A0A087XHZ5_POEFO Loading...

Dipeptidase

Independently of its dipeptidase activity, acts as an adhesion receptor for neutrophil recruitment from bloodstream into inflamed lungs and liver.

AlphaFold DB , UniProt , Accession A0A087XHZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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	49.5	Very low	50.4	Low	226 Å²	226	122.7 Å²	122.7	100%	1.113	66%	0.662	S	S	*	*				0	130.8	0	-74.6	163	86.4	0	0	107.7
2	S	45.7	Very low	50.6	Low	61 Å²	61	117.7 Å²	117.7	43%	0.427	65%	0.649	S	S	.	*			trans	-72.1	148.4	-167.6	96.4	0	0	0	0	112.1	R4 L5	S2-R4 PolarHBondContact O-N 3.18Å; S2-R4 PolarHBondContact OG-N 3.42Å; S2-L5 PolarHBondContact O-N 3.2Å
3	P	53.1	Low	50.5	Low	109 Å²	109	118.1 Å²	118.1	71%	0.708	65%	0.649	S	S	*	*	H	α-helix	trans	-62.7	-9.1	-179.8	23	-31.9	0	0	0	114
4	R	51.8	Low	50.3	Low	213 Å²	213	123.5 Å²	123.5	80%	0.804	66%	0.655	S	S	*	*	H	α-helix	trans	-77.1	-22.1	173.4	-70.5	-175	174.9	-179.8	-1.9	113.5	S2	S2-R4 PolarHBondContact O-N 3.18Å; S2-R4 PolarHBondContact OG-N 3.42Å
5	L	47.9	Very low	50.4	Low	111 Å²	111	123.1 Å²	123.1	58%	0.581	65%	0.652	S	S	*	*	H	α-helix	trans	-81.1	-27.6	178	-109.8	85.1	0	0	0	113.4	S2 S9	S2-L5 PolarHBondContact O-N 3.2Å; L5-S9 PolarHBondContact O-OG 2.93Å
6	M	49.9	Very low	50.3	Low	145 Å²	145	120.3 Å²	120.3	71%	0.714	65%	0.645	S	S	*	*	H	α-helix	trans	-76.1	-26.3	177.9	-74.5	-173.5	95.2	0	0	113.3	C10	M6-C10 PolarHBondContact O-N 2.99Å; M6-C10 PolarHBondContact O-SG 3.22Å; M6-C10 VanDerWaalsContact O-SG 3.39Å
7	L	49	Very low	49.8	Very low	134 Å²	134	118.4 Å²	118.4	70%	0.702	64%	0.642	S	S	*	*	H	α-helix	trans	-73.3	-33.5	177.2	-113.8	82.6	0	0	0	112.8	L11	L7-L11 PolarHBondContact O-N 3.04Å
8	S	50.9	Low	49.5	Very low	87 Å²	87	115.8 Å²	115.8	61%	0.608	63%	0.633	S	S	*	*	H	α-helix	trans	-73.4	-34.3	179	-80.2	0	0	0	0	113.2	A12	S8-A12 PolarHBondContact O-N 2.62Å
9	S	50.5	Low	49.1	Very low	62 Å²	62	114 Å²	114	43%	0.434	64%	0.635	S	S	.	*	H	α-helix	trans	-74.2	-33.6	176.1	21.9	0	0	0	0	112.6	L5 L13	L5-S9 PolarHBondContact O-OG 2.93Å; S9-L13 VanDerWaalsContact O-CD1 3.28Å; S9-L13 WeakPolarHBondContact O-CD1 3.14Å; S9-L13 PolarHBondContact O-N 2.79Å; S9-L13 VanDerWaalsContact O-N 3.13Å
10	C	52.8	Low	48.8	Very low	85 Å²	85	114.3 Å²	114.3	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-69.3	-34.8	172.9	-71.3	0	0	0	0	112.8	M6 W14	M6-C10 PolarHBondContact O-N 2.99Å; M6-C10 PolarHBondContact O-SG 3.22Å; M6-C10 VanDerWaalsContact O-SG 3.39Å; C10-W14 WeakPolarHBondContact O-CB 3.5Å; C10-W14 PolarHBondContact O-N 3.27Å
11	L	53.2	Low	48.8	Very low	117 Å²	117	113.4 Å²	113.4	61%	0.613	64%	0.637	S	S	*	*	H	α-helix	trans	-72.6	-36.9	178	-147.3	77.8	0	0	0	112.3	L7 W14 I15	L7-L11 PolarHBondContact O-N 3.04Å; L11-W14 PolarHBondContact O-N 3.11Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.2Å
12	A	52.7	Low	48.7	Very low	62 Å²	62	110.8 Å²	110.8	51%	0.512	63%	0.627	S	S	.	*	H	α-helix	trans	-69	-37.5	175.3	0	0	0	0	0	112.6	S8 S16	S8-A12 PolarHBondContact O-N 2.62Å; A12-S16 WeakPolarHBondContact O-CB 3.3Å; A12-S16 PolarHBondContact O-N 3.15Å
13	L	49.8	Very low	48.9	Very low	123 Å²	123	112.6 Å²	112.6	64%	0.644	65%	0.645	S	S	*	*	H	α-helix	trans	-71.3	-30.2	172.5	-95.1	107.5	0	0	0	112.9	S9 C17	S9-L13 VanDerWaalsContact O-CD1 3.28Å; S9-L13 WeakPolarHBondContact O-CD1 3.14Å; S9-L13 PolarHBondContact O-N 2.79Å; S9-L13 VanDerWaalsContact O-N 3.13Å; L13-C17 VanDerWaalsContact O-CB 3.29Å; L13-C17 WeakPolarHBondContact O-CB 3.43Å; L13-C17 PolarHBondContact O-N 2.64Å
14	W	47.5	Very low	49.3	Very low	194 Å²	194	114.3 Å²	114.3	74%	0.735	64%	0.644	S	S	*	*	H	α-helix	trans	-71.3	-41.8	174.3	-123.1	55.3	0	0	0	112.3	C10 L11 S16 C17 C18	C10-W14 WeakPolarHBondContact O-CB 3.5Å; C10-W14 PolarHBondContact O-N 3.27Å; L11-W14 PolarHBondContact O-N 3.11Å; W14-S16 VanDerWaalsContact C-N 3.32Å; W14-S16 PolarHBondContact O-N 3.49Å; W14-C17 PolarHBondContact O-N 2.85Å; W14-C18 WeakPolarHBondContact O-CB 3.42Å; W14-C18 PolarHBondContact O-N 3.01Å; W14-C18 PolarHBondContact O-SG 3.34Å; W14-C18 VanDerWaalsContact O-SG 3.39Å
15	I	51.4	Low	50.9	Low	118 Å²	118	107.3 Å²	107.3	61%	0.605	62%	0.622	S	S	*	*	H	α-helix	trans	-67.3	-35.8	175.4	-65	166.3	0	0	0	110.7	L11 A19	L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.2Å; I15-A19 WeakPolarHBondContact O-CB 3.43Å; I15-A19 PolarHBondContact O-N 3.39Å; I15-A19 VanDerWaalsContact O-N 3.15Å
16	S	48.4	Very low	53.1	Low	77 Å²	77	106 Å²	106	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-74.8	-29.2	174.7	-167	0	0	0	0	113.8	A12 W14 V20	A12-S16 WeakPolarHBondContact O-CB 3.3Å; A12-S16 PolarHBondContact O-N 3.15Å; W14-S16 VanDerWaalsContact C-N 3.32Å; W14-S16 PolarHBondContact O-N 3.49Å; S16-V20 WeakPolarHBondContact O-CG2 3.43Å
17	C	42.8	Very low	55.4	Low	88 Å²	88	102.7 Å²	102.7	60%	0.595	60%	0.604	S	S	*	*	H	α-helix	trans	-76.6	-34.9	172.9	-98.3	0	0	0	0	112.4	L13 W14 V20	L13-C17 VanDerWaalsContact O-CB 3.29Å; L13-C17 WeakPolarHBondContact O-CB 3.43Å; L13-C17 PolarHBondContact O-N 2.64Å; W14-C17 PolarHBondContact O-N 2.85Å; C17-V20 PolarHBondContact O-N 3.02Å
18	C	43.2	Very low	57.8	Low	73 Å²	73	98.3 Å²	98.3	49%	0.493	58%	0.581	S	S	.	*	H	α-helix	trans	-73	-27	175.7	-73.2	0	0	0	0	113	W14 V20 T21	W14-C18 WeakPolarHBondContact O-CB 3.42Å; W14-C18 PolarHBondContact O-N 3.01Å; W14-C18 PolarHBondContact O-SG 3.34Å; W14-C18 VanDerWaalsContact O-SG 3.39Å; C18-V20 PolarHBondContact O-N 3.02Å; C18-T21 PolarHBondContact O-N 2.86Å; C18-T21 PolarHBondContact O-OG1 3.13Å
19	A	43.3	Very low	60	Low	81 Å²	81	96 Å²	96	67%	0.669	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-12.6	175.1	0	0	0	0	0	114.3	I15	I15-A19 WeakPolarHBondContact O-CB 3.43Å; I15-A19 PolarHBondContact O-N 3.39Å; I15-A19 VanDerWaalsContact O-N 3.15Å
20	V	43	Very low	62.3	Low	119 Å²	119	97 Å²	97	72%	0.721	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-0.9	-179.7	-177.3	0	0	0	0	112	S16 C17 C18	S16-V20 WeakPolarHBondContact O-CG2 3.43Å; C17-V20 PolarHBondContact O-N 3.02Å; C18-V20 PolarHBondContact O-N 3.02Å
21	T	48.4	Very low	64.5	Low	96 Å²	96	93 Å²	93	59%	0.589	53%	0.531	S	S	*	.	S	Bend	trans	-117.7	113.7	176.8	48.5	0	0	0	0	110.2	C18	C18-T21 PolarHBondContact O-N 2.86Å; C18-T21 PolarHBondContact O-OG1 3.13Å
22	L	46.4	Very low	66.6	Low	171 Å²	171	90.9 Å²	90.9	90%	0.895	52%	0.518	S	S	*	.			trans	88.4	53.3	-176.6	-51.4	165.2	0	0	0	115.5	E24	L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 3.33Å
23	A	50.9	Low	68.8	Low	99 Å²	99	90.7 Å²	90.7	82%	0.818	51%	0.508	S	S	*	.			trans	-67.8	105.7	140.5	0	0	0	0	0	105.8	D25	A23-D25 PolarHBondContact O-N 2.63Å
24	E	60.6	Low	71.1	Confident	145 Å²	145	84.8 Å²	84.8	68%	0.678	48%	0.478	S	S	*	.			trans	-50.7	125.3	170	-168.3	177	165.6	0	0	107.9	L22 S26 T29	L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 3.33Å; E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 3.07Å; E24-T29 WeakPolarHBondContact CG-OG1 3.28Å; E24-T29 PolarHBondContact OE1-OG1 3.39Å
25	D	87.1	Confident	73.5	Confident	66 Å²	66	75.7 Å²	75.7	35%	0.353	44%	0.443	S	S	.	.			trans	-65.1	97.4	179.5	-177.9	-2.1	0	0	0	108	A23 F27 L28 T29 R336	A23-D25 PolarHBondContact O-N 2.63Å; D25-F27 PolarHBondContact O-N 3.49Å; D25-F27 VanDerWaalsContact O-N 3.11Å; D25-F27 PolarHBondContact OD1-N 3Å; D25-L28 HydrophobicContact CB-CB 3.94Å; D25-L28 WeakPolarHBondContact O-CB 3.29Å; D25-L28 PolarHBondContact O-N 2.98Å; D25-T29 PolarHBondContact O-N 3.23Å; D25-R336 IonicContact OD1-NH2 3.45Å; D25-R336 PolarHBondContact OD1-NH2 2.84Å; D25-R336 IonicContact OD2-NH2 3.6Å; D25-R336 PolarHBondContact OD2-NH2 3.13Å
26	S	94	Very high	75.7	Confident	83 Å²	83	76.1 Å²	76.1	58%	0.58	44%	0.441	S	S	*	.	H	α-helix	trans	-58.9	-27.7	-173.7	58.2	0	0	0	0	112.2	E24 R30	E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 3.07Å; S26-R30 VanDerWaalsContact O-CB 3.3Å; S26-R30 WeakPolarHBondContact O-CB 3.39Å; S26-R30 PolarHBondContact O-N 3.06Å
27	F	98.1	Very high	78	Confident	76 Å²	76	77.6 Å²	77.6	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-72.4	-39.5	174.3	-66.7	-64.5	0	0	0	112.1	D25 R30 A31 A332 L335 R336	D25-F27 PolarHBondContact O-N 3.49Å; D25-F27 VanDerWaalsContact O-N 3.11Å; D25-F27 PolarHBondContact OD1-N 3Å; F27-R30 PolarHBondContact O-N 3.26Å; F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.43Å; F27-A31 PolarHBondContact O-N 2.99Å; F27-A332 HydrophobicContact CB-CB 4.14Å; F27-L335 HydrophobicContact CD1-CB 3.7Å; F27-L335 HydrophobicContact CE1-CB 4.37Å; F27-R336 HydrophobicContact CD2-CB 4.08Å; F27-R336 HydrophobicContact CD2-CG 4.22Å; F27-R336 HydrophobicContact CE2-CB 4.16Å; F27-R336 HydrophobicContact CE2-CG 4.02Å; F27-R336 HydrophobicContact CG-CB 4.28Å; F27-R336 HydrophobicContact CZ-CB 4.44Å
28	L	98.2	Very high	80.5	Confident	42 Å²	42	74.2 Å²	74.2	22%	0.22	42%	0.415	C	S	.	.	H	α-helix	trans	-67.2	-43.1	175.6	-177.2	60.8	0	0	0	111.4	D25 R30 A31 Q32 P328 A332	D25-L28 HydrophobicContact CB-CB 3.94Å; D25-L28 WeakPolarHBondContact O-CB 3.29Å; D25-L28 PolarHBondContact O-N 2.98Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-R30 PolarHBondContact O-N 2.91Å; L28-A31 WeakPolarHBondContact O-CB 3.32Å; L28-A31 PolarHBondContact O-N 3.38Å; L28-Q32 HydrophobicContact CD1-CG 4.5Å; L28-Q32 VanDerWaalsContact O-CG 3.32Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 2.63Å; L28-P328 HydrophobicContact CD1-CB 3.92Å; L28-A332 HydrophobicContact CB-CB 4.24Å; L28-A332 HydrophobicContact CD1-CB 4.31Å
29	T	97.9	Very high	83	Confident	40 Å²	40	71.9 Å²	71.9	25%	0.245	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-44.6	174.1	-58.1	0	0	0	0	110.5	E24 D25 A31 Q32 D33	E24-T29 WeakPolarHBondContact CG-OG1 3.28Å; E24-T29 PolarHBondContact OE1-OG1 3.39Å; D25-T29 PolarHBondContact O-N 3.23Å; T29-A31 PolarHBondContact O-N 2.95Å; T29-Q32 PolarHBondContact O-N 3.13Å; T29-D33 PolarHBondContact O-N 2.81Å; T29-D33 VanDerWaalsContact O-N 3.11Å
30	R	98.3	Very high	85.6	Confident	83 Å²	83	68 Å²	68	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-43.5	176.5	-176.2	57.3	179.4	160.2	-5.5	112.3	S26 F27 L28 Q32 D33 L34 L335 D341	S26-R30 VanDerWaalsContact O-CB 3.3Å; S26-R30 WeakPolarHBondContact O-CB 3.39Å; S26-R30 PolarHBondContact O-N 3.06Å; F27-R30 PolarHBondContact O-N 3.26Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-R30 PolarHBondContact O-N 2.91Å; R30-Q32 VanDerWaalsContact C-N 3.34Å; R30-Q32 PolarHBondContact O-N 3.21Å; R30-D33 PolarHBondContact O-N 3.19Å; R30-L34 HydrophobicContact CG-CD1 4.23Å; R30-L34 HydrophobicContact CG-CG 4.41Å; R30-L34 WeakPolarHBondContact O-CG 3.43Å; R30-L34 PolarHBondContact O-N 3.35Å; R30-L335 HydrophobicContact CB-CD1 3.96Å; R30-L335 HydrophobicContact CG-CD1 3.81Å; R30-D341 IonicContact CZ-OD1 3.74Å; R30-D341 IonicContact CZ-OD2 2.64Å; R30-D341 IonicContact NE-OD1 3.82Å; R30-D341 PolarHBondContact NE-OD1 3.39Å; R30-D341 VanDerWaalsContact NE-OD1 3.11Å; R30-D341 IonicContact NE-OD2 3.35Å; R30-D341 PolarHBondContact NE-OD2 3.18Å; R30-D341 VanDerWaalsContact NH2-CG 3.3Å; R30-D341 IonicContact NH2-OD1 2.79Å; R30-D341 IonicContact NH2-OD2 2.62Å; R30-D341 PolarHBondContact NH2-OD2 3.38Å
31	A	98.6	Very high	88.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-55.8	-49.3	176	0	0	0	0	0	111.4	F27 L28 T29 D33 L34 M35 V331 A332 L335	F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.43Å; F27-A31 PolarHBondContact O-N 2.99Å; L28-A31 WeakPolarHBondContact O-CB 3.32Å; L28-A31 PolarHBondContact O-N 3.38Å; T29-A31 PolarHBondContact O-N 2.95Å; A31-D33 VanDerWaalsContact C-N 3.28Å; A31-D33 PolarHBondContact O-N 3.13Å; A31-L34 PolarHBondContact O-N 3.45Å; A31-M35 WeakPolarHBondContact O-CB 3.28Å; A31-M35 VanDerWaalsContact O-CG 3.27Å; A31-M35 WeakPolarHBondContact O-CG 3.5Å; A31-M35 PolarHBondContact O-N 3.2Å; A31-V331 HydrophobicContact CB-CB 3.82Å; A31-V331 HydrophobicContact CB-CG1 3.52Å; A31-A332 HydrophobicContact CB-CB 4.1Å; A31-L335 HydrophobicContact CB-CD1 4.08Å
32	Q	98.4	Very high	90.7	Very high	72 Å²	72	57.9 Å²	57.9	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-34	179.9	-71.6	174	-4	0	0	113.2	L28 T29 R30 K36 Q81 P328	L28-Q32 HydrophobicContact CD1-CG 4.5Å; L28-Q32 VanDerWaalsContact O-CG 3.32Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 2.63Å; T29-Q32 PolarHBondContact O-N 3.13Å; R30-Q32 VanDerWaalsContact C-N 3.34Å; R30-Q32 PolarHBondContact O-N 3.21Å; Q32-K36 WeakPolarHBondContact O-CE 3.23Å; Q32-K36 VanDerWaalsContact O-CG 3.28Å; Q32-K36 WeakPolarHBondContact O-CG 3.32Å; Q32-K36 PolarHBondContact O-N 2.96Å; Q32-Q81 PolarHBondContact O-NE2 3.34Å; Q32-Q81 VanDerWaalsContact O-NE2 3.13Å; Q32-P328 HydrophobicContact CG-CB 4.23Å
33	D	98.3	Very high	93.2	Very high	58 Å²	58	49.8 Å²	49.8	31%	0.31	26%	0.263	S	S	.	.	H	α-helix	trans	-71.6	-44.7	175.7	-72.7	-18.5	0	0	0	111.8	T29 R30 A31 M35 K36 E37	T29-D33 PolarHBondContact O-N 2.81Å; T29-D33 VanDerWaalsContact O-N 3.11Å; R30-D33 PolarHBondContact O-N 3.19Å; A31-D33 VanDerWaalsContact C-N 3.28Å; A31-D33 PolarHBondContact O-N 3.13Å; D33-M35 VanDerWaalsContact C-N 3.28Å; D33-M35 PolarHBondContact O-N 3.26Å; D33-K36 WeakPolarHBondContact O-CB 3.44Å; D33-K36 PolarHBondContact O-N 3.33Å; D33-K36 VanDerWaalsContact O-N 3.09Å; D33-K36 IonicContact OD1-NZ 3.37Å; D33-K36 PolarHBondContact OD1-NZ 2.93Å; D33-E37 WeakPolarHBondContact O-CG 3.36Å; D33-E37 PolarHBondContact O-N 3.22Å; D33-E37 VanDerWaalsContact O-N 3.13Å
34	L	98.6	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-39.7	174.3	-66.3	174.3	0	0	0	111.8	R30 A31 K36 E37 T38 L335 D341 V344 K345 L348	R30-L34 HydrophobicContact CG-CD1 4.23Å; R30-L34 HydrophobicContact CG-CG 4.41Å; R30-L34 WeakPolarHBondContact O-CG 3.43Å; R30-L34 PolarHBondContact O-N 3.35Å; A31-L34 PolarHBondContact O-N 3.45Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 3.09Å; L34-E37 PolarHBondContact O-N 3.11Å; L34-T38 PolarHBondContact O-N 3.34Å; L34-L335 HydrophobicContact CD1-CD1 4.05Å; L34-L335 HydrophobicContact CD1-CD2 3.92Å; L34-L335 HydrophobicContact CD1-CG 4.48Å; L34-D341 HydrophobicContact CD1-CB 4.36Å; L34-D341 WeakPolarHBondContact CD1-OD1 3.32Å; L34-D341 HydrophobicContact CD2-CB 3.8Å; L34-V344 HydrophobicContact CD1-CB 4.13Å; L34-V344 HydrophobicContact CD1-CG1 3.73Å; L34-K345 HydrophobicContact CD2-CD 4.35Å; L34-K345 VanDerWaalsContact CD2-CE 3.5Å; L34-K345 HydrophobicContact CD2-CG 4.28Å; L34-L348 HydrophobicContact CB-CD1 4.31Å
35	M	98.4	Very high	97.3	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-71	-21.6	177.4	-68.1	177.9	84.9	0	0	113.5	A31 D33 T38 P39 L40 G80 Q81 P328 V331 L348	A31-M35 WeakPolarHBondContact O-CB 3.28Å; A31-M35 VanDerWaalsContact O-CG 3.27Å; A31-M35 WeakPolarHBondContact O-CG 3.5Å; A31-M35 PolarHBondContact O-N 3.2Å; D33-M35 VanDerWaalsContact C-N 3.28Å; D33-M35 PolarHBondContact O-N 3.26Å; M35-T38 CarbonylContact O-C 3.35Å; M35-P39 VanDerWaalsContact O-CA 3.32Å; M35-P39 WeakPolarHBondContact O-CA 3.45Å; M35-L40 HydrophobicContact CE-CB 3.89Å; M35-L40 HydrophobicContact CE-CD1 3.91Å; M35-G80 WeakPolarHBondContact CE-O 3.47Å; M35-Q81 HydrophobicContact CB-CB 4.11Å; M35-Q81 HydrophobicContact CE-CB 4.02Å; M35-P328 HydrophobicContact CE-CG 4.24Å; M35-P328 HydrophobicContact SD-CB 4.03Å; M35-P328 HydrophobicContact SD-CG 3.86Å; M35-V331 HydrophobicContact CG-CG2 4.44Å; M35-V331 HydrophobicContact SD-CB 4.34Å; M35-V331 HydrophobicContact SD-CG2 3.93Å; M35-L348 HydrophobicContact CE-CD2 4.24Å; M35-L348 HydrophobicContact CG-CD1 3.89Å; M35-L348 HydrophobicContact CG-CD2 3.77Å; M35-L348 HydrophobicContact SD-CD2 4.48Å
36	K	96.7	Very high	97.9	Very high	127 Å²	127	35.4 Å²	35.4	55%	0.552	18%	0.177	S	C	*	.	H	α-helix	trans	-74.9	-35.9	168.6	-69.1	163.1	-158.2	157.4	0	111.5	Q32 D33 L34	Q32-K36 WeakPolarHBondContact O-CE 3.23Å; Q32-K36 VanDerWaalsContact O-CG 3.28Å; Q32-K36 WeakPolarHBondContact O-CG 3.32Å; Q32-K36 PolarHBondContact O-N 2.96Å; D33-K36 WeakPolarHBondContact O-CB 3.44Å; D33-K36 PolarHBondContact O-N 3.33Å; D33-K36 VanDerWaalsContact O-N 3.09Å; D33-K36 IonicContact OD1-NZ 3.37Å; D33-K36 PolarHBondContact OD1-NZ 2.93Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 3.09Å
37	E	96.4	Very high	98.1	Very high	108 Å²	108	31.5 Å²	31.5	51%	0.505	15%	0.15	S	C	.	.	H	α-helix	trans	-75.8	-44.5	179.8	-67.1	175.7	-154.2	0	0	112	D33 L34 K345	D33-E37 WeakPolarHBondContact O-CG 3.36Å; D33-E37 PolarHBondContact O-N 3.22Å; D33-E37 VanDerWaalsContact O-N 3.13Å; L34-E37 PolarHBondContact O-N 3.11Å; E37-K345 WeakPolarHBondContact OE2-CE 3.32Å; E37-K345 IonicContact OE2-NZ 2.71Å; E37-K345 PolarHBondContact OE2-NZ 2.84Å
38	T	97	Very high	98.2	Very high	16 Å²	16	27.9 Å²	27.9	10%	0.098	13%	0.134	C	C	.	.	S	Bend	trans	-126.3	92.2	177	-56.4	0	0	0	0	108.7	L34 M35 K345 L348	L34-T38 PolarHBondContact O-N 3.34Å; M35-T38 CarbonylContact O-C 3.35Å; T38-K345 HydrophobicContact CG2-CB 4.42Å; T38-K345 WeakPolarHBondContact OG1-CG 3.48Å; T38-L348 HydrophobicContact CG2-CB 4.1Å
39	P	95	Very high	98.2	Very high	25 Å²	25	28.7 Å²	28.7	16%	0.162	14%	0.135	C	C	.	.			trans	-58.7	142	179.8	-25.9	35.6	0	0	0	112.7	M35 F135	M35-P39 VanDerWaalsContact O-CA 3.32Å; M35-P39 WeakPolarHBondContact O-CA 3.45Å; P39-F135 HydrophobicContact CB-CD1 4.08Å; P39-F135 HydrophobicContact CB-CD2 4.17Å; P39-F135 HydrophobicContact CB-CE1 3.9Å; P39-F135 HydrophobicContact CB-CE2 3.96Å; P39-F135 HydrophobicContact CB-CG 4.22Å; P39-F135 HydrophobicContact CB-CZ 3.81Å; P39-F135 HydrophobicContact CG-CB 4.35Å; P39-F135 HydrophobicContact CG-CD1 4.18Å; P39-F135 HydrophobicContact CG-CD2 3.78Å; P39-F135 HydrophobicContact CG-CE1 4.43Å; P39-F135 HydrophobicContact CG-CE2 4.02Å; P39-F135 HydrophobicContact CG-CG 3.85Å; P39-F135 HydrophobicContact CG-CZ 4.34Å
40	L	98.5	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.5	-179.2	-176.7	146.4	0	0	0	111.1	M35 D42 I82 G83 A84 F307 Y327 L348	M35-L40 HydrophobicContact CE-CB 3.89Å; M35-L40 HydrophobicContact CE-CD1 3.91Å; L40-D42 HydrophobicContact CD2-CB 3.89Å; L40-I82 HydrophobicContact CD2-CG1 4.35Å; L40-I82 HydrophobicContact CD2-CG2 4.38Å; L40-G83 WeakPolarHBondContact O-CA 3.27Å; L40-G83 PolarHBondContact O-N 2.82Å; L40-A84 PolarHBondContact O-N 3.18Å; L40-F307 HydrophobicContact CD1-CB 4.33Å; L40-F307 HydrophobicContact CD1-CD1 4.08Å; L40-F307 HydrophobicContact CD1-CD2 3.89Å; L40-F307 HydrophobicContact CD1-CE1 4.39Å; L40-F307 HydrophobicContact CD1-CE2 4.22Å; L40-F307 HydrophobicContact CD1-CG 3.83Å; L40-F307 HydrophobicContact CD1-CZ 4.46Å; L40-F307 HydrophobicContact CD2-CB 4.46Å; L40-F307 HydrophobicContact CG-CD2 4.22Å; L40-F307 HydrophobicContact CG-CG 4.35Å; L40-Y327 HydrophobicContact CD1-CD1 3.42Å; L40-Y327 VanDerWaalsContact CD1-CD1 3.42Å; L40-Y327 HydrophobicContact CD1-CD2 4.4Å; L40-Y327 HydrophobicContact CD1-CE1 4.09Å; L40-Y327 HydrophobicContact CD1-CG 3.6Å; L40-Y327 HydrophobicContact CD2-CD1 4.24Å; L40-Y327 HydrophobicContact CD2-CD2 4.47Å; L40-Y327 HydrophobicContact CD2-CE1 4.17Å; L40-Y327 HydrophobicContact CD2-CE2 4.45Å; L40-Y327 HydrophobicContact CD2-CG 4.38Å; L40-L348 CarbonylContact C-O 3.6Å; L40-L348 VanDerWaalsContact CA-O 3.29Å; L40-L348 WeakPolarHBondContact CA-O 3.35Å; L40-L348 HydrophobicContact CB-CD2 3.98Å; L40-L348 HydrophobicContact CD1-CD2 3.91Å; L40-L348 HydrophobicContact CG-CD2 4.24Å
41	I	98.9	Very high	98.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.7	168.2	-43.3	179.5	0	0	0	109.3	A84 I131 F135 L348 L352 L353	I41-A84 WeakPolarHBondContact CA-O 3.29Å; I41-A84 HydrophobicContact CB-CB 4.24Å; I41-A84 HydrophobicContact CG1-CB 4.01Å; I41-A84 HydrophobicContact CG2-CB 3.67Å; I41-I131 HydrophobicContact CD1-CG2 4Å; I41-F135 HydrophobicContact CD1-CZ 4.03Å; I41-F135 HydrophobicContact CG1-CZ 3.83Å; I41-L348 PolarHBondContact N-O 3.44Å; I41-L352 HydrophobicContact CB-CD2 3.86Å; I41-L352 HydrophobicContact CD1-CD2 4.33Å; I41-L352 HydrophobicContact CG2-CD2 3.32Å; I41-L353 HydrophobicContact CD1-CD1 4.33Å; I41-L353 HydrophobicContact CD1-CD2 4.18Å; I41-L353 HydrophobicContact CD1-CG 3.84Å
42	D	98.9	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.4	173.3	-174.1	-79.5	0	0	0	111	L40 H44 A84 Q85 F86 F307 G309 Y327	L40-D42 HydrophobicContact CD2-CB 3.89Å; D42-H44 PolarHBondContact OD1-N 3.45Å; D42-H44 VanDerWaalsContact OD1-O 3.04Å; D42-A84 PolarHBondContact N-O 3.49Å; D42-Q85 PolarHBondContact O-NE2 3.27Å; D42-Q85 PolarHBondContact OD1-NE2 3.07Å; D42-F86 PolarHBondContact O-N 3.02Å; D42-F307 CarbonylContact C-O 3.57Å; D42-F307 WeakPolarHBondContact CA-O 3.27Å; D42-G309 PolarHBondContact OD2-N 3.24Å; D42-Y327 PolarHBondContact OD2-OH 3.23Å
43	G	98.9	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-16.5	-173	0	0	0	0	0	115.7	F86 Y169 F307	G43-F86 VanDerWaalsContact O-CB 3.24Å; G43-F86 WeakPolarHBondContact O-CB 3.4Å; G43-Y169 VanDerWaalsContact O-CE1 3.25Å; G43-Y169 WeakPolarHBondContact O-CE1 3.35Å; G43-Y169 PolarHBondContact O-OH 3.31Å; G43-F307 PolarHBondContact N-O 3.24Å
44	H	98.9	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	115.9	-172.1	-157	89.9	0	0	0	113	D42 D46 E147 Y169 H241 D310	D42-H44 PolarHBondContact OD1-N 3.45Å; D42-H44 VanDerWaalsContact OD1-O 3.04Å; H44-D46 IonicContact NE2-OD2 3.54Å; H44-E147 IonicContact CE1-OE2 2.9Å; H44-E147 IonicContact NE2-OE2 3.96Å; H44-Y169 PolarHBondContact ND1-OH 2.73Å; H44-H241 HydrophobicContact CB-CB 3.79Å; H44-H241 AromaticContact CD2-CE1 3.97Å; H44-H241 AromaticContact CD2-CG 3.96Å; H44-H241 AromaticContact CD2-ND1 3.76Å; H44-H241 AromaticContact CE1-CE1 3.48Å; H44-H241 PolarHBondContact CE1-CE1 2.98Å; H44-H241 VanDerWaalsContact CE1-CE1 3.48Å; H44-H241 AromaticContact CE1-ND1 3.7Å; H44-H241 AromaticContact CG-CE1 3.8Å; H44-H241 AromaticContact CG-CG 3.7Å; H44-H241 AromaticContact CG-ND1 3.25Å; H44-H241 VanDerWaalsContact CG-ND1 3.25Å; H44-H241 AromaticContact ND1-CE1 3.49Å; H44-H241 PolarHBondContact ND1-CE1 3.35Å; H44-H241 AromaticContact ND1-ND1 3.22Å; H44-H241 PolarHBondContact ND1-ND1 3.45Å; H44-H241 AromaticContact NE2-CE1 3.81Å; H44-D310 IonicContact CD2-OD1 3.75Å; H44-D310 PolarHBondContact O-N 2.89Å
45	N	98.9	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	130.9	175.2	-174.6	-59	0	0	0	111.1	L47 T72 Q85 F86 W87 A88	N45-L47 VanDerWaalsContact OD1-CB 3.3Å; N45-L47 WeakPolarHBondContact OD1-CB 3.48Å; N45-L47 PolarHBondContact OD1-N 3.32Å; N45-T72 PolarHBondContact ND2-OG1 2.8Å; N45-T72 PolarHBondContact OD1-OG1 3.49Å; N45-Q85 HydrophobicContact CB-CG 4.03Å; N45-F86 PolarHBondContact N-O 3.18Å; N45-W87 HydrophobicContact CB-CE3 4.14Å; N45-W87 HydrophobicContact CB-CZ3 4.15Å; N45-W87 WeakPolarHBondContact OD1-CZ3 3.26Å; N45-A88 PolarHBondContact O-N 3.4Å
46	D	98.9	Very high	98.3	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.043	18%	0.181	C	C	.	.			trans	-97.7	18.1	-170.1	-103.1	-50.2	0	0	0	114.1	H44 P48 W49 Q50 Y311 D312 G313	H44-D46 IonicContact NE2-OD2 3.54Å; D46-P48 VanDerWaalsContact O-N 3.14Å; D46-W49 HydrophobicContact CB-CB 4.36Å; D46-W49 WeakPolarHBondContact O-CA 3.11Å; D46-W49 WeakPolarHBondContact O-CB 3.45Å; D46-W49 PolarHBondContact O-N 3.47Å; D46-Q50 PolarHBondContact O-N 2.97Å; D46-Q50 VanDerWaalsContact O-N 3.16Å; D46-Y311 PolarHBondContact N-O 3.07Å; D46-D312 VanDerWaalsContact CB-C 3.41Å; D46-D312 HydrophobicContact CB-CB 4.22Å; D46-G313 VanDerWaalsContact CB-CA 3.45Å; D46-G313 VanDerWaalsContact CB-N 3.35Å; D46-G313 WeakPolarHBondContact OD2-CA 3.3Å
47	L	98.9	Very high	98.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-48	-40.4	172	-179.4	63.2	0	0	0	113	N45 W49 Q50 L51 L64 L67 T70 T72 W87 M114	N45-L47 VanDerWaalsContact OD1-CB 3.3Å; N45-L47 WeakPolarHBondContact OD1-CB 3.48Å; N45-L47 PolarHBondContact OD1-N 3.32Å; L47-W49 VanDerWaalsContact C-N 3.27Å; L47-W49 PolarHBondContact O-N 3.39Å; L47-Q50 PolarHBondContact O-N 2.99Å; L47-Q50 VanDerWaalsContact O-N 3.1Å; L47-L51 HydrophobicContact CD1-CG 4.44Å; L47-L51 HydrophobicContact CG-CD1 4.31Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CG 2.96Å; L47-L51 PolarHBondContact O-N 2.93Å; L47-L64 HydrophobicContact CD2-CD1 4.39Å; L47-L64 HydrophobicContact CD2-CD2 4.33Å; L47-L67 HydrophobicContact CD1-CD2 4.34Å; L47-T70 HydrophobicContact CD1-CG2 4.27Å; L47-T72 HydrophobicContact CD2-CG2 3.89Å; L47-W87 HydrophobicContact CB-CE3 4.11Å; L47-W87 HydrophobicContact CB-CZ3 3.75Å; L47-W87 HydrophobicContact CD2-CH2 4.11Å; L47-W87 HydrophobicContact CD2-CZ3 3.84Å; L47-W87 HydrophobicContact CG-CZ3 4.42Å; L47-M114 HydrophobicContact CD2-SD 4.1Å
48	P	98.9	Very high	98.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-36	174.4	-24.5	35.3	0	0	0	113.8	D46 L51 R52 W87 A88 Q107 V110 I111	D46-P48 VanDerWaalsContact O-N 3.14Å; P48-L51 PolarHBondContact O-N 3.24Å; P48-R52 PolarHBondContact O-N 3.26Å; P48-R52 VanDerWaalsContact O-N 3.11Å; P48-W87 HydrophobicContact CG-CB 3.9Å; P48-A88 WeakPolarHBondContact CB-O 3.36Å; P48-A88 WeakPolarHBondContact CG-O 3.46Å; P48-Q107 VanDerWaalsContact C-NE2 3.27Å; P48-Q107 PolarHBondContact O-NE2 3.4Å; P48-V110 HydrophobicContact CB-CG1 4.11Å; P48-I111 HydrophobicContact CB-CD1 4.3Å; P48-I111 HydrophobicContact CB-CG1 4Å; P48-I111 HydrophobicContact CG-CD1 3.89Å; P48-I111 HydrophobicContact CG-CG1 3.58Å
49	W	98.9	Very high	98.5	Very high	59 Å²	59	30.9 Å²	30.9	22%	0.223	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-41.3	174.3	173.6	-119.4	0	0	0	111.6	D46 L47 L51 R52 K53 Y90 P92	D46-W49 HydrophobicContact CB-CB 4.36Å; D46-W49 WeakPolarHBondContact O-CA 3.11Å; D46-W49 WeakPolarHBondContact O-CB 3.45Å; D46-W49 PolarHBondContact O-N 3.47Å; L47-W49 VanDerWaalsContact C-N 3.27Å; L47-W49 PolarHBondContact O-N 3.39Å; W49-L51 VanDerWaalsContact C-N 3.31Å; W49-L51 PolarHBondContact O-N 3.14Å; W49-R52 HydrophobicContact CE3-CB 4.43Å; W49-R52 WeakPolarHBondContact O-CB 3.15Å; W49-R52 PolarHBondContact O-N 3.03Å; W49-K53 WeakPolarHBondContact O-CB 3.41Å; W49-K53 PolarHBondContact O-N 3.4Å; W49-Y90 HydrophobicContact CB-CD1 4.24Å; W49-Y90 AromaticContact CD2-CD1 3.93Å; W49-Y90 HydrophobicContact CD2-CD1 3.93Å; W49-Y90 HydrophobicContact CD2-CE1 4.06Å; W49-Y90 HydrophobicContact CE3-CD1 4.06Å; W49-Y90 HydrophobicContact CE3-CE1 4.28Å; W49-Y90 AromaticContact CG-CD1 3.98Å; W49-Y90 HydrophobicContact CG-CD1 3.98Å; W49-Y90 HydrophobicContact CG-CE1 4.37Å; W49-P92 HydrophobicContact CH2-CG 3.56Å; W49-P92 HydrophobicContact CZ2-CG 4.21Å; W49-P92 HydrophobicContact CZ3-CG 3.89Å
50	Q	98.8	Very high	98.7	Very high	37 Å²	37	36.9 Å²	36.9	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-38.2	174.7	-61.6	-60.2	-27.2	0	0	112.2	D46 L47 R52 K53 S54 T70 D312	D46-Q50 PolarHBondContact O-N 2.97Å; D46-Q50 VanDerWaalsContact O-N 3.16Å; L47-Q50 PolarHBondContact O-N 2.99Å; L47-Q50 VanDerWaalsContact O-N 3.1Å; Q50-R52 VanDerWaalsContact C-N 3.32Å; Q50-R52 PolarHBondContact O-N 2.93Å; Q50-K53 PolarHBondContact O-N 2.83Å; Q50-S54 VanDerWaalsContact O-CB 3.27Å; Q50-S54 WeakPolarHBondContact O-CB 3.49Å; Q50-S54 PolarHBondContact O-N 3.27Å; Q50-S54 PolarHBondContact O-OG 3.44Å; Q50-T70 HydrophobicContact CB-CG2 3.94Å; Q50-T70 HydrophobicContact CG-CG2 4.1Å; Q50-D312 HydrophobicContact CG-CB 3.69Å; Q50-D312 PolarHBondContact NE2-O 2.87Å
51	L	98.9	Very high	98.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-38.4	175.2	-67.1	172.5	0	0	0	112.2	L47 P48 W49 F55 N56 N57 L59 V62 L64 V110 M114	L47-L51 HydrophobicContact CD1-CG 4.44Å; L47-L51 HydrophobicContact CG-CD1 4.31Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CG 2.96Å; L47-L51 PolarHBondContact O-N 2.93Å; P48-L51 PolarHBondContact O-N 3.24Å; W49-L51 VanDerWaalsContact C-N 3.31Å; W49-L51 PolarHBondContact O-N 3.14Å; L51-F55 HydrophobicContact CD2-CD2 4.17Å; L51-F55 CarbonylContact O-C 3.53Å; L51-F55 WeakPolarHBondContact O-CA 3.44Å; L51-F55 WeakPolarHBondContact O-CB 3.46Å; L51-F55 PolarHBondContact O-N 3.17Å; L51-F55 VanDerWaalsContact O-N 3.1Å; L51-N56 PolarHBondContact O-N 3.39Å; L51-N57 PolarHBondContact O-N 3.33Å; L51-N57 VanDerWaalsContact O-N 3.13Å; L51-L59 HydrophobicContact CD1-CD2 3.94Å; L51-L59 HydrophobicContact CD2-CD2 4.17Å; L51-V62 HydrophobicContact CD2-CG1 3.92Å; L51-V62 HydrophobicContact CD2-CG2 4.49Å; L51-L64 HydrophobicContact CD2-CD2 4.29Å; L51-V110 HydrophobicContact CD1-CG2 4.38Å; L51-M114 HydrophobicContact CD1-SD 4.21Å
52	R	98.6	Very high	98.6	Very high	39 Å²	39	44 Å²	44	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-54.9	173.4	-175.3	-179.3	-179	78.1	0.8	111.1	P48 W49 Q50 S54 N56 N57 E106	P48-R52 PolarHBondContact O-N 3.26Å; P48-R52 VanDerWaalsContact O-N 3.11Å; W49-R52 HydrophobicContact CE3-CB 4.43Å; W49-R52 WeakPolarHBondContact O-CB 3.15Å; W49-R52 PolarHBondContact O-N 3.03Å; Q50-R52 VanDerWaalsContact C-N 3.32Å; Q50-R52 PolarHBondContact O-N 2.93Å; R52-S54 PolarHBondContact O-N 3.22Å; R52-N56 WeakPolarHBondContact O-CA 3.48Å; R52-N56 PolarHBondContact O-N 3.11Å; R52-N57 WeakPolarHBondContact CA-OD1 3.34Å; R52-N57 WeakPolarHBondContact CB-OD1 3.45Å; R52-N57 PolarHBondContact N-OD1 2.91Å; R52-E106 IonicContact CZ-OE2 4Å; R52-E106 IonicContact NH1-OE2 2.75Å; R52-E106 PolarHBondContact NH1-OE2 2.9Å; R52-E106 IonicContact NH2-OE2 3.3Å
53	K	98.2	Very high	98.6	Very high	144 Å²	144	47.1 Å²	47.1	63%	0.626	23%	0.231	S	C	*	.	H	α-helix	trans	-60.6	-43.3	-174.4	-176.4	-177.4	173.8	-171.1	0	112.5	W49 Q50	W49-K53 WeakPolarHBondContact O-CB 3.41Å; W49-K53 PolarHBondContact O-N 3.4Å; Q50-K53 PolarHBondContact O-N 2.83Å
54	S	98.4	Very high	98.6	Very high	64 Å²	64	47.2 Å²	47.2	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-92.9	-28.8	-171.8	-59.2	0	0	0	0	113.4	Q50 R52	Q50-S54 VanDerWaalsContact O-CB 3.27Å; Q50-S54 WeakPolarHBondContact O-CB 3.49Å; Q50-S54 PolarHBondContact O-N 3.27Å; Q50-S54 PolarHBondContact O-OG 3.44Å; R52-S54 PolarHBondContact O-N 3.22Å
55	F	98.6	Very high	98.5	Very high	49 Å²	49	50.7 Å²	50.7	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-129.2	2.9	-172.3	-49.8	-73.4	0	0	0	113.9	L51 N57 Q58 V62 L67	L51-F55 HydrophobicContact CD2-CD2 4.17Å; L51-F55 CarbonylContact O-C 3.53Å; L51-F55 WeakPolarHBondContact O-CA 3.44Å; L51-F55 WeakPolarHBondContact O-CB 3.46Å; L51-F55 PolarHBondContact O-N 3.17Å; L51-F55 VanDerWaalsContact O-N 3.1Å; F55-N57 PolarHBondContact O-N 2.92Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.45Å; F55-Q58 PolarHBondContact O-N 2.9Å; F55-V62 HydrophobicContact CD1-CB 4.14Å; F55-V62 HydrophobicContact CD2-CB 3.96Å; F55-V62 HydrophobicContact CD2-CG1 4.01Å; F55-V62 HydrophobicContact CD2-CG2 4.16Å; F55-V62 HydrophobicContact CE1-CB 4.08Å; F55-V62 HydrophobicContact CE1-CG2 4.4Å; F55-V62 HydrophobicContact CE2-CB 3.9Å; F55-V62 HydrophobicContact CE2-CG1 4.38Å; F55-V62 HydrophobicContact CE2-CG2 3.67Å; F55-V62 HydrophobicContact CG-CB 4.08Å; F55-V62 HydrophobicContact CG-CG1 4.18Å; F55-V62 HydrophobicContact CZ-CB 3.97Å; F55-V62 HydrophobicContact CZ-CG2 3.81Å; F55-L67 HydrophobicContact CE2-CD1 4.23Å; F55-L67 HydrophobicContact CZ-CD1 4.02Å
56	N	98.6	Very high	98.5	Very high	110 Å²	110	55.5 Å²	55.5	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	44.3	-173.3	-166.2	23.7	0	0	0	111.4	L51 R52 Q58	L51-N56 PolarHBondContact O-N 3.39Å; R52-N56 WeakPolarHBondContact O-CA 3.48Å; R52-N56 PolarHBondContact O-N 3.11Å; N56-Q58 PolarHBondContact O-N 3.03Å
57	N	98.7	Very high	98.5	Very high	16 Å²	16	55.9 Å²	55.9	9%	0.086	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	12.6	-178.5	-68.3	-20.3	0	0	0	116.2	L51 R52 F55 L59 Q107 V110 R113	L51-N57 PolarHBondContact O-N 3.33Å; L51-N57 VanDerWaalsContact O-N 3.13Å; R52-N57 WeakPolarHBondContact CA-OD1 3.34Å; R52-N57 WeakPolarHBondContact CB-OD1 3.45Å; R52-N57 PolarHBondContact N-OD1 2.91Å; F55-N57 PolarHBondContact O-N 2.92Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 2.76Å; N57-Q107 PolarHBondContact ND2-OE1 2.91Å; N57-V110 HydrophobicContact CB-CB 4.23Å; N57-V110 HydrophobicContact CB-CG2 3.94Å; N57-R113 PolarHBondContact O-NH1 3.09Å; N57-R113 VanDerWaalsContact O-NH1 3.08Å; N57-R113 PolarHBondContact O-NH2 2.87Å
58	Q	98.7	Very high	98.3	Very high	84 Å²	84	61.7 Å²	61.7	39%	0.393	31%	0.312	S	S	.	.			trans	-77.5	80.9	175.3	-68.2	169.3	70.5	0	0	110.4	F55 N56 N60 K61	F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.45Å; F55-Q58 PolarHBondContact O-N 2.9Å; N56-Q58 PolarHBondContact O-N 3.03Å; Q58-N60 PolarHBondContact O-N 2.74Å; Q58-K61 HydrophobicContact CB-CD 4.05Å; Q58-K61 HydrophobicContact CB-CG 4.22Å; Q58-K61 WeakPolarHBondContact O-CB 3.24Å; Q58-K61 PolarHBondContact O-N 3.31Å
59	L	98.3	Very high	98.3	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.042	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-57.4	-21.7	-176.7	-64.6	-176.5	0	0	0	113.8	L51 N57 K61 V62 V110 R113 M114 K117	L51-L59 HydrophobicContact CD1-CD2 3.94Å; L51-L59 HydrophobicContact CD2-CD2 4.17Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 2.76Å; L59-K61 PolarHBondContact O-N 2.95Å; L59-V62 HydrophobicContact CD2-CG1 4.37Å; L59-V62 PolarHBondContact O-N 3.45Å; L59-V110 HydrophobicContact CD1-CG2 4.16Å; L59-V110 HydrophobicContact CD2-CG2 3.76Å; L59-V110 HydrophobicContact CG-CG2 4Å; L59-R113 HydrophobicContact CD1-CB 3.67Å; L59-M114 HydrophobicContact CD1-CB 4.31Å; L59-K117 HydrophobicContact CB-CD 4.13Å; L59-K117 PolarHBondContact O-NZ 3.01Å
60	N	97.7	Very high	98.3	Very high	152 Å²	152	64.2 Å²	64.2	81%	0.813	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-71.6	-12.5	175.3	-68.1	-17.8	0	0	0	114.1	Q58	Q58-N60 PolarHBondContact O-N 2.74Å
61	K	97.9	Very high	98.3	Very high	139 Å²	139	64.4 Å²	64.4	60%	0.604	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-94.6	0.4	177.1	-67.2	-177	169.1	170.2	0	113.5	Q58 L59	Q58-K61 HydrophobicContact CB-CD 4.05Å; Q58-K61 HydrophobicContact CB-CG 4.22Å; Q58-K61 WeakPolarHBondContact O-CB 3.24Å; Q58-K61 PolarHBondContact O-N 3.31Å; L59-K61 PolarHBondContact O-N 2.95Å
62	V	98.1	Very high	98.3	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.067	34%	0.335	C	S	.	.			trans	-140.1	140.2	-177.5	58	0	0	0	0	110.4	L51 F55 L59 L67 K117 Y118	L51-V62 HydrophobicContact CD2-CG1 3.92Å; L51-V62 HydrophobicContact CD2-CG2 4.49Å; F55-V62 HydrophobicContact CD1-CB 4.14Å; F55-V62 HydrophobicContact CD2-CB 3.96Å; F55-V62 HydrophobicContact CD2-CG1 4.01Å; F55-V62 HydrophobicContact CD2-CG2 4.16Å; F55-V62 HydrophobicContact CE1-CB 4.08Å; F55-V62 HydrophobicContact CE1-CG2 4.4Å; F55-V62 HydrophobicContact CE2-CB 3.9Å; F55-V62 HydrophobicContact CE2-CG1 4.38Å; F55-V62 HydrophobicContact CE2-CG2 3.67Å; F55-V62 HydrophobicContact CG-CB 4.08Å; F55-V62 HydrophobicContact CG-CG1 4.18Å; F55-V62 HydrophobicContact CZ-CB 3.97Å; F55-V62 HydrophobicContact CZ-CG2 3.81Å; L59-V62 HydrophobicContact CD2-CG1 4.37Å; L59-V62 PolarHBondContact O-N 3.45Å; V62-L67 HydrophobicContact CG2-CB 4.26Å; V62-L67 HydrophobicContact CG2-CD1 4.02Å; V62-L67 HydrophobicContact CG2-CD2 3.99Å; V62-L67 HydrophobicContact CG2-CG 4.33Å; V62-K117 PolarHBondContact O-NZ 2.96Å; V62-K117 VanDerWaalsContact O-NZ 3.13Å; V62-Y118 PolarHBondContact O-OH 3.06Å
63	D	98.5	Very high	98.3	Very high	67 Å²	67	63.1 Å²	63.1	36%	0.358	33%	0.331	S	S	.	.			trans	-116	116.4	172.9	-172.9	-6.9	0	0	0	109.5	N65 T66 L67 Y118	D63-N65 PolarHBondContact O-N 3.4Å; D63-N65 WeakPolarHBondContact OD1-CB 3.13Å; D63-N65 PolarHBondContact OD1-N 2.91Å; D63-N65 PolarHBondContact OD1-ND2 3.35Å; D63-T66 PolarHBondContact O-N 2.93Å; D63-T66 VanDerWaalsContact O-N 3.12Å; D63-L67 WeakPolarHBondContact O-CB 3.28Å; D63-L67 PolarHBondContact O-N 2.95Å; D63-Y118 WeakPolarHBondContact CA-OH 3.13Å
64	L	98.7	Very high	98.3	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.4	-179.8	-64.3	-175.1	0	0	0	112.9	L47 L51 T66 L67 N73 I74 M114 Y118 F122	L47-L64 HydrophobicContact CD2-CD1 4.39Å; L47-L64 HydrophobicContact CD2-CD2 4.33Å; L51-L64 HydrophobicContact CD2-CD2 4.29Å; L64-T66 VanDerWaalsContact C-N 3.32Å; L64-L67 HydrophobicContact CD2-CD2 3.78Å; L64-N73 WeakPolarHBondContact O-CB 3.37Å; L64-I74 HydrophobicContact CB-CD1 3.74Å; L64-I74 HydrophobicContact CB-CG1 3.84Å; L64-I74 PolarHBondContact O-N 3.02Å; L64-M114 HydrophobicContact CD1-CG 3.72Å; L64-M114 HydrophobicContact CD1-SD 3.73Å; L64-Y118 HydrophobicContact CB-CD2 4.49Å; L64-Y118 HydrophobicContact CB-CE1 4.34Å; L64-Y118 HydrophobicContact CB-CE2 3.94Å; L64-Y118 HydrophobicContact CD1-CD2 3.9Å; L64-Y118 HydrophobicContact CD1-CE2 3.58Å; L64-Y118 HydrophobicContact CG-CD2 4.37Å; L64-Y118 HydrophobicContact CG-CE2 3.64Å; L64-Y118 PolarHBondContact N-OH 3.28Å; L64-F122 HydrophobicContact CD1-CE2 4.03Å; L64-F122 HydrophobicContact CD1-CZ 4.48Å
65	N	98.5	Very high	98.3	Very high	74 Å²	74	56.7 Å²	56.7	40%	0.396	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.7	171.1	-61.7	-70.9	0	0	0	112.7	D63 P75	D63-N65 PolarHBondContact O-N 3.4Å; D63-N65 WeakPolarHBondContact OD1-CB 3.13Å; D63-N65 PolarHBondContact OD1-N 2.91Å; D63-N65 PolarHBondContact OD1-ND2 3.35Å; N65-P75 VanDerWaalsContact O-CG 3.29Å; N65-P75 WeakPolarHBondContact O-CG 3.49Å
66	T	98.3	Very high	98.3	Very high	101 Å²	101	56.2 Å²	56.2	62%	0.62	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-7.5	-174.5	64.7	0	0	0	0	114	D63 L64 D68	D63-T66 PolarHBondContact O-N 2.93Å; D63-T66 VanDerWaalsContact O-N 3.12Å; L64-T66 VanDerWaalsContact C-N 3.32Å; T66-D68 PolarHBondContact O-N 3.18Å
67	L	97.9	Very high	98.4	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.079	27%	0.272	C	S	.	.			trans	-60.7	117	175.6	179.2	66.4	0	0	0	110.1	L47 F55 V62 D63 L64 T69 T70 N73	L47-L67 HydrophobicContact CD1-CD2 4.34Å; F55-L67 HydrophobicContact CE2-CD1 4.23Å; F55-L67 HydrophobicContact CZ-CD1 4.02Å; V62-L67 HydrophobicContact CG2-CB 4.26Å; V62-L67 HydrophobicContact CG2-CD1 4.02Å; V62-L67 HydrophobicContact CG2-CD2 3.99Å; V62-L67 HydrophobicContact CG2-CG 4.33Å; D63-L67 WeakPolarHBondContact O-CB 3.28Å; D63-L67 PolarHBondContact O-N 2.95Å; L64-L67 HydrophobicContact CD2-CD2 3.78Å; L67-T69 WeakPolarHBondContact CD1-OG1 3.23Å; L67-T70 HydrophobicContact CD2-CG2 3.96Å; L67-T70 WeakPolarHBondContact CD2-OG1 3.38Å; L67-T70 HydrophobicContact CG-CG2 4.39Å; L67-N73 WeakPolarHBondContact O-CB 3.39Å; L67-N73 PolarHBondContact O-ND2 3.45Å
68	D	96.3	Very high	98.3	Very high	123 Å²	123	55.7 Å²	55.7	66%	0.658	29%	0.288	S	S	*	.			trans	-116.9	-9.2	-175.8	61.7	-8.6	0	0	0	113.8	T66 T70	T66-D68 PolarHBondContact O-N 3.18Å; D68-T70 PolarHBondContact O-N 3.48Å
69	T	97.3	Very high	98.3	Very high	106 Å²	106	58.4 Å²	58.4	65%	0.65	30%	0.299	S	S	*	.	S	Bend	trans	-77.8	2.9	-179.3	63	0	0	0	0	114.5	L67	L67-T69 WeakPolarHBondContact CD1-OG1 3.23Å
70	T	98.7	Very high	98.3	Very high	7 Å²	7	58 Å²	58	4%	0.043	30%	0.297	C	S	.	.	S	Bend	trans	-123.4	158.9	-176.1	47.5	0	0	0	0	110.7	L47 Q50 L67 D68 T72 K76 D312	L47-T70 HydrophobicContact CD1-CG2 4.27Å; Q50-T70 HydrophobicContact CB-CG2 3.94Å; Q50-T70 HydrophobicContact CG-CG2 4.1Å; L67-T70 HydrophobicContact CD2-CG2 3.96Å; L67-T70 WeakPolarHBondContact CD2-OG1 3.38Å; L67-T70 HydrophobicContact CG-CG2 4.39Å; D68-T70 PolarHBondContact O-N 3.48Å; T70-T72 PolarHBondContact O-N 3.23Å; T70-T72 PolarHBondContact OG1-O 3.37Å; T70-K76 PolarHBondContact O-NZ 3.32Å; T70-D312 WeakPolarHBondContact CA-OD1 3.34Å; T70-D312 WeakPolarHBondContact CB-OD1 3.25Å
71	H	98.9	Very high	98.4	Very high	42 Å²	42	52.8 Å²	52.8	19%	0.194	27%	0.268	C	S	.	.	S	Bend	trans	-65.5	-22	168.6	-57.6	157.5	0	0	0	110.7	K76 Y311 D312 D323 V324	H71-K76 WeakPolarHBondContact O-CD 3.37Å; H71-Y311 HydrophobicContact CB-CD1 3.55Å; H71-Y311 HydrophobicContact CB-CE1 4.44Å; H71-Y311 HydrophobicContact CB-CG 4.07Å; H71-Y311 AromaticContact CG-CD1 3.8Å; H71-Y311 AromaticContact ND1-CD1 3.71Å; H71-D312 IonicContact CG-OD1 3.63Å; H71-D312 PolarHBondContact N-OD1 3.02Å; H71-D312 PolarHBondContact ND1-N 2.78Å; H71-D312 VanDerWaalsContact ND1-N 3.14Å; H71-D323 HydrophobicContact CB-CB 4.47Å; H71-D323 VanDerWaalsContact O-CB 3.31Å; H71-D323 WeakPolarHBondContact O-CB 3.28Å; H71-V324 WeakPolarHBondContact O-CG2 3.12Å; H71-V324 PolarHBondContact O-N 3.01Å
72	T	98.9	Very high	98.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.			trans	-120.3	129.7	-175	-45.9	0	0	0	0	112.9	N45 L47 T70 I77 W87 D312 V324	N45-T72 PolarHBondContact ND2-OG1 2.8Å; N45-T72 PolarHBondContact OD1-OG1 3.49Å; L47-T72 HydrophobicContact CD2-CG2 3.89Å; T70-T72 PolarHBondContact O-N 3.23Å; T70-T72 PolarHBondContact OG1-O 3.37Å; T72-I77 HydrophobicContact CG2-CD1 3.75Å; T72-I77 HydrophobicContact CG2-CG1 3.88Å; T72-W87 HydrophobicContact CG2-CH2 3.98Å; T72-W87 HydrophobicContact CG2-CZ3 4.07Å; T72-D312 WeakPolarHBondContact CB-OD2 3.31Å; T72-D312 PolarHBondContact N-OD2 3.01Å; T72-D312 PolarHBondContact OG1-OD2 3.11Å; T72-V324 HydrophobicContact CG2-CG1 4.16Å; T72-V324 HydrophobicContact CG2-CG2 4.17Å; T72-V324 WeakPolarHBondContact OG1-CG1 3.45Å
73	N	98.9	Very high	98.4	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.07	24%	0.242	C	C	.	.			trans	-152.5	171.9	165.2	74.9	18.3	0	0	0	109.4	L64 L67 P75 K76 I77	L64-N73 WeakPolarHBondContact O-CB 3.37Å; L67-N73 WeakPolarHBondContact O-CB 3.39Å; L67-N73 PolarHBondContact O-ND2 3.45Å; N73-P75 VanDerWaalsContact OD1-CD 3.25Å; N73-P75 WeakPolarHBondContact OD1-CD 3.46Å; N73-K76 PolarHBondContact O-N 3.16Å; N73-K76 VanDerWaalsContact OD1-CB 3.23Å; N73-K76 WeakPolarHBondContact OD1-CB 3.23Å; N73-K76 WeakPolarHBondContact OD1-CG 3.45Å; N73-K76 PolarHBondContact OD1-N 2.81Å; N73-I77 WeakPolarHBondContact O-CB 3.45Å; N73-I77 WeakPolarHBondContact O-CG1 3.29Å; N73-I77 PolarHBondContact O-N 2.96Å
74	I	98.9	Very high	98.4	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.046	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-49.9	-176.7	-68.9	170.6	0	0	0	112	L64 K76 I77 R78 Y118 T121 F122	L64-I74 HydrophobicContact CB-CD1 3.74Å; L64-I74 HydrophobicContact CB-CG1 3.84Å; L64-I74 PolarHBondContact O-N 3.02Å; I74-K76 VanDerWaalsContact C-N 3.32Å; I74-K76 PolarHBondContact O-N 3Å; I74-I77 PolarHBondContact O-N 3.37Å; I74-R78 HydrophobicContact CG2-CG 4.45Å; I74-R78 WeakPolarHBondContact O-CG 3.44Å; I74-R78 PolarHBondContact O-N 3.41Å; I74-Y118 HydrophobicContact CD1-CD1 3.61Å; I74-Y118 HydrophobicContact CD1-CD2 4.37Å; I74-Y118 HydrophobicContact CD1-CE1 4.15Å; I74-Y118 HydrophobicContact CD1-CG 3.74Å; I74-T121 HydrophobicContact CG1-CG2 4.19Å; I74-T121 HydrophobicContact CG2-CG2 4.05Å; I74-F122 HydrophobicContact CD1-CE2 4.19Å; I74-F122 HydrophobicContact CG1-CE2 4.12Å; I74-F122 HydrophobicContact CG1-CZ 3.94Å
75	P	98.8	Very high	98.4	Very high	64 Å²	64	43.3 Å²	43.3	42%	0.416	23%	0.225	S	C	.	.	H	α-helix	trans	-55.3	-43	176.4	-28.5	33.5	0	0	0	114.2	N65 N73 R78 K79	N65-P75 VanDerWaalsContact O-CG 3.29Å; N65-P75 WeakPolarHBondContact O-CG 3.49Å; N73-P75 VanDerWaalsContact OD1-CD 3.25Å; N73-P75 WeakPolarHBondContact OD1-CD 3.46Å; P75-R78 PolarHBondContact O-N 3.14Å; P75-K79 WeakPolarHBondContact O-CB 3.43Å; P75-K79 PolarHBondContact O-N 2.61Å
76	K	98.9	Very high	98.5	Very high	39 Å²	39	39.9 Å²	39.9	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-44.7	178.6	-68.9	172	-179.2	-160.9	0	111	T70 H71 N73 I74 R78 K79 G80 D323 V324 S325	T70-K76 PolarHBondContact O-NZ 3.32Å; H71-K76 WeakPolarHBondContact O-CD 3.37Å; N73-K76 PolarHBondContact O-N 3.16Å; N73-K76 VanDerWaalsContact OD1-CB 3.23Å; N73-K76 WeakPolarHBondContact OD1-CB 3.23Å; N73-K76 WeakPolarHBondContact OD1-CG 3.45Å; N73-K76 PolarHBondContact OD1-N 2.81Å; I74-K76 VanDerWaalsContact C-N 3.32Å; I74-K76 PolarHBondContact O-N 3Å; K76-R78 VanDerWaalsContact C-N 3.29Å; K76-R78 PolarHBondContact O-N 3.17Å; K76-K79 PolarHBondContact O-N 2.9Å; K76-G80 PolarHBondContact O-N 3.48Å; K76-D323 HydrophobicContact CD-CB 3.98Å; K76-D323 WeakPolarHBondContact CD-OD2 3.38Å; K76-D323 WeakPolarHBondContact CE-OD2 3.46Å; K76-D323 IonicContact NZ-OD2 3.98Å; K76-D323 PolarHBondContact NZ-OD2 2.05Å; K76-D323 VanDerWaalsContact NZ-OD2 3.08Å; K76-V324 HydrophobicContact CB-CG2 3.51Å; K76-S325 WeakPolarHBondContact O-CA 3.4Å
77	I	98.7	Very high	98.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-55.5	-45.3	174.5	-73.2	170.8	0	0	0	110.9	T72 N73 I74 G80 Q81 I82 W87 F122 V140 V324	T72-I77 HydrophobicContact CG2-CD1 3.75Å; T72-I77 HydrophobicContact CG2-CG1 3.88Å; N73-I77 WeakPolarHBondContact O-CB 3.45Å; N73-I77 WeakPolarHBondContact O-CG1 3.29Å; N73-I77 PolarHBondContact O-N 2.96Å; I74-I77 PolarHBondContact O-N 3.37Å; I77-G80 PolarHBondContact O-N 3.25Å; I77-Q81 PolarHBondContact O-N 2.94Å; I77-I82 HydrophobicContact CB-CD1 4.44Å; I77-I82 HydrophobicContact CG1-CD1 4.2Å; I77-I82 HydrophobicContact CG2-CB 4.16Å; I77-I82 HydrophobicContact CG2-CD1 4.48Å; I77-I82 PolarHBondContact O-N 3.44Å; I77-W87 HydrophobicContact CD1-CH2 3.97Å; I77-W87 HydrophobicContact CD1-CZ2 4.44Å; I77-F122 HydrophobicContact CD1-CE1 3.82Å; I77-F122 HydrophobicContact CD1-CZ 3.92Å; I77-V140 HydrophobicContact CG2-CG2 3.52Å; I77-V324 HydrophobicContact CG1-CG2 4.01Å
78	R	98.4	Very high	98.5	Very high	112 Å²	112	34.3 Å²	34.3	42%	0.423	17%	0.173	S	C	.	.	H	α-helix	trans	-65.7	-44.2	178.6	-64.8	-57.7	-171.3	168.9	8.9	111.9	I74 P75 K76 G80 Q81 D120 T121 K138	I74-R78 HydrophobicContact CG2-CG 4.45Å; I74-R78 WeakPolarHBondContact O-CG 3.44Å; I74-R78 PolarHBondContact O-N 3.41Å; P75-R78 PolarHBondContact O-N 3.14Å; K76-R78 VanDerWaalsContact C-N 3.29Å; K76-R78 PolarHBondContact O-N 3.17Å; R78-G80 VanDerWaalsContact C-N 3.32Å; R78-G80 PolarHBondContact O-N 2.81Å; R78-Q81 PolarHBondContact O-N 3.47Å; R78-D120 PolarHBondContact NH2-O 2.88Å; R78-T121 VanDerWaalsContact NH2-CA 3.3Å; R78-T121 PolarHBondContact NH2-OG1 3.35Å; R78-K138 PolarHBondContact NH1-O 2.62Å
79	K	98.5	Very high	98.7	Very high	141 Å²	141	28.5 Å²	28.5	61%	0.613	14%	0.142	S	C	*	.	H	α-helix	trans	-65.4	-35.4	178	-177.1	176.9	171.8	-166.6	0	112.2	P75 K76 Q81	P75-K79 WeakPolarHBondContact O-CB 3.43Å; P75-K79 PolarHBondContact O-N 2.61Å; K76-K79 PolarHBondContact O-N 2.9Å; K79-Q81 PolarHBondContact O-N 3Å
80	G	98.4	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.4	174.9	0	0	0	0	0	114.9	M35 K76 I77 R78 I82 V324	M35-G80 WeakPolarHBondContact CE-O 3.47Å; K76-G80 PolarHBondContact O-N 3.48Å; I77-G80 PolarHBondContact O-N 3.25Å; R78-G80 VanDerWaalsContact C-N 3.32Å; R78-G80 PolarHBondContact O-N 2.81Å; G80-I82 PolarHBondContact O-N 3.37Å; G80-V324 WeakPolarHBondContact CA-O 3.19Å
81	Q	98.1	Very high	98.8	Very high	43 Å²	43	24.6 Å²	24.6	20%	0.201	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.1	179.2	-57.6	-179.5	-69.5	0	0	114	Q32 M35 I77 R78 K79 G83	Q32-Q81 PolarHBondContact O-NE2 3.34Å; Q32-Q81 VanDerWaalsContact O-NE2 3.13Å; M35-Q81 HydrophobicContact CB-CB 4.11Å; M35-Q81 HydrophobicContact CE-CB 4.02Å; I77-Q81 PolarHBondContact O-N 2.94Å; R78-Q81 PolarHBondContact O-N 3.47Å; K79-Q81 PolarHBondContact O-N 3Å; Q81-G83 PolarHBondContact O-N 3.18Å
82	I	98.6	Very high	98.7	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.051	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.9	177.9	-54.9	170.8	0	0	0	108.4	L40 I77 G80 A84 V140 V324 Y327	L40-I82 HydrophobicContact CD2-CG1 4.35Å; L40-I82 HydrophobicContact CD2-CG2 4.38Å; I77-I82 HydrophobicContact CB-CD1 4.44Å; I77-I82 HydrophobicContact CG1-CD1 4.2Å; I77-I82 HydrophobicContact CG2-CB 4.16Å; I77-I82 HydrophobicContact CG2-CD1 4.48Å; I77-I82 PolarHBondContact O-N 3.44Å; G80-I82 PolarHBondContact O-N 3.37Å; I82-A84 VanDerWaalsContact CG2-O 3.31Å; I82-A84 WeakPolarHBondContact CG2-O 3.32Å; I82-V140 WeakPolarHBondContact O-CG2 3.44Å; I82-V324 HydrophobicContact CD1-CB 3.8Å; I82-V324 HydrophobicContact CD1-CG2 4.19Å; I82-Y327 HydrophobicContact CD1-CD2 4.06Å; I82-Y327 HydrophobicContact CD1-CE2 3.67Å; I82-Y327 HydrophobicContact CG1-CD2 3.98Å; I82-Y327 HydrophobicContact CG1-CE2 3.99Å
83	G	98.6	Very high	98.7	Very high	7 Å²	7	25.2 Å²	25.2	7%	0.072	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-32	177	0	0	0	0	0	113	L40 Q81 F135 V140 A141	L40-G83 WeakPolarHBondContact O-CA 3.27Å; L40-G83 PolarHBondContact O-N 2.82Å; Q81-G83 PolarHBondContact O-N 3.18Å; G83-F135 VanDerWaalsContact O-CE1 3.25Å; G83-F135 WeakPolarHBondContact O-CE1 3.49Å; G83-V140 CarbonylContact O-C 3.57Å; G83-V140 VanDerWaalsContact O-CA 3.23Å; G83-V140 WeakPolarHBondContact O-CA 3.46Å; G83-A141 PolarHBondContact O-N 3.41Å
84	A	98.9	Very high	98.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.6	175	0	0	0	0	0	111.4	L40 I41 D42 I82 I131 F135 A141 L143	L40-A84 PolarHBondContact O-N 3.18Å; I41-A84 WeakPolarHBondContact CA-O 3.29Å; I41-A84 HydrophobicContact CB-CB 4.24Å; I41-A84 HydrophobicContact CG1-CB 4.01Å; I41-A84 HydrophobicContact CG2-CB 3.67Å; D42-A84 PolarHBondContact N-O 3.49Å; I82-A84 VanDerWaalsContact CG2-O 3.31Å; I82-A84 WeakPolarHBondContact CG2-O 3.32Å; A84-I131 HydrophobicContact CB-CG1 4.49Å; A84-I131 HydrophobicContact CB-CG2 4.04Å; A84-F135 HydrophobicContact CB-CE1 3.92Å; A84-F135 HydrophobicContact CB-CZ 4.39Å; A84-A141 CarbonylContact C-O 3.48Å; A84-A141 WeakPolarHBondContact CA-O 3.46Å; A84-A141 HydrophobicContact CB-CB 3.58Å; A84-L143 HydrophobicContact CB-CD1 4.26Å
85	Q	98.9	Very high	98.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.7	-179.7	-178.1	66.9	72.1	0	0	108.9	D42 N45 W87 V140 A141 L143	D42-Q85 PolarHBondContact O-NE2 3.27Å; D42-Q85 PolarHBondContact OD1-NE2 3.07Å; N45-Q85 HydrophobicContact CB-CG 4.03Å; Q85-W87 HydrophobicContact CB-CD2 4.28Å; Q85-W87 HydrophobicContact CB-CH2 4.3Å; Q85-W87 HydrophobicContact CB-CZ2 3.81Å; Q85-W87 HydrophobicContact CG-CD2 3.55Å; Q85-W87 HydrophobicContact CG-CE3 3.62Å; Q85-W87 HydrophobicContact CG-CG 4.25Å; Q85-W87 HydrophobicContact CG-CH2 3.72Å; Q85-W87 HydrophobicContact CG-CZ2 3.64Å; Q85-W87 HydrophobicContact CG-CZ3 3.7Å; Q85-V140 HydrophobicContact CB-CG1 4.41Å; Q85-A141 PolarHBondContact N-O 3.39Å; Q85-L143 PolarHBondContact O-N 2.96Å
86	F	98.9	Very high	98.7	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.3	158	-81.2	-94.3	0	0	0	109.1	D42 G43 N45 L143 R168 Y169 L215 L352 M356	D42-F86 PolarHBondContact O-N 3.02Å; G43-F86 VanDerWaalsContact O-CB 3.24Å; G43-F86 WeakPolarHBondContact O-CB 3.4Å; N45-F86 PolarHBondContact N-O 3.18Å; F86-L143 HydrophobicContact CD1-CB 3.62Å; F86-L143 HydrophobicContact CD2-CB 4.32Å; F86-L143 HydrophobicContact CD2-CD1 4.37Å; F86-L143 HydrophobicContact CE1-CB 3.66Å; F86-L143 HydrophobicContact CE1-CD2 4.05Å; F86-L143 HydrophobicContact CE1-CG 4.38Å; F86-L143 HydrophobicContact CE2-CB 4.32Å; F86-L143 HydrophobicContact CE2-CD1 4.19Å; F86-L143 HydrophobicContact CE2-CD2 4.17Å; F86-L143 HydrophobicContact CE2-CG 4.45Å; F86-L143 HydrophobicContact CG-CB 3.99Å; F86-L143 HydrophobicContact CZ-CB 4.02Å; F86-L143 HydrophobicContact CZ-CD2 3.71Å; F86-L143 HydrophobicContact CZ-CG 4.28Å; F86-R168 HydrophobicContact CE1-CB 4.03Å; F86-Y169 HydrophobicContact CB-CD1 4.4Å; F86-Y169 HydrophobicContact CB-CE1 3.57Å; F86-Y169 AromaticContact CD1-CD1 3.27Å; F86-Y169 HydrophobicContact CD1-CD1 3.27Å; F86-Y169 AromaticContact CD1-CE1 3.32Å; F86-Y169 HydrophobicContact CD1-CE1 3.32Å; F86-Y169 HydrophobicContact CD1-CG 4.44Å; F86-Y169 AromaticContact CE1-CD1 3.57Å; F86-Y169 HydrophobicContact CE1-CD1 3.57Å; F86-Y169 HydrophobicContact CE1-CE1 4.1Å; F86-Y169 AromaticContact CG-CD1 3.92Å; F86-Y169 HydrophobicContact CG-CD1 3.92Å; F86-Y169 AromaticContact CG-CE1 3.57Å; F86-Y169 HydrophobicContact CG-CE1 3.57Å; F86-Y169 HydrophobicContact CZ-CD1 4.43Å; F86-L215 HydrophobicContact CE1-CD1 4.29Å; F86-L215 HydrophobicContact CZ-CD1 3.94Å; F86-L352 HydrophobicContact CD2-CD2 4.36Å; F86-L352 HydrophobicContact CE2-CD2 3.89Å; F86-M356 HydrophobicContact CE2-SD 4.27Å; F86-M356 HydrophobicContact CZ-CE 4.24Å; F86-M356 HydrophobicContact CZ-SD 4.01Å
87	W	99	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.8	175.9	-58.7	108.2	0	0	0	109.7	N45 L47 P48 T72 I77 Q85 A89 I111 M114 F122 S142 L143 G145	N45-W87 HydrophobicContact CB-CE3 4.14Å; N45-W87 HydrophobicContact CB-CZ3 4.15Å; N45-W87 WeakPolarHBondContact OD1-CZ3 3.26Å; L47-W87 HydrophobicContact CB-CE3 4.11Å; L47-W87 HydrophobicContact CB-CZ3 3.75Å; L47-W87 HydrophobicContact CD2-CH2 4.11Å; L47-W87 HydrophobicContact CD2-CZ3 3.84Å; L47-W87 HydrophobicContact CG-CZ3 4.42Å; P48-W87 HydrophobicContact CG-CB 3.9Å; T72-W87 HydrophobicContact CG2-CH2 3.98Å; T72-W87 HydrophobicContact CG2-CZ3 4.07Å; I77-W87 HydrophobicContact CD1-CH2 3.97Å; I77-W87 HydrophobicContact CD1-CZ2 4.44Å; Q85-W87 HydrophobicContact CB-CD2 4.28Å; Q85-W87 HydrophobicContact CB-CH2 4.3Å; Q85-W87 HydrophobicContact CB-CZ2 3.81Å; Q85-W87 HydrophobicContact CG-CD2 3.55Å; Q85-W87 HydrophobicContact CG-CE3 3.62Å; Q85-W87 HydrophobicContact CG-CG 4.25Å; Q85-W87 HydrophobicContact CG-CH2 3.72Å; Q85-W87 HydrophobicContact CG-CZ2 3.64Å; Q85-W87 HydrophobicContact CG-CZ3 3.7Å; W87-A89 PolarHBondContact O-N 3.33Å; W87-I111 HydrophobicContact CB-CD1 3.8Å; W87-I111 HydrophobicContact CB-CG1 3.93Å; W87-I111 HydrophobicContact CB-CG2 4.03Å; W87-I111 HydrophobicContact CG-CG2 4.15Å; W87-M114 HydrophobicContact CD2-CE 3.71Å; W87-M114 VanDerWaalsContact CE2-CE 3.48Å; W87-M114 HydrophobicContact CE3-CE 4.3Å; W87-M114 HydrophobicContact CG-CE 4.01Å; W87-M114 HydrophobicContact CH2-CE 4.44Å; W87-M114 HydrophobicContact CZ2-CE 3.88Å; W87-F122 HydrophobicContact CZ2-CD1 4.37Å; W87-F122 AromaticContact CZ2-CE1 3.86Å; W87-F122 HydrophobicContact CZ2-CE1 3.86Å; W87-F122 HydrophobicContact CZ2-CZ 4.42Å; W87-S142 VanDerWaalsContact NE1-CB 3.26Å; W87-S142 PolarHBondContact NE1-OG 3.39Å; W87-L143 PolarHBondContact N-O 3.37Å; W87-G145 PolarHBondContact O-N 2.98Å; W87-G145 VanDerWaalsContact O-N 3.07Å
88	A	98.9	Very high	98.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.5	-179.3	0	0	0	0	0	110.5	N45 P48 Y90	N45-A88 PolarHBondContact O-N 3.4Å; P48-A88 WeakPolarHBondContact CB-O 3.36Å; P48-A88 WeakPolarHBondContact CG-O 3.46Å; A88-Y90 PolarHBondContact O-N 2.91Å; A88-Y90 VanDerWaalsContact O-N 3.11Å
89	A	98.9	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.			trans	-83.1	58.4	164.5	0	0	0	0	0	109.6	W87 Q107 I108 I111 I144 G145 V146	W87-A89 PolarHBondContact O-N 3.33Å; A89-Q107 HydrophobicContact CB-CB 4.04Å; A89-I108 HydrophobicContact CB-CG1 4Å; A89-I111 HydrophobicContact CB-CD1 4.1Å; A89-I144 HydrophobicContact CB-CG2 3.86Å; A89-G145 PolarHBondContact N-O 3.46Å; A89-V146 HydrophobicContact CB-CG2 4.15Å
90	Y	98.9	Very high	98.6	Very high	32 Å²	32	26 Å²	26	13%	0.125	13%	0.129	C	C	.	.			trans	-75.9	141.5	-178.4	165.7	-110.1	0	0	0	112.3	W49 A88 P92 E147 H174	W49-Y90 HydrophobicContact CB-CD1 4.24Å; W49-Y90 AromaticContact CD2-CD1 3.93Å; W49-Y90 HydrophobicContact CD2-CD1 3.93Å; W49-Y90 HydrophobicContact CD2-CE1 4.06Å; W49-Y90 HydrophobicContact CE3-CD1 4.06Å; W49-Y90 HydrophobicContact CE3-CE1 4.28Å; W49-Y90 AromaticContact CG-CD1 3.98Å; W49-Y90 HydrophobicContact CG-CD1 3.98Å; W49-Y90 HydrophobicContact CG-CE1 4.37Å; A88-Y90 PolarHBondContact O-N 2.91Å; A88-Y90 VanDerWaalsContact O-N 3.11Å; Y90-P92 HydrophobicContact CE1-CG 4.04Å; Y90-P92 WeakPolarHBondContact OH-CA 3.38Å; Y90-E147 WeakPolarHBondContact CB-OE2 3.32Å; Y90-E147 HydrophobicContact CD2-CB 4.33Å; Y90-E147 WeakPolarHBondContact CD2-OE2 3.3Å; Y90-H174 AromaticContact CE2-CE1 3.73Å; Y90-H174 AromaticContact CE2-CG 3.93Å; Y90-H174 AromaticContact CE2-ND1 3.7Å
91	V	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.			trans	-134.2	140.3	165.5	-58.7	0	0	0	0	110.4	A100 Q103 Q107 H150	V91-A100 HydrophobicContact CG2-CB 4.33Å; V91-Q103 HydrophobicContact CB-CB 4.24Å; V91-Q103 HydrophobicContact CG1-CB 3.52Å; V91-Q107 HydrophobicContact CG1-CG 4.22Å; V91-H150 WeakPolarHBondContact CG2-NE2 3.26Å; V91-H150 PolarHBondContact O-NE2 2.78Å
92	P	98.8	Very high	98.7	Very high	23 Å²	23	32.8 Å²	32.8	15%	0.149	16%	0.158	C	C	.	.			trans	-59.7	148.8	-177.6	-27.4	36.4	0	0	0	114.7	W49 Y90 D94 T95	W49-P92 HydrophobicContact CH2-CG 3.56Å; W49-P92 HydrophobicContact CZ2-CG 4.21Å; W49-P92 HydrophobicContact CZ3-CG 3.89Å; Y90-P92 HydrophobicContact CE1-CG 4.04Å; Y90-P92 WeakPolarHBondContact OH-CA 3.38Å; P92-D94 VanDerWaalsContact CB-OD1 3.27Å; P92-D94 WeakPolarHBondContact CB-OD1 3.27Å; P92-D94 PolarHBondContact O-N 2.96Å; P92-D94 VanDerWaalsContact O-N 3.14Å; P92-T95 HydrophobicContact CB-CG2 4.45Å; P92-T95 WeakPolarHBondContact O-CB 3.39Å; P92-T95 WeakPolarHBondContact O-CG2 3.49Å; P92-T95 PolarHBondContact O-N 3.25Å; P92-T95 PolarHBondContact O-OG1 3.32Å
93	C	98.6	Very high	98.7	Very high	32 Å²	32	33.3 Å²	33.3	22%	0.216	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-57.4	-28	-180	-83.7	0	0	0	0	114.1	T95 Q96 H174 S175 C176	C93-T95 PolarHBondContact O-N 3.31Å; C93-Q96 VanDerWaalsContact O-CB 3.23Å; C93-Q96 WeakPolarHBondContact O-CB 3.3Å; C93-Q96 PolarHBondContact O-N 3.36Å; C93-Q96 VanDerWaalsContact O-N 3.13Å; C93-H174 PolarHBondContact SG-ND1 2.96Å; C93-S175 VanDerWaalsContact SG-C 3.58Å; C93-C176 HydrophobicContact CB-CB 3.64Å; C93-C176 WeakPolarHBondContact CB-SG 3.49Å; C93-C176 WeakPolarHBondContact SG-CB 3.47Å; C93-C176 PolarHBondContact SG-N 2.81Å; C93-C176 CovalentContact SG-SG 2.04Å; C93-C176 PolarHBondContact SG-SG 2.93Å
94	D	98.2	Very high	98.7	Very high	109 Å²	109	33 Å²	33	58%	0.583	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-73.1	-6.6	179.1	70.5	-16	0	0	0	113.7	P92 K98	P92-D94 VanDerWaalsContact CB-OD1 3.27Å; P92-D94 WeakPolarHBondContact CB-OD1 3.27Å; P92-D94 PolarHBondContact O-N 2.96Å; P92-D94 VanDerWaalsContact O-N 3.14Å; D94-K98 WeakPolarHBondContact O-CD 3.33Å; D94-K98 WeakPolarHBondContact O-CE 3.34Å; D94-K98 PolarHBondContact O-NZ 3.18Å
95	T	98.7	Very high	98.7	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.037	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-84.3	-14.6	170.4	70.9	0	0	0	0	112.8	P92 C93 Y97 K98 D99 A100	P92-T95 HydrophobicContact CB-CG2 4.45Å; P92-T95 WeakPolarHBondContact O-CB 3.39Å; P92-T95 WeakPolarHBondContact O-CG2 3.49Å; P92-T95 PolarHBondContact O-N 3.25Å; P92-T95 PolarHBondContact O-OG1 3.32Å; C93-T95 PolarHBondContact O-N 3.31Å; T95-Y97 PolarHBondContact O-N 2.89Å; T95-K98 WeakPolarHBondContact O-CA 3.41Å; T95-K98 WeakPolarHBondContact O-CB 3.46Å; T95-K98 PolarHBondContact O-N 3.35Å; T95-D99 PolarHBondContact O-N 2.99Å; T95-A100 WeakPolarHBondContact O-CB 3.49Å; T95-A100 PolarHBondContact O-N 2.83Å; T95-A100 VanDerWaalsContact O-N 3.14Å; T95-A100 WeakPolarHBondContact OG1-CB 3.47Å
96	Q	98.6	Very high	98.7	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.103	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	138.1	173.8	-176.7	166.6	-147.8	0	0	110	C93 K98 H150 N177	C93-Q96 VanDerWaalsContact O-CB 3.23Å; C93-Q96 WeakPolarHBondContact O-CB 3.3Å; C93-Q96 PolarHBondContact O-N 3.36Å; C93-Q96 VanDerWaalsContact O-N 3.13Å; Q96-K98 PolarHBondContact O-N 2.86Å; Q96-H150 HydrophobicContact CB-CB 3.71Å; Q96-H150 VanDerWaalsContact CD-CB 3.48Å; Q96-H150 HydrophobicContact CG-CB 3.61Å; Q96-N177 PolarHBondContact NE2-O 3.45Å; Q96-N177 PolarHBondContact OE1-O 2.76Å
97	Y	97.9	Very high	98.7	Very high	65 Å²	65	38.5 Å²	38.5	26%	0.255	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	19.7	-172.3	-43.9	-54.8	0	0	0	115	T95 P179 V381 N383 C385	T95-Y97 PolarHBondContact O-N 2.89Å; Y97-P179 HydrophobicContact CE1-CG 3.75Å; Y97-P179 VanDerWaalsContact OH-CD 3.32Å; Y97-P179 WeakPolarHBondContact OH-CD 3.47Å; Y97-P179 VanDerWaalsContact OH-CG 3.23Å; Y97-P179 WeakPolarHBondContact OH-CG 3.25Å; Y97-V381 HydrophobicContact CD1-CG1 4.5Å; Y97-V381 HydrophobicContact CE1-CG1 4.18Å; Y97-N383 WeakPolarHBondContact CA-ND2 3.42Å; Y97-N383 HydrophobicContact CD1-CB 3.75Å; Y97-N383 HydrophobicContact CG-CB 4.2Å; Y97-N383 PolarHBondContact O-OD1 2.78Å; Y97-C385 WeakPolarHBondContact O-CB 3.38Å
98	K	98.3	Very high	98.7	Very high	138 Å²	138	38.7 Å²	38.7	60%	0.6	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132	-97.9	176	-60	177.1	-168.3	152.9	0	110.1	D94 T95 Q96	D94-K98 WeakPolarHBondContact O-CD 3.33Å; D94-K98 WeakPolarHBondContact O-CE 3.34Å; D94-K98 PolarHBondContact O-NZ 3.18Å; T95-K98 WeakPolarHBondContact O-CA 3.41Å; T95-K98 WeakPolarHBondContact O-CB 3.46Å; T95-K98 PolarHBondContact O-N 3.35Å; Q96-K98 PolarHBondContact O-N 2.86Å
99	D	98.4	Very high	98.7	Very high	52 Å²	52	42 Å²	42	28%	0.278	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	17.6	-171.9	65.5	-22.7	0	0	0	112.8	T95 V101 R102 Q103	T95-D99 PolarHBondContact O-N 2.99Å; D99-V101 VanDerWaalsContact C-N 3.34Å; D99-V101 PolarHBondContact O-N 3.23Å; D99-R102 PolarHBondContact O-N 3.16Å; D99-R102 VanDerWaalsContact O-N 3.08Å; D99-Q103 WeakPolarHBondContact O-CG 3.47Å; D99-Q103 PolarHBondContact O-N 3.46Å; D99-Q103 PolarHBondContact OD1-NE2 2.73Å; D99-Q103 PolarHBondContact OD2-NE2 3.23Å
100	A	98.8	Very high	98.7	Very high	4 Å²	4	42 Å²	42	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-45.5	-54.4	176.7	0	0	0	0	0	112.3	V91 T95 R102 Q103 T104	V91-A100 HydrophobicContact CG2-CB 4.33Å; T95-A100 WeakPolarHBondContact O-CB 3.49Å; T95-A100 PolarHBondContact O-N 2.83Å; T95-A100 VanDerWaalsContact O-N 3.14Å; T95-A100 WeakPolarHBondContact OG1-CB 3.47Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 2.98Å; A100-Q103 PolarHBondContact O-N 2.92Å; A100-Q103 VanDerWaalsContact O-N 3.15Å; A100-T104 PolarHBondContact O-N 2.77Å; A100-T104 PolarHBondContact O-OG1 2.76Å
101	V	98.8	Very high	98.7	Very high	41 Å²	41	40.5 Å²	40.5	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-47.9	-179.6	-177.8	0	0	0	0	111.6	D99 T104 L105 S151 D153 T158	D99-V101 VanDerWaalsContact C-N 3.34Å; D99-V101 PolarHBondContact O-N 3.23Å; V101-T104 PolarHBondContact O-N 2.82Å; V101-L105 HydrophobicContact CG1-CD1 4.32Å; V101-L105 VanDerWaalsContact O-CG 3.27Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.33Å; V101-S151 WeakPolarHBondContact CG2-O 3.39Å; V101-D153 HydrophobicContact CG2-CB 3.62Å; V101-T158 HydrophobicContact CG1-CG2 3.9Å; V101-T158 HydrophobicContact CG2-CG2 4.39Å
102	R	98.9	Very high	98.7	Very high	145 Å²	145	43 Å²	43	55%	0.547	21%	0.208	S	C	.	.	H	α-helix	trans	-62	-48.6	179	175.5	-167.5	152.7	-148.8	-8.2	110.6	D99 A100 T104 L105 E106	D99-R102 PolarHBondContact O-N 3.16Å; D99-R102 VanDerWaalsContact O-N 3.08Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 2.98Å; R102-T104 VanDerWaalsContact C-N 3.31Å; R102-T104 PolarHBondContact O-N 3.14Å; R102-L105 WeakPolarHBondContact O-CB 3.18Å; R102-L105 PolarHBondContact O-N 3.41Å; R102-E106 IonicContact CZ-OE1 3.04Å; R102-E106 IonicContact NE-OE1 3.44Å; R102-E106 PolarHBondContact NE-OE1 3.14Å; R102-E106 IonicContact NH2-OE1 2.89Å; R102-E106 PolarHBondContact NH2-OE1 3.04Å; R102-E106 IonicContact NH2-OE2 2.83Å; R102-E106 WeakPolarHBondContact O-CG 3.37Å; R102-E106 PolarHBondContact O-N 3.28Å
103	Q	98.9	Very high	98.7	Very high	21 Å²	21	45.7 Å²	45.7	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-39	-178.7	-65.6	-161.7	41.7	0	0	111	V91 D99 A100 L105 E106 Q107	V91-Q103 HydrophobicContact CB-CB 4.24Å; V91-Q103 HydrophobicContact CG1-CB 3.52Å; D99-Q103 WeakPolarHBondContact O-CG 3.47Å; D99-Q103 PolarHBondContact O-N 3.46Å; D99-Q103 PolarHBondContact OD1-NE2 2.73Å; D99-Q103 PolarHBondContact OD2-NE2 3.23Å; A100-Q103 PolarHBondContact O-N 2.92Å; A100-Q103 VanDerWaalsContact O-N 3.15Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 3.05Å; Q103-E106 WeakPolarHBondContact O-CB 3.45Å; Q103-E106 PolarHBondContact O-N 2.97Å; Q103-E106 VanDerWaalsContact O-N 3.15Å; Q103-Q107 WeakPolarHBondContact O-CG 3.25Å; Q103-Q107 PolarHBondContact O-N 3.45Å
104	T	98.9	Very high	98.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-41.2	176.2	-52.7	0	0	0	0	110.8	A100 V101 R102 E106 Q107 I108 V146 S151 M162	A100-T104 PolarHBondContact O-N 2.77Å; A100-T104 PolarHBondContact O-OG1 2.76Å; V101-T104 PolarHBondContact O-N 2.82Å; R102-T104 VanDerWaalsContact C-N 3.31Å; R102-T104 PolarHBondContact O-N 3.14Å; T104-E106 VanDerWaalsContact C-N 3.34Å; T104-E106 PolarHBondContact O-N 3.43Å; T104-Q107 PolarHBondContact O-N 3.15Å; T104-I108 HydrophobicContact CG2-CD1 4.06Å; T104-I108 WeakPolarHBondContact O-CB 3.42Å; T104-I108 VanDerWaalsContact O-CG1 3.29Å; T104-I108 WeakPolarHBondContact O-CG1 3.18Å; T104-I108 PolarHBondContact O-N 2.75Å; T104-V146 HydrophobicContact CG2-CG1 4.02Å; T104-V146 HydrophobicContact CG2-CG2 3.89Å; T104-S151 WeakPolarHBondContact OG1-CB 3.43Å; T104-S151 PolarHBondContact OG1-OG 3.39Å; T104-M162 HydrophobicContact CG2-CE 3.51Å; T104-M162 HydrophobicContact CG2-SD 4.2Å
105	L	98.9	Very high	98.8	Very high	66 Å²	66	39.4 Å²	39.4	35%	0.346	18%	0.18	S	C	.	.	H	α-helix	trans	-62.1	-39.3	173.7	-66.8	173.4	0	0	0	112.3	V101 R102 Q103 Q107 I108 D109 L165	V101-L105 HydrophobicContact CG1-CD1 4.32Å; V101-L105 VanDerWaalsContact O-CG 3.27Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.33Å; R102-L105 WeakPolarHBondContact O-CB 3.18Å; R102-L105 PolarHBondContact O-N 3.41Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 3.05Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-I108 HydrophobicContact CD2-CD1 4.49Å; L105-I108 PolarHBondContact O-N 3.43Å; L105-D109 WeakPolarHBondContact O-CB 3.48Å; L105-D109 PolarHBondContact O-N 2.75Å; L105-L165 HydrophobicContact CD2-CD1 3.34Å
106	E	98.9	Very high	98.8	Very high	53 Å²	53	43.5 Å²	43.5	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-35.7	174.3	-69.7	174.1	174.3	0	0	112.3	R52 R102 Q103 T104 V110	R52-E106 IonicContact CZ-OE2 4Å; R52-E106 IonicContact NH1-OE2 2.75Å; R52-E106 PolarHBondContact NH1-OE2 2.9Å; R52-E106 IonicContact NH2-OE2 3.3Å; R102-E106 IonicContact CZ-OE1 3.04Å; R102-E106 IonicContact NE-OE1 3.44Å; R102-E106 PolarHBondContact NE-OE1 3.14Å; R102-E106 IonicContact NH2-OE1 2.89Å; R102-E106 PolarHBondContact NH2-OE1 3.04Å; R102-E106 IonicContact NH2-OE2 2.83Å; R102-E106 WeakPolarHBondContact O-CG 3.37Å; R102-E106 PolarHBondContact O-N 3.28Å; Q103-E106 WeakPolarHBondContact O-CB 3.45Å; Q103-E106 PolarHBondContact O-N 2.97Å; Q103-E106 VanDerWaalsContact O-N 3.15Å; T104-E106 VanDerWaalsContact C-N 3.34Å; T104-E106 PolarHBondContact O-N 3.43Å; E106-V110 PolarHBondContact O-N 3.49Å
107	Q	98.9	Very high	98.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-41.2	175.8	-65.2	-58.5	96.5	0	0	112	P48 N57 A89 V91 Q103 T104 L105 D109 V110 I111	P48-Q107 VanDerWaalsContact C-NE2 3.27Å; P48-Q107 PolarHBondContact O-NE2 3.4Å; N57-Q107 PolarHBondContact ND2-OE1 2.91Å; A89-Q107 HydrophobicContact CB-CB 4.04Å; V91-Q107 HydrophobicContact CG1-CG 4.22Å; Q103-Q107 WeakPolarHBondContact O-CG 3.25Å; Q103-Q107 PolarHBondContact O-N 3.45Å; T104-Q107 PolarHBondContact O-N 3.15Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-D109 VanDerWaalsContact C-N 3.31Å; Q107-D109 PolarHBondContact O-N 3.36Å; Q107-V110 VanDerWaalsContact O-CG1 3.24Å; Q107-V110 WeakPolarHBondContact O-CG1 3.46Å; Q107-V110 PolarHBondContact O-N 2.96Å; Q107-I111 WeakPolarHBondContact O-CD1 3.34Å; Q107-I111 WeakPolarHBondContact O-CG1 3.45Å; Q107-I111 PolarHBondContact O-N 2.9Å
108	I	98.9	Very high	98.8	Very high	4 Å²	4	44 Å²	44	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-56.1	-48.3	170.2	-72	165.9	0	0	0	109.9	A89 T104 L105 V110 I111 H112 I144 V146 M162 L165 V167	A89-I108 HydrophobicContact CB-CG1 4Å; T104-I108 HydrophobicContact CG2-CD1 4.06Å; T104-I108 WeakPolarHBondContact O-CB 3.42Å; T104-I108 VanDerWaalsContact O-CG1 3.29Å; T104-I108 WeakPolarHBondContact O-CG1 3.18Å; T104-I108 PolarHBondContact O-N 2.75Å; L105-I108 HydrophobicContact CD2-CD1 4.49Å; L105-I108 PolarHBondContact O-N 3.43Å; I108-V110 PolarHBondContact O-N 3.17Å; I108-I111 PolarHBondContact O-N 3.02Å; I108-H112 PolarHBondContact O-CD2 3.11Å; I108-H112 PolarHBondContact O-N 3.21Å; I108-H112 VanDerWaalsContact O-N 3.14Å; I108-I144 HydrophobicContact CG1-CG2 4.21Å; I108-I144 HydrophobicContact CG2-CD1 4.01Å; I108-V146 HydrophobicContact CD1-CG2 4.39Å; I108-M162 HydrophobicContact CD1-CG 4.13Å; I108-L165 HydrophobicContact CG2-CB 3.99Å; I108-V167 HydrophobicContact CD1-CG2 3.73Å; I108-V167 HydrophobicContact CG1-CG2 4.14Å
109	D	98.9	Very high	98.8	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-59.5	-44.3	177.6	164.8	73.6	0	0	0	112.8	L105 Q107 I111 H112 R113	L105-D109 WeakPolarHBondContact O-CB 3.48Å; L105-D109 PolarHBondContact O-N 2.75Å; Q107-D109 VanDerWaalsContact C-N 3.31Å; Q107-D109 PolarHBondContact O-N 3.36Å; D109-I111 PolarHBondContact O-N 3.41Å; D109-H112 WeakPolarHBondContact O-CB 3.42Å; D109-H112 PolarHBondContact O-N 3.35Å; D109-R113 PolarHBondContact O-N 2.8Å; D109-R113 IonicContact OD1-NE 3.79Å; D109-R113 PolarHBondContact OD1-NE 3.31Å; D109-R113 IonicContact OD2-CZ 3.32Å; D109-R113 IonicContact OD2-NE 2.91Å; D109-R113 PolarHBondContact OD2-NE 2.8Å; D109-R113 IonicContact OD2-NH2 3.5Å; D109-R113 PolarHBondContact OD2-NH2 3.19Å
110	V	98.9	Very high	98.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-32.2	-179.9	77.2	0	0	0	0	112.1	P48 L51 N57 L59 E106 Q107 I108 M114	P48-V110 HydrophobicContact CB-CG1 4.11Å; L51-V110 HydrophobicContact CD1-CG2 4.38Å; N57-V110 HydrophobicContact CB-CB 4.23Å; N57-V110 HydrophobicContact CB-CG2 3.94Å; L59-V110 HydrophobicContact CD1-CG2 4.16Å; L59-V110 HydrophobicContact CD2-CG2 3.76Å; L59-V110 HydrophobicContact CG-CG2 4Å; E106-V110 PolarHBondContact O-N 3.49Å; Q107-V110 VanDerWaalsContact O-CG1 3.24Å; Q107-V110 WeakPolarHBondContact O-CG1 3.46Å; Q107-V110 PolarHBondContact O-N 2.96Å; I108-V110 PolarHBondContact O-N 3.17Å; V110-M114 WeakPolarHBondContact O-CB 3.42Å; V110-M114 PolarHBondContact O-N 3.47Å
111	I	98.9	Very high	98.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-45.4	175	-62.8	159.8	0	0	0	110.5	P48 W87 A89 Q107 I108 D109 R113 M114 C115 I144	P48-I111 HydrophobicContact CB-CD1 4.3Å; P48-I111 HydrophobicContact CB-CG1 4Å; P48-I111 HydrophobicContact CG-CD1 3.89Å; P48-I111 HydrophobicContact CG-CG1 3.58Å; W87-I111 HydrophobicContact CB-CD1 3.8Å; W87-I111 HydrophobicContact CB-CG1 3.93Å; W87-I111 HydrophobicContact CB-CG2 4.03Å; W87-I111 HydrophobicContact CG-CG2 4.15Å; A89-I111 HydrophobicContact CB-CD1 4.1Å; Q107-I111 WeakPolarHBondContact O-CD1 3.34Å; Q107-I111 WeakPolarHBondContact O-CG1 3.45Å; Q107-I111 PolarHBondContact O-N 2.9Å; I108-I111 PolarHBondContact O-N 3.02Å; D109-I111 PolarHBondContact O-N 3.41Å; I111-R113 PolarHBondContact O-N 2.88Å; I111-M114 WeakPolarHBondContact O-CB 3.37Å; I111-M114 PolarHBondContact O-N 3.11Å; I111-C115 PolarHBondContact O-N 3.08Å; I111-C115 PolarHBondContact O-SG 3.32Å; I111-I144 HydrophobicContact CB-CD1 4.29Å; I111-I144 HydrophobicContact CB-CG1 4.22Å; I111-I144 HydrophobicContact CD1-CG1 4Å; I111-I144 HydrophobicContact CD1-CG2 4.05Å; I111-I144 HydrophobicContact CG2-CD1 4.17Å; I111-I144 HydrophobicContact CG2-CG1 3.75Å
112	H	98.9	Very high	98.8	Very high	52 Å²	52	43 Å²	43	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-47.9	174.5	-81	-71	0	0	0	112.3	I108 D109 M114 C115 S116 F124 L165	I108-H112 PolarHBondContact O-CD2 3.11Å; I108-H112 PolarHBondContact O-N 3.21Å; I108-H112 VanDerWaalsContact O-N 3.14Å; D109-H112 WeakPolarHBondContact O-CB 3.42Å; D109-H112 PolarHBondContact O-N 3.35Å; H112-M114 VanDerWaalsContact C-N 3.35Å; H112-M114 PolarHBondContact O-N 3.46Å; H112-C115 PolarHBondContact O-N 3.22Å; H112-S116 PolarHBondContact O-N 2.86Å; H112-S116 PolarHBondContact O-OG 2.64Å; H112-F124 AromaticContact CE1-CD1 3.93Å; H112-F124 AromaticContact CE1-CE1 3.37Å; H112-F124 WeakPolarHBondContact CE1-CE1 3.45Å; H112-F124 AromaticContact CE1-CE2 3.54Å; H112-F124 AromaticContact CE1-CZ 3.15Å; H112-F124 WeakPolarHBondContact CE1-CZ 3.36Å; H112-F124 AromaticContact ND1-CE2 3.9Å; H112-F124 AromaticContact ND1-CZ 3.91Å; H112-F124 AromaticContact NE2-CZ 3.8Å; H112-L165 PolarHBondContact CE1-O 2.93Å; H112-L165 PolarHBondContact NE2-O 3.37Å
113	R	98.9	Very high	98.8	Very high	80 Å²	80	38.3 Å²	38.3	30%	0.302	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-34.4	178.4	-71.3	-171.3	-69.9	106.1	2.1	112.4	N57 L59 D109 I111 S116 K117	N57-R113 PolarHBondContact O-NH1 3.09Å; N57-R113 VanDerWaalsContact O-NH1 3.08Å; N57-R113 PolarHBondContact O-NH2 2.87Å; L59-R113 HydrophobicContact CD1-CB 3.67Å; D109-R113 PolarHBondContact O-N 2.8Å; D109-R113 IonicContact OD1-NE 3.79Å; D109-R113 PolarHBondContact OD1-NE 3.31Å; D109-R113 IonicContact OD2-CZ 3.32Å; D109-R113 IonicContact OD2-NE 2.91Å; D109-R113 PolarHBondContact OD2-NE 2.8Å; D109-R113 IonicContact OD2-NH2 3.5Å; D109-R113 PolarHBondContact OD2-NH2 3.19Å; I111-R113 PolarHBondContact O-N 2.88Å; R113-S116 PolarHBondContact O-N 3.17Å; R113-K117 VanDerWaalsContact O-CB 3.27Å; R113-K117 WeakPolarHBondContact O-CB 3.37Å; R113-K117 PolarHBondContact O-N 2.83Å
114	M	98.9	Very high	98.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.5	177.4	179.2	74.9	0	0	110.6	L47 L51 L59 L64 W87 V110 I111 H112 S116 K117 Y118 F122	L47-M114 HydrophobicContact CD2-SD 4.1Å; L51-M114 HydrophobicContact CD1-SD 4.21Å; L59-M114 HydrophobicContact CD1-CB 4.31Å; L64-M114 HydrophobicContact CD1-CG 3.72Å; L64-M114 HydrophobicContact CD1-SD 3.73Å; W87-M114 HydrophobicContact CD2-CE 3.71Å; W87-M114 VanDerWaalsContact CE2-CE 3.48Å; W87-M114 HydrophobicContact CE3-CE 4.3Å; W87-M114 HydrophobicContact CG-CE 4.01Å; W87-M114 HydrophobicContact CH2-CE 4.44Å; W87-M114 HydrophobicContact CZ2-CE 3.88Å; V110-M114 WeakPolarHBondContact O-CB 3.42Å; V110-M114 PolarHBondContact O-N 3.47Å; I111-M114 WeakPolarHBondContact O-CB 3.37Å; I111-M114 PolarHBondContact O-N 3.11Å; H112-M114 VanDerWaalsContact C-N 3.35Å; H112-M114 PolarHBondContact O-N 3.46Å; M114-S116 VanDerWaalsContact C-N 3.32Å; M114-S116 PolarHBondContact O-N 2.84Å; M114-K117 PolarHBondContact O-N 3.36Å; M114-Y118 HydrophobicContact CG-CD2 4.46Å; M114-Y118 WeakPolarHBondContact O-CD2 3.31Å; M114-Y118 PolarHBondContact O-N 3.28Å; M114-Y118 VanDerWaalsContact O-N 3.17Å; M114-F122 HydrophobicContact CG-CD2 4.22Å; M114-F122 HydrophobicContact CG-CE2 4.1Å; M114-F122 HydrophobicContact SD-CE2 4.5Å
115	C	98.9	Very high	98.8	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-43.5	176.5	-60.8	0	0	0	0	111.7	I111 H112 K117 Y118 F122 F124 S142	I111-C115 PolarHBondContact O-N 3.08Å; I111-C115 PolarHBondContact O-SG 3.32Å; H112-C115 PolarHBondContact O-N 3.22Å; C115-K117 VanDerWaalsContact C-N 3.33Å; C115-K117 PolarHBondContact O-N 3.36Å; C115-Y118 CarbonylContact O-C 3.59Å; C115-Y118 PolarHBondContact O-N 2.96Å; C115-F122 HydrophobicContact CB-CB 4.15Å; C115-F124 HydrophobicContact CB-CB 4.33Å; C115-S142 WeakPolarHBondContact SG-CB 3.44Å
116	S	98.8	Very high	98.8	Very high	93 Å²	93	38.8 Å²	38.8	65%	0.65	20%	0.201	S	C	*	.	H	α-helix	trans	-66	-33.1	179.1	-57	0	0	0	0	113.2	H112 R113 M114	H112-S116 PolarHBondContact O-N 2.86Å; H112-S116 PolarHBondContact O-OG 2.64Å; R113-S116 PolarHBondContact O-N 3.17Å; M114-S116 VanDerWaalsContact C-N 3.32Å; M114-S116 PolarHBondContact O-N 2.84Å
117	K	98.8	Very high	98.8	Very high	77 Å²	77	37.3 Å²	37.3	34%	0.335	20%	0.196	S	C	.	.	H	α-helix	trans	-75.8	-32.5	-179.9	-178.6	172.1	174.7	178.6	0	112.7	L59 V62 R113 M114 C115 P119	L59-K117 HydrophobicContact CB-CD 4.13Å; L59-K117 PolarHBondContact O-NZ 3.01Å; V62-K117 PolarHBondContact O-NZ 2.96Å; V62-K117 VanDerWaalsContact O-NZ 3.13Å; R113-K117 VanDerWaalsContact O-CB 3.27Å; R113-K117 WeakPolarHBondContact O-CB 3.37Å; R113-K117 PolarHBondContact O-N 2.83Å; M114-K117 PolarHBondContact O-N 3.36Å; C115-K117 VanDerWaalsContact C-N 3.33Å; C115-K117 PolarHBondContact O-N 3.36Å; K117-P119 WeakPolarHBondContact O-CD 3.47Å
118	Y	98.8	Very high	98.8	Very high	20 Å²	20	37.7 Å²	37.7	8%	0.078	20%	0.199	C	C	.	.			trans	-121.8	61.5	-179.8	-51.1	-83.1	0	0	0	111.8	V62 D63 L64 I74 M114 C115 D120 T121 F122	V62-Y118 PolarHBondContact O-OH 3.06Å; D63-Y118 WeakPolarHBondContact CA-OH 3.13Å; L64-Y118 HydrophobicContact CB-CD2 4.49Å; L64-Y118 HydrophobicContact CB-CE1 4.34Å; L64-Y118 HydrophobicContact CB-CE2 3.94Å; L64-Y118 HydrophobicContact CD1-CD2 3.9Å; L64-Y118 HydrophobicContact CD1-CE2 3.58Å; L64-Y118 HydrophobicContact CG-CD2 4.37Å; L64-Y118 HydrophobicContact CG-CE2 3.64Å; L64-Y118 PolarHBondContact N-OH 3.28Å; I74-Y118 HydrophobicContact CD1-CD1 3.61Å; I74-Y118 HydrophobicContact CD1-CD2 4.37Å; I74-Y118 HydrophobicContact CD1-CE1 4.15Å; I74-Y118 HydrophobicContact CD1-CG 3.74Å; M114-Y118 HydrophobicContact CG-CD2 4.46Å; M114-Y118 WeakPolarHBondContact O-CD2 3.31Å; M114-Y118 PolarHBondContact O-N 3.28Å; M114-Y118 VanDerWaalsContact O-N 3.17Å; C115-Y118 CarbonylContact O-C 3.59Å; C115-Y118 PolarHBondContact O-N 2.96Å; Y118-D120 PolarHBondContact O-N 3.34Å; Y118-T121 PolarHBondContact O-N 3.27Å; Y118-F122 HydrophobicContact CD2-CD2 4.4Å; Y118-F122 HydrophobicContact CD2-CE2 4.17Å; Y118-F122 HydrophobicContact CG-CE2 4.39Å; Y118-F122 PolarHBondContact O-N 2.71Å
119	P	98.5	Very high	98.8	Very high	62 Å²	62	43.1 Å²	43.1	40%	0.403	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18	-172	30.8	-37.3	0	0	0	113.5	K117 K139	K117-P119 WeakPolarHBondContact O-CD 3.47Å; P119-K139 WeakPolarHBondContact O-CD 3.39Å; P119-K139 WeakPolarHBondContact O-CE 3.32Å; P119-K139 PolarHBondContact O-NZ 3.42Å
120	D	98.3	Very high	98.8	Very high	136 Å²	136	42 Å²	42	73%	0.727	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.2	174.1	-63.6	-27.3	0	0	0	112.3	R78 Y118	R78-D120 PolarHBondContact NH2-O 2.88Å; Y118-D120 PolarHBondContact O-N 3.34Å
121	T	98.7	Very high	98.8	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.074	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-50.7	177.9	-62.2	0	0	0	0	112.5	I74 R78 Y118 K139 V140	I74-T121 HydrophobicContact CG1-CG2 4.19Å; I74-T121 HydrophobicContact CG2-CG2 4.05Å; R78-T121 VanDerWaalsContact NH2-CA 3.3Å; R78-T121 PolarHBondContact NH2-OG1 3.35Å; Y118-T121 PolarHBondContact O-N 3.27Å; T121-K139 WeakPolarHBondContact O-CA 3.25Å; T121-V140 HydrophobicContact CG2-CG2 4.27Å; T121-V140 PolarHBondContact O-N 3.27Å
122	F	98.9	Very high	98.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.5	-172.2	-57.2	-56.3	0	0	0	111.4	L64 I74 I77 W87 M114 C115 Y118 V140	L64-F122 HydrophobicContact CD1-CE2 4.03Å; L64-F122 HydrophobicContact CD1-CZ 4.48Å; I74-F122 HydrophobicContact CD1-CE2 4.19Å; I74-F122 HydrophobicContact CG1-CE2 4.12Å; I74-F122 HydrophobicContact CG1-CZ 3.94Å; I77-F122 HydrophobicContact CD1-CE1 3.82Å; I77-F122 HydrophobicContact CD1-CZ 3.92Å; W87-F122 HydrophobicContact CZ2-CD1 4.37Å; W87-F122 AromaticContact CZ2-CE1 3.86Å; W87-F122 HydrophobicContact CZ2-CE1 3.86Å; W87-F122 HydrophobicContact CZ2-CZ 4.42Å; M114-F122 HydrophobicContact CG-CD2 4.22Å; M114-F122 HydrophobicContact CG-CE2 4.1Å; M114-F122 HydrophobicContact SD-CE2 4.5Å; C115-F122 HydrophobicContact CB-CB 4.15Å; Y118-F122 HydrophobicContact CD2-CD2 4.4Å; Y118-F122 HydrophobicContact CD2-CE2 4.17Å; Y118-F122 HydrophobicContact CG-CE2 4.39Å; Y118-F122 PolarHBondContact O-N 2.71Å; F122-V140 WeakPolarHBondContact CA-O 3.49Å; F122-V140 HydrophobicContact CD1-CB 3.94Å; F122-V140 HydrophobicContact CD1-CG1 4.17Å; F122-V140 HydrophobicContact CE1-CB 4.35Å; F122-V140 HydrophobicContact CE1-CG1 4.39Å
123	Q	98.8	Very high	98.7	Very high	47 Å²	47	44.3 Å²	44.3	22%	0.22	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.4	167.6	176.8	171.6	-41	0	0	108	A125 A134 K139 V140 A141 S142	Q123-A125 PolarHBondContact O-N 3.46Å; Q123-A134 HydrophobicContact CB-CB 4.04Å; Q123-A134 HydrophobicContact CG-CB 4.26Å; Q123-K139 HydrophobicContact CB-CB 3.96Å; Q123-K139 HydrophobicContact CB-CD 3.96Å; Q123-V140 PolarHBondContact N-O 3.16Å; Q123-A141 CarbonylContact O-C 3.51Å; Q123-A141 WeakPolarHBondContact O-CA 3.38Å; Q123-S142 PolarHBondContact O-N 2.97Å
124	F	98.8	Very high	98.7	Very high	63 Å²	63	40.5 Å²	40.5	28%	0.276	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.1	175.2	-174	-110.1	0	0	0	110.2	H112 C115 T126 S142 I144	H112-F124 AromaticContact CE1-CD1 3.93Å; H112-F124 AromaticContact CE1-CE1 3.37Å; H112-F124 WeakPolarHBondContact CE1-CE1 3.45Å; H112-F124 AromaticContact CE1-CE2 3.54Å; H112-F124 AromaticContact CE1-CZ 3.15Å; H112-F124 WeakPolarHBondContact CE1-CZ 3.36Å; H112-F124 AromaticContact ND1-CE2 3.9Å; H112-F124 AromaticContact ND1-CZ 3.91Å; H112-F124 AromaticContact NE2-CZ 3.8Å; C115-F124 HydrophobicContact CB-CB 4.33Å; F124-T126 HydrophobicContact CD1-CG2 4.02Å; F124-T126 HydrophobicContact CE1-CG2 3.22Å; F124-T126 HydrophobicContact CZ-CG2 3.62Å; F124-S142 WeakPolarHBondContact CD2-O 3.46Å; F124-I144 HydrophobicContact CE2-CD1 3.68Å; F124-I144 HydrophobicContact CE2-CG1 3.92Å; F124-I144 HydrophobicContact CZ-CD1 4.06Å
125	A	98.8	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.			trans	-135.7	143	-173.6	0	0	0	0	0	110.7	Q123 D130 I131 A141 S142 L143	Q123-A125 PolarHBondContact O-N 3.46Å; A125-D130 HydrophobicContact CB-CB 3.55Å; A125-I131 HydrophobicContact CB-CG1 4.49Å; A125-A141 HydrophobicContact CB-CB 3.89Å; A125-S142 PolarHBondContact N-O 3.06Å; A125-L143 HydrophobicContact CB-CD1 4.36Å; A125-L143 HydrophobicContact CB-CD2 4.43Å; A125-L143 HydrophobicContact CB-CG 4.04Å; A125-L143 WeakPolarHBondContact O-CG 3.49Å
126	T	98.8	Very high	98.6	Very high	34 Å²	34	48.8 Å²	48.8	21%	0.209	25%	0.246	C	C	.	.			trans	-137.3	15.7	-178.3	73.5	0	0	0	0	113	F124 D130 R168	F124-T126 HydrophobicContact CD1-CG2 4.02Å; F124-T126 HydrophobicContact CE1-CG2 3.22Å; F124-T126 HydrophobicContact CZ-CG2 3.62Å; T126-D130 WeakPolarHBondContact CA-OD2 3.17Å; T126-D130 PolarHBondContact N-OD2 3.49Å; T126-D130 PolarHBondContact OG1-OD2 3Å; T126-R168 VanDerWaalsContact CB-NH2 3.25Å; T126-R168 WeakPolarHBondContact O-CD 3.47Å; T126-R168 PolarHBondContact O-NE 2.91Å; T126-R168 PolarHBondContact O-NH2 3.35Å; T126-R168 PolarHBondContact OG1-NH2 2.77Å
127	S	98.9	Very high	98.5	Very high	21 Å²	21	47.4 Å²	47.4	15%	0.147	24%	0.237	C	C	.	.	S	Bend	trans	-155.2	163.7	177.5	62	0	0	0	0	110.8	K129 D130 I131 E360	S127-K129 PolarHBondContact O-N 2.82Å; S127-D130 PolarHBondContact N-OD2 2.93Å; S127-D130 VanDerWaalsContact N-OD2 3.11Å; S127-D130 PolarHBondContact O-N 2.84Å; S127-D130 VanDerWaalsContact O-N 3.17Å; S127-D130 PolarHBondContact OG-N 3.28Å; S127-D130 PolarHBondContact OG-OD1 3.19Å; S127-D130 PolarHBondContact OG-OD2 3.44Å; S127-I131 PolarHBondContact O-N 3.11Å; S127-I131 VanDerWaalsContact O-N 3.14Å; S127-E360 WeakPolarHBondContact CA-OE1 3.4Å; S127-E360 VanDerWaalsContact CB-OE1 3.24Å; S127-E360 WeakPolarHBondContact CB-OE1 3.43Å
128	S	98.8	Very high	98.5	Very high	8 Å²	8	52.1 Å²	52.1	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-55.2	-38.7	170.2	65.2	0	0	0	0	111.3	I131 E132 R357 E360	S128-I131 WeakPolarHBondContact O-CB 3.34Å; S128-I131 PolarHBondContact O-N 2.92Å; S128-E132 WeakPolarHBondContact O-CG 3.37Å; S128-E132 PolarHBondContact O-N 2.91Å; S128-R357 WeakPolarHBondContact OG-CG 3.4Å; S128-E360 WeakPolarHBondContact CB-OE2 3.32Å; S128-E360 PolarHBondContact N-OE1 2.99Å; S128-E360 PolarHBondContact OG-OE2 3.49Å
129	K	98.7	Very high	98.4	Very high	119 Å²	119	54.1 Å²	54.1	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.7	180	171.9	170.6	52.4	0	112.6	S127 I131 E132 D133	S127-K129 PolarHBondContact O-N 2.82Å; K129-I131 VanDerWaalsContact C-N 3.26Å; K129-I131 PolarHBondContact O-N 3.2Å; K129-E132 PolarHBondContact O-N 3.34Å; K129-D133 IonicContact NZ-OD2 3.27Å; K129-D133 PolarHBondContact O-N 3Å
130	D	98.8	Very high	98.5	Very high	44 Å²	44	51.2 Å²	51.2	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-35.4	178.6	-64	-30.6	0	0	0	111.6	A125 T126 S127 D133 A134	A125-D130 HydrophobicContact CB-CB 3.55Å; T126-D130 WeakPolarHBondContact CA-OD2 3.17Å; T126-D130 PolarHBondContact N-OD2 3.49Å; T126-D130 PolarHBondContact OG1-OD2 3Å; S127-D130 PolarHBondContact N-OD2 2.93Å; S127-D130 VanDerWaalsContact N-OD2 3.11Å; S127-D130 PolarHBondContact O-N 2.84Å; S127-D130 VanDerWaalsContact O-N 3.17Å; S127-D130 PolarHBondContact OG-N 3.28Å; S127-D130 PolarHBondContact OG-OD1 3.19Å; S127-D130 PolarHBondContact OG-OD2 3.44Å; D130-D133 PolarHBondContact O-N 3.49Å; D130-A134 PolarHBondContact O-N 3.09Å
131	I	98.8	Very high	98.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-50.1	173.5	-68.8	166.1	0	0	0	110.3	I41 A84 A125 S127 S128 K129 D133 A134 F135 A141 L143 L353 M356	I41-I131 HydrophobicContact CD1-CG2 4Å; A84-I131 HydrophobicContact CB-CG1 4.49Å; A84-I131 HydrophobicContact CB-CG2 4.04Å; A125-I131 HydrophobicContact CB-CG1 4.49Å; S127-I131 PolarHBondContact O-N 3.11Å; S127-I131 VanDerWaalsContact O-N 3.14Å; S128-I131 WeakPolarHBondContact O-CB 3.34Å; S128-I131 PolarHBondContact O-N 2.92Å; K129-I131 VanDerWaalsContact C-N 3.26Å; K129-I131 PolarHBondContact O-N 3.2Å; I131-D133 VanDerWaalsContact C-N 3.29Å; I131-D133 PolarHBondContact O-N 3.13Å; I131-A134 WeakPolarHBondContact O-CB 3.45Å; I131-A134 PolarHBondContact O-N 3.02Å; I131-F135 HydrophobicContact CG2-CD1 4.14Å; I131-F135 HydrophobicContact CG2-CE1 3.5Å; I131-F135 HydrophobicContact CG2-CE2 3.98Å; I131-F135 HydrophobicContact CG2-CZ 3.45Å; I131-F135 VanDerWaalsContact CG2-CZ 3.45Å; I131-F135 VanDerWaalsContact O-CD1 3.28Å; I131-F135 WeakPolarHBondContact O-CD1 3.34Å; I131-F135 WeakPolarHBondContact O-CG 3.34Å; I131-F135 PolarHBondContact O-N 2.98Å; I131-A141 HydrophobicContact CB-CB 4.24Å; I131-A141 HydrophobicContact CG1-CB 3.96Å; I131-A141 HydrophobicContact CG2-CB 4.33Å; I131-L143 HydrophobicContact CD1-CD1 3.92Å; I131-L143 HydrophobicContact CD1-CD2 3.85Å; I131-L143 HydrophobicContact CG1-CD1 3.81Å; I131-L143 HydrophobicContact CG1-CD2 4.1Å; I131-L143 HydrophobicContact CG1-CG 4.48Å; I131-L353 HydrophobicContact CB-CD2 4.1Å; I131-L353 HydrophobicContact CD1-CD2 4.12Å; I131-L353 HydrophobicContact CG2-CD2 3.94Å; I131-M356 HydrophobicContact CD1-CE 3.92Å; I131-M356 HydrophobicContact CD1-SD 3.45Å; I131-M356 WeakPolarHBondContact CD1-SD 3.49Å
132	E	98.5	Very high	98.5	Very high	55 Å²	55	44.2 Å²	44.2	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-35.7	178.3	-63.6	174	174.3	0	0	112.6	S128 K129 F135 R136 R357	S128-E132 WeakPolarHBondContact O-CG 3.37Å; S128-E132 PolarHBondContact O-N 2.91Å; K129-E132 PolarHBondContact O-N 3.34Å; E132-F135 PolarHBondContact O-N 3.44Å; E132-R136 WeakPolarHBondContact O-CG 3.39Å; E132-R136 PolarHBondContact O-N 2.95Å; E132-R136 IonicContact OE2-NH1 3.83Å; E132-R357 IonicContact OE1-CZ 3.11Å; E132-R357 IonicContact OE1-NE 3.56Å; E132-R357 IonicContact OE1-NH2 3.77Å; E132-R357 PolarHBondContact OE1-NH2 3.14Å
133	D	98.5	Very high	98.5	Very high	47 Å²	47	44 Å²	44	25%	0.251	21%	0.208	S	C	.	.	H	α-helix	trans	-64.6	-39.2	174.5	-79.6	-40.5	0	0	0	111.6	K129 D130 I131 R136 S137	K129-D133 IonicContact NZ-OD2 3.27Å; K129-D133 PolarHBondContact O-N 3Å; D130-D133 PolarHBondContact O-N 3.49Å; I131-D133 VanDerWaalsContact C-N 3.29Å; I131-D133 PolarHBondContact O-N 3.13Å; D133-R136 VanDerWaalsContact CG-NH2 3.25Å; D133-R136 IonicContact OD1-CZ 2.77Å; D133-R136 VanDerWaalsContact OD1-CZ 3.31Å; D133-R136 IonicContact OD1-NE 3.22Å; D133-R136 PolarHBondContact OD1-NE 3.22Å; D133-R136 IonicContact OD1-NH2 2.66Å; D133-R136 PolarHBondContact OD1-NH2 3.23Å; D133-R136 IonicContact OD2-NH2 3.17Å; D133-S137 WeakPolarHBondContact O-CB 3.12Å; D133-S137 PolarHBondContact O-N 3.45Å; D133-S137 PolarHBondContact O-OG 3.46Å
134	A	98.6	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-42	173.6	0	0	0	0	0	111.8	Q123 D130 I131 R136 S137 K138 K139 A141	Q123-A134 HydrophobicContact CB-CB 4.04Å; Q123-A134 HydrophobicContact CG-CB 4.26Å; D130-A134 PolarHBondContact O-N 3.09Å; I131-A134 WeakPolarHBondContact O-CB 3.45Å; I131-A134 PolarHBondContact O-N 3.02Å; A134-R136 PolarHBondContact O-N 3.32Å; A134-S137 CarbonylContact O-C 3.46Å; A134-S137 WeakPolarHBondContact O-CA 3.49Å; A134-S137 PolarHBondContact O-N 3.1Å; A134-K138 PolarHBondContact O-N 3.31Å; A134-K139 CarbonylContact C-O 3.6Å; A134-K139 PolarHBondContact O-N 2.9Å; A134-A141 HydrophobicContact CB-CB 3.54Å
135	F	97.9	Very high	98.5	Very high	39 Å²	39	38.8 Å²	38.8	17%	0.171	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-48.1	175.3	-69.6	3.3	0	0	0	111.4	P39 I41 G83 A84 I131 E132 S137 K138	P39-F135 HydrophobicContact CB-CD1 4.08Å; P39-F135 HydrophobicContact CB-CD2 4.17Å; P39-F135 HydrophobicContact CB-CE1 3.9Å; P39-F135 HydrophobicContact CB-CE2 3.96Å; P39-F135 HydrophobicContact CB-CG 4.22Å; P39-F135 HydrophobicContact CB-CZ 3.81Å; P39-F135 HydrophobicContact CG-CB 4.35Å; P39-F135 HydrophobicContact CG-CD1 4.18Å; P39-F135 HydrophobicContact CG-CD2 3.78Å; P39-F135 HydrophobicContact CG-CE1 4.43Å; P39-F135 HydrophobicContact CG-CE2 4.02Å; P39-F135 HydrophobicContact CG-CG 3.85Å; P39-F135 HydrophobicContact CG-CZ 4.34Å; I41-F135 HydrophobicContact CD1-CZ 4.03Å; I41-F135 HydrophobicContact CG1-CZ 3.83Å; G83-F135 VanDerWaalsContact O-CE1 3.25Å; G83-F135 WeakPolarHBondContact O-CE1 3.49Å; A84-F135 HydrophobicContact CB-CE1 3.92Å; A84-F135 HydrophobicContact CB-CZ 4.39Å; I131-F135 HydrophobicContact CG2-CD1 4.14Å; I131-F135 HydrophobicContact CG2-CE1 3.5Å; I131-F135 HydrophobicContact CG2-CE2 3.98Å; I131-F135 HydrophobicContact CG2-CZ 3.45Å; I131-F135 VanDerWaalsContact CG2-CZ 3.45Å; I131-F135 VanDerWaalsContact O-CD1 3.28Å; I131-F135 WeakPolarHBondContact O-CD1 3.34Å; I131-F135 WeakPolarHBondContact O-CG 3.34Å; I131-F135 PolarHBondContact O-N 2.98Å; E132-F135 PolarHBondContact O-N 3.44Å; F135-S137 PolarHBondContact O-N 3.19Å; F135-K138 PolarHBondContact O-N 3.42Å
136	R	97.4	Very high	98.5	Very high	143 Å²	143	38.8 Å²	38.8	54%	0.54	19%	0.185	S	C	.	.	H	α-helix	trans	-57.1	-35.9	174.6	-76.8	-175	-78.2	-84.7	4.4	112.1	E132 D133 A134 K138	E132-R136 WeakPolarHBondContact O-CG 3.39Å; E132-R136 PolarHBondContact O-N 2.95Å; E132-R136 IonicContact OE2-NH1 3.83Å; D133-R136 VanDerWaalsContact CG-NH2 3.25Å; D133-R136 IonicContact OD1-CZ 2.77Å; D133-R136 VanDerWaalsContact OD1-CZ 3.31Å; D133-R136 IonicContact OD1-NE 3.22Å; D133-R136 PolarHBondContact OD1-NE 3.22Å; D133-R136 IonicContact OD1-NH2 2.66Å; D133-R136 PolarHBondContact OD1-NH2 3.23Å; D133-R136 IonicContact OD2-NH2 3.17Å; A134-R136 PolarHBondContact O-N 3.32Å; R136-K138 VanDerWaalsContact C-N 3.28Å; R136-K138 PolarHBondContact O-N 3.38Å
137	S	97.3	Very high	98.5	Very high	65 Å²	65	37.4 Å²	37.4	46%	0.455	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.6	178.9	-55	0	0	0	0	113.7	D133 A134 F135 K139	D133-S137 WeakPolarHBondContact O-CB 3.12Å; D133-S137 PolarHBondContact O-N 3.45Å; D133-S137 PolarHBondContact O-OG 3.46Å; A134-S137 CarbonylContact O-C 3.46Å; A134-S137 WeakPolarHBondContact O-CA 3.49Å; A134-S137 PolarHBondContact O-N 3.1Å; F135-S137 PolarHBondContact O-N 3.19Å; S137-K139 PolarHBondContact O-N 2.98Å
138	K	97	Very high	98.5	Very high	176 Å²	176	36.4 Å²	36.4	77%	0.765	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	31.4	-175.8	-55.1	-178	-179.7	-179.4	0	113.4	R78 A134 F135 R136	R78-K138 PolarHBondContact NH1-O 2.62Å; A134-K138 PolarHBondContact O-N 3.31Å; F135-K138 PolarHBondContact O-N 3.42Å; R136-K138 VanDerWaalsContact C-N 3.28Å; R136-K138 PolarHBondContact O-N 3.38Å
139	K	98.5	Very high	98.5	Very high	62 Å²	62	36 Å²	36	27%	0.27	17%	0.167	S	C	.	.			trans	-106.5	157.4	174.8	-65.9	-174.4	-176.9	-168.8	0	109.9	P119 T121 Q123 A134 S137	P119-K139 WeakPolarHBondContact O-CD 3.39Å; P119-K139 WeakPolarHBondContact O-CE 3.32Å; P119-K139 PolarHBondContact O-NZ 3.42Å; T121-K139 WeakPolarHBondContact O-CA 3.25Å; Q123-K139 HydrophobicContact CB-CB 3.96Å; Q123-K139 HydrophobicContact CB-CD 3.96Å; A134-K139 CarbonylContact C-O 3.6Å; A134-K139 PolarHBondContact O-N 2.9Å; S137-K139 PolarHBondContact O-N 2.98Å
140	V	98.8	Very high	98.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116.2	171.7	178.2	0	0	0	0	107.4	I77 I82 G83 Q85 T121 F122 Q123 S142	I77-V140 HydrophobicContact CG2-CG2 3.52Å; I82-V140 WeakPolarHBondContact O-CG2 3.44Å; G83-V140 CarbonylContact O-C 3.57Å; G83-V140 VanDerWaalsContact O-CA 3.23Å; G83-V140 WeakPolarHBondContact O-CA 3.46Å; Q85-V140 HydrophobicContact CB-CG1 4.41Å; T121-V140 HydrophobicContact CG2-CG2 4.27Å; T121-V140 PolarHBondContact O-N 3.27Å; F122-V140 WeakPolarHBondContact CA-O 3.49Å; F122-V140 HydrophobicContact CD1-CB 3.94Å; F122-V140 HydrophobicContact CD1-CG1 4.17Å; F122-V140 HydrophobicContact CE1-CB 4.35Å; F122-V140 HydrophobicContact CE1-CG1 4.39Å; Q123-V140 PolarHBondContact N-O 3.16Å; V140-S142 PolarHBondContact O-N 2.94Å
141	A	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.2	171.8	0	0	0	0	0	109	G83 A84 Q85 Q123 A125 I131 A134 L143	G83-A141 PolarHBondContact O-N 3.41Å; A84-A141 CarbonylContact C-O 3.48Å; A84-A141 WeakPolarHBondContact CA-O 3.46Å; A84-A141 HydrophobicContact CB-CB 3.58Å; Q85-A141 PolarHBondContact N-O 3.39Å; Q123-A141 CarbonylContact O-C 3.51Å; Q123-A141 WeakPolarHBondContact O-CA 3.38Å; A125-A141 HydrophobicContact CB-CB 3.89Å; I131-A141 HydrophobicContact CB-CB 4.24Å; I131-A141 HydrophobicContact CG1-CB 3.96Å; I131-A141 HydrophobicContact CG2-CB 4.33Å; A134-A141 HydrophobicContact CB-CB 3.54Å; A141-L143 HydrophobicContact CB-CD1 4.24Å
142	S	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.1	-178.4	-71.8	0	0	0	0	109.4	W87 C115 Q123 F124 A125 V140	W87-S142 VanDerWaalsContact NE1-CB 3.26Å; W87-S142 PolarHBondContact NE1-OG 3.39Å; C115-S142 WeakPolarHBondContact SG-CB 3.44Å; Q123-S142 PolarHBondContact O-N 2.97Å; F124-S142 WeakPolarHBondContact CD2-O 3.46Å; A125-S142 PolarHBondContact N-O 3.06Å; V140-S142 PolarHBondContact O-N 2.94Å
143	L	98.9	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	165.4	177.4	-57.8	98.5	0	0	0	110	A84 Q85 F86 W87 A125 I131 A141 M356	A84-L143 HydrophobicContact CB-CD1 4.26Å; Q85-L143 PolarHBondContact O-N 2.96Å; F86-L143 HydrophobicContact CD1-CB 3.62Å; F86-L143 HydrophobicContact CD2-CB 4.32Å; F86-L143 HydrophobicContact CD2-CD1 4.37Å; F86-L143 HydrophobicContact CE1-CB 3.66Å; F86-L143 HydrophobicContact CE1-CD2 4.05Å; F86-L143 HydrophobicContact CE1-CG 4.38Å; F86-L143 HydrophobicContact CE2-CB 4.32Å; F86-L143 HydrophobicContact CE2-CD1 4.19Å; F86-L143 HydrophobicContact CE2-CD2 4.17Å; F86-L143 HydrophobicContact CE2-CG 4.45Å; F86-L143 HydrophobicContact CG-CB 3.99Å; F86-L143 HydrophobicContact CZ-CB 4.02Å; F86-L143 HydrophobicContact CZ-CD2 3.71Å; F86-L143 HydrophobicContact CZ-CG 4.28Å; W87-L143 PolarHBondContact N-O 3.37Å; A125-L143 HydrophobicContact CB-CD1 4.36Å; A125-L143 HydrophobicContact CB-CD2 4.43Å; A125-L143 HydrophobicContact CB-CG 4.04Å; A125-L143 WeakPolarHBondContact O-CG 3.49Å; I131-L143 HydrophobicContact CD1-CD1 3.92Å; I131-L143 HydrophobicContact CD1-CD2 3.85Å; I131-L143 HydrophobicContact CG1-CD1 3.81Å; I131-L143 HydrophobicContact CG1-CD2 4.1Å; I131-L143 HydrophobicContact CG1-CG 4.48Å; A141-L143 HydrophobicContact CB-CD1 4.24Å; L143-M356 HydrophobicContact CD2-CE 3.81Å
144	I	99	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.7	178.2	-58.6	170.6	0	0	0	109.9	A89 I108 I111 F124 V167 R168	A89-I144 HydrophobicContact CB-CG2 3.86Å; I108-I144 HydrophobicContact CG1-CG2 4.21Å; I108-I144 HydrophobicContact CG2-CD1 4.01Å; I111-I144 HydrophobicContact CB-CD1 4.29Å; I111-I144 HydrophobicContact CB-CG1 4.22Å; I111-I144 HydrophobicContact CD1-CG1 4Å; I111-I144 HydrophobicContact CD1-CG2 4.05Å; I111-I144 HydrophobicContact CG2-CD1 4.17Å; I111-I144 HydrophobicContact CG2-CG1 3.75Å; F124-I144 HydrophobicContact CE2-CD1 3.68Å; F124-I144 HydrophobicContact CE2-CG1 3.92Å; F124-I144 HydrophobicContact CZ-CD1 4.06Å; I144-V167 HydrophobicContact CB-CG2 4.43Å; I144-V167 HydrophobicContact CG2-CG2 3.86Å; I144-R168 PolarHBondContact O-N 2.88Å
145	G	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.4	165.4	0	0	0	0	0	110.7	W87 A89 Y169	W87-G145 PolarHBondContact O-N 2.98Å; W87-G145 VanDerWaalsContact O-N 3.07Å; A89-G145 PolarHBondContact N-O 3.46Å; G145-Y169 VanDerWaalsContact CA-CZ 3.4Å
146	V	98.9	Very high	98.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.5	173.9	167.8	0	0	0	0	108.8	A89 T104 I108 S151 M162 V167 Y169 M170 T171	A89-V146 HydrophobicContact CB-CG2 4.15Å; T104-V146 HydrophobicContact CG2-CG1 4.02Å; T104-V146 HydrophobicContact CG2-CG2 3.89Å; I108-V146 HydrophobicContact CD1-CG2 4.39Å; V146-S151 VanDerWaalsContact CG1-CB 3.43Å; V146-S151 WeakPolarHBondContact CG1-OG 3.46Å; V146-M162 HydrophobicContact CG2-SD 4.28Å; V146-V167 HydrophobicContact CB-CG1 4.08Å; V146-V167 HydrophobicContact CG2-CB 4.27Å; V146-V167 HydrophobicContact CG2-CG1 3.62Å; V146-V167 HydrophobicContact CG2-CG2 3.58Å; V146-Y169 PolarHBondContact N-O 3.42Å; V146-M170 HydrophobicContact CB-CG 4.33Å; V146-M170 HydrophobicContact CG1-CG 4.21Å; V146-M170 CarbonylContact O-C 3.54Å; V146-M170 VanDerWaalsContact O-CA 3.28Å; V146-M170 WeakPolarHBondContact O-CA 3.21Å; V146-T171 PolarHBondContact O-N 2.99Å
147	E	98.9	Very high	98.6	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.023	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100	-177.6	-162.2	-161	178.5	0	0	111.1	H44 Y90 T171 H174 H220 H241	H44-E147 IonicContact CE1-OE2 2.9Å; H44-E147 IonicContact NE2-OE2 3.96Å; Y90-E147 WeakPolarHBondContact CB-OE2 3.32Å; Y90-E147 HydrophobicContact CD2-CB 4.33Å; Y90-E147 WeakPolarHBondContact CD2-OE2 3.3Å; E147-T171 HydrophobicContact CG-CG2 4.4Å; E147-H174 IonicContact OE1-CD2 2.79Å; E147-H174 PolarHBondContact OE1-CD2 2.95Å; E147-H174 VanDerWaalsContact OE1-CD2 3.27Å; E147-H220 IonicContact OE1-CD2 3.78Å; E147-H220 IonicContact OE1-NE2 3.87Å; E147-H220 PolarHBondContact OE1-NE2 3.22Å; E147-H241 IonicContact OE1-CE1 3.23Å; E147-H241 IonicContact OE1-NE2 2.77Å
148	G	98.8	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.			trans	108.8	123.5	174.4	0	0	0	0	0	113.5	H150 S151 T171	G148-H150 PolarHBondContact O-N 3.42Å; G148-H150 VanDerWaalsContact O-N 3.15Å; G148-S151 WeakPolarHBondContact O-CB 3.48Å; G148-S151 PolarHBondContact O-N 3.48Å; G148-S151 PolarHBondContact O-OG 3.17Å; G148-T171 CarbonylContact C-O 3.5Å; G148-T171 VanDerWaalsContact C-O 3.31Å; G148-T171 WeakPolarHBondContact CA-O 3.25Å; G148-T171 PolarHBondContact N-O 3.4Å; G148-T171 VanDerWaalsContact N-O 3.09Å
149	G	98.8	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-65	-14	-178.6	0	0	0	0	0	115	S151 I152 T171 L172	G149-S151 PolarHBondContact O-N 2.7Å; G149-S151 VanDerWaalsContact O-N 3.16Å; G149-I152 WeakPolarHBondContact O-CG1 3.46Å; G149-I152 PolarHBondContact O-N 2.74Å; G149-I152 VanDerWaalsContact O-N 3.12Å; G149-T171 PolarHBondContact N-O 2.92Å; G149-T171 VanDerWaalsContact N-O 3.12Å; G149-L172 VanDerWaalsContact CA-O 3.28Å; G149-L172 WeakPolarHBondContact CA-O 3.44Å; G149-L172 PolarHBondContact N-O 2.96Å; G149-L172 VanDerWaalsContact N-O 3.08Å
150	H	98.8	Very high	98.8	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.009	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-60.7	-21.8	169.7	58.6	-73.9	0	0	0	112.3	V91 Q96 G148 I152 D153 T178	V91-H150 WeakPolarHBondContact CG2-NE2 3.26Å; V91-H150 PolarHBondContact O-NE2 2.78Å; Q96-H150 HydrophobicContact CB-CB 3.71Å; Q96-H150 VanDerWaalsContact CD-CB 3.48Å; Q96-H150 HydrophobicContact CG-CB 3.61Å; G148-H150 PolarHBondContact O-N 3.42Å; G148-H150 VanDerWaalsContact O-N 3.15Å; H150-I152 PolarHBondContact O-N 2.84Å; H150-D153 PolarHBondContact O-N 2.87Å; H150-D153 VanDerWaalsContact O-N 3.13Å; H150-T178 HydrophobicContact CB-CG2 4.45Å
151	S	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-59.3	-28.5	173.8	-66.4	0	0	0	0	113.8	V101 T104 V146 G148 G149 M162	V101-S151 WeakPolarHBondContact CG2-O 3.39Å; T104-S151 WeakPolarHBondContact OG1-CB 3.43Å; T104-S151 PolarHBondContact OG1-OG 3.39Å; V146-S151 VanDerWaalsContact CG1-CB 3.43Å; V146-S151 WeakPolarHBondContact CG1-OG 3.46Å; G148-S151 WeakPolarHBondContact O-CB 3.48Å; G148-S151 PolarHBondContact O-N 3.48Å; G148-S151 PolarHBondContact O-OG 3.17Å; G149-S151 PolarHBondContact O-N 2.7Å; G149-S151 VanDerWaalsContact O-N 3.16Å; S151-M162 WeakPolarHBondContact O-CE 3.48Å
152	I	98.8	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-90	-5	179	65.5	156.7	0	0	0	113.4	G149 H150 S154 S155 T158 L159 M162 M170 W180 V205	G149-I152 WeakPolarHBondContact O-CG1 3.46Å; G149-I152 PolarHBondContact O-N 2.74Å; G149-I152 VanDerWaalsContact O-N 3.12Å; H150-I152 PolarHBondContact O-N 2.84Å; I152-S154 PolarHBondContact O-N 2.76Å; I152-S154 VanDerWaalsContact O-N 3.13Å; I152-S155 WeakPolarHBondContact O-CB 3.35Å; I152-S155 PolarHBondContact O-N 2.9Å; I152-T158 HydrophobicContact CB-CG2 4.32Å; I152-T158 WeakPolarHBondContact O-CB 3.37Å; I152-L159 HydrophobicContact CD1-CB 4.43Å; I152-L159 HydrophobicContact CG2-CB 4.05Å; I152-L159 HydrophobicContact CG2-CD1 4.18Å; I152-M162 HydrophobicContact CG2-SD 3.94Å; I152-M170 HydrophobicContact CG2-SD 3.66Å; I152-W180 HydrophobicContact CD1-CZ2 3.88Å; I152-W180 HydrophobicContact CG1-CZ2 4.07Å; I152-V205 HydrophobicContact CD1-CG1 4.46Å; I152-V205 HydrophobicContact CD1-CG2 4.3Å
153	D	98.6	Very high	98.8	Very high	45 Å²	45	15.2 Å²	15.2	24%	0.241	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	44.6	-174.3	-167	35.3	0	0	0	112.8	V101 H150 S155	V101-D153 HydrophobicContact CG2-CB 3.62Å; H150-D153 PolarHBondContact O-N 2.87Å; H150-D153 VanDerWaalsContact O-N 3.13Å; D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 3.31Å
154	S	98.4	Very high	98.7	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.049	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	35.3	-178.7	-45.4	0	0	0	0	114.5	I152 P179 W180 F201	I152-S154 PolarHBondContact O-N 2.76Å; I152-S154 VanDerWaalsContact O-N 3.13Å; S154-P179 WeakPolarHBondContact OG-CG 3.32Å; S154-W180 VanDerWaalsContact OG-CD1 3.32Å; S154-W180 PolarHBondContact OG-NE1 3.08Å; S154-F201 WeakPolarHBondContact O-CZ 3.49Å
155	S	98.4	Very high	98.7	Very high	45 Å²	45	25.6 Å²	25.6	32%	0.315	14%	0.14	S	C	.	.			trans	-120.7	119	179.7	172.1	0	0	0	0	111.9	I152 D153 G157 T158 L159	I152-S155 WeakPolarHBondContact O-CB 3.35Å; I152-S155 PolarHBondContact O-N 2.9Å; D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 3.31Å; S155-G157 PolarHBondContact O-N 2.98Å; S155-G157 PolarHBondContact OG-N 3.33Å; S155-T158 WeakPolarHBondContact CB-OG1 3.45Å; S155-T158 PolarHBondContact O-N 3.44Å; S155-T158 PolarHBondContact OG-N 3.29Å; S155-T158 VanDerWaalsContact OG-N 3.16Å; S155-T158 PolarHBondContact OG-OG1 3.47Å; S155-L159 PolarHBondContact O-N 2.85Å; S155-L159 VanDerWaalsContact O-N 3.09Å
156	L	98.6	Very high	98.7	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-29.4	171.2	-61.6	177.2	0	0	0	111.7	L159 R160 F201 V205 E208 D372	L156-L159 HydrophobicContact CD2-CD2 4.33Å; L156-L159 WeakPolarHBondContact O-CB 3.15Å; L156-L159 PolarHBondContact O-N 3.5Å; L156-R160 WeakPolarHBondContact O-CG 3.27Å; L156-R160 PolarHBondContact O-N 3.44Å; L156-F201 HydrophobicContact CD1-CE2 4.35Å; L156-F201 HydrophobicContact CD2-CZ 4.24Å; L156-F201 HydrophobicContact CG-CE2 4.1Å; L156-F201 HydrophobicContact CG-CZ 4.02Å; L156-V205 HydrophobicContact CD2-CG2 3.99Å; L156-E208 HydrophobicContact CD2-CB 4.07Å; L156-E208 HydrophobicContact CD2-CG 4.29Å; L156-D372 VanDerWaalsContact CD1-O 3.28Å; L156-D372 WeakPolarHBondContact CD1-O 3.34Å
157	G	98.4	Very high	98.7	Very high	27 Å²	27	25.7 Å²	25.7	28%	0.278	14%	0.142	S	C	.	.	H	α-helix	trans	-62.9	-45.2	172.9	0	0	0	0	0	112.1	S155 R160 V161	S155-G157 PolarHBondContact O-N 2.98Å; S155-G157 PolarHBondContact OG-N 3.33Å; G157-R160 PolarHBondContact O-N 3.34Å; G157-V161 WeakPolarHBondContact O-CG2 3.34Å; G157-V161 PolarHBondContact O-N 2.88Å
158	T	98.6	Very high	98.7	Very high	30 Å²	30	26.8 Å²	26.8	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-42.6	176.7	-54.7	0	0	0	0	111.2	V101 I152 S155 R160 V161 M162	V101-T158 HydrophobicContact CG1-CG2 3.9Å; V101-T158 HydrophobicContact CG2-CG2 4.39Å; I152-T158 HydrophobicContact CB-CG2 4.32Å; I152-T158 WeakPolarHBondContact O-CB 3.37Å; S155-T158 WeakPolarHBondContact CB-OG1 3.45Å; S155-T158 PolarHBondContact O-N 3.44Å; S155-T158 PolarHBondContact OG-N 3.29Å; S155-T158 VanDerWaalsContact OG-N 3.16Å; S155-T158 PolarHBondContact OG-OG1 3.47Å; T158-R160 PolarHBondContact O-N 3.45Å; T158-V161 PolarHBondContact O-N 2.92Å; T158-M162 HydrophobicContact CG2-CE 3.83Å; T158-M162 HydrophobicContact CG2-SD 4.29Å; T158-M162 WeakPolarHBondContact O-CG 3.4Å; T158-M162 PolarHBondContact O-N 2.78Å
159	L	98.8	Very high	98.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-54.7	-48.6	174.4	178.5	67.4	0	0	0	112	I152 S155 L156 M162 Y163 M170 V205 E208 M209 L212 M214	I152-L159 HydrophobicContact CD1-CB 4.43Å; I152-L159 HydrophobicContact CG2-CB 4.05Å; I152-L159 HydrophobicContact CG2-CD1 4.18Å; S155-L159 PolarHBondContact O-N 2.85Å; S155-L159 VanDerWaalsContact O-N 3.09Å; L156-L159 HydrophobicContact CD2-CD2 4.33Å; L156-L159 WeakPolarHBondContact O-CB 3.15Å; L156-L159 PolarHBondContact O-N 3.5Å; L159-M162 PolarHBondContact O-N 3.42Å; L159-Y163 PolarHBondContact O-N 3.08Å; L159-M170 HydrophobicContact CD1-CE 3.85Å; L159-M170 HydrophobicContact CD1-SD 3.95Å; L159-V205 HydrophobicContact CD2-CG1 4.37Å; L159-E208 HydrophobicContact CD2-CB 4.12Å; L159-E208 HydrophobicContact CD2-CG 3.82Å; L159-M209 HydrophobicContact CD1-CG 4.27Å; L159-M209 HydrophobicContact CD2-CG 4Å; L159-L212 HydrophobicContact CD2-CD1 4.43Å; L159-L212 HydrophobicContact CG-CD1 4.19Å; L159-M214 HydrophobicContact CD1-CE 3.83Å; L159-M214 HydrophobicContact CD1-SD 3.69Å
160	R	98.6	Very high	98.7	Very high	46 Å²	46	26.9 Å²	26.9	17%	0.174	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-42.7	177	-73.3	-172.9	-74.8	-97.1	9.1	112.8	L156 G157 T158 M162 Y163 H164 E208 L212 D373	L156-R160 WeakPolarHBondContact O-CG 3.27Å; L156-R160 PolarHBondContact O-N 3.44Å; G157-R160 PolarHBondContact O-N 3.34Å; T158-R160 PolarHBondContact O-N 3.45Å; R160-M162 VanDerWaalsContact C-N 3.32Å; R160-M162 PolarHBondContact O-N 2.9Å; R160-Y163 WeakPolarHBondContact O-CB 3.42Å; R160-Y163 PolarHBondContact O-N 3.5Å; R160-H164 PolarHBondContact O-CD2 2.84Å; R160-H164 PolarHBondContact O-N 2.94Å; R160-E208 WeakPolarHBondContact CD-OE1 3.46Å; R160-E208 WeakPolarHBondContact CG-OE1 3.39Å; R160-E208 IonicContact CZ-OE1 2.74Å; R160-E208 IonicContact NE-OE1 3.08Å; R160-E208 IonicContact NH1-OE1 3.63Å; R160-E208 PolarHBondContact NH1-OE1 3.03Å; R160-L212 HydrophobicContact CG-CD1 4.11Å; R160-L212 HydrophobicContact CG-CD2 4.2Å; R160-D373 IonicContact CZ-OD1 3.63Å; R160-D373 VanDerWaalsContact CZ-OD1 3.23Å; R160-D373 IonicContact NH1-OD1 3.52Å; R160-D373 PolarHBondContact NH1-OD1 3.17Å; R160-D373 IonicContact NH2-OD1 3.27Å; R160-D373 PolarHBondContact NH2-OD1 3.27Å
161	V	98.8	Very high	98.8	Very high	75 Å²	75	26.8 Å²	26.8	46%	0.455	15%	0.145	S	C	.	.	H	α-helix	trans	-60	-45.2	176.4	168.5	0	0	0	0	110.5	G157 T158 Y163 H164 L165	G157-V161 WeakPolarHBondContact O-CG2 3.34Å; G157-V161 PolarHBondContact O-N 2.88Å; T158-V161 PolarHBondContact O-N 2.92Å; V161-Y163 VanDerWaalsContact C-N 3.33Å; V161-Y163 PolarHBondContact O-N 2.98Å; V161-H164 WeakPolarHBondContact O-CB 3.29Å; V161-H164 PolarHBondContact O-N 3.21Å; V161-H164 VanDerWaalsContact O-N 3.14Å; V161-L165 HydrophobicContact CG1-CD1 4.03Å; V161-L165 HydrophobicContact CG1-CG 4.45Å; V161-L165 WeakPolarHBondContact O-CG 3.28Å; V161-L165 PolarHBondContact O-N 2.74Å
162	M	98.9	Very high	98.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-42.3	175.4	-73.9	-178.9	174.9	0	0	112	T104 I108 V146 S151 I152 T158 L159 R160 H164 L165 G166 V167	T104-M162 HydrophobicContact CG2-CE 3.51Å; T104-M162 HydrophobicContact CG2-SD 4.2Å; I108-M162 HydrophobicContact CD1-CG 4.13Å; V146-M162 HydrophobicContact CG2-SD 4.28Å; S151-M162 WeakPolarHBondContact O-CE 3.48Å; I152-M162 HydrophobicContact CG2-SD 3.94Å; T158-M162 HydrophobicContact CG2-CE 3.83Å; T158-M162 HydrophobicContact CG2-SD 4.29Å; T158-M162 WeakPolarHBondContact O-CG 3.4Å; T158-M162 PolarHBondContact O-N 2.78Å; L159-M162 PolarHBondContact O-N 3.42Å; R160-M162 VanDerWaalsContact C-N 3.32Å; R160-M162 PolarHBondContact O-N 2.9Å; M162-H164 VanDerWaalsContact C-N 3.34Å; M162-H164 PolarHBondContact O-N 3.12Å; M162-L165 CarbonylContact O-C 3.47Å; M162-L165 PolarHBondContact O-N 3.17Å; M162-L165 VanDerWaalsContact O-N 3.15Å; M162-G166 PolarHBondContact O-N 2.87Å; M162-V167 HydrophobicContact CB-CB 4.29Å; M162-V167 HydrophobicContact CB-CG2 3.94Å; M162-V167 VanDerWaalsContact O-CB 3.3Å; M162-V167 WeakPolarHBondContact O-CB 3.29Å; M162-V167 VanDerWaalsContact O-CG2 3.25Å; M162-V167 WeakPolarHBondContact O-CG2 3.28Å; M162-V167 PolarHBondContact O-N 2.89Å; M162-V167 VanDerWaalsContact O-N 3.08Å
163	Y	98.9	Very high	98.8	Very high	24 Å²	24	26.8 Å²	26.8	9%	0.094	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-43.5	173.2	-174.8	-92	0	0	0	112.6	L159 R160 V161 L165 G166 R168 L212 M214	L159-Y163 PolarHBondContact O-N 3.08Å; R160-Y163 WeakPolarHBondContact O-CB 3.42Å; R160-Y163 PolarHBondContact O-N 3.5Å; V161-Y163 VanDerWaalsContact C-N 3.33Å; V161-Y163 PolarHBondContact O-N 2.98Å; Y163-L165 VanDerWaalsContact C-N 3.28Å; Y163-L165 PolarHBondContact O-N 3.02Å; Y163-G166 WeakPolarHBondContact O-CA 3.4Å; Y163-G166 PolarHBondContact O-N 3.44Å; Y163-R168 PolarHBondContact O-NH1 2.94Å; Y163-L212 HydrophobicContact CD1-CD2 4.02Å; Y163-L212 HydrophobicContact CD2-CB 4Å; Y163-L212 HydrophobicContact CE2-CB 4.11Å; Y163-L212 VanDerWaalsContact CE2-O 3.28Å; Y163-L212 WeakPolarHBondContact CE2-O 3.37Å; Y163-L212 HydrophobicContact CG-CB 4.27Å; Y163-L212 HydrophobicContact CG-CD1 4.33Å; Y163-L212 HydrophobicContact CG-CD2 4.12Å; Y163-L212 HydrophobicContact CG-CG 4.49Å; Y163-L212 PolarHBondContact OH-O 3.26Å; Y163-M214 HydrophobicContact CD2-CB 4.12Å; Y163-M214 HydrophobicContact CD2-CE 3.76Å; Y163-M214 HydrophobicContact CE2-CB 4.37Å; Y163-M214 HydrophobicContact CG-CE 4.22Å
164	H	98.8	Very high	98.8	Very high	149 Å²	149	25.9 Å²	25.9	69%	0.69	14%	0.14	S	C	*	.	H	α-helix	trans	-65.2	-31	176	-71.4	-55.1	0	0	0	113	R160 V161 M162 G166	R160-H164 PolarHBondContact O-CD2 2.84Å; R160-H164 PolarHBondContact O-N 2.94Å; V161-H164 WeakPolarHBondContact O-CB 3.29Å; V161-H164 PolarHBondContact O-N 3.21Å; V161-H164 VanDerWaalsContact O-N 3.14Å; M162-H164 VanDerWaalsContact C-N 3.34Å; M162-H164 PolarHBondContact O-N 3.12Å; H164-G166 PolarHBondContact O-N 3.23Å
165	L	98.9	Very high	98.8	Very high	68 Å²	68	26.6 Å²	26.6	36%	0.356	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.4	171.7	-64.2	171.5	0	0	0	113.1	L105 I108 H112 V161 M162 Y163	L105-L165 HydrophobicContact CD2-CD1 3.34Å; I108-L165 HydrophobicContact CG2-CB 3.99Å; H112-L165 PolarHBondContact CE1-O 2.93Å; H112-L165 PolarHBondContact NE2-O 3.37Å; V161-L165 HydrophobicContact CG1-CD1 4.03Å; V161-L165 HydrophobicContact CG1-CG 4.45Å; V161-L165 WeakPolarHBondContact O-CG 3.28Å; V161-L165 PolarHBondContact O-N 2.74Å; M162-L165 CarbonylContact O-C 3.47Å; M162-L165 PolarHBondContact O-N 3.17Å; M162-L165 VanDerWaalsContact O-N 3.15Å; Y163-L165 VanDerWaalsContact C-N 3.28Å; Y163-L165 PolarHBondContact O-N 3.02Å
166	G	98.9	Very high	98.8	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	10.2	171	0	0	0	0	0	115.5	M162 Y163 H164 R168	M162-G166 PolarHBondContact O-N 2.87Å; Y163-G166 WeakPolarHBondContact O-CA 3.4Å; Y163-G166 PolarHBondContact O-N 3.44Å; H164-G166 PolarHBondContact O-N 3.23Å; G166-R168 PolarHBondContact O-N 3.38Å
167	V	98.9	Very high	98.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.4	171.6	178	0	0	0	0	110.2	I108 I144 V146 M162 Y169 M214	I108-V167 HydrophobicContact CD1-CG2 3.73Å; I108-V167 HydrophobicContact CG1-CG2 4.14Å; I144-V167 HydrophobicContact CB-CG2 4.43Å; I144-V167 HydrophobicContact CG2-CG2 3.86Å; V146-V167 HydrophobicContact CB-CG1 4.08Å; V146-V167 HydrophobicContact CG2-CB 4.27Å; V146-V167 HydrophobicContact CG2-CG1 3.62Å; V146-V167 HydrophobicContact CG2-CG2 3.58Å; M162-V167 HydrophobicContact CB-CB 4.29Å; M162-V167 HydrophobicContact CB-CG2 3.94Å; M162-V167 VanDerWaalsContact O-CB 3.3Å; M162-V167 WeakPolarHBondContact O-CB 3.29Å; M162-V167 VanDerWaalsContact O-CG2 3.25Å; M162-V167 WeakPolarHBondContact O-CG2 3.28Å; M162-V167 PolarHBondContact O-N 2.89Å; M162-V167 VanDerWaalsContact O-N 3.08Å; V167-Y169 WeakPolarHBondContact CG1-O 3.46Å; V167-M214 HydrophobicContact CB-CE 4.47Å; V167-M214 HydrophobicContact CG1-CE 4.17Å; V167-M214 HydrophobicContact CG1-SD 4.49Å
168	R	98.9	Very high	98.8	Very high	27 Å²	27	24.1 Å²	24.1	10%	0.102	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-14.2	-176.9	-71.3	-60.8	176.1	-87.9	1	115.9	F86 T126 I144 Y163 G166 L215	F86-R168 HydrophobicContact CE1-CB 4.03Å; T126-R168 VanDerWaalsContact CB-NH2 3.25Å; T126-R168 WeakPolarHBondContact O-CD 3.47Å; T126-R168 PolarHBondContact O-NE 2.91Å; T126-R168 PolarHBondContact O-NH2 3.35Å; T126-R168 PolarHBondContact OG1-NH2 2.77Å; I144-R168 PolarHBondContact O-N 2.88Å; Y163-R168 PolarHBondContact O-NH1 2.94Å; G166-R168 PolarHBondContact O-N 3.38Å; R168-L215 WeakPolarHBondContact O-CB 3.37Å; R168-L215 PolarHBondContact O-N 3.2Å
169	Y	98.9	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.8	156.9	73.1	-117.3	0	0	0	111.4	G43 H44 F86 G145 V146 V167 L215 D217 I238	G43-Y169 VanDerWaalsContact O-CE1 3.25Å; G43-Y169 WeakPolarHBondContact O-CE1 3.35Å; G43-Y169 PolarHBondContact O-OH 3.31Å; H44-Y169 PolarHBondContact ND1-OH 2.73Å; F86-Y169 HydrophobicContact CB-CD1 4.4Å; F86-Y169 HydrophobicContact CB-CE1 3.57Å; F86-Y169 AromaticContact CD1-CD1 3.27Å; F86-Y169 HydrophobicContact CD1-CD1 3.27Å; F86-Y169 AromaticContact CD1-CE1 3.32Å; F86-Y169 HydrophobicContact CD1-CE1 3.32Å; F86-Y169 HydrophobicContact CD1-CG 4.44Å; F86-Y169 AromaticContact CE1-CD1 3.57Å; F86-Y169 HydrophobicContact CE1-CD1 3.57Å; F86-Y169 HydrophobicContact CE1-CE1 4.1Å; F86-Y169 AromaticContact CG-CD1 3.92Å; F86-Y169 HydrophobicContact CG-CD1 3.92Å; F86-Y169 AromaticContact CG-CE1 3.57Å; F86-Y169 HydrophobicContact CG-CE1 3.57Å; F86-Y169 HydrophobicContact CZ-CD1 4.43Å; G145-Y169 VanDerWaalsContact CA-CZ 3.4Å; V146-Y169 PolarHBondContact N-O 3.42Å; V167-Y169 WeakPolarHBondContact CG1-O 3.46Å; Y169-L215 VanDerWaalsContact CA-O 3.24Å; Y169-L215 WeakPolarHBondContact CA-O 3.31Å; Y169-L215 WeakPolarHBondContact CB-O 3.46Å; Y169-D217 HydrophobicContact CD2-CB 4.02Å; Y169-D217 HydrophobicContact CG-CB 4.45Å; Y169-I238 HydrophobicContact CD1-CD1 3.89Å; Y169-I238 HydrophobicContact CE1-CD1 4.47Å; Y169-I238 HydrophobicContact CG-CD1 4.07Å
170	M	98.9	Very high	98.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.3	162.8	-176.2	179.8	68	0	0	110	V146 I152 L159 L172 W180 V205 M209 M214 L215 D217	V146-M170 HydrophobicContact CB-CG 4.33Å; V146-M170 HydrophobicContact CG1-CG 4.21Å; V146-M170 CarbonylContact O-C 3.54Å; V146-M170 VanDerWaalsContact O-CA 3.28Å; V146-M170 WeakPolarHBondContact O-CA 3.21Å; I152-M170 HydrophobicContact CG2-SD 3.66Å; L159-M170 HydrophobicContact CD1-CE 3.85Å; L159-M170 HydrophobicContact CD1-SD 3.95Å; M170-L172 HydrophobicContact CE-CD2 4.47Å; M170-W180 HydrophobicContact CE-CH2 4.11Å; M170-V205 HydrophobicContact CE-CG1 3.89Å; M170-M209 HydrophobicContact CB-CE 3.79Å; M170-M209 HydrophobicContact CE-CE 4.26Å; M170-M209 HydrophobicContact CE-SD 3.68Å; M170-M214 HydrophobicContact CB-SD 3.83Å; M170-L215 PolarHBondContact N-O 2.91Å; M170-D217 PolarHBondContact O-N 2.95Å; M170-D217 VanDerWaalsContact O-N 3.09Å
171	T	98.9	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.6	167.9	-40.7	0	0	0	0	108.2	V146 E147 G148 G149 T173 D217 A219 H220	V146-T171 PolarHBondContact O-N 2.99Å; E147-T171 HydrophobicContact CG-CG2 4.4Å; G148-T171 CarbonylContact C-O 3.5Å; G148-T171 VanDerWaalsContact C-O 3.31Å; G148-T171 WeakPolarHBondContact CA-O 3.25Å; G148-T171 PolarHBondContact N-O 3.4Å; G148-T171 VanDerWaalsContact N-O 3.09Å; G149-T171 PolarHBondContact N-O 2.92Å; G149-T171 VanDerWaalsContact N-O 3.12Å; T171-T173 VanDerWaalsContact C-N 3.27Å; T171-T173 VanDerWaalsContact CG2-O 3.23Å; T171-T173 WeakPolarHBondContact CG2-O 3.14Å; T171-T173 PolarHBondContact O-N 2.83Å; T171-D217 WeakPolarHBondContact CA-O 3.33Å; T171-D217 WeakPolarHBondContact CB-OD2 3.2Å; T171-D217 WeakPolarHBondContact CG2-OD2 3.35Å; T171-D217 PolarHBondContact OG1-OD2 3.43Å; T171-A219 HydrophobicContact CG2-CB 3.93Å; T171-A219 WeakPolarHBondContact CG2-O 3.07Å; T171-H220 HydrophobicContact CG2-CB 4.38Å
172	L	98.9	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-62.4	-35.1	-167.6	-62	176.5	0	0	0	112.9	G149 M170 W180 M181 I206 M209 I216 D217 L218 V221 V225 V229	G149-L172 VanDerWaalsContact CA-O 3.28Å; G149-L172 WeakPolarHBondContact CA-O 3.44Å; G149-L172 PolarHBondContact N-O 2.96Å; G149-L172 VanDerWaalsContact N-O 3.08Å; M170-L172 HydrophobicContact CE-CD2 4.47Å; L172-W180 HydrophobicContact CD2-CZ3 4.39Å; L172-M181 HydrophobicContact CB-CE 4.48Å; L172-M181 HydrophobicContact CB-CG 4.24Å; L172-M181 HydrophobicContact CD1-CE 4.03Å; L172-I206 HydrophobicContact CD1-CD1 3.85Å; L172-I206 HydrophobicContact CD2-CD1 3.68Å; L172-I206 HydrophobicContact CG-CD1 4.43Å; L172-M209 HydrophobicContact CD2-CE 4.48Å; L172-M209 HydrophobicContact CD2-SD 3.93Å; L172-I216 HydrophobicContact CD1-CG2 3.9Å; L172-I216 HydrophobicContact CD2-CG2 4.03Å; L172-I216 HydrophobicContact CG-CG2 4.07Å; L172-D217 PolarHBondContact N-O 3.14Å; L172-D217 VanDerWaalsContact N-O 3.16Å; L172-L218 HydrophobicContact CD1-CD2 3.79Å; L172-V221 HydrophobicContact CB-CG1 3.85Å; L172-V221 HydrophobicContact CD1-CG1 4.39Å; L172-V225 HydrophobicContact CD1-CG1 4.19Å; L172-V229 HydrophobicContact CD1-CG2 3.79Å
173	T	98.9	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.			trans	-135.7	161.7	170.6	60	0	0	0	0	109.3	T171 T178 M181 D182 N183 H220	T171-T173 VanDerWaalsContact C-N 3.27Å; T171-T173 VanDerWaalsContact CG2-O 3.23Å; T171-T173 WeakPolarHBondContact CG2-O 3.14Å; T171-T173 PolarHBondContact O-N 2.83Å; T173-T178 HydrophobicContact CG2-CG2 4.37Å; T173-M181 HydrophobicContact CG2-CB 3.76Å; T173-M181 HydrophobicContact CG2-CG 3.58Å; T173-D182 WeakPolarHBondContact CG2-O 3.1Å; T173-N183 HydrophobicContact CG2-CB 4.27Å; T173-H220 WeakPolarHBondContact O-CB 3.23Å; T173-H220 PolarHBondContact OG1-O 3.43Å
174	H	98.8	Very high	98.7	Very high	27 Å²	27	17 Å²	17	13%	0.125	8%	0.084	C	C	.	.	S	Bend	trans	-99	-144.3	155.7	177.8	-114.8	0	0	0	107	Y90 C93 E147 C176 N183 H220	Y90-H174 AromaticContact CE2-CE1 3.73Å; Y90-H174 AromaticContact CE2-CG 3.93Å; Y90-H174 AromaticContact CE2-ND1 3.7Å; C93-H174 PolarHBondContact SG-ND1 2.96Å; E147-H174 IonicContact OE1-CD2 2.79Å; E147-H174 PolarHBondContact OE1-CD2 2.95Å; E147-H174 VanDerWaalsContact OE1-CD2 3.27Å; H174-C176 PolarHBondContact O-N 3.28Å; H174-N183 WeakPolarHBondContact O-CB 3.33Å; H174-H220 AromaticContact CD2-CE1 3.32Å; H174-H220 PolarHBondContact CD2-CE1 3.34Å; H174-H220 AromaticContact CD2-ND1 3.5Å; H174-H220 PolarHBondContact CD2-ND1 3.24Å; H174-H220 AromaticContact CD2-NE2 3.82Å; H174-H220 AromaticContact NE2-CE1 3.44Å; H174-H220 PolarHBondContact NE2-CE1 3.04Å; H174-H220 AromaticContact NE2-ND1 3.9Å
175	S	98.6	Very high	98.7	Very high	21 Å²	21	14.7 Å²	14.7	15%	0.147	7%	0.07	C	C	.	.	S	Bend	trans	-80.9	43.4	175.6	-61.5	0	0	0	0	113.5	C93 W184 H220	C93-S175 VanDerWaalsContact SG-C 3.58Å; S175-W184 PolarHBondContact OG-NE1 3.26Å; S175-H220 PolarHBondContact OG-ND1 2.97Å
176	C	98.6	Very high	98.7	Very high	18 Å²	18	12.8 Å²	12.8	12%	0.122	6%	0.061	C	C	.	.	S	Bend	trans	-159.4	145.7	176.9	49.1	0	0	0	0	110.3	C93 H174 N183	C93-C176 HydrophobicContact CB-CB 3.64Å; C93-C176 WeakPolarHBondContact CB-SG 3.49Å; C93-C176 WeakPolarHBondContact SG-CB 3.47Å; C93-C176 PolarHBondContact SG-N 2.81Å; C93-C176 CovalentContact SG-SG 2.04Å; C93-C176 PolarHBondContact SG-SG 2.93Å; H174-C176 PolarHBondContact O-N 3.28Å; C176-N183 WeakPolarHBondContact O-CB 3.24Å
177	N	98.5	Very high	98.6	Very high	13 Å²	13	15.1 Å²	15.1	7%	0.07	7%	0.073	C	C	.	.			trans	-64.2	153	172.3	-64.9	-16.2	0	0	0	110.6	Q96 M181 D182 N183 P192 E194	Q96-N177 PolarHBondContact NE2-O 3.45Å; Q96-N177 PolarHBondContact OE1-O 2.76Å; N177-M181 WeakPolarHBondContact CA-O 3.06Å; N177-D182 WeakPolarHBondContact OD1-CA 3.22Å; N177-N183 PolarHBondContact N-ND2 3.08Å; N177-N183 VanDerWaalsContact N-ND2 3.2Å; N177-N183 PolarHBondContact OD1-N 2.87Å; N177-N183 PolarHBondContact OD1-ND2 3.21Å; N177-P192 PolarHBondContact ND2-O 2.85Å; N177-E194 PolarHBondContact ND2-OE1 2.84Å
178	T	98.6	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-107.8	168.5	163.1	67.3	0	0	0	0	109.2	H150 T173 W180 M181 H195	H150-T178 HydrophobicContact CB-CG2 4.45Å; T173-T178 HydrophobicContact CG2-CG2 4.37Å; T178-W180 HydrophobicContact CG2-CZ2 4.37Å; T178-W180 PolarHBondContact O-N 2.85Å; T178-W180 PolarHBondContact OG1-N 3.41Å; T178-M181 PolarHBondContact N-O 2.91Å; T178-M181 PolarHBondContact O-N 2.7Å; T178-M181 WeakPolarHBondContact OG1-CB 3.37Å; T178-M181 PolarHBondContact OG1-N 2.92Å; T178-M181 VanDerWaalsContact OG1-N 3.1Å; T178-M181 PolarHBondContact OG1-O 2.9Å; T178-H195 PolarHBondContact O-NE2 3.04Å
179	P	98.3	Very high	98.5	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.026	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-2.3	173.4	-27.9	36.6	0	0	0	116	Y97 S154 H195 I376 V381	Y97-P179 HydrophobicContact CE1-CG 3.75Å; Y97-P179 VanDerWaalsContact OH-CD 3.32Å; Y97-P179 WeakPolarHBondContact OH-CD 3.47Å; Y97-P179 VanDerWaalsContact OH-CG 3.23Å; Y97-P179 WeakPolarHBondContact OH-CG 3.25Å; S154-P179 WeakPolarHBondContact OG-CG 3.32Å; P179-H195 VanDerWaalsContact C-NE2 3.32Å; P179-H195 PolarHBondContact O-CE1 3.1Å; P179-I376 HydrophobicContact CB-CD1 3.83Å; P179-V381 HydrophobicContact CB-CG2 3.77Å; P179-V381 HydrophobicContact CG-CB 4.4Å; P179-V381 HydrophobicContact CG-CG1 4.2Å; P179-V381 HydrophobicContact CG-CG2 3.92Å
180	W	98.3	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.6	1.4	-174.2	49.7	-90.7	0	0	0	114.4	I152 S154 M170 L172 T178 H195 S199 F201 V205 I376	I152-W180 HydrophobicContact CD1-CZ2 3.88Å; I152-W180 HydrophobicContact CG1-CZ2 4.07Å; S154-W180 VanDerWaalsContact OG-CD1 3.32Å; S154-W180 PolarHBondContact OG-NE1 3.08Å; M170-W180 HydrophobicContact CE-CH2 4.11Å; L172-W180 HydrophobicContact CD2-CZ3 4.39Å; T178-W180 HydrophobicContact CG2-CZ2 4.37Å; T178-W180 PolarHBondContact O-N 2.85Å; T178-W180 PolarHBondContact OG1-N 3.41Å; W180-H195 PolarHBondContact N-NE2 3.26Å; W180-S199 VanDerWaalsContact CA-OG 3.24Å; W180-S199 WeakPolarHBondContact CA-OG 3.4Å; W180-S199 VanDerWaalsContact CB-OG 3.23Å; W180-S199 WeakPolarHBondContact CB-OG 3.32Å; W180-S199 PolarHBondContact O-N 3.27Å; W180-S199 PolarHBondContact O-OG 3.18Å; W180-F201 HydrophobicContact CB-CB 4.34Å; W180-F201 HydrophobicContact CB-CD1 3.78Å; W180-F201 AromaticContact CD1-CD1 3.84Å; W180-F201 HydrophobicContact CD2-CD1 4.5Å; W180-F201 AromaticContact CG-CD1 3.76Å; W180-F201 HydrophobicContact CG-CD1 3.76Å; W180-F201 HydrophobicContact CG-CE1 4.26Å; W180-V205 HydrophobicContact CD2-CG2 4.22Å; W180-V205 HydrophobicContact CE3-CB 4.34Å; W180-V205 HydrophobicContact CE3-CG2 4.16Å; W180-V205 HydrophobicContact CH2-CG1 3.9Å; W180-V205 HydrophobicContact CZ3-CB 4.19Å; W180-V205 HydrophobicContact CZ3-CG1 3.89Å; W180-V205 HydrophobicContact CZ3-CG2 4.33Å; W180-I376 HydrophobicContact CB-CD1 4.38Å
181	M	97.8	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-156.6	131.7	-175.2	-163.7	69.4	66.3	0	0	112.3	L172 T173 N177 T178 H195 L198 V225	L172-M181 HydrophobicContact CB-CE 4.48Å; L172-M181 HydrophobicContact CB-CG 4.24Å; L172-M181 HydrophobicContact CD1-CE 4.03Å; T173-M181 HydrophobicContact CG2-CB 3.76Å; T173-M181 HydrophobicContact CG2-CG 3.58Å; N177-M181 WeakPolarHBondContact CA-O 3.06Å; T178-M181 PolarHBondContact N-O 2.91Å; T178-M181 PolarHBondContact O-N 2.7Å; T178-M181 WeakPolarHBondContact OG1-CB 3.37Å; T178-M181 PolarHBondContact OG1-N 2.92Å; T178-M181 VanDerWaalsContact OG1-N 3.1Å; T178-M181 PolarHBondContact OG1-O 2.9Å; M181-H195 PolarHBondContact N-CD2 3.06Å; M181-L198 HydrophobicContact CE-CB 3.54Å; M181-L198 HydrophobicContact CE-CD1 4.46Å; M181-L198 HydrophobicContact SD-CB 3.49Å; M181-L198 WeakPolarHBondContact SD-CB 3.48Å; M181-V225 HydrophobicContact CE-CG1 4.44Å; M181-V225 HydrophobicContact CG-CG1 4.26Å; M181-V225 HydrophobicContact CG-CG2 4.24Å; M181-V225 HydrophobicContact SD-CB 4.09Å; M181-V225 HydrophobicContact SD-CG1 3.34Å; M181-V225 WeakPolarHBondContact SD-CG1 3.47Å; M181-V225 HydrophobicContact SD-CG2 3.52Å; M181-V225 VanDerWaalsContact SD-CG2 3.52Å
182	D	98.7	Very high	98.3	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	19%	0.185	C	C	.	.			trans	-77.2	153.6	171.9	-70.4	-16.6	0	0	0	111.9	T173 N177 V186 S193 E194 H195 N196 G197 P222 V225	T173-D182 WeakPolarHBondContact CG2-O 3.1Å; N177-D182 WeakPolarHBondContact OD1-CA 3.22Å; D182-V186 HydrophobicContact CB-CG2 4.03Å; D182-S193 WeakPolarHBondContact OD2-CA 3.31Å; D182-S193 WeakPolarHBondContact OD2-CB 3.43Å; D182-S193 PolarHBondContact OD2-OG 2.62Å; D182-E194 PolarHBondContact OD1-N 3.5Å; D182-H195 IonicContact OD1-CD2 3.51Å; D182-H195 PolarHBondContact OD1-CD2 3.14Å; D182-H195 PolarHBondContact OD1-N 3.32Å; D182-H195 VanDerWaalsContact OD1-N 3.07Å; D182-N196 PolarHBondContact OD2-N 3.41Å; D182-G197 PolarHBondContact N-O 3.03Å; D182-G197 PolarHBondContact OD2-N 3.38Å; D182-P222 HydrophobicContact CB-CG 3.92Å; D182-P222 WeakPolarHBondContact O-CD 3.36Å; D182-V225 HydrophobicContact CB-CG2 4.48Å
183	N	98.8	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.205	C	C	.	.			trans	-110.9	167.4	178.4	89.1	94.7	0	0	0	114.1	T173 H174 C176 N177 R185 V186 D191 P222	T173-N183 HydrophobicContact CG2-CB 4.27Å; H174-N183 WeakPolarHBondContact O-CB 3.33Å; C176-N183 WeakPolarHBondContact O-CB 3.24Å; N177-N183 PolarHBondContact N-ND2 3.08Å; N177-N183 VanDerWaalsContact N-ND2 3.2Å; N177-N183 PolarHBondContact OD1-N 2.87Å; N177-N183 PolarHBondContact OD1-ND2 3.21Å; N183-R185 PolarHBondContact O-N 2.89Å; N183-R185 VanDerWaalsContact OD1-CB 3.24Å; N183-R185 WeakPolarHBondContact OD1-CB 3.33Å; N183-R185 WeakPolarHBondContact OD1-CG 3.35Å; N183-R185 PolarHBondContact OD1-N 2.87Å; N183-V186 VanDerWaalsContact O-CB 3.24Å; N183-V186 WeakPolarHBondContact O-CB 3.24Å; N183-V186 VanDerWaalsContact O-CG2 3.28Å; N183-V186 WeakPolarHBondContact O-CG2 3.23Å; N183-V186 PolarHBondContact O-N 2.76Å; N183-D191 PolarHBondContact ND2-OD2 2.76Å; N183-P222 VanDerWaalsContact C-CD 3.41Å
184	W	98.7	Very high	98.1	Very high	21 Å²	21	37.8 Å²	37.8	8%	0.08	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.3	-25.8	-173.9	75.2	-82.3	0	0	0	114.6	S175 V186 D187 T188 H220 H250 K251 R252	S175-W184 PolarHBondContact OG-NE1 3.26Å; W184-V186 PolarHBondContact O-N 2.53Å; W184-D187 PolarHBondContact O-N 2.89Å; W184-T188 HydrophobicContact CE3-CG2 4.04Å; W184-T188 HydrophobicContact CZ3-CG2 3.68Å; W184-H220 VanDerWaalsContact CB-O 3.31Å; W184-H220 WeakPolarHBondContact CB-O 3.37Å; W184-H220 AromaticContact CD1-ND1 3.79Å; W184-H220 PolarHBondContact N-O 3.01Å; W184-H220 AromaticContact NE1-ND1 3.75Å; W184-H250 AromaticContact CH2-CE1 3.45Å; W184-H250 VanDerWaalsContact CH2-CE1 3.45Å; W184-H250 WeakPolarHBondContact CH2-CE1 3.41Å; W184-H250 AromaticContact CH2-NE2 3.82Å; W184-H250 AromaticContact CZ3-CE1 3.43Å; W184-H250 VanDerWaalsContact CZ3-CE1 3.43Å; W184-H250 WeakPolarHBondContact CZ3-CE1 3.48Å; W184-H250 AromaticContact CZ3-NE2 3.95Å; W184-K251 HydrophobicContact CE3-CB 3.57Å; W184-K251 HydrophobicContact CZ3-CB 3.91Å; W184-R252 VanDerWaalsContact CD1-CD 3.5Å; W184-R252 HydrophobicContact CD2-CG 3.65Å; W184-R252 HydrophobicContact CE3-CG 3.88Å; W184-R252 VanDerWaalsContact CG-CD 3.46Å; W184-R252 HydrophobicContact CG-CG 4.11Å; W184-R252 HydrophobicContact CH2-CG 4.19Å; W184-R252 HydrophobicContact CZ2-CG 3.99Å; W184-R252 HydrophobicContact CZ3-CG 4.14Å
185	R	98.6	Very high	97.8	Very high	102 Å²	102	38.5 Å²	38.5	39%	0.385	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-65.9	-13.9	175.3	-68.3	-178.1	173.8	-138.2	2.1	113.3	N183 D187 T188 G189 A190 D191	N183-R185 PolarHBondContact O-N 2.89Å; N183-R185 VanDerWaalsContact OD1-CB 3.24Å; N183-R185 WeakPolarHBondContact OD1-CB 3.33Å; N183-R185 WeakPolarHBondContact OD1-CG 3.35Å; N183-R185 PolarHBondContact OD1-N 2.87Å; R185-D187 VanDerWaalsContact C-N 3.33Å; R185-T188 PolarHBondContact O-N 2.9Å; R185-T188 PolarHBondContact O-OG1 2.86Å; R185-G189 PolarHBondContact O-N 2.82Å; R185-A190 HydrophobicContact CB-CB 4.2Å; R185-A190 PolarHBondContact O-N 2.75Å; R185-D191 HydrophobicContact CB-CB 3.98Å; R185-D191 VanDerWaalsContact CB-OD2 3.25Å; R185-D191 WeakPolarHBondContact CB-OD2 3.35Å; R185-D191 WeakPolarHBondContact CD-OD2 3.37Å; R185-D191 PolarHBondContact O-N 3.48Å
186	V	98.5	Very high	97.7	Very high	28 Å²	28	42.1 Å²	42.1	17%	0.17	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.8	-40.4	168.9	174.2	0	0	0	0	110.9	D182 N183 W184 T188 G189 D191 P192 P222	D182-V186 HydrophobicContact CB-CG2 4.03Å; N183-V186 VanDerWaalsContact O-CB 3.24Å; N183-V186 WeakPolarHBondContact O-CB 3.24Å; N183-V186 VanDerWaalsContact O-CG2 3.28Å; N183-V186 WeakPolarHBondContact O-CG2 3.23Å; N183-V186 PolarHBondContact O-N 2.76Å; W184-V186 PolarHBondContact O-N 2.53Å; V186-T188 PolarHBondContact O-N 2.95Å; V186-G189 PolarHBondContact O-N 2.97Å; V186-D191 WeakPolarHBondContact CA-O 3.36Å; V186-D191 HydrophobicContact CG2-CB 4.25Å; V186-P192 WeakPolarHBondContact CG2-O 3.38Å; V186-P222 HydrophobicContact CB-CB 4.4Å
187	D	98.4	Very high	97.6	Very high	52 Å²	52	41.3 Å²	41.3	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.9	179.8	-68.9	-23.8	0	0	0	113.2	W184 R185 P222 V223 K251	W184-D187 PolarHBondContact O-N 2.89Å; R185-D187 VanDerWaalsContact C-N 3.33Å; D187-P222 VanDerWaalsContact OD2-CA 3.23Å; D187-P222 WeakPolarHBondContact OD2-CA 3.44Å; D187-P222 WeakPolarHBondContact OD2-CB 3.48Å; D187-V223 WeakPolarHBondContact OD2-CG2 3.07Å; D187-V223 PolarHBondContact OD2-N 3.25Å; D187-K251 HydrophobicContact CB-CB 4.29Å; D187-K251 HydrophobicContact CB-CD 3.76Å; D187-K251 HydrophobicContact CB-CG 3.98Å; D187-K251 VanDerWaalsContact O-CE 3.31Å; D187-K251 WeakPolarHBondContact O-CE 3.41Å
188	T	97.9	Very high	97.5	Very high	71 Å²	71	41.3 Å²	41.3	44%	0.436	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.6	170.6	67.6	0	0	0	0	112.6	W184 R185 V186 A190 K251	W184-T188 HydrophobicContact CE3-CG2 4.04Å; W184-T188 HydrophobicContact CZ3-CG2 3.68Å; R185-T188 PolarHBondContact O-N 2.9Å; R185-T188 PolarHBondContact O-OG1 2.86Å; V186-T188 PolarHBondContact O-N 2.95Å; T188-A190 VanDerWaalsContact C-N 3.25Å; T188-A190 VanDerWaalsContact OG1-CB 3.3Å; T188-A190 WeakPolarHBondContact OG1-CB 3.4Å; T188-A190 PolarHBondContact OG1-N 3.42Å; T188-K251 HydrophobicContact CG2-CB 3.75Å; T188-K251 HydrophobicContact CG2-CG 3.52Å
189	G	97.9	Very high	97.5	Very high	67 Å²	67	42.3 Å²	42.3	69%	0.691	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	10.5	-170.7	0	0	0	0	0	114.3	R185 V186	R185-G189 PolarHBondContact O-N 2.82Å; V186-G189 PolarHBondContact O-N 2.97Å
190	A	97.6	Very high	97.4	Very high	66 Å²	66	45.5 Å²	45.5	55%	0.545	28%	0.279	S	S	.	.	S	Bend	trans	-79.2	-31.4	178.9	0	0	0	0	0	112.5	R185 T188	R185-A190 HydrophobicContact CB-CB 4.2Å; R185-A190 PolarHBondContact O-N 2.75Å; T188-A190 VanDerWaalsContact C-N 3.25Å; T188-A190 VanDerWaalsContact OG1-CB 3.3Å; T188-A190 WeakPolarHBondContact OG1-CB 3.4Å; T188-A190 PolarHBondContact OG1-N 3.42Å
191	D	97.6	Very high	97.4	Very high	45 Å²	45	45.9 Å²	45.9	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	-118.2	149.8	173.9	-68.9	-19.1	0	0	0	110.4	N183 R185 V186	N183-D191 PolarHBondContact ND2-OD2 2.76Å; R185-D191 HydrophobicContact CB-CB 3.98Å; R185-D191 VanDerWaalsContact CB-OD2 3.25Å; R185-D191 WeakPolarHBondContact CB-OD2 3.35Å; R185-D191 WeakPolarHBondContact CD-OD2 3.37Å; R185-D191 PolarHBondContact O-N 3.48Å; V186-D191 WeakPolarHBondContact CA-O 3.36Å; V186-D191 HydrophobicContact CG2-CB 4.25Å
192	P	97.1	Very high	97.5	Very high	85 Å²	85	45.9 Å²	45.9	55%	0.552	28%	0.281	S	S	*	.			trans	-72.2	149.8	175	31.1	-34.6	0	0	0	111.3	N177 V186 E194	N177-P192 PolarHBondContact ND2-O 2.85Å; V186-P192 WeakPolarHBondContact CG2-O 3.38Å; P192-E194 HydrophobicContact CG-CG 4.39Å; P192-E194 PolarHBondContact O-N 3.27Å
193	S	96.6	Very high	97.4	Very high	62 Å²	62	50.9 Å²	50.9	43%	0.434	30%	0.304	S	S	.	.			trans	-76.8	113.6	163.1	-175.9	0	0	0	0	108.6	D182 N196	D182-S193 WeakPolarHBondContact OD2-CA 3.31Å; D182-S193 WeakPolarHBondContact OD2-CB 3.43Å; D182-S193 PolarHBondContact OD2-OG 2.62Å; S193-N196 VanDerWaalsContact OG-CA 3.3Å; S193-N196 WeakPolarHBondContact OG-CA 3.46Å; S193-N196 PolarHBondContact OG-N 3.21Å
194	E	95.7	Very high	97.4	Very high	109 Å²	109	53.9 Å²	53.9	51%	0.509	32%	0.317	S	S	.	.	S	Bend	trans	-93.5	-35.5	-178.8	-71.4	175.8	-144.2	0	0	111.3	N177 D182 P192	N177-E194 PolarHBondContact ND2-OE1 2.84Å; D182-E194 PolarHBondContact OD1-N 3.5Å; P192-E194 HydrophobicContact CG-CG 4.39Å; P192-E194 PolarHBondContact O-N 3.27Å
195	H	93.8	Very high	97.4	Very high	43 Å²	43	52.9 Å²	52.9	20%	0.199	31%	0.313	C	S	.	.	S	Bend	trans	-112.8	-1	-171.9	-55.7	-66.6	0	0	0	113.2	T178 P179 W180 M181 D182 G197	T178-H195 PolarHBondContact O-NE2 3.04Å; P179-H195 VanDerWaalsContact C-NE2 3.32Å; P179-H195 PolarHBondContact O-CE1 3.1Å; W180-H195 PolarHBondContact N-NE2 3.26Å; M181-H195 PolarHBondContact N-CD2 3.06Å; D182-H195 IonicContact OD1-CD2 3.51Å; D182-H195 PolarHBondContact OD1-CD2 3.14Å; D182-H195 PolarHBondContact OD1-N 3.32Å; D182-H195 VanDerWaalsContact OD1-N 3.07Å; H195-G197 PolarHBondContact O-N 3.46Å
196	N	95.9	Very high	97.4	Very high	97 Å²	97	48.1 Å²	48.1	52%	0.519	30%	0.295	S	S	.	.	S	Bend	trans	54.9	44.2	-168.6	-166.6	44	0	0	0	110.3	D182 S193 K224 Q228	D182-N196 PolarHBondContact OD2-N 3.41Å; S193-N196 VanDerWaalsContact OG-CA 3.3Å; S193-N196 WeakPolarHBondContact OG-CA 3.46Å; S193-N196 PolarHBondContact OG-N 3.21Å; N196-K224 PolarHBondContact ND2-NZ 3.37Å; N196-K224 VanDerWaalsContact ND2-NZ 3.18Å; N196-K224 WeakPolarHBondContact O-CD 3.5Å; N196-K224 WeakPolarHBondContact O-CE 3.2Å; N196-K224 WeakPolarHBondContact OD1-CE 3.39Å; N196-K224 PolarHBondContact OD1-NZ 3.07Å; N196-Q228 PolarHBondContact O-NE2 3.29Å
197	G	96.8	Very high	97.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	105.6	-101.6	-170.5	0	0	0	0	0	112.8	D182 H195 V225 Q228	D182-G197 PolarHBondContact N-O 3.03Å; D182-G197 PolarHBondContact OD2-N 3.38Å; H195-G197 PolarHBondContact O-N 3.46Å; G197-V225 WeakPolarHBondContact O-CG2 3.23Å; G197-Q228 VanDerWaalsContact CA-OE1 3.3Å
198	L	96.1	Very high	97.4	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.068	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-116.6	146.2	176.5	72.1	158	0	0	0	112.3	M181 E203 I206 Q228 I232	M181-L198 HydrophobicContact CE-CB 3.54Å; M181-L198 HydrophobicContact CE-CD1 4.46Å; M181-L198 HydrophobicContact SD-CB 3.49Å; M181-L198 WeakPolarHBondContact SD-CB 3.48Å; L198-E203 HydrophobicContact CD1-CB 4.32Å; L198-E203 HydrophobicContact CD1-CG 3.56Å; L198-E203 HydrophobicContact CG-CG 4.28Å; L198-I206 HydrophobicContact CD1-CG1 4.47Å; L198-Q228 HydrophobicContact CD2-CB 3.2Å; L198-Q228 HydrophobicContact CD2-CG 3.83Å; L198-I232 HydrophobicContact CD1-CD1 3.65Å
199	S	98.1	Very high	97.5	Very high	21 Å²	21	43.7 Å²	43.7	15%	0.147	28%	0.275	C	S	.	.			trans	-82.3	173.2	174	72.6	0	0	0	0	112.2	W180 F201 G202 E203	W180-S199 VanDerWaalsContact CA-OG 3.24Å; W180-S199 WeakPolarHBondContact CA-OG 3.4Å; W180-S199 VanDerWaalsContact CB-OG 3.23Å; W180-S199 WeakPolarHBondContact CB-OG 3.32Å; W180-S199 PolarHBondContact O-N 3.27Å; W180-S199 PolarHBondContact O-OG 3.18Å; S199-F201 PolarHBondContact O-N 2.97Å; S199-F201 PolarHBondContact OG-N 3.29Å; S199-G202 WeakPolarHBondContact O-CA 3.25Å; S199-G202 PolarHBondContact O-N 2.83Å; S199-G202 PolarHBondContact OG-N 2.96Å; S199-E203 PolarHBondContact O-N 3.31Å
200	A	97.3	Very high	97.5	Very high	72 Å²	72	40.7 Å²	40.7	60%	0.595	24%	0.243	S	C	*	.	H	α-helix	trans	-59.1	-31.9	170.7	0	0	0	0	0	113.1
201	F	98.4	Very high	97.5	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-73.2	-35.1	172	-177.1	-99.8	0	0	0	111.5	S154 L156 W180 S199 E203 K204 V205 I376	S154-F201 WeakPolarHBondContact O-CZ 3.49Å; L156-F201 HydrophobicContact CD1-CE2 4.35Å; L156-F201 HydrophobicContact CD2-CZ 4.24Å; L156-F201 HydrophobicContact CG-CE2 4.1Å; L156-F201 HydrophobicContact CG-CZ 4.02Å; W180-F201 HydrophobicContact CB-CB 4.34Å; W180-F201 HydrophobicContact CB-CD1 3.78Å; W180-F201 AromaticContact CD1-CD1 3.84Å; W180-F201 HydrophobicContact CD2-CD1 4.5Å; W180-F201 AromaticContact CG-CD1 3.76Å; W180-F201 HydrophobicContact CG-CD1 3.76Å; W180-F201 HydrophobicContact CG-CE1 4.26Å; S199-F201 PolarHBondContact O-N 2.97Å; S199-F201 PolarHBondContact OG-N 3.29Å; F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 2.95Å; F201-K204 HydrophobicContact CD2-CD 4.42Å; F201-K204 WeakPolarHBondContact O-CA 3.46Å; F201-K204 WeakPolarHBondContact O-CB 3.46Å; F201-K204 PolarHBondContact O-N 3.03Å; F201-V205 HydrophobicContact CD1-CG2 3.98Å; F201-V205 HydrophobicContact CE1-CG2 3.62Å; F201-V205 HydrophobicContact CZ-CG2 4.2Å; F201-V205 PolarHBondContact O-N 3.48Å; F201-I376 HydrophobicContact CB-CB 4.29Å; F201-I376 HydrophobicContact CB-CD1 4.16Å; F201-I376 HydrophobicContact CB-CG1 3.93Å; F201-I376 HydrophobicContact CD1-CB 3.88Å; F201-I376 HydrophobicContact CD1-CD1 3.7Å; F201-I376 HydrophobicContact CD1-CG1 4Å; F201-I376 VanDerWaalsContact CD2-CA 3.44Å; F201-I376 HydrophobicContact CD2-CB 3.58Å; F201-I376 HydrophobicContact CD2-CG1 4.19Å; F201-I376 HydrophobicContact CE1-CB 4.05Å; F201-I376 HydrophobicContact CE1-CD1 4.29Å; F201-I376 HydrophobicContact CE2-CB 3.78Å; F201-I376 HydrophobicContact CG-CB 3.62Å; F201-I376 HydrophobicContact CG-CD1 3.95Å; F201-I376 HydrophobicContact CG-CG1 3.76Å; F201-I376 HydrophobicContact CZ-CB 4Å
202	G	98.4	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-40.3	173.6	0	0	0	0	0	112.1	S199 K204 V205 I206	S199-G202 WeakPolarHBondContact O-CA 3.25Å; S199-G202 PolarHBondContact O-N 2.83Å; S199-G202 PolarHBondContact OG-N 2.96Å; G202-K204 VanDerWaalsContact C-N 3.26Å; G202-K204 PolarHBondContact O-N 3.33Å; G202-V205 WeakPolarHBondContact O-CB 3.43Å; G202-V205 PolarHBondContact O-N 3.5Å; G202-V205 VanDerWaalsContact O-N 3.12Å; G202-I206 WeakPolarHBondContact O-CG1 3.38Å; G202-I206 PolarHBondContact O-N 2.73Å
203	E	98.2	Very high	97.7	Very high	107 Å²	107	34.2 Å²	34.2	50%	0.5	19%	0.192	S	C	.	.	H	α-helix	trans	-59.8	-37.7	174.5	-68.2	177.6	-173	0	0	111.8	L198 S199 F201 I206 A207 I232	L198-E203 HydrophobicContact CD1-CB 4.32Å; L198-E203 HydrophobicContact CD1-CG 3.56Å; L198-E203 HydrophobicContact CG-CG 4.28Å; S199-E203 PolarHBondContact O-N 3.31Å; F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 2.95Å; E203-I206 PolarHBondContact O-N 2.83Å; E203-A207 WeakPolarHBondContact O-CB 3.18Å; E203-A207 PolarHBondContact O-N 3.06Å; E203-I232 HydrophobicContact CB-CD1 4.45Å; E203-I232 HydrophobicContact CG-CD1 4.09Å
204	K	98.3	Very high	97.8	Very high	63 Å²	63	31.4 Å²	31.4	27%	0.274	17%	0.172	S	C	.	.	H	α-helix	trans	-68	-38.3	175.2	-62.2	178.7	176	-129.5	0	112.3	F201 G202 I206 A207 E208 D372 S374	F201-K204 HydrophobicContact CD2-CD 4.42Å; F201-K204 WeakPolarHBondContact O-CA 3.46Å; F201-K204 WeakPolarHBondContact O-CB 3.46Å; F201-K204 PolarHBondContact O-N 3.03Å; G202-K204 VanDerWaalsContact C-N 3.26Å; G202-K204 PolarHBondContact O-N 3.33Å; K204-I206 VanDerWaalsContact C-N 3.34Å; K204-A207 PolarHBondContact O-N 3.33Å; K204-E208 WeakPolarHBondContact O-CB 3.39Å; K204-E208 PolarHBondContact O-N 2.86Å; K204-D372 WeakPolarHBondContact CD-OD2 3.3Å; K204-D372 WeakPolarHBondContact CE-OD2 3.48Å; K204-D372 IonicContact NZ-OD1 3.65Å; K204-D372 PolarHBondContact NZ-OD1 2.78Å; K204-D372 IonicContact NZ-OD2 3.52Å; K204-D372 PolarHBondContact NZ-OD2 2.83Å; K204-S374 VanDerWaalsContact NZ-CB 3.28Å; K204-S374 PolarHBondContact NZ-OG 3.03Å
205	V	98.7	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-47.1	173.7	175.3	0	0	0	0	110	I152 L156 L159 M170 W180 F201 G202 A207 E208 M209	I152-V205 HydrophobicContact CD1-CG1 4.46Å; I152-V205 HydrophobicContact CD1-CG2 4.3Å; L156-V205 HydrophobicContact CD2-CG2 3.99Å; L159-V205 HydrophobicContact CD2-CG1 4.37Å; M170-V205 HydrophobicContact CE-CG1 3.89Å; W180-V205 HydrophobicContact CD2-CG2 4.22Å; W180-V205 HydrophobicContact CE3-CB 4.34Å; W180-V205 HydrophobicContact CE3-CG2 4.16Å; W180-V205 HydrophobicContact CH2-CG1 3.9Å; W180-V205 HydrophobicContact CZ3-CB 4.19Å; W180-V205 HydrophobicContact CZ3-CG1 3.89Å; W180-V205 HydrophobicContact CZ3-CG2 4.33Å; F201-V205 HydrophobicContact CD1-CG2 3.98Å; F201-V205 HydrophobicContact CE1-CG2 3.62Å; F201-V205 HydrophobicContact CZ-CG2 4.2Å; F201-V205 PolarHBondContact O-N 3.48Å; G202-V205 WeakPolarHBondContact O-CB 3.43Å; G202-V205 PolarHBondContact O-N 3.5Å; G202-V205 VanDerWaalsContact O-N 3.12Å; V205-A207 PolarHBondContact O-N 3.07Å; V205-E208 PolarHBondContact O-N 3.15Å; V205-M209 HydrophobicContact CG1-CG 4.48Å; V205-M209 HydrophobicContact CG1-SD 4.05Å; V205-M209 VanDerWaalsContact O-CG 3.27Å; V205-M209 WeakPolarHBondContact O-CG 3.44Å; V205-M209 PolarHBondContact O-N 2.81Å
206	I	98.7	Very high	98.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-46.4	176.7	-62	-56.3	0	0	0	111.6	L172 L198 G202 E203 K204 E208 M209 N210 I216 V229 I232	L172-I206 HydrophobicContact CD1-CD1 3.85Å; L172-I206 HydrophobicContact CD2-CD1 3.68Å; L172-I206 HydrophobicContact CG-CD1 4.43Å; L198-I206 HydrophobicContact CD1-CG1 4.47Å; G202-I206 WeakPolarHBondContact O-CG1 3.38Å; G202-I206 PolarHBondContact O-N 2.73Å; E203-I206 PolarHBondContact O-N 2.83Å; K204-I206 VanDerWaalsContact C-N 3.34Å; I206-E208 VanDerWaalsContact C-N 3.34Å; I206-E208 PolarHBondContact O-N 3.43Å; I206-M209 PolarHBondContact O-N 3.2Å; I206-N210 PolarHBondContact O-N 3.49Å; I206-I216 HydrophobicContact CD1-CD1 4.22Å; I206-I216 HydrophobicContact CD1-CG1 4.38Å; I206-I216 HydrophobicContact CD1-CG2 4.01Å; I206-I216 HydrophobicContact CG2-CD1 3.81Å; I206-V229 HydrophobicContact CD1-CG1 4.13Å; I206-V229 HydrophobicContact CD1-CG2 4.01Å; I206-V229 HydrophobicContact CG1-CG2 4.33Å; I206-I232 HydrophobicContact CB-CD1 4.13Å; I206-I232 HydrophobicContact CG1-CD1 4.2Å; I206-I232 HydrophobicContact CG2-CD1 4.02Å; I206-I232 HydrophobicContact CG2-CG1 3.92Å
207	A	98.4	Very high	98.3	Very high	51 Å²	51	19.8 Å²	19.8	42%	0.421	12%	0.115	S	C	.	.	H	α-helix	trans	-61.4	-40.8	178	0	0	0	0	0	112.5	E203 K204 V205 N210 R211	E203-A207 WeakPolarHBondContact O-CB 3.18Å; E203-A207 PolarHBondContact O-N 3.06Å; K204-A207 PolarHBondContact O-N 3.33Å; V205-A207 PolarHBondContact O-N 3.07Å; A207-N210 PolarHBondContact O-N 3.2Å; A207-R211 PolarHBondContact O-N 3.14Å
208	E	98.7	Very high	98.4	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-69.5	-38	178	-177.2	64.3	173.4	0	0	111.8	L156 L159 R160 K204 V205 I206 R211 L212	L156-E208 HydrophobicContact CD2-CB 4.07Å; L156-E208 HydrophobicContact CD2-CG 4.29Å; L159-E208 HydrophobicContact CD2-CB 4.12Å; L159-E208 HydrophobicContact CD2-CG 3.82Å; R160-E208 WeakPolarHBondContact CD-OE1 3.46Å; R160-E208 WeakPolarHBondContact CG-OE1 3.39Å; R160-E208 IonicContact CZ-OE1 2.74Å; R160-E208 IonicContact NE-OE1 3.08Å; R160-E208 IonicContact NH1-OE1 3.63Å; R160-E208 PolarHBondContact NH1-OE1 3.03Å; K204-E208 WeakPolarHBondContact O-CB 3.39Å; K204-E208 PolarHBondContact O-N 2.86Å; V205-E208 PolarHBondContact O-N 3.15Å; I206-E208 VanDerWaalsContact C-N 3.34Å; I206-E208 PolarHBondContact O-N 3.43Å; E208-R211 PolarHBondContact O-N 2.93Å; E208-R211 IonicContact OE1-CZ 3.76Å; E208-R211 IonicContact OE1-NE 3.26Å; E208-R211 IonicContact OE1-NH2 2.62Å; E208-R211 PolarHBondContact OE1-NH2 2.83Å; E208-R211 IonicContact OE2-CZ 2.7Å; E208-R211 IonicContact OE2-NE 3.63Å; E208-R211 PolarHBondContact OE2-NE 3.31Å; E208-R211 IonicContact OE2-NH2 2.78Å; E208-R211 PolarHBondContact OE2-NH2 3.3Å; E208-L212 HydrophobicContact CG-CD1 4.08Å; E208-L212 HydrophobicContact CG-CG 4.44Å; E208-L212 WeakPolarHBondContact O-CB 3.14Å; E208-L212 VanDerWaalsContact O-CG 3.28Å; E208-L212 WeakPolarHBondContact O-CG 3.42Å; E208-L212 PolarHBondContact O-N 3.04Å
209	M	98.8	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-43.6	172.6	-69.8	175.8	75.2	0	0	111.7	L159 M170 L172 V205 I206 L212 G213 M214 L215 I216	L159-M209 HydrophobicContact CD1-CG 4.27Å; L159-M209 HydrophobicContact CD2-CG 4Å; M170-M209 HydrophobicContact CB-CE 3.79Å; M170-M209 HydrophobicContact CE-CE 4.26Å; M170-M209 HydrophobicContact CE-SD 3.68Å; L172-M209 HydrophobicContact CD2-CE 4.48Å; L172-M209 HydrophobicContact CD2-SD 3.93Å; V205-M209 HydrophobicContact CG1-CG 4.48Å; V205-M209 HydrophobicContact CG1-SD 4.05Å; V205-M209 VanDerWaalsContact O-CG 3.27Å; V205-M209 WeakPolarHBondContact O-CG 3.44Å; V205-M209 PolarHBondContact O-N 2.81Å; I206-M209 PolarHBondContact O-N 3.2Å; M209-L212 PolarHBondContact O-N 3.28Å; M209-G213 PolarHBondContact O-N 3.13Å; M209-M214 HydrophobicContact CB-CB 4.27Å; M209-M214 HydrophobicContact CE-CG 4.04Å; M209-M214 HydrophobicContact CE-SD 3.91Å; M209-M214 HydrophobicContact CG-CB 4.47Å; M209-M214 HydrophobicContact CG-SD 4.24Å; M209-M214 PolarHBondContact O-N 2.89Å; M209-L215 VanDerWaalsContact CE-O 3.25Å; M209-L215 WeakPolarHBondContact CE-O 3.36Å; M209-I216 HydrophobicContact CB-CD1 4.34Å; M209-I216 HydrophobicContact CB-CG1 3.86Å; M209-I216 HydrophobicContact CE-CB 4.1Å; M209-I216 HydrophobicContact CE-CG1 3.6Å; M209-I216 HydrophobicContact SD-CG1 3.9Å
210	N	98.8	Very high	98.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-44.9	172.9	-69.2	161.6	0	0	0	111.9	I206 A207 L212 G213 I216 S233 K234 V362 M366	I206-N210 PolarHBondContact O-N 3.49Å; A207-N210 PolarHBondContact O-N 3.2Å; N210-L212 VanDerWaalsContact C-N 3.32Å; N210-L212 PolarHBondContact O-N 2.64Å; N210-G213 PolarHBondContact O-N 3.38Å; N210-I216 WeakPolarHBondContact ND2-CD1 3.46Å; N210-S233 PolarHBondContact ND2-OG 3.04Å; N210-S233 VanDerWaalsContact ND2-OG 3.08Å; N210-K234 HydrophobicContact CB-CB 4.41Å; N210-K234 PolarHBondContact OD1-N 2.85Å; N210-V362 HydrophobicContact CB-CG1 4.36Å; N210-M366 HydrophobicContact CB-SD 4.23Å
211	R	98.4	Very high	98.7	Very high	45 Å²	45	15.1 Å²	15.1	17%	0.17	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-38.4	179.2	-165.6	-165.3	65.1	73.2	7.1	112.1	A207 E208 G213 R363 M366	A207-R211 PolarHBondContact O-N 3.14Å; E208-R211 PolarHBondContact O-N 2.93Å; E208-R211 IonicContact OE1-CZ 3.76Å; E208-R211 IonicContact OE1-NE 3.26Å; E208-R211 IonicContact OE1-NH2 2.62Å; E208-R211 PolarHBondContact OE1-NH2 2.83Å; E208-R211 IonicContact OE2-CZ 2.7Å; E208-R211 IonicContact OE2-NE 3.63Å; E208-R211 PolarHBondContact OE2-NE 3.31Å; E208-R211 IonicContact OE2-NH2 2.78Å; E208-R211 PolarHBondContact OE2-NH2 3.3Å; R211-G213 VanDerWaalsContact C-N 3.32Å; R211-R363 WeakPolarHBondContact O-CG 2.96Å; R211-M366 HydrophobicContact CB-CE 3.8Å; R211-M366 HydrophobicContact CG-CB 4.16Å; R211-M366 HydrophobicContact CG-CE 4.12Å
212	L	98.4	Very high	98.7	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.058	8%	0.077	C	C	.	.	H	α-helix	trans	-72.2	-25.2	176.6	-73	171	0	0	0	112.7	L159 R160 Y163 E208 M209 N210 M214 R363	L159-L212 HydrophobicContact CD2-CD1 4.43Å; L159-L212 HydrophobicContact CG-CD1 4.19Å; R160-L212 HydrophobicContact CG-CD1 4.11Å; R160-L212 HydrophobicContact CG-CD2 4.2Å; Y163-L212 HydrophobicContact CD1-CD2 4.02Å; Y163-L212 HydrophobicContact CD2-CB 4Å; Y163-L212 HydrophobicContact CE2-CB 4.11Å; Y163-L212 VanDerWaalsContact CE2-O 3.28Å; Y163-L212 WeakPolarHBondContact CE2-O 3.37Å; Y163-L212 HydrophobicContact CG-CB 4.27Å; Y163-L212 HydrophobicContact CG-CD1 4.33Å; Y163-L212 HydrophobicContact CG-CD2 4.12Å; Y163-L212 HydrophobicContact CG-CG 4.49Å; Y163-L212 PolarHBondContact OH-O 3.26Å; E208-L212 HydrophobicContact CG-CD1 4.08Å; E208-L212 HydrophobicContact CG-CG 4.44Å; E208-L212 WeakPolarHBondContact O-CB 3.14Å; E208-L212 VanDerWaalsContact O-CG 3.28Å; E208-L212 WeakPolarHBondContact O-CG 3.42Å; E208-L212 PolarHBondContact O-N 3.04Å; M209-L212 PolarHBondContact O-N 3.28Å; N210-L212 VanDerWaalsContact C-N 3.32Å; N210-L212 PolarHBondContact O-N 2.64Å; L212-M214 HydrophobicContact CB-CB 4.37Å; L212-R363 WeakPolarHBondContact O-CD 3.46Å; L212-R363 WeakPolarHBondContact O-CG 3.27Å
213	G	98.7	Very high	98.7	Very high	4 Å²	4	16.5 Å²	16.5	4%	0.041	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	38.5	-165.4	0	0	0	0	0	111.2	M209 N210 R211 V359	M209-G213 PolarHBondContact O-N 3.13Å; N210-G213 PolarHBondContact O-N 3.38Å; R211-G213 VanDerWaalsContact C-N 3.32Å; G213-V359 WeakPolarHBondContact O-CG1 3.46Å
214	M	98.9	Very high	98.7	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-92.4	128.5	168.2	-172.8	-179.6	-68.8	0	0	108	L159 Y163 V167 M170 M209 L212 I216	L159-M214 HydrophobicContact CD1-CE 3.83Å; L159-M214 HydrophobicContact CD1-SD 3.69Å; Y163-M214 HydrophobicContact CD2-CB 4.12Å; Y163-M214 HydrophobicContact CD2-CE 3.76Å; Y163-M214 HydrophobicContact CE2-CB 4.37Å; Y163-M214 HydrophobicContact CG-CE 4.22Å; V167-M214 HydrophobicContact CB-CE 4.47Å; V167-M214 HydrophobicContact CG1-CE 4.17Å; V167-M214 HydrophobicContact CG1-SD 4.49Å; M170-M214 HydrophobicContact CB-SD 3.83Å; M209-M214 HydrophobicContact CB-CB 4.27Å; M209-M214 HydrophobicContact CE-CG 4.04Å; M209-M214 HydrophobicContact CE-SD 3.91Å; M209-M214 HydrophobicContact CG-CB 4.47Å; M209-M214 HydrophobicContact CG-SD 4.24Å; M209-M214 PolarHBondContact O-N 2.89Å; L212-M214 HydrophobicContact CB-CB 4.37Å; M214-I216 PolarHBondContact O-N 3.33Å
215	L	98.9	Very high	98.8	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	133.1	172.6	-67	156.3	0	0	0	109.3	F86 R168 Y169 M170 M209 I238 V355 M356 V359	F86-L215 HydrophobicContact CE1-CD1 4.29Å; F86-L215 HydrophobicContact CZ-CD1 3.94Å; R168-L215 WeakPolarHBondContact O-CB 3.37Å; R168-L215 PolarHBondContact O-N 3.2Å; Y169-L215 VanDerWaalsContact CA-O 3.24Å; Y169-L215 WeakPolarHBondContact CA-O 3.31Å; Y169-L215 WeakPolarHBondContact CB-O 3.46Å; M170-L215 PolarHBondContact N-O 2.91Å; M209-L215 VanDerWaalsContact CE-O 3.25Å; M209-L215 WeakPolarHBondContact CE-O 3.36Å; L215-I238 HydrophobicContact CB-CD1 4.36Å; L215-I238 HydrophobicContact CD1-CD1 4.48Å; L215-I238 HydrophobicContact CD2-CG2 3.79Å; L215-V355 HydrophobicContact CD2-CG1 3.61Å; L215-M356 HydrophobicContact CD1-CG 4Å; L215-M356 HydrophobicContact CD2-CG 4.37Å; L215-V359 HydrophobicContact CD2-CB 4.34Å; L215-V359 HydrophobicContact CD2-CG2 3.76Å
216	I	99	Very high	98.8	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.2	172	-63.6	155.1	0	0	0	107.9	L172 I206 M209 N210 M214 L218 V229 S233 V237 I238	L172-I216 HydrophobicContact CD1-CG2 3.9Å; L172-I216 HydrophobicContact CD2-CG2 4.03Å; L172-I216 HydrophobicContact CG-CG2 4.07Å; I206-I216 HydrophobicContact CD1-CD1 4.22Å; I206-I216 HydrophobicContact CD1-CG1 4.38Å; I206-I216 HydrophobicContact CD1-CG2 4.01Å; I206-I216 HydrophobicContact CG2-CD1 3.81Å; M209-I216 HydrophobicContact CB-CD1 4.34Å; M209-I216 HydrophobicContact CB-CG1 3.86Å; M209-I216 HydrophobicContact CE-CB 4.1Å; M209-I216 HydrophobicContact CE-CG1 3.6Å; M209-I216 HydrophobicContact SD-CG1 3.9Å; N210-I216 WeakPolarHBondContact ND2-CD1 3.46Å; M214-I216 PolarHBondContact O-N 3.33Å; I216-L218 HydrophobicContact CG2-CD2 4.28Å; I216-V229 HydrophobicContact CG2-CG1 3.82Å; I216-S233 WeakPolarHBondContact CD1-OG 3.13Å; I216-V237 HydrophobicContact CB-CG1 4.08Å; I216-V237 HydrophobicContact CD1-CG1 4.48Å; I216-V237 HydrophobicContact CG2-CG1 4.37Å; I216-I238 PolarHBondContact O-N 2.92Å
217	D	99	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.5	178.9	176.9	27.4	0	0	0	111.4	Y169 M170 T171 L172 A219 I238 F239 S240	Y169-D217 HydrophobicContact CD2-CB 4.02Å; Y169-D217 HydrophobicContact CG-CB 4.45Å; M170-D217 PolarHBondContact O-N 2.95Å; M170-D217 VanDerWaalsContact O-N 3.09Å; T171-D217 WeakPolarHBondContact CA-O 3.33Å; T171-D217 WeakPolarHBondContact CB-OD2 3.2Å; T171-D217 WeakPolarHBondContact CG2-OD2 3.35Å; T171-D217 PolarHBondContact OG1-OD2 3.43Å; L172-D217 PolarHBondContact N-O 3.14Å; L172-D217 VanDerWaalsContact N-O 3.16Å; D217-A219 WeakPolarHBondContact OD1-CB 3.4Å; D217-A219 PolarHBondContact OD1-N 2.96Å; D217-I238 WeakPolarHBondContact CA-O 3.21Å; D217-I238 HydrophobicContact CB-CD1 4.02Å; D217-I238 HydrophobicContact CB-CG1 3.66Å; D217-F239 WeakPolarHBondContact OD1-CA 3.49Å; D217-S240 VanDerWaalsContact CG-OG 3.28Å; D217-S240 PolarHBondContact OD1-N 3.14Å; D217-S240 PolarHBondContact OD1-OG 3.33Å; D217-S240 VanDerWaalsContact OD2-CB 3.31Å; D217-S240 WeakPolarHBondContact OD2-CB 3.27Å; D217-S240 PolarHBondContact OD2-OG 3.17Å
218	L	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.			trans	-97	6.1	-177.8	-62.6	-177.6	0	0	0	113.2	L172 I216 V221 M226 V229 L230 V237 I238 F239	L172-L218 HydrophobicContact CD1-CD2 3.79Å; I216-L218 HydrophobicContact CG2-CD2 4.28Å; L218-V221 HydrophobicContact CB-CG2 4.18Å; L218-V221 HydrophobicContact CD2-CG2 4.21Å; L218-V221 VanDerWaalsContact O-CG2 3.28Å; L218-V221 WeakPolarHBondContact O-CG2 3.44Å; L218-M226 HydrophobicContact CD1-CB 4.44Å; L218-V229 HydrophobicContact CD2-CB 3.85Å; L218-V229 HydrophobicContact CD2-CG1 3.86Å; L218-V229 HydrophobicContact CD2-CG2 4.05Å; L218-L230 HydrophobicContact CD1-CG 4.39Å; L218-V237 HydrophobicContact CD1-CB 4.27Å; L218-V237 HydrophobicContact CD1-CG2 3.61Å; L218-V237 HydrophobicContact CG-CB 4.45Å; L218-V237 HydrophobicContact CG-CG2 4.27Å; L218-I238 PolarHBondContact N-O 3.43Å; L218-F239 HydrophobicContact CB-CD1 3.65Å; L218-F239 HydrophobicContact CB-CD2 4.29Å; L218-F239 HydrophobicContact CB-CE1 3.36Å; L218-F239 HydrophobicContact CB-CE2 4.04Å; L218-F239 HydrophobicContact CB-CG 4.11Å; L218-F239 HydrophobicContact CB-CZ 3.57Å; L218-F239 HydrophobicContact CD1-CE1 4.38Å; L218-F239 HydrophobicContact CD1-CE2 3.9Å; L218-F239 HydrophobicContact CD1-CZ 3.72Å; L218-F239 HydrophobicContact CG-CZ 4.31Å; L218-F239 WeakPolarHBondContact O-CD1 3.4Å; L218-F239 WeakPolarHBondContact O-CE1 3.48Å
219	A	98.9	Very high	98.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	149.7	163.2	0	0	0	0	0	110	T171 D217 V221	T171-A219 HydrophobicContact CG2-CB 3.93Å; T171-A219 WeakPolarHBondContact CG2-O 3.07Å; D217-A219 WeakPolarHBondContact OD1-CB 3.4Å; D217-A219 PolarHBondContact OD1-N 2.96Å; A219-V221 PolarHBondContact O-N 3.21Å
220	H	98.9	Very high	98.8	Very high	9 Å²	9	14.1 Å²	14.1	4%	0.042	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	0.3	178	-72.8	-93.4	0	0	0	118.2	E147 T171 T173 H174 S175 W184 H241 R252	E147-H220 IonicContact OE1-CD2 3.78Å; E147-H220 IonicContact OE1-NE2 3.87Å; E147-H220 PolarHBondContact OE1-NE2 3.22Å; T171-H220 HydrophobicContact CG2-CB 4.38Å; T173-H220 WeakPolarHBondContact O-CB 3.23Å; T173-H220 PolarHBondContact OG1-O 3.43Å; H174-H220 AromaticContact CD2-CE1 3.32Å; H174-H220 PolarHBondContact CD2-CE1 3.34Å; H174-H220 AromaticContact CD2-ND1 3.5Å; H174-H220 PolarHBondContact CD2-ND1 3.24Å; H174-H220 AromaticContact CD2-NE2 3.82Å; H174-H220 AromaticContact NE2-CE1 3.44Å; H174-H220 PolarHBondContact NE2-CE1 3.04Å; H174-H220 AromaticContact NE2-ND1 3.9Å; S175-H220 PolarHBondContact OG-ND1 2.97Å; W184-H220 VanDerWaalsContact CB-O 3.31Å; W184-H220 WeakPolarHBondContact CB-O 3.37Å; W184-H220 AromaticContact CD1-ND1 3.79Å; W184-H220 PolarHBondContact N-O 3.01Å; W184-H220 AromaticContact NE1-ND1 3.75Å; H220-H241 AromaticContact CD2-CE1 3.87Å; H220-H241 AromaticContact CD2-NE2 3.37Å; H220-H241 PolarHBondContact CD2-NE2 3.47Å; H220-H241 AromaticContact NE2-NE2 3.15Å; H220-H241 PolarHBondContact NE2-NE2 2.87Å; H220-H241 VanDerWaalsContact NE2-NE2 3.15Å; H220-R252 PolarHBondContact CD2-NE 3.37Å; H220-R252 PolarHBondContact CD2-NH2 2.9Å; H220-R252 PolarHBondContact CE1-NE 3.26Å; H220-R252 VanDerWaalsContact CE1-NE 3.25Å; H220-R252 VanDerWaalsContact N-CZ 3.27Å; H220-R252 PolarHBondContact ND1-NE 3.42Å; H220-R252 PolarHBondContact NE2-NE 3.22Å; H220-R252 VanDerWaalsContact NE2-NE 3.18Å; H220-R252 PolarHBondContact NE2-NH2 3.42Å
221	V	98.9	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.			trans	-92.6	158.6	176.8	-47.4	0	0	0	0	111.6	L172 L218 A219 V225 M226	L172-V221 HydrophobicContact CB-CG1 3.85Å; L172-V221 HydrophobicContact CD1-CG1 4.39Å; L218-V221 HydrophobicContact CB-CG2 4.18Å; L218-V221 HydrophobicContact CD2-CG2 4.21Å; L218-V221 VanDerWaalsContact O-CG2 3.28Å; L218-V221 WeakPolarHBondContact O-CG2 3.44Å; A219-V221 PolarHBondContact O-N 3.21Å; V221-V225 HydrophobicContact CB-CB 3.86Å; V221-V225 HydrophobicContact CB-CG1 3.67Å; V221-V225 HydrophobicContact CG1-CG1 3.97Å; V221-V225 HydrophobicContact CG2-CB 3.91Å; V221-V225 HydrophobicContact CG2-CG1 3.73Å; V221-M226 HydrophobicContact CG2-CE 4.38Å; V221-M226 HydrophobicContact CG2-CG 3.53Å; V221-M226 WeakPolarHBondContact O-CE 3.41Å
222	P	98.8	Very high	98.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.104	C	C	.	.			trans	-78.8	161	174.4	33.2	-32.3	0	0	0	110.9	D182 N183 V186 D187 K224 V225 M226	D182-P222 HydrophobicContact CB-CG 3.92Å; D182-P222 WeakPolarHBondContact O-CD 3.36Å; N183-P222 VanDerWaalsContact C-CD 3.41Å; V186-P222 HydrophobicContact CB-CB 4.4Å; D187-P222 VanDerWaalsContact OD2-CA 3.23Å; D187-P222 WeakPolarHBondContact OD2-CA 3.44Å; D187-P222 WeakPolarHBondContact OD2-CB 3.48Å; P222-K224 PolarHBondContact O-N 2.79Å; P222-V225 HydrophobicContact CG-CB 4.21Å; P222-V225 HydrophobicContact CG-CG2 3.77Å; P222-V225 WeakPolarHBondContact O-CB 3.13Å; P222-V225 PolarHBondContact O-N 2.91Å; P222-M226 WeakPolarHBondContact O-CG 3.34Å; P222-M226 PolarHBondContact O-N 2.69Å; P222-M226 VanDerWaalsContact O-N 3.07Å
223	V	98.8	Very high	98.8	Very high	35 Å²	35	21 Å²	21	21%	0.212	11%	0.109	C	C	.	.	H	α-helix	trans	-52.8	-33.8	-178.2	175	0	0	0	0	112.3	D187 M226 N227 P255 V258	D187-V223 WeakPolarHBondContact OD2-CG2 3.07Å; D187-V223 PolarHBondContact OD2-N 3.25Å; V223-M226 HydrophobicContact CG2-SD 4.4Å; V223-M226 WeakPolarHBondContact O-CB 3.44Å; V223-M226 PolarHBondContact O-N 2.88Å; V223-N227 PolarHBondContact O-N 3.35Å; V223-N227 VanDerWaalsContact O-N 3.09Å; V223-N227 PolarHBondContact O-ND2 2.96Å; V223-P255 HydrophobicContact CG2-CG 3.66Å; V223-V258 HydrophobicContact CG1-CG2 4.13Å
224	K	98.7	Very high	98.8	Very high	88 Å²	88	27.4 Å²	27.4	38%	0.383	14%	0.136	S	C	.	.	H	α-helix	trans	-62.2	-46.6	176.9	-172.3	157.7	-166.3	157.7	0	112.6	N196 P222 N227 Q228	N196-K224 PolarHBondContact ND2-NZ 3.37Å; N196-K224 VanDerWaalsContact ND2-NZ 3.18Å; N196-K224 WeakPolarHBondContact O-CD 3.5Å; N196-K224 WeakPolarHBondContact O-CE 3.2Å; N196-K224 WeakPolarHBondContact OD1-CE 3.39Å; N196-K224 PolarHBondContact OD1-NZ 3.07Å; P222-K224 PolarHBondContact O-N 2.79Å; K224-N227 PolarHBondContact O-N 3.3Å; K224-Q228 WeakPolarHBondContact O-CG 3.4Å; K224-Q228 PolarHBondContact O-N 2.93Å; K224-Q228 PolarHBondContact O-OE1 3.48Å
225	V	98.8	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-43	175.6	170.6	0	0	0	0	110.5	L172 M181 D182 G197 V221 P222 N227 Q228 V229	L172-V225 HydrophobicContact CD1-CG1 4.19Å; M181-V225 HydrophobicContact CE-CG1 4.44Å; M181-V225 HydrophobicContact CG-CG1 4.26Å; M181-V225 HydrophobicContact CG-CG2 4.24Å; M181-V225 HydrophobicContact SD-CB 4.09Å; M181-V225 HydrophobicContact SD-CG1 3.34Å; M181-V225 WeakPolarHBondContact SD-CG1 3.47Å; M181-V225 HydrophobicContact SD-CG2 3.52Å; M181-V225 VanDerWaalsContact SD-CG2 3.52Å; D182-V225 HydrophobicContact CB-CG2 4.48Å; G197-V225 WeakPolarHBondContact O-CG2 3.23Å; V221-V225 HydrophobicContact CB-CB 3.86Å; V221-V225 HydrophobicContact CB-CG1 3.67Å; V221-V225 HydrophobicContact CG1-CG1 3.97Å; V221-V225 HydrophobicContact CG2-CB 3.91Å; V221-V225 HydrophobicContact CG2-CG1 3.73Å; P222-V225 HydrophobicContact CG-CB 4.21Å; P222-V225 HydrophobicContact CG-CG2 3.77Å; P222-V225 WeakPolarHBondContact O-CB 3.13Å; P222-V225 PolarHBondContact O-N 2.91Å; V225-N227 VanDerWaalsContact C-N 3.26Å; V225-N227 PolarHBondContact O-N 3.31Å; V225-Q228 PolarHBondContact O-N 2.95Å; V225-V229 HydrophobicContact CG1-CG2 3.9Å; V225-V229 WeakPolarHBondContact O-CB 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.3Å; V225-V229 PolarHBondContact O-N 2.96Å
226	M	98.9	Very high	98.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-51.9	-50.1	177.7	-58	177.3	-168.8	0	0	110.6	L218 V221 P222 V223 L230 F239 V258	L218-M226 HydrophobicContact CD1-CB 4.44Å; V221-M226 HydrophobicContact CG2-CE 4.38Å; V221-M226 HydrophobicContact CG2-CG 3.53Å; V221-M226 WeakPolarHBondContact O-CE 3.41Å; P222-M226 WeakPolarHBondContact O-CG 3.34Å; P222-M226 PolarHBondContact O-N 2.69Å; P222-M226 VanDerWaalsContact O-N 3.07Å; V223-M226 HydrophobicContact CG2-SD 4.4Å; V223-M226 WeakPolarHBondContact O-CB 3.44Å; V223-M226 PolarHBondContact O-N 2.88Å; M226-L230 WeakPolarHBondContact O-CB 3.5Å; M226-L230 WeakPolarHBondContact O-CD1 3.36Å; M226-L230 WeakPolarHBondContact O-CG 3.47Å; M226-L230 PolarHBondContact O-N 3.21Å; M226-F239 HydrophobicContact CB-CZ 4.32Å; M226-F239 HydrophobicContact CE-CE1 3.99Å; M226-F239 HydrophobicContact CG-CE1 3.95Å; M226-F239 HydrophobicContact CG-CZ 3.96Å; M226-F239 HydrophobicContact SD-CE1 3.72Å; M226-F239 HydrophobicContact SD-CZ 3.84Å; M226-V258 HydrophobicContact CB-CG1 3.95Å; M226-V258 HydrophobicContact CB-CG2 4.35Å; M226-V258 HydrophobicContact SD-CG1 4Å; M226-V258 HydrophobicContact SD-CG2 4.24Å
227	N	98.9	Very high	98.8	Very high	31 Å²	31	28.4 Å²	28.4	17%	0.166	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-47.8	180	-82.6	-71.9	0	0	0	112.7	V223 K224 V225 V229 L230 D231 R261	V223-N227 PolarHBondContact O-N 3.35Å; V223-N227 VanDerWaalsContact O-N 3.09Å; V223-N227 PolarHBondContact O-ND2 2.96Å; K224-N227 PolarHBondContact O-N 3.3Å; V225-N227 VanDerWaalsContact C-N 3.26Å; V225-N227 PolarHBondContact O-N 3.31Å; N227-V229 PolarHBondContact O-N 3.02Å; N227-L230 PolarHBondContact O-N 3.09Å; N227-D231 PolarHBondContact O-N 2.89Å; N227-D231 VanDerWaalsContact O-OD2 3.05Å; N227-R261 VanDerWaalsContact CB-NH1 3.31Å; N227-R261 PolarHBondContact O-NH1 3.13Å; N227-R261 VanDerWaalsContact O-NH1 3.13Å; N227-R261 PolarHBondContact O-NH2 2.99Å; N227-R261 WeakPolarHBondContact OD1-CD 3.37Å; N227-R261 PolarHBondContact OD1-NH1 2.75Å
228	Q	98.8	Very high	98.8	Very high	50 Å²	50	28.5 Å²	28.5	23%	0.234	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-38.3	-178.2	-70.6	166.9	-50.8	0	0	112.3	N196 G197 L198 K224 V225 D231 I232	N196-Q228 PolarHBondContact O-NE2 3.29Å; G197-Q228 VanDerWaalsContact CA-OE1 3.3Å; L198-Q228 HydrophobicContact CD2-CB 3.2Å; L198-Q228 HydrophobicContact CD2-CG 3.83Å; K224-Q228 WeakPolarHBondContact O-CG 3.4Å; K224-Q228 PolarHBondContact O-N 2.93Å; K224-Q228 PolarHBondContact O-OE1 3.48Å; V225-Q228 PolarHBondContact O-N 2.95Å; Q228-D231 WeakPolarHBondContact O-CB 3.18Å; Q228-D231 PolarHBondContact O-N 3.43Å; Q228-D231 VanDerWaalsContact O-N 3.14Å; Q228-I232 WeakPolarHBondContact O-CG1 3.39Å; Q228-I232 PolarHBondContact O-N 3.48Å; Q228-I232 VanDerWaalsContact O-N 3.14Å
229	V	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-39	175.7	176.7	0	0	0	0	111	L172 I206 I216 L218 V225 N227 D231 I232 S233 V237	L172-V229 HydrophobicContact CD1-CG2 3.79Å; I206-V229 HydrophobicContact CD1-CG1 4.13Å; I206-V229 HydrophobicContact CD1-CG2 4.01Å; I206-V229 HydrophobicContact CG1-CG2 4.33Å; I216-V229 HydrophobicContact CG2-CG1 3.82Å; L218-V229 HydrophobicContact CD2-CB 3.85Å; L218-V229 HydrophobicContact CD2-CG1 3.86Å; L218-V229 HydrophobicContact CD2-CG2 4.05Å; V225-V229 HydrophobicContact CG1-CG2 3.9Å; V225-V229 WeakPolarHBondContact O-CB 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.3Å; V225-V229 PolarHBondContact O-N 2.96Å; N227-V229 PolarHBondContact O-N 3.02Å; V229-D231 PolarHBondContact O-N 3.39Å; V229-I232 PolarHBondContact O-N 3.22Å; V229-S233 VanDerWaalsContact O-CB 3.22Å; V229-S233 WeakPolarHBondContact O-CB 3.38Å; V229-S233 PolarHBondContact O-N 2.93Å; V229-V237 HydrophobicContact CG1-CG1 4.15Å
230	L	98.8	Very high	98.8	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-21.5	172.2	-72.6	168.3	0	0	0	113	L218 M226 N227 V237 V258 R261 L262 T265	L218-L230 HydrophobicContact CD1-CG 4.39Å; M226-L230 WeakPolarHBondContact O-CB 3.5Å; M226-L230 WeakPolarHBondContact O-CD1 3.36Å; M226-L230 WeakPolarHBondContact O-CG 3.47Å; M226-L230 PolarHBondContact O-N 3.21Å; N227-L230 PolarHBondContact O-N 3.09Å; L230-V237 HydrophobicContact CD2-CG2 3.58Å; L230-V237 HydrophobicContact CG-CG2 4.45Å; L230-V258 HydrophobicContact CD1-CG1 3.95Å; L230-R261 VanDerWaalsContact C-NH2 3.32Å; L230-R261 VanDerWaalsContact CB-NH2 3.34Å; L230-R261 HydrophobicContact CD1-CB 3.9Å; L230-L262 HydrophobicContact CD2-CD1 4.13Å; L230-T265 HydrophobicContact CD2-CG2 4.2Å; L230-T265 WeakPolarHBondContact CD2-OG1 3.12Å
231	D	98.7	Very high	98.8	Very high	110 Å²	110	28.1 Å²	28.1	59%	0.588	14%	0.142	S	C	*	.	H	α-helix	trans	-79.4	-37.7	173.9	-70.2	-42.2	0	0	0	112.4	N227 Q228 V229 R261	N227-D231 PolarHBondContact O-N 2.89Å; N227-D231 VanDerWaalsContact O-OD2 3.05Å; Q228-D231 WeakPolarHBondContact O-CB 3.18Å; Q228-D231 PolarHBondContact O-N 3.43Å; Q228-D231 VanDerWaalsContact O-N 3.14Å; V229-D231 PolarHBondContact O-N 3.39Å; D231-R261 IonicContact OD1-CZ 3.5Å; D231-R261 IonicContact OD1-NH1 3.2Å; D231-R261 IonicContact OD1-NH2 3.61Å; D231-R261 PolarHBondContact OD1-NH2 3.42Å; D231-R261 IonicContact OD2-NH1 3.63Å; D231-R261 IonicContact OD2-NH2 2.73Å
232	I	98.6	Very high	98.8	Very high	70 Å²	70	28.1 Å²	28.1	36%	0.359	14%	0.142	S	C	.	.	H	α-helix	trans	-106.3	-21.6	-168.4	71.6	177.8	0	0	0	114.8	L198 E203 I206 Q228 V229 K234	L198-I232 HydrophobicContact CD1-CD1 3.65Å; E203-I232 HydrophobicContact CB-CD1 4.45Å; E203-I232 HydrophobicContact CG-CD1 4.09Å; I206-I232 HydrophobicContact CB-CD1 4.13Å; I206-I232 HydrophobicContact CG1-CD1 4.2Å; I206-I232 HydrophobicContact CG2-CD1 4.02Å; I206-I232 HydrophobicContact CG2-CG1 3.92Å; Q228-I232 WeakPolarHBondContact O-CG1 3.39Å; Q228-I232 PolarHBondContact O-N 3.48Å; Q228-I232 VanDerWaalsContact O-N 3.14Å; V229-I232 PolarHBondContact O-N 3.22Å; I232-K234 PolarHBondContact O-N 3.49Å
233	S	98.8	Very high	98.8	Very high	23 Å²	23	28 Å²	28	16%	0.161	14%	0.142	C	C	.	.			trans	-66.5	130.8	-178.9	-177.4	0	0	0	0	110.7	N210 I216 V229 A235	N210-S233 PolarHBondContact ND2-OG 3.04Å; N210-S233 VanDerWaalsContact ND2-OG 3.08Å; I216-S233 WeakPolarHBondContact CD1-OG 3.13Å; V229-S233 VanDerWaalsContact O-CB 3.22Å; V229-S233 WeakPolarHBondContact O-CB 3.38Å; V229-S233 PolarHBondContact O-N 2.93Å; S233-A235 VanDerWaalsContact C-N 3.31Å; S233-A235 PolarHBondContact OG-N 2.59Å; S233-A235 PolarHBondContact OG-O 3.37Å
234	K	98.5	Very high	98.8	Very high	139 Å²	139	26.4 Å²	26.4	60%	0.604	13%	0.132	S	C	*	.	S	Bend	trans	-80	-14.8	175.7	-63.8	-177.9	178.8	179.1	0	113.3	N210 I232 V362 M366	N210-K234 HydrophobicContact CB-CB 4.41Å; N210-K234 PolarHBondContact OD1-N 2.85Å; I232-K234 PolarHBondContact O-N 3.49Å; K234-V362 HydrophobicContact CB-CG1 4.06Å; K234-V362 WeakPolarHBondContact O-CG2 3.23Å; K234-M366 HydrophobicContact CD-CE 4.32Å; K234-M366 HydrophobicContact CD-SD 3.91Å
235	A	98.8	Very high	98.8	Very high	9 Å²	9	25.1 Å²	25.1	7%	0.074	13%	0.125	C	C	.	.	S	Bend	trans	-121.9	157.5	-179.5	0	0	0	0	0	110.9	S233 V359 V362	S233-A235 VanDerWaalsContact C-N 3.31Å; S233-A235 PolarHBondContact OG-N 2.59Å; S233-A235 PolarHBondContact OG-O 3.37Å; A235-V359 HydrophobicContact CB-CB 4.41Å; A235-V359 HydrophobicContact CB-CG2 3.76Å; A235-V362 HydrophobicContact CB-CB 4.01Å; A235-V362 HydrophobicContact CB-CG1 4.2Å; A235-V362 HydrophobicContact CB-CG2 3.8Å
236	P	98.9	Very high	98.8	Very high	18 Å²	18	29 Å²	29	12%	0.117	15%	0.149	C	C	.	.			trans	-58	146.2	171.6	-21.5	33	0	0	0	112	G266 V355 E358 V359	P236-G266 WeakPolarHBondContact CB-O 3.48Å; P236-V355 HydrophobicContact CB-CG1 4.16Å; P236-V355 HydrophobicContact CB-CG2 4.34Å; P236-E358 HydrophobicContact CG-CB 3.94Å; P236-V359 WeakPolarHBondContact O-CG2 3.44Å
237	V	98.9	Very high	98.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.165	C	C	.	.			trans	-109.1	165.7	-178.3	-56.1	0	0	0	0	111.1	I216 L218 V229 L230 L262 G267 I268	I216-V237 HydrophobicContact CB-CG1 4.08Å; I216-V237 HydrophobicContact CD1-CG1 4.48Å; I216-V237 HydrophobicContact CG2-CG1 4.37Å; L218-V237 HydrophobicContact CD1-CB 4.27Å; L218-V237 HydrophobicContact CD1-CG2 3.61Å; L218-V237 HydrophobicContact CG-CB 4.45Å; L218-V237 HydrophobicContact CG-CG2 4.27Å; V229-V237 HydrophobicContact CG1-CG1 4.15Å; L230-V237 HydrophobicContact CD2-CG2 3.58Å; L230-V237 HydrophobicContact CG-CG2 4.45Å; V237-L262 HydrophobicContact CG2-CD1 3.71Å; V237-G267 CarbonylContact O-C 3.22Å; V237-G267 WeakPolarHBondContact O-CA 3.49Å; V237-I268 PolarHBondContact O-N 2.99Å; V237-I268 VanDerWaalsContact O-N 3.11Å
238	I	98.9	Very high	98.8	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156.5	176.3	75.5	175.2	0	0	0	110.9	Y169 L215 I216 D217 L218 I268 L352 V355	Y169-I238 HydrophobicContact CD1-CD1 3.89Å; Y169-I238 HydrophobicContact CE1-CD1 4.47Å; Y169-I238 HydrophobicContact CG-CD1 4.07Å; L215-I238 HydrophobicContact CB-CD1 4.36Å; L215-I238 HydrophobicContact CD1-CD1 4.48Å; L215-I238 HydrophobicContact CD2-CG2 3.79Å; I216-I238 PolarHBondContact O-N 2.92Å; D217-I238 WeakPolarHBondContact CA-O 3.21Å; D217-I238 HydrophobicContact CB-CD1 4.02Å; D217-I238 HydrophobicContact CB-CG1 3.66Å; L218-I238 PolarHBondContact N-O 3.43Å; I238-I268 CarbonylContact C-O 3.47Å; I238-I268 VanDerWaalsContact CA-O 3.31Å; I238-I268 WeakPolarHBondContact CA-O 3.3Å; I238-I268 HydrophobicContact CB-CG2 3.93Å; I238-I268 HydrophobicContact CG2-CG2 3.58Å; I238-L352 HydrophobicContact CG2-CD1 4.5Å; I238-V355 HydrophobicContact CG2-CG1 3.86Å
239	F	98.9	Very high	98.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.7	149.3	-65.4	-101.4	0	0	0	106.4	D217 L218 M226 H241 V254 V258 L262 I268 V269 M270	D217-F239 WeakPolarHBondContact OD1-CA 3.49Å; L218-F239 HydrophobicContact CB-CD1 3.65Å; L218-F239 HydrophobicContact CB-CD2 4.29Å; L218-F239 HydrophobicContact CB-CE1 3.36Å; L218-F239 HydrophobicContact CB-CE2 4.04Å; L218-F239 HydrophobicContact CB-CG 4.11Å; L218-F239 HydrophobicContact CB-CZ 3.57Å; L218-F239 HydrophobicContact CD1-CE1 4.38Å; L218-F239 HydrophobicContact CD1-CE2 3.9Å; L218-F239 HydrophobicContact CD1-CZ 3.72Å; L218-F239 HydrophobicContact CG-CZ 4.31Å; L218-F239 WeakPolarHBondContact O-CD1 3.4Å; L218-F239 WeakPolarHBondContact O-CE1 3.48Å; M226-F239 HydrophobicContact CB-CZ 4.32Å; M226-F239 HydrophobicContact CE-CE1 3.99Å; M226-F239 HydrophobicContact CG-CE1 3.95Å; M226-F239 HydrophobicContact CG-CZ 3.96Å; M226-F239 HydrophobicContact SD-CE1 3.72Å; M226-F239 HydrophobicContact SD-CZ 3.84Å; F239-H241 VanDerWaalsContact C-N 3.29Å; F239-H241 PolarHBondContact O-N 2.85Å; F239-V254 HydrophobicContact CD1-CG2 3.7Å; F239-V254 HydrophobicContact CD2-CG2 4.27Å; F239-V254 HydrophobicContact CE1-CG1 4.38Å; F239-V254 HydrophobicContact CE1-CG2 3.78Å; F239-V254 HydrophobicContact CE2-CG1 4.23Å; F239-V254 HydrophobicContact CE2-CG2 4.34Å; F239-V254 HydrophobicContact CG-CG2 3.96Å; F239-V254 HydrophobicContact CZ-CG1 3.99Å; F239-V254 HydrophobicContact CZ-CG2 4.11Å; F239-V258 HydrophobicContact CE2-CG1 4.33Å; F239-V258 HydrophobicContact CZ-CG1 3.89Å; F239-L262 HydrophobicContact CD2-CD1 4.38Å; F239-L262 HydrophobicContact CD2-CD2 3.9Å; F239-L262 HydrophobicContact CE2-CD1 4.1Å; F239-L262 HydrophobicContact CE2-CD2 3.99Å; F239-I268 PolarHBondContact N-O 2.92Å; F239-V269 HydrophobicContact CB-CB 4.32Å; F239-V269 HydrophobicContact CB-CG2 4.12Å; F239-V269 HydrophobicContact CD2-CB 4.38Å; F239-M270 VanDerWaalsContact O-CB 3.23Å; F239-M270 WeakPolarHBondContact O-CB 3.15Å; F239-M270 WeakPolarHBondContact O-CG 3.28Å; F239-M270 PolarHBondContact O-N 3.15Å
240	S	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-70	-24.9	-171.3	66	0	0	0	0	113.9	D217 M270 G308	D217-S240 VanDerWaalsContact CG-OG 3.28Å; D217-S240 PolarHBondContact OD1-N 3.14Å; D217-S240 PolarHBondContact OD1-OG 3.33Å; D217-S240 VanDerWaalsContact OD2-CB 3.31Å; D217-S240 WeakPolarHBondContact OD2-CB 3.27Å; D217-S240 PolarHBondContact OD2-OG 3.17Å; S240-M270 WeakPolarHBondContact O-CB 3.25Å; S240-G308 VanDerWaalsContact O-CA 3.24Å; S240-G308 WeakPolarHBondContact O-CA 3.28Å
241	H	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-159.8	77.5	177.3	58.8	-69.4	0	0	0	110.8	H44 E147 H220 F239 R252 M270 N272 G308 D310	H44-H241 HydrophobicContact CB-CB 3.79Å; H44-H241 AromaticContact CD2-CE1 3.97Å; H44-H241 AromaticContact CD2-CG 3.96Å; H44-H241 AromaticContact CD2-ND1 3.76Å; H44-H241 AromaticContact CE1-CE1 3.48Å; H44-H241 PolarHBondContact CE1-CE1 2.98Å; H44-H241 VanDerWaalsContact CE1-CE1 3.48Å; H44-H241 AromaticContact CE1-ND1 3.7Å; H44-H241 AromaticContact CG-CE1 3.8Å; H44-H241 AromaticContact CG-CG 3.7Å; H44-H241 AromaticContact CG-ND1 3.25Å; H44-H241 VanDerWaalsContact CG-ND1 3.25Å; H44-H241 AromaticContact ND1-CE1 3.49Å; H44-H241 PolarHBondContact ND1-CE1 3.35Å; H44-H241 AromaticContact ND1-ND1 3.22Å; H44-H241 PolarHBondContact ND1-ND1 3.45Å; H44-H241 AromaticContact NE2-CE1 3.81Å; E147-H241 IonicContact OE1-CE1 3.23Å; E147-H241 IonicContact OE1-NE2 2.77Å; H220-H241 AromaticContact CD2-CE1 3.87Å; H220-H241 AromaticContact CD2-NE2 3.37Å; H220-H241 PolarHBondContact CD2-NE2 3.47Å; H220-H241 AromaticContact NE2-NE2 3.15Å; H220-H241 PolarHBondContact NE2-NE2 2.87Å; H220-H241 VanDerWaalsContact NE2-NE2 3.15Å; F239-H241 VanDerWaalsContact C-N 3.29Å; F239-H241 PolarHBondContact O-N 2.85Å; H241-R252 PolarHBondContact CD2-NH2 3.25Å; H241-R252 PolarHBondContact NE2-NH2 3.16Å; H241-R252 PolarHBondContact O-NH2 2.81Å; H241-R252 VanDerWaalsContact O-NH2 3.12Å; H241-M270 CarbonylContact C-O 3.55Å; H241-M270 VanDerWaalsContact CA-O 3.25Å; H241-M270 WeakPolarHBondContact CA-O 3.37Å; H241-N272 HydrophobicContact CB-CB 4.25Å; H241-N272 PolarHBondContact CD2-ND2 2.82Å; H241-N272 PolarHBondContact O-ND2 2.71Å; H241-G308 VanDerWaalsContact CB-O 3.23Å; H241-G308 WeakPolarHBondContact CB-O 3.24Å; H241-D310 HydrophobicContact CB-CB 4.3Å; H241-D310 IonicContact CD2-OD2 3.21Å
242	S	98.9	Very high	98.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.			trans	-140.1	147	172.1	-82.1	0	0	0	0	111	R252 V269 M270 V271	S242-R252 WeakPolarHBondContact CB-O 3.28Å; S242-R252 PolarHBondContact OG-NH1 2.6Å; S242-R252 PolarHBondContact OG-O 3.38Å; S242-V269 WeakPolarHBondContact O-CG2 3.48Å; S242-M270 PolarHBondContact N-O 2.98Å; S242-V271 WeakPolarHBondContact O-CA 3.42Å
243	S	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	-109.3	-175.6	-178.8	-55.2	0	0	0	0	111.3	N253 V254 N272 H292	S243-N253 WeakPolarHBondContact CB-OD1 3Å; S243-N253 PolarHBondContact N-OD1 3.41Å; S243-N253 CarbonylContact O-C 3.54Å; S243-N253 WeakPolarHBondContact O-CA 3.44Å; S243-N253 WeakPolarHBondContact O-CB 3.47Å; S243-V254 PolarHBondContact O-N 3.45Å; S243-N272 WeakPolarHBondContact OG-CB 3.38Å; S243-N272 PolarHBondContact OG-N 3.46Å; S243-N272 PolarHBondContact OG-O 2.8Å; S243-H292 WeakPolarHBondContact CB-ND1 3.31Å
244	A	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-81.2	127.5	-178.3	0	0	0	0	0	114.1	V247 C248 H292 H295 I296	A244-V247 HydrophobicContact CB-CB 4.39Å; A244-V247 HydrophobicContact CB-CG2 4.04Å; A244-V247 PolarHBondContact O-N 3Å; A244-C248 PolarHBondContact O-N 3.35Å; A244-H292 HydrophobicContact CB-CB 4.37Å; A244-H292 WeakPolarHBondContact CB-ND1 3.32Å; A244-H292 PolarHBondContact N-ND1 2.63Å; A244-H292 PolarHBondContact O-CE1 3.33Å; A244-H292 VanDerWaalsContact O-CE1 3.28Å; A244-H292 PolarHBondContact O-ND1 3.05Å; A244-H295 HydrophobicContact CB-CB 4.39Å; A244-I296 HydrophobicContact CB-CD1 4.33Å; A244-I296 HydrophobicContact CB-CG1 3.92Å
245	Y	98.9	Very high	98.8	Very high	61 Å²	61	21.1 Å²	21.1	24%	0.239	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-35.9	-176.5	-176.1	-90.6	0	0	0	113.3	V247 C248 P249 H250 K251 N253 V254 P255	Y245-V247 PolarHBondContact O-N 3.2Å; Y245-C248 CarbonylContact C-O 3.31Å; Y245-C248 WeakPolarHBondContact CA-O 3.39Å; Y245-C248 CarbonylContact O-C 2.98Å; Y245-C248 PolarHBondContact O-N 3.05Å; Y245-P249 HydrophobicContact CD1-CB 4.46Å; Y245-P249 HydrophobicContact CE1-CB 3.93Å; Y245-P249 VanDerWaalsContact CE2-C 3.43Å; Y245-P249 HydrophobicContact CE2-CB 4.16Å; Y245-P249 VanDerWaalsContact O-CA 3.23Å; Y245-P249 WeakPolarHBondContact O-CA 3.46Å; Y245-P249 VanDerWaalsContact O-N 3.11Å; Y245-H250 VanDerWaalsContact CD2-O 3.29Å; Y245-H250 WeakPolarHBondContact CD2-O 3.41Å; Y245-K251 HydrophobicContact CE2-CD 3.95Å; Y245-K251 PolarHBondContact OH-NZ 3.14Å; Y245-N253 HydrophobicContact CD2-CB 4.41Å; Y245-V254 VanDerWaalsContact CB-O 3.28Å; Y245-V254 WeakPolarHBondContact CB-O 3.26Å; Y245-V254 PolarHBondContact N-O 2.89Å; Y245-P255 HydrophobicContact CG-CG 4.39Å
246	T	98.8	Very high	98.8	Very high	82 Å²	82	23 Å²	23	50%	0.503	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.8	-179.9	-62.4	0	0	0	0	112.4	D256 H295	T246-D256 PolarHBondContact OG1-OD1 2.93Å; T246-D256 VanDerWaalsContact OG1-OD1 3.06Å; T246-D256 PolarHBondContact OG1-OD2 2.77Å; T246-H295 VanDerWaalsContact CB-CE1 3.44Å; T246-H295 WeakPolarHBondContact CB-CE1 3.15Å; T246-H295 WeakPolarHBondContact CB-NE2 3.36Å
247	V	98.8	Very high	98.8	Very high	55 Å²	55	26.5 Å²	26.5	33%	0.333	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-48.2	175.8	179.4	0	0	0	0	110.7	A244 Y245 D291 H295	A244-V247 HydrophobicContact CB-CB 4.39Å; A244-V247 HydrophobicContact CB-CG2 4.04Å; A244-V247 PolarHBondContact O-N 3Å; Y245-V247 PolarHBondContact O-N 3.2Å; V247-D291 HydrophobicContact CG1-CB 4.34Å; V247-H295 HydrophobicContact CG2-CB 3.52Å
248	C	98.8	Very high	98.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.143	C	C	.	.	S	Bend	trans	-131.2	113.7	170.5	157.7	0	0	0	0	109.7	A244 Y245 H250 N253 Y277 V278 C280	A244-C248 PolarHBondContact O-N 3.35Å; Y245-C248 CarbonylContact C-O 3.31Å; Y245-C248 WeakPolarHBondContact CA-O 3.39Å; Y245-C248 CarbonylContact O-C 2.98Å; Y245-C248 PolarHBondContact O-N 3.05Å; C248-H250 PolarHBondContact O-N 3.29Å; C248-N253 PolarHBondContact O-ND2 3.07Å; C248-Y277 WeakPolarHBondContact CB-O 3.36Å; C248-Y277 PolarHBondContact SG-O 2.9Å; C248-Y277 VanDerWaalsContact SG-O 3.38Å; C248-V278 WeakPolarHBondContact CB-O 3.38Å; C248-C280 WeakPolarHBondContact CA-SG 3.31Å; C248-C280 HydrophobicContact CB-CB 4.09Å; C248-C280 WeakPolarHBondContact CB-SG 3.42Å; C248-C280 WeakPolarHBondContact SG-CA 3.24Å; C248-C280 WeakPolarHBondContact SG-CB 3.36Å; C248-C280 PolarHBondContact SG-N 3.44Å; C248-C280 CovalentContact SG-SG 2.05Å; C248-C280 PolarHBondContact SG-SG 3.09Å
249	P	98.5	Very high	98.8	Very high	84 Å²	84	26.3 Å²	26.3	55%	0.545	14%	0.142	S	C	.	.			trans	-76.1	50	-174.4	32.5	-38.3	0	0	0	113.4	Y245 C280	Y245-P249 HydrophobicContact CD1-CB 4.46Å; Y245-P249 HydrophobicContact CE1-CB 3.93Å; Y245-P249 VanDerWaalsContact CE2-C 3.43Å; Y245-P249 HydrophobicContact CE2-CB 4.16Å; Y245-P249 VanDerWaalsContact O-CA 3.23Å; Y245-P249 WeakPolarHBondContact O-CA 3.46Å; Y245-P249 VanDerWaalsContact O-N 3.11Å; P249-C280 VanDerWaalsContact CD-SG 3.5Å; P249-C280 VanDerWaalsContact N-SG 3.37Å
250	H	98.7	Very high	98.8	Very high	45 Å²	45	29 Å²	29	21%	0.208	16%	0.156	C	C	.	.			trans	-91.8	136.1	173.1	-171	-83.4	0	0	0	110.4	W184 Y245 C248 R252 N253 Y277	W184-H250 AromaticContact CH2-CE1 3.45Å; W184-H250 VanDerWaalsContact CH2-CE1 3.45Å; W184-H250 WeakPolarHBondContact CH2-CE1 3.41Å; W184-H250 AromaticContact CH2-NE2 3.82Å; W184-H250 AromaticContact CZ3-CE1 3.43Å; W184-H250 VanDerWaalsContact CZ3-CE1 3.43Å; W184-H250 WeakPolarHBondContact CZ3-CE1 3.48Å; W184-H250 AromaticContact CZ3-NE2 3.95Å; Y245-H250 VanDerWaalsContact CD2-O 3.29Å; Y245-H250 WeakPolarHBondContact CD2-O 3.41Å; C248-H250 PolarHBondContact O-N 3.29Å; H250-R252 WeakPolarHBondContact ND1-CB 3.23Å; H250-R252 PolarHBondContact ND1-N 3.14Å; H250-R252 VanDerWaalsContact ND1-N 3.11Å; H250-R252 PolarHBondContact O-N 3.27Å; H250-N253 VanDerWaalsContact O-CB 3.31Å; H250-N253 WeakPolarHBondContact O-CB 3.48Å; H250-N253 PolarHBondContact O-N 3.24Å; H250-Y277 HydrophobicContact CB-CD1 4.38Å; H250-Y277 AromaticContact CD2-CD1 3.89Å; H250-Y277 AromaticContact CD2-CE1 3.93Å; H250-Y277 AromaticContact CE1-CD1 3.53Å; H250-Y277 AromaticContact CE1-CE1 3.04Å; H250-Y277 WeakPolarHBondContact CE1-CE1 3.49Å; H250-Y277 AromaticContact CE1-CZ 3.73Å; H250-Y277 AromaticContact CG-CD1 3.61Å; H250-Y277 AromaticContact CG-CE1 3.93Å; H250-Y277 AromaticContact ND1-CD1 3.34Å; H250-Y277 VanDerWaalsContact ND1-CD1 3.34Å; H250-Y277 WeakPolarHBondContact ND1-CD1 3.27Å; H250-Y277 AromaticContact ND1-CE1 3.37Å; H250-Y277 WeakPolarHBondContact ND1-CE1 3.36Å; H250-Y277 AromaticContact NE2-CD1 3.87Å; H250-Y277 AromaticContact NE2-CE1 3.41Å; H250-Y277 WeakPolarHBondContact NE2-CE1 3.46Å
251	K	98.5	Very high	98.8	Very high	64 Å²	64	31.5 Å²	31.5	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.8	-174.9	-64.7	-56.7	-175.2	-171	0	115.7	W184 D187 T188 Y245	W184-K251 HydrophobicContact CE3-CB 3.57Å; W184-K251 HydrophobicContact CZ3-CB 3.91Å; D187-K251 HydrophobicContact CB-CB 4.29Å; D187-K251 HydrophobicContact CB-CD 3.76Å; D187-K251 HydrophobicContact CB-CG 3.98Å; D187-K251 VanDerWaalsContact O-CE 3.31Å; D187-K251 WeakPolarHBondContact O-CE 3.41Å; T188-K251 HydrophobicContact CG2-CB 3.75Å; T188-K251 HydrophobicContact CG2-CG 3.52Å; Y245-K251 HydrophobicContact CE2-CD 3.95Å; Y245-K251 PolarHBondContact OH-NZ 3.14Å
252	R	98.7	Very high	98.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.9	166.7	-74.1	-73.8	-65.4	96.8	0.9	113.6	W184 H220 H241 S242 H250 Y277	W184-R252 VanDerWaalsContact CD1-CD 3.5Å; W184-R252 HydrophobicContact CD2-CG 3.65Å; W184-R252 HydrophobicContact CE3-CG 3.88Å; W184-R252 VanDerWaalsContact CG-CD 3.46Å; W184-R252 HydrophobicContact CG-CG 4.11Å; W184-R252 HydrophobicContact CH2-CG 4.19Å; W184-R252 HydrophobicContact CZ2-CG 3.99Å; W184-R252 HydrophobicContact CZ3-CG 4.14Å; H220-R252 PolarHBondContact CD2-NE 3.37Å; H220-R252 PolarHBondContact CD2-NH2 2.9Å; H220-R252 PolarHBondContact CE1-NE 3.26Å; H220-R252 VanDerWaalsContact CE1-NE 3.25Å; H220-R252 VanDerWaalsContact N-CZ 3.27Å; H220-R252 PolarHBondContact ND1-NE 3.42Å; H220-R252 PolarHBondContact NE2-NE 3.22Å; H220-R252 VanDerWaalsContact NE2-NE 3.18Å; H220-R252 PolarHBondContact NE2-NH2 3.42Å; H241-R252 PolarHBondContact CD2-NH2 3.25Å; H241-R252 PolarHBondContact NE2-NH2 3.16Å; H241-R252 PolarHBondContact O-NH2 2.81Å; H241-R252 VanDerWaalsContact O-NH2 3.12Å; S242-R252 WeakPolarHBondContact CB-O 3.28Å; S242-R252 PolarHBondContact OG-NH1 2.6Å; S242-R252 PolarHBondContact OG-O 3.38Å; H250-R252 WeakPolarHBondContact ND1-CB 3.23Å; H250-R252 PolarHBondContact ND1-N 3.14Å; H250-R252 VanDerWaalsContact ND1-N 3.11Å; H250-R252 PolarHBondContact O-N 3.27Å; R252-Y277 HydrophobicContact CB-CD1 4.45Å; R252-Y277 HydrophobicContact CB-CD2 3.96Å; R252-Y277 HydrophobicContact CB-CE1 4.28Å; R252-Y277 HydrophobicContact CB-CE2 3.7Å; R252-Y277 HydrophobicContact CB-CG 4.35Å; R252-Y277 HydrophobicContact CG-CE1 4.23Å; R252-Y277 HydrophobicContact CG-CE2 3.76Å
253	N	98.9	Very high	98.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.18	C	C	.	.	S	Bend	trans	-91.6	155.1	179.9	-69.9	-15.9	0	0	0	111.8	S243 Y245 C248 H250 P255 Y277	S243-N253 WeakPolarHBondContact CB-OD1 3Å; S243-N253 PolarHBondContact N-OD1 3.41Å; S243-N253 CarbonylContact O-C 3.54Å; S243-N253 WeakPolarHBondContact O-CA 3.44Å; S243-N253 WeakPolarHBondContact O-CB 3.47Å; Y245-N253 HydrophobicContact CD2-CB 4.41Å; C248-N253 PolarHBondContact O-ND2 3.07Å; H250-N253 VanDerWaalsContact O-CB 3.31Å; H250-N253 WeakPolarHBondContact O-CB 3.48Å; H250-N253 PolarHBondContact O-N 3.24Å; N253-P255 WeakPolarHBondContact O-CD 3.43Å; N253-Y277 PolarHBondContact ND2-O 3.31Å
254	V	98.9	Very high	98.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-88.7	122.4	-172.5	-167	0	0	0	0	110.4	F239 S243 Y245 V258 L259 V269	F239-V254 HydrophobicContact CD1-CG2 3.7Å; F239-V254 HydrophobicContact CD2-CG2 4.27Å; F239-V254 HydrophobicContact CE1-CG1 4.38Å; F239-V254 HydrophobicContact CE1-CG2 3.78Å; F239-V254 HydrophobicContact CE2-CG1 4.23Å; F239-V254 HydrophobicContact CE2-CG2 4.34Å; F239-V254 HydrophobicContact CG-CG2 3.96Å; F239-V254 HydrophobicContact CZ-CG1 3.99Å; F239-V254 HydrophobicContact CZ-CG2 4.11Å; S243-V254 PolarHBondContact O-N 3.45Å; Y245-V254 VanDerWaalsContact CB-O 3.28Å; Y245-V254 WeakPolarHBondContact CB-O 3.26Å; Y245-V254 PolarHBondContact N-O 2.89Å; V254-V258 HydrophobicContact CG1-CB 3.72Å; V254-V258 HydrophobicContact CG1-CG1 3.55Å; V254-L259 HydrophobicContact CB-CD2 3.87Å; V254-L259 HydrophobicContact CB-CG 4.19Å; V254-L259 HydrophobicContact CG1-CD2 3.68Å; V254-L259 HydrophobicContact CG1-CG 3.88Å; V254-V269 HydrophobicContact CG2-CG2 4.05Å
255	P	98.9	Very high	98.7	Very high	17 Å²	17	43.9 Å²	43.9	11%	0.11	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.4	156.1	173.2	-24.5	37.4	0	0	0	114.1	V223 Y245 N253 D257 V258 L259	V223-P255 HydrophobicContact CG2-CG 3.66Å; Y245-P255 HydrophobicContact CG-CG 4.39Å; N253-P255 WeakPolarHBondContact O-CD 3.43Å; P255-D257 VanDerWaalsContact C-N 3.33Å; P255-D257 WeakPolarHBondContact CB-OD1 3.42Å; P255-D257 PolarHBondContact O-N 3.25Å; P255-V258 HydrophobicContact CB-CG2 4.49Å; P255-V258 WeakPolarHBondContact O-CB 3.39Å; P255-V258 PolarHBondContact O-N 3.06Å; P255-L259 PolarHBondContact O-N 2.75Å
256	D	98.9	Very high	98.7	Very high	50 Å²	50	41.7 Å²	41.7	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-35.5	-174.5	-68.8	-7.7	0	0	0	113.6	T246 V258 L259 D260 H295 V299	T246-D256 PolarHBondContact OG1-OD1 2.93Å; T246-D256 VanDerWaalsContact OG1-OD1 3.06Å; T246-D256 PolarHBondContact OG1-OD2 2.77Å; D256-V258 VanDerWaalsContact C-N 3.31Å; D256-V258 PolarHBondContact O-N 3.14Å; D256-L259 PolarHBondContact O-N 3.19Å; D256-D260 PolarHBondContact O-N 2.63Å; D256-H295 IonicContact OD1-CD2 3.66Å; D256-H295 IonicContact OD1-CE1 3.42Å; D256-H295 IonicContact OD1-NE2 2.76Å; D256-H295 PolarHBondContact OD1-NE2 3.15Å; D256-H295 IonicContact OD2-CE1 2.78Å; D256-H295 IonicContact OD2-NE2 2.87Å; D256-H295 PolarHBondContact OD2-NE2 2.77Å; D256-V299 HydrophobicContact CB-CG1 3.97Å; D256-V299 HydrophobicContact CB-CG2 4.34Å; D256-V299 WeakPolarHBondContact O-CG1 3.49Å
257	D	98.8	Very high	98.7	Very high	90 Å²	90	37.8 Å²	37.8	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-36.7	175.1	63.1	-52.6	0	0	0	111.7	P255 R261	P255-D257 VanDerWaalsContact C-N 3.33Å; P255-D257 WeakPolarHBondContact CB-OD1 3.42Å; P255-D257 PolarHBondContact O-N 3.25Å; D257-R261 WeakPolarHBondContact O-CG 3.47Å; D257-R261 PolarHBondContact O-N 3.19Å
258	V	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.7	-38.4	174.3	-179.3	0	0	0	0	111.1	V223 M226 L230 F239 V254 P255 D256 R261 L262	V223-V258 HydrophobicContact CG1-CG2 4.13Å; M226-V258 HydrophobicContact CB-CG1 3.95Å; M226-V258 HydrophobicContact CB-CG2 4.35Å; M226-V258 HydrophobicContact SD-CG1 4Å; M226-V258 HydrophobicContact SD-CG2 4.24Å; L230-V258 HydrophobicContact CD1-CG1 3.95Å; F239-V258 HydrophobicContact CE2-CG1 4.33Å; F239-V258 HydrophobicContact CZ-CG1 3.89Å; V254-V258 HydrophobicContact CG1-CB 3.72Å; V254-V258 HydrophobicContact CG1-CG1 3.55Å; P255-V258 HydrophobicContact CB-CG2 4.49Å; P255-V258 WeakPolarHBondContact O-CB 3.39Å; P255-V258 PolarHBondContact O-N 3.06Å; D256-V258 VanDerWaalsContact C-N 3.31Å; D256-V258 PolarHBondContact O-N 3.14Å; V258-R261 PolarHBondContact O-N 3.12Å; V258-L262 WeakPolarHBondContact O-CB 3.39Å; V258-L262 PolarHBondContact O-N 3.09Å
259	L	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-42.8	175.3	-69.2	176.8	0	0	0	112.4	V254 P255 D256 L262 N263 V269 I296 V299	V254-L259 HydrophobicContact CB-CD2 3.87Å; V254-L259 HydrophobicContact CB-CG 4.19Å; V254-L259 HydrophobicContact CG1-CD2 3.68Å; V254-L259 HydrophobicContact CG1-CG 3.88Å; P255-L259 PolarHBondContact O-N 2.75Å; D256-L259 PolarHBondContact O-N 3.19Å; L259-L262 WeakPolarHBondContact O-CB 3.44Å; L259-L262 PolarHBondContact O-N 2.79Å; L259-N263 PolarHBondContact O-N 3.2Å; L259-V269 HydrophobicContact CD2-CB 4.43Å; L259-V269 HydrophobicContact CD2-CG1 3.85Å; L259-I296 HydrophobicContact CD1-CG1 4Å; L259-I296 HydrophobicContact CD2-CG1 4.35Å; L259-I296 HydrophobicContact CD2-CG2 4.16Å; L259-V299 HydrophobicContact CB-CG1 3.87Å; L259-V299 HydrophobicContact CD1-CB 4.47Å; L259-V299 HydrophobicContact CD1-CG1 4.43Å
260	D	98.7	Very high	98.7	Very high	56 Å²	56	31.2 Å²	31.2	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-61.7	-43.4	174.7	169.7	68.1	0	0	0	111.6	D256 L262 N263 K264	D256-D260 PolarHBondContact O-N 2.63Å; D260-L262 PolarHBondContact O-N 2.95Å; D260-N263 WeakPolarHBondContact O-CB 3.33Å; D260-N263 PolarHBondContact O-N 2.86Å; D260-K264 WeakPolarHBondContact O-CG 3.5Å; D260-K264 PolarHBondContact O-N 3.06Å; D260-K264 VanDerWaalsContact O-N 3.1Å; D260-K264 VanDerWaalsContact OD1-CE 3.32Å; D260-K264 WeakPolarHBondContact OD1-CE 3.2Å; D260-K264 IonicContact OD1-NZ 3.21Å; D260-K264 PolarHBondContact OD1-NZ 2.95Å; D260-K264 VanDerWaalsContact OD2-CE 3.3Å; D260-K264 WeakPolarHBondContact OD2-CE 3.07Å; D260-K264 IonicContact OD2-NZ 3.83Å; D260-K264 PolarHBondContact OD2-NZ 3.28Å
261	R	98.7	Very high	98.7	Very high	53 Å²	53	29 Å²	29	20%	0.2	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-39.5	173.9	-71.7	-173.9	63.2	165.7	6.1	112.8	N227 L230 D231 D257 V258 N263 K264 T265	N227-R261 VanDerWaalsContact CB-NH1 3.31Å; N227-R261 PolarHBondContact O-NH1 3.13Å; N227-R261 VanDerWaalsContact O-NH1 3.13Å; N227-R261 PolarHBondContact O-NH2 2.99Å; N227-R261 WeakPolarHBondContact OD1-CD 3.37Å; N227-R261 PolarHBondContact OD1-NH1 2.75Å; L230-R261 VanDerWaalsContact C-NH2 3.32Å; L230-R261 VanDerWaalsContact CB-NH2 3.34Å; L230-R261 HydrophobicContact CD1-CB 3.9Å; D231-R261 IonicContact OD1-CZ 3.5Å; D231-R261 IonicContact OD1-NH1 3.2Å; D231-R261 IonicContact OD1-NH2 3.61Å; D231-R261 PolarHBondContact OD1-NH2 3.42Å; D231-R261 IonicContact OD2-NH1 3.63Å; D231-R261 IonicContact OD2-NH2 2.73Å; D257-R261 WeakPolarHBondContact O-CG 3.47Å; D257-R261 PolarHBondContact O-N 3.19Å; V258-R261 PolarHBondContact O-N 3.12Å; R261-N263 VanDerWaalsContact C-N 3.29Å; R261-N263 PolarHBondContact O-N 2.78Å; R261-K264 PolarHBondContact O-N 3.33Å; R261-T265 WeakPolarHBondContact O-CG2 3.27Å; R261-T265 PolarHBondContact O-N 3.31Å; R261-T265 PolarHBondContact O-OG1 3.46Å
262	L	98.7	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-39.8	176.9	-168.2	67.9	0	0	0	111	L230 V237 F239 V258 L259 D260 T265 G266 G267 V269	L230-L262 HydrophobicContact CD2-CD1 4.13Å; V237-L262 HydrophobicContact CG2-CD1 3.71Å; F239-L262 HydrophobicContact CD2-CD1 4.38Å; F239-L262 HydrophobicContact CD2-CD2 3.9Å; F239-L262 HydrophobicContact CE2-CD1 4.1Å; F239-L262 HydrophobicContact CE2-CD2 3.99Å; V258-L262 WeakPolarHBondContact O-CB 3.39Å; V258-L262 PolarHBondContact O-N 3.09Å; L259-L262 WeakPolarHBondContact O-CB 3.44Å; L259-L262 PolarHBondContact O-N 2.79Å; D260-L262 PolarHBondContact O-N 2.95Å; L262-T265 WeakPolarHBondContact CA-OG1 3.41Å; L262-T265 PolarHBondContact O-N 3.27Å; L262-T265 PolarHBondContact O-OG1 2.85Å; L262-G266 PolarHBondContact O-N 3.41Å; L262-G267 PolarHBondContact O-N 2.97Å; L262-V269 HydrophobicContact CD2-CB 3.93Å; L262-V269 HydrophobicContact CD2-CG1 4.17Å
263	N	98.3	Very high	98.8	Very high	56 Å²	56	25.9 Å²	25.9	30%	0.299	13%	0.134	S	C	.	.	H	α-helix	trans	-61.3	-44	173.3	-165.9	52.8	0	0	0	112.4	L259 D260 R261 G266 S301 I304	L259-N263 PolarHBondContact O-N 3.2Å; D260-N263 WeakPolarHBondContact O-CB 3.33Å; D260-N263 PolarHBondContact O-N 2.86Å; R261-N263 VanDerWaalsContact C-N 3.29Å; R261-N263 PolarHBondContact O-N 2.78Å; N263-G266 PolarHBondContact O-N 2.85Å; N263-S301 WeakPolarHBondContact OD1-CB 3.3Å; N263-S301 PolarHBondContact OD1-OG 3.27Å; N263-I304 HydrophobicContact CB-CD1 4.25Å; N263-I304 HydrophobicContact CB-CG2 4.1Å
264	K	98.4	Very high	98.8	Very high	151 Å²	151	27.3 Å²	27.3	66%	0.657	14%	0.139	S	C	*	.	H	α-helix	trans	-68.3	-34.2	178.7	-70.3	166.8	-179.3	167.2	0	113.6	D260 R261 G266	D260-K264 WeakPolarHBondContact O-CG 3.5Å; D260-K264 PolarHBondContact O-N 3.06Å; D260-K264 VanDerWaalsContact O-N 3.1Å; D260-K264 VanDerWaalsContact OD1-CE 3.32Å; D260-K264 WeakPolarHBondContact OD1-CE 3.2Å; D260-K264 IonicContact OD1-NZ 3.21Å; D260-K264 PolarHBondContact OD1-NZ 2.95Å; D260-K264 VanDerWaalsContact OD2-CE 3.3Å; D260-K264 WeakPolarHBondContact OD2-CE 3.07Å; D260-K264 IonicContact OD2-NZ 3.83Å; D260-K264 PolarHBondContact OD2-NZ 3.28Å; R261-K264 PolarHBondContact O-N 3.33Å; K264-G266 VanDerWaalsContact C-N 3.32Å
265	T	98.3	Very high	98.8	Very high	53 Å²	53	27.7 Å²	27.7	33%	0.325	14%	0.141	S	C	.	.	H	α-helix	trans	-87.6	-4.3	178.5	54.1	0	0	0	0	112.8	L230 R261 L262 G267	L230-T265 HydrophobicContact CD2-CG2 4.2Å; L230-T265 WeakPolarHBondContact CD2-OG1 3.12Å; R261-T265 WeakPolarHBondContact O-CG2 3.27Å; R261-T265 PolarHBondContact O-N 3.31Å; R261-T265 PolarHBondContact O-OG1 3.46Å; L262-T265 WeakPolarHBondContact CA-OG1 3.41Å; L262-T265 PolarHBondContact O-N 3.27Å; L262-T265 PolarHBondContact O-OG1 2.85Å; T265-G267 VanDerWaalsContact C-N 3.33Å; T265-G267 PolarHBondContact O-N 3.39Å
266	G	98.4	Very high	98.7	Very high	15 Å²	15	28.8 Å²	28.8	16%	0.155	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	21.5	177.8	0	0	0	0	0	114.1	P236 L262 N263 K264 R354 V355	P236-G266 WeakPolarHBondContact CB-O 3.48Å; L262-G266 PolarHBondContact O-N 3.41Å; N263-G266 PolarHBondContact O-N 2.85Å; K264-G266 VanDerWaalsContact C-N 3.32Å; G266-R354 VanDerWaalsContact O-CZ 3.27Å; G266-R354 PolarHBondContact O-NH1 2.94Å; G266-R354 PolarHBondContact O-NH2 2.75Å; G266-V355 WeakPolarHBondContact O-CG2 3.45Å
267	G	98.8	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.			trans	-73.2	-165.5	176	0	0	0	0	0	113.6	V237 L262 T265 I304 R354	V237-G267 CarbonylContact O-C 3.22Å; V237-G267 WeakPolarHBondContact O-CA 3.49Å; L262-G267 PolarHBondContact O-N 2.97Å; T265-G267 VanDerWaalsContact C-N 3.33Å; T265-G267 PolarHBondContact O-N 3.39Å; G267-I304 WeakPolarHBondContact O-CG2 3.21Å; G267-R354 PolarHBondContact O-NH2 2.89Å
268	I	98.9	Very high	98.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.5	178.5	-173	178.8	0	0	0	110.7	V237 I238 F239 M270 I304 N351 L352 V355	V237-I268 PolarHBondContact O-N 2.99Å; V237-I268 VanDerWaalsContact O-N 3.11Å; I238-I268 CarbonylContact C-O 3.47Å; I238-I268 VanDerWaalsContact CA-O 3.31Å; I238-I268 WeakPolarHBondContact CA-O 3.3Å; I238-I268 HydrophobicContact CB-CG2 3.93Å; I238-I268 HydrophobicContact CG2-CG2 3.58Å; F239-I268 PolarHBondContact N-O 2.92Å; I268-M270 HydrophobicContact CD1-CG 4.1Å; I268-M270 HydrophobicContact CG1-CG 4.15Å; I268-M270 HydrophobicContact CG2-CG 4.47Å; I268-I304 CarbonylContact C-O 3.47Å; I268-I304 WeakPolarHBondContact CA-O 3.19Å; I268-I304 WeakPolarHBondContact CG1-O 3.36Å; I268-N351 HydrophobicContact CD1-CB 3.69Å; I268-N351 HydrophobicContact CG1-CB 4.43Å; I268-L352 HydrophobicContact CD1-CB 4.11Å; I268-L352 HydrophobicContact CG2-CD1 4.45Å; I268-V355 HydrophobicContact CB-CG2 4.14Å; I268-V355 HydrophobicContact CG2-CB 4.41Å; I268-V355 HydrophobicContact CG2-CG1 4.43Å; I268-V355 HydrophobicContact CG2-CG2 3.95Å
269	V	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.6	167.5	52.9	0	0	0	0	108.8	F239 S242 V254 L259 L262 I296 I304 I305 G306	F239-V269 HydrophobicContact CB-CB 4.32Å; F239-V269 HydrophobicContact CB-CG2 4.12Å; F239-V269 HydrophobicContact CD2-CB 4.38Å; S242-V269 WeakPolarHBondContact O-CG2 3.48Å; V254-V269 HydrophobicContact CG2-CG2 4.05Å; L259-V269 HydrophobicContact CD2-CB 4.43Å; L259-V269 HydrophobicContact CD2-CG1 3.85Å; L262-V269 HydrophobicContact CD2-CB 3.93Å; L262-V269 HydrophobicContact CD2-CG1 4.17Å; V269-I296 HydrophobicContact CG1-CD1 3.9Å; V269-I296 HydrophobicContact CG1-CG1 4.37Å; V269-I296 HydrophobicContact CG1-CG2 3.59Å; V269-I296 HydrophobicContact CG2-CD1 4.31Å; V269-I304 VanDerWaalsContact CG1-O 3.32Å; V269-I304 WeakPolarHBondContact CG1-O 3.22Å; V269-I304 PolarHBondContact N-O 3.45Å; V269-I305 CarbonylContact O-C 3.46Å; V269-I305 WeakPolarHBondContact O-CA 3.48Å; V269-G306 PolarHBondContact O-N 3.47Å
270	M	98.9	Very high	98.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.9	-176.4	-53.7	176.1	75	0	0	107.2	F239 S240 H241 S242 I268 N272 G306 F307 L352	F239-M270 VanDerWaalsContact O-CB 3.23Å; F239-M270 WeakPolarHBondContact O-CB 3.15Å; F239-M270 WeakPolarHBondContact O-CG 3.28Å; F239-M270 PolarHBondContact O-N 3.15Å; S240-M270 WeakPolarHBondContact O-CB 3.25Å; H241-M270 CarbonylContact C-O 3.55Å; H241-M270 VanDerWaalsContact CA-O 3.25Å; H241-M270 WeakPolarHBondContact CA-O 3.37Å; S242-M270 PolarHBondContact N-O 2.98Å; I268-M270 HydrophobicContact CD1-CG 4.1Å; I268-M270 HydrophobicContact CG1-CG 4.15Å; I268-M270 HydrophobicContact CG2-CG 4.47Å; M270-N272 PolarHBondContact O-N 3.47Å; M270-G306 CarbonylContact C-O 3.57Å; M270-G306 WeakPolarHBondContact CA-O 3.47Å; M270-F307 VanDerWaalsContact CE-O 3.23Å; M270-F307 WeakPolarHBondContact CE-O 3.5Å; M270-L352 HydrophobicContact CE-CD1 4.37Å; M270-L352 HydrophobicContact CE-CD2 3.72Å; M270-L352 HydrophobicContact SD-CD1 4.13Å; M270-L352 HydrophobicContact SD-CD2 4.5Å
271	V	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.5	-163	-179.7	0	0	0	0	110.9	S242 F273 V289 H292 F293 I296 I305 G306 G308	S242-V271 WeakPolarHBondContact O-CA 3.42Å; V271-F273 WeakPolarHBondContact O-CE1 3.28Å; V271-V289 HydrophobicContact CG1-CG1 4.26Å; V271-H292 HydrophobicContact CG1-CB 4.02Å; V271-F293 HydrophobicContact CB-CD2 4.08Å; V271-F293 HydrophobicContact CB-CE2 3.44Å; V271-F293 VanDerWaalsContact CB-CE2 3.44Å; V271-F293 HydrophobicContact CB-CZ 3.82Å; V271-F293 HydrophobicContact CG1-CD2 4.02Å; V271-F293 HydrophobicContact CG1-CE2 3.66Å; V271-F293 HydrophobicContact CG2-CD2 3.85Å; V271-F293 HydrophobicContact CG2-CE1 4.34Å; V271-F293 HydrophobicContact CG2-CE2 3.62Å; V271-F293 HydrophobicContact CG2-CG 4.31Å; V271-F293 HydrophobicContact CG2-CZ 3.86Å; V271-I296 HydrophobicContact CG2-CD1 3.77Å; V271-I305 HydrophobicContact CG2-CG2 4.37Å; V271-G306 PolarHBondContact N-O 3.28Å; V271-G308 CarbonylContact O-C 3.43Å; V271-G308 PolarHBondContact O-N 3.13Å; V271-G308 VanDerWaalsContact O-O 3.12Å
272	N	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.			trans	-84.9	142.6	178.3	-171.2	-47.6	0	0	0	111	H241 S243 M270 Y274 V278 G308 D310	H241-N272 HydrophobicContact CB-CB 4.25Å; H241-N272 PolarHBondContact CD2-ND2 2.82Å; H241-N272 PolarHBondContact O-ND2 2.71Å; S243-N272 WeakPolarHBondContact OG-CB 3.38Å; S243-N272 PolarHBondContact OG-N 3.46Å; S243-N272 PolarHBondContact OG-O 2.8Å; M270-N272 PolarHBondContact O-N 3.47Å; N272-Y274 WeakPolarHBondContact OD1-CB 3.48Å; N272-Y274 PolarHBondContact OD1-N 2.99Å; N272-V278 WeakPolarHBondContact O-CG2 3.14Å; N272-G308 VanDerWaalsContact CA-O 3.3Å; N272-G308 WeakPolarHBondContact CA-O 3.16Å; N272-D310 WeakPolarHBondContact ND2-CB 3.39Å; N272-D310 PolarHBondContact ND2-OD2 3.05Å
273	F	98.9	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.			trans	-101.4	0.3	-177.4	-56.1	-16.5	0	0	0	114	V271 N275 V289 F293 F307 G309 Y311 P318 L321 Y327 L330	V271-F273 WeakPolarHBondContact O-CE1 3.28Å; F273-N275 PolarHBondContact O-N 3.37Å; F273-V289 HydrophobicContact CD1-CG1 3.58Å; F273-V289 HydrophobicContact CD1-CG2 4.26Å; F273-V289 HydrophobicContact CE1-CG1 3.59Å; F273-F293 HydrophobicContact CE1-CE2 4.41Å; F273-F307 HydrophobicContact CZ-CD1 4.11Å; F273-G309 WeakPolarHBondContact CB-O 3.36Å; F273-G309 PolarHBondContact N-O 3.3Å; F273-Y311 AromaticContact CD2-CE2 3.79Å; F273-Y311 HydrophobicContact CD2-CE2 3.79Å; F273-Y311 AromaticContact CD2-CZ 3.83Å; F273-Y311 AromaticContact CE2-CE2 3.9Å; F273-Y311 HydrophobicContact CE2-CE2 3.9Å; F273-P318 HydrophobicContact CB-CG 4.28Å; F273-P318 WeakPolarHBondContact O-CD 3.29Å; F273-P318 WeakPolarHBondContact O-CG 3.19Å; F273-L321 HydrophobicContact CD2-CD1 4.26Å; F273-L321 HydrophobicContact CE2-CD1 4.47Å; F273-L321 HydrophobicContact CE2-CD2 4.43Å; F273-L321 HydrophobicContact CG-CD1 4.33Å; F273-Y327 HydrophobicContact CE2-CD1 4.19Å; F273-Y327 AromaticContact CE2-CE1 3.66Å; F273-Y327 HydrophobicContact CE2-CE1 3.66Å; F273-Y327 HydrophobicContact CZ-CD1 4.35Å; F273-Y327 AromaticContact CZ-CE1 3.94Å; F273-Y327 HydrophobicContact CZ-CE1 3.94Å; F273-L330 HydrophobicContact CE1-CD2 3.92Å; F273-L330 HydrophobicContact CE2-CD2 4.46Å; F273-L330 HydrophobicContact CZ-CD2 3.64Å
274	Y	98.9	Very high	98.6	Very high	30 Å²	30	32.3 Å²	32.3	12%	0.118	19%	0.186	C	C	.	.			trans	-59.4	122.5	179.4	-173.3	-156.4	0	0	0	111.7	N272 D276 Y277 V278 V314 P315 R316	N272-Y274 WeakPolarHBondContact OD1-CB 3.48Å; N272-Y274 PolarHBondContact OD1-N 2.99Å; Y274-D276 HydrophobicContact CD1-CB 4.11Å; Y274-D276 HydrophobicContact CD2-CB 4.5Å; Y274-D276 HydrophobicContact CE1-CB 3.73Å; Y274-D276 HydrophobicContact CE2-CB 4.16Å; Y274-D276 VanDerWaalsContact CE2-OD2 3.25Å; Y274-D276 WeakPolarHBondContact CE2-OD2 3.43Å; Y274-D276 HydrophobicContact CG-CB 4.49Å; Y274-D276 PolarHBondContact O-N 3.08Å; Y274-D276 VanDerWaalsContact O-N 3.1Å; Y274-Y277 AromaticContact CD1-CD1 3.75Å; Y274-Y277 HydrophobicContact CD1-CD1 3.75Å; Y274-Y277 AromaticContact CD1-CD2 3.77Å; Y274-Y277 HydrophobicContact CD1-CD2 3.77Å; Y274-Y277 AromaticContact CD1-CE1 3.6Å; Y274-Y277 HydrophobicContact CD1-CE1 3.6Å; Y274-Y277 AromaticContact CD1-CE2 3.68Å; Y274-Y277 HydrophobicContact CD1-CE2 3.68Å; Y274-Y277 AromaticContact CD1-CG 3.8Å; Y274-Y277 HydrophobicContact CD1-CG 3.8Å; Y274-Y277 AromaticContact CD1-CZ 3.57Å; Y274-Y277 HydrophobicContact CE1-CD1 4.22Å; Y274-Y277 AromaticContact CE1-CE1 3.74Å; Y274-Y277 HydrophobicContact CE1-CE1 3.74Å; Y274-Y277 HydrophobicContact CE1-CE2 4.4Å; Y274-Y277 AromaticContact CE1-CZ 3.85Å; Y274-Y277 HydrophobicContact CG-CD2 4.45Å; Y274-Y277 HydrophobicContact CG-CG 4.44Å; Y274-Y277 CarbonylContact O-C 3.51Å; Y274-Y277 WeakPolarHBondContact O-CA 3.31Å; Y274-Y277 PolarHBondContact O-N 3.03Å; Y274-V278 WeakPolarHBondContact O-CG2 3.29Å; Y274-V278 PolarHBondContact O-N 2.66Å; Y274-V314 HydrophobicContact CD1-CG1 3.99Å; Y274-V314 HydrophobicContact CD2-CB 3.66Å; Y274-V314 HydrophobicContact CD2-CG1 3.98Å; Y274-V314 HydrophobicContact CD2-CG2 4.13Å; Y274-V314 HydrophobicContact CE2-CB 4.17Å; Y274-V314 HydrophobicContact CG-CB 3.86Å; Y274-V314 HydrophobicContact CG-CG1 3.62Å; Y274-V314 HydrophobicContact CG-CG2 4.41Å; Y274-P315 HydrophobicContact CE2-CG 3.97Å; Y274-R316 HydrophobicContact CD2-CB 4.49Å; Y274-R316 WeakPolarHBondContact CD2-O 3.28Å; Y274-R316 HydrophobicContact CE2-CB 4.25Å; Y274-R316 PolarHBondContact OH-NH2 3.31Å
275	N	98.8	Very high	98.6	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-49	-45.3	-175.7	-63.2	8.2	0	0	0	112.9	F273 Y277 V278 T279 S281 T282 A284 R316 V317 P318	F273-N275 PolarHBondContact O-N 3.37Å; N275-Y277 PolarHBondContact O-N 2.95Å; N275-Y277 VanDerWaalsContact O-N 3.16Å; N275-V278 PolarHBondContact O-N 3.29Å; N275-T279 PolarHBondContact O-N 3.47Å; N275-T279 PolarHBondContact O-OG1 2.77Å; N275-S281 CarbonylContact C-O 3.13Å; N275-S281 WeakPolarHBondContact CB-O 3.12Å; N275-T282 PolarHBondContact ND2-O 3.49Å; N275-A284 HydrophobicContact CB-CB 3.97Å; N275-R316 HydrophobicContact CB-CB 4.37Å; N275-V317 PolarHBondContact ND2-O 2.8Å; N275-V317 VanDerWaalsContact OD1-CA 3.27Å; N275-V317 WeakPolarHBondContact OD1-CA 3.32Å; N275-V317 PolarHBondContact OD1-O 3.1Å; N275-V317 VanDerWaalsContact OD1-O 3.13Å; N275-P318 WeakPolarHBondContact OD1-CA 3.4Å
276	D	98.6	Very high	98.6	Very high	39 Å²	39	26.4 Å²	26.4	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-19.4	-178.6	-60	-133.7	0	0	0	112.8	Y274 C280 S281 R316	Y274-D276 HydrophobicContact CD1-CB 4.11Å; Y274-D276 HydrophobicContact CD2-CB 4.5Å; Y274-D276 HydrophobicContact CE1-CB 3.73Å; Y274-D276 HydrophobicContact CE2-CB 4.16Å; Y274-D276 VanDerWaalsContact CE2-OD2 3.25Å; Y274-D276 WeakPolarHBondContact CE2-OD2 3.43Å; Y274-D276 HydrophobicContact CG-CB 4.49Å; Y274-D276 PolarHBondContact O-N 3.08Å; Y274-D276 VanDerWaalsContact O-N 3.1Å; D276-C280 WeakPolarHBondContact O-CA 3.22Å; D276-S281 WeakPolarHBondContact CA-O 3.4Å; D276-S281 PolarHBondContact N-O 3Å; D276-R316 IonicContact OD1-CZ 3.44Å; D276-R316 IonicContact OD1-NH2 2.63Å; D276-R316 PolarHBondContact OD1-NH2 3.38Å; D276-R316 IonicContact OD2-CZ 3.72Å; D276-R316 VanDerWaalsContact OD2-CZ 3.3Å; D276-R316 IonicContact OD2-NE 3.54Å; D276-R316 PolarHBondContact OD2-NE 2.92Å; D276-R316 IonicContact OD2-NH2 3.71Å; D276-R316 PolarHBondContact OD2-NH2 3.16Å
277	Y	98.6	Very high	98.7	Very high	26 Å²	26	27.9 Å²	27.9	10%	0.102	17%	0.167	C	C	.	.	H	α-helix	trans	-100.7	-16.2	174.9	-59.1	-6.2	0	0	0	112.1	C248 H250 R252 N253 Y274 N275	C248-Y277 WeakPolarHBondContact CB-O 3.36Å; C248-Y277 PolarHBondContact SG-O 2.9Å; C248-Y277 VanDerWaalsContact SG-O 3.38Å; H250-Y277 HydrophobicContact CB-CD1 4.38Å; H250-Y277 AromaticContact CD2-CD1 3.89Å; H250-Y277 AromaticContact CD2-CE1 3.93Å; H250-Y277 AromaticContact CE1-CD1 3.53Å; H250-Y277 AromaticContact CE1-CE1 3.04Å; H250-Y277 WeakPolarHBondContact CE1-CE1 3.49Å; H250-Y277 AromaticContact CE1-CZ 3.73Å; H250-Y277 AromaticContact CG-CD1 3.61Å; H250-Y277 AromaticContact CG-CE1 3.93Å; H250-Y277 AromaticContact ND1-CD1 3.34Å; H250-Y277 VanDerWaalsContact ND1-CD1 3.34Å; H250-Y277 WeakPolarHBondContact ND1-CD1 3.27Å; H250-Y277 AromaticContact ND1-CE1 3.37Å; H250-Y277 WeakPolarHBondContact ND1-CE1 3.36Å; H250-Y277 AromaticContact NE2-CD1 3.87Å; H250-Y277 AromaticContact NE2-CE1 3.41Å; H250-Y277 WeakPolarHBondContact NE2-CE1 3.46Å; R252-Y277 HydrophobicContact CB-CD1 4.45Å; R252-Y277 HydrophobicContact CB-CD2 3.96Å; R252-Y277 HydrophobicContact CB-CE1 4.28Å; R252-Y277 HydrophobicContact CB-CE2 3.7Å; R252-Y277 HydrophobicContact CB-CG 4.35Å; R252-Y277 HydrophobicContact CG-CE1 4.23Å; R252-Y277 HydrophobicContact CG-CE2 3.76Å; N253-Y277 PolarHBondContact ND2-O 3.31Å; Y274-Y277 AromaticContact CD1-CD1 3.75Å; Y274-Y277 HydrophobicContact CD1-CD1 3.75Å; Y274-Y277 AromaticContact CD1-CD2 3.77Å; Y274-Y277 HydrophobicContact CD1-CD2 3.77Å; Y274-Y277 AromaticContact CD1-CE1 3.6Å; Y274-Y277 HydrophobicContact CD1-CE1 3.6Å; Y274-Y277 AromaticContact CD1-CE2 3.68Å; Y274-Y277 HydrophobicContact CD1-CE2 3.68Å; Y274-Y277 AromaticContact CD1-CG 3.8Å; Y274-Y277 HydrophobicContact CD1-CG 3.8Å; Y274-Y277 AromaticContact CD1-CZ 3.57Å; Y274-Y277 HydrophobicContact CE1-CD1 4.22Å; Y274-Y277 AromaticContact CE1-CE1 3.74Å; Y274-Y277 HydrophobicContact CE1-CE1 3.74Å; Y274-Y277 HydrophobicContact CE1-CE2 4.4Å; Y274-Y277 AromaticContact CE1-CZ 3.85Å; Y274-Y277 HydrophobicContact CG-CD2 4.45Å; Y274-Y277 HydrophobicContact CG-CG 4.44Å; Y274-Y277 CarbonylContact O-C 3.51Å; Y274-Y277 WeakPolarHBondContact O-CA 3.31Å; Y274-Y277 PolarHBondContact O-N 3.03Å; N275-Y277 PolarHBondContact O-N 2.95Å; N275-Y277 VanDerWaalsContact O-N 3.16Å
278	V	98.6	Very high	98.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-88	-54.9	177.6	175.9	0	0	0	0	110.8	C248 N272 Y274 N275 A284 D288 V289 H292	C248-V278 WeakPolarHBondContact CB-O 3.38Å; N272-V278 WeakPolarHBondContact O-CG2 3.14Å; Y274-V278 WeakPolarHBondContact O-CG2 3.29Å; Y274-V278 PolarHBondContact O-N 2.66Å; N275-V278 PolarHBondContact O-N 3.29Å; V278-A284 HydrophobicContact CB-CB 4.18Å; V278-A284 HydrophobicContact CG1-CB 4.02Å; V278-D288 HydrophobicContact CG1-CB 3.6Å; V278-V289 HydrophobicContact CG1-CG2 3.91Å; V278-V289 HydrophobicContact CG2-CG2 3.9Å; V278-H292 VanDerWaalsContact CA-NE2 3.28Å; V278-H292 WeakPolarHBondContact CA-NE2 3.49Å; V278-H292 PolarHBondContact O-NE2 3.38Å
279	T	98.6	Very high	98.7	Very high	45 Å²	45	29.6 Å²	29.6	28%	0.276	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	2.6	-176.1	57	0	0	0	0	113.5	N275 S281 T283 A284 D288	N275-T279 PolarHBondContact O-N 3.47Å; N275-T279 PolarHBondContact O-OG1 2.77Å; T279-S281 PolarHBondContact O-N 3.34Å; T279-S281 VanDerWaalsContact O-N 3.15Å; T279-T283 PolarHBondContact OG1-O 3.18Å; T279-A284 HydrophobicContact CG2-CB 3.62Å; T279-D288 HydrophobicContact CG2-CB 3.66Å; T279-D288 VanDerWaalsContact CG2-OD2 3.31Å; T279-D288 WeakPolarHBondContact CG2-OD2 3.46Å
280	C	98.3	Very high	98.7	Very high	65 Å²	65	29.6 Å²	29.6	44%	0.439	18%	0.176	S	C	.	.	S	Bend	trans	56	28.4	-171.8	-77.3	0	0	0	0	111.9	C248 P249 D276	C248-C280 WeakPolarHBondContact CA-SG 3.31Å; C248-C280 HydrophobicContact CB-CB 4.09Å; C248-C280 WeakPolarHBondContact CB-SG 3.42Å; C248-C280 WeakPolarHBondContact SG-CA 3.24Å; C248-C280 WeakPolarHBondContact SG-CB 3.36Å; C248-C280 PolarHBondContact SG-N 3.44Å; C248-C280 CovalentContact SG-SG 2.05Å; C248-C280 PolarHBondContact SG-SG 3.09Å; P249-C280 VanDerWaalsContact CD-SG 3.5Å; P249-C280 VanDerWaalsContact N-SG 3.37Å; D276-C280 WeakPolarHBondContact O-CA 3.22Å
281	S	97.7	Very high	98.7	Very high	52 Å²	52	32.8 Å²	32.8	36%	0.364	19%	0.193	S	C	.	.	S	Bend	trans	-143.5	166.6	-177.1	-179.5	0	0	0	0	109.7	N275 D276 T279 T283	N275-S281 CarbonylContact C-O 3.13Å; N275-S281 WeakPolarHBondContact CB-O 3.12Å; D276-S281 WeakPolarHBondContact CA-O 3.4Å; D276-S281 PolarHBondContact N-O 3Å; T279-S281 PolarHBondContact O-N 3.34Å; T279-S281 VanDerWaalsContact O-N 3.15Å; S281-T283 PolarHBondContact O-N 3.16Å
282	T	97.9	Very high	98.7	Very high	83 Å²	83	32.8 Å²	32.8	51%	0.509	19%	0.193	S	C	.	.	S	Bend	trans	-72.6	-12.3	176.7	54.8	0	0	0	0	113.4	N275 R316	N275-T282 PolarHBondContact ND2-O 3.49Å; T282-R316 WeakPolarHBondContact O-CD 3.4Å
283	T	98.4	Very high	98.7	Very high	97 Å²	97	32.8 Å²	32.8	60%	0.595	19%	0.193	S	C	*	.			trans	-120.1	131.6	-178.4	55.8	0	0	0	0	110.5	T279 S281	T279-T283 PolarHBondContact OG1-O 3.18Å; S281-T283 PolarHBondContact O-N 3.16Å
284	A	98.8	Very high	98.7	Very high	10 Å²	10	35.2 Å²	35.2	8%	0.083	21%	0.206	C	C	.	.			trans	-144.4	163	172.5	0	0	0	0	0	108.7	N275 V278 T279 D288 P318 E319	N275-A284 HydrophobicContact CB-CB 3.97Å; V278-A284 HydrophobicContact CB-CB 4.18Å; V278-A284 HydrophobicContact CG1-CB 4.02Å; T279-A284 HydrophobicContact CG2-CB 3.62Å; A284-D288 WeakPolarHBondContact CA-OD2 3.33Å; A284-P318 HydrophobicContact CB-CB 3.94Å; A284-P318 HydrophobicContact CB-CG 4.16Å; A284-P318 CarbonylContact O-C 3.54Å; A284-P318 VanDerWaalsContact O-CA 3.28Å; A284-P318 WeakPolarHBondContact O-CA 3.5Å; A284-E319 PolarHBondContact O-N 3.24Å
285	N	98.8	Very high	98.7	Very high	58 Å²	58	35.1 Å²	35.1	31%	0.31	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-128.8	171.2	169.5	69.6	71.4	0	0	0	110.9	S287 D288 V289 E319	N285-S287 VanDerWaalsContact C-N 3.26Å; N285-S287 PolarHBondContact O-N 3.44Å; N285-S287 WeakPolarHBondContact OD1-CA 3.28Å; N285-S287 WeakPolarHBondContact OD1-CB 3.41Å; N285-S287 PolarHBondContact OD1-N 3.21Å; N285-D288 PolarHBondContact N-OD2 2.86Å; N285-D288 PolarHBondContact ND2-OD1 2.65Å; N285-D288 PolarHBondContact ND2-OD2 3.38Å; N285-D288 WeakPolarHBondContact O-CB 3.15Å; N285-D288 PolarHBondContact O-N 3.23Å; N285-D288 PolarHBondContact OD1-N 2.92Å; N285-V289 PolarHBondContact O-N 2.93Å; N285-E319 CarbonylContact C-O 3.54Å; N285-E319 VanDerWaalsContact CA-O 3.31Å; N285-E319 WeakPolarHBondContact CA-O 3.23Å; N285-E319 HydrophobicContact CB-CB 4.13Å
286	L	98.8	Very high	98.7	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-55.8	-36.8	-178.5	-178.3	160.8	0	0	0	113.6	D288 V289 A290 E319 L321 D329 L330 E333	L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 3.04Å; L286-V289 WeakPolarHBondContact O-CB 3.33Å; L286-V289 PolarHBondContact O-N 3.45Å; L286-A290 PolarHBondContact O-N 3.42Å; L286-A290 VanDerWaalsContact O-N 3.1Å; L286-E319 PolarHBondContact N-O 2.85Å; L286-L321 HydrophobicContact CB-CD1 4.25Å; L286-L321 HydrophobicContact CB-CG 4.08Å; L286-L321 HydrophobicContact CD1-CD2 4.21Å; L286-L321 HydrophobicContact CD1-CG 4.09Å; L286-L321 HydrophobicContact CG-CD1 4.2Å; L286-L321 HydrophobicContact CG-CD2 4.46Å; L286-L321 HydrophobicContact CG-CG 4.01Å; L286-D329 HydrophobicContact CD1-CB 3.69Å; L286-L330 HydrophobicContact CD1-CB 4.29Å; L286-L330 HydrophobicContact CD2-CB 4.49Å; L286-L330 HydrophobicContact CD2-CD1 3.93Å; L286-L330 HydrophobicContact CG-CB 4.24Å; L286-L330 HydrophobicContact CG-CD1 4.1Å; L286-E333 HydrophobicContact CD2-CB 3.39Å; L286-E333 HydrophobicContact CD2-CG 3.63Å
287	S	98.8	Very high	98.7	Very high	45 Å²	45	35.3 Å²	35.3	32%	0.315	21%	0.205	S	C	.	.	H	α-helix	trans	-63	-38.5	176.1	-173.1	0	0	0	0	111.3	N285 V289 A290 D291 R337	N285-S287 VanDerWaalsContact C-N 3.26Å; N285-S287 PolarHBondContact O-N 3.44Å; N285-S287 WeakPolarHBondContact OD1-CA 3.28Å; N285-S287 WeakPolarHBondContact OD1-CB 3.41Å; N285-S287 PolarHBondContact OD1-N 3.21Å; S287-V289 VanDerWaalsContact C-N 3.28Å; S287-V289 PolarHBondContact O-N 2.98Å; S287-A290 PolarHBondContact O-N 3.1Å; S287-A290 VanDerWaalsContact O-N 3.14Å; S287-D291 PolarHBondContact O-N 2.87Å; S287-R337 PolarHBondContact O-NH2 3.16Å; S287-R337 PolarHBondContact OG-NH2 2.86Å
288	D	98.9	Very high	98.7	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-35.7	177.3	-52.1	-37.8	0	0	0	111	V278 T279 A284 N285 L286 D291 H292	V278-D288 HydrophobicContact CG1-CB 3.6Å; T279-D288 HydrophobicContact CG2-CB 3.66Å; T279-D288 VanDerWaalsContact CG2-OD2 3.31Å; T279-D288 WeakPolarHBondContact CG2-OD2 3.46Å; A284-D288 WeakPolarHBondContact CA-OD2 3.33Å; N285-D288 PolarHBondContact N-OD2 2.86Å; N285-D288 PolarHBondContact ND2-OD1 2.65Å; N285-D288 PolarHBondContact ND2-OD2 3.38Å; N285-D288 WeakPolarHBondContact O-CB 3.15Å; N285-D288 PolarHBondContact O-N 3.23Å; N285-D288 PolarHBondContact OD1-N 2.92Å; L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 3.04Å; D288-D291 WeakPolarHBondContact O-CB 3.4Å; D288-D291 PolarHBondContact O-N 2.75Å; D288-H292 PolarHBondContact O-CD2 3.05Å
289	V	98.9	Very high	98.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-44.9	173	176	0	0	0	0	110.9	V271 F273 V278 N285 L286 S287 D291 H292 F293 P318 L321 L330	V271-V289 HydrophobicContact CG1-CG1 4.26Å; F273-V289 HydrophobicContact CD1-CG1 3.58Å; F273-V289 HydrophobicContact CD1-CG2 4.26Å; F273-V289 HydrophobicContact CE1-CG1 3.59Å; V278-V289 HydrophobicContact CG1-CG2 3.91Å; V278-V289 HydrophobicContact CG2-CG2 3.9Å; N285-V289 PolarHBondContact O-N 2.93Å; L286-V289 WeakPolarHBondContact O-CB 3.33Å; L286-V289 PolarHBondContact O-N 3.45Å; S287-V289 VanDerWaalsContact C-N 3.28Å; S287-V289 PolarHBondContact O-N 2.98Å; V289-D291 PolarHBondContact O-N 3.11Å; V289-H292 WeakPolarHBondContact O-CB 3.44Å; V289-H292 PolarHBondContact O-N 3.42Å; V289-F293 HydrophobicContact CG1-CD2 4.24Å; V289-F293 HydrophobicContact CG1-CE2 3.94Å; V289-F293 WeakPolarHBondContact O-CD2 3.33Å; V289-F293 PolarHBondContact O-N 2.93Å; V289-P318 HydrophobicContact CG2-CB 4.32Å; V289-P318 HydrophobicContact CG2-CG 3.68Å; V289-L321 HydrophobicContact CB-CD1 3.98Å; V289-L321 HydrophobicContact CG1-CD1 4.21Å; V289-L321 HydrophobicContact CG2-CD1 3.65Å; V289-L330 HydrophobicContact CB-CD1 4.42Å; V289-L330 HydrophobicContact CG1-CD1 4.18Å; V289-L330 HydrophobicContact CG1-CD2 3.86Å
290	A	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-27.4	177.4	0	0	0	0	0	112.7	L286 S287 H292 F293 D294 L330 E333 L334 R337	L286-A290 PolarHBondContact O-N 3.42Å; L286-A290 VanDerWaalsContact O-N 3.1Å; S287-A290 PolarHBondContact O-N 3.1Å; S287-A290 VanDerWaalsContact O-N 3.14Å; A290-H292 VanDerWaalsContact C-N 3.29Å; A290-H292 PolarHBondContact O-N 3.16Å; A290-F293 WeakPolarHBondContact O-CB 3.38Å; A290-F293 PolarHBondContact O-N 3.31Å; A290-D294 PolarHBondContact O-N 3.12Å; A290-L330 HydrophobicContact CB-CD1 4.05Å; A290-E333 HydrophobicContact CB-CG 3.81Å; A290-L334 HydrophobicContact CB-CD2 4.09Å; A290-R337 VanDerWaalsContact C-NH1 3.29Å; A290-R337 PolarHBondContact O-NH1 3Å
291	D	98.9	Very high	98.6	Very high	67 Å²	67	41.7 Å²	41.7	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-34.5	172.8	-65.8	-10.7	0	0	0	112.3	V247 S287 D288 V289 H295 R337	V247-D291 HydrophobicContact CG1-CB 4.34Å; S287-D291 PolarHBondContact O-N 2.87Å; D288-D291 WeakPolarHBondContact O-CB 3.4Å; D288-D291 PolarHBondContact O-N 2.75Å; V289-D291 PolarHBondContact O-N 3.11Å; D291-H295 WeakPolarHBondContact O-CB 3.19Å; D291-H295 PolarHBondContact O-N 3.09Å; D291-R337 IonicContact OD1-CZ 2.91Å; D291-R337 VanDerWaalsContact OD1-CZ 3.26Å; D291-R337 IonicContact OD1-NH1 2.76Å; D291-R337 PolarHBondContact OD1-NH1 3Å; D291-R337 IonicContact OD1-NH2 3.79Å; D291-R337 PolarHBondContact OD1-NH2 3.43Å
292	H	98.9	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-40.8	173	-71.7	-88.8	0	0	0	112.4	S243 A244 V271 V278 D288 V289 A290 H295 I296	S243-H292 WeakPolarHBondContact CB-ND1 3.31Å; A244-H292 HydrophobicContact CB-CB 4.37Å; A244-H292 WeakPolarHBondContact CB-ND1 3.32Å; A244-H292 PolarHBondContact N-ND1 2.63Å; A244-H292 PolarHBondContact O-CE1 3.33Å; A244-H292 VanDerWaalsContact O-CE1 3.28Å; A244-H292 PolarHBondContact O-ND1 3.05Å; V271-H292 HydrophobicContact CG1-CB 4.02Å; V278-H292 VanDerWaalsContact CA-NE2 3.28Å; V278-H292 WeakPolarHBondContact CA-NE2 3.49Å; V278-H292 PolarHBondContact O-NE2 3.38Å; D288-H292 PolarHBondContact O-CD2 3.05Å; V289-H292 WeakPolarHBondContact O-CB 3.44Å; V289-H292 PolarHBondContact O-N 3.42Å; A290-H292 VanDerWaalsContact C-N 3.29Å; A290-H292 PolarHBondContact O-N 3.16Å; H292-H295 PolarHBondContact O-N 3.12Å; H292-I296 WeakPolarHBondContact O-CD1 3.34Å; H292-I296 WeakPolarHBondContact O-CG1 3.37Å; H292-I296 PolarHBondContact O-N 3.03Å
293	F	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-49.2	174.5	-81.7	-106.4	0	0	0	110.4	V271 F273 V289 A290 H295 I296 K297 I305 F307 L330 L334 W339	V271-F293 HydrophobicContact CB-CD2 4.08Å; V271-F293 HydrophobicContact CB-CE2 3.44Å; V271-F293 VanDerWaalsContact CB-CE2 3.44Å; V271-F293 HydrophobicContact CB-CZ 3.82Å; V271-F293 HydrophobicContact CG1-CD2 4.02Å; V271-F293 HydrophobicContact CG1-CE2 3.66Å; V271-F293 HydrophobicContact CG2-CD2 3.85Å; V271-F293 HydrophobicContact CG2-CE1 4.34Å; V271-F293 HydrophobicContact CG2-CE2 3.62Å; V271-F293 HydrophobicContact CG2-CG 4.31Å; V271-F293 HydrophobicContact CG2-CZ 3.86Å; F273-F293 HydrophobicContact CE1-CE2 4.41Å; V289-F293 HydrophobicContact CG1-CD2 4.24Å; V289-F293 HydrophobicContact CG1-CE2 3.94Å; V289-F293 WeakPolarHBondContact O-CD2 3.33Å; V289-F293 PolarHBondContact O-N 2.93Å; A290-F293 WeakPolarHBondContact O-CB 3.38Å; A290-F293 PolarHBondContact O-N 3.31Å; F293-H295 PolarHBondContact O-N 3.26Å; F293-I296 PolarHBondContact O-N 3.01Å; F293-K297 VanDerWaalsContact O-CB 3.32Å; F293-K297 WeakPolarHBondContact O-CB 3.49Å; F293-K297 PolarHBondContact O-N 3.32Å; F293-I305 HydrophobicContact CD1-CG2 3.36Å; F293-I305 HydrophobicContact CE1-CG2 3.52Å; F293-I305 HydrophobicContact CG-CG2 4.22Å; F293-I305 HydrophobicContact CZ-CG2 4.48Å; F293-I305 WeakPolarHBondContact O-CD1 3.18Å; F293-F307 HydrophobicContact CE1-CD1 4.32Å; F293-F307 AromaticContact CE1-CE1 3.91Å; F293-F307 HydrophobicContact CE1-CE1 3.91Å; F293-F307 HydrophobicContact CE1-CE2 4.31Å; F293-F307 AromaticContact CE1-CZ 3.89Å; F293-F307 HydrophobicContact CE1-CZ 3.89Å; F293-F307 AromaticContact CZ-CD1 3.73Å; F293-F307 HydrophobicContact CZ-CD1 3.73Å; F293-F307 AromaticContact CZ-CE1 3.58Å; F293-F307 HydrophobicContact CZ-CE1 3.58Å; F293-F307 HydrophobicContact CZ-CG 4.33Å; F293-F307 HydrophobicContact CZ-CZ 4.06Å; F293-L330 HydrophobicContact CE2-CD2 4.13Å; F293-L330 HydrophobicContact CZ-CD2 4.42Å; F293-L334 HydrophobicContact CB-CD2 3.65Å; F293-L334 HydrophobicContact CD1-CD1 3.79Å; F293-L334 HydrophobicContact CD1-CD2 4.15Å; F293-L334 HydrophobicContact CE1-CD1 4.11Å; F293-L334 HydrophobicContact CG-CD1 4.35Å; F293-L334 HydrophobicContact CG-CD2 3.92Å; F293-W339 HydrophobicContact CB-CH2 4.1Å; F293-W339 HydrophobicContact CB-CZ2 3.74Å; F293-W339 HydrophobicContact CD1-CH2 4.01Å; F293-W339 HydrophobicContact CD1-CZ2 4.45Å
294	D	98.9	Very high	98.6	Very high	51 Å²	51	32.3 Å²	32.3	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-60.9	-43.4	178.8	-76.8	-22.5	0	0	0	112.3	A290 K297 K298 R337 W339	A290-D294 PolarHBondContact O-N 3.12Å; D294-K297 PolarHBondContact O-N 2.99Å; D294-K298 WeakPolarHBondContact O-CB 3.48Å; D294-K298 PolarHBondContact O-N 3.15Å; D294-R337 WeakPolarHBondContact OD2-CD 3.42Å; D294-R337 IonicContact OD2-CZ 3.74Å; D294-R337 IonicContact OD2-NH1 3.4Å; D294-R337 PolarHBondContact OD2-NH1 3.04Å; D294-W339 PolarHBondContact OD1-NE1 3.08Å
295	H	98.9	Very high	98.7	Very high	28 Å²	28	31.9 Å²	31.9	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-46.5	179	-177.8	80.9	0	0	0	112	A244 T246 V247 D256 D291 H292 F293 K297 K298 V299	A244-H295 HydrophobicContact CB-CB 4.39Å; T246-H295 VanDerWaalsContact CB-CE1 3.44Å; T246-H295 WeakPolarHBondContact CB-CE1 3.15Å; T246-H295 WeakPolarHBondContact CB-NE2 3.36Å; V247-H295 HydrophobicContact CG2-CB 3.52Å; D256-H295 IonicContact OD1-CD2 3.66Å; D256-H295 IonicContact OD1-CE1 3.42Å; D256-H295 IonicContact OD1-NE2 2.76Å; D256-H295 PolarHBondContact OD1-NE2 3.15Å; D256-H295 IonicContact OD2-CE1 2.78Å; D256-H295 IonicContact OD2-NE2 2.87Å; D256-H295 PolarHBondContact OD2-NE2 2.77Å; D291-H295 WeakPolarHBondContact O-CB 3.19Å; D291-H295 PolarHBondContact O-N 3.09Å; H292-H295 PolarHBondContact O-N 3.12Å; F293-H295 PolarHBondContact O-N 3.26Å; H295-K297 VanDerWaalsContact C-N 3.28Å; H295-K297 PolarHBondContact O-N 3.18Å; H295-K298 WeakPolarHBondContact O-CB 3.44Å; H295-K298 PolarHBondContact O-N 3.02Å; H295-K298 VanDerWaalsContact O-N 3.16Å; H295-V299 WeakPolarHBondContact NE2-CG2 3.06Å; H295-V299 WeakPolarHBondContact O-CG2 3.11Å; H295-V299 PolarHBondContact O-N 2.85Å
296	I	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-40.6	178.1	-63.9	160.8	0	0	0	110.2	A244 L259 V269 V271 H292 F293 K298 V299 G300 I304 I305	A244-I296 HydrophobicContact CB-CD1 4.33Å; A244-I296 HydrophobicContact CB-CG1 3.92Å; L259-I296 HydrophobicContact CD1-CG1 4Å; L259-I296 HydrophobicContact CD2-CG1 4.35Å; L259-I296 HydrophobicContact CD2-CG2 4.16Å; V269-I296 HydrophobicContact CG1-CD1 3.9Å; V269-I296 HydrophobicContact CG1-CG1 4.37Å; V269-I296 HydrophobicContact CG1-CG2 3.59Å; V269-I296 HydrophobicContact CG2-CD1 4.31Å; V271-I296 HydrophobicContact CG2-CD1 3.77Å; H292-I296 WeakPolarHBondContact O-CD1 3.34Å; H292-I296 WeakPolarHBondContact O-CG1 3.37Å; H292-I296 PolarHBondContact O-N 3.03Å; F293-I296 PolarHBondContact O-N 3.01Å; I296-K298 VanDerWaalsContact C-N 3.29Å; I296-K298 PolarHBondContact O-N 3.43Å; I296-V299 PolarHBondContact O-N 3.05Å; I296-G300 PolarHBondContact O-N 3.37Å; I296-I304 HydrophobicContact CG2-CD1 3.86Å; I296-I304 HydrophobicContact CG2-CG1 4.07Å; I296-I305 HydrophobicContact CB-CD1 3.93Å; I296-I305 HydrophobicContact CB-CG1 4.09Å; I296-I305 HydrophobicContact CG2-CD1 3.8Å; I296-I305 HydrophobicContact CG2-CG1 3.5Å
297	K	98.8	Very high	98.7	Very high	52 Å²	52	28.2 Å²	28.2	23%	0.226	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-41	176.7	174.7	179.9	173.7	174.5	0	111.2	F293 D294 H295 G300 A302 I305 W339 E343	F293-K297 VanDerWaalsContact O-CB 3.32Å; F293-K297 WeakPolarHBondContact O-CB 3.49Å; F293-K297 PolarHBondContact O-N 3.32Å; D294-K297 PolarHBondContact O-N 2.99Å; H295-K297 VanDerWaalsContact C-N 3.28Å; H295-K297 PolarHBondContact O-N 3.18Å; K297-G300 CarbonylContact O-C 3.51Å; K297-A302 HydrophobicContact CG-CB 4.43Å; K297-I305 HydrophobicContact CB-CD1 3.72Å; K297-W339 HydrophobicContact CB-CH2 4.21Å; K297-W339 HydrophobicContact CB-CZ2 3.9Å; K297-W339 HydrophobicContact CD-CD2 4.2Å; K297-W339 HydrophobicContact CD-CH2 4.14Å; K297-W339 HydrophobicContact CD-CZ2 3.62Å; K297-W339 HydrophobicContact CG-CZ2 4.35Å; K297-E343 WeakPolarHBondContact CE-OE1 3.37Å; K297-E343 IonicContact NZ-OE1 3.71Å; K297-E343 PolarHBondContact NZ-OE1 3.05Å; K297-E343 IonicContact NZ-OE2 2.75Å; K297-E343 PolarHBondContact NZ-OE2 3.38Å
298	K	98.7	Very high	98.7	Very high	175 Å²	175	26 Å²	26	76%	0.761	14%	0.144	S	C	*	.	H	α-helix	trans	-67.7	-40.3	179	177.1	-177.6	174.6	-172.2	0	112.9	D294 H295 I296	D294-K298 WeakPolarHBondContact O-CB 3.48Å; D294-K298 PolarHBondContact O-N 3.15Å; H295-K298 WeakPolarHBondContact O-CB 3.44Å; H295-K298 PolarHBondContact O-N 3.02Å; H295-K298 VanDerWaalsContact O-N 3.16Å; I296-K298 VanDerWaalsContact C-N 3.29Å; I296-K298 PolarHBondContact O-N 3.43Å
299	V	98.5	Very high	98.6	Very high	40 Å²	40	24.2 Å²	24.2	24%	0.242	13%	0.134	C	C	.	.	H	α-helix	trans	-78	-46.9	-178.5	174.3	0	0	0	0	111.6	D256 L259 H295 I296	D256-V299 HydrophobicContact CB-CG1 3.97Å; D256-V299 HydrophobicContact CB-CG2 4.34Å; D256-V299 WeakPolarHBondContact O-CG1 3.49Å; L259-V299 HydrophobicContact CB-CG1 3.87Å; L259-V299 HydrophobicContact CD1-CB 4.47Å; L259-V299 HydrophobicContact CD1-CG1 4.43Å; H295-V299 WeakPolarHBondContact NE2-CG2 3.06Å; H295-V299 WeakPolarHBondContact O-CG2 3.11Å; H295-V299 PolarHBondContact O-N 2.85Å; I296-V299 PolarHBondContact O-N 3.05Å
300	G	96.8	Very high	98.6	Very high	18 Å²	18	24.7 Å²	24.7	19%	0.186	14%	0.136	C	C	.	.	S	Bend	trans	-105.3	-101.7	179.1	0	0	0	0	0	111.2	I296 K297	I296-G300 PolarHBondContact O-N 3.37Å; K297-G300 CarbonylContact O-C 3.51Å
301	S	98.1	Very high	98.6	Very high	39 Å²	39	24.7 Å²	24.7	27%	0.273	14%	0.136	S	C	.	.			trans	-161.1	168.7	175.3	69.2	0	0	0	0	110	N263 G303 I304	N263-S301 WeakPolarHBondContact OD1-CB 3.3Å; N263-S301 PolarHBondContact OD1-OG 3.27Å; S301-G303 PolarHBondContact O-N 3.44Å; S301-G303 VanDerWaalsContact O-N 3.15Å; S301-G303 PolarHBondContact OG-N 2.82Å; S301-G303 VanDerWaalsContact OG-N 3.14Å; S301-I304 VanDerWaalsContact O-CG1 3.25Å; S301-I304 WeakPolarHBondContact O-CG1 3.23Å; S301-I304 PolarHBondContact O-N 3.41Å
302	A	98.3	Very high	98.6	Very high	11 Å²	11	21.8 Å²	21.8	9%	0.091	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-61.5	-18.1	168.7	0	0	0	0	0	113.1	K297 I304 W339 E343 N351	K297-A302 HydrophobicContact CG-CB 4.43Å; A302-I304 VanDerWaalsContact C-N 3.25Å; A302-I304 PolarHBondContact O-N 2.98Å; A302-W339 HydrophobicContact CB-CZ3 4.3Å; A302-E343 HydrophobicContact CB-CB 3.84Å; A302-E343 HydrophobicContact CB-CG 3.6Å; A302-N351 PolarHBondContact O-ND2 2.93Å
303	G	98.3	Very high	98.6	Very high	23 Å²	23	23.5 Å²	23.5	24%	0.237	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-74.8	-7.4	-177.7	0	0	0	0	0	115.3	S301 N351 R354	S301-G303 PolarHBondContact O-N 3.44Å; S301-G303 VanDerWaalsContact O-N 3.15Å; S301-G303 PolarHBondContact OG-N 2.82Å; S301-G303 VanDerWaalsContact OG-N 3.14Å; G303-N351 WeakPolarHBondContact CA-OD1 3.43Å; G303-N351 VanDerWaalsContact O-CG 3.25Å; G303-N351 PolarHBondContact O-OD1 3.23Å; G303-R354 PolarHBondContact O-NH2 3.04Å
304	I	98.6	Very high	98.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-112.6	14.4	177.9	62.9	160.5	0	0	0	113.5	N263 G267 I268 V269 I296 S301 A302	N263-I304 HydrophobicContact CB-CD1 4.25Å; N263-I304 HydrophobicContact CB-CG2 4.1Å; G267-I304 WeakPolarHBondContact O-CG2 3.21Å; I268-I304 CarbonylContact C-O 3.47Å; I268-I304 WeakPolarHBondContact CA-O 3.19Å; I268-I304 WeakPolarHBondContact CG1-O 3.36Å; V269-I304 VanDerWaalsContact CG1-O 3.32Å; V269-I304 WeakPolarHBondContact CG1-O 3.22Å; V269-I304 PolarHBondContact N-O 3.45Å; I296-I304 HydrophobicContact CG2-CD1 3.86Å; I296-I304 HydrophobicContact CG2-CG1 4.07Å; S301-I304 VanDerWaalsContact O-CG1 3.25Å; S301-I304 WeakPolarHBondContact O-CG1 3.23Å; S301-I304 PolarHBondContact O-N 3.41Å; A302-I304 VanDerWaalsContact C-N 3.25Å; A302-I304 PolarHBondContact O-N 2.98Å
305	I	98.9	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.5	-172.6	-58.2	172.5	0	0	0	110.1	V269 V271 F293 I296 K297 W339 A347 N351	V269-I305 CarbonylContact O-C 3.46Å; V269-I305 WeakPolarHBondContact O-CA 3.48Å; V271-I305 HydrophobicContact CG2-CG2 4.37Å; F293-I305 HydrophobicContact CD1-CG2 3.36Å; F293-I305 HydrophobicContact CE1-CG2 3.52Å; F293-I305 HydrophobicContact CG-CG2 4.22Å; F293-I305 HydrophobicContact CZ-CG2 4.48Å; F293-I305 WeakPolarHBondContact O-CD1 3.18Å; I296-I305 HydrophobicContact CB-CD1 3.93Å; I296-I305 HydrophobicContact CB-CG1 4.09Å; I296-I305 HydrophobicContact CG2-CD1 3.8Å; I296-I305 HydrophobicContact CG2-CG1 3.5Å; K297-I305 HydrophobicContact CB-CD1 3.72Å; I305-W339 HydrophobicContact CD1-CH2 3.58Å; I305-W339 HydrophobicContact CD1-CZ2 4.31Å; I305-W339 HydrophobicContact CD1-CZ3 4.5Å; I305-W339 HydrophobicContact CG2-CH2 4.35Å; I305-A347 HydrophobicContact CG2-CB 4.44Å; I305-A347 WeakPolarHBondContact O-CA 3.48Å; I305-N351 PolarHBondContact O-ND2 3.41Å
306	G	98.9	Very high	98.5	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-175.1	171.9	0	0	0	0	0	112.5	V269 M270 V271	V269-G306 PolarHBondContact O-N 3.47Å; M270-G306 CarbonylContact C-O 3.57Å; M270-G306 WeakPolarHBondContact CA-O 3.47Å; V271-G306 PolarHBondContact N-O 3.28Å
307	F	98.9	Very high	98.5	Very high	1 Å²	1	30 Å²	30	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.8	-179.3	-64.6	-92.4	0	0	0	110.6	L40 D42 G43 M270 F273 F293 Y327 L330 V331 L334 A347 L348	L40-F307 HydrophobicContact CD1-CB 4.33Å; L40-F307 HydrophobicContact CD1-CD1 4.08Å; L40-F307 HydrophobicContact CD1-CD2 3.89Å; L40-F307 HydrophobicContact CD1-CE1 4.39Å; L40-F307 HydrophobicContact CD1-CE2 4.22Å; L40-F307 HydrophobicContact CD1-CG 3.83Å; L40-F307 HydrophobicContact CD1-CZ 4.46Å; L40-F307 HydrophobicContact CD2-CB 4.46Å; L40-F307 HydrophobicContact CG-CD2 4.22Å; L40-F307 HydrophobicContact CG-CG 4.35Å; D42-F307 CarbonylContact C-O 3.57Å; D42-F307 WeakPolarHBondContact CA-O 3.27Å; G43-F307 PolarHBondContact N-O 3.24Å; M270-F307 VanDerWaalsContact CE-O 3.23Å; M270-F307 WeakPolarHBondContact CE-O 3.5Å; F273-F307 HydrophobicContact CZ-CD1 4.11Å; F293-F307 HydrophobicContact CE1-CD1 4.32Å; F293-F307 AromaticContact CE1-CE1 3.91Å; F293-F307 HydrophobicContact CE1-CE1 3.91Å; F293-F307 HydrophobicContact CE1-CE2 4.31Å; F293-F307 AromaticContact CE1-CZ 3.89Å; F293-F307 HydrophobicContact CE1-CZ 3.89Å; F293-F307 AromaticContact CZ-CD1 3.73Å; F293-F307 HydrophobicContact CZ-CD1 3.73Å; F293-F307 AromaticContact CZ-CE1 3.58Å; F293-F307 HydrophobicContact CZ-CE1 3.58Å; F293-F307 HydrophobicContact CZ-CG 4.33Å; F293-F307 HydrophobicContact CZ-CZ 4.06Å; F307-Y327 HydrophobicContact CB-CE1 4.23Å; F307-Y327 AromaticContact CD1-CD1 3.98Å; F307-Y327 HydrophobicContact CD1-CD1 3.98Å; F307-Y327 HydrophobicContact CD1-CE1 4.21Å; F307-L330 HydrophobicContact CD1-CD2 4.24Å; F307-L330 HydrophobicContact CE1-CD2 3.8Å; F307-L330 HydrophobicContact CE1-CG 4.28Å; F307-V331 HydrophobicContact CZ-CG2 4.11Å; F307-L334 HydrophobicContact CZ-CD1 4.26Å; F307-A347 WeakPolarHBondContact CD2-O 3.09Å; F307-A347 HydrophobicContact CE2-CB 3.99Å; F307-L348 HydrophobicContact CE2-CD2 4.01Å; F307-L348 HydrophobicContact CE2-CG 4.44Å; F307-L348 HydrophobicContact CZ-CD2 4.42Å
308	G	98.8	Very high	98.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.			trans	-144.6	62	-178.8	0	0	0	0	0	110	S240 H241 V271 N272 D310	S240-G308 VanDerWaalsContact O-CA 3.24Å; S240-G308 WeakPolarHBondContact O-CA 3.28Å; H241-G308 VanDerWaalsContact CB-O 3.23Å; H241-G308 WeakPolarHBondContact CB-O 3.24Å; V271-G308 CarbonylContact O-C 3.43Å; V271-G308 PolarHBondContact O-N 3.13Å; V271-G308 VanDerWaalsContact O-O 3.12Å; N272-G308 VanDerWaalsContact CA-O 3.3Å; N272-G308 WeakPolarHBondContact CA-O 3.16Å; G308-D310 PolarHBondContact O-N 3.38Å
309	G	98.5	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.161	C	C	.	.			trans	-63.5	-19.7	-157.7	0	0	0	0	0	115.4	D42 F273 Y311	D42-G309 PolarHBondContact OD2-N 3.24Å; F273-G309 WeakPolarHBondContact CB-O 3.36Å; F273-G309 PolarHBondContact N-O 3.3Å; G309-Y311 PolarHBondContact O-N 3.37Å
310	D	98.8	Very high	98.5	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.053	16%	0.16	C	C	.	.			trans	63.8	27.3	-178.1	-156.8	-0.2	0	0	0	112.1	H44 H241 N272 G308 G313 V314	H44-D310 IonicContact CD2-OD1 3.75Å; H44-D310 PolarHBondContact O-N 2.89Å; H241-D310 HydrophobicContact CB-CB 4.3Å; H241-D310 IonicContact CD2-OD2 3.21Å; N272-D310 WeakPolarHBondContact ND2-CB 3.39Å; N272-D310 PolarHBondContact ND2-OD2 3.05Å; G308-D310 PolarHBondContact O-N 3.38Å; D310-G313 PolarHBondContact O-N 2.87Å; D310-G313 VanDerWaalsContact O-N 3.15Å; D310-V314 HydrophobicContact CB-CG1 4.12Å; D310-V314 VanDerWaalsContact CG-CG1 3.48Å; D310-V314 WeakPolarHBondContact O-CG2 3.39Å; D310-V314 PolarHBondContact O-N 2.76Å; D310-V314 WeakPolarHBondContact OD2-CG1 3.48Å
311	Y	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-60.8	144.9	175.8	-78	-61.4	0	0	0	110.6	D46 H71 F273 G309 G313 V317 L321 D323 V324 Y327	D46-Y311 PolarHBondContact N-O 3.07Å; H71-Y311 HydrophobicContact CB-CD1 3.55Å; H71-Y311 HydrophobicContact CB-CE1 4.44Å; H71-Y311 HydrophobicContact CB-CG 4.07Å; H71-Y311 AromaticContact CG-CD1 3.8Å; H71-Y311 AromaticContact ND1-CD1 3.71Å; F273-Y311 AromaticContact CD2-CE2 3.79Å; F273-Y311 HydrophobicContact CD2-CE2 3.79Å; F273-Y311 AromaticContact CD2-CZ 3.83Å; F273-Y311 AromaticContact CE2-CE2 3.9Å; F273-Y311 HydrophobicContact CE2-CE2 3.9Å; G309-Y311 PolarHBondContact O-N 3.37Å; Y311-G313 PolarHBondContact O-N 2.95Å; Y311-V317 HydrophobicContact CD1-CG1 4.03Å; Y311-V317 HydrophobicContact CE1-CB 4.37Å; Y311-V317 HydrophobicContact CE1-CG1 3.94Å; Y311-L321 VanDerWaalsContact CE1-O 3.26Å; Y311-L321 WeakPolarHBondContact CE1-O 3.45Å; Y311-L321 PolarHBondContact OH-O 3.04Å; Y311-D323 PolarHBondContact OH-O 2.94Å; Y311-V324 HydrophobicContact CD1-CG1 4.5Å; Y311-V324 HydrophobicContact CD2-CB 4.39Å; Y311-V324 HydrophobicContact CD2-CG1 3.53Å; Y311-V324 HydrophobicContact CE2-CG1 4.15Å; Y311-V324 HydrophobicContact CG-CG1 3.72Å; Y311-Y327 HydrophobicContact CD2-CE2 4.38Å; Y311-Y327 WeakPolarHBondContact CD2-OH 3.21Å; Y311-Y327 HydrophobicContact CE2-CE1 4.33Å; Y311-Y327 AromaticContact CE2-CE2 3.98Å; Y311-Y327 HydrophobicContact CE2-CE2 3.98Å; Y311-Y327 AromaticContact CE2-CZ 3.68Å; Y311-Y327 WeakPolarHBondContact CE2-OH 3.12Å
312	D	98.9	Very high	98.6	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.032	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-3.4	-171.2	-69.7	-53.9	0	0	0	116.3	D46 Q50 T70 H71 T72	D46-D312 VanDerWaalsContact CB-C 3.41Å; D46-D312 HydrophobicContact CB-CB 4.22Å; Q50-D312 HydrophobicContact CG-CB 3.69Å; Q50-D312 PolarHBondContact NE2-O 2.87Å; T70-D312 WeakPolarHBondContact CA-OD1 3.34Å; T70-D312 WeakPolarHBondContact CB-OD1 3.25Å; H71-D312 IonicContact CG-OD1 3.63Å; H71-D312 PolarHBondContact N-OD1 3.02Å; H71-D312 PolarHBondContact ND1-N 2.78Å; H71-D312 VanDerWaalsContact ND1-N 3.14Å; T72-D312 WeakPolarHBondContact CB-OD2 3.31Å; T72-D312 PolarHBondContact N-OD2 3.01Å; T72-D312 PolarHBondContact OG1-OD2 3.11Å
313	G	98.3	Very high	98.6	Very high	36 Å²	36	27.1 Å²	27.1	37%	0.371	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-30.1	176.4	0	0	0	0	0	112.8	D46 D310 Y311	D46-G313 VanDerWaalsContact CB-CA 3.45Å; D46-G313 VanDerWaalsContact CB-N 3.35Å; D46-G313 WeakPolarHBondContact OD2-CA 3.3Å; D310-G313 PolarHBondContact O-N 2.87Å; D310-G313 VanDerWaalsContact O-N 3.15Å; Y311-G313 PolarHBondContact O-N 2.95Å
314	V	98.5	Very high	98.7	Very high	14 Å²	14	26 Å²	26	9%	0.085	15%	0.146	C	C	.	.	S	Bend	trans	-109.9	149.6	-173.9	-61.2	0	0	0	0	112.9	Y274 D310 R316 V317	Y274-V314 HydrophobicContact CD1-CG1 3.99Å; Y274-V314 HydrophobicContact CD2-CB 3.66Å; Y274-V314 HydrophobicContact CD2-CG1 3.98Å; Y274-V314 HydrophobicContact CD2-CG2 4.13Å; Y274-V314 HydrophobicContact CE2-CB 4.17Å; Y274-V314 HydrophobicContact CG-CB 3.86Å; Y274-V314 HydrophobicContact CG-CG1 3.62Å; Y274-V314 HydrophobicContact CG-CG2 4.41Å; D310-V314 HydrophobicContact CB-CG1 4.12Å; D310-V314 VanDerWaalsContact CG-CG1 3.48Å; D310-V314 WeakPolarHBondContact O-CG2 3.39Å; D310-V314 PolarHBondContact O-N 2.76Å; D310-V314 WeakPolarHBondContact OD2-CG1 3.48Å; V314-R316 VanDerWaalsContact C-N 3.31Å; V314-R316 VanDerWaalsContact CG2-O 3.27Å; V314-R316 WeakPolarHBondContact CG2-O 3.47Å; V314-R316 PolarHBondContact O-N 3.03Å; V314-V317 HydrophobicContact CG2-CG1 3.85Å
315	P	97.5	Very high	98.7	Very high	96 Å²	96	26.3 Å²	26.3	62%	0.623	15%	0.148	S	C	*	.	S	Bend	trans	-79.9	-10.8	-179	32.8	-37.4	0	0	0	114	Y274	Y274-P315 HydrophobicContact CE2-CG 3.97Å
316	R	98.1	Very high	98.7	Very high	80 Å²	80	28.5 Å²	28.5	30%	0.302	16%	0.158	S	C	.	.			trans	-144.3	139.2	-176.2	-67.7	177	-68.7	-75.1	5.1	109.8	Y274 N275 D276 T282 V314	Y274-R316 HydrophobicContact CD2-CB 4.49Å; Y274-R316 WeakPolarHBondContact CD2-O 3.28Å; Y274-R316 HydrophobicContact CE2-CB 4.25Å; Y274-R316 PolarHBondContact OH-NH2 3.31Å; N275-R316 HydrophobicContact CB-CB 4.37Å; D276-R316 IonicContact OD1-CZ 3.44Å; D276-R316 IonicContact OD1-NH2 2.63Å; D276-R316 PolarHBondContact OD1-NH2 3.38Å; D276-R316 IonicContact OD2-CZ 3.72Å; D276-R316 VanDerWaalsContact OD2-CZ 3.3Å; D276-R316 IonicContact OD2-NE 3.54Å; D276-R316 PolarHBondContact OD2-NE 2.92Å; D276-R316 IonicContact OD2-NH2 3.71Å; D276-R316 PolarHBondContact OD2-NH2 3.16Å; T282-R316 WeakPolarHBondContact O-CD 3.4Å; V314-R316 VanDerWaalsContact C-N 3.31Å; V314-R316 VanDerWaalsContact CG2-O 3.27Å; V314-R316 WeakPolarHBondContact CG2-O 3.47Å; V314-R316 PolarHBondContact O-N 3.03Å
317	V	98.8	Very high	98.7	Very high	25 Å²	25	28.4 Å²	28.4	15%	0.152	16%	0.157	C	C	.	.			trans	-130.7	163	174	-67.2	0	0	0	0	109.3	N275 Y311 V314 E322	N275-V317 PolarHBondContact ND2-O 2.8Å; N275-V317 VanDerWaalsContact OD1-CA 3.27Å; N275-V317 WeakPolarHBondContact OD1-CA 3.32Å; N275-V317 PolarHBondContact OD1-O 3.1Å; N275-V317 VanDerWaalsContact OD1-O 3.13Å; Y311-V317 HydrophobicContact CD1-CG1 4.03Å; Y311-V317 HydrophobicContact CE1-CB 4.37Å; Y311-V317 HydrophobicContact CE1-CG1 3.94Å; V314-V317 HydrophobicContact CG2-CG1 3.85Å; V317-E322 WeakPolarHBondContact CG2-O 3.16Å
318	P	98.9	Very high	98.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.158	C	C	.	.			trans	-73.3	152.8	-171.3	-18.9	35.3	0	0	0	111.1	F273 N275 A284 V289 G320 L321	F273-P318 HydrophobicContact CB-CG 4.28Å; F273-P318 WeakPolarHBondContact O-CD 3.29Å; F273-P318 WeakPolarHBondContact O-CG 3.19Å; N275-P318 WeakPolarHBondContact OD1-CA 3.4Å; A284-P318 HydrophobicContact CB-CB 3.94Å; A284-P318 HydrophobicContact CB-CG 4.16Å; A284-P318 CarbonylContact O-C 3.54Å; A284-P318 VanDerWaalsContact O-CA 3.28Å; A284-P318 WeakPolarHBondContact O-CA 3.5Å; V289-P318 HydrophobicContact CG2-CB 4.32Å; V289-P318 HydrophobicContact CG2-CG 3.68Å; P318-G320 PolarHBondContact O-N 3.23Å; P318-L321 HydrophobicContact CB-CB 4.24Å; P318-L321 HydrophobicContact CB-CD1 4.41Å; P318-L321 HydrophobicContact CG-CB 4.34Å; P318-L321 HydrophobicContact CG-CD1 4.24Å; P318-L321 CarbonylContact O-C 3.55Å; P318-L321 WeakPolarHBondContact O-CA 3.15Å; P318-L321 PolarHBondContact O-N 2.94Å
319	E	98.8	Very high	98.7	Very high	149 Å²	149	31.3 Å²	31.3	70%	0.696	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-59.2	132.1	167.5	-175.1	179.4	176.1	0	0	110.2	A284 N285 L286 L321	A284-E319 PolarHBondContact O-N 3.24Å; N285-E319 CarbonylContact C-O 3.54Å; N285-E319 VanDerWaalsContact CA-O 3.31Å; N285-E319 WeakPolarHBondContact CA-O 3.23Å; N285-E319 HydrophobicContact CB-CB 4.13Å; L286-E319 PolarHBondContact N-O 2.85Å; E319-L321 VanDerWaalsContact C-N 3.29Å
320	G	98.6	Very high	98.7	Very high	21 Å²	21	31.3 Å²	31.3	22%	0.216	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-7.8	-171.2	0	0	0	0	0	114.2	P318 E322 K326	P318-G320 PolarHBondContact O-N 3.23Å; G320-E322 WeakPolarHBondContact CA-OE1 3.46Å; G320-E322 PolarHBondContact N-OE1 3.32Å; G320-K326 WeakPolarHBondContact O-CB 3.36Å
321	L	98.8	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.			trans	-128.2	36.9	179.8	-76.7	175.7	0	0	0	111.6	F273 L286 V289 Y311 P318 E319 D323 K326 L330	F273-L321 HydrophobicContact CD2-CD1 4.26Å; F273-L321 HydrophobicContact CE2-CD1 4.47Å; F273-L321 HydrophobicContact CE2-CD2 4.43Å; F273-L321 HydrophobicContact CG-CD1 4.33Å; L286-L321 HydrophobicContact CB-CD1 4.25Å; L286-L321 HydrophobicContact CB-CG 4.08Å; L286-L321 HydrophobicContact CD1-CD2 4.21Å; L286-L321 HydrophobicContact CD1-CG 4.09Å; L286-L321 HydrophobicContact CG-CD1 4.2Å; L286-L321 HydrophobicContact CG-CD2 4.46Å; L286-L321 HydrophobicContact CG-CG 4.01Å; V289-L321 HydrophobicContact CB-CD1 3.98Å; V289-L321 HydrophobicContact CG1-CD1 4.21Å; V289-L321 HydrophobicContact CG2-CD1 3.65Å; Y311-L321 VanDerWaalsContact CE1-O 3.26Å; Y311-L321 WeakPolarHBondContact CE1-O 3.45Å; Y311-L321 PolarHBondContact OH-O 3.04Å; P318-L321 HydrophobicContact CB-CB 4.24Å; P318-L321 HydrophobicContact CB-CD1 4.41Å; P318-L321 HydrophobicContact CG-CB 4.34Å; P318-L321 HydrophobicContact CG-CD1 4.24Å; P318-L321 CarbonylContact O-C 3.55Å; P318-L321 WeakPolarHBondContact O-CA 3.15Å; P318-L321 PolarHBondContact O-N 2.94Å; E319-L321 VanDerWaalsContact C-N 3.29Å; L321-D323 PolarHBondContact O-N 3.35Å; L321-D323 VanDerWaalsContact O-N 3.14Å; L321-K326 HydrophobicContact CD2-CB 3.87Å; L321-L330 HydrophobicContact CD1-CD2 4.3Å; L321-L330 HydrophobicContact CD2-CB 4.07Å; L321-L330 HydrophobicContact CD2-CD2 4.47Å
322	E	98.8	Very high	98.7	Very high	79 Å²	79	30.9 Å²	30.9	37%	0.369	17%	0.171	S	C	.	.	S	Bend	trans	-61.8	-27.4	-170.3	-62.2	79.7	-164.1	0	0	114.3	V317 G320 K326	V317-E322 WeakPolarHBondContact CG2-O 3.16Å; G320-E322 WeakPolarHBondContact CA-OE1 3.46Å; G320-E322 PolarHBondContact N-OE1 3.32Å; E322-K326 WeakPolarHBondContact OE2-CE 3.47Å; E322-K326 IonicContact OE2-NZ 3.71Å; E322-K326 PolarHBondContact OE2-NZ 2.78Å
323	D	98.9	Very high	98.7	Very high	25 Å²	25	32 Å²	32	13%	0.134	18%	0.176	C	C	.	.	S	Bend	trans	-159	175	-177.5	70	34.3	0	0	0	112	H71 K76 Y311 L321 S325 K326	H71-D323 HydrophobicContact CB-CB 4.47Å; H71-D323 VanDerWaalsContact O-CB 3.31Å; H71-D323 WeakPolarHBondContact O-CB 3.28Å; K76-D323 HydrophobicContact CD-CB 3.98Å; K76-D323 WeakPolarHBondContact CD-OD2 3.38Å; K76-D323 WeakPolarHBondContact CE-OD2 3.46Å; K76-D323 IonicContact NZ-OD2 3.98Å; K76-D323 PolarHBondContact NZ-OD2 2.05Å; K76-D323 VanDerWaalsContact NZ-OD2 3.08Å; Y311-D323 PolarHBondContact OH-O 2.94Å; L321-D323 PolarHBondContact O-N 3.35Å; L321-D323 VanDerWaalsContact O-N 3.14Å; D323-S325 PolarHBondContact O-N 3.15Å; D323-S325 WeakPolarHBondContact OD1-CA 3.31Å; D323-S325 WeakPolarHBondContact OD1-CB 3.34Å; D323-S325 PolarHBondContact OD1-N 2.68Å; D323-S325 PolarHBondContact OD1-OG 2.79Å; D323-K326 WeakPolarHBondContact O-CB 3.45Å; D323-K326 WeakPolarHBondContact O-CG 3.46Å; D323-K326 PolarHBondContact O-N 2.77Å; D323-K326 VanDerWaalsContact O-N 3.09Å
324	V	98.8	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.5	-175.2	-56.1	0	0	0	0	113.9	H71 T72 K76 I77 G80 I82 Y311 K326 Y327	H71-V324 WeakPolarHBondContact O-CG2 3.12Å; H71-V324 PolarHBondContact O-N 3.01Å; T72-V324 HydrophobicContact CG2-CG1 4.16Å; T72-V324 HydrophobicContact CG2-CG2 4.17Å; T72-V324 WeakPolarHBondContact OG1-CG1 3.45Å; K76-V324 HydrophobicContact CB-CG2 3.51Å; I77-V324 HydrophobicContact CG1-CG2 4.01Å; G80-V324 WeakPolarHBondContact CA-O 3.19Å; I82-V324 HydrophobicContact CD1-CB 3.8Å; I82-V324 HydrophobicContact CD1-CG2 4.19Å; Y311-V324 HydrophobicContact CD1-CG1 4.5Å; Y311-V324 HydrophobicContact CD2-CB 4.39Å; Y311-V324 HydrophobicContact CD2-CG1 3.53Å; Y311-V324 HydrophobicContact CE2-CG1 4.15Å; Y311-V324 HydrophobicContact CG-CG1 3.72Å; V324-K326 VanDerWaalsContact C-N 3.26Å; V324-K326 PolarHBondContact O-N 3.15Å; V324-Y327 HydrophobicContact CB-CE2 4.05Å; V324-Y327 WeakPolarHBondContact O-CD2 3.27Å
325	S	98.8	Very high	98.7	Very high	7 Å²	7	30.2 Å²	30.2	5%	0.049	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.5	174.6	77.1	0	0	0	0	114.5	K76 D323	K76-S325 WeakPolarHBondContact O-CA 3.4Å; D323-S325 PolarHBondContact O-N 3.15Å; D323-S325 WeakPolarHBondContact OD1-CA 3.31Å; D323-S325 WeakPolarHBondContact OD1-CB 3.34Å; D323-S325 PolarHBondContact OD1-N 2.68Å; D323-S325 PolarHBondContact OD1-OG 2.79Å
326	K	98.8	Very high	98.8	Very high	47 Å²	47	30.9 Å²	30.9	20%	0.204	15%	0.147	C	C	.	.			trans	-98.2	-3.2	-167.9	-59.4	-60.6	-173.6	132.1	0	115.6	G320 L321 E322 D323 V324 P328 D329 L330	G320-K326 WeakPolarHBondContact O-CB 3.36Å; L321-K326 HydrophobicContact CD2-CB 3.87Å; E322-K326 WeakPolarHBondContact OE2-CE 3.47Å; E322-K326 IonicContact OE2-NZ 3.71Å; E322-K326 PolarHBondContact OE2-NZ 2.78Å; D323-K326 WeakPolarHBondContact O-CB 3.45Å; D323-K326 WeakPolarHBondContact O-CG 3.46Å; D323-K326 PolarHBondContact O-N 2.77Å; D323-K326 VanDerWaalsContact O-N 3.09Å; V324-K326 VanDerWaalsContact C-N 3.26Å; V324-K326 PolarHBondContact O-N 3.15Å; K326-P328 VanDerWaalsContact C-CD 3.42Å; K326-P328 VanDerWaalsContact C-N 3.32Å; K326-D329 WeakPolarHBondContact CD-OD2 3.44Å; K326-D329 WeakPolarHBondContact O-CB 3.47Å; K326-D329 PolarHBondContact O-N 2.83Å; K326-L330 PolarHBondContact O-N 3.3Å
327	Y	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-53	-40.2	176.8	-67.4	-78.6	0	0	0	114.6	L40 D42 I82 F273 F307 Y311 V324 D329 L330 V331	L40-Y327 HydrophobicContact CD1-CD1 3.42Å; L40-Y327 VanDerWaalsContact CD1-CD1 3.42Å; L40-Y327 HydrophobicContact CD1-CD2 4.4Å; L40-Y327 HydrophobicContact CD1-CE1 4.09Å; L40-Y327 HydrophobicContact CD1-CG 3.6Å; L40-Y327 HydrophobicContact CD2-CD1 4.24Å; L40-Y327 HydrophobicContact CD2-CD2 4.47Å; L40-Y327 HydrophobicContact CD2-CE1 4.17Å; L40-Y327 HydrophobicContact CD2-CE2 4.45Å; L40-Y327 HydrophobicContact CD2-CG 4.38Å; D42-Y327 PolarHBondContact OD2-OH 3.23Å; I82-Y327 HydrophobicContact CD1-CD2 4.06Å; I82-Y327 HydrophobicContact CD1-CE2 3.67Å; I82-Y327 HydrophobicContact CG1-CD2 3.98Å; I82-Y327 HydrophobicContact CG1-CE2 3.99Å; F273-Y327 HydrophobicContact CE2-CD1 4.19Å; F273-Y327 AromaticContact CE2-CE1 3.66Å; F273-Y327 HydrophobicContact CE2-CE1 3.66Å; F273-Y327 HydrophobicContact CZ-CD1 4.35Å; F273-Y327 AromaticContact CZ-CE1 3.94Å; F273-Y327 HydrophobicContact CZ-CE1 3.94Å; F307-Y327 HydrophobicContact CB-CE1 4.23Å; F307-Y327 AromaticContact CD1-CD1 3.98Å; F307-Y327 HydrophobicContact CD1-CD1 3.98Å; F307-Y327 HydrophobicContact CD1-CE1 4.21Å; Y311-Y327 HydrophobicContact CD2-CE2 4.38Å; Y311-Y327 WeakPolarHBondContact CD2-OH 3.21Å; Y311-Y327 HydrophobicContact CE2-CE1 4.33Å; Y311-Y327 AromaticContact CE2-CE2 3.98Å; Y311-Y327 HydrophobicContact CE2-CE2 3.98Å; Y311-Y327 AromaticContact CE2-CZ 3.68Å; Y311-Y327 WeakPolarHBondContact CE2-OH 3.12Å; V324-Y327 HydrophobicContact CB-CE2 4.05Å; V324-Y327 WeakPolarHBondContact O-CD2 3.27Å; Y327-D329 PolarHBondContact O-N 3.13Å; Y327-L330 PolarHBondContact O-N 3.4Å; Y327-L330 VanDerWaalsContact O-N 3.13Å; Y327-V331 WeakPolarHBondContact O-CG2 3.35Å; Y327-V331 PolarHBondContact O-N 3.29Å
328	P	98.8	Very high	98.8	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.032	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-33.2	176.8	-25.7	35.3	0	0	0	113.6	L28 Q32 M35 K326 V331 A332	L28-P328 HydrophobicContact CD1-CB 3.92Å; Q32-P328 HydrophobicContact CG-CB 4.23Å; M35-P328 HydrophobicContact CE-CG 4.24Å; M35-P328 HydrophobicContact SD-CB 4.03Å; M35-P328 HydrophobicContact SD-CG 3.86Å; K326-P328 VanDerWaalsContact C-CD 3.42Å; K326-P328 VanDerWaalsContact C-N 3.32Å; P328-V331 PolarHBondContact O-N 3.29Å; P328-A332 WeakPolarHBondContact O-CB 3.18Å; P328-A332 PolarHBondContact O-N 3.08Å
329	D	98.8	Very high	98.8	Very high	56 Å²	56	31.8 Å²	31.8	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-68.6	-39	179	-58.6	-38.7	0	0	0	110.7	L286 K326 Y327 A332 E333	L286-D329 HydrophobicContact CD1-CB 3.69Å; K326-D329 WeakPolarHBondContact CD-OD2 3.44Å; K326-D329 WeakPolarHBondContact O-CB 3.47Å; K326-D329 PolarHBondContact O-N 2.83Å; Y327-D329 PolarHBondContact O-N 3.13Å; D329-A332 WeakPolarHBondContact O-CB 3.48Å; D329-A332 PolarHBondContact O-N 3.45Å; D329-E333 PolarHBondContact O-N 2.92Å
330	L	98.9	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.2	-40	176.2	177.5	59.7	0	0	0	111.6	F273 L286 V289 A290 F293 F307 L321 K326 Y327 A332 E333 L334	F273-L330 HydrophobicContact CE1-CD2 3.92Å; F273-L330 HydrophobicContact CE2-CD2 4.46Å; F273-L330 HydrophobicContact CZ-CD2 3.64Å; L286-L330 HydrophobicContact CD1-CB 4.29Å; L286-L330 HydrophobicContact CD2-CB 4.49Å; L286-L330 HydrophobicContact CD2-CD1 3.93Å; L286-L330 HydrophobicContact CG-CB 4.24Å; L286-L330 HydrophobicContact CG-CD1 4.1Å; V289-L330 HydrophobicContact CB-CD1 4.42Å; V289-L330 HydrophobicContact CG1-CD1 4.18Å; V289-L330 HydrophobicContact CG1-CD2 3.86Å; A290-L330 HydrophobicContact CB-CD1 4.05Å; F293-L330 HydrophobicContact CE2-CD2 4.13Å; F293-L330 HydrophobicContact CZ-CD2 4.42Å; F307-L330 HydrophobicContact CD1-CD2 4.24Å; F307-L330 HydrophobicContact CE1-CD2 3.8Å; F307-L330 HydrophobicContact CE1-CG 4.28Å; L321-L330 HydrophobicContact CD1-CD2 4.3Å; L321-L330 HydrophobicContact CD2-CB 4.07Å; L321-L330 HydrophobicContact CD2-CD2 4.47Å; K326-L330 PolarHBondContact O-N 3.3Å; Y327-L330 PolarHBondContact O-N 3.4Å; Y327-L330 VanDerWaalsContact O-N 3.13Å; L330-A332 VanDerWaalsContact C-N 3.29Å; L330-A332 PolarHBondContact O-N 2.83Å; L330-E333 WeakPolarHBondContact O-CB 3.23Å; L330-E333 PolarHBondContact O-N 2.95Å; L330-E333 VanDerWaalsContact O-N 3.14Å; L330-L334 WeakPolarHBondContact O-CG 3.38Å; L330-L334 PolarHBondContact O-N 2.85Å
331	V	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-40.6	174.5	176.4	0	0	0	0	110.7	A31 M35 F307 Y327 P328 E333 L334 L335 V344 L348	A31-V331 HydrophobicContact CB-CB 3.82Å; A31-V331 HydrophobicContact CB-CG1 3.52Å; M35-V331 HydrophobicContact CG-CG2 4.44Å; M35-V331 HydrophobicContact SD-CB 4.34Å; M35-V331 HydrophobicContact SD-CG2 3.93Å; F307-V331 HydrophobicContact CZ-CG2 4.11Å; Y327-V331 WeakPolarHBondContact O-CG2 3.35Å; Y327-V331 PolarHBondContact O-N 3.29Å; P328-V331 PolarHBondContact O-N 3.29Å; V331-E333 VanDerWaalsContact C-N 3.29Å; V331-E333 PolarHBondContact O-N 2.85Å; V331-L334 PolarHBondContact O-N 3.4Å; V331-L335 WeakPolarHBondContact O-CG 3.24Å; V331-L335 PolarHBondContact O-N 3.45Å; V331-V344 HydrophobicContact CG1-CG1 3.53Å; V331-L348 HydrophobicContact CG2-CD2 3.79Å
332	A	98.8	Very high	98.8	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-38.9	174.1	0	0	0	0	0	111.8	F27 L28 A31 P328 D329 L330 L335 R336	F27-A332 HydrophobicContact CB-CB 4.14Å; L28-A332 HydrophobicContact CB-CB 4.24Å; L28-A332 HydrophobicContact CD1-CB 4.31Å; A31-A332 HydrophobicContact CB-CB 4.1Å; P328-A332 WeakPolarHBondContact O-CB 3.18Å; P328-A332 PolarHBondContact O-N 3.08Å; D329-A332 WeakPolarHBondContact O-CB 3.48Å; D329-A332 PolarHBondContact O-N 3.45Å; L330-A332 VanDerWaalsContact C-N 3.29Å; L330-A332 PolarHBondContact O-N 2.83Å; A332-L335 PolarHBondContact O-N 3.34Å; A332-R336 WeakPolarHBondContact O-CB 3.39Å; A332-R336 PolarHBondContact O-N 3.15Å
333	E	98.9	Very high	98.8	Very high	28 Å²	28	33.9 Å²	33.9	13%	0.131	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-41.1	175.3	-179.4	57.7	-161.7	0	0	112.9	L286 A290 D329 L330 V331 L335 R336 R337	L286-E333 HydrophobicContact CD2-CB 3.39Å; L286-E333 HydrophobicContact CD2-CG 3.63Å; A290-E333 HydrophobicContact CB-CG 3.81Å; D329-E333 PolarHBondContact O-N 2.92Å; L330-E333 WeakPolarHBondContact O-CB 3.23Å; L330-E333 PolarHBondContact O-N 2.95Å; L330-E333 VanDerWaalsContact O-N 3.14Å; V331-E333 VanDerWaalsContact C-N 3.29Å; V331-E333 PolarHBondContact O-N 2.85Å; E333-L335 VanDerWaalsContact C-N 3.32Å; E333-L335 PolarHBondContact O-N 3.1Å; E333-R336 WeakPolarHBondContact O-CB 3.48Å; E333-R336 PolarHBondContact O-N 2.95Å; E333-R336 IonicContact OE2-CZ 2.63Å; E333-R336 IonicContact OE2-NH1 3.78Å; E333-R336 PolarHBondContact OE2-NH1 3.13Å; E333-R337 VanDerWaalsContact O-CG 3.3Å; E333-R337 WeakPolarHBondContact O-CG 3.37Å; E333-R337 PolarHBondContact O-N 3.28Å; E333-R337 IonicContact OE1-CZ 2.9Å; E333-R337 IonicContact OE1-NE 3.38Å; E333-R337 PolarHBondContact OE1-NE 3.12Å; E333-R337 IonicContact OE1-NH2 2.75Å
334	L	98.8	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-43.6	173.9	-63.3	178.9	0	0	0	111.4	A290 F293 F307 L330 V331 R336 R337 G338 W339 V344	A290-L334 HydrophobicContact CB-CD2 4.09Å; F293-L334 HydrophobicContact CB-CD2 3.65Å; F293-L334 HydrophobicContact CD1-CD1 3.79Å; F293-L334 HydrophobicContact CD1-CD2 4.15Å; F293-L334 HydrophobicContact CE1-CD1 4.11Å; F293-L334 HydrophobicContact CG-CD1 4.35Å; F293-L334 HydrophobicContact CG-CD2 3.92Å; F307-L334 HydrophobicContact CZ-CD1 4.26Å; L330-L334 WeakPolarHBondContact O-CG 3.38Å; L330-L334 PolarHBondContact O-N 2.85Å; V331-L334 PolarHBondContact O-N 3.4Å; L334-R336 VanDerWaalsContact C-N 3.35Å; L334-R336 PolarHBondContact O-N 3.19Å; L334-R337 CarbonylContact O-C 3.55Å; L334-R337 WeakPolarHBondContact O-CB 3.28Å; L334-R337 PolarHBondContact O-N 3.11Å; L334-G338 PolarHBondContact O-N 3.31Å; L334-W339 HydrophobicContact CB-CB 4.21Å; L334-W339 HydrophobicContact CB-CD2 4.22Å; L334-W339 HydrophobicContact CB-CG 3.94Å; L334-W339 HydrophobicContact CD2-CD2 4.4Å; L334-W339 HydrophobicContact CD2-CZ2 4.31Å; L334-W339 VanDerWaalsContact O-CB 3.27Å; L334-W339 WeakPolarHBondContact O-CB 3.44Å; L334-W339 VanDerWaalsContact O-CD1 3.22Å; L334-W339 PolarHBondContact O-N 3.15Å; L334-V344 HydrophobicContact CB-CG2 4.41Å
335	L	98.8	Very high	98.8	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.9	-67.8	169.9	0	0	0	111.8	F27 R30 A31 L34 V331 A332 E333 R337 G338 V344	F27-L335 HydrophobicContact CD1-CB 3.7Å; F27-L335 HydrophobicContact CE1-CB 4.37Å; R30-L335 HydrophobicContact CB-CD1 3.96Å; R30-L335 HydrophobicContact CG-CD1 3.81Å; A31-L335 HydrophobicContact CB-CD1 4.08Å; L34-L335 HydrophobicContact CD1-CD1 4.05Å; L34-L335 HydrophobicContact CD1-CD2 3.92Å; L34-L335 HydrophobicContact CD1-CG 4.48Å; V331-L335 WeakPolarHBondContact O-CG 3.24Å; V331-L335 PolarHBondContact O-N 3.45Å; A332-L335 PolarHBondContact O-N 3.34Å; E333-L335 VanDerWaalsContact C-N 3.32Å; E333-L335 PolarHBondContact O-N 3.1Å; L335-R337 PolarHBondContact O-N 2.92Å; L335-G338 PolarHBondContact O-N 3.24Å; L335-V344 HydrophobicContact CD2-CG2 3.75Å; L335-V344 HydrophobicContact CG-CG2 4.14Å
336	R	98.4	Very high	98.8	Very high	110 Å²	110	35.3 Å²	35.3	42%	0.415	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-32.4	175.8	-172.4	177.6	-67	110.6	2.6	112	D25 F27 A332 E333 L334 G338	D25-R336 IonicContact OD1-NH2 3.45Å; D25-R336 PolarHBondContact OD1-NH2 2.84Å; D25-R336 IonicContact OD2-NH2 3.6Å; D25-R336 PolarHBondContact OD2-NH2 3.13Å; F27-R336 HydrophobicContact CD2-CB 4.08Å; F27-R336 HydrophobicContact CD2-CG 4.22Å; F27-R336 HydrophobicContact CE2-CB 4.16Å; F27-R336 HydrophobicContact CE2-CG 4.02Å; F27-R336 HydrophobicContact CG-CB 4.28Å; F27-R336 HydrophobicContact CZ-CB 4.44Å; A332-R336 WeakPolarHBondContact O-CB 3.39Å; A332-R336 PolarHBondContact O-N 3.15Å; E333-R336 WeakPolarHBondContact O-CB 3.48Å; E333-R336 PolarHBondContact O-N 2.95Å; E333-R336 IonicContact OE2-CZ 2.63Å; E333-R336 IonicContact OE2-NH1 3.78Å; E333-R336 PolarHBondContact OE2-NH1 3.13Å; L334-R336 VanDerWaalsContact C-N 3.35Å; L334-R336 PolarHBondContact O-N 3.19Å; R336-G338 PolarHBondContact O-N 3.42Å
337	R	98.6	Very high	98.8	Very high	62 Å²	62	33.1 Å²	33.1	23%	0.234	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	4.3	174.4	-67.6	166.7	172.2	-126	3.7	114.1	S287 A290 D291 D294 E333 L334 L335	S287-R337 PolarHBondContact O-NH2 3.16Å; S287-R337 PolarHBondContact OG-NH2 2.86Å; A290-R337 VanDerWaalsContact C-NH1 3.29Å; A290-R337 PolarHBondContact O-NH1 3Å; D291-R337 IonicContact OD1-CZ 2.91Å; D291-R337 VanDerWaalsContact OD1-CZ 3.26Å; D291-R337 IonicContact OD1-NH1 2.76Å; D291-R337 PolarHBondContact OD1-NH1 3Å; D291-R337 IonicContact OD1-NH2 3.79Å; D291-R337 PolarHBondContact OD1-NH2 3.43Å; D294-R337 WeakPolarHBondContact OD2-CD 3.42Å; D294-R337 IonicContact OD2-CZ 3.74Å; D294-R337 IonicContact OD2-NH1 3.4Å; D294-R337 PolarHBondContact OD2-NH1 3.04Å; E333-R337 VanDerWaalsContact O-CG 3.3Å; E333-R337 WeakPolarHBondContact O-CG 3.37Å; E333-R337 PolarHBondContact O-N 3.28Å; E333-R337 IonicContact OE1-CZ 2.9Å; E333-R337 IonicContact OE1-NE 3.38Å; E333-R337 PolarHBondContact OE1-NE 3.12Å; E333-R337 IonicContact OE1-NH2 2.75Å; L334-R337 CarbonylContact O-C 3.55Å; L334-R337 WeakPolarHBondContact O-CB 3.28Å; L334-R337 PolarHBondContact O-N 3.11Å; L335-R337 PolarHBondContact O-N 2.92Å
338	G	98.4	Very high	98.8	Very high	56 Å²	56	33.1 Å²	33.1	58%	0.577	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	20.7	175.6	0	0	0	0	0	114.2	L334 L335 R336	L334-G338 PolarHBondContact O-N 3.31Å; L335-G338 PolarHBondContact O-N 3.24Å; R336-G338 PolarHBondContact O-N 3.42Å
339	W	98.8	Very high	98.7	Very high	8 Å²	8	33 Å²	33	3%	0.03	17%	0.173	C	C	.	.			trans	-63.3	135.5	163.9	-74.2	54.6	0	0	0	109.9	F293 D294 K297 A302 I305 L334 E343 V344 A347	F293-W339 HydrophobicContact CB-CH2 4.1Å; F293-W339 HydrophobicContact CB-CZ2 3.74Å; F293-W339 HydrophobicContact CD1-CH2 4.01Å; F293-W339 HydrophobicContact CD1-CZ2 4.45Å; D294-W339 PolarHBondContact OD1-NE1 3.08Å; K297-W339 HydrophobicContact CB-CH2 4.21Å; K297-W339 HydrophobicContact CB-CZ2 3.9Å; K297-W339 HydrophobicContact CD-CD2 4.2Å; K297-W339 HydrophobicContact CD-CH2 4.14Å; K297-W339 HydrophobicContact CD-CZ2 3.62Å; K297-W339 HydrophobicContact CG-CZ2 4.35Å; A302-W339 HydrophobicContact CB-CZ3 4.3Å; I305-W339 HydrophobicContact CD1-CH2 3.58Å; I305-W339 HydrophobicContact CD1-CZ2 4.31Å; I305-W339 HydrophobicContact CD1-CZ3 4.5Å; I305-W339 HydrophobicContact CG2-CH2 4.35Å; L334-W339 HydrophobicContact CB-CB 4.21Å; L334-W339 HydrophobicContact CB-CD2 4.22Å; L334-W339 HydrophobicContact CB-CG 3.94Å; L334-W339 HydrophobicContact CD2-CD2 4.4Å; L334-W339 HydrophobicContact CD2-CZ2 4.31Å; L334-W339 VanDerWaalsContact O-CB 3.27Å; L334-W339 WeakPolarHBondContact O-CB 3.44Å; L334-W339 VanDerWaalsContact O-CD1 3.22Å; L334-W339 PolarHBondContact O-N 3.15Å; W339-E343 HydrophobicContact CE3-CB 3.75Å; W339-E343 HydrophobicContact CZ3-CB 4.34Å; W339-V344 HydrophobicContact CB-CG2 3.83Å; W339-A347 HydrophobicContact CZ3-CB 4.27Å
340	T	98.8	Very high	98.7	Very high	65 Å²	65	33.5 Å²	33.5	40%	0.399	18%	0.176	S	C	.	.			trans	-73.3	157.9	175.1	60.9	0	0	0	0	110.8	E342 E343 V344	T340-E342 PolarHBondContact O-N 3.28Å; T340-E343 PolarHBondContact N-OE2 3.05Å; T340-E343 PolarHBondContact O-N 3.25Å; T340-E343 VanDerWaalsContact O-N 3.14Å; T340-E343 WeakPolarHBondContact OG1-CB 3.46Å; T340-E343 VanDerWaalsContact OG1-CD 3.27Å; T340-E343 WeakPolarHBondContact OG1-CG 3.05Å; T340-E343 PolarHBondContact OG1-N 2.96Å; T340-E343 PolarHBondContact OG1-OE2 2.88Å; T340-V344 PolarHBondContact O-N 3.48Å
341	D	98.7	Very high	98.7	Very high	46 Å²	46	34 Å²	34	25%	0.246	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-37.3	175.5	-67.5	-28.2	0	0	0	111.5	R30 L34 K345	R30-D341 IonicContact CZ-OD1 3.74Å; R30-D341 IonicContact CZ-OD2 2.64Å; R30-D341 IonicContact NE-OD1 3.82Å; R30-D341 PolarHBondContact NE-OD1 3.39Å; R30-D341 VanDerWaalsContact NE-OD1 3.11Å; R30-D341 IonicContact NE-OD2 3.35Å; R30-D341 PolarHBondContact NE-OD2 3.18Å; R30-D341 VanDerWaalsContact NH2-CG 3.3Å; R30-D341 IonicContact NH2-OD1 2.79Å; R30-D341 IonicContact NH2-OD2 2.62Å; R30-D341 PolarHBondContact NH2-OD2 3.38Å; L34-D341 HydrophobicContact CD1-CB 4.36Å; L34-D341 WeakPolarHBondContact CD1-OD1 3.32Å; L34-D341 HydrophobicContact CD2-CB 3.8Å; D341-K345 WeakPolarHBondContact O-CB 3.28Å; D341-K345 VanDerWaalsContact O-CG 3.23Å; D341-K345 WeakPolarHBondContact O-CG 3.24Å; D341-K345 PolarHBondContact O-N 2.91Å
342	E	98.7	Very high	98.7	Very high	135 Å²	135	34.2 Å²	34.2	63%	0.631	18%	0.179	S	C	*	.	H	α-helix	trans	-64.4	-44.3	176.7	-69	71.9	-159.2	0	0	112.1	T340 K345 A346	T340-E342 PolarHBondContact O-N 3.28Å; E342-K345 PolarHBondContact O-N 3.1Å; E342-A346 VanDerWaalsContact O-CB 3.32Å; E342-A346 WeakPolarHBondContact O-CB 3.39Å; E342-A346 PolarHBondContact O-N 3.38Å
343	E	98.9	Very high	98.7	Very high	46 Å²	46	34.4 Å²	34.4	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-39.2	177.7	-69.3	169.2	139.6	0	0	111.7	K297 A302 W339 T340 A346 A347	K297-E343 WeakPolarHBondContact CE-OE1 3.37Å; K297-E343 IonicContact NZ-OE1 3.71Å; K297-E343 PolarHBondContact NZ-OE1 3.05Å; K297-E343 IonicContact NZ-OE2 2.75Å; K297-E343 PolarHBondContact NZ-OE2 3.38Å; A302-E343 HydrophobicContact CB-CB 3.84Å; A302-E343 HydrophobicContact CB-CG 3.6Å; W339-E343 HydrophobicContact CE3-CB 3.75Å; W339-E343 HydrophobicContact CZ3-CB 4.34Å; T340-E343 PolarHBondContact N-OE2 3.05Å; T340-E343 PolarHBondContact O-N 3.25Å; T340-E343 VanDerWaalsContact O-N 3.14Å; T340-E343 WeakPolarHBondContact OG1-CB 3.46Å; T340-E343 VanDerWaalsContact OG1-CD 3.27Å; T340-E343 WeakPolarHBondContact OG1-CG 3.05Å; T340-E343 PolarHBondContact OG1-N 2.96Å; T340-E343 PolarHBondContact OG1-OE2 2.88Å; E343-A346 VanDerWaalsContact O-CB 3.32Å; E343-A346 WeakPolarHBondContact O-CB 3.25Å; E343-A346 PolarHBondContact O-N 3.36Å; E343-A347 PolarHBondContact O-N 3.02Å
344	V	98.8	Very high	98.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-48.2	173.7	167.3	0	0	0	0	110.5	L34 V331 L334 L335 W339 T340 A346 A347 L348	L34-V344 HydrophobicContact CD1-CB 4.13Å; L34-V344 HydrophobicContact CD1-CG1 3.73Å; V331-V344 HydrophobicContact CG1-CG1 3.53Å; L334-V344 HydrophobicContact CB-CG2 4.41Å; L335-V344 HydrophobicContact CD2-CG2 3.75Å; L335-V344 HydrophobicContact CG-CG2 4.14Å; W339-V344 HydrophobicContact CB-CG2 3.83Å; T340-V344 PolarHBondContact O-N 3.48Å; V344-A346 VanDerWaalsContact C-N 3.26Å; V344-A346 PolarHBondContact O-N 3.41Å; V344-A347 PolarHBondContact O-N 3.32Å; V344-A347 VanDerWaalsContact O-N 3.16Å; V344-L348 HydrophobicContact CG1-CD1 3.75Å; V344-L348 HydrophobicContact CG1-CG 4.09Å; V344-L348 WeakPolarHBondContact O-CB 3.39Å; V344-L348 VanDerWaalsContact O-CG 3.26Å; V344-L348 WeakPolarHBondContact O-CG 3.31Å; V344-L348 PolarHBondContact O-N 3.25Å
345	K	98.8	Very high	98.7	Very high	44 Å²	44	36.8 Å²	36.8	19%	0.191	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-35.3	175.3	-74	175.3	174	173.9	0	112.4	L34 E37 T38 D341 E342 G349 N350	L34-K345 HydrophobicContact CD2-CD 4.35Å; L34-K345 VanDerWaalsContact CD2-CE 3.5Å; L34-K345 HydrophobicContact CD2-CG 4.28Å; E37-K345 WeakPolarHBondContact OE2-CE 3.32Å; E37-K345 IonicContact OE2-NZ 2.71Å; E37-K345 PolarHBondContact OE2-NZ 2.84Å; T38-K345 HydrophobicContact CG2-CB 4.42Å; T38-K345 WeakPolarHBondContact OG1-CG 3.48Å; D341-K345 WeakPolarHBondContact O-CB 3.28Å; D341-K345 VanDerWaalsContact O-CG 3.23Å; D341-K345 WeakPolarHBondContact O-CG 3.24Å; D341-K345 PolarHBondContact O-N 2.91Å; E342-K345 PolarHBondContact O-N 3.1Å; K345-G349 PolarHBondContact O-N 3.3Å; K345-N350 WeakPolarHBondContact O-CB 3.35Å; K345-N350 PolarHBondContact O-N 3.37Å
346	A	98.8	Very high	98.7	Very high	17 Å²	17	36.5 Å²	36.5	14%	0.14	19%	0.186	C	C	.	.	I	π-helix	trans	-56.2	-54.8	172	0	0	0	0	0	110.3	E342 E343 V344 N350 N351	E342-A346 VanDerWaalsContact O-CB 3.32Å; E342-A346 WeakPolarHBondContact O-CB 3.39Å; E342-A346 PolarHBondContact O-N 3.38Å; E343-A346 VanDerWaalsContact O-CB 3.32Å; E343-A346 WeakPolarHBondContact O-CB 3.25Å; E343-A346 PolarHBondContact O-N 3.36Å; V344-A346 VanDerWaalsContact C-N 3.26Å; V344-A346 PolarHBondContact O-N 3.41Å; A346-N350 PolarHBondContact O-N 3.01Å; A346-N351 VanDerWaalsContact C-ND2 3.3Å; A346-N351 VanDerWaalsContact O-CB 3.29Å; A346-N351 WeakPolarHBondContact O-CB 3.23Å; A346-N351 PolarHBondContact O-N 3.34Å; A346-N351 PolarHBondContact O-ND2 2.92Å
347	A	98.8	Very high	98.7	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	18%	0.184	C	C	.	.	I	π-helix	trans	-65.8	-38.6	-180	0	0	0	0	0	113.8	I305 F307 W339 E343 V344 G349	I305-A347 HydrophobicContact CG2-CB 4.44Å; I305-A347 WeakPolarHBondContact O-CA 3.48Å; F307-A347 WeakPolarHBondContact CD2-O 3.09Å; F307-A347 HydrophobicContact CE2-CB 3.99Å; W339-A347 HydrophobicContact CZ3-CB 4.27Å; E343-A347 PolarHBondContact O-N 3.02Å; V344-A347 PolarHBondContact O-N 3.32Å; V344-A347 VanDerWaalsContact O-N 3.16Å; A347-G349 VanDerWaalsContact C-N 3.34Å; A347-G349 PolarHBondContact O-N 3.5Å
348	L	98.8	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-58.2	-43	-177.9	-79	172.5	0	0	0	112.3	L34 M35 T38 L40 I41 F307 V331 V344	L34-L348 HydrophobicContact CB-CD1 4.31Å; M35-L348 HydrophobicContact CE-CD2 4.24Å; M35-L348 HydrophobicContact CG-CD1 3.89Å; M35-L348 HydrophobicContact CG-CD2 3.77Å; M35-L348 HydrophobicContact SD-CD2 4.48Å; T38-L348 HydrophobicContact CG2-CB 4.1Å; L40-L348 CarbonylContact C-O 3.6Å; L40-L348 VanDerWaalsContact CA-O 3.29Å; L40-L348 WeakPolarHBondContact CA-O 3.35Å; L40-L348 HydrophobicContact CB-CD2 3.98Å; L40-L348 HydrophobicContact CD1-CD2 3.91Å; L40-L348 HydrophobicContact CG-CD2 4.24Å; I41-L348 PolarHBondContact N-O 3.44Å; F307-L348 HydrophobicContact CE2-CD2 4.01Å; F307-L348 HydrophobicContact CE2-CG 4.44Å; F307-L348 HydrophobicContact CZ-CD2 4.42Å; V331-L348 HydrophobicContact CG2-CD2 3.79Å; V344-L348 HydrophobicContact CG1-CD1 3.75Å; V344-L348 HydrophobicContact CG1-CG 4.09Å; V344-L348 WeakPolarHBondContact O-CB 3.39Å; V344-L348 VanDerWaalsContact O-CG 3.26Å; V344-L348 WeakPolarHBondContact O-CG 3.31Å; V344-L348 PolarHBondContact O-N 3.25Å
349	G	98	Very high	98.8	Very high	1 Å²	1	34 Å²	34	1%	0.01	16%	0.163	C	C	.	.	I	π-helix	trans	-170.5	-22.6	-179.4	0	0	0	0	0	115.6	K345 A347 N351 L352 L353	K345-G349 PolarHBondContact O-N 3.3Å; A347-G349 VanDerWaalsContact C-N 3.34Å; A347-G349 PolarHBondContact O-N 3.5Å; G349-N351 VanDerWaalsContact C-N 3.29Å; G349-N351 PolarHBondContact O-N 3.01Å; G349-L352 PolarHBondContact O-N 2.78Å; G349-L353 WeakPolarHBondContact O-CG 3.41Å; G349-L353 PolarHBondContact O-N 3.07Å
350	N	98.8	Very high	98.8	Very high	68 Å²	68	34.8 Å²	34.8	36%	0.364	17%	0.167	S	C	.	.	I	π-helix	trans	-63.5	-34.7	-176.4	-73.5	-20.8	0	0	0	112.6	K345 A346 R354	K345-N350 WeakPolarHBondContact O-CB 3.35Å; K345-N350 PolarHBondContact O-N 3.37Å; A346-N350 PolarHBondContact O-N 3.01Å; N350-R354 WeakPolarHBondContact O-CB 3.04Å; N350-R354 PolarHBondContact O-N 3.03Å
351	N	98.9	Very high	98.8	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.059	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-44.9	176.5	-72.6	-20.4	0	0	0	112	I268 A302 G303 I305 A346 G349 R354 V355	I268-N351 HydrophobicContact CD1-CB 3.69Å; I268-N351 HydrophobicContact CG1-CB 4.43Å; A302-N351 PolarHBondContact O-ND2 2.93Å; G303-N351 WeakPolarHBondContact CA-OD1 3.43Å; G303-N351 VanDerWaalsContact O-CG 3.25Å; G303-N351 PolarHBondContact O-OD1 3.23Å; I305-N351 PolarHBondContact O-ND2 3.41Å; A346-N351 VanDerWaalsContact C-ND2 3.3Å; A346-N351 VanDerWaalsContact O-CB 3.29Å; A346-N351 WeakPolarHBondContact O-CB 3.23Å; A346-N351 PolarHBondContact O-N 3.34Å; A346-N351 PolarHBondContact O-ND2 2.92Å; G349-N351 VanDerWaalsContact C-N 3.29Å; G349-N351 PolarHBondContact O-N 3.01Å; N351-R354 WeakPolarHBondContact O-CB 3.37Å; N351-R354 PolarHBondContact O-N 2.93Å; N351-V355 WeakPolarHBondContact O-CG2 3.43Å; N351-V355 PolarHBondContact O-N 3.18Å
352	L	98.9	Very high	98.8	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-41.1	178.4	-178	63.2	0	0	0	111.4	I41 F86 I238 I268 M270 G349 R354 V355 M356	I41-L352 HydrophobicContact CB-CD2 3.86Å; I41-L352 HydrophobicContact CD1-CD2 4.33Å; I41-L352 HydrophobicContact CG2-CD2 3.32Å; F86-L352 HydrophobicContact CD2-CD2 4.36Å; F86-L352 HydrophobicContact CE2-CD2 3.89Å; I238-L352 HydrophobicContact CG2-CD1 4.5Å; I268-L352 HydrophobicContact CD1-CB 4.11Å; I268-L352 HydrophobicContact CG2-CD1 4.45Å; M270-L352 HydrophobicContact CE-CD1 4.37Å; M270-L352 HydrophobicContact CE-CD2 3.72Å; M270-L352 HydrophobicContact SD-CD1 4.13Å; M270-L352 HydrophobicContact SD-CD2 4.5Å; G349-L352 PolarHBondContact O-N 2.78Å; L352-R354 VanDerWaalsContact C-N 3.3Å; L352-R354 PolarHBondContact O-N 2.85Å; L352-V355 PolarHBondContact O-N 2.66Å; L352-M356 HydrophobicContact CD1-CG 4.45Å; L352-M356 HydrophobicContact CG-CG 4.47Å; L352-M356 HydrophobicContact CG-SD 4.46Å; L352-M356 WeakPolarHBondContact O-CG 3.31Å; L352-M356 PolarHBondContact O-N 3.06Å
353	L	98.9	Very high	98.8	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-39.5	174	-73.4	172.4	0	0	0	111.8	I41 I131 G349 R357	I41-L353 HydrophobicContact CD1-CD1 4.33Å; I41-L353 HydrophobicContact CD1-CD2 4.18Å; I41-L353 HydrophobicContact CD1-CG 3.84Å; I131-L353 HydrophobicContact CB-CD2 4.1Å; I131-L353 HydrophobicContact CD1-CD2 4.12Å; I131-L353 HydrophobicContact CG2-CD2 3.94Å; G349-L353 WeakPolarHBondContact O-CG 3.41Å; G349-L353 PolarHBondContact O-N 3.07Å; L353-R357 WeakPolarHBondContact O-CB 3.32Å; L353-R357 VanDerWaalsContact O-CG 3.23Å; L353-R357 WeakPolarHBondContact O-CG 3.42Å; L353-R357 PolarHBondContact O-N 3.02Å
354	R	98.8	Very high	98.7	Very high	79 Å²	79	34.1 Å²	34.1	30%	0.298	16%	0.157	S	C	.	.	H	α-helix	trans	-58.2	-51.1	172.1	174	-173.5	68.5	80.9	1.5	110.9	G266 G267 G303 N350 N351 L352 R357 E358	G266-R354 VanDerWaalsContact O-CZ 3.27Å; G266-R354 PolarHBondContact O-NH1 2.94Å; G266-R354 PolarHBondContact O-NH2 2.75Å; G267-R354 PolarHBondContact O-NH2 2.89Å; G303-R354 PolarHBondContact O-NH2 3.04Å; N350-R354 WeakPolarHBondContact O-CB 3.04Å; N350-R354 PolarHBondContact O-N 3.03Å; N351-R354 WeakPolarHBondContact O-CB 3.37Å; N351-R354 PolarHBondContact O-N 2.93Å; L352-R354 VanDerWaalsContact C-N 3.3Å; L352-R354 PolarHBondContact O-N 2.85Å; R354-R357 PolarHBondContact O-N 3.38Å; R354-E358 PolarHBondContact O-N 3.26Å
355	V	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-46	180	168.8	0	0	0	0	111.4	L215 P236 I238 G266 I268 N351 L352 R357 E358 V359	L215-V355 HydrophobicContact CD2-CG1 3.61Å; P236-V355 HydrophobicContact CB-CG1 4.16Å; P236-V355 HydrophobicContact CB-CG2 4.34Å; I238-V355 HydrophobicContact CG2-CG1 3.86Å; G266-V355 WeakPolarHBondContact O-CG2 3.45Å; I268-V355 HydrophobicContact CB-CG2 4.14Å; I268-V355 HydrophobicContact CG2-CB 4.41Å; I268-V355 HydrophobicContact CG2-CG1 4.43Å; I268-V355 HydrophobicContact CG2-CG2 3.95Å; N351-V355 WeakPolarHBondContact O-CG2 3.43Å; N351-V355 PolarHBondContact O-N 3.18Å; L352-V355 PolarHBondContact O-N 2.66Å; V355-R357 PolarHBondContact O-N 3.49Å; V355-E358 PolarHBondContact O-N 2.81Å; V355-V359 HydrophobicContact CG1-CG2 4.5Å; V355-V359 WeakPolarHBondContact O-CG2 3.4Å; V355-V359 PolarHBondContact O-N 3.06Å
356	M	98.9	Very high	98.6	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-45.3	176.8	-74.3	-172.4	73.7	0	0	112.5	F86 I131 L143 L215 L352 E358 V359 E360	F86-M356 HydrophobicContact CE2-SD 4.27Å; F86-M356 HydrophobicContact CZ-CE 4.24Å; F86-M356 HydrophobicContact CZ-SD 4.01Å; I131-M356 HydrophobicContact CD1-CE 3.92Å; I131-M356 HydrophobicContact CD1-SD 3.45Å; I131-M356 WeakPolarHBondContact CD1-SD 3.49Å; L143-M356 HydrophobicContact CD2-CE 3.81Å; L215-M356 HydrophobicContact CD1-CG 4Å; L215-M356 HydrophobicContact CD2-CG 4.37Å; L352-M356 HydrophobicContact CD1-CG 4.45Å; L352-M356 HydrophobicContact CG-CG 4.47Å; L352-M356 HydrophobicContact CG-SD 4.46Å; L352-M356 WeakPolarHBondContact O-CG 3.31Å; L352-M356 PolarHBondContact O-N 3.06Å; M356-E358 PolarHBondContact O-N 3.21Å; M356-V359 PolarHBondContact O-N 3.48Å; M356-E360 WeakPolarHBondContact O-CB 3.35Å; M356-E360 VanDerWaalsContact O-CG 3.25Å; M356-E360 WeakPolarHBondContact O-CG 3.23Å; M356-E360 PolarHBondContact O-N 3.28Å
357	R	98.9	Very high	98.2	Very high	97 Å²	97	42.6 Å²	42.6	37%	0.366	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-39.9	178.2	-71.8	176.9	-160.7	122.7	-6.1	112.2	S128 E132 L353 R354 V355 E360 K361	S128-R357 WeakPolarHBondContact OG-CG 3.4Å; E132-R357 IonicContact OE1-CZ 3.11Å; E132-R357 IonicContact OE1-NE 3.56Å; E132-R357 IonicContact OE1-NH2 3.77Å; E132-R357 PolarHBondContact OE1-NH2 3.14Å; L353-R357 WeakPolarHBondContact O-CB 3.32Å; L353-R357 VanDerWaalsContact O-CG 3.23Å; L353-R357 WeakPolarHBondContact O-CG 3.42Å; L353-R357 PolarHBondContact O-N 3.02Å; R354-R357 PolarHBondContact O-N 3.38Å; V355-R357 PolarHBondContact O-N 3.49Å; R357-E360 PolarHBondContact O-N 3.05Å; R357-K361 VanDerWaalsContact O-CB 3.28Å; R357-K361 WeakPolarHBondContact O-CB 3.23Å; R357-K361 PolarHBondContact O-N 2.63Å
358	E	98.9	Very high	97.8	Very high	75 Å²	75	49 Å²	49	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-68.8	-37.2	176.4	-69.2	-55.4	134.4	0	0	112	P236 R354 V355 M356 K361 V362	P236-E358 HydrophobicContact CG-CB 3.94Å; R354-E358 PolarHBondContact O-N 3.26Å; V355-E358 PolarHBondContact O-N 2.81Å; M356-E358 PolarHBondContact O-N 3.21Å; E358-K361 PolarHBondContact O-N 3.25Å; E358-K361 IonicContact OE1-NZ 2.63Å; E358-K361 IonicContact OE2-NZ 3.31Å; E358-K361 PolarHBondContact OE2-NZ 3.43Å; E358-V362 WeakPolarHBondContact O-CG2 3.49Å; E358-V362 PolarHBondContact O-N 3.05Å
359	V	98.9	Very high	97.5	Very high	4 Å²	4	52 Å²	52	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-44.1	173.3	169.1	0	0	0	0	111.7	G213 L215 A235 P236 V355 M356 K361 V362 R363	G213-V359 WeakPolarHBondContact O-CG1 3.46Å; L215-V359 HydrophobicContact CD2-CB 4.34Å; L215-V359 HydrophobicContact CD2-CG2 3.76Å; A235-V359 HydrophobicContact CB-CB 4.41Å; A235-V359 HydrophobicContact CB-CG2 3.76Å; P236-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 HydrophobicContact CG1-CG2 4.5Å; V355-V359 WeakPolarHBondContact O-CG2 3.4Å; V355-V359 PolarHBondContact O-N 3.06Å; M356-V359 PolarHBondContact O-N 3.48Å; V359-K361 VanDerWaalsContact C-N 3.32Å; V359-K361 PolarHBondContact O-N 3.03Å; V359-V362 PolarHBondContact O-N 2.85Å; V359-R363 PolarHBondContact O-N 3.14Å
360	E	98.9	Very high	97.1	Very high	25 Å²	25	56.8 Å²	56.8	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-39.4	174.8	-72.2	166.7	167.8	0	0	111.8	S127 S128 M356 R357 R363 D364	S127-E360 WeakPolarHBondContact CA-OE1 3.4Å; S127-E360 VanDerWaalsContact CB-OE1 3.24Å; S127-E360 WeakPolarHBondContact CB-OE1 3.43Å; S128-E360 WeakPolarHBondContact CB-OE2 3.32Å; S128-E360 PolarHBondContact N-OE1 2.99Å; S128-E360 PolarHBondContact OG-OE2 3.49Å; M356-E360 WeakPolarHBondContact O-CB 3.35Å; M356-E360 VanDerWaalsContact O-CG 3.25Å; M356-E360 WeakPolarHBondContact O-CG 3.23Å; M356-E360 PolarHBondContact O-N 3.28Å; R357-E360 PolarHBondContact O-N 3.05Å; E360-R363 WeakPolarHBondContact O-CB 3.32Å; E360-R363 PolarHBondContact O-N 3.24Å; E360-D364 PolarHBondContact O-N 3.13Å
361	K	98.8	Very high	96.5	Very high	115 Å²	115	57.6 Å²	57.6	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-41.4	175	-179.9	-177	170.4	-165.1	0	111.8	R357 E358 V359 D364 T365	R357-K361 VanDerWaalsContact O-CB 3.28Å; R357-K361 WeakPolarHBondContact O-CB 3.23Å; R357-K361 PolarHBondContact O-N 2.63Å; E358-K361 PolarHBondContact O-N 3.25Å; E358-K361 IonicContact OE1-NZ 2.63Å; E358-K361 IonicContact OE2-NZ 3.31Å; E358-K361 PolarHBondContact OE2-NZ 3.43Å; V359-K361 VanDerWaalsContact C-N 3.32Å; V359-K361 PolarHBondContact O-N 3.03Å; K361-D364 PolarHBondContact O-N 3.49Å; K361-D364 VanDerWaalsContact O-N 3.17Å; K361-T365 WeakPolarHBondContact O-CG2 3.02Å; K361-T365 PolarHBondContact O-N 3.44Å
362	V	98.6	Very high	96.1	Very high	20 Å²	20	60 Å²	60	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-46.4	174.7	169.4	0	0	0	0	110.7	N210 K234 A235 E358 V359 D364 T365 M366	N210-V362 HydrophobicContact CB-CG1 4.36Å; K234-V362 HydrophobicContact CB-CG1 4.06Å; K234-V362 WeakPolarHBondContact O-CG2 3.23Å; A235-V362 HydrophobicContact CB-CB 4.01Å; A235-V362 HydrophobicContact CB-CG1 4.2Å; A235-V362 HydrophobicContact CB-CG2 3.8Å; E358-V362 WeakPolarHBondContact O-CG2 3.49Å; E358-V362 PolarHBondContact O-N 3.05Å; V359-V362 PolarHBondContact O-N 2.85Å; V362-D364 VanDerWaalsContact C-N 3.28Å; V362-D364 PolarHBondContact O-N 2.92Å; V362-T365 PolarHBondContact O-N 2.85Å; V362-T365 VanDerWaalsContact O-N 3.16Å; V362-T365 PolarHBondContact O-OG1 2.04Å; V362-M366 HydrophobicContact CG1-CG 4.45Å; V362-M366 HydrophobicContact CG1-SD 3.81Å; V362-M366 WeakPolarHBondContact O-CG 3.46Å; V362-M366 PolarHBondContact O-N 3.5Å; V362-M366 VanDerWaalsContact O-N 3.08Å
363	R	98.2	Very high	95.8	Very high	63 Å²	63	64.3 Å²	64.3	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-51	-49.5	171.3	173.5	-158.8	70.6	-154.2	-7.2	111.6	R211 L212 V359 E360 T365 M366 L367	R211-R363 WeakPolarHBondContact O-CG 2.96Å; L212-R363 WeakPolarHBondContact O-CD 3.46Å; L212-R363 WeakPolarHBondContact O-CG 3.27Å; V359-R363 PolarHBondContact O-N 3.14Å; E360-R363 WeakPolarHBondContact O-CB 3.32Å; E360-R363 PolarHBondContact O-N 3.24Å; R363-T365 VanDerWaalsContact C-N 3.3Å; R363-T365 PolarHBondContact O-N 3.2Å; R363-M366 CarbonylContact O-C 3.58Å; R363-M366 WeakPolarHBondContact O-CA 3.34Å; R363-M366 PolarHBondContact O-N 3.28Å; R363-L367 PolarHBondContact O-N 3.34Å
364	D	98.1	Very high	95.7	Very high	79 Å²	79	66.6 Å²	66.6	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-33.8	-176.6	-65.1	-15	0	0	0	112.2	E360 K361 V362 M366 L367	E360-D364 PolarHBondContact O-N 3.13Å; K361-D364 PolarHBondContact O-N 3.49Å; K361-D364 VanDerWaalsContact O-N 3.17Å; V362-D364 VanDerWaalsContact C-N 3.28Å; V362-D364 PolarHBondContact O-N 2.92Å; D364-M366 VanDerWaalsContact C-N 3.27Å; D364-M366 PolarHBondContact O-N 2.96Å; D364-L367 WeakPolarHBondContact O-CD1 3.25Å; D364-L367 WeakPolarHBondContact O-CG 3.4Å
365	T	98	Very high	95.6	Very high	99 Å²	99	66.8 Å²	66.8	61%	0.607	36%	0.364	S	S	*	.	H	α-helix	trans	-71.8	-20.7	172.2	65.2	0	0	0	0	113.6	K361 V362 R363	K361-T365 WeakPolarHBondContact O-CG2 3.02Å; K361-T365 PolarHBondContact O-N 3.44Å; V362-T365 PolarHBondContact O-N 2.85Å; V362-T365 VanDerWaalsContact O-N 3.16Å; V362-T365 PolarHBondContact O-OG1 2.04Å; R363-T365 VanDerWaalsContact C-N 3.3Å; R363-T365 PolarHBondContact O-N 3.2Å
366	M	97	Very high	95.5	Very high	12 Å²	12	66.9 Å²	66.9	6%	0.059	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.9	-176.1	-68.7	-175	67.6	0	0	113.6	N210 R211 K234 V362 R363 D364 T368 T369	N210-M366 HydrophobicContact CB-SD 4.23Å; R211-M366 HydrophobicContact CB-CE 3.8Å; R211-M366 HydrophobicContact CG-CB 4.16Å; R211-M366 HydrophobicContact CG-CE 4.12Å; K234-M366 HydrophobicContact CD-CE 4.32Å; K234-M366 HydrophobicContact CD-SD 3.91Å; V362-M366 HydrophobicContact CG1-CG 4.45Å; V362-M366 HydrophobicContact CG1-SD 3.81Å; V362-M366 WeakPolarHBondContact O-CG 3.46Å; V362-M366 PolarHBondContact O-N 3.5Å; V362-M366 VanDerWaalsContact O-N 3.08Å; R363-M366 CarbonylContact O-C 3.58Å; R363-M366 WeakPolarHBondContact O-CA 3.34Å; R363-M366 PolarHBondContact O-N 3.28Å; D364-M366 VanDerWaalsContact C-N 3.27Å; D364-M366 PolarHBondContact O-N 2.96Å; M366-T368 PolarHBondContact O-N 3.07Å; M366-T368 VanDerWaalsContact O-N 3.11Å; M366-T369 HydrophobicContact CE-CG2 4.29Å; M366-T369 WeakPolarHBondContact O-CB 3.48Å; M366-T369 PolarHBondContact O-N 2.86Å; M366-T369 PolarHBondContact O-OG1 2.91Å; M366-T369 VanDerWaalsContact O-OG1 3.09Å
367	L	90.6	Very high	95.4	Very high	129 Å²	129	70 Å²	70	68%	0.675	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.4	-177.3	-70.5	173	0	0	0	114.3	R363 D364	R363-L367 PolarHBondContact O-N 3.34Å; D364-L367 WeakPolarHBondContact O-CD1 3.25Å; D364-L367 WeakPolarHBondContact O-CG 3.4Å
368	T	90.6	Very high	95.1	Very high	138 Å²	138	68.6 Å²	68.6	85%	0.847	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.3	178	61	0	0	0	0	113.4	M366 S370	M366-T368 PolarHBondContact O-N 3.07Å; M366-T368 VanDerWaalsContact O-N 3.11Å; T368-S370 PolarHBondContact O-N 3.4Å
369	T	91.1	Very high	94.9	Very high	61 Å²	61	70.9 Å²	70.9	37%	0.374	40%	0.395	S	S	.	.	S	Bend	trans	-71.4	126.8	176.5	-53.3	0	0	0	0	108.7	M366	M366-T369 HydrophobicContact CE-CG2 4.29Å; M366-T369 WeakPolarHBondContact O-CB 3.48Å; M366-T369 PolarHBondContact O-N 2.86Å; M366-T369 PolarHBondContact O-OG1 2.91Å; M366-T369 VanDerWaalsContact O-OG1 3.09Å
370	S	89.6	Confident	94.7	Very high	102 Å²	102	75 Å²	75	71%	0.713	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-60	139.9	175.8	53.7	0	0	0	0	111.1	T368 D372	T368-S370 PolarHBondContact O-N 3.4Å; S370-D372 PolarHBondContact O-N 2.62Å
371	L	87.8	Confident	94.4	Very high	85 Å²	85	73.9 Å²	73.9	45%	0.445	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-61.2	128.2	171.7	-68.1	163.3	0	0	0	110
372	D	90.1	Very high	93.8	Very high	62 Å²	62	77.1 Å²	77.1	33%	0.332	43%	0.426	S	S	.	.			trans	-88	107.8	161.5	-173.3	-2.1	0	0	0	108	L156 K204 S370 S374	L156-D372 VanDerWaalsContact CD1-O 3.28Å; L156-D372 WeakPolarHBondContact CD1-O 3.34Å; K204-D372 WeakPolarHBondContact CD-OD2 3.3Å; K204-D372 WeakPolarHBondContact CE-OD2 3.48Å; K204-D372 IonicContact NZ-OD1 3.65Å; K204-D372 PolarHBondContact NZ-OD1 2.78Å; K204-D372 IonicContact NZ-OD2 3.52Å; K204-D372 PolarHBondContact NZ-OD2 2.83Å; S370-D372 PolarHBondContact O-N 2.62Å; D372-S374 WeakPolarHBondContact OD1-CB 3.24Å; D372-S374 PolarHBondContact OD1-N 3.36Å; D372-S374 PolarHBondContact OD1-OG 3.2Å
373	D	92	Very high	93.5	Very high	93 Å²	93	76.8 Å²	76.8	50%	0.497	42%	0.423	S	S	.	.			trans	-104.4	13.9	178.8	-69.3	-39.7	0	0	0	112.4	R160	R160-D373 IonicContact CZ-OD1 3.63Å; R160-D373 VanDerWaalsContact CZ-OD1 3.23Å; R160-D373 IonicContact NH1-OD1 3.52Å; R160-D373 PolarHBondContact NH1-OD1 3.17Å; R160-D373 IonicContact NH2-OD1 3.27Å; R160-D373 PolarHBondContact NH2-OD1 3.27Å
374	S	96.3	Very high	93.2	Very high	54 Å²	54	79.6 Å²	79.6	38%	0.378	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-66.8	124.6	176.8	-47.5	0	0	0	0	109.8	K204 D372	K204-S374 VanDerWaalsContact NZ-CB 3.28Å; K204-S374 PolarHBondContact NZ-OG 3.03Å; D372-S374 WeakPolarHBondContact OD1-CB 3.24Å; D372-S374 PolarHBondContact OD1-N 3.36Å; D372-S374 PolarHBondContact OD1-OG 3.2Å
375	P	97.3	Very high	93.1	Very high	84 Å²	84	80 Å²	80	55%	0.545	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-75.1	163	-179.7	32.5	-36	0	0	0	111.6	Y391	P375-Y391 HydrophobicContact CB-CE1 4.17Å; P375-Y391 HydrophobicContact CG-CE1 3.98Å
376	I	97.4	Very high	92.9	Very high	1 Å²	1	77.5 Å²	77.5	1%	0.005	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-57	142.1	164	-168.4	163.8	0	0	0	109.4	P179 W180 F201 Y378 D380 V381 Y391	P179-I376 HydrophobicContact CB-CD1 3.83Å; W180-I376 HydrophobicContact CB-CD1 4.38Å; F201-I376 HydrophobicContact CB-CB 4.29Å; F201-I376 HydrophobicContact CB-CD1 4.16Å; F201-I376 HydrophobicContact CB-CG1 3.93Å; F201-I376 HydrophobicContact CD1-CB 3.88Å; F201-I376 HydrophobicContact CD1-CD1 3.7Å; F201-I376 HydrophobicContact CD1-CG1 4Å; F201-I376 VanDerWaalsContact CD2-CA 3.44Å; F201-I376 HydrophobicContact CD2-CB 3.58Å; F201-I376 HydrophobicContact CD2-CG1 4.19Å; F201-I376 HydrophobicContact CE1-CB 4.05Å; F201-I376 HydrophobicContact CE1-CD1 4.29Å; F201-I376 HydrophobicContact CE2-CB 3.78Å; F201-I376 HydrophobicContact CG-CB 3.62Å; F201-I376 HydrophobicContact CG-CD1 3.95Å; F201-I376 HydrophobicContact CG-CG1 3.76Å; F201-I376 HydrophobicContact CZ-CB 4Å; I376-Y378 PolarHBondContact O-N 2.85Å; I376-D380 HydrophobicContact CD1-CB 4.26Å; I376-D380 HydrophobicContact CG1-CB 4.09Å; I376-V381 HydrophobicContact CB-CG2 4.44Å; I376-V381 HydrophobicContact CD1-CG2 3.56Å; I376-V381 HydrophobicContact CG1-CG2 4.04Å; I376-V381 HydrophobicContact CG2-CG2 3.59Å; I376-Y391 WeakPolarHBondContact O-CE1 3.41Å; I376-Y391 PolarHBondContact O-OH 2.94Å; I376-Y391 VanDerWaalsContact O-OH 3.06Å
377	P	95.9	Very high	92.9	Very high	73 Å²	73	81.7 Å²	81.7	47%	0.474	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-53.9	141.4	174	-26.7	35.6	0	0	0	112	D379 D380	P377-D379 VanDerWaalsContact C-N 3.28Å; P377-D379 PolarHBondContact O-N 3.28Å; P377-D380 HydrophobicContact CB-CB 4.43Å; P377-D380 WeakPolarHBondContact CB-OD2 3.3Å; P377-D380 WeakPolarHBondContact CD-OD2 3.47Å; P377-D380 VanDerWaalsContact CG-OD2 3.23Å; P377-D380 WeakPolarHBondContact CG-OD2 3.27Å; P377-D380 PolarHBondContact O-N 2.99Å
378	Y	94	Very high	93.1	Very high	67 Å²	67	77.7 Å²	77.7	26%	0.263	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-59.6	-40.6	-173.6	-174	-102.3	0	0	0	112.4	I376 D380 V381 R386 Y391 V393	I376-Y378 PolarHBondContact O-N 2.85Å; Y378-D380 VanDerWaalsContact C-N 3.28Å; Y378-D380 PolarHBondContact O-N 3.33Å; Y378-V381 PolarHBondContact O-N 3.09Å; Y378-R386 VanDerWaalsContact CE2-NH2 3.31Å; Y378-R386 PolarHBondContact O-NH2 3.26Å; Y378-Y391 HydrophobicContact CD2-CD1 4.18Å; Y378-Y391 AromaticContact CD2-CD2 3.48Å; Y378-Y391 HydrophobicContact CD2-CD2 3.48Å; Y378-Y391 VanDerWaalsContact CD2-CD2 3.48Å; Y378-Y391 HydrophobicContact CD2-CE1 4.42Å; Y378-Y391 AromaticContact CD2-CE2 3.78Å; Y378-Y391 HydrophobicContact CD2-CE2 3.78Å; Y378-Y391 AromaticContact CD2-CG 3.68Å; Y378-Y391 HydrophobicContact CD2-CG 3.68Å; Y378-Y391 HydrophobicContact CE2-CD2 4.19Å; Y378-Y391 HydrophobicContact CG-CD1 4.32Å; Y378-Y391 HydrophobicContact CG-CD2 4.35Å; Y378-Y391 HydrophobicContact CG-CG 4.1Å; Y378-V393 HydrophobicContact CD1-CG2 4.3Å; Y378-V393 HydrophobicContact CE1-CG2 4.34Å
379	D	92.9	Very high	93.3	Very high	123 Å²	123	80.8 Å²	80.8	66%	0.658	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-76	-15.9	-174.4	-64.6	-30.5	0	0	0	113.6	P377 V381	P377-D379 VanDerWaalsContact C-N 3.28Å; P377-D379 PolarHBondContact O-N 3.28Å; D379-V381 VanDerWaalsContact C-N 3.28Å; D379-V381 PolarHBondContact O-N 3.41Å
380	D	94.4	Very high	93.4	Very high	89 Å²	89	82 Å²	82	48%	0.476	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-75.2	-20.1	177.3	-66	-8.4	0	0	0	111.6	I376 P377 Y378	I376-D380 HydrophobicContact CD1-CB 4.26Å; I376-D380 HydrophobicContact CG1-CB 4.09Å; P377-D380 HydrophobicContact CB-CB 4.43Å; P377-D380 WeakPolarHBondContact CB-OD2 3.3Å; P377-D380 WeakPolarHBondContact CD-OD2 3.47Å; P377-D380 VanDerWaalsContact CG-OD2 3.23Å; P377-D380 WeakPolarHBondContact CG-OD2 3.27Å; P377-D380 PolarHBondContact O-N 2.99Å; Y378-D380 VanDerWaalsContact C-N 3.28Å; Y378-D380 PolarHBondContact O-N 3.33Å
381	V	92.9	Very high	93.6	Very high	3 Å²	3	80.4 Å²	80.4	2%	0.018	45%	0.448	C	S	.	.			trans	-116.3	92.8	179.7	-174.9	0	0	0	0	110.4	Y97 P179 I376 Y378 D379 N383 R386	Y97-V381 HydrophobicContact CD1-CG1 4.5Å; Y97-V381 HydrophobicContact CE1-CG1 4.18Å; P179-V381 HydrophobicContact CB-CG2 3.77Å; P179-V381 HydrophobicContact CG-CB 4.4Å; P179-V381 HydrophobicContact CG-CG1 4.2Å; P179-V381 HydrophobicContact CG-CG2 3.92Å; I376-V381 HydrophobicContact CB-CG2 4.44Å; I376-V381 HydrophobicContact CD1-CG2 3.56Å; I376-V381 HydrophobicContact CG1-CG2 4.04Å; I376-V381 HydrophobicContact CG2-CG2 3.59Å; Y378-V381 PolarHBondContact O-N 3.09Å; D379-V381 VanDerWaalsContact C-N 3.28Å; D379-V381 PolarHBondContact O-N 3.41Å; V381-N383 HydrophobicContact CG1-CB 4.12Å; V381-N383 PolarHBondContact O-N 3.4Å; V381-N383 VanDerWaalsContact O-N 3.12Å; V381-R386 VanDerWaalsContact CG1-NH1 3.34Å; V381-R386 PolarHBondContact O-NH2 2.94Å
382	K	87.5	Confident	93.4	Very high	182 Å²	182	83.3 Å²	83.3	79%	0.791	47%	0.47	S	S	*	.			trans	-86.2	77.4	178.3	-63.8	178.2	-175.5	170.1	0	111
383	N	90.7	Very high	92.3	Very high	14 Å²	14	83.4 Å²	83.4	8%	0.075	47%	0.472	C	S	.	.			trans	-114.2	115.3	-179	178.1	-3.5	0	0	0	110.8	Y97 V381 C385 R386	Y97-N383 WeakPolarHBondContact CA-ND2 3.42Å; Y97-N383 HydrophobicContact CD1-CB 3.75Å; Y97-N383 HydrophobicContact CG-CB 4.2Å; Y97-N383 PolarHBondContact O-OD1 2.78Å; V381-N383 HydrophobicContact CG1-CB 4.12Å; V381-N383 PolarHBondContact O-N 3.4Å; V381-N383 VanDerWaalsContact O-N 3.12Å; N383-C385 PolarHBondContact O-N 3.35Å; N383-C385 WeakPolarHBondContact OD1-CA 3.42Å; N383-C385 WeakPolarHBondContact OD1-CB 3.49Å; N383-C385 PolarHBondContact OD1-N 3.12Å; N383-R386 HydrophobicContact CB-CB 4.49Å; N383-R386 HydrophobicContact CB-CG 4.02Å; N383-R386 WeakPolarHBondContact O-CG 3.45Å
384	P	92.8	Very high	90.5	Very high	121 Å²	121	85.3 Å²	85.3	79%	0.786	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.5	178.4	30.6	-35.3	0	0	0	113.9
385	C	96.1	Very high	88.3	Confident	89 Å²	89	86 Å²	86	60%	0.601	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	12.6	-179.8	-65.7	0	0	0	0	113.6	Y97 N383	Y97-C385 WeakPolarHBondContact O-CB 3.38Å; N383-C385 PolarHBondContact O-N 3.35Å; N383-C385 WeakPolarHBondContact OD1-CA 3.42Å; N383-C385 WeakPolarHBondContact OD1-CB 3.49Å; N383-C385 PolarHBondContact OD1-N 3.12Å
386	R	94.9	Very high	85.7	Confident	46 Å²	46	85.9 Å²	85.9	17%	0.174	52%	0.515	C	S	.	.			trans	-120.2	160.4	176.1	81.7	176.3	-163.6	170.1	3.6	113.1	Y378 V381 N383	Y378-R386 VanDerWaalsContact CE2-NH2 3.31Å; Y378-R386 PolarHBondContact O-NH2 3.26Å; V381-R386 VanDerWaalsContact CG1-NH1 3.34Å; V381-R386 PolarHBondContact O-NH2 2.94Å; N383-R386 HydrophobicContact CB-CB 4.49Å; N383-R386 HydrophobicContact CB-CG 4.02Å; N383-R386 WeakPolarHBondContact O-CG 3.45Å
387	T	95.3	Very high	83	Confident	99 Å²	99	92 Å²	92	61%	0.607	55%	0.551	S	S	*	*			trans	-107.1	164.3	172	53.5	0	0	0	0	110.7	Y389	T387-Y389 HydrophobicContact CG2-CE2 4.25Å; T387-Y389 VanDerWaalsContact OG1-CD2 3.27Å; T387-Y389 WeakPolarHBondContact OG1-CD2 3.4Å
388	S	94.7	Very high	80.4	Confident	45 Å²	45	99 Å²	99	32%	0.315	57%	0.569	S	S	.	*			trans	-100.9	17.9	-173.5	62.6	0	0	0	0	115	G390 Y391	S388-G390 PolarHBondContact O-N 2.8Å; S388-Y391 PolarHBondContact O-N 3.49Å
389	Y	95	Very high	78.1	Confident	203 Å²	203	100.5 Å²	100.5	80%	0.796	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	136.1	179.6	-65.1	-65.4	0	0	0	111.3	T387 Y391	T387-Y389 HydrophobicContact CG2-CE2 4.25Å; T387-Y389 VanDerWaalsContact OG1-CD2 3.27Å; T387-Y389 WeakPolarHBondContact OG1-CD2 3.4Å; Y389-Y391 VanDerWaalsContact C-N 3.31Å; Y389-Y391 PolarHBondContact O-N 3.28Å
390	G	94.2	Very high	75.8	Confident	88 Å²	88	101 Å²	101	91%	0.907	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.2	-18.8	-175.5	0	0	0	0	0	114.9	S388	S388-G390 PolarHBondContact O-N 2.8Å
391	Y	93	Very high	73.7	Confident	67 Å²	67	98.9 Å²	98.9	26%	0.263	58%	0.583	S	S	.	*	S	Bend	trans	-93.1	136.1	174	-62.3	-87	0	0	0	111.4	P375 I376 Y378 S388 Y389 V393	P375-Y391 HydrophobicContact CB-CE1 4.17Å; P375-Y391 HydrophobicContact CG-CE1 3.98Å; I376-Y391 WeakPolarHBondContact O-CE1 3.41Å; I376-Y391 PolarHBondContact O-OH 2.94Å; I376-Y391 VanDerWaalsContact O-OH 3.06Å; Y378-Y391 HydrophobicContact CD2-CD1 4.18Å; Y378-Y391 AromaticContact CD2-CD2 3.48Å; Y378-Y391 HydrophobicContact CD2-CD2 3.48Å; Y378-Y391 VanDerWaalsContact CD2-CD2 3.48Å; Y378-Y391 HydrophobicContact CD2-CE1 4.42Å; Y378-Y391 AromaticContact CD2-CE2 3.78Å; Y378-Y391 HydrophobicContact CD2-CE2 3.78Å; Y378-Y391 AromaticContact CD2-CG 3.68Å; Y378-Y391 HydrophobicContact CD2-CG 3.68Å; Y378-Y391 HydrophobicContact CE2-CD2 4.19Å; Y378-Y391 HydrophobicContact CG-CD1 4.32Å; Y378-Y391 HydrophobicContact CG-CD2 4.35Å; Y378-Y391 HydrophobicContact CG-CG 4.1Å; S388-Y391 PolarHBondContact O-N 3.49Å; Y389-Y391 VanDerWaalsContact C-N 3.31Å; Y389-Y391 PolarHBondContact O-N 3.28Å; Y391-V393 VanDerWaalsContact C-N 3.34Å; Y391-V393 PolarHBondContact O-N 3.39Å; Y391-V393 VanDerWaalsContact O-N 3.09Å
392	T	83.4	Confident	71.8	Confident	147 Å²	147	104.1 Å²	104.1	90%	0.902	62%	0.615	S	S	*	*			trans	-81	82.2	167.7	52	0	0	0	0	109.1	S394	T392-S394 PolarHBondContact O-N 2.81Å
393	V	67.7	Low	70.2	Confident	64 Å²	64	100.9 Å²	100.9	39%	0.388	61%	0.606	S	S	.	*			trans	-74.2	113.1	177.2	-170.2	0	0	0	0	108.8	Y378 Y391 G395 A396	Y378-V393 HydrophobicContact CD1-CG2 4.3Å; Y378-V393 HydrophobicContact CE1-CG2 4.34Å; Y391-V393 VanDerWaalsContact C-N 3.34Å; Y391-V393 PolarHBondContact O-N 3.39Å; Y391-V393 VanDerWaalsContact O-N 3.09Å; V393-G395 PolarHBondContact O-N 3.34Å; V393-A396 PolarHBondContact O-N 2.81Å
394	S	53.5	Low	68.6	Low	133 Å²	133	103.2 Å²	103.2	93%	0.93	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	13.2	-177.4	-120	0	0	0	0	115.5	T392	T392-S394 PolarHBondContact O-N 2.81Å
395	G	51.3	Low	66.8	Low	69 Å²	69	103.8 Å²	103.8	71%	0.711	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-1.9	-178.5	0	0	0	0	0	115.3	V393	V393-G395 PolarHBondContact O-N 3.34Å
396	A	42.8	Very low	65	Low	81 Å²	81	104.9 Å²	104.9	67%	0.669	62%	0.616	S	S	*	*			trans	-112.7	43.4	177.1	0	0	0	0	0	112	V393 R398	V393-A396 PolarHBondContact O-N 2.81Å; A396-R398 PolarHBondContact O-N 2.75Å
397	V	39.9	Very low	63.4	Low	128 Å²	128	107.6 Å²	107.6	78%	0.776	63%	0.633	S	S	*	*			trans	-61.7	101.4	141.4	-179.5	0	0	0	0	103.6	S399	V397-S399 PolarHBondContact O-N 2.95Å
398	R	41.9	Very low	61.8	Low	221 Å²	221	106.9 Å²	106.9	83%	0.834	63%	0.629	S	S	*	*			trans	-51.7	103.5	157.2	-80.2	-177.7	176.2	-178.2	-0.8	103.8	A396 L400	A396-R398 PolarHBondContact O-N 2.75Å; R398-L400 PolarHBondContact O-N 3.42Å
399	S	44.2	Very low	60.3	Low	99 Å²	99	108.4 Å²	108.4	69%	0.692	64%	0.636	S	S	*	*			trans	-53.9	89.8	152.4	177.6	0	0	0	0	103.6	V397 S401	V397-S399 PolarHBondContact O-N 2.95Å; S399-S401 PolarHBondContact O-N 3.2Å
400	L	45.4	Very low	58.8	Low	134 Å²	134	101.2 Å²	101.2	70%	0.702	62%	0.619	S	S	*	*			trans	-52.7	97	142.1	-93.4	118.3	0	0	0	101.5	R398 T402	R398-L400 PolarHBondContact O-N 3.42Å; L400-T402 PolarHBondContact O-N 2.83Å
401	S	50.5	Low	57.3	Low	44 Å²	44	104.3 Å²	104.3	31%	0.308	61%	0.607	S	S	.	*			trans	-45.9	134.8	-178	62.9	0	0	0	0	105.6	S399 L403 T404	S399-S401 PolarHBondContact O-N 3.2Å; S401-L403 CarbonylContact O-C 3.56Å; S401-L403 PolarHBondContact O-N 3.47Å; S401-L403 VanDerWaalsContact OG-CB 3.27Å; S401-L403 WeakPolarHBondContact OG-CB 3.44Å; S401-T404 PolarHBondContact N-OG1 2.7Å; S401-T404 WeakPolarHBondContact O-CB 3.34Å; S401-T404 PolarHBondContact O-N 3.13Å; S401-T404 PolarHBondContact O-OG1 3.16Å; S401-T404 PolarHBondContact OG-N 3.24Å; S401-T404 PolarHBondContact OG-OG1 3.14Å
402	T	53.3	Low	55.7	Low	113 Å²	113	107.4 Å²	107.4	69%	0.693	62%	0.624	S	S	*	*	H	α-helix	trans	-46.6	-23.7	167.6	34.6	0	0	0	0	111.2	L400 L405 L406	L400-T402 PolarHBondContact O-N 2.83Å; T402-L405 PolarHBondContact O-N 2.95Å; T402-L406 WeakPolarHBondContact O-CB 3.29Å; T402-L406 WeakPolarHBondContact O-CD1 3.36Å; T402-L406 WeakPolarHBondContact O-CG 3.43Å; T402-L406 PolarHBondContact O-N 3.43Å
403	L	54.6	Low	54.5	Low	114 Å²	114	102.8 Å²	102.8	60%	0.597	60%	0.601	S	S	*	*	H	α-helix	trans	-57.9	-42.2	167.4	-142	78.9	0	0	0	114.7	S401 L406 L407	S401-L403 CarbonylContact O-C 3.56Å; S401-L403 PolarHBondContact O-N 3.47Å; S401-L403 VanDerWaalsContact OG-CB 3.27Å; S401-L403 WeakPolarHBondContact OG-CB 3.44Å; L403-L406 PolarHBondContact O-N 2.9Å; L403-L407 HydrophobicContact CD2-CD1 4.45Å; L403-L407 HydrophobicContact CG-CD1 4.28Å; L403-L407 VanDerWaalsContact O-CB 3.28Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 WeakPolarHBondContact O-CD1 3.44Å; L403-L407 WeakPolarHBondContact O-CG 3.27Å; L403-L407 PolarHBondContact O-N 2.99Å
404	T	56.6	Low	54.2	Low	62 Å²	62	104.3 Å²	104.3	38%	0.38	61%	0.61	S	S	.	*	H	α-helix	trans	-66.5	-40	177.4	-18.3	0	0	0	0	111.5	S401 V408	S401-T404 PolarHBondContact N-OG1 2.7Å; S401-T404 WeakPolarHBondContact O-CB 3.34Å; S401-T404 PolarHBondContact O-N 3.13Å; S401-T404 PolarHBondContact O-OG1 3.16Å; S401-T404 PolarHBondContact OG-N 3.24Å; S401-T404 PolarHBondContact OG-OG1 3.14Å; T404-V408 VanDerWaalsContact O-CG2 3.29Å; T404-V408 WeakPolarHBondContact O-CG2 3.37Å; T404-V408 PolarHBondContact O-N 3.22Å; T404-V408 VanDerWaalsContact O-N 3.16Å
405	L	55.2	Low	54.4	Low	133 Å²	133	104.2 Å²	104.2	70%	0.696	60%	0.596	S	S	*	*	H	α-helix	trans	-71.7	-35.6	177.3	-150	79	0	0	0	111.6	T402 T409	T402-L405 PolarHBondContact O-N 2.95Å; L405-T409 WeakPolarHBondContact O-CG2 3.45Å; L405-T409 PolarHBondContact O-N 2.88Å; L405-T409 PolarHBondContact O-OG1 3.44Å
406	L	57	Low	54.7	Low	112 Å²	112	105.7 Å²	105.7	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-70.3	-34.7	173.6	-81	160.8	0	0	0	113	T402 L403 T409 A410	T402-L406 WeakPolarHBondContact O-CB 3.29Å; T402-L406 WeakPolarHBondContact O-CD1 3.36Å; T402-L406 WeakPolarHBondContact O-CG 3.43Å; T402-L406 PolarHBondContact O-N 3.43Å; L403-L406 PolarHBondContact O-N 2.9Å; L406-T409 PolarHBondContact O-OG1 3.08Å; L406-T409 VanDerWaalsContact O-OG1 3.12Å; L406-A410 VanDerWaalsContact O-CB 3.26Å; L406-A410 WeakPolarHBondContact O-CB 3.26Å; L406-A410 PolarHBondContact O-N 3.2Å
407	L	61.4	Low	55.3	Low	103 Å²	103	108.6 Å²	108.6	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-70.8	-36.6	176.8	-84.5	158.8	0	0	0	111.9	L403 F411	L403-L407 HydrophobicContact CD2-CD1 4.45Å; L403-L407 HydrophobicContact CG-CD1 4.28Å; L403-L407 VanDerWaalsContact O-CB 3.28Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 WeakPolarHBondContact O-CD1 3.44Å; L403-L407 WeakPolarHBondContact O-CG 3.27Å; L403-L407 PolarHBondContact O-N 2.99Å; L407-F411 WeakPolarHBondContact O-CB 3.33Å; L407-F411 PolarHBondContact O-N 3.17Å
408	V	63.2	Low	55.9	Low	85 Å²	85	107.6 Å²	107.6	52%	0.515	59%	0.59	S	S	.	*	H	α-helix	trans	-70.2	-39.3	177	173.8	0	0	0	0	111.6	T404 F411 Q412	T404-V408 VanDerWaalsContact O-CG2 3.29Å; T404-V408 WeakPolarHBondContact O-CG2 3.37Å; T404-V408 PolarHBondContact O-N 3.22Å; T404-V408 VanDerWaalsContact O-N 3.16Å; V408-F411 PolarHBondContact O-N 2.72Å; V408-Q412 PolarHBondContact O-N 2.9Å; V408-Q412 VanDerWaalsContact O-N 3.13Å
409	T	62.5	Low	56.5	Low	77 Å²	77	103 Å²	103	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-71.8	-35.4	176.3	53.6	0	0	0	0	112.5	L405 L406 Q412 A413	L405-T409 WeakPolarHBondContact O-CG2 3.45Å; L405-T409 PolarHBondContact O-N 2.88Å; L405-T409 PolarHBondContact O-OG1 3.44Å; L406-T409 PolarHBondContact O-OG1 3.08Å; L406-T409 VanDerWaalsContact O-OG1 3.12Å; T409-Q412 PolarHBondContact O-N 3.49Å; T409-A413 PolarHBondContact O-N 3.12Å; T409-A413 VanDerWaalsContact O-N 3.12Å
410	A	62.6	Low	56.6	Low	52 Å²	52	106.6 Å²	106.6	43%	0.43	61%	0.611	S	S	.	*	H	α-helix	trans	-66.6	-38.3	173	0	0	0	0	0	112.5	L406 A413 V414	L406-A410 VanDerWaalsContact O-CB 3.26Å; L406-A410 WeakPolarHBondContact O-CB 3.26Å; L406-A410 PolarHBondContact O-N 3.2Å; A410-A413 PolarHBondContact O-N 3.49Å; A410-V414 WeakPolarHBondContact O-CG2 3.41Å; A410-V414 PolarHBondContact O-N 3.41Å
411	F	63.1	Low	57.1	Low	152 Å²	152	105.3 Å²	105.3	67%	0.667	61%	0.607	S	S	*	*	H	α-helix	trans	-68.3	-36.8	176.9	-126.3	-93.9	0	0	0	112.6	L407 V408 V414 M415	L407-F411 WeakPolarHBondContact O-CB 3.33Å; L407-F411 PolarHBondContact O-N 3.17Å; V408-F411 PolarHBondContact O-N 2.72Å; F411-V414 PolarHBondContact O-N 3.49Å; F411-M415 PolarHBondContact O-N 3.18Å
412	Q	59.1	Low	57.5	Low	133 Å²	133	108.5 Å²	108.5	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-66.8	-38.1	174.2	-82.6	179.9	-35	0	0	112.5	V408 T409 V414 M415 T416	V408-Q412 PolarHBondContact O-N 2.9Å; V408-Q412 VanDerWaalsContact O-N 3.13Å; T409-Q412 PolarHBondContact O-N 3.49Å; Q412-V414 PolarHBondContact O-N 3.4Å; Q412-M415 PolarHBondContact O-N 3.01Å; Q412-T416 PolarHBondContact O-N 3.01Å; Q412-T416 PolarHBondContact O-OG1 3.12Å; Q412-T416 VanDerWaalsContact O-OG1 3.08Å
413	A	58.8	Low	57.7	Low	50 Å²	50	108.2 Å²	108.2	41%	0.413	62%	0.619	S	S	.	*	H	α-helix	trans	-66.3	-35.5	177.2	0	0	0	0	0	113	T409 A410 T416 L417	T409-A413 PolarHBondContact O-N 3.12Å; T409-A413 VanDerWaalsContact O-N 3.12Å; A410-A413 PolarHBondContact O-N 3.49Å; A413-T416 WeakPolarHBondContact CA-OG1 3.28Å; A413-T416 PolarHBondContact O-OG1 2.84Å; A413-L417 PolarHBondContact O-N 3.18Å
414	V	61.7	Low	57.9	Low	95 Å²	95	107.9 Å²	107.9	58%	0.576	62%	0.62	S	S	*	*	H	α-helix	trans	-73.7	-33.4	177.4	175.5	0	0	0	0	112	A410 F411 Q412 L417 T418	A410-V414 WeakPolarHBondContact O-CG2 3.41Å; A410-V414 PolarHBondContact O-N 3.41Å; F411-V414 PolarHBondContact O-N 3.49Å; Q412-V414 PolarHBondContact O-N 3.4Å; V414-L417 PolarHBondContact O-N 3.26Å; V414-T418 PolarHBondContact O-OG1 3.47Å
415	M	58.4	Low	58	Low	131 Å²	131	110.8 Å²	110.8	65%	0.645	64%	0.635	S	S	*	*	H	α-helix	trans	-72.2	-28.4	174.4	-72.2	-156.4	85.6	0	0	113.3	F411 Q412 L417 T418	F411-M415 PolarHBondContact O-N 3.18Å; Q412-M415 PolarHBondContact O-N 3.01Å; M415-L417 VanDerWaalsContact C-N 3.33Å; M415-T418 PolarHBondContact O-OG1 3.41Å
416	T	56	Low	58.2	Low	101 Å²	101	109.3 Å²	109.3	62%	0.62	63%	0.631	S	S	*	*	H	α-helix	trans	-73.2	-22.2	173.4	36.7	0	0	0	0	114.1	Q412 A413	Q412-T416 PolarHBondContact O-N 3.01Å; Q412-T416 PolarHBondContact O-OG1 3.12Å; Q412-T416 VanDerWaalsContact O-OG1 3.08Å; A413-T416 WeakPolarHBondContact CA-OG1 3.28Å; A413-T416 PolarHBondContact O-OG1 2.84Å
417	L	55.2	Low	58.3	Low	142 Å²	142	109.1 Å²	109.1	74%	0.743	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-3.7	-179.9	-80.1	161.7	0	0	0	114.2	A413 V414 M415	A413-L417 PolarHBondContact O-N 3.18Å; V414-L417 PolarHBondContact O-N 3.26Å; M415-L417 VanDerWaalsContact C-N 3.33Å
418	T	53.4	Low	58	Low	106 Å²	106	109.5 Å²	109.5	65%	0.65	64%	0.641	S	S	*	*	S	Bend	trans	-104.7	4.5	179.4	40.6	0	0	0	0	113.5	V414 M415	V414-T418 PolarHBondContact O-OG1 3.47Å; M415-T418 PolarHBondContact O-OG1 3.41Å
419	V	55.3	Low	57.6	Low	125 Å²	125	111.6 Å²	111.6	76%	0.758	65%	0.652	S	S	*	*			trans	-124.3	42.1	176.1	-164.5	0	0	0	0	110.9
420	S	45.3	Very low	57.2	Low	175 Å²	175	114.7 Å²	114.7	100%	1.224	67%	0.668	S	S	*	*			trans	-132.9	0	170.9	-67.1	0	0	0	0	111

Retrieved 420 of 420 residues in 198.5 ms (Link to these results)

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