108	0	-175.2	67.1	65	0	0	0	112.9

Retrieved 584 of 584 residues in 706.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).