A0A087XY92_POEFO Loading...

Phosphoglucomutase 2-like 1

AlphaFold DB , UniProt , Accession A0A087XY92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 624 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	30.8	Very low	219 Å²	219	124.2 Å²	124.2	100%	1.079	80%	0.8	S	S	*	*				0	72.7	0	-53.3	-179.8	-159.4	0	0	105.4
2	E	32.3	Very low	31.2	Very low	162 Å²	162	125.8 Å²	125.8	76%	0.757	80%	0.798	S	S	*	*				81	111.8	79.7	-72.4	158.2	142.6	0	0	108
3	D	31.4	Very low	31.5	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	81%	0.807	S	S	*	*				68	142.7	82.3	-72.6	-22	0	0	0	111.7
4	T	31.2	Very low	32.2	Very low	122 Å²	122	131.9 Å²	131.9	75%	0.748	81%	0.811	S	S	*	*			cis	-149.4	-177.2	-15	40.1	0	0	0	0	105.7
5	V	32.3	Very low	32.6	Very low	122 Å²	122	127.7 Å²	127.7	74%	0.739	80%	0.795	S	S	*	*			cis	-143.6	146.5	14.3	-174.8	0	0	0	0	108.4
6	G	28	Very low	33.3	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	80%	0.796	S	S	*	*			trans	-107.6	117	161.1	0	0	0	0	0	110.4	G8	G6-G8 VanDerWaalsContact C-N 3.35Å; G6-G8 PolarHBondContact O-N 3.45Å
7	T	30.2	Very low	34.2	Very low	140 Å²	140	129.9 Å²	129.9	86%	0.859	79%	0.793	S	S	*	*			trans	-76.2	84.1	178.8	51.4	0	0	0	0	110.9	G9	T7-G9 PolarHBondContact O-N 3.13Å
8	G	27.7	Very low	35.5	Very low	71 Å²	71	127 Å²	127	73%	0.732	79%	0.793	S	S	*	*			trans	-69.3	113.7	166.5	0	0	0	0	0	110.2	G6 N10	G6-G8 VanDerWaalsContact C-N 3.35Å; G6-G8 PolarHBondContact O-N 3.45Å; G8-N10 PolarHBondContact O-N 2.99Å
9	G	27.7	Very low	37.3	Very low	76 Å²	76	123.1 Å²	123.1	78%	0.784	76%	0.762	S	S	*	*			trans	-69	125.5	170.6	0	0	0	0	0	110.3	T7 G11	T7-G9 PolarHBondContact O-N 3.13Å; G9-G11 PolarHBondContact O-N 3.12Å
10	N	32.2	Very low	39.1	Very low	171 Å²	171	127.9 Å²	127.9	91%	0.914	77%	0.765	S	S	*	*			trans	-63.1	105.7	163.2	-90.4	-11.8	0	0	0	107.9	G8	G8-N10 PolarHBondContact O-N 2.99Å
11	G	29.4	Very low	41.1	Very low	64 Å²	64	131.4 Å²	131.4	66%	0.66	77%	0.765	S	S	*	*			trans	-70.7	128.8	170.4	0	0	0	0	0	110.3	G9 L13	G9-G11 PolarHBondContact O-N 3.12Å; G11-L13 PolarHBondContact O-N 3.19Å
12	D	35.6	Very low	43.4	Very low	144 Å²	144	122.1 Å²	122.1	77%	0.77	72%	0.72	S	S	*	*			trans	-57	107.8	170.3	-87.4	-50.8	0	0	0	110.7	N14	D12-N14 PolarHBondContact O-N 2.97Å
13	L	35.6	Very low	45.8	Very low	175 Å²	175	117.8 Å²	117.8	92%	0.916	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	3.9	177.8	-87.5	162.1	0	0	0	114.1	G11	G11-L13 PolarHBondContact O-N 3.19Å
14	N	40.7	Very low	48.6	Very low	161 Å²	161	112.6 Å²	112.6	86%	0.861	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	3.6	-179.9	-75.1	-20.9	0	0	0	114.3	D12 N16	D12-N14 PolarHBondContact O-N 2.97Å; N14-N16 PolarHBondContact O-N 3.48Å
15	A	39.5	Very low	51.6	Low	70 Å²	70	112 Å²	112	58%	0.579	69%	0.689	S	S	*	*	S	Bend	trans	-81.9	112.5	178.2	0	0	0	0	0	112.4
16	N	43	Very low	54.5	Low	150 Å²	150	112.9 Å²	112.9	80%	0.802	68%	0.683	S	S	*	*			trans	84.3	69	169.4	-47.5	-68	0	0	0	118.4	N14 G18	N14-N16 PolarHBondContact O-N 3.48Å; N16-G18 PolarHBondContact O-N 2.94Å; N16-G18 VanDerWaalsContact O-N 3.1Å
17	L	49.5	Very low	57.7	Low	143 Å²	143	109.4 Å²	109.4	75%	0.749	65%	0.648	S	S	*	*			trans	-72.9	86.5	138.7	-87.7	162.8	0	0	0	108.3	W19	L17-W19 VanDerWaalsContact C-N 3.33Å; L17-W19 PolarHBondContact O-N 3.07Å
18	G	57.8	Low	60.7	Low	77 Å²	77	103.9 Å²	103.9	79%	0.794	61%	0.613	S	S	*	*			trans	-70.6	77.2	-172	0	0	0	0	0	114	N16	N16-G18 PolarHBondContact O-N 2.94Å; N16-G18 VanDerWaalsContact O-N 3.1Å
19	W	68.1	Low	63.9	Low	53 Å²	53	106.9 Å²	106.9	20%	0.201	61%	0.606	C	S	.	*			trans	-81	152	171	70.4	-92.8	0	0	0	111.2	L17 R21 T22 D28 V31 L35 V51	L17-W19 VanDerWaalsContact C-N 3.33Å; L17-W19 PolarHBondContact O-N 3.07Å; W19-R21 PolarHBondContact O-N 3.43Å; W19-T22 HydrophobicContact CH2-CG2 4.27Å; W19-T22 HydrophobicContact CZ3-CG2 3.95Å; W19-D28 HydrophobicContact CH2-CB 4.22Å; W19-D28 WeakPolarHBondContact CH2-OD1 3.33Å; W19-V31 HydrophobicContact CD2-CG1 4.02Å; W19-V31 HydrophobicContact CE3-CG1 4.14Å; W19-V31 HydrophobicContact CH2-CB 3.61Å; W19-V31 HydrophobicContact CH2-CG1 3.55Å; W19-V31 HydrophobicContact CH2-CG2 4.18Å; W19-V31 HydrophobicContact CZ2-CB 3.63Å; W19-V31 HydrophobicContact CZ2-CG1 3.42Å; W19-V31 VanDerWaalsContact CZ2-CG1 3.42Å; W19-V31 HydrophobicContact CZ3-CB 4.35Å; W19-V31 HydrophobicContact CZ3-CG1 3.92Å; W19-L35 HydrophobicContact CG-CD1 4.24Å; W19-V51 HydrophobicContact CB-CG1 4.22Å; W19-V51 HydrophobicContact CD2-CG1 4.21Å; W19-V51 HydrophobicContact CE3-CG1 3.41Å; W19-V51 VanDerWaalsContact CE3-CG1 3.41Å; W19-V51 HydrophobicContact CE3-CG2 4.28Å; W19-V51 HydrophobicContact CZ3-CG1 4.06Å; W19-V51 HydrophobicContact CZ3-CG2 4.38Å
20	R	73.2	Confident	67.2	Low	218 Å²	218	103.7 Å²	103.7	82%	0.823	57%	0.572	S	S	*	*			trans	-75.2	107.7	-172.7	-174	-177.9	-174.7	-176.6	2.5	111.2	T22	R20-T22 PolarHBondContact O-N 3.01Å
21	R	82.3	Confident	70.3	Confident	203 Å²	203	95.6 Å²	95.6	77%	0.766	53%	0.528	S	S	*	.			trans	-45	137.7	174.7	-70	-170.5	-175.3	-178.3	0.8	112.3	W19 G23 D28	W19-R21 PolarHBondContact O-N 3.43Å; R21-G23 VanDerWaalsContact C-N 3.32Å; R21-D28 WeakPolarHBondContact CB-OD2 3.31Å
22	T	82.9	Confident	73.4	Confident	24 Å²	24	96 Å²	96	15%	0.147	51%	0.513	C	S	.	.			trans	-75.8	-19.9	-179.7	67.1	0	0	0	0	113.4	W19 R20 D24 L27 D28 L56 L59	W19-T22 HydrophobicContact CH2-CG2 4.27Å; W19-T22 HydrophobicContact CZ3-CG2 3.95Å; R20-T22 PolarHBondContact O-N 3.01Å; T22-D24 VanDerWaalsContact C-N 3.33Å; T22-D24 PolarHBondContact OG1-N 3.39Å; T22-D24 PolarHBondContact OG1-O 2.85Å; T22-L27 HydrophobicContact CG2-CD2 3.81Å; T22-L27 HydrophobicContact CG2-CG 4.06Å; T22-D28 WeakPolarHBondContact CA-OD1 3.44Å; T22-D28 VanDerWaalsContact CB-OD1 3.28Å; T22-D28 WeakPolarHBondContact CB-OD1 3.39Å; T22-D28 WeakPolarHBondContact CG2-OD1 3.49Å; T22-D28 PolarHBondContact N-OD1 2.81Å; T22-D28 PolarHBondContact OG1-OD1 2.71Å; T22-L56 HydrophobicContact CG2-CD2 3.67Å; T22-L59 HydrophobicContact CG2-CD1 4.49Å
23	G	84.2	Confident	76.3	Confident	70 Å²	70	91.8 Å²	91.8	72%	0.722	49%	0.489	S	S	*	.	S	Bend	trans	88.1	-1.6	-172.9	0	0	0	0	0	113.9	R21	R21-G23 VanDerWaalsContact C-N 3.32Å
24	D	90.5	Very high	79.3	Confident	39 Å²	39	83.5 Å²	83.5	21%	0.209	45%	0.445	C	S	.	.			trans	-112	114.1	173	-178.5	-50.5	0	0	0	109.9	T22 K26 L27 D28 R60	T22-D24 VanDerWaalsContact C-N 3.33Å; T22-D24 PolarHBondContact OG1-N 3.39Å; T22-D24 PolarHBondContact OG1-O 2.85Å; D24-K26 VanDerWaalsContact C-N 3.27Å; D24-K26 PolarHBondContact O-N 3.22Å; D24-K26 WeakPolarHBondContact OD1-CA 3.31Å; D24-K26 WeakPolarHBondContact OD1-CB 3.42Å; D24-K26 PolarHBondContact OD1-N 2.92Å; D24-L27 HydrophobicContact CB-CB 3.89Å; D24-L27 PolarHBondContact O-N 2.79Å; D24-L27 PolarHBondContact OD1-N 3.38Å; D24-D28 WeakPolarHBondContact O-CB 3.47Å; D24-D28 VanDerWaalsContact O-CG 3.31Å; D24-D28 PolarHBondContact O-N 3.16Å; D24-R60 IonicContact OD2-CZ 3.3Å; D24-R60 VanDerWaalsContact OD2-CZ 3.26Å; D24-R60 IonicContact OD2-NH1 3.2Å; D24-R60 PolarHBondContact OD2-NH1 3.16Å; D24-R60 IonicContact OD2-NH2 3.08Å; D24-R60 PolarHBondContact OD2-NH2 3.28Å
25	P	92.3	Very high	81.9	Confident	108 Å²	108	76.6 Å²	76.6	70%	0.701	41%	0.408	S	S	*	.	H	α-helix	trans	-61.2	-28.4	-176.6	-26.4	35.3	0	0	0	115.2	K29	P25-K29 WeakPolarHBondContact O-CB 3.42Å; P25-K29 PolarHBondContact O-N 3.26Å; P25-K29 VanDerWaalsContact O-N 3.16Å
26	K	93.9	Very high	84.5	Confident	141 Å²	141	78 Å²	78	61%	0.613	41%	0.406	S	S	*	.	H	α-helix	trans	-74.9	-43.9	177.7	-179	-175.9	174.7	-175.9	0	110	D24 A30	D24-K26 VanDerWaalsContact C-N 3.27Å; D24-K26 PolarHBondContact O-N 3.22Å; D24-K26 WeakPolarHBondContact OD1-CA 3.31Å; D24-K26 WeakPolarHBondContact OD1-CB 3.42Å; D24-K26 PolarHBondContact OD1-N 2.92Å; K26-A30 PolarHBondContact O-N 3.31Å; K26-A30 VanDerWaalsContact O-N 3.11Å
27	L	95.1	Very high	87.1	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-66.7	-41.5	176.5	-170.4	59	0	0	0	111.2	T22 D24 K29 A30 V31 L56 L59 R60	T22-L27 HydrophobicContact CG2-CD2 3.81Å; T22-L27 HydrophobicContact CG2-CG 4.06Å; D24-L27 HydrophobicContact CB-CB 3.89Å; D24-L27 PolarHBondContact O-N 2.79Å; D24-L27 PolarHBondContact OD1-N 3.38Å; L27-K29 VanDerWaalsContact C-N 3.35Å; L27-K29 PolarHBondContact O-N 3.06Å; L27-A30 PolarHBondContact O-N 3.06Å; L27-A30 VanDerWaalsContact O-N 3.11Å; L27-V31 HydrophobicContact CG-CG2 4.49Å; L27-V31 WeakPolarHBondContact O-CG2 3.4Å; L27-V31 PolarHBondContact O-N 3.08Å; L27-L56 HydrophobicContact CD2-CB 4.43Å; L27-L56 HydrophobicContact CD2-CD2 4.38Å; L27-L59 HydrophobicContact CD1-CB 3.95Å; L27-L59 HydrophobicContact CD2-CB 4.32Å; L27-R60 HydrophobicContact CD1-CG 4.04Å; L27-R60 HydrophobicContact CD2-CG 3.9Å
28	D	94.5	Very high	89.4	Confident	24 Å²	24	65.6 Å²	65.6	13%	0.128	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-44.1	177.8	-75.4	-10.9	0	0	0	111.9	W19 R21 T22 D24 A30 Q32	W19-D28 HydrophobicContact CH2-CB 4.22Å; W19-D28 WeakPolarHBondContact CH2-OD1 3.33Å; R21-D28 WeakPolarHBondContact CB-OD2 3.31Å; T22-D28 WeakPolarHBondContact CA-OD1 3.44Å; T22-D28 VanDerWaalsContact CB-OD1 3.28Å; T22-D28 WeakPolarHBondContact CB-OD1 3.39Å; T22-D28 WeakPolarHBondContact CG2-OD1 3.49Å; T22-D28 PolarHBondContact N-OD1 2.81Å; T22-D28 PolarHBondContact OG1-OD1 2.71Å; D24-D28 WeakPolarHBondContact O-CB 3.47Å; D24-D28 VanDerWaalsContact O-CG 3.31Å; D24-D28 PolarHBondContact O-N 3.16Å; D28-A30 PolarHBondContact O-N 3.18Å; D28-Q32 WeakPolarHBondContact O-CB 3.39Å; D28-Q32 PolarHBondContact O-N 3.37Å
29	K	95	Very high	91.2	Very high	134 Å²	134	69.2 Å²	69.2	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-61.1	-44.2	172.9	-175.1	178.8	177.2	179.4	0	111.9	P25 L27 Q32 Q33	P25-K29 WeakPolarHBondContact O-CB 3.42Å; P25-K29 PolarHBondContact O-N 3.26Å; P25-K29 VanDerWaalsContact O-N 3.16Å; L27-K29 VanDerWaalsContact C-N 3.35Å; L27-K29 PolarHBondContact O-N 3.06Å; K29-Q32 PolarHBondContact O-N 2.87Å; K29-Q33 HydrophobicContact CG-CG 4.38Å; K29-Q33 WeakPolarHBondContact O-CB 3.46Å; K29-Q33 VanDerWaalsContact O-CG 3.3Å; K29-Q33 WeakPolarHBondContact O-CG 3.36Å; K29-Q33 PolarHBondContact O-N 2.91Å
30	A	95.9	Very high	92.5	Very high	9 Å²	9	67.1 Å²	67.1	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-68.7	-36.9	-177.1	0	0	0	0	0	113	K26 L27 D28 W34 L63	K26-A30 PolarHBondContact O-N 3.31Å; K26-A30 VanDerWaalsContact O-N 3.11Å; L27-A30 PolarHBondContact O-N 3.06Å; L27-A30 VanDerWaalsContact O-N 3.11Å; D28-A30 PolarHBondContact O-N 3.18Å; A30-W34 WeakPolarHBondContact O-CB 3.41Å; A30-W34 PolarHBondContact O-N 2.68Å; A30-L63 HydrophobicContact CB-CB 4Å
31	V	96.9	Very high	93.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-46	172	172.4	0	0	0	0	110.4	W19 L27 W34 L35 V47 V51 L59 L63	W19-V31 HydrophobicContact CD2-CG1 4.02Å; W19-V31 HydrophobicContact CE3-CG1 4.14Å; W19-V31 HydrophobicContact CH2-CB 3.61Å; W19-V31 HydrophobicContact CH2-CG1 3.55Å; W19-V31 HydrophobicContact CH2-CG2 4.18Å; W19-V31 HydrophobicContact CZ2-CB 3.63Å; W19-V31 HydrophobicContact CZ2-CG1 3.42Å; W19-V31 VanDerWaalsContact CZ2-CG1 3.42Å; W19-V31 HydrophobicContact CZ3-CB 4.35Å; W19-V31 HydrophobicContact CZ3-CG1 3.92Å; L27-V31 HydrophobicContact CG-CG2 4.49Å; L27-V31 WeakPolarHBondContact O-CG2 3.4Å; L27-V31 PolarHBondContact O-N 3.08Å; V31-W34 WeakPolarHBondContact O-CB 3.22Å; V31-W34 PolarHBondContact O-N 2.88Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.37Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.45Å; V31-V47 HydrophobicContact CG1-CG1 4.29Å; V31-V51 HydrophobicContact CG1-CG2 3.73Å; V31-V51 HydrophobicContact CG2-CG2 4.31Å; V31-L59 HydrophobicContact CG2-CD2 4.39Å; V31-L63 HydrophobicContact CB-CD1 4.45Å; V31-L63 HydrophobicContact CG2-CD1 3.64Å
32	Q	95.7	Very high	94.4	Very high	73 Å²	73	59.8 Å²	59.8	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-49.7	178	-171	60.3	49.6	0	0	111.2	D28 K29 W34 L35 D36	D28-Q32 WeakPolarHBondContact O-CB 3.39Å; D28-Q32 PolarHBondContact O-N 3.37Å; K29-Q32 PolarHBondContact O-N 2.87Å; Q32-W34 VanDerWaalsContact C-N 3.28Å; Q32-W34 PolarHBondContact O-N 3.46Å; Q32-L35 CarbonylContact O-C 3.39Å; Q32-L35 PolarHBondContact O-N 3.16Å; Q32-D36 WeakPolarHBondContact CG-OD2 3.29Å; Q32-D36 PolarHBondContact NE2-OD1 3.42Å; Q32-D36 PolarHBondContact O-N 3.2Å
33	Q	96.3	Very high	95	Very high	56 Å²	56	58.7 Å²	58.7	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-37.2	176.5	-72.4	-178.3	-65.2	0	0	112.9	K29 D36 W37 F82	K29-Q33 HydrophobicContact CG-CG 4.38Å; K29-Q33 WeakPolarHBondContact O-CB 3.46Å; K29-Q33 VanDerWaalsContact O-CG 3.3Å; K29-Q33 WeakPolarHBondContact O-CG 3.36Å; K29-Q33 PolarHBondContact O-N 2.91Å; Q33-D36 PolarHBondContact O-N 2.84Å; Q33-W37 HydrophobicContact CB-CD2 4.46Å; Q33-W37 HydrophobicContact CB-CE3 4.05Å; Q33-W37 HydrophobicContact CB-CH2 4.18Å; Q33-W37 HydrophobicContact CB-CZ3 3.9Å; Q33-W37 HydrophobicContact CG-CH2 4.17Å; Q33-W37 HydrophobicContact CG-CZ2 4.4Å; Q33-W37 HydrophobicContact CG-CZ3 4.4Å; Q33-W37 VanDerWaalsContact NE2-CH2 3.26Å; Q33-W37 WeakPolarHBondContact O-CB 3.39Å; Q33-W37 VanDerWaalsContact O-CG 3.31Å; Q33-W37 PolarHBondContact O-N 2.89Å; Q33-W37 VanDerWaalsContact O-N 3.08Å; Q33-F82 HydrophobicContact CB-CZ 4.39Å
34	W	97.3	Very high	95.7	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-46.9	172.7	-176.2	-83.6	0	0	0	111.6	A30 V31 Q32 D36 W37 D38 V47 L63 A80 G81 F82 L88	A30-W34 WeakPolarHBondContact O-CB 3.41Å; A30-W34 PolarHBondContact O-N 2.68Å; V31-W34 WeakPolarHBondContact O-CB 3.22Å; V31-W34 PolarHBondContact O-N 2.88Å; Q32-W34 VanDerWaalsContact C-N 3.28Å; Q32-W34 PolarHBondContact O-N 3.46Å; W34-D36 VanDerWaalsContact C-N 3.28Å; W34-D36 PolarHBondContact O-N 2.89Å; W34-W37 PolarHBondContact O-N 3.05Å; W34-D38 HydrophobicContact CD2-CB 4.28Å; W34-D38 HydrophobicContact CG-CB 4.5Å; W34-D38 HydrophobicContact CZ2-CB 3.93Å; W34-D38 WeakPolarHBondContact CZ2-OD2 3.43Å; W34-D38 PolarHBondContact NE1-OD2 3.38Å; W34-D38 VanDerWaalsContact O-CB 3.27Å; W34-D38 WeakPolarHBondContact O-CB 3.44Å; W34-D38 PolarHBondContact O-N 3.26Å; W34-V47 HydrophobicContact CD2-CG2 4.33Å; W34-V47 HydrophobicContact CG-CG1 4.48Å; W34-V47 HydrophobicContact CG-CG2 4.11Å; W34-L63 HydrophobicContact CB-CD2 3.9Å; W34-L63 HydrophobicContact CD2-CD2 3.83Å; W34-L63 HydrophobicContact CE3-CD2 3.63Å; W34-L63 HydrophobicContact CG-CD2 3.94Å; W34-A80 HydrophobicContact CZ2-CB 3.86Å; W34-G81 WeakPolarHBondContact CZ3-O 3.48Å; W34-F82 HydrophobicContact CB-CZ 4.2Å; W34-F82 AromaticContact CE3-CD1 3.8Å; W34-F82 HydrophobicContact CE3-CD1 3.8Å; W34-F82 HydrophobicContact CE3-CD2 4.47Å; W34-F82 AromaticContact CE3-CE1 3.6Å; W34-F82 HydrophobicContact CE3-CE1 3.6Å; W34-F82 HydrophobicContact CE3-CE2 4.29Å; W34-F82 HydrophobicContact CE3-CG 4.24Å; W34-F82 AromaticContact CE3-CZ 3.86Å; W34-F82 HydrophobicContact CE3-CZ 3.86Å; W34-F82 AromaticContact CZ3-CD1 3.84Å; W34-F82 HydrophobicContact CZ3-CD1 3.84Å; W34-F82 AromaticContact CZ3-CE1 3.99Å; W34-F82 HydrophobicContact CZ3-CE1 3.99Å; W34-F82 HydrophobicContact CZ3-CG 4.41Å; W34-L88 HydrophobicContact CE3-CD2 4.12Å; W34-L88 HydrophobicContact CH2-CD2 4.35Å; W34-L88 HydrophobicContact CZ3-CD2 3.96Å
35	L	95.6	Very high	95.9	Very high	16 Å²	16	58.4 Å²	58.4	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-16.4	-179.8	-64.8	177.7	0	0	0	113.8	W19 V31 Q32 R44 V47 E48	W19-L35 HydrophobicContact CG-CD1 4.24Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.37Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.45Å; Q32-L35 CarbonylContact O-C 3.39Å; Q32-L35 PolarHBondContact O-N 3.16Å; L35-R44 HydrophobicContact CD2-CG 3.97Å; L35-R44 VanDerWaalsContact O-CZ 3.23Å; L35-R44 PolarHBondContact O-NH1 2.74Å; L35-R44 PolarHBondContact O-NH2 2.84Å; L35-V47 HydrophobicContact CD2-CG1 4.38Å; L35-E48 HydrophobicContact CD2-CG 3.67Å
36	D	95.2	Very high	96.2	Very high	99 Å²	99	55.2 Å²	55.2	53%	0.529	25%	0.251	S	S	.	.	H	α-helix	trans	-85.4	-37.9	172.4	-63.1	-26.1	0	0	0	111.5	Q32 Q33 W34	Q32-D36 WeakPolarHBondContact CG-OD2 3.29Å; Q32-D36 PolarHBondContact NE2-OD1 3.42Å; Q32-D36 PolarHBondContact O-N 3.2Å; Q33-D36 PolarHBondContact O-N 2.84Å; W34-D36 VanDerWaalsContact C-N 3.28Å; W34-D36 PolarHBondContact O-N 2.89Å
37	W	97	Very high	96.3	Very high	32 Å²	32	48.6 Å²	48.6	12%	0.121	22%	0.222	C	C	.	.	H	α-helix	trans	-96.5	-34.8	-172.9	-61.1	-27.5	0	0	0	114.9	Q33 W34 R39 F82 L88 L212 E213 P214 W220	Q33-W37 HydrophobicContact CB-CD2 4.46Å; Q33-W37 HydrophobicContact CB-CE3 4.05Å; Q33-W37 HydrophobicContact CB-CH2 4.18Å; Q33-W37 HydrophobicContact CB-CZ3 3.9Å; Q33-W37 HydrophobicContact CG-CH2 4.17Å; Q33-W37 HydrophobicContact CG-CZ2 4.4Å; Q33-W37 HydrophobicContact CG-CZ3 4.4Å; Q33-W37 VanDerWaalsContact NE2-CH2 3.26Å; Q33-W37 WeakPolarHBondContact O-CB 3.39Å; Q33-W37 VanDerWaalsContact O-CG 3.31Å; Q33-W37 PolarHBondContact O-N 2.89Å; Q33-W37 VanDerWaalsContact O-N 3.08Å; W34-W37 PolarHBondContact O-N 3.05Å; W37-R39 PolarHBondContact O-N 2.96Å; W37-F82 HydrophobicContact CE3-CE1 4.05Å; W37-F82 AromaticContact CE3-CZ 3.98Å; W37-F82 HydrophobicContact CE3-CZ 3.98Å; W37-F82 HydrophobicContact CZ3-CE1 4.29Å; W37-F82 HydrophobicContact CZ3-CZ 4.08Å; W37-L88 HydrophobicContact CB-CD1 3.89Å; W37-L88 HydrophobicContact CB-CD2 3.86Å; W37-L212 HydrophobicContact CH2-CB 3.86Å; W37-L212 HydrophobicContact CZ3-CB 4.1Å; W37-E213 HydrophobicContact CZ2-CB 4.35Å; W37-P214 HydrophobicContact CB-CG 4.41Å; W37-W220 WeakPolarHBondContact O-CZ2 3.44Å
38	D	97.3	Very high	96.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	24%	0.241	C	C	.	.			trans	-78.4	120.7	-176	-172.9	23.8	0	0	0	112.5	W34 N40 T43 R44 L88	W34-D38 HydrophobicContact CD2-CB 4.28Å; W34-D38 HydrophobicContact CG-CB 4.5Å; W34-D38 HydrophobicContact CZ2-CB 3.93Å; W34-D38 WeakPolarHBondContact CZ2-OD2 3.43Å; W34-D38 PolarHBondContact NE1-OD2 3.38Å; W34-D38 VanDerWaalsContact O-CB 3.27Å; W34-D38 WeakPolarHBondContact O-CB 3.44Å; W34-D38 PolarHBondContact O-N 3.26Å; D38-N40 PolarHBondContact OD1-N 3.41Å; D38-T43 PolarHBondContact OD1-OG1 3.21Å; D38-T43 WeakPolarHBondContact OD2-CB 3.49Å; D38-T43 PolarHBondContact OD2-OG1 3.37Å; D38-R44 PolarHBondContact O-NH1 3.07Å; D38-R44 PolarHBondContact OD2-N 3.01Å; D38-R44 VanDerWaalsContact OD2-N 3.1Å; D38-L88 HydrophobicContact CB-CD2 4.06Å
39	R	96.1	Very high	96.4	Very high	153 Å²	153	55 Å²	55	58%	0.577	26%	0.26	S	S	*	.			trans	-104.6	-7.8	176.7	-55.3	-173.9	179.1	-167.8	-1.9	113.4	W37 K41 W220	W37-R39 PolarHBondContact O-N 2.96Å; R39-K41 PolarHBondContact O-N 2.87Å; R39-W220 HydrophobicContact CB-CD2 3.96Å; R39-W220 HydrophobicContact CB-CE3 3.79Å; R39-W220 HydrophobicContact CB-CH2 4.02Å; R39-W220 HydrophobicContact CB-CZ2 4.2Å; R39-W220 HydrophobicContact CB-CZ3 3.8Å; R39-W220 HydrophobicContact CG-CD2 4.11Å; R39-W220 HydrophobicContact CG-CE3 4.42Å; R39-W220 HydrophobicContact CG-CH2 4.34Å; R39-W220 HydrophobicContact CG-CZ2 4.03Å; R39-W220 VanDerWaalsContact N-CH2 3.34Å
40	N	96.3	Very high	96.4	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.048	24%	0.237	C	C	.	.			trans	-74.6	112	173.9	174.4	-16.5	0	0	0	109	D38 W42 T43 R44 D87 S125	D38-N40 PolarHBondContact OD1-N 3.41Å; N40-W42 PolarHBondContact O-N 3.01Å; N40-W42 VanDerWaalsContact O-N 3.12Å; N40-W42 WeakPolarHBondContact OD1-CB 3.24Å; N40-W42 PolarHBondContact OD1-N 3.48Å; N40-T43 WeakPolarHBondContact CB-OG1 3.4Å; N40-T43 PolarHBondContact O-N 2.99Å; N40-T43 PolarHBondContact O-OG1 3.08Å; N40-R44 VanDerWaalsContact O-CB 3.23Å; N40-R44 WeakPolarHBondContact O-CB 3.39Å; N40-R44 PolarHBondContact O-N 3.31Å; N40-D87 HydrophobicContact CB-CB 4.24Å; N40-D87 PolarHBondContact ND2-OD1 3.37Å; N40-S125 PolarHBondContact ND2-O 2.88Å
41	K	96.5	Very high	96.3	Very high	150 Å²	150	49.8 Å²	49.8	65%	0.652	24%	0.237	S	C	*	.	H	α-helix	trans	-54.9	-31.3	-177	67.3	-179.3	-177.1	178.2	0	114	R39 A45	R39-K41 PolarHBondContact O-N 2.87Å; K41-A45 VanDerWaalsContact O-CB 3.24Å; K41-A45 WeakPolarHBondContact O-CB 3.22Å; K41-A45 PolarHBondContact O-N 3Å; K41-A45 VanDerWaalsContact O-N 3.1Å
42	W	97	Very high	96.1	Very high	118 Å²	118	54 Å²	54	45%	0.447	27%	0.272	S	S	.	.	H	α-helix	trans	-76.4	-52.6	-177	-60.4	102.3	0	0	0	110.8	N40 R44 A45 Q46	N40-W42 PolarHBondContact O-N 3.01Å; N40-W42 VanDerWaalsContact O-N 3.12Å; N40-W42 WeakPolarHBondContact OD1-CB 3.24Å; N40-W42 PolarHBondContact OD1-N 3.48Å; W42-R44 VanDerWaalsContact C-N 3.31Å; W42-R44 PolarHBondContact O-N 3.33Å; W42-A45 PolarHBondContact O-N 3.41Å; W42-Q46 WeakPolarHBondContact O-CG 3.45Å; W42-Q46 PolarHBondContact O-N 2.92Å
43	T	97.4	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-33.4	178.4	50.3	0	0	0	0	112.1	D38 N40 Q46 V47 A80 N86	D38-T43 PolarHBondContact OD1-OG1 3.21Å; D38-T43 WeakPolarHBondContact OD2-CB 3.49Å; D38-T43 PolarHBondContact OD2-OG1 3.37Å; N40-T43 WeakPolarHBondContact CB-OG1 3.4Å; N40-T43 PolarHBondContact O-N 2.99Å; N40-T43 PolarHBondContact O-OG1 3.08Å; T43-Q46 WeakPolarHBondContact O-CB 3.45Å; T43-Q46 PolarHBondContact O-N 3.08Å; T43-V47 PolarHBondContact O-N 3.41Å; T43-A80 HydrophobicContact CG2-CB 4.3Å; T43-A80 WeakPolarHBondContact O-CB 3.12Å; T43-N86 HydrophobicContact CG2-CB 4.24Å
44	R	97.1	Very high	95.9	Very high	55 Å²	55	53.4 Å²	53.4	21%	0.208	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-52.3	169.4	-168.6	-170.1	-174.1	86	8	112.1	L35 D38 N40 W42 Q46 V47 E48	L35-R44 HydrophobicContact CD2-CG 3.97Å; L35-R44 VanDerWaalsContact O-CZ 3.23Å; L35-R44 PolarHBondContact O-NH1 2.74Å; L35-R44 PolarHBondContact O-NH2 2.84Å; D38-R44 PolarHBondContact O-NH1 3.07Å; D38-R44 PolarHBondContact OD2-N 3.01Å; D38-R44 VanDerWaalsContact OD2-N 3.1Å; N40-R44 VanDerWaalsContact O-CB 3.23Å; N40-R44 WeakPolarHBondContact O-CB 3.39Å; N40-R44 PolarHBondContact O-N 3.31Å; W42-R44 VanDerWaalsContact C-N 3.31Å; W42-R44 PolarHBondContact O-N 3.33Å; R44-Q46 PolarHBondContact O-N 3.07Å; R44-V47 PolarHBondContact O-N 2.93Å; R44-E48 WeakPolarHBondContact CD-OE1 3.4Å; R44-E48 HydrophobicContact CG-CG 4.39Å; R44-E48 IonicContact CZ-OE1 2.68Å; R44-E48 IonicContact NE-OE1 3.67Å; R44-E48 PolarHBondContact NE-OE1 2.71Å; R44-E48 IonicContact NH2-OE1 2.99Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.23Å
45	A	96.7	Very high	95.8	Very high	49 Å²	49	59.4 Å²	59.4	41%	0.405	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-32.3	178.8	0	0	0	0	0	112.8	K41 W42 S49	K41-A45 VanDerWaalsContact O-CB 3.24Å; K41-A45 WeakPolarHBondContact O-CB 3.22Å; K41-A45 PolarHBondContact O-N 3Å; K41-A45 VanDerWaalsContact O-N 3.1Å; W42-A45 PolarHBondContact O-N 3.41Å; A45-S49 WeakPolarHBondContact O-CB 3.18Å; A45-S49 PolarHBondContact O-N 3.17Å
46	Q	96.8	Very high	95.7	Very high	41 Å²	41	61.3 Å²	61.3	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-45.3	171.9	-67.8	179.8	16.3	0	0	111.9	W42 T43 R44 L50 A80 E124	W42-Q46 WeakPolarHBondContact O-CG 3.45Å; W42-Q46 PolarHBondContact O-N 2.92Å; T43-Q46 WeakPolarHBondContact O-CB 3.45Å; T43-Q46 PolarHBondContact O-N 3.08Å; R44-Q46 PolarHBondContact O-N 3.07Å; Q46-L50 VanDerWaalsContact O-CG 3.28Å; Q46-L50 WeakPolarHBondContact O-CG 3.21Å; Q46-L50 PolarHBondContact O-N 2.87Å; Q46-L50 VanDerWaalsContact O-N 3.08Å; Q46-A80 HydrophobicContact CB-CB 3.85Å; Q46-E124 PolarHBondContact NE2-O 2.87Å
47	V	96.8	Very high	95.6	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-70.8	-43.7	179.1	172.6	0	0	0	0	111.4	V31 W34 L35 T43 R44 S49 L50 V51 L59 L63 A80	V31-V47 HydrophobicContact CG1-CG1 4.29Å; W34-V47 HydrophobicContact CD2-CG2 4.33Å; W34-V47 HydrophobicContact CG-CG1 4.48Å; W34-V47 HydrophobicContact CG-CG2 4.11Å; L35-V47 HydrophobicContact CD2-CG1 4.38Å; T43-V47 PolarHBondContact O-N 3.41Å; R44-V47 PolarHBondContact O-N 2.93Å; V47-S49 VanDerWaalsContact C-N 3.29Å; V47-S49 PolarHBondContact O-N 2.82Å; V47-L50 PolarHBondContact O-N 3.13Å; V47-V51 HydrophobicContact CG1-CG2 4.34Å; V47-V51 WeakPolarHBondContact O-CB 3.49Å; V47-V51 VanDerWaalsContact O-CG2 3.31Å; V47-V51 WeakPolarHBondContact O-CG2 3.49Å; V47-V51 PolarHBondContact O-N 2.83Å; V47-L59 HydrophobicContact CG1-CD2 4.09Å; V47-L63 HydrophobicContact CG1-CD1 4.3Å; V47-A80 HydrophobicContact CG2-CB 3.72Å
48	E	95.4	Very high	95.4	Very high	83 Å²	83	63 Å²	63	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-40.4	176.9	-68	173.4	164.3	0	0	111.5	L35 R44 V51 A52	L35-E48 HydrophobicContact CD2-CG 3.67Å; R44-E48 WeakPolarHBondContact CD-OE1 3.4Å; R44-E48 HydrophobicContact CG-CG 4.39Å; R44-E48 IonicContact CZ-OE1 2.68Å; R44-E48 IonicContact NE-OE1 3.67Å; R44-E48 PolarHBondContact NE-OE1 2.71Å; R44-E48 IonicContact NH2-OE1 2.99Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.23Å; E48-V51 PolarHBondContact O-N 2.64Å; E48-A52 WeakPolarHBondContact O-CB 3.38Å; E48-A52 PolarHBondContact O-N 3.37Å
49	S	95.4	Very high	95.3	Very high	76 Å²	76	63 Å²	63	53%	0.531	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-46.4	174.4	-178	0	0	0	0	112.9	A45 V47 V51 A52 A53	A45-S49 WeakPolarHBondContact O-CB 3.18Å; A45-S49 PolarHBondContact O-N 3.17Å; V47-S49 VanDerWaalsContact C-N 3.29Å; V47-S49 PolarHBondContact O-N 2.82Å; S49-V51 VanDerWaalsContact C-N 3.3Å; S49-V51 PolarHBondContact O-N 2.8Å; S49-A52 PolarHBondContact O-N 2.82Å; S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.15Å; S49-A53 PolarHBondContact O-N 3.27Å
50	L	95.3	Very high	95.3	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-36.9	177	-72.3	172.8	0	0	0	112.4	Q46 V47 G54 R55 D58 L59	Q46-L50 VanDerWaalsContact O-CG 3.28Å; Q46-L50 WeakPolarHBondContact O-CG 3.21Å; Q46-L50 PolarHBondContact O-N 2.87Å; Q46-L50 VanDerWaalsContact O-N 3.08Å; V47-L50 PolarHBondContact O-N 3.13Å; L50-G54 PolarHBondContact O-N 2.7Å; L50-G54 VanDerWaalsContact O-N 3.15Å; L50-R55 HydrophobicContact CB-CB 4.35Å; L50-R55 HydrophobicContact CD2-CB 3.7Å; L50-R55 HydrophobicContact CD2-CG 4.11Å; L50-R55 PolarHBondContact O-N 3.31Å; L50-D58 HydrophobicContact CD1-CB 4.19Å; L50-D58 HydrophobicContact CD2-CB 3.83Å; L50-L59 HydrophobicContact CB-CD1 4.46Å; L50-L59 HydrophobicContact CB-CD2 3.65Å; L50-L59 HydrophobicContact CB-CG 3.91Å; L50-L59 HydrophobicContact CD1-CD2 4.14Å
51	V	94.3	Very high	95.1	Very high	14 Å²	14	61.7 Å²	61.7	9%	0.085	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-50.5	173.2	165.3	0	0	0	0	111	W19 V31 V47 E48 S49 A53 G54 L59	W19-V51 HydrophobicContact CB-CG1 4.22Å; W19-V51 HydrophobicContact CD2-CG1 4.21Å; W19-V51 HydrophobicContact CE3-CG1 3.41Å; W19-V51 VanDerWaalsContact CE3-CG1 3.41Å; W19-V51 HydrophobicContact CE3-CG2 4.28Å; W19-V51 HydrophobicContact CZ3-CG1 4.06Å; W19-V51 HydrophobicContact CZ3-CG2 4.38Å; V31-V51 HydrophobicContact CG1-CG2 3.73Å; V31-V51 HydrophobicContact CG2-CG2 4.31Å; V47-V51 HydrophobicContact CG1-CG2 4.34Å; V47-V51 WeakPolarHBondContact O-CB 3.49Å; V47-V51 VanDerWaalsContact O-CG2 3.31Å; V47-V51 WeakPolarHBondContact O-CG2 3.49Å; V47-V51 PolarHBondContact O-N 2.83Å; E48-V51 PolarHBondContact O-N 2.64Å; S49-V51 VanDerWaalsContact C-N 3.3Å; S49-V51 PolarHBondContact O-N 2.8Å; V51-A53 VanDerWaalsContact C-N 3.27Å; V51-A53 PolarHBondContact O-N 2.93Å; V51-G54 PolarHBondContact O-N 3.27Å; V51-L59 HydrophobicContact CG2-CD1 3.82Å; V51-L59 HydrophobicContact CG2-CD2 4.14Å
52	A	92.9	Very high	95	Very high	87 Å²	87	57.2 Å²	57.2	72%	0.719	32%	0.316	S	S	*	.	H	α-helix	trans	-60.4	-37.5	178.9	0	0	0	0	0	112.3	E48 S49 G54	E48-A52 WeakPolarHBondContact O-CB 3.38Å; E48-A52 PolarHBondContact O-N 3.37Å; S49-A52 PolarHBondContact O-N 2.82Å; A52-G54 VanDerWaalsContact C-N 3.31Å; A52-G54 PolarHBondContact O-N 3.24Å
53	A	94.3	Very high	95	Very high	69 Å²	69	52 Å²	52	57%	0.57	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.8	176.8	0	0	0	0	0	114.5	S49 V51 R55	S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.15Å; S49-A53 PolarHBondContact O-N 3.27Å; V51-A53 VanDerWaalsContact C-N 3.27Å; V51-A53 PolarHBondContact O-N 2.93Å; A53-R55 VanDerWaalsContact C-N 3.29Å; A53-R55 HydrophobicContact CB-CG 3.92Å; A53-R55 PolarHBondContact O-N 3.05Å
54	G	92.8	Very high	94.9	Very high	48 Å²	48	53.8 Å²	53.8	50%	0.495	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	27	179.8	0	0	0	0	0	114.6	L50 V51 A52 L56	L50-G54 PolarHBondContact O-N 2.7Å; L50-G54 VanDerWaalsContact O-N 3.15Å; V51-G54 PolarHBondContact O-N 3.27Å; A52-G54 VanDerWaalsContact C-N 3.31Å; A52-G54 PolarHBondContact O-N 3.24Å; G54-L56 VanDerWaalsContact C-N 3.27Å; G54-L56 PolarHBondContact O-N 3.24Å
55	R	94.9	Very high	94.6	Very high	126 Å²	126	53.8 Å²	53.8	48%	0.475	32%	0.318	S	S	.	.			trans	-81.4	67.8	-174.8	-69.1	-66.8	-61.4	-98.8	-3.8	112	L50 A53 E57 D58 L59	L50-R55 HydrophobicContact CB-CB 4.35Å; L50-R55 HydrophobicContact CD2-CB 3.7Å; L50-R55 HydrophobicContact CD2-CG 4.11Å; L50-R55 PolarHBondContact O-N 3.31Å; A53-R55 VanDerWaalsContact C-N 3.29Å; A53-R55 HydrophobicContact CB-CG 3.92Å; A53-R55 PolarHBondContact O-N 3.05Å; R55-E57 PolarHBondContact O-N 2.81Å; R55-D58 HydrophobicContact CB-CB 4.14Å; R55-D58 IonicContact CZ-OD1 3.43Å; R55-D58 VanDerWaalsContact CZ-OD1 3.28Å; R55-D58 IonicContact CZ-OD2 3.89Å; R55-D58 IonicContact NE-OD1 3.72Å; R55-D58 PolarHBondContact NE-OD1 2.96Å; R55-D58 IonicContact NE-OD2 2.8Å; R55-D58 IonicContact NH2-OD1 3.65Å; R55-D58 PolarHBondContact NH2-OD1 3.16Å; R55-D58 IonicContact NH2-OD2 3.89Å; R55-D58 PolarHBondContact NH2-OD2 3.24Å; R55-D58 PolarHBondContact O-N 2.84Å; R55-L59 WeakPolarHBondContact O-CG 3.19Å; R55-L59 PolarHBondContact O-N 2.81Å; R55-L59 VanDerWaalsContact O-N 3.1Å
56	L	94.4	Very high	94.4	Very high	57 Å²	57	54.8 Å²	54.8	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-43.7	-170.5	-56.4	-168	0	0	0	113.5	T22 L27 G54 L59 R60	T22-L56 HydrophobicContact CG2-CD2 3.67Å; L27-L56 HydrophobicContact CD2-CB 4.43Å; L27-L56 HydrophobicContact CD2-CD2 4.38Å; G54-L56 VanDerWaalsContact C-N 3.27Å; G54-L56 PolarHBondContact O-N 3.24Å; L56-L59 WeakPolarHBondContact O-CB 3.5Å; L56-L59 PolarHBondContact O-N 2.8Å; L56-R60 WeakPolarHBondContact O-CG 3.23Å; L56-R60 PolarHBondContact O-N 2.89Å
57	E	93.4	Very high	94.2	Very high	127 Å²	127	54.1 Å²	54.1	59%	0.593	31%	0.308	S	S	*	.	H	α-helix	trans	-68.5	-38.5	-178.7	-62.8	-49.5	116.7	0	0	112.6	R55 L59 R60 S61	R55-E57 PolarHBondContact O-N 2.81Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.13Å; E57-R60 PolarHBondContact O-N 3.34Å; E57-R60 VanDerWaalsContact OE1-CD 3.26Å; E57-R60 WeakPolarHBondContact OE1-CD 3.38Å; E57-R60 IonicContact OE1-NE 3.76Å; E57-R60 PolarHBondContact OE1-NE 3.5Å; E57-S61 VanDerWaalsContact O-CB 3.29Å; E57-S61 WeakPolarHBondContact O-CB 3.39Å; E57-S61 PolarHBondContact O-N 3.45Å; E57-S61 PolarHBondContact O-OG 2.93Å
58	D	93.1	Very high	93.8	Very high	39 Å²	39	58.1 Å²	58.1	21%	0.209	34%	0.336	C	S	.	.	H	α-helix	trans	-58	-47.1	170.8	-63	56.7	0	0	0	110.9	L50 R55 S61 R62	L50-D58 HydrophobicContact CD1-CB 4.19Å; L50-D58 HydrophobicContact CD2-CB 3.83Å; R55-D58 HydrophobicContact CB-CB 4.14Å; R55-D58 IonicContact CZ-OD1 3.43Å; R55-D58 VanDerWaalsContact CZ-OD1 3.28Å; R55-D58 IonicContact CZ-OD2 3.89Å; R55-D58 IonicContact NE-OD1 3.72Å; R55-D58 PolarHBondContact NE-OD1 2.96Å; R55-D58 IonicContact NE-OD2 2.8Å; R55-D58 IonicContact NH2-OD1 3.65Å; R55-D58 PolarHBondContact NH2-OD1 3.16Å; R55-D58 IonicContact NH2-OD2 3.89Å; R55-D58 PolarHBondContact NH2-OD2 3.24Å; R55-D58 PolarHBondContact O-N 2.84Å; D58-S61 PolarHBondContact O-N 3.31Å; D58-S61 PolarHBondContact O-OG 3.28Å; D58-R62 WeakPolarHBondContact O-CD 3.36Å; D58-R62 VanDerWaalsContact O-CG 3.27Å; D58-R62 WeakPolarHBondContact O-CG 3.48Å; D58-R62 PolarHBondContact O-N 2.84Å; D58-R62 VanDerWaalsContact O-N 3.17Å
59	L	95.6	Very high	93.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-47.3	177.2	-69.2	168.2	0	0	0	111.7	T22 L27 V31 V47 L50 V51 R55 L56 E57 S61 R62 L63	T22-L59 HydrophobicContact CG2-CD1 4.49Å; L27-L59 HydrophobicContact CD1-CB 3.95Å; L27-L59 HydrophobicContact CD2-CB 4.32Å; V31-L59 HydrophobicContact CG2-CD2 4.39Å; V47-L59 HydrophobicContact CG1-CD2 4.09Å; L50-L59 HydrophobicContact CB-CD1 4.46Å; L50-L59 HydrophobicContact CB-CD2 3.65Å; L50-L59 HydrophobicContact CB-CG 3.91Å; L50-L59 HydrophobicContact CD1-CD2 4.14Å; V51-L59 HydrophobicContact CG2-CD1 3.82Å; V51-L59 HydrophobicContact CG2-CD2 4.14Å; R55-L59 WeakPolarHBondContact O-CG 3.19Å; R55-L59 PolarHBondContact O-N 2.81Å; R55-L59 VanDerWaalsContact O-N 3.1Å; L56-L59 WeakPolarHBondContact O-CB 3.5Å; L56-L59 PolarHBondContact O-N 2.8Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.13Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 3.46Å; L59-R62 PolarHBondContact O-N 3.07Å; L59-L63 HydrophobicContact CB-CD1 4.49Å; L59-L63 HydrophobicContact CD2-CD1 3.98Å; L59-L63 VanDerWaalsContact O-CB 3.31Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 PolarHBondContact O-N 3.08Å
60	R	94.8	Very high	92.9	Very high	76 Å²	76	53 Å²	53	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-56.2	-49.3	175.2	-71.6	176.7	-169.6	-67.7	-0.9	111.1	D24 L27 L56 E57 R62 L63 C64	D24-R60 IonicContact OD2-CZ 3.3Å; D24-R60 VanDerWaalsContact OD2-CZ 3.26Å; D24-R60 IonicContact OD2-NH1 3.2Å; D24-R60 PolarHBondContact OD2-NH1 3.16Å; D24-R60 IonicContact OD2-NH2 3.08Å; D24-R60 PolarHBondContact OD2-NH2 3.28Å; L27-R60 HydrophobicContact CD1-CG 4.04Å; L27-R60 HydrophobicContact CD2-CG 3.9Å; L56-R60 WeakPolarHBondContact O-CG 3.23Å; L56-R60 PolarHBondContact O-N 2.89Å; E57-R60 PolarHBondContact O-N 3.34Å; E57-R60 VanDerWaalsContact OE1-CD 3.26Å; E57-R60 WeakPolarHBondContact OE1-CD 3.38Å; E57-R60 IonicContact OE1-NE 3.76Å; E57-R60 PolarHBondContact OE1-NE 3.5Å; R60-R62 PolarHBondContact O-N 2.84Å; R60-L63 PolarHBondContact O-N 2.75Å; R60-C64 WeakPolarHBondContact O-CB 3.25Å; R60-C64 PolarHBondContact O-N 2.94Å
61	S	92.4	Very high	92	Very high	59 Å²	59	54.8 Å²	54.8	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-25.1	-177.7	79.5	0	0	0	0	113	E57 D58 L59 N83	E57-S61 VanDerWaalsContact O-CB 3.29Å; E57-S61 WeakPolarHBondContact O-CB 3.39Å; E57-S61 PolarHBondContact O-N 3.45Å; E57-S61 PolarHBondContact O-OG 2.93Å; D58-S61 PolarHBondContact O-N 3.31Å; D58-S61 PolarHBondContact O-OG 3.28Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 3.46Å; S61-N83 PolarHBondContact O-ND2 3.03Å; S61-N83 PolarHBondContact O-OD1 3.45Å
62	R	95	Very high	91.3	Very high	57 Å²	57	55.8 Å²	55.8	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-98.6	-34.9	-178.1	-68.8	168.7	-171.9	-128.5	10.7	113.8	D58 L59 R60 A80 G81 F82 N83	D58-R62 WeakPolarHBondContact O-CD 3.36Å; D58-R62 VanDerWaalsContact O-CG 3.27Å; D58-R62 WeakPolarHBondContact O-CG 3.48Å; D58-R62 PolarHBondContact O-N 2.84Å; D58-R62 VanDerWaalsContact O-N 3.17Å; L59-R62 PolarHBondContact O-N 3.07Å; R60-R62 PolarHBondContact O-N 2.84Å; R62-A80 WeakPolarHBondContact CD-O 3.27Å; R62-G81 CarbonylContact O-C 3.27Å; R62-G81 WeakPolarHBondContact O-CA 3.46Å; R62-F82 PolarHBondContact O-N 2.8Å; R62-N83 WeakPolarHBondContact CA-OD1 3.38Å; R62-N83 PolarHBondContact O-N 2.85Å; R62-N83 PolarHBondContact O-OD1 2.89Å
63	L	96.6	Very high	91.2	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-112.2	-19.7	-166.9	-62.6	171.5	0	0	0	114.5	A30 V31 W34 V47 L59 R60 F82	A30-L63 HydrophobicContact CB-CB 4Å; V31-L63 HydrophobicContact CB-CD1 4.45Å; V31-L63 HydrophobicContact CG2-CD1 3.64Å; W34-L63 HydrophobicContact CB-CD2 3.9Å; W34-L63 HydrophobicContact CD2-CD2 3.83Å; W34-L63 HydrophobicContact CE3-CD2 3.63Å; W34-L63 HydrophobicContact CG-CD2 3.94Å; V47-L63 HydrophobicContact CG1-CD1 4.3Å; L59-L63 HydrophobicContact CB-CD1 4.49Å; L59-L63 HydrophobicContact CD2-CD1 3.98Å; L59-L63 VanDerWaalsContact O-CB 3.31Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 PolarHBondContact O-N 3.08Å; R60-L63 PolarHBondContact O-N 2.75Å; L63-F82 HydrophobicContact CB-CD2 4.48Å; L63-F82 HydrophobicContact CD2-CD2 4.01Å; L63-F82 HydrophobicContact CD2-CE2 4.08Å
64	C	94.1	Very high	91.2	Very high	39 Å²	39	48.6 Å²	48.6	26%	0.264	27%	0.272	S	S	.	.	S	Bend	trans	-92.4	7.2	-177.6	-72.3	0	0	0	0	115	R60	R60-C64 WeakPolarHBondContact O-CB 3.25Å; R60-C64 PolarHBondContact O-N 2.94Å
65	S	91.9	Very high	91.2	Very high	55 Å²	55	49.8 Å²	49.8	39%	0.385	26%	0.262	S	S	.	.			trans	-142.3	165.1	175.7	62.1	0	0	0	0	110.9	F82 N83	S65-F82 CarbonylContact O-C 3.47Å; S65-N83 PolarHBondContact O-N 3.35Å; S65-N83 PolarHBondContact OG-ND2 3.13Å
66	R	92.6	Very high	91.1	Very high	70 Å²	70	44.2 Å²	44.2	26%	0.264	24%	0.243	S	C	.	.			trans	-123.6	162.1	175.7	-63.9	-167	63.7	85.7	-0	111	F82 Q92 L212	R66-F82 WeakPolarHBondContact CA-O 3.29Å; R66-F82 HydrophobicContact CG-CB 4.14Å; R66-Q92 VanDerWaalsContact CZ-OE1 3.32Å; R66-L212 VanDerWaalsContact CZ-CD2 3.47Å
67	M	92.8	Very high	91.2	Very high	26 Å²	26	44 Å²	44	13%	0.128	24%	0.244	C	C	.	.			trans	-66.8	152.7	171.7	-62.9	179.6	-77.2	0	0	111.7	L74 A76 R84 I85 T89	M67-L74 HydrophobicContact CB-CD2 4.29Å; M67-L74 HydrophobicContact SD-CB 4.47Å; M67-A76 HydrophobicContact CG-CB 4.14Å; M67-A76 HydrophobicContact SD-CB 3.72Å; M67-R84 WeakPolarHBondContact CE-O 3.44Å; M67-I85 HydrophobicContact CE-CD1 3.85Å; M67-I85 HydrophobicContact SD-CD1 3.54Å; M67-I85 VanDerWaalsContact SD-CD1 3.54Å; M67-I85 HydrophobicContact SD-CG1 3.89Å; M67-T89 HydrophobicContact CE-CG2 4.13Å
68	S	88.8	Confident	91.3	Very high	85 Å²	85	38.3 Å²	38.3	59%	0.594	22%	0.218	S	C	*	.			trans	-129.9	156	173.1	59.3	0	0	0	0	110.6	G70 L74	S68-G70 PolarHBondContact O-N 3.3Å; S68-L74 VanDerWaalsContact C-CD2 3.44Å
69	F	87.1	Confident	91.5	Very high	26 Å²	26	36.6 Å²	36.6	11%	0.114	21%	0.21	C	C	.	.			trans	-69.8	123.3	178	-77.7	-69.6	0	0	0	111.3	L74 V188 I196 D201 V204 L205	F69-L74 HydrophobicContact CB-CD2 4.46Å; F69-L74 HydrophobicContact CD1-CD2 3.71Å; F69-L74 HydrophobicContact CD1-CG 3.93Å; F69-L74 HydrophobicContact CD2-CD2 4.08Å; F69-L74 HydrophobicContact CE1-CD1 4.47Å; F69-L74 HydrophobicContact CE1-CD2 3.84Å; F69-L74 HydrophobicContact CE1-CG 3.65Å; F69-L74 HydrophobicContact CE2-CD2 4.18Å; F69-L74 HydrophobicContact CG-CD2 3.82Å; F69-L74 HydrophobicContact CZ-CD1 4.42Å; F69-L74 HydrophobicContact CZ-CD2 4.06Å; F69-L74 HydrophobicContact CZ-CG 4.01Å; F69-V188 HydrophobicContact CE1-CG2 4.07Å; F69-V188 HydrophobicContact CZ-CG2 4.22Å; F69-I196 HydrophobicContact CE1-CD1 4.07Å; F69-I196 HydrophobicContact CE2-CD1 4.11Å; F69-I196 HydrophobicContact CZ-CD1 3.87Å; F69-D201 HydrophobicContact CB-CB 4.07Å; F69-D201 HydrophobicContact CD2-CB 3.84Å; F69-D201 WeakPolarHBondContact CD2-O 3.38Å; F69-D201 HydrophobicContact CG-CB 4.08Å; F69-V204 HydrophobicContact CE2-CB 4.02Å; F69-V204 HydrophobicContact CE2-CG1 3.79Å; F69-V204 HydrophobicContact CZ-CG1 3.93Å; F69-L205 HydrophobicContact CD2-CD1 3.85Å; F69-L205 HydrophobicContact CD2-CD2 4.05Å; F69-L205 HydrophobicContact CD2-CG 3.64Å; F69-L205 HydrophobicContact CE2-CD2 4.19Å; F69-L205 HydrophobicContact CE2-CG 3.91Å
70	G	82.9	Confident	91.6	Very high	26 Å²	26	36.6 Å²	36.6	27%	0.268	21%	0.21	S	C	.	.			trans	-88.8	-148.2	173.5	0	0	0	0	0	113.3	S68 G73 K416	S68-G70 PolarHBondContact O-N 3.3Å; G70-G73 PolarHBondContact N-O 2.73Å; G70-K416 PolarHBondContact O-NZ 3.2Å
71	T	76.5	Confident	91.7	Very high	58 Å²	58	33 Å²	33	36%	0.356	20%	0.196	S	C	.	.	S	Bend	trans	-69.5	-36.8	168.4	46.6	0	0	0	0	111.8	Q195	T71-Q195 PolarHBondContact O-NE2 2.72Å; T71-Q195 PolarHBondContact O-OE1 3.09Å
72	A	80.6	Confident	92	Very high	34 Å²	34	30.7 Å²	30.7	28%	0.281	18%	0.179	S	C	.	.	S	Bend	trans	-129.2	60.5	-171.4	0	0	0	0	0	112.9
73	G	90	Very high	91.9	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	85.5	-168.4	178.7	0	0	0	0	0	115.5	G70 Y186	G70-G73 PolarHBondContact N-O 2.73Å; G73-Y186 WeakPolarHBondContact CA-O 3.26Å
74	L	94.1	Very high	91.9	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.1	162.1	-53.4	176.8	0	0	0	107.5	M67 S68 F69 S93 G185 Y186 L205	M67-L74 HydrophobicContact CB-CD2 4.29Å; M67-L74 HydrophobicContact SD-CB 4.47Å; S68-L74 VanDerWaalsContact C-CD2 3.44Å; F69-L74 HydrophobicContact CB-CD2 4.46Å; F69-L74 HydrophobicContact CD1-CD2 3.71Å; F69-L74 HydrophobicContact CD1-CG 3.93Å; F69-L74 HydrophobicContact CD2-CD2 4.08Å; F69-L74 HydrophobicContact CE1-CD1 4.47Å; F69-L74 HydrophobicContact CE1-CD2 3.84Å; F69-L74 HydrophobicContact CE1-CG 3.65Å; F69-L74 HydrophobicContact CE2-CD2 4.18Å; F69-L74 HydrophobicContact CG-CD2 3.82Å; F69-L74 HydrophobicContact CZ-CD1 4.42Å; F69-L74 HydrophobicContact CZ-CD2 4.06Å; F69-L74 HydrophobicContact CZ-CG 4.01Å; L74-S93 WeakPolarHBondContact CD1-OG 3.28Å; L74-G185 CarbonylContact O-C 3.56Å; L74-G185 WeakPolarHBondContact O-CA 3.29Å; L74-Y186 PolarHBondContact N-O 3.22Å; L74-Y186 PolarHBondContact O-N 3.27Å; L74-L205 HydrophobicContact CD2-CD2 4.26Å
75	R	93.3	Very high	92.1	Very high	73 Å²	73	29.6 Å²	29.6	28%	0.275	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130.3	179.1	-171.3	178.1	66.5	-177.7	0.2	110	A176 N179 N184	R75-A176 HydrophobicContact CG-CB 3.96Å; R75-N179 PolarHBondContact NH1-OD1 3.03Å; R75-N184 WeakPolarHBondContact CG-O 3.26Å
76	A	94.1	Very high	92.4	Very high	10 Å²	10	27 Å²	27	8%	0.083	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	166	178	0	0	0	0	0	110.4	M67 N83 I85 N184	M67-A76 HydrophobicContact CG-CB 4.14Å; M67-A76 HydrophobicContact SD-CB 3.72Å; A76-N83 WeakPolarHBondContact CB-O 3.43Å; A76-I85 HydrophobicContact CB-CG1 4.3Å; A76-N184 PolarHBondContact N-O 2.84Å; A76-N184 PolarHBondContact O-N 2.93Å; A76-N184 VanDerWaalsContact O-N 3.14Å
77	P	95.1	Very high	92.7	Very high	51 Å²	51	23.7 Å²	23.7	33%	0.331	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	144.1	168.3	-23.6	32.5	0	0	0	111	R84 I85 E182 D183	P77-R84 WeakPolarHBondContact O-CA 3.27Å; P77-R84 WeakPolarHBondContact O-CB 3.47Å; P77-R84 WeakPolarHBondContact O-CD 3.45Å; P77-I85 PolarHBondContact O-N 2.86Å; P77-E182 CarbonylContact C-O 3.58Å; P77-E182 WeakPolarHBondContact CA-O 3.45Å; P77-D183 VanDerWaalsContact CA-OD1 3.25Å; P77-D183 WeakPolarHBondContact CA-OD1 3.38Å; P77-D183 WeakPolarHBondContact CD-OD1 3.46Å; P77-D183 WeakPolarHBondContact CG-OD1 3.41Å; P77-D183 VanDerWaalsContact N-OD1 3.12Å
78	M	96.9	Very high	93	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.044	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-70.3	148.6	167.7	-71.1	-178.1	-78.4	0	0	110.5	I85 R120 Q122 C127 K181 E182 N184	M78-I85 VanDerWaalsContact CA-O 3.28Å; M78-I85 WeakPolarHBondContact CA-O 3.38Å; M78-I85 HydrophobicContact CG-CB 4.28Å; M78-I85 HydrophobicContact CG-CG2 4.34Å; M78-R120 HydrophobicContact CE-CG 4.42Å; M78-Q122 VanDerWaalsContact C-OE1 3.31Å; M78-Q122 HydrophobicContact CB-CB 4.28Å; M78-Q122 VanDerWaalsContact CB-OE1 3.26Å; M78-Q122 HydrophobicContact CE-CB 3.71Å; M78-Q122 PolarHBondContact O-OE1 2.75Å; M78-Q122 HydrophobicContact SD-CB 4.17Å; M78-C127 HydrophobicContact CG-CB 4.5Å; M78-C127 HydrophobicContact SD-CB 3.94Å; M78-K181 WeakPolarHBondContact CE-O 3.36Å; M78-E182 PolarHBondContact N-O 2.91Å; M78-N184 HydrophobicContact CE-CB 4.03Å; M78-N184 HydrophobicContact CG-CB 3.62Å; M78-N184 HydrophobicContact SD-CB 3.65Å
79	G	96.9	Very high	93.4	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	133.5	-177.1	-178.6	0	0	0	0	0	113.7	R84 I85 N86	G79-R84 WeakPolarHBondContact O-CB 3.41Å; G79-I85 PolarHBondContact N-O 2.74Å; G79-N86 PolarHBondContact O-ND2 3.19Å
80	A	97.4	Very high	94	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-76	137.1	-176.1	0	0	0	0	0	113	W34 T43 Q46 V47 R62	W34-A80 HydrophobicContact CZ2-CB 3.86Å; T43-A80 HydrophobicContact CG2-CB 4.3Å; T43-A80 WeakPolarHBondContact O-CB 3.12Å; Q46-A80 HydrophobicContact CB-CB 3.85Å; V47-A80 HydrophobicContact CG2-CB 3.72Å; R62-A80 WeakPolarHBondContact CD-O 3.27Å
81	G	97.4	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	140.3	152.9	-177.8	0	0	0	0	0	113.1	W34 R62 N83 R84 N86	W34-G81 WeakPolarHBondContact CZ3-O 3.48Å; R62-G81 CarbonylContact O-C 3.27Å; R62-G81 WeakPolarHBondContact O-CA 3.46Å; G81-N83 VanDerWaalsContact C-N 3.26Å; G81-N83 PolarHBondContact O-N 3.4Å; G81-R84 PolarHBondContact O-N 3.21Å; G81-N86 PolarHBondContact O-ND2 3.45Å
82	F	97.3	Very high	95.8	Very high	11 Å²	11	13.2 Å²	13.2	5%	0.048	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.1	174.2	-62.7	-56.1	0	0	0	113.1	Q33 W34 W37 R62 L63 S65 R66 L88	Q33-F82 HydrophobicContact CB-CZ 4.39Å; W34-F82 HydrophobicContact CB-CZ 4.2Å; W34-F82 AromaticContact CE3-CD1 3.8Å; W34-F82 HydrophobicContact CE3-CD1 3.8Å; W34-F82 HydrophobicContact CE3-CD2 4.47Å; W34-F82 AromaticContact CE3-CE1 3.6Å; W34-F82 HydrophobicContact CE3-CE1 3.6Å; W34-F82 HydrophobicContact CE3-CE2 4.29Å; W34-F82 HydrophobicContact CE3-CG 4.24Å; W34-F82 AromaticContact CE3-CZ 3.86Å; W34-F82 HydrophobicContact CE3-CZ 3.86Å; W34-F82 AromaticContact CZ3-CD1 3.84Å; W34-F82 HydrophobicContact CZ3-CD1 3.84Å; W34-F82 AromaticContact CZ3-CE1 3.99Å; W34-F82 HydrophobicContact CZ3-CE1 3.99Å; W34-F82 HydrophobicContact CZ3-CG 4.41Å; W37-F82 HydrophobicContact CE3-CE1 4.05Å; W37-F82 AromaticContact CE3-CZ 3.98Å; W37-F82 HydrophobicContact CE3-CZ 3.98Å; W37-F82 HydrophobicContact CZ3-CE1 4.29Å; W37-F82 HydrophobicContact CZ3-CZ 4.08Å; R62-F82 PolarHBondContact O-N 2.8Å; L63-F82 HydrophobicContact CB-CD2 4.48Å; L63-F82 HydrophobicContact CD2-CD2 4.01Å; L63-F82 HydrophobicContact CD2-CE2 4.08Å; S65-F82 CarbonylContact O-C 3.47Å; R66-F82 WeakPolarHBondContact CA-O 3.29Å; R66-F82 HydrophobicContact CG-CB 4.14Å; F82-L88 HydrophobicContact CE1-CD2 3.85Å
83	N	94.5	Very high	96.6	Very high	23 Å²	23	11.8 Å²	11.8	12%	0.123	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	27.4	170.7	75	-11.2	0	0	0	113.4	S61 R62 S65 A76 G81	S61-N83 PolarHBondContact O-ND2 3.03Å; S61-N83 PolarHBondContact O-OD1 3.45Å; R62-N83 WeakPolarHBondContact CA-OD1 3.38Å; R62-N83 PolarHBondContact O-N 2.85Å; R62-N83 PolarHBondContact O-OD1 2.89Å; S65-N83 PolarHBondContact O-N 3.35Å; S65-N83 PolarHBondContact OG-ND2 3.13Å; A76-N83 WeakPolarHBondContact CB-O 3.43Å; G81-N83 VanDerWaalsContact C-N 3.26Å; G81-N83 PolarHBondContact O-N 3.4Å
84	R	96.9	Very high	97	Very high	55 Å²	55	11.7 Å²	11.7	21%	0.208	6%	0.058	C	C	.	.	S	Bend	trans	-126.3	157.6	176.9	-66.1	-67.3	175.8	-86.4	-1.9	109	M67 P77 G79 G81 N86 T89	M67-R84 WeakPolarHBondContact CE-O 3.44Å; P77-R84 WeakPolarHBondContact O-CA 3.27Å; P77-R84 WeakPolarHBondContact O-CB 3.47Å; P77-R84 WeakPolarHBondContact O-CD 3.45Å; G79-R84 WeakPolarHBondContact O-CB 3.41Å; G81-R84 PolarHBondContact O-N 3.21Å; R84-N86 PolarHBondContact O-ND2 3.09Å; R84-T89 WeakPolarHBondContact O-CG2 3.18Å; R84-T89 PolarHBondContact O-OG1 3.31Å
85	I	97.6	Very high	97.3	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-84.1	125.9	171.3	-64.8	-75.6	0	0	0	108.7	M67 A76 P77 M78 G79 V90 L132 N184	M67-I85 HydrophobicContact CE-CD1 3.85Å; M67-I85 HydrophobicContact SD-CD1 3.54Å; M67-I85 VanDerWaalsContact SD-CD1 3.54Å; M67-I85 HydrophobicContact SD-CG1 3.89Å; A76-I85 HydrophobicContact CB-CG1 4.3Å; P77-I85 PolarHBondContact O-N 2.86Å; M78-I85 VanDerWaalsContact CA-O 3.28Å; M78-I85 WeakPolarHBondContact CA-O 3.38Å; M78-I85 HydrophobicContact CG-CB 4.28Å; M78-I85 HydrophobicContact CG-CG2 4.34Å; G79-I85 PolarHBondContact N-O 2.74Å; I85-V90 HydrophobicContact CG2-CG2 4.24Å; I85-L132 HydrophobicContact CG2-CD1 3.5Å; I85-L132 VanDerWaalsContact CG2-CD1 3.5Å; I85-N184 HydrophobicContact CB-CB 4.36Å; I85-N184 WeakPolarHBondContact CG1-O 3.39Å; I85-N184 HydrophobicContact CG2-CB 3.95Å
86	N	98.1	Very high	97.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-164.6	172.3	179.3	48.7	60.8	0	0	0	109.8	T43 G79 G81 R84 L88 T89 V90	T43-N86 HydrophobicContact CG2-CB 4.24Å; G79-N86 PolarHBondContact O-ND2 3.19Å; G81-N86 PolarHBondContact O-ND2 3.45Å; R84-N86 PolarHBondContact O-ND2 3.09Å; N86-L88 PolarHBondContact O-N 2.98Å; N86-L88 PolarHBondContact OD1-N 2.93Å; N86-T89 VanDerWaalsContact CG-OG1 3.28Å; N86-T89 PolarHBondContact N-OG1 2.88Å; N86-T89 VanDerWaalsContact N-OG1 3.07Å; N86-T89 PolarHBondContact O-N 3.35Å; N86-T89 PolarHBondContact O-OG1 2.84Å; N86-T89 VanDerWaalsContact O-OG1 3.08Å; N86-T89 WeakPolarHBondContact OD1-CB 3.4Å; N86-T89 WeakPolarHBondContact OD1-CG2 3.41Å; N86-T89 PolarHBondContact OD1-N 3.19Å; N86-T89 PolarHBondContact OD1-OG1 2.99Å; N86-V90 WeakPolarHBondContact O-CB 3.41Å; N86-V90 WeakPolarHBondContact O-CG2 3.46Å; N86-V90 PolarHBondContact O-N 3.16Å
87	D	98.3	Very high	97.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-45.5	-55.4	177.3	-60.4	40.7	0	0	0	112.5	N40 T89 V90 I91 C127 R131 L135 W220	N40-D87 HydrophobicContact CB-CB 4.24Å; N40-D87 PolarHBondContact ND2-OD1 3.37Å; D87-T89 PolarHBondContact O-N 2.84Å; D87-V90 PolarHBondContact O-N 2.97Å; D87-I91 WeakPolarHBondContact O-CB 3.37Å; D87-I91 WeakPolarHBondContact O-CD1 3.47Å; D87-I91 VanDerWaalsContact O-CG1 3.24Å; D87-I91 WeakPolarHBondContact O-CG1 3.23Å; D87-I91 PolarHBondContact O-N 3.14Å; D87-C127 PolarHBondContact OD1-SG 3.45Å; D87-R131 IonicContact OD1-NE 2.72Å; D87-R131 PolarHBondContact OD1-NE 2.94Å; D87-R131 IonicContact OD2-CZ 3.19Å; D87-R131 IonicContact OD2-NE 2.67Å; D87-R131 PolarHBondContact OD2-NE 3.3Å; D87-R131 IonicContact OD2-NH2 2.69Å; D87-R131 PolarHBondContact OD2-NH2 3.08Å; D87-L135 HydrophobicContact CB-CD1 3.59Å; D87-W220 HydrophobicContact CB-CE3 4.31Å; D87-W220 HydrophobicContact CB-CH2 4.26Å; D87-W220 HydrophobicContact CB-CZ3 3.57Å
88	L	98.5	Very high	97.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61.6	-46.6	-176.7	177.8	57.1	0	0	0	112.7	W34 W37 D38 F82 N86 I91 Q92 P214 W220	W34-L88 HydrophobicContact CE3-CD2 4.12Å; W34-L88 HydrophobicContact CH2-CD2 4.35Å; W34-L88 HydrophobicContact CZ3-CD2 3.96Å; W37-L88 HydrophobicContact CB-CD1 3.89Å; W37-L88 HydrophobicContact CB-CD2 3.86Å; D38-L88 HydrophobicContact CB-CD2 4.06Å; F82-L88 HydrophobicContact CE1-CD2 3.85Å; N86-L88 PolarHBondContact O-N 2.98Å; N86-L88 PolarHBondContact OD1-N 2.93Å; L88-I91 PolarHBondContact O-N 3.19Å; L88-Q92 HydrophobicContact CD1-CG 4.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.45Å; L88-Q92 VanDerWaalsContact O-CG 3.25Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 2.88Å; L88-P214 HydrophobicContact CD1-CG 3.6Å; L88-W220 HydrophobicContact CB-CH2 3.95Å; L88-W220 HydrophobicContact CB-CZ2 4.41Å; L88-W220 HydrophobicContact CD1-CH2 4.38Å; L88-W220 HydrophobicContact CD1-CZ2 3.99Å
89	T	98.3	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-72.6	-31.6	-177.5	52.5	0	0	0	0	112.5	M67 R84 N86 D87 S93	M67-T89 HydrophobicContact CE-CG2 4.13Å; R84-T89 WeakPolarHBondContact O-CG2 3.18Å; R84-T89 PolarHBondContact O-OG1 3.31Å; N86-T89 VanDerWaalsContact CG-OG1 3.28Å; N86-T89 PolarHBondContact N-OG1 2.88Å; N86-T89 VanDerWaalsContact N-OG1 3.07Å; N86-T89 PolarHBondContact O-N 3.35Å; N86-T89 PolarHBondContact O-OG1 2.84Å; N86-T89 VanDerWaalsContact O-OG1 3.08Å; N86-T89 WeakPolarHBondContact OD1-CB 3.4Å; N86-T89 WeakPolarHBondContact OD1-CG2 3.41Å; N86-T89 PolarHBondContact OD1-N 3.19Å; N86-T89 PolarHBondContact OD1-OG1 2.99Å; D87-T89 PolarHBondContact O-N 2.84Å; T89-S93 VanDerWaalsContact O-CB 3.3Å; T89-S93 WeakPolarHBondContact O-CB 3.48Å; T89-S93 PolarHBondContact O-N 3.14Å; T89-S93 PolarHBondContact O-OG 3.45Å
90	V	98.5	Very high	98.1	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.012	4%	0.035	C	C	.	.	H	α-helix	trans	-68.3	-45.7	171.2	167.9	0	0	0	0	110.4	I85 N86 D87 Q92 S93 S94 L132 T136 Y186	I85-V90 HydrophobicContact CG2-CG2 4.24Å; N86-V90 WeakPolarHBondContact O-CB 3.41Å; N86-V90 WeakPolarHBondContact O-CG2 3.46Å; N86-V90 PolarHBondContact O-N 3.16Å; D87-V90 PolarHBondContact O-N 2.97Å; V90-Q92 PolarHBondContact O-N 2.93Å; V90-S93 WeakPolarHBondContact O-CA 3.41Å; V90-S93 WeakPolarHBondContact O-CB 3.36Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-S93 VanDerWaalsContact O-N 3.08Å; V90-S94 PolarHBondContact O-N 3.03Å; V90-S94 PolarHBondContact O-OG 3.36Å; V90-S94 VanDerWaalsContact O-OG 3.11Å; V90-L132 HydrophobicContact CB-CD2 4.19Å; V90-L132 HydrophobicContact CG1-CB 4.35Å; V90-L132 HydrophobicContact CG2-CB 4.29Å; V90-L132 HydrophobicContact CG2-CD1 4.28Å; V90-L132 HydrophobicContact CG2-CD2 3.91Å; V90-L132 HydrophobicContact CG2-CG 4.37Å; V90-T136 VanDerWaalsContact CG1-OG1 3.28Å; V90-T136 WeakPolarHBondContact CG1-OG1 3.4Å; V90-Y186 HydrophobicContact CG1-CD2 4.26Å; V90-Y186 HydrophobicContact CG1-CE2 4.11Å; V90-Y186 HydrophobicContact CG2-CD2 4.43Å
91	I	98.8	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-54	-53.7	172.7	-72	164.8	0	0	0	110.4	D87 L88 S93 S94 Q95 L135 V139 P214 C219 W220	D87-I91 WeakPolarHBondContact O-CB 3.37Å; D87-I91 WeakPolarHBondContact O-CD1 3.47Å; D87-I91 VanDerWaalsContact O-CG1 3.24Å; D87-I91 WeakPolarHBondContact O-CG1 3.23Å; D87-I91 PolarHBondContact O-N 3.14Å; L88-I91 PolarHBondContact O-N 3.19Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.07Å; I91-S94 PolarHBondContact O-N 2.85Å; I91-S94 VanDerWaalsContact O-N 3.17Å; I91-Q95 HydrophobicContact CG2-CG 4.35Å; I91-Q95 VanDerWaalsContact O-CG 3.29Å; I91-Q95 WeakPolarHBondContact O-CG 3.36Å; I91-Q95 PolarHBondContact O-N 3.08Å; I91-L135 HydrophobicContact CD1-CD2 4.39Å; I91-L135 HydrophobicContact CG1-CB 4.31Å; I91-V139 HydrophobicContact CB-CG2 4.2Å; I91-V139 HydrophobicContact CG1-CG2 4.08Å; I91-V139 HydrophobicContact CG2-CG2 3.89Å; I91-P214 HydrophobicContact CG2-CB 4.28Å; I91-C219 VanDerWaalsContact CD1-O 3.29Å; I91-C219 WeakPolarHBondContact CD1-O 3.38Å; I91-C219 WeakPolarHBondContact CG1-O 3.15Å; I91-C219 HydrophobicContact CG2-CB 4.06Å; I91-W220 HydrophobicContact CD1-CD2 3.5Å; I91-W220 HydrophobicContact CD1-CE3 3.75Å; I91-W220 HydrophobicContact CD1-CG 3.98Å; I91-W220 HydrophobicContact CD1-CH2 4.16Å; I91-W220 HydrophobicContact CD1-CZ2 3.91Å; I91-W220 HydrophobicContact CD1-CZ3 4.09Å
92	Q	98.6	Very high	98.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.1	-39.8	176.7	-73	170.9	-12.8	0	0	112.4	R66 L88 V90 Q95 G96 I208 L212	R66-Q92 VanDerWaalsContact CZ-OE1 3.32Å; L88-Q92 HydrophobicContact CD1-CG 4.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.45Å; L88-Q92 VanDerWaalsContact O-CG 3.25Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 2.88Å; V90-Q92 PolarHBondContact O-N 2.93Å; Q92-Q95 PolarHBondContact O-N 2.98Å; Q92-G96 PolarHBondContact O-N 3.12Å; Q92-I208 HydrophobicContact CB-CG2 4.34Å; Q92-L212 VanDerWaalsContact CG-O 3.32Å; Q92-L212 WeakPolarHBondContact CG-O 3.41Å; Q92-L212 PolarHBondContact NE2-O 3.2Å
93	S	98.6	Very high	98.1	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	8%	0.077	C	C	.	.	H	α-helix	trans	-66	-42.4	178	-59.6	0	0	0	0	112.4	L74 T89 V90 I91 L97	L74-S93 WeakPolarHBondContact CD1-OG 3.28Å; T89-S93 VanDerWaalsContact O-CB 3.3Å; T89-S93 WeakPolarHBondContact O-CB 3.48Å; T89-S93 PolarHBondContact O-N 3.14Å; T89-S93 PolarHBondContact O-OG 3.45Å; V90-S93 WeakPolarHBondContact O-CA 3.41Å; V90-S93 WeakPolarHBondContact O-CB 3.36Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-S93 VanDerWaalsContact O-N 3.08Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.07Å; S93-L97 WeakPolarHBondContact O-CB 3.36Å; S93-L97 PolarHBondContact O-N 3.3Å
94	S	98.8	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.9	-36.2	175.2	-54.8	0	0	0	0	112.4	V90 I91 L97 H98 T136 Y186	V90-S94 PolarHBondContact O-N 3.03Å; V90-S94 PolarHBondContact O-OG 3.36Å; V90-S94 VanDerWaalsContact O-OG 3.11Å; I91-S94 PolarHBondContact O-N 2.85Å; I91-S94 VanDerWaalsContact O-N 3.17Å; S94-L97 PolarHBondContact O-N 3.45Å; S94-H98 VanDerWaalsContact O-CB 3.31Å; S94-H98 WeakPolarHBondContact O-CB 3.27Å; S94-H98 PolarHBondContact O-N 3.43Å; S94-T136 WeakPolarHBondContact OG-CG2 3.32Å; S94-Y186 WeakPolarHBondContact CA-OH 3.48Å; S94-Y186 PolarHBondContact OG-OH 3.05Å
95	Q	98.8	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.8	-46.2	174.8	-71.4	-173.2	167	0	0	111.6	I91 Q92 A99 V139 Q211 E213 W215	I91-Q95 HydrophobicContact CG2-CG 4.35Å; I91-Q95 VanDerWaalsContact O-CG 3.29Å; I91-Q95 WeakPolarHBondContact O-CG 3.36Å; I91-Q95 PolarHBondContact O-N 3.08Å; Q92-Q95 PolarHBondContact O-N 2.98Å; Q95-A99 WeakPolarHBondContact O-CB 3.42Å; Q95-A99 PolarHBondContact O-N 2.97Å; Q95-V139 HydrophobicContact CG-CG1 3.77Å; Q95-Q211 HydrophobicContact CB-CB 4.04Å; Q95-Q211 PolarHBondContact NE2-O 2.73Å; Q95-E213 PolarHBondContact NE2-O 2.93Å; Q95-W215 HydrophobicContact CB-CD2 4.32Å; Q95-W215 HydrophobicContact CB-CE3 4.5Å; Q95-W215 HydrophobicContact CB-CH2 3.76Å; Q95-W215 HydrophobicContact CB-CZ2 3.53Å; Q95-W215 HydrophobicContact CB-CZ3 4.24Å; Q95-W215 HydrophobicContact CG-CD2 3.66Å; Q95-W215 HydrophobicContact CG-CE3 3.72Å; Q95-W215 HydrophobicContact CG-CG 4.36Å; Q95-W215 HydrophobicContact CG-CH2 3.86Å; Q95-W215 HydrophobicContact CG-CZ2 3.8Å; Q95-W215 HydrophobicContact CG-CZ3 3.81Å; Q95-W215 WeakPolarHBondContact O-CH2 3.2Å; Q95-W215 VanDerWaalsContact OE1-CG 3.29Å
96	G	98.5	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-41.1	175.4	0	0	0	0	0	113.1	Q92 A99 Y100 C207	Q92-G96 PolarHBondContact O-N 3.12Å; G96-A99 PolarHBondContact O-N 3.24Å; G96-Y100 PolarHBondContact O-N 2.9Å; G96-C207 WeakPolarHBondContact O-CB 3.47Å
97	L	98.8	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-49.4	174.2	178.6	59.2	0	0	0	111.4	S93 S94 A99 Y100 L101 M140 V172 Y186 V188 V204	S93-L97 WeakPolarHBondContact O-CB 3.36Å; S93-L97 PolarHBondContact O-N 3.3Å; S94-L97 PolarHBondContact O-N 3.45Å; L97-A99 PolarHBondContact O-N 2.95Å; L97-Y100 PolarHBondContact O-N 2.94Å; L97-L101 HydrophobicContact CD1-CD1 4.06Å; L97-L101 HydrophobicContact CD1-CG 4.06Å; L97-L101 HydrophobicContact CG-CD1 3.88Å; L97-L101 HydrophobicContact CG-CG 4.33Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 2.92Å; L97-M140 HydrophobicContact CB-CE 4.3Å; L97-M140 HydrophobicContact CD2-CE 4.03Å; L97-M140 HydrophobicContact CG-CE 4.1Å; L97-V172 HydrophobicContact CD2-CG2 3.66Å; L97-Y186 HydrophobicContact CD2-CE1 4.34Å; L97-V188 HydrophobicContact CD1-CG1 3.93Å; L97-V188 HydrophobicContact CD2-CG1 4.11Å; L97-V188 HydrophobicContact CD2-CG2 4.48Å; L97-V204 HydrophobicContact CB-CG1 4.4Å; L97-V204 HydrophobicContact CD1-CG2 3.97Å
98	H	98.7	Very high	98.1	Very high	21 Å²	21	25.6 Å²	25.6	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-55.2	-51.7	175.1	169	-78	0	0	0	111.6	S94 Y100 L101 C102 M140 R143 W215	S94-H98 VanDerWaalsContact O-CB 3.31Å; S94-H98 WeakPolarHBondContact O-CB 3.27Å; S94-H98 PolarHBondContact O-N 3.43Å; H98-Y100 PolarHBondContact O-N 2.83Å; H98-L101 PolarHBondContact O-N 3.27Å; H98-L101 VanDerWaalsContact O-N 3.08Å; H98-C102 PolarHBondContact CE1-SG 3.46Å; H98-C102 PolarHBondContact O-N 3.27Å; H98-C102 PolarHBondContact O-SG 2.93Å; H98-C102 VanDerWaalsContact O-SG 3.37Å; H98-M140 HydrophobicContact CB-CE 4.13Å; H98-M140 HydrophobicContact CB-SD 3.92Å; H98-R143 WeakPolarHBondContact NE2-CB 3.36Å; H98-W215 HydrophobicContact CB-CH2 3.94Å; H98-W215 HydrophobicContact CB-CZ3 4.48Å; H98-W215 AromaticContact CG-CH2 3.76Å; H98-W215 AromaticContact ND1-CH2 3.42Å; H98-W215 WeakPolarHBondContact ND1-CH2 3.38Å
99	A	98.6	Very high	98	Very high	16 Å²	16	28 Å²	28	13%	0.132	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-32.4	-179.5	0	0	0	0	0	112.8	Q95 G96 L97 R103 C207 Q211	Q95-A99 WeakPolarHBondContact O-CB 3.42Å; Q95-A99 PolarHBondContact O-N 2.97Å; G96-A99 PolarHBondContact O-N 3.24Å; L97-A99 PolarHBondContact O-N 2.95Å; A99-R103 WeakPolarHBondContact O-CG 3.5Å; A99-C207 HydrophobicContact CB-CB 4.23Å; A99-Q211 HydrophobicContact CB-CG 4.13Å
100	Y	98.6	Very high	97.8	Very high	20 Å²	20	32 Å²	32	8%	0.078	20%	0.203	C	C	.	.	H	α-helix	trans	-74.4	-43.6	171.8	-172.6	-124	0	0	0	112.8	G96 L97 H98 C102 R103 C104 W190 H200 E203 V204	G96-Y100 PolarHBondContact O-N 2.9Å; L97-Y100 PolarHBondContact O-N 2.94Å; H98-Y100 PolarHBondContact O-N 2.83Å; Y100-C102 VanDerWaalsContact C-N 3.32Å; Y100-C102 PolarHBondContact O-N 3.02Å; Y100-R103 WeakPolarHBondContact O-CA 3.28Å; Y100-R103 WeakPolarHBondContact O-CB 3.43Å; Y100-R103 PolarHBondContact O-N 3.42Å; Y100-C104 VanDerWaalsContact CZ-SG 3.56Å; Y100-C104 PolarHBondContact O-N 3.26Å; Y100-W190 AromaticContact CD1-CH2 3.92Å; Y100-W190 HydrophobicContact CD1-CH2 3.92Å; Y100-W190 HydrophobicContact CD1-CZ3 4.09Å; Y100-W190 AromaticContact CE1-CH2 3.6Å; Y100-W190 HydrophobicContact CE1-CH2 3.6Å; Y100-W190 HydrophobicContact CE1-CZ2 4.44Å; Y100-W190 AromaticContact CE1-CZ3 3.98Å; Y100-W190 HydrophobicContact CE1-CZ3 3.98Å; Y100-H200 HydrophobicContact CE1-CB 4.02Å; Y100-H200 AromaticContact CE1-ND1 3.48Å; Y100-H200 WeakPolarHBondContact CE1-ND1 3.19Å; Y100-H200 AromaticContact CZ-ND1 3.59Å; Y100-H200 PolarHBondContact OH-ND1 3.41Å; Y100-E203 HydrophobicContact CD2-CB 3.65Å; Y100-E203 HydrophobicContact CE1-CB 4.21Å; Y100-E203 HydrophobicContact CE2-CB 3.25Å; Y100-E203 HydrophobicContact CE2-CG 3.82Å; Y100-E203 HydrophobicContact CG-CB 4.29Å; Y100-V204 HydrophobicContact CD1-CG2 3.55Å; Y100-V204 HydrophobicContact CE1-CG2 4.3Å; Y100-V204 HydrophobicContact CG-CG2 4.1Å
101	L	98.5	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-40.5	178	-70.1	171.7	0	0	0	112	L97 H98 R103 C104 F105 L108 V113 A169 W190	L97-L101 HydrophobicContact CD1-CD1 4.06Å; L97-L101 HydrophobicContact CD1-CG 4.06Å; L97-L101 HydrophobicContact CG-CD1 3.88Å; L97-L101 HydrophobicContact CG-CG 4.33Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 2.92Å; H98-L101 PolarHBondContact O-N 3.27Å; H98-L101 VanDerWaalsContact O-N 3.08Å; L101-R103 PolarHBondContact O-N 2.95Å; L101-C104 PolarHBondContact O-N 3.27Å; L101-F105 HydrophobicContact CD2-CD2 3.77Å; L101-F105 HydrophobicContact CD2-CE2 3.72Å; L101-F105 PolarHBondContact O-N 2.76Å; L101-L108 HydrophobicContact CB-CD1 4.04Å; L101-L108 HydrophobicContact CB-CD2 3.71Å; L101-L108 HydrophobicContact CB-CG 4.49Å; L101-L108 HydrophobicContact CD1-CD1 4.23Å; L101-V113 HydrophobicContact CD1-CG1 3.84Å; L101-A169 HydrophobicContact CD2-CB 4.48Å; L101-W190 HydrophobicContact CD2-CE3 4.34Å; L101-W190 HydrophobicContact CD2-CH2 3.78Å; L101-W190 HydrophobicContact CD2-CZ3 3.51Å
102	C	98	Very high	97.7	Very high	65 Å²	65	34.4 Å²	34.4	44%	0.439	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-29.6	173.4	-65	0	0	0	0	113.6	H98 Y100	H98-C102 PolarHBondContact CE1-SG 3.46Å; H98-C102 PolarHBondContact O-N 3.27Å; H98-C102 PolarHBondContact O-SG 2.93Å; H98-C102 VanDerWaalsContact O-SG 3.37Å; Y100-C102 VanDerWaalsContact C-N 3.32Å; Y100-C102 PolarHBondContact O-N 3.02Å
103	R	97.3	Very high	97.7	Very high	131 Å²	131	34.4 Å²	34.4	49%	0.494	21%	0.212	S	C	.	.	H	α-helix	trans	-76.4	-24.8	175.3	-66	169.7	-178.4	172.3	3.5	112.1	A99 Y100 L101 C207 E210	A99-R103 WeakPolarHBondContact O-CG 3.5Å; Y100-R103 WeakPolarHBondContact O-CA 3.28Å; Y100-R103 WeakPolarHBondContact O-CB 3.43Å; Y100-R103 PolarHBondContact O-N 3.42Å; L101-R103 PolarHBondContact O-N 2.95Å; R103-C207 PolarHBondContact NH1-SG 3.04Å; R103-E210 IonicContact CZ-OE2 3.86Å; R103-E210 IonicContact NH1-OE2 2.71Å; R103-E210 PolarHBondContact NH1-OE2 3.3Å; R103-E210 IonicContact NH2-OE2 3.67Å; R103-E210 PolarHBondContact NH2-OE2 2.84Å
104	C	97.8	Very high	97.8	Very high	54 Å²	54	34.2 Å²	34.2	37%	0.365	21%	0.211	S	C	.	.	H	α-helix	trans	-100	-28.9	-176.3	-67.2	0	0	0	0	114.6	Y100 L101 W190	Y100-C104 VanDerWaalsContact CZ-SG 3.56Å; Y100-C104 PolarHBondContact O-N 3.26Å; L101-C104 PolarHBondContact O-N 3.27Å; C104-W190 HydrophobicContact CB-CH2 4.05Å; C104-W190 HydrophobicContact CB-CZ2 4.02Å
105	F	97.4	Very high	97.8	Very high	28 Å²	28	34.2 Å²	34.2	12%	0.123	21%	0.211	C	C	.	.			trans	-133.2	103.4	-170.3	-60.3	-63.9	0	0	0	110.7	L101 D107 L108 A169 W190 C191	L101-F105 HydrophobicContact CD2-CD2 3.77Å; L101-F105 HydrophobicContact CD2-CE2 3.72Å; L101-F105 PolarHBondContact O-N 2.76Å; F105-D107 PolarHBondContact O-N 2.76Å; F105-L108 HydrophobicContact CB-CB 4.27Å; F105-L108 WeakPolarHBondContact O-CB 3.41Å; F105-L108 PolarHBondContact O-N 3.34Å; F105-A169 HydrophobicContact CD2-CB 3.85Å; F105-A169 HydrophobicContact CE2-CB 4.14Å; F105-A169 HydrophobicContact CG-CB 4.29Å; F105-W190 AromaticContact CE2-CE2 3.92Å; F105-W190 AromaticContact CE2-CH2 3.64Å; F105-W190 HydrophobicContact CE2-CH2 3.64Å; F105-W190 AromaticContact CE2-CZ2 3.42Å; F105-W190 HydrophobicContact CE2-CZ2 3.42Å; F105-W190 VanDerWaalsContact CE2-CZ2 3.42Å; F105-W190 HydrophobicContact CE2-CZ3 4.29Å; F105-W190 AromaticContact CZ-CE2 3.75Å; F105-W190 HydrophobicContact CZ-CH2 4.26Å; F105-W190 AromaticContact CZ-CZ2 3.56Å; F105-W190 HydrophobicContact CZ-CZ2 3.56Å; F105-W190 AromaticContact CZ-NE1 3.96Å; F105-C191 HydrophobicContact CZ-CB 4.23Å
106	A	95.8	Very high	97.8	Very high	117 Å²	117	34.2 Å²	34.2	97%	0.967	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.7	174.2	0	0	0	0	0	112.5
107	D	96.3	Very high	97.8	Very high	73 Å²	73	34.6 Å²	34.6	39%	0.39	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	16.4	179.4	62.3	-15.7	0	0	0	113.4	F105 G109 S110 R111	F105-D107 PolarHBondContact O-N 2.76Å; D107-G109 PolarHBondContact O-N 2.94Å; D107-G109 VanDerWaalsContact O-N 3.16Å; D107-S110 PolarHBondContact O-N 3.31Å; D107-S110 PolarHBondContact O-OG 2.83Å; D107-R111 VanDerWaalsContact CG-CD 3.41Å; D107-R111 PolarHBondContact O-N 3.47Å; D107-R111 WeakPolarHBondContact OD2-CD 3.45Å
108	L	97.6	Very high	97.7	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-53.2	-38.1	178.5	-179.5	62	0	0	0	112.8	L101 F105 S110 R111 G112 V145 A169	L101-L108 HydrophobicContact CB-CD1 4.04Å; L101-L108 HydrophobicContact CB-CD2 3.71Å; L101-L108 HydrophobicContact CB-CG 4.49Å; L101-L108 HydrophobicContact CD1-CD1 4.23Å; F105-L108 HydrophobicContact CB-CB 4.27Å; F105-L108 WeakPolarHBondContact O-CB 3.41Å; F105-L108 PolarHBondContact O-N 3.34Å; L108-S110 PolarHBondContact O-N 3.33Å; L108-R111 PolarHBondContact O-N 3.43Å; L108-G112 PolarHBondContact O-N 2.88Å; L108-V145 HydrophobicContact CD1-CG1 4.06Å; L108-V145 HydrophobicContact CD2-CG2 3.93Å; L108-V145 HydrophobicContact CG-CG1 4.01Å; L108-V145 HydrophobicContact CG-CG2 4.02Å; L108-A169 HydrophobicContact CD1-CB 3.62Å
109	G	95.3	Very high	97.5	Very high	50 Å²	50	34 Å²	34	52%	0.515	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-11.9	179.5	0	0	0	0	0	115.4	D107 P146	D107-G109 PolarHBondContact O-N 2.94Å; D107-G109 VanDerWaalsContact O-N 3.16Å; G109-P146 VanDerWaalsContact O-CD 3.26Å; G109-P146 WeakPolarHBondContact O-CD 3.13Å; G109-P146 WeakPolarHBondContact O-CG 3.38Å
110	S	95.9	Very high	97.3	Very high	85 Å²	85	33.2 Å²	33.2	59%	0.594	20%	0.204	S	C	*	.	H	α-helix	trans	-105.8	-32.1	170.2	62.7	0	0	0	0	112.6	D107 L108	D107-S110 PolarHBondContact O-N 3.31Å; D107-S110 PolarHBondContact O-OG 2.83Å; L108-S110 PolarHBondContact O-N 3.33Å
111	R	96.9	Very high	97	Very high	52 Å²	52	32.8 Å²	32.8	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-80.9	-35.6	-178	-66.6	-175.8	61.7	-169.7	2.5	114	D107 L108 G167 A168 A169 C191	D107-R111 VanDerWaalsContact CG-CD 3.41Å; D107-R111 PolarHBondContact O-N 3.47Å; D107-R111 WeakPolarHBondContact OD2-CD 3.45Å; L108-R111 PolarHBondContact O-N 3.43Å; R111-G167 PolarHBondContact NE-O 3.29Å; R111-G167 PolarHBondContact NH2-O 3.18Å; R111-A168 PolarHBondContact NH2-O 3Å; R111-A168 WeakPolarHBondContact O-CA 3.25Å; R111-A169 HydrophobicContact CB-CB 4.25Å; R111-C191 VanDerWaalsContact NH2-CB 3.3Å
112	G	98.1	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.212	C	C	.	.			trans	62	-165.3	-178.8	0	0	0	0	0	115.3	L108 P146 A169	L108-G112 PolarHBondContact O-N 2.88Å; G112-P146 CarbonylContact C-O 3.59Å; G112-P146 WeakPolarHBondContact CA-O 3.46Å; G112-A169 WeakPolarHBondContact O-CB 3.41Å; G112-A169 PolarHBondContact O-N 3.07Å
113	V	98.8	Very high	96.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	177.7	-61.9	0	0	0	0	112.2	L101 I115 M140 P146 V147 Y148 S170	L101-V113 HydrophobicContact CD1-CG1 3.84Å; V113-I115 HydrophobicContact CG2-CD1 4.33Å; V113-I115 HydrophobicContact CG2-CG1 4.33Å; V113-M140 HydrophobicContact CG1-SD 4.44Å; V113-M140 HydrophobicContact CG2-CB 4.26Å; V113-M140 HydrophobicContact CG2-CG 3.86Å; V113-M140 HydrophobicContact CG2-SD 4.24Å; V113-P146 PolarHBondContact N-O 3.29Å; V113-V147 HydrophobicContact CG2-CG2 4.12Å; V113-V147 WeakPolarHBondContact O-CA 3.48Å; V113-Y148 PolarHBondContact O-N 3.4Å; V113-S170 VanDerWaalsContact CA-O 3.29Å; V113-S170 WeakPolarHBondContact CA-O 3.49Å
114	V	98.9	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.8	172	179.6	0	0	0	0	109.9	Y148 F150 V159 A162 V163 L166 A168 S170 G171 V172	V114-Y148 WeakPolarHBondContact CA-O 3.3Å; V114-Y148 HydrophobicContact CG2-CD2 4.26Å; V114-F150 HydrophobicContact CG1-CD2 4.4Å; V114-F150 HydrophobicContact CG1-CE2 3.71Å; V114-V159 HydrophobicContact CG1-CG1 4.21Å; V114-A162 HydrophobicContact CG1-CB 3.94Å; V114-A162 HydrophobicContact CG2-CB 4.15Å; V114-V163 HydrophobicContact CB-CG2 3.88Å; V114-V163 HydrophobicContact CG2-CG2 3.79Å; V114-L166 HydrophobicContact CG2-CD1 4.32Å; V114-A168 HydrophobicContact CG2-CB 3.82Å; V114-S170 PolarHBondContact N-O 3.42Å; V114-G171 CarbonylContact O-C 3.6Å; V114-G171 VanDerWaalsContact O-CA 3.25Å; V114-G171 WeakPolarHBondContact O-CA 3.37Å; V114-V172 PolarHBondContact O-N 2.89Å
115	I	98.9	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121	176.7	-55.3	175.1	0	0	0	109.9	V113 A133 T136 A137 V147 Y148 L149 F150 V172	V113-I115 HydrophobicContact CG2-CD1 4.33Å; V113-I115 HydrophobicContact CG2-CG1 4.33Å; I115-A133 HydrophobicContact CG2-CB 3.86Å; I115-T136 HydrophobicContact CD1-CG2 3.57Å; I115-T136 HydrophobicContact CG1-CG2 4.14Å; I115-T136 HydrophobicContact CG2-CG2 4.33Å; I115-A137 VanDerWaalsContact CD1-CA 3.49Å; I115-A137 HydrophobicContact CD1-CB 3.79Å; I115-V147 HydrophobicContact CD1-CG1 3.65Å; I115-V147 HydrophobicContact CG1-CG1 4.17Å; I115-Y148 PolarHBondContact N-O 3.16Å; I115-L149 HydrophobicContact CB-CD1 3.91Å; I115-L149 HydrophobicContact CG2-CD1 3.78Å; I115-F150 WeakPolarHBondContact O-CD2 3.4Å; I115-F150 PolarHBondContact O-N 2.84Å; I115-F150 VanDerWaalsContact O-N 3.13Å; I115-V172 WeakPolarHBondContact CA-O 3.41Å; I115-V172 HydrophobicContact CG1-CB 4.49Å
116	G	98.7	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	168.4	173	0	0	0	0	0	112	V172 M173 I174	G116-V172 PolarHBondContact N-O 3.2Å; G116-M173 WeakPolarHBondContact O-CA 3.35Å; G116-I174 PolarHBondContact O-N 2.92Å
117	Y	98.5	Very high	95.7	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	155.5	-177	55	-84.3	0	0	0	112.5	Q130 A133 L149 F150 S151 F153 V154 M173 I174	Y117-Q130 HydrophobicContact CD2-CB 3.91Å; Y117-Q130 HydrophobicContact CD2-CG 4.46Å; Y117-Q130 HydrophobicContact CE2-CB 3.61Å; Y117-Q130 HydrophobicContact CE2-CG 3.73Å; Y117-A133 HydrophobicContact CD1-CB 3.45Å; Y117-A133 VanDerWaalsContact CD1-CB 3.45Å; Y117-A133 HydrophobicContact CE1-CB 4.2Å; Y117-A133 HydrophobicContact CG-CB 3.88Å; Y117-L149 HydrophobicContact CD1-CD1 4.41Å; Y117-L149 HydrophobicContact CE1-CD1 4.17Å; Y117-F150 VanDerWaalsContact CE1-O 3.31Å; Y117-F150 WeakPolarHBondContact CE1-O 3.45Å; Y117-F150 PolarHBondContact OH-O 2.94Å; Y117-S151 PolarHBondContact OH-O 3.4Å; Y117-F153 AromaticContact CD2-CD1 3.6Å; Y117-F153 HydrophobicContact CD2-CD1 3.6Å; Y117-F153 HydrophobicContact CD2-CE1 4.05Å; Y117-F153 AromaticContact CE2-CD1 3.48Å; Y117-F153 HydrophobicContact CE2-CD1 3.48Å; Y117-F153 VanDerWaalsContact CE2-CD1 3.48Å; Y117-F153 AromaticContact CE2-CE1 3.75Å; Y117-F153 HydrophobicContact CE2-CE1 3.75Å; Y117-F153 HydrophobicContact CE2-CG 4.42Å; Y117-F153 WeakPolarHBondContact O-CA 3.28Å; Y117-V154 PolarHBondContact O-N 3.01Å; Y117-M173 VanDerWaalsContact C-CE 3.5Å; Y117-M173 PolarHBondContact N-SD 3.1Å; Y117-M173 VanDerWaalsContact N-SD 3.42Å; Y117-I174 WeakPolarHBondContact CA-O 3.4Å
118	D	96.6	Very high	95.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.			trans	-94.4	-171.8	172.6	76.8	-2	0	0	0	112.9	R120 S129 F153 M173 I174 T175 V271 D337	D118-R120 WeakPolarHBondContact OD1-CG 3.31Å; D118-R120 PolarHBondContact OD1-N 3.03Å; D118-R120 IonicContact OD1-NE 3.96Å; D118-R120 PolarHBondContact OD1-NE 2.9Å; D118-R120 IonicContact OD2-CZ 2.7Å; D118-R120 VanDerWaalsContact OD2-CZ 3.23Å; D118-R120 IonicContact OD2-NE 2.93Å; D118-R120 PolarHBondContact OD2-NE 2.78Å; D118-R120 IonicContact OD2-NH2 2.75Å; D118-R120 PolarHBondContact OD2-NH2 2.87Å; D118-S129 VanDerWaalsContact O-CB 3.26Å; D118-S129 WeakPolarHBondContact O-CB 3.24Å; D118-S129 VanDerWaalsContact OD1-CB 3.31Å; D118-S129 WeakPolarHBondContact OD1-CB 3.44Å; D118-S129 PolarHBondContact OD1-OG 3.44Å; D118-F153 WeakPolarHBondContact O-CD1 3.1Å; D118-M173 HydrophobicContact CB-CE 4.27Å; D118-I174 PolarHBondContact N-O 3.48Å; D118-T175 VanDerWaalsContact OD2-CB 3.25Å; D118-T175 WeakPolarHBondContact OD2-CB 3.23Å; D118-T175 PolarHBondContact OD2-OG1 3.28Å; D118-V271 HydrophobicContact CB-CG1 4.41Å; D118-D337 HydrophobicContact CB-CB 4.28Å
119	T	94.7	Very high	95.8	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.049	17%	0.168	C	C	.	.	S	Bend	trans	-81.2	-14.2	-169.4	61.4	0	0	0	0	115	F153 H269 V271 P297 P299	T119-F153 HydrophobicContact CG2-CB 4.26Å; T119-F153 HydrophobicContact CG2-CD1 4.28Å; T119-F153 HydrophobicContact CG2-CD2 4.11Å; T119-F153 HydrophobicContact CG2-CG 3.96Å; T119-H269 PolarHBondContact OG1-O 2.87Å; T119-V271 HydrophobicContact CG2-CG1 3.89Å; T119-P297 HydrophobicContact CG2-CB 3.66Å; T119-P297 HydrophobicContact CG2-CG 4.16Å; T119-P299 WeakPolarHBondContact O-CA 3.43Å; T119-P299 WeakPolarHBondContact O-CB 3.33Å
120	R	94.5	Very high	95.9	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.162	C	C	.	.			trans	-76	156.9	-160.6	80.8	-173.3	67.4	-132.6	-11.5	115.1	M78 D118 S128 S129 S177 N179 P180 D183 F301	M78-R120 HydrophobicContact CE-CG 4.42Å; D118-R120 WeakPolarHBondContact OD1-CG 3.31Å; D118-R120 PolarHBondContact OD1-N 3.03Å; D118-R120 IonicContact OD1-NE 3.96Å; D118-R120 PolarHBondContact OD1-NE 2.9Å; D118-R120 IonicContact OD2-CZ 2.7Å; D118-R120 VanDerWaalsContact OD2-CZ 3.23Å; D118-R120 IonicContact OD2-NE 2.93Å; D118-R120 PolarHBondContact OD2-NE 2.78Å; D118-R120 IonicContact OD2-NH2 2.75Å; D118-R120 PolarHBondContact OD2-NH2 2.87Å; R120-S128 WeakPolarHBondContact O-CA 3.39Å; R120-S129 WeakPolarHBondContact CG-OG 3.36Å; R120-S129 PolarHBondContact O-N 3.28Å; R120-S177 PolarHBondContact NH2-O 2.87Å; R120-N179 PolarHBondContact NH1-O 2.67Å; R120-P180 PolarHBondContact NH1-O 2.84Å; R120-D183 WeakPolarHBondContact CD-O 3.18Å; R120-D183 PolarHBondContact NH1-O 2.88Å; R120-F301 HydrophobicContact CB-CE2 4.42Å; R120-F301 HydrophobicContact CB-CZ 3.85Å
121	G	92.8	Very high	95.9	Very high	10 Å²	10	29 Å²	29	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	166.6	171.3	0	0	0	0	0	113.1	C127	G121-C127 CarbonylContact C-O 3.41Å; G121-C127 VanDerWaalsContact CA-O 3.28Å; G121-C127 WeakPolarHBondContact CA-O 3.4Å
122	Q	92.4	Very high	96	Very high	32 Å²	32	26.5 Å²	26.5	15%	0.15	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.7	-178.4	178.5	-169.1	70.9	0	0	109.7	M78 E124 S125 G126 C127	M78-Q122 VanDerWaalsContact C-OE1 3.31Å; M78-Q122 HydrophobicContact CB-CB 4.28Å; M78-Q122 VanDerWaalsContact CB-OE1 3.26Å; M78-Q122 HydrophobicContact CE-CB 3.71Å; M78-Q122 PolarHBondContact O-OE1 2.75Å; M78-Q122 HydrophobicContact SD-CB 4.17Å; Q122-E124 HydrophobicContact CG-CB 4.45Å; Q122-E124 WeakPolarHBondContact CG-OE2 3.32Å; Q122-S125 PolarHBondContact O-OG 2.91Å; Q122-S125 PolarHBondContact OE1-OG 2.76Å; Q122-G126 PolarHBondContact O-N 2.88Å; Q122-C127 PolarHBondContact N-O 3.39Å; Q122-C127 PolarHBondContact O-N 2.87Å
123	E	91.5	Very high	96	Very high	160 Å²	160	26.5 Å²	26.5	75%	0.748	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-69.1	-40.1	-176.5	-170.4	175.3	170.4	0	0	111.8	S125 G126	E123-S125 PolarHBondContact O-N 2.9Å; E123-S125 VanDerWaalsContact O-N 3.16Å; E123-G126 PolarHBondContact O-N 2.92Å
124	E	91.9	Very high	96	Very high	127 Å²	127	28.7 Å²	28.7	59%	0.593	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-66.1	-21.7	-173.4	-60	87.5	164.5	0	0	114.2	Q46 Q122	Q46-E124 PolarHBondContact NE2-O 2.87Å; Q122-E124 HydrophobicContact CG-CB 4.45Å; Q122-E124 WeakPolarHBondContact CG-OE2 3.32Å
125	S	93.1	Very high	96	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-105.1	-11.1	172.3	57.9	0	0	0	0	113.3	N40 Q122 E123 C127	N40-S125 PolarHBondContact ND2-O 2.88Å; Q122-S125 PolarHBondContact O-OG 2.91Å; Q122-S125 PolarHBondContact OE1-OG 2.76Å; E123-S125 PolarHBondContact O-N 2.9Å; E123-S125 VanDerWaalsContact O-N 3.16Å; S125-C127 PolarHBondContact O-N 2.74Å; S125-C127 WeakPolarHBondContact OG-CB 3.46Å; S125-C127 PolarHBondContact OG-N 3.11Å
126	G	93.8	Very high	96	Very high	26 Å²	26	28.7 Å²	28.7	27%	0.268	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	11.3	-168	0	0	0	0	0	114.2	Q122 E123 R131	Q122-G126 PolarHBondContact O-N 2.88Å; E123-G126 PolarHBondContact O-N 2.92Å; G126-R131 WeakPolarHBondContact O-CD 3.42Å
127	C	95.5	Very high	96	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.1	-178	-62.7	0	0	0	0	111.5	M78 D87 G121 Q122 S125 L132	M78-C127 HydrophobicContact CG-CB 4.5Å; M78-C127 HydrophobicContact SD-CB 3.94Å; D87-C127 PolarHBondContact OD1-SG 3.45Å; G121-C127 CarbonylContact C-O 3.41Å; G121-C127 VanDerWaalsContact CA-O 3.28Å; G121-C127 WeakPolarHBondContact CA-O 3.4Å; Q122-C127 PolarHBondContact N-O 3.39Å; Q122-C127 PolarHBondContact O-N 2.87Å; S125-C127 PolarHBondContact O-N 2.74Å; S125-C127 WeakPolarHBondContact OG-CB 3.46Å; S125-C127 PolarHBondContact OG-N 3.11Å; C127-L132 HydrophobicContact CB-CD1 4.5Å
128	S	96.7	Very high	96	Very high	38 Å²	38	28.4 Å²	28.4	27%	0.266	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.4	168.5	70.2	0	0	0	0	109.8	R120 Q130 R131 L132	R120-S128 WeakPolarHBondContact O-CA 3.39Å; S128-Q130 PolarHBondContact O-N 2.84Å; S128-R131 WeakPolarHBondContact O-CB 3.35Å; S128-R131 PolarHBondContact O-N 2.56Å; S128-R131 VanDerWaalsContact O-N 3.09Å; S128-R131 WeakPolarHBondContact OG-CB 3.23Å; S128-R131 PolarHBondContact OG-N 3.41Å; S128-R131 VanDerWaalsContact OG-N 3.15Å; S128-L132 WeakPolarHBondContact O-CG 3.42Å; S128-L132 PolarHBondContact O-N 3.45Å
129	S	97.5	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-34.8	178.6	-66.2	0	0	0	0	112.1	D118 R120 A133 N184	D118-S129 VanDerWaalsContact O-CB 3.26Å; D118-S129 WeakPolarHBondContact O-CB 3.24Å; D118-S129 VanDerWaalsContact OD1-CB 3.31Å; D118-S129 WeakPolarHBondContact OD1-CB 3.44Å; D118-S129 PolarHBondContact OD1-OG 3.44Å; R120-S129 WeakPolarHBondContact CG-OG 3.36Å; R120-S129 PolarHBondContact O-N 3.28Å; S129-A133 VanDerWaalsContact O-CB 3.27Å; S129-A133 WeakPolarHBondContact O-CB 3.38Å; S129-A133 PolarHBondContact O-N 3.04Å; S129-N184 PolarHBondContact OG-ND2 2.86Å; S129-N184 PolarHBondContact OG-OD1 2.75Å
130	Q	97.3	Very high	96.3	Very high	84 Å²	84	28 Å²	28	39%	0.393	14%	0.142	S	C	.	.	H	α-helix	trans	-63.1	-48	172.7	-173.3	179.3	47.7	0	0	112.6	Y117 S128 L132 A133 K134	Y117-Q130 HydrophobicContact CD2-CB 3.91Å; Y117-Q130 HydrophobicContact CD2-CG 4.46Å; Y117-Q130 HydrophobicContact CE2-CB 3.61Å; Y117-Q130 HydrophobicContact CE2-CG 3.73Å; S128-Q130 PolarHBondContact O-N 2.84Å; Q130-L132 PolarHBondContact O-N 3.26Å; Q130-A133 PolarHBondContact O-N 2.98Å; Q130-K134 PolarHBondContact O-N 2.84Å
131	R	97.3	Very high	96.5	Very high	61 Å²	61	28.3 Å²	28.3	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-57.6	-49.3	176.4	173.1	177.2	-168.1	70.4	21.9	111.1	D87 G126 S128 A133 K134 L135 E222	D87-R131 IonicContact OD1-NE 2.72Å; D87-R131 PolarHBondContact OD1-NE 2.94Å; D87-R131 IonicContact OD2-CZ 3.19Å; D87-R131 IonicContact OD2-NE 2.67Å; D87-R131 PolarHBondContact OD2-NE 3.3Å; D87-R131 IonicContact OD2-NH2 2.69Å; D87-R131 PolarHBondContact OD2-NH2 3.08Å; G126-R131 WeakPolarHBondContact O-CD 3.42Å; S128-R131 WeakPolarHBondContact O-CB 3.35Å; S128-R131 PolarHBondContact O-N 2.56Å; S128-R131 VanDerWaalsContact O-N 3.09Å; S128-R131 WeakPolarHBondContact OG-CB 3.23Å; S128-R131 PolarHBondContact OG-N 3.41Å; S128-R131 VanDerWaalsContact OG-N 3.15Å; R131-A133 VanDerWaalsContact C-N 3.33Å; R131-A133 PolarHBondContact O-N 2.9Å; R131-K134 PolarHBondContact O-N 3.34Å; R131-L135 HydrophobicContact CG-CD1 4.33Å; R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.28Å; R131-E222 IonicContact CZ-OE1 3.23Å; R131-E222 IonicContact CZ-OE2 2.83Å; R131-E222 IonicContact NH1-OE1 3.88Å; R131-E222 PolarHBondContact NH1-OE1 2.91Å; R131-E222 IonicContact NH1-OE2 2.91Å; R131-E222 PolarHBondContact NH1-OE2 3.44Å; R131-E222 IonicContact NH2-OE1 3.59Å; R131-E222 PolarHBondContact NH2-OE1 3.14Å
132	L	98.5	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-34.2	-178.7	-62.4	176.4	0	0	0	111.9	I85 V90 C127 S128 Q130 L135 T136 I174	I85-L132 HydrophobicContact CG2-CD1 3.5Å; I85-L132 VanDerWaalsContact CG2-CD1 3.5Å; V90-L132 HydrophobicContact CB-CD2 4.19Å; V90-L132 HydrophobicContact CG1-CB 4.35Å; V90-L132 HydrophobicContact CG2-CB 4.29Å; V90-L132 HydrophobicContact CG2-CD1 4.28Å; V90-L132 HydrophobicContact CG2-CD2 3.91Å; V90-L132 HydrophobicContact CG2-CG 4.37Å; C127-L132 HydrophobicContact CB-CD1 4.5Å; S128-L132 WeakPolarHBondContact O-CG 3.42Å; S128-L132 PolarHBondContact O-N 3.45Å; Q130-L132 PolarHBondContact O-N 3.26Å; L132-L135 PolarHBondContact O-N 2.8Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.33Å; L132-T136 PolarHBondContact O-OG1 3.45Å; L132-I174 HydrophobicContact CB-CG2 4.02Å; L132-I174 HydrophobicContact CD1-CG2 4.31Å
133	A	98.7	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-40.6	171.6	0	0	0	0	0	112.6	I115 Y117 S129 Q130 R131 T136 A137 L149 I174	I115-A133 HydrophobicContact CG2-CB 3.86Å; Y117-A133 HydrophobicContact CD1-CB 3.45Å; Y117-A133 VanDerWaalsContact CD1-CB 3.45Å; Y117-A133 HydrophobicContact CE1-CB 4.2Å; Y117-A133 HydrophobicContact CG-CB 3.88Å; S129-A133 VanDerWaalsContact O-CB 3.27Å; S129-A133 WeakPolarHBondContact O-CB 3.38Å; S129-A133 PolarHBondContact O-N 3.04Å; Q130-A133 PolarHBondContact O-N 2.98Å; R131-A133 VanDerWaalsContact C-N 3.33Å; R131-A133 PolarHBondContact O-N 2.9Å; A133-T136 WeakPolarHBondContact O-CB 3.26Å; A133-T136 PolarHBondContact O-N 3.2Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.28Å; A133-L149 HydrophobicContact CB-CD1 4.13Å; A133-I174 HydrophobicContact CB-CG1 4.03Å
134	K	98.5	Very high	97.2	Very high	47 Å²	47	31.4 Å²	31.4	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-42.4	172.4	-75.9	-161.4	163	-151	0	112	Q130 R131 A137 A138 E222 V225 D226	Q130-K134 PolarHBondContact O-N 2.84Å; R131-K134 PolarHBondContact O-N 3.34Å; K134-A137 WeakPolarHBondContact O-CB 3.34Å; K134-A137 PolarHBondContact O-N 2.99Å; K134-A138 WeakPolarHBondContact O-CB 3.26Å; K134-A138 PolarHBondContact O-N 3.16Å; K134-E222 HydrophobicContact CB-CB 4.23Å; K134-E222 HydrophobicContact CB-CG 4.1Å; K134-E222 HydrophobicContact CD-CB 4.12Å; K134-V225 HydrophobicContact CB-CG1 4.28Å; K134-V225 HydrophobicContact CD-CG2 3.96Å; K134-V225 HydrophobicContact CG-CG1 4.43Å; K134-V225 HydrophobicContact CG-CG2 4.08Å; K134-V225 WeakPolarHBondContact O-CG1 3.45Å; K134-D226 IonicContact NZ-OD1 2.66Å; K134-D226 IonicContact NZ-OD2 3.62Å; K134-D226 PolarHBondContact NZ-OD2 3.47Å
135	L	98.7	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-40.3	175.5	-67.4	174.8	0	0	0	112.6	D87 I91 R131 L132 A137 A138 V139 E222	D87-L135 HydrophobicContact CB-CD1 3.59Å; I91-L135 HydrophobicContact CD1-CD2 4.39Å; I91-L135 HydrophobicContact CG1-CB 4.31Å; R131-L135 HydrophobicContact CG-CD1 4.33Å; R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.28Å; L132-L135 PolarHBondContact O-N 2.8Å; L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 2.93Å; L135-A138 PolarHBondContact O-N 3.33Å; L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.43Å; L135-E222 HydrophobicContact CD2-CG 3.87Å; L135-E222 HydrophobicContact CG-CG 4.18Å
136	T	98.8	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.5	-44.7	172.4	-56.9	0	0	0	0	110.7	V90 S94 I115 L132 A133 M140 V172 Y186	V90-T136 VanDerWaalsContact CG1-OG1 3.28Å; V90-T136 WeakPolarHBondContact CG1-OG1 3.4Å; S94-T136 WeakPolarHBondContact OG-CG2 3.32Å; I115-T136 HydrophobicContact CD1-CG2 3.57Å; I115-T136 HydrophobicContact CG1-CG2 4.14Å; I115-T136 HydrophobicContact CG2-CG2 4.33Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.33Å; L132-T136 PolarHBondContact O-OG1 3.45Å; A133-T136 WeakPolarHBondContact O-CB 3.26Å; A133-T136 PolarHBondContact O-N 3.2Å; T136-M140 WeakPolarHBondContact O-CG 3.32Å; T136-M140 PolarHBondContact O-N 3.47Å; T136-V172 HydrophobicContact CG2-CB 4.2Å; T136-V172 HydrophobicContact CG2-CG1 4.05Å; T136-V172 HydrophobicContact CG2-CG2 4.18Å; T136-Y186 HydrophobicContact CG2-CE2 4Å
137	A	98.8	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-46.5	175.8	0	0	0	0	0	111.9	I115 A133 K134 L135 V139 M140 L141 V147 L149 V225	I115-A137 VanDerWaalsContact CD1-CA 3.49Å; I115-A137 HydrophobicContact CD1-CB 3.79Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.28Å; K134-A137 WeakPolarHBondContact O-CB 3.34Å; K134-A137 PolarHBondContact O-N 2.99Å; L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 2.93Å; A137-V139 VanDerWaalsContact C-N 3.31Å; A137-V139 PolarHBondContact O-N 2.88Å; A137-M140 PolarHBondContact O-N 3.03Å; A137-M140 VanDerWaalsContact O-N 3.09Å; A137-L141 HydrophobicContact CB-CD1 4.45Å; A137-L141 WeakPolarHBondContact O-CB 3.3Å; A137-L141 VanDerWaalsContact O-CG 3.25Å; A137-L141 WeakPolarHBondContact O-CG 3.49Å; A137-L141 PolarHBondContact O-N 3.08Å; A137-V147 HydrophobicContact CB-CG1 3.85Å; A137-L149 HydrophobicContact CB-CD2 4.04Å; A137-V225 HydrophobicContact CB-CG1 3.67Å
138	A	98.6	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-39.6	-179	0	0	0	0	0	112.5	K134 L135 S142 D221 L224	K134-A138 WeakPolarHBondContact O-CB 3.26Å; K134-A138 PolarHBondContact O-N 3.16Å; L135-A138 PolarHBondContact O-N 3.33Å; A138-S142 VanDerWaalsContact O-CB 3.28Å; A138-S142 WeakPolarHBondContact O-CB 3.35Å; A138-S142 PolarHBondContact O-N 2.85Å; A138-S142 PolarHBondContact O-OG 3.29Å; A138-D221 WeakPolarHBondContact CB-O 3.31Å; A138-L224 HydrophobicContact CB-CB 4.45Å; A138-L224 HydrophobicContact CB-CD2 4.33Å
139	V	98.7	Very high	98.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-46.8	173.3	171.9	0	0	0	0	111.9	I91 Q95 L135 A137 S142 W215 C219	I91-V139 HydrophobicContact CB-CG2 4.2Å; I91-V139 HydrophobicContact CG1-CG2 4.08Å; I91-V139 HydrophobicContact CG2-CG2 3.89Å; Q95-V139 HydrophobicContact CG-CG1 3.77Å; L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.43Å; A137-V139 VanDerWaalsContact C-N 3.31Å; A137-V139 PolarHBondContact O-N 2.88Å; V139-S142 PolarHBondContact O-N 2.66Å; V139-S142 PolarHBondContact O-OG 3.06Å; V139-W215 HydrophobicContact CG1-CE3 4.32Å; V139-W215 HydrophobicContact CG1-CZ3 3.86Å; V139-C219 HydrophobicContact CG2-CB 3.94Å
140	M	98.6	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-44.5	-179.2	-63.8	-73.3	178.1	0	0	111.7	L97 H98 V113 T136 A137 S142 R143 V145 V147	L97-M140 HydrophobicContact CB-CE 4.3Å; L97-M140 HydrophobicContact CD2-CE 4.03Å; L97-M140 HydrophobicContact CG-CE 4.1Å; H98-M140 HydrophobicContact CB-CE 4.13Å; H98-M140 HydrophobicContact CB-SD 3.92Å; V113-M140 HydrophobicContact CG1-SD 4.44Å; V113-M140 HydrophobicContact CG2-CB 4.26Å; V113-M140 HydrophobicContact CG2-CG 3.86Å; V113-M140 HydrophobicContact CG2-SD 4.24Å; T136-M140 WeakPolarHBondContact O-CG 3.32Å; T136-M140 PolarHBondContact O-N 3.47Å; A137-M140 PolarHBondContact O-N 3.03Å; A137-M140 VanDerWaalsContact O-N 3.09Å; M140-S142 VanDerWaalsContact C-N 3.29Å; M140-S142 PolarHBondContact O-N 3.09Å; M140-R143 CarbonylContact O-C 3.59Å; M140-R143 PolarHBondContact O-N 3.22Å; M140-R143 VanDerWaalsContact O-N 3.09Å; M140-V145 HydrophobicContact CB-CB 4.29Å; M140-V145 WeakPolarHBondContact O-CB 3.36Å; M140-V145 PolarHBondContact O-N 2.76Å; M140-V147 HydrophobicContact CB-CG2 3.65Å
141	L	98.4	Very high	98.2	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-32.9	176.4	-65.6	169.2	0	0	0	112.1	A137 R143 D144 V147 L224 V225 L230 R231	A137-L141 HydrophobicContact CB-CD1 4.45Å; A137-L141 WeakPolarHBondContact O-CB 3.3Å; A137-L141 VanDerWaalsContact O-CG 3.25Å; A137-L141 WeakPolarHBondContact O-CG 3.49Å; A137-L141 PolarHBondContact O-N 3.08Å; L141-R143 PolarHBondContact O-N 3.27Å; L141-R143 VanDerWaalsContact O-N 3.1Å; L141-D144 PolarHBondContact O-N 2.88Å; L141-V147 HydrophobicContact CD2-CB 4.03Å; L141-V147 HydrophobicContact CD2-CG2 3.79Å; L141-V147 HydrophobicContact CG-CB 4.31Å; L141-V147 HydrophobicContact CG-CG2 3.8Å; L141-L224 HydrophobicContact CB-CD2 3.99Å; L141-L224 HydrophobicContact CB-CG 4.2Å; L141-L224 HydrophobicContact CD1-CG 4.4Å; L141-V225 HydrophobicContact CD1-CB 4.39Å; L141-V225 HydrophobicContact CD1-CG1 4.23Å; L141-L230 HydrophobicContact CD2-CB 3.66Å; L141-R231 HydrophobicContact CD1-CB 4.35Å; L141-R231 HydrophobicContact CD2-CB 4.42Å
142	S	97.3	Very high	98.2	Very high	32 Å²	32	24.1 Å²	24.1	22%	0.224	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.5	175.1	77.6	0	0	0	0	114.5	A138 V139 M140	A138-S142 VanDerWaalsContact O-CB 3.28Å; A138-S142 WeakPolarHBondContact O-CB 3.35Å; A138-S142 PolarHBondContact O-N 2.85Å; A138-S142 PolarHBondContact O-OG 3.29Å; V139-S142 PolarHBondContact O-N 2.66Å; V139-S142 PolarHBondContact O-OG 3.06Å; M140-S142 VanDerWaalsContact C-N 3.29Å; M140-S142 PolarHBondContact O-N 3.09Å
143	R	97.1	Very high	98.1	Very high	112 Å²	112	27 Å²	27	42%	0.423	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	22.8	176.9	-60.8	-59.1	-167	-175.8	3	112.7	H98 M140 L141 V145 W215	H98-R143 WeakPolarHBondContact NE2-CB 3.36Å; M140-R143 CarbonylContact O-C 3.59Å; M140-R143 PolarHBondContact O-N 3.22Å; M140-R143 VanDerWaalsContact O-N 3.09Å; L141-R143 PolarHBondContact O-N 3.27Å; L141-R143 VanDerWaalsContact O-N 3.1Å; R143-V145 PolarHBondContact O-N 3.15Å; R143-V145 VanDerWaalsContact O-N 3.15Å; R143-W215 HydrophobicContact CG-CE3 3.9Å; R143-W215 HydrophobicContact CG-CH2 4.34Å; R143-W215 HydrophobicContact CG-CZ3 3.48Å; R143-W215 VanDerWaalsContact CG-CZ3 3.48Å; R143-W215 VanDerWaalsContact NH2-CD2 3.25Å
144	D	96.6	Very high	98	Very high	122 Å²	122	27 Å²	27	65%	0.652	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	25.1	178	-54.6	-61.3	0	0	0	114.5	L141 L230	L141-D144 PolarHBondContact O-N 2.88Å; D144-L230 HydrophobicContact CB-CD1 4.18Å
145	V	98.4	Very high	98	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	13%	0.13	C	C	.	.			trans	-87.7	126.9	173.9	179	0	0	0	0	109.5	L108 M140 R143	L108-V145 HydrophobicContact CD1-CG1 4.06Å; L108-V145 HydrophobicContact CD2-CG2 3.93Å; L108-V145 HydrophobicContact CG-CG1 4.01Å; L108-V145 HydrophobicContact CG-CG2 4.02Å; M140-V145 HydrophobicContact CB-CB 4.29Å; M140-V145 WeakPolarHBondContact O-CB 3.36Å; M140-V145 PolarHBondContact O-N 2.76Å; R143-V145 PolarHBondContact O-N 3.15Å; R143-V145 VanDerWaalsContact O-N 3.15Å
146	P	98.6	Very high	98	Very high	18 Å²	18	24.7 Å²	24.7	12%	0.117	13%	0.13	C	C	.	.			trans	-59.8	143.1	175	-22.6	31.9	0	0	0	112.7	G109 G112 V113 L230	G109-P146 VanDerWaalsContact O-CD 3.26Å; G109-P146 WeakPolarHBondContact O-CD 3.13Å; G109-P146 WeakPolarHBondContact O-CG 3.38Å; G112-P146 CarbonylContact C-O 3.59Å; G112-P146 WeakPolarHBondContact CA-O 3.46Å; V113-P146 PolarHBondContact N-O 3.29Å; P146-L230 WeakPolarHBondContact CA-O 3.49Å
147	V	98.9	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.5	-178.2	178.3	0	0	0	0	111.5	V113 I115 A137 M140 L141 L149 L230 R231 T232	V113-V147 HydrophobicContact CG2-CG2 4.12Å; V113-V147 WeakPolarHBondContact O-CA 3.48Å; I115-V147 HydrophobicContact CD1-CG1 3.65Å; I115-V147 HydrophobicContact CG1-CG1 4.17Å; A137-V147 HydrophobicContact CB-CG1 3.85Å; M140-V147 HydrophobicContact CB-CG2 3.65Å; L141-V147 HydrophobicContact CD2-CB 4.03Å; L141-V147 HydrophobicContact CD2-CG2 3.79Å; L141-V147 HydrophobicContact CG-CB 4.31Å; L141-V147 HydrophobicContact CG-CG2 3.8Å; V147-L149 HydrophobicContact CG1-CB 3.9Å; V147-L149 PolarHBondContact O-N 2.73Å; V147-L230 PolarHBondContact N-O 2.91Å; V147-R231 CarbonylContact O-C 3.46Å; V147-R231 WeakPolarHBondContact O-CA 3.47Å; V147-T232 PolarHBondContact O-N 3.01Å
148	Y	98.8	Very high	97.9	Very high	48 Å²	48	24.7 Å²	24.7	19%	0.188	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	85	168.1	-54.7	-80	0	0	0	109	V113 V114 I115 L166 T232	V113-Y148 PolarHBondContact O-N 3.4Å; V114-Y148 WeakPolarHBondContact CA-O 3.3Å; V114-Y148 HydrophobicContact CG2-CD2 4.26Å; I115-Y148 PolarHBondContact N-O 3.16Å; Y148-L166 HydrophobicContact CD1-CD1 3.78Å; Y148-L166 HydrophobicContact CD2-CD1 4.09Å; Y148-L166 HydrophobicContact CE1-CD1 4.2Å; Y148-L166 HydrophobicContact CE2-CB 4.47Å; Y148-L166 HydrophobicContact CE2-CD1 4.47Å; Y148-L166 HydrophobicContact CG-CD1 3.72Å; Y148-T232 WeakPolarHBondContact CA-O 3.21Å; Y148-T232 HydrophobicContact CD1-CG2 4.04Å; Y148-T232 HydrophobicContact CE1-CG2 4.31Å
149	L	98.8	Very high	97.9	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.9	-180	173.8	65.1	0	0	0	109.5	I115 Y117 A133 A137 V147 S151 V225 R231 T232	I115-L149 HydrophobicContact CB-CD1 3.91Å; I115-L149 HydrophobicContact CG2-CD1 3.78Å; Y117-L149 HydrophobicContact CD1-CD1 4.41Å; Y117-L149 HydrophobicContact CE1-CD1 4.17Å; A133-L149 HydrophobicContact CB-CD1 4.13Å; A137-L149 HydrophobicContact CB-CD2 4.04Å; V147-L149 HydrophobicContact CG1-CB 3.9Å; V147-L149 PolarHBondContact O-N 2.73Å; L149-S151 PolarHBondContact O-N 2.89Å; L149-V225 HydrophobicContact CD2-CB 4.02Å; L149-V225 HydrophobicContact CD2-CG1 4.16Å; L149-V225 HydrophobicContact CD2-CG2 4.15Å; L149-R231 HydrophobicContact CB-CG 4.36Å; L149-R231 PolarHBondContact O-NH2 2.75Å; L149-T232 PolarHBondContact N-O 2.74Å
150	F	98.7	Very high	97.9	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	13%	0.13	C	C	.	.			trans	-56.5	132.1	174.7	-72	-81.1	0	0	0	111	V114 I115 Y117 S152 V154 Y158 V159 A162 P234 L235 I238	V114-F150 HydrophobicContact CG1-CD2 4.4Å; V114-F150 HydrophobicContact CG1-CE2 3.71Å; I115-F150 WeakPolarHBondContact O-CD2 3.4Å; I115-F150 PolarHBondContact O-N 2.84Å; I115-F150 VanDerWaalsContact O-N 3.13Å; Y117-F150 VanDerWaalsContact CE1-O 3.31Å; Y117-F150 WeakPolarHBondContact CE1-O 3.45Å; Y117-F150 PolarHBondContact OH-O 2.94Å; F150-S152 VanDerWaalsContact C-N 3.26Å; F150-S152 PolarHBondContact O-N 1.89Å; F150-V154 HydrophobicContact CB-CG1 4.15Å; F150-V154 HydrophobicContact CB-CG2 4.44Å; F150-V154 HydrophobicContact CD1-CG1 3.64Å; F150-V154 HydrophobicContact CD2-CG1 4.44Å; F150-V154 HydrophobicContact CD2-CG2 3.86Å; F150-V154 HydrophobicContact CE1-CG1 4.09Å; F150-V154 HydrophobicContact CE2-CG2 4.2Å; F150-V154 HydrophobicContact CG-CG1 3.85Å; F150-V154 HydrophobicContact CG-CG2 4.05Å; F150-Y158 HydrophobicContact CE1-CD1 4.29Å; F150-V159 HydrophobicContact CE2-CG2 4.22Å; F150-A162 HydrophobicContact CE2-CB 4.46Å; F150-A162 HydrophobicContact CZ-CB 4Å; F150-P234 HydrophobicContact CD1-CG 3.74Å; F150-P234 HydrophobicContact CD2-CG 4.22Å; F150-P234 HydrophobicContact CE1-CB 4.33Å; F150-P234 HydrophobicContact CE1-CG 3.74Å; F150-P234 HydrophobicContact CE2-CG 4.21Å; F150-P234 HydrophobicContact CG-CG 3.99Å; F150-P234 HydrophobicContact CZ-CG 3.98Å; F150-L235 HydrophobicContact CD1-CB 3.92Å; F150-L235 HydrophobicContact CD1-CD1 3.86Å; F150-L235 HydrophobicContact CD1-CG 4.49Å; F150-L235 HydrophobicContact CE1-CD1 4.33Å; F150-I238 HydrophobicContact CE1-CB 4.16Å; F150-I238 HydrophobicContact CE1-CG2 4.11Å; F150-I238 HydrophobicContact CZ-CB 4.44Å; F150-I238 HydrophobicContact CZ-CG2 4.08Å
151	S	96.2	Very high	97.9	Very high	57 Å²	57	24.9 Å²	24.9	40%	0.399	13%	0.13	S	C	.	.	S	Bend	trans	-70.6	-17	179.5	51	0	0	0	0	115	Y117 L149 D233 L235	Y117-S151 PolarHBondContact OH-O 3.4Å; L149-S151 PolarHBondContact O-N 2.89Å; S151-D233 WeakPolarHBondContact CB-OD2 3.41Å; S151-D233 PolarHBondContact N-OD1 3.41Å; S151-D233 VanDerWaalsContact OG-CG 3.28Å; S151-D233 PolarHBondContact OG-OD1 3.49Å; S151-D233 PolarHBondContact OG-OD2 2.9Å; S151-L235 WeakPolarHBondContact OG-CD2 3.39Å
152	S	96.6	Very high	97.9	Very high	51 Å²	51	24.5 Å²	24.5	36%	0.357	13%	0.128	S	C	.	.	S	Bend	trans	-139.8	174.9	-179	-165.8	0	0	0	0	110.6	F150	F150-S152 VanDerWaalsContact C-N 3.26Å; F150-S152 PolarHBondContact O-N 1.89Å
153	F	95.6	Very high	98	Very high	59 Å²	59	23 Å²	23	26%	0.259	12%	0.118	S	C	.	.			trans	-61.5	141.9	174.8	-38.5	-70.5	0	0	0	111.2	Y117 D118 T119 V271 P297	Y117-F153 AromaticContact CD2-CD1 3.6Å; Y117-F153 HydrophobicContact CD2-CD1 3.6Å; Y117-F153 HydrophobicContact CD2-CE1 4.05Å; Y117-F153 AromaticContact CE2-CD1 3.48Å; Y117-F153 HydrophobicContact CE2-CD1 3.48Å; Y117-F153 VanDerWaalsContact CE2-CD1 3.48Å; Y117-F153 AromaticContact CE2-CE1 3.75Å; Y117-F153 HydrophobicContact CE2-CE1 3.75Å; Y117-F153 HydrophobicContact CE2-CG 4.42Å; Y117-F153 WeakPolarHBondContact O-CA 3.28Å; D118-F153 WeakPolarHBondContact O-CD1 3.1Å; T119-F153 HydrophobicContact CG2-CB 4.26Å; T119-F153 HydrophobicContact CG2-CD1 4.28Å; T119-F153 HydrophobicContact CG2-CD2 4.11Å; T119-F153 HydrophobicContact CG2-CG 3.96Å; F153-V271 HydrophobicContact CB-CB 4.5Å; F153-V271 HydrophobicContact CB-CG1 3.56Å; F153-P297 HydrophobicContact CD2-CB 4.3Å; F153-P297 HydrophobicContact CD2-CG 4.34Å; F153-P297 HydrophobicContact CE2-CB 4.16Å
154	V	98.1	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.			trans	-138	154.5	-179.2	-69.2	0	0	0	0	112.1	Y117 F150 Y158 M173 L235 F275	Y117-V154 PolarHBondContact O-N 3.01Å; F150-V154 HydrophobicContact CB-CG1 4.15Å; F150-V154 HydrophobicContact CB-CG2 4.44Å; F150-V154 HydrophobicContact CD1-CG1 3.64Å; F150-V154 HydrophobicContact CD2-CG1 4.44Å; F150-V154 HydrophobicContact CD2-CG2 3.86Å; F150-V154 HydrophobicContact CE1-CG1 4.09Å; F150-V154 HydrophobicContact CE2-CG2 4.2Å; F150-V154 HydrophobicContact CG-CG1 3.85Å; F150-V154 HydrophobicContact CG-CG2 4.05Å; V154-Y158 HydrophobicContact CB-CD1 4.26Å; V154-Y158 HydrophobicContact CB-CG 4.32Å; V154-Y158 HydrophobicContact CG1-CD1 4.15Å; V154-M173 VanDerWaalsContact O-CE 3.27Å; V154-M173 WeakPolarHBondContact O-CE 3.34Å; V154-L235 HydrophobicContact CG1-CD1 3.65Å; V154-F275 HydrophobicContact CG1-CZ 4.42Å
155	P	98.2	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.			trans	-55.9	142	167.9	-24.4	35.3	0	0	0	111.1	P157 Y158 V271 F275 D337 A338 V454	P155-P157 VanDerWaalsContact C-CD 3.44Å; P155-P157 VanDerWaalsContact C-N 3.29Å; P155-P157 HydrophobicContact CB-CG 3.84Å; P155-Y158 HydrophobicContact CB-CD2 4.06Å; P155-Y158 HydrophobicContact CG-CD2 4.02Å; P155-Y158 HydrophobicContact CG-CE2 4.15Å; P155-Y158 WeakPolarHBondContact O-CB 3.49Å; P155-Y158 PolarHBondContact O-N 2.85Å; P155-V271 HydrophobicContact CB-CG2 4.32Å; P155-V271 HydrophobicContact CG-CG2 4.12Å; P155-F275 HydrophobicContact CG-CB 4.15Å; P155-F275 HydrophobicContact CG-CD1 4.17Å; P155-F275 HydrophobicContact CG-CD2 3.64Å; P155-F275 HydrophobicContact CG-CE2 4.07Å; P155-F275 HydrophobicContact CG-CG 3.69Å; P155-F275 HydrophobicContact CG-CZ 4.48Å; P155-D337 CarbonylContact C-O 3.48Å; P155-D337 WeakPolarHBondContact CA-O 3.4Å; P155-A338 HydrophobicContact CB-CB 4.24Å; P155-V454 HydrophobicContact CB-CG2 4.37Å; P155-V454 HydrophobicContact CG-CG2 4.06Å
156	T	98.2	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-44.2	171.1	-87.4	0	0	0	0	113.7	Y158 V159 P160 M173 K187 Y189 D337 D339 E450	T156-Y158 PolarHBondContact O-N 2.89Å; T156-Y158 VanDerWaalsContact O-N 3.12Å; T156-V159 PolarHBondContact O-N 2.95Å; T156-P160 WeakPolarHBondContact O-CD 3.46Å; T156-M173 WeakPolarHBondContact OG1-CG 3.36Å; T156-K187 HydrophobicContact CG2-CD 4.33Å; T156-K187 PolarHBondContact OG1-NZ 2.99Å; T156-Y189 WeakPolarHBondContact CG2-OH 3.5Å; T156-D337 WeakPolarHBondContact CB-OD2 3.36Å; T156-D337 PolarHBondContact N-O 2.84Å; T156-D337 WeakPolarHBondContact OG1-CB 3.09Å; T156-D337 VanDerWaalsContact OG1-CG 3.32Å; T156-D337 PolarHBondContact OG1-OD2 3.2Å; T156-D339 HydrophobicContact CG2-CB 4Å; T156-E450 HydrophobicContact CG2-CG 3.99Å
157	P	97.9	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.1	177.3	20.7	-34.4	0	0	0	115.2	P155 V159 P160 Y161 V448 D452	P155-P157 VanDerWaalsContact C-CD 3.44Å; P155-P157 VanDerWaalsContact C-N 3.29Å; P155-P157 HydrophobicContact CB-CG 3.84Å; P157-V159 VanDerWaalsContact C-N 3.31Å; P157-V159 PolarHBondContact O-N 3.22Å; P157-P160 WeakPolarHBondContact O-CD 3.18Å; P157-P160 WeakPolarHBondContact O-CG 3.4Å; P157-Y161 WeakPolarHBondContact O-CB 3.4Å; P157-Y161 PolarHBondContact O-N 2.62Å; P157-Y161 VanDerWaalsContact O-N 3.12Å; P157-V448 HydrophobicContact CB-CG1 3.95Å; P157-V448 HydrophobicContact CB-CG2 4.25Å; P157-D452 HydrophobicContact CB-CB 4.17Å; P157-D452 HydrophobicContact CG-CB 4.13Å
158	Y	98.5	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-32	178.9	-87.7	-136.3	0	0	0	112.7	F150 V154 P155 T156 A162 I238 N239 Y242 M243 F275	F150-Y158 HydrophobicContact CE1-CD1 4.29Å; V154-Y158 HydrophobicContact CB-CD1 4.26Å; V154-Y158 HydrophobicContact CB-CG 4.32Å; V154-Y158 HydrophobicContact CG1-CD1 4.15Å; P155-Y158 HydrophobicContact CB-CD2 4.06Å; P155-Y158 HydrophobicContact CG-CD2 4.02Å; P155-Y158 HydrophobicContact CG-CE2 4.15Å; P155-Y158 WeakPolarHBondContact O-CB 3.49Å; P155-Y158 PolarHBondContact O-N 2.85Å; T156-Y158 PolarHBondContact O-N 2.89Å; T156-Y158 VanDerWaalsContact O-N 3.12Å; Y158-A162 WeakPolarHBondContact O-CB 2.41Å; Y158-A162 PolarHBondContact O-N 2.7Å; Y158-I238 HydrophobicContact CD1-CG2 3.97Å; Y158-I238 HydrophobicContact CE1-CG2 4.39Å; Y158-N239 HydrophobicContact CE1-CB 4.03Å; Y158-N239 PolarHBondContact OH-OD1 3.49Å; Y158-Y242 HydrophobicContact CD2-CD2 4.43Å; Y158-Y242 HydrophobicContact CD2-CG 4.47Å; Y158-Y242 AromaticContact CE2-CD1 3.6Å; Y158-Y242 HydrophobicContact CE2-CD1 3.6Å; Y158-Y242 AromaticContact CE2-CD2 3.98Å; Y158-Y242 HydrophobicContact CE2-CD2 3.98Å; Y158-Y242 AromaticContact CE2-CE1 3.87Å; Y158-Y242 HydrophobicContact CE2-CE1 3.87Å; Y158-Y242 HydrophobicContact CE2-CE2 4.22Å; Y158-Y242 AromaticContact CE2-CG 3.67Å; Y158-Y242 HydrophobicContact CE2-CG 3.67Å; Y158-Y242 AromaticContact CZ-CD1 3.77Å; Y158-Y242 AromaticContact CZ-CG 3.94Å; Y158-Y242 VanDerWaalsContact OH-CD1 3.27Å; Y158-Y242 WeakPolarHBondContact OH-CD1 3.37Å; Y158-M243 WeakPolarHBondContact OH-CE 3.35Å; Y158-F275 HydrophobicContact CD1-CE1 4.36Å; Y158-F275 AromaticContact CE1-CD1 4Å; Y158-F275 HydrophobicContact CE1-CD1 4Å; Y158-F275 AromaticContact CE1-CE1 3.58Å; Y158-F275 HydrophobicContact CE1-CE1 3.58Å; Y158-F275 HydrophobicContact CE2-CD1 4.15Å; Y158-F275 HydrophobicContact CE2-CE1 4.47Å; Y158-F275 AromaticContact CZ-CD1 3.55Å; Y158-F275 AromaticContact CZ-CE1 3.66Å; Y158-F275 VanDerWaalsContact OH-CD1 3.25Å; Y158-F275 WeakPolarHBondContact OH-CD1 3.27Å
159	V	98.8	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-59.2	178.5	173.3	0	0	0	0	112	V114 F150 T156 P157 Y161 A162 V163 M173 Y189	V114-V159 HydrophobicContact CG1-CG1 4.21Å; F150-V159 HydrophobicContact CE2-CG2 4.22Å; T156-V159 PolarHBondContact O-N 2.95Å; P157-V159 VanDerWaalsContact C-N 3.31Å; P157-V159 PolarHBondContact O-N 3.22Å; V159-Y161 VanDerWaalsContact C-N 3.28Å; V159-Y161 PolarHBondContact O-N 3.38Å; V159-A162 PolarHBondContact O-N 3.15Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 3.49Å; V159-M173 HydrophobicContact CB-CB 4.3Å; V159-M173 HydrophobicContact CG1-CB 4.47Å; V159-M173 HydrophobicContact CG2-CB 3.99Å; V159-M173 HydrophobicContact CG2-CG 4.34Å; V159-M173 HydrophobicContact CG2-SD 3.7Å; V159-Y189 HydrophobicContact CB-CD2 4.49Å; V159-Y189 HydrophobicContact CG1-CD2 3.83Å; V159-Y189 HydrophobicContact CG1-CE2 4.38Å
160	P	98.2	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-31.5	177.6	23.6	-31.3	0	0	0	113.3	T156 P157 K164 Y189 G193 V448 E450	T156-P160 WeakPolarHBondContact O-CD 3.46Å; P157-P160 WeakPolarHBondContact O-CD 3.18Å; P157-P160 WeakPolarHBondContact O-CG 3.4Å; P160-K164 PolarHBondContact O-N 3.09Å; P160-Y189 HydrophobicContact CB-CD1 3.65Å; P160-Y189 HydrophobicContact CB-CE1 4.06Å; P160-Y189 HydrophobicContact CB-CG 4.01Å; P160-Y189 HydrophobicContact CG-CD1 3.98Å; P160-Y189 HydrophobicContact CG-CE1 3.87Å; P160-Y189 HydrophobicContact CG-CG 4.41Å; P160-G193 WeakPolarHBondContact CB-O 3.4Å; P160-V448 HydrophobicContact CB-CG2 4.11Å; P160-V448 HydrophobicContact CG-CG2 3.72Å; P160-E450 HydrophobicContact CG-CB 3.92Å; P160-E450 HydrophobicContact CG-CG 4.28Å
161	Y	98.5	Very high	98	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-50.4	172.3	177.5	-100.3	0	0	0	111.5	P157 V159 V163 K164 R165 I238 C241 Y242 D245 I447	P157-Y161 WeakPolarHBondContact O-CB 3.4Å; P157-Y161 PolarHBondContact O-N 2.62Å; P157-Y161 VanDerWaalsContact O-N 3.12Å; V159-Y161 VanDerWaalsContact C-N 3.28Å; V159-Y161 PolarHBondContact O-N 3.38Å; Y161-V163 VanDerWaalsContact C-N 3.34Å; Y161-V163 PolarHBondContact O-N 2.91Å; Y161-K164 PolarHBondContact O-N 3.02Å; Y161-K164 VanDerWaalsContact O-N 3.17Å; Y161-R165 HydrophobicContact CD1-CG 4.05Å; Y161-R165 HydrophobicContact CD2-CG 4.32Å; Y161-R165 HydrophobicContact CE1-CG 3.57Å; Y161-R165 HydrophobicContact CE2-CG 3.87Å; Y161-R165 HydrophobicContact CG-CG 4.39Å; Y161-R165 VanDerWaalsContact CZ-CG 3.46Å; Y161-R165 WeakPolarHBondContact O-CG 3.31Å; Y161-R165 PolarHBondContact O-N 3.38Å; Y161-R165 WeakPolarHBondContact OH-CD 3.1Å; Y161-R165 PolarHBondContact OH-NH1 2.9Å; Y161-R165 VanDerWaalsContact OH-NH1 3.1Å; Y161-I238 HydrophobicContact CD1-CG2 3.85Å; Y161-I238 HydrophobicContact CE1-CG2 4.11Å; Y161-C241 HydrophobicContact CE1-CB 4.19Å; Y161-C241 WeakPolarHBondContact OH-CB 3.46Å; Y161-C241 PolarHBondContact OH-O 3.08Å; Y161-Y242 HydrophobicContact CD1-CD2 4.31Å; Y161-Y242 HydrophobicContact CD2-CD2 4.42Å; Y161-Y242 HydrophobicContact CE1-CD2 4.48Å; Y161-Y242 HydrophobicContact CG-CD2 4.29Å; Y161-Y242 PolarHBondContact OH-N 2.8Å; Y161-D245 VanDerWaalsContact CE2-OD2 3.23Å; Y161-D245 WeakPolarHBondContact CE2-OD2 3.44Å; Y161-D245 VanDerWaalsContact OH-CG 3.3Å; Y161-D245 PolarHBondContact OH-OD2 3.32Å; Y161-I447 HydrophobicContact CD2-CG2 3.76Å; Y161-I447 HydrophobicContact CE2-CG2 3.63Å
162	A	98.7	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-37.2	176.3	0	0	0	0	0	113	V114 F150 Y158 V159 K164 R165 L166 I238	V114-A162 HydrophobicContact CG1-CB 3.94Å; V114-A162 HydrophobicContact CG2-CB 4.15Å; F150-A162 HydrophobicContact CE2-CB 4.46Å; F150-A162 HydrophobicContact CZ-CB 4Å; Y158-A162 WeakPolarHBondContact O-CB 2.41Å; Y158-A162 PolarHBondContact O-N 2.7Å; V159-A162 PolarHBondContact O-N 3.15Å; A162-K164 VanDerWaalsContact C-N 3.29Å; A162-K164 PolarHBondContact O-N 3.38Å; A162-R165 PolarHBondContact O-N 3.35Å; A162-L166 HydrophobicContact CB-CD1 4.33Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 3.31Å; A162-I238 HydrophobicContact CB-CD1 3.77Å; A162-I238 HydrophobicContact CB-CG1 3.81Å; A162-I238 HydrophobicContact CB-CG2 4.13Å
163	V	98.6	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.8	-45.7	173.8	169.3	0	0	0	0	110.9	V114 V159 Y161 G167 A168 G171 W190	V114-V163 HydrophobicContact CB-CG2 3.88Å; V114-V163 HydrophobicContact CG2-CG2 3.79Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 3.49Å; Y161-V163 VanDerWaalsContact C-N 3.34Å; Y161-V163 PolarHBondContact O-N 2.91Å; V163-G167 CarbonylContact O-C 3.59Å; V163-G167 WeakPolarHBondContact O-CA 3.07Å; V163-G167 PolarHBondContact O-N 3.01Å; V163-G167 VanDerWaalsContact O-N 3.1Å; V163-A168 PolarHBondContact O-N 3.37Å; V163-G171 VanDerWaalsContact CG2-CA 3.5Å; V163-W190 WeakPolarHBondContact CG1-O 3.3Å
164	K	97.6	Very high	98.4	Very high	108 Å²	108	14.2 Å²	14.2	47%	0.47	7%	0.071	S	C	.	.	H	α-helix	trans	-69.5	-44.8	176.6	-66.1	-173.6	76.7	-173.2	0	112.5	P160 Y161 A162 G167 S192 P449	P160-K164 PolarHBondContact O-N 3.09Å; Y161-K164 PolarHBondContact O-N 3.02Å; Y161-K164 VanDerWaalsContact O-N 3.17Å; A162-K164 VanDerWaalsContact C-N 3.29Å; A162-K164 PolarHBondContact O-N 3.38Å; K164-G167 PolarHBondContact O-N 2.96Å; K164-S192 WeakPolarHBondContact CD-O 3.49Å; K164-P449 HydrophobicContact CD-CG 4.47Å
165	R	97.8	Very high	98.3	Very high	111 Å²	111	14.3 Å²	14.3	42%	0.419	7%	0.071	S	C	.	.	H	α-helix	trans	-67.6	-34.8	-176.7	-68.9	-65.9	-66.6	-137.3	0	113.7	Y161 A162 I238 C241 D245	Y161-R165 HydrophobicContact CD1-CG 4.05Å; Y161-R165 HydrophobicContact CD2-CG 4.32Å; Y161-R165 HydrophobicContact CE1-CG 3.57Å; Y161-R165 HydrophobicContact CE2-CG 3.87Å; Y161-R165 HydrophobicContact CG-CG 4.39Å; Y161-R165 VanDerWaalsContact CZ-CG 3.46Å; Y161-R165 WeakPolarHBondContact O-CG 3.31Å; Y161-R165 PolarHBondContact O-N 3.38Å; Y161-R165 WeakPolarHBondContact OH-CD 3.1Å; Y161-R165 PolarHBondContact OH-NH1 2.9Å; Y161-R165 VanDerWaalsContact OH-NH1 3.1Å; A162-R165 PolarHBondContact O-N 3.35Å; R165-I238 HydrophobicContact CB-CD1 3.91Å; R165-I238 HydrophobicContact CG-CD1 4.47Å; R165-C241 PolarHBondContact NH2-SG 2.85Å; R165-D245 IonicContact CZ-OD1 3.83Å; R165-D245 IonicContact CZ-OD2 3.58Å; R165-D245 IonicContact NH1-OD1 3.98Å; R165-D245 PolarHBondContact NH1-OD1 3.33Å; R165-D245 IonicContact NH1-OD2 2.68Å; R165-D245 PolarHBondContact NH1-OD2 3.02Å
166	L	98.1	Very high	98.1	Very high	39 Å²	39	14.4 Å²	14.4	20%	0.204	7%	0.072	C	C	.	.	H	α-helix	trans	-94.8	-7.2	-179.7	-58.6	171.6	0	0	0	112.7	V114 Y148 A162 A168 P234 I238	V114-L166 HydrophobicContact CG2-CD1 4.32Å; Y148-L166 HydrophobicContact CD1-CD1 3.78Å; Y148-L166 HydrophobicContact CD2-CD1 4.09Å; Y148-L166 HydrophobicContact CE1-CD1 4.2Å; Y148-L166 HydrophobicContact CE2-CB 4.47Å; Y148-L166 HydrophobicContact CE2-CD1 4.47Å; Y148-L166 HydrophobicContact CG-CD1 3.72Å; A162-L166 HydrophobicContact CB-CD1 4.33Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 3.31Å; L166-A168 PolarHBondContact O-N 3.3Å; L166-P234 HydrophobicContact CD1-CB 4.03Å; L166-I238 HydrophobicContact CD1-CD1 4.29Å; L166-I238 HydrophobicContact CD1-CG1 4.49Å; L166-I238 HydrophobicContact CD2-CD1 4.35Å; L166-I238 HydrophobicContact CG-CD1 4.11Å
167	G	97.9	Very high	97.9	Very high	36 Å²	36	14.8 Å²	14.8	37%	0.371	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.6	-175.4	0	0	0	0	0	114	R111 V163 K164	R111-G167 PolarHBondContact NE-O 3.29Å; R111-G167 PolarHBondContact NH2-O 3.18Å; V163-G167 CarbonylContact O-C 3.59Å; V163-G167 WeakPolarHBondContact O-CA 3.07Å; V163-G167 PolarHBondContact O-N 3.01Å; V163-G167 VanDerWaalsContact O-N 3.1Å; K164-G167 PolarHBondContact O-N 2.96Å
168	A	98.6	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.			trans	-60.9	156.7	-176.4	0	0	0	0	0	112.8	R111 V114 V163 L166	R111-A168 PolarHBondContact NH2-O 3Å; R111-A168 WeakPolarHBondContact O-CA 3.25Å; V114-A168 HydrophobicContact CG2-CB 3.82Å; V163-A168 PolarHBondContact O-N 3.37Å; L166-A168 PolarHBondContact O-N 3.3Å
169	A	98.4	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-73.2	-34.2	-178.4	0	0	0	0	0	112.5	L101 F105 L108 R111 G112 C191	L101-A169 HydrophobicContact CD2-CB 4.48Å; F105-A169 HydrophobicContact CD2-CB 3.85Å; F105-A169 HydrophobicContact CE2-CB 4.14Å; F105-A169 HydrophobicContact CG-CB 4.29Å; L108-A169 HydrophobicContact CD1-CB 3.62Å; R111-A169 HydrophobicContact CB-CB 4.25Å; G112-A169 WeakPolarHBondContact O-CB 3.41Å; G112-A169 PolarHBondContact O-N 3.07Å; A169-C191 WeakPolarHBondContact O-CB 3.47Å; A169-C191 PolarHBondContact O-N 3.49Å
170	S	98.6	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	162.9	-178.9	-176.9	0	0	0	0	110.9	V113 V114 Y189	V113-S170 VanDerWaalsContact CA-O 3.29Å; V113-S170 WeakPolarHBondContact CA-O 3.49Å; V114-S170 PolarHBondContact N-O 3.42Å; S170-Y189 CarbonylContact C-O 3.53Å; S170-Y189 VanDerWaalsContact CA-O 3.26Å; S170-Y189 WeakPolarHBondContact CA-O 3.07Å; S170-Y189 WeakPolarHBondContact CB-O 3.29Å; S170-Y189 PolarHBondContact OG-O 3.13Å
171	G	98.7	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.5	171.3	0	0	0	0	0	111.8	V114 V163 V188 Y189	V114-G171 CarbonylContact O-C 3.6Å; V114-G171 VanDerWaalsContact O-CA 3.25Å; V114-G171 WeakPolarHBondContact O-CA 3.37Å; V163-G171 VanDerWaalsContact CG2-CA 3.5Å; G171-V188 WeakPolarHBondContact O-CA 3.32Å; G171-Y189 PolarHBondContact N-O 2.78Å; G171-Y189 PolarHBondContact O-N 2.81Å
172	V	98.9	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.3	172.2	180	0	0	0	0	108.9	L97 V114 I115 G116 T136 I174 Y186 K187	L97-V172 HydrophobicContact CD2-CG2 3.66Å; V114-V172 PolarHBondContact O-N 2.89Å; I115-V172 WeakPolarHBondContact CA-O 3.41Å; I115-V172 HydrophobicContact CG1-CB 4.49Å; G116-V172 PolarHBondContact N-O 3.2Å; T136-V172 HydrophobicContact CG2-CB 4.2Å; T136-V172 HydrophobicContact CG2-CG1 4.05Å; T136-V172 HydrophobicContact CG2-CG2 4.18Å; V172-I174 HydrophobicContact CG1-CD1 3.74Å; V172-I174 HydrophobicContact CG1-CG1 4.49Å; V172-Y186 HydrophobicContact CG1-CD1 4.22Å; V172-Y186 HydrophobicContact CG1-CD2 3.84Å; V172-Y186 HydrophobicContact CG1-CE1 3.97Å; V172-Y186 HydrophobicContact CG1-CE2 3.57Å; V172-Y186 HydrophobicContact CG1-CG 4.15Å; V172-Y186 HydrophobicContact CG2-CE1 4.12Å; V172-K187 WeakPolarHBondContact CA-O 3.33Å
173	M	98.7	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.4	171.2	-178.4	64.5	-175	0	0	109.2	G116 Y117 D118 V154 T156 V159 T175 K187 Y189 D337	G116-M173 WeakPolarHBondContact O-CA 3.35Å; Y117-M173 VanDerWaalsContact C-CE 3.5Å; Y117-M173 PolarHBondContact N-SD 3.1Å; Y117-M173 VanDerWaalsContact N-SD 3.42Å; D118-M173 HydrophobicContact CB-CE 4.27Å; V154-M173 VanDerWaalsContact O-CE 3.27Å; V154-M173 WeakPolarHBondContact O-CE 3.34Å; T156-M173 WeakPolarHBondContact OG1-CG 3.36Å; V159-M173 HydrophobicContact CB-CB 4.3Å; V159-M173 HydrophobicContact CG1-CB 4.47Å; V159-M173 HydrophobicContact CG2-CB 3.99Å; V159-M173 HydrophobicContact CG2-CG 4.34Å; V159-M173 HydrophobicContact CG2-SD 3.7Å; M173-T175 HydrophobicContact CE-CG2 4.34Å; M173-T175 HydrophobicContact CG-CG2 3.72Å; M173-T175 PolarHBondContact O-N 2.94Å; M173-K187 HydrophobicContact CB-CB 4.16Å; M173-K187 PolarHBondContact N-O 2.96Å; M173-K187 PolarHBondContact O-N 2.89Å; M173-Y189 HydrophobicContact CB-CE2 4.03Å; M173-D337 HydrophobicContact CE-CB 4.36Å
174	I	98.6	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105.2	177.2	-51.8	-59.5	0	0	0	109.2	G116 Y117 D118 L132 A133 V172 G185 Y186	G116-I174 PolarHBondContact O-N 2.92Å; Y117-I174 WeakPolarHBondContact CA-O 3.4Å; D118-I174 PolarHBondContact N-O 3.48Å; L132-I174 HydrophobicContact CB-CG2 4.02Å; L132-I174 HydrophobicContact CD1-CG2 4.31Å; A133-I174 HydrophobicContact CB-CG1 4.03Å; V172-I174 HydrophobicContact CG1-CD1 3.74Å; V172-I174 HydrophobicContact CG1-CG1 4.49Å; I174-G185 WeakPolarHBondContact CA-O 3.32Å; I174-Y186 HydrophobicContact CD1-CD2 3.5Å; I174-Y186 VanDerWaalsContact CD1-CD2 3.5Å; I174-Y186 HydrophobicContact CD1-CE2 4.05Å; I174-Y186 HydrophobicContact CD1-CG 4.31Å
175	T	97.2	Very high	95.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	12%	0.119	C	C	.	.			trans	-171.6	156.6	-178.2	-178	0	0	0	0	111.1	D118 M173 S177 N184 G185 K187 D337	D118-T175 VanDerWaalsContact OD2-CB 3.25Å; D118-T175 WeakPolarHBondContact OD2-CB 3.23Å; D118-T175 PolarHBondContact OD2-OG1 3.28Å; M173-T175 HydrophobicContact CE-CG2 4.34Å; M173-T175 HydrophobicContact CG-CG2 3.72Å; M173-T175 PolarHBondContact O-N 2.94Å; T175-S177 PolarHBondContact OG1-N 3.44Å; T175-N184 WeakPolarHBondContact CA-OD1 3.49Å; T175-N184 PolarHBondContact N-OD1 2.98Å; T175-G185 PolarHBondContact N-O 3.11Å; T175-G185 VanDerWaalsContact N-O 3.14Å; T175-G185 CarbonylContact O-C 3.49Å; T175-G185 WeakPolarHBondContact O-CA 3.26Å; T175-G185 PolarHBondContact O-N 3.24Å; T175-K187 HydrophobicContact CG2-CD 3.66Å; T175-K187 HydrophobicContact CG2-CG 4.28Å; T175-D337 HydrophobicContact CG2-CB 4.3Å; T175-D337 WeakPolarHBondContact CG2-OD2 3.5Å; T175-D337 WeakPolarHBondContact OG1-CB 3.4Å
176	A	94.2	Very high	95.5	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	10%	0.099	C	C	.	.			trans	-112.5	14.6	162.1	0	0	0	0	0	114.4	R75 N179 D183	R75-A176 HydrophobicContact CG-CB 3.96Å; A176-N179 HydrophobicContact CB-CB 3.78Å; A176-N179 WeakPolarHBondContact O-CB 3.25Å; A176-N179 PolarHBondContact O-N 3.22Å; A176-N179 PolarHBondContact O-OD1 3.05Å; A176-N179 VanDerWaalsContact O-OD1 3.06Å; A176-D183 HydrophobicContact CB-CB 4.02Å
177	S	92.7	Very high	95.5	Very high	8 Å²	8	16 Å²	16	6%	0.056	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-140.3	-178.7	165.8	0	0	0	0	111.7	R120 T175 N179 D335 D337	R120-S177 PolarHBondContact NH2-O 2.87Å; T175-S177 PolarHBondContact OG1-N 3.44Å; S177-N179 PolarHBondContact O-N 3.03Å; S177-D335 PolarHBondContact OG-OD2 2.91Å; S177-D337 WeakPolarHBondContact CA-OD1 3.44Å; S177-D337 VanDerWaalsContact CB-OD1 3.25Å; S177-D337 WeakPolarHBondContact CB-OD1 3.42Å; S177-D337 PolarHBondContact OG-OD1 3.21Å
178	H	90.4	Very high	95.5	Very high	35 Å²	35	14.3 Å²	14.3	16%	0.162	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-3.7	176.9	65.7	-77	0	0	0	116.9	N308 D335 R340	H178-N308 HydrophobicContact CB-CB 3.88Å; H178-D335 HydrophobicContact CB-CB 4.34Å; H178-D335 PolarHBondContact N-OD2 3.35Å; H178-R340 VanDerWaalsContact CE1-CZ 3.46Å; H178-R340 VanDerWaalsContact ND1-CZ 3.34Å; H178-R340 PolarHBondContact ND1-NE 2.71Å
179	N	89.6	Confident	95.5	Very high	17 Å²	17	14.3 Å²	14.3	9%	0.091	7%	0.073	C	C	.	.	S	Bend	trans	-63.9	154.5	177.1	-79.1	59.8	0	0	0	112.6	R75 R120 A176 S177 D183	R75-N179 PolarHBondContact NH1-OD1 3.03Å; R120-N179 PolarHBondContact NH1-O 2.67Å; A176-N179 HydrophobicContact CB-CB 3.78Å; A176-N179 WeakPolarHBondContact O-CB 3.25Å; A176-N179 PolarHBondContact O-N 3.22Å; A176-N179 PolarHBondContact O-OD1 3.05Å; A176-N179 VanDerWaalsContact O-OD1 3.06Å; S177-N179 PolarHBondContact O-N 3.03Å; N179-D183 HydrophobicContact CB-CB 3.82Å; N179-D183 PolarHBondContact ND2-OD2 3.09Å
180	P	88.4	Confident	95.5	Very high	43 Å²	43	15.4 Å²	15.4	28%	0.279	8%	0.077	S	C	.	.			trans	-51.3	159.3	171.4	-26.1	35.5	0	0	0	113.6	R120 E182 D183	R120-P180 PolarHBondContact NH1-O 2.84Å; P180-E182 WeakPolarHBondContact CB-OE2 3.48Å; P180-E182 PolarHBondContact O-N 2.53Å; P180-E182 VanDerWaalsContact O-N 3.12Å; P180-D183 PolarHBondContact O-N 2.79Å
181	K	89.9	Confident	95.4	Very high	69 Å²	69	17.4 Å²	17.4	30%	0.3	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.5	-176.9	68.6	173.9	-167.9	172.9	0	113.6	M78 D183 N300 F301	M78-K181 WeakPolarHBondContact CE-O 3.36Å; K181-D183 VanDerWaalsContact C-N 3.25Å; K181-D183 PolarHBondContact O-N 2.97Å; K181-N300 HydrophobicContact CD-CB 4.19Å; K181-N300 WeakPolarHBondContact CD-O 3.17Å; K181-N300 PolarHBondContact NZ-OD1 3.12Å; K181-F301 HydrophobicContact CB-CD2 3.84Å; K181-F301 HydrophobicContact CB-CE2 4.07Å
182	E	92.3	Very high	95.2	Very high	85 Å²	85	18 Å²	18	40%	0.397	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.2	179.4	-62.2	72.9	-158.6	0	0	112.4	P77 M78 P180	P77-E182 CarbonylContact C-O 3.58Å; P77-E182 WeakPolarHBondContact CA-O 3.45Å; M78-E182 PolarHBondContact N-O 2.91Å; P180-E182 WeakPolarHBondContact CB-OE2 3.48Å; P180-E182 PolarHBondContact O-N 2.53Å; P180-E182 VanDerWaalsContact O-N 3.12Å
183	D	93.9	Very high	95.1	Very high	30 Å²	30	18 Å²	18	16%	0.16	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.4	177.8	-76.2	-21.7	0	0	0	111.7	P77 R120 A176 N179 P180 K181	P77-D183 VanDerWaalsContact CA-OD1 3.25Å; P77-D183 WeakPolarHBondContact CA-OD1 3.38Å; P77-D183 WeakPolarHBondContact CD-OD1 3.46Å; P77-D183 WeakPolarHBondContact CG-OD1 3.41Å; P77-D183 VanDerWaalsContact N-OD1 3.12Å; R120-D183 WeakPolarHBondContact CD-O 3.18Å; R120-D183 PolarHBondContact NH1-O 2.88Å; A176-D183 HydrophobicContact CB-CB 4.02Å; N179-D183 HydrophobicContact CB-CB 3.82Å; N179-D183 PolarHBondContact ND2-OD2 3.09Å; P180-D183 PolarHBondContact O-N 2.79Å; K181-D183 VanDerWaalsContact C-N 3.25Å; K181-D183 PolarHBondContact O-N 2.97Å
184	N	96.3	Very high	95	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-178.9	166.2	-154.6	-18.8	0	0	0	109.9	R75 A76 M78 I85 S129 T175	R75-N184 WeakPolarHBondContact CG-O 3.26Å; A76-N184 PolarHBondContact N-O 2.84Å; A76-N184 PolarHBondContact O-N 2.93Å; A76-N184 VanDerWaalsContact O-N 3.14Å; M78-N184 HydrophobicContact CE-CB 4.03Å; M78-N184 HydrophobicContact CG-CB 3.62Å; M78-N184 HydrophobicContact SD-CB 3.65Å; I85-N184 HydrophobicContact CB-CB 4.36Å; I85-N184 WeakPolarHBondContact CG1-O 3.39Å; I85-N184 HydrophobicContact CG2-CB 3.95Å; S129-N184 PolarHBondContact OG-ND2 2.86Å; S129-N184 PolarHBondContact OG-OD1 2.75Å; T175-N184 WeakPolarHBondContact CA-OD1 3.49Å; T175-N184 PolarHBondContact N-OD1 2.98Å
185	G	96.3	Very high	94.9	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	172	-175.4	0	0	0	0	0	114.8	L74 I174 T175	L74-G185 CarbonylContact O-C 3.56Å; L74-G185 WeakPolarHBondContact O-CA 3.29Å; I174-G185 WeakPolarHBondContact CA-O 3.32Å; T175-G185 PolarHBondContact N-O 3.11Å; T175-G185 VanDerWaalsContact N-O 3.14Å; T175-G185 CarbonylContact O-C 3.49Å; T175-G185 WeakPolarHBondContact O-CA 3.26Å; T175-G185 PolarHBondContact O-N 3.24Å
186	Y	98	Very high	94.8	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	88.1	-175.5	-168.2	-83.7	0	0	0	107.4	G73 L74 V90 S94 L97 T136 V172 I174 V188	G73-Y186 WeakPolarHBondContact CA-O 3.26Å; L74-Y186 PolarHBondContact N-O 3.22Å; L74-Y186 PolarHBondContact O-N 3.27Å; V90-Y186 HydrophobicContact CG1-CD2 4.26Å; V90-Y186 HydrophobicContact CG1-CE2 4.11Å; V90-Y186 HydrophobicContact CG2-CD2 4.43Å; S94-Y186 WeakPolarHBondContact CA-OH 3.48Å; S94-Y186 PolarHBondContact OG-OH 3.05Å; L97-Y186 HydrophobicContact CD2-CE1 4.34Å; T136-Y186 HydrophobicContact CG2-CE2 4Å; V172-Y186 HydrophobicContact CG1-CD1 4.22Å; V172-Y186 HydrophobicContact CG1-CD2 3.84Å; V172-Y186 HydrophobicContact CG1-CE1 3.97Å; V172-Y186 HydrophobicContact CG1-CE2 3.57Å; V172-Y186 HydrophobicContact CG1-CG 4.15Å; V172-Y186 HydrophobicContact CG2-CE1 4.12Å; I174-Y186 HydrophobicContact CD1-CD2 3.5Å; I174-Y186 VanDerWaalsContact CD1-CD2 3.5Å; I174-Y186 HydrophobicContact CD1-CE2 4.05Å; I174-Y186 HydrophobicContact CD1-CG 4.31Å; Y186-V188 HydrophobicContact CD1-CG2 3.5Å; Y186-V188 VanDerWaalsContact CD1-CG2 3.5Å; Y186-V188 HydrophobicContact CE1-CG2 3.41Å; Y186-V188 VanDerWaalsContact CE1-CG2 3.41Å
187	K	97.9	Very high	94.7	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.017	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.8	173.8	-65.8	177.6	176.4	176.7	0	108.4	T156 V172 M173 T175 Y189 D337 D339	T156-K187 HydrophobicContact CG2-CD 4.33Å; T156-K187 PolarHBondContact OG1-NZ 2.99Å; V172-K187 WeakPolarHBondContact CA-O 3.33Å; M173-K187 HydrophobicContact CB-CB 4.16Å; M173-K187 PolarHBondContact N-O 2.96Å; M173-K187 PolarHBondContact O-N 2.89Å; T175-K187 HydrophobicContact CG2-CD 3.66Å; T175-K187 HydrophobicContact CG2-CG 4.28Å; K187-Y189 HydrophobicContact CB-CE2 3.95Å; K187-D337 IonicContact NZ-OD2 3.25Å; K187-D337 PolarHBondContact NZ-OD2 2.9Å; K187-D339 IonicContact NZ-OD2 3.06Å; K187-D339 PolarHBondContact NZ-OD2 2.73Å
188	V	98.4	Very high	94.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.8	179.8	-175.8	0	0	0	0	110.6	F69 L97 G171 Y186 Q195 I196	F69-V188 HydrophobicContact CE1-CG2 4.07Å; F69-V188 HydrophobicContact CZ-CG2 4.22Å; L97-V188 HydrophobicContact CD1-CG1 3.93Å; L97-V188 HydrophobicContact CD2-CG1 4.11Å; L97-V188 HydrophobicContact CD2-CG2 4.48Å; G171-V188 WeakPolarHBondContact O-CA 3.32Å; Y186-V188 HydrophobicContact CD1-CG2 3.5Å; Y186-V188 VanDerWaalsContact CD1-CG2 3.5Å; Y186-V188 HydrophobicContact CE1-CG2 3.41Å; Y186-V188 VanDerWaalsContact CE1-CG2 3.41Å; V188-Q195 WeakPolarHBondContact O-CA 3.42Å; V188-Q195 VanDerWaalsContact O-CG 3.23Å; V188-Q195 WeakPolarHBondContact O-CG 3.25Å; V188-I196 HydrophobicContact CB-CD1 3.77Å; V188-I196 HydrophobicContact CB-CG1 4.01Å; V188-I196 HydrophobicContact CB-CG2 4.41Å; V188-I196 HydrophobicContact CG1-CD1 3.95Å; V188-I196 HydrophobicContact CG1-CG1 4.37Å; V188-I196 HydrophobicContact CG1-CG2 3.95Å; V188-I196 HydrophobicContact CG2-CD1 4.43Å; V188-I196 PolarHBondContact O-N 3.23Å
189	Y	98.3	Very high	94.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.1	179.1	-63.3	-83.2	0	0	0	110.3	T156 V159 P160 S170 G171 M173 K187 G193 Q195 E450	T156-Y189 WeakPolarHBondContact CG2-OH 3.5Å; V159-Y189 HydrophobicContact CB-CD2 4.49Å; V159-Y189 HydrophobicContact CG1-CD2 3.83Å; V159-Y189 HydrophobicContact CG1-CE2 4.38Å; P160-Y189 HydrophobicContact CB-CD1 3.65Å; P160-Y189 HydrophobicContact CB-CE1 4.06Å; P160-Y189 HydrophobicContact CB-CG 4.01Å; P160-Y189 HydrophobicContact CG-CD1 3.98Å; P160-Y189 HydrophobicContact CG-CE1 3.87Å; P160-Y189 HydrophobicContact CG-CG 4.41Å; S170-Y189 CarbonylContact C-O 3.53Å; S170-Y189 VanDerWaalsContact CA-O 3.26Å; S170-Y189 WeakPolarHBondContact CA-O 3.07Å; S170-Y189 WeakPolarHBondContact CB-O 3.29Å; S170-Y189 PolarHBondContact OG-O 3.13Å; G171-Y189 PolarHBondContact N-O 2.78Å; G171-Y189 PolarHBondContact O-N 2.81Å; M173-Y189 HydrophobicContact CB-CE2 4.03Å; K187-Y189 HydrophobicContact CB-CE2 3.95Å; Y189-G193 WeakPolarHBondContact CD1-O 3.15Å; Y189-Q195 HydrophobicContact CD1-CB 3.98Å; Y189-Q195 HydrophobicContact CD1-CG 4.47Å; Y189-Q195 HydrophobicContact CE1-CB 3.8Å; Y189-Q195 HydrophobicContact CE1-CG 4.21Å; Y189-E450 HydrophobicContact CE1-CG 4.34Å; Y189-E450 VanDerWaalsContact CE1-OE2 3.24Å; Y189-E450 WeakPolarHBondContact CE1-OE2 3.46Å; Y189-E450 PolarHBondContact OH-OE2 3.37Å
190	W	97.7	Very high	95	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	173	175.5	-154.1	-122.3	0	0	0	111.3	Y100 L101 C104 F105 V163 S192 G193 A194 I196 H200	Y100-W190 AromaticContact CD1-CH2 3.92Å; Y100-W190 HydrophobicContact CD1-CH2 3.92Å; Y100-W190 HydrophobicContact CD1-CZ3 4.09Å; Y100-W190 AromaticContact CE1-CH2 3.6Å; Y100-W190 HydrophobicContact CE1-CH2 3.6Å; Y100-W190 HydrophobicContact CE1-CZ2 4.44Å; Y100-W190 AromaticContact CE1-CZ3 3.98Å; Y100-W190 HydrophobicContact CE1-CZ3 3.98Å; L101-W190 HydrophobicContact CD2-CE3 4.34Å; L101-W190 HydrophobicContact CD2-CH2 3.78Å; L101-W190 HydrophobicContact CD2-CZ3 3.51Å; C104-W190 HydrophobicContact CB-CH2 4.05Å; C104-W190 HydrophobicContact CB-CZ2 4.02Å; F105-W190 AromaticContact CE2-CE2 3.92Å; F105-W190 AromaticContact CE2-CH2 3.64Å; F105-W190 HydrophobicContact CE2-CH2 3.64Å; F105-W190 AromaticContact CE2-CZ2 3.42Å; F105-W190 HydrophobicContact CE2-CZ2 3.42Å; F105-W190 VanDerWaalsContact CE2-CZ2 3.42Å; F105-W190 HydrophobicContact CE2-CZ3 4.29Å; F105-W190 AromaticContact CZ-CE2 3.75Å; F105-W190 HydrophobicContact CZ-CH2 4.26Å; F105-W190 AromaticContact CZ-CZ2 3.56Å; F105-W190 HydrophobicContact CZ-CZ2 3.56Å; F105-W190 AromaticContact CZ-NE1 3.96Å; V163-W190 WeakPolarHBondContact CG1-O 3.3Å; W190-S192 PolarHBondContact O-N 3Å; W190-G193 PolarHBondContact O-N 3.36Å; W190-A194 PolarHBondContact N-O 2.81Å; W190-I196 HydrophobicContact CB-CG2 4.17Å; W190-I196 HydrophobicContact CE3-CG2 4.03Å; W190-H200 AromaticContact CD1-NE2 3.97Å; W190-H200 AromaticContact CE2-CE1 3.64Å; W190-H200 AromaticContact CE2-NE2 3.76Å; W190-H200 AromaticContact CZ2-CE1 3.59Å; W190-H200 AromaticContact CZ2-ND1 3.79Å; W190-H200 AromaticContact NE1-CE1 3.79Å; W190-H200 AromaticContact NE1-NE2 3.56Å
191	C	96.9	Very high	95.2	Very high	42 Å²	42	23.3 Å²	23.3	28%	0.284	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.5	179.1	61.9	0	0	0	0	115.2	F105 R111 A169 G193	F105-C191 HydrophobicContact CZ-CB 4.23Å; R111-C191 VanDerWaalsContact NH2-CB 3.3Å; A169-C191 WeakPolarHBondContact O-CB 3.47Å; A169-C191 PolarHBondContact O-N 3.49Å; C191-G193 PolarHBondContact O-N 2.96Å
192	S	95.4	Very high	95.5	Very high	12 Å²	12	26.1 Å²	26.1	8%	0.084	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.7	172.2	56.6	0	0	0	0	113.7	K164 W190 A194	K164-S192 WeakPolarHBondContact CD-O 3.49Å; W190-S192 PolarHBondContact O-N 3Å; S192-A194 PolarHBondContact O-N 3.42Å; S192-A194 WeakPolarHBondContact OG-CB 3.37Å; S192-A194 PolarHBondContact OG-N 2.94Å
193	G	95.9	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	80.4	-10.6	-165.1	0	0	0	0	0	113.5	P160 Y189 W190 C191 P449	P160-G193 WeakPolarHBondContact CB-O 3.4Å; Y189-G193 WeakPolarHBondContact CD1-O 3.15Å; W190-G193 PolarHBondContact O-N 3.36Å; C191-G193 PolarHBondContact O-N 2.96Å; G193-P449 VanDerWaalsContact C-CG 3.48Å
194	A	96.1	Very high	95.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-76.1	145.8	176.4	0	0	0	0	0	111	W190 S192 G419 N420	W190-A194 PolarHBondContact N-O 2.81Å; S192-A194 PolarHBondContact O-N 3.42Å; S192-A194 WeakPolarHBondContact OG-CB 3.37Å; S192-A194 PolarHBondContact OG-N 2.94Å; A194-G419 VanDerWaalsContact CB-C 3.47Å; A194-N420 HydrophobicContact CB-CB 4.45Å
195	Q	96.4	Very high	95.9	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.033	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-63.3	143.6	171.4	-162.6	-157.2	-64.6	0	0	110.1	T71 V188 Y189 K416 N420	T71-Q195 PolarHBondContact O-NE2 2.72Å; T71-Q195 PolarHBondContact O-OE1 3.09Å; V188-Q195 WeakPolarHBondContact O-CA 3.42Å; V188-Q195 VanDerWaalsContact O-CG 3.23Å; V188-Q195 WeakPolarHBondContact O-CG 3.25Å; Y189-Q195 HydrophobicContact CD1-CB 3.98Å; Y189-Q195 HydrophobicContact CD1-CG 4.47Å; Y189-Q195 HydrophobicContact CE1-CB 3.8Å; Y189-Q195 HydrophobicContact CE1-CG 4.21Å; Q195-K416 HydrophobicContact CB-CB 3.83Å; Q195-K416 HydrophobicContact CG-CB 4.4Å; Q195-N420 PolarHBondContact O-ND2 2.81Å
196	I	95.8	Very high	96	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-63.3	143.6	-176.4	65.3	173.2	0	0	0	112.8	F69 V188 W190 H200 D201 V204 K416	F69-I196 HydrophobicContact CE1-CD1 4.07Å; F69-I196 HydrophobicContact CE2-CD1 4.11Å; F69-I196 HydrophobicContact CZ-CD1 3.87Å; V188-I196 HydrophobicContact CB-CD1 3.77Å; V188-I196 HydrophobicContact CB-CG1 4.01Å; V188-I196 HydrophobicContact CB-CG2 4.41Å; V188-I196 HydrophobicContact CG1-CD1 3.95Å; V188-I196 HydrophobicContact CG1-CG1 4.37Å; V188-I196 HydrophobicContact CG1-CG2 3.95Å; V188-I196 HydrophobicContact CG2-CD1 4.43Å; V188-I196 PolarHBondContact O-N 3.23Å; W190-I196 HydrophobicContact CB-CG2 4.17Å; W190-I196 HydrophobicContact CE3-CG2 4.03Å; I196-H200 HydrophobicContact CB-CB 4.12Å; I196-H200 HydrophobicContact CG2-CB 4.25Å; I196-D201 HydrophobicContact CD1-CB 4.19Å; I196-D201 HydrophobicContact CG1-CB 4.31Å; I196-V204 HydrophobicContact CD1-CG2 4.42Å; I196-K416 WeakPolarHBondContact O-CD 3.39Å
197	A	92.4	Very high	96	Very high	9 Å²	9	30 Å²	30	7%	0.074	16%	0.155	C	C	.	.			trans	-136.9	176.1	171.6	0	0	0	0	0	109.4	H200 D201 K416	A197-H200 WeakPolarHBondContact O-CB 3.2Å; A197-H200 PolarHBondContact O-N 3.27Å; A197-D201 VanDerWaalsContact C-CG 3.45Å; A197-D201 WeakPolarHBondContact CA-OD2 3.47Å; A197-D201 PolarHBondContact O-N 3.38Å; A197-K416 HydrophobicContact CB-CD 4.18Å
198	S	89.3	Confident	96	Very high	62 Å²	62	30.1 Å²	30.1	43%	0.434	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	131.8	177.7	-179.6	0	0	0	0	110.9	D201 K202	S198-D201 WeakPolarHBondContact CA-OD1 3.4Å; S198-D201 VanDerWaalsContact N-CG 3.29Å; S198-D201 PolarHBondContact N-OD1 2.83Å; S198-D201 VanDerWaalsContact N-OD1 3.12Å; S198-D201 PolarHBondContact N-OD2 3.23Å; S198-D201 VanDerWaalsContact N-OD2 3.15Å; S198-K202 PolarHBondContact OG-NZ 3.02Å
199	P	92.8	Very high	95.9	Very high	77 Å²	77	36.4 Å²	36.4	50%	0.5	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.7	-13	11.2	34.7	-36.5	0	0	0	115.7	D201 K202 E203	P199-D201 VanDerWaalsContact C-N 3.34Å; P199-D201 PolarHBondContact O-N 2.86Å; P199-K202 PolarHBondContact O-N 2.69Å; P199-E203 PolarHBondContact O-N 3.09Å
200	H	95.8	Very high	95.8	Very high	45 Å²	45	40.2 Å²	40.2	21%	0.208	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-38.8	-171.9	-60.7	-53.4	0	0	0	113.3	Y100 W190 I196 A197 E203 V204	Y100-H200 HydrophobicContact CE1-CB 4.02Å; Y100-H200 AromaticContact CE1-ND1 3.48Å; Y100-H200 WeakPolarHBondContact CE1-ND1 3.19Å; Y100-H200 AromaticContact CZ-ND1 3.59Å; Y100-H200 PolarHBondContact OH-ND1 3.41Å; W190-H200 AromaticContact CD1-NE2 3.97Å; W190-H200 AromaticContact CE2-CE1 3.64Å; W190-H200 AromaticContact CE2-NE2 3.76Å; W190-H200 AromaticContact CZ2-CE1 3.59Å; W190-H200 AromaticContact CZ2-ND1 3.79Å; W190-H200 AromaticContact NE1-CE1 3.79Å; W190-H200 AromaticContact NE1-NE2 3.56Å; I196-H200 HydrophobicContact CB-CB 4.12Å; I196-H200 HydrophobicContact CG2-CB 4.25Å; A197-H200 WeakPolarHBondContact O-CB 3.2Å; A197-H200 PolarHBondContact O-N 3.27Å; H200-E203 PolarHBondContact O-N 2.99Å; H200-V204 VanDerWaalsContact O-CG2 3.31Å; H200-V204 WeakPolarHBondContact O-CG2 3.43Å; H200-V204 PolarHBondContact O-N 2.91Å
201	D	94.3	Very high	95.7	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-44.2	178.2	55.8	14.1	0	0	0	113.2	F69 I196 A197 S198 P199 L205 K416	F69-D201 HydrophobicContact CB-CB 4.07Å; F69-D201 HydrophobicContact CD2-CB 3.84Å; F69-D201 WeakPolarHBondContact CD2-O 3.38Å; F69-D201 HydrophobicContact CG-CB 4.08Å; I196-D201 HydrophobicContact CD1-CB 4.19Å; I196-D201 HydrophobicContact CG1-CB 4.31Å; A197-D201 VanDerWaalsContact C-CG 3.45Å; A197-D201 WeakPolarHBondContact CA-OD2 3.47Å; A197-D201 PolarHBondContact O-N 3.38Å; S198-D201 WeakPolarHBondContact CA-OD1 3.4Å; S198-D201 VanDerWaalsContact N-CG 3.29Å; S198-D201 PolarHBondContact N-OD1 2.83Å; S198-D201 VanDerWaalsContact N-OD1 3.12Å; S198-D201 PolarHBondContact N-OD2 3.23Å; S198-D201 VanDerWaalsContact N-OD2 3.15Å; P199-D201 VanDerWaalsContact C-N 3.34Å; P199-D201 PolarHBondContact O-N 2.86Å; D201-L205 WeakPolarHBondContact O-CG 3.29Å; D201-L205 PolarHBondContact O-N 2.8Å; D201-L205 VanDerWaalsContact O-N 3.14Å; D201-K416 IonicContact OD2-NZ 3.76Å
202	K	94.5	Very high	95.7	Very high	128 Å²	128	41.9 Å²	41.9	56%	0.557	21%	0.209	S	C	*	.	H	α-helix	trans	-66.6	-42.4	175.8	-68.6	168.4	-174.8	160.9	0	112.7	S198 P199 L205 R206	S198-K202 PolarHBondContact OG-NZ 3.02Å; P199-K202 PolarHBondContact O-N 2.69Å; K202-L205 PolarHBondContact O-N 2.63Å; K202-R206 PolarHBondContact O-N 3.47Å
203	E	97.7	Very high	95.8	Very high	58 Å²	58	47.4 Å²	47.4	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-69.3	-36.6	-179.8	-70.9	-60.1	125.9	0	0	112.3	Y100 P199 H200 R206 C207	Y100-E203 HydrophobicContact CD2-CB 3.65Å; Y100-E203 HydrophobicContact CE1-CB 4.21Å; Y100-E203 HydrophobicContact CE2-CB 3.25Å; Y100-E203 HydrophobicContact CE2-CG 3.82Å; Y100-E203 HydrophobicContact CG-CB 4.29Å; P199-E203 PolarHBondContact O-N 3.09Å; H200-E203 PolarHBondContact O-N 2.99Å; E203-R206 PolarHBondContact O-N 2.57Å; E203-R206 IonicContact OE1-NE 3.28Å; E203-R206 IonicContact OE2-CZ 3.43Å; E203-R206 VanDerWaalsContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 3.17Å; E203-R206 PolarHBondContact OE2-NE 2.82Å; E203-R206 IonicContact OE2-NH2 2.73Å; E203-R206 PolarHBondContact OE2-NH2 2.81Å; E203-C207 WeakPolarHBondContact O-CB 3.41Å; E203-C207 PolarHBondContact O-N 2.37Å; E203-C207 PolarHBondContact O-SG 3.41Å; E203-C207 VanDerWaalsContact O-SG 3.34Å
204	V	97.8	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-45.9	170.3	172	0	0	0	0	110.4	F69 L97 Y100 I196 H200 R206 C207 I208	F69-V204 HydrophobicContact CE2-CB 4.02Å; F69-V204 HydrophobicContact CE2-CG1 3.79Å; F69-V204 HydrophobicContact CZ-CG1 3.93Å; L97-V204 HydrophobicContact CB-CG1 4.4Å; L97-V204 HydrophobicContact CD1-CG2 3.97Å; Y100-V204 HydrophobicContact CD1-CG2 3.55Å; Y100-V204 HydrophobicContact CE1-CG2 4.3Å; Y100-V204 HydrophobicContact CG-CG2 4.1Å; I196-V204 HydrophobicContact CD1-CG2 4.42Å; H200-V204 VanDerWaalsContact O-CG2 3.31Å; H200-V204 WeakPolarHBondContact O-CG2 3.43Å; H200-V204 PolarHBondContact O-N 2.91Å; V204-R206 PolarHBondContact O-N 2.92Å; V204-C207 CarbonylContact O-C 3.58Å; V204-C207 PolarHBondContact O-N 3.2Å; V204-I208 HydrophobicContact CG1-CD1 4Å; V204-I208 HydrophobicContact CG1-CG1 4.41Å; V204-I208 VanDerWaalsContact O-CG1 3.29Å; V204-I208 WeakPolarHBondContact O-CG1 3.29Å; V204-I208 PolarHBondContact O-N 2.99Å
205	L	96.3	Very high	95.9	Very high	44 Å²	44	51.1 Å²	51.1	23%	0.23	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-44.4	176.2	-73.3	167.3	0	0	0	112.5	F69 L74 D201 K202 C207 I208 E209	F69-L205 HydrophobicContact CD2-CD1 3.85Å; F69-L205 HydrophobicContact CD2-CD2 4.05Å; F69-L205 HydrophobicContact CD2-CG 3.64Å; F69-L205 HydrophobicContact CE2-CD2 4.19Å; F69-L205 HydrophobicContact CE2-CG 3.91Å; L74-L205 HydrophobicContact CD2-CD2 4.26Å; D201-L205 WeakPolarHBondContact O-CG 3.29Å; D201-L205 PolarHBondContact O-N 2.8Å; D201-L205 VanDerWaalsContact O-N 3.14Å; K202-L205 PolarHBondContact O-N 2.63Å; L205-C207 VanDerWaalsContact C-N 3.34Å; L205-C207 PolarHBondContact O-N 3.15Å; L205-I208 HydrophobicContact CD2-CD1 4.43Å; L205-I208 WeakPolarHBondContact O-CB 3.42Å; L205-I208 PolarHBondContact O-N 2.94Å; L205-I208 VanDerWaalsContact O-N 3.08Å; L205-E209 PolarHBondContact O-N 3.16Å
206	R	97.6	Very high	95.8	Very high	99 Å²	99	52.8 Å²	52.8	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-58.2	-45.6	174.5	-176.2	176.5	70.6	96.4	-13	111.5	K202 E203 V204 I208 E209 E210	K202-R206 PolarHBondContact O-N 3.47Å; E203-R206 PolarHBondContact O-N 2.57Å; E203-R206 IonicContact OE1-NE 3.28Å; E203-R206 IonicContact OE2-CZ 3.43Å; E203-R206 VanDerWaalsContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 3.17Å; E203-R206 PolarHBondContact OE2-NE 2.82Å; E203-R206 IonicContact OE2-NH2 2.73Å; E203-R206 PolarHBondContact OE2-NH2 2.81Å; V204-R206 PolarHBondContact O-N 2.92Å; R206-I208 VanDerWaalsContact C-N 3.3Å; R206-I208 PolarHBondContact O-N 2.94Å; R206-E209 PolarHBondContact O-N 3.39Å; R206-E210 WeakPolarHBondContact CG-OE1 3.35Å; R206-E210 IonicContact CZ-OE1 2.89Å; R206-E210 IonicContact NH1-OE1 2.7Å; R206-E210 PolarHBondContact NH1-OE1 2.79Å; R206-E210 IonicContact NH1-OE2 3.64Å; R206-E210 WeakPolarHBondContact O-CG 3.27Å; R206-E210 PolarHBondContact O-N 3.15Å
207	C	98.2	Very high	95.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-31.9	174.9	-71.2	0	0	0	0	113.1	G96 A99 R103 E203 V204 L205 E210 Q211	G96-C207 WeakPolarHBondContact O-CB 3.47Å; A99-C207 HydrophobicContact CB-CB 4.23Å; R103-C207 PolarHBondContact NH1-SG 3.04Å; E203-C207 WeakPolarHBondContact O-CB 3.41Å; E203-C207 PolarHBondContact O-N 2.37Å; E203-C207 PolarHBondContact O-SG 3.41Å; E203-C207 VanDerWaalsContact O-SG 3.34Å; V204-C207 CarbonylContact O-C 3.58Å; V204-C207 PolarHBondContact O-N 3.2Å; L205-C207 VanDerWaalsContact C-N 3.34Å; L205-C207 PolarHBondContact O-N 3.15Å; C207-E210 PolarHBondContact O-N 3.29Å; C207-Q211 VanDerWaalsContact O-CB 3.27Å; C207-Q211 WeakPolarHBondContact O-CB 3.43Å; C207-Q211 WeakPolarHBondContact O-CG 3.37Å; C207-Q211 PolarHBondContact O-N 3.16Å; C207-Q211 VanDerWaalsContact O-N 3.12Å
208	I	97.6	Very high	95.7	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-43.5	174	-66.1	168.5	0	0	0	110.4	Q92 V204 L205 R206 E210 Q211 L212	Q92-I208 HydrophobicContact CB-CG2 4.34Å; V204-I208 HydrophobicContact CG1-CD1 4Å; V204-I208 HydrophobicContact CG1-CG1 4.41Å; V204-I208 VanDerWaalsContact O-CG1 3.29Å; V204-I208 WeakPolarHBondContact O-CG1 3.29Å; V204-I208 PolarHBondContact O-N 2.99Å; L205-I208 HydrophobicContact CD2-CD1 4.43Å; L205-I208 WeakPolarHBondContact O-CB 3.42Å; L205-I208 PolarHBondContact O-N 2.94Å; L205-I208 VanDerWaalsContact O-N 3.08Å; R206-I208 VanDerWaalsContact C-N 3.3Å; R206-I208 PolarHBondContact O-N 2.94Å; I208-E210 VanDerWaalsContact C-N 3.3Å; I208-E210 PolarHBondContact O-N 2.82Å; I208-Q211 CarbonylContact O-C 3.58Å; I208-Q211 PolarHBondContact O-N 3.01Å; I208-Q211 VanDerWaalsContact O-N 3.12Å; I208-L212 WeakPolarHBondContact O-CD2 3.32Å; I208-L212 PolarHBondContact O-N 3.14Å
209	E	96.4	Very high	96	Very high	131 Å²	131	54.6 Å²	54.6	61%	0.612	28%	0.278	S	S	*	.	H	α-helix	trans	-66.6	-31.2	176.3	-66.5	-176.6	156.6	0	0	112.6	L205 R206 Q211	L205-E209 PolarHBondContact O-N 3.16Å; R206-E209 PolarHBondContact O-N 3.39Å; E209-Q211 VanDerWaalsContact C-N 3.31Å
210	E	97.3	Very high	96.1	Very high	80 Å²	80	52.2 Å²	52.2	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-72.9	-17.9	171.5	-72.2	169.9	-169.9	0	0	113.4	R103 R206 C207 I208	R103-E210 IonicContact CZ-OE2 3.86Å; R103-E210 IonicContact NH1-OE2 2.71Å; R103-E210 PolarHBondContact NH1-OE2 3.3Å; R103-E210 IonicContact NH2-OE2 3.67Å; R103-E210 PolarHBondContact NH2-OE2 2.84Å; R206-E210 WeakPolarHBondContact CG-OE1 3.35Å; R206-E210 IonicContact CZ-OE1 2.89Å; R206-E210 IonicContact NH1-OE1 2.7Å; R206-E210 PolarHBondContact NH1-OE1 2.79Å; R206-E210 IonicContact NH1-OE2 3.64Å; R206-E210 WeakPolarHBondContact O-CG 3.27Å; R206-E210 PolarHBondContact O-N 3.15Å; C207-E210 PolarHBondContact O-N 3.29Å; I208-E210 VanDerWaalsContact C-N 3.3Å; I208-E210 PolarHBondContact O-N 2.82Å
211	Q	96.3	Very high	96.1	Very high	57 Å²	57	52.2 Å²	52.2	27%	0.266	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	47.4	-168.9	-56.7	-63	-59.6	0	0	112.6	Q95 A99 C207 I208 E209 W215	Q95-Q211 HydrophobicContact CB-CB 4.04Å; Q95-Q211 PolarHBondContact NE2-O 2.73Å; A99-Q211 HydrophobicContact CB-CG 4.13Å; C207-Q211 VanDerWaalsContact O-CB 3.27Å; C207-Q211 WeakPolarHBondContact O-CB 3.43Å; C207-Q211 WeakPolarHBondContact O-CG 3.37Å; C207-Q211 PolarHBondContact O-N 3.16Å; C207-Q211 VanDerWaalsContact O-N 3.12Å; I208-Q211 CarbonylContact O-C 3.58Å; I208-Q211 PolarHBondContact O-N 3.01Å; I208-Q211 VanDerWaalsContact O-N 3.12Å; E209-Q211 VanDerWaalsContact C-N 3.31Å; Q211-W215 HydrophobicContact CG-CZ2 4.36Å
212	L	95.6	Very high	96	Very high	45 Å²	45	53.8 Å²	53.8	24%	0.236	27%	0.268	C	S	.	.			trans	-75.3	-33.3	-175.2	-67.8	174.1	0	0	0	114.9	W37 R66 Q92 I208	W37-L212 HydrophobicContact CH2-CB 3.86Å; W37-L212 HydrophobicContact CZ3-CB 4.1Å; R66-L212 VanDerWaalsContact CZ-CD2 3.47Å; Q92-L212 VanDerWaalsContact CG-O 3.32Å; Q92-L212 WeakPolarHBondContact CG-O 3.41Å; Q92-L212 PolarHBondContact NE2-O 3.2Å; I208-L212 WeakPolarHBondContact O-CD2 3.32Å; I208-L212 PolarHBondContact O-N 3.14Å
213	E	96.8	Very high	96	Very high	128 Å²	128	53.2 Å²	53.2	60%	0.598	27%	0.267	S	S	*	.	S	Bend	trans	-79.3	131.1	178.8	-176.4	160.7	-156.8	0	0	110.3	W37 Q95 W215	W37-E213 HydrophobicContact CZ2-CB 4.35Å; Q95-E213 PolarHBondContact NE2-O 2.93Å; E213-W215 PolarHBondContact O-N 3.22Å
214	P	97.5	Very high	95.9	Very high	20 Å²	20	52 Å²	52	13%	0.13	26%	0.262	C	S	.	.			trans	-59.6	121.5	174.8	-25.5	35.5	0	0	0	111.6	W37 L88 I91 S216 W220	W37-P214 HydrophobicContact CB-CG 4.41Å; L88-P214 HydrophobicContact CD1-CG 3.6Å; I91-P214 HydrophobicContact CG2-CB 4.28Å; P214-S216 VanDerWaalsContact C-N 3.27Å; P214-S216 PolarHBondContact O-N 2.95Å; P214-W220 HydrophobicContact CG-CZ2 4.1Å
215	W	97.2	Very high	95.7	Very high	57 Å²	57	52.1 Å²	52.1	22%	0.216	26%	0.263	C	S	.	.			trans	-62.1	-29.1	-168.4	-65.1	-32.3	0	0	0	115.1	Q95 H98 V139 R143 Q211 E213	Q95-W215 HydrophobicContact CB-CD2 4.32Å; Q95-W215 HydrophobicContact CB-CE3 4.5Å; Q95-W215 HydrophobicContact CB-CH2 3.76Å; Q95-W215 HydrophobicContact CB-CZ2 3.53Å; Q95-W215 HydrophobicContact CB-CZ3 4.24Å; Q95-W215 HydrophobicContact CG-CD2 3.66Å; Q95-W215 HydrophobicContact CG-CE3 3.72Å; Q95-W215 HydrophobicContact CG-CG 4.36Å; Q95-W215 HydrophobicContact CG-CH2 3.86Å; Q95-W215 HydrophobicContact CG-CZ2 3.8Å; Q95-W215 HydrophobicContact CG-CZ3 3.81Å; Q95-W215 WeakPolarHBondContact O-CH2 3.2Å; Q95-W215 VanDerWaalsContact OE1-CG 3.29Å; H98-W215 HydrophobicContact CB-CH2 3.94Å; H98-W215 HydrophobicContact CB-CZ3 4.48Å; H98-W215 AromaticContact CG-CH2 3.76Å; H98-W215 AromaticContact ND1-CH2 3.42Å; H98-W215 WeakPolarHBondContact ND1-CH2 3.38Å; V139-W215 HydrophobicContact CG1-CE3 4.32Å; V139-W215 HydrophobicContact CG1-CZ3 3.86Å; R143-W215 HydrophobicContact CG-CE3 3.9Å; R143-W215 HydrophobicContact CG-CH2 4.34Å; R143-W215 HydrophobicContact CG-CZ3 3.48Å; R143-W215 VanDerWaalsContact CG-CZ3 3.48Å; R143-W215 VanDerWaalsContact NH2-CD2 3.25Å; Q211-W215 HydrophobicContact CG-CZ2 4.36Å; E213-W215 PolarHBondContact O-N 3.22Å
216	S	94.3	Very high	95.5	Very high	42 Å²	42	55 Å²	55	29%	0.294	28%	0.279	S	S	.	.			trans	-161.3	171.6	-176.7	71.1	0	0	0	0	111.5	P214 S218 C219	P214-S216 VanDerWaalsContact C-N 3.27Å; P214-S216 PolarHBondContact O-N 2.95Å; S216-S218 PolarHBondContact O-N 3.01Å; S216-S218 WeakPolarHBondContact OG-CB 3.34Å; S216-S218 PolarHBondContact OG-N 3.28Å; S216-C219 PolarHBondContact O-N 3.36Å; S216-C219 PolarHBondContact OG-SG 3.22Å
217	A	93.3	Very high	95.4	Very high	61 Å²	61	57 Å²	57	50%	0.504	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-62.5	-32.1	168.3	0	0	0	0	0	112.4	C219 W220	A217-C219 PolarHBondContact O-N 2.96Å; A217-W220 WeakPolarHBondContact O-CB 3.49Å; A217-W220 PolarHBondContact O-N 2.94Å
218	S	94	Very high	95.4	Very high	51 Å²	51	58.3 Å²	58.3	36%	0.357	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-64.2	-23.2	-179	-46.2	0	0	0	0	113.5	S216 W220 D221	S216-S218 PolarHBondContact O-N 3.01Å; S216-S218 WeakPolarHBondContact OG-CB 3.34Å; S216-S218 PolarHBondContact OG-N 3.28Å; S218-W220 PolarHBondContact O-N 3.24Å; S218-D221 PolarHBondContact O-N 3.49Å; S218-D221 VanDerWaalsContact O-N 3.17Å
219	C	94.2	Very high	95.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-65.5	-17	173.1	-56.5	0	0	0	0	113.1	I91 V139 S216 A217	I91-C219 VanDerWaalsContact CD1-O 3.29Å; I91-C219 WeakPolarHBondContact CD1-O 3.38Å; I91-C219 WeakPolarHBondContact CG1-O 3.15Å; I91-C219 HydrophobicContact CG2-CB 4.06Å; V139-C219 HydrophobicContact CG2-CB 3.94Å; S216-C219 PolarHBondContact O-N 3.36Å; S216-C219 PolarHBondContact OG-SG 3.22Å; A217-C219 PolarHBondContact O-N 2.96Å
220	W	96.4	Very high	95.4	Very high	27 Å²	27	60 Å²	60	10%	0.102	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-104	-2	177.1	-63.6	85.8	0	0	0	113.2	W37 R39 D87 L88 I91 P214 A217 S218 E222	W37-W220 WeakPolarHBondContact O-CZ2 3.44Å; R39-W220 HydrophobicContact CB-CD2 3.96Å; R39-W220 HydrophobicContact CB-CE3 3.79Å; R39-W220 HydrophobicContact CB-CH2 4.02Å; R39-W220 HydrophobicContact CB-CZ2 4.2Å; R39-W220 HydrophobicContact CB-CZ3 3.8Å; R39-W220 HydrophobicContact CG-CD2 4.11Å; R39-W220 HydrophobicContact CG-CE3 4.42Å; R39-W220 HydrophobicContact CG-CH2 4.34Å; R39-W220 HydrophobicContact CG-CZ2 4.03Å; R39-W220 VanDerWaalsContact N-CH2 3.34Å; D87-W220 HydrophobicContact CB-CE3 4.31Å; D87-W220 HydrophobicContact CB-CH2 4.26Å; D87-W220 HydrophobicContact CB-CZ3 3.57Å; L88-W220 HydrophobicContact CB-CH2 3.95Å; L88-W220 HydrophobicContact CB-CZ2 4.41Å; L88-W220 HydrophobicContact CD1-CH2 4.38Å; L88-W220 HydrophobicContact CD1-CZ2 3.99Å; I91-W220 HydrophobicContact CD1-CD2 3.5Å; I91-W220 HydrophobicContact CD1-CE3 3.75Å; I91-W220 HydrophobicContact CD1-CG 3.98Å; I91-W220 HydrophobicContact CD1-CH2 4.16Å; I91-W220 HydrophobicContact CD1-CZ2 3.91Å; I91-W220 HydrophobicContact CD1-CZ3 4.09Å; P214-W220 HydrophobicContact CG-CZ2 4.1Å; A217-W220 WeakPolarHBondContact O-CB 3.49Å; A217-W220 PolarHBondContact O-N 2.94Å; S218-W220 PolarHBondContact O-N 3.24Å; W220-E222 PolarHBondContact O-N 3.41Å
221	D	94.8	Very high	95.5	Very high	45 Å²	45	59.2 Å²	59.2	24%	0.241	31%	0.311	C	S	.	.			trans	-88.2	90.1	-174	-179.6	13.7	0	0	0	110.8	A138 S218 E223 L224 R227	A138-D221 WeakPolarHBondContact CB-O 3.31Å; S218-D221 PolarHBondContact O-N 3.49Å; S218-D221 VanDerWaalsContact O-N 3.17Å; D221-E223 PolarHBondContact O-N 3.22Å; D221-E223 WeakPolarHBondContact OD1-CB 3.35Å; D221-E223 PolarHBondContact OD1-N 3.14Å; D221-E223 VanDerWaalsContact OD1-N 3.16Å; D221-L224 HydrophobicContact CB-CB 4.15Å; D221-L224 WeakPolarHBondContact O-CB 3.16Å; D221-L224 PolarHBondContact O-N 2.84Å; D221-L224 VanDerWaalsContact O-N 3.1Å; D221-L224 PolarHBondContact OD1-N 2.99Å; D221-R227 IonicContact OD1-NH2 3.62Å; D221-R227 PolarHBondContact OD1-NH2 2.93Å; D221-R227 IonicContact OD2-CZ 2.67Å; D221-R227 IonicContact OD2-NH2 3.04Å; D221-R227 PolarHBondContact OD2-NH2 3.32Å
222	E	93.3	Very high	95.6	Very high	50 Å²	50	59.7 Å²	59.7	23%	0.234	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.5	175.8	-71.8	166	-93	0	0	113.5	R131 K134 L135 W220 L224 V225	R131-E222 IonicContact CZ-OE1 3.23Å; R131-E222 IonicContact CZ-OE2 2.83Å; R131-E222 IonicContact NH1-OE1 3.88Å; R131-E222 PolarHBondContact NH1-OE1 2.91Å; R131-E222 IonicContact NH1-OE2 2.91Å; R131-E222 PolarHBondContact NH1-OE2 3.44Å; R131-E222 IonicContact NH2-OE1 3.59Å; R131-E222 PolarHBondContact NH2-OE1 3.14Å; K134-E222 HydrophobicContact CB-CB 4.23Å; K134-E222 HydrophobicContact CB-CG 4.1Å; K134-E222 HydrophobicContact CD-CB 4.12Å; L135-E222 HydrophobicContact CD2-CG 3.87Å; L135-E222 HydrophobicContact CG-CG 4.18Å; W220-E222 PolarHBondContact O-N 3.41Å; E222-L224 VanDerWaalsContact C-N 3.3Å; E222-V225 VanDerWaalsContact O-CG2 3.31Å; E222-V225 WeakPolarHBondContact O-CG2 3.31Å
223	E	94.4	Very high	95.7	Very high	116 Å²	116	60.4 Å²	60.4	54%	0.542	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.4	179.2	-56.2	178.1	169.1	0	0	112	D221 V225 D226 R227	D221-E223 PolarHBondContact O-N 3.22Å; D221-E223 WeakPolarHBondContact OD1-CB 3.35Å; D221-E223 PolarHBondContact OD1-N 3.14Å; D221-E223 VanDerWaalsContact OD1-N 3.16Å; E223-V225 PolarHBondContact O-N 2.95Å; E223-D226 PolarHBondContact O-N 2.93Å; E223-R227 VanDerWaalsContact CB-NH1 3.26Å; E223-R227 PolarHBondContact O-N 3.34Å; E223-R227 IonicContact OE2-CZ 3.01Å; E223-R227 IonicContact OE2-NH1 3.63Å; E223-R227 PolarHBondContact OE2-NH1 3.05Å; E223-R227 IonicContact OE2-NH2 2.77Å
224	L	94.8	Very high	95.8	Very high	32 Å²	32	54.4 Å²	54.4	17%	0.168	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-32.5	173.1	-176.9	57.8	0	0	0	111.6	A138 L141 D221 E222 D226 R227 S228	A138-L224 HydrophobicContact CB-CB 4.45Å; A138-L224 HydrophobicContact CB-CD2 4.33Å; L141-L224 HydrophobicContact CB-CD2 3.99Å; L141-L224 HydrophobicContact CB-CG 4.2Å; L141-L224 HydrophobicContact CD1-CG 4.4Å; D221-L224 HydrophobicContact CB-CB 4.15Å; D221-L224 WeakPolarHBondContact O-CB 3.16Å; D221-L224 PolarHBondContact O-N 2.84Å; D221-L224 VanDerWaalsContact O-N 3.1Å; D221-L224 PolarHBondContact OD1-N 2.99Å; E222-L224 VanDerWaalsContact C-N 3.3Å; L224-D226 PolarHBondContact O-N 2.95Å; L224-R227 PolarHBondContact O-N 2.87Å; L224-S228 VanDerWaalsContact O-CB 3.22Å; L224-S228 WeakPolarHBondContact O-CB 3.45Å; L224-S228 PolarHBondContact O-N 3.46Å
225	V	93.8	Very high	95.8	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-26.5	178.3	-43.5	0	0	0	0	112.8	K134 A137 L141 L149 E222 E223 R231	K134-V225 HydrophobicContact CB-CG1 4.28Å; K134-V225 HydrophobicContact CD-CG2 3.96Å; K134-V225 HydrophobicContact CG-CG1 4.43Å; K134-V225 HydrophobicContact CG-CG2 4.08Å; K134-V225 WeakPolarHBondContact O-CG1 3.45Å; A137-V225 HydrophobicContact CB-CG1 3.67Å; L141-V225 HydrophobicContact CD1-CB 4.39Å; L141-V225 HydrophobicContact CD1-CG1 4.23Å; L149-V225 HydrophobicContact CD2-CB 4.02Å; L149-V225 HydrophobicContact CD2-CG1 4.16Å; L149-V225 HydrophobicContact CD2-CG2 4.15Å; E222-V225 VanDerWaalsContact O-CG2 3.31Å; E222-V225 WeakPolarHBondContact O-CG2 3.31Å; E223-V225 PolarHBondContact O-N 2.95Å; V225-R231 WeakPolarHBondContact O-CB 3.41Å; V225-R231 WeakPolarHBondContact O-CD 3.35Å; V225-R231 WeakPolarHBondContact O-CG 3.35Å
226	D	92.8	Very high	95.9	Very high	105 Å²	105	57.7 Å²	57.7	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-91.9	-19.5	-178	-57.5	-54.3	0	0	0	111.3	K134 E223 L224	K134-D226 IonicContact NZ-OD1 2.66Å; K134-D226 IonicContact NZ-OD2 3.62Å; K134-D226 PolarHBondContact NZ-OD2 3.47Å; E223-D226 PolarHBondContact O-N 2.93Å; L224-D226 PolarHBondContact O-N 2.95Å
227	R	95.5	Very high	96.1	Very high	141 Å²	141	61.3 Å²	61.3	53%	0.532	33%	0.332	S	S	.	.	H	α-helix	trans	-98.8	-26.9	178.1	-68.7	-172	-74	-96.8	2.9	115	D221 E223 L224	D221-R227 IonicContact OD1-NH2 3.62Å; D221-R227 PolarHBondContact OD1-NH2 2.93Å; D221-R227 IonicContact OD2-CZ 2.67Å; D221-R227 IonicContact OD2-NH2 3.04Å; D221-R227 PolarHBondContact OD2-NH2 3.32Å; E223-R227 VanDerWaalsContact CB-NH1 3.26Å; E223-R227 PolarHBondContact O-N 3.34Å; E223-R227 IonicContact OE2-CZ 3.01Å; E223-R227 IonicContact OE2-NH1 3.63Å; E223-R227 PolarHBondContact OE2-NH1 3.05Å; E223-R227 IonicContact OE2-NH2 2.77Å; L224-R227 PolarHBondContact O-N 2.87Å
228	S	96.7	Very high	96.3	Very high	27 Å²	27	58.4 Å²	58.4	19%	0.189	31%	0.308	C	S	.	.			trans	-79.7	128.3	-171.9	-174.2	0	0	0	0	112.9	L224 L230 R231	L224-S228 VanDerWaalsContact O-CB 3.22Å; L224-S228 WeakPolarHBondContact O-CB 3.45Å; L224-S228 PolarHBondContact O-N 3.46Å; S228-L230 PolarHBondContact O-N 3.35Å; S228-L230 PolarHBondContact OG-N 3.05Å; S228-R231 PolarHBondContact O-N 2.91Å; S228-R231 VanDerWaalsContact O-N 3.16Å
229	S	97.3	Very high	96.6	Very high	120 Å²	120	57.2 Å²	57.2	84%	0.839	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.4	172.4	55	0	0	0	0	113.9	R231	S229-R231 VanDerWaalsContact C-N 3.32Å
230	L	98	Very high	96.8	Very high	53 Å²	53	60.1 Å²	60.1	28%	0.277	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.3	174.3	-64.8	178.6	0	0	0	113	L141 D144 P146 V147 S228	L141-L230 HydrophobicContact CD2-CB 3.66Å; D144-L230 HydrophobicContact CB-CD1 4.18Å; P146-L230 WeakPolarHBondContact CA-O 3.49Å; V147-L230 PolarHBondContact N-O 2.91Å; S228-L230 PolarHBondContact O-N 3.35Å; S228-L230 PolarHBondContact OG-N 3.05Å
231	R	98.1	Very high	96.9	Very high	63 Å²	63	59.7 Å²	59.7	24%	0.238	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.3	173.5	-175.9	-92.6	166.4	161.8	0.2	110.6	L141 V147 L149 V225 S228 S229 D233	L141-R231 HydrophobicContact CD1-CB 4.35Å; L141-R231 HydrophobicContact CD2-CB 4.42Å; V147-R231 CarbonylContact O-C 3.46Å; V147-R231 WeakPolarHBondContact O-CA 3.47Å; L149-R231 HydrophobicContact CB-CG 4.36Å; L149-R231 PolarHBondContact O-NH2 2.75Å; V225-R231 WeakPolarHBondContact O-CB 3.41Å; V225-R231 WeakPolarHBondContact O-CD 3.35Å; V225-R231 WeakPolarHBondContact O-CG 3.35Å; S228-R231 PolarHBondContact O-N 2.91Å; S228-R231 VanDerWaalsContact O-N 3.16Å; S229-R231 VanDerWaalsContact C-N 3.32Å; R231-D233 IonicContact NH2-OD1 2.75Å
232	T	98.3	Very high	97	Very high	68 Å²	68	57.6 Å²	57.6	42%	0.417	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.8	170.7	-62.2	0	0	0	0	109.8	V147 Y148 L149 P234	V147-T232 PolarHBondContact O-N 3.01Å; Y148-T232 WeakPolarHBondContact CA-O 3.21Å; Y148-T232 HydrophobicContact CD1-CG2 4.04Å; Y148-T232 HydrophobicContact CE1-CG2 4.31Å; L149-T232 PolarHBondContact N-O 2.74Å; T232-P234 WeakPolarHBondContact O-CD 3.47Å
233	D	98.4	Very high	97.3	Very high	60 Å²	60	55.8 Å²	55.8	32%	0.321	30%	0.299	S	S	.	.			trans	-95.3	110	166.7	-175	14.1	0	0	0	110.2	S151 R231 L235	S151-D233 WeakPolarHBondContact CB-OD2 3.41Å; S151-D233 PolarHBondContact N-OD1 3.41Å; S151-D233 VanDerWaalsContact OG-CG 3.28Å; S151-D233 PolarHBondContact OG-OD1 3.49Å; S151-D233 PolarHBondContact OG-OD2 2.9Å; R231-D233 IonicContact NH2-OD1 2.75Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 VanDerWaalsContact OD1-CB 3.3Å; D233-L235 WeakPolarHBondContact OD1-CB 3.5Å; D233-L235 PolarHBondContact OD1-N 2.68Å; D233-L235 VanDerWaalsContact OD1-N 3.1Å
234	P	98.4	Very high	97.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	30%	0.297	C	S	.	.			trans	-81.9	-8	178.8	35.1	-38	0	0	0	113.6	F150 L166 T232 T236 Q237 I238	F150-P234 HydrophobicContact CD1-CG 3.74Å; F150-P234 HydrophobicContact CD2-CG 4.22Å; F150-P234 HydrophobicContact CE1-CB 4.33Å; F150-P234 HydrophobicContact CE1-CG 3.74Å; F150-P234 HydrophobicContact CE2-CG 4.21Å; F150-P234 HydrophobicContact CG-CG 3.99Å; F150-P234 HydrophobicContact CZ-CG 3.98Å; L166-P234 HydrophobicContact CD1-CB 4.03Å; T232-P234 WeakPolarHBondContact O-CD 3.47Å; P234-T236 PolarHBondContact O-N 3.42Å; P234-Q237 PolarHBondContact O-N 2.84Å; P234-I238 HydrophobicContact CB-CG1 3.8Å; P234-I238 WeakPolarHBondContact O-CB 3.42Å; P234-I238 WeakPolarHBondContact O-CG1 3.47Å; P234-I238 PolarHBondContact O-N 3.12Å
235	L	98.6	Very high	97.6	Very high	30 Å²	30	55.5 Å²	55.5	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-52.2	-58.1	-162.3	-179.1	57.8	0	0	0	114.3	F150 S151 V154 D233 Q237 I238 N239	F150-L235 HydrophobicContact CD1-CB 3.92Å; F150-L235 HydrophobicContact CD1-CD1 3.86Å; F150-L235 HydrophobicContact CD1-CG 4.49Å; F150-L235 HydrophobicContact CE1-CD1 4.33Å; S151-L235 WeakPolarHBondContact OG-CD2 3.39Å; V154-L235 HydrophobicContact CG1-CD1 3.65Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 VanDerWaalsContact OD1-CB 3.3Å; D233-L235 WeakPolarHBondContact OD1-CB 3.5Å; D233-L235 PolarHBondContact OD1-N 2.68Å; D233-L235 VanDerWaalsContact OD1-N 3.1Å; L235-Q237 PolarHBondContact O-N 3.41Å; L235-I238 PolarHBondContact O-N 3.07Å; L235-N239 WeakPolarHBondContact O-CB 3.27Å; L235-N239 PolarHBondContact O-N 3.27Å
236	T	98.4	Very high	97.8	Very high	116 Å²	116	55.4 Å²	55.4	71%	0.712	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-43.6	-175.8	-54	0	0	0	0	112.2	P234 S240	P234-T236 PolarHBondContact O-N 3.42Å; T236-S240 PolarHBondContact O-N 3.22Å; T236-S240 VanDerWaalsContact O-N 3.09Å
237	Q	98.4	Very high	98	Very high	118 Å²	118	53.7 Å²	53.7	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-64.4	-50.9	179.9	-178.3	-174.3	5.8	0	0	110.9	P234 L235 S240 C241	P234-Q237 PolarHBondContact O-N 2.84Å; L235-Q237 PolarHBondContact O-N 3.41Å; Q237-S240 PolarHBondContact O-N 2.89Å; Q237-C241 WeakPolarHBondContact O-CB 3.4Å; Q237-C241 PolarHBondContact O-N 3.4Å; Q237-C241 PolarHBondContact O-SG 3.21Å
238	I	98.6	Very high	98.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-40	-178.5	-70.3	-57.2	0	0	0	111.4	F150 Y158 Y161 A162 R165 L166 P234 L235 C241 Y242	F150-I238 HydrophobicContact CE1-CB 4.16Å; F150-I238 HydrophobicContact CE1-CG2 4.11Å; F150-I238 HydrophobicContact CZ-CB 4.44Å; F150-I238 HydrophobicContact CZ-CG2 4.08Å; Y158-I238 HydrophobicContact CD1-CG2 3.97Å; Y158-I238 HydrophobicContact CE1-CG2 4.39Å; Y161-I238 HydrophobicContact CD1-CG2 3.85Å; Y161-I238 HydrophobicContact CE1-CG2 4.11Å; A162-I238 HydrophobicContact CB-CD1 3.77Å; A162-I238 HydrophobicContact CB-CG1 3.81Å; A162-I238 HydrophobicContact CB-CG2 4.13Å; R165-I238 HydrophobicContact CB-CD1 3.91Å; R165-I238 HydrophobicContact CG-CD1 4.47Å; L166-I238 HydrophobicContact CD1-CD1 4.29Å; L166-I238 HydrophobicContact CD1-CG1 4.49Å; L166-I238 HydrophobicContact CD2-CD1 4.35Å; L166-I238 HydrophobicContact CG-CD1 4.11Å; P234-I238 HydrophobicContact CB-CG1 3.8Å; P234-I238 WeakPolarHBondContact O-CB 3.42Å; P234-I238 WeakPolarHBondContact O-CG1 3.47Å; P234-I238 PolarHBondContact O-N 3.12Å; L235-I238 PolarHBondContact O-N 3.07Å; I238-C241 PolarHBondContact O-N 2.82Å; I238-Y242 VanDerWaalsContact O-CB 3.31Å; I238-Y242 WeakPolarHBondContact O-CB 3.42Å; I238-Y242 PolarHBondContact O-N 3.41Å
239	N	98.6	Very high	98.1	Very high	26 Å²	26	49.6 Å²	49.6	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-44.2	176.7	-175	77.4	0	0	0	112.1	Y158 L235 M243 F275 Q278	Y158-N239 HydrophobicContact CE1-CB 4.03Å; Y158-N239 PolarHBondContact OH-OD1 3.49Å; L235-N239 WeakPolarHBondContact O-CB 3.27Å; L235-N239 PolarHBondContact O-N 3.27Å; N239-M243 WeakPolarHBondContact O-CB 3.42Å; N239-M243 WeakPolarHBondContact O-CG 3.4Å; N239-M243 PolarHBondContact O-N 3.42Å; N239-F275 WeakPolarHBondContact OD1-CE1 3.23Å; N239-Q278 PolarHBondContact ND2-OE1 3.29Å
240	S	98.4	Very high	98.1	Very high	60 Å²	60	45 Å²	45	42%	0.42	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-54.2	173.3	-167.9	0	0	0	0	110.3	T236 Q237 Y242 M243 D244	T236-S240 PolarHBondContact O-N 3.22Å; T236-S240 VanDerWaalsContact O-N 3.09Å; Q237-S240 PolarHBondContact O-N 2.89Å; S240-Y242 VanDerWaalsContact C-N 3.31Å; S240-Y242 PolarHBondContact O-N 3.37Å; S240-M243 PolarHBondContact O-N 2.86Å; S240-M243 VanDerWaalsContact O-N 3.12Å; S240-D244 WeakPolarHBondContact O-CB 3.31Å; S240-D244 PolarHBondContact O-N 3.39Å; S240-D244 PolarHBondContact OG-OD2 3.48Å; S240-D244 VanDerWaalsContact OG-OD2 3.13Å
241	C	98.5	Very high	98	Very high	19 Å²	19	45.7 Å²	45.7	13%	0.128	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-44.1	-178.7	-70.1	0	0	0	0	112.7	Y161 R165 Q237 I238 D244 D245	Y161-C241 HydrophobicContact CE1-CB 4.19Å; Y161-C241 WeakPolarHBondContact OH-CB 3.46Å; Y161-C241 PolarHBondContact OH-O 3.08Å; R165-C241 PolarHBondContact NH2-SG 2.85Å; Q237-C241 WeakPolarHBondContact O-CB 3.4Å; Q237-C241 PolarHBondContact O-N 3.4Å; Q237-C241 PolarHBondContact O-SG 3.21Å; I238-C241 PolarHBondContact O-N 2.82Å; C241-D244 PolarHBondContact O-N 3.31Å; C241-D245 WeakPolarHBondContact O-CB 3.33Å; C241-D245 VanDerWaalsContact O-CG 3.25Å; C241-D245 PolarHBondContact O-N 2.69Å
242	Y	98.6	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-46	178.6	173.5	-89.2	0	0	0	111.1	Y158 Y161 I238 S240 D244 D245 L246 I447 D452 V454	Y158-Y242 HydrophobicContact CD2-CD2 4.43Å; Y158-Y242 HydrophobicContact CD2-CG 4.47Å; Y158-Y242 AromaticContact CE2-CD1 3.6Å; Y158-Y242 HydrophobicContact CE2-CD1 3.6Å; Y158-Y242 AromaticContact CE2-CD2 3.98Å; Y158-Y242 HydrophobicContact CE2-CD2 3.98Å; Y158-Y242 AromaticContact CE2-CE1 3.87Å; Y158-Y242 HydrophobicContact CE2-CE1 3.87Å; Y158-Y242 HydrophobicContact CE2-CE2 4.22Å; Y158-Y242 AromaticContact CE2-CG 3.67Å; Y158-Y242 HydrophobicContact CE2-CG 3.67Å; Y158-Y242 AromaticContact CZ-CD1 3.77Å; Y158-Y242 AromaticContact CZ-CG 3.94Å; Y158-Y242 VanDerWaalsContact OH-CD1 3.27Å; Y158-Y242 WeakPolarHBondContact OH-CD1 3.37Å; Y161-Y242 HydrophobicContact CD1-CD2 4.31Å; Y161-Y242 HydrophobicContact CD2-CD2 4.42Å; Y161-Y242 HydrophobicContact CE1-CD2 4.48Å; Y161-Y242 HydrophobicContact CG-CD2 4.29Å; Y161-Y242 PolarHBondContact OH-N 2.8Å; I238-Y242 VanDerWaalsContact O-CB 3.31Å; I238-Y242 WeakPolarHBondContact O-CB 3.42Å; I238-Y242 PolarHBondContact O-N 3.41Å; S240-Y242 VanDerWaalsContact C-N 3.31Å; S240-Y242 PolarHBondContact O-N 3.37Å; Y242-D244 VanDerWaalsContact C-N 3.32Å; Y242-D244 PolarHBondContact O-N 2.94Å; Y242-D245 PolarHBondContact O-N 3.35Å; Y242-L246 HydrophobicContact CE1-CD2 4.22Å; Y242-L246 VanDerWaalsContact O-CB 3.22Å; Y242-L246 WeakPolarHBondContact O-CB 3.17Å; Y242-L246 PolarHBondContact O-N 2.67Å; Y242-I447 HydrophobicContact CD2-CG2 4.32Å; Y242-I447 HydrophobicContact CE2-CG2 4.42Å; Y242-D452 VanDerWaalsContact OH-CG 3.23Å; Y242-D452 PolarHBondContact OH-OD1 3.36Å; Y242-D452 VanDerWaalsContact OH-OD1 3.11Å; Y242-D452 PolarHBondContact OH-OD2 3.46Å; Y242-V454 HydrophobicContact CE1-CG1 4.32Å
243	M	98.3	Very high	97.9	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-32.6	178.8	-67.4	-67.3	164.1	0	0	112.4	Y158 N239 S240 L246 F275 Q278 V282	Y158-M243 WeakPolarHBondContact OH-CE 3.35Å; N239-M243 WeakPolarHBondContact O-CB 3.42Å; N239-M243 WeakPolarHBondContact O-CG 3.4Å; N239-M243 PolarHBondContact O-N 3.42Å; S240-M243 PolarHBondContact O-N 2.86Å; S240-M243 VanDerWaalsContact O-N 3.12Å; M243-L246 HydrophobicContact SD-CD2 4.2Å; M243-F275 HydrophobicContact CE-CB 4.34Å; M243-F275 HydrophobicContact CE-CD1 4.3Å; M243-Q278 HydrophobicContact CE-CB 3.52Å; M243-Q278 HydrophobicContact CG-CB 4.44Å; M243-Q278 HydrophobicContact SD-CB 3.64Å; M243-V282 HydrophobicContact CB-CG2 3.86Å; M243-V282 HydrophobicContact CG-CG2 4.39Å; M243-V282 WeakPolarHBondContact O-CG1 3.37Å; M243-V282 HydrophobicContact SD-CG2 3.94Å
244	D	98.4	Very high	97.9	Very high	92 Å²	92	50.3 Å²	50.3	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-49.9	173.5	-65.1	-39.4	0	0	0	110.6	S240 C241 Y242 L246 T247	S240-D244 WeakPolarHBondContact O-CB 3.31Å; S240-D244 PolarHBondContact O-N 3.39Å; S240-D244 PolarHBondContact OG-OD2 3.48Å; S240-D244 VanDerWaalsContact OG-OD2 3.13Å; C241-D244 PolarHBondContact O-N 3.31Å; Y242-D244 VanDerWaalsContact C-N 3.32Å; Y242-D244 PolarHBondContact O-N 2.94Å; D244-L246 PolarHBondContact O-N 2.77Å; D244-T247 WeakPolarHBondContact O-CB 3.36Å; D244-T247 WeakPolarHBondContact O-CG2 3.44Å; D244-T247 PolarHBondContact O-N 2.9Å; D244-T247 VanDerWaalsContact O-N 3.15Å; D244-T247 PolarHBondContact O-OG1 2.83Å
245	D	98.2	Very high	97.8	Very high	50 Å²	50	52 Å²	52	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-33.2	176.4	-71	-1.9	0	0	0	111.8	Y161 R165 C241 Y242 T247 S248 I447	Y161-D245 VanDerWaalsContact CE2-OD2 3.23Å; Y161-D245 WeakPolarHBondContact CE2-OD2 3.44Å; Y161-D245 VanDerWaalsContact OH-CG 3.3Å; Y161-D245 PolarHBondContact OH-OD2 3.32Å; R165-D245 IonicContact CZ-OD1 3.83Å; R165-D245 IonicContact CZ-OD2 3.58Å; R165-D245 IonicContact NH1-OD1 3.98Å; R165-D245 PolarHBondContact NH1-OD1 3.33Å; R165-D245 IonicContact NH1-OD2 2.68Å; R165-D245 PolarHBondContact NH1-OD2 3.02Å; C241-D245 WeakPolarHBondContact O-CB 3.33Å; C241-D245 VanDerWaalsContact O-CG 3.25Å; C241-D245 PolarHBondContact O-N 2.69Å; Y242-D245 PolarHBondContact O-N 3.35Å; D245-T247 PolarHBondContact O-N 2.98Å; D245-S248 VanDerWaalsContact O-CB 3.32Å; D245-S248 WeakPolarHBondContact O-CB 3.46Å; D245-S248 PolarHBondContact O-N 3.46Å; D245-S248 PolarHBondContact O-OG 3.21Å; D245-I447 HydrophobicContact CB-CD1 4.43Å; D245-I447 HydrophobicContact CB-CG2 4.21Å
246	L	97.4	Very high	97.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.6	-22.4	178.5	-169.7	68.2	0	0	0	113	Y242 M243 D244 S248 L249 A279 V282 F283 I447 S455 V458	Y242-L246 HydrophobicContact CE1-CD2 4.22Å; Y242-L246 VanDerWaalsContact O-CB 3.22Å; Y242-L246 WeakPolarHBondContact O-CB 3.17Å; Y242-L246 PolarHBondContact O-N 2.67Å; M243-L246 HydrophobicContact SD-CD2 4.2Å; D244-L246 PolarHBondContact O-N 2.77Å; L246-S248 PolarHBondContact O-N 3.04Å; L246-L249 HydrophobicContact CD1-CD1 4.01Å; L246-L249 PolarHBondContact O-N 3.45Å; L246-L249 VanDerWaalsContact O-N 3.1Å; L246-A279 HydrophobicContact CD2-CB 3.6Å; L246-V282 HydrophobicContact CB-CG1 4.43Å; L246-F283 HydrophobicContact CG-CE2 4.09Å; L246-I447 HydrophobicContact CB-CD1 4.45Å; L246-I447 HydrophobicContact CD1-CD1 4.13Å; L246-S455 VanDerWaalsContact CD1-CB 3.4Å; L246-V458 HydrophobicContact CD2-CG1 4.45Å
247	T	97.1	Very high	97.7	Very high	69 Å²	69	48.6 Å²	48.6	42%	0.423	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.1	172	63.5	0	0	0	0	113.1	D244 D245 L249 C250 V282	D244-T247 WeakPolarHBondContact O-CB 3.36Å; D244-T247 WeakPolarHBondContact O-CG2 3.44Å; D244-T247 PolarHBondContact O-N 2.9Å; D244-T247 VanDerWaalsContact O-N 3.15Å; D244-T247 PolarHBondContact O-OG1 2.83Å; D245-T247 PolarHBondContact O-N 2.98Å; T247-L249 PolarHBondContact O-N 2.92Å; T247-L249 VanDerWaalsContact O-N 3.15Å; T247-C250 PolarHBondContact O-N 3.49Å; T247-C250 VanDerWaalsContact O-N 3.08Å; T247-V282 HydrophobicContact CG2-CG1 3.64Å
248	S	96.6	Very high	97.6	Very high	77 Å²	77	47.2 Å²	47.2	54%	0.538	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-66.1	-10.8	176.8	67.5	0	0	0	0	114.7	D245 L246	D245-S248 VanDerWaalsContact O-CB 3.32Å; D245-S248 WeakPolarHBondContact O-CB 3.46Å; D245-S248 PolarHBondContact O-N 3.46Å; D245-S248 PolarHBondContact O-OG 3.21Å; L246-S248 PolarHBondContact O-N 3.04Å
249	L	97.3	Very high	97.4	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-104.3	-1.4	175.4	-53	-175.4	0	0	0	113.2	L246 T247 F251 F283 M368 C444 I447 V459	L246-L249 HydrophobicContact CD1-CD1 4.01Å; L246-L249 PolarHBondContact O-N 3.45Å; L246-L249 VanDerWaalsContact O-N 3.1Å; T247-L249 PolarHBondContact O-N 2.92Å; T247-L249 VanDerWaalsContact O-N 3.15Å; L249-F251 WeakPolarHBondContact O-CD2 3.35Å; L249-F251 WeakPolarHBondContact O-CE2 3.44Å; L249-F283 HydrophobicContact CB-CZ 3.9Å; L249-F283 WeakPolarHBondContact O-CE1 3.49Å; L249-F283 VanDerWaalsContact O-CZ 3.24Å; L249-F283 WeakPolarHBondContact O-CZ 3.23Å; L249-M368 HydrophobicContact CD2-CE 4.16Å; L249-C444 HydrophobicContact CD1-CB 4.03Å; L249-C444 WeakPolarHBondContact CD1-O 3.39Å; L249-I447 HydrophobicContact CD1-CD1 3.85Å; L249-I447 HydrophobicContact CG-CD1 4.01Å; L249-V459 HydrophobicContact CB-CG2 4.17Å; L249-V459 HydrophobicContact CD1-CG2 4.34Å
250	C	97.8	Very high	97.2	Very high	24 Å²	24	52.7 Å²	52.7	16%	0.162	30%	0.304	C	S	.	.			trans	-94.5	107.5	178.3	-177	0	0	0	0	109.9	T247 F283 E462	T247-C250 PolarHBondContact O-N 3.49Å; T247-C250 VanDerWaalsContact O-N 3.08Å; C250-F283 HydrophobicContact CB-CD1 3.87Å; C250-F283 HydrophobicContact CB-CD2 3.84Å; C250-F283 HydrophobicContact CB-CE1 3.86Å; C250-F283 HydrophobicContact CB-CE2 3.77Å; C250-F283 HydrophobicContact CB-CG 3.88Å; C250-F283 HydrophobicContact CB-CZ 3.81Å; C250-E462 PolarHBondContact SG-OE2 3.41Å
251	F	96.8	Very high	97.1	Very high	67 Å²	67	51.1 Å²	51.1	29%	0.294	29%	0.29	S	S	.	.	S	Bend	trans	-96.4	-26.4	-176.8	-54.2	-71.8	0	0	0	112.9	L249 W367 M368 N371 E462	L249-F251 WeakPolarHBondContact O-CD2 3.35Å; L249-F251 WeakPolarHBondContact O-CE2 3.44Å; F251-W367 HydrophobicContact CD2-CZ2 4.29Å; F251-W367 AromaticContact CD2-NE1 3.94Å; F251-M368 HydrophobicContact CE2-CE 4.34Å; F251-M368 HydrophobicContact CZ-CE 4.19Å; F251-N371 HydrophobicContact CB-CB 4.18Å; F251-N371 VanDerWaalsContact CB-OD1 3.32Å; F251-N371 WeakPolarHBondContact CB-OD1 3.43Å; F251-N371 HydrophobicContact CD1-CB 3.6Å; F251-N371 HydrophobicContact CD2-CB 3.57Å; F251-N371 VanDerWaalsContact CD2-CG 3.43Å; F251-N371 HydrophobicContact CE1-CB 3.76Å; F251-N371 HydrophobicContact CE2-CB 3.72Å; F251-N371 HydrophobicContact CG-CB 3.5Å; F251-N371 VanDerWaalsContact CG-CB 3.5Å; F251-N371 HydrophobicContact CZ-CB 3.82Å; F251-E462 WeakPolarHBondContact CD2-OE1 3.33Å; F251-E462 VanDerWaalsContact N-CD 3.34Å; F251-E462 PolarHBondContact N-OE1 2.86Å; F251-E462 PolarHBondContact N-OE2 2.89Å; F251-E462 VanDerWaalsContact N-OE2 3.08Å
252	H	96.6	Very high	97	Very high	38 Å²	38	54.8 Å²	54.8	18%	0.176	30%	0.304	C	S	.	.			trans	-130.2	44.3	-169.6	-59.4	-83.2	0	0	0	113.3	D254 L255 N256 W367 N371 E462 Y466	H252-D254 VanDerWaalsContact C-N 3.32Å; H252-D254 PolarHBondContact O-N 3.04Å; H252-D254 VanDerWaalsContact O-N 3.13Å; H252-L255 HydrophobicContact CB-CB 4.03Å; H252-L255 HydrophobicContact CB-CD1 4.39Å; H252-L255 WeakPolarHBondContact O-CA 3.39Å; H252-L255 VanDerWaalsContact O-CB 3.31Å; H252-L255 WeakPolarHBondContact O-CB 3.49Å; H252-L255 PolarHBondContact O-N 3.03Å; H252-N256 VanDerWaalsContact O-CG 3.27Å; H252-N256 PolarHBondContact O-N 2.84Å; H252-N256 PolarHBondContact O-OD1 2.75Å; H252-W367 AromaticContact CD2-CH2 3.47Å; H252-W367 VanDerWaalsContact CD2-CH2 3.47Å; H252-W367 WeakPolarHBondContact CD2-CH2 3.1Å; H252-W367 AromaticContact CD2-CZ2 3.7Å; H252-W367 AromaticContact NE2-CH2 3.7Å; H252-N371 PolarHBondContact NE2-OD1 2.71Å; H252-E462 HydrophobicContact CB-CG 4.24Å; H252-E462 PolarHBondContact N-OE2 3.48Å; H252-Y466 AromaticContact CD2-CD2 3.96Å; H252-Y466 AromaticContact CE1-CD2 3.81Å; H252-Y466 AromaticContact CE1-CE2 3.56Å; H252-Y466 AromaticContact CG-CD2 3.95Å; H252-Y466 AromaticContact ND1-CD2 3.82Å; H252-Y466 AromaticContact ND1-CE2 3.91Å; H252-Y466 AromaticContact NE2-CD2 3.88Å; H252-Y466 AromaticContact NE2-CE2 3.86Å
253	R	97.2	Very high	97	Very high	112 Å²	112	55 Å²	55	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-49.1	-41.9	-173.9	-163.2	-170	-176.3	95.1	17.1	115.5	N256 S257 V282	R253-N256 WeakPolarHBondContact O-CB 3.29Å; R253-N256 PolarHBondContact O-N 2.86Å; R253-S257 WeakPolarHBondContact O-CB 3.18Å; R253-S257 PolarHBondContact O-N 2.91Å; R253-S257 PolarHBondContact O-OG 3.28Å; R253-V282 PolarHBondContact NH1-O 3.43Å; R253-V282 PolarHBondContact NH2-O 3.31Å
254	D	96.9	Very high	97.1	Very high	137 Å²	137	54.4 Å²	54.4	73%	0.733	30%	0.302	S	S	*	.	H	α-helix	trans	-71.2	-34.2	-178.5	-66	-22.6	0	0	0	112.1	H252 S258	H252-D254 VanDerWaalsContact C-N 3.32Å; H252-D254 PolarHBondContact O-N 3.04Å; H252-D254 VanDerWaalsContact O-N 3.13Å; D254-S258 PolarHBondContact O-N 3.22Å; D254-S258 PolarHBondContact O-OG 2.84Å
255	L	97.1	Very high	97.1	Very high	38 Å²	38	50.1 Å²	50.1	20%	0.199	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-44.2	172.7	-172.9	162.9	0	0	0	110.1	H252 S257 S258 C259 A465 Y466 T469	H252-L255 HydrophobicContact CB-CB 4.03Å; H252-L255 HydrophobicContact CB-CD1 4.39Å; H252-L255 WeakPolarHBondContact O-CA 3.39Å; H252-L255 VanDerWaalsContact O-CB 3.31Å; H252-L255 WeakPolarHBondContact O-CB 3.49Å; H252-L255 PolarHBondContact O-N 3.03Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 2.6Å; L255-S258 CarbonylContact O-C 3.54Å; L255-S258 PolarHBondContact O-N 3.06Å; L255-S258 VanDerWaalsContact O-N 3.16Å; L255-S258 PolarHBondContact O-OG 3.23Å; L255-C259 PolarHBondContact O-N 2.93Å; L255-A465 HydrophobicContact CD2-CB 3.6Å; L255-Y466 HydrophobicContact CD1-CD2 4.12Å; L255-T469 HydrophobicContact CD1-CG2 3.66Å; L255-T469 HydrophobicContact CD2-CG2 4.17Å; L255-T469 HydrophobicContact CG-CG2 3.91Å
256	N	98	Very high	97.1	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-42.9	175.8	-60.1	-17.5	0	0	0	111.7	H252 R253 S258 C259 F283 F285 E462	H252-N256 VanDerWaalsContact O-CG 3.27Å; H252-N256 PolarHBondContact O-N 2.84Å; H252-N256 PolarHBondContact O-OD1 2.75Å; R253-N256 WeakPolarHBondContact O-CB 3.29Å; R253-N256 PolarHBondContact O-N 2.86Å; N256-S258 PolarHBondContact O-N 2.97Å; N256-C259 WeakPolarHBondContact O-CB 3.42Å; N256-C259 PolarHBondContact O-N 3.13Å; N256-C259 VanDerWaalsContact O-N 3.14Å; N256-F283 WeakPolarHBondContact CB-O 3.29Å; N256-F283 PolarHBondContact ND2-O 3.42Å; N256-F285 HydrophobicContact CB-CD1 3.95Å; N256-F285 HydrophobicContact CB-CD2 3.93Å; N256-F285 HydrophobicContact CB-CE1 3.67Å; N256-F285 HydrophobicContact CB-CE2 3.64Å; N256-F285 HydrophobicContact CB-CG 4.07Å; N256-F285 HydrophobicContact CB-CZ 3.51Å; N256-F285 WeakPolarHBondContact O-CD1 3.34Å; N256-F285 WeakPolarHBondContact OD1-CZ 3.43Å; N256-E462 PolarHBondContact ND2-OE2 3.47Å; N256-E462 WeakPolarHBondContact OD1-CG 3.38Å
257	S	97.3	Very high	97	Very high	71 Å²	71	47.7 Å²	47.7	50%	0.497	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-21.1	-179.9	-54.8	0	0	0	0	113.5	R253 L255 G284	R253-S257 WeakPolarHBondContact O-CB 3.18Å; R253-S257 PolarHBondContact O-N 2.91Å; R253-S257 PolarHBondContact O-OG 3.28Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 2.6Å; S257-G284 WeakPolarHBondContact CA-O 3.46Å
258	S	95.8	Very high	96.9	Very high	90 Å²	90	44.4 Å²	44.4	63%	0.629	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	4.3	175.3	53.1	0	0	0	0	113.3	D254 L255 N256	D254-S258 PolarHBondContact O-N 3.22Å; D254-S258 PolarHBondContact O-OG 2.84Å; L255-S258 CarbonylContact O-C 3.54Å; L255-S258 PolarHBondContact O-N 3.06Å; L255-S258 VanDerWaalsContact O-N 3.16Å; L255-S258 PolarHBondContact O-OG 3.23Å; N256-S258 PolarHBondContact O-N 2.97Å
259	C	95.2	Very high	96.9	Very high	30 Å²	30	42 Å²	42	20%	0.203	23%	0.226	C	C	.	.			trans	-68.9	139.3	-177.5	-171.5	0	0	0	0	112.1	L255 N256 L261 F285 A465	L255-C259 PolarHBondContact O-N 2.93Å; N256-C259 WeakPolarHBondContact O-CB 3.42Å; N256-C259 PolarHBondContact O-N 3.13Å; N256-C259 VanDerWaalsContact O-N 3.14Å; C259-L261 PolarHBondContact SG-N 3.45Å; C259-L261 VanDerWaalsContact SG-N 3.4Å; C259-F285 HydrophobicContact CB-CD1 4.11Å; C259-F285 HydrophobicContact CB-CE1 3.64Å; C259-A465 HydrophobicContact CB-CB 4.08Å; C259-A465 WeakPolarHBondContact SG-CB 3.49Å
260	T	94.4	Very high	96.9	Very high	112 Å²	112	41.8 Å²	41.8	69%	0.687	23%	0.225	S	C	*	.			trans	-106.8	-1.9	177.8	55	0	0	0	0	113.4	K262 Q468	T260-K262 PolarHBondContact O-N 3.2Å; T260-Q468 PolarHBondContact OG1-NE2 3.28Å
261	L	95.8	Very high	96.8	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.136	22%	0.22	C	C	.	.			trans	-64.7	130.4	173.9	-66.9	179.4	0	0	0	110.1	C259 F263 R329 A464 Q468	C259-L261 PolarHBondContact SG-N 3.45Å; C259-L261 VanDerWaalsContact SG-N 3.4Å; L261-F263 HydrophobicContact CB-CE2 3.74Å; L261-F263 HydrophobicContact CB-CZ 3.87Å; L261-F263 HydrophobicContact CD1-CZ 4.1Å; L261-F263 WeakPolarHBondContact O-CD2 3.34Å; L261-F263 WeakPolarHBondContact O-CE2 3.49Å; L261-R329 HydrophobicContact CD2-CB 4.31Å; L261-A464 HydrophobicContact CD1-CB 3.99Å; L261-Q468 HydrophobicContact CD1-CB 4.28Å; L261-Q468 HydrophobicContact CD2-CG 4.24Å; L261-Q468 HydrophobicContact CG-CG 4.42Å
262	K	97.2	Very high	96.8	Very high	96 Å²	96	37.9 Å²	37.9	42%	0.417	21%	0.206	S	C	.	.			trans	-90.8	136.8	165.7	-74.4	-177.5	177.8	-167.2	0	109.9	T260 E326 A328 R329	T260-K262 PolarHBondContact O-N 3.2Å; K262-E326 WeakPolarHBondContact CD-O 3.39Å; K262-E326 WeakPolarHBondContact CE-O 2.98Å; K262-E326 PolarHBondContact NZ-O 3.33Å; K262-E326 IonicContact NZ-OE2 2.77Å; K262-A328 HydrophobicContact CB-CB 3.86Å; K262-A328 WeakPolarHBondContact O-CA 3.25Å; K262-A328 WeakPolarHBondContact O-CB 3.32Å; K262-R329 PolarHBondContact O-N 2.72Å; K262-R329 VanDerWaalsContact O-N 3.14Å
263	F	98.6	Very high	96.9	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.6	176.3	-59.1	-92.2	0	0	0	108.9	L261 F280 F285 P288 V289 I330 L332 A461 A464	L261-F263 HydrophobicContact CB-CE2 3.74Å; L261-F263 HydrophobicContact CB-CZ 3.87Å; L261-F263 HydrophobicContact CD1-CZ 4.1Å; L261-F263 WeakPolarHBondContact O-CD2 3.34Å; L261-F263 WeakPolarHBondContact O-CE2 3.49Å; F263-F280 HydrophobicContact CB-CE1 4.21Å; F263-F280 HydrophobicContact CB-CZ 4.35Å; F263-F280 AromaticContact CD2-CE1 3.87Å; F263-F280 HydrophobicContact CD2-CE1 3.87Å; F263-F280 HydrophobicContact CE2-CE1 4.43Å; F263-F280 HydrophobicContact CG-CE1 4Å; F263-F280 HydrophobicContact CG-CZ 4.23Å; F263-F285 HydrophobicContact CE2-CE1 4.38Å; F263-P288 HydrophobicContact CB-CB 3.86Å; F263-P288 CarbonylContact O-C 3.53Å; F263-P288 WeakPolarHBondContact O-CA 3.35Å; F263-V289 PolarHBondContact O-N 2.88Å; F263-I330 CarbonylContact C-O 3.55Å; F263-I330 WeakPolarHBondContact CA-O 3.3Å; F263-I330 HydrophobicContact CD1-CB 3.76Å; F263-I330 HydrophobicContact CD1-CD1 4.4Å; F263-I330 HydrophobicContact CD1-CG2 3.84Å; F263-I330 HydrophobicContact CE1-CB 4.06Å; F263-I330 HydrophobicContact CE1-CD1 3.79Å; F263-I330 HydrophobicContact CE1-CG1 4.49Å; F263-I330 HydrophobicContact CE1-CG2 4.19Å; F263-L332 HydrophobicContact CD1-CD1 4.29Å; F263-A461 HydrophobicContact CD1-CB 4.19Å; F263-A461 HydrophobicContact CE1-CB 3.69Å; F263-A461 HydrophobicContact CE2-CB 4.23Å; F263-A461 HydrophobicContact CZ-CB 3.7Å; F263-A464 HydrophobicContact CE1-CB 4.27Å; F263-A464 HydrophobicContact CZ-CB 4.45Å
264	V	98.8	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.8	166.6	162.7	0	0	0	0	109	V289 V291 L322 A323 A328 I330 I331 L332	V264-V289 CarbonylContact C-O 3.54Å; V264-V289 VanDerWaalsContact CA-O 3.31Å; V264-V289 WeakPolarHBondContact CA-O 3.14Å; V264-V289 HydrophobicContact CG2-CB 4.4Å; V264-V291 HydrophobicContact CG1-CG2 3.83Å; V264-L322 HydrophobicContact CG1-CD2 3.96Å; V264-L322 HydrophobicContact CG1-CG 4.42Å; V264-L322 HydrophobicContact CG2-CB 4.5Å; V264-L322 HydrophobicContact CG2-CD2 4.1Å; V264-L322 HydrophobicContact CG2-CG 3.94Å; V264-A323 HydrophobicContact CB-CB 4.44Å; V264-A323 HydrophobicContact CG2-CB 3.97Å; V264-A328 HydrophobicContact CG2-CB 3.81Å; V264-I330 PolarHBondContact N-O 3.48Å; V264-I331 HydrophobicContact CB-CG1 4.17Å; V264-I331 HydrophobicContact CG1-CG1 4.4Å; V264-I331 WeakPolarHBondContact O-CA 3.32Å; V264-L332 PolarHBondContact O-N 3.14Å
265	H	98.7	Very high	97	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	174.2	177.4	-113.3	0	0	0	112.2	H273 P288 V289 P290 V291 L332 T334	H265-H273 AromaticContact ND1-ND1 3.9Å; H265-P288 HydrophobicContact CB-CB 3.7Å; H265-P288 HydrophobicContact CB-CG 3.48Å; H265-P288 VanDerWaalsContact CB-CG 3.48Å; H265-V289 PolarHBondContact N-O 2.83Å; H265-P290 WeakPolarHBondContact O-CA 3.38Å; H265-V291 PolarHBondContact O-N 2.91Å; H265-L332 VanDerWaalsContact CA-O 3.27Å; H265-L332 WeakPolarHBondContact CA-O 3.22Å; H265-L332 PolarHBondContact CD2-O 3.14Å; H265-L332 VanDerWaalsContact CD2-O 3.28Å; H265-T334 PolarHBondContact NE2-OG1 2.94Å; H265-T334 VanDerWaalsContact NE2-OG1 3.13Å
266	S	98.1	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.7	164.7	-177.1	0	0	0	0	111.2	F268 Q294 L332 A333 T334	S266-F268 PolarHBondContact OG-N 3.29Å; S266-Q294 WeakPolarHBondContact OG-CB 3.42Å; S266-Q294 PolarHBondContact OG-OE1 3.12Å; S266-L332 PolarHBondContact N-O 3.04Å; S266-A333 WeakPolarHBondContact O-CA 3.29Å; S266-T334 PolarHBondContact O-N 3.2Å; S266-T334 PolarHBondContact O-OG1 2.82Å
267	S	96.4	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.			trans	-107.4	2.8	172	40.5	0	0	0	0	113.5	H269 G270 Q294 T334	S267-H269 VanDerWaalsContact C-N 3.27Å; S267-H269 PolarHBondContact O-N 3.28Å; S267-G270 WeakPolarHBondContact O-CA 3.22Å; S267-G270 PolarHBondContact O-N 3.3Å; S267-Q294 PolarHBondContact OG-O 3.06Å; S267-T334 CarbonylContact C-O 3.43Å
268	F	95.4	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	46.5	-174.8	-61.8	-48.2	0	0	0	114.2	S266 G270 V304 P307 P309 V315 L316 A333	S266-F268 PolarHBondContact OG-N 3.29Å; F268-G270 PolarHBondContact O-N 2.9Å; F268-V304 HydrophobicContact CB-CG2 4.41Å; F268-V304 HydrophobicContact CD1-CG1 4.06Å; F268-V304 HydrophobicContact CE1-CG1 4.3Å; F268-P307 HydrophobicContact CB-CB 3.9Å; F268-P309 HydrophobicContact CD2-CG 4.12Å; F268-P309 HydrophobicContact CE2-CB 3.86Å; F268-P309 HydrophobicContact CE2-CG 3.75Å; F268-V315 VanDerWaalsContact CE1-O 3.25Å; F268-V315 WeakPolarHBondContact CE1-O 3.19Å; F268-V315 HydrophobicContact CZ-CB 4.21Å; F268-V315 HydrophobicContact CZ-CG2 4.12Å; F268-V315 WeakPolarHBondContact CZ-O 3.49Å; F268-L316 HydrophobicContact CZ-CD2 4.15Å; F268-A333 HydrophobicContact CE2-CB 4.11Å; F268-A333 HydrophobicContact CZ-CB 4.19Å
269	H	95.9	Very high	97.3	Very high	27 Å²	27	26 Å²	26	13%	0.125	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	15	-175.7	-50.2	-93	0	0	0	115.4	T119 S267 E293 Q294 D296 P297 D298 F301 S303	T119-H269 PolarHBondContact OG1-O 2.87Å; S267-H269 VanDerWaalsContact C-N 3.27Å; S267-H269 PolarHBondContact O-N 3.28Å; H269-E293 PolarHBondContact CE1-O 3.08Å; H269-E293 PolarHBondContact NE2-O 3.23Å; H269-Q294 PolarHBondContact N-O 2.76Å; H269-D296 WeakPolarHBondContact CA-O 3.38Å; H269-P297 WeakPolarHBondContact O-CA 3.4Å; H269-D298 HydrophobicContact CB-CB 3.92Å; H269-D298 PolarHBondContact O-N 3.39Å; H269-F301 HydrophobicContact CB-CD1 4.09Å; H269-F301 VanDerWaalsContact CD2-C 3.48Å; H269-S303 WeakPolarHBondContact NE2-CA 3.17Å; H269-S303 WeakPolarHBondContact NE2-CB 3.31Å; H269-S303 PolarHBondContact NE2-N 2.89Å; H269-S303 PolarHBondContact NE2-OG 2.99Å
270	G	95.9	Very high	97.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	-86.1	-165.1	174.4	0	0	0	0	0	114.3	S267 F268 P336	S267-G270 WeakPolarHBondContact O-CA 3.22Å; S267-G270 PolarHBondContact O-N 3.3Å; F268-G270 PolarHBondContact O-N 2.9Å; G270-P336 CarbonylContact C-O 3.52Å; G270-P336 WeakPolarHBondContact CA-O 3.44Å
271	V	96.9	Very high	97.6	Very high	9 Å²	9	25.9 Å²	25.9	6%	0.055	11%	0.114	C	C	.	.	S	Bend	trans	-80	-21	-175	-54.6	0	0	0	0	113.9	D118 T119 F153 P155 H273 F275 P336 A338	D118-V271 HydrophobicContact CB-CG1 4.41Å; T119-V271 HydrophobicContact CG2-CG1 3.89Å; F153-V271 HydrophobicContact CB-CB 4.5Å; F153-V271 HydrophobicContact CB-CG1 3.56Å; P155-V271 HydrophobicContact CB-CG2 4.32Å; P155-V271 HydrophobicContact CG-CG2 4.12Å; V271-H273 PolarHBondContact O-N 2.92Å; V271-F275 VanDerWaalsContact O-CD2 3.23Å; V271-F275 WeakPolarHBondContact O-CD2 3.26Å; V271-P336 WeakPolarHBondContact CG2-O 3.27Å; V271-P336 PolarHBondContact N-O 3.27Å; V271-A338 HydrophobicContact CG2-CB 4.01Å
272	G	97	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-26.8	-159.9	0	0	0	0	0	117.4	D274 F275 V276	G272-D274 PolarHBondContact O-N 3.17Å; G272-F275 PolarHBondContact O-N 3.19Å; G272-V276 WeakPolarHBondContact O-CG2 3.34Å; G272-V276 PolarHBondContact O-N 2.97Å
273	H	97.5	Very high	97.8	Very high	22 Å²	22	21.1 Å²	21.1	10%	0.102	9%	0.094	C	C	.	.	H	α-helix	trans	-57.1	-54.3	-167.5	176.8	55.5	0	0	0	114.1	H265 V271 F275 V276 R277 K295	H265-H273 AromaticContact ND1-ND1 3.9Å; V271-H273 PolarHBondContact O-N 2.92Å; H273-F275 VanDerWaalsContact C-N 3.25Å; H273-F275 PolarHBondContact O-N 3.13Å; H273-V276 PolarHBondContact O-N 3.11Å; H273-R277 WeakPolarHBondContact O-CB 3.26Å; H273-R277 PolarHBondContact O-N 3.23Å; H273-K295 HydrophobicContact CB-CB 4.48Å; H273-K295 WeakPolarHBondContact CB-O 3.35Å
274	D	97.6	Very high	97.8	Very high	73 Å²	73	21.8 Å²	21.8	39%	0.39	10%	0.102	S	C	.	.	H	α-helix	trans	-66.1	-29	-176.6	-86.8	-39.5	0	0	0	112.8	G272 R277 Q278	G272-D274 PolarHBondContact O-N 3.17Å; D274-R277 IonicContact OD1-CZ 3.82Å; D274-R277 IonicContact OD1-NE 2.77Å; D274-R277 IonicContact OD1-NH1 3.92Å; D274-R277 PolarHBondContact OD1-NH1 2.96Å; D274-R277 IonicContact OD1-NH2 3.55Å; D274-R277 PolarHBondContact OD1-NH2 3.13Å; D274-Q278 VanDerWaalsContact O-CG 3.29Å; D274-Q278 WeakPolarHBondContact O-CG 3.04Å; D274-Q278 PolarHBondContact O-N 3Å; D274-Q278 PolarHBondContact O-NE2 2.81Å
275	F	98.4	Very high	97.8	Very high	17 Å²	17	22.3 Å²	22.3	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-80.5	-44	-179.6	-58.5	-81.9	0	0	0	111.4	V154 P155 Y158 N239 M243 V271 G272 H273 R277 Q278 A279 V454	V154-F275 HydrophobicContact CG1-CZ 4.42Å; P155-F275 HydrophobicContact CG-CB 4.15Å; P155-F275 HydrophobicContact CG-CD1 4.17Å; P155-F275 HydrophobicContact CG-CD2 3.64Å; P155-F275 HydrophobicContact CG-CE2 4.07Å; P155-F275 HydrophobicContact CG-CG 3.69Å; P155-F275 HydrophobicContact CG-CZ 4.48Å; Y158-F275 HydrophobicContact CD1-CE1 4.36Å; Y158-F275 AromaticContact CE1-CD1 4Å; Y158-F275 HydrophobicContact CE1-CD1 4Å; Y158-F275 AromaticContact CE1-CE1 3.58Å; Y158-F275 HydrophobicContact CE1-CE1 3.58Å; Y158-F275 HydrophobicContact CE2-CD1 4.15Å; Y158-F275 HydrophobicContact CE2-CE1 4.47Å; Y158-F275 AromaticContact CZ-CD1 3.55Å; Y158-F275 AromaticContact CZ-CE1 3.66Å; Y158-F275 VanDerWaalsContact OH-CD1 3.25Å; Y158-F275 WeakPolarHBondContact OH-CD1 3.27Å; N239-F275 WeakPolarHBondContact OD1-CE1 3.23Å; M243-F275 HydrophobicContact CE-CB 4.34Å; M243-F275 HydrophobicContact CE-CD1 4.3Å; V271-F275 VanDerWaalsContact O-CD2 3.23Å; V271-F275 WeakPolarHBondContact O-CD2 3.26Å; G272-F275 PolarHBondContact O-N 3.19Å; H273-F275 VanDerWaalsContact C-N 3.25Å; H273-F275 PolarHBondContact O-N 3.13Å; F275-R277 VanDerWaalsContact C-N 3.3Å; F275-R277 PolarHBondContact O-N 3.38Å; F275-Q278 PolarHBondContact O-N 3.41Å; F275-Q278 VanDerWaalsContact O-N 3.1Å; F275-A279 WeakPolarHBondContact O-CB 3.26Å; F275-A279 PolarHBondContact O-N 3.37Å; F275-V454 HydrophobicContact CB-CG1 3.93Å; F275-V454 HydrophobicContact CB-CG2 3.95Å
276	V	98.8	Very high	97.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-40.3	172.2	174	0	0	0	0	110.8	G272 H273 Q278 A279 F280 P288 T334 V454 A457	G272-V276 WeakPolarHBondContact O-CG2 3.34Å; G272-V276 PolarHBondContact O-N 2.97Å; H273-V276 PolarHBondContact O-N 3.11Å; V276-Q278 VanDerWaalsContact C-N 3.27Å; V276-Q278 PolarHBondContact O-N 2.9Å; V276-A279 PolarHBondContact O-N 2.78Å; V276-F280 HydrophobicContact CG1-CD2 3.89Å; V276-F280 HydrophobicContact CG1-CE2 3.84Å; V276-F280 WeakPolarHBondContact O-CD2 3.46Å; V276-F280 PolarHBondContact O-N 2.99Å; V276-P288 HydrophobicContact CG1-CG 4.07Å; V276-T334 HydrophobicContact CG2-CG2 4.29Å; V276-V454 HydrophobicContact CG2-CB 4.5Å; V276-V454 HydrophobicContact CG2-CG1 4.34Å; V276-V454 HydrophobicContact CG2-CG2 4.31Å; V276-A457 HydrophobicContact CG1-CB 4.28Å; V276-A457 HydrophobicContact CG2-CB 4.27Å
277	R	98.6	Very high	97.8	Very high	76 Å²	76	30.2 Å²	30.2	29%	0.287	15%	0.153	S	C	.	.	H	α-helix	trans	-58.3	-37.8	173.6	-174.3	-179.1	76	-149.2	-2.2	112.7	H273 D274 F275 R281 P287	H273-R277 WeakPolarHBondContact O-CB 3.26Å; H273-R277 PolarHBondContact O-N 3.23Å; D274-R277 IonicContact OD1-CZ 3.82Å; D274-R277 IonicContact OD1-NE 2.77Å; D274-R277 IonicContact OD1-NH1 3.92Å; D274-R277 PolarHBondContact OD1-NH1 2.96Å; D274-R277 IonicContact OD1-NH2 3.55Å; D274-R277 PolarHBondContact OD1-NH2 3.13Å; F275-R277 VanDerWaalsContact C-N 3.3Å; F275-R277 PolarHBondContact O-N 3.38Å; R277-R281 WeakPolarHBondContact O-CG 3.02Å; R277-P287 HydrophobicContact CB-CB 4.47Å; R277-P287 HydrophobicContact CG-CB 3.72Å; R277-P287 HydrophobicContact CG-CG 3.75Å
278	Q	98.6	Very high	97.8	Very high	49 Å²	49	30.6 Å²	30.6	23%	0.229	16%	0.156	C	C	.	.	H	α-helix	trans	-75.2	-45.3	177.2	-74.9	171.2	86.5	0	0	111.5	N239 M243 D274 F275 V276 F280 R281 V282	N239-Q278 PolarHBondContact ND2-OE1 3.29Å; M243-Q278 HydrophobicContact CE-CB 3.52Å; M243-Q278 HydrophobicContact CG-CB 4.44Å; M243-Q278 HydrophobicContact SD-CB 3.64Å; D274-Q278 VanDerWaalsContact O-CG 3.29Å; D274-Q278 WeakPolarHBondContact O-CG 3.04Å; D274-Q278 PolarHBondContact O-N 3Å; D274-Q278 PolarHBondContact O-NE2 2.81Å; F275-Q278 PolarHBondContact O-N 3.41Å; F275-Q278 VanDerWaalsContact O-N 3.1Å; V276-Q278 VanDerWaalsContact C-N 3.27Å; V276-Q278 PolarHBondContact O-N 2.9Å; Q278-F280 VanDerWaalsContact C-N 3.3Å; Q278-F280 PolarHBondContact O-N 3.49Å; Q278-R281 WeakPolarHBondContact O-CA 3.48Å; Q278-R281 WeakPolarHBondContact O-CB 3.48Å; Q278-R281 PolarHBondContact O-N 3.05Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.38Å
279	A	98.7	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-53.7	-45.1	176.2	0	0	0	0	0	112.2	L246 F275 V276 R281 V282 F283 V454 V458	L246-A279 HydrophobicContact CD2-CB 3.6Å; F275-A279 WeakPolarHBondContact O-CB 3.26Å; F275-A279 PolarHBondContact O-N 3.37Å; V276-A279 PolarHBondContact O-N 2.78Å; A279-R281 VanDerWaalsContact C-N 3.34Å; A279-R281 PolarHBondContact O-N 3.3Å; A279-V282 WeakPolarHBondContact O-CB 3.49Å; A279-V282 PolarHBondContact O-N 3.02Å; A279-V282 VanDerWaalsContact O-N 3.15Å; A279-F283 PolarHBondContact O-N 3.18Å; A279-V454 HydrophobicContact CB-CG1 3.95Å; A279-V458 HydrophobicContact CB-CB 4.11Å; A279-V458 HydrophobicContact CB-CG1 3.98Å
280	F	98.8	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-44	174.1	-91.5	-116.3	0	0	0	112.7	F263 V276 Q278 F283 G284 F285 V286 P288 L332 V458 A461	F263-F280 HydrophobicContact CB-CE1 4.21Å; F263-F280 HydrophobicContact CB-CZ 4.35Å; F263-F280 AromaticContact CD2-CE1 3.87Å; F263-F280 HydrophobicContact CD2-CE1 3.87Å; F263-F280 HydrophobicContact CE2-CE1 4.43Å; F263-F280 HydrophobicContact CG-CE1 4Å; F263-F280 HydrophobicContact CG-CZ 4.23Å; V276-F280 HydrophobicContact CG1-CD2 3.89Å; V276-F280 HydrophobicContact CG1-CE2 3.84Å; V276-F280 WeakPolarHBondContact O-CD2 3.46Å; V276-F280 PolarHBondContact O-N 2.99Å; Q278-F280 VanDerWaalsContact C-N 3.3Å; Q278-F280 PolarHBondContact O-N 3.49Å; F280-F283 PolarHBondContact O-N 2.92Å; F280-G284 PolarHBondContact O-N 3.08Å; F280-G284 VanDerWaalsContact O-N 3.16Å; F280-F285 HydrophobicContact CB-CB 4.11Å; F280-F285 HydrophobicContact CD1-CB 3.56Å; F280-F285 HydrophobicContact CD1-CD2 4.28Å; F280-F285 HydrophobicContact CD1-CG 4.09Å; F280-F285 HydrophobicContact CE1-CB 4.39Å; F280-F285 HydrophobicContact CG-CB 4.21Å; F280-F285 PolarHBondContact O-N 3.18Å; F280-V286 WeakPolarHBondContact CD1-O 3.36Å; F280-P288 HydrophobicContact CD2-CG 4.47Å; F280-P288 HydrophobicContact CE1-CB 4.35Å; F280-P288 HydrophobicContact CE1-CG 4.42Å; F280-P288 HydrophobicContact CE2-CG 4.31Å; F280-P288 HydrophobicContact CZ-CB 4.37Å; F280-P288 HydrophobicContact CZ-CG 4.28Å; F280-L332 HydrophobicContact CE2-CD1 3.91Å; F280-L332 HydrophobicContact CZ-CD1 3.57Å; F280-V458 HydrophobicContact CD2-CB 4.08Å; F280-V458 HydrophobicContact CD2-CG2 3.91Å; F280-V458 HydrophobicContact CE2-CB 4.22Å; F280-V458 HydrophobicContact CE2-CG2 4.29Å; F280-V458 HydrophobicContact CG-CG2 4.29Å; F280-A461 HydrophobicContact CE1-CB 3.84Å; F280-A461 HydrophobicContact CE2-CB 4.25Å; F280-A461 HydrophobicContact CZ-CB 3.53Å
281	R	98.6	Very high	98.2	Very high	140 Å²	140	33 Å²	33	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-66.4	-36.8	176.4	-66.1	169.9	178.5	172.2	-0.8	112.3	R277 Q278 A279 F283 G284 P287	R277-R281 WeakPolarHBondContact O-CG 3.02Å; Q278-R281 WeakPolarHBondContact O-CA 3.48Å; Q278-R281 WeakPolarHBondContact O-CB 3.48Å; Q278-R281 PolarHBondContact O-N 3.05Å; A279-R281 VanDerWaalsContact C-N 3.34Å; A279-R281 PolarHBondContact O-N 3.3Å; R281-F283 PolarHBondContact O-N 3Å; R281-G284 PolarHBondContact O-N 3.4Å; R281-G284 VanDerWaalsContact O-N 3.11Å; R281-P287 HydrophobicContact CG-CG 4.06Å
282	V	98.4	Very high	98.2	Very high	22 Å²	22	35.6 Å²	35.6	13%	0.133	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-39.5	173.4	172.3	0	0	0	0	110.5	M243 L246 T247 R253 Q278 A279 G284	M243-V282 HydrophobicContact CB-CG2 3.86Å; M243-V282 HydrophobicContact CG-CG2 4.39Å; M243-V282 WeakPolarHBondContact O-CG1 3.37Å; M243-V282 HydrophobicContact SD-CG2 3.94Å; L246-V282 HydrophobicContact CB-CG1 4.43Å; T247-V282 HydrophobicContact CG2-CG1 3.64Å; R253-V282 PolarHBondContact NH1-O 3.43Å; R253-V282 PolarHBondContact NH2-O 3.31Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.38Å; A279-V282 WeakPolarHBondContact O-CB 3.49Å; A279-V282 PolarHBondContact O-N 3.02Å; A279-V282 VanDerWaalsContact O-N 3.15Å; V282-G284 VanDerWaalsContact C-N 3.33Å
283	F	98.6	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.9	177.8	-86.6	-126.7	0	0	0	114.7	L246 L249 C250 N256 A279 F280 R281 F285 V458 V459 E462	L246-F283 HydrophobicContact CG-CE2 4.09Å; L249-F283 HydrophobicContact CB-CZ 3.9Å; L249-F283 WeakPolarHBondContact O-CE1 3.49Å; L249-F283 VanDerWaalsContact O-CZ 3.24Å; L249-F283 WeakPolarHBondContact O-CZ 3.23Å; C250-F283 HydrophobicContact CB-CD1 3.87Å; C250-F283 HydrophobicContact CB-CD2 3.84Å; C250-F283 HydrophobicContact CB-CE1 3.86Å; C250-F283 HydrophobicContact CB-CE2 3.77Å; C250-F283 HydrophobicContact CB-CG 3.88Å; C250-F283 HydrophobicContact CB-CZ 3.81Å; N256-F283 WeakPolarHBondContact CB-O 3.29Å; N256-F283 PolarHBondContact ND2-O 3.42Å; A279-F283 PolarHBondContact O-N 3.18Å; F280-F283 PolarHBondContact O-N 2.92Å; R281-F283 PolarHBondContact O-N 3Å; F283-F285 HydrophobicContact CB-CD2 3.84Å; F283-F285 HydrophobicContact CB-CE2 4.22Å; F283-V458 HydrophobicContact CB-CG2 3.57Å; F283-V458 HydrophobicContact CD1-CG1 4.32Å; F283-V458 HydrophobicContact CD1-CG2 3.67Å; F283-V458 HydrophobicContact CD2-CB 4.41Å; F283-V458 HydrophobicContact CD2-CG1 3.77Å; F283-V458 HydrophobicContact CD2-CG2 3.74Å; F283-V458 HydrophobicContact CE1-CG1 4.1Å; F283-V458 HydrophobicContact CE1-CG2 4.24Å; F283-V458 HydrophobicContact CE2-CG1 3.56Å; F283-V458 HydrophobicContact CE2-CG2 4.34Å; F283-V458 HydrophobicContact CG-CB 4.38Å; F283-V458 HydrophobicContact CG-CG1 4.16Å; F283-V458 HydrophobicContact CG-CG2 3.37Å; F283-V458 HydrophobicContact CZ-CG1 3.71Å; F283-V459 HydrophobicContact CE1-CG2 4.43Å; F283-V459 HydrophobicContact CZ-CG2 4.14Å; F283-E462 HydrophobicContact CD1-CB 3.95Å; F283-E462 HydrophobicContact CD1-CG 4.47Å; F283-E462 HydrophobicContact CE1-CB 4.03Å
284	G	98.4	Very high	98.2	Very high	20 Å²	20	39.2 Å²	39.2	21%	0.206	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.6	-178.3	0	0	0	0	0	115.4	S257 F280 R281 V282	S257-G284 WeakPolarHBondContact CA-O 3.46Å; F280-G284 PolarHBondContact O-N 3.08Å; F280-G284 VanDerWaalsContact O-N 3.16Å; R281-G284 PolarHBondContact O-N 3.4Å; R281-G284 VanDerWaalsContact O-N 3.11Å; V282-G284 VanDerWaalsContact C-N 3.33Å
285	F	98.6	Very high	98.1	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.048	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-75.5	153.1	179	-71.3	-70.7	0	0	0	113.7	N256 C259 F263 F280 F283 V458 A461 E462 A465	N256-F285 HydrophobicContact CB-CD1 3.95Å; N256-F285 HydrophobicContact CB-CD2 3.93Å; N256-F285 HydrophobicContact CB-CE1 3.67Å; N256-F285 HydrophobicContact CB-CE2 3.64Å; N256-F285 HydrophobicContact CB-CG 4.07Å; N256-F285 HydrophobicContact CB-CZ 3.51Å; N256-F285 WeakPolarHBondContact O-CD1 3.34Å; N256-F285 WeakPolarHBondContact OD1-CZ 3.43Å; C259-F285 HydrophobicContact CB-CD1 4.11Å; C259-F285 HydrophobicContact CB-CE1 3.64Å; F263-F285 HydrophobicContact CE2-CE1 4.38Å; F280-F285 HydrophobicContact CB-CB 4.11Å; F280-F285 HydrophobicContact CD1-CB 3.56Å; F280-F285 HydrophobicContact CD1-CD2 4.28Å; F280-F285 HydrophobicContact CD1-CG 4.09Å; F280-F285 HydrophobicContact CE1-CB 4.39Å; F280-F285 HydrophobicContact CG-CB 4.21Å; F280-F285 PolarHBondContact O-N 3.18Å; F283-F285 HydrophobicContact CB-CD2 3.84Å; F283-F285 HydrophobicContact CB-CE2 4.22Å; F285-V458 HydrophobicContact CD2-CG2 4.25Å; F285-A461 HydrophobicContact CD2-CB 4.35Å; F285-A461 HydrophobicContact CE2-CB 3.88Å; F285-A461 HydrophobicContact CZ-CB 4.17Å; F285-A461 WeakPolarHBondContact CZ-O 3.47Å; F285-E462 HydrophobicContact CE2-CB 4.26Å; F285-A465 HydrophobicContact CE1-CB 3.89Å; F285-A465 HydrophobicContact CZ-CB 3.8Å
286	V	97.6	Very high	98	Very high	127 Å²	127	41.8 Å²	41.8	77%	0.77	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-64.7	131.5	154.3	-179.1	0	0	0	0	108.1	F280	F280-V286 WeakPolarHBondContact CD1-O 3.36Å
287	P	98.1	Very high	97.7	Very high	40 Å²	40	45 Å²	45	26%	0.26	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-55.6	152.6	178.9	-29.1	36.3	0	0	0	114.6	R277 R281	R277-P287 HydrophobicContact CB-CB 4.47Å; R277-P287 HydrophobicContact CG-CB 3.72Å; R277-P287 HydrophobicContact CG-CG 3.75Å; R281-P287 HydrophobicContact CG-CG 4.06Å
288	P	98.3	Very high	97.5	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.058	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-64.4	151.9	178.1	30.2	-36.2	0	0	0	110.8	F263 H265 V276 F280 P290	F263-P288 HydrophobicContact CB-CB 3.86Å; F263-P288 CarbonylContact O-C 3.53Å; F263-P288 WeakPolarHBondContact O-CA 3.35Å; H265-P288 HydrophobicContact CB-CB 3.7Å; H265-P288 HydrophobicContact CB-CG 3.48Å; H265-P288 VanDerWaalsContact CB-CG 3.48Å; V276-P288 HydrophobicContact CG1-CG 4.07Å; F280-P288 HydrophobicContact CD2-CG 4.47Å; F280-P288 HydrophobicContact CE1-CB 4.35Å; F280-P288 HydrophobicContact CE1-CG 4.42Å; F280-P288 HydrophobicContact CE2-CG 4.31Å; F280-P288 HydrophobicContact CZ-CB 4.37Å; F280-P288 HydrophobicContact CZ-CG 4.28Å; P288-P290 VanDerWaalsContact O-CD 3.31Å; P288-P290 WeakPolarHBondContact O-CD 3.33Å
289	V	98.6	Very high	97.2	Very high	41 Å²	41	43.1 Å²	43.1	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	117.7	172.9	-170.4	0	0	0	0	108.1	F263 V264 H265 L322 E326	F263-V289 PolarHBondContact O-N 2.88Å; V264-V289 CarbonylContact C-O 3.54Å; V264-V289 VanDerWaalsContact CA-O 3.31Å; V264-V289 WeakPolarHBondContact CA-O 3.14Å; V264-V289 HydrophobicContact CG2-CB 4.4Å; H265-V289 PolarHBondContact N-O 2.83Å; V289-L322 HydrophobicContact CG1-CD2 4.26Å; V289-E326 HydrophobicContact CG1-CG 4.18Å
290	P	98.3	Very high	96.9	Very high	38 Å²	38	46.5 Å²	46.5	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.4	-178.7	30.2	-32.7	0	0	0	111.2	H265 P288 P292 K295 L322	H265-P290 WeakPolarHBondContact O-CA 3.38Å; P288-P290 VanDerWaalsContact O-CD 3.31Å; P288-P290 WeakPolarHBondContact O-CD 3.33Å; P290-P292 WeakPolarHBondContact O-CD 3.33Å; P290-K295 HydrophobicContact CB-CB 3.83Å; P290-K295 HydrophobicContact CB-CD 3.95Å; P290-K295 HydrophobicContact CB-CG 4.48Å; P290-K295 HydrophobicContact CG-CD 3.99Å; P290-L322 WeakPolarHBondContact O-CD2 3.48Å
291	V	98.3	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.			trans	-63.2	109.9	165.4	177.7	0	0	0	0	108.7	V264 H265 E293 Q294 K295 L318 S319 L322	V264-V291 HydrophobicContact CG1-CG2 3.83Å; H265-V291 PolarHBondContact O-N 2.91Å; V291-E293 HydrophobicContact CG1-CB 4.48Å; V291-E293 WeakPolarHBondContact CG1-OE2 3.5Å; V291-E293 PolarHBondContact O-N 3.39Å; V291-E293 VanDerWaalsContact O-N 3.15Å; V291-Q294 HydrophobicContact CB-CB 4.1Å; V291-Q294 HydrophobicContact CG1-CB 3.86Å; V291-Q294 HydrophobicContact CG1-CG 3.87Å; V291-Q294 PolarHBondContact O-N 3.27Å; V291-K295 WeakPolarHBondContact O-CB 3.46Å; V291-K295 PolarHBondContact O-N 3.14Å; V291-L318 HydrophobicContact CG1-CB 3.95Å; V291-S319 WeakPolarHBondContact CG2-OG 3.41Å; V291-L322 HydrophobicContact CB-CD2 4.35Å; V291-L322 HydrophobicContact CG2-CD2 3.88Å
292	P	97.4	Very high	96.3	Very high	62 Å²	62	44.1 Å²	44.1	40%	0.403	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.9	-171.2	-26.9	36	0	0	0	113.4	P290 Q294	P290-P292 WeakPolarHBondContact O-CD 3.33Å; P292-Q294 VanDerWaalsContact C-N 3.31Å; P292-Q294 PolarHBondContact O-N 3.28Å
293	E	96.9	Very high	96	Very high	96 Å²	96	45.2 Å²	45.2	45%	0.449	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.7	-179.1	-57.2	76.1	-168	0	0	113.4	H269 V291 L318	H269-E293 PolarHBondContact CE1-O 3.08Å; H269-E293 PolarHBondContact NE2-O 3.23Å; V291-E293 HydrophobicContact CG1-CB 4.48Å; V291-E293 WeakPolarHBondContact CG1-OE2 3.5Å; V291-E293 PolarHBondContact O-N 3.39Å; V291-E293 VanDerWaalsContact O-N 3.15Å; E293-L318 HydrophobicContact CB-CD1 4.02Å; E293-L318 HydrophobicContact CG-CD1 4.36Å
294	Q	96.6	Very high	95.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-2.3	-168.9	-65.6	-177.9	-26.4	0	0	114.4	S266 S267 H269 V291 P292 S303 L318	S266-Q294 WeakPolarHBondContact OG-CB 3.42Å; S266-Q294 PolarHBondContact OG-OE1 3.12Å; S267-Q294 PolarHBondContact OG-O 3.06Å; H269-Q294 PolarHBondContact N-O 2.76Å; V291-Q294 HydrophobicContact CB-CB 4.1Å; V291-Q294 HydrophobicContact CG1-CB 3.86Å; V291-Q294 HydrophobicContact CG1-CG 3.87Å; V291-Q294 PolarHBondContact O-N 3.27Å; P292-Q294 VanDerWaalsContact C-N 3.31Å; P292-Q294 PolarHBondContact O-N 3.28Å; Q294-S303 VanDerWaalsContact CG-OG 3.31Å; Q294-S303 WeakPolarHBondContact CG-OG 3.44Å; Q294-S303 PolarHBondContact NE2-OG 3.22Å; Q294-L318 HydrophobicContact CG-CD1 4.3Å
295	K	95.9	Very high	94.7	Very high	58 Å²	58	57.1 Å²	57.1	25%	0.252	31%	0.312	S	S	.	.	S	Bend	trans	-79.7	-27.6	-175.7	70.6	173.6	-178.7	62.6	0	114.6	H273 P290 V291	H273-K295 HydrophobicContact CB-CB 4.48Å; H273-K295 WeakPolarHBondContact CB-O 3.35Å; P290-K295 HydrophobicContact CB-CB 3.83Å; P290-K295 HydrophobicContact CB-CD 3.95Å; P290-K295 HydrophobicContact CB-CG 4.48Å; P290-K295 HydrophobicContact CG-CD 3.99Å; V291-K295 WeakPolarHBondContact O-CB 3.46Å; V291-K295 PolarHBondContact O-N 3.14Å
296	D	95.2	Very high	94	Very high	86 Å²	86	58.5 Å²	58.5	46%	0.46	32%	0.323	S	S	.	.	S	Bend	trans	-96	139.4	-173.8	-65.2	-38.1	0	0	0	109.9	H269 D298	H269-D296 WeakPolarHBondContact CA-O 3.38Å; D296-D298 PolarHBondContact O-N 3.23Å
297	P	93.5	Very high	93.6	Very high	69 Å²	69	52.5 Å²	52.5	45%	0.448	29%	0.286	S	S	.	.			trans	-52.5	121.4	172	-34.2	40.3	0	0	0	114.1	T119 F153 H269	T119-P297 HydrophobicContact CG2-CB 3.66Å; T119-P297 HydrophobicContact CG2-CG 4.16Å; F153-P297 HydrophobicContact CD2-CB 4.3Å; F153-P297 HydrophobicContact CD2-CG 4.34Å; F153-P297 HydrophobicContact CE2-CB 4.16Å; H269-P297 WeakPolarHBondContact O-CA 3.4Å
298	D	94.4	Very high	93.3	Very high	31 Å²	31	51 Å²	51	17%	0.166	28%	0.276	C	S	.	.			trans	-135.3	121.5	169.6	163.1	31.3	0	0	0	109.7	H269 D296 N300 F301 S302	H269-D298 HydrophobicContact CB-CB 3.92Å; H269-D298 PolarHBondContact O-N 3.39Å; D296-D298 PolarHBondContact O-N 3.23Å; D298-N300 PolarHBondContact O-N 2.92Å; D298-N300 VanDerWaalsContact O-N 3.11Å; D298-N300 WeakPolarHBondContact OD1-CB 3.16Å; D298-N300 PolarHBondContact OD1-N 2.82Å; D298-F301 WeakPolarHBondContact O-CD1 3.34Å; D298-F301 PolarHBondContact O-N 3.06Å; D298-F301 VanDerWaalsContact O-N 3.16Å; D298-F301 PolarHBondContact OD2-N 3.33Å; D298-S302 WeakPolarHBondContact OD2-CB 3.47Å; D298-S302 PolarHBondContact OD2-N 2.72Å; D298-S302 PolarHBondContact OD2-OG 2.68Å
299	P	92.8	Very high	92.9	Very high	53 Å²	53	50.7 Å²	50.7	34%	0.344	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.2	180	25	-35.7	0	0	0	114.5	T119	T119-P299 WeakPolarHBondContact O-CA 3.43Å; T119-P299 WeakPolarHBondContact O-CB 3.33Å
300	N	91.1	Very high	92.5	Very high	72 Å²	72	52.3 Å²	52.3	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.4	-179.9	-73.6	-75.9	0	0	0	114.5	K181 D298 S302	K181-N300 HydrophobicContact CD-CB 4.19Å; K181-N300 WeakPolarHBondContact CD-O 3.17Å; K181-N300 PolarHBondContact NZ-OD1 3.12Å; D298-N300 PolarHBondContact O-N 2.92Å; D298-N300 VanDerWaalsContact O-N 3.11Å; D298-N300 WeakPolarHBondContact OD1-CB 3.16Å; D298-N300 PolarHBondContact OD1-N 2.82Å; N300-S302 PolarHBondContact O-N 3.43Å
301	F	92.9	Very high	92	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	29%	0.285	C	S	.	.			trans	52	39.5	-173.9	-46.5	-45	0	0	0	113.3	R120 K181 H269 D298 S303 V304 P307 P336	R120-F301 HydrophobicContact CB-CE2 4.42Å; R120-F301 HydrophobicContact CB-CZ 3.85Å; K181-F301 HydrophobicContact CB-CD2 3.84Å; K181-F301 HydrophobicContact CB-CE2 4.07Å; H269-F301 HydrophobicContact CB-CD1 4.09Å; H269-F301 VanDerWaalsContact CD2-C 3.48Å; D298-F301 WeakPolarHBondContact O-CD1 3.34Å; D298-F301 PolarHBondContact O-N 3.06Å; D298-F301 VanDerWaalsContact O-N 3.16Å; D298-F301 PolarHBondContact OD2-N 3.33Å; F301-S303 PolarHBondContact O-N 2.75Å; F301-V304 HydrophobicContact CB-CG2 4.13Å; F301-V304 WeakPolarHBondContact O-CG2 3.42Å; F301-V304 PolarHBondContact O-N 2.97Å; F301-V304 VanDerWaalsContact O-O 3.08Å; F301-P307 HydrophobicContact CD2-CB 4.35Å; F301-P307 HydrophobicContact CD2-CG 3.64Å; F301-P307 HydrophobicContact CE2-CG 3.83Å; F301-P307 HydrophobicContact CG-CB 4.36Å; F301-P307 HydrophobicContact CG-CG 4.13Å; F301-P307 HydrophobicContact CZ-CG 4.47Å; F301-P336 HydrophobicContact CE1-CB 3.91Å; F301-P336 HydrophobicContact CE1-CG 4.06Å; F301-P336 HydrophobicContact CE2-CG 4.43Å; F301-P336 HydrophobicContact CZ-CB 3.89Å; F301-P336 HydrophobicContact CZ-CG 3.94Å
302	S	91.9	Very high	91.4	Very high	87 Å²	87	54.9 Å²	54.9	61%	0.608	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.5	-153.8	-62.1	0	0	0	0	117.5	D298 N300	D298-S302 WeakPolarHBondContact OD2-CB 3.47Å; D298-S302 PolarHBondContact OD2-N 2.72Å; D298-S302 PolarHBondContact OD2-OG 2.68Å; N300-S302 PolarHBondContact O-N 3.43Å
303	S	91.7	Very high	91	Very high	46 Å²	46	58.1 Å²	58.1	32%	0.322	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.7	176.1	71.5	0	0	0	0	114.5	H269 Q294 F301	H269-S303 WeakPolarHBondContact NE2-CA 3.17Å; H269-S303 WeakPolarHBondContact NE2-CB 3.31Å; H269-S303 PolarHBondContact NE2-N 2.89Å; H269-S303 PolarHBondContact NE2-OG 2.99Å; Q294-S303 VanDerWaalsContact CG-OG 3.31Å; Q294-S303 WeakPolarHBondContact CG-OG 3.44Å; Q294-S303 PolarHBondContact NE2-OG 3.22Å; F301-S303 PolarHBondContact O-N 2.75Å
304	V	88.5	Confident	90.6	Very high	23 Å²	23	57.9 Å²	57.9	14%	0.139	31%	0.31	C	S	.	.			trans	-134.8	134.4	-172.5	-71.9	0	0	0	0	111.4	F268 F301 C306 P307	F268-V304 HydrophobicContact CB-CG2 4.41Å; F268-V304 HydrophobicContact CD1-CG1 4.06Å; F268-V304 HydrophobicContact CE1-CG1 4.3Å; F301-V304 HydrophobicContact CB-CG2 4.13Å; F301-V304 WeakPolarHBondContact O-CG2 3.42Å; F301-V304 PolarHBondContact O-N 2.97Å; F301-V304 VanDerWaalsContact O-O 3.08Å; V304-C306 VanDerWaalsContact C-N 3.33Å; V304-C306 PolarHBondContact O-N 3.45Å; V304-P307 HydrophobicContact CG2-CB 3.93Å
305	R	82.3	Confident	90.3	Very high	247 Å²	247	58.8 Å²	58.8	93%	0.932	32%	0.315	S	S	*	.	S	Bend	trans	-68.6	-33.4	176.9	-176.8	179.4	176.8	-166.2	-0.5	112.7
306	C	83.3	Confident	90.2	Very high	40 Å²	40	56.1 Å²	56.1	27%	0.27	30%	0.303	S	S	.	.	S	Bend	trans	-142.1	118.2	176.9	-172	0	0	0	0	107	V304 N308	V304-C306 VanDerWaalsContact C-N 3.33Å; V304-C306 PolarHBondContact O-N 3.45Å; C306-N308 PolarHBondContact O-N 3.09Å
307	P	89.1	Confident	90.2	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.311	C	S	.	.			trans	-82.1	52.8	-176.6	37.9	-40.2	0	0	0	110.9	F268 F301 V304 P309 P336	F268-P307 HydrophobicContact CB-CB 3.9Å; F301-P307 HydrophobicContact CD2-CB 4.35Å; F301-P307 HydrophobicContact CD2-CG 3.64Å; F301-P307 HydrophobicContact CE2-CG 3.83Å; F301-P307 HydrophobicContact CG-CB 4.36Å; F301-P307 HydrophobicContact CG-CG 4.13Å; F301-P307 HydrophobicContact CZ-CG 4.47Å; V304-P307 HydrophobicContact CG2-CB 3.93Å; P307-P309 WeakPolarHBondContact O-CD 3.49Å; P307-P336 HydrophobicContact CB-CG 3.51Å; P307-P336 HydrophobicContact CG-CG 3.43Å; P307-P336 VanDerWaalsContact CG-CG 3.43Å; P307-P336 WeakPolarHBondContact O-CD 3.09Å
308	N	91.4	Very high	90.4	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.043	30%	0.303	C	S	.	.			trans	-109.3	101.7	-177	-174	19.2	0	0	0	111.3	H178 C306 E310 E311 V315	H178-N308 HydrophobicContact CB-CB 3.88Å; C306-N308 PolarHBondContact O-N 3.09Å; N308-E310 PolarHBondContact O-N 3.48Å; N308-E310 VanDerWaalsContact OD1-CB 3.25Å; N308-E310 WeakPolarHBondContact OD1-CB 3.02Å; N308-E310 PolarHBondContact OD1-N 3.06Å; N308-E311 HydrophobicContact CB-CG 4.32Å; N308-E311 PolarHBondContact ND2-OE1 2.83Å; N308-E311 PolarHBondContact O-N 3.34Å; N308-V315 WeakPolarHBondContact O-CG2 3.42Å
309	P	91.4	Very high	90.5	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.013	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.9	-17.4	178.3	-6	11.5	0	0	0	113.9	F268 P307 E311 G312 A333 D335 A342 I440	F268-P309 HydrophobicContact CD2-CG 4.12Å; F268-P309 HydrophobicContact CE2-CB 3.86Å; F268-P309 HydrophobicContact CE2-CG 3.75Å; P307-P309 WeakPolarHBondContact O-CD 3.49Å; P309-E311 VanDerWaalsContact C-N 3.27Å; P309-E311 PolarHBondContact O-N 2.92Å; P309-G312 PolarHBondContact O-N 3.23Å; P309-A333 HydrophobicContact CB-CB 4.38Å; P309-D335 HydrophobicContact CG-CB 3.83Å; P309-A342 HydrophobicContact CB-CB 3.46Å; P309-A342 VanDerWaalsContact CB-CB 3.46Å; P309-I440 HydrophobicContact CB-CD1 3.58Å; P309-I440 HydrophobicContact CG-CD1 3.86Å
310	E	89.3	Confident	90.7	Very high	76 Å²	76	54.5 Å²	54.5	36%	0.355	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-67	-21.7	179	-161	-177.9	157.8	0	0	113.2	N308 G312 R340 S439 I440	N308-E310 PolarHBondContact O-N 3.48Å; N308-E310 VanDerWaalsContact OD1-CB 3.25Å; N308-E310 WeakPolarHBondContact OD1-CB 3.02Å; N308-E310 PolarHBondContact OD1-N 3.06Å; E310-G312 PolarHBondContact O-N 2.84Å; E310-R340 IonicContact OE2-CZ 2.79Å; E310-R340 IonicContact OE2-NH1 2.69Å; E310-R340 PolarHBondContact OE2-NH1 3.15Å; E310-S439 WeakPolarHBondContact OE2-CB 3.48Å; E310-I440 HydrophobicContact CB-CD1 3.99Å; E310-I440 HydrophobicContact CB-CG1 4.12Å; E310-I440 HydrophobicContact CG-CG1 4.39Å
311	E	87.3	Confident	90.9	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.379	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-78.4	4.3	176.1	-52.9	-64.2	154.1	0	0	113.3	N308 P309 S314 V315 R622	N308-E311 HydrophobicContact CB-CG 4.32Å; N308-E311 PolarHBondContact ND2-OE1 2.83Å; N308-E311 PolarHBondContact O-N 3.34Å; P309-E311 VanDerWaalsContact C-N 3.27Å; P309-E311 PolarHBondContact O-N 2.92Å; E311-S314 PolarHBondContact O-OG 2.86Å; E311-V315 HydrophobicContact CB-CG1 4.15Å; E311-V315 HydrophobicContact CB-CG2 4.47Å; E311-R622 IonicContact OE2-CZ 3.53Å; E311-R622 IonicContact OE2-NH2 3.31Å; E311-R622 PolarHBondContact OE2-NH2 3.03Å
312	G	86.9	Confident	91.2	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-137.4	166.9	0	0	0	0	0	114.9	P309 E310 S314 V315 L316	P309-G312 PolarHBondContact O-N 3.23Å; E310-G312 PolarHBondContact O-N 2.84Å; G312-S314 PolarHBondContact O-N 2.81Å; G312-S314 VanDerWaalsContact O-N 3.08Å; G312-V315 WeakPolarHBondContact O-CG2 3.43Å; G312-V315 PolarHBondContact O-N 3.04Å; G312-V315 VanDerWaalsContact O-N 3.07Å; G312-L316 WeakPolarHBondContact O-CG 3.45Å; G312-L316 PolarHBondContact O-N 3.33Å
313	E	87.6	Confident	91.4	Very high	129 Å²	129	52.3 Å²	52.3	60%	0.603	26%	0.264	S	S	*	.	H	α-helix	trans	-51.5	-36.9	-173	-171.8	169.8	-163.9	0	0	113.1	V315 L316 E317 L320 V354	E313-V315 PolarHBondContact O-N 2.88Å; E313-V315 VanDerWaalsContact O-N 3.14Å; E313-L316 PolarHBondContact O-N 3.1Å; E313-E317 PolarHBondContact O-N 3.47Å; E313-L320 HydrophobicContact CG-CD1 3.84Å; E313-V354 HydrophobicContact CB-CG2 4.39Å
314	S	88.6	Confident	91.6	Very high	92 Å²	92	54 Å²	54	64%	0.643	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-23.4	-179.4	69.9	0	0	0	0	115.4	E311 G312	E311-S314 PolarHBondContact O-OG 2.86Å; G312-S314 PolarHBondContact O-N 2.81Å; G312-S314 VanDerWaalsContact O-N 3.08Å
315	V	90.3	Very high	92	Very high	21 Å²	21	60.8 Å²	60.8	13%	0.127	29%	0.29	C	S	.	.	H	α-helix	trans	-108.8	-7.7	175.8	-64.4	0	0	0	0	112.9	F268 N308 E311 G312 E313	F268-V315 VanDerWaalsContact CE1-O 3.25Å; F268-V315 WeakPolarHBondContact CE1-O 3.19Å; F268-V315 HydrophobicContact CZ-CB 4.21Å; F268-V315 HydrophobicContact CZ-CG2 4.12Å; F268-V315 WeakPolarHBondContact CZ-O 3.49Å; N308-V315 WeakPolarHBondContact O-CG2 3.42Å; E311-V315 HydrophobicContact CB-CG1 4.15Å; E311-V315 HydrophobicContact CB-CG2 4.47Å; G312-V315 WeakPolarHBondContact O-CG2 3.43Å; G312-V315 PolarHBondContact O-N 3.04Å; G312-V315 VanDerWaalsContact O-N 3.07Å; E313-V315 PolarHBondContact O-N 2.88Å; E313-V315 VanDerWaalsContact O-N 3.14Å
316	L	95.4	Very high	92.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-96.1	-1.6	-176.7	-66.9	174.3	0	0	0	113.7	F268 G312 E313 L318 S319 L320 I331 A333 A344 V354	F268-L316 HydrophobicContact CZ-CD2 4.15Å; G312-L316 WeakPolarHBondContact O-CG 3.45Å; G312-L316 PolarHBondContact O-N 3.33Å; E313-L316 PolarHBondContact O-N 3.1Å; L316-L318 PolarHBondContact O-N 3.43Å; L316-S319 CarbonylContact O-C 3.54Å; L316-S319 WeakPolarHBondContact O-CA 3.48Å; L316-S319 VanDerWaalsContact O-CB 3.28Å; L316-S319 WeakPolarHBondContact O-CB 3.31Å; L316-S319 PolarHBondContact O-N 3.36Å; L316-L320 HydrophobicContact CB-CD1 3.94Å; L316-L320 HydrophobicContact CB-CG 4.16Å; L316-L320 WeakPolarHBondContact O-CG 3.44Å; L316-L320 PolarHBondContact O-N 3.48Å; L316-I331 HydrophobicContact CD2-CG2 4.24Å; L316-A333 HydrophobicContact CD2-CB 3.52Å; L316-A344 HydrophobicContact CD1-CB 4.41Å; L316-V354 HydrophobicContact CD1-CG1 4.29Å; L316-V354 HydrophobicContact CD1-CG2 4.2Å
317	E	94.9	Very high	93.3	Very high	132 Å²	132	55 Å²	55	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-44.4	-52.8	-175	-173.9	178.5	-167.6	0	0	114.1	E313 S319 L320 L321	E313-E317 PolarHBondContact O-N 3.47Å; E317-S319 VanDerWaalsContact C-N 3.29Å; E317-S319 PolarHBondContact O-N 3.19Å; E317-L320 PolarHBondContact O-N 2.94Å; E317-L321 HydrophobicContact CG-CD1 4.1Å; E317-L321 WeakPolarHBondContact O-CG 3.4Å; E317-L321 PolarHBondContact O-N 3.33Å
318	L	96.6	Very high	93.7	Very high	54 Å²	54	54.9 Å²	54.9	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-34	178.4	-64.8	-179.2	0	0	0	112.9	V291 E293 Q294 L316 L322	V291-L318 HydrophobicContact CG1-CB 3.95Å; E293-L318 HydrophobicContact CB-CD1 4.02Å; E293-L318 HydrophobicContact CG-CD1 4.36Å; Q294-L318 HydrophobicContact CG-CD1 4.3Å; L316-L318 PolarHBondContact O-N 3.43Å; L318-L322 VanDerWaalsContact O-CB 3.3Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 PolarHBondContact O-N 3.23Å; L318-L322 VanDerWaalsContact O-N 3.09Å
319	S	97.5	Very high	93.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.9	-38.2	175.7	-56.8	0	0	0	0	111.7	V291 L316 E317 A323	V291-S319 WeakPolarHBondContact CG2-OG 3.41Å; L316-S319 CarbonylContact O-C 3.54Å; L316-S319 WeakPolarHBondContact O-CA 3.48Å; L316-S319 VanDerWaalsContact O-CB 3.28Å; L316-S319 WeakPolarHBondContact O-CB 3.31Å; L316-S319 PolarHBondContact O-N 3.36Å; E317-S319 VanDerWaalsContact C-N 3.29Å; E317-S319 PolarHBondContact O-N 3.19Å; S319-A323 VanDerWaalsContact O-CB 3.23Å; S319-A323 WeakPolarHBondContact O-CB 3.27Å; S319-A323 PolarHBondContact O-N 3.21Å
320	L	96.4	Very high	94.2	Very high	19 Å²	19	57.7 Å²	57.7	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-48.6	178	-66.3	161.2	0	0	0	111	E313 L316 E317 L322 A323 E324 I331 W352	E313-L320 HydrophobicContact CG-CD1 3.84Å; L316-L320 HydrophobicContact CB-CD1 3.94Å; L316-L320 HydrophobicContact CB-CG 4.16Å; L316-L320 WeakPolarHBondContact O-CG 3.44Å; L316-L320 PolarHBondContact O-N 3.48Å; E317-L320 PolarHBondContact O-N 2.94Å; L320-L322 VanDerWaalsContact C-N 3.34Å; L320-L322 PolarHBondContact O-N 2.85Å; L320-A323 PolarHBondContact O-N 3.35Å; L320-E324 PolarHBondContact O-N 3.32Å; L320-I331 HydrophobicContact CB-CD1 4.39Å; L320-I331 HydrophobicContact CD2-CD1 3.52Å; L320-I331 HydrophobicContact CG-CD1 3.9Å; L320-W352 HydrophobicContact CD2-CB 3.76Å; L320-W352 HydrophobicContact CD2-CD2 3.38Å; L320-W352 HydrophobicContact CD2-CE3 3.9Å; L320-W352 HydrophobicContact CD2-CG 3.29Å
321	L	96.4	Very high	94.6	Very high	108 Å²	108	54.1 Å²	54.1	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-60.2	-42.8	175.7	-69.5	171.9	0	0	0	112	E317 R325	E317-L321 HydrophobicContact CG-CD1 4.1Å; E317-L321 WeakPolarHBondContact O-CG 3.4Å; E317-L321 PolarHBondContact O-N 3.33Å; L321-R325 PolarHBondContact O-N 3.03Å; L321-R325 VanDerWaalsContact O-N 3.13Å
322	L	98.1	Very high	95.2	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-42.3	174.9	180	61.7	0	0	0	111.8	V264 V289 P290 V291 L318 L320 R325 E326	V264-L322 HydrophobicContact CG1-CD2 3.96Å; V264-L322 HydrophobicContact CG1-CG 4.42Å; V264-L322 HydrophobicContact CG2-CB 4.5Å; V264-L322 HydrophobicContact CG2-CD2 4.1Å; V264-L322 HydrophobicContact CG2-CG 3.94Å; V289-L322 HydrophobicContact CG1-CD2 4.26Å; P290-L322 WeakPolarHBondContact O-CD2 3.48Å; V291-L322 HydrophobicContact CB-CD2 4.35Å; V291-L322 HydrophobicContact CG2-CD2 3.88Å; L318-L322 VanDerWaalsContact O-CB 3.3Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 PolarHBondContact O-N 3.23Å; L318-L322 VanDerWaalsContact O-N 3.09Å; L320-L322 VanDerWaalsContact C-N 3.34Å; L320-L322 PolarHBondContact O-N 2.85Å; L322-R325 PolarHBondContact O-N 3.43Å; L322-E326 HydrophobicContact CD1-CG 3.66Å; L322-E326 HydrophobicContact CG-CG 4.17Å; L322-E326 WeakPolarHBondContact O-CB 3.4Å; L322-E326 WeakPolarHBondContact O-CG 3.18Å; L322-E326 PolarHBondContact O-N 3.38Å
323	A	97.4	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-40.1	-178.6	0	0	0	0	0	112.4	V264 S319 L320 N327 A328 I331 W352	V264-A323 HydrophobicContact CB-CB 4.44Å; V264-A323 HydrophobicContact CG2-CB 3.97Å; S319-A323 VanDerWaalsContact O-CB 3.23Å; S319-A323 WeakPolarHBondContact O-CB 3.27Å; S319-A323 PolarHBondContact O-N 3.21Å; L320-A323 PolarHBondContact O-N 3.35Å; A323-N327 CarbonylContact O-C 3.5Å; A323-N327 WeakPolarHBondContact O-CA 3.19Å; A323-N327 PolarHBondContact O-N 3.16Å; A323-A328 HydrophobicContact CB-CB 4.03Å; A323-A328 PolarHBondContact O-N 3.25Å; A323-I331 HydrophobicContact CB-CD1 3.92Å; A323-I331 HydrophobicContact CB-CG1 3.86Å; A323-W352 HydrophobicContact CB-CH2 3.46Å; A323-W352 VanDerWaalsContact CB-CH2 3.46Å; A323-W352 HydrophobicContact CB-CZ2 3.5Å
324	E	95.4	Very high	96.2	Very high	82 Å²	82	43.6 Å²	43.6	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-61.9	-44.4	170.9	-68.1	-61.9	146.4	0	0	111.6	L320 E326 N327 R346 W352	L320-E324 PolarHBondContact O-N 3.32Å; E324-E326 PolarHBondContact O-N 2.85Å; E324-N327 PolarHBondContact O-N 3.1Å; E324-R346 VanDerWaalsContact CD-NE 3.34Å; E324-R346 IonicContact OE1-CZ 3.23Å; E324-R346 IonicContact OE1-NE 2.84Å; E324-R346 PolarHBondContact OE1-NE 3.19Å; E324-R346 IonicContact OE1-NH2 2.75Å; E324-R346 IonicContact OE2-CZ 3.47Å; E324-R346 IonicContact OE2-NE 2.82Å; E324-R346 PolarHBondContact OE2-NE 3.17Å; E324-R346 VanDerWaalsContact OE2-NE 3.17Å; E324-R346 IonicContact OE2-NH2 2.75Å; E324-R346 PolarHBondContact OE2-NH2 2.75Å; E324-W352 PolarHBondContact OE1-NE1 3.17Å
325	R	96.9	Very high	96.6	Very high	165 Å²	165	39.2 Å²	39.2	62%	0.623	18%	0.183	S	C	*	.	H	α-helix	trans	-61.4	-42.9	178.8	-169.5	-171.4	79.3	-161	6.2	112.7	L321 L322 N327	L321-R325 PolarHBondContact O-N 3.03Å; L321-R325 VanDerWaalsContact O-N 3.13Å; L322-R325 PolarHBondContact O-N 3.43Å; R325-N327 VanDerWaalsContact C-N 3.34Å
326	E	97.1	Very high	96.9	Very high	47 Å²	47	38.2 Å²	38.2	22%	0.22	18%	0.177	C	C	.	.	H	α-helix	trans	-85.5	-7.5	-177.4	-62.7	-58.4	147.1	0	0	113.2	K262 V289 L322 E324 A328	K262-E326 WeakPolarHBondContact CD-O 3.39Å; K262-E326 WeakPolarHBondContact CE-O 2.98Å; K262-E326 PolarHBondContact NZ-O 3.33Å; K262-E326 IonicContact NZ-OE2 2.77Å; V289-E326 HydrophobicContact CG1-CG 4.18Å; L322-E326 HydrophobicContact CD1-CG 3.66Å; L322-E326 HydrophobicContact CG-CG 4.17Å; L322-E326 WeakPolarHBondContact O-CB 3.4Å; L322-E326 WeakPolarHBondContact O-CG 3.18Å; L322-E326 PolarHBondContact O-N 3.38Å; E324-E326 PolarHBondContact O-N 2.85Å; E326-A328 VanDerWaalsContact C-N 3.31Å
327	N	95.1	Very high	96.9	Very high	118 Å²	118	38.1 Å²	38.1	63%	0.631	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	46.6	-166.6	-168.5	45.7	0	0	0	112.1	A323 E324 R325	A323-N327 CarbonylContact O-C 3.5Å; A323-N327 WeakPolarHBondContact O-CA 3.19Å; A323-N327 PolarHBondContact O-N 3.16Å; E324-N327 PolarHBondContact O-N 3.1Å; R325-N327 VanDerWaalsContact C-N 3.34Å
328	A	96.8	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.			trans	-84.6	137.7	171.9	0	0	0	0	0	110.9	K262 V264 A323 E326 W352	K262-A328 HydrophobicContact CB-CB 3.86Å; K262-A328 WeakPolarHBondContact O-CA 3.25Å; K262-A328 WeakPolarHBondContact O-CB 3.32Å; V264-A328 HydrophobicContact CG2-CB 3.81Å; A323-A328 HydrophobicContact CB-CB 4.03Å; A323-A328 PolarHBondContact O-N 3.25Å; E326-A328 VanDerWaalsContact C-N 3.31Å; A328-W352 WeakPolarHBondContact O-CH2 2.94Å
329	R	95.6	Very high	97.1	Very high	67 Å²	67	29.3 Å²	29.3	25%	0.253	14%	0.135	S	C	.	.	S	Bend	trans	-86.6	-26.1	-179.6	-169.9	176.1	-179.2	101.7	8.9	112	L261 K262 E345 R346 D348	L261-R329 HydrophobicContact CD2-CB 4.31Å; K262-R329 PolarHBondContact O-N 2.72Å; K262-R329 VanDerWaalsContact O-N 3.14Å; R329-E345 HydrophobicContact CG-CG 4.26Å; R329-E345 IonicContact CZ-OE1 3.35Å; R329-E345 IonicContact NE-OE1 3.17Å; R329-E345 PolarHBondContact NE-OE1 2.97Å; R329-E345 VanDerWaalsContact NE-OE1 3.16Å; R329-E345 IonicContact NH2-OE1 2.71Å; R329-E345 CarbonylContact O-C 3.49Å; R329-E345 WeakPolarHBondContact O-CA 3.47Å; R329-R346 HydrophobicContact CG-CB 4.47Å; R329-R346 PolarHBondContact O-N 3.16Å; R329-D348 IonicContact CZ-OD1 3.26Å; R329-D348 IonicContact CZ-OD2 2.81Å; R329-D348 IonicContact NH1-OD1 2.65Å; R329-D348 PolarHBondContact NH1-OD1 3.31Å; R329-D348 VanDerWaalsContact NH1-OD1 3.13Å; R329-D348 IonicContact NH1-OD2 2.89Å; R329-D348 IonicContact NH2-OD1 2.68Å; R329-D348 IonicContact NH2-OD2 3.52Å; R329-D348 PolarHBondContact NH2-OD2 3.25Å
330	I	98.3	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.3	-169.7	-65.5	170.3	0	0	0	110.7	F263 V264 L332 V343 A344 E345 A464 L474	F263-I330 CarbonylContact C-O 3.55Å; F263-I330 WeakPolarHBondContact CA-O 3.3Å; F263-I330 HydrophobicContact CD1-CB 3.76Å; F263-I330 HydrophobicContact CD1-CD1 4.4Å; F263-I330 HydrophobicContact CD1-CG2 3.84Å; F263-I330 HydrophobicContact CE1-CB 4.06Å; F263-I330 HydrophobicContact CE1-CD1 3.79Å; F263-I330 HydrophobicContact CE1-CG1 4.49Å; F263-I330 HydrophobicContact CE1-CG2 4.19Å; V264-I330 PolarHBondContact N-O 3.48Å; I330-L332 HydrophobicContact CG2-CD2 3.87Å; I330-L332 HydrophobicContact CG2-CG 4.23Å; I330-V343 HydrophobicContact CG2-CG1 4.19Å; I330-A344 WeakPolarHBondContact CA-O 3.26Å; I330-E345 HydrophobicContact CG1-CG 4.38Å; I330-A464 HydrophobicContact CD1-CB 3.22Å; I330-L474 HydrophobicContact CD1-CD1 3.81Å; I330-L474 HydrophobicContact CG1-CD1 4.36Å
331	I	98.7	Very high	97.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136	171	-66.7	161.6	0	0	0	108.3	V264 L316 L320 A323 V343 A344 W352	V264-I331 HydrophobicContact CB-CG1 4.17Å; V264-I331 HydrophobicContact CG1-CG1 4.4Å; V264-I331 WeakPolarHBondContact O-CA 3.32Å; L316-I331 HydrophobicContact CD2-CG2 4.24Å; L320-I331 HydrophobicContact CB-CD1 4.39Å; L320-I331 HydrophobicContact CD2-CD1 3.52Å; L320-I331 HydrophobicContact CG-CD1 3.9Å; A323-I331 HydrophobicContact CB-CD1 3.92Å; A323-I331 HydrophobicContact CB-CG1 3.86Å; I331-V343 WeakPolarHBondContact O-CA 3.2Å; I331-A344 HydrophobicContact CB-CB 4.29Å; I331-A344 PolarHBondContact N-O 2.89Å; I331-A344 PolarHBondContact O-N 2.73Å; I331-A344 VanDerWaalsContact O-N 3.09Å; I331-W352 HydrophobicContact CB-CZ3 4.48Å; I331-W352 HydrophobicContact CD1-CD2 4.35Å; I331-W352 HydrophobicContact CD1-CE3 3.86Å; I331-W352 HydrophobicContact CD1-CH2 3.76Å; I331-W352 HydrophobicContact CD1-CZ2 4.24Å; I331-W352 HydrophobicContact CD1-CZ3 3.54Å; I331-W352 HydrophobicContact CG1-CH2 3.96Å; I331-W352 HydrophobicContact CG1-CZ3 3.79Å
332	L	98.8	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.2	174.1	-55.9	174.6	0	0	0	107.5	F263 V264 H265 S266 F280 I330 L341 V343 A457 V460	F263-L332 HydrophobicContact CD1-CD1 4.29Å; V264-L332 PolarHBondContact O-N 3.14Å; H265-L332 VanDerWaalsContact CA-O 3.27Å; H265-L332 WeakPolarHBondContact CA-O 3.22Å; H265-L332 PolarHBondContact CD2-O 3.14Å; H265-L332 VanDerWaalsContact CD2-O 3.28Å; S266-L332 PolarHBondContact N-O 3.04Å; F280-L332 HydrophobicContact CE2-CD1 3.91Å; F280-L332 HydrophobicContact CZ-CD1 3.57Å; I330-L332 HydrophobicContact CG2-CD2 3.87Å; I330-L332 HydrophobicContact CG2-CG 4.23Å; L332-L341 HydrophobicContact CB-CD1 4.16Å; L332-V343 HydrophobicContact CD2-CG1 4.35Å; L332-V343 HydrophobicContact CD2-CG2 3.91Å; L332-A457 HydrophobicContact CD1-CB 4.22Å; L332-A457 WeakPolarHBondContact CD1-O 3.39Å; L332-V460 HydrophobicContact CD2-CB 4.26Å; L332-V460 HydrophobicContact CD2-CG1 3.87Å
333	A	98.3	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	113.9	-179.4	0	0	0	0	0	110.9	S266 F268 P309 L316 L341 A342	S266-A333 WeakPolarHBondContact O-CA 3.29Å; F268-A333 HydrophobicContact CE2-CB 4.11Å; F268-A333 HydrophobicContact CZ-CB 4.19Å; P309-A333 HydrophobicContact CB-CB 4.38Å; L316-A333 HydrophobicContact CD2-CB 3.52Å; A333-L341 CarbonylContact O-C 3.49Å; A333-L341 WeakPolarHBondContact O-CA 3.4Å; A333-A342 HydrophobicContact CB-CB 4.39Å; A333-A342 PolarHBondContact N-O 3.11Å; A333-A342 PolarHBondContact O-N 2.89Å
334	T	98	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145.8	176	52.8	0	0	0	0	110.4	H265 S266 S267 V276 R340 L341	H265-T334 PolarHBondContact NE2-OG1 2.94Å; H265-T334 VanDerWaalsContact NE2-OG1 3.13Å; S266-T334 PolarHBondContact O-N 3.2Å; S266-T334 PolarHBondContact O-OG1 2.82Å; S267-T334 CarbonylContact C-O 3.43Å; V276-T334 HydrophobicContact CG2-CG2 4.29Å; T334-R340 WeakPolarHBondContact CA-O 3.43Å; T334-L341 HydrophobicContact CG2-CD1 4.16Å
335	D	96.4	Very high	97.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.089	C	C	.	.			trans	-75	174.5	173.9	79.1	-39.8	0	0	0	112.1	S177 H178 P309 D337 A338 D339 R340	S177-D335 PolarHBondContact OG-OD2 2.91Å; H178-D335 HydrophobicContact CB-CB 4.34Å; H178-D335 PolarHBondContact N-OD2 3.35Å; P309-D335 HydrophobicContact CG-CB 3.83Å; D335-D337 VanDerWaalsContact C-N 3.32Å; D335-D337 PolarHBondContact O-N 3.05Å; D335-D337 VanDerWaalsContact OD2-OD1 3.08Å; D335-A338 WeakPolarHBondContact O-CA 3.44Å; D335-A338 PolarHBondContact O-N 2.89Å; D335-A338 WeakPolarHBondContact OD1-CA 3.25Å; D335-A338 PolarHBondContact OD1-N 2.81Å; D335-D339 PolarHBondContact OD1-N 2.68Å; D335-R340 HydrophobicContact CB-CB 4.05Å; D335-R340 PolarHBondContact OD1-N 3.02Å; D335-R340 WeakPolarHBondContact OD2-CD 3.32Å
336	P	95.9	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.2	-168.3	-32.5	37.6	0	0	0	116.7	G270 V271 F301 P307	G270-P336 CarbonylContact C-O 3.52Å; G270-P336 WeakPolarHBondContact CA-O 3.44Å; V271-P336 WeakPolarHBondContact CG2-O 3.27Å; V271-P336 PolarHBondContact N-O 3.27Å; F301-P336 HydrophobicContact CE1-CB 3.91Å; F301-P336 HydrophobicContact CE1-CG 4.06Å; F301-P336 HydrophobicContact CE2-CG 4.43Å; F301-P336 HydrophobicContact CZ-CB 3.89Å; F301-P336 HydrophobicContact CZ-CG 3.94Å; P307-P336 HydrophobicContact CB-CG 3.51Å; P307-P336 HydrophobicContact CG-CG 3.43Å; P307-P336 VanDerWaalsContact CG-CG 3.43Å; P307-P336 WeakPolarHBondContact O-CD 3.09Å
337	D	97	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	9.7	175.5	69.3	-29.2	0	0	0	113.1	D118 P155 T156 M173 T175 S177 K187 D335 D339	D118-D337 HydrophobicContact CB-CB 4.28Å; P155-D337 CarbonylContact C-O 3.48Å; P155-D337 WeakPolarHBondContact CA-O 3.4Å; T156-D337 WeakPolarHBondContact CB-OD2 3.36Å; T156-D337 PolarHBondContact N-O 2.84Å; T156-D337 WeakPolarHBondContact OG1-CB 3.09Å; T156-D337 VanDerWaalsContact OG1-CG 3.32Å; T156-D337 PolarHBondContact OG1-OD2 3.2Å; M173-D337 HydrophobicContact CE-CB 4.36Å; T175-D337 HydrophobicContact CG2-CB 4.3Å; T175-D337 WeakPolarHBondContact CG2-OD2 3.5Å; T175-D337 WeakPolarHBondContact OG1-CB 3.4Å; S177-D337 WeakPolarHBondContact CA-OD1 3.44Å; S177-D337 VanDerWaalsContact CB-OD1 3.25Å; S177-D337 WeakPolarHBondContact CB-OD1 3.42Å; S177-D337 PolarHBondContact OG-OD1 3.21Å; K187-D337 IonicContact NZ-OD2 3.25Å; K187-D337 PolarHBondContact NZ-OD2 2.9Å; D335-D337 VanDerWaalsContact C-N 3.32Å; D335-D337 PolarHBondContact O-N 3.05Å; D335-D337 VanDerWaalsContact OD2-OD1 3.08Å; D337-D339 PolarHBondContact O-N 3.37Å
338	A	97.6	Very high	95.8	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	53	34.1	174.7	0	0	0	0	0	114.8	P155 V271 D335 G453 V454	P155-A338 HydrophobicContact CB-CB 4.24Å; V271-A338 HydrophobicContact CG2-CB 4.01Å; D335-A338 WeakPolarHBondContact O-CA 3.44Å; D335-A338 PolarHBondContact O-N 2.89Å; D335-A338 WeakPolarHBondContact OD1-CA 3.25Å; D335-A338 PolarHBondContact OD1-N 2.81Å; A338-G453 WeakPolarHBondContact O-CA 3.34Å; A338-G453 PolarHBondContact O-N 3.24Å; A338-V454 HydrophobicContact CB-CG2 4.07Å
339	D	97.3	Very high	94.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.108	C	C	.	.			trans	-92.8	-5.5	170.7	89.8	14.1	0	0	0	112.8	T156 K187 D335 D337 K451	T156-D339 HydrophobicContact CG2-CB 4Å; K187-D339 IonicContact NZ-OD2 3.06Å; K187-D339 PolarHBondContact NZ-OD2 2.73Å; D335-D339 PolarHBondContact OD1-N 2.68Å; D337-D339 PolarHBondContact O-N 3.37Å; D339-K451 HydrophobicContact CB-CB 4.15Å; D339-K451 VanDerWaalsContact CG-NZ 3.27Å; D339-K451 WeakPolarHBondContact O-CB 3.36Å; D339-K451 WeakPolarHBondContact OD1-CE 3.42Å; D339-K451 IonicContact OD1-NZ 2.7Å; D339-K451 WeakPolarHBondContact OD2-CE 3.49Å; D339-K451 IonicContact OD2-NZ 2.64Å; D339-K451 PolarHBondContact OD2-NZ 2.65Å
340	R	97.6	Very high	93.3	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.079	13%	0.131	C	C	.	.			trans	-122.6	162.2	175.4	-66	167.2	176.6	-124.5	-21.2	113.6	H178 E310 T334 D335 S439 I440	H178-R340 VanDerWaalsContact CE1-CZ 3.46Å; H178-R340 VanDerWaalsContact ND1-CZ 3.34Å; H178-R340 PolarHBondContact ND1-NE 2.71Å; E310-R340 IonicContact OE2-CZ 2.79Å; E310-R340 IonicContact OE2-NH1 2.69Å; E310-R340 PolarHBondContact OE2-NH1 3.15Å; T334-R340 WeakPolarHBondContact CA-O 3.43Å; D335-R340 HydrophobicContact CB-CB 4.05Å; D335-R340 PolarHBondContact OD1-N 3.02Å; D335-R340 WeakPolarHBondContact OD2-CD 3.32Å; R340-S439 PolarHBondContact NH2-OG 3.38Å; R340-S439 VanDerWaalsContact NH2-OG 3.12Å; R340-I440 WeakPolarHBondContact CA-O 3.22Å; R340-I440 HydrophobicContact CB-CD1 3.9Å; R340-I440 HydrophobicContact CB-CG1 3.95Å; R340-I440 WeakPolarHBondContact CB-O 2.9Å; R340-I440 HydrophobicContact CG-CD1 4.48Å; R340-I440 HydrophobicContact CG-CG1 4.13Å
341	L	98.4	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	118.8	173.3	179.7	70.5	0	0	0	112.3	L332 A333 T334 V343 I440 F442 A456 A457 V460	L332-L341 HydrophobicContact CB-CD1 4.16Å; A333-L341 CarbonylContact O-C 3.49Å; A333-L341 WeakPolarHBondContact O-CA 3.4Å; T334-L341 HydrophobicContact CG2-CD1 4.16Å; L341-V343 HydrophobicContact CD2-CG2 3.83Å; L341-V343 HydrophobicContact CG-CG2 3.92Å; L341-I440 PolarHBondContact N-O 2.99Å; L341-F442 HydrophobicContact CB-CD2 4.26Å; L341-F442 HydrophobicContact CB-CE2 4.35Å; L341-F442 WeakPolarHBondContact O-CE2 3.49Å; L341-A456 HydrophobicContact CB-CB 4.43Å; L341-A456 HydrophobicContact CD2-CB 3.74Å; L341-A457 HydrophobicContact CD1-CB 4.01Å; L341-A457 HydrophobicContact CD2-CB 4.36Å; L341-V460 HydrophobicContact CD2-CG2 4.09Å
342	A	98.3	Very high	92.7	Very high	2 Å²	2	27 Å²	27	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.3	158	0	0	0	0	0	110.8	P309 A333 I440	P309-A342 HydrophobicContact CB-CB 3.46Å; P309-A342 VanDerWaalsContact CB-CB 3.46Å; A333-A342 HydrophobicContact CB-CB 4.39Å; A333-A342 PolarHBondContact N-O 3.11Å; A333-A342 PolarHBondContact O-N 2.89Å; A342-I440 HydrophobicContact CB-CD1 4.4Å
343	V	98.6	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.2	176	180	0	0	0	0	109	I330 I331 L332 L341 F355 L360 V460 L474	I330-V343 HydrophobicContact CG2-CG1 4.19Å; I331-V343 WeakPolarHBondContact O-CA 3.2Å; L332-V343 HydrophobicContact CD2-CG1 4.35Å; L332-V343 HydrophobicContact CD2-CG2 3.91Å; L341-V343 HydrophobicContact CD2-CG2 3.83Å; L341-V343 HydrophobicContact CG-CG2 3.92Å; V343-F355 HydrophobicContact CB-CD2 4.29Å; V343-F355 HydrophobicContact CG1-CD2 4.06Å; V343-F355 HydrophobicContact CG1-CE2 4.42Å; V343-F355 PolarHBondContact O-N 3.39Å; V343-L360 HydrophobicContact CB-CD1 4.26Å; V343-L360 HydrophobicContact CB-CD2 3.99Å; V343-L360 HydrophobicContact CG2-CD1 3.96Å; V343-L360 HydrophobicContact CG2-CD2 3.46Å; V343-L360 VanDerWaalsContact CG2-CD2 3.46Å; V343-L360 HydrophobicContact CG2-CG 4.39Å; V343-V460 HydrophobicContact CG1-CG1 4.04Å; V343-V460 HydrophobicContact CG2-CG1 4.08Å; V343-V460 HydrophobicContact CG2-CG2 4.18Å; V343-L474 HydrophobicContact CG1-CD1 4.34Å
344	A	98	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.3	166.3	0	0	0	0	0	110.4	L316 I330 I331 W352 K353 V354	L316-A344 HydrophobicContact CD1-CB 4.41Å; I330-A344 WeakPolarHBondContact CA-O 3.26Å; I331-A344 HydrophobicContact CB-CB 4.29Å; I331-A344 PolarHBondContact N-O 2.89Å; I331-A344 PolarHBondContact O-N 2.73Å; I331-A344 VanDerWaalsContact O-N 3.09Å; A344-W352 HydrophobicContact CB-CE3 3.89Å; A344-W352 HydrophobicContact CB-CZ3 4.44Å; A344-K353 CarbonylContact C-O 3.58Å; A344-K353 VanDerWaalsContact CA-O 3.27Å; A344-K353 WeakPolarHBondContact CA-O 3.17Å; A344-V354 HydrophobicContact CB-CG2 4.08Å
345	E	97.4	Very high	92.4	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.5	173.7	-179	-179.9	-144.3	0	0	110.5	R329 I330 S347 W352 K353 F355 S473 L474 N475	R329-E345 HydrophobicContact CG-CG 4.26Å; R329-E345 IonicContact CZ-OE1 3.35Å; R329-E345 IonicContact NE-OE1 3.17Å; R329-E345 PolarHBondContact NE-OE1 2.97Å; R329-E345 VanDerWaalsContact NE-OE1 3.16Å; R329-E345 IonicContact NH2-OE1 2.71Å; R329-E345 CarbonylContact O-C 3.49Å; R329-E345 WeakPolarHBondContact O-CA 3.47Å; I330-E345 HydrophobicContact CG1-CG 4.38Å; E345-S347 PolarHBondContact O-N 2.9Å; E345-W352 VanDerWaalsContact C-CE3 3.42Å; E345-K353 PolarHBondContact N-O 3.33Å; E345-K353 PolarHBondContact O-N 2.93Å; E345-F355 HydrophobicContact CB-CE2 3.73Å; E345-F355 HydrophobicContact CB-CZ 4.19Å; E345-S473 WeakPolarHBondContact OE1-CA 3.14Å; E345-S473 WeakPolarHBondContact OE1-CB 3.35Å; E345-S473 WeakPolarHBondContact OE2-CB 3.44Å; E345-L474 PolarHBondContact OE1-N 2.99Å; E345-L474 VanDerWaalsContact OE1-N 3.12Å; E345-L474 WeakPolarHBondContact OE2-CA 3.37Å; E345-L474 WeakPolarHBondContact OE2-CB 3.39Å; E345-L474 PolarHBondContact OE2-N 2.94Å; E345-N475 PolarHBondContact OE2-N 2.99Å
346	R	94.8	Very high	92.4	Very high	85 Å²	85	33.6 Å²	33.6	32%	0.321	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	114.2	171.3	-163.1	174	-170.2	-101.6	10.5	109.6	E324 R329 W352	E324-R346 VanDerWaalsContact CD-NE 3.34Å; E324-R346 IonicContact OE1-CZ 3.23Å; E324-R346 IonicContact OE1-NE 2.84Å; E324-R346 PolarHBondContact OE1-NE 3.19Å; E324-R346 IonicContact OE1-NH2 2.75Å; E324-R346 IonicContact OE2-CZ 3.47Å; E324-R346 IonicContact OE2-NE 2.82Å; E324-R346 PolarHBondContact OE2-NE 3.17Å; E324-R346 VanDerWaalsContact OE2-NE 3.17Å; E324-R346 IonicContact OE2-NH2 2.75Å; E324-R346 PolarHBondContact OE2-NH2 2.75Å; R329-R346 HydrophobicContact CG-CB 4.47Å; R329-R346 PolarHBondContact O-N 3.16Å; R346-W352 HydrophobicContact CB-CD2 4.25Å; R346-W352 HydrophobicContact CB-CE3 4.22Å; R346-W352 HydrophobicContact CB-CH2 3.8Å; R346-W352 HydrophobicContact CB-CZ2 3.83Å; R346-W352 HydrophobicContact CB-CZ3 4.01Å; R346-W352 HydrophobicContact CG-CH2 4.49Å; R346-W352 HydrophobicContact CG-CZ2 4.01Å
347	S	84.4	Confident	92.5	Very high	30 Å²	30	33.7 Å²	33.7	21%	0.21	20%	0.197	C	C	.	.			trans	-80.3	138.1	176.4	-168.1	0	0	0	0	110.2	E345 G349 H350 G351	E345-S347 PolarHBondContact O-N 2.9Å; S347-G349 PolarHBondContact O-N 3.43Å; S347-H350 PolarHBondContact O-N 2.97Å; S347-G351 WeakPolarHBondContact CB-O 3.37Å; S347-G351 PolarHBondContact N-O 3.5Å
348	D	75.4	Confident	92.5	Very high	100 Å²	100	34.2 Å²	34.2	54%	0.535	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	92.5	-176.4	-60.8	-61.4	0	0	0	110.2	R329	R329-D348 IonicContact CZ-OD1 3.26Å; R329-D348 IonicContact CZ-OD2 2.81Å; R329-D348 IonicContact NH1-OD1 2.65Å; R329-D348 PolarHBondContact NH1-OD1 3.31Å; R329-D348 VanDerWaalsContact NH1-OD1 3.13Å; R329-D348 IonicContact NH1-OD2 2.89Å; R329-D348 IonicContact NH2-OD1 2.68Å; R329-D348 IonicContact NH2-OD2 3.52Å; R329-D348 PolarHBondContact NH2-OD2 3.25Å
349	G	68.8	Low	92.5	Very high	78 Å²	78	35.9 Å²	35.9	80%	0.804	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.6	-0.9	179	0	0	0	0	0	116.5	S347	S347-G349 PolarHBondContact O-N 3.43Å
350	H	72	Confident	92.6	Very high	160 Å²	160	35.9 Å²	35.9	74%	0.741	21%	0.207	S	C	*	.	S	Bend	trans	-126.5	24.3	-171	-62.4	-76.5	0	0	0	114.7	S347	S347-H350 PolarHBondContact O-N 2.97Å
351	G	89.1	Confident	92.6	Very high	41 Å²	41	34.9 Å²	34.9	42%	0.423	20%	0.204	S	C	.	.			trans	73.7	-142.7	-178.6	0	0	0	0	0	112.5	S347	S347-G351 WeakPolarHBondContact CB-O 3.37Å; S347-G351 PolarHBondContact N-O 3.5Å
352	W	94.4	Very high	92.7	Very high	42 Å²	42	34.9 Å²	34.9	16%	0.159	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.1	-173.9	-74.8	84.4	0	0	0	112.3	L320 A323 E324 A328 I331 A344 E345 R346	L320-W352 HydrophobicContact CD2-CB 3.76Å; L320-W352 HydrophobicContact CD2-CD2 3.38Å; L320-W352 HydrophobicContact CD2-CE3 3.9Å; L320-W352 HydrophobicContact CD2-CG 3.29Å; A323-W352 HydrophobicContact CB-CH2 3.46Å; A323-W352 VanDerWaalsContact CB-CH2 3.46Å; A323-W352 HydrophobicContact CB-CZ2 3.5Å; E324-W352 PolarHBondContact OE1-NE1 3.17Å; A328-W352 WeakPolarHBondContact O-CH2 2.94Å; I331-W352 HydrophobicContact CB-CZ3 4.48Å; I331-W352 HydrophobicContact CD1-CD2 4.35Å; I331-W352 HydrophobicContact CD1-CE3 3.86Å; I331-W352 HydrophobicContact CD1-CH2 3.76Å; I331-W352 HydrophobicContact CD1-CZ2 4.24Å; I331-W352 HydrophobicContact CD1-CZ3 3.54Å; I331-W352 HydrophobicContact CG1-CH2 3.96Å; I331-W352 HydrophobicContact CG1-CZ3 3.79Å; A344-W352 HydrophobicContact CB-CE3 3.89Å; A344-W352 HydrophobicContact CB-CZ3 4.44Å; E345-W352 VanDerWaalsContact C-CE3 3.42Å; R346-W352 HydrophobicContact CB-CD2 4.25Å; R346-W352 HydrophobicContact CB-CE3 4.22Å; R346-W352 HydrophobicContact CB-CH2 3.8Å; R346-W352 HydrophobicContact CB-CZ2 3.83Å; R346-W352 HydrophobicContact CB-CZ3 4.01Å; R346-W352 HydrophobicContact CG-CH2 4.49Å; R346-W352 HydrophobicContact CG-CZ2 4.01Å
353	K	95.1	Very high	92.7	Very high	53 Å²	53	34.8 Å²	34.8	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	103.5	168.3	172.3	53.7	-177.9	156	0	108.4	A344 E345 F355 E359 N475	A344-K353 CarbonylContact C-O 3.58Å; A344-K353 VanDerWaalsContact CA-O 3.27Å; A344-K353 WeakPolarHBondContact CA-O 3.17Å; E345-K353 PolarHBondContact N-O 3.33Å; E345-K353 PolarHBondContact O-N 2.93Å; K353-F355 HydrophobicContact CG-CD1 4.33Å; K353-F355 HydrophobicContact CG-CE1 3.98Å; K353-F355 HydrophobicContact CG-CE2 4.29Å; K353-F355 HydrophobicContact CG-CZ 3.95Å; K353-E359 VanDerWaalsContact CE-OE1 3.23Å; K353-E359 WeakPolarHBondContact CE-OE1 3.49Å; K353-E359 IonicContact NZ-OE1 3.37Å; K353-E359 PolarHBondContact NZ-OE1 3.1Å; K353-E359 IonicContact NZ-OE2 3.93Å; K353-E359 PolarHBondContact NZ-OE2 3.25Å; K353-N475 HydrophobicContact CG-CB 4.49Å
354	V	96.1	Very high	92.7	Very high	34 Å²	34	34.8 Å²	34.8	21%	0.206	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.2	163.6	-173.6	0	0	0	0	108.3	E313 L316 A344	E313-V354 HydrophobicContact CB-CG2 4.39Å; L316-V354 HydrophobicContact CD1-CG1 4.29Å; L316-V354 HydrophobicContact CD1-CG2 4.2Å; A344-V354 HydrophobicContact CB-CG2 4.08Å
355	F	97.2	Very high	92.7	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.026	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-87	130.6	176.3	-63.1	-86	0	0	0	109.9	V343 E345 K353 E359 L360 L363 L474 N475 L478	V343-F355 HydrophobicContact CB-CD2 4.29Å; V343-F355 HydrophobicContact CG1-CD2 4.06Å; V343-F355 HydrophobicContact CG1-CE2 4.42Å; V343-F355 PolarHBondContact O-N 3.39Å; E345-F355 HydrophobicContact CB-CE2 3.73Å; E345-F355 HydrophobicContact CB-CZ 4.19Å; K353-F355 HydrophobicContact CG-CD1 4.33Å; K353-F355 HydrophobicContact CG-CE1 3.98Å; K353-F355 HydrophobicContact CG-CE2 4.29Å; K353-F355 HydrophobicContact CG-CZ 3.95Å; F355-E359 HydrophobicContact CB-CB 4.36Å; F355-E359 HydrophobicContact CD1-CB 4.15Å; F355-L360 HydrophobicContact CB-CB 4.2Å; F355-L363 HydrophobicContact CD1-CD1 4.12Å; F355-L363 HydrophobicContact CE1-CD1 3.92Å; F355-L363 HydrophobicContact CZ-CD1 4.4Å; F355-L474 HydrophobicContact CE2-CB 4.17Å; F355-L474 HydrophobicContact CE2-CD1 4.4Å; F355-L474 HydrophobicContact CZ-CB 3.71Å; F355-N475 HydrophobicContact CE1-CB 4.33Å; F355-N475 HydrophobicContact CZ-CB 4.15Å; F355-L478 HydrophobicContact CD1-CD2 4.12Å; F355-L478 HydrophobicContact CE1-CD2 4.04Å
356	S	96.9	Very high	92.8	Very high	46 Å²	46	36.1 Å²	36.1	32%	0.322	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-65.9	159.7	164.8	62.9	0	0	0	0	110.6	N358 E359 L360	S356-N358 PolarHBondContact O-N 2.89Å; S356-E359 WeakPolarHBondContact CB-OE2 3.34Å; S356-E359 PolarHBondContact N-OE2 3.31Å; S356-E359 PolarHBondContact O-N 3.42Å; S356-E359 VanDerWaalsContact O-N 3.11Å; S356-E359 VanDerWaalsContact OG-CG 3.24Å; S356-E359 WeakPolarHBondContact OG-CG 3.28Å; S356-E359 PolarHBondContact OG-N 3.32Å; S356-E359 PolarHBondContact OG-OE2 3.07Å; S356-L360 PolarHBondContact O-N 3.01Å
357	G	97.2	Very high	93	Very high	3 Å²	3	32 Å²	32	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-32.4	177.9	0	0	0	0	0	113.4	A361 E438 F442	G357-A361 WeakPolarHBondContact O-CB 3.45Å; G357-A361 PolarHBondContact O-N 2.85Å; G357-E438 WeakPolarHBondContact CA-O 3.37Å; G357-F442 WeakPolarHBondContact O-CE1 3.49Å
358	N	98	Very high	93.6	Very high	10 Å²	10	31 Å²	31	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-43.9	174.4	-71.9	-29.9	0	0	0	112.8	S356 A361 A362 S394 F436 S490	S356-N358 PolarHBondContact O-N 2.89Å; N358-A361 PolarHBondContact O-N 3.06Å; N358-A362 PolarHBondContact O-N 2.8Å; N358-S394 VanDerWaalsContact OD1-CB 3.29Å; N358-S394 WeakPolarHBondContact OD1-CB 3.44Å; N358-S394 PolarHBondContact OD1-N 3.15Å; N358-F436 WeakPolarHBondContact OD1-CE2 3.32Å; N358-S490 PolarHBondContact ND2-OG 2.96Å
359	E	98.2	Very high	94.7	Very high	35 Å²	35	26.5 Å²	26.5	16%	0.164	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-41.4	177.2	-69.9	168	118.8	0	0	111.9	K353 F355 S356 A361 A362 L363 L478	K353-E359 VanDerWaalsContact CE-OE1 3.23Å; K353-E359 WeakPolarHBondContact CE-OE1 3.49Å; K353-E359 IonicContact NZ-OE1 3.37Å; K353-E359 PolarHBondContact NZ-OE1 3.1Å; K353-E359 IonicContact NZ-OE2 3.93Å; K353-E359 PolarHBondContact NZ-OE2 3.25Å; F355-E359 HydrophobicContact CB-CB 4.36Å; F355-E359 HydrophobicContact CD1-CB 4.15Å; S356-E359 WeakPolarHBondContact CB-OE2 3.34Å; S356-E359 PolarHBondContact N-OE2 3.31Å; S356-E359 PolarHBondContact O-N 3.42Å; S356-E359 VanDerWaalsContact O-N 3.11Å; S356-E359 VanDerWaalsContact OG-CG 3.24Å; S356-E359 WeakPolarHBondContact OG-CG 3.28Å; S356-E359 PolarHBondContact OG-N 3.32Å; S356-E359 PolarHBondContact OG-OE2 3.07Å; E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A362 WeakPolarHBondContact O-CB 3.17Å; E359-A362 PolarHBondContact O-N 3.45Å; E359-L363 PolarHBondContact O-N 2.92Å; E359-L478 HydrophobicContact CB-CD1 4.35Å; E359-L478 HydrophobicContact CB-CD2 3.8Å; E359-L478 HydrophobicContact CG-CD2 3.87Å
360	L	98.6	Very high	96.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-34.3	176.8	-174.6	56.7	0	0	0	111.7	V343 F355 S356 L363 L364 F442 V460	V343-L360 HydrophobicContact CB-CD1 4.26Å; V343-L360 HydrophobicContact CB-CD2 3.99Å; V343-L360 HydrophobicContact CG2-CD1 3.96Å; V343-L360 HydrophobicContact CG2-CD2 3.46Å; V343-L360 VanDerWaalsContact CG2-CD2 3.46Å; V343-L360 HydrophobicContact CG2-CG 4.39Å; F355-L360 HydrophobicContact CB-CB 4.2Å; S356-L360 PolarHBondContact O-N 3.01Å; L360-L363 PolarHBondContact O-N 3.16Å; L360-L364 HydrophobicContact CD1-CD1 4.41Å; L360-L364 HydrophobicContact CD1-CG 4.38Å; L360-L364 HydrophobicContact CG-CD1 4.08Å; L360-L364 HydrophobicContact CG-CG 4.49Å; L360-L364 WeakPolarHBondContact O-CB 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.2Å; L360-L364 PolarHBondContact O-N 3.21Å; L360-F442 HydrophobicContact CB-CE1 4.31Å; L360-F442 HydrophobicContact CB-CZ 3.9Å; L360-F442 HydrophobicContact CD2-CD2 4.48Å; L360-F442 HydrophobicContact CD2-CE2 3.61Å; L360-F442 HydrophobicContact CD2-CZ 3.64Å; L360-F442 HydrophobicContact CG-CE1 4.3Å; L360-F442 HydrophobicContact CG-CE2 4.2Å; L360-F442 HydrophobicContact CG-CZ 3.82Å; L360-V460 HydrophobicContact CD1-CG2 3.97Å
361	A	98.5	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-34	171.6	0	0	0	0	0	113.5	G357 N358 E359 G365 F434 F436 F442	G357-A361 WeakPolarHBondContact O-CB 3.45Å; G357-A361 PolarHBondContact O-N 2.85Å; N358-A361 PolarHBondContact O-N 3.06Å; E359-A361 VanDerWaalsContact C-N 3.34Å; A361-G365 WeakPolarHBondContact O-CA 3.41Å; A361-G365 PolarHBondContact O-N 2.72Å; A361-F434 HydrophobicContact CB-CE1 4.12Å; A361-F434 HydrophobicContact CB-CZ 4.16Å; A361-F434 WeakPolarHBondContact O-CE1 3.44Å; A361-F436 HydrophobicContact CB-CB 4.13Å; A361-F436 HydrophobicContact CB-CD1 3.73Å; A361-F436 HydrophobicContact CB-CD2 3.23Å; A361-F436 HydrophobicContact CB-CE1 3.82Å; A361-F436 HydrophobicContact CB-CE2 3.31Å; A361-F436 HydrophobicContact CB-CG 3.42Å; A361-F436 VanDerWaalsContact CB-CG 3.42Å; A361-F436 HydrophobicContact CB-CZ 3.6Å; A361-F442 HydrophobicContact CB-CE1 4.02Å
362	A	98.8	Very high	97.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-46.4	172.7	0	0	0	0	0	110.9	N358 E359 W366 I396 F400 L478 I481	N358-A362 PolarHBondContact O-N 2.8Å; E359-A362 WeakPolarHBondContact O-CB 3.17Å; E359-A362 PolarHBondContact O-N 3.45Å; A362-W366 VanDerWaalsContact O-CB 3.29Å; A362-W366 WeakPolarHBondContact O-CB 3.29Å; A362-W366 PolarHBondContact O-N 3.04Å; A362-I396 HydrophobicContact CB-CG1 3.74Å; A362-I396 HydrophobicContact CB-CG2 4.18Å; A362-F400 HydrophobicContact CB-CZ 4.46Å; A362-F400 WeakPolarHBondContact O-CE2 3.3Å; A362-F400 WeakPolarHBondContact O-CZ 3.39Å; A362-L478 HydrophobicContact CB-CD1 3.81Å; A362-I481 HydrophobicContact CB-CG2 4.39Å
363	L	98.9	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.9	-50.8	176.6	-75.8	165.9	0	0	0	112.4	F355 E359 L360 W366 W367 M463 L474 Q477 L478 I481	F355-L363 HydrophobicContact CD1-CD1 4.12Å; F355-L363 HydrophobicContact CE1-CD1 3.92Å; F355-L363 HydrophobicContact CZ-CD1 4.4Å; E359-L363 PolarHBondContact O-N 2.92Å; L360-L363 PolarHBondContact O-N 3.16Å; L363-W366 PolarHBondContact O-N 3.24Å; L363-W367 WeakPolarHBondContact O-CB 3.42Å; L363-W367 PolarHBondContact O-N 3.47Å; L363-M463 HydrophobicContact CB-CE 3.95Å; L363-M463 HydrophobicContact CB-SD 3.93Å; L363-M463 HydrophobicContact CD2-SD 4.29Å; L363-L474 HydrophobicContact CD1-CB 4.18Å; L363-L474 HydrophobicContact CD1-CD2 4.46Å; L363-L474 WeakPolarHBondContact CD2-O 3.47Å; L363-Q477 HydrophobicContact CD2-CB 4.11Å; L363-Q477 HydrophobicContact CD2-CG 4.07Å; L363-L478 HydrophobicContact CD1-CB 4.39Å; L363-L478 HydrophobicContact CD2-CB 4.2Å; L363-L478 HydrophobicContact CG-CB 4.27Å; L363-L478 HydrophobicContact CG-CD1 4.37Å; L363-I481 HydrophobicContact CD2-CD1 3.95Å
364	L	98.9	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-43.3	-179.9	-75.4	173.1	0	0	0	112.3	L360 W366 W367 M368 F434 F442 V459 V460 M463	L360-L364 HydrophobicContact CD1-CD1 4.41Å; L360-L364 HydrophobicContact CD1-CG 4.38Å; L360-L364 HydrophobicContact CG-CD1 4.08Å; L360-L364 HydrophobicContact CG-CG 4.49Å; L360-L364 WeakPolarHBondContact O-CB 3.31Å; L360-L364 WeakPolarHBondContact O-CG 3.2Å; L360-L364 PolarHBondContact O-N 3.21Å; L364-W366 PolarHBondContact O-N 3.34Å; L364-W367 PolarHBondContact O-N 2.67Å; L364-M368 VanDerWaalsContact O-CG 3.3Å; L364-M368 WeakPolarHBondContact O-CG 3.35Å; L364-M368 PolarHBondContact O-N 3.25Å; L364-F434 HydrophobicContact CB-CD2 4.31Å; L364-F434 HydrophobicContact CB-CE1 4.4Å; L364-F434 HydrophobicContact CB-CE2 3.51Å; L364-F434 HydrophobicContact CB-CZ 3.56Å; L364-F434 HydrophobicContact CD1-CE2 4.17Å; L364-F434 HydrophobicContact CD1-CZ 4.39Å; L364-F434 HydrophobicContact CG-CE2 4.45Å; L364-F442 HydrophobicContact CD1-CB 4.05Å; L364-F442 HydrophobicContact CD1-CD1 3.77Å; L364-F442 HydrophobicContact CD1-CD2 4.2Å; L364-F442 HydrophobicContact CD1-CE1 4.29Å; L364-F442 HydrophobicContact CD1-CG 3.71Å; L364-V459 HydrophobicContact CD2-CB 4.41Å; L364-V459 HydrophobicContact CD2-CG1 3.7Å; L364-V460 HydrophobicContact CD2-CG2 3.87Å; L364-V460 HydrophobicContact CG-CG2 4.39Å; L364-M463 HydrophobicContact CD2-CE 4.21Å
365	G	98.7	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-45	175.2	0	0	0	0	0	111.8	A361 W367 F369 M387 F434	A361-G365 WeakPolarHBondContact O-CA 3.41Å; A361-G365 PolarHBondContact O-N 2.72Å; G365-W367 PolarHBondContact O-N 2.88Å; G365-F369 WeakPolarHBondContact O-CB 3.38Å; G365-F369 PolarHBondContact O-N 3.33Å; G365-F369 VanDerWaalsContact O-N 3.08Å; G365-M387 WeakPolarHBondContact O-CE 3.44Å; G365-F434 VanDerWaalsContact CA-CD1 3.48Å
366	W	98.8	Very high	96.9	Very high	34 Å²	34	23.9 Å²	23.9	13%	0.129	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-47.2	173.4	166.8	75.3	0	0	0	111.3	A362 L363 L364 F369 F370 F400 M463 L467 Q477 I481	A362-W366 VanDerWaalsContact O-CB 3.29Å; A362-W366 WeakPolarHBondContact O-CB 3.29Å; A362-W366 PolarHBondContact O-N 3.04Å; L363-W366 PolarHBondContact O-N 3.24Å; L364-W366 PolarHBondContact O-N 3.34Å; W366-F369 PolarHBondContact O-N 3.21Å; W366-F370 HydrophobicContact CZ2-CB 4.33Å; W366-F370 HydrophobicContact CZ2-CD2 4.23Å; W366-F370 HydrophobicContact CZ2-CG 4.11Å; W366-F370 WeakPolarHBondContact O-CB 3.19Å; W366-F370 PolarHBondContact O-N 2.87Å; W366-F400 HydrophobicContact CB-CE2 4.15Å; W366-F400 HydrophobicContact CB-CZ 4.3Å; W366-M463 HydrophobicContact CE3-SD 4.22Å; W366-M463 HydrophobicContact CZ3-CG 4.19Å; W366-M463 HydrophobicContact CZ3-SD 4.16Å; W366-L467 HydrophobicContact CH2-CD2 4.1Å; W366-L467 HydrophobicContact CZ3-CD2 4.4Å; W366-Q477 HydrophobicContact CD2-CG 4.46Å; W366-Q477 HydrophobicContact CE3-CG 3.99Å; W366-Q477 HydrophobicContact CH2-CG 4.1Å; W366-Q477 VanDerWaalsContact CZ2-NE2 3.25Å; W366-Q477 HydrophobicContact CZ3-CG 3.78Å; W366-I481 HydrophobicContact CB-CD1 3.53Å; W366-I481 HydrophobicContact CB-CG1 4.07Å; W366-I481 HydrophobicContact CD2-CD1 4.09Å; W366-I481 HydrophobicContact CD2-CG1 4.46Å; W366-I481 HydrophobicContact CE3-CD1 4.32Å; W366-I481 HydrophobicContact CG-CD1 3.72Å; W366-I481 HydrophobicContact CG-CG1 3.95Å
367	W	98.7	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-47.1	-179.3	-178.9	-106.5	0	0	0	112.8	F251 H252 L363 L364 G365 F369 F370 N371 V459 E462 M463 Y466	F251-W367 HydrophobicContact CD2-CZ2 4.29Å; F251-W367 AromaticContact CD2-NE1 3.94Å; H252-W367 AromaticContact CD2-CH2 3.47Å; H252-W367 VanDerWaalsContact CD2-CH2 3.47Å; H252-W367 WeakPolarHBondContact CD2-CH2 3.1Å; H252-W367 AromaticContact CD2-CZ2 3.7Å; H252-W367 AromaticContact NE2-CH2 3.7Å; L363-W367 WeakPolarHBondContact O-CB 3.42Å; L363-W367 PolarHBondContact O-N 3.47Å; L364-W367 PolarHBondContact O-N 2.67Å; G365-W367 PolarHBondContact O-N 2.88Å; W367-F369 VanDerWaalsContact C-N 3.33Å; W367-F369 PolarHBondContact O-N 2.85Å; W367-F370 HydrophobicContact CE3-CD1 4.4Å; W367-F370 HydrophobicContact CZ3-CD1 4.19Å; W367-F370 PolarHBondContact O-N 2.64Å; W367-N371 WeakPolarHBondContact CH2-ND2 3.26Å; W367-N371 WeakPolarHBondContact CZ2-ND2 3.32Å; W367-N371 PolarHBondContact O-N 2.9Å; W367-N371 PolarHBondContact O-ND2 3.01Å; W367-V459 VanDerWaalsContact CD1-CG1 3.43Å; W367-E462 HydrophobicContact CZ2-CB 4.45Å; W367-E462 HydrophobicContact CZ2-CG 3.77Å; W367-M463 HydrophobicContact CB-CG 4.4Å; W367-M463 HydrophobicContact CB-SD 3.83Å; W367-M463 HydrophobicContact CD2-CB 3.7Å; W367-M463 HydrophobicContact CD2-CG 4.04Å; W367-M463 HydrophobicContact CE3-CB 3.99Å; W367-M463 HydrophobicContact CE3-CG 3.95Å; W367-M463 HydrophobicContact CG-CB 3.97Å; W367-M463 HydrophobicContact CG-CG 4.26Å; W367-M463 HydrophobicContact CG-SD 4.26Å; W367-Y466 HydrophobicContact CH2-CD1 4.02Å; W367-Y466 AromaticContact CH2-CD2 3.99Å; W367-Y466 HydrophobicContact CH2-CD2 3.99Å; W367-Y466 AromaticContact CH2-CG 3.63Å; W367-Y466 HydrophobicContact CH2-CG 3.63Å; W367-Y466 AromaticContact CZ3-CD1 3.53Å; W367-Y466 HydrophobicContact CZ3-CD1 3.53Å; W367-Y466 HydrophobicContact CZ3-CD2 4.3Å; W367-Y466 HydrophobicContact CZ3-CE1 4.04Å; W367-Y466 AromaticContact CZ3-CG 3.66Å; W367-Y466 HydrophobicContact CZ3-CG 3.66Å
368	M	98.4	Very high	96.2	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.034	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-41.9	178.3	-67.3	-47.1	-55.3	0	0	111.2	L249 F251 L364 W372 F434 C444 V459	L249-M368 HydrophobicContact CD2-CE 4.16Å; F251-M368 HydrophobicContact CE2-CE 4.34Å; F251-M368 HydrophobicContact CZ-CE 4.19Å; L364-M368 VanDerWaalsContact O-CG 3.3Å; L364-M368 WeakPolarHBondContact O-CG 3.35Å; L364-M368 PolarHBondContact O-N 3.25Å; M368-W372 WeakPolarHBondContact O-CB 3.41Å; M368-W372 PolarHBondContact O-N 3.03Å; M368-W372 VanDerWaalsContact O-N 3.1Å; M368-F434 HydrophobicContact CB-CB 4.19Å; M368-F434 HydrophobicContact CG-CB 4.11Å; M368-F434 HydrophobicContact CG-CD2 4.05Å; M368-F434 HydrophobicContact CG-CG 4.33Å; M368-C444 HydrophobicContact SD-CB 3.94Å; M368-V459 HydrophobicContact SD-CG1 4.18Å
369	F	97.8	Very high	95.6	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-75.6	-35.7	179.1	-168.1	-114.5	0	0	0	113.6	G365 W366 W367 W372 K373 T382 M387 E404 F406 I433	G365-F369 WeakPolarHBondContact O-CB 3.38Å; G365-F369 PolarHBondContact O-N 3.33Å; G365-F369 VanDerWaalsContact O-N 3.08Å; W366-F369 PolarHBondContact O-N 3.21Å; W367-F369 VanDerWaalsContact C-N 3.33Å; W367-F369 PolarHBondContact O-N 2.85Å; F369-W372 HydrophobicContact CD2-CE3 4.08Å; F369-W372 AromaticContact CE2-CE3 3.68Å; F369-W372 HydrophobicContact CE2-CE3 3.68Å; F369-W372 HydrophobicContact CE2-CZ3 4.05Å; F369-W372 HydrophobicContact CZ-CE3 4.47Å; F369-W372 PolarHBondContact O-N 2.61Å; F369-K373 HydrophobicContact CD1-CD 4.14Å; F369-K373 HydrophobicContact CD1-CG 4.29Å; F369-K373 HydrophobicContact CE1-CD 3.39Å; F369-K373 HydrophobicContact CE1-CG 3.77Å; F369-K373 HydrophobicContact CE2-CG 4.16Å; F369-K373 HydrophobicContact CZ-CD 3.65Å; F369-K373 HydrophobicContact CZ-CG 3.71Å; F369-K373 PolarHBondContact O-N 3.44Å; F369-T382 HydrophobicContact CE2-CG2 4.08Å; F369-T382 HydrophobicContact CZ-CG2 4.02Å; F369-M387 HydrophobicContact CB-CE 3.69Å; F369-M387 HydrophobicContact CG-CE 4.4Å; F369-E404 HydrophobicContact CD1-CB 4.24Å; F369-E404 HydrophobicContact CD1-CG 4.09Å; F369-E404 HydrophobicContact CE1-CB 3.46Å; F369-E404 VanDerWaalsContact CE1-CB 3.46Å; F369-E404 HydrophobicContact CE1-CG 3.64Å; F369-E404 HydrophobicContact CZ-CB 3.87Å; F369-F406 HydrophobicContact CD1-CD1 4.42Å; F369-F406 HydrophobicContact CD1-CE1 4.31Å; F369-F406 AromaticContact CD2-CD1 3.93Å; F369-F406 HydrophobicContact CD2-CD1 3.93Å; F369-F406 HydrophobicContact CD2-CE1 4.27Å; F369-F406 HydrophobicContact CE1-CD1 4.2Å; F369-F406 HydrophobicContact CE1-CE1 4.45Å; F369-F406 HydrophobicContact CE2-CB 4.34Å; F369-F406 AromaticContact CE2-CD1 3.69Å; F369-F406 HydrophobicContact CE2-CD1 3.69Å; F369-F406 HydrophobicContact CE2-CE1 4.42Å; F369-F406 HydrophobicContact CE2-CG 4.35Å; F369-F406 HydrophobicContact CG-CD1 4.3Å; F369-F406 HydrophobicContact CG-CE1 4.23Å; F369-F406 AromaticContact CZ-CD1 3.84Å; F369-F406 HydrophobicContact CZ-CD1 3.84Å; F369-I433 HydrophobicContact CB-CD1 4.39Å; F369-I433 HydrophobicContact CD2-CD1 3.92Å
370	F	97.1	Very high	95.2	Very high	39 Å²	39	36.7 Å²	36.7	17%	0.171	21%	0.207	C	C	.	.	H	α-helix	trans	-56.5	-55.6	176.4	172.9	-96.6	0	0	0	110.9	W366 W367 W372 K373 E374 Y466	W366-F370 HydrophobicContact CZ2-CB 4.33Å; W366-F370 HydrophobicContact CZ2-CD2 4.23Å; W366-F370 HydrophobicContact CZ2-CG 4.11Å; W366-F370 WeakPolarHBondContact O-CB 3.19Å; W366-F370 PolarHBondContact O-N 2.87Å; W367-F370 HydrophobicContact CE3-CD1 4.4Å; W367-F370 HydrophobicContact CZ3-CD1 4.19Å; W367-F370 PolarHBondContact O-N 2.64Å; F370-W372 VanDerWaalsContact C-N 3.34Å; F370-W372 PolarHBondContact O-N 3.11Å; F370-K373 PolarHBondContact O-N 3.08Å; F370-E374 HydrophobicContact CE1-CG 4.41Å; F370-E374 WeakPolarHBondContact CE1-OE2 3.36Å; F370-E374 VanDerWaalsContact CZ-CD 3.45Å; F370-E374 HydrophobicContact CZ-CG 4.19Å; F370-E374 VanDerWaalsContact CZ-OE1 3.29Å; F370-E374 WeakPolarHBondContact CZ-OE1 3.41Å; F370-E374 PolarHBondContact O-N 3.37Å; F370-Y466 HydrophobicContact CE1-CE1 4.14Å; F370-Y466 HydrophobicContact CE1-CE2 4.45Å; F370-Y466 AromaticContact CE1-CZ 3.73Å; F370-Y466 VanDerWaalsContact CE1-OH 3.29Å; F370-Y466 WeakPolarHBondContact CE1-OH 3.31Å; F370-Y466 HydrophobicContact CZ-CE1 4.46Å; F370-Y466 AromaticContact CZ-CZ 3.98Å; F370-Y466 WeakPolarHBondContact CZ-OH 3.22Å
371	N	96.7	Very high	94.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-70.9	-29.4	179.1	-63.8	-80.8	0	0	0	112.6	F251 H252 W367 E374 S375	F251-N371 HydrophobicContact CB-CB 4.18Å; F251-N371 VanDerWaalsContact CB-OD1 3.32Å; F251-N371 WeakPolarHBondContact CB-OD1 3.43Å; F251-N371 HydrophobicContact CD1-CB 3.6Å; F251-N371 HydrophobicContact CD2-CB 3.57Å; F251-N371 VanDerWaalsContact CD2-CG 3.43Å; F251-N371 HydrophobicContact CE1-CB 3.76Å; F251-N371 HydrophobicContact CE2-CB 3.72Å; F251-N371 HydrophobicContact CG-CB 3.5Å; F251-N371 VanDerWaalsContact CG-CB 3.5Å; F251-N371 HydrophobicContact CZ-CB 3.82Å; H252-N371 PolarHBondContact NE2-OD1 2.71Å; W367-N371 WeakPolarHBondContact CH2-ND2 3.26Å; W367-N371 WeakPolarHBondContact CZ2-ND2 3.32Å; W367-N371 PolarHBondContact O-N 2.9Å; W367-N371 PolarHBondContact O-ND2 3.01Å; N371-E374 PolarHBondContact O-N 2.93Å; N371-S375 PolarHBondContact O-N 3.37Å; N371-S375 PolarHBondContact O-OG 3.45Å
372	W	95	Very high	94.6	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-45.4	172.9	-176.2	85.8	0	0	0	111.4	M368 F369 F370 E374 S375 H376 D381 T382 V385 I433	M368-W372 WeakPolarHBondContact O-CB 3.41Å; M368-W372 PolarHBondContact O-N 3.03Å; M368-W372 VanDerWaalsContact O-N 3.1Å; F369-W372 HydrophobicContact CD2-CE3 4.08Å; F369-W372 AromaticContact CE2-CE3 3.68Å; F369-W372 HydrophobicContact CE2-CE3 3.68Å; F369-W372 HydrophobicContact CE2-CZ3 4.05Å; F369-W372 HydrophobicContact CZ-CE3 4.47Å; F369-W372 PolarHBondContact O-N 2.61Å; F370-W372 VanDerWaalsContact C-N 3.34Å; F370-W372 PolarHBondContact O-N 3.11Å; W372-E374 PolarHBondContact O-N 2.94Å; W372-S375 PolarHBondContact O-N 3.48Å; W372-S375 PolarHBondContact O-OG 2.98Å; W372-H376 AromaticContact CD1-CE1 3.66Å; W372-H376 AromaticContact CD1-ND1 3.61Å; W372-H376 HydrophobicContact CD2-CB 4.3Å; W372-H376 AromaticContact CD2-ND1 3.94Å; W372-H376 AromaticContact CE2-CD2 3.94Å; W372-H376 AromaticContact CE2-CG 3.53Å; W372-H376 AromaticContact CE2-ND1 3.55Å; W372-H376 HydrophobicContact CE3-CB 4.42Å; W372-H376 AromaticContact CG-ND1 3.94Å; W372-H376 HydrophobicContact CH2-CB 3.67Å; W372-H376 HydrophobicContact CZ2-CB 3.55Å; W372-H376 AromaticContact CZ2-CD2 3.81Å; W372-H376 AromaticContact CZ2-CG 3.53Å; W372-H376 HydrophobicContact CZ3-CB 4.14Å; W372-H376 AromaticContact NE1-CD2 3.85Å; W372-H376 AromaticContact NE1-CE1 3.4Å; W372-H376 PolarHBondContact NE1-CE1 3.38Å; W372-H376 AromaticContact NE1-CG 3.7Å; W372-H376 AromaticContact NE1-ND1 3.37Å; W372-H376 PolarHBondContact NE1-ND1 3.37Å; W372-H376 AromaticContact NE1-NE2 3.64Å; W372-H376 PolarHBondContact O-N 3.02Å; W372-H376 PolarHBondContact O-ND1 3.26Å; W372-D381 HydrophobicContact CH2-CB 3.62Å; W372-D381 HydrophobicContact CZ2-CB 3.86Å; W372-T382 HydrophobicContact CZ3-CG2 4.48Å; W372-V385 HydrophobicContact CD2-CG2 4.05Å; W372-V385 VanDerWaalsContact CE2-CG2 3.49Å; W372-V385 HydrophobicContact CE3-CG2 4.3Å; W372-V385 HydrophobicContact CH2-CG2 3.61Å; W372-V385 HydrophobicContact CZ2-CG2 3.26Å; W372-V385 HydrophobicContact CZ3-CG2 4.09Å; W372-I433 HydrophobicContact CB-CD1 4.18Å; W372-I433 HydrophobicContact CG-CD1 4.22Å
373	K	94.9	Very high	94.3	Very high	78 Å²	78	45.2 Å²	45.2	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-37	175.1	-76.3	-164.7	-71.9	-170.8	0	113.2	F369 F370 S375 H376 E404	F369-K373 HydrophobicContact CD1-CD 4.14Å; F369-K373 HydrophobicContact CD1-CG 4.29Å; F369-K373 HydrophobicContact CE1-CD 3.39Å; F369-K373 HydrophobicContact CE1-CG 3.77Å; F369-K373 HydrophobicContact CE2-CG 4.16Å; F369-K373 HydrophobicContact CZ-CD 3.65Å; F369-K373 HydrophobicContact CZ-CG 3.71Å; F369-K373 PolarHBondContact O-N 3.44Å; F370-K373 PolarHBondContact O-N 3.08Å; K373-S375 PolarHBondContact O-N 3.18Å; K373-H376 CarbonylContact O-C 3.25Å; K373-H376 PolarHBondContact O-N 3.1Å; K373-E404 IonicContact NZ-OE1 3.2Å; K373-E404 PolarHBondContact NZ-OE1 3.21Å; K373-E404 IonicContact NZ-OE2 2.8Å; K373-E404 PolarHBondContact NZ-OE2 3.2Å
374	E	92.4	Very high	94	Very high	113 Å²	113	47.3 Å²	47.3	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-27.1	176.1	-69.4	-166.9	138.1	0	0	112.6	F370 N371 W372	F370-E374 HydrophobicContact CE1-CG 4.41Å; F370-E374 WeakPolarHBondContact CE1-OE2 3.36Å; F370-E374 VanDerWaalsContact CZ-CD 3.45Å; F370-E374 HydrophobicContact CZ-CG 4.19Å; F370-E374 VanDerWaalsContact CZ-OE1 3.29Å; F370-E374 WeakPolarHBondContact CZ-OE1 3.41Å; F370-E374 PolarHBondContact O-N 3.37Å; N371-E374 PolarHBondContact O-N 2.93Å; W372-E374 PolarHBondContact O-N 2.94Å
375	S	89.8	Confident	93.9	Very high	71 Å²	71	47.3 Å²	47.3	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-96	-13.9	176.6	51.2	0	0	0	0	115.1	N371 W372 K373	N371-S375 PolarHBondContact O-N 3.37Å; N371-S375 PolarHBondContact O-OG 3.45Å; W372-S375 PolarHBondContact O-N 3.48Å; W372-S375 PolarHBondContact O-OG 2.98Å; K373-S375 PolarHBondContact O-N 3.18Å
376	H	92.4	Very high	93.9	Very high	47 Å²	47	48.5 Å²	48.5	22%	0.218	27%	0.273	C	S	.	.			trans	-131.6	80.3	-179.7	-53	71.9	0	0	0	108.8	W372 K373 D378 D381 R431	W372-H376 AromaticContact CD1-CE1 3.66Å; W372-H376 AromaticContact CD1-ND1 3.61Å; W372-H376 HydrophobicContact CD2-CB 4.3Å; W372-H376 AromaticContact CD2-ND1 3.94Å; W372-H376 AromaticContact CE2-CD2 3.94Å; W372-H376 AromaticContact CE2-CG 3.53Å; W372-H376 AromaticContact CE2-ND1 3.55Å; W372-H376 HydrophobicContact CE3-CB 4.42Å; W372-H376 AromaticContact CG-ND1 3.94Å; W372-H376 HydrophobicContact CH2-CB 3.67Å; W372-H376 HydrophobicContact CZ2-CB 3.55Å; W372-H376 AromaticContact CZ2-CD2 3.81Å; W372-H376 AromaticContact CZ2-CG 3.53Å; W372-H376 HydrophobicContact CZ3-CB 4.14Å; W372-H376 AromaticContact NE1-CD2 3.85Å; W372-H376 AromaticContact NE1-CE1 3.4Å; W372-H376 PolarHBondContact NE1-CE1 3.38Å; W372-H376 AromaticContact NE1-CG 3.7Å; W372-H376 AromaticContact NE1-ND1 3.37Å; W372-H376 PolarHBondContact NE1-ND1 3.37Å; W372-H376 AromaticContact NE1-NE2 3.64Å; W372-H376 PolarHBondContact O-N 3.02Å; W372-H376 PolarHBondContact O-ND1 3.26Å; K373-H376 CarbonylContact O-C 3.25Å; K373-H376 PolarHBondContact O-N 3.1Å; H376-D378 VanDerWaalsContact C-N 3.29Å; H376-D378 PolarHBondContact O-N 3.33Å; H376-D381 HydrophobicContact CB-CB 4.35Å; H376-R431 PolarHBondContact CE1-NH1 3.26Å; H376-R431 PolarHBondContact NE2-NH1 3.15Å
377	P	87.9	Confident	93.9	Very high	117 Å²	117	46.9 Å²	46.9	76%	0.76	27%	0.266	S	S	*	.			trans	-77.6	-9.1	-171.7	31.2	-36.7	0	0	0	114.3	P379	P377-P379 WeakPolarHBondContact O-CD 3.47Å
378	D	91.5	Very high	93.9	Very high	88 Å²	88	46.9 Å²	46.9	47%	0.471	27%	0.266	S	S	.	.			trans	-81.2	117.3	172.8	-168.9	-26.2	0	0	0	109.7	H376 A380 D381	H376-D378 VanDerWaalsContact C-N 3.29Å; H376-D378 PolarHBondContact O-N 3.33Å; D378-A380 PolarHBondContact O-N 3.49Å; D378-A380 VanDerWaalsContact OD1-CB 3.23Å; D378-A380 WeakPolarHBondContact OD1-CB 3.34Å; D378-A380 PolarHBondContact OD1-N 3.14Å; D378-D381 PolarHBondContact O-N 2.66Å; D378-D381 VanDerWaalsContact O-N 3.15Å
379	P	86.8	Confident	93.9	Very high	104 Å²	104	46.6 Å²	46.6	68%	0.675	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-56.9	-24.7	177.4	-24.5	35.3	0	0	0	113.7	P377 D381 T382	P377-P379 WeakPolarHBondContact O-CD 3.47Å; P379-D381 VanDerWaalsContact C-N 3.28Å; P379-D381 PolarHBondContact O-N 3.4Å; P379-T382 WeakPolarHBondContact O-CB 3.23Å; P379-T382 PolarHBondContact O-N 2.58Å; P379-T382 PolarHBondContact O-OG1 2.73Å
380	A	89.6	Confident	93.9	Very high	55 Å²	55	46.2 Å²	46.2	46%	0.455	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.1	-29.6	179.9	0	0	0	0	0	113.3	D378 T382 N383	D378-A380 PolarHBondContact O-N 3.49Å; D378-A380 VanDerWaalsContact OD1-CB 3.23Å; D378-A380 WeakPolarHBondContact OD1-CB 3.34Å; D378-A380 PolarHBondContact OD1-N 3.14Å; A380-T382 PolarHBondContact O-N 3.41Å; A380-N383 PolarHBondContact O-N 2.84Å; A380-N383 PolarHBondContact O-ND2 2.56Å
381	D	91	Very high	93.8	Very high	67 Å²	67	44.4 Å²	44.4	36%	0.358	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.7	178.2	-74.5	-17.9	0	0	0	111.7	W372 H376 D378 P379 N383 S384	W372-D381 HydrophobicContact CH2-CB 3.62Å; W372-D381 HydrophobicContact CZ2-CB 3.86Å; H376-D381 HydrophobicContact CB-CB 4.35Å; D378-D381 PolarHBondContact O-N 2.66Å; D378-D381 VanDerWaalsContact O-N 3.15Å; P379-D381 VanDerWaalsContact C-N 3.28Å; P379-D381 PolarHBondContact O-N 3.4Å; D381-N383 PolarHBondContact O-N 2.92Å; D381-N383 VanDerWaalsContact O-N 3.15Å; D381-S384 PolarHBondContact O-N 2.81Å; D381-S384 PolarHBondContact O-OG 2.83Å
382	T	93.2	Very high	93.7	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.3	-27.6	-178	-42.6	0	0	0	0	112.7	F369 W372 P379 A380 S384 V385 F406	F369-T382 HydrophobicContact CE2-CG2 4.08Å; F369-T382 HydrophobicContact CZ-CG2 4.02Å; W372-T382 HydrophobicContact CZ3-CG2 4.48Å; P379-T382 WeakPolarHBondContact O-CB 3.23Å; P379-T382 PolarHBondContact O-N 2.58Å; P379-T382 PolarHBondContact O-OG1 2.73Å; A380-T382 PolarHBondContact O-N 3.41Å; T382-S384 PolarHBondContact O-N 3.32Å; T382-V385 WeakPolarHBondContact O-CB 3.47Å; T382-V385 PolarHBondContact O-N 3.49Å; T382-F406 HydrophobicContact CG2-CB 3.71Å
383	N	91.6	Very high	93.8	Very high	100 Å²	100	44.4 Å²	44.4	54%	0.535	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-65.1	-16.7	176.8	-60.1	-63.4	0	0	0	113.4	A380 D381 H407	A380-N383 PolarHBondContact O-N 2.84Å; A380-N383 PolarHBondContact O-ND2 2.56Å; D381-N383 PolarHBondContact O-N 2.92Å; D381-N383 VanDerWaalsContact O-N 3.15Å; N383-H407 PolarHBondContact O-CD2 3.44Å; N383-H407 PolarHBondContact O-NE2 3.01Å
384	S	93.1	Very high	94	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-93.6	-7	174.4	72.1	0	0	0	0	113.4	D381 T382 R431	D381-S384 PolarHBondContact O-N 2.81Å; D381-S384 PolarHBondContact O-OG 2.83Å; T382-S384 PolarHBondContact O-N 3.32Å; S384-R431 PolarHBondContact O-N 3.45Å
385	V	97.3	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.9	-171.1	179.9	0	0	0	0	110.8	W372 T382 F406 H407 R431 I433	W372-V385 HydrophobicContact CD2-CG2 4.05Å; W372-V385 VanDerWaalsContact CE2-CG2 3.49Å; W372-V385 HydrophobicContact CE3-CG2 4.3Å; W372-V385 HydrophobicContact CH2-CG2 3.61Å; W372-V385 HydrophobicContact CZ2-CG2 3.26Å; W372-V385 HydrophobicContact CZ3-CG2 4.09Å; T382-V385 WeakPolarHBondContact O-CB 3.47Å; T382-V385 PolarHBondContact O-N 3.49Å; V385-F406 HydrophobicContact CB-CB 4.04Å; V385-F406 HydrophobicContact CG1-CB 4.04Å; V385-H407 PolarHBondContact O-N 2.93Å; V385-R431 WeakPolarHBondContact CA-O 3.14Å; V385-I433 HydrophobicContact CG1-CD1 3.54Å; V385-I433 HydrophobicContact CG1-CG1 3.73Å; V385-I433 HydrophobicContact CG1-CG2 4.15Å
386	Y	98.4	Very high	94.6	Very high	26 Å²	26	32.8 Å²	32.8	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.3	178.4	-75.8	-112.4	0	0	0	110.9	H407 E409 L425 N430 R431 V432 I433	Y386-H407 CarbonylContact C-O 3.52Å; Y386-H407 VanDerWaalsContact CA-O 3.26Å; Y386-H407 WeakPolarHBondContact CA-O 3.39Å; Y386-H407 HydrophobicContact CD1-CB 3.55Å; Y386-H407 HydrophobicContact CD2-CB 3.96Å; Y386-H407 HydrophobicContact CE1-CB 3.42Å; Y386-H407 VanDerWaalsContact CE1-CB 3.42Å; Y386-H407 AromaticContact CE1-CG 3.93Å; Y386-H407 HydrophobicContact CE2-CB 3.8Å; Y386-H407 AromaticContact CE2-CD2 3.46Å; Y386-H407 VanDerWaalsContact CE2-CD2 3.46Å; Y386-H407 WeakPolarHBondContact CE2-CD2 3.47Å; Y386-H407 AromaticContact CE2-CG 3.84Å; Y386-H407 HydrophobicContact CG-CB 3.81Å; Y386-H407 AromaticContact CZ-CD2 3.54Å; Y386-H407 AromaticContact CZ-CG 3.55Å; Y386-E409 HydrophobicContact CD1-CG 4.24Å; Y386-E409 HydrophobicContact CE1-CG 4.24Å; Y386-L425 HydrophobicContact CD1-CD1 3.62Å; Y386-L425 HydrophobicContact CD1-CD2 3.8Å; Y386-L425 HydrophobicContact CD1-CG 4.38Å; Y386-L425 HydrophobicContact CE1-CD1 4.24Å; Y386-L425 HydrophobicContact CE1-CD2 3.54Å; Y386-L425 HydrophobicContact CE2-CD2 4.38Å; Y386-L425 HydrophobicContact CG-CD1 3.91Å; Y386-L425 HydrophobicContact CG-CD2 4.32Å; Y386-N430 HydrophobicContact CD2-CB 3.77Å; Y386-N430 HydrophobicContact CE2-CB 3.62Å; Y386-N430 WeakPolarHBondContact CE2-OD1 3.24Å; Y386-R431 PolarHBondContact N-O 2.98Å; Y386-V432 VanDerWaalsContact O-CA 3.3Å; Y386-V432 WeakPolarHBondContact O-CA 3.37Å; Y386-I433 PolarHBondContact O-N 2.82Å
387	M	98.7	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.8	157.5	-62.6	-169.1	-179.1	0	0	110.4	G365 F369 L397 F406 H407 F408 E409 I433 F434	G365-M387 WeakPolarHBondContact O-CE 3.44Å; F369-M387 HydrophobicContact CB-CE 3.69Å; F369-M387 HydrophobicContact CG-CE 4.4Å; M387-L397 HydrophobicContact CB-CD1 4.06Å; M387-L397 HydrophobicContact SD-CD1 4.1Å; M387-L397 HydrophobicContact SD-CD2 3.9Å; M387-L397 HydrophobicContact SD-CG 4.41Å; M387-F406 HydrophobicContact CB-CD2 4.45Å; M387-F406 HydrophobicContact CB-CE2 3.85Å; M387-F406 HydrophobicContact CE-CE1 4.4Å; M387-F406 HydrophobicContact CE-CE2 4.37Å; M387-F406 HydrophobicContact CE-CZ 4.03Å; M387-F406 HydrophobicContact CG-CD2 4.12Å; M387-F406 HydrophobicContact CG-CE2 3.6Å; M387-F406 HydrophobicContact CG-CZ 4.14Å; M387-F406 HydrophobicContact SD-CE2 3.75Å; M387-F406 HydrophobicContact SD-CZ 3.67Å; M387-H407 PolarHBondContact N-O 3.11Å; M387-F408 WeakPolarHBondContact O-CA 3.45Å; M387-E409 PolarHBondContact O-N 3.28Å; M387-I433 HydrophobicContact CE-CD1 3.74Å; M387-I433 HydrophobicContact CE-CG1 3.98Å; M387-I433 HydrophobicContact CG-CG1 4.19Å; M387-F434 VanDerWaalsContact CA-O 3.29Å; M387-F434 WeakPolarHBondContact CA-O 3.48Å; M387-F434 HydrophobicContact CE-CB 4.21Å; M387-F434 HydrophobicContact CG-CB 4.15Å; M387-F434 HydrophobicContact SD-CB 4.07Å; M387-F434 HydrophobicContact SD-CD1 4.18Å
388	L	98.6	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.9	-176.9	-53.8	179.7	0	0	0	111.2	E409 I418 R421 I422 L425 V432 F434 A435 F436	L388-E409 WeakPolarHBondContact CA-O 3.48Å; L388-E409 HydrophobicContact CD2-CB 3.73Å; L388-I418 HydrophobicContact CD1-CG2 4.19Å; L388-R421 HydrophobicContact CD1-CB 4.14Å; L388-R421 HydrophobicContact CD1-CG 4.13Å; L388-R421 HydrophobicContact CD2-CG 4.37Å; L388-I422 HydrophobicContact CD1-CG1 3.77Å; L388-L425 HydrophobicContact CD1-CD1 4.49Å; L388-L425 HydrophobicContact CD2-CD1 4.14Å; L388-V432 HydrophobicContact CD1-CG1 4.24Å; L388-V432 HydrophobicContact CD1-CG2 3.88Å; L388-V432 HydrophobicContact CG-CG1 4.1Å; L388-V432 HydrophobicContact CG-CG2 4.05Å; L388-F434 PolarHBondContact N-O 3.49Å; L388-F434 VanDerWaalsContact N-O 3.14Å; L388-A435 HydrophobicContact CB-CB 3.87Å; L388-A435 WeakPolarHBondContact O-CA 3.37Å; L388-F436 PolarHBondContact O-N 3.09Å; L388-F436 VanDerWaalsContact O-N 3.14Å
389	A	98.3	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.5	165.2	0	0	0	0	0	109.9	F408 E409 E410 T411 F436	A389-F408 HydrophobicContact CB-CE2 3.73Å; A389-F408 HydrophobicContact CB-CZ 3.98Å; A389-E409 PolarHBondContact N-O 2.62Å; A389-E410 CarbonylContact O-C 3.31Å; A389-E410 WeakPolarHBondContact O-CA 3.41Å; A389-T411 PolarHBondContact O-N 3.1Å; A389-T411 PolarHBondContact O-OG1 3.37Å; A389-T411 VanDerWaalsContact O-OG1 3.05Å; A389-F436 WeakPolarHBondContact CA-O 3.41Å; A389-F436 HydrophobicContact CB-CD1 3.79Å; A389-F436 HydrophobicContact CB-CE1 3.46Å; A389-F436 VanDerWaalsContact CB-CE1 3.46Å; A389-F436 HydrophobicContact CB-CZ 4.18Å
390	T	96.9	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	161.1	167.6	73.8	0	0	0	0	111.1	V392 S393 T411 I418 E437	T390-V392 PolarHBondContact O-N 3.4Å; T390-V392 VanDerWaalsContact O-N 3.09Å; T390-V392 VanDerWaalsContact OG1-CG2 3.27Å; T390-V392 WeakPolarHBondContact OG1-CG2 3.28Å; T390-S393 PolarHBondContact N-OG 2.96Å; T390-S393 VanDerWaalsContact O-CB 3.26Å; T390-S393 WeakPolarHBondContact O-CB 3.35Å; T390-S393 PolarHBondContact O-N 2.89Å; T390-S393 PolarHBondContact OG1-OG 2.99Å; T390-T411 CarbonylContact C-O 3.41Å; T390-T411 VanDerWaalsContact CA-O 3.23Å; T390-T411 WeakPolarHBondContact CA-O 3.43Å; T390-I418 HydrophobicContact CG2-CD1 3.96Å; T390-I418 HydrophobicContact CG2-CG1 4.47Å; T390-E437 HydrophobicContact CG2-CG 3.41Å; T390-E437 VanDerWaalsContact CG2-CG 3.41Å
391	T	95.4	Very high	96.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.5	177.3	50	0	0	0	0	114.6	K395 E410 T411 L549 M556	T391-K395 PolarHBondContact O-NZ 3.47Å; T391-E410 WeakPolarHBondContact CA-OE1 3.41Å; T391-E410 HydrophobicContact CG2-CB 4.09Å; T391-T411 PolarHBondContact N-O 3.46Å; T391-L549 HydrophobicContact CG2-CD1 3.29Å; T391-M556 HydrophobicContact CG2-CE 3.83Å; T391-M556 WeakPolarHBondContact OG1-CE 3.33Å
392	V	95.1	Very high	96.9	Very high	8 Å²	8	22.9 Å²	22.9	5%	0.048	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-8.1	178.5	-62.5	0	0	0	0	113.1	T390 P413 E438 T568 Y581	T390-V392 PolarHBondContact O-N 3.4Å; T390-V392 VanDerWaalsContact O-N 3.09Å; T390-V392 VanDerWaalsContact OG1-CG2 3.27Å; T390-V392 WeakPolarHBondContact OG1-CG2 3.28Å; V392-P413 HydrophobicContact CG1-CG 3.98Å; V392-P413 HydrophobicContact CG2-CB 4.16Å; V392-P413 HydrophobicContact CG2-CG 3.89Å; V392-E438 WeakPolarHBondContact CG2-OE1 3.3Å; V392-T568 HydrophobicContact CG1-CG2 4.11Å; V392-Y581 HydrophobicContact CB-CD1 3.79Å; V392-Y581 HydrophobicContact CB-CD2 3.96Å; V392-Y581 HydrophobicContact CB-CE1 3.71Å; V392-Y581 HydrophobicContact CB-CE2 3.88Å; V392-Y581 HydrophobicContact CB-CG 3.88Å; V392-Y581 HydrophobicContact CG1-CD1 4.43Å; V392-Y581 HydrophobicContact CG1-CD2 3.66Å; V392-Y581 HydrophobicContact CG1-CE1 4.35Å; V392-Y581 HydrophobicContact CG1-CE2 3.57Å; V392-Y581 HydrophobicContact CG1-CG 4.08Å; V392-Y581 HydrophobicContact CG2-CE1 4.06Å; V392-Y581 HydrophobicContact CG2-CE2 4.5Å
393	S	97.6	Very high	96.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	-77	156.7	170.4	-55.9	0	0	0	0	112.2	T390 K395 F436 E438	T390-S393 PolarHBondContact N-OG 2.96Å; T390-S393 VanDerWaalsContact O-CB 3.26Å; T390-S393 WeakPolarHBondContact O-CB 3.35Å; T390-S393 PolarHBondContact O-N 2.89Å; T390-S393 PolarHBondContact OG1-OG 2.99Å; S393-K395 PolarHBondContact O-NZ 3.37Å; S393-F436 PolarHBondContact OG-O 3.24Å; S393-E438 PolarHBondContact OG-N 2.89Å
394	S	97.7	Very high	97.1	Very high	2 Å²	2	24 Å²	24	1%	0.014	12%	0.115	C	C	.	.			trans	-53.6	141.9	175.8	168.6	0	0	0	0	113.5	N358 I396 E583	N358-S394 VanDerWaalsContact OD1-CB 3.29Å; N358-S394 WeakPolarHBondContact OD1-CB 3.44Å; N358-S394 PolarHBondContact OD1-N 3.15Å; S394-I396 PolarHBondContact O-N 2.84Å; S394-I396 WeakPolarHBondContact OG-CB 3.38Å; S394-I396 WeakPolarHBondContact OG-CG2 3.24Å; S394-I396 PolarHBondContact OG-N 3.19Å; S394-I396 VanDerWaalsContact OG-N 3.12Å; S394-E583 VanDerWaalsContact CA-OE1 3.26Å; S394-E583 WeakPolarHBondContact CA-OE1 3.46Å; S394-E583 VanDerWaalsContact CA-OE2 3.3Å; S394-E583 WeakPolarHBondContact CA-OE2 3.41Å; S394-E583 WeakPolarHBondContact CB-OE1 3.45Å; S394-E583 PolarHBondContact OG-OE1 3.49Å
395	K	97.8	Very high	97.3	Very high	15 Å²	15	24 Å²	24	7%	0.065	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	9.3	173.9	-47.3	-49.3	161.9	-152.1	0	114	T391 S393 L397 Q398 A399 E410 H488 E583	T391-K395 PolarHBondContact O-NZ 3.47Å; S393-K395 PolarHBondContact O-NZ 3.37Å; K395-L397 VanDerWaalsContact C-N 3.28Å; K395-L397 PolarHBondContact O-N 3.46Å; K395-Q398 HydrophobicContact CB-CB 4.3Å; K395-Q398 WeakPolarHBondContact O-CA 3.31Å; K395-Q398 WeakPolarHBondContact O-CB 3.26Å; K395-Q398 PolarHBondContact O-N 2.75Å; K395-A399 PolarHBondContact O-N 3.19Å; K395-E410 WeakPolarHBondContact CE-OE1 3.33Å; K395-E410 IonicContact NZ-OE1 3.66Å; K395-E410 PolarHBondContact NZ-OE1 3.42Å; K395-H488 VanDerWaalsContact C-CE1 3.41Å; K395-E583 WeakPolarHBondContact CG-OE2 3.47Å; K395-E583 PolarHBondContact N-OE1 3.17Å; K395-E583 VanDerWaalsContact N-OE1 3.11Å; K395-E583 PolarHBondContact N-OE2 2.98Å
396	I	98	Very high	97.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-54.6	-40.3	-179.9	-172.6	64.1	0	0	0	113.1	A362 S394 Q398 A399 F400 I481 Y482 H488	A362-I396 HydrophobicContact CB-CG1 3.74Å; A362-I396 HydrophobicContact CB-CG2 4.18Å; S394-I396 PolarHBondContact O-N 2.84Å; S394-I396 WeakPolarHBondContact OG-CB 3.38Å; S394-I396 WeakPolarHBondContact OG-CG2 3.24Å; S394-I396 PolarHBondContact OG-N 3.19Å; S394-I396 VanDerWaalsContact OG-N 3.12Å; I396-Q398 VanDerWaalsContact C-N 3.27Å; I396-Q398 PolarHBondContact O-N 2.92Å; I396-A399 WeakPolarHBondContact O-CB 3.48Å; I396-A399 PolarHBondContact O-N 2.84Å; I396-A399 VanDerWaalsContact O-N 3.13Å; I396-F400 HydrophobicContact CD1-CD1 4.24Å; I396-F400 HydrophobicContact CD1-CE1 3.56Å; I396-F400 HydrophobicContact CD1-CZ 4.18Å; I396-F400 HydrophobicContact CG1-CD1 4.24Å; I396-F400 HydrophobicContact CG1-CE1 3.53Å; I396-F400 HydrophobicContact CG1-CZ 3.69Å; I396-F400 VanDerWaalsContact O-CD1 3.25Å; I396-F400 WeakPolarHBondContact O-CD1 3.28Å; I396-F400 WeakPolarHBondContact O-CG 3.09Å; I396-F400 PolarHBondContact O-N 2.84Å; I396-I481 HydrophobicContact CD1-CG2 4.38Å; I396-Y482 HydrophobicContact CD1-CD1 4.14Å; I396-Y482 HydrophobicContact CD1-CE1 4.08Å; I396-H488 HydrophobicContact CB-CB 4.46Å; I396-H488 HydrophobicContact CD1-CB 4.46Å; I396-H488 WeakPolarHBondContact CD1-CD2 3.28Å; I396-H488 PolarHBondContact N-CE1 3.06Å; I396-H488 PolarHBondContact N-ND1 2.99Å
397	L	98.4	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-70.4	-24.2	176.8	-56.2	-172.7	0	0	0	112.9	M387 K395 F400 A401 F408 F434 F436	M387-L397 HydrophobicContact CB-CD1 4.06Å; M387-L397 HydrophobicContact SD-CD1 4.1Å; M387-L397 HydrophobicContact SD-CD2 3.9Å; M387-L397 HydrophobicContact SD-CG 4.41Å; K395-L397 VanDerWaalsContact C-N 3.28Å; K395-L397 PolarHBondContact O-N 3.46Å; L397-F400 HydrophobicContact CD2-CD2 3.72Å; L397-F400 HydrophobicContact CD2-CE2 3.78Å; L397-A401 WeakPolarHBondContact O-CB 3.45Å; L397-A401 PolarHBondContact O-N 3.03Å; L397-F408 HydrophobicContact CB-CD2 3.64Å; L397-F408 HydrophobicContact CB-CE2 3.75Å; L397-F434 HydrophobicContact CD1-CD1 3.68Å; L397-F434 HydrophobicContact CD1-CE1 3.87Å; L397-F434 HydrophobicContact CD2-CD1 4.24Å; L397-F434 HydrophobicContact CD2-CE1 4.31Å; L397-F436 HydrophobicContact CD1-CD1 3.58Å; L397-F436 HydrophobicContact CD1-CE1 3.48Å; L397-F436 VanDerWaalsContact CD1-CE1 3.48Å; L397-F436 HydrophobicContact CG-CD1 4.36Å; L397-F436 HydrophobicContact CG-CE1 3.81Å
398	Q	97.9	Very high	97.2	Very high	59 Å²	59	28.1 Å²	28.1	28%	0.276	14%	0.141	S	C	.	.	H	α-helix	trans	-71.8	-37.8	170.1	-164.1	-179.1	50	0	0	111.2	K395 I396 A401 R402 F408	K395-Q398 HydrophobicContact CB-CB 4.3Å; K395-Q398 WeakPolarHBondContact O-CA 3.31Å; K395-Q398 WeakPolarHBondContact O-CB 3.26Å; K395-Q398 PolarHBondContact O-N 2.75Å; I396-Q398 VanDerWaalsContact C-N 3.27Å; I396-Q398 PolarHBondContact O-N 2.92Å; Q398-A401 PolarHBondContact O-N 3.24Å; Q398-R402 VanDerWaalsContact O-CG 3.29Å; Q398-R402 WeakPolarHBondContact O-CG 3.48Å; Q398-R402 PolarHBondContact O-N 3.39Å; Q398-R402 VanDerWaalsContact O-N 3.09Å; Q398-F408 HydrophobicContact CB-CD1 3.51Å; Q398-F408 HydrophobicContact CB-CE1 3.71Å; Q398-F408 HydrophobicContact CB-CG 4.03Å; Q398-F408 HydrophobicContact CB-CZ 4.4Å; Q398-F408 HydrophobicContact CG-CD1 3.65Å; Q398-F408 HydrophobicContact CG-CE1 4.1Å; Q398-F408 HydrophobicContact CG-CG 4.39Å
399	A	97.8	Very high	97.2	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-40.9	173.9	0	0	0	0	0	111.4	K395 I396 I403	K395-A399 PolarHBondContact O-N 3.19Å; I396-A399 WeakPolarHBondContact O-CB 3.48Å; I396-A399 PolarHBondContact O-N 2.84Å; I396-A399 VanDerWaalsContact O-N 3.13Å; A399-I403 PolarHBondContact O-N 2.83Å
400	F	97.8	Very high	97.1	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-54.9	171.4	-65.9	2.8	0	0	0	111	A362 W366 I396 L397 R402 I403 E404 F406 I481 Y485	A362-F400 HydrophobicContact CB-CZ 4.46Å; A362-F400 WeakPolarHBondContact O-CE2 3.3Å; A362-F400 WeakPolarHBondContact O-CZ 3.39Å; W366-F400 HydrophobicContact CB-CE2 4.15Å; W366-F400 HydrophobicContact CB-CZ 4.3Å; I396-F400 HydrophobicContact CD1-CD1 4.24Å; I396-F400 HydrophobicContact CD1-CE1 3.56Å; I396-F400 HydrophobicContact CD1-CZ 4.18Å; I396-F400 HydrophobicContact CG1-CD1 4.24Å; I396-F400 HydrophobicContact CG1-CE1 3.53Å; I396-F400 HydrophobicContact CG1-CZ 3.69Å; I396-F400 VanDerWaalsContact O-CD1 3.25Å; I396-F400 WeakPolarHBondContact O-CD1 3.28Å; I396-F400 WeakPolarHBondContact O-CG 3.09Å; I396-F400 PolarHBondContact O-N 2.84Å; L397-F400 HydrophobicContact CD2-CD2 3.72Å; L397-F400 HydrophobicContact CD2-CE2 3.78Å; F400-R402 VanDerWaalsContact C-N 3.28Å; F400-R402 PolarHBondContact O-N 3.2Å; F400-I403 PolarHBondContact O-N 3.38Å; F400-E404 WeakPolarHBondContact O-CB 3.37Å; F400-E404 PolarHBondContact O-N 2.81Å; F400-F406 HydrophobicContact CB-CE1 3.79Å; F400-F406 HydrophobicContact CB-CZ 3.54Å; F400-I481 HydrophobicContact CE1-CG2 3.53Å; F400-I481 HydrophobicContact CZ-CG2 3.51Å; F400-Y485 AromaticContact CD1-CD1 3.59Å; F400-Y485 HydrophobicContact CD1-CD1 3.59Å; F400-Y485 AromaticContact CD1-CD2 3.49Å; F400-Y485 HydrophobicContact CD1-CD2 3.49Å; F400-Y485 VanDerWaalsContact CD1-CD2 3.49Å; F400-Y485 AromaticContact CD1-CE1 3.99Å; F400-Y485 HydrophobicContact CD1-CE1 3.99Å; F400-Y485 AromaticContact CD1-CE2 3.9Å; F400-Y485 HydrophobicContact CD1-CE2 3.9Å; F400-Y485 AromaticContact CD1-CG 3.33Å; F400-Y485 HydrophobicContact CD1-CG 3.33Å; F400-Y485 HydrophobicContact CE1-CD1 4.27Å; F400-Y485 AromaticContact CE1-CD2 3.28Å; F400-Y485 HydrophobicContact CE1-CD2 3.28Å; F400-Y485 AromaticContact CE1-CE2 3.78Å; F400-Y485 HydrophobicContact CE1-CE2 3.78Å; F400-Y485 AromaticContact CE1-CG 3.58Å; F400-Y485 HydrophobicContact CE1-CG 3.58Å; F400-Y485 HydrophobicContact CG-CD1 4.38Å; F400-Y485 HydrophobicContact CG-CE1 4.46Å; F400-Y485 HydrophobicContact CG-CG 4.47Å; F400-Y485 HydrophobicContact CZ-CD2 4.29Å; F400-Y485 HydrophobicContact CZ-CE2 4.47Å
401	A	97.9	Very high	97.1	Very high	12 Å²	12	32.9 Å²	32.9	10%	0.099	16%	0.164	C	C	.	.	H	α-helix	trans	-53.2	-41	-179.2	0	0	0	0	0	113.4	L397 Q398 I403 G405 F406 F408	L397-A401 WeakPolarHBondContact O-CB 3.45Å; L397-A401 PolarHBondContact O-N 3.03Å; Q398-A401 PolarHBondContact O-N 3.24Å; A401-I403 VanDerWaalsContact C-N 3.29Å; A401-I403 PolarHBondContact O-N 2.59Å; A401-G405 WeakPolarHBondContact O-CA 3.25Å; A401-G405 PolarHBondContact O-N 3.23Å; A401-F406 HydrophobicContact CB-CD2 3.96Å; A401-F406 HydrophobicContact CB-CE2 3.71Å; A401-F406 HydrophobicContact CB-CG 4.5Å; A401-F406 HydrophobicContact CB-CZ 4.09Å; A401-F406 VanDerWaalsContact CB-O 3.26Å; A401-F406 WeakPolarHBondContact CB-O 3.48Å; A401-F408 HydrophobicContact CB-CB 3.62Å
402	R	96.5	Very high	97	Very high	185 Å²	185	33.3 Å²	33.3	70%	0.698	17%	0.166	S	C	*	.	H	α-helix	trans	-63.7	-30	178.1	-73.7	170.6	-173.1	167.7	5.9	114	Q398 F400	Q398-R402 VanDerWaalsContact O-CG 3.29Å; Q398-R402 WeakPolarHBondContact O-CG 3.48Å; Q398-R402 PolarHBondContact O-N 3.39Å; Q398-R402 VanDerWaalsContact O-N 3.09Å; F400-R402 VanDerWaalsContact C-N 3.28Å; F400-R402 PolarHBondContact O-N 3.2Å
403	I	95.1	Very high	96.9	Very high	91 Å²	91	33.3 Å²	33.3	47%	0.467	17%	0.166	S	C	.	.	H	α-helix	trans	-95.3	-37.4	-177.7	-74	164.5	0	0	0	111	A399 F400 A401 Y485 P588	A399-I403 PolarHBondContact O-N 2.83Å; F400-I403 PolarHBondContact O-N 3.38Å; A401-I403 VanDerWaalsContact C-N 3.29Å; A401-I403 PolarHBondContact O-N 2.59Å; I403-Y485 HydrophobicContact CB-CD1 4.14Å; I403-Y485 HydrophobicContact CB-CE1 4.18Å; I403-Y485 HydrophobicContact CD1-CD1 3.71Å; I403-Y485 HydrophobicContact CD1-CE1 4.49Å; I403-Y485 HydrophobicContact CG1-CD1 4.5Å; I403-Y485 HydrophobicContact CG2-CD1 4.26Å; I403-Y485 HydrophobicContact CG2-CE1 3.96Å; I403-P588 HydrophobicContact CD1-CG 4.47Å
404	E	95.6	Very high	96.5	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-98	-12.3	-170.8	-65.9	-73.8	-155.6	0	0	114.1	F369 K373 F400 F406 Y485	F369-E404 HydrophobicContact CD1-CB 4.24Å; F369-E404 HydrophobicContact CD1-CG 4.09Å; F369-E404 HydrophobicContact CE1-CB 3.46Å; F369-E404 VanDerWaalsContact CE1-CB 3.46Å; F369-E404 HydrophobicContact CE1-CG 3.64Å; F369-E404 HydrophobicContact CZ-CB 3.87Å; K373-E404 IonicContact NZ-OE1 3.2Å; K373-E404 PolarHBondContact NZ-OE1 3.21Å; K373-E404 IonicContact NZ-OE2 2.8Å; K373-E404 PolarHBondContact NZ-OE2 3.2Å; F400-E404 WeakPolarHBondContact O-CB 3.37Å; F400-E404 PolarHBondContact O-N 2.81Å; E404-F406 HydrophobicContact CB-CD1 3.79Å; E404-F406 HydrophobicContact CB-CE1 3.9Å; E404-F406 PolarHBondContact O-N 3.45Å; E404-Y485 HydrophobicContact CG-CE1 3.95Å; E404-Y485 PolarHBondContact OE1-OH 3.09Å
405	G	95.8	Very high	96.3	Very high	42 Å²	42	33.5 Å²	33.5	43%	0.433	17%	0.167	S	C	.	.			trans	85.9	-1.2	171.2	0	0	0	0	0	116.6	A401	A401-G405 WeakPolarHBondContact O-CA 3.25Å; A401-G405 PolarHBondContact O-N 3.23Å
406	F	97.4	Very high	96.1	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.031	17%	0.168	C	C	.	.			trans	-78.8	166.2	173.2	68.7	-99.4	0	0	0	112	F369 T382 V385 M387 F400 A401 E404	F369-F406 HydrophobicContact CD1-CD1 4.42Å; F369-F406 HydrophobicContact CD1-CE1 4.31Å; F369-F406 AromaticContact CD2-CD1 3.93Å; F369-F406 HydrophobicContact CD2-CD1 3.93Å; F369-F406 HydrophobicContact CD2-CE1 4.27Å; F369-F406 HydrophobicContact CE1-CD1 4.2Å; F369-F406 HydrophobicContact CE1-CE1 4.45Å; F369-F406 HydrophobicContact CE2-CB 4.34Å; F369-F406 AromaticContact CE2-CD1 3.69Å; F369-F406 HydrophobicContact CE2-CD1 3.69Å; F369-F406 HydrophobicContact CE2-CE1 4.42Å; F369-F406 HydrophobicContact CE2-CG 4.35Å; F369-F406 HydrophobicContact CG-CD1 4.3Å; F369-F406 HydrophobicContact CG-CE1 4.23Å; F369-F406 AromaticContact CZ-CD1 3.84Å; F369-F406 HydrophobicContact CZ-CD1 3.84Å; T382-F406 HydrophobicContact CG2-CB 3.71Å; V385-F406 HydrophobicContact CB-CB 4.04Å; V385-F406 HydrophobicContact CG1-CB 4.04Å; M387-F406 HydrophobicContact CB-CD2 4.45Å; M387-F406 HydrophobicContact CB-CE2 3.85Å; M387-F406 HydrophobicContact CE-CE1 4.4Å; M387-F406 HydrophobicContact CE-CE2 4.37Å; M387-F406 HydrophobicContact CE-CZ 4.03Å; M387-F406 HydrophobicContact CG-CD2 4.12Å; M387-F406 HydrophobicContact CG-CE2 3.6Å; M387-F406 HydrophobicContact CG-CZ 4.14Å; M387-F406 HydrophobicContact SD-CE2 3.75Å; M387-F406 HydrophobicContact SD-CZ 3.67Å; F400-F406 HydrophobicContact CB-CE1 3.79Å; F400-F406 HydrophobicContact CB-CZ 3.54Å; A401-F406 HydrophobicContact CB-CD2 3.96Å; A401-F406 HydrophobicContact CB-CE2 3.71Å; A401-F406 HydrophobicContact CB-CG 4.5Å; A401-F406 HydrophobicContact CB-CZ 4.09Å; A401-F406 VanDerWaalsContact CB-O 3.26Å; A401-F406 WeakPolarHBondContact CB-O 3.48Å; E404-F406 HydrophobicContact CB-CD1 3.79Å; E404-F406 HydrophobicContact CB-CE1 3.9Å; E404-F406 PolarHBondContact O-N 3.45Å
407	H	98.2	Very high	95.9	Very high	74 Å²	74	37 Å²	37	34%	0.343	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.8	179.5	-66.6	-71.2	0	0	0	112.7	N383 V385 Y386 M387	N383-H407 PolarHBondContact O-CD2 3.44Å; N383-H407 PolarHBondContact O-NE2 3.01Å; V385-H407 PolarHBondContact O-N 2.93Å; Y386-H407 CarbonylContact C-O 3.52Å; Y386-H407 VanDerWaalsContact CA-O 3.26Å; Y386-H407 WeakPolarHBondContact CA-O 3.39Å; Y386-H407 HydrophobicContact CD1-CB 3.55Å; Y386-H407 HydrophobicContact CD2-CB 3.96Å; Y386-H407 HydrophobicContact CE1-CB 3.42Å; Y386-H407 VanDerWaalsContact CE1-CB 3.42Å; Y386-H407 AromaticContact CE1-CG 3.93Å; Y386-H407 HydrophobicContact CE2-CB 3.8Å; Y386-H407 AromaticContact CE2-CD2 3.46Å; Y386-H407 VanDerWaalsContact CE2-CD2 3.46Å; Y386-H407 WeakPolarHBondContact CE2-CD2 3.47Å; Y386-H407 AromaticContact CE2-CG 3.84Å; Y386-H407 HydrophobicContact CG-CB 3.81Å; Y386-H407 AromaticContact CZ-CD2 3.54Å; Y386-H407 AromaticContact CZ-CG 3.55Å; M387-H407 PolarHBondContact N-O 3.11Å
408	F	98.3	Very high	95.8	Very high	32 Å²	32	37 Å²	37	14%	0.14	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.7	168.5	171.5	-97.9	0	0	0	110.5	M387 A389 L397 Q398 A401 E410	M387-F408 WeakPolarHBondContact O-CA 3.45Å; A389-F408 HydrophobicContact CB-CE2 3.73Å; A389-F408 HydrophobicContact CB-CZ 3.98Å; L397-F408 HydrophobicContact CB-CD2 3.64Å; L397-F408 HydrophobicContact CB-CE2 3.75Å; Q398-F408 HydrophobicContact CB-CD1 3.51Å; Q398-F408 HydrophobicContact CB-CE1 3.71Å; Q398-F408 HydrophobicContact CB-CG 4.03Å; Q398-F408 HydrophobicContact CB-CZ 4.4Å; Q398-F408 HydrophobicContact CG-CD1 3.65Å; Q398-F408 HydrophobicContact CG-CE1 4.1Å; Q398-F408 HydrophobicContact CG-CG 4.39Å; A401-F408 HydrophobicContact CB-CB 3.62Å; F408-E410 HydrophobicContact CE1-CG 3.58Å; F408-E410 HydrophobicContact CZ-CG 3.85Å
409	E	97.7	Very high	95.8	Very high	52 Å²	52	34.1 Å²	34.1	24%	0.243	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.9	172.6	-62.2	-176.3	154.1	0	0	111.9	Y386 M387 L388 A389 R421	Y386-E409 HydrophobicContact CD1-CG 4.24Å; Y386-E409 HydrophobicContact CE1-CG 4.24Å; M387-E409 PolarHBondContact O-N 3.28Å; L388-E409 WeakPolarHBondContact CA-O 3.48Å; L388-E409 HydrophobicContact CD2-CB 3.73Å; A389-E409 PolarHBondContact N-O 2.62Å; E409-R421 VanDerWaalsContact CD-NH2 3.32Å; E409-R421 IonicContact OE1-CZ 3.91Å; E409-R421 IonicContact OE1-NE 3.92Å; E409-R421 IonicContact OE1-NH2 2.74Å; E409-R421 PolarHBondContact OE1-NH2 3.31Å; E409-R421 IonicContact OE2-CZ 3.16Å; E409-R421 VanDerWaalsContact OE2-CZ 3.31Å; E409-R421 IonicContact OE2-NE 3.85Å; E409-R421 PolarHBondContact OE2-NE 3.01Å; E409-R421 IonicContact OE2-NH2 3.85Å; E409-R421 PolarHBondContact OE2-NH2 3.23Å
410	E	96.9	Very high	95.7	Very high	39 Å²	39	35.5 Å²	35.5	18%	0.182	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	149	170.7	-60.1	-176.7	100.4	0	0	110.6	A389 T391 K395 F408 R532 L549	A389-E410 CarbonylContact O-C 3.31Å; A389-E410 WeakPolarHBondContact O-CA 3.41Å; T391-E410 WeakPolarHBondContact CA-OE1 3.41Å; T391-E410 HydrophobicContact CG2-CB 4.09Å; K395-E410 WeakPolarHBondContact CE-OE1 3.33Å; K395-E410 IonicContact NZ-OE1 3.66Å; K395-E410 PolarHBondContact NZ-OE1 3.42Å; F408-E410 HydrophobicContact CE1-CG 3.58Å; F408-E410 HydrophobicContact CZ-CG 3.85Å; E410-R532 IonicContact OE2-CZ 3.11Å; E410-R532 IonicContact OE2-NH1 2.99Å; E410-R532 PolarHBondContact OE2-NH1 3.11Å; E410-R532 IonicContact OE2-NH2 2.77Å; E410-L549 WeakPolarHBondContact O-CD2 3.39Å
411	T	96.2	Very high	95.6	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	162.6	171.8	56.4	0	0	0	0	110.4	A389 T390 T391 I418 R421	A389-T411 PolarHBondContact O-N 3.1Å; A389-T411 PolarHBondContact O-OG1 3.37Å; A389-T411 VanDerWaalsContact O-OG1 3.05Å; T390-T411 CarbonylContact C-O 3.41Å; T390-T411 VanDerWaalsContact CA-O 3.23Å; T390-T411 WeakPolarHBondContact CA-O 3.43Å; T391-T411 PolarHBondContact N-O 3.46Å; T411-I418 HydrophobicContact CG2-CG1 4.33Å; T411-I418 WeakPolarHBondContact OG1-CG1 3.43Å; T411-R421 HydrophobicContact CG2-CB 4.07Å; T411-R421 HydrophobicContact CG2-CG 4.31Å
412	L	94.1	Very high	95.6	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.047	19%	0.187	C	C	.	.			trans	-63.9	154.2	171.3	-71.9	-175.4	0	0	0	110.6	W417 V534 L549 P550 M556	L412-W417 HydrophobicContact CB-CD2 3.98Å; L412-W417 HydrophobicContact CB-CG 3.83Å; L412-W417 HydrophobicContact CD1-CD2 4.42Å; L412-W417 HydrophobicContact CD1-CH2 4.16Å; L412-W417 HydrophobicContact CD1-CZ2 3.73Å; L412-V534 HydrophobicContact CD2-CB 4.23Å; L412-V534 HydrophobicContact CD2-CG1 4.25Å; L412-V534 HydrophobicContact CD2-CG2 3.96Å; L412-L549 HydrophobicContact CD2-CB 4.3Å; L412-L549 HydrophobicContact CD2-CD1 4.34Å; L412-P550 HydrophobicContact CD1-CG 3.89Å; L412-P550 HydrophobicContact CG-CG 4.36Å; L412-M556 HydrophobicContact CD2-CE 4.13Å
413	P	91.8	Very high	95.5	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	-62.2	140.5	-179.8	-23.3	35	0	0	0	113.5	V392 M556 R570	V392-P413 HydrophobicContact CG1-CG 3.98Å; V392-P413 HydrophobicContact CG2-CB 4.16Å; V392-P413 HydrophobicContact CG2-CG 3.89Å; P413-M556 HydrophobicContact CG-SD 4.17Å; P413-R570 VanDerWaalsContact CB-CZ 3.41Å
414	G	90.6	Very high	95.5	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	17%	0.166	C	C	.	.	S	Bend	trans	104	118.8	-172.2	0	0	0	0	0	112	K416 W417 E437	G414-K416 PolarHBondContact O-N 3.11Å; G414-W417 VanDerWaalsContact O-CD1 3.29Å; G414-W417 PolarHBondContact O-N 3Å; G414-E437 WeakPolarHBondContact CA-OE1 3.45Å; G414-E437 PolarHBondContact N-OE1 3.21Å
415	F	92.6	Very high	95.6	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.022	16%	0.157	C	C	.	.	H	α-helix	trans	-50.8	-16.4	179.7	-118.4	-100.5	0	0	0	116.5	W417 I418 G419 A435 E437 L443 K451	F415-W417 PolarHBondContact O-N 2.76Å; F415-I418 HydrophobicContact CD1-CB 4.03Å; F415-I418 HydrophobicContact CD1-CG2 3.93Å; F415-I418 HydrophobicContact CD2-CD1 3.73Å; F415-I418 HydrophobicContact CE1-CB 4.24Å; F415-I418 HydrophobicContact CE1-CD1 4.4Å; F415-I418 HydrophobicContact CE1-CG2 3.67Å; F415-I418 HydrophobicContact CE2-CD1 3.58Å; F415-I418 HydrophobicContact CG-CB 4.25Å; F415-I418 HydrophobicContact CG-CD1 4.21Å; F415-I418 HydrophobicContact CZ-CD1 3.96Å; F415-I418 HydrophobicContact CZ-CG2 4.09Å; F415-I418 PolarHBondContact O-N 3.19Å; F415-G419 PolarHBondContact O-N 2.85Å; F415-A435 HydrophobicContact CZ-CB 4.34Å; F415-E437 HydrophobicContact CD2-CB 4.24Å; F415-E437 HydrophobicContact CD2-CG 3.76Å; F415-E437 WeakPolarHBondContact CD2-OE2 3.33Å; F415-E437 HydrophobicContact CE2-CB 4.3Å; F415-E437 HydrophobicContact CE2-CG 4.14Å; F415-E437 PolarHBondContact N-OE2 3.42Å; F415-L443 HydrophobicContact CE1-CB 3.79Å; F415-L443 HydrophobicContact CE1-CD1 3.83Å; F415-L443 HydrophobicContact CE1-CG 4.49Å; F415-L443 HydrophobicContact CZ-CB 3.85Å; F415-K451 HydrophobicContact CB-CD 4.31Å; F415-K451 HydrophobicContact CB-CG 4.06Å; F415-K451 HydrophobicContact CD1-CG 3.71Å; F415-K451 HydrophobicContact CD2-CD 3.61Å; F415-K451 HydrophobicContact CD2-CG 3.2Å; F415-K451 HydrophobicContact CE1-CG 3.84Å; F415-K451 HydrophobicContact CE2-CD 4.06Å; F415-K451 HydrophobicContact CE2-CG 3.38Å; F415-K451 HydrophobicContact CG-CD 4Å; F415-K451 HydrophobicContact CG-CG 3.38Å; F415-K451 HydrophobicContact CZ-CB 4.5Å; F415-K451 HydrophobicContact CZ-CG 3.69Å
416	K	92.9	Very high	95.5	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-52.2	-37.1	166.8	74.8	178	-176.3	-179.2	0	112.9	G70 Q195 I196 A197 D201 G414 N420	G70-K416 PolarHBondContact O-NZ 3.2Å; Q195-K416 HydrophobicContact CB-CB 3.83Å; Q195-K416 HydrophobicContact CG-CB 4.4Å; I196-K416 WeakPolarHBondContact O-CD 3.39Å; A197-K416 HydrophobicContact CB-CD 4.18Å; D201-K416 IonicContact OD2-NZ 3.76Å; G414-K416 PolarHBondContact O-N 3.11Å; K416-N420 WeakPolarHBondContact O-CB 3.24Å; K416-N420 PolarHBondContact O-N 2.94Å; K416-N420 PolarHBondContact O-ND2 3.4Å
417	W	95.3	Very high	95.4	Very high	71 Å²	71	39.5 Å²	39.5	27%	0.269	19%	0.187	S	C	.	.	H	α-helix	trans	-75	-41.8	178.2	-58.6	106.1	0	0	0	112	L412 G414 F415 R421 P550	L412-W417 HydrophobicContact CB-CD2 3.98Å; L412-W417 HydrophobicContact CB-CG 3.83Å; L412-W417 HydrophobicContact CD1-CD2 4.42Å; L412-W417 HydrophobicContact CD1-CH2 4.16Å; L412-W417 HydrophobicContact CD1-CZ2 3.73Å; G414-W417 VanDerWaalsContact O-CD1 3.29Å; G414-W417 PolarHBondContact O-N 3Å; F415-W417 PolarHBondContact O-N 2.76Å; W417-R421 WeakPolarHBondContact O-CB 3.46Å; W417-R421 PolarHBondContact O-N 3Å; W417-P550 HydrophobicContact CE3-CG 4.2Å; W417-P550 HydrophobicContact CH2-CG 3.96Å; W417-P550 HydrophobicContact CZ3-CB 4.48Å; W417-P550 HydrophobicContact CZ3-CG 3.62Å
418	I	96.8	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-52.4	173.3	-68.6	177	0	0	0	110.5	L388 T390 T411 F415 N420 R421 I422 A435 E437	L388-I418 HydrophobicContact CD1-CG2 4.19Å; T390-I418 HydrophobicContact CG2-CD1 3.96Å; T390-I418 HydrophobicContact CG2-CG1 4.47Å; T411-I418 HydrophobicContact CG2-CG1 4.33Å; T411-I418 WeakPolarHBondContact OG1-CG1 3.43Å; F415-I418 HydrophobicContact CD1-CB 4.03Å; F415-I418 HydrophobicContact CD1-CG2 3.93Å; F415-I418 HydrophobicContact CD2-CD1 3.73Å; F415-I418 HydrophobicContact CE1-CB 4.24Å; F415-I418 HydrophobicContact CE1-CD1 4.4Å; F415-I418 HydrophobicContact CE1-CG2 3.67Å; F415-I418 HydrophobicContact CE2-CD1 3.58Å; F415-I418 HydrophobicContact CG-CB 4.25Å; F415-I418 HydrophobicContact CG-CD1 4.21Å; F415-I418 HydrophobicContact CZ-CD1 3.96Å; F415-I418 HydrophobicContact CZ-CG2 4.09Å; F415-I418 PolarHBondContact O-N 3.19Å; I418-N420 PolarHBondContact O-N 2.85Å; I418-R421 PolarHBondContact O-N 2.85Å; I418-R421 VanDerWaalsContact O-N 3.11Å; I418-I422 HydrophobicContact CG2-CD1 3.74Å; I418-I422 HydrophobicContact CG2-CG1 4.37Å; I418-I422 VanDerWaalsContact O-CG1 3.3Å; I418-I422 WeakPolarHBondContact O-CG1 3.49Å; I418-I422 PolarHBondContact O-N 2.73Å; I418-A435 HydrophobicContact CG2-CB 3.57Å; I418-E437 HydrophobicContact CD1-CG 4.45Å
419	G	96.3	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-40.4	-178.2	0	0	0	0	0	113.6	A194 F415 H423 P449	A194-G419 VanDerWaalsContact CB-C 3.47Å; F415-G419 PolarHBondContact O-N 2.85Å; G419-H423 PolarHBondContact O-N 2.88Å; G419-H423 VanDerWaalsContact O-N 3.16Å; G419-P449 WeakPolarHBondContact CA-O 3.39Å
420	N	95.8	Very high	94.9	Very high	39 Å²	39	41.2 Å²	41.2	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-38.2	174	-78.7	-75	0	0	0	111.6	A194 Q195 K416 I418 H423 E424	A194-N420 HydrophobicContact CB-CB 4.45Å; Q195-N420 PolarHBondContact O-ND2 2.81Å; K416-N420 WeakPolarHBondContact O-CB 3.24Å; K416-N420 PolarHBondContact O-N 2.94Å; K416-N420 PolarHBondContact O-ND2 3.4Å; I418-N420 PolarHBondContact O-N 2.85Å; N420-H423 WeakPolarHBondContact O-CB 3.2Å; N420-H423 PolarHBondContact O-N 3.07Å; N420-H423 VanDerWaalsContact O-N 3.17Å; N420-E424 WeakPolarHBondContact O-CG 3.31Å; N420-E424 PolarHBondContact O-N 2.77Å
421	R	96.8	Very high	94.9	Very high	73 Å²	73	44.3 Å²	44.3	28%	0.275	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-38.2	177.2	-171.1	56.1	179.8	162.8	4.8	113	L388 E409 T411 W417 I418 H423 E424 L425	L388-R421 HydrophobicContact CD1-CB 4.14Å; L388-R421 HydrophobicContact CD1-CG 4.13Å; L388-R421 HydrophobicContact CD2-CG 4.37Å; E409-R421 VanDerWaalsContact CD-NH2 3.32Å; E409-R421 IonicContact OE1-CZ 3.91Å; E409-R421 IonicContact OE1-NE 3.92Å; E409-R421 IonicContact OE1-NH2 2.74Å; E409-R421 PolarHBondContact OE1-NH2 3.31Å; E409-R421 IonicContact OE2-CZ 3.16Å; E409-R421 VanDerWaalsContact OE2-CZ 3.31Å; E409-R421 IonicContact OE2-NE 3.85Å; E409-R421 PolarHBondContact OE2-NE 3.01Å; E409-R421 IonicContact OE2-NH2 3.85Å; E409-R421 PolarHBondContact OE2-NH2 3.23Å; T411-R421 HydrophobicContact CG2-CB 4.07Å; T411-R421 HydrophobicContact CG2-CG 4.31Å; W417-R421 WeakPolarHBondContact O-CB 3.46Å; W417-R421 PolarHBondContact O-N 3Å; I418-R421 PolarHBondContact O-N 2.85Å; I418-R421 VanDerWaalsContact O-N 3.11Å; R421-H423 VanDerWaalsContact C-N 3.28Å; R421-H423 PolarHBondContact O-N 2.87Å; R421-E424 VanDerWaalsContact CD-OE2 3.24Å; R421-E424 WeakPolarHBondContact CD-OE2 3.13Å; R421-E424 IonicContact CZ-OE2 2.83Å; R421-E424 IonicContact NE-OE2 2.81Å; R421-E424 IonicContact NH1-OE2 3.5Å; R421-E424 PolarHBondContact NH1-OE2 3.15Å; R421-E424 PolarHBondContact O-N 2.79Å; R421-L425 HydrophobicContact CG-CD1 4.08Å; R421-L425 HydrophobicContact CG-CG 4.43Å; R421-L425 WeakPolarHBondContact O-CB 3.35Å; R421-L425 WeakPolarHBondContact O-CG 3.16Å; R421-L425 PolarHBondContact O-N 3.17Å
422	I	96.7	Very high	94.9	Very high	24 Å²	24	44.3 Å²	44.3	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-45.8	169.3	-68.7	166.1	0	0	0	110.2	L388 I418 L425 S426 V432 L443 P449	L388-I422 HydrophobicContact CD1-CG1 3.77Å; I418-I422 HydrophobicContact CG2-CD1 3.74Å; I418-I422 HydrophobicContact CG2-CG1 4.37Å; I418-I422 VanDerWaalsContact O-CG1 3.3Å; I418-I422 WeakPolarHBondContact O-CG1 3.49Å; I418-I422 PolarHBondContact O-N 2.73Å; I422-L425 PolarHBondContact O-N 3.15Å; I422-S426 WeakPolarHBondContact O-CB 3.33Å; I422-S426 PolarHBondContact O-N 3.06Å; I422-S426 PolarHBondContact O-OG 2.85Å; I422-V432 HydrophobicContact CD1-CG1 4.38Å; I422-V432 HydrophobicContact CG1-CB 3.99Å; I422-V432 HydrophobicContact CG1-CG1 4.08Å; I422-V432 HydrophobicContact CG1-CG2 3.86Å; I422-L443 HydrophobicContact CD1-CD1 3.44Å; I422-L443 VanDerWaalsContact CD1-CD1 3.44Å; I422-L443 HydrophobicContact CD1-CD2 4.49Å; I422-P449 HydrophobicContact CD1-CB 4.48Å; I422-P449 HydrophobicContact CG2-CB 4.45Å
423	H	95.2	Very high	95.1	Very high	62 Å²	62	44 Å²	44	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-39.9	178.6	179.5	55.9	0	0	0	112.6	G419 N420 R421 S426 K427	G419-H423 PolarHBondContact O-N 2.88Å; G419-H423 VanDerWaalsContact O-N 3.16Å; N420-H423 WeakPolarHBondContact O-CB 3.2Å; N420-H423 PolarHBondContact O-N 3.07Å; N420-H423 VanDerWaalsContact O-N 3.17Å; R421-H423 VanDerWaalsContact C-N 3.28Å; R421-H423 PolarHBondContact O-N 2.87Å; H423-S426 PolarHBondContact O-OG 2.93Å; H423-K427 PolarHBondContact CD2-NZ 3.15Å; H423-K427 WeakPolarHBondContact CE1-CE 3.48Å; H423-K427 WeakPolarHBondContact NE2-CE 3.03Å; H423-K427 PolarHBondContact NE2-NZ 3.07Å
424	E	95.4	Very high	95.4	Very high	96 Å²	96	43.6 Å²	43.6	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-52.4	173.6	-71.2	172.1	-175.8	0	0	112.3	N420 R421 S426 K427	N420-E424 WeakPolarHBondContact O-CG 3.31Å; N420-E424 PolarHBondContact O-N 2.77Å; R421-E424 VanDerWaalsContact CD-OE2 3.24Å; R421-E424 WeakPolarHBondContact CD-OE2 3.13Å; R421-E424 IonicContact CZ-OE2 2.83Å; R421-E424 IonicContact NE-OE2 2.81Å; R421-E424 IonicContact NH1-OE2 3.5Å; R421-E424 PolarHBondContact NH1-OE2 3.15Å; R421-E424 PolarHBondContact O-N 2.79Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 2.81Å; E424-K427 WeakPolarHBondContact O-CB 3.18Å; E424-K427 PolarHBondContact O-N 3.12Å
425	L	96.5	Very high	95.8	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-41.2	-179.9	-72.8	170.3	0	0	0	111.4	Y386 L388 R421 I422 K427 T428 N430 V432	Y386-L425 HydrophobicContact CD1-CD1 3.62Å; Y386-L425 HydrophobicContact CD1-CD2 3.8Å; Y386-L425 HydrophobicContact CD1-CG 4.38Å; Y386-L425 HydrophobicContact CE1-CD1 4.24Å; Y386-L425 HydrophobicContact CE1-CD2 3.54Å; Y386-L425 HydrophobicContact CE2-CD2 4.38Å; Y386-L425 HydrophobicContact CG-CD1 3.91Å; Y386-L425 HydrophobicContact CG-CD2 4.32Å; L388-L425 HydrophobicContact CD1-CD1 4.49Å; L388-L425 HydrophobicContact CD2-CD1 4.14Å; R421-L425 HydrophobicContact CG-CD1 4.08Å; R421-L425 HydrophobicContact CG-CG 4.43Å; R421-L425 WeakPolarHBondContact O-CB 3.35Å; R421-L425 WeakPolarHBondContact O-CG 3.16Å; R421-L425 PolarHBondContact O-N 3.17Å; I422-L425 PolarHBondContact O-N 3.15Å; L425-K427 PolarHBondContact O-N 2.69Å; L425-T428 PolarHBondContact O-N 3.21Å; L425-T428 PolarHBondContact O-OG1 3.22Å; L425-N430 CarbonylContact C-O 3.59Å; L425-N430 HydrophobicContact CB-CB 3.96Å; L425-N430 HydrophobicContact CD2-CB 4.13Å; L425-N430 WeakPolarHBondContact O-CB 3.24Å; L425-N430 PolarHBondContact O-N 3.22Å; L425-N430 VanDerWaalsContact O-N 3.14Å; L425-V432 HydrophobicContact CD1-CG2 3.7Å
426	S	94.7	Very high	96.1	Very high	66 Å²	66	43.2 Å²	43.2	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-28.5	177.8	74.4	0	0	0	0	114.1	I422 H423 E424 T428 G429	I422-S426 WeakPolarHBondContact O-CB 3.33Å; I422-S426 PolarHBondContact O-N 3.06Å; I422-S426 PolarHBondContact O-OG 2.85Å; H423-S426 PolarHBondContact O-OG 2.93Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 2.81Å; S426-T428 PolarHBondContact O-N 2.73Å; S426-G429 PolarHBondContact O-N 3.1Å
427	K	95	Very high	96.2	Very high	145 Å²	145	43.2 Å²	43.2	63%	0.63	22%	0.223	S	C	*	.	H	α-helix	trans	-71.3	-19.7	176.4	-66.8	170.8	-175.3	170	0	113	H423 E424 L425	H423-K427 PolarHBondContact CD2-NZ 3.15Å; H423-K427 WeakPolarHBondContact CE1-CE 3.48Å; H423-K427 WeakPolarHBondContact NE2-CE 3.03Å; H423-K427 PolarHBondContact NE2-NZ 3.07Å; E424-K427 WeakPolarHBondContact O-CB 3.18Å; E424-K427 PolarHBondContact O-N 3.12Å; L425-K427 PolarHBondContact O-N 2.69Å
428	T	95.3	Very high	96.2	Very high	97 Å²	97	40.8 Å²	40.8	60%	0.595	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	10.6	178.4	55.4	0	0	0	0	112.9	L425 S426 N430	L425-T428 PolarHBondContact O-N 3.21Å; L425-T428 PolarHBondContact O-OG1 3.22Å; S426-T428 PolarHBondContact O-N 2.73Å; T428-N430 PolarHBondContact O-N 2.8Å; T428-N430 PolarHBondContact OG1-ND2 3.43Å
429	G	93.4	Very high	96	Very high	62 Å²	62	41.3 Å²	41.3	64%	0.639	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	2.1	-177	0	0	0	0	0	114.7	S426	S426-G429 PolarHBondContact O-N 3.1Å
430	N	95.7	Very high	96	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	22%	0.22	C	C	.	.			trans	-80.2	143.7	179.2	-69.4	-44.6	0	0	0	111.4	Y386 L425 T428	Y386-N430 HydrophobicContact CD2-CB 3.77Å; Y386-N430 HydrophobicContact CE2-CB 3.62Å; Y386-N430 WeakPolarHBondContact CE2-OD1 3.24Å; L425-N430 CarbonylContact C-O 3.59Å; L425-N430 HydrophobicContact CB-CB 3.96Å; L425-N430 HydrophobicContact CD2-CB 4.13Å; L425-N430 WeakPolarHBondContact O-CB 3.24Å; L425-N430 PolarHBondContact O-N 3.22Å; L425-N430 VanDerWaalsContact O-N 3.14Å; T428-N430 PolarHBondContact O-N 2.8Å; T428-N430 PolarHBondContact OG1-ND2 3.43Å
431	R	95.2	Very high	96.1	Very high	105 Å²	105	39.8 Å²	39.8	40%	0.396	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.4	-173.5	175.8	-179.6	167.4	-172.1	-3	110.5	H376 S384 V385 Y386 I433	H376-R431 PolarHBondContact CE1-NH1 3.26Å; H376-R431 PolarHBondContact NE2-NH1 3.15Å; S384-R431 PolarHBondContact O-N 3.45Å; V385-R431 WeakPolarHBondContact CA-O 3.14Å; Y386-R431 PolarHBondContact N-O 2.98Å; R431-I433 HydrophobicContact CG-CG2 3.92Å
432	V	97.9	Very high	96.2	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128	166.3	-179.7	0	0	0	0	108.5	Y386 L388 I422 L425 A435	Y386-V432 VanDerWaalsContact O-CA 3.3Å; Y386-V432 WeakPolarHBondContact O-CA 3.37Å; L388-V432 HydrophobicContact CD1-CG1 4.24Å; L388-V432 HydrophobicContact CD1-CG2 3.88Å; L388-V432 HydrophobicContact CG-CG1 4.1Å; L388-V432 HydrophobicContact CG-CG2 4.05Å; I422-V432 HydrophobicContact CD1-CG1 4.38Å; I422-V432 HydrophobicContact CG1-CB 3.99Å; I422-V432 HydrophobicContact CG1-CG1 4.08Å; I422-V432 HydrophobicContact CG1-CG2 3.86Å; L425-V432 HydrophobicContact CD1-CG2 3.7Å; V432-A435 HydrophobicContact CG1-CB 4.35Å
433	I	97.5	Very high	96.2	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-17.7	179.2	62.9	166.6	0	0	0	113.7	F369 W372 V385 Y386 M387 R431 G445	F369-I433 HydrophobicContact CB-CD1 4.39Å; F369-I433 HydrophobicContact CD2-CD1 3.92Å; W372-I433 HydrophobicContact CB-CD1 4.18Å; W372-I433 HydrophobicContact CG-CD1 4.22Å; V385-I433 HydrophobicContact CG1-CD1 3.54Å; V385-I433 HydrophobicContact CG1-CG1 3.73Å; V385-I433 HydrophobicContact CG1-CG2 4.15Å; Y386-I433 PolarHBondContact O-N 2.82Å; M387-I433 HydrophobicContact CE-CD1 3.74Å; M387-I433 HydrophobicContact CE-CG1 3.98Å; M387-I433 HydrophobicContact CG-CG1 4.19Å; R431-I433 HydrophobicContact CG-CG2 3.92Å; I433-G445 WeakPolarHBondContact O-CA 3.09Å; I433-G445 PolarHBondContact O-N 2.96Å
434	F	98.6	Very high	96.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	140.8	175.7	-177	-117.2	0	0	0	110.2	A361 L364 G365 M368 M387 L388 L397 F436 F442 L443	A361-F434 HydrophobicContact CB-CE1 4.12Å; A361-F434 HydrophobicContact CB-CZ 4.16Å; A361-F434 WeakPolarHBondContact O-CE1 3.44Å; L364-F434 HydrophobicContact CB-CD2 4.31Å; L364-F434 HydrophobicContact CB-CE1 4.4Å; L364-F434 HydrophobicContact CB-CE2 3.51Å; L364-F434 HydrophobicContact CB-CZ 3.56Å; L364-F434 HydrophobicContact CD1-CE2 4.17Å; L364-F434 HydrophobicContact CD1-CZ 4.39Å; L364-F434 HydrophobicContact CG-CE2 4.45Å; G365-F434 VanDerWaalsContact CA-CD1 3.48Å; M368-F434 HydrophobicContact CB-CB 4.19Å; M368-F434 HydrophobicContact CG-CB 4.11Å; M368-F434 HydrophobicContact CG-CD2 4.05Å; M368-F434 HydrophobicContact CG-CG 4.33Å; M387-F434 VanDerWaalsContact CA-O 3.29Å; M387-F434 WeakPolarHBondContact CA-O 3.48Å; M387-F434 HydrophobicContact CE-CB 4.21Å; M387-F434 HydrophobicContact CG-CB 4.15Å; M387-F434 HydrophobicContact SD-CB 4.07Å; M387-F434 HydrophobicContact SD-CD1 4.18Å; L388-F434 PolarHBondContact N-O 3.49Å; L388-F434 VanDerWaalsContact N-O 3.14Å; L397-F434 HydrophobicContact CD1-CD1 3.68Å; L397-F434 HydrophobicContact CD1-CE1 3.87Å; L397-F434 HydrophobicContact CD2-CD1 4.24Å; L397-F434 HydrophobicContact CD2-CE1 4.31Å; F434-F436 HydrophobicContact CE1-CB 4.23Å; F434-F436 HydrophobicContact CE1-CD1 4.05Å; F434-F436 HydrophobicContact CE1-CG 4.39Å; F434-F436 HydrophobicContact CZ-CB 4Å; F434-F442 HydrophobicContact CE2-CB 4.35Å; F434-F442 HydrophobicContact CE2-CD1 4.39Å; F434-F442 HydrophobicContact CZ-CD1 4.02Å; F434-L443 WeakPolarHBondContact CA-O 3.23Å; F434-L443 WeakPolarHBondContact CD2-O 3.38Å
435	A	98.6	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.6	169.6	0	0	0	0	0	112.4	L388 F415 I418 V432 L443	L388-A435 HydrophobicContact CB-CB 3.87Å; L388-A435 WeakPolarHBondContact O-CA 3.37Å; F415-A435 HydrophobicContact CZ-CB 4.34Å; I418-A435 HydrophobicContact CG2-CB 3.57Å; V432-A435 HydrophobicContact CG1-CB 4.35Å; A435-L443 HydrophobicContact CB-CB 4.33Å; A435-L443 PolarHBondContact N-O 3.15Å; A435-L443 PolarHBondContact O-N 3.15Å
436	F	98.1	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.7	-179.7	85.3	-73.8	0	0	0	117.3	N358 A361 L388 A389 S393 L397 F434 G441 F442	N358-F436 WeakPolarHBondContact OD1-CE2 3.32Å; A361-F436 HydrophobicContact CB-CB 4.13Å; A361-F436 HydrophobicContact CB-CD1 3.73Å; A361-F436 HydrophobicContact CB-CD2 3.23Å; A361-F436 HydrophobicContact CB-CE1 3.82Å; A361-F436 HydrophobicContact CB-CE2 3.31Å; A361-F436 HydrophobicContact CB-CG 3.42Å; A361-F436 VanDerWaalsContact CB-CG 3.42Å; A361-F436 HydrophobicContact CB-CZ 3.6Å; L388-F436 PolarHBondContact O-N 3.09Å; L388-F436 VanDerWaalsContact O-N 3.14Å; A389-F436 WeakPolarHBondContact CA-O 3.41Å; A389-F436 HydrophobicContact CB-CD1 3.79Å; A389-F436 HydrophobicContact CB-CE1 3.46Å; A389-F436 VanDerWaalsContact CB-CE1 3.46Å; A389-F436 HydrophobicContact CB-CZ 4.18Å; S393-F436 PolarHBondContact OG-O 3.24Å; L397-F436 HydrophobicContact CD1-CD1 3.58Å; L397-F436 HydrophobicContact CD1-CE1 3.48Å; L397-F436 VanDerWaalsContact CD1-CE1 3.48Å; L397-F436 HydrophobicContact CG-CD1 4.36Å; L397-F436 HydrophobicContact CG-CE1 3.81Å; F434-F436 HydrophobicContact CE1-CB 4.23Å; F434-F436 HydrophobicContact CE1-CD1 4.05Å; F434-F436 HydrophobicContact CE1-CG 4.39Å; F434-F436 HydrophobicContact CZ-CB 4Å; F436-G441 CarbonylContact C-O 3.6Å; F436-G441 WeakPolarHBondContact CA-O 3.42Å; F436-G441 WeakPolarHBondContact CB-O 3.49Å; F436-F442 HydrophobicContact CB-CD1 3.81Å; F436-F442 HydrophobicContact CB-CE1 4.28Å
437	E	96.2	Very high	95.8	Very high	18 Å²	18	30.1 Å²	30.1	8%	0.084	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.9	162.2	-85.2	-168.2	108.9	0	0	109.9	T390 G414 F415 I418 S439 I440 G441	T390-E437 HydrophobicContact CG2-CG 3.41Å; T390-E437 VanDerWaalsContact CG2-CG 3.41Å; G414-E437 WeakPolarHBondContact CA-OE1 3.45Å; G414-E437 PolarHBondContact N-OE1 3.21Å; F415-E437 HydrophobicContact CD2-CB 4.24Å; F415-E437 HydrophobicContact CD2-CG 3.76Å; F415-E437 WeakPolarHBondContact CD2-OE2 3.33Å; F415-E437 HydrophobicContact CE2-CB 4.3Å; F415-E437 HydrophobicContact CE2-CG 4.14Å; F415-E437 PolarHBondContact N-OE2 3.42Å; I418-E437 HydrophobicContact CD1-CG 4.45Å; E437-S439 PolarHBondContact O-N 2.92Å; E437-I440 PolarHBondContact O-N 3.04Å; E437-G441 PolarHBondContact N-O 2.63Å; E437-G441 PolarHBondContact O-N 3.39Å
438	E	94.8	Very high	95.7	Very high	19 Å²	19	23.4 Å²	23.4	9%	0.089	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.2	177.8	85.9	-67.3	-167.4	0	0	112.4	G357 V392 S393 I440 Y581	G357-E438 WeakPolarHBondContact CA-O 3.37Å; V392-E438 WeakPolarHBondContact CG2-OE1 3.3Å; S393-E438 PolarHBondContact OG-N 2.89Å; E438-I440 PolarHBondContact O-N 3.3Å; E438-Y581 HydrophobicContact CG-CD1 4.42Å; E438-Y581 HydrophobicContact CG-CE1 3.85Å; E438-Y581 WeakPolarHBondContact OE1-CE1 3.38Å; E438-Y581 PolarHBondContact OE1-OH 3.12Å
439	S	93.1	Very high	95.6	Very high	12 Å²	12	19.1 Å²	19.1	8%	0.084	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	53.4	173.9	67.8	0	0	0	0	112	E310 R340 E437 G441	E310-S439 WeakPolarHBondContact OE2-CB 3.48Å; R340-S439 PolarHBondContact NH2-OG 3.38Å; R340-S439 VanDerWaalsContact NH2-OG 3.12Å; E437-S439 PolarHBondContact O-N 2.92Å; S439-G441 PolarHBondContact O-N 3.46Å; S439-G441 VanDerWaalsContact O-N 3.07Å
440	I	96.2	Very high	95.7	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.036	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	34.9	173.1	60.1	161.7	0	0	0	115.8	P309 E310 R340 L341 A342 E437 E438 F442	P309-I440 HydrophobicContact CB-CD1 3.58Å; P309-I440 HydrophobicContact CG-CD1 3.86Å; E310-I440 HydrophobicContact CB-CD1 3.99Å; E310-I440 HydrophobicContact CB-CG1 4.12Å; E310-I440 HydrophobicContact CG-CG1 4.39Å; R340-I440 WeakPolarHBondContact CA-O 3.22Å; R340-I440 HydrophobicContact CB-CD1 3.9Å; R340-I440 HydrophobicContact CB-CG1 3.95Å; R340-I440 WeakPolarHBondContact CB-O 2.9Å; R340-I440 HydrophobicContact CG-CD1 4.48Å; R340-I440 HydrophobicContact CG-CG1 4.13Å; L341-I440 PolarHBondContact N-O 2.99Å; A342-I440 HydrophobicContact CB-CD1 4.4Å; E437-I440 PolarHBondContact O-N 3.04Å; E438-I440 PolarHBondContact O-N 3.3Å; I440-F442 VanDerWaalsContact C-CE2 3.43Å; I440-F442 HydrophobicContact CB-CE2 4.26Å; I440-F442 WeakPolarHBondContact O-CE2 3.39Å
441	G	97.3	Very high	95.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.3	-178.1	0	0	0	0	0	111.7	F436 E437 S439	F436-G441 CarbonylContact C-O 3.6Å; F436-G441 WeakPolarHBondContact CA-O 3.42Å; F436-G441 WeakPolarHBondContact CB-O 3.49Å; E437-G441 PolarHBondContact N-O 2.63Å; E437-G441 PolarHBondContact O-N 3.39Å; S439-G441 PolarHBondContact O-N 3.46Å; S439-G441 VanDerWaalsContact O-N 3.07Å
442	F	98.4	Very high	95.9	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.009	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.1	-173.3	-48.8	-76.3	0	0	0	112	L341 G357 L360 A361 L364 F434 F436 I440 K451 D452 A456	L341-F442 HydrophobicContact CB-CD2 4.26Å; L341-F442 HydrophobicContact CB-CE2 4.35Å; L341-F442 WeakPolarHBondContact O-CE2 3.49Å; G357-F442 WeakPolarHBondContact O-CE1 3.49Å; L360-F442 HydrophobicContact CB-CE1 4.31Å; L360-F442 HydrophobicContact CB-CZ 3.9Å; L360-F442 HydrophobicContact CD2-CD2 4.48Å; L360-F442 HydrophobicContact CD2-CE2 3.61Å; L360-F442 HydrophobicContact CD2-CZ 3.64Å; L360-F442 HydrophobicContact CG-CE1 4.3Å; L360-F442 HydrophobicContact CG-CE2 4.2Å; L360-F442 HydrophobicContact CG-CZ 3.82Å; A361-F442 HydrophobicContact CB-CE1 4.02Å; L364-F442 HydrophobicContact CD1-CB 4.05Å; L364-F442 HydrophobicContact CD1-CD1 3.77Å; L364-F442 HydrophobicContact CD1-CD2 4.2Å; L364-F442 HydrophobicContact CD1-CE1 4.29Å; L364-F442 HydrophobicContact CD1-CG 3.71Å; F434-F442 HydrophobicContact CE2-CB 4.35Å; F434-F442 HydrophobicContact CE2-CD1 4.39Å; F434-F442 HydrophobicContact CZ-CD1 4.02Å; F436-F442 HydrophobicContact CB-CD1 3.81Å; F436-F442 HydrophobicContact CB-CE1 4.28Å; I440-F442 VanDerWaalsContact C-CE2 3.43Å; I440-F442 HydrophobicContact CB-CE2 4.26Å; I440-F442 WeakPolarHBondContact O-CE2 3.39Å; F442-K451 CarbonylContact O-C 3.56Å; F442-K451 WeakPolarHBondContact O-CA 3.32Å; F442-D452 PolarHBondContact O-N 2.93Å; F442-A456 HydrophobicContact CB-CB 4.16Å; F442-A456 HydrophobicContact CD2-CB 4.44Å
443	L	97.8	Very high	96	Very high	5 Å²	5	9.9 Å²	9.9	3%	0.026	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.4	170.8	177.7	167.7	0	0	0	107.5	F415 I422 F434 A435 G445 V448	F415-L443 HydrophobicContact CE1-CB 3.79Å; F415-L443 HydrophobicContact CE1-CD1 3.83Å; F415-L443 HydrophobicContact CE1-CG 4.49Å; F415-L443 HydrophobicContact CZ-CB 3.85Å; I422-L443 HydrophobicContact CD1-CD1 3.44Å; I422-L443 VanDerWaalsContact CD1-CD1 3.44Å; I422-L443 HydrophobicContact CD1-CD2 4.49Å; F434-L443 WeakPolarHBondContact CA-O 3.23Å; F434-L443 WeakPolarHBondContact CD2-O 3.38Å; A435-L443 HydrophobicContact CB-CB 4.33Å; A435-L443 PolarHBondContact N-O 3.15Å; A435-L443 PolarHBondContact O-N 3.15Å; L443-G445 WeakPolarHBondContact CD2-O 3.45Å; L443-V448 WeakPolarHBondContact CD1-O 3.24Å
444	C	97.5	Very high	96	Very high	5 Å²	5	9.8 Å²	9.8	3%	0.034	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.7	176.5	-68	0	0	0	0	110	L249 M368 V459	L249-C444 HydrophobicContact CD1-CB 4.03Å; L249-C444 WeakPolarHBondContact CD1-O 3.39Å; M368-C444 HydrophobicContact SD-CB 3.94Å; C444-V459 HydrophobicContact CB-CG2 4.25Å
445	G	93.4	Very high	96	Very high	9 Å²	9	9.9 Å²	9.9	9%	0.093	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-132.7	-178.3	0	0	0	0	0	113.2	I433 L443	I433-G445 WeakPolarHBondContact O-CA 3.09Å; I433-G445 PolarHBondContact O-N 2.96Å; L443-G445 WeakPolarHBondContact CD2-O 3.45Å
446	S	89.3	Confident	96	Very high	79 Å²	79	9.9 Å²	9.9	55%	0.552	6%	0.061	S	C	*	.	T	Hydrogen-bonded Turn	trans	-146	14.6	-170.9	60.3	0	0	0	0	115.1	V448	S446-V448 PolarHBondContact O-N 3.19Å
447	I	92.4	Very high	96	Very high	21 Å²	21	9.9 Å²	9.9	11%	0.108	6%	0.061	C	C	.	.	S	Bend	trans	-60.5	-45.8	-176.3	-60	176.2	0	0	0	111.1	Y161 Y242 D245 L246 L249	Y161-I447 HydrophobicContact CD2-CG2 3.76Å; Y161-I447 HydrophobicContact CE2-CG2 3.63Å; Y242-I447 HydrophobicContact CD2-CG2 4.32Å; Y242-I447 HydrophobicContact CE2-CG2 4.42Å; D245-I447 HydrophobicContact CB-CD1 4.43Å; D245-I447 HydrophobicContact CB-CG2 4.21Å; L246-I447 HydrophobicContact CB-CD1 4.45Å; L246-I447 HydrophobicContact CD1-CD1 4.13Å; L249-I447 HydrophobicContact CD1-CD1 3.85Å; L249-I447 HydrophobicContact CG-CD1 4.01Å
448	V	92.7	Very high	96.2	Very high	5 Å²	5	9 Å²	9	3%	0.03	6%	0.057	C	C	.	.			trans	-138.3	136.6	-177.1	64.6	0	0	0	0	110.3	P157 P160 L443 S446 E450 D452	P157-V448 HydrophobicContact CB-CG1 3.95Å; P157-V448 HydrophobicContact CB-CG2 4.25Å; P160-V448 HydrophobicContact CB-CG2 4.11Å; P160-V448 HydrophobicContact CG-CG2 3.72Å; L443-V448 WeakPolarHBondContact CD1-O 3.24Å; S446-V448 PolarHBondContact O-N 3.19Å; V448-E450 HydrophobicContact CG2-CB 4.03Å; V448-E450 PolarHBondContact O-N 2.8Å; V448-E450 VanDerWaalsContact O-N 3.1Å; V448-D452 HydrophobicContact CG1-CB 4.19Å
449	P	93.8	Very high	96.3	Very high	6 Å²	6	8.1 Å²	8.1	4%	0.039	5%	0.053	C	C	.	.	S	Bend	trans	-85	44.3	177.8	37.1	-37.5	0	0	0	112.2	K164 G193 G419 I422	K164-P449 HydrophobicContact CD-CG 4.47Å; G193-P449 VanDerWaalsContact C-CG 3.48Å; G419-P449 WeakPolarHBondContact CA-O 3.39Å; I422-P449 HydrophobicContact CD1-CB 4.48Å; I422-P449 HydrophobicContact CG2-CB 4.45Å
450	E	95.7	Very high	96.6	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.009	5%	0.049	C	C	.	.	S	Bend	trans	-143.8	162.3	-179.8	179.6	55.8	-82.9	0	0	108.1	T156 P160 Y189 V448	T156-E450 HydrophobicContact CG2-CG 3.99Å; P160-E450 HydrophobicContact CG-CB 3.92Å; P160-E450 HydrophobicContact CG-CG 4.28Å; Y189-E450 HydrophobicContact CE1-CG 4.34Å; Y189-E450 VanDerWaalsContact CE1-OE2 3.24Å; Y189-E450 WeakPolarHBondContact CE1-OE2 3.46Å; Y189-E450 PolarHBondContact OH-OE2 3.37Å; V448-E450 HydrophobicContact CG2-CB 4.03Å; V448-E450 PolarHBondContact O-N 2.8Å; V448-E450 VanDerWaalsContact O-N 3.1Å
451	K	97.3	Very high	96.7	Very high	12 Å²	12	7.2 Å²	7.2	5%	0.052	5%	0.047	C	C	.	.			trans	-63.3	145.6	171.7	-49.1	167.2	-52.8	-55.4	0	110.4	D339 F415 F442	D339-K451 HydrophobicContact CB-CB 4.15Å; D339-K451 VanDerWaalsContact CG-NZ 3.27Å; D339-K451 WeakPolarHBondContact O-CB 3.36Å; D339-K451 WeakPolarHBondContact OD1-CE 3.42Å; D339-K451 IonicContact OD1-NZ 2.7Å; D339-K451 WeakPolarHBondContact OD2-CE 3.49Å; D339-K451 IonicContact OD2-NZ 2.64Å; D339-K451 PolarHBondContact OD2-NZ 2.65Å; F415-K451 HydrophobicContact CB-CD 4.31Å; F415-K451 HydrophobicContact CB-CG 4.06Å; F415-K451 HydrophobicContact CD1-CG 3.71Å; F415-K451 HydrophobicContact CD2-CD 3.61Å; F415-K451 HydrophobicContact CD2-CG 3.2Å; F415-K451 HydrophobicContact CE1-CG 3.84Å; F415-K451 HydrophobicContact CE2-CD 4.06Å; F415-K451 HydrophobicContact CE2-CG 3.38Å; F415-K451 HydrophobicContact CG-CD 4Å; F415-K451 HydrophobicContact CG-CG 3.38Å; F415-K451 HydrophobicContact CZ-CB 4.5Å; F415-K451 HydrophobicContact CZ-CG 3.69Å; F442-K451 CarbonylContact O-C 3.56Å; F442-K451 WeakPolarHBondContact O-CA 3.32Å
452	D	98.3	Very high	96.8	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.011	5%	0.047	C	C	.	.			trans	-144.9	95.4	-175.6	-177.5	-1.1	0	0	0	110.8	P157 Y242 F442 V448 V454 S455 A456	P157-D452 HydrophobicContact CB-CB 4.17Å; P157-D452 HydrophobicContact CG-CB 4.13Å; Y242-D452 VanDerWaalsContact OH-CG 3.23Å; Y242-D452 PolarHBondContact OH-OD1 3.36Å; Y242-D452 VanDerWaalsContact OH-OD1 3.11Å; Y242-D452 PolarHBondContact OH-OD2 3.46Å; F442-D452 PolarHBondContact O-N 2.93Å; V448-D452 HydrophobicContact CG1-CB 4.19Å; D452-V454 PolarHBondContact O-N 3.5Å; D452-V454 WeakPolarHBondContact OD1-CA 3.38Å; D452-V454 WeakPolarHBondContact OD1-CB 3.41Å; D452-V454 PolarHBondContact OD1-N 3.22Å; D452-S455 WeakPolarHBondContact CB-OG 3.29Å; D452-S455 PolarHBondContact O-OG 3.1Å; D452-S455 PolarHBondContact OD1-N 2.97Å; D452-S455 VanDerWaalsContact OD2-CB 3.24Å; D452-S455 WeakPolarHBondContact OD2-CB 3.2Å; D452-S455 PolarHBondContact OD2-OG 2.66Å; D452-A456 VanDerWaalsContact O-CB 3.26Å; D452-A456 WeakPolarHBondContact O-CB 3.18Å; D452-A456 PolarHBondContact O-N 3.27Å; D452-A456 VanDerWaalsContact O-N 3.09Å
453	G	98.2	Very high	96.8	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-68.4	-22.1	176.5	0	0	0	0	0	113.1	A338 A457	A338-G453 WeakPolarHBondContact O-CA 3.34Å; A338-G453 PolarHBondContact O-N 3.24Å; G453-A457 WeakPolarHBondContact O-CB 3.35Å; G453-A457 PolarHBondContact O-N 3.3Å
454	V	98.5	Very high	96.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-73.9	-49.8	179.6	179.2	0	0	0	0	110.5	P155 Y242 F275 V276 A279 A338 D452 A457	P155-V454 HydrophobicContact CB-CG2 4.37Å; P155-V454 HydrophobicContact CG-CG2 4.06Å; Y242-V454 HydrophobicContact CE1-CG1 4.32Å; F275-V454 HydrophobicContact CB-CG1 3.93Å; F275-V454 HydrophobicContact CB-CG2 3.95Å; V276-V454 HydrophobicContact CG2-CB 4.5Å; V276-V454 HydrophobicContact CG2-CG1 4.34Å; V276-V454 HydrophobicContact CG2-CG2 4.31Å; A279-V454 HydrophobicContact CB-CG1 3.95Å; A338-V454 HydrophobicContact CB-CG2 4.07Å; D452-V454 PolarHBondContact O-N 3.5Å; D452-V454 WeakPolarHBondContact OD1-CA 3.38Å; D452-V454 WeakPolarHBondContact OD1-CB 3.41Å; D452-V454 PolarHBondContact OD1-N 3.22Å; V454-A457 PolarHBondContact O-N 2.95Å
455	S	98.4	Very high	96.9	Very high	3 Å²	3	7 Å²	7	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-68.7	-42	175.7	62.1	0	0	0	0	111.8	L246 D452 A457 V458 V459	L246-S455 VanDerWaalsContact CD1-CB 3.4Å; D452-S455 WeakPolarHBondContact CB-OG 3.29Å; D452-S455 PolarHBondContact O-OG 3.1Å; D452-S455 PolarHBondContact OD1-N 2.97Å; D452-S455 VanDerWaalsContact OD2-CB 3.24Å; D452-S455 WeakPolarHBondContact OD2-CB 3.2Å; D452-S455 PolarHBondContact OD2-OG 2.66Å; S455-A457 VanDerWaalsContact C-N 3.28Å; S455-A457 PolarHBondContact O-N 3.39Å; S455-V458 WeakPolarHBondContact O-CG1 3.21Å; S455-V458 PolarHBondContact O-N 3.27Å; S455-V459 WeakPolarHBondContact O-CB 3.25Å; S455-V459 VanDerWaalsContact O-CG2 3.27Å; S455-V459 WeakPolarHBondContact O-CG2 3.46Å; S455-V459 PolarHBondContact O-N 2.93Å
456	A	98.6	Very high	97.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.8	-39.8	176	0	0	0	0	0	112.3	L341 F442 D452 V458 V459 V460	L341-A456 HydrophobicContact CB-CB 4.43Å; L341-A456 HydrophobicContact CD2-CB 3.74Å; F442-A456 HydrophobicContact CB-CB 4.16Å; F442-A456 HydrophobicContact CD2-CB 4.44Å; D452-A456 VanDerWaalsContact O-CB 3.26Å; D452-A456 WeakPolarHBondContact O-CB 3.18Å; D452-A456 PolarHBondContact O-N 3.27Å; D452-A456 VanDerWaalsContact O-N 3.09Å; A456-V458 PolarHBondContact O-N 3.12Å; A456-V459 PolarHBondContact O-N 3.12Å; A456-V460 VanDerWaalsContact O-CG2 3.31Å; A456-V460 WeakPolarHBondContact O-CG2 3.39Å; A456-V460 PolarHBondContact O-N 2.65Å
457	A	98.8	Very high	97.6	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-60.5	-44.1	-179.1	0	0	0	0	0	112.5	V276 L332 L341 G453 V454 S455 A461	V276-A457 HydrophobicContact CG1-CB 4.28Å; V276-A457 HydrophobicContact CG2-CB 4.27Å; L332-A457 HydrophobicContact CD1-CB 4.22Å; L332-A457 WeakPolarHBondContact CD1-O 3.39Å; L341-A457 HydrophobicContact CD1-CB 4.01Å; L341-A457 HydrophobicContact CD2-CB 4.36Å; G453-A457 WeakPolarHBondContact O-CB 3.35Å; G453-A457 PolarHBondContact O-N 3.3Å; V454-A457 PolarHBondContact O-N 2.95Å; S455-A457 VanDerWaalsContact C-N 3.28Å; S455-A457 PolarHBondContact O-N 3.39Å; A457-A461 PolarHBondContact O-N 3.04Å
458	V	98.8	Very high	97.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-79.2	-31	-179.6	74.5	0	0	0	0	112.6	L246 A279 F280 F283 F285 S455 A456 V460 A461 E462	L246-V458 HydrophobicContact CD2-CG1 4.45Å; A279-V458 HydrophobicContact CB-CB 4.11Å; A279-V458 HydrophobicContact CB-CG1 3.98Å; F280-V458 HydrophobicContact CD2-CB 4.08Å; F280-V458 HydrophobicContact CD2-CG2 3.91Å; F280-V458 HydrophobicContact CE2-CB 4.22Å; F280-V458 HydrophobicContact CE2-CG2 4.29Å; F280-V458 HydrophobicContact CG-CG2 4.29Å; F283-V458 HydrophobicContact CB-CG2 3.57Å; F283-V458 HydrophobicContact CD1-CG1 4.32Å; F283-V458 HydrophobicContact CD1-CG2 3.67Å; F283-V458 HydrophobicContact CD2-CB 4.41Å; F283-V458 HydrophobicContact CD2-CG1 3.77Å; F283-V458 HydrophobicContact CD2-CG2 3.74Å; F283-V458 HydrophobicContact CE1-CG1 4.1Å; F283-V458 HydrophobicContact CE1-CG2 4.24Å; F283-V458 HydrophobicContact CE2-CG1 3.56Å; F283-V458 HydrophobicContact CE2-CG2 4.34Å; F283-V458 HydrophobicContact CG-CB 4.38Å; F283-V458 HydrophobicContact CG-CG1 4.16Å; F283-V458 HydrophobicContact CG-CG2 3.37Å; F283-V458 HydrophobicContact CZ-CG1 3.71Å; F285-V458 HydrophobicContact CD2-CG2 4.25Å; S455-V458 WeakPolarHBondContact O-CG1 3.21Å; S455-V458 PolarHBondContact O-N 3.27Å; A456-V458 PolarHBondContact O-N 3.12Å; V458-V460 VanDerWaalsContact C-N 3.34Å; V458-A461 WeakPolarHBondContact O-CB 3.39Å; V458-A461 PolarHBondContact O-N 2.86Å; V458-A461 VanDerWaalsContact O-N 3.14Å; V458-E462 PolarHBondContact O-N 2.95Å
459	V	98.8	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.1	-39.2	172.1	172.1	0	0	0	0	111.1	L249 F283 L364 W367 M368 C444 S455 A456 A461 E462 M463	L249-V459 HydrophobicContact CB-CG2 4.17Å; L249-V459 HydrophobicContact CD1-CG2 4.34Å; F283-V459 HydrophobicContact CE1-CG2 4.43Å; F283-V459 HydrophobicContact CZ-CG2 4.14Å; L364-V459 HydrophobicContact CD2-CB 4.41Å; L364-V459 HydrophobicContact CD2-CG1 3.7Å; W367-V459 VanDerWaalsContact CD1-CG1 3.43Å; M368-V459 HydrophobicContact SD-CG1 4.18Å; C444-V459 HydrophobicContact CB-CG2 4.25Å; S455-V459 WeakPolarHBondContact O-CB 3.25Å; S455-V459 VanDerWaalsContact O-CG2 3.27Å; S455-V459 WeakPolarHBondContact O-CG2 3.46Å; S455-V459 PolarHBondContact O-N 2.93Å; A456-V459 PolarHBondContact O-N 3.12Å; V459-A461 VanDerWaalsContact C-N 3.33Å; V459-E462 PolarHBondContact O-N 3.41Å; V459-M463 WeakPolarHBondContact O-CB 3.37Å; V459-M463 PolarHBondContact O-N 3.3Å
460	V	98.9	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-39.1	171	171.4	0	0	0	0	111.6	L332 L341 V343 L360 L364 A456 V458 M463 A464 L474	L332-V460 HydrophobicContact CD2-CB 4.26Å; L332-V460 HydrophobicContact CD2-CG1 3.87Å; L341-V460 HydrophobicContact CD2-CG2 4.09Å; V343-V460 HydrophobicContact CG1-CG1 4.04Å; V343-V460 HydrophobicContact CG2-CG1 4.08Å; V343-V460 HydrophobicContact CG2-CG2 4.18Å; L360-V460 HydrophobicContact CD1-CG2 3.97Å; L364-V460 HydrophobicContact CD2-CG2 3.87Å; L364-V460 HydrophobicContact CG-CG2 4.39Å; A456-V460 VanDerWaalsContact O-CG2 3.31Å; A456-V460 WeakPolarHBondContact O-CG2 3.39Å; A456-V460 PolarHBondContact O-N 2.65Å; V458-V460 VanDerWaalsContact C-N 3.34Å; V460-M463 HydrophobicContact CG2-CE 4.2Å; V460-A464 WeakPolarHBondContact O-CB 3.27Å; V460-A464 PolarHBondContact O-N 3.42Å; V460-L474 HydrophobicContact CG1-CD1 4.24Å
461	A	98.8	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-43	178	0	0	0	0	0	112.5	F263 F280 F285 A457 V458 V459 A464 A465	F263-A461 HydrophobicContact CD1-CB 4.19Å; F263-A461 HydrophobicContact CE1-CB 3.69Å; F263-A461 HydrophobicContact CE2-CB 4.23Å; F263-A461 HydrophobicContact CZ-CB 3.7Å; F280-A461 HydrophobicContact CE1-CB 3.84Å; F280-A461 HydrophobicContact CE2-CB 4.25Å; F280-A461 HydrophobicContact CZ-CB 3.53Å; F285-A461 HydrophobicContact CD2-CB 4.35Å; F285-A461 HydrophobicContact CE2-CB 3.88Å; F285-A461 HydrophobicContact CZ-CB 4.17Å; F285-A461 WeakPolarHBondContact CZ-O 3.47Å; A457-A461 PolarHBondContact O-N 3.04Å; V458-A461 WeakPolarHBondContact O-CB 3.39Å; V458-A461 PolarHBondContact O-N 2.86Å; V458-A461 VanDerWaalsContact O-N 3.14Å; V459-A461 VanDerWaalsContact C-N 3.33Å; A461-A464 PolarHBondContact O-N 3.03Å; A461-A465 WeakPolarHBondContact O-CB 3.27Å; A461-A465 PolarHBondContact O-N 3.42Å
462	E	98.8	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-48.2	174	-174.4	170.4	83.7	0	0	112	C250 F251 H252 N256 F283 F285 W367 V458 V459 A464 A465 Y466	C250-E462 PolarHBondContact SG-OE2 3.41Å; F251-E462 WeakPolarHBondContact CD2-OE1 3.33Å; F251-E462 VanDerWaalsContact N-CD 3.34Å; F251-E462 PolarHBondContact N-OE1 2.86Å; F251-E462 PolarHBondContact N-OE2 2.89Å; F251-E462 VanDerWaalsContact N-OE2 3.08Å; H252-E462 HydrophobicContact CB-CG 4.24Å; H252-E462 PolarHBondContact N-OE2 3.48Å; N256-E462 PolarHBondContact ND2-OE2 3.47Å; N256-E462 WeakPolarHBondContact OD1-CG 3.38Å; F283-E462 HydrophobicContact CD1-CB 3.95Å; F283-E462 HydrophobicContact CD1-CG 4.47Å; F283-E462 HydrophobicContact CE1-CB 4.03Å; F285-E462 HydrophobicContact CE2-CB 4.26Å; W367-E462 HydrophobicContact CZ2-CB 4.45Å; W367-E462 HydrophobicContact CZ2-CG 3.77Å; V458-E462 PolarHBondContact O-N 2.95Å; V459-E462 PolarHBondContact O-N 3.41Å; E462-A464 VanDerWaalsContact C-N 3.29Å; E462-A464 PolarHBondContact O-N 2.79Å; E462-A465 PolarHBondContact O-N 3.08Å; E462-Y466 WeakPolarHBondContact O-CB 3.27Å; E462-Y466 PolarHBondContact O-N 2.92Å
463	M	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.8	-44.3	175.2	174.1	175.4	44.2	0	0	111.8	L363 L364 W366 W367 V459 V460 Y466 L467 L474	L363-M463 HydrophobicContact CB-CE 3.95Å; L363-M463 HydrophobicContact CB-SD 3.93Å; L363-M463 HydrophobicContact CD2-SD 4.29Å; L364-M463 HydrophobicContact CD2-CE 4.21Å; W366-M463 HydrophobicContact CE3-SD 4.22Å; W366-M463 HydrophobicContact CZ3-CG 4.19Å; W366-M463 HydrophobicContact CZ3-SD 4.16Å; W367-M463 HydrophobicContact CB-CG 4.4Å; W367-M463 HydrophobicContact CB-SD 3.83Å; W367-M463 HydrophobicContact CD2-CB 3.7Å; W367-M463 HydrophobicContact CD2-CG 4.04Å; W367-M463 HydrophobicContact CE3-CB 3.99Å; W367-M463 HydrophobicContact CE3-CG 3.95Å; W367-M463 HydrophobicContact CG-CB 3.97Å; W367-M463 HydrophobicContact CG-CG 4.26Å; W367-M463 HydrophobicContact CG-SD 4.26Å; V459-M463 WeakPolarHBondContact O-CB 3.37Å; V459-M463 PolarHBondContact O-N 3.3Å; V460-M463 HydrophobicContact CG2-CE 4.2Å; M463-Y466 PolarHBondContact O-N 2.66Å; M463-L467 HydrophobicContact CG-CD1 3.93Å; M463-L467 WeakPolarHBondContact O-CB 3.37Å; M463-L467 VanDerWaalsContact O-CG 3.23Å; M463-L467 WeakPolarHBondContact O-CG 3.23Å; M463-L467 PolarHBondContact O-N 3.33Å; M463-L474 HydrophobicContact CE-CD2 3.78Å; M463-L474 HydrophobicContact CG-CD2 3.97Å; M463-L474 HydrophobicContact SD-CD2 4.06Å
464	A	98.6	Very high	97.9	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-42.5	178.8	0	0	0	0	0	112.9	L261 F263 I330 V460 A461 E462 Y466 L467 Q468 L474	L261-A464 HydrophobicContact CD1-CB 3.99Å; F263-A464 HydrophobicContact CE1-CB 4.27Å; F263-A464 HydrophobicContact CZ-CB 4.45Å; I330-A464 HydrophobicContact CD1-CB 3.22Å; V460-A464 WeakPolarHBondContact O-CB 3.27Å; V460-A464 PolarHBondContact O-N 3.42Å; A461-A464 PolarHBondContact O-N 3.03Å; E462-A464 VanDerWaalsContact C-N 3.29Å; E462-A464 PolarHBondContact O-N 2.79Å; A464-Y466 VanDerWaalsContact C-N 3.34Å; A464-L467 PolarHBondContact O-N 2.95Å; A464-Q468 PolarHBondContact O-N 2.95Å; A464-L474 HydrophobicContact CB-CD1 4.4Å; A464-L474 HydrophobicContact CB-CD2 4.35Å; A464-L474 HydrophobicContact CB-CG 4.36Å
465	A	98.4	Very high	97.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-45.8	175.1	0	0	0	0	0	110.9	L255 C259 F285 A461 E462 L467 Q468 T469	L255-A465 HydrophobicContact CD2-CB 3.6Å; C259-A465 HydrophobicContact CB-CB 4.08Å; C259-A465 WeakPolarHBondContact SG-CB 3.49Å; F285-A465 HydrophobicContact CE1-CB 3.89Å; F285-A465 HydrophobicContact CZ-CB 3.8Å; A461-A465 WeakPolarHBondContact O-CB 3.27Å; A461-A465 PolarHBondContact O-N 3.42Å; E462-A465 PolarHBondContact O-N 3.08Å; A465-L467 PolarHBondContact O-N 3.07Å; A465-Q468 VanDerWaalsContact O-CB 3.32Å; A465-Q468 WeakPolarHBondContact O-CB 3.35Å; A465-Q468 PolarHBondContact O-N 3.46Å; A465-T469 PolarHBondContact O-N 2.91Å
466	Y	98.3	Very high	97.7	Very high	17 Å²	17	33.4 Å²	33.4	7%	0.067	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-48.4	175.8	-178.9	-93.2	0	0	0	112.1	H252 L255 W367 F370 E462 M463 A464 Q468 T469 R470	H252-Y466 AromaticContact CD2-CD2 3.96Å; H252-Y466 AromaticContact CE1-CD2 3.81Å; H252-Y466 AromaticContact CE1-CE2 3.56Å; H252-Y466 AromaticContact CG-CD2 3.95Å; H252-Y466 AromaticContact ND1-CD2 3.82Å; H252-Y466 AromaticContact ND1-CE2 3.91Å; H252-Y466 AromaticContact NE2-CD2 3.88Å; H252-Y466 AromaticContact NE2-CE2 3.86Å; L255-Y466 HydrophobicContact CD1-CD2 4.12Å; W367-Y466 HydrophobicContact CH2-CD1 4.02Å; W367-Y466 AromaticContact CH2-CD2 3.99Å; W367-Y466 HydrophobicContact CH2-CD2 3.99Å; W367-Y466 AromaticContact CH2-CG 3.63Å; W367-Y466 HydrophobicContact CH2-CG 3.63Å; W367-Y466 AromaticContact CZ3-CD1 3.53Å; W367-Y466 HydrophobicContact CZ3-CD1 3.53Å; W367-Y466 HydrophobicContact CZ3-CD2 4.3Å; W367-Y466 HydrophobicContact CZ3-CE1 4.04Å; W367-Y466 AromaticContact CZ3-CG 3.66Å; W367-Y466 HydrophobicContact CZ3-CG 3.66Å; F370-Y466 HydrophobicContact CE1-CE1 4.14Å; F370-Y466 HydrophobicContact CE1-CE2 4.45Å; F370-Y466 AromaticContact CE1-CZ 3.73Å; F370-Y466 VanDerWaalsContact CE1-OH 3.29Å; F370-Y466 WeakPolarHBondContact CE1-OH 3.31Å; F370-Y466 HydrophobicContact CZ-CE1 4.46Å; F370-Y466 AromaticContact CZ-CZ 3.98Å; F370-Y466 WeakPolarHBondContact CZ-OH 3.22Å; E462-Y466 WeakPolarHBondContact O-CB 3.27Å; E462-Y466 PolarHBondContact O-N 2.92Å; M463-Y466 PolarHBondContact O-N 2.66Å; A464-Y466 VanDerWaalsContact C-N 3.34Å; Y466-Q468 VanDerWaalsContact C-N 3.3Å; Y466-Q468 PolarHBondContact O-N 3.23Å; Y466-T469 PolarHBondContact O-N 3.36Å; Y466-T469 VanDerWaalsContact O-N 3.15Å; Y466-T469 PolarHBondContact O-OG1 2.87Å; Y466-R470 PolarHBondContact OH-NE 2.92Å; Y466-R470 PolarHBondContact OH-NH2 2.88Å
467	L	97.9	Very high	97.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-32.6	177.8	-70.2	170.1	0	0	0	112.6	W366 M463 A464 A465 T469 R470 K471 L472 L474 Q477	W366-L467 HydrophobicContact CH2-CD2 4.1Å; W366-L467 HydrophobicContact CZ3-CD2 4.4Å; M463-L467 HydrophobicContact CG-CD1 3.93Å; M463-L467 WeakPolarHBondContact O-CB 3.37Å; M463-L467 VanDerWaalsContact O-CG 3.23Å; M463-L467 WeakPolarHBondContact O-CG 3.23Å; M463-L467 PolarHBondContact O-N 3.33Å; A464-L467 PolarHBondContact O-N 2.95Å; A465-L467 PolarHBondContact O-N 3.07Å; L467-T469 VanDerWaalsContact C-N 3.29Å; L467-T469 PolarHBondContact O-N 3.01Å; L467-R470 CarbonylContact O-C 3.57Å; L467-R470 WeakPolarHBondContact O-CA 3.36Å; L467-R470 WeakPolarHBondContact O-CB 3.48Å; L467-R470 PolarHBondContact O-N 2.94Å; L467-K471 PolarHBondContact O-N 3.22Å; L467-L472 CarbonylContact C-O 3.56Å; L467-L472 HydrophobicContact CB-CB 4.19Å; L467-L472 WeakPolarHBondContact CB-O 3.43Å; L467-L472 HydrophobicContact CD2-CB 4.1Å; L467-L472 HydrophobicContact CD2-CD1 4.13Å; L467-L472 PolarHBondContact O-N 3.05Å; L467-L474 HydrophobicContact CD1-CD2 3.93Å; L467-Q477 HydrophobicContact CD1-CB 3.66Å; L467-Q477 HydrophobicContact CD1-CG 3.95Å; L467-Q477 HydrophobicContact CD2-CB 3.89Å; L467-Q477 HydrophobicContact CD2-CG 3.82Å; L467-Q477 HydrophobicContact CG-CB 4.45Å
468	Q	95.8	Very high	97.6	Very high	75 Å²	75	34.3 Å²	34.3	35%	0.35	16%	0.161	S	C	.	.	H	α-helix	trans	-57.7	-40.7	173.3	-164.1	-166.9	24.5	0	0	111.7	T260 L261 A464 A465 Y466 R470 K471	T260-Q468 PolarHBondContact OG1-NE2 3.28Å; L261-Q468 HydrophobicContact CD1-CB 4.28Å; L261-Q468 HydrophobicContact CD2-CG 4.24Å; L261-Q468 HydrophobicContact CG-CG 4.42Å; A464-Q468 PolarHBondContact O-N 2.95Å; A465-Q468 VanDerWaalsContact O-CB 3.32Å; A465-Q468 WeakPolarHBondContact O-CB 3.35Å; A465-Q468 PolarHBondContact O-N 3.46Å; Y466-Q468 VanDerWaalsContact C-N 3.3Å; Y466-Q468 PolarHBondContact O-N 3.23Å; Q468-R470 PolarHBondContact O-N 3.03Å; Q468-K471 PolarHBondContact O-N 3.49Å
469	T	96.4	Very high	97.5	Very high	87 Å²	87	36.8 Å²	36.8	53%	0.534	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-29.1	176.6	73.9	0	0	0	0	112.7	L255 A465 Y466 L467 K471	L255-T469 HydrophobicContact CD1-CG2 3.66Å; L255-T469 HydrophobicContact CD2-CG2 4.17Å; L255-T469 HydrophobicContact CG-CG2 3.91Å; A465-T469 PolarHBondContact O-N 2.91Å; Y466-T469 PolarHBondContact O-N 3.36Å; Y466-T469 VanDerWaalsContact O-N 3.15Å; Y466-T469 PolarHBondContact O-OG1 2.87Å; L467-T469 VanDerWaalsContact C-N 3.29Å; L467-T469 PolarHBondContact O-N 3.01Å; T469-K471 VanDerWaalsContact C-N 3.32Å
470	R	96.2	Very high	97.4	Very high	142 Å²	142	38.7 Å²	38.7	54%	0.536	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.6	173.8	-64	-178.7	171.3	-117.7	0.4	113.5	Y466 L467 Q468 L472	Y466-R470 PolarHBondContact OH-NE 2.92Å; Y466-R470 PolarHBondContact OH-NH2 2.88Å; L467-R470 CarbonylContact O-C 3.57Å; L467-R470 WeakPolarHBondContact O-CA 3.36Å; L467-R470 WeakPolarHBondContact O-CB 3.48Å; L467-R470 PolarHBondContact O-N 2.94Å; Q468-R470 PolarHBondContact O-N 3.03Å; R470-L472 VanDerWaalsContact C-N 3.26Å; R470-L472 HydrophobicContact CB-CD1 4.25Å; R470-L472 HydrophobicContact CB-CG 4.41Å; R470-L472 PolarHBondContact O-N 3.16Å
471	K	95.9	Very high	97.4	Very high	190 Å²	190	38.8 Å²	38.8	83%	0.826	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	36.2	-174.6	-53.2	179.5	-176.9	177.6	0	113.4	L467 Q468 T469	L467-K471 PolarHBondContact O-N 3.22Å; Q468-K471 PolarHBondContact O-N 3.49Å; T469-K471 VanDerWaalsContact C-N 3.32Å
472	L	96.3	Very high	97.3	Very high	52 Å²	52	39.5 Å²	39.5	27%	0.272	19%	0.187	S	C	.	.			trans	-114.1	144.9	177.1	-68.2	172.3	0	0	0	110.9	L467 R470 Q476	L467-L472 CarbonylContact C-O 3.56Å; L467-L472 HydrophobicContact CB-CB 4.19Å; L467-L472 WeakPolarHBondContact CB-O 3.43Å; L467-L472 HydrophobicContact CD2-CB 4.1Å; L467-L472 HydrophobicContact CD2-CD1 4.13Å; L467-L472 PolarHBondContact O-N 3.05Å; R470-L472 VanDerWaalsContact C-N 3.26Å; R470-L472 HydrophobicContact CB-CD1 4.25Å; R470-L472 HydrophobicContact CB-CG 4.41Å; R470-L472 PolarHBondContact O-N 3.16Å; L472-Q476 HydrophobicContact CD2-CB 4.07Å
473	S	96.9	Very high	97.1	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.049	21%	0.211	C	C	.	.			trans	-87	163.8	165.3	66.6	0	0	0	0	111.6	E345 N475 Q476 Q477	E345-S473 WeakPolarHBondContact OE1-CA 3.14Å; E345-S473 WeakPolarHBondContact OE1-CB 3.35Å; E345-S473 WeakPolarHBondContact OE2-CB 3.44Å; S473-N475 VanDerWaalsContact C-N 3.28Å; S473-N475 PolarHBondContact O-N 3.5Å; S473-Q476 PolarHBondContact O-N 3.14Å; S473-Q476 VanDerWaalsContact OG-CB 3.28Å; S473-Q476 WeakPolarHBondContact OG-CB 3.34Å; S473-Q476 VanDerWaalsContact OG-CD 3.29Å; S473-Q476 WeakPolarHBondContact OG-CG 3.1Å; S473-Q476 PolarHBondContact OG-N 3.33Å; S473-Q476 PolarHBondContact OG-OE1 3.32Å; S473-Q477 PolarHBondContact O-N 3.31Å
474	L	97.9	Very high	97	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-43.3	171.9	-70.1	169.3	0	0	0	110.2	I330 V343 E345 F355 L363 V460 M463 A464 L467 Q477 L478	I330-L474 HydrophobicContact CD1-CD1 3.81Å; I330-L474 HydrophobicContact CG1-CD1 4.36Å; V343-L474 HydrophobicContact CG1-CD1 4.34Å; E345-L474 PolarHBondContact OE1-N 2.99Å; E345-L474 VanDerWaalsContact OE1-N 3.12Å; E345-L474 WeakPolarHBondContact OE2-CA 3.37Å; E345-L474 WeakPolarHBondContact OE2-CB 3.39Å; E345-L474 PolarHBondContact OE2-N 2.94Å; F355-L474 HydrophobicContact CE2-CB 4.17Å; F355-L474 HydrophobicContact CE2-CD1 4.4Å; F355-L474 HydrophobicContact CZ-CB 3.71Å; L363-L474 HydrophobicContact CD1-CB 4.18Å; L363-L474 HydrophobicContact CD1-CD2 4.46Å; L363-L474 WeakPolarHBondContact CD2-O 3.47Å; V460-L474 HydrophobicContact CG1-CD1 4.24Å; M463-L474 HydrophobicContact CE-CD2 3.78Å; M463-L474 HydrophobicContact CG-CD2 3.97Å; M463-L474 HydrophobicContact SD-CD2 4.06Å; A464-L474 HydrophobicContact CB-CD1 4.4Å; A464-L474 HydrophobicContact CB-CD2 4.35Å; A464-L474 HydrophobicContact CB-CG 4.36Å; L467-L474 HydrophobicContact CD1-CD2 3.93Å; L474-Q477 PolarHBondContact O-N 3.25Å; L474-L478 PolarHBondContact O-N 3.48Å
475	N	96.4	Very high	96.9	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-42.3	176.9	-175.2	36.8	0	0	0	112.5	E345 K353 F355 S473 Q477 L478 Q479	E345-N475 PolarHBondContact OE2-N 2.99Å; K353-N475 HydrophobicContact CG-CB 4.49Å; F355-N475 HydrophobicContact CE1-CB 4.33Å; F355-N475 HydrophobicContact CZ-CB 4.15Å; S473-N475 VanDerWaalsContact C-N 3.28Å; S473-N475 PolarHBondContact O-N 3.5Å; N475-Q477 VanDerWaalsContact C-N 3.3Å; N475-Q477 PolarHBondContact O-N 3.17Å; N475-L478 WeakPolarHBondContact O-CB 3.13Å; N475-L478 PolarHBondContact O-N 3.49Å; N475-Q479 WeakPolarHBondContact O-CG 3.27Å; N475-Q479 PolarHBondContact O-N 3.16Å
476	Q	96.4	Very high	96.8	Very high	82 Å²	82	50.4 Å²	50.4	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-37.5	175.3	-76.8	163.5	-16.8	0	0	111.9	L472 S473 Q479 N480	L472-Q476 HydrophobicContact CD2-CB 4.07Å; S473-Q476 PolarHBondContact O-N 3.14Å; S473-Q476 VanDerWaalsContact OG-CB 3.28Å; S473-Q476 WeakPolarHBondContact OG-CB 3.34Å; S473-Q476 VanDerWaalsContact OG-CD 3.29Å; S473-Q476 WeakPolarHBondContact OG-CG 3.1Å; S473-Q476 PolarHBondContact OG-N 3.33Å; S473-Q476 PolarHBondContact OG-OE1 3.32Å; Q476-Q479 PolarHBondContact O-N 3.41Å; Q476-N480 VanDerWaalsContact O-CG 3.24Å; Q476-N480 PolarHBondContact O-N 2.99Å; Q476-N480 PolarHBondContact O-ND2 2.95Å; Q476-N480 PolarHBondContact O-OD1 3.48Å
477	Q	98.3	Very high	96.8	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-36.6	175.3	-177	55.7	17.8	0	0	112.3	L363 W366 L467 S473 L474 N475 Q479 N480 I481	L363-Q477 HydrophobicContact CD2-CB 4.11Å; L363-Q477 HydrophobicContact CD2-CG 4.07Å; W366-Q477 HydrophobicContact CD2-CG 4.46Å; W366-Q477 HydrophobicContact CE3-CG 3.99Å; W366-Q477 HydrophobicContact CH2-CG 4.1Å; W366-Q477 VanDerWaalsContact CZ2-NE2 3.25Å; W366-Q477 HydrophobicContact CZ3-CG 3.78Å; L467-Q477 HydrophobicContact CD1-CB 3.66Å; L467-Q477 HydrophobicContact CD1-CG 3.95Å; L467-Q477 HydrophobicContact CD2-CB 3.89Å; L467-Q477 HydrophobicContact CD2-CG 3.82Å; L467-Q477 HydrophobicContact CG-CB 4.45Å; S473-Q477 PolarHBondContact O-N 3.31Å; L474-Q477 PolarHBondContact O-N 3.25Å; N475-Q477 VanDerWaalsContact C-N 3.3Å; N475-Q477 PolarHBondContact O-N 3.17Å; Q477-Q479 VanDerWaalsContact C-N 3.3Å; Q477-Q479 PolarHBondContact O-N 2.95Å; Q477-N480 WeakPolarHBondContact O-CB 3.48Å; Q477-N480 PolarHBondContact O-N 3.18Å; Q477-N480 VanDerWaalsContact O-N 3.1Å; Q477-N480 PolarHBondContact OE1-ND2 3.25Å; Q477-I481 HydrophobicContact CG-CD1 4.26Å; Q477-I481 VanDerWaalsContact O-CG1 3.31Å; Q477-I481 WeakPolarHBondContact O-CG1 3.32Å; Q477-I481 PolarHBondContact O-N 2.58Å
478	L	97.7	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-41.8	170.5	-180	65.8	0	0	0	111.5	F355 E359 A362 L363 L474 N475 N480 I481 Y482	F355-L478 HydrophobicContact CD1-CD2 4.12Å; F355-L478 HydrophobicContact CE1-CD2 4.04Å; E359-L478 HydrophobicContact CB-CD1 4.35Å; E359-L478 HydrophobicContact CB-CD2 3.8Å; E359-L478 HydrophobicContact CG-CD2 3.87Å; A362-L478 HydrophobicContact CB-CD1 3.81Å; L363-L478 HydrophobicContact CD1-CB 4.39Å; L363-L478 HydrophobicContact CD2-CB 4.2Å; L363-L478 HydrophobicContact CG-CB 4.27Å; L363-L478 HydrophobicContact CG-CD1 4.37Å; L474-L478 PolarHBondContact O-N 3.48Å; N475-L478 WeakPolarHBondContact O-CB 3.13Å; N475-L478 PolarHBondContact O-N 3.49Å; L478-N480 VanDerWaalsContact C-N 3.34Å; L478-N480 PolarHBondContact O-N 2.92Å; L478-I481 WeakPolarHBondContact O-CB 3.46Å; L478-I481 PolarHBondContact O-N 3.14Å; L478-Y482 HydrophobicContact CD1-CD2 4.4Å; L478-Y482 HydrophobicContact CD1-CE1 4.13Å; L478-Y482 HydrophobicContact CD1-CE2 3.78Å; L478-Y482 HydrophobicContact CD2-CE2 4.1Å; L478-Y482 HydrophobicContact CG-CD2 4.14Å; L478-Y482 HydrophobicContact CG-CE2 3.65Å; L478-Y482 PolarHBondContact O-N 3.4Å
479	Q	95.6	Very high	96.7	Very high	52 Å²	52	48.5 Å²	48.5	24%	0.243	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-32.4	173.6	-59	-52.2	-46.7	0	0	112.9	N475 Q476 Q477 R483 Y487	N475-Q479 WeakPolarHBondContact O-CG 3.27Å; N475-Q479 PolarHBondContact O-N 3.16Å; Q476-Q479 PolarHBondContact O-N 3.41Å; Q477-Q479 VanDerWaalsContact C-N 3.3Å; Q477-Q479 PolarHBondContact O-N 2.95Å; Q479-R483 WeakPolarHBondContact O-CB 3.36Å; Q479-R483 WeakPolarHBondContact O-CG 3.47Å; Q479-R483 PolarHBondContact O-N 2.76Å; Q479-Y487 PolarHBondContact OE1-OH 2.77Å
480	N	96.9	Very high	96.7	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-44.2	172.7	-63.7	-24	0	0	0	111	Q476 Q477 L478 R483 T484	Q476-N480 VanDerWaalsContact O-CG 3.24Å; Q476-N480 PolarHBondContact O-N 2.99Å; Q476-N480 PolarHBondContact O-ND2 2.95Å; Q476-N480 PolarHBondContact O-OD1 3.48Å; Q477-N480 WeakPolarHBondContact O-CB 3.48Å; Q477-N480 PolarHBondContact O-N 3.18Å; Q477-N480 VanDerWaalsContact O-N 3.1Å; Q477-N480 PolarHBondContact OE1-ND2 3.25Å; L478-N480 VanDerWaalsContact C-N 3.34Å; L478-N480 PolarHBondContact O-N 2.92Å; N480-R483 PolarHBondContact O-N 3.28Å; N480-R483 PolarHBondContact OD1-NH1 3.37Å; N480-T484 PolarHBondContact O-N 3.12Å; N480-T484 PolarHBondContact O-OG1 2.9Å
481	I	98.1	Very high	96.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-52.1	174.8	-71.2	165.6	0	0	0	109.9	A362 L363 W366 I396 F400 Q477 L478 R483 T484 Y485	A362-I481 HydrophobicContact CB-CG2 4.39Å; L363-I481 HydrophobicContact CD2-CD1 3.95Å; W366-I481 HydrophobicContact CB-CD1 3.53Å; W366-I481 HydrophobicContact CB-CG1 4.07Å; W366-I481 HydrophobicContact CD2-CD1 4.09Å; W366-I481 HydrophobicContact CD2-CG1 4.46Å; W366-I481 HydrophobicContact CE3-CD1 4.32Å; W366-I481 HydrophobicContact CG-CD1 3.72Å; W366-I481 HydrophobicContact CG-CG1 3.95Å; I396-I481 HydrophobicContact CD1-CG2 4.38Å; F400-I481 HydrophobicContact CE1-CG2 3.53Å; F400-I481 HydrophobicContact CZ-CG2 3.51Å; Q477-I481 HydrophobicContact CG-CD1 4.26Å; Q477-I481 VanDerWaalsContact O-CG1 3.31Å; Q477-I481 WeakPolarHBondContact O-CG1 3.32Å; Q477-I481 PolarHBondContact O-N 2.58Å; L478-I481 WeakPolarHBondContact O-CB 3.46Å; L478-I481 PolarHBondContact O-N 3.14Å; I481-R483 VanDerWaalsContact C-N 3.32Å; I481-R483 PolarHBondContact O-N 3.46Å; I481-T484 PolarHBondContact O-N 3.49Å; I481-Y485 HydrophobicContact CG2-CD2 3.9Å; I481-Y485 HydrophobicContact CG2-CE2 4.4Å; I481-Y485 VanDerWaalsContact O-CD2 3.23Å; I481-Y485 WeakPolarHBondContact O-CD2 3.33Å; I481-Y485 PolarHBondContact O-N 2.88Å
482	Y	97.1	Very high	96.4	Very high	15 Å²	15	37 Å²	37	6%	0.059	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-34.2	179.3	-67.7	-32.9	0	0	0	113.8	I396 L478 T484 G486 Y487 H488	I396-Y482 HydrophobicContact CD1-CD1 4.14Å; I396-Y482 HydrophobicContact CD1-CE1 4.08Å; L478-Y482 HydrophobicContact CD1-CD2 4.4Å; L478-Y482 HydrophobicContact CD1-CE1 4.13Å; L478-Y482 HydrophobicContact CD1-CE2 3.78Å; L478-Y482 HydrophobicContact CD2-CE2 4.1Å; L478-Y482 HydrophobicContact CG-CD2 4.14Å; L478-Y482 HydrophobicContact CG-CE2 3.65Å; L478-Y482 PolarHBondContact O-N 3.4Å; Y482-T484 VanDerWaalsContact C-N 3.31Å; Y482-T484 PolarHBondContact O-N 3.37Å; Y482-G486 WeakPolarHBondContact CA-O 3.47Å; Y482-G486 WeakPolarHBondContact CD1-O 3.3Å; Y482-G486 CarbonylContact O-C 3.56Å; Y482-G486 VanDerWaalsContact O-CA 3.25Å; Y482-G486 WeakPolarHBondContact O-CA 3.4Å; Y482-G486 PolarHBondContact O-N 2.99Å; Y482-Y487 AromaticContact CD2-CD1 3.66Å; Y482-Y487 HydrophobicContact CD2-CD1 3.66Å; Y482-Y487 AromaticContact CD2-CE1 3.81Å; Y482-Y487 HydrophobicContact CD2-CE1 3.81Å; Y482-Y487 AromaticContact CG-CD1 3.8Å; Y482-Y487 HydrophobicContact CG-CD1 3.8Å; Y482-Y487 HydrophobicContact CG-CE1 4.11Å; Y482-Y487 HydrophobicContact CG-CG 4.24Å; Y482-H488 HydrophobicContact CE1-CB 3.92Å; Y482-H488 PolarHBondContact OH-O 3.43Å
483	R	95.9	Very high	96.2	Very high	138 Å²	138	35.2 Å²	35.2	52%	0.521	18%	0.177	S	C	.	.	H	α-helix	trans	-66.7	-29.4	172.3	-76.4	-175.8	-114.7	108.9	2.1	113.4	Q479 N480 I481 Y487	Q479-R483 WeakPolarHBondContact O-CB 3.36Å; Q479-R483 WeakPolarHBondContact O-CG 3.47Å; Q479-R483 PolarHBondContact O-N 2.76Å; N480-R483 PolarHBondContact O-N 3.28Å; N480-R483 PolarHBondContact OD1-NH1 3.37Å; I481-R483 VanDerWaalsContact C-N 3.32Å; I481-R483 PolarHBondContact O-N 3.46Å; R483-Y487 HydrophobicContact CG-CE2 4.31Å
484	T	96.4	Very high	96.1	Very high	77 Å²	77	37.3 Å²	37.3	47%	0.472	18%	0.184	S	C	.	.	H	α-helix	trans	-82.1	-46.2	177.8	-59.6	0	0	0	0	112.8	N480 I481 Y482	N480-T484 PolarHBondContact O-N 3.12Å; N480-T484 PolarHBondContact O-OG1 2.9Å; I481-T484 PolarHBondContact O-N 3.49Å; Y482-T484 VanDerWaalsContact C-N 3.31Å; Y482-T484 PolarHBondContact O-N 3.37Å
485	Y	96.8	Very high	95.9	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-107.8	-8.2	-168.2	-55.3	-79.5	0	0	0	114.6	F400 I403 E404 I481	F400-Y485 AromaticContact CD1-CD1 3.59Å; F400-Y485 HydrophobicContact CD1-CD1 3.59Å; F400-Y485 AromaticContact CD1-CD2 3.49Å; F400-Y485 HydrophobicContact CD1-CD2 3.49Å; F400-Y485 VanDerWaalsContact CD1-CD2 3.49Å; F400-Y485 AromaticContact CD1-CE1 3.99Å; F400-Y485 HydrophobicContact CD1-CE1 3.99Å; F400-Y485 AromaticContact CD1-CE2 3.9Å; F400-Y485 HydrophobicContact CD1-CE2 3.9Å; F400-Y485 AromaticContact CD1-CG 3.33Å; F400-Y485 HydrophobicContact CD1-CG 3.33Å; F400-Y485 HydrophobicContact CE1-CD1 4.27Å; F400-Y485 AromaticContact CE1-CD2 3.28Å; F400-Y485 HydrophobicContact CE1-CD2 3.28Å; F400-Y485 AromaticContact CE1-CE2 3.78Å; F400-Y485 HydrophobicContact CE1-CE2 3.78Å; F400-Y485 AromaticContact CE1-CG 3.58Å; F400-Y485 HydrophobicContact CE1-CG 3.58Å; F400-Y485 HydrophobicContact CG-CD1 4.38Å; F400-Y485 HydrophobicContact CG-CE1 4.46Å; F400-Y485 HydrophobicContact CG-CG 4.47Å; F400-Y485 HydrophobicContact CZ-CD2 4.29Å; F400-Y485 HydrophobicContact CZ-CE2 4.47Å; I403-Y485 HydrophobicContact CB-CD1 4.14Å; I403-Y485 HydrophobicContact CB-CE1 4.18Å; I403-Y485 HydrophobicContact CD1-CD1 3.71Å; I403-Y485 HydrophobicContact CD1-CE1 4.49Å; I403-Y485 HydrophobicContact CG1-CD1 4.5Å; I403-Y485 HydrophobicContact CG2-CD1 4.26Å; I403-Y485 HydrophobicContact CG2-CE1 3.96Å; E404-Y485 HydrophobicContact CG-CE1 3.95Å; E404-Y485 PolarHBondContact OE1-OH 3.09Å; I481-Y485 HydrophobicContact CG2-CD2 3.9Å; I481-Y485 HydrophobicContact CG2-CE2 4.4Å; I481-Y485 VanDerWaalsContact O-CD2 3.23Å; I481-Y485 WeakPolarHBondContact O-CD2 3.33Å; I481-Y485 PolarHBondContact O-N 2.88Å
486	G	96.4	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.			trans	106.7	152.6	-171.9	0	0	0	0	0	112	Y482 H488 A586	Y482-G486 WeakPolarHBondContact CA-O 3.47Å; Y482-G486 WeakPolarHBondContact CD1-O 3.3Å; Y482-G486 CarbonylContact O-C 3.56Å; Y482-G486 VanDerWaalsContact O-CA 3.25Å; Y482-G486 WeakPolarHBondContact O-CA 3.4Å; Y482-G486 PolarHBondContact O-N 2.99Å; G486-H488 PolarHBondContact O-CD2 3.38Å; G486-A586 VanDerWaalsContact CA-O 3.27Å; G486-A586 WeakPolarHBondContact CA-O 3.49Å
487	Y	96.8	Very high	95.6	Very high	18 Å²	18	33 Å²	33	7%	0.071	16%	0.164	C	C	.	.			trans	-81.7	132.6	177.7	-82.7	-95.4	0	0	0	111.2	Q479 Y482 R483 A586 E590 V593 L596	Q479-Y487 PolarHBondContact OE1-OH 2.77Å; Y482-Y487 AromaticContact CD2-CD1 3.66Å; Y482-Y487 HydrophobicContact CD2-CD1 3.66Å; Y482-Y487 AromaticContact CD2-CE1 3.81Å; Y482-Y487 HydrophobicContact CD2-CE1 3.81Å; Y482-Y487 AromaticContact CG-CD1 3.8Å; Y482-Y487 HydrophobicContact CG-CD1 3.8Å; Y482-Y487 HydrophobicContact CG-CE1 4.11Å; Y482-Y487 HydrophobicContact CG-CG 4.24Å; R483-Y487 HydrophobicContact CG-CE2 4.31Å; Y487-A586 WeakPolarHBondContact O-CB 3.36Å; Y487-A586 PolarHBondContact O-N 3.13Å; Y487-E590 WeakPolarHBondContact CD2-O 3.41Å; Y487-V593 HydrophobicContact CD1-CG2 3.5Å; Y487-V593 HydrophobicContact CE1-CG2 3.37Å; Y487-V593 HydrophobicContact CG-CG2 4.28Å; Y487-L596 HydrophobicContact CG-CD1 4.38Å
488	H	97.1	Very high	95.1	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	96.1	177.3	-77.2	-102.3	0	0	0	110	K395 I396 Y482 G486 E583 F584	K395-H488 VanDerWaalsContact C-CE1 3.41Å; I396-H488 HydrophobicContact CB-CB 4.46Å; I396-H488 HydrophobicContact CD1-CB 4.46Å; I396-H488 WeakPolarHBondContact CD1-CD2 3.28Å; I396-H488 PolarHBondContact N-CE1 3.06Å; I396-H488 PolarHBondContact N-ND1 2.99Å; Y482-H488 HydrophobicContact CE1-CB 3.92Å; Y482-H488 PolarHBondContact OH-O 3.43Å; G486-H488 PolarHBondContact O-CD2 3.38Å; H488-E583 IonicContact CE1-OE1 3.75Å; H488-E583 IonicContact CG-OE1 3.07Å; H488-E583 IonicContact ND1-OE1 3.74Å; H488-E583 PolarHBondContact ND1-OE1 3.46Å; H488-F584 WeakPolarHBondContact CA-O 2.98Å
489	V	95.9	Very high	94.7	Very high	24 Å²	24	41 Å²	41	15%	0.145	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	178.3	-175.5	0	0	0	0	108	E583 F584 V593 L596 E597 L600	V489-E583 CarbonylContact O-C 3.53Å; V489-E583 VanDerWaalsContact O-CA 3.26Å; V489-E583 WeakPolarHBondContact O-CA 3.42Å; V489-F584 HydrophobicContact CB-CB 4.41Å; V489-F584 PolarHBondContact N-O 2.64Å; V489-F584 VanDerWaalsContact N-O 3.13Å; V489-F584 PolarHBondContact O-N 2.94Å; V489-V593 HydrophobicContact CG2-CG1 4.13Å; V489-L596 HydrophobicContact CG2-CB 4.12Å; V489-L596 HydrophobicContact CG2-CD1 4.43Å; V489-E597 HydrophobicContact CG1-CG 3.82Å; V489-L600 HydrophobicContact CB-CD2 4.19Å; V489-L600 HydrophobicContact CG1-CD2 3.76Å; V489-L600 VanDerWaalsContact O-CD2 3.27Å; V489-L600 WeakPolarHBondContact O-CD2 3.17Å
490	S	95.4	Very high	94.3	Very high	40 Å²	40	42.7 Å²	42.7	28%	0.28	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.2	-175.4	71.9	0	0	0	0	113.5	N358 T582	N358-S490 PolarHBondContact ND2-OG 2.96Å; S490-T582 CarbonylContact C-O 3.58Å; S490-T582 WeakPolarHBondContact CA-O 3.42Å
491	K	93.9	Very high	94	Very high	75 Å²	75	44.6 Å²	44.6	33%	0.326	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.9	175	-179.2	177.9	178.2	-173	0	109.3	T582 L600 T604	K491-T582 PolarHBondContact N-O 3.44Å; K491-T582 PolarHBondContact O-N 3.28Å; K491-T582 PolarHBondContact O-OG1 2.86Å; K491-L600 HydrophobicContact CB-CD2 4.44Å; K491-T604 HydrophobicContact CD-CG2 4.16Å
492	T	92.3	Very high	93.9	Very high	62 Å²	62	45 Å²	45	38%	0.38	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.4	179.3	-62.5	0	0	0	0	109.1	Y581	T492-Y581 HydrophobicContact CG2-CD1 3.5Å; T492-Y581 VanDerWaalsContact CG2-CD1 3.5Å; T492-Y581 HydrophobicContact CG2-CE1 3.37Å; T492-Y581 HydrophobicContact CG2-CG 4.43Å; T492-Y581 WeakPolarHBondContact OG1-CD1 3.23Å
493	S	92.4	Very high	93.7	Very high	15 Å²	15	45.3 Å²	45.3	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	-169.9	176.5	-179.2	0	0	0	0	110.3	K579 Y580	S493-K579 WeakPolarHBondContact O-CA 3.47Å; S493-Y580 VanDerWaalsContact CB-CZ 3.4Å; S493-Y580 WeakPolarHBondContact CB-OH 3.41Å; S493-Y580 PolarHBondContact N-O 3.21Å; S493-Y580 PolarHBondContact O-N 3.3Å; S493-Y580 PolarHBondContact OG-OH 2.93Å
494	Y	93.4	Very high	93.6	Very high	50 Å²	50	44.1 Å²	44.1	20%	0.196	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.8	-179.2	60.3	-93.4	0	0	0	112.8	K577 I578 R622	Y494-K577 HydrophobicContact CD1-CD 4.48Å; Y494-K577 HydrophobicContact CD2-CB 4.48Å; Y494-K577 HydrophobicContact CD2-CD 3.65Å; Y494-K577 HydrophobicContact CD2-CG 3.93Å; Y494-K577 HydrophobicContact CE2-CD 3.81Å; Y494-K577 VanDerWaalsContact CE2-CE 3.49Å; Y494-K577 HydrophobicContact CE2-CG 4.38Å; Y494-K577 HydrophobicContact CG-CD 4.01Å; Y494-K577 HydrophobicContact CG-CG 4.49Å; Y494-I578 CarbonylContact C-O 3.6Å; Y494-I578 VanDerWaalsContact CA-O 3.26Å; Y494-I578 WeakPolarHBondContact CA-O 3.4Å; Y494-I578 WeakPolarHBondContact CB-O 3.46Å; Y494-R622 HydrophobicContact CE1-CG 4.38Å; Y494-R622 HydrophobicContact CE2-CB 4.21Å; Y494-R622 HydrophobicContact CE2-CG 4.41Å
495	V	94.6	Very high	93.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.6	162.4	-58.9	0	0	0	0	109.5	K577 I578 Y580 L608 L612 L619 I620 R621	V495-K577 WeakPolarHBondContact O-CA 3.3Å; V495-I578 HydrophobicContact CG2-CB 3.97Å; V495-I578 PolarHBondContact N-O 2.84Å; V495-I578 PolarHBondContact O-N 3.32Å; V495-Y580 HydrophobicContact CG1-CE1 4.25Å; V495-L608 HydrophobicContact CG1-CD2 4.33Å; V495-L612 HydrophobicContact CG2-CD1 3.77Å; V495-L619 HydrophobicContact CB-CB 4.2Å; V495-L619 HydrophobicContact CG2-CB 4.19Å; V495-L619 HydrophobicContact CG2-CD1 3.91Å; V495-I620 CarbonylContact C-O 3.15Å; V495-I620 WeakPolarHBondContact CA-O 3.2Å; V495-R621 HydrophobicContact CG1-CG 4.47Å
496	T	94	Very high	93.6	Very high	28 Å²	28	45.4 Å²	45.4	17%	0.172	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	179.3	-51.7	0	0	0	0	109.9	P576 L619 I620	T496-P576 CarbonylContact C-O 3.57Å; T496-P576 WeakPolarHBondContact CA-O 3.36Å; T496-P576 HydrophobicContact CG2-CG 4.24Å; T496-P576 WeakPolarHBondContact CG2-O 3.46Å; T496-L619 WeakPolarHBondContact O-CA 3.39Å; T496-I620 PolarHBondContact N-O 3.27Å; T496-I620 PolarHBondContact O-N 3.16Å
497	C	92.3	Very high	93.6	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.027	24%	0.24	C	C	.	.			trans	-130.9	96.9	179.8	-171.1	0	0	0	0	109.6	D499 I503 P576 L619	C497-D499 PolarHBondContact O-N 3.13Å; C497-D499 PolarHBondContact SG-O 2.83Å; C497-D499 VanDerWaalsContact SG-O 3.41Å; C497-I503 HydrophobicContact CB-CD1 4.11Å; C497-I503 HydrophobicContact CB-CG1 3.85Å; C497-I503 VanDerWaalsContact SG-CG1 3.59Å; C497-P576 PolarHBondContact N-O 3.04Å; C497-P576 VanDerWaalsContact O-CB 3.31Å; C497-P576 WeakPolarHBondContact O-CB 3.41Å; C497-L619 HydrophobicContact CB-CD2 3.63Å; C497-L619 VanDerWaalsContact SG-CD2 3.53Å
498	N	88.6	Confident	93.6	Very high	115 Å²	115	47.4 Å²	47.4	62%	0.615	26%	0.256	S	S	*	.			trans	-76.2	-3.5	-177.1	-64.6	-31.3	0	0	0	113.7
499	D	88.7	Confident	93.6	Very high	71 Å²	71	49.9 Å²	49.9	38%	0.38	27%	0.265	S	S	.	.			trans	-112.3	101.3	179.2	178.8	58	0	0	0	110.9	C497 P501 T502 I503	C497-D499 PolarHBondContact O-N 3.13Å; C497-D499 PolarHBondContact SG-O 2.83Å; C497-D499 VanDerWaalsContact SG-O 3.41Å; D499-P501 WeakPolarHBondContact OD1-CD 3.44Å; D499-T502 WeakPolarHBondContact O-CB 3.36Å; D499-T502 PolarHBondContact O-N 3.22Å; D499-T502 WeakPolarHBondContact OD2-CB 3.43Å; D499-T502 PolarHBondContact OD2-N 2.83Å; D499-T502 PolarHBondContact OD2-OG1 2.72Å; D499-I503 PolarHBondContact O-N 3.26Å
500	P	86.5	Confident	93.7	Very high	88 Å²	88	48.7 Å²	48.7	57%	0.571	26%	0.258	S	S	*	.	H	α-helix	trans	-58.8	-37.6	-179.2	-22.8	32.8	0	0	0	115.2	T502 I503 Q504	P500-T502 VanDerWaalsContact C-N 3.27Å; P500-T502 PolarHBondContact O-N 2.99Å; P500-I503 WeakPolarHBondContact O-CB 3.49Å; P500-I503 PolarHBondContact O-N 3.05Å; P500-I503 VanDerWaalsContact O-N 3.14Å; P500-Q504 PolarHBondContact O-N 3.36Å
501	P	92.6	Very high	93.8	Very high	82 Å²	82	48.5 Å²	48.5	53%	0.532	25%	0.251	S	S	.	.	H	α-helix	trans	-53.3	-38.3	169.2	-29.6	35.7	0	0	0	114.3	D499 Q504 R505	D499-P501 WeakPolarHBondContact OD1-CD 3.44Å; P501-Q504 PolarHBondContact O-N 2.91Å; P501-R505 PolarHBondContact O-N 3.46Å
502	T	94.8	Very high	94	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.055	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-39.2	175.3	-72.4	0	0	0	0	112.6	D499 P500 Q504 R505 I506 N617 L619	D499-T502 WeakPolarHBondContact O-CB 3.36Å; D499-T502 PolarHBondContact O-N 3.22Å; D499-T502 WeakPolarHBondContact OD2-CB 3.43Å; D499-T502 PolarHBondContact OD2-N 2.83Å; D499-T502 PolarHBondContact OD2-OG1 2.72Å; P500-T502 VanDerWaalsContact C-N 3.27Å; P500-T502 PolarHBondContact O-N 2.99Å; T502-Q504 VanDerWaalsContact C-N 3.34Å; T502-Q504 PolarHBondContact O-N 2.98Å; T502-R505 VanDerWaalsContact CG2-NH2 3.26Å; T502-R505 PolarHBondContact O-N 2.87Å; T502-R505 PolarHBondContact OG1-NH1 2.91Å; T502-R505 PolarHBondContact OG1-NH2 3.46Å; T502-I506 HydrophobicContact CG2-CD1 3.79Å; T502-I506 HydrophobicContact CG2-CG1 4.37Å; T502-I506 VanDerWaalsContact O-CG1 3.3Å; T502-I506 WeakPolarHBondContact O-CG1 3.4Å; T502-I506 PolarHBondContact O-N 2.93Å; T502-N617 HydrophobicContact CG2-CB 3.79Å; T502-L619 HydrophobicContact CG2-CD2 4.33Å
503	I	93	Very high	94.1	Very high	22 Å²	22	48.3 Å²	48.3	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-47.3	173.4	-57.6	-178.5	0	0	0	110.5	C497 D499 P500 R505 I506 F507 T571 I578	C497-I503 HydrophobicContact CB-CD1 4.11Å; C497-I503 HydrophobicContact CB-CG1 3.85Å; C497-I503 VanDerWaalsContact SG-CG1 3.59Å; D499-I503 PolarHBondContact O-N 3.26Å; P500-I503 WeakPolarHBondContact O-CB 3.49Å; P500-I503 PolarHBondContact O-N 3.05Å; P500-I503 VanDerWaalsContact O-N 3.14Å; I503-R505 VanDerWaalsContact C-N 3.33Å; I503-R505 PolarHBondContact O-N 3.45Å; I503-I506 PolarHBondContact O-N 2.87Å; I503-F507 HydrophobicContact CG2-CD2 3.95Å; I503-F507 HydrophobicContact CG2-CE2 4.15Å; I503-F507 WeakPolarHBondContact O-CD2 3.45Å; I503-F507 PolarHBondContact O-N 2.74Å; I503-F507 VanDerWaalsContact O-N 3.08Å; I503-T571 HydrophobicContact CG2-CG2 3.41Å; I503-T571 VanDerWaalsContact CG2-CG2 3.41Å; I503-I578 HydrophobicContact CG1-CD1 4.39Å
504	Q	93.1	Very high	94.1	Very high	113 Å²	113	51.8 Å²	51.8	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-40.7	178.5	-62.7	-65.9	-7.2	0	0	111.8	P500 P501 T502 S508	P500-Q504 PolarHBondContact O-N 3.36Å; P501-Q504 PolarHBondContact O-N 2.91Å; T502-Q504 VanDerWaalsContact C-N 3.34Å; T502-Q504 PolarHBondContact O-N 2.98Å; Q504-S508 WeakPolarHBondContact O-CB 3.47Å; Q504-S508 PolarHBondContact O-N 2.88Å
505	R	96.1	Very high	94.1	Very high	122 Å²	122	51.2 Å²	51.2	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.5	-173.9	177.6	65.9	-107.6	-0.4	112.3	P501 T502 I503 R509 N617	P501-R505 PolarHBondContact O-N 3.46Å; T502-R505 VanDerWaalsContact CG2-NH2 3.26Å; T502-R505 PolarHBondContact O-N 2.87Å; T502-R505 PolarHBondContact OG1-NH1 2.91Å; T502-R505 PolarHBondContact OG1-NH2 3.46Å; I503-R505 VanDerWaalsContact C-N 3.33Å; I503-R505 PolarHBondContact O-N 3.45Å; R505-R509 WeakPolarHBondContact O-CB 3.11Å; R505-R509 PolarHBondContact O-N 3.34Å; R505-N617 PolarHBondContact NH2-OD1 2.95Å
506	I	97.3	Very high	94	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-55.8	177.9	-70.8	162.4	0	0	0	110.6	T502 I503 S508 R509 I510 I578 L612 N617 L619	T502-I506 HydrophobicContact CG2-CD1 3.79Å; T502-I506 HydrophobicContact CG2-CG1 4.37Å; T502-I506 VanDerWaalsContact O-CG1 3.3Å; T502-I506 WeakPolarHBondContact O-CG1 3.4Å; T502-I506 PolarHBondContact O-N 2.93Å; I503-I506 PolarHBondContact O-N 2.87Å; I506-S508 VanDerWaalsContact C-N 3.34Å; I506-S508 PolarHBondContact O-N 3.25Å; I506-R509 WeakPolarHBondContact O-CB 3.4Å; I506-R509 PolarHBondContact O-N 2.77Å; I506-R509 VanDerWaalsContact O-N 3.16Å; I506-I510 HydrophobicContact CG2-CD1 3.93Å; I506-I510 WeakPolarHBondContact O-CG1 3.06Å; I506-I510 PolarHBondContact O-N 3.49Å; I506-I578 HydrophobicContact CD1-CD1 4.02Å; I506-L612 HydrophobicContact CG2-CD2 3.84Å; I506-N617 HydrophobicContact CD1-CB 3.98Å; I506-N617 HydrophobicContact CG1-CB 4.38Å; I506-L619 HydrophobicContact CD1-CD1 3.93Å; I506-L619 HydrophobicContact CD1-CD2 4.11Å
507	F	97	Very high	93.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.1	-31.4	-177.1	-80.9	-88.9	0	0	0	112.7	I503 I510 R511 Q555 I557 L569 T571 I578	I503-F507 HydrophobicContact CG2-CD2 3.95Å; I503-F507 HydrophobicContact CG2-CE2 4.15Å; I503-F507 WeakPolarHBondContact O-CD2 3.45Å; I503-F507 PolarHBondContact O-N 2.74Å; I503-F507 VanDerWaalsContact O-N 3.08Å; F507-I510 PolarHBondContact O-N 2.83Å; F507-R511 WeakPolarHBondContact O-CG 3.35Å; F507-R511 PolarHBondContact O-N 2.91Å; F507-Q555 HydrophobicContact CB-CG 4.26Å; F507-Q555 HydrophobicContact CD1-CB 3.69Å; F507-Q555 HydrophobicContact CD1-CG 4.26Å; F507-Q555 HydrophobicContact CD2-CB 3.84Å; F507-Q555 HydrophobicContact CD2-CG 3.87Å; F507-Q555 HydrophobicContact CE1-CB 3.65Å; F507-Q555 HydrophobicContact CE2-CB 3.81Å; F507-Q555 HydrophobicContact CE2-CG 4.25Å; F507-Q555 HydrophobicContact CG-CB 3.79Å; F507-Q555 HydrophobicContact CG-CG 3.87Å; F507-Q555 HydrophobicContact CZ-CB 3.71Å; F507-I557 HydrophobicContact CD1-CD1 3.69Å; F507-I557 HydrophobicContact CD1-CG1 4.07Å; F507-I557 HydrophobicContact CE1-CD1 4.16Å; F507-I557 HydrophobicContact CE1-CG1 4.13Å; F507-L569 HydrophobicContact CE1-CB 4.2Å; F507-L569 HydrophobicContact CZ-CB 4.12Å; F507-T571 HydrophobicContact CE2-CG2 3.87Å; F507-T571 HydrophobicContact CZ-CG2 4.4Å; F507-I578 HydrophobicContact CE2-CD1 4.24Å; F507-I578 HydrophobicContact CE2-CG1 4.46Å; F507-I578 HydrophobicContact CE2-CG2 4.22Å; F507-I578 HydrophobicContact CZ-CG2 4.24Å
508	S	96.8	Very high	94	Very high	60 Å²	60	61.5 Å²	61.5	42%	0.42	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-41.2	170	-176	0	0	0	0	112	Q504 I506 R511 N512	Q504-S508 WeakPolarHBondContact O-CB 3.47Å; Q504-S508 PolarHBondContact O-N 2.88Å; I506-S508 VanDerWaalsContact C-N 3.34Å; I506-S508 PolarHBondContact O-N 3.25Å; S508-R511 PolarHBondContact O-N 3.42Å; S508-N512 PolarHBondContact O-N 2.7Å; S508-N512 PolarHBondContact O-ND2 2.59Å
509	R	97.6	Very high	94.4	Very high	63 Å²	63	57.4 Å²	57.4	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-42.8	174.2	-174.2	-171.6	67.5	114	2	111.9	R505 I506 R511 N512 F513 E610 F611 E613	R505-R509 WeakPolarHBondContact O-CB 3.11Å; R505-R509 PolarHBondContact O-N 3.34Å; I506-R509 WeakPolarHBondContact O-CB 3.4Å; I506-R509 PolarHBondContact O-N 2.77Å; I506-R509 VanDerWaalsContact O-N 3.16Å; R509-R511 PolarHBondContact O-N 3.43Å; R509-N512 CarbonylContact O-C 3.37Å; R509-N512 VanDerWaalsContact O-C 3.25Å; R509-N512 PolarHBondContact O-N 3.1Å; R509-F513 WeakPolarHBondContact O-CA 3.47Å; R509-F513 PolarHBondContact O-N 3.1Å; R509-F513 VanDerWaalsContact O-N 3.08Å; R509-E610 PolarHBondContact NH1-O 3.39Å; R509-E610 PolarHBondContact NH2-O 3.27Å; R509-F611 VanDerWaalsContact NH2-CA 3.29Å; R509-F611 PolarHBondContact NH2-O 3.33Å; R509-E613 IonicContact CZ-OE1 2.71Å; R509-E613 IonicContact CZ-OE2 2.85Å; R509-E613 IonicContact NE-OE2 3.45Å; R509-E613 PolarHBondContact NE-OE2 3.08Å; R509-E613 IonicContact NH1-OE1 3.54Å; R509-E613 PolarHBondContact NH1-OE1 2.94Å; R509-E613 IonicContact NH1-OE2 3.82Å; R509-E613 PolarHBondContact NH1-OE2 3.05Å; R509-E613 IonicContact NH2-OE2 2.66Å
510	I	97.8	Very high	94.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-34.8	178.2	-66.8	167.1	0	0	0	111.5	I506 F507 N512 Y519 P520 I557 F559 L569 F611	I506-I510 HydrophobicContact CG2-CD1 3.93Å; I506-I510 WeakPolarHBondContact O-CG1 3.06Å; I506-I510 PolarHBondContact O-N 3.49Å; F507-I510 PolarHBondContact O-N 2.83Å; I510-N512 VanDerWaalsContact C-N 3.28Å; I510-N512 PolarHBondContact O-N 3.08Å; I510-Y519 HydrophobicContact CG2-CD1 4.41Å; I510-P520 HydrophobicContact CG2-CG 4.47Å; I510-P520 WeakPolarHBondContact O-CD 3.41Å; I510-I557 HydrophobicContact CB-CD1 4.27Å; I510-I557 HydrophobicContact CG2-CD1 3.62Å; I510-F559 HydrophobicContact CG2-CE1 4.48Å; I510-F559 HydrophobicContact CG2-CZ 3.85Å; I510-L569 HydrophobicContact CD1-CD1 3.88Å; I510-F611 HydrophobicContact CD1-CB 4.17Å; I510-F611 HydrophobicContact CG1-CB 4.32Å
511	R	97.5	Very high	95.3	Very high	35 Å²	35	58.5 Å²	58.5	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-74.7	-16	175.3	-70.1	173.7	-178.3	108	16	114.5	F507 S508 R509 G517 S518 Y519 D533 T535 Q555	F507-R511 WeakPolarHBondContact O-CG 3.35Å; F507-R511 PolarHBondContact O-N 2.91Å; S508-R511 PolarHBondContact O-N 3.42Å; R509-R511 PolarHBondContact O-N 3.43Å; R511-G517 CarbonylContact O-C 3.54Å; R511-G517 VanDerWaalsContact O-C 3.27Å; R511-G517 WeakPolarHBondContact O-CA 3.17Å; R511-S518 CarbonylContact C-O 3.41Å; R511-S518 CarbonylContact O-C 3.55Å; R511-S518 PolarHBondContact O-N 2.95Å; R511-Y519 HydrophobicContact CB-CE1 4.32Å; R511-Y519 HydrophobicContact CG-CE1 3.69Å; R511-D533 IonicContact CZ-OD2 2.8Å; R511-D533 IonicContact NE-OD2 3.58Å; R511-D533 PolarHBondContact NE-OD2 2.87Å; R511-D533 IonicContact NH2-OD1 2.87Å; R511-D533 PolarHBondContact NH2-OD1 3.28Å; R511-D533 IonicContact NH2-OD2 3.71Å; R511-D533 PolarHBondContact NH2-OD2 3.17Å; R511-T535 VanDerWaalsContact NH2-CB 3.26Å; R511-T535 PolarHBondContact NH2-OG1 3.47Å; R511-Q555 VanDerWaalsContact CZ-OE1 3.26Å
512	N	97.2	Very high	95.5	Very high	56 Å²	56	56.4 Å²	56.4	30%	0.299	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	35.5	-171.3	-61.5	-59.7	0	0	0	111.4	S508 R509 I510 A514 G515 D516 G517 S518	S508-N512 PolarHBondContact O-N 2.7Å; S508-N512 PolarHBondContact O-ND2 2.59Å; R509-N512 CarbonylContact O-C 3.37Å; R509-N512 VanDerWaalsContact O-C 3.25Å; R509-N512 PolarHBondContact O-N 3.1Å; I510-N512 VanDerWaalsContact C-N 3.28Å; I510-N512 PolarHBondContact O-N 3.08Å; N512-A514 PolarHBondContact O-N 2.92Å; N512-G515 CarbonylContact C-O 3.53Å; N512-G515 VanDerWaalsContact C-O 3.31Å; N512-G515 WeakPolarHBondContact CA-O 3.3Å; N512-G515 PolarHBondContact O-N 3.08Å; N512-D516 WeakPolarHBondContact OD1-CA 3.43Å; N512-D516 PolarHBondContact OD1-OD1 2.87Å; N512-G517 PolarHBondContact OD1-N 3.11Å; N512-S518 CarbonylContact C-O 3.58Å
513	F	95.4	Very high	95.6	Very high	78 Å²	78	56.1 Å²	56.1	34%	0.342	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.9	-162.4	-164	-100.5	0	0	0	113.4	R509 S518 P520 F611	R509-F513 WeakPolarHBondContact O-CA 3.47Å; R509-F513 PolarHBondContact O-N 3.1Å; R509-F513 VanDerWaalsContact O-N 3.08Å; F513-S518 WeakPolarHBondContact CB-O 3.31Å; F513-S518 PolarHBondContact N-O 2.96Å; F513-P520 HydrophobicContact CB-CG 4.13Å; F513-P520 HydrophobicContact CD1-CB 3.96Å; F513-P520 HydrophobicContact CD1-CG 4.01Å; F513-P520 HydrophobicContact CD2-CB 4.5Å; F513-P520 HydrophobicContact CD2-CG 3.73Å; F513-P520 HydrophobicContact CE1-CB 4.05Å; F513-P520 HydrophobicContact CE1-CG 4.3Å; F513-P520 HydrophobicContact CE2-CG 4.02Å; F513-P520 HydrophobicContact CG-CB 4.18Å; F513-P520 HydrophobicContact CG-CG 3.7Å; F513-P520 HydrophobicContact CZ-CB 4.35Å; F513-P520 HydrophobicContact CZ-CG 4.29Å; F513-F611 HydrophobicContact CE2-CD1 4.11Å; F513-F611 HydrophobicContact CE2-CE1 4.41Å; F513-F611 HydrophobicContact CZ-CD1 4.26Å; F513-F611 HydrophobicContact CZ-CE1 4.2Å
514	A	92.9	Very high	95.7	Very high	88 Å²	88	56.3 Å²	56.3	73%	0.727	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	17.7	176.5	0	0	0	0	0	112.9	N512 S518	N512-A514 PolarHBondContact O-N 2.92Å; A514-S518 VanDerWaalsContact C-OG 3.23Å; A514-S518 WeakPolarHBondContact CA-OG 3.37Å; A514-S518 PolarHBondContact N-OG 2.81Å
515	G	92.7	Very high	95.8	Very high	38 Å²	38	59.1 Å²	59.1	39%	0.392	34%	0.339	S	S	.	.	S	Bend	trans	132.9	171.1	-168.4	0	0	0	0	0	112.3	N512 G517 S518	N512-G515 CarbonylContact C-O 3.53Å; N512-G515 VanDerWaalsContact C-O 3.31Å; N512-G515 WeakPolarHBondContact CA-O 3.3Å; N512-G515 PolarHBondContact O-N 3.08Å; G515-G517 PolarHBondContact O-N 2.8Å; G515-S518 PolarHBondContact N-OG 2.93Å; G515-S518 VanDerWaalsContact N-OG 3.09Å; G515-S518 WeakPolarHBondContact O-CB 3.36Å; G515-S518 PolarHBondContact O-N 3.24Å; G515-S518 VanDerWaalsContact O-N 3.15Å; G515-S518 PolarHBondContact O-OG 3.41Å
516	D	92.5	Very high	95.9	Very high	161 Å²	161	55.6 Å²	55.6	86%	0.861	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	129.1	-174.5	-168.4	38.3	0	0	0	112.6	N512 S518	N512-D516 WeakPolarHBondContact OD1-CA 3.43Å; N512-D516 PolarHBondContact OD1-OD1 2.87Å; D516-S518 PolarHBondContact O-N 3.17Å
517	G	90.7	Very high	95.9	Very high	56 Å²	56	56.1 Å²	56.1	58%	0.577	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	14.4	-179.2	0	0	0	0	0	116.1	R511 N512 G515	R511-G517 CarbonylContact O-C 3.54Å; R511-G517 VanDerWaalsContact O-C 3.27Å; R511-G517 WeakPolarHBondContact O-CA 3.17Å; N512-G517 PolarHBondContact OD1-N 3.11Å; G515-G517 PolarHBondContact O-N 2.8Å
518	S	94.4	Very high	96	Very high	33 Å²	33	57.2 Å²	57.2	23%	0.231	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-102.2	116.9	179.6	69.5	0	0	0	0	112.9	R511 N512 F513 A514 G515 D516	R511-S518 CarbonylContact C-O 3.41Å; R511-S518 CarbonylContact O-C 3.55Å; R511-S518 PolarHBondContact O-N 2.95Å; N512-S518 CarbonylContact C-O 3.58Å; F513-S518 WeakPolarHBondContact CB-O 3.31Å; F513-S518 PolarHBondContact N-O 2.96Å; A514-S518 VanDerWaalsContact C-OG 3.23Å; A514-S518 WeakPolarHBondContact CA-OG 3.37Å; A514-S518 PolarHBondContact N-OG 2.81Å; G515-S518 PolarHBondContact N-OG 2.93Å; G515-S518 VanDerWaalsContact N-OG 3.09Å; G515-S518 WeakPolarHBondContact O-CB 3.36Å; G515-S518 PolarHBondContact O-N 3.24Å; G515-S518 VanDerWaalsContact O-N 3.15Å; G515-S518 PolarHBondContact O-OG 3.41Å; D516-S518 PolarHBondContact O-N 3.17Å
519	Y	97.3	Very high	96.1	Very high	29 Å²	29	57.6 Å²	57.6	11%	0.114	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-79.3	163	172	-67.7	-83.8	0	0	0	112.1	I510 R511 V531 D533 T536 Y538 I557	I510-Y519 HydrophobicContact CG2-CD1 4.41Å; R511-Y519 HydrophobicContact CB-CE1 4.32Å; R511-Y519 HydrophobicContact CG-CE1 3.69Å; Y519-V531 HydrophobicContact CD1-CG1 3.75Å; Y519-V531 HydrophobicContact CD2-CG1 4.32Å; Y519-V531 HydrophobicContact CE1-CG1 4.1Å; Y519-V531 HydrophobicContact CG-CB 4.34Å; Y519-V531 HydrophobicContact CG-CG1 3.86Å; Y519-V531 HydrophobicContact CG-CG2 4.34Å; Y519-D533 HydrophobicContact CE1-CB 4.21Å; Y519-D533 VanDerWaalsContact OH-CB 3.32Å; Y519-D533 WeakPolarHBondContact OH-CB 3.38Å; Y519-D533 PolarHBondContact OH-OD2 3.24Å; Y519-T536 PolarHBondContact OH-OG1 3.36Å; Y519-Y538 HydrophobicContact CD2-CD1 4.15Å; Y519-Y538 AromaticContact CD2-CE1 3.81Å; Y519-Y538 HydrophobicContact CD2-CE1 3.81Å; Y519-Y538 AromaticContact CE2-CD1 3.5Å; Y519-Y538 HydrophobicContact CE2-CD1 3.5Å; Y519-Y538 VanDerWaalsContact CE2-CD1 3.5Å; Y519-Y538 AromaticContact CE2-CE1 3.62Å; Y519-Y538 HydrophobicContact CE2-CE1 3.62Å; Y519-Y538 HydrophobicContact CE2-CG 4.14Å; Y519-I557 HydrophobicContact CE1-CD1 4.21Å
520	P	97.1	Very high	96.1	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.026	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-55.4	139.8	172.9	-21.2	30.3	0	0	0	112.1	I510 F513 I528 F559 F611	I510-P520 HydrophobicContact CG2-CG 4.47Å; I510-P520 WeakPolarHBondContact O-CD 3.41Å; F513-P520 HydrophobicContact CB-CG 4.13Å; F513-P520 HydrophobicContact CD1-CB 3.96Å; F513-P520 HydrophobicContact CD1-CG 4.01Å; F513-P520 HydrophobicContact CD2-CB 4.5Å; F513-P520 HydrophobicContact CD2-CG 3.73Å; F513-P520 HydrophobicContact CE1-CB 4.05Å; F513-P520 HydrophobicContact CE1-CG 4.3Å; F513-P520 HydrophobicContact CE2-CG 4.02Å; F513-P520 HydrophobicContact CG-CB 4.18Å; F513-P520 HydrophobicContact CG-CG 3.7Å; F513-P520 HydrophobicContact CZ-CB 4.35Å; F513-P520 HydrophobicContact CZ-CG 4.29Å; P520-I528 HydrophobicContact CB-CD1 3.97Å; P520-I528 WeakPolarHBondContact O-CD1 3.28Å; P520-F559 HydrophobicContact CG-CE1 4.33Å; P520-F611 HydrophobicContact CB-CE1 3.75Å; P520-F611 HydrophobicContact CB-CE2 4.09Å; P520-F611 HydrophobicContact CB-CZ 3.42Å; P520-F611 VanDerWaalsContact CB-CZ 3.42Å; P520-F611 HydrophobicContact CG-CD1 4.3Å; P520-F611 HydrophobicContact CG-CD2 4.33Å; P520-F611 HydrophobicContact CG-CE1 3.84Å; P520-F611 HydrophobicContact CG-CE2 3.86Å; P520-F611 HydrophobicContact CG-CZ 3.61Å
521	K	97.2	Very high	96.1	Very high	178 Å²	178	58.5 Å²	58.5	77%	0.774	35%	0.348	S	S	*	.	S	Bend	trans	-95.9	-11	176.6	-65.2	-174.9	179.4	180	0	113.7	G527 I528	K521-G527 WeakPolarHBondContact O-CA 3.29Å; K521-I528 PolarHBondContact O-N 3.05Å
522	A	97.7	Very high	96.2	Very high	37 Å²	37	58.9 Å²	58.9	31%	0.306	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.4	177.4	0	0	0	0	0	109.5	I526 I528 F611	A522-I526 CarbonylContact C-O 3.53Å; A522-I526 WeakPolarHBondContact CA-O 3.43Å; A522-I526 WeakPolarHBondContact CB-O 3.43Å; A522-I528 WeakPolarHBondContact O-CD1 3.38Å; A522-F611 WeakPolarHBondContact O-CZ 3.49Å
523	C	97.1	Very high	96.2	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	107.2	169.3	-177	0	0	0	0	106.3	I526 I528 L561 L607 F611	C523-I526 PolarHBondContact N-O 2.93Å; C523-I526 PolarHBondContact O-N 2.76Å; C523-I528 HydrophobicContact CB-CD1 4.36Å; C523-L561 HydrophobicContact CB-CD2 4Å; C523-L607 PolarHBondContact SG-N 2.9Å; C523-L607 VanDerWaalsContact SG-N 3.41Å; C523-F611 HydrophobicContact CB-CE1 4.42Å; C523-F611 HydrophobicContact CB-CE2 4.49Å; C523-F611 HydrophobicContact CB-CZ 3.84Å
524	G	95.2	Very high	96.2	Very high	27 Å²	27	52.5 Å²	52.5	28%	0.278	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-141	-159.4	0	0	0	0	0	111.4	I526 E610	G524-I526 PolarHBondContact O-N 2.74Å; G524-E610 WeakPolarHBondContact CA-OE1 3.19Å; G524-E610 PolarHBondContact N-OE1 2.75Å; G524-E610 VanDerWaalsContact N-OE1 3.07Å; G524-E610 PolarHBondContact N-OE2 3.03Å; G524-E610 VanDerWaalsContact N-OE2 3.08Å
525	D	95	Very high	96.3	Very high	172 Å²	172	49.7 Å²	49.7	92%	0.92	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-1.9	-178.6	-59	-45.9	0	0	0	114.5
526	I	97.6	Very high	96.4	Very high	48 Å²	48	51.6 Å²	51.6	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.7	-172.1	-50.7	-59.4	0	0	0	111.1	A522 C523 G524 L561 Q562 N563 V603	A522-I526 CarbonylContact C-O 3.53Å; A522-I526 WeakPolarHBondContact CA-O 3.43Å; A522-I526 WeakPolarHBondContact CB-O 3.43Å; C523-I526 PolarHBondContact N-O 2.93Å; C523-I526 PolarHBondContact O-N 2.76Å; G524-I526 PolarHBondContact O-N 2.74Å; I526-L561 HydrophobicContact CB-CD2 4.02Å; I526-L561 HydrophobicContact CG2-CB 3.86Å; I526-L561 HydrophobicContact CG2-CD2 3.86Å; I526-L561 HydrophobicContact CG2-CG 4.36Å; I526-Q562 HydrophobicContact CG2-CB 4.42Å; I526-N563 HydrophobicContact CG2-CB 4.23Å; I526-V603 HydrophobicContact CG1-CG2 4.26Å
527	G	98.3	Very high	96.5	Very high	13 Å²	13	44.9 Å²	44.9	13%	0.134	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.5	177.4	0	0	0	0	0	113.5	K521 L561 Q562	K521-G527 WeakPolarHBondContact O-CA 3.29Å; G527-L561 CarbonylContact O-C 3.59Å; G527-L561 WeakPolarHBondContact O-CA 3.32Å; G527-Q562 WeakPolarHBondContact O-CG 3.48Å; G527-Q562 PolarHBondContact O-N 3.36Å
528	I	98.5	Very high	96.8	Very high	23 Å²	23	45.6 Å²	45.6	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.8	173.7	-69	165	0	0	0	108.5	P520 K521 A522 C523 H530 V531 F559 L561 F611	P520-I528 HydrophobicContact CB-CD1 3.97Å; P520-I528 WeakPolarHBondContact O-CD1 3.28Å; K521-I528 PolarHBondContact O-N 3.05Å; A522-I528 WeakPolarHBondContact O-CD1 3.38Å; C523-I528 HydrophobicContact CB-CD1 4.36Å; I528-H530 WeakPolarHBondContact CG2-O 3.44Å; I528-V531 HydrophobicContact CG2-CG2 3.74Å; I528-F559 HydrophobicContact CD1-CB 4.44Å; I528-F559 HydrophobicContact CD1-CD1 3.86Å; I528-F559 HydrophobicContact CD1-CG 4.38Å; I528-F559 HydrophobicContact CG2-CB 4.46Å; I528-F559 HydrophobicContact CG2-CD1 4.37Å; I528-L561 HydrophobicContact CG1-CG 4.19Å; I528-F611 HydrophobicContact CD1-CE2 4.28Å; I528-F611 HydrophobicContact CD1-CZ 3.91Å
529	V	98.1	Very high	96.9	Very high	67 Å²	67	44.1 Å²	44.1	41%	0.406	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-36.9	176.8	-63.8	0	0	0	0	112.3	T560 Q562	V529-T560 HydrophobicContact CG2-CG2 3.77Å; V529-T560 VanDerWaalsContact CG2-O 3.28Å; V529-T560 WeakPolarHBondContact CG2-O 3.45Å; V529-T560 PolarHBondContact N-O 2.8Å; V529-Q562 HydrophobicContact CG1-CB 4.37Å; V529-Q562 HydrophobicContact CG1-CG 3.44Å; V529-Q562 VanDerWaalsContact CG1-CG 3.44Å
530	H	98	Very high	96.9	Very high	74 Å²	74	44.2 Å²	44.2	34%	0.343	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.2	179.9	-59.5	-54.4	0	0	0	111.6	I528 S540 F559 T560	I528-H530 WeakPolarHBondContact CG2-O 3.44Å; H530-S540 WeakPolarHBondContact CA-OG 3.45Å; H530-F559 CarbonylContact O-C 3.49Å; H530-F559 WeakPolarHBondContact O-CA 3.49Å; H530-T560 PolarHBondContact N-O 3.1Å; H530-T560 PolarHBondContact O-N 2.68Å
531	V	98.4	Very high	96.8	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.6	163.6	-170.1	0	0	0	0	109.4	Y519 I528 Y538 S540 I557 T558 F559	Y519-V531 HydrophobicContact CD1-CG1 3.75Å; Y519-V531 HydrophobicContact CD2-CG1 4.32Å; Y519-V531 HydrophobicContact CE1-CG1 4.1Å; Y519-V531 HydrophobicContact CG-CB 4.34Å; Y519-V531 HydrophobicContact CG-CG1 3.86Å; Y519-V531 HydrophobicContact CG-CG2 4.34Å; I528-V531 HydrophobicContact CG2-CG2 3.74Å; V531-Y538 HydrophobicContact CB-CE1 4.33Å; V531-S540 PolarHBondContact N-OG 3.42Å; V531-S540 PolarHBondContact O-N 2.96Å; V531-S540 PolarHBondContact O-OG 3.42Å; V531-I557 HydrophobicContact CG1-CG2 3.68Å; V531-T558 CarbonylContact C-O 3.58Å; V531-T558 WeakPolarHBondContact CA-O 3.36Å; V531-F559 HydrophobicContact CG1-CD1 4.11Å; V531-F559 HydrophobicContact CG1-CE1 4Å; V531-F559 HydrophobicContact CG2-CD1 3.88Å; V531-F559 HydrophobicContact CG2-CE1 4.23Å
532	R	98.1	Very high	96.8	Very high	42 Å²	42	43 Å²	43	16%	0.158	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.2	167.1	178.4	-169.2	-66	159.1	0.4	108.5	E410 V534 Y538 D539 I557 T558	E410-R532 IonicContact OE2-CZ 3.11Å; E410-R532 IonicContact OE2-NH1 2.99Å; E410-R532 PolarHBondContact OE2-NH1 3.11Å; E410-R532 IonicContact OE2-NH2 2.77Å; R532-V534 HydrophobicContact CG-CG1 4.08Å; R532-Y538 CarbonylContact C-O 3.5Å; R532-Y538 WeakPolarHBondContact CA-O 3.48Å; R532-D539 HydrophobicContact CB-CB 4.46Å; R532-D539 HydrophobicContact CG-CB 4.17Å; R532-D539 IonicContact CZ-OD2 3.84Å; R532-D539 IonicContact NE-OD2 3.13Å; R532-D539 PolarHBondContact NE-OD2 2.69Å; R532-D539 IonicContact NH2-OD2 3.66Å; R532-D539 PolarHBondContact NH2-OD2 2.87Å; R532-I557 CarbonylContact O-C 3.41Å; R532-I557 WeakPolarHBondContact O-CA 3.45Å; R532-T558 PolarHBondContact N-O 2.84Å; R532-T558 PolarHBondContact O-N 3.07Å
533	D	97.5	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	97.9	172.6	179.1	6.5	0	0	0	109.5	R511 Y519 T535 T536 G537 Y538 M556 I557	R511-D533 IonicContact CZ-OD2 2.8Å; R511-D533 IonicContact NE-OD2 3.58Å; R511-D533 PolarHBondContact NE-OD2 2.87Å; R511-D533 IonicContact NH2-OD1 2.87Å; R511-D533 PolarHBondContact NH2-OD1 3.28Å; R511-D533 IonicContact NH2-OD2 3.71Å; R511-D533 PolarHBondContact NH2-OD2 3.17Å; Y519-D533 HydrophobicContact CE1-CB 4.21Å; Y519-D533 VanDerWaalsContact OH-CB 3.32Å; Y519-D533 WeakPolarHBondContact OH-CB 3.38Å; Y519-D533 PolarHBondContact OH-OD2 3.24Å; D533-T535 PolarHBondContact O-N 3.12Å; D533-T535 WeakPolarHBondContact OD1-CA 3.23Å; D533-T535 WeakPolarHBondContact OD1-CB 3.17Å; D533-T535 PolarHBondContact OD1-N 3.47Å; D533-T535 PolarHBondContact OD1-OG1 3.08Å; D533-T536 VanDerWaalsContact CG-OG1 3.31Å; D533-T536 PolarHBondContact O-N 3.4Å; D533-T536 PolarHBondContact O-OG1 2.89Å; D533-T536 WeakPolarHBondContact OD2-CG2 3.14Å; D533-T536 PolarHBondContact OD2-OG1 3.02Å; D533-T536 VanDerWaalsContact OD2-OG1 3.09Å; D533-G537 PolarHBondContact O-N 3.45Å; D533-Y538 PolarHBondContact N-O 3.44Å; D533-Y538 PolarHBondContact O-N 3.01Å; D533-M556 VanDerWaalsContact OD1-O 3.1Å; D533-I557 HydrophobicContact CB-CG1 4.04Å; D533-I557 HydrophobicContact CB-CG2 4.42Å
534	V	95.6	Very high	96.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.5	178.2	-56.5	0	0	0	0	112.4	L412 R532 L549 A551 S552 M556	L412-V534 HydrophobicContact CD2-CB 4.23Å; L412-V534 HydrophobicContact CD2-CG1 4.25Å; L412-V534 HydrophobicContact CD2-CG2 3.96Å; R532-V534 HydrophobicContact CG-CG1 4.08Å; V534-L549 HydrophobicContact CG1-CB 4.03Å; V534-L549 HydrophobicContact CG1-CD1 3.92Å; V534-A551 CarbonylContact O-C 3.56Å; V534-A551 VanDerWaalsContact O-CA 3.23Å; V534-A551 WeakPolarHBondContact O-CA 3.4Å; V534-S552 PolarHBondContact O-N 3.25Å; V534-M556 HydrophobicContact CB-CE 4.42Å; V534-M556 HydrophobicContact CG1-CE 3.96Å; V534-M556 HydrophobicContact CG2-CB 3.67Å; V534-M556 HydrophobicContact CG2-CE 3.54Å; V534-M556 HydrophobicContact CG2-CG 4.01Å; V534-M556 HydrophobicContact CG2-SD 3.98Å; V534-M556 PolarHBondContact N-O 3.34Å
535	T	94.8	Very high	96.6	Very high	30 Å²	30	54.4 Å²	54.4	18%	0.184	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-37.2	172.1	-26.1	0	0	0	0	111.1	R511 D533 S552 Q555 M556	R511-T535 VanDerWaalsContact NH2-CB 3.26Å; R511-T535 PolarHBondContact NH2-OG1 3.47Å; D533-T535 PolarHBondContact O-N 3.12Å; D533-T535 WeakPolarHBondContact OD1-CA 3.23Å; D533-T535 WeakPolarHBondContact OD1-CB 3.17Å; D533-T535 PolarHBondContact OD1-N 3.47Å; D533-T535 PolarHBondContact OD1-OG1 3.08Å; T535-S552 WeakPolarHBondContact CA-O 3.43Å; T535-Q555 WeakPolarHBondContact OG1-CA 3.45Å; T535-M556 PolarHBondContact OG1-N 2.68Å
536	T	94.6	Very high	96.6	Very high	78 Å²	78	54.6 Å²	54.6	48%	0.479	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-9	178.6	56.2	0	0	0	0	112.9	Y519 D533 Y538	Y519-T536 PolarHBondContact OH-OG1 3.36Å; D533-T536 VanDerWaalsContact CG-OG1 3.31Å; D533-T536 PolarHBondContact O-N 3.4Å; D533-T536 PolarHBondContact O-OG1 2.89Å; D533-T536 WeakPolarHBondContact OD2-CG2 3.14Å; D533-T536 PolarHBondContact OD2-OG1 3.02Å; D533-T536 VanDerWaalsContact OD2-OG1 3.09Å; T536-Y538 VanDerWaalsContact C-N 3.28Å; T536-Y538 WeakPolarHBondContact OG1-CB 3.37Å
537	G	95.6	Very high	96.5	Very high	19 Å²	19	53.2 Å²	53.2	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	15.3	-173.1	0	0	0	0	0	113.6	D533 R546 S547	D533-G537 PolarHBondContact O-N 3.45Å; G537-R546 CarbonylContact O-C 3.52Å; G537-R546 WeakPolarHBondContact O-CA 3.25Å; G537-S547 PolarHBondContact O-N 3.37Å
538	Y	96.6	Very high	96.2	Very high	71 Å²	71	57.4 Å²	57.4	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.2	-179.3	178.7	-103.1	0	0	0	111.8	Y519 V531 R532 D533 T536 L545	Y519-Y538 HydrophobicContact CD2-CD1 4.15Å; Y519-Y538 AromaticContact CD2-CE1 3.81Å; Y519-Y538 HydrophobicContact CD2-CE1 3.81Å; Y519-Y538 AromaticContact CE2-CD1 3.5Å; Y519-Y538 HydrophobicContact CE2-CD1 3.5Å; Y519-Y538 VanDerWaalsContact CE2-CD1 3.5Å; Y519-Y538 AromaticContact CE2-CE1 3.62Å; Y519-Y538 HydrophobicContact CE2-CE1 3.62Å; Y519-Y538 HydrophobicContact CE2-CG 4.14Å; V531-Y538 HydrophobicContact CB-CE1 4.33Å; R532-Y538 CarbonylContact C-O 3.5Å; R532-Y538 WeakPolarHBondContact CA-O 3.48Å; D533-Y538 PolarHBondContact N-O 3.44Å; D533-Y538 PolarHBondContact O-N 3.01Å; T536-Y538 VanDerWaalsContact C-N 3.28Å; T536-Y538 WeakPolarHBondContact OG1-CB 3.37Å; Y538-L545 WeakPolarHBondContact CA-O 3.44Å; Y538-L545 HydrophobicContact CD2-CB 4.25Å; Y538-L545 HydrophobicContact CE2-CB 3.98Å; Y538-L545 HydrophobicContact CE2-CD1 4.36Å; Y538-L545 HydrophobicContact CE2-CD2 4.33Å; Y538-L545 HydrophobicContact CE2-CG 4.46Å
539	D	97.4	Very high	95.9	Very high	2 Å²	2	57 Å²	57	1%	0.011	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	103.1	170.9	-167.1	-27.2	0	0	0	111.3	R532 S541 R542 L545	R532-D539 HydrophobicContact CB-CB 4.46Å; R532-D539 HydrophobicContact CG-CB 4.17Å; R532-D539 IonicContact CZ-OD2 3.84Å; R532-D539 IonicContact NE-OD2 3.13Å; R532-D539 PolarHBondContact NE-OD2 2.69Å; R532-D539 IonicContact NH2-OD2 3.66Å; R532-D539 PolarHBondContact NH2-OD2 2.87Å; D539-S541 PolarHBondContact O-N 3.43Å; D539-S541 WeakPolarHBondContact OD1-CB 3.24Å; D539-S541 PolarHBondContact OD1-N 2.98Å; D539-S541 PolarHBondContact OD1-OG 3.18Å; D539-R542 HydrophobicContact CB-CB 4.42Å; D539-R542 HydrophobicContact CB-CG 3.91Å; D539-R542 WeakPolarHBondContact O-CB 3.29Å; D539-R542 PolarHBondContact O-N 3.46Å; D539-R542 VanDerWaalsContact O-N 3.13Å; D539-L545 PolarHBondContact N-O 3.29Å; D539-L545 CarbonylContact O-C 3.37Å; D539-L545 WeakPolarHBondContact O-CA 3.5Å
540	S	97.2	Very high	95.6	Very high	32 Å²	32	56.9 Å²	56.9	22%	0.224	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.3	178.3	59.9	0	0	0	0	115.6	H530 V531 R542	H530-S540 WeakPolarHBondContact CA-OG 3.45Å; V531-S540 PolarHBondContact N-OG 3.42Å; V531-S540 PolarHBondContact O-N 2.96Å; V531-S540 PolarHBondContact O-OG 3.42Å; S540-R542 PolarHBondContact O-N 2.97Å
541	S	95.4	Very high	95.1	Very high	52 Å²	52	57 Å²	57	36%	0.364	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.3	171.4	74.3	0	0	0	0	112.9	D539	D539-S541 PolarHBondContact O-N 3.43Å; D539-S541 WeakPolarHBondContact OD1-CB 3.24Å; D539-S541 PolarHBondContact OD1-N 2.98Å; D539-S541 PolarHBondContact OD1-OG 3.18Å
542	R	95.6	Very high	94.4	Very high	103 Å²	103	57.8 Å²	57.8	39%	0.389	32%	0.323	S	S	.	.	S	Bend	trans	-113.7	137.8	-172.5	-62.5	-75.6	-60.5	174.4	3.2	111.5	D539 S540 D544 L545 R546	D539-R542 HydrophobicContact CB-CB 4.42Å; D539-R542 HydrophobicContact CB-CG 3.91Å; D539-R542 WeakPolarHBondContact O-CB 3.29Å; D539-R542 PolarHBondContact O-N 3.46Å; D539-R542 VanDerWaalsContact O-N 3.13Å; S540-R542 PolarHBondContact O-N 2.97Å; R542-D544 PolarHBondContact O-N 3.48Å; R542-L545 WeakPolarHBondContact O-CA 3.43Å; R542-L545 PolarHBondContact O-N 3.07Å; R542-R546 WeakPolarHBondContact CG-O 3.45Å
543	P	94.6	Very high	93.6	Very high	135 Å²	135	61.7 Å²	61.7	88%	0.877	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.7	-178.9	-25.6	34.8	0	0	0	115
544	D	95.9	Very high	93	Very high	85 Å²	85	63.5 Å²	63.5	46%	0.455	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.4	176.5	64.8	-23.9	0	0	0	113.4	R542 R546	R542-D544 PolarHBondContact O-N 3.48Å; D544-R546 PolarHBondContact O-N 2.75Å; D544-R546 PolarHBondContact OD1-N 3.33Å
545	L	95.8	Very high	93	Very high	88 Å²	88	64.3 Å²	64.3	46%	0.461	37%	0.373	S	S	.	.	S	Bend	trans	57	21.8	-176.5	-57.5	174.9	0	0	0	114.6	Y538 D539 R542	Y538-L545 WeakPolarHBondContact CA-O 3.44Å; Y538-L545 HydrophobicContact CD2-CB 4.25Å; Y538-L545 HydrophobicContact CE2-CB 3.98Å; Y538-L545 HydrophobicContact CE2-CD1 4.36Å; Y538-L545 HydrophobicContact CE2-CD2 4.33Å; Y538-L545 HydrophobicContact CE2-CG 4.46Å; D539-L545 PolarHBondContact N-O 3.29Å; D539-L545 CarbonylContact O-C 3.37Å; D539-L545 WeakPolarHBondContact O-CA 3.5Å; R542-L545 WeakPolarHBondContact O-CA 3.43Å; R542-L545 PolarHBondContact O-N 3.07Å
546	R	96.2	Very high	93	Very high	176 Å²	176	63.1 Å²	63.1	66%	0.664	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-113.2	134.8	-176.6	-70.3	171.6	179.3	-162.8	-2	112.1	G537 R542 D544	G537-R546 CarbonylContact O-C 3.52Å; G537-R546 WeakPolarHBondContact O-CA 3.25Å; R542-R546 WeakPolarHBondContact CG-O 3.45Å; D544-R546 PolarHBondContact O-N 2.75Å; D544-R546 PolarHBondContact OD1-N 3.33Å
547	S	93.6	Very high	93.2	Very high	19 Å²	19	59.4 Å²	59.4	13%	0.133	34%	0.343	C	S	.	.			trans	-68.1	140.6	173.7	-158.6	0	0	0	0	111	G537 L549	G537-S547 PolarHBondContact O-N 3.37Å; S547-L549 PolarHBondContact OG-N 2.96Å
548	V	92.6	Very high	93.3	Very high	100 Å²	100	58.9 Å²	58.9	61%	0.606	34%	0.336	S	S	*	.	S	Bend	trans	-74.9	-15.3	169.5	-62.3	0	0	0	0	112.3
549	L	93.3	Very high	93.4	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	32%	0.323	C	S	.	.	S	Bend	trans	-82.7	143.9	176.1	-63.5	171.6	0	0	0	110.2	T391 E410 L412 V534 S547	T391-L549 HydrophobicContact CG2-CD1 3.29Å; E410-L549 WeakPolarHBondContact O-CD2 3.39Å; L412-L549 HydrophobicContact CD2-CB 4.3Å; L412-L549 HydrophobicContact CD2-CD1 4.34Å; V534-L549 HydrophobicContact CG1-CB 4.03Å; V534-L549 HydrophobicContact CG1-CD1 3.92Å; S547-L549 PolarHBondContact OG-N 2.96Å
550	P	90.4	Very high	93.4	Very high	64 Å²	64	57.7 Å²	57.7	42%	0.416	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.8	148	176.4	26	-32.7	0	0	0	111	L412 W417	L412-P550 HydrophobicContact CD1-CG 3.89Å; L412-P550 HydrophobicContact CG-CG 4.36Å; W417-P550 HydrophobicContact CE3-CG 4.2Å; W417-P550 HydrophobicContact CH2-CG 3.96Å; W417-P550 HydrophobicContact CZ3-CB 4.48Å; W417-P550 HydrophobicContact CZ3-CG 3.62Å
551	A	88.4	Confident	93.5	Very high	75 Å²	75	56.4 Å²	56.4	62%	0.62	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-65.3	137.5	179.7	0	0	0	0	0	111.8	V534	V534-A551 CarbonylContact O-C 3.56Å; V534-A551 VanDerWaalsContact O-CA 3.23Å; V534-A551 WeakPolarHBondContact O-CA 3.4Å
552	S	83.6	Confident	93.6	Very high	27 Å²	27	60.8 Å²	60.8	19%	0.189	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-103.7	137.4	-178.6	169.2	0	0	0	0	111.4	V534 T535 S554	V534-S552 PolarHBondContact O-N 3.25Å; T535-S552 WeakPolarHBondContact CA-O 3.43Å; S552-S554 VanDerWaalsContact C-N 3.3Å; S552-S554 WeakPolarHBondContact CB-O 3.42Å; S552-S554 PolarHBondContact OG-N 3.4Å; S552-S554 PolarHBondContact OG-O 2.94Å
553	S	80.4	Confident	93.5	Very high	124 Å²	124	57.7 Å²	57.7	87%	0.867	33%	0.332	S	S	*	.	S	Bend	trans	-74.7	-20.7	168.7	56.5	0	0	0	0	113.2
554	S	86.4	Confident	93.5	Very high	38 Å²	38	52.4 Å²	52.4	27%	0.266	30%	0.302	S	S	.	.	S	Bend	trans	-85	140.4	170.6	-62.6	0	0	0	0	110	S552 M556	S552-S554 VanDerWaalsContact C-N 3.3Å; S552-S554 WeakPolarHBondContact CB-O 3.42Å; S552-S554 PolarHBondContact OG-N 3.4Å; S552-S554 PolarHBondContact OG-O 2.94Å; S554-M556 PolarHBondContact O-N 2.99Å
555	Q	93.9	Very high	93.6	Very high	17 Å²	17	48.3 Å²	48.3	8%	0.079	28%	0.281	C	S	.	.			trans	-63.8	127.9	178.1	-54.8	-66.7	-35.5	0	0	110.1	F507 R511 T535 R570 T571	F507-Q555 HydrophobicContact CB-CG 4.26Å; F507-Q555 HydrophobicContact CD1-CB 3.69Å; F507-Q555 HydrophobicContact CD1-CG 4.26Å; F507-Q555 HydrophobicContact CD2-CB 3.84Å; F507-Q555 HydrophobicContact CD2-CG 3.87Å; F507-Q555 HydrophobicContact CE1-CB 3.65Å; F507-Q555 HydrophobicContact CE2-CB 3.81Å; F507-Q555 HydrophobicContact CE2-CG 4.25Å; F507-Q555 HydrophobicContact CG-CB 3.79Å; F507-Q555 HydrophobicContact CG-CG 3.87Å; F507-Q555 HydrophobicContact CZ-CB 3.71Å; R511-Q555 VanDerWaalsContact CZ-OE1 3.26Å; T535-Q555 WeakPolarHBondContact OG1-CA 3.45Å; Q555-R570 CarbonylContact O-C 3.55Å; Q555-R570 VanDerWaalsContact O-CA 3.29Å; Q555-R570 WeakPolarHBondContact O-CA 3.25Å; Q555-T571 HydrophobicContact CB-CG2 3.75Å; Q555-T571 HydrophobicContact CG-CG2 3.94Å; Q555-T571 PolarHBondContact N-OG1 3.18Å; Q555-T571 PolarHBondContact O-N 3.13Å; Q555-T571 PolarHBondContact O-OG1 2.92Å
556	M	96.3	Very high	93.7	Very high	4 Å²	4	45 Å²	45	2%	0.02	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	118.3	172.3	-177.9	-179.5	115.6	0	0	111.6	T391 L412 P413 D533 V534 T535 S554 T568 L569 R570	T391-M556 HydrophobicContact CG2-CE 3.83Å; T391-M556 WeakPolarHBondContact OG1-CE 3.33Å; L412-M556 HydrophobicContact CD2-CE 4.13Å; P413-M556 HydrophobicContact CG-SD 4.17Å; D533-M556 VanDerWaalsContact OD1-O 3.1Å; V534-M556 HydrophobicContact CB-CE 4.42Å; V534-M556 HydrophobicContact CG1-CE 3.96Å; V534-M556 HydrophobicContact CG2-CB 3.67Å; V534-M556 HydrophobicContact CG2-CE 3.54Å; V534-M556 HydrophobicContact CG2-CG 4.01Å; V534-M556 HydrophobicContact CG2-SD 3.98Å; V534-M556 PolarHBondContact N-O 3.34Å; T535-M556 PolarHBondContact OG1-N 2.68Å; S554-M556 PolarHBondContact O-N 2.99Å; M556-T568 HydrophobicContact CG-CG2 3.9Å; M556-L569 CarbonylContact C-O 3.52Å; M556-L569 VanDerWaalsContact CA-O 3.27Å; M556-L569 WeakPolarHBondContact CA-O 3.47Å; M556-R570 HydrophobicContact CB-CB 4.41Å; M556-R570 HydrophobicContact CB-CG 4.35Å; M556-R570 HydrophobicContact CG-CB 4.21Å; M556-R570 HydrophobicContact CG-CG 4.39Å
557	I	98.1	Very high	93.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.5	178	-52.7	176.9	0	0	0	108.9	F507 I510 Y519 V531 R532 D533 F559 T568 L569	F507-I557 HydrophobicContact CD1-CD1 3.69Å; F507-I557 HydrophobicContact CD1-CG1 4.07Å; F507-I557 HydrophobicContact CE1-CD1 4.16Å; F507-I557 HydrophobicContact CE1-CG1 4.13Å; I510-I557 HydrophobicContact CB-CD1 4.27Å; I510-I557 HydrophobicContact CG2-CD1 3.62Å; Y519-I557 HydrophobicContact CE1-CD1 4.21Å; V531-I557 HydrophobicContact CG1-CG2 3.68Å; R532-I557 CarbonylContact O-C 3.41Å; R532-I557 WeakPolarHBondContact O-CA 3.45Å; D533-I557 HydrophobicContact CB-CG1 4.04Å; D533-I557 HydrophobicContact CB-CG2 4.42Å; I557-F559 HydrophobicContact CB-CE2 4.35Å; I557-F559 HydrophobicContact CB-CZ 4.25Å; I557-F559 HydrophobicContact CG2-CD1 4.49Å; I557-F559 HydrophobicContact CG2-CE1 3.82Å; I557-F559 HydrophobicContact CG2-CE2 3.86Å; I557-F559 HydrophobicContact CG2-CZ 3.46Å; I557-F559 VanDerWaalsContact CG2-CZ 3.46Å; I557-T568 CarbonylContact O-C 3.57Å; I557-T568 VanDerWaalsContact O-CA 3.32Å; I557-T568 WeakPolarHBondContact O-CA 3.48Å; I557-L569 PolarHBondContact N-O 2.9Å; I557-L569 PolarHBondContact O-N 3.43Å
558	T	98.2	Very high	94	Very high	9 Å²	9	36 Å²	36	6%	0.055	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.8	175	-59.2	0	0	0	0	110	V531 R532 V566 A567 T568	V531-T558 CarbonylContact C-O 3.58Å; V531-T558 WeakPolarHBondContact CA-O 3.36Å; R532-T558 PolarHBondContact N-O 2.84Å; R532-T558 PolarHBondContact O-N 3.07Å; T558-V566 HydrophobicContact CG2-CG1 3.72Å; T558-A567 CarbonylContact C-O 3.33Å; T558-A567 WeakPolarHBondContact CA-O 3.42Å; T558-T568 WeakPolarHBondContact CB-OG1 3.09Å; T558-T568 WeakPolarHBondContact CG2-OG1 3.37Å; T558-T568 WeakPolarHBondContact OG1-CG2 3.46Å; T558-T568 PolarHBondContact OG1-OG1 3.01Å
559	F	98.4	Very high	94.2	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.2	175.4	-51.2	-84.1	0	0	0	109	I510 P520 I528 H530 V531 I557 L561 V566 A567 L569 L607 F611	I510-F559 HydrophobicContact CG2-CE1 4.48Å; I510-F559 HydrophobicContact CG2-CZ 3.85Å; P520-F559 HydrophobicContact CG-CE1 4.33Å; I528-F559 HydrophobicContact CD1-CB 4.44Å; I528-F559 HydrophobicContact CD1-CD1 3.86Å; I528-F559 HydrophobicContact CD1-CG 4.38Å; I528-F559 HydrophobicContact CG2-CB 4.46Å; I528-F559 HydrophobicContact CG2-CD1 4.37Å; H530-F559 CarbonylContact O-C 3.49Å; H530-F559 WeakPolarHBondContact O-CA 3.49Å; V531-F559 HydrophobicContact CG1-CD1 4.11Å; V531-F559 HydrophobicContact CG1-CE1 4Å; V531-F559 HydrophobicContact CG2-CD1 3.88Å; V531-F559 HydrophobicContact CG2-CE1 4.23Å; I557-F559 HydrophobicContact CB-CE2 4.35Å; I557-F559 HydrophobicContact CB-CZ 4.25Å; I557-F559 HydrophobicContact CG2-CD1 4.49Å; I557-F559 HydrophobicContact CG2-CE1 3.82Å; I557-F559 HydrophobicContact CG2-CE2 3.86Å; I557-F559 HydrophobicContact CG2-CZ 3.46Å; I557-F559 VanDerWaalsContact CG2-CZ 3.46Å; F559-L561 HydrophobicContact CB-CD1 4.02Å; F559-V566 CarbonylContact O-C 3.51Å; F559-V566 WeakPolarHBondContact O-CA 3.29Å; F559-A567 WeakPolarHBondContact CD2-O 3.31Å; F559-A567 PolarHBondContact N-O 3.1Å; F559-A567 PolarHBondContact O-N 3.16Å; F559-L569 HydrophobicContact CE2-CD1 4.22Å; F559-L569 HydrophobicContact CE2-CG 4.49Å; F559-L607 HydrophobicContact CD2-CD1 4.14Å; F559-L607 HydrophobicContact CE2-CD1 4.22Å; F559-F611 HydrophobicContact CD1-CE2 4.18Å; F559-F611 HydrophobicContact CD2-CD2 4.43Å; F559-F611 HydrophobicContact CD2-CE2 4.08Å; F559-F611 HydrophobicContact CE1-CD2 4.41Å; F559-F611 AromaticContact CE1-CE2 3.86Å; F559-F611 HydrophobicContact CE1-CE2 3.86Å; F559-F611 AromaticContact CE2-CD2 3.76Å; F559-F611 HydrophobicContact CE2-CD2 3.76Å; F559-F611 AromaticContact CE2-CE2 3.75Å; F559-F611 HydrophobicContact CE2-CE2 3.75Å; F559-F611 HydrophobicContact CG-CE2 4.29Å; F559-F611 AromaticContact CZ-CD2 3.74Å; F559-F611 HydrophobicContact CZ-CD2 3.74Å; F559-F611 AromaticContact CZ-CE2 3.63Å; F559-F611 HydrophobicContact CZ-CE2 3.63Å
560	T	98.1	Very high	94.3	Very high	47 Å²	47	32.2 Å²	32.2	29%	0.288	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.4	167.4	-53.4	0	0	0	0	107.9	V529 H530 V566	V529-T560 HydrophobicContact CG2-CG2 3.77Å; V529-T560 VanDerWaalsContact CG2-O 3.28Å; V529-T560 WeakPolarHBondContact CG2-O 3.45Å; V529-T560 PolarHBondContact N-O 2.8Å; H530-T560 PolarHBondContact N-O 3.1Å; H530-T560 PolarHBondContact O-N 2.68Å; T560-V566 HydrophobicContact CG2-CG2 4.42Å
561	L	98.1	Very high	94.4	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	156.9	-174.4	-72.9	78.8	0	0	0	111.6	C523 I526 G527 I528 F559 N563 G564 V565 A567 V603	C523-L561 HydrophobicContact CB-CD2 4Å; I526-L561 HydrophobicContact CB-CD2 4.02Å; I526-L561 HydrophobicContact CG2-CB 3.86Å; I526-L561 HydrophobicContact CG2-CD2 3.86Å; I526-L561 HydrophobicContact CG2-CG 4.36Å; G527-L561 CarbonylContact O-C 3.59Å; G527-L561 WeakPolarHBondContact O-CA 3.32Å; I528-L561 HydrophobicContact CG1-CG 4.19Å; F559-L561 HydrophobicContact CB-CD1 4.02Å; L561-N563 PolarHBondContact O-N 3.29Å; L561-G564 PolarHBondContact O-N 3.28Å; L561-G564 VanDerWaalsContact O-N 3.07Å; L561-V565 HydrophobicContact CB-CB 4.29Å; L561-V565 WeakPolarHBondContact CB-O 3.26Å; L561-V565 HydrophobicContact CD1-CG1 4.49Å; L561-V565 WeakPolarHBondContact CD1-O 3.38Å; L561-V565 HydrophobicContact CD2-CB 4.5Å; L561-V565 PolarHBondContact N-O 3.23Å; L561-A567 HydrophobicContact CD1-CB 4.34Å; L561-V603 HydrophobicContact CD2-CB 4.48Å; L561-V603 HydrophobicContact CD2-CG1 3.53Å; L561-V603 HydrophobicContact CD2-CG2 4.04Å
562	Q	97.1	Very high	94	Very high	145 Å²	145	27.3 Å²	27.3	68%	0.678	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.6	-177.5	-77.3	176.3	-28.4	0	0	114.1	I526 G527 V529 G564	I526-Q562 HydrophobicContact CG2-CB 4.42Å; G527-Q562 WeakPolarHBondContact O-CG 3.48Å; G527-Q562 PolarHBondContact O-N 3.36Å; V529-Q562 HydrophobicContact CG1-CB 4.37Å; V529-Q562 HydrophobicContact CG1-CG 3.44Å; V529-Q562 VanDerWaalsContact CG1-CG 3.44Å; Q562-G564 VanDerWaalsContact C-N 3.32Å
563	N	93.9	Very high	93.3	Very high	37 Å²	37	29.1 Å²	29.1	20%	0.198	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	9.8	178.1	73.9	-25.3	0	0	0	113.9	I526 L561 V565 F584	I526-N563 HydrophobicContact CG2-CB 4.23Å; L561-N563 PolarHBondContact O-N 3.29Å; N563-V565 WeakPolarHBondContact OD1-CG2 3.38Å; N563-V565 PolarHBondContact OD1-N 3.17Å; N563-F584 HydrophobicContact CB-CZ 4.41Å; N563-F584 WeakPolarHBondContact O-CE1 3.25Å; N563-F584 WeakPolarHBondContact O-CZ 3.45Å
564	G	94.8	Very high	92.5	Very high	24 Å²	24	27.3 Å²	27.3	25%	0.247	17%	0.17	C	C	.	.	S	Bend	trans	86.2	2.1	-179.8	0	0	0	0	0	115.2	L561 Q562 C585	L561-G564 PolarHBondContact O-N 3.28Å; L561-G564 VanDerWaalsContact O-N 3.07Å; Q562-G564 VanDerWaalsContact C-N 3.32Å; G564-C585 WeakPolarHBondContact O-CB 3.4Å; G564-C585 PolarHBondContact O-N 3.02Å; G564-C585 VanDerWaalsContact O-N 3.08Å
565	V	97.6	Very high	91.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135	170.7	178	0	0	0	0	110.9	L561 N563 E583 F584 L600 V603	L561-V565 HydrophobicContact CB-CB 4.29Å; L561-V565 WeakPolarHBondContact CB-O 3.26Å; L561-V565 HydrophobicContact CD1-CG1 4.49Å; L561-V565 WeakPolarHBondContact CD1-O 3.38Å; L561-V565 HydrophobicContact CD2-CB 4.5Å; L561-V565 PolarHBondContact N-O 3.23Å; N563-V565 WeakPolarHBondContact OD1-CG2 3.38Å; N563-V565 PolarHBondContact OD1-N 3.17Å; V565-E583 CarbonylContact C-O 3.58Å; V565-E583 VanDerWaalsContact CA-O 3.26Å; V565-E583 WeakPolarHBondContact CA-O 3.45Å; V565-F584 HydrophobicContact CG2-CB 4.19Å; V565-F584 HydrophobicContact CG2-CD2 3.39Å; V565-F584 HydrophobicContact CG2-CE2 3.81Å; V565-F584 HydrophobicContact CG2-CG 3.84Å; V565-L600 HydrophobicContact CG1-CD1 3.98Å; V565-L600 HydrophobicContact CG2-CD1 4.36Å; V565-V603 HydrophobicContact CB-CG1 4.4Å; V565-V603 HydrophobicContact CG1-CB 4.27Å; V565-V603 HydrophobicContact CG1-CG1 3.73Å; V565-V603 HydrophobicContact CG2-CG2 4.33Å
566	V	98.2	Very high	91.3	Very high	19 Å²	19	31 Å²	31	12%	0.115	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.8	169.2	-177.7	0	0	0	0	108.5	T558 F559 T560 T582 E583	T558-V566 HydrophobicContact CG2-CG1 3.72Å; F559-V566 CarbonylContact O-C 3.51Å; F559-V566 WeakPolarHBondContact O-CA 3.29Å; T560-V566 HydrophobicContact CG2-CG2 4.42Å; V566-T582 CarbonylContact O-C 3.57Å; V566-T582 WeakPolarHBondContact O-CA 3.4Å; V566-E583 PolarHBondContact N-O 3.24Å; V566-E583 PolarHBondContact O-N 3.4Å
567	A	98.2	Very high	91	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.1	-176.9	0	0	0	0	0	110.9	T558 F559 L561 Y581 T582 L607	T558-A567 CarbonylContact C-O 3.33Å; T558-A567 WeakPolarHBondContact CA-O 3.42Å; F559-A567 WeakPolarHBondContact CD2-O 3.31Å; F559-A567 PolarHBondContact N-O 3.1Å; F559-A567 PolarHBondContact O-N 3.16Å; L561-A567 HydrophobicContact CD1-CB 4.34Å; A567-Y581 CarbonylContact C-O 3.58Å; A567-Y581 WeakPolarHBondContact CA-O 3.45Å; A567-T582 HydrophobicContact CB-CG2 4.07Å; A567-L607 HydrophobicContact CB-CD1 4.14Å; A567-L607 HydrophobicContact CB-CD2 4.05Å
568	T	97.9	Very high	90.8	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.6	178.7	-58.8	0	0	0	0	111.4	V392 M556 I557 T558 Y580 Y581	V392-T568 HydrophobicContact CG1-CG2 4.11Å; M556-T568 HydrophobicContact CG-CG2 3.9Å; I557-T568 CarbonylContact O-C 3.57Å; I557-T568 VanDerWaalsContact O-CA 3.32Å; I557-T568 WeakPolarHBondContact O-CA 3.48Å; T558-T568 WeakPolarHBondContact CB-OG1 3.09Å; T558-T568 WeakPolarHBondContact CG2-OG1 3.37Å; T558-T568 WeakPolarHBondContact OG1-CG2 3.46Å; T558-T568 PolarHBondContact OG1-OG1 3.01Å; T568-Y580 WeakPolarHBondContact O-CA 3.41Å; T568-Y581 PolarHBondContact N-O 3.37Å; T568-Y581 PolarHBondContact O-N 2.86Å
569	L	97.7	Very high	90.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.7	169.3	-65	176.7	0	0	0	109.4	F507 I510 M556 I557 F559 L607 F611 L612	F507-L569 HydrophobicContact CE1-CB 4.2Å; F507-L569 HydrophobicContact CZ-CB 4.12Å; I510-L569 HydrophobicContact CD1-CD1 3.88Å; M556-L569 CarbonylContact C-O 3.52Å; M556-L569 VanDerWaalsContact CA-O 3.27Å; M556-L569 WeakPolarHBondContact CA-O 3.47Å; I557-L569 PolarHBondContact N-O 2.9Å; I557-L569 PolarHBondContact O-N 3.43Å; F559-L569 HydrophobicContact CE2-CD1 4.22Å; F559-L569 HydrophobicContact CE2-CG 4.49Å; L569-L607 HydrophobicContact CD1-CD1 4.21Å; L569-L607 HydrophobicContact CD2-CD1 4.44Å; L569-L607 HydrophobicContact CD2-CD2 3.79Å; L569-L607 HydrophobicContact CD2-CG 4.03Å; L569-L607 HydrophobicContact CG-CD1 4.23Å; L569-L607 HydrophobicContact CG-CD2 4.32Å; L569-L607 HydrophobicContact CG-CG 4.36Å; L569-F611 HydrophobicContact CD1-CB 4.15Å; L569-F611 HydrophobicContact CD1-CD2 4.39Å; L569-L612 HydrophobicContact CD1-CD2 3.86Å; L569-L612 HydrophobicContact CD1-CG 4.46Å; L569-L612 HydrophobicContact CD2-CD1 4.12Å; L569-L612 HydrophobicContact CD2-CD2 4.11Å; L569-L612 HydrophobicContact CD2-CG 4.23Å
570	R	94.9	Very high	90.6	Very high	38 Å²	38	35.8 Å²	35.8	14%	0.143	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.2	-176.2	176	-178.5	169.1	-145.2	1.6	112.6	P413 Q555 M556 I578 K579 Y581	P413-R570 VanDerWaalsContact CB-CZ 3.41Å; Q555-R570 CarbonylContact O-C 3.55Å; Q555-R570 VanDerWaalsContact O-CA 3.29Å; Q555-R570 WeakPolarHBondContact O-CA 3.25Å; M556-R570 HydrophobicContact CB-CB 4.41Å; M556-R570 HydrophobicContact CB-CG 4.35Å; M556-R570 HydrophobicContact CG-CB 4.21Å; M556-R570 HydrophobicContact CG-CG 4.39Å; R570-I578 CarbonylContact O-C 3.5Å; R570-K579 PolarHBondContact N-O 3.09Å; R570-K579 PolarHBondContact O-N 2.86Å; R570-Y581 HydrophobicContact CB-CE2 4.46Å
571	T	91.9	Very high	90.6	Very high	15 Å²	15	34 Å²	34	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.4	169.6	51.5	0	0	0	0	112.4	I503 F507 Q555 I578	I503-T571 HydrophobicContact CG2-CG2 3.41Å; I503-T571 VanDerWaalsContact CG2-CG2 3.41Å; F507-T571 HydrophobicContact CE2-CG2 3.87Å; F507-T571 HydrophobicContact CZ-CG2 4.4Å; Q555-T571 HydrophobicContact CB-CG2 3.75Å; Q555-T571 HydrophobicContact CG-CG2 3.94Å; Q555-T571 PolarHBondContact N-OG1 3.18Å; Q555-T571 PolarHBondContact O-N 3.13Å; Q555-T571 PolarHBondContact O-OG1 2.92Å; T571-I578 HydrophobicContact CG2-CG1 4.49Å
572	S	81.3	Confident	90.5	Very high	21 Å²	21	33.9 Å²	33.9	15%	0.147	20%	0.196	C	C	.	.			trans	-69.3	135.2	164.6	-174.4	0	0	0	0	109.7	T574 E575 K577	S572-T574 VanDerWaalsContact C-N 3.3Å; S572-E575 PolarHBondContact OG-N 3Å; S572-E575 PolarHBondContact OG-OE2 3.22Å; S572-K577 PolarHBondContact N-O 3.24Å
573	G	68.6	Low	90.6	Very high	65 Å²	65	27.5 Å²	27.5	67%	0.67	17%	0.166	S	C	*	.	S	Bend	trans	-81.1	-8.1	177.8	0	0	0	0	0	114.2
574	T	61.9	Low	90.8	Very high	85 Å²	85	26 Å²	26	52%	0.521	16%	0.157	S	C	.	.	S	Bend	trans	-127.2	-5.4	-175.2	52.9	0	0	0	0	113.8	S572	S572-T574 VanDerWaalsContact C-N 3.3Å
575	E	71.9	Confident	90.9	Very high	71 Å²	71	26.3 Å²	26.3	33%	0.332	16%	0.156	S	C	.	.	S	Bend	trans	-139.6	152	-175.2	-57.2	166	96.1	0	0	109.9	S572 K577	S572-E575 PolarHBondContact OG-N 3Å; S572-E575 PolarHBondContact OG-OE2 3.22Å; E575-K577 HydrophobicContact CB-CB 4.37Å; E575-K577 HydrophobicContact CB-CD 4.03Å; E575-K577 HydrophobicContact CB-CG 4.06Å; E575-K577 PolarHBondContact O-N 3.33Å; E575-K577 WeakPolarHBondContact OE1-CD 3.31Å; E575-K577 VanDerWaalsContact OE1-CE 3.26Å; E575-K577 WeakPolarHBondContact OE1-CE 3.17Å; E575-K577 IonicContact OE1-NZ 3.67Å; E575-K577 PolarHBondContact OE1-NZ 3.4Å
576	P	84.1	Confident	90.7	Very high	62 Å²	62	26.5 Å²	26.5	40%	0.403	16%	0.157	S	C	.	.	S	Bend	trans	-74.5	57.1	175.8	32.5	-36.3	0	0	0	111.7	T496 C497	T496-P576 CarbonylContact C-O 3.57Å; T496-P576 WeakPolarHBondContact CA-O 3.36Å; T496-P576 HydrophobicContact CG2-CG 4.24Å; T496-P576 WeakPolarHBondContact CG2-O 3.46Å; C497-P576 PolarHBondContact N-O 3.04Å; C497-P576 VanDerWaalsContact O-CB 3.31Å; C497-P576 WeakPolarHBondContact O-CB 3.41Å
577	K	90	Very high	90.4	Very high	38 Å²	38	28 Å²	28	17%	0.165	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136	-172	-68.3	177.8	-179.8	172.3	0	112.2	Y494 V495 S572 E575	Y494-K577 HydrophobicContact CD1-CD 4.48Å; Y494-K577 HydrophobicContact CD2-CB 4.48Å; Y494-K577 HydrophobicContact CD2-CD 3.65Å; Y494-K577 HydrophobicContact CD2-CG 3.93Å; Y494-K577 HydrophobicContact CE2-CD 3.81Å; Y494-K577 VanDerWaalsContact CE2-CE 3.49Å; Y494-K577 HydrophobicContact CE2-CG 4.38Å; Y494-K577 HydrophobicContact CG-CD 4.01Å; Y494-K577 HydrophobicContact CG-CG 4.49Å; V495-K577 WeakPolarHBondContact O-CA 3.3Å; S572-K577 PolarHBondContact N-O 3.24Å; E575-K577 HydrophobicContact CB-CB 4.37Å; E575-K577 HydrophobicContact CB-CD 4.03Å; E575-K577 HydrophobicContact CB-CG 4.06Å; E575-K577 PolarHBondContact O-N 3.33Å; E575-K577 WeakPolarHBondContact OE1-CD 3.31Å; E575-K577 VanDerWaalsContact OE1-CE 3.26Å; E575-K577 WeakPolarHBondContact OE1-CE 3.17Å; E575-K577 IonicContact OE1-NZ 3.67Å; E575-K577 PolarHBondContact OE1-NZ 3.4Å
578	I	95	Very high	90	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.5	162	-53.8	174.7	0	0	0	106.6	Y494 V495 I503 I506 F507 R570 T571 L612	Y494-I578 CarbonylContact C-O 3.6Å; Y494-I578 VanDerWaalsContact CA-O 3.26Å; Y494-I578 WeakPolarHBondContact CA-O 3.4Å; Y494-I578 WeakPolarHBondContact CB-O 3.46Å; V495-I578 HydrophobicContact CG2-CB 3.97Å; V495-I578 PolarHBondContact N-O 2.84Å; V495-I578 PolarHBondContact O-N 3.32Å; I503-I578 HydrophobicContact CG1-CD1 4.39Å; I506-I578 HydrophobicContact CD1-CD1 4.02Å; F507-I578 HydrophobicContact CE2-CD1 4.24Å; F507-I578 HydrophobicContact CE2-CG1 4.46Å; F507-I578 HydrophobicContact CE2-CG2 4.22Å; F507-I578 HydrophobicContact CZ-CG2 4.24Å; R570-I578 CarbonylContact O-C 3.5Å; T571-I578 HydrophobicContact CG2-CG1 4.49Å; I578-L612 HydrophobicContact CD1-CD2 4.35Å; I578-L612 HydrophobicContact CG2-CD1 4.23Å; I578-L612 HydrophobicContact CG2-CD2 4.14Å
579	K	94.9	Very high	89.4	Confident	58 Å²	58	34.4 Å²	34.4	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	144.1	172.4	-59.8	-163.3	175	-165.1	0	109.8	S493 R570 Y581	S493-K579 WeakPolarHBondContact O-CA 3.47Å; R570-K579 PolarHBondContact N-O 3.09Å; R570-K579 PolarHBondContact O-N 2.86Å; K579-Y581 HydrophobicContact CB-CD2 4.4Å; K579-Y581 HydrophobicContact CB-CE2 3.69Å; K579-Y581 HydrophobicContact CD-CE2 4.33Å
580	Y	96.3	Very high	88.7	Confident	18 Å²	18	39.1 Å²	39.1	7%	0.071	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.7	171.5	61.1	-86.5	0	0	0	110.3	S493 V495 T568 T604 L608	S493-Y580 VanDerWaalsContact CB-CZ 3.4Å; S493-Y580 WeakPolarHBondContact CB-OH 3.41Å; S493-Y580 PolarHBondContact N-O 3.21Å; S493-Y580 PolarHBondContact O-N 3.3Å; S493-Y580 PolarHBondContact OG-OH 2.93Å; V495-Y580 HydrophobicContact CG1-CE1 4.25Å; T568-Y580 WeakPolarHBondContact O-CA 3.41Å; Y580-T604 HydrophobicContact CD2-CG2 4.01Å; Y580-T604 HydrophobicContact CE2-CG2 3.61Å; Y580-L608 HydrophobicContact CD1-CD2 3.72Å; Y580-L608 HydrophobicContact CD2-CD2 4.33Å; Y580-L608 HydrophobicContact CE1-CD1 4.38Å; Y580-L608 HydrophobicContact CE1-CD2 3.68Å; Y580-L608 HydrophobicContact CE2-CD1 4.23Å; Y580-L608 HydrophobicContact CE2-CD2 4.27Å; Y580-L608 HydrophobicContact CG-CD2 4.05Å
581	Y	97.4	Very high	88.2	Confident	9 Å²	9	40.9 Å²	40.9	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.8	-176.5	-60.1	-95.9	0	0	0	107.4	V392 E438 T492 A567 T568 R570 K579	V392-Y581 HydrophobicContact CB-CD1 3.79Å; V392-Y581 HydrophobicContact CB-CD2 3.96Å; V392-Y581 HydrophobicContact CB-CE1 3.71Å; V392-Y581 HydrophobicContact CB-CE2 3.88Å; V392-Y581 HydrophobicContact CB-CG 3.88Å; V392-Y581 HydrophobicContact CG1-CD1 4.43Å; V392-Y581 HydrophobicContact CG1-CD2 3.66Å; V392-Y581 HydrophobicContact CG1-CE1 4.35Å; V392-Y581 HydrophobicContact CG1-CE2 3.57Å; V392-Y581 HydrophobicContact CG1-CG 4.08Å; V392-Y581 HydrophobicContact CG2-CE1 4.06Å; V392-Y581 HydrophobicContact CG2-CE2 4.5Å; E438-Y581 HydrophobicContact CG-CD1 4.42Å; E438-Y581 HydrophobicContact CG-CE1 3.85Å; E438-Y581 WeakPolarHBondContact OE1-CE1 3.38Å; E438-Y581 PolarHBondContact OE1-OH 3.12Å; T492-Y581 HydrophobicContact CG2-CD1 3.5Å; T492-Y581 VanDerWaalsContact CG2-CD1 3.5Å; T492-Y581 HydrophobicContact CG2-CE1 3.37Å; T492-Y581 HydrophobicContact CG2-CG 4.43Å; T492-Y581 WeakPolarHBondContact OG1-CD1 3.23Å; A567-Y581 CarbonylContact C-O 3.58Å; A567-Y581 WeakPolarHBondContact CA-O 3.45Å; T568-Y581 PolarHBondContact N-O 3.37Å; T568-Y581 PolarHBondContact O-N 2.86Å; R570-Y581 HydrophobicContact CB-CE2 4.46Å; K579-Y581 HydrophobicContact CB-CD2 4.4Å; K579-Y581 HydrophobicContact CB-CE2 3.69Å; K579-Y581 HydrophobicContact CD-CE2 4.33Å
582	T	97.9	Very high	88.1	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.5	-179.2	52.1	0	0	0	0	109	S490 K491 V566 A567 T604 L607	S490-T582 CarbonylContact C-O 3.58Å; S490-T582 WeakPolarHBondContact CA-O 3.42Å; K491-T582 PolarHBondContact N-O 3.44Å; K491-T582 PolarHBondContact O-N 3.28Å; K491-T582 PolarHBondContact O-OG1 2.86Å; V566-T582 CarbonylContact O-C 3.57Å; V566-T582 WeakPolarHBondContact O-CA 3.4Å; A567-T582 HydrophobicContact CB-CG2 4.07Å; T582-T604 HydrophobicContact CG2-CG2 4.34Å; T582-T604 PolarHBondContact OG1-OG1 3.45Å; T582-L607 HydrophobicContact CG2-CD2 3.84Å
583	E	98.1	Very high	88.5	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.1	179.1	-179.3	-176.3	-156.1	0	0	110.3	S394 K395 H488 V489 V565 V566 C585	S394-E583 VanDerWaalsContact CA-OE1 3.26Å; S394-E583 WeakPolarHBondContact CA-OE1 3.46Å; S394-E583 VanDerWaalsContact CA-OE2 3.3Å; S394-E583 WeakPolarHBondContact CA-OE2 3.41Å; S394-E583 WeakPolarHBondContact CB-OE1 3.45Å; S394-E583 PolarHBondContact OG-OE1 3.49Å; K395-E583 WeakPolarHBondContact CG-OE2 3.47Å; K395-E583 PolarHBondContact N-OE1 3.17Å; K395-E583 VanDerWaalsContact N-OE1 3.11Å; K395-E583 PolarHBondContact N-OE2 2.98Å; H488-E583 IonicContact CE1-OE1 3.75Å; H488-E583 IonicContact CG-OE1 3.07Å; H488-E583 IonicContact ND1-OE1 3.74Å; H488-E583 PolarHBondContact ND1-OE1 3.46Å; V489-E583 CarbonylContact O-C 3.53Å; V489-E583 VanDerWaalsContact O-CA 3.26Å; V489-E583 WeakPolarHBondContact O-CA 3.42Å; V565-E583 CarbonylContact C-O 3.58Å; V565-E583 VanDerWaalsContact CA-O 3.26Å; V565-E583 WeakPolarHBondContact CA-O 3.45Å; V566-E583 PolarHBondContact N-O 3.24Å; V566-E583 PolarHBondContact O-N 3.4Å; E583-C585 VanDerWaalsContact CD-SG 3.53Å
584	F	97.8	Very high	89.7	Confident	5 Å²	5	46.4 Å²	46.4	2%	0.022	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.3	165.3	-154.8	-57.4	0	0	0	108.3	H488 V489 N563 V565 A586 L596 E599 L600	H488-F584 WeakPolarHBondContact CA-O 2.98Å; V489-F584 HydrophobicContact CB-CB 4.41Å; V489-F584 PolarHBondContact N-O 2.64Å; V489-F584 VanDerWaalsContact N-O 3.13Å; V489-F584 PolarHBondContact O-N 2.94Å; N563-F584 HydrophobicContact CB-CZ 4.41Å; N563-F584 WeakPolarHBondContact O-CE1 3.25Å; N563-F584 WeakPolarHBondContact O-CZ 3.45Å; V565-F584 HydrophobicContact CG2-CB 4.19Å; V565-F584 HydrophobicContact CG2-CD2 3.39Å; V565-F584 HydrophobicContact CG2-CE2 3.81Å; V565-F584 HydrophobicContact CG2-CG 3.84Å; F584-A586 HydrophobicContact CD1-CB 4.05Å; F584-A586 HydrophobicContact CE1-CB 4.16Å; F584-L596 HydrophobicContact CD1-CD2 3.75Å; F584-L596 HydrophobicContact CD2-CD2 4.34Å; F584-L596 HydrophobicContact CE1-CD2 3.54Å; F584-L596 HydrophobicContact CE2-CD2 4.15Å; F584-L596 HydrophobicContact CG-CB 4.5Å; F584-L596 HydrophobicContact CG-CD2 4.17Å; F584-L596 HydrophobicContact CZ-CD2 3.75Å; F584-E599 HydrophobicContact CD2-CB 4.16Å; F584-E599 HydrophobicContact CE2-CB 3.68Å; F584-E599 WeakPolarHBondContact CE2-OE2 3.3Å; F584-L600 HydrophobicContact CB-CB 4.36Å; F584-L600 HydrophobicContact CB-CD1 4.28Å; F584-L600 HydrophobicContact CD2-CB 4.47Å
585	C	96.9	Very high	91.2	Very high	31 Å²	31	47.3 Å²	47.3	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	86	174.3	-58.3	0	0	0	0	109.2	G564 E583	G564-C585 WeakPolarHBondContact O-CB 3.4Å; G564-C585 PolarHBondContact O-N 3.02Å; G564-C585 VanDerWaalsContact O-N 3.08Å; E583-C585 VanDerWaalsContact CD-SG 3.53Å
586	A	94.7	Very high	92.3	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.033	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-76	150	-176.5	0	0	0	0	0	111.7	G486 Y487 F584 E590 L596	G486-A586 VanDerWaalsContact CA-O 3.27Å; G486-A586 WeakPolarHBondContact CA-O 3.49Å; Y487-A586 WeakPolarHBondContact O-CB 3.36Å; Y487-A586 PolarHBondContact O-N 3.13Å; F584-A586 HydrophobicContact CD1-CB 4.05Å; F584-A586 HydrophobicContact CE1-CB 4.16Å; A586-E590 WeakPolarHBondContact CA-OE2 3.46Å; A586-E590 HydrophobicContact CB-CB 4.05Å; A586-E590 WeakPolarHBondContact CB-OE2 3.48Å; A586-L596 HydrophobicContact CB-CD1 3.62Å; A586-L596 HydrophobicContact CB-CD2 3.83Å; A586-L596 HydrophobicContact CB-CG 4.39Å
587	A	90.6	Very high	92.8	Very high	50 Å²	50	45.2 Å²	45.2	41%	0.413	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-73.7	152.3	177.8	0	0	0	0	0	111.7	G589 E590	A587-G589 PolarHBondContact O-N 3.1Å; A587-G589 VanDerWaalsContact O-N 3.16Å; A587-E590 PolarHBondContact N-OE2 3.39Å; A587-E590 WeakPolarHBondContact O-CB 3.39Å; A587-E590 PolarHBondContact O-N 3.45Å
588	P	89.9	Confident	93.1	Very high	78 Å²	78	46.3 Å²	46.3	51%	0.506	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	123	170.6	-25.1	32.8	0	0	0	111.7	I403	I403-P588 HydrophobicContact CD1-CG 4.47Å
589	G	85.1	Confident	93.1	Very high	62 Å²	62	48.6 Å²	48.6	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.4	-29.6	-175.7	0	0	0	0	0	114.2	A587 S591	A587-G589 PolarHBondContact O-N 3.1Å; A587-G589 VanDerWaalsContact O-N 3.16Å; G589-S591 PolarHBondContact O-N 2.91Å; G589-S591 VanDerWaalsContact O-N 3.16Å; G589-S591 PolarHBondContact O-OG 2.88Å
590	E	84.1	Confident	93.2	Very high	98 Å²	98	46.1 Å²	46.1	46%	0.458	28%	0.278	S	S	.	.			trans	-72.6	106.3	171.4	-67.7	175.7	167.4	0	0	108.9	Y487 A586 A587	Y487-E590 WeakPolarHBondContact CD2-O 3.41Å; A586-E590 WeakPolarHBondContact CA-OE2 3.46Å; A586-E590 HydrophobicContact CB-CB 4.05Å; A586-E590 WeakPolarHBondContact CB-OE2 3.48Å; A587-E590 PolarHBondContact N-OE2 3.39Å; A587-E590 WeakPolarHBondContact O-CB 3.39Å; A587-E590 PolarHBondContact O-N 3.45Å
591	S	83.4	Confident	93.2	Very high	75 Å²	75	50.2 Å²	50.2	52%	0.524	29%	0.293	S	S	.	.			trans	-127.6	-0.1	-165.6	45.1	0	0	0	0	115.2	G589 V593	G589-S591 PolarHBondContact O-N 2.91Å; G589-S591 VanDerWaalsContact O-N 3.16Å; G589-S591 PolarHBondContact O-OG 2.88Å; S591-V593 PolarHBondContact O-N 2.98Å
592	D	90.7	Very high	93.1	Very high	88 Å²	88	56.4 Å²	56.4	47%	0.471	32%	0.321	S	S	.	.			trans	-80.2	84.5	169.2	-169.4	-21.5	0	0	0	110.5	S594 Q595 L596	D592-S594 PolarHBondContact O-N 3.21Å; D592-S594 WeakPolarHBondContact OD1-CA 3.42Å; D592-S594 VanDerWaalsContact OD1-CB 3.31Å; D592-S594 WeakPolarHBondContact OD1-CB 3.29Å; D592-S594 PolarHBondContact OD1-N 3.47Å; D592-Q595 HydrophobicContact CB-CB 4.07Å; D592-Q595 PolarHBondContact O-N 3.12Å; D592-Q595 VanDerWaalsContact O-N 3.13Å; D592-Q595 PolarHBondContact OD1-N 3.43Å; D592-L596 WeakPolarHBondContact O-CG 3.31Å; D592-L596 PolarHBondContact O-N 2.87Å
593	V	89.7	Confident	93.1	Very high	45 Å²	45	56.5 Å²	56.5	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-31.1	176.9	-172.9	0	0	0	0	112.1	Y487 V489 S591 L596 E597	Y487-V593 HydrophobicContact CD1-CG2 3.5Å; Y487-V593 HydrophobicContact CE1-CG2 3.37Å; Y487-V593 HydrophobicContact CG-CG2 4.28Å; V489-V593 HydrophobicContact CG2-CG1 4.13Å; S591-V593 PolarHBondContact O-N 2.98Å; V593-L596 PolarHBondContact O-N 2.86Å; V593-E597 WeakPolarHBondContact O-CB 3.39Å; V593-E597 WeakPolarHBondContact O-CG 3.44Å; V593-E597 PolarHBondContact O-N 3.39Å
594	S	92.8	Very high	93	Very high	84 Å²	84	56 Å²	56	59%	0.587	32%	0.319	S	S	*	.	H	α-helix	trans	-69	-39.7	179.6	-59	0	0	0	0	111.1	D592 V598	D592-S594 PolarHBondContact O-N 3.21Å; D592-S594 WeakPolarHBondContact OD1-CA 3.42Å; D592-S594 VanDerWaalsContact OD1-CB 3.31Å; D592-S594 WeakPolarHBondContact OD1-CB 3.29Å; D592-S594 PolarHBondContact OD1-N 3.47Å; S594-V598 WeakPolarHBondContact O-CG2 3.47Å; S594-V598 PolarHBondContact O-N 2.88Å; S594-V598 VanDerWaalsContact O-N 3.12Å
595	Q	94	Very high	93	Very high	104 Å²	104	59 Å²	59	49%	0.486	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-48.1	171.6	-176.6	178.7	-19.1	0	0	111.4	D592 E597 V598 E599	D592-Q595 HydrophobicContact CB-CB 4.07Å; D592-Q595 PolarHBondContact O-N 3.12Å; D592-Q595 VanDerWaalsContact O-N 3.13Å; D592-Q595 PolarHBondContact OD1-N 3.43Å; Q595-E597 VanDerWaalsContact C-N 3.28Å; Q595-E597 PolarHBondContact O-N 3.19Å; Q595-V598 WeakPolarHBondContact O-CB 3.31Å; Q595-V598 PolarHBondContact O-N 2.98Å; Q595-E599 PolarHBondContact NE2-OE1 3.01Å; Q595-E599 PolarHBondContact O-N 3.17Å
596	L	94.8	Very high	93	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-56.6	-42.1	179.2	-63.4	177.8	0	0	0	111.8	Y487 V489 F584 A586 D592 V593 E599 L600	Y487-L596 HydrophobicContact CG-CD1 4.38Å; V489-L596 HydrophobicContact CG2-CB 4.12Å; V489-L596 HydrophobicContact CG2-CD1 4.43Å; F584-L596 HydrophobicContact CD1-CD2 3.75Å; F584-L596 HydrophobicContact CD2-CD2 4.34Å; F584-L596 HydrophobicContact CE1-CD2 3.54Å; F584-L596 HydrophobicContact CE2-CD2 4.15Å; F584-L596 HydrophobicContact CG-CB 4.5Å; F584-L596 HydrophobicContact CG-CD2 4.17Å; F584-L596 HydrophobicContact CZ-CD2 3.75Å; A586-L596 HydrophobicContact CB-CD1 3.62Å; A586-L596 HydrophobicContact CB-CD2 3.83Å; A586-L596 HydrophobicContact CB-CG 4.39Å; D592-L596 WeakPolarHBondContact O-CG 3.31Å; D592-L596 PolarHBondContact O-N 2.87Å; V593-L596 PolarHBondContact O-N 2.86Å; L596-E599 PolarHBondContact O-N 2.66Å; L596-L600 VanDerWaalsContact O-CB 3.29Å; L596-L600 WeakPolarHBondContact O-CB 3.48Å; L596-L600 PolarHBondContact O-N 3.17Å
597	E	95.2	Very high	93.1	Very high	79 Å²	79	58 Å²	58	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-40.8	173.3	-79.8	-172.4	-166.2	0	0	113.6	V489 V593 Q595 R601	V489-E597 HydrophobicContact CG1-CG 3.82Å; V593-E597 WeakPolarHBondContact O-CB 3.39Å; V593-E597 WeakPolarHBondContact O-CG 3.44Å; V593-E597 PolarHBondContact O-N 3.39Å; Q595-E597 VanDerWaalsContact C-N 3.28Å; Q595-E597 PolarHBondContact O-N 3.19Å; E597-R601 WeakPolarHBondContact O-CB 3.27Å; E597-R601 VanDerWaalsContact O-CG 3.31Å; E597-R601 WeakPolarHBondContact O-CG 3.07Å; E597-R601 PolarHBondContact O-N 3.23Å; E597-R601 PolarHBondContact O-NE 3.31Å; E597-R601 IonicContact OE2-CZ 3.63Å; E597-R601 IonicContact OE2-NH1 2.79Å; E597-R601 PolarHBondContact OE2-NH1 2.92Å; E597-R601 IonicContact OE2-NH2 3.55Å
598	V	95.5	Very high	93.3	Very high	62 Å²	62	56 Å²	56	38%	0.376	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-44	177.2	167.1	0	0	0	0	110.5	S594 Q595 R601 K602	S594-V598 WeakPolarHBondContact O-CG2 3.47Å; S594-V598 PolarHBondContact O-N 2.88Å; S594-V598 VanDerWaalsContact O-N 3.12Å; Q595-V598 WeakPolarHBondContact O-CB 3.31Å; Q595-V598 PolarHBondContact O-N 2.98Å; V598-R601 VanDerWaalsContact CG2-NH2 3.35Å; V598-R601 PolarHBondContact O-N 3.37Å; V598-K602 HydrophobicContact CG1-CD 4.5Å; V598-K602 WeakPolarHBondContact O-CG 3.4Å; V598-K602 PolarHBondContact O-N 2.73Å
599	E	94.8	Very high	93.6	Very high	48 Å²	48	56 Å²	56	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-41.8	177.7	-69.1	-172.8	-152.8	0	0	112.2	F584 Q595 L596 R601 K602 V603	F584-E599 HydrophobicContact CD2-CB 4.16Å; F584-E599 HydrophobicContact CE2-CB 3.68Å; F584-E599 WeakPolarHBondContact CE2-OE2 3.3Å; Q595-E599 PolarHBondContact NE2-OE1 3.01Å; Q595-E599 PolarHBondContact O-N 3.17Å; L596-E599 PolarHBondContact O-N 2.66Å; E599-R601 VanDerWaalsContact C-N 3.32Å; E599-R601 PolarHBondContact O-N 3.2Å; E599-K602 PolarHBondContact O-N 3.16Å; E599-V603 PolarHBondContact O-N 2.85Å
600	L	96.8	Very high	94.1	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-41.4	174.1	-174.6	62.2	0	0	0	111.8	V489 K491 V565 F584 L596 V603 T604	V489-L600 HydrophobicContact CB-CD2 4.19Å; V489-L600 HydrophobicContact CG1-CD2 3.76Å; V489-L600 VanDerWaalsContact O-CD2 3.27Å; V489-L600 WeakPolarHBondContact O-CD2 3.17Å; K491-L600 HydrophobicContact CB-CD2 4.44Å; V565-L600 HydrophobicContact CG1-CD1 3.98Å; V565-L600 HydrophobicContact CG2-CD1 4.36Å; F584-L600 HydrophobicContact CB-CB 4.36Å; F584-L600 HydrophobicContact CB-CD1 4.28Å; F584-L600 HydrophobicContact CD2-CB 4.47Å; L596-L600 VanDerWaalsContact O-CB 3.29Å; L596-L600 WeakPolarHBondContact O-CB 3.48Å; L596-L600 PolarHBondContact O-N 3.17Å; L600-V603 PolarHBondContact O-N 2.71Å; L600-T604 WeakPolarHBondContact O-CB 3.38Å; L600-T604 PolarHBondContact O-N 2.89Å; L600-T604 PolarHBondContact O-OG1 2.7Å
601	R	96.6	Very high	94.7	Very high	103 Å²	103	51.9 Å²	51.9	39%	0.389	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-50.4	174.2	-78.6	-177	-71.4	-101.2	-0.9	111.1	E597 V598 E599 V603 T604 D605	E597-R601 WeakPolarHBondContact O-CB 3.27Å; E597-R601 VanDerWaalsContact O-CG 3.31Å; E597-R601 WeakPolarHBondContact O-CG 3.07Å; E597-R601 PolarHBondContact O-N 3.23Å; E597-R601 PolarHBondContact O-NE 3.31Å; E597-R601 IonicContact OE2-CZ 3.63Å; E597-R601 IonicContact OE2-NH1 2.79Å; E597-R601 PolarHBondContact OE2-NH1 2.92Å; E597-R601 IonicContact OE2-NH2 3.55Å; V598-R601 VanDerWaalsContact CG2-NH2 3.35Å; V598-R601 PolarHBondContact O-N 3.37Å; E599-R601 VanDerWaalsContact C-N 3.32Å; E599-R601 PolarHBondContact O-N 3.2Å; R601-V603 PolarHBondContact O-N 3.04Å; R601-T604 WeakPolarHBondContact O-CB 3.49Å; R601-T604 PolarHBondContact O-N 3.36Å; R601-T604 VanDerWaalsContact O-N 3.08Å; R601-D605 PolarHBondContact O-N 3.37Å
602	K	96.2	Very high	95.4	Very high	140 Å²	140	48.3 Å²	48.3	61%	0.609	25%	0.246	S	C	*	.	H	α-helix	trans	-54.2	-48.4	176.7	-71.5	172.4	179.2	179.4	0	112.6	V598 E599 T604 D605 A606	V598-K602 HydrophobicContact CG1-CD 4.5Å; V598-K602 WeakPolarHBondContact O-CG 3.4Å; V598-K602 PolarHBondContact O-N 2.73Å; E599-K602 PolarHBondContact O-N 3.16Å; K602-T604 VanDerWaalsContact C-N 3.34Å; K602-D605 PolarHBondContact O-N 3.21Å; K602-A606 WeakPolarHBondContact O-CB 3.4Å; K602-A606 PolarHBondContact O-N 3.46Å
603	V	96.9	Very high	95.6	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-36.7	178	175	0	0	0	0	111.6	I526 L561 V565 E599 L600 R601 L607	I526-V603 HydrophobicContact CG1-CG2 4.26Å; L561-V603 HydrophobicContact CD2-CB 4.48Å; L561-V603 HydrophobicContact CD2-CG1 3.53Å; L561-V603 HydrophobicContact CD2-CG2 4.04Å; V565-V603 HydrophobicContact CB-CG1 4.4Å; V565-V603 HydrophobicContact CG1-CB 4.27Å; V565-V603 HydrophobicContact CG1-CG1 3.73Å; V565-V603 HydrophobicContact CG2-CG2 4.33Å; E599-V603 PolarHBondContact O-N 2.85Å; L600-V603 PolarHBondContact O-N 2.71Å; R601-V603 PolarHBondContact O-N 3.04Å; V603-L607 VanDerWaalsContact O-CB 3.24Å; V603-L607 WeakPolarHBondContact O-CB 3.5Å; V603-L607 PolarHBondContact O-N 3.38Å
604	T	97.1	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-46.6	175.1	-53.4	0	0	0	0	111.1	K491 Y580 T582 L600 R601 K602 L607 L608	K491-T604 HydrophobicContact CD-CG2 4.16Å; Y580-T604 HydrophobicContact CD2-CG2 4.01Å; Y580-T604 HydrophobicContact CE2-CG2 3.61Å; T582-T604 HydrophobicContact CG2-CG2 4.34Å; T582-T604 PolarHBondContact OG1-OG1 3.45Å; L600-T604 WeakPolarHBondContact O-CB 3.38Å; L600-T604 PolarHBondContact O-N 2.89Å; L600-T604 PolarHBondContact O-OG1 2.7Å; R601-T604 WeakPolarHBondContact O-CB 3.49Å; R601-T604 PolarHBondContact O-N 3.36Å; R601-T604 VanDerWaalsContact O-N 3.08Å; K602-T604 VanDerWaalsContact C-N 3.34Å; T604-L607 WeakPolarHBondContact O-CB 3.47Å; T604-L607 PolarHBondContact O-N 3.42Å; T604-L608 WeakPolarHBondContact O-CG 3.37Å; T604-L608 PolarHBondContact O-N 3.23Å; T604-L608 VanDerWaalsContact O-N 3.08Å
605	D	96.4	Very high	95.9	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-69.7	-41.7	-175.5	-60.8	-25.5	0	0	0	110.1	R601 K602 L607 L608 D609	R601-D605 PolarHBondContact O-N 3.37Å; K602-D605 PolarHBondContact O-N 3.21Å; D605-L607 PolarHBondContact O-N 2.92Å; D605-L608 PolarHBondContact O-N 3.44Å; D605-D609 WeakPolarHBondContact O-CB 3.48Å; D605-D609 PolarHBondContact O-N 3.19Å
606	A	96.9	Very high	96	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-42.8	170.6	0	0	0	0	0	112.9	K602 L608 D609 E610	K602-A606 WeakPolarHBondContact O-CB 3.4Å; K602-A606 PolarHBondContact O-N 3.46Å; A606-L608 VanDerWaalsContact C-N 3.26Å; A606-L608 PolarHBondContact O-N 3.44Å; A606-D609 PolarHBondContact O-N 2.94Å; A606-E610 WeakPolarHBondContact O-CB 3.28Å; A606-E610 WeakPolarHBondContact O-CG 3.5Å; A606-E610 PolarHBondContact O-N 2.89Å
607	L	96.8	Very high	96	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.23	C	C	.	.	I	π-helix	trans	-58.6	-39.2	175.9	-176.3	78.9	0	0	0	111.6	C523 F559 A567 L569 T582 V603 T604 D605 F611 L612	C523-L607 PolarHBondContact SG-N 2.9Å; C523-L607 VanDerWaalsContact SG-N 3.41Å; F559-L607 HydrophobicContact CD2-CD1 4.14Å; F559-L607 HydrophobicContact CE2-CD1 4.22Å; A567-L607 HydrophobicContact CB-CD1 4.14Å; A567-L607 HydrophobicContact CB-CD2 4.05Å; L569-L607 HydrophobicContact CD1-CD1 4.21Å; L569-L607 HydrophobicContact CD2-CD1 4.44Å; L569-L607 HydrophobicContact CD2-CD2 3.79Å; L569-L607 HydrophobicContact CD2-CG 4.03Å; L569-L607 HydrophobicContact CG-CD1 4.23Å; L569-L607 HydrophobicContact CG-CD2 4.32Å; L569-L607 HydrophobicContact CG-CG 4.36Å; T582-L607 HydrophobicContact CG2-CD2 3.84Å; V603-L607 VanDerWaalsContact O-CB 3.24Å; V603-L607 WeakPolarHBondContact O-CB 3.5Å; V603-L607 PolarHBondContact O-N 3.38Å; T604-L607 WeakPolarHBondContact O-CB 3.47Å; T604-L607 PolarHBondContact O-N 3.42Å; D605-L607 PolarHBondContact O-N 2.92Å; L607-F611 HydrophobicContact CD1-CD2 3.55Å; L607-F611 HydrophobicContact CD1-CE2 3.88Å; L607-F611 HydrophobicContact CD1-CG 4.33Å; L607-F611 VanDerWaalsContact O-CB 3.29Å; L607-F611 WeakPolarHBondContact O-CB 3.37Å; L607-F611 PolarHBondContact O-N 3.17Å; L607-L612 PolarHBondContact O-N 3.04Å
608	L	96.3	Very high	95.9	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	25%	0.248	C	C	.	.	I	π-helix	trans	-70.9	-55.9	176.1	-64.7	176.4	0	0	0	110.9	V495 Y580 T604 D605 A606 L612 E613 P614	V495-L608 HydrophobicContact CG1-CD2 4.33Å; Y580-L608 HydrophobicContact CD1-CD2 3.72Å; Y580-L608 HydrophobicContact CD2-CD2 4.33Å; Y580-L608 HydrophobicContact CE1-CD1 4.38Å; Y580-L608 HydrophobicContact CE1-CD2 3.68Å; Y580-L608 HydrophobicContact CE2-CD1 4.23Å; Y580-L608 HydrophobicContact CE2-CD2 4.27Å; Y580-L608 HydrophobicContact CG-CD2 4.05Å; T604-L608 WeakPolarHBondContact O-CG 3.37Å; T604-L608 PolarHBondContact O-N 3.23Å; T604-L608 VanDerWaalsContact O-N 3.08Å; D605-L608 PolarHBondContact O-N 3.44Å; A606-L608 VanDerWaalsContact C-N 3.26Å; A606-L608 PolarHBondContact O-N 3.44Å; L608-L612 HydrophobicContact CD2-CD1 3.72Å; L608-L612 CarbonylContact O-C 3.53Å; L608-L612 WeakPolarHBondContact O-CA 3.46Å; L608-L612 WeakPolarHBondContact O-CB 3.22Å; L608-L612 PolarHBondContact O-N 2.7Å; L608-E613 PolarHBondContact O-N 3.09Å; L608-P614 VanDerWaalsContact O-CD 3.22Å; L608-P614 WeakPolarHBondContact O-CD 3.42Å
609	D	95.7	Very high	95.9	Very high	80 Å²	80	49.1 Å²	49.1	43%	0.428	23%	0.234	S	C	.	.	I	π-helix	trans	-71.6	-38.4	-168.5	-65.3	-16.7	0	0	0	112	D605 A606 E613 R621	D605-D609 WeakPolarHBondContact O-CB 3.48Å; D605-D609 PolarHBondContact O-N 3.19Å; A606-D609 PolarHBondContact O-N 2.94Å; D609-E613 WeakPolarHBondContact O-CA 2.99Å; D609-R621 IonicContact OD1-CZ 3.62Å; D609-R621 IonicContact OD1-NH1 3.7Å; D609-R621 IonicContact OD1-NH2 2.71Å; D609-R621 PolarHBondContact OD1-NH2 3.44Å
610	E	96.2	Very high	95.8	Very high	72 Å²	72	51.5 Å²	51.5	34%	0.336	25%	0.247	S	C	.	.	I	π-helix	trans	-84.2	-43.5	179.1	-60.2	174.9	-170	0	0	113.1	R509 G524 A606	R509-E610 PolarHBondContact NH1-O 3.39Å; R509-E610 PolarHBondContact NH2-O 3.27Å; G524-E610 WeakPolarHBondContact CA-OE1 3.19Å; G524-E610 PolarHBondContact N-OE1 2.75Å; G524-E610 VanDerWaalsContact N-OE1 3.07Å; G524-E610 PolarHBondContact N-OE2 3.03Å; G524-E610 VanDerWaalsContact N-OE2 3.08Å; A606-E610 WeakPolarHBondContact O-CB 3.28Å; A606-E610 WeakPolarHBondContact O-CG 3.5Å; A606-E610 PolarHBondContact O-N 2.89Å
611	F	97.1	Very high	95.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-98.3	-30.9	-169.9	-59.8	7.4	0	0	0	113.2	R509 I510 F513 P520 A522 C523 I528 F559 L569 L607	R509-F611 VanDerWaalsContact NH2-CA 3.29Å; R509-F611 PolarHBondContact NH2-O 3.33Å; I510-F611 HydrophobicContact CD1-CB 4.17Å; I510-F611 HydrophobicContact CG1-CB 4.32Å; F513-F611 HydrophobicContact CE2-CD1 4.11Å; F513-F611 HydrophobicContact CE2-CE1 4.41Å; F513-F611 HydrophobicContact CZ-CD1 4.26Å; F513-F611 HydrophobicContact CZ-CE1 4.2Å; P520-F611 HydrophobicContact CB-CE1 3.75Å; P520-F611 HydrophobicContact CB-CE2 4.09Å; P520-F611 HydrophobicContact CB-CZ 3.42Å; P520-F611 VanDerWaalsContact CB-CZ 3.42Å; P520-F611 HydrophobicContact CG-CD1 4.3Å; P520-F611 HydrophobicContact CG-CD2 4.33Å; P520-F611 HydrophobicContact CG-CE1 3.84Å; P520-F611 HydrophobicContact CG-CE2 3.86Å; P520-F611 HydrophobicContact CG-CZ 3.61Å; A522-F611 WeakPolarHBondContact O-CZ 3.49Å; C523-F611 HydrophobicContact CB-CE1 4.42Å; C523-F611 HydrophobicContact CB-CE2 4.49Å; C523-F611 HydrophobicContact CB-CZ 3.84Å; I528-F611 HydrophobicContact CD1-CE2 4.28Å; I528-F611 HydrophobicContact CD1-CZ 3.91Å; F559-F611 HydrophobicContact CD1-CE2 4.18Å; F559-F611 HydrophobicContact CD2-CD2 4.43Å; F559-F611 HydrophobicContact CD2-CE2 4.08Å; F559-F611 HydrophobicContact CE1-CD2 4.41Å; F559-F611 AromaticContact CE1-CE2 3.86Å; F559-F611 HydrophobicContact CE1-CE2 3.86Å; F559-F611 AromaticContact CE2-CD2 3.76Å; F559-F611 HydrophobicContact CE2-CD2 3.76Å; F559-F611 AromaticContact CE2-CE2 3.75Å; F559-F611 HydrophobicContact CE2-CE2 3.75Å; F559-F611 HydrophobicContact CG-CE2 4.29Å; F559-F611 AromaticContact CZ-CD2 3.74Å; F559-F611 HydrophobicContact CZ-CD2 3.74Å; F559-F611 AromaticContact CZ-CE2 3.63Å; F559-F611 HydrophobicContact CZ-CE2 3.63Å; L569-F611 HydrophobicContact CD1-CB 4.15Å; L569-F611 HydrophobicContact CD1-CD2 4.39Å; L607-F611 HydrophobicContact CD1-CD2 3.55Å; L607-F611 HydrophobicContact CD1-CE2 3.88Å; L607-F611 HydrophobicContact CD1-CG 4.33Å; L607-F611 VanDerWaalsContact O-CB 3.29Å; L607-F611 WeakPolarHBondContact O-CB 3.37Å; L607-F611 PolarHBondContact O-N 3.17Å
612	L	96.5	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-96.3	-23.4	173.2	-57.5	-171.6	0	0	0	113.1	V495 I506 L569 I578 L607 L608 N617 L619	V495-L612 HydrophobicContact CG2-CD1 3.77Å; I506-L612 HydrophobicContact CG2-CD2 3.84Å; L569-L612 HydrophobicContact CD1-CD2 3.86Å; L569-L612 HydrophobicContact CD1-CG 4.46Å; L569-L612 HydrophobicContact CD2-CD1 4.12Å; L569-L612 HydrophobicContact CD2-CD2 4.11Å; L569-L612 HydrophobicContact CD2-CG 4.23Å; I578-L612 HydrophobicContact CD1-CD2 4.35Å; I578-L612 HydrophobicContact CG2-CD1 4.23Å; I578-L612 HydrophobicContact CG2-CD2 4.14Å; L607-L612 PolarHBondContact O-N 3.04Å; L608-L612 HydrophobicContact CD2-CD1 3.72Å; L608-L612 CarbonylContact O-C 3.53Å; L608-L612 WeakPolarHBondContact O-CA 3.46Å; L608-L612 WeakPolarHBondContact O-CB 3.22Å; L608-L612 PolarHBondContact O-N 2.7Å; L612-N617 PolarHBondContact O-ND2 3.15Å; L612-L619 HydrophobicContact CB-CD1 3.85Å; L612-L619 WeakPolarHBondContact O-CD1 3.26Å
613	E	96.4	Very high	92.9	Very high	40 Å²	40	54.7 Å²	54.7	19%	0.187	27%	0.272	C	S	.	.			trans	43.2	59.5	-177	-57.7	174.5	117.6	0	0	111.9	R509 L608 D609 D615 K616 N617	R509-E613 IonicContact CZ-OE1 2.71Å; R509-E613 IonicContact CZ-OE2 2.85Å; R509-E613 IonicContact NE-OE2 3.45Å; R509-E613 PolarHBondContact NE-OE2 3.08Å; R509-E613 IonicContact NH1-OE1 3.54Å; R509-E613 PolarHBondContact NH1-OE1 2.94Å; R509-E613 IonicContact NH1-OE2 3.82Å; R509-E613 PolarHBondContact NH1-OE2 3.05Å; R509-E613 IonicContact NH2-OE2 2.66Å; L608-E613 PolarHBondContact O-N 3.09Å; D609-E613 WeakPolarHBondContact O-CA 2.99Å; E613-D615 VanDerWaalsContact C-N 3.33Å; E613-D615 PolarHBondContact O-N 3.24Å; E613-K616 HydrophobicContact CB-CB 4.07Å; E613-K616 HydrophobicContact CB-CD 4.05Å; E613-K616 VanDerWaalsContact CD-CD 3.46Å; E613-K616 HydrophobicContact CG-CD 4.33Å; E613-K616 PolarHBondContact O-N 3.1Å; E613-K616 VanDerWaalsContact O-N 3.16Å; E613-K616 WeakPolarHBondContact OE1-CD 3.47Å; E613-K616 IonicContact OE1-NZ 2.64Å; E613-K616 PolarHBondContact OE1-NZ 3.04Å; E613-K616 WeakPolarHBondContact OE2-CD 3.08Å; E613-K616 IonicContact OE2-NZ 2.71Å; E613-K616 PolarHBondContact OE2-NZ 3.29Å; E613-N617 PolarHBondContact O-N 3.37Å; E613-N617 PolarHBondContact O-ND2 3.23Å
614	P	94.8	Very high	90.6	Very high	4 Å²	4	64 Å²	64	3%	0.026	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.9	-163.3	20.1	-33	0	0	0	113.9	L608 N617 H618 L619 R621	L608-P614 VanDerWaalsContact O-CD 3.22Å; L608-P614 WeakPolarHBondContact O-CD 3.42Å; P614-N617 CarbonylContact O-C 3.52Å; P614-N617 PolarHBondContact O-N 2.82Å; P614-H618 CarbonylContact O-C 3.59Å; P614-H618 WeakPolarHBondContact O-CA 3.47Å; P614-H618 PolarHBondContact O-N 3.26Å; P614-L619 HydrophobicContact CB-CB 3.91Å; P614-L619 HydrophobicContact CB-CD1 4.35Å; P614-L619 HydrophobicContact CB-CG 4.42Å; P614-L619 PolarHBondContact O-N 3.28Å; P614-R621 VanDerWaalsContact CG-NH2 3.3Å
615	D	93.4	Very high	90.2	Very high	130 Å²	130	67.2 Å²	67.2	70%	0.695	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-40.8	-178.4	-55.4	-37.7	0	0	0	111.9	E613 H618	E613-D615 VanDerWaalsContact C-N 3.33Å; E613-D615 PolarHBondContact O-N 3.24Å; D615-H618 PolarHBondContact O-N 3.18Å; D615-H618 PolarHBondContact O-ND1 3.07Å
616	K	95.4	Very high	89.9	Confident	129 Å²	129	67.2 Å²	67.2	56%	0.561	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-31	177.6	-178.4	-168	177.8	-167.9	0	112.7	E613	E613-K616 HydrophobicContact CB-CB 4.07Å; E613-K616 HydrophobicContact CB-CD 4.05Å; E613-K616 VanDerWaalsContact CD-CD 3.46Å; E613-K616 HydrophobicContact CG-CD 4.33Å; E613-K616 PolarHBondContact O-N 3.1Å; E613-K616 VanDerWaalsContact O-N 3.16Å; E613-K616 WeakPolarHBondContact OE1-CD 3.47Å; E613-K616 IonicContact OE1-NZ 2.64Å; E613-K616 PolarHBondContact OE1-NZ 3.04Å; E613-K616 WeakPolarHBondContact OE2-CD 3.08Å; E613-K616 IonicContact OE2-NZ 2.71Å; E613-K616 PolarHBondContact OE2-NZ 3.29Å
617	N	95.4	Very high	89.5	Confident	9 Å²	9	70.1 Å²	70.1	5%	0.048	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.4	178.8	-70.7	-55	0	0	0	113.4	T502 R505 I506 L612 E613 P614 L619	T502-N617 HydrophobicContact CG2-CB 3.79Å; R505-N617 PolarHBondContact NH2-OD1 2.95Å; I506-N617 HydrophobicContact CD1-CB 3.98Å; I506-N617 HydrophobicContact CG1-CB 4.38Å; L612-N617 PolarHBondContact O-ND2 3.15Å; E613-N617 PolarHBondContact O-N 3.37Å; E613-N617 PolarHBondContact O-ND2 3.23Å; P614-N617 CarbonylContact O-C 3.52Å; P614-N617 PolarHBondContact O-N 2.82Å; N617-L619 VanDerWaalsContact C-N 3.26Å; N617-L619 HydrophobicContact CB-CD1 4.22Å; N617-L619 HydrophobicContact CB-CD2 4.05Å; N617-L619 HydrophobicContact CB-CG 3.82Å; N617-L619 PolarHBondContact O-N 3.02Å
618	H	93.9	Very high	89.1	Confident	165 Å²	165	74.2 Å²	74.2	76%	0.764	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.4	-179.4	-51.7	-47	0	0	0	114	P614 D615	P614-H618 CarbonylContact O-C 3.59Å; P614-H618 WeakPolarHBondContact O-CA 3.47Å; P614-H618 PolarHBondContact O-N 3.26Å; D615-H618 PolarHBondContact O-N 3.18Å; D615-H618 PolarHBondContact O-ND1 3.07Å
619	L	94.3	Very high	88.6	Confident	12 Å²	12	78.4 Å²	78.4	6%	0.063	40%	0.399	C	S	.	.			trans	-82.8	130.2	-179.7	-50.2	-177.9	0	0	0	110.6	V495 T496 C497 T502 I506 L612 P614 N617 R621	V495-L619 HydrophobicContact CB-CB 4.2Å; V495-L619 HydrophobicContact CG2-CB 4.19Å; V495-L619 HydrophobicContact CG2-CD1 3.91Å; T496-L619 WeakPolarHBondContact O-CA 3.39Å; C497-L619 HydrophobicContact CB-CD2 3.63Å; C497-L619 VanDerWaalsContact SG-CD2 3.53Å; T502-L619 HydrophobicContact CG2-CD2 4.33Å; I506-L619 HydrophobicContact CD1-CD1 3.93Å; I506-L619 HydrophobicContact CD1-CD2 4.11Å; L612-L619 HydrophobicContact CB-CD1 3.85Å; L612-L619 WeakPolarHBondContact O-CD1 3.26Å; P614-L619 HydrophobicContact CB-CB 3.91Å; P614-L619 HydrophobicContact CB-CD1 4.35Å; P614-L619 HydrophobicContact CB-CG 4.42Å; P614-L619 PolarHBondContact O-N 3.28Å; N617-L619 VanDerWaalsContact C-N 3.26Å; N617-L619 HydrophobicContact CB-CD1 4.22Å; N617-L619 HydrophobicContact CB-CD2 4.05Å; N617-L619 HydrophobicContact CB-CG 3.82Å; N617-L619 PolarHBondContact O-N 3.02Å; L619-R621 PolarHBondContact O-N 3.01Å
620	I	93.1	Very high	88.2	Confident	98 Å²	98	78.3 Å²	78.3	50%	0.503	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.2	180	-52.4	169.7	0	0	0	108.4	V495 T496	V495-I620 CarbonylContact C-O 3.15Å; V495-I620 WeakPolarHBondContact CA-O 3.2Å; T496-I620 PolarHBondContact N-O 3.27Å; T496-I620 PolarHBondContact O-N 3.16Å
621	R	88.1	Confident	87.6	Confident	106 Å²	106	78.8 Å²	78.8	40%	0.4	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.6	172.4	-58.4	-173.1	-169.8	-141.4	-1.4	109.7	V495 D609 P614 L619 S623	V495-R621 HydrophobicContact CG1-CG 4.47Å; D609-R621 IonicContact OD1-CZ 3.62Å; D609-R621 IonicContact OD1-NH1 3.7Å; D609-R621 IonicContact OD1-NH2 2.71Å; D609-R621 PolarHBondContact OD1-NH2 3.44Å; P614-R621 VanDerWaalsContact CG-NH2 3.3Å; L619-R621 PolarHBondContact O-N 3.01Å; R621-S623 PolarHBondContact O-N 3.34Å
622	R	80.3	Confident	86.9	Confident	97 Å²	97	84.8 Å²	84.8	37%	0.366	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-56.4	125.8	170.8	-178	-177.6	-178.7	163.7	5.8	108.4	E311 Y494 V624	E311-R622 IonicContact OE2-CZ 3.53Å; E311-R622 IonicContact OE2-NH2 3.31Å; E311-R622 PolarHBondContact OE2-NH2 3.03Å; Y494-R622 HydrophobicContact CE1-CG 4.38Å; Y494-R622 HydrophobicContact CE2-CB 4.21Å; Y494-R622 HydrophobicContact CE2-CG 4.41Å; R622-V624 PolarHBondContact O-N 2.95Å
623	S	59.5	Low	86.1	Confident	113 Å²	113	91.9 Å²	91.9	79%	0.79	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-62.2	117	163.8	-53.7	0	0	0	0	107.8	R621	R621-S623 PolarHBondContact O-N 3.34Å
624	V	48.4	Very low	85.1	Confident	200 Å²	200	96.6 Å²	96.6	100%	1.212	49%	0.493	S	S	*	.			trans	-85.5	0	177.3	-174.8	0	0	0	0	108.8	R622	R622-V624 PolarHBondContact O-N 2.95Å

Retrieved 624 of 624 residues in 334.3 ms (Link to these results)

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