A0A060X869_ONCMY Loading...

Glycoprotein endo-alpha-1,2-mannosidase

AlphaFold DB , UniProt , Accession A0A060X869, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene manea, Length 449 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	51.8	Low	49.2	Very low	233 Å²	233	153.2 Å²	153.2	100%	1.148	73%	0.734	S	S	*	*				0	12.3	0	-88.7	179.5	-100.7	0	0	115.7
2	A	48	Very low	50.1	Low	84 Å²	84	152 Å²	152	69%	0.694	72%	0.724	S	S	*	*			trans	-104.5	-12.7	178.3	0	0	0	0	0	115.5
3	R	45.2	Very low	51.3	Low	232 Å²	232	147.4 Å²	147.4	88%	0.875	70%	0.704	S	S	*	*	S	Bend	trans	-88.9	-19.1	-179.4	-89	-179.1	171.7	171.5	-2.6	114.9
4	F	42.9	Very low	52.2	Low	179 Å²	179	139.6 Å²	139.6	79%	0.785	68%	0.682	S	S	*	*	H	α-helix	trans	-85.8	-28.5	-179.3	-135.6	-96.2	0	0	0	113.1
5	R	48.4	Very low	52.8	Low	217 Å²	217	136.7 Å²	136.7	82%	0.819	67%	0.67	S	S	*	*	H	α-helix	trans	-74.5	-19.8	175.8	-88.9	-176.4	173.8	179.5	-1.9	114.7
6	R	46.3	Very low	53.6	Low	206 Å²	206	132.9 Å²	132.9	78%	0.777	66%	0.657	S	S	*	*	H	α-helix	trans	-77.6	-33.6	177.6	-103.6	-178.8	177.8	178.3	0	113	S10	R6-S10 PolarHBondContact O-N 3.38Å; R6-S10 PolarHBondContact O-OG 2.64Å; R6-S10 VanDerWaalsContact O-OG 3.1Å
7	R	47.4	Very low	54.1	Low	204 Å²	204	130.8 Å²	130.8	77%	0.77	65%	0.648	S	S	*	*	H	α-helix	trans	-73.3	-41.4	-178.4	-75.6	-174.2	174.2	179	-2.4	112.9	C9 S10 T11	R7-C9 VanDerWaalsContact C-N 3.34Å; R7-C9 PolarHBondContact O-N 3.17Å; R7-S10 PolarHBondContact O-N 3.41Å; R7-T11 WeakPolarHBondContact O-CG2 3.43Å; R7-T11 PolarHBondContact O-N 3.31Å; R7-T11 PolarHBondContact O-OG1 3.36Å
8	S	51.5	Low	54.5	Low	76 Å²	76	129.6 Å²	129.6	53%	0.531	64%	0.644	S	S	.	*	H	α-helix	trans	-69.2	-28.8	177.2	-66	0	0	0	0	113.9	T11 F12	S8-T11 WeakPolarHBondContact CA-OG1 3.46Å; S8-T11 PolarHBondContact O-OG1 3.25Å; S8-F12 WeakPolarHBondContact O-CB 3.33Å; S8-F12 PolarHBondContact O-N 3Å
9	C	50.6	Low	54.9	Low	73 Å²	73	127.9 Å²	127.9	49%	0.493	64%	0.637	S	S	.	*	H	α-helix	trans	-74.7	-38.6	177.6	-154.1	0	0	0	0	111.2	R7 F12 I13	R7-C9 VanDerWaalsContact C-N 3.34Å; R7-C9 PolarHBondContact O-N 3.17Å; C9-F12 PolarHBondContact O-N 3.38Å; C9-I13 WeakPolarHBondContact O-CD1 3.26Å; C9-I13 VanDerWaalsContact O-CG1 3.28Å; C9-I13 WeakPolarHBondContact O-CG1 3.38Å; C9-I13 PolarHBondContact O-N 3.11Å
10	S	52.2	Low	55.3	Low	82 Å²	82	128.6 Å²	128.6	57%	0.573	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-35.8	175.5	-60	0	0	0	0	113.1	R6 R7 G14	R6-S10 PolarHBondContact O-N 3.38Å; R6-S10 PolarHBondContact O-OG 2.64Å; R6-S10 VanDerWaalsContact O-OG 3.1Å; R7-S10 PolarHBondContact O-N 3.41Å; S10-G14 PolarHBondContact O-N 3.16Å
11	T	57.3	Low	55.8	Low	99 Å²	99	127.1 Å²	127.1	61%	0.607	63%	0.629	S	S	*	*	H	α-helix	trans	-70.7	-33.8	175.1	51.6	0	0	0	0	112.4	R7 S8 L15	R7-T11 WeakPolarHBondContact O-CG2 3.43Å; R7-T11 PolarHBondContact O-N 3.31Å; R7-T11 PolarHBondContact O-OG1 3.36Å; S8-T11 WeakPolarHBondContact CA-OG1 3.46Å; S8-T11 PolarHBondContact O-OG1 3.25Å; T11-L15 PolarHBondContact O-N 3.3Å; T11-L15 VanDerWaalsContact O-N 3.09Å
12	F	59.1	Low	56.2	Low	139 Å²	139	119.5 Å²	119.5	61%	0.61	60%	0.596	S	S	*	*	H	α-helix	trans	-70.7	-42.4	176.3	-165.9	-99	0	0	0	112.1	S8 C9 G14 L15 V16	S8-F12 WeakPolarHBondContact O-CB 3.33Å; S8-F12 PolarHBondContact O-N 3Å; C9-F12 PolarHBondContact O-N 3.38Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 3.14Å; F12-L15 PolarHBondContact O-N 3.08Å; F12-V16 HydrophobicContact CD1-CG2 4.33Å; F12-V16 HydrophobicContact CE1-CG2 4.12Å; F12-V16 WeakPolarHBondContact O-CG2 2.84Å; F12-V16 PolarHBondContact O-N 3.28Å
13	I	66.3	Low	56.2	Low	92 Å²	92	119.2 Å²	119.2	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-64	-38.7	174.7	-67.3	165.8	0	0	0	111	C9 L15 V16 L17	C9-I13 WeakPolarHBondContact O-CD1 3.26Å; C9-I13 VanDerWaalsContact O-CG1 3.28Å; C9-I13 WeakPolarHBondContact O-CG1 3.38Å; C9-I13 PolarHBondContact O-N 3.11Å; I13-L15 PolarHBondContact O-N 3.43Å; I13-V16 PolarHBondContact O-N 2.97Å; I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 WeakPolarHBondContact O-CB 3.36Å; I13-L17 PolarHBondContact O-N 3.44Å
14	G	64	Low	56.8	Low	38 Å²	38	111.6 Å²	111.6	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-62	-40.1	174.2	0	0	0	0	0	113.3	S10 F12 L18	S10-G14 PolarHBondContact O-N 3.16Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 3.14Å; G14-L18 WeakPolarHBondContact O-CB 3.43Å; G14-L18 PolarHBondContact O-N 3.48Å
15	L	61.5	Low	57.4	Low	96 Å²	96	106.1 Å²	106.1	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-42.1	177.2	-163.6	87.9	0	0	0	111.8	T11 F12 I13 L18 I19	T11-L15 PolarHBondContact O-N 3.3Å; T11-L15 VanDerWaalsContact O-N 3.09Å; F12-L15 PolarHBondContact O-N 3.08Å; I13-L15 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 3.02Å; L15-I19 HydrophobicContact CD2-CD1 4.36Å; L15-I19 HydrophobicContact CG-CD1 4.23Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 2.87Å
16	V	65.2	Low	57	Low	77 Å²	77	101.3 Å²	101.3	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-40.5	178.2	174	0	0	0	0	111.4	F12 I13 I19 F20	F12-V16 HydrophobicContact CD1-CG2 4.33Å; F12-V16 HydrophobicContact CE1-CG2 4.12Å; F12-V16 WeakPolarHBondContact O-CG2 2.84Å; F12-V16 PolarHBondContact O-N 3.28Å; I13-V16 PolarHBondContact O-N 2.97Å; V16-I19 PolarHBondContact O-N 3.14Å; V16-F20 WeakPolarHBondContact O-CB 3.12Å; V16-F20 PolarHBondContact O-N 2.73Å
17	L	61.7	Low	56.7	Low	97 Å²	97	99.2 Å²	99.2	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-39.2	174.2	-81.6	163.5	0	0	0	112.1	I13 F20 I21	I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 WeakPolarHBondContact O-CB 3.36Å; I13-L17 PolarHBondContact O-N 3.44Å; L17-F20 PolarHBondContact O-N 2.82Å; L17-I21 WeakPolarHBondContact O-CB 3.47Å; L17-I21 WeakPolarHBondContact O-CD1 3.45Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 2.75Å
18	L	61.5	Low	56.4	Low	108 Å²	108	93.6 Å²	93.6	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-62.6	-45.8	175.4	-170.4	83.6	0	0	0	111.1	G14 L15 F20 I21 V22	G14-L18 WeakPolarHBondContact O-CB 3.43Å; G14-L18 PolarHBondContact O-N 3.48Å; L15-L18 PolarHBondContact O-N 3.02Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 2.96Å; L18-I21 PolarHBondContact O-N 2.88Å; L18-V22 WeakPolarHBondContact O-CB 3.25Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.48Å; L18-V22 PolarHBondContact O-N 3.45Å
19	I	62.9	Low	55.6	Low	99 Å²	99	97.6 Å²	97.6	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-61.2	-45.7	176.5	-68	164.9	0	0	0	109.7	L15 V16 I21 V22 T23	L15-I19 HydrophobicContact CD2-CD1 4.36Å; L15-I19 HydrophobicContact CG-CD1 4.23Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 2.87Å; V16-I19 PolarHBondContact O-N 3.14Å; I19-I21 PolarHBondContact O-N 2.91Å; I19-V22 PolarHBondContact O-N 3.23Å; I19-T23 PolarHBondContact O-N 3.44Å; I19-T23 PolarHBondContact O-OG1 2.95Å
20	F	62.3	Low	54.8	Low	141 Å²	141	99 Å²	99	62%	0.618	54%	0.539	S	S	*	.	H	α-helix	trans	-62.6	-43.7	179.3	-163.6	-97.8	0	0	0	112.4	V16 L17 L18 T23 V24	V16-F20 WeakPolarHBondContact O-CB 3.12Å; V16-F20 PolarHBondContact O-N 2.73Å; L17-F20 PolarHBondContact O-N 2.82Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 2.96Å; F20-T23 PolarHBondContact O-N 2.83Å; F20-V24 HydrophobicContact CD1-CG2 4.07Å; F20-V24 HydrophobicContact CE1-CG2 3.85Å; F20-V24 HydrophobicContact CZ-CG2 4.35Å; F20-V24 VanDerWaalsContact O-CG2 3.32Å; F20-V24 WeakPolarHBondContact O-CG2 3.17Å; F20-V24 PolarHBondContact O-N 3.13Å
21	I	64.9	Low	53.6	Low	97 Å²	97	101.1 Å²	101.1	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-44.7	176.7	-69.4	165.5	0	0	0	110.7	L17 L18 I19 T23 V24 V25	L17-I21 WeakPolarHBondContact O-CB 3.47Å; L17-I21 WeakPolarHBondContact O-CD1 3.45Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 2.75Å; L18-I21 PolarHBondContact O-N 2.88Å; I19-I21 PolarHBondContact O-N 2.91Å; I21-T23 VanDerWaalsContact C-N 3.29Å; I21-T23 PolarHBondContact O-N 3.29Å; I21-V24 PolarHBondContact O-N 3.02Å; I21-V25 HydrophobicContact CG2-CG2 4.15Å; I21-V25 VanDerWaalsContact O-CB 3.31Å; I21-V25 WeakPolarHBondContact O-CB 3.4Å; I21-V25 WeakPolarHBondContact O-CG2 3.47Å; I21-V25 PolarHBondContact O-N 3.13Å
22	V	60.5	Low	52.3	Low	74 Å²	74	104.4 Å²	104.4	45%	0.448	56%	0.559	S	S	.	*	H	α-helix	trans	-61.3	-40	176.6	170.2	0	0	0	0	110.9	L18 I19 L26	L18-V22 WeakPolarHBondContact O-CB 3.25Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.48Å; L18-V22 PolarHBondContact O-N 3.45Å; I19-V22 PolarHBondContact O-N 3.23Å; V22-L26 HydrophobicContact CG1-CD1 3.67Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 VanDerWaalsContact O-CB 3.29Å; V22-L26 WeakPolarHBondContact O-CB 3.13Å; V22-L26 WeakPolarHBondContact O-CD1 3.48Å; V22-L26 WeakPolarHBondContact O-CG 3.17Å; V22-L26 PolarHBondContact O-N 3.1Å
23	T	49.4	Very low	50.9	Low	78 Å²	78	108.2 Å²	108.2	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-69.7	-37.5	179.3	-30.2	0	0	0	0	112.3	I19 F20 I21 K27	I19-T23 PolarHBondContact O-N 3.44Å; I19-T23 PolarHBondContact O-OG1 2.95Å; F20-T23 PolarHBondContact O-N 2.83Å; I21-T23 VanDerWaalsContact C-N 3.29Å; I21-T23 PolarHBondContact O-N 3.29Å; T23-K27 PolarHBondContact O-N 3.46Å; T23-K27 VanDerWaalsContact O-N 3.14Å
24	V	57.7	Low	49.1	Very low	72 Å²	72	108.5 Å²	108.5	44%	0.436	58%	0.581	S	S	.	*	H	α-helix	trans	-68.9	-45.6	175.8	171.2	0	0	0	0	110.4	F20 I21 L26 K27 S28	F20-V24 HydrophobicContact CD1-CG2 4.07Å; F20-V24 HydrophobicContact CE1-CG2 3.85Å; F20-V24 HydrophobicContact CZ-CG2 4.35Å; F20-V24 VanDerWaalsContact O-CG2 3.32Å; F20-V24 WeakPolarHBondContact O-CG2 3.17Å; F20-V24 PolarHBondContact O-N 3.13Å; I21-V24 PolarHBondContact O-N 3.02Å; V24-L26 PolarHBondContact O-N 2.56Å; V24-K27 WeakPolarHBondContact O-CA 3.41Å; V24-K27 WeakPolarHBondContact O-CB 3.37Å; V24-K27 PolarHBondContact O-N 3.27Å; V24-K27 VanDerWaalsContact O-N 3.11Å; V24-S28 PolarHBondContact O-N 3.32Å; V24-S28 PolarHBondContact O-OG 2.7Å
25	V	54.7	Low	47.3	Very low	63 Å²	63	112.1 Å²	112.1	38%	0.382	60%	0.597	S	S	.	*	H	α-helix	trans	-63.6	-40.5	178.3	171.7	0	0	0	0	111.6	I21 K27 S28 F29	I21-V25 HydrophobicContact CG2-CG2 4.15Å; I21-V25 VanDerWaalsContact O-CB 3.31Å; I21-V25 WeakPolarHBondContact O-CB 3.4Å; I21-V25 WeakPolarHBondContact O-CG2 3.47Å; I21-V25 PolarHBondContact O-N 3.13Å; V25-K27 VanDerWaalsContact C-N 3.28Å; V25-K27 PolarHBondContact O-N 2.91Å; V25-S28 WeakPolarHBondContact CA-OG 3.44Å; V25-S28 PolarHBondContact O-N 2.9Å; V25-S28 PolarHBondContact O-OG 3.34Å; V25-F29 HydrophobicContact CG1-CD2 3.8Å; V25-F29 HydrophobicContact CG1-CE2 3.4Å; V25-F29 WeakPolarHBondContact O-CD2 3.47Å; V25-F29 PolarHBondContact O-N 3.17Å
26	L	40.1	Very low	45.6	Very low	117 Å²	117	117.2 Å²	117.2	61%	0.613	62%	0.616	S	S	*	*	H	α-helix	trans	-65.2	-30.4	173.9	-75.4	166.8	0	0	0	112.6	V22 V24	V22-L26 HydrophobicContact CG1-CD1 3.67Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 VanDerWaalsContact O-CB 3.29Å; V22-L26 WeakPolarHBondContact O-CB 3.13Å; V22-L26 WeakPolarHBondContact O-CD1 3.48Å; V22-L26 WeakPolarHBondContact O-CG 3.17Å; V22-L26 PolarHBondContact O-N 3.1Å; V24-L26 PolarHBondContact O-N 2.56Å
27	K	40.1	Very low	43.7	Very low	161 Å²	161	116.8 Å²	116.8	70%	0.7	63%	0.627	S	S	*	*	H	α-helix	trans	-71.6	-35.8	171	-98.5	-176.2	171.9	-177.5	0	112.6	T23 V24 V25 F29 T30	T23-K27 PolarHBondContact O-N 3.46Å; T23-K27 VanDerWaalsContact O-N 3.14Å; V24-K27 WeakPolarHBondContact O-CA 3.41Å; V24-K27 WeakPolarHBondContact O-CB 3.37Å; V24-K27 PolarHBondContact O-N 3.27Å; V24-K27 VanDerWaalsContact O-N 3.11Å; V25-K27 VanDerWaalsContact C-N 3.28Å; V25-K27 PolarHBondContact O-N 2.91Å; K27-F29 PolarHBondContact O-N 3.43Å; K27-T30 PolarHBondContact O-N 2.87Å; K27-T30 PolarHBondContact O-OG1 3.18Å
28	S	40.9	Very low	42	Very low	86 Å²	86	117.7 Å²	117.7	60%	0.601	64%	0.641	S	S	*	*	H	α-helix	trans	-73.3	-9.4	177.4	-4.1	0	0	0	0	114.5	V24 V25	V24-S28 PolarHBondContact O-N 3.32Å; V24-S28 PolarHBondContact O-OG 2.7Å; V25-S28 WeakPolarHBondContact CA-OG 3.44Å; V25-S28 PolarHBondContact O-N 2.9Å; V25-S28 PolarHBondContact O-OG 3.34Å
29	F	35.5	Very low	40.2	Very low	161 Å²	161	119.2 Å²	119.2	71%	0.706	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	14.2	175.4	-72.5	-60.9	0	0	0	114	V25 K27 P31	V25-F29 HydrophobicContact CG1-CD2 3.8Å; V25-F29 HydrophobicContact CG1-CE2 3.4Å; V25-F29 WeakPolarHBondContact O-CD2 3.47Å; V25-F29 PolarHBondContact O-N 3.17Å; K27-F29 PolarHBondContact O-N 3.43Å; F29-P31 WeakPolarHBondContact O-CD 3.19Å
30	T	32.1	Very low	38.4	Very low	102 Å²	102	123.7 Å²	123.7	63%	0.626	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-84.3	116.1	167.2	51.6	0	0	0	0	109.5	K27 E32	K27-T30 PolarHBondContact O-N 2.87Å; K27-T30 PolarHBondContact O-OG1 3.18Å; T30-E32 PolarHBondContact O-N 2.7Å
31	P	28.8	Very low	36.7	Very low	126 Å²	126	120.2 Å²	120.2	82%	0.818	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-77.2	117.4	176.7	27.8	-28.7	0	0	0	110.1	F29	F29-P31 WeakPolarHBondContact O-CD 3.19Å
32	E	29.8	Very low	35	Very low	169 Å²	169	121.5 Å²	121.5	79%	0.79	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-73.6	142.9	154.5	-72.8	-175.7	162.1	0	0	109.4	T30	T30-E32 PolarHBondContact O-N 2.7Å
33	Y	28.5	Very low	33.3	Very low	219 Å²	219	126.7 Å²	126.7	86%	0.859	70%	0.703	S	S	*	*			trans	100.1	122.3	168.4	-73.9	-88.6	0	0	0	120.9
34	S	28.7	Very low	32.1	Very low	98 Å²	98	131 Å²	131	69%	0.685	72%	0.722	S	S	*	*			trans	-62.8	158.1	167.9	170	0	0	0	0	113.7	F36	S34-F36 PolarHBondContact OG-N 3.35Å
35	P	27.6	Very low	30.6	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	75%	0.745	S	S	*	*			trans	-131.9	101.9	140.3	34.2	-17.8	0	0	0	110.7
36	F	25.6	Very low	29.4	Very low	204 Å²	204	140 Å²	140	90%	0.895	76%	0.762	S	S	*	*				-161.9	112	125.2	-94.4	-68.6	0	0	0	108.2	S34	S34-F36 PolarHBondContact OG-N 3.35Å
37	G	25.1	Very low	28.8	Very low	67 Å²	67	141.7 Å²	141.7	69%	0.691	77%	0.772	S	S	*	*			trans	-77.9	161.9	-178.3	0	0	0	0	0	113.2
38	S	25.5	Very low	28.2	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	78%	0.78	S	S	*	*			trans	-36.7	129.3	167.3	57.7	0	0	0	0	114
39	I	24.4	Very low	27.6	Very low	140 Å²	140	147 Å²	147	72%	0.718	79%	0.79	S	S	*	*			trans	-123.6	126.4	142.9	-52	-177.6	0	0	0	105.5
40	F	24.9	Very low	27.3	Very low	192 Å²	192	142.4 Å²	142.4	84%	0.842	79%	0.789	S	S	*	*			trans	91.7	93.7	177.5	-53.7	-68.7	0	0	0	117.5
41	G	25.1	Very low	27.4	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	80%	0.801	S	S	*	*			trans	-78.3	-177.6	148.5	0	0	0	0	0	112.2
42	P	31	Very low	27.3	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	80%	0.797	S	S	*	*			trans	-93.7	142.1	-145.8	35.9	-32.7	0	0	0	113.2
43	E	24.1	Very low	27.4	Very low	184 Å²	184	143.1 Å²	143.1	86%	0.86	80%	0.801	S	S	*	*			trans	166	116.1	148.2	-99.3	172.2	-170.8	0	0	108.9
44	L	24.8	Very low	27.5	Very low	168 Å²	168	140.5 Å²	140.5	88%	0.88	80%	0.802	S	S	*	*			trans	162.4	83.3	147.7	-89.3	152.5	0	0	0	109.8
45	F	26.3	Very low	27.5	Very low	211 Å²	211	140.7 Å²	140.7	93%	0.925	81%	0.81	S	S	*	*			trans	-110.5	118.2	156.9	-74.8	-76.2	0	0	0	108.4
46	P	27.8	Very low	27.8	Very low	112 Å²	112	143.5 Å²	143.5	73%	0.727	82%	0.817	S	S	*	*			trans	-87.2	124.2	150.6	18.1	-3.3	0	0	0	109.3	I48	P46-I48 PolarHBondContact O-N 3.45Å
47	N	27.4	Very low	28	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	82%	0.815	S	S	*	*			trans	-31.6	123.6	163.4	-76.6	-58.4	0	0	0	113.9
48	I	28.4	Very low	28	Very low	169 Å²	169	148.2 Å²	148.2	87%	0.867	83%	0.826	S	S	*	*			trans	-115.2	104.4	155.9	-60.2	-178.9	0	0	0	107.8	P46	P46-I48 PolarHBondContact O-N 3.45Å
49	K	28.7	Very low	28.3	Very low	188 Å²	188	151.6 Å²	151.6	82%	0.817	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65.9	137.5	169.7	-73	176.3	173.9	177.3	0	109.3
50	G	29.7	Very low	28.5	Very low	66 Å²	66	147.9 Å²	147.9	68%	0.68	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.5	158	172	0	0	0	0	0	112.7	G52	G50-G52 PolarHBondContact O-N 3.3Å
51	P	32.8	Very low	28.9	Very low	137 Å²	137	146.3 Å²	146.3	89%	0.89	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-80.6	119.4	179.3	31	-28.9	0	0	0	109.9
52	G	26.4	Very low	29.1	Very low	70 Å²	70	150.9 Å²	150.9	72%	0.722	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-72.2	162.6	168.3	0	0	0	0	0	112.4	G50 N54	G50-G52 PolarHBondContact O-N 3.3Å; G52-N54 PolarHBondContact O-N 3.05Å; G52-N54 VanDerWaalsContact O-N 3.17Å
53	K	32.8	Very low	29	Very low	204 Å²	204	152.6 Å²	152.6	89%	0.887	84%	0.839	S	S	*	*	S	Bend	trans	-47.5	112	172.3	-65.1	170.5	175.8	178.2	0	111.2
54	N	31.2	Very low	29.7	Very low	165 Å²	165	148.7 Å²	148.7	88%	0.882	83%	0.832	S	S	*	*			trans	172.3	84.4	140.6	-85.8	-14.4	0	0	0	109.5	G52	G52-N54 PolarHBondContact O-N 3.05Å; G52-N54 VanDerWaalsContact O-N 3.17Å
55	A	28.3	Very low	30.4	Very low	102 Å²	102	146.9 Å²	146.9	84%	0.843	83%	0.828	S	S	*	*			trans	-154.5	51.7	156.3	0	0	0	0	0	109.1
56	I	33	Very low	31.3	Very low	172 Å²	172	142.3 Å²	142.3	88%	0.882	82%	0.817	S	S	*	*			trans	-98.3	84.8	156.4	-63.5	177.5	0	0	0	105.2
57	Q	30.1	Very low	31.9	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	81%	0.813	S	S	*	*			trans	-165.2	135.8	155.2	-124.2	171.8	1.3	0	0	107.5
58	M	25.5	Very low	32.1	Very low	187 Å²	187	141.6 Å²	141.6	92%	0.921	81%	0.808	S	S	*	*			trans	92.3	48.8	-171.2	-51.6	-66.3	-179.8	0	0	115.3
59	L	31.7	Very low	32.3	Very low	189 Å²	189	136.8 Å²	136.8	99%	0.99	79%	0.793	S	S	*	*			trans	-81.3	104.4	138.4	-101.5	154.6	0	0	0	106.6
60	G	29.2	Very low	32.5	Very low	61 Å²	61	133.1 Å²	133.1	63%	0.629	78%	0.782	S	S	*	*			trans	-176.8	105.4	177.1	0	0	0	0	0	110.8
61	N	32.5	Very low	32.6	Very low	160 Å²	160	133.7 Å²	133.7	86%	0.856	77%	0.772	S	S	*	*			trans	67.3	96.9	168.2	-61.7	-16.7	0	0	0	116.9
62	I	28.4	Very low	32.7	Very low	163 Å²	163	133.6 Å²	133.6	84%	0.836	76%	0.758	S	S	*	*				-152.7	84.5	119	-53.5	-170.9	0	0	0	107.3
63	D	29.2	Very low	32.9	Very low	160 Å²	160	137.1 Å²	137.1	86%	0.856	76%	0.757	S	S	*	*			trans	-85.2	146.8	148.5	-93	-38.8	0	0	0	107.7
64	S	40.4	Very low	33.3	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	74%	0.742	S	S	*	*			trans	81.5	95.7	-177.1	77.8	0	0	0	0	116
65	V	38.9	Very low	33.8	Very low	130 Å²	130	129.5 Å²	129.5	79%	0.788	73%	0.725	S	S	*	*				164.6	70.2	127.5	179.7	0	0	0	0	107.3
66	V	45.1	Very low	34.7	Very low	115 Å²	115	130.1 Å²	130.1	70%	0.697	71%	0.713	S	S	*	*			trans	-150.6	85.7	154.8	-169.3	0	0	0	0	110.3
67	P	39.9	Very low	35.9	Very low	99 Å²	99	126.7 Å²	126.7	64%	0.643	70%	0.697	S	S	*	*	S	Bend	trans	-123.6	-10.3	159.5	3.4	19.3	0	0	0	115	T71	P67-T71 PolarHBondContact O-OG1 3.12Å
68	E	32.5	Very low	37.1	Very low	152 Å²	152	120.2 Å²	120.2	71%	0.71	67%	0.671	S	S	*	*	H	α-helix	trans	-96.1	-30.1	-171.4	-118.5	173.9	167.8	0	0	114.1	K72	E68-K72 WeakPolarHBondContact O-CG 3.3Å; E68-K72 PolarHBondContact O-N 3.4Å
69	A	33.1	Very low	38.8	Very low	69 Å²	69	117.5 Å²	117.5	57%	0.57	66%	0.656	S	S	*	*	H	α-helix	trans	-78.1	-33	178.5	0	0	0	0	0	112.8	M73	A69-M73 PolarHBondContact O-N 3.3Å
70	L	31.4	Very low	40.4	Very low	110 Å²	110	116 Å²	116	58%	0.576	64%	0.638	S	S	*	*	H	α-helix	trans	-73.4	-38.9	178.7	-152.8	78.5	0	0	0	111.3	M73 I74	L70-M73 PolarHBondContact O-N 2.98Å; L70-I74 HydrophobicContact CG-CD1 4.43Å; L70-I74 WeakPolarHBondContact O-CD1 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 2.87Å; L70-I74 VanDerWaalsContact O-N 3.14Å
71	T	32.5	Very low	42.1	Very low	78 Å²	78	116.4 Å²	116.4	48%	0.479	63%	0.627	S	S	.	*	H	α-helix	trans	-67.6	-37.3	176.5	-44.3	0	0	0	0	111.6	P67 I74 D75	P67-T71 PolarHBondContact O-OG1 3.12Å; T71-I74 PolarHBondContact O-N 3.13Å; T71-D75 PolarHBondContact O-N 2.68Å
72	K	33.8	Very low	43.6	Very low	135 Å²	135	114.8 Å²	114.8	59%	0.587	61%	0.613	S	S	*	*	H	α-helix	trans	-66.5	-34.7	173.7	-79.2	178.4	179.7	175.1	0	113.6	E68 I76	E68-K72 WeakPolarHBondContact O-CG 3.3Å; E68-K72 PolarHBondContact O-N 3.4Å; K72-I76 WeakPolarHBondContact O-CB 3.09Å; K72-I76 VanDerWaalsContact O-CD1 3.25Å; K72-I76 WeakPolarHBondContact O-CD1 3.49Å; K72-I76 WeakPolarHBondContact O-CG1 3.43Å; K72-I76 PolarHBondContact O-N 3.04Å; K72-I76 VanDerWaalsContact O-N 3.16Å
73	M	32.2	Very low	45.7	Very low	144 Å²	144	112.3 Å²	112.3	71%	0.709	60%	0.601	S	S	*	*	H	α-helix	trans	-70.5	-36.7	174.6	-91.5	179.7	163.1	0	0	112.7	A69 L70 D77	A69-M73 PolarHBondContact O-N 3.3Å; L70-M73 PolarHBondContact O-N 2.98Å; M73-D77 PolarHBondContact O-N 3.45Å
74	I	40.4	Very low	47.6	Very low	110 Å²	110	106 Å²	106	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-71.5	-36.8	177.9	-66.9	163.6	0	0	0	111.5	L70 T71 S78	L70-I74 HydrophobicContact CG-CD1 4.43Å; L70-I74 WeakPolarHBondContact O-CD1 3.32Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 2.87Å; L70-I74 VanDerWaalsContact O-N 3.14Å; T71-I74 PolarHBondContact O-N 3.13Å; I74-S78 PolarHBondContact O-N 2.85Å; I74-S78 VanDerWaalsContact O-N 3.08Å
75	D	42.2	Very low	49.2	Very low	99 Å²	99	106.2 Å²	106.2	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-70.7	-37.6	175.7	-91	-25.7	0	0	0	112.9	T71 D77 S78 E79	T71-D75 PolarHBondContact O-N 2.68Å; D75-D77 VanDerWaalsContact C-N 3.3Å; D75-D77 PolarHBondContact O-N 3.1Å; D75-S78 PolarHBondContact O-N 3.39Å; D75-E79 PolarHBondContact O-N 3.3Å
76	I	46.7	Very low	50.8	Low	116 Å²	116	102.4 Å²	102.4	60%	0.595	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-36.5	176	-70.4	165.6	0	0	0	111.1	K72 R80	K72-I76 WeakPolarHBondContact O-CB 3.09Å; K72-I76 VanDerWaalsContact O-CD1 3.25Å; K72-I76 WeakPolarHBondContact O-CD1 3.49Å; K72-I76 WeakPolarHBondContact O-CG1 3.43Å; K72-I76 PolarHBondContact O-N 3.04Å; K72-I76 VanDerWaalsContact O-N 3.16Å; I76-R80 WeakPolarHBondContact O-CB 3.25Å; I76-R80 PolarHBondContact O-N 3.39Å; I76-R80 VanDerWaalsContact O-N 3.1Å
77	D	57.7	Low	52.2	Low	100 Å²	100	97.9 Å²	97.9	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-73.1	-38.4	176.4	-157.5	24	0	0	0	111.6	M73 D75 R80 V81	M73-D77 PolarHBondContact O-N 3.45Å; D75-D77 VanDerWaalsContact C-N 3.3Å; D75-D77 PolarHBondContact O-N 3.1Å; D77-R80 PolarHBondContact O-N 3.17Å; D77-V81 WeakPolarHBondContact O-CB 3.4Å; D77-V81 WeakPolarHBondContact O-CG2 3.14Å; D77-V81 PolarHBondContact O-N 3.14Å
78	S	55.4	Low	54.1	Low	45 Å²	45	94 Å²	94	32%	0.315	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-44.5	176.2	-170.3	0	0	0	0	113.3	I74 D75 K82	I74-S78 PolarHBondContact O-N 2.85Å; I74-S78 VanDerWaalsContact O-N 3.08Å; D75-S78 PolarHBondContact O-N 3.39Å; S78-K82 WeakPolarHBondContact O-CB 3.26Å; S78-K82 VanDerWaalsContact O-CG 3.28Å; S78-K82 WeakPolarHBondContact O-CG 3.33Å; S78-K82 PolarHBondContact O-N 2.95Å
79	E	62	Low	56.4	Low	130 Å²	130	97 Å²	97	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-67.8	-40.3	176.2	-77.8	-163	153.7	0	0	111.8	D75 K82 N83	D75-E79 PolarHBondContact O-N 3.3Å; E79-K82 PolarHBondContact O-N 2.88Å; E79-N83 VanDerWaalsContact O-CB 3.26Å; E79-N83 WeakPolarHBondContact O-CB 3.17Å; E79-N83 PolarHBondContact O-N 2.84Å; E79-N83 PolarHBondContact O-ND2 3.23Å; E79-N83 VanDerWaalsContact O-ND2 3.14Å
80	R	64.1	Low	59	Low	159 Å²	159	100.9 Å²	100.9	60%	0.6	50%	0.5	S	S	*	.	H	α-helix	trans	-62.6	-44.6	176	-169.3	178	-175.7	-166.4	0.1	111.4	I76 D77 N83 V84	I76-R80 WeakPolarHBondContact O-CB 3.25Å; I76-R80 PolarHBondContact O-N 3.39Å; I76-R80 VanDerWaalsContact O-N 3.1Å; D77-R80 PolarHBondContact O-N 3.17Å; R80-N83 PolarHBondContact O-N 3.47Å; R80-V84 VanDerWaalsContact O-CG2 3.28Å; R80-V84 WeakPolarHBondContact O-CG2 3.28Å; R80-V84 PolarHBondContact O-N 3.05Å
81	V	65.5	Low	62	Low	68 Å²	68	97.7 Å²	97.7	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-46.8	175.5	170.1	0	0	0	0	111.2	D77 N83 V84 E85	D77-V81 WeakPolarHBondContact O-CB 3.4Å; D77-V81 WeakPolarHBondContact O-CG2 3.14Å; D77-V81 PolarHBondContact O-N 3.14Å; V81-N83 VanDerWaalsContact C-N 3.32Å; V81-N83 PolarHBondContact O-N 3.29Å; V81-V84 PolarHBondContact O-N 2.7Å; V81-E85 HydrophobicContact CG1-CG 4.46Å; V81-E85 WeakPolarHBondContact O-CG 3.41Å; V81-E85 PolarHBondContact O-N 3.07Å
82	K	65.2	Low	64.9	Low	127 Å²	127	95.9 Å²	95.9	55%	0.552	47%	0.471	S	S	*	.	H	α-helix	trans	-60.9	-40.2	176.4	-75.6	171.8	-174.8	164.9	0	112.5	S78 E79 E85 A86	S78-K82 WeakPolarHBondContact O-CB 3.26Å; S78-K82 VanDerWaalsContact O-CG 3.28Å; S78-K82 WeakPolarHBondContact O-CG 3.33Å; S78-K82 PolarHBondContact O-N 2.95Å; E79-K82 PolarHBondContact O-N 2.88Å; K82-E85 PolarHBondContact O-N 3.41Å; K82-A86 VanDerWaalsContact O-CB 3.29Å; K82-A86 WeakPolarHBondContact O-CB 3.15Å; K82-A86 PolarHBondContact O-N 3.31Å
83	N	70.8	Confident	67.8	Low	111 Å²	111	93.1 Å²	93.1	59%	0.594	47%	0.474	S	S	*	.	H	α-helix	trans	-66.7	-39.6	177.3	-74	-26.1	0	0	0	111.7	E79 R80 V81 A87	E79-N83 VanDerWaalsContact O-CB 3.26Å; E79-N83 WeakPolarHBondContact O-CB 3.17Å; E79-N83 PolarHBondContact O-N 2.84Å; E79-N83 PolarHBondContact O-ND2 3.23Å; E79-N83 VanDerWaalsContact O-ND2 3.14Å; R80-N83 PolarHBondContact O-N 3.47Å; V81-N83 VanDerWaalsContact C-N 3.32Å; V81-N83 PolarHBondContact O-N 3.29Å; N83-A87 VanDerWaalsContact O-CB 3.29Å; N83-A87 WeakPolarHBondContact O-CB 3.18Å; N83-A87 PolarHBondContact O-N 3.08Å
84	V	69.5	Low	70.9	Confident	26 Å²	26	87.4 Å²	87.4	16%	0.158	45%	0.447	C	S	.	.	H	α-helix	trans	-66.4	-47.2	174	171	0	0	0	0	110.8	R80 V81 A86 A87 L88 A209	R80-V84 VanDerWaalsContact O-CG2 3.28Å; R80-V84 WeakPolarHBondContact O-CG2 3.28Å; R80-V84 PolarHBondContact O-N 3.05Å; V81-V84 PolarHBondContact O-N 2.7Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A86 PolarHBondContact O-N 2.88Å; V84-A87 CarbonylContact O-C 3.58Å; V84-A87 WeakPolarHBondContact O-CB 3.45Å; V84-A87 PolarHBondContact O-N 3.3Å; V84-A87 VanDerWaalsContact O-N 3.15Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.23Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 VanDerWaalsContact O-CG 3.22Å; V84-L88 WeakPolarHBondContact O-CG 3.39Å; V84-L88 PolarHBondContact O-N 3.48Å; V84-A209 HydrophobicContact CG1-CB 4.34Å; V84-A209 WeakPolarHBondContact CG1-O 3.48Å
85	E	73.8	Confident	73.7	Confident	108 Å²	108	82.8 Å²	82.8	51%	0.505	42%	0.424	S	S	.	.	H	α-helix	trans	-59.7	-41.9	176.5	-75.3	-174.5	170.6	0	0	112.7	V81 K82 L88 R89	V81-E85 HydrophobicContact CG1-CG 4.46Å; V81-E85 WeakPolarHBondContact O-CG 3.41Å; V81-E85 PolarHBondContact O-N 3.07Å; K82-E85 PolarHBondContact O-N 3.41Å; E85-L88 PolarHBondContact O-N 2.87Å; E85-R89 PolarHBondContact O-N 3.09Å
86	A	73.4	Confident	76.3	Confident	49 Å²	49	82.2 Å²	82.2	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-40.5	174.9	0	0	0	0	0	111.9	K82 V84 L88 R89	K82-A86 VanDerWaalsContact O-CB 3.29Å; K82-A86 WeakPolarHBondContact O-CB 3.15Å; K82-A86 PolarHBondContact O-N 3.31Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A86 PolarHBondContact O-N 2.88Å; A86-L88 VanDerWaalsContact C-N 3.35Å; A86-R89 PolarHBondContact O-N 3.42Å
87	A	73.1	Confident	78.8	Confident	20 Å²	20	78.6 Å²	78.6	17%	0.165	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-38.8	173.9	0	0	0	0	0	111.6	N83 V84 R89 Q90 F91	N83-A87 VanDerWaalsContact O-CB 3.29Å; N83-A87 WeakPolarHBondContact O-CB 3.18Å; N83-A87 PolarHBondContact O-N 3.08Å; V84-A87 CarbonylContact O-C 3.58Å; V84-A87 WeakPolarHBondContact O-CB 3.45Å; V84-A87 PolarHBondContact O-N 3.3Å; V84-A87 VanDerWaalsContact O-N 3.15Å; A87-R89 VanDerWaalsContact C-N 3.28Å; A87-R89 PolarHBondContact O-N 2.82Å; A87-Q90 VanDerWaalsContact O-CB 3.31Å; A87-Q90 WeakPolarHBondContact O-CB 3.45Å; A87-Q90 PolarHBondContact O-N 3.37Å; A87-F91 WeakPolarHBondContact O-CD2 3.39Å; A87-F91 WeakPolarHBondContact O-CE2 3.19Å
88	L	80.9	Confident	80.7	Confident	19 Å²	19	74 Å²	74	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-32.2	179.9	-74.8	170	0	0	0	113.3	V84 E85 A86 Q90 F91 Y210	V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.23Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 VanDerWaalsContact O-CG 3.22Å; V84-L88 WeakPolarHBondContact O-CG 3.39Å; V84-L88 PolarHBondContact O-N 3.48Å; E85-L88 PolarHBondContact O-N 2.87Å; A86-L88 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.03Å; L88-F91 PolarHBondContact O-N 3.26Å; L88-F91 VanDerWaalsContact O-N 3.16Å; L88-Y210 HydrophobicContact CD2-CD1 4.1Å
89	R	81.6	Confident	82.8	Confident	213 Å²	213	72 Å²	72	80%	0.804	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.1	174.7	-67.9	177.1	-172.2	-179.8	3.6	113.3	E85 A86 A87	E85-R89 PolarHBondContact O-N 3.09Å; A86-R89 PolarHBondContact O-N 3.42Å; A87-R89 VanDerWaalsContact C-N 3.28Å; A87-R89 PolarHBondContact O-N 2.82Å
90	Q	87.3	Confident	84.6	Confident	151 Å²	151	65.8 Å²	65.8	71%	0.706	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-14.4	179.3	-53.7	179.9	16	0	0	112.6	A87 L88	A87-Q90 VanDerWaalsContact O-CB 3.31Å; A87-Q90 WeakPolarHBondContact O-CB 3.45Å; A87-Q90 PolarHBondContact O-N 3.37Å; L88-Q90 PolarHBondContact O-N 3.03Å
91	F	93.1	Very high	86.2	Confident	44 Å²	44	58.2 Å²	58.2	19%	0.193	30%	0.3	C	S	.	.	S	Bend	trans	-106.7	148.4	-177.7	-59.6	-70	0	0	0	111.8	A87 L88 K169 R172 A173	A87-F91 WeakPolarHBondContact O-CD2 3.39Å; A87-F91 WeakPolarHBondContact O-CE2 3.19Å; L88-F91 PolarHBondContact O-N 3.26Å; L88-F91 VanDerWaalsContact O-N 3.16Å; F91-K169 HydrophobicContact CE1-CB 4.32Å; F91-K169 WeakPolarHBondContact CE1-O 3.47Å; F91-K169 HydrophobicContact CE2-CB 4.44Å; F91-K169 HydrophobicContact CE2-CG 4.14Å; F91-K169 HydrophobicContact CZ-CB 3.77Å; F91-K169 HydrophobicContact CZ-CG 3.85Å; F91-R172 HydrophobicContact CB-CB 3.73Å; F91-R172 HydrophobicContact CD1-CB 4.01Å; F91-R172 HydrophobicContact CD2-CB 4.14Å; F91-R172 HydrophobicContact CG-CB 3.69Å; F91-A173 HydrophobicContact CD1-CB 4.16Å; F91-A173 HydrophobicContact CE1-CB 4.25Å
92	P	94.6	Very high	87.8	Confident	39 Å²	39	55 Å²	55	25%	0.253	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-60.8	157.7	170.7	30	-37.6	0	0	0	110.9	R172 A175 R434	P92-R172 WeakPolarHBondContact CD-O 3.27Å; P92-R172 WeakPolarHBondContact CG-O 3.3Å; P92-R172 PolarHBondContact O-NE 2.72Å; P92-R172 PolarHBondContact O-NH2 3.15Å; P92-A175 HydrophobicContact CB-CB 4.13Å; P92-A175 HydrophobicContact CG-CB 3.8Å; P92-R434 HydrophobicContact CG-CG 4.14Å
93	A	95.1	Very high	89.4	Confident	78 Å²	78	49 Å²	49	65%	0.645	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-59.8	143.2	169.7	0	0	0	0	0	110.2
94	P	96.9	Very high	90.7	Very high	23 Å²	23	43.9 Å²	43.9	15%	0.149	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-70.8	137.6	178.9	27.5	-27.5	0	0	0	110.3	Y96 H211	P94-Y96 HydrophobicContact CB-CE1 4.05Å; P94-Y96 HydrophobicContact CG-CE1 3.88Å; P94-Y96 HydrophobicContact CG-CE2 4.31Å; P94-H211 HydrophobicContact CG-CB 4.49Å; P94-H211 WeakPolarHBondContact CG-O 3.13Å
95	N	98.1	Very high	92.1	Very high	14 Å²	14	44.3 Å²	44.3	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	106.2	168.4	-175.3	-13.9	0	0	0	109.3	N97 I98 A175 G177 A437 S441	N95-N97 PolarHBondContact O-N 2.99Å; N95-N97 VanDerWaalsContact O-N 3.1Å; N95-N97 WeakPolarHBondContact OD1-CB 3.5Å; N95-N97 PolarHBondContact OD1-N 3.36Å; N95-I98 HydrophobicContact CB-CB 4.39Å; N95-I98 HydrophobicContact CB-CG1 3.86Å; N95-I98 PolarHBondContact O-N 3.27Å; N95-A175 WeakPolarHBondContact CB-O 3.45Å; N95-A175 PolarHBondContact N-O 3.29Å; N95-G177 WeakPolarHBondContact O-CA 3.42Å; N95-G177 PolarHBondContact O-N 3.43Å; N95-A437 HydrophobicContact CB-CB 4.38Å; N95-A437 PolarHBondContact ND2-O 2.82Å; N95-A437 VanDerWaalsContact ND2-O 3.15Å; N95-S441 PolarHBondContact ND2-OG 3.09Å
96	Y	98.2	Very high	93.3	Very high	86 Å²	86	39.2 Å²	39.2	34%	0.337	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	4.8	-178.5	-58.6	-60.2	0	0	0	114.9	P94 H99 G177 V178 H211 K213 Y247	P94-Y96 HydrophobicContact CB-CE1 4.05Å; P94-Y96 HydrophobicContact CG-CE1 3.88Å; P94-Y96 HydrophobicContact CG-CE2 4.31Å; Y96-H99 PolarHBondContact O-NE2 2.8Å; Y96-G177 WeakPolarHBondContact CD1-O 3.44Å; Y96-V178 HydrophobicContact CD1-CG2 4.37Å; Y96-H211 WeakPolarHBondContact CE1-O 3.35Å; Y96-H211 PolarHBondContact OH-O 3.48Å; Y96-K213 HydrophobicContact CD1-CG 3.85Å; Y96-K213 HydrophobicContact CE1-CG 3.66Å; Y96-Y247 PolarHBondContact O-OH 2.98Å
97	N	97.9	Very high	94.5	Very high	41 Å²	41	36.9 Å²	36.9	22%	0.219	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	7.4	168.5	-54.1	-70.4	0	0	0	112.4	N95 I391 I392 F440 R444	N95-N97 PolarHBondContact O-N 2.99Å; N95-N97 VanDerWaalsContact O-N 3.1Å; N95-N97 WeakPolarHBondContact OD1-CB 3.5Å; N95-N97 PolarHBondContact OD1-N 3.36Å; N97-I391 WeakPolarHBondContact O-CA 3.28Å; N97-I391 VanDerWaalsContact O-CG2 3.3Å; N97-I391 WeakPolarHBondContact O-CG2 3.39Å; N97-I392 PolarHBondContact O-N 3.1Å; N97-F440 HydrophobicContact CB-CE1 3.77Å; N97-R444 PolarHBondContact ND2-NH1 3.28Å; N97-R444 VanDerWaalsContact ND2-NH1 3.19Å; N97-R444 PolarHBondContact OD1-NH1 3.18Å
98	I	98.8	Very high	95.7	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.6	168.6	-55.2	-60.8	0	0	0	107.3	N95 I176 G177 V178 I392 I394 T433 A437 F440	N95-I98 HydrophobicContact CB-CB 4.39Å; N95-I98 HydrophobicContact CB-CG1 3.86Å; N95-I98 PolarHBondContact O-N 3.27Å; I98-I176 HydrophobicContact CG2-CG1 4.03Å; I98-G177 PolarHBondContact O-N 2.95Å; I98-V178 PolarHBondContact O-N 3.43Å; I98-I392 WeakPolarHBondContact CA-O 3.2Å; I98-I392 HydrophobicContact CD1-CB 3.87Å; I98-I392 HydrophobicContact CD1-CD1 4.34Å; I98-I392 HydrophobicContact CD1-CG1 4.44Å; I98-I394 HydrophobicContact CG2-CD1 3.57Å; I98-I394 HydrophobicContact CG2-CG1 4.28Å; I98-T433 HydrophobicContact CG2-CG2 4.34Å; I98-A437 HydrophobicContact CG1-CB 3.91Å; I98-F440 HydrophobicContact CD1-CD1 3.71Å; I98-F440 HydrophobicContact CD1-CE1 4.21Å; I98-F440 HydrophobicContact CD1-CG 4.39Å
99	H	98.9	Very high	96.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	145.7	-179	-63.5	-165.3	0	0	0	108.9	Y96 V178 Y247 Y261 I391 I392 S393 I394	Y96-H99 PolarHBondContact O-NE2 2.8Å; H99-V178 CarbonylContact C-O 3.45Å; H99-V178 VanDerWaalsContact CA-O 3.29Å; H99-V178 WeakPolarHBondContact CA-O 3.4Å; H99-V178 HydrophobicContact CB-CB 4.29Å; H99-V178 WeakPolarHBondContact CD2-CB 3.18Å; H99-V178 VanDerWaalsContact CD2-CG2 3.44Å; H99-V178 WeakPolarHBondContact CD2-CG2 3.11Å; H99-V178 WeakPolarHBondContact NE2-CG2 3.34Å; H99-Y247 AromaticContact CE1-CE1 3.65Å; H99-Y247 AromaticContact CE1-CZ 3.72Å; H99-Y247 AromaticContact NE2-CE1 3.99Å; H99-Y247 AromaticContact NE2-CZ 3.57Å; H99-Y247 PolarHBondContact NE2-OH 3.05Å; H99-Y261 AromaticContact ND1-CE2 3.77Å; H99-Y261 AromaticContact ND1-CZ 3.69Å; H99-Y261 PolarHBondContact ND1-OH 3.2Å; H99-I391 HydrophobicContact CB-CG2 4.4Å; H99-I392 PolarHBondContact N-O 3.11Å; H99-S393 CarbonylContact O-C 3.59Å; H99-S393 WeakPolarHBondContact O-CA 3.43Å; H99-I394 PolarHBondContact O-N 2.69Å
100	A	98.9	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.1	173.4	0	0	0	0	0	110.9	L171 I176 V178 A180 I394 F397	A100-L171 HydrophobicContact CB-CD2 4.32Å; A100-I176 HydrophobicContact CB-CD1 4.25Å; A100-I176 HydrophobicContact CB-CG2 3.94Å; A100-V178 PolarHBondContact N-O 3.5Å; A100-A180 PolarHBondContact O-N 3.05Å; A100-I394 HydrophobicContact CB-CB 4.2Å; A100-F397 HydrophobicContact CB-CB 4.27Å
101	F	98.9	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.6	173.5	-63.5	-65	0	0	0	110.1	Y103 A180 H217 Y261 Y316 Y318 I394 T395 F397	F101-Y103 HydrophobicContact CB-CE2 4.24Å; F101-A180 WeakPolarHBondContact CA-O 3.46Å; F101-A180 HydrophobicContact CD1-CB 3.75Å; F101-A180 HydrophobicContact CE1-CB 4.04Å; F101-H217 HydrophobicContact CD1-CB 4.21Å; F101-H217 AromaticContact CD1-CE1 3.9Å; F101-H217 AromaticContact CD1-CG 3.79Å; F101-H217 AromaticContact CD1-ND1 3.25Å; F101-H217 WeakPolarHBondContact CD1-ND1 3.35Å; F101-H217 HydrophobicContact CE1-CB 4.39Å; F101-H217 AromaticContact CE1-CG 3.89Å; F101-H217 AromaticContact CE1-ND1 3.71Å; F101-Y261 HydrophobicContact CE1-CD1 4.22Å; F101-Y261 HydrophobicContact CE1-CD2 4.21Å; F101-Y261 HydrophobicContact CE1-CG 4.02Å; F101-Y261 HydrophobicContact CZ-CD1 4.23Å; F101-Y261 HydrophobicContact CZ-CE1 4.38Å; F101-Y261 HydrophobicContact CZ-CG 4.49Å; F101-Y316 HydrophobicContact CE1-CD2 4.38Å; F101-Y316 AromaticContact CE1-CE2 4Å; F101-Y316 HydrophobicContact CE1-CE2 4Å; F101-Y316 HydrophobicContact CE2-CD2 4.21Å; F101-Y316 HydrophobicContact CE2-CE2 4.25Å; F101-Y316 AromaticContact CZ-CD2 3.51Å; F101-Y316 HydrophobicContact CZ-CD2 3.51Å; F101-Y316 AromaticContact CZ-CE2 3.47Å; F101-Y316 HydrophobicContact CZ-CE2 3.47Å; F101-Y316 VanDerWaalsContact CZ-CE2 3.47Å; F101-Y318 HydrophobicContact CD2-CD2 4.07Å; F101-Y318 HydrophobicContact CD2-CE2 4.27Å; F101-Y318 AromaticContact CE2-CD2 4Å; F101-Y318 HydrophobicContact CE2-CD2 4Å; F101-Y318 HydrophobicContact CG-CD2 4.49Å; F101-Y318 HydrophobicContact CG-CE2 4.38Å; F101-Y318 HydrophobicContact CZ-CD2 4.37Å; F101-I394 WeakPolarHBondContact CD2-O 3.43Å; F101-I394 PolarHBondContact N-O 3.25Å; F101-T395 VanDerWaalsContact CD2-OG1 3.3Å; F101-T395 WeakPolarHBondContact CD2-OG1 3.32Å; F101-T395 WeakPolarHBondContact CE2-OG1 3.41Å; F101-F397 WeakPolarHBondContact O-CB 3.46Å; F101-F397 PolarHBondContact O-N 2.97Å
102	Y	98.9	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.4	-168.6	179.6	-95.5	0	0	0	111.7	T104 H167 L179 A180 V181 S182 I203 F397	Y102-T104 HydrophobicContact CD1-CG2 3.8Å; Y102-T104 HydrophobicContact CE1-CG2 3.51Å; Y102-H167 HydrophobicContact CE2-CB 4.18Å; Y102-H167 AromaticContact CE2-ND1 3.41Å; Y102-H167 WeakPolarHBondContact CE2-ND1 3.33Å; Y102-H167 AromaticContact CZ-ND1 3.55Å; Y102-H167 PolarHBondContact OH-ND1 3.37Å; Y102-L179 VanDerWaalsContact CB-CG 3.47Å; Y102-L179 HydrophobicContact CD1-CD2 3.32Å; Y102-L179 HydrophobicContact CD1-CG 4.1Å; Y102-L179 HydrophobicContact CD2-CD1 3.86Å; Y102-L179 HydrophobicContact CD2-CD2 3.84Å; Y102-L179 HydrophobicContact CD2-CG 4.09Å; Y102-L179 HydrophobicContact CE1-CD2 3.77Å; Y102-L179 HydrophobicContact CE2-CD2 4.29Å; Y102-L179 HydrophobicContact CG-CD1 3.95Å; Y102-L179 HydrophobicContact CG-CD2 3.35Å; Y102-L179 HydrophobicContact CG-CG 3.65Å; Y102-A180 PolarHBondContact N-O 3.18Å; Y102-V181 HydrophobicContact CD1-CG2 4.2Å; Y102-S182 PolarHBondContact O-N 2.85Å; Y102-I203 HydrophobicContact CE1-CD1 4.33Å; Y102-F397 HydrophobicContact CD2-CB 4.11Å; Y102-F397 AromaticContact CD2-CD1 3.32Å; Y102-F397 HydrophobicContact CD2-CD1 3.32Å; Y102-F397 HydrophobicContact CD2-CE1 4.04Å; Y102-F397 AromaticContact CD2-CG 3.94Å; Y102-F397 HydrophobicContact CD2-CG 3.94Å; Y102-F397 AromaticContact CE2-CD1 3.5Å; Y102-F397 HydrophobicContact CE2-CD1 3.5Å; Y102-F397 AromaticContact CE2-CE1 3.73Å; Y102-F397 HydrophobicContact CE2-CE1 3.73Å; Y102-F397 HydrophobicContact CE2-CG 4.47Å
103	Y	98.9	Very high	98.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	20%	0.197	C	C	.	.			trans	-114.5	131.2	-172.4	-59.8	-89.9	0	0	0	110.7	F101 W105 Y318 N398 E399	F101-Y103 HydrophobicContact CB-CE2 4.24Å; Y103-W105 HydrophobicContact CD1-CD2 4.16Å; Y103-W105 AromaticContact CD1-CE2 3.84Å; Y103-W105 HydrophobicContact CD1-CE3 4.18Å; Y103-W105 AromaticContact CD1-CH2 3.61Å; Y103-W105 HydrophobicContact CD1-CH2 3.61Å; Y103-W105 AromaticContact CD1-CZ2 3.61Å; Y103-W105 HydrophobicContact CD1-CZ2 3.61Å; Y103-W105 AromaticContact CD1-CZ3 3.9Å; Y103-W105 HydrophobicContact CD1-CZ3 3.9Å; Y103-W105 AromaticContact CE1-CH2 3.91Å; Y103-W105 HydrophobicContact CE1-CH2 3.91Å; Y103-W105 HydrophobicContact CE1-CZ2 4.24Å; Y103-W105 HydrophobicContact CE1-CZ3 4.33Å; Y103-W105 HydrophobicContact CG-CZ2 4.08Å; Y103-Y318 WeakPolarHBondContact OH-CE2 3.3Å; Y103-Y318 PolarHBondContact OH-OH 2.92Å; Y103-N398 PolarHBondContact N-OD1 2.77Å; Y103-N398 PolarHBondContact O-ND2 3.38Å; Y103-E399 WeakPolarHBondContact CD1-OE2 3.36Å; Y103-E399 HydrophobicContact CD2-CB 3.86Å; Y103-E399 WeakPolarHBondContact CD2-OE2 3.3Å; Y103-E399 VanDerWaalsContact CE1-OE2 3.27Å; Y103-E399 WeakPolarHBondContact CE1-OE2 3.21Å; Y103-E399 HydrophobicContact CE2-CB 3.56Å; Y103-E399 HydrophobicContact CE2-CG 4.17Å; Y103-E399 VanDerWaalsContact CE2-OE2 3.28Å; Y103-E399 WeakPolarHBondContact CE2-OE2 3.47Å; Y103-E399 VanDerWaalsContact CZ-OE2 3.28Å
104	T	98.4	Very high	98.4	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.025	19%	0.188	C	C	.	.			trans	-109.9	13.7	-172.4	51.6	0	0	0	0	112.9	Y102 S158 V181 T196 I199 I203	Y102-T104 HydrophobicContact CD1-CG2 3.8Å; Y102-T104 HydrophobicContact CE1-CG2 3.51Å; T104-S158 VanDerWaalsContact C-CB 3.43Å; T104-S158 VanDerWaalsContact C-OG 3.26Å; T104-S158 WeakPolarHBondContact O-CB 3.36Å; T104-S158 PolarHBondContact O-OG 3.09Å; T104-V181 HydrophobicContact CG2-CG1 3.98Å; T104-T196 WeakPolarHBondContact OG1-CB 3.25Å; T104-I199 WeakPolarHBondContact O-CD1 3.27Å; T104-I203 HydrophobicContact CG2-CD1 3.3Å
105	W	98.4	Very high	98.5	Very high	35 Å²	35	36.8 Å²	36.8	13%	0.133	19%	0.19	C	C	.	.			trans	-97.3	1.1	-166.1	59.1	21.8	0	0	0	114.6	Y103 H117 T196 E399 H401	Y103-W105 HydrophobicContact CD1-CD2 4.16Å; Y103-W105 AromaticContact CD1-CE2 3.84Å; Y103-W105 HydrophobicContact CD1-CE3 4.18Å; Y103-W105 AromaticContact CD1-CH2 3.61Å; Y103-W105 HydrophobicContact CD1-CH2 3.61Å; Y103-W105 AromaticContact CD1-CZ2 3.61Å; Y103-W105 HydrophobicContact CD1-CZ2 3.61Å; Y103-W105 AromaticContact CD1-CZ3 3.9Å; Y103-W105 HydrophobicContact CD1-CZ3 3.9Å; Y103-W105 AromaticContact CE1-CH2 3.91Å; Y103-W105 HydrophobicContact CE1-CH2 3.91Å; Y103-W105 HydrophobicContact CE1-CZ2 4.24Å; Y103-W105 HydrophobicContact CE1-CZ3 4.33Å; Y103-W105 HydrophobicContact CG-CZ2 4.08Å; W105-H117 VanDerWaalsContact CB-CD2 3.4Å; W105-H117 WeakPolarHBondContact CB-CD2 3.43Å; W105-H117 WeakPolarHBondContact CB-NE2 3.31Å; W105-H117 AromaticContact CD1-CD2 3.77Å; W105-H117 AromaticContact CD1-CE1 3.99Å; W105-H117 AromaticContact CD1-CG 3.5Å; W105-H117 VanDerWaalsContact CD1-CG 3.5Å; W105-H117 AromaticContact CD1-ND1 3.65Å; W105-H117 AromaticContact CD2-CD2 3.96Å; W105-H117 AromaticContact CD2-CE1 3.17Å; W105-H117 AromaticContact CD2-ND1 3.53Å; W105-H117 AromaticContact CD2-NE2 3.47Å; W105-H117 AromaticContact CE2-CE1 3.49Å; W105-H117 VanDerWaalsContact CE2-CE1 3.49Å; W105-H117 AromaticContact CE2-ND1 3.43Å; W105-H117 AromaticContact CE3-CE1 3.36Å; W105-H117 AromaticContact CE3-NE2 3.68Å; W105-H117 HydrophobicContact CG-CB 4.46Å; W105-H117 AromaticContact CG-CD2 3.43Å; W105-H117 VanDerWaalsContact CG-CD2 3.43Å; W105-H117 AromaticContact CG-CE1 3.52Å; W105-H117 AromaticContact CG-CG 3.61Å; W105-H117 AromaticContact CG-ND1 3.66Å; W105-H117 AromaticContact CG-NE2 3.4Å; W105-H117 AromaticContact CZ2-CE1 3.93Å; W105-H117 AromaticContact CZ2-ND1 3.94Å; W105-H117 AromaticContact CZ3-CE1 3.88Å; W105-H117 AromaticContact NE1-CE1 3.99Å; W105-H117 AromaticContact NE1-CG 3.83Å; W105-H117 AromaticContact NE1-ND1 3.54Å; W105-H117 PolarHBondContact O-CD2 2.67Å; W105-T196 HydrophobicContact CB-CG2 4.23Å; W105-E399 WeakPolarHBondContact CZ2-OE1 3.44Å; W105-E399 WeakPolarHBondContact CZ2-OE2 3.37Å; W105-H401 AromaticContact CZ2-CD2 3.78Å; W105-H401 AromaticContact NE1-NE2 3.8Å
106	Y	98.8	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.			trans	-79.9	134	-177.8	-62.1	-70.7	0	0	0	110.2	H117 W118 Y156 S158 N398 W400 H401	Y106-H117 HydrophobicContact CD1-CB 3.76Å; Y106-H117 HydrophobicContact CE1-CB 3.97Å; Y106-W118 AromaticContact CD1-CD2 3.78Å; Y106-W118 HydrophobicContact CD1-CD2 3.78Å; Y106-W118 AromaticContact CD1-CE2 3.45Å; Y106-W118 VanDerWaalsContact CD1-CE2 3.45Å; Y106-W118 HydrophobicContact CD1-CE3 4.02Å; Y106-W118 HydrophobicContact CD1-CG 4.47Å; Y106-W118 AromaticContact CD1-CH2 3.69Å; Y106-W118 HydrophobicContact CD1-CH2 3.69Å; Y106-W118 AromaticContact CD1-CZ2 3.43Å; Y106-W118 HydrophobicContact CD1-CZ2 3.43Å; Y106-W118 VanDerWaalsContact CD1-CZ2 3.43Å; Y106-W118 AromaticContact CD1-CZ3 3.98Å; Y106-W118 HydrophobicContact CD1-CZ3 3.98Å; Y106-W118 AromaticContact CD1-NE1 3.97Å; Y106-W118 HydrophobicContact CD2-CZ2 4.38Å; Y106-W118 HydrophobicContact CE1-CD2 4.36Å; Y106-W118 HydrophobicContact CE1-CE3 4.14Å; Y106-W118 AromaticContact CE1-CH2 3.8Å; Y106-W118 HydrophobicContact CE1-CH2 3.8Å; Y106-W118 HydrophobicContact CE1-CZ2 4.04Å; Y106-W118 AromaticContact CE1-CZ3 3.85Å; Y106-W118 HydrophobicContact CE1-CZ3 3.85Å; Y106-W118 AromaticContact CG-CE2 3.88Å; Y106-W118 HydrophobicContact CG-CH2 4.17Å; Y106-W118 AromaticContact CG-CZ2 3.64Å; Y106-W118 HydrophobicContact CG-CZ2 3.64Å; Y106-Y156 AromaticContact CD2-CE2 3.61Å; Y106-Y156 HydrophobicContact CD2-CE2 3.61Å; Y106-Y156 AromaticContact CD2-CZ 3.82Å; Y106-Y156 VanDerWaalsContact CD2-OH 3.26Å; Y106-Y156 WeakPolarHBondContact CD2-OH 3.39Å; Y106-Y156 WeakPolarHBondContact CE2-OH 3.37Å; Y106-Y156 AromaticContact CG-CE2 3.8Å; Y106-Y156 HydrophobicContact CG-CE2 3.8Å; Y106-S158 PolarHBondContact N-OG 2.89Å; Y106-S158 WeakPolarHBondContact O-CB 3.43Å; Y106-S158 PolarHBondContact O-N 2.79Å; Y106-N398 WeakPolarHBondContact CE2-O 3.37Å; Y106-N398 PolarHBondContact OH-O 2.77Å; Y106-W400 AromaticContact CZ-CD1 3.81Å; Y106-W400 PolarHBondContact OH-N 2.66Å; Y106-W400 VanDerWaalsContact OH-N 3.14Å; Y106-H401 AromaticContact CE1-CE1 3.82Å; Y106-H401 AromaticContact CE1-NE2 3.67Å
107	G	98.7	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-137.2	153.4	179.4	0	0	0	0	0	112.8	D112 Y115 I116 W118	G107-D112 WeakPolarHBondContact CA-OD2 3.41Å; G107-Y115 WeakPolarHBondContact O-CA 3.29Å; G107-I116 PolarHBondContact N-O 3.4Å; G107-I116 PolarHBondContact O-N 2.9Å; G107-W118 VanDerWaalsContact O-CD1 3.31Å
108	N	98.6	Very high	98.5	Very high	19 Å²	19	30.7 Å²	30.7	10%	0.102	16%	0.163	C	C	.	.			trans	-135	169.1	177	74.2	22.2	0	0	0	112.5	Q110 F111 D112 G113 K114 Y115 A155 S157	N108-Q110 PolarHBondContact O-N 3.49Å; N108-Q110 PolarHBondContact OD1-N 3.26Å; N108-Q110 VanDerWaalsContact OD1-N 3.13Å; N108-F111 PolarHBondContact O-N 2.81Å; N108-F111 PolarHBondContact OD1-N 3.28Å; N108-D112 PolarHBondContact N-OD2 2.86Å; N108-D112 WeakPolarHBondContact O-CA 3.4Å; N108-D112 WeakPolarHBondContact O-CB 3.22Å; N108-D112 PolarHBondContact O-N 3.34Å; N108-G113 PolarHBondContact O-N 3.11Å; N108-K114 CarbonylContact C-O 3.44Å; N108-K114 WeakPolarHBondContact CA-O 3.5Å; N108-K114 PolarHBondContact N-O 3.32Å; N108-Y115 HydrophobicContact CB-CD1 4.05Å; N108-Y115 HydrophobicContact CB-CE1 3.82Å; N108-A155 WeakPolarHBondContact CB-O 3.32Å; N108-S157 PolarHBondContact ND2-N 3.37Å
109	T	98	Very high	98.5	Very high	84 Å²	84	31.5 Å²	31.5	52%	0.515	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.6	-175.9	51.3	0	0	0	0	114	G113 Y115	T109-G113 WeakPolarHBondContact O-CA 3.47Å; T109-G113 PolarHBondContact O-N 3.01Å; T109-Y115 HydrophobicContact CG2-CD2 4.12Å; T109-Y115 HydrophobicContact CG2-CE2 3.96Å
110	Q	98.1	Very high	98.5	Very high	156 Å²	156	31.9 Å²	31.9	73%	0.729	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-43.2	-177.5	-179.8	179.7	-7.1	0	0	112.7	N108	N108-Q110 PolarHBondContact O-N 3.49Å; N108-Q110 PolarHBondContact OD1-N 3.26Å; N108-Q110 VanDerWaalsContact OD1-N 3.13Å
111	F	98.1	Very high	98.4	Very high	76 Å²	76	33.3 Å²	33.3	33%	0.333	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-30	-174.8	-73.5	-94.4	0	0	0	113.1	N108 S157 D160	N108-F111 PolarHBondContact O-N 2.81Å; N108-F111 PolarHBondContact OD1-N 3.28Å; F111-S157 WeakPolarHBondContact CB-OG 3.49Å; F111-D160 HydrophobicContact CD1-CB 4.1Å; F111-D160 HydrophobicContact CD2-CB 4.05Å; F111-D160 HydrophobicContact CE1-CB 3.79Å; F111-D160 HydrophobicContact CE2-CB 3.73Å; F111-D160 VanDerWaalsContact CE2-OD2 3.27Å; F111-D160 WeakPolarHBondContact CE2-OD2 3.37Å; F111-D160 HydrophobicContact CG-CB 4.23Å; F111-D160 HydrophobicContact CZ-CB 3.59Å; F111-D160 VanDerWaalsContact CZ-OD2 3.3Å; F111-D160 WeakPolarHBondContact CZ-OD2 3.28Å
112	D	98.3	Very high	98.3	Very high	34 Å²	34	34.9 Å²	34.9	18%	0.182	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-3.2	-172.2	-48.6	-96.1	0	0	0	112.4	G107 N108 K114 I116 S157 R159	G107-D112 WeakPolarHBondContact CA-OD2 3.41Å; N108-D112 PolarHBondContact N-OD2 2.86Å; N108-D112 WeakPolarHBondContact O-CA 3.4Å; N108-D112 WeakPolarHBondContact O-CB 3.22Å; N108-D112 PolarHBondContact O-N 3.34Å; D112-K114 PolarHBondContact O-N 2.87Å; D112-K114 VanDerWaalsContact O-N 3.12Å; D112-I116 HydrophobicContact CB-CD1 3.81Å; D112-S157 WeakPolarHBondContact OD2-CB 3.47Å; D112-S157 PolarHBondContact OD2-OG 2.84Å; D112-R159 WeakPolarHBondContact OD1-CD 3.14Å; D112-R159 IonicContact OD1-CZ 2.7Å; D112-R159 IonicContact OD1-NH1 3.95Å; D112-R159 PolarHBondContact OD1-NH1 2.8Å; D112-R159 VanDerWaalsContact OD1-NH1 3.09Å
113	G	98.1	Very high	98.2	Very high	65 Å²	65	37 Å²	37	67%	0.67	20%	0.198	S	C	*	.	S	Bend	trans	74.9	-10.9	-179	0	0	0	0	0	114.9	N108 T109	N108-G113 PolarHBondContact O-N 3.11Å; T109-G113 WeakPolarHBondContact O-CA 3.47Å; T109-G113 PolarHBondContact O-N 3.01Å
114	K	98.3	Very high	98	Very high	102 Å²	102	41.3 Å²	41.3	44%	0.443	23%	0.226	S	C	.	.	S	Bend	trans	-153.6	163	175.5	61	179.6	-179.1	178.1	0	110.2	N108 D112 I116 E194	N108-K114 CarbonylContact C-O 3.44Å; N108-K114 WeakPolarHBondContact CA-O 3.5Å; N108-K114 PolarHBondContact N-O 3.32Å; D112-K114 PolarHBondContact O-N 2.87Å; D112-K114 VanDerWaalsContact O-N 3.12Å; K114-I116 HydrophobicContact CG-CG1 4.02Å; K114-E194 IonicContact NZ-OE1 3.89Å; K114-E194 PolarHBondContact NZ-OE1 2.86Å
115	Y	98.6	Very high	97.9	Very high	49 Å²	49	42.7 Å²	42.7	19%	0.192	23%	0.232	C	C	.	.			trans	-69.3	141.8	164.7	-70.3	-72	0	0	0	110.2	G107 N108 T109 W118 P141 A155	G107-Y115 WeakPolarHBondContact O-CA 3.29Å; N108-Y115 HydrophobicContact CB-CD1 4.05Å; N108-Y115 HydrophobicContact CB-CE1 3.82Å; T109-Y115 HydrophobicContact CG2-CD2 4.12Å; T109-Y115 HydrophobicContact CG2-CE2 3.96Å; Y115-W118 HydrophobicContact CD1-CB 4.25Å; Y115-P141 HydrophobicContact CD1-CB 3.69Å; Y115-P141 HydrophobicContact CD1-CG 4.14Å; Y115-P141 HydrophobicContact CD2-CB 3.74Å; Y115-P141 HydrophobicContact CD2-CG 4.15Å; Y115-P141 HydrophobicContact CE1-CB 3.75Å; Y115-P141 HydrophobicContact CE2-CB 3.79Å; Y115-P141 HydrophobicContact CG-CB 3.69Å; Y115-P141 HydrophobicContact CG-CG 3.86Å; Y115-A155 HydrophobicContact CD1-CB 4.41Å; Y115-A155 HydrophobicContact CE1-CB 3.85Å
116	I	98.6	Very high	97.6	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.056	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-136.5	135.1	176	-48.6	172	0	0	0	106.3	G107 D112 K114 W118 E194	G107-I116 PolarHBondContact N-O 3.4Å; G107-I116 PolarHBondContact O-N 2.9Å; D112-I116 HydrophobicContact CB-CD1 3.81Å; K114-I116 HydrophobicContact CG-CG1 4.02Å; I116-W118 PolarHBondContact O-N 3.49Å; I116-E194 HydrophobicContact CD1-CB 4.27Å; I116-E194 HydrophobicContact CD1-CG 3.76Å; I116-E194 HydrophobicContact CG1-CG 4.46Å; I116-E194 HydrophobicContact CG2-CG 4.22Å
117	H	98.4	Very high	97.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	28%	0.278	C	S	.	.	S	Bend	trans	61.7	-40.7	-171.1	-83.1	-94.7	0	0	0	115.5	W105 Y106 D119 H120 D190 G193 H401	W105-H117 VanDerWaalsContact CB-CD2 3.4Å; W105-H117 WeakPolarHBondContact CB-CD2 3.43Å; W105-H117 WeakPolarHBondContact CB-NE2 3.31Å; W105-H117 AromaticContact CD1-CD2 3.77Å; W105-H117 AromaticContact CD1-CE1 3.99Å; W105-H117 AromaticContact CD1-CG 3.5Å; W105-H117 VanDerWaalsContact CD1-CG 3.5Å; W105-H117 AromaticContact CD1-ND1 3.65Å; W105-H117 AromaticContact CD2-CD2 3.96Å; W105-H117 AromaticContact CD2-CE1 3.17Å; W105-H117 AromaticContact CD2-ND1 3.53Å; W105-H117 AromaticContact CD2-NE2 3.47Å; W105-H117 AromaticContact CE2-CE1 3.49Å; W105-H117 VanDerWaalsContact CE2-CE1 3.49Å; W105-H117 AromaticContact CE2-ND1 3.43Å; W105-H117 AromaticContact CE3-CE1 3.36Å; W105-H117 AromaticContact CE3-NE2 3.68Å; W105-H117 HydrophobicContact CG-CB 4.46Å; W105-H117 AromaticContact CG-CD2 3.43Å; W105-H117 VanDerWaalsContact CG-CD2 3.43Å; W105-H117 AromaticContact CG-CE1 3.52Å; W105-H117 AromaticContact CG-CG 3.61Å; W105-H117 AromaticContact CG-ND1 3.66Å; W105-H117 AromaticContact CG-NE2 3.4Å; W105-H117 AromaticContact CZ2-CE1 3.93Å; W105-H117 AromaticContact CZ2-ND1 3.94Å; W105-H117 AromaticContact CZ3-CE1 3.88Å; W105-H117 AromaticContact NE1-CE1 3.99Å; W105-H117 AromaticContact NE1-CG 3.83Å; W105-H117 AromaticContact NE1-ND1 3.54Å; W105-H117 PolarHBondContact O-CD2 2.67Å; Y106-H117 HydrophobicContact CD1-CB 3.76Å; Y106-H117 HydrophobicContact CE1-CB 3.97Å; H117-D119 VanDerWaalsContact C-N 3.26Å; H117-D119 PolarHBondContact O-N 2.73Å; H117-H120 VanDerWaalsContact O-CB 3.31Å; H117-H120 WeakPolarHBondContact O-CB 3.46Å; H117-H120 PolarHBondContact O-N 3.16Å; H117-H120 VanDerWaalsContact O-N 3.11Å; H117-D190 IonicContact CE1-OD1 3.92Å; H117-D190 PolarHBondContact CE1-OD1 3.13Å; H117-D190 IonicContact CE1-OD2 3.57Å; H117-D190 IonicContact NE2-OD1 3.11Å; H117-D190 PolarHBondContact NE2-OD1 3.32Å; H117-D190 IonicContact NE2-OD2 3.87Å; H117-D190 PolarHBondContact NE2-OD2 3.18Å; H117-G193 WeakPolarHBondContact NE2-CA 3.43Å; H117-G193 PolarHBondContact NE2-N 2.84Å; H117-H401 AromaticContact CG-NE2 3.64Å; H117-H401 AromaticContact ND1-CD2 3.81Å; H117-H401 AromaticContact ND1-NE2 3.04Å; H117-H401 PolarHBondContact ND1-NE2 2.95Å; H117-H401 PolarHBondContact O-CE1 3.41Å
118	W	98.6	Very high	97.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37	176.1	-62.8	123.9	0	0	0	112.4	Y106 G107 Y115 I116 H120 P141 I145 G146 P151 A155 Y156 W400	Y106-W118 AromaticContact CD1-CD2 3.78Å; Y106-W118 HydrophobicContact CD1-CD2 3.78Å; Y106-W118 AromaticContact CD1-CE2 3.45Å; Y106-W118 VanDerWaalsContact CD1-CE2 3.45Å; Y106-W118 HydrophobicContact CD1-CE3 4.02Å; Y106-W118 HydrophobicContact CD1-CG 4.47Å; Y106-W118 AromaticContact CD1-CH2 3.69Å; Y106-W118 HydrophobicContact CD1-CH2 3.69Å; Y106-W118 AromaticContact CD1-CZ2 3.43Å; Y106-W118 HydrophobicContact CD1-CZ2 3.43Å; Y106-W118 VanDerWaalsContact CD1-CZ2 3.43Å; Y106-W118 AromaticContact CD1-CZ3 3.98Å; Y106-W118 HydrophobicContact CD1-CZ3 3.98Å; Y106-W118 AromaticContact CD1-NE1 3.97Å; Y106-W118 HydrophobicContact CD2-CZ2 4.38Å; Y106-W118 HydrophobicContact CE1-CD2 4.36Å; Y106-W118 HydrophobicContact CE1-CE3 4.14Å; Y106-W118 AromaticContact CE1-CH2 3.8Å; Y106-W118 HydrophobicContact CE1-CH2 3.8Å; Y106-W118 HydrophobicContact CE1-CZ2 4.04Å; Y106-W118 AromaticContact CE1-CZ3 3.85Å; Y106-W118 HydrophobicContact CE1-CZ3 3.85Å; Y106-W118 AromaticContact CG-CE2 3.88Å; Y106-W118 HydrophobicContact CG-CH2 4.17Å; Y106-W118 AromaticContact CG-CZ2 3.64Å; Y106-W118 HydrophobicContact CG-CZ2 3.64Å; G107-W118 VanDerWaalsContact O-CD1 3.31Å; Y115-W118 HydrophobicContact CD1-CB 4.25Å; I116-W118 PolarHBondContact O-N 3.49Å; W118-H120 PolarHBondContact O-N 3.26Å; W118-P141 VanDerWaalsContact C-CG 3.41Å; W118-P141 HydrophobicContact CB-CB 4.13Å; W118-P141 HydrophobicContact CB-CG 3.57Å; W118-I145 HydrophobicContact CB-CG2 4.24Å; W118-I145 HydrophobicContact CE3-CB 4.15Å; W118-I145 HydrophobicContact CE3-CD1 3.92Å; W118-I145 HydrophobicContact CE3-CG2 4.39Å; W118-I145 HydrophobicContact CZ3-CD1 3.93Å; W118-I145 CarbonylContact O-C 3.43Å; W118-I145 WeakPolarHBondContact O-CA 3.34Å; W118-G146 PolarHBondContact O-N 3.19Å; W118-P151 HydrophobicContact CH2-CG 3.47Å; W118-P151 VanDerWaalsContact CH2-CG 3.47Å; W118-P151 HydrophobicContact CZ2-CG 4.24Å; W118-P151 HydrophobicContact CZ3-CG 3.9Å; W118-A155 HydrophobicContact CB-CB 4.4Å; W118-A155 HydrophobicContact CD2-CB 4.17Å; W118-A155 HydrophobicContact CG-CB 3.87Å; W118-A155 VanDerWaalsContact NE1-C 3.29Å; W118-Y156 HydrophobicContact CH2-CD1 4.4Å; W118-Y156 AromaticContact CH2-CE1 3.92Å; W118-Y156 HydrophobicContact CH2-CE1 3.92Å; W118-Y156 AromaticContact CZ2-CD1 3.79Å; W118-Y156 HydrophobicContact CZ2-CD1 3.79Å; W118-Y156 HydrophobicContact CZ2-CD2 4.1Å; W118-Y156 AromaticContact CZ2-CE1 3.63Å; W118-Y156 HydrophobicContact CZ2-CE1 3.63Å; W118-Y156 AromaticContact CZ2-CE2 3.9Å; W118-Y156 HydrophobicContact CZ2-CE2 3.9Å; W118-Y156 HydrophobicContact CZ2-CG 4.02Å; W118-Y156 AromaticContact CZ2-CZ 3.66Å; W118-Y156 PolarHBondContact NE1-O 2.78Å; W118-W400 HydrophobicContact CH2-CB 4.3Å; W118-W400 AromaticContact CH2-CD1 3.59Å; W118-W400 HydrophobicContact CH2-CD2 4.45Å; W118-W400 AromaticContact CH2-CG 3.86Å; W118-W400 HydrophobicContact CH2-CG 3.86Å; W118-W400 HydrophobicContact CZ3-CB 3.94Å; W118-W400 AromaticContact CZ3-CG 3.95Å; W118-W400 HydrophobicContact CZ3-CG 3.95Å
119	D	98.1	Very high	97	Very high	21 Å²	21	65.6 Å²	65.6	11%	0.112	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	42.8	172.6	69.1	-34.6	0	0	0	111	H117 R138 P141	H117-D119 VanDerWaalsContact C-N 3.26Å; H117-D119 PolarHBondContact O-N 2.73Å; D119-R138 HydrophobicContact CB-CG 4.35Å; D119-R138 WeakPolarHBondContact O-CD 3.48Å; D119-R138 WeakPolarHBondContact O-CG 3.29Å; D119-R138 VanDerWaalsContact O-CZ 3.22Å; D119-R138 PolarHBondContact O-NE 2.96Å; D119-R138 PolarHBondContact O-NH2 3.26Å; D119-R138 IonicContact OD1-NH2 2.73Å; D119-R138 IonicContact OD2-CZ 3.72Å; D119-R138 IonicContact OD2-NE 3.02Å; D119-R138 IonicContact OD2-NH1 3.19Å; D119-R138 PolarHBondContact OD2-NH1 3.16Å; D119-R138 IonicContact OD2-NH2 3.07Å; D119-R138 PolarHBondContact OD2-NH2 2.75Å; D119-P141 HydrophobicContact CB-CG 3.98Å
120	H	98.3	Very high	96.7	Very high	9 Å²	9	64.2 Å²	64.2	4%	0.042	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-61.1	142.5	-177.7	-155.6	-83.2	0	0	0	111.4	H117 W118 H139 N192 I360	H117-H120 VanDerWaalsContact O-CB 3.31Å; H117-H120 WeakPolarHBondContact O-CB 3.46Å; H117-H120 PolarHBondContact O-N 3.16Å; H117-H120 VanDerWaalsContact O-N 3.11Å; W118-H120 PolarHBondContact O-N 3.26Å; H120-H139 PolarHBondContact O-CD2 3.23Å; H120-H139 VanDerWaalsContact O-CD2 3.23Å; H120-H139 PolarHBondContact O-N 3.34Å; H120-H139 VanDerWaalsContact O-N 3.08Å; H120-N192 PolarHBondContact NE2-ND2 3.02Å; H120-I360 HydrophobicContact CB-CG2 3.7Å; H120-I360 WeakPolarHBondContact ND1-CG2 3.47Å
121	P	97.6	Very high	96.5	Very high	31 Å²	31	57.1 Å²	57.1	20%	0.201	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-72.7	153.5	168.4	30.5	-35.4	0	0	0	112.1	L123 G137 N192	P121-L123 HydrophobicContact CG-CD2 4.49Å; P121-L123 PolarHBondContact O-N 3.42Å; P121-G137 WeakPolarHBondContact CA-O 3.22Å; P121-N192 WeakPolarHBondContact CD-OD1 3.09Å; P121-N192 WeakPolarHBondContact CG-OD1 3.44Å
122	L	97.1	Very high	96.2	Very high	32 Å²	32	57 Å²	57	17%	0.168	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-74.5	119.8	166.3	-75	78.4	0	0	0	108.8	P135 G137 P362	L122-P135 HydrophobicContact CD2-CB 3.92Å; L122-P135 HydrophobicContact CD2-CG 3.71Å; L122-G137 PolarHBondContact N-O 3.3Å; L122-P362 HydrophobicContact CD2-CG 3.88Å
123	L	96.4	Very high	96	Very high	45 Å²	45	58.5 Å²	58.5	24%	0.236	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-77.7	126.8	-175.9	-63.1	178.8	0	0	0	110.7	P121 I360 R361 W363	P121-L123 HydrophobicContact CG-CD2 4.49Å; P121-L123 PolarHBondContact O-N 3.42Å; L123-I360 WeakPolarHBondContact CB-O 3.43Å; L123-I360 HydrophobicContact CD1-CD1 4.43Å; L123-I360 PolarHBondContact N-O 2.9Å; L123-R361 HydrophobicContact CB-CG 4.33Å; L123-R361 HydrophobicContact CD1-CG 4.05Å; L123-W363 PolarHBondContact O-NE1 3.36Å
124	P	95.1	Very high	95.8	Very high	92 Å²	92	58.9 Å²	58.9	60%	0.597	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-67.7	148.5	177.9	29.7	-34.5	0	0	0	110.7	A131	P124-A131 HydrophobicContact CB-CB 4.26Å
125	H	95.6	Very high	95.5	Very high	33 Å²	33	58 Å²	58	15%	0.153	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.5	146.1	165.7	-172.9	-86.9	0	0	0	109.6	D127 V130 A131 W363	H125-D127 VanDerWaalsContact C-N 3.3Å; H125-D127 WeakPolarHBondContact ND1-CB 3.29Å; H125-D127 PolarHBondContact ND1-N 3.27Å; H125-D127 PolarHBondContact ND1-O 2.83Å; H125-D127 PolarHBondContact O-N 3.16Å; H125-V130 HydrophobicContact CB-CB 4.27Å; H125-V130 HydrophobicContact CB-CG1 3.99Å; H125-A131 HydrophobicContact CB-CB 4.13Å; H125-W363 HydrophobicContact CB-CB 4.43Å; H125-W363 HydrophobicContact CB-CD2 4.2Å; H125-W363 HydrophobicContact CB-CG 3.9Å; H125-W363 AromaticContact CD2-CD2 3.63Å; H125-W363 AromaticContact CD2-CE3 3.65Å; H125-W363 AromaticContact CD2-CG 3.8Å
126	W	92.7	Very high	95.2	Very high	215 Å²	215	64.5 Å²	64.5	81%	0.814	35%	0.347	S	S	*	.	S	Bend	trans	-64.2	-32.9	-177.8	59.8	-92.7	0	0	0	113
127	D	94.3	Very high	95.1	Very high	51 Å²	51	66.1 Å²	66.1	27%	0.273	37%	0.366	S	S	.	.	S	Bend	trans	-78.2	115.2	166.9	-175.1	-24	0	0	0	110	H125 K129 V130 A131	H125-D127 VanDerWaalsContact C-N 3.3Å; H125-D127 WeakPolarHBondContact ND1-CB 3.29Å; H125-D127 PolarHBondContact ND1-N 3.27Å; H125-D127 PolarHBondContact ND1-O 2.83Å; H125-D127 PolarHBondContact O-N 3.16Å; D127-K129 VanDerWaalsContact C-N 3.26Å; D127-K129 PolarHBondContact O-N 2.76Å; D127-K129 WeakPolarHBondContact OD1-CB 3.28Å; D127-K129 PolarHBondContact OD1-N 2.91Å; D127-V130 HydrophobicContact CB-CB 4.17Å; D127-V130 HydrophobicContact CB-CG2 3.94Å; D127-V130 PolarHBondContact O-N 3.25Å; D127-V130 VanDerWaalsContact O-N 3.15Å; D127-A131 WeakPolarHBondContact O-CB 3.19Å; D127-A131 PolarHBondContact O-N 3.48Å
128	S	93.1	Very high	95	Very high	92 Å²	92	72.2 Å²	72.2	64%	0.643	39%	0.389	S	S	*	.	H	α-helix	trans	-62	-28.2	-178.1	62.1	0	0	0	0	114.1	A132	S128-A132 PolarHBondContact O-N 3.15Å
129	K	94.7	Very high	94.9	Very high	177 Å²	177	73.2 Å²	73.2	77%	0.77	39%	0.394	S	S	*	.	H	α-helix	trans	-71.4	-41.2	175.9	-66.5	-178.9	179.2	176.6	0	111.1	D127 A132	D127-K129 VanDerWaalsContact C-N 3.26Å; D127-K129 PolarHBondContact O-N 2.76Å; D127-K129 WeakPolarHBondContact OD1-CB 3.28Å; D127-K129 PolarHBondContact OD1-N 2.91Å; K129-A132 PolarHBondContact O-N 2.79Å
130	V	93	Very high	94.9	Very high	55 Å²	55	76.2 Å²	76.2	33%	0.333	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-42.9	174.4	178.6	0	0	0	0	109.8	H125 D127 A132 G133 Y134	H125-V130 HydrophobicContact CB-CB 4.27Å; H125-V130 HydrophobicContact CB-CG1 3.99Å; D127-V130 HydrophobicContact CB-CB 4.17Å; D127-V130 HydrophobicContact CB-CG2 3.94Å; D127-V130 PolarHBondContact O-N 3.25Å; D127-V130 VanDerWaalsContact O-N 3.15Å; V130-A132 PolarHBondContact O-N 2.93Å; V130-G133 PolarHBondContact O-N 2.92Å; V130-Y134 HydrophobicContact CG1-CD2 4.24Å; V130-Y134 HydrophobicContact CG1-CE2 3.72Å; V130-Y134 WeakPolarHBondContact O-CD2 3.33Å
131	A	93	Very high	94.9	Very high	7 Å²	7	76.8 Å²	76.8	6%	0.058	42%	0.421	C	S	.	.	H	α-helix	trans	-61.1	-25.5	179.2	0	0	0	0	0	113.8	P124 H125 D127 G133 Y134	P124-A131 HydrophobicContact CB-CB 4.26Å; H125-A131 HydrophobicContact CB-CB 4.13Å; D127-A131 WeakPolarHBondContact O-CB 3.19Å; D127-A131 PolarHBondContact O-N 3.48Å; A131-G133 PolarHBondContact O-N 3.39Å; A131-Y134 PolarHBondContact O-N 3.36Å
132	A	92.6	Very high	94.8	Very high	75 Å²	75	78.1 Å²	78.1	62%	0.62	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.7	174.4	0	0	0	0	0	113.1	S128 K129 V130	S128-A132 PolarHBondContact O-N 3.15Å; K129-A132 PolarHBondContact O-N 2.79Å; V130-A132 PolarHBondContact O-N 2.93Å
133	G	93.6	Very high	94.8	Very high	65 Å²	65	80.6 Å²	80.6	67%	0.67	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.1	178.3	0	0	0	0	0	115.1	V130 A131	V130-G133 PolarHBondContact O-N 2.92Å; A131-G133 PolarHBondContact O-N 3.39Å
134	Y	93.7	Very high	94.9	Very high	72 Å²	72	79.9 Å²	79.9	28%	0.282	44%	0.439	S	S	.	.	S	Bend	trans	-116.5	151.2	-177.1	-70.7	-73.9	0	0	0	112.1	V130 A131 P362 W363	V130-Y134 HydrophobicContact CG1-CD2 4.24Å; V130-Y134 HydrophobicContact CG1-CE2 3.72Å; V130-Y134 WeakPolarHBondContact O-CD2 3.33Å; A131-Y134 PolarHBondContact O-N 3.36Å; Y134-P362 HydrophobicContact CD1-CB 3.52Å; Y134-P362 HydrophobicContact CE1-CB 4.16Å; Y134-P362 WeakPolarHBondContact CE1-O 3.38Å; Y134-P362 HydrophobicContact CG-CB 4.18Å; Y134-W363 HydrophobicContact CD2-CB 3.83Å; Y134-W363 HydrophobicContact CE1-CB 4.11Å; Y134-W363 HydrophobicContact CE2-CB 3.41Å; Y134-W363 VanDerWaalsContact CE2-CB 3.41Å; Y134-W363 HydrophobicContact CG-CB 4.36Å; Y134-W363 VanDerWaalsContact CZ-CA 3.45Å
135	P	92.3	Very high	95	Very high	84 Å²	84	75.5 Å²	75.5	55%	0.545	41%	0.411	S	S	.	.			trans	-62.2	153.7	177.5	25.5	-32.9	0	0	0	111.5	L122 P362	L122-P135 HydrophobicContact CD2-CB 3.92Å; L122-P135 HydrophobicContact CD2-CG 3.71Å; P135-P362 HydrophobicContact CG-CB 4.5Å; P135-P362 HydrophobicContact CG-CG 4.15Å
136	R	93	Very high	95.1	Very high	186 Å²	186	74 Å²	74	70%	0.702	40%	0.404	S	S	*	.			trans	-126.7	157.3	174.9	-60.5	-179.8	-173.6	173.9	0.3	108.6
137	G	95.1	Very high	95.4	Very high	45 Å²	45	63.9 Å²	63.9	46%	0.464	37%	0.367	S	S	.	.			trans	139.7	-161.1	176.8	0	0	0	0	0	110.8	P121 L122	P121-G137 WeakPolarHBondContact CA-O 3.22Å; L122-G137 PolarHBondContact N-O 3.3Å
138	R	96.6	Very high	95.6	Very high	129 Å²	129	62.8 Å²	62.8	49%	0.487	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-136.3	139.7	-178.2	-164.1	170.9	-136.3	-146.9	-12.3	108.8	D119	D119-R138 HydrophobicContact CB-CG 4.35Å; D119-R138 WeakPolarHBondContact O-CD 3.48Å; D119-R138 WeakPolarHBondContact O-CG 3.29Å; D119-R138 VanDerWaalsContact O-CZ 3.22Å; D119-R138 PolarHBondContact O-NE 2.96Å; D119-R138 PolarHBondContact O-NH2 3.26Å; D119-R138 IonicContact OD1-NH2 2.73Å; D119-R138 IonicContact OD2-CZ 3.72Å; D119-R138 IonicContact OD2-NE 3.02Å; D119-R138 IonicContact OD2-NH1 3.19Å; D119-R138 PolarHBondContact OD2-NH1 3.16Å; D119-R138 IonicContact OD2-NH2 3.07Å; D119-R138 PolarHBondContact OD2-NH2 2.75Å
139	H	97.6	Very high	95.9	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.102	33%	0.332	C	S	.	.			trans	-62.6	150.4	173.6	-71.2	-78.8	0	0	0	111.1	H120 P141 D144 I145 G146 S359	H120-H139 PolarHBondContact O-CD2 3.23Å; H120-H139 VanDerWaalsContact O-CD2 3.23Å; H120-H139 PolarHBondContact O-N 3.34Å; H120-H139 VanDerWaalsContact O-N 3.08Å; H139-P141 WeakPolarHBondContact O-CD 3.27Å; H139-D144 VanDerWaalsContact CA-OD2 3.27Å; H139-D144 WeakPolarHBondContact CA-OD2 3.18Å; H139-D144 IonicContact CE1-OD1 2.77Å; H139-D144 IonicContact CG-OD1 2.66Å; H139-D144 IonicContact ND1-OD1 3.83Å; H139-D144 PolarHBondContact ND1-OD1 3.12Å; H139-D144 IonicContact ND1-OD2 3.67Å; H139-I145 PolarHBondContact ND1-O 2.86Å; H139-G146 WeakPolarHBondContact CD2-CA 3.45Å; H139-S359 PolarHBondContact NE2-O 3.29Å; H139-S359 VanDerWaalsContact NE2-O 3.07Å
140	S	97.2	Very high	96.1	Very high	84 Å²	84	51 Å²	51	59%	0.587	30%	0.297	S	S	*	.			trans	-118.9	84.2	-178.9	-63.1	0	0	0	0	112.7	D144	S140-D144 CarbonylContact C-O 3.58Å; S140-D144 PolarHBondContact N-O 3.16Å; S140-D144 PolarHBondContact N-OD2 2.88Å; S140-D144 PolarHBondContact O-N 3.04Å
141	P	97.8	Very high	96.3	Very high	21 Å²	21	48.3 Å²	48.3	14%	0.136	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	157.2	-179.8	-21.7	33.3	0	0	0	112.4	Y115 W118 D119 H139 D144 I145 A155	Y115-P141 HydrophobicContact CD1-CB 3.69Å; Y115-P141 HydrophobicContact CD1-CG 4.14Å; Y115-P141 HydrophobicContact CD2-CB 3.74Å; Y115-P141 HydrophobicContact CD2-CG 4.15Å; Y115-P141 HydrophobicContact CE1-CB 3.75Å; Y115-P141 HydrophobicContact CE2-CB 3.79Å; Y115-P141 HydrophobicContact CG-CB 3.69Å; Y115-P141 HydrophobicContact CG-CG 3.86Å; W118-P141 VanDerWaalsContact C-CG 3.41Å; W118-P141 HydrophobicContact CB-CB 4.13Å; W118-P141 HydrophobicContact CB-CG 3.57Å; D119-P141 HydrophobicContact CB-CG 3.98Å; H139-P141 WeakPolarHBondContact O-CD 3.27Å; P141-D144 WeakPolarHBondContact CA-O 3.46Å; P141-D144 WeakPolarHBondContact CD-O 3.11Å; P141-I145 HydrophobicContact CB-CG2 4Å; P141-I145 HydrophobicContact CG-CG2 4.18Å; P141-A155 HydrophobicContact CB-CB 4.45Å
142	P	97	Very high	96.6	Very high	59 Å²	59	49.8 Å²	49.8	38%	0.383	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.5	-15.6	12	33.1	-35.6	0	0	0	115	Y150 A155	P142-Y150 VanDerWaalsContact O-CE2 3.26Å; P142-Y150 WeakPolarHBondContact O-CE2 3.49Å; P142-Y150 PolarHBondContact O-OH 3.48Å; P142-A155 HydrophobicContact CB-CB 4.45Å
143	D	96.9	Very high	96.9	Very high	83 Å²	83	49.4 Å²	49.4	44%	0.444	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-24.9	-171.1	-72.5	-39.1	0	0	0	114.3	K412 S414 Y418	D143-K412 WeakPolarHBondContact OD1-CE 3.43Å; D143-K412 IonicContact OD1-NZ 3.26Å; D143-K412 PolarHBondContact OD1-NZ 3.48Å; D143-S414 PolarHBondContact O-OG 3.37Å; D143-Y418 PolarHBondContact O-OH 2.97Å
144	D	97.5	Very high	97.1	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	26%	0.257	C	S	.	.	S	Bend	trans	-116.9	103.8	173.2	172.3	39.7	0	0	0	108.9	H139 S140 P141 Y418	H139-D144 VanDerWaalsContact CA-OD2 3.27Å; H139-D144 WeakPolarHBondContact CA-OD2 3.18Å; H139-D144 IonicContact CE1-OD1 2.77Å; H139-D144 IonicContact CG-OD1 2.66Å; H139-D144 IonicContact ND1-OD1 3.83Å; H139-D144 PolarHBondContact ND1-OD1 3.12Å; H139-D144 IonicContact ND1-OD2 3.67Å; S140-D144 CarbonylContact C-O 3.58Å; S140-D144 PolarHBondContact N-O 3.16Å; S140-D144 PolarHBondContact N-OD2 2.88Å; S140-D144 PolarHBondContact O-N 3.04Å; P141-D144 WeakPolarHBondContact CA-O 3.46Å; P141-D144 WeakPolarHBondContact CD-O 3.11Å; D144-Y418 VanDerWaalsContact CA-OH 3.32Å; D144-Y418 WeakPolarHBondContact CA-OH 3.34Å
145	I	98.3	Very high	97.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.248	C	C	.	.			trans	-115.1	154.2	-179.4	63.1	169.5	0	0	0	110.1	W118 H139 P141 A147 Y150 P151 A155 Y418	W118-I145 HydrophobicContact CB-CG2 4.24Å; W118-I145 HydrophobicContact CE3-CB 4.15Å; W118-I145 HydrophobicContact CE3-CD1 3.92Å; W118-I145 HydrophobicContact CE3-CG2 4.39Å; W118-I145 HydrophobicContact CZ3-CD1 3.93Å; W118-I145 CarbonylContact O-C 3.43Å; W118-I145 WeakPolarHBondContact O-CA 3.34Å; H139-I145 PolarHBondContact ND1-O 2.86Å; P141-I145 HydrophobicContact CB-CG2 4Å; P141-I145 HydrophobicContact CG-CG2 4.18Å; I145-A147 HydrophobicContact CD1-CB 3.96Å; I145-A147 HydrophobicContact CG1-CB 4.13Å; I145-A147 PolarHBondContact O-N 3.19Å; I145-Y150 HydrophobicContact CD1-CD2 3.52Å; I145-Y150 HydrophobicContact CD1-CE2 3.78Å; I145-Y150 HydrophobicContact CD1-CG 4.35Å; I145-Y150 HydrophobicContact CG1-CD2 3.92Å; I145-Y150 HydrophobicContact CG1-CE2 4.04Å; I145-Y150 HydrophobicContact CG2-CE2 4.14Å; I145-P151 HydrophobicContact CD1-CG 4.47Å; I145-A155 HydrophobicContact CG2-CB 4.22Å; I145-Y418 HydrophobicContact CD1-CE1 4.33Å; I145-Y418 HydrophobicContact CG1-CE1 3.68Å; I145-Y418 PolarHBondContact N-OH 2.94Å
146	G	97.9	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-71.4	55.2	174.3	0	0	0	0	0	113.7	W118 H139 H401	W118-G146 PolarHBondContact O-N 3.19Å; H139-G146 WeakPolarHBondContact CD2-CA 3.45Å; G146-H401 PolarHBondContact O-ND1 2.98Å
147	A	98.2	Very high	97.9	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	19%	0.19	C	C	.	.	S	Bend	trans	-150.8	151.8	177.2	0	0	0	0	0	110.4	I145 F149 S359 W400 Y418	I145-A147 HydrophobicContact CD1-CB 3.96Å; I145-A147 HydrophobicContact CG1-CB 4.13Å; I145-A147 PolarHBondContact O-N 3.19Å; A147-F149 WeakPolarHBondContact CB-O 3.44Å; A147-S359 WeakPolarHBondContact CA-OG 3.36Å; A147-S359 PolarHBondContact N-OG 3.16Å; A147-W400 HydrophobicContact CB-CB 3.95Å; A147-W400 WeakPolarHBondContact CB-O 3.5Å; A147-Y418 WeakPolarHBondContact O-CE1 3.5Å
148	N	98.6	Very high	98.1	Very high	27 Å²	27	29.6 Å²	29.6	14%	0.144	17%	0.168	C	C	.	.	S	Bend	trans	-85.9	-12.9	176.2	-70.7	81	0	0	0	113.2	I356 T358 S359 L419	N148-I356 HydrophobicContact CB-CD1 4.21Å; N148-I356 HydrophobicContact CB-CG1 4.18Å; N148-I356 HydrophobicContact CB-CG2 3.84Å; N148-I356 WeakPolarHBondContact ND2-CD1 3.26Å; N148-I356 PolarHBondContact OD1-O 3.07Å; N148-T358 PolarHBondContact ND2-OG1 3.46Å; N148-T358 PolarHBondContact OD1-N 3.07Å; N148-S359 WeakPolarHBondContact OD1-CB 3.48Å; N148-S359 PolarHBondContact OD1-N 3.09Å; N148-S359 PolarHBondContact OD1-OG 3.33Å; N148-L419 WeakPolarHBondContact O-CB 3.35Å; N148-L419 PolarHBondContact O-N 2.72Å
149	F	98.8	Very high	98.2	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.035	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-120.8	159.5	174.3	-67	-96.3	0	0	0	109.4	A147 I356 R371 W400 Q405 A409 L419 Y421	A147-F149 WeakPolarHBondContact CB-O 3.44Å; F149-I356 HydrophobicContact CD2-CG2 4.36Å; F149-I356 HydrophobicContact CE2-CG2 3.67Å; F149-R371 HydrophobicContact CZ-CG 4.49Å; F149-W400 HydrophobicContact CB-CE3 4.04Å; F149-W400 HydrophobicContact CB-CZ3 3.7Å; F149-Q405 VanDerWaalsContact CG-NE2 3.29Å; F149-A409 HydrophobicContact CB-CB 4.35Å; F149-A409 HydrophobicContact CD1-CB 4.47Å; F149-L419 HydrophobicContact CD1-CB 3.7Å; F149-L419 WeakPolarHBondContact CD1-O 3.33Å; F149-L419 HydrophobicContact CD2-CB 4.35Å; F149-L419 HydrophobicContact CE1-CB 3.44Å; F149-L419 VanDerWaalsContact CE1-CB 3.44Å; F149-L419 HydrophobicContact CE2-CB 4.15Å; F149-L419 HydrophobicContact CE2-CD1 4.11Å; F149-L419 HydrophobicContact CG-CB 4.13Å; F149-L419 HydrophobicContact CZ-CB 3.68Å; F149-L419 HydrophobicContact CZ-CD1 3.98Å; F149-Y421 HydrophobicContact CD1-CD1 4.12Å; F149-Y421 AromaticContact CD1-CE1 3.62Å; F149-Y421 HydrophobicContact CD1-CE1 3.62Å; F149-Y421 AromaticContact CE1-CD1 3.94Å; F149-Y421 HydrophobicContact CE1-CD1 3.94Å; F149-Y421 AromaticContact CE1-CE1 3.65Å; F149-Y421 HydrophobicContact CE1-CE1 3.65Å; F149-Y421 HydrophobicContact CG-CE1 4.49Å
150	Y	98.8	Very high	98.2	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.051	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	178.7	-156.1	-93.5	0	0	0	112.6	P142 I145 A409 I410 K412 Y418	P142-Y150 VanDerWaalsContact O-CE2 3.26Å; P142-Y150 WeakPolarHBondContact O-CE2 3.49Å; P142-Y150 PolarHBondContact O-OH 3.48Å; I145-Y150 HydrophobicContact CD1-CD2 3.52Å; I145-Y150 HydrophobicContact CD1-CE2 3.78Å; I145-Y150 HydrophobicContact CD1-CG 4.35Å; I145-Y150 HydrophobicContact CG1-CD2 3.92Å; I145-Y150 HydrophobicContact CG1-CE2 4.04Å; I145-Y150 HydrophobicContact CG2-CE2 4.14Å; Y150-A409 VanDerWaalsContact O-CA 3.25Å; Y150-A409 WeakPolarHBondContact O-CA 3.42Å; Y150-A409 WeakPolarHBondContact O-CB 3.5Å; Y150-I410 HydrophobicContact CD1-CD1 4.44Å; Y150-I410 HydrophobicContact CD1-CG1 4.31Å; Y150-I410 PolarHBondContact O-N 3.35Å; Y150-K412 HydrophobicContact CD1-CB 4.34Å; Y150-K412 HydrophobicContact CD1-CD 3.43Å; Y150-K412 VanDerWaalsContact CD1-CD 3.43Å; Y150-K412 HydrophobicContact CD2-CD 3.45Å; Y150-K412 VanDerWaalsContact CD2-CD 3.45Å; Y150-K412 HydrophobicContact CE1-CD 3.44Å; Y150-K412 VanDerWaalsContact CE1-CD 3.44Å; Y150-K412 HydrophobicContact CE2-CD 3.47Å; Y150-K412 VanDerWaalsContact CE2-CD 3.47Å; Y150-K412 HydrophobicContact CG-CB 4.09Å; Y150-K412 HydrophobicContact CG-CD 3.41Å; Y150-K412 VanDerWaalsContact CG-CD 3.41Å; Y150-K412 HydrophobicContact CG-CG 4.38Å; Y150-K412 VanDerWaalsContact CZ-CD 3.45Å; Y150-K412 VanDerWaalsContact CZ-CE 3.46Å; Y150-Y418 HydrophobicContact CD2-CD1 4.25Å; Y150-Y418 HydrophobicContact CD2-CD2 4.34Å; Y150-Y418 AromaticContact CD2-CE1 3.94Å; Y150-Y418 HydrophobicContact CD2-CE1 3.94Å; Y150-Y418 HydrophobicContact CD2-CE2 4.02Å; Y150-Y418 HydrophobicContact CD2-CG 4.44Å; Y150-Y418 AromaticContact CD2-CZ 3.8Å
151	P	98.8	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.6	179.9	-15.1	24.6	0	0	0	113.1	W118 I145 L153 G154 Y156 W400	W118-P151 HydrophobicContact CH2-CG 3.47Å; W118-P151 VanDerWaalsContact CH2-CG 3.47Å; W118-P151 HydrophobicContact CZ2-CG 4.24Å; W118-P151 HydrophobicContact CZ3-CG 3.9Å; I145-P151 HydrophobicContact CD1-CG 4.47Å; P151-L153 PolarHBondContact O-N 2.81Å; P151-G154 WeakPolarHBondContact CB-O 3.43Å; P151-G154 WeakPolarHBondContact CG-O 3.39Å; P151-G154 PolarHBondContact O-N 3.12Å; P151-Y156 HydrophobicContact CB-CD1 4.26Å; P151-Y156 HydrophobicContact CB-CE1 4.12Å; P151-Y156 HydrophobicContact CG-CE1 4.34Å; P151-W400 HydrophobicContact CB-CD2 4.49Å; P151-W400 HydrophobicContact CB-CH2 3.81Å; P151-W400 HydrophobicContact CB-CZ2 3.51Å; P151-W400 HydrophobicContact CB-CZ3 4.36Å; P151-W400 HydrophobicContact CG-CD2 3.78Å; P151-W400 HydrophobicContact CG-CE3 3.99Å; P151-W400 HydrophobicContact CG-CG 4.41Å; P151-W400 HydrophobicContact CG-CH2 4Å; P151-W400 HydrophobicContact CG-CZ2 3.74Å; P151-W400 HydrophobicContact CG-CZ3 4.08Å
152	A	98.8	Very high	98.2	Very high	38 Å²	38	27.6 Å²	27.6	31%	0.314	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.8	171.1	0	0	0	0	0	112.3	G154 M408 I410	A152-G154 VanDerWaalsContact C-N 3.29Å; A152-M408 HydrophobicContact CB-CB 3.83Å; A152-M408 VanDerWaalsContact CB-O 3.26Å; A152-M408 WeakPolarHBondContact CB-O 3.43Å; A152-M408 PolarHBondContact N-O 2.98Å; A152-I410 HydrophobicContact CB-CG2 3.79Å
153	L	98.7	Very high	98.3	Very high	66 Å²	66	25.1 Å²	25.1	35%	0.346	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2	175.3	-64	175.2	0	0	0	113.1	P151 Y156 V163 A166	P151-L153 PolarHBondContact O-N 2.81Å; L153-Y156 HydrophobicContact CB-CD1 3.79Å; L153-Y156 HydrophobicContact CB-CG 4.44Å; L153-V163 HydrophobicContact CD1-CG1 4.23Å; L153-A166 HydrophobicContact CD1-CB 3.97Å; L153-A166 HydrophobicContact CD2-CB 4.21Å
154	G	98.4	Very high	98.4	Very high	17 Å²	17	21.2 Å²	21.2	18%	0.175	13%	0.128	C	C	.	.			trans	69.6	-164.7	-175.5	0	0	0	0	0	113.6	P151 A152 Y156	P151-G154 WeakPolarHBondContact CB-O 3.43Å; P151-G154 WeakPolarHBondContact CG-O 3.39Å; P151-G154 PolarHBondContact O-N 3.12Å; A152-G154 VanDerWaalsContact C-N 3.29Å; G154-Y156 VanDerWaalsContact O-CD1 3.26Å; G154-Y156 WeakPolarHBondContact O-CD1 3.47Å; G154-Y156 PolarHBondContact O-N 3.22Å
155	A	98.4	Very high	98.4	Very high	12 Å²	12	22.7 Å²	22.7	10%	0.099	13%	0.134	C	C	.	.	S	Bend	trans	-72.5	72.8	172.5	0	0	0	0	0	110.3	N108 Y115 W118 P141 P142 I145	N108-A155 WeakPolarHBondContact CB-O 3.32Å; Y115-A155 HydrophobicContact CD1-CB 4.41Å; Y115-A155 HydrophobicContact CE1-CB 3.85Å; W118-A155 HydrophobicContact CB-CB 4.4Å; W118-A155 HydrophobicContact CD2-CB 4.17Å; W118-A155 HydrophobicContact CG-CB 3.87Å; W118-A155 VanDerWaalsContact NE1-C 3.29Å; P141-A155 HydrophobicContact CB-CB 4.45Å; P142-A155 HydrophobicContact CB-CB 4.45Å; I145-A155 HydrophobicContact CG2-CB 4.22Å
156	Y	98.9	Very high	98.4	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.024	14%	0.142	C	C	.	.			trans	-75.2	167.1	-171	61.4	-110	0	0	0	113.2	Y106 W118 P151 L153 G154 V163 H167 N398 W400 E407	Y106-Y156 AromaticContact CD2-CE2 3.61Å; Y106-Y156 HydrophobicContact CD2-CE2 3.61Å; Y106-Y156 AromaticContact CD2-CZ 3.82Å; Y106-Y156 VanDerWaalsContact CD2-OH 3.26Å; Y106-Y156 WeakPolarHBondContact CD2-OH 3.39Å; Y106-Y156 WeakPolarHBondContact CE2-OH 3.37Å; Y106-Y156 AromaticContact CG-CE2 3.8Å; Y106-Y156 HydrophobicContact CG-CE2 3.8Å; W118-Y156 HydrophobicContact CH2-CD1 4.4Å; W118-Y156 AromaticContact CH2-CE1 3.92Å; W118-Y156 HydrophobicContact CH2-CE1 3.92Å; W118-Y156 AromaticContact CZ2-CD1 3.79Å; W118-Y156 HydrophobicContact CZ2-CD1 3.79Å; W118-Y156 HydrophobicContact CZ2-CD2 4.1Å; W118-Y156 AromaticContact CZ2-CE1 3.63Å; W118-Y156 HydrophobicContact CZ2-CE1 3.63Å; W118-Y156 AromaticContact CZ2-CE2 3.9Å; W118-Y156 HydrophobicContact CZ2-CE2 3.9Å; W118-Y156 HydrophobicContact CZ2-CG 4.02Å; W118-Y156 AromaticContact CZ2-CZ 3.66Å; W118-Y156 PolarHBondContact NE1-O 2.78Å; P151-Y156 HydrophobicContact CB-CD1 4.26Å; P151-Y156 HydrophobicContact CB-CE1 4.12Å; P151-Y156 HydrophobicContact CG-CE1 4.34Å; L153-Y156 HydrophobicContact CB-CD1 3.79Å; L153-Y156 HydrophobicContact CB-CG 4.44Å; G154-Y156 VanDerWaalsContact O-CD1 3.26Å; G154-Y156 WeakPolarHBondContact O-CD1 3.47Å; G154-Y156 PolarHBondContact O-N 3.22Å; Y156-V163 HydrophobicContact CD2-CG1 3.68Å; Y156-V163 HydrophobicContact CE2-CG1 4.22Å; Y156-V163 HydrophobicContact CG-CG1 3.91Å; Y156-V163 HydrophobicContact CG-CG2 4.46Å; Y156-H167 AromaticContact CE2-CE1 3.98Å; Y156-H167 AromaticContact CZ-CE1 3.92Å; Y156-N398 PolarHBondContact OH-ND2 3.19Å; Y156-N398 VanDerWaalsContact OH-ND2 3.15Å; Y156-W400 AromaticContact CE1-NE1 3.95Å; Y156-W400 PolarHBondContact OH-NE1 2.79Å; Y156-E407 WeakPolarHBondContact CE1-OE1 3.42Å; Y156-E407 PolarHBondContact OH-OE2 2.83Å
157	S	98.8	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.			trans	-100	133.5	165.5	176.9	0	0	0	0	110.1	N108 F111 D112 R159 D160	N108-S157 PolarHBondContact ND2-N 3.37Å; F111-S157 WeakPolarHBondContact CB-OG 3.49Å; D112-S157 WeakPolarHBondContact OD2-CB 3.47Å; D112-S157 PolarHBondContact OD2-OG 2.84Å; S157-R159 PolarHBondContact O-N 3.16Å; S157-R159 WeakPolarHBondContact OG-CB 3.43Å; S157-R159 PolarHBondContact OG-N 2.91Å; S157-D160 WeakPolarHBondContact O-CB 3.49Å; S157-D160 PolarHBondContact O-N 2.82Å
158	S	98.6	Very high	98.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.3	169.4	-70.4	0	0	0	0	112.6	T104 Y106 I164	T104-S158 VanDerWaalsContact C-CB 3.43Å; T104-S158 VanDerWaalsContact C-OG 3.26Å; T104-S158 WeakPolarHBondContact O-CB 3.36Å; T104-S158 PolarHBondContact O-OG 3.09Å; Y106-S158 PolarHBondContact N-OG 2.89Å; Y106-S158 WeakPolarHBondContact O-CB 3.43Å; Y106-S158 PolarHBondContact O-N 2.79Å; S158-I164 WeakPolarHBondContact O-CD1 3.44Å
159	R	97.9	Very high	98.5	Very high	57 Å²	57	25.8 Å²	25.8	22%	0.215	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.3	173.8	-68.6	-173.4	172.5	72	7.8	113.7	D112 S157 P161 P195 D198 I199	D112-R159 WeakPolarHBondContact OD1-CD 3.14Å; D112-R159 IonicContact OD1-CZ 2.7Å; D112-R159 IonicContact OD1-NH1 3.95Å; D112-R159 PolarHBondContact OD1-NH1 2.8Å; D112-R159 VanDerWaalsContact OD1-NH1 3.09Å; S157-R159 PolarHBondContact O-N 3.16Å; S157-R159 WeakPolarHBondContact OG-CB 3.43Å; S157-R159 PolarHBondContact OG-N 2.91Å; R159-P161 VanDerWaalsContact O-CD 3.27Å; R159-P161 WeakPolarHBondContact O-CD 3.29Å; R159-P195 PolarHBondContact NH2-O 2.94Å; R159-D198 IonicContact CZ-OD1 3.06Å; R159-D198 IonicContact CZ-OD2 3.51Å; R159-D198 IonicContact NE-OD2 2.88Å; R159-D198 PolarHBondContact NE-OD2 3.02Å; R159-D198 VanDerWaalsContact NE-OD2 3.11Å; R159-D198 IonicContact NH2-OD1 3.46Å; R159-D198 PolarHBondContact NH2-OD1 2.59Å; R159-D198 IonicContact NH2-OD2 3.86Å; R159-D198 PolarHBondContact NH2-OD2 3.3Å; R159-I199 HydrophobicContact CG-CD1 3.41Å; R159-I199 VanDerWaalsContact CG-CD1 3.41Å; R159-I199 HydrophobicContact CG-CG1 3.78Å
160	D	98.4	Very high	98.5	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.139	15%	0.149	C	C	.	.			trans	-75.2	115.9	175.1	-176.9	-16.2	0	0	0	110.1	F111 S157 S162 V163 I164	F111-D160 HydrophobicContact CD1-CB 4.1Å; F111-D160 HydrophobicContact CD2-CB 4.05Å; F111-D160 HydrophobicContact CE1-CB 3.79Å; F111-D160 HydrophobicContact CE2-CB 3.73Å; F111-D160 VanDerWaalsContact CE2-OD2 3.27Å; F111-D160 WeakPolarHBondContact CE2-OD2 3.37Å; F111-D160 HydrophobicContact CG-CB 4.23Å; F111-D160 HydrophobicContact CZ-CB 3.59Å; F111-D160 VanDerWaalsContact CZ-OD2 3.3Å; F111-D160 WeakPolarHBondContact CZ-OD2 3.28Å; S157-D160 WeakPolarHBondContact O-CB 3.49Å; S157-D160 PolarHBondContact O-N 2.82Å; D160-S162 PolarHBondContact O-N 3.07Å; D160-S162 VanDerWaalsContact O-N 3.17Å; D160-S162 WeakPolarHBondContact OD1-CB 3.48Å; D160-S162 PolarHBondContact OD1-N 2.78Å; D160-S162 PolarHBondContact OD1-OG 2.71Å; D160-S162 PolarHBondContact OD2-OG 2.98Å; D160-S162 VanDerWaalsContact OD2-OG 3.13Å; D160-V163 HydrophobicContact CB-CB 4.04Å; D160-V163 HydrophobicContact CB-CG2 3.71Å; D160-V163 WeakPolarHBondContact O-CB 3.32Å; D160-V163 PolarHBondContact O-N 3.07Å; D160-V163 VanDerWaalsContact O-N 3.07Å; D160-I164 PolarHBondContact O-N 3.04Å
161	P	97.6	Very high	98.4	Very high	62 Å²	62	25.1 Å²	25.1	40%	0.403	15%	0.147	S	C	.	.	H	α-helix	trans	-58.3	-30.5	179.5	-22.8	33.6	0	0	0	113.5	R159 V163 I164 E165 L202	R159-P161 VanDerWaalsContact O-CD 3.27Å; R159-P161 WeakPolarHBondContact O-CD 3.29Å; P161-V163 VanDerWaalsContact C-N 3.33Å; P161-I164 PolarHBondContact O-N 2.73Å; P161-E165 WeakPolarHBondContact O-CB 3.31Å; P161-E165 PolarHBondContact O-N 2.95Å; P161-L202 HydrophobicContact CB-CD2 4.42Å; P161-L202 HydrophobicContact CG-CD2 4.09Å
162	S	97.9	Very high	98.4	Very high	69 Å²	69	25.7 Å²	25.7	48%	0.483	15%	0.149	S	C	.	.	H	α-helix	trans	-70.8	-31.2	179.3	75.4	0	0	0	0	112.3	D160 A166	D160-S162 PolarHBondContact O-N 3.07Å; D160-S162 VanDerWaalsContact O-N 3.17Å; D160-S162 WeakPolarHBondContact OD1-CB 3.48Å; D160-S162 PolarHBondContact OD1-N 2.78Å; D160-S162 PolarHBondContact OD1-OG 2.71Å; D160-S162 PolarHBondContact OD2-OG 2.98Å; D160-S162 VanDerWaalsContact OD2-OG 3.13Å; S162-A166 WeakPolarHBondContact O-CB 3.03Å; S162-A166 PolarHBondContact O-N 3.28Å
163	V	98.8	Very high	98.4	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-47.1	173.8	170.6	0	0	0	0	110.1	L153 Y156 D160 P161 E165 A166 H167	L153-V163 HydrophobicContact CD1-CG1 4.23Å; Y156-V163 HydrophobicContact CD2-CG1 3.68Å; Y156-V163 HydrophobicContact CE2-CG1 4.22Å; Y156-V163 HydrophobicContact CG-CG1 3.91Å; Y156-V163 HydrophobicContact CG-CG2 4.46Å; D160-V163 HydrophobicContact CB-CB 4.04Å; D160-V163 HydrophobicContact CB-CG2 3.71Å; D160-V163 WeakPolarHBondContact O-CB 3.32Å; D160-V163 PolarHBondContact O-N 3.07Å; D160-V163 VanDerWaalsContact O-N 3.07Å; P161-V163 VanDerWaalsContact C-N 3.33Å; V163-E165 VanDerWaalsContact C-N 3.29Å; V163-E165 PolarHBondContact O-N 3.23Å; V163-A166 WeakPolarHBondContact O-CB 3.14Å; V163-A166 PolarHBondContact O-N 3.33Å; V163-A166 VanDerWaalsContact O-N 3.15Å; V163-H167 WeakPolarHBondContact CG1-CE1 3.44Å; V163-H167 WeakPolarHBondContact CG1-NE2 3.22Å; V163-H167 PolarHBondContact O-CD2 2.73Å; V163-H167 PolarHBondContact O-N 3.27Å
164	I	98.6	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.1	-58.1	171.8	0	0	0	110.2	S158 D160 P161 H167 M168 I199 L202 I203 V206	S158-I164 WeakPolarHBondContact O-CD1 3.44Å; D160-I164 PolarHBondContact O-N 3.04Å; P161-I164 PolarHBondContact O-N 2.73Å; I164-H167 WeakPolarHBondContact O-CB 3.27Å; I164-H167 PolarHBondContact O-N 3.12Å; I164-M168 HydrophobicContact CG2-CE 4Å; I164-M168 WeakPolarHBondContact O-CG 3.34Å; I164-M168 PolarHBondContact O-N 2.89Å; I164-I199 HydrophobicContact CD1-CG2 4.23Å; I164-L202 HydrophobicContact CD1-CB 4.49Å; I164-L202 HydrophobicContact CD1-CD2 3.53Å; I164-L202 HydrophobicContact CD1-CG 3.7Å; I164-I203 HydrophobicContact CD1-CG1 4.17Å; I164-I203 HydrophobicContact CG2-CG1 4.49Å; I164-V206 HydrophobicContact CG2-CB 3.8Å; I164-V206 HydrophobicContact CG2-CG1 3.96Å; I164-V206 HydrophobicContact CG2-CG2 4.06Å
165	E	97.9	Very high	98.3	Very high	61 Å²	61	20.7 Å²	20.7	29%	0.285	12%	0.116	S	C	.	.	H	α-helix	trans	-62.2	-44	175.5	-170.2	-176.1	161.4	0	0	112.1	P161 V163 H167 M168 K169 V206 Y210	P161-E165 WeakPolarHBondContact O-CB 3.31Å; P161-E165 PolarHBondContact O-N 2.95Å; V163-E165 VanDerWaalsContact C-N 3.29Å; V163-E165 PolarHBondContact O-N 3.23Å; E165-H167 VanDerWaalsContact C-N 3.29Å; E165-H167 PolarHBondContact O-N 3.4Å; E165-M168 PolarHBondContact O-N 3.17Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 2.85Å; E165-K169 VanDerWaalsContact OE1-CE 3.25Å; E165-K169 WeakPolarHBondContact OE1-CE 3.38Å; E165-K169 IonicContact OE1-NZ 3.35Å; E165-K169 PolarHBondContact OE1-NZ 3.47Å; E165-V206 HydrophobicContact CB-CG1 4.26Å; E165-Y210 HydrophobicContact CG-CE2 3.76Å; E165-Y210 WeakPolarHBondContact CG-OH 3.22Å; E165-Y210 PolarHBondContact OE1-OH 3.13Å
166	A	98.4	Very high	98.4	Very high	23 Å²	23	20.1 Å²	20.1	19%	0.19	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-38.5	174.8	0	0	0	0	0	111.8	L153 S162 V163 K169 Q170	L153-A166 HydrophobicContact CD1-CB 3.97Å; L153-A166 HydrophobicContact CD2-CB 4.21Å; S162-A166 WeakPolarHBondContact O-CB 3.03Å; S162-A166 PolarHBondContact O-N 3.28Å; V163-A166 WeakPolarHBondContact O-CB 3.14Å; V163-A166 PolarHBondContact O-N 3.33Å; V163-A166 VanDerWaalsContact O-N 3.15Å; A166-K169 PolarHBondContact O-N 2.9Å; A166-Q170 WeakPolarHBondContact O-CG 3.37Å; A166-Q170 PolarHBondContact O-N 3.31Å
167	H	98.8	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-46	174.8	-64.9	173.7	0	0	0	111.6	Y102 Y156 V163 I164 E165 K169 Q170 L171 F397 E407	Y102-H167 HydrophobicContact CE2-CB 4.18Å; Y102-H167 AromaticContact CE2-ND1 3.41Å; Y102-H167 WeakPolarHBondContact CE2-ND1 3.33Å; Y102-H167 AromaticContact CZ-ND1 3.55Å; Y102-H167 PolarHBondContact OH-ND1 3.37Å; Y156-H167 AromaticContact CE2-CE1 3.98Å; Y156-H167 AromaticContact CZ-CE1 3.92Å; V163-H167 WeakPolarHBondContact CG1-CE1 3.44Å; V163-H167 WeakPolarHBondContact CG1-NE2 3.22Å; V163-H167 PolarHBondContact O-CD2 2.73Å; V163-H167 PolarHBondContact O-N 3.27Å; I164-H167 WeakPolarHBondContact O-CB 3.27Å; I164-H167 PolarHBondContact O-N 3.12Å; E165-H167 VanDerWaalsContact C-N 3.29Å; E165-H167 PolarHBondContact O-N 3.4Å; H167-K169 VanDerWaalsContact C-N 3.31Å; H167-K169 PolarHBondContact O-N 3.22Å; H167-Q170 WeakPolarHBondContact O-CB 3.29Å; H167-Q170 PolarHBondContact O-N 3.16Å; H167-L171 WeakPolarHBondContact O-CD1 2.91Å; H167-L171 VanDerWaalsContact O-CG 3.31Å; H167-L171 WeakPolarHBondContact O-CG 3.25Å; H167-L171 PolarHBondContact O-N 3.27Å; H167-F397 HydrophobicContact CB-CE1 3.74Å; H167-F397 HydrophobicContact CB-CZ 3.72Å; H167-F397 AromaticContact CD2-CE1 3.62Å; H167-F397 AromaticContact CD2-CZ 3.79Å; H167-F397 AromaticContact CG-CE1 3.46Å; H167-F397 VanDerWaalsContact CG-CE1 3.46Å; H167-F397 AromaticContact CG-CZ 3.78Å; H167-F397 AromaticContact ND1-CE1 3.8Å; H167-E407 IonicContact NE2-OE1 3.88Å; H167-E407 IonicContact NE2-OE2 3.61Å
168	M	98.4	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.9	-38.8	176.3	-63.6	-51.1	163.7	0	0	112.5	I164 E165 Q170 L171 R172 L179 I203 V206 A207 Y210 V212	I164-M168 HydrophobicContact CG2-CE 4Å; I164-M168 WeakPolarHBondContact O-CG 3.34Å; I164-M168 PolarHBondContact O-N 2.89Å; E165-M168 PolarHBondContact O-N 3.17Å; M168-Q170 PolarHBondContact O-N 3.28Å; M168-L171 PolarHBondContact O-N 3.33Å; M168-L171 HydrophobicContact SD-CD1 3.7Å; M168-R172 WeakPolarHBondContact O-CB 3.41Å; M168-R172 VanDerWaalsContact O-CG 3.29Å; M168-R172 WeakPolarHBondContact O-CG 3.42Å; M168-R172 PolarHBondContact O-N 2.81Å; M168-L179 HydrophobicContact CE-CD2 4.2Å; M168-I203 HydrophobicContact CE-CG2 4.02Å; M168-V206 HydrophobicContact CB-CG1 4.4Å; M168-V206 HydrophobicContact CG-CB 4.46Å; M168-V206 HydrophobicContact CG-CG1 3.75Å; M168-A207 HydrophobicContact CE-CB 3.79Å; M168-A207 HydrophobicContact SD-CB 4.04Å; M168-Y210 HydrophobicContact CB-CD1 4.17Å; M168-Y210 HydrophobicContact CB-CD2 3.64Å; M168-Y210 HydrophobicContact CB-CE2 4.33Å; M168-Y210 HydrophobicContact CB-CG 3.56Å; M168-Y210 HydrophobicContact CG-CD2 4.28Å; M168-Y210 HydrophobicContact CG-CG 4.48Å; M168-V212 HydrophobicContact SD-CB 4.16Å; M168-V212 HydrophobicContact SD-CG1 4.23Å; M168-V212 HydrophobicContact SD-CG2 4.32Å
169	K	97.9	Very high	98.3	Very high	75 Å²	75	19.8 Å²	19.8	33%	0.326	11%	0.11	S	C	.	.	H	α-helix	trans	-60.7	-43.1	171.4	-71.2	172.8	-172.3	165.3	0	111.9	F91 E165 A166 H167 R172 A173 Y210	F91-K169 HydrophobicContact CE1-CB 4.32Å; F91-K169 WeakPolarHBondContact CE1-O 3.47Å; F91-K169 HydrophobicContact CE2-CB 4.44Å; F91-K169 HydrophobicContact CE2-CG 4.14Å; F91-K169 HydrophobicContact CZ-CB 3.77Å; F91-K169 HydrophobicContact CZ-CG 3.85Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 2.85Å; E165-K169 VanDerWaalsContact OE1-CE 3.25Å; E165-K169 WeakPolarHBondContact OE1-CE 3.38Å; E165-K169 IonicContact OE1-NZ 3.35Å; E165-K169 PolarHBondContact OE1-NZ 3.47Å; A166-K169 PolarHBondContact O-N 2.9Å; H167-K169 VanDerWaalsContact C-N 3.31Å; H167-K169 PolarHBondContact O-N 3.22Å; K169-R172 PolarHBondContact O-N 2.79Å; K169-A173 WeakPolarHBondContact O-CB 3.29Å; K169-A173 PolarHBondContact O-N 3.37Å; K169-Y210 WeakPolarHBondContact CE-OH 3.4Å; K169-Y210 HydrophobicContact CG-CD1 4.4Å; K169-Y210 HydrophobicContact CG-CE1 3.57Å
170	Q	98.7	Very high	98.4	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.033	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-42.7	177.6	-74.4	-173.4	55.5	0	0	112.5	A166 H167 M168 R172 A173 G174 F397 M408 L430	A166-Q170 WeakPolarHBondContact O-CG 3.37Å; A166-Q170 PolarHBondContact O-N 3.31Å; H167-Q170 WeakPolarHBondContact O-CB 3.29Å; H167-Q170 PolarHBondContact O-N 3.16Å; M168-Q170 PolarHBondContact O-N 3.28Å; Q170-R172 VanDerWaalsContact C-N 3.34Å; Q170-R172 PolarHBondContact O-N 2.75Å; Q170-A173 CarbonylContact O-C 3.55Å; Q170-A173 WeakPolarHBondContact O-CA 3.47Å; Q170-A173 WeakPolarHBondContact O-CB 3.4Å; Q170-A173 PolarHBondContact O-N 2.97Å; Q170-A173 VanDerWaalsContact O-N 3.11Å; Q170-G174 PolarHBondContact O-N 3.2Å; Q170-F397 HydrophobicContact CB-CE2 3.92Å; Q170-F397 HydrophobicContact CB-CZ 4.09Å; Q170-M408 HydrophobicContact CG-CE 3.84Å; Q170-L430 HydrophobicContact CB-CD1 3.62Å; Q170-L430 HydrophobicContact CB-CD2 4.41Å; Q170-L430 HydrophobicContact CG-CD1 3.75Å
171	L	98.5	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.6	-43.9	175.6	-68.9	153.6	0	0	0	111.4	A100 H167 M168 A173 G174 A175 I176 L179 F397	A100-L171 HydrophobicContact CB-CD2 4.32Å; H167-L171 WeakPolarHBondContact O-CD1 2.91Å; H167-L171 VanDerWaalsContact O-CG 3.31Å; H167-L171 WeakPolarHBondContact O-CG 3.25Å; H167-L171 PolarHBondContact O-N 3.27Å; M168-L171 PolarHBondContact O-N 3.33Å; M168-L171 HydrophobicContact SD-CD1 3.7Å; L171-A173 VanDerWaalsContact C-N 3.32Å; L171-A173 PolarHBondContact O-N 3.01Å; L171-G174 CarbonylContact O-C 3.47Å; L171-G174 WeakPolarHBondContact O-CA 3.38Å; L171-G174 PolarHBondContact O-N 3.02Å; L171-A175 PolarHBondContact O-N 2.76Å; L171-A175 VanDerWaalsContact O-N 3.14Å; L171-I176 HydrophobicContact CB-CB 4.35Å; L171-I176 HydrophobicContact CD2-CB 4.04Å; L171-I176 HydrophobicContact CD2-CD1 3.86Å; L171-I176 HydrophobicContact CD2-CG2 3.84Å; L171-I176 PolarHBondContact O-N 2.85Å; L171-L179 HydrophobicContact CD1-CD1 3.16Å; L171-L179 HydrophobicContact CD2-CD1 3.59Å; L171-L179 HydrophobicContact CG-CD1 4Å; L171-F397 HydrophobicContact CD2-CD2 3.6Å; L171-F397 HydrophobicContact CD2-CE2 4.03Å; L171-F397 HydrophobicContact CD2-CG 4.24Å; L171-F397 HydrophobicContact CG-CD2 3.97Å; L171-F397 HydrophobicContact CG-CE2 3.86Å
172	R	97.9	Very high	98.5	Very high	11 Å²	11	13.1 Å²	13.1	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-39.3	172.5	-73.5	-57.2	-58.5	-114.2	-3.7	111.8	F91 P92 M168 K169 Q170 G174 A175 Y210 V212	F91-R172 HydrophobicContact CB-CB 3.73Å; F91-R172 HydrophobicContact CD1-CB 4.01Å; F91-R172 HydrophobicContact CD2-CB 4.14Å; F91-R172 HydrophobicContact CG-CB 3.69Å; P92-R172 WeakPolarHBondContact CD-O 3.27Å; P92-R172 WeakPolarHBondContact CG-O 3.3Å; P92-R172 PolarHBondContact O-NE 2.72Å; P92-R172 PolarHBondContact O-NH2 3.15Å; M168-R172 WeakPolarHBondContact O-CB 3.41Å; M168-R172 VanDerWaalsContact O-CG 3.29Å; M168-R172 WeakPolarHBondContact O-CG 3.42Å; M168-R172 PolarHBondContact O-N 2.81Å; K169-R172 PolarHBondContact O-N 2.79Å; Q170-R172 VanDerWaalsContact C-N 3.34Å; Q170-R172 PolarHBondContact O-N 2.75Å; R172-G174 PolarHBondContact O-N 3.19Å; R172-A175 PolarHBondContact O-N 3.13Å; R172-Y210 VanDerWaalsContact CD-O 3.22Å; R172-Y210 WeakPolarHBondContact CD-O 3.42Å; R172-Y210 HydrophobicContact CG-CD1 4.27Å; R172-Y210 PolarHBondContact NH1-O 2.94Å; R172-V212 HydrophobicContact CG-CG2 4.13Å
173	A	98	Very high	98.5	Very high	10 Å²	10	9.9 Å²	9.9	8%	0.083	5%	0.052	C	C	.	.	H	α-helix	trans	-61.8	-31.3	170.3	0	0	0	0	0	112.3	F91 K169 Q170 L171 A175 R434	F91-A173 HydrophobicContact CD1-CB 4.16Å; F91-A173 HydrophobicContact CE1-CB 4.25Å; K169-A173 WeakPolarHBondContact O-CB 3.29Å; K169-A173 PolarHBondContact O-N 3.37Å; Q170-A173 CarbonylContact O-C 3.55Å; Q170-A173 WeakPolarHBondContact O-CA 3.47Å; Q170-A173 WeakPolarHBondContact O-CB 3.4Å; Q170-A173 PolarHBondContact O-N 2.97Å; Q170-A173 VanDerWaalsContact O-N 3.11Å; L171-A173 VanDerWaalsContact C-N 3.32Å; L171-A173 PolarHBondContact O-N 3.01Å; A173-A175 VanDerWaalsContact C-N 3.3Å; A173-A175 PolarHBondContact O-N 3.37Å; A173-R434 PolarHBondContact O-NE 3.4Å; A173-R434 PolarHBondContact O-NH2 3.41Å
174	G	98.4	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.3	172.8	0	0	0	0	0	115.4	Q170 L171 R172 I176 L430 T433 R434	Q170-G174 PolarHBondContact O-N 3.2Å; L171-G174 CarbonylContact O-C 3.47Å; L171-G174 WeakPolarHBondContact O-CA 3.38Å; L171-G174 PolarHBondContact O-N 3.02Å; R172-G174 PolarHBondContact O-N 3.19Å; G174-I176 PolarHBondContact O-N 2.94Å; G174-L430 WeakPolarHBondContact CA-O 3.36Å; G174-T433 CarbonylContact O-C 2.92Å; G174-T433 WeakPolarHBondContact O-CG2 3.44Å; G174-R434 WeakPolarHBondContact O-CA 3.47Å; G174-R434 PolarHBondContact O-N 2.92Å
175	A	98.4	Very high	98.5	Very high	7 Å²	7	11 Å²	11	6%	0.058	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	26.4	-165.6	0	0	0	0	0	113.5	P92 N95 L171 R172 A173 R434 A437	P92-A175 HydrophobicContact CB-CB 4.13Å; P92-A175 HydrophobicContact CG-CB 3.8Å; N95-A175 WeakPolarHBondContact CB-O 3.45Å; N95-A175 PolarHBondContact N-O 3.29Å; L171-A175 PolarHBondContact O-N 2.76Å; L171-A175 VanDerWaalsContact O-N 3.14Å; R172-A175 PolarHBondContact O-N 3.13Å; A173-A175 VanDerWaalsContact C-N 3.3Å; A173-A175 PolarHBondContact O-N 3.37Å; A175-R434 HydrophobicContact CB-CG 4.29Å; A175-A437 HydrophobicContact CB-CB 4.07Å
176	I	98.8	Very high	98.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.1	178	-61.1	162.9	0	0	0	107.9	I98 A100 L171 G174 I394 I406 T433	I98-I176 HydrophobicContact CG2-CG1 4.03Å; A100-I176 HydrophobicContact CB-CD1 4.25Å; A100-I176 HydrophobicContact CB-CG2 3.94Å; L171-I176 HydrophobicContact CB-CB 4.35Å; L171-I176 HydrophobicContact CD2-CB 4.04Å; L171-I176 HydrophobicContact CD2-CD1 3.86Å; L171-I176 HydrophobicContact CD2-CG2 3.84Å; L171-I176 PolarHBondContact O-N 2.85Å; G174-I176 PolarHBondContact O-N 2.94Å; I176-I394 HydrophobicContact CD1-CD1 4Å; I176-I394 HydrophobicContact CG1-CD1 4.08Å; I176-I406 HydrophobicContact CD1-CD1 3.54Å; I176-T433 HydrophobicContact CD1-CG2 4Å; I176-T433 HydrophobicContact CG1-CG2 3.75Å
177	G	98.7	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-19.5	-177.3	0	0	0	0	0	115	N95 Y96 I98 K213	N95-G177 WeakPolarHBondContact O-CA 3.42Å; N95-G177 PolarHBondContact O-N 3.43Å; Y96-G177 WeakPolarHBondContact CD1-O 3.44Å; I98-G177 PolarHBondContact O-N 2.95Å; G177-K213 PolarHBondContact O-N 2.91Å
178	V	98.9	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.4	-175.6	-170.1	0	0	0	0	111.1	Y96 I98 H99 A100 K213 A215 Y247	Y96-V178 HydrophobicContact CD1-CG2 4.37Å; I98-V178 PolarHBondContact O-N 3.43Å; H99-V178 CarbonylContact C-O 3.45Å; H99-V178 VanDerWaalsContact CA-O 3.29Å; H99-V178 WeakPolarHBondContact CA-O 3.4Å; H99-V178 HydrophobicContact CB-CB 4.29Å; H99-V178 WeakPolarHBondContact CD2-CB 3.18Å; H99-V178 VanDerWaalsContact CD2-CG2 3.44Å; H99-V178 WeakPolarHBondContact CD2-CG2 3.11Å; H99-V178 WeakPolarHBondContact NE2-CG2 3.34Å; A100-V178 PolarHBondContact N-O 3.5Å; V178-K213 CarbonylContact C-O 3.58Å; V178-K213 WeakPolarHBondContact CA-O 3.42Å; V178-K213 HydrophobicContact CG2-CB 4.35Å; V178-A215 HydrophobicContact CG1-CB 3.83Å; V178-Y247 HydrophobicContact CB-CD2 4.46Å; V178-Y247 HydrophobicContact CG1-CD1 4.22Å; V178-Y247 HydrophobicContact CG1-CD2 4Å; V178-Y247 HydrophobicContact CG1-CE2 4.37Å; V178-Y247 HydrophobicContact CG1-CG 3.89Å; V178-Y247 HydrophobicContact CG2-CD2 3.59Å; V178-Y247 HydrophobicContact CG2-CE2 3.36Å; V178-Y247 HydrophobicContact CG2-CG 4.32Å
179	L	97.9	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.5	168.4	-146.3	83.2	0	0	0	108.8	Y102 M168 L171 V181 I203 V212 K213 V214 A215	Y102-L179 VanDerWaalsContact CB-CG 3.47Å; Y102-L179 HydrophobicContact CD1-CD2 3.32Å; Y102-L179 HydrophobicContact CD1-CG 4.1Å; Y102-L179 HydrophobicContact CD2-CD1 3.86Å; Y102-L179 HydrophobicContact CD2-CD2 3.84Å; Y102-L179 HydrophobicContact CD2-CG 4.09Å; Y102-L179 HydrophobicContact CE1-CD2 3.77Å; Y102-L179 HydrophobicContact CE2-CD2 4.29Å; Y102-L179 HydrophobicContact CG-CD1 3.95Å; Y102-L179 HydrophobicContact CG-CD2 3.35Å; Y102-L179 HydrophobicContact CG-CG 3.65Å; M168-L179 HydrophobicContact CE-CD2 4.2Å; L171-L179 HydrophobicContact CD1-CD1 3.16Å; L171-L179 HydrophobicContact CD2-CD1 3.59Å; L171-L179 HydrophobicContact CG-CD1 4Å; L179-V181 HydrophobicContact CD2-CG2 3.86Å; L179-V181 HydrophobicContact CG-CG2 4.47Å; L179-I203 HydrophobicContact CD2-CG2 4.11Å; L179-V212 HydrophobicContact CB-CG1 4.36Å; L179-K213 PolarHBondContact N-O 3.38Å; L179-V214 CarbonylContact O-C 3.51Å; L179-V214 WeakPolarHBondContact O-CA 3.4Å; L179-A215 PolarHBondContact O-N 2.72Å
180	A	98.9	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	95.4	170.9	0	0	0	0	0	108.3	A100 F101 Y102 S182 A215 H217 Y261	A100-A180 PolarHBondContact O-N 3.05Å; F101-A180 WeakPolarHBondContact CA-O 3.46Å; F101-A180 HydrophobicContact CD1-CB 3.75Å; F101-A180 HydrophobicContact CE1-CB 4.04Å; Y102-A180 PolarHBondContact N-O 3.18Å; A180-S182 PolarHBondContact O-N 3.17Å; A180-A215 WeakPolarHBondContact CA-O 3.45Å; A180-H217 HydrophobicContact CB-CB 4.42Å; A180-Y261 HydrophobicContact CB-CD2 4.04Å; A180-Y261 HydrophobicContact CB-CE2 4.05Å
181	V	98.9	Very high	97.9	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.1	-175	174.1	0	0	0	0	109.8	Y102 T104 L179 W183 I203 V214 A215 H217	Y102-V181 HydrophobicContact CD1-CG2 4.2Å; T104-V181 HydrophobicContact CG2-CG1 3.98Å; L179-V181 HydrophobicContact CD2-CG2 3.86Å; L179-V181 HydrophobicContact CG-CG2 4.47Å; V181-W183 PolarHBondContact O-N 3.33Å; V181-I203 HydrophobicContact CG2-CG2 4.35Å; V181-V214 HydrophobicContact CB-CG1 4.49Å; V181-V214 HydrophobicContact CG2-CG1 3.7Å; V181-A215 PolarHBondContact N-O 2.89Å; V181-H217 PolarHBondContact O-N 3.19Å
182	S	98.8	Very high	97.6	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	122.9	167	173.4	0	0	0	0	109	Y102 A180 H217 E219	Y102-S182 PolarHBondContact O-N 2.85Å; A180-S182 PolarHBondContact O-N 3.17Å; S182-H217 WeakPolarHBondContact CA-O 3.43Å; S182-E219 WeakPolarHBondContact CB-OE1 3.41Å; S182-E219 VanDerWaalsContact OG-CG 3.25Å; S182-E219 WeakPolarHBondContact OG-CG 3.4Å; S182-E219 PolarHBondContact OG-OE1 3.19Å
183	W	98.8	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.2	-167.9	-174.5	88.6	0	0	0	112.6	V181 P185 D197 F216 H217 I218 E219 N232 Y235 I236	V181-W183 PolarHBondContact O-N 3.33Å; W183-P185 VanDerWaalsContact CH2-CA 3.41Å; W183-P185 HydrophobicContact CH2-CB 3.98Å; W183-P185 HydrophobicContact CH2-CG 3.94Å; W183-P185 HydrophobicContact CZ3-CB 4.31Å; W183-P185 HydrophobicContact CZ3-CG 3.77Å; W183-D197 PolarHBondContact NE1-OD1 3.21Å; W183-F216 HydrophobicContact CB-CD1 3.93Å; W183-F216 AromaticContact CD1-CD1 3.67Å; W183-F216 AromaticContact CD1-CE1 3.73Å; W183-F216 HydrophobicContact CD2-CD1 4.48Å; W183-F216 AromaticContact CG-CD1 3.75Å; W183-F216 HydrophobicContact CG-CD1 3.75Å; W183-F216 HydrophobicContact CG-CE1 4.27Å; W183-H217 PolarHBondContact N-O 3.34Å; W183-I218 HydrophobicContact CE3-CG1 4.43Å; W183-I218 HydrophobicContact CE3-CG2 4.38Å; W183-E219 PolarHBondContact O-N 3.07Å; W183-E219 VanDerWaalsContact O-N 3.07Å; W183-N232 HydrophobicContact CH2-CB 3.78Å; W183-N232 HydrophobicContact CZ3-CB 3.95Å; W183-Y235 AromaticContact CZ2-CD1 3.92Å; W183-Y235 HydrophobicContact CZ2-CD1 3.92Å; W183-Y235 HydrophobicContact CZ2-CE1 4.03Å; W183-I236 HydrophobicContact CD2-CD1 3.97Å; W183-I236 HydrophobicContact CE3-CD1 4Å; W183-I236 HydrophobicContact CH2-CD1 3.96Å; W183-I236 HydrophobicContact CH2-CG1 4.2Å; W183-I236 HydrophobicContact CZ2-CD1 3.94Å; W183-I236 HydrophobicContact CZ2-CG1 3.83Å; W183-I236 HydrophobicContact CZ3-CD1 4.01Å
184	Y	98.7	Very high	97.5	Very high	25 Å²	25	30.7 Å²	30.7	10%	0.098	17%	0.17	C	C	.	.			trans	-113.5	150.1	167.3	-79.6	-92.2	0	0	0	110	M188 D190 E219 P220	Y184-M188 HydrophobicContact CD1-CB 4.44Å; Y184-D190 HydrophobicContact CE2-CB 3.87Å; Y184-E219 HydrophobicContact CD1-CB 4.38Å; Y184-E219 HydrophobicContact CD2-CB 3.93Å; Y184-E219 HydrophobicContact CD2-CG 4Å; Y184-E219 HydrophobicContact CE1-CB 3.92Å; Y184-E219 HydrophobicContact CE2-CB 3.44Å; Y184-E219 VanDerWaalsContact CE2-CB 3.44Å; Y184-E219 HydrophobicContact CE2-CG 3.53Å; Y184-E219 HydrophobicContact CG-CB 4.37Å; Y184-E219 VanDerWaalsContact CZ-CB 3.41Å; Y184-P220 VanDerWaalsContact CE1-O 3.29Å; Y184-P220 WeakPolarHBondContact CE1-O 3.39Å; Y184-P220 PolarHBondContact OH-O 2.83Å
185	P	98.6	Very high	97.4	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.039	18%	0.183	C	C	.	.			trans	-54.9	153.7	173.1	-25.8	35	0	0	0	113.1	W183 G187 M188 Y221 N232	W183-P185 VanDerWaalsContact CH2-CA 3.41Å; W183-P185 HydrophobicContact CH2-CB 3.98Å; W183-P185 HydrophobicContact CH2-CG 3.94Å; W183-P185 HydrophobicContact CZ3-CB 4.31Å; W183-P185 HydrophobicContact CZ3-CG 3.77Å; P185-G187 PolarHBondContact O-N 3.18Å; P185-M188 HydrophobicContact CB-CB 4.39Å; P185-M188 HydrophobicContact CB-CG 4.15Å; P185-M188 HydrophobicContact CB-SD 3.93Å; P185-M188 HydrophobicContact CG-SD 3.86Å; P185-M188 WeakPolarHBondContact O-CA 3.39Å; P185-M188 VanDerWaalsContact O-CB 3.31Å; P185-M188 WeakPolarHBondContact O-CB 3.1Å; P185-M188 PolarHBondContact O-N 2.91Å; P185-Y221 HydrophobicContact CG-CD1 3.69Å; P185-Y221 HydrophobicContact CG-CD2 4.01Å; P185-Y221 HydrophobicContact CG-CE1 3.86Å; P185-Y221 HydrophobicContact CG-CE2 4.18Å; P185-Y221 HydrophobicContact CG-CG 3.78Å; P185-N232 WeakPolarHBondContact CG-ND2 3.41Å
186	P	97.9	Very high	97.4	Very high	63 Å²	63	32.7 Å²	32.7	41%	0.409	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	130.1	179.2	-25.3	33.7	0	0	0	112.3	M188 D197 Y235	P186-M188 PolarHBondContact O-N 3.3Å; P186-D197 HydrophobicContact CG-CB 4.34Å; P186-Y235 HydrophobicContact CG-CD1 4.25Å; P186-Y235 HydrophobicContact CG-CE1 3.46Å; P186-Y235 VanDerWaalsContact CG-CE1 3.46Å; P186-Y235 HydrophobicContact CG-CE2 4.02Å; P186-Y235 WeakPolarHBondContact CG-OH 3.26Å
187	G	97.3	Very high	97.4	Very high	66 Å²	66	33.1 Å²	33.1	68%	0.68	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	-3.9	-176.5	0	0	0	0	0	115.1	P185	P185-G187 PolarHBondContact O-N 3.18Å
188	M	97.8	Very high	97.3	Very high	77 Å²	77	37.6 Å²	37.6	38%	0.379	21%	0.209	S	C	.	.			trans	-100	163.2	170.1	-57.9	-168.8	-178.6	0	0	111.1	Y184 P185 P186 P195 Y221	Y184-M188 HydrophobicContact CD1-CB 4.44Å; P185-M188 HydrophobicContact CB-CB 4.39Å; P185-M188 HydrophobicContact CB-CG 4.15Å; P185-M188 HydrophobicContact CB-SD 3.93Å; P185-M188 HydrophobicContact CG-SD 3.86Å; P185-M188 WeakPolarHBondContact O-CA 3.39Å; P185-M188 VanDerWaalsContact O-CB 3.31Å; P185-M188 WeakPolarHBondContact O-CB 3.1Å; P185-M188 PolarHBondContact O-N 2.91Å; P186-M188 PolarHBondContact O-N 3.3Å; M188-P195 WeakPolarHBondContact O-CA 3.44Å; M188-P195 WeakPolarHBondContact O-CB 3.4Å; M188-Y221 HydrophobicContact SD-CD2 3.86Å; M188-Y221 HydrophobicContact SD-CG 4.14Å
189	K	96.3	Very high	97.3	Very high	90 Å²	90	37.8 Å²	37.8	39%	0.391	21%	0.21	S	C	.	.			trans	-160.9	167.2	-173.7	56.3	178.9	-169	171.2	0	111	G193 E194	K189-G193 VanDerWaalsContact CD-O 3.27Å; K189-G193 WeakPolarHBondContact CD-O 3.22Å; K189-G193 PolarHBondContact NZ-O 3.2Å; K189-E194 VanDerWaalsContact NZ-CD 3.29Å; K189-E194 IonicContact NZ-OE1 3.17Å; K189-E194 IonicContact NZ-OE2 3.45Å; K189-E194 PolarHBondContact NZ-OE2 3.13Å
190	D	94.8	Very high	97.3	Very high	20 Å²	20	38 Å²	38	11%	0.107	21%	0.211	C	C	.	.			trans	-70.2	175	163.6	73.1	84.8	0	0	0	111.4	H117 Y184 N192 G193	H117-D190 IonicContact CE1-OD1 3.92Å; H117-D190 PolarHBondContact CE1-OD1 3.13Å; H117-D190 IonicContact CE1-OD2 3.57Å; H117-D190 IonicContact NE2-OD1 3.11Å; H117-D190 PolarHBondContact NE2-OD1 3.32Å; H117-D190 IonicContact NE2-OD2 3.87Å; H117-D190 PolarHBondContact NE2-OD2 3.18Å; Y184-D190 HydrophobicContact CE2-CB 3.87Å; D190-N192 VanDerWaalsContact C-N 3.26Å; D190-N192 PolarHBondContact O-N 3.04Å; D190-N192 WeakPolarHBondContact OD1-CA 3.49Å; D190-N192 PolarHBondContact OD1-N 2.89Å; D190-G193 PolarHBondContact OD1-N 3.46Å
191	E	92.9	Very high	97.3	Very high	186 Å²	186	40.7 Å²	40.7	87%	0.869	23%	0.229	S	C	*	.	S	Bend	trans	-67.8	-21.7	-174.3	-61.9	-173.7	163	0	0	114.4
192	N	93.3	Very high	97.3	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.193	24%	0.244	C	C	.	.	S	Bend	trans	-117.6	-5	-172.1	-58.4	-75.5	0	0	0	113.6	H120 P121 D190	H120-N192 PolarHBondContact NE2-ND2 3.02Å; P121-N192 WeakPolarHBondContact CD-OD1 3.09Å; P121-N192 WeakPolarHBondContact CG-OD1 3.44Å; D190-N192 VanDerWaalsContact C-N 3.26Å; D190-N192 PolarHBondContact O-N 3.04Å; D190-N192 WeakPolarHBondContact OD1-CA 3.49Å; D190-N192 PolarHBondContact OD1-N 2.89Å
193	G	95	Very high	97.3	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	24%	0.243	C	C	.	.	S	Bend	trans	-104.1	-156.4	-177.1	0	0	0	0	0	116.4	H117 K189 D190	H117-G193 WeakPolarHBondContact NE2-CA 3.43Å; H117-G193 PolarHBondContact NE2-N 2.84Å; K189-G193 VanDerWaalsContact CD-O 3.27Å; K189-G193 WeakPolarHBondContact CD-O 3.22Å; K189-G193 PolarHBondContact NZ-O 3.2Å; D190-G193 PolarHBondContact OD1-N 3.46Å
194	E	97.4	Very high	97.3	Very high	58 Å²	58	43.5 Å²	43.5	27%	0.271	24%	0.243	S	C	.	.			trans	-135.2	163.5	170.7	-66.9	-62.3	175.7	0	0	109	K114 I116 K189 T196	K114-E194 IonicContact NZ-OE1 3.89Å; K114-E194 PolarHBondContact NZ-OE1 2.86Å; I116-E194 HydrophobicContact CD1-CB 4.27Å; I116-E194 HydrophobicContact CD1-CG 3.76Å; I116-E194 HydrophobicContact CG1-CG 4.46Å; I116-E194 HydrophobicContact CG2-CG 4.22Å; K189-E194 VanDerWaalsContact NZ-CD 3.29Å; K189-E194 IonicContact NZ-OE1 3.17Å; K189-E194 IonicContact NZ-OE2 3.45Å; K189-E194 PolarHBondContact NZ-OE2 3.13Å; E194-T196 WeakPolarHBondContact O-CG2 3.08Å
195	P	98.1	Very high	97.3	Very high	40 Å²	40	47.7 Å²	47.7	26%	0.26	26%	0.264	S	S	.	.			trans	-59.6	142.1	178.7	-22.4	35.7	0	0	0	111.7	R159 M188	R159-P195 PolarHBondContact NH2-O 2.94Å; M188-P195 WeakPolarHBondContact O-CA 3.44Å; M188-P195 WeakPolarHBondContact O-CB 3.4Å
196	T	97.7	Very high	97.2	Very high	10 Å²	10	48.2 Å²	48.2	6%	0.061	27%	0.267	C	S	.	.			trans	-124.6	-4.1	-172.2	56.7	0	0	0	0	115.1	T104 W105 E194 D198 I199	T104-T196 WeakPolarHBondContact OG1-CB 3.25Å; W105-T196 HydrophobicContact CB-CG2 4.23Å; E194-T196 WeakPolarHBondContact O-CG2 3.08Å; T196-D198 PolarHBondContact O-N 3.19Å; T196-I199 PolarHBondContact O-N 3.28Å; T196-I199 VanDerWaalsContact O-N 3.1Å
197	D	98.4	Very high	97.2	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.5	-26.8	-179.9	180	74.4	0	0	0	113	W183 P186 I199 V200 Y235 K239 Y240	W183-D197 PolarHBondContact NE1-OD1 3.21Å; P186-D197 HydrophobicContact CG-CB 4.34Å; D197-I199 PolarHBondContact O-N 3.43Å; D197-V200 WeakPolarHBondContact O-CB 3.29Å; D197-V200 PolarHBondContact O-N 2.77Å; D197-Y235 PolarHBondContact OD2-OH 2.88Å; D197-K239 IonicContact OD2-NZ 3.65Å; D197-K239 PolarHBondContact OD2-NZ 3.27Å; D197-Y240 PolarHBondContact O-OH 2.89Å; D197-Y240 PolarHBondContact OD1-OH 2.96Å; D197-Y240 PolarHBondContact OD2-OH 2.76Å
198	D	97.4	Very high	97.3	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-63.1	-24.7	176.9	63.9	-48.7	0	0	0	113.4	R159 T196 P201	R159-D198 IonicContact CZ-OD1 3.06Å; R159-D198 IonicContact CZ-OD2 3.51Å; R159-D198 IonicContact NE-OD2 2.88Å; R159-D198 PolarHBondContact NE-OD2 3.02Å; R159-D198 VanDerWaalsContact NE-OD2 3.11Å; R159-D198 IonicContact NH2-OD1 3.46Å; R159-D198 PolarHBondContact NH2-OD1 2.59Å; R159-D198 IonicContact NH2-OD2 3.86Å; R159-D198 PolarHBondContact NH2-OD2 3.3Å; T196-D198 PolarHBondContact O-N 3.19Å; D198-P201 WeakPolarHBondContact O-CD 3.39Å
199	I	97.8	Very high	97.2	Very high	5 Å²	5	44 Å²	44	3%	0.026	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-82.3	-22.1	-179.3	-45.4	-178.2	0	0	0	111.7	T104 R159 I164 T196 D197 L202 I203	T104-I199 WeakPolarHBondContact O-CD1 3.27Å; R159-I199 HydrophobicContact CG-CD1 3.41Å; R159-I199 VanDerWaalsContact CG-CD1 3.41Å; R159-I199 HydrophobicContact CG-CG1 3.78Å; I164-I199 HydrophobicContact CD1-CG2 4.23Å; T196-I199 PolarHBondContact O-N 3.28Å; T196-I199 VanDerWaalsContact O-N 3.1Å; D197-I199 PolarHBondContact O-N 3.43Å; I199-L202 WeakPolarHBondContact O-CB 3.38Å; I199-L202 PolarHBondContact O-N 3.36Å; I199-I203 HydrophobicContact CB-CD1 4.33Å; I199-I203 HydrophobicContact CG2-CD1 3.85Å; I199-I203 HydrophobicContact CG2-CG1 4.02Å; I199-I203 PolarHBondContact O-N 3.12Å; I199-I203 VanDerWaalsContact O-N 3.12Å
200	V	98.8	Very high	97.2	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-55	-44.1	-172.5	175.4	0	0	0	0	113.7	D197 L202 I203 L204 F216 Y240	D197-V200 WeakPolarHBondContact O-CB 3.29Å; D197-V200 PolarHBondContact O-N 2.77Å; V200-L202 VanDerWaalsContact C-N 3.33Å; V200-L202 PolarHBondContact O-N 3.42Å; V200-I203 PolarHBondContact O-N 3.32Å; V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.33Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 2.9Å; V200-F216 HydrophobicContact CG1-CE1 3.95Å; V200-F216 HydrophobicContact CG1-CZ 3.78Å; V200-F216 HydrophobicContact CG2-CE1 4.34Å; V200-Y240 HydrophobicContact CB-CE1 4.06Å; V200-Y240 HydrophobicContact CB-CE2 4.23Å; V200-Y240 HydrophobicContact CG1-CD1 3.93Å; V200-Y240 HydrophobicContact CG1-CD2 3.92Å; V200-Y240 HydrophobicContact CG1-CE1 3.71Å; V200-Y240 HydrophobicContact CG1-CE2 3.71Å; V200-Y240 HydrophobicContact CG1-CG 4.04Å
201	P	98.7	Very high	97.3	Very high	57 Å²	57	43.3 Å²	43.3	37%	0.37	23%	0.226	S	C	.	.	H	α-helix	trans	-54.5	-45.4	174.3	-26.3	34.6	0	0	0	113.3	D198 I203 L204 E205 Y240	D198-P201 WeakPolarHBondContact O-CD 3.39Å; P201-I203 PolarHBondContact O-N 2.83Å; P201-L204 WeakPolarHBondContact O-CB 3.11Å; P201-L204 PolarHBondContact O-N 2.75Å; P201-E205 WeakPolarHBondContact O-CG 3.33Å; P201-E205 PolarHBondContact O-N 3.31Å; P201-Y240 HydrophobicContact CG-CE1 4.04Å
202	L	98.2	Very high	97.6	Very high	62 Å²	62	34.4 Å²	34.4	33%	0.325	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-40.3	179.8	178.2	61.1	0	0	0	111.6	P161 I164 I199 V200 L204 E205 V206	P161-L202 HydrophobicContact CB-CD2 4.42Å; P161-L202 HydrophobicContact CG-CD2 4.09Å; I164-L202 HydrophobicContact CD1-CB 4.49Å; I164-L202 HydrophobicContact CD1-CD2 3.53Å; I164-L202 HydrophobicContact CD1-CG 3.7Å; I199-L202 WeakPolarHBondContact O-CB 3.38Å; I199-L202 PolarHBondContact O-N 3.36Å; V200-L202 VanDerWaalsContact C-N 3.33Å; V200-L202 PolarHBondContact O-N 3.42Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 3.11Å; L202-E205 PolarHBondContact O-N 2.82Å; L202-V206 HydrophobicContact CD1-CG2 4.1Å; L202-V206 WeakPolarHBondContact O-CG2 3.35Å; L202-V206 PolarHBondContact O-N 2.92Å
203	I	98.7	Very high	97.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-43.6	177	-66.4	163.7	0	0	0	110.6	Y102 T104 I164 M168 L179 V181 I199 V200 P201 A207 V214	Y102-I203 HydrophobicContact CE1-CD1 4.33Å; T104-I203 HydrophobicContact CG2-CD1 3.3Å; I164-I203 HydrophobicContact CD1-CG1 4.17Å; I164-I203 HydrophobicContact CG2-CG1 4.49Å; M168-I203 HydrophobicContact CE-CG2 4.02Å; L179-I203 HydrophobicContact CD2-CG2 4.11Å; V181-I203 HydrophobicContact CG2-CG2 4.35Å; I199-I203 HydrophobicContact CB-CD1 4.33Å; I199-I203 HydrophobicContact CG2-CD1 3.85Å; I199-I203 HydrophobicContact CG2-CG1 4.02Å; I199-I203 PolarHBondContact O-N 3.12Å; I199-I203 VanDerWaalsContact O-N 3.12Å; V200-I203 PolarHBondContact O-N 3.32Å; P201-I203 PolarHBondContact O-N 2.83Å; I203-A207 WeakPolarHBondContact O-CB 3.37Å; I203-A207 PolarHBondContact O-N 2.86Å; I203-V214 HydrophobicContact CG2-CG2 4.13Å
204	L	98.8	Very high	98	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-50.3	177.8	-79.9	166.2	0	0	0	111.1	V200 P201 L202 V206 A207 H208 V214 Y240 H243 A245	V200-L204 HydrophobicContact CG1-CD1 3.84Å; V200-L204 HydrophobicContact CG1-CG 4.33Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 2.9Å; P201-L204 WeakPolarHBondContact O-CB 3.11Å; P201-L204 PolarHBondContact O-N 2.75Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 3.11Å; L204-V206 PolarHBondContact O-N 3.44Å; L204-A207 PolarHBondContact O-N 2.88Å; L204-H208 PolarHBondContact O-N 3Å; L204-V214 HydrophobicContact CD2-CB 3.7Å; L204-V214 HydrophobicContact CD2-CG1 4.23Å; L204-V214 HydrophobicContact CD2-CG2 3.85Å; L204-V214 HydrophobicContact CG-CG2 4.48Å; L204-Y240 HydrophobicContact CD1-CD1 3.74Å; L204-Y240 HydrophobicContact CD1-CG 3.94Å; L204-H243 HydrophobicContact CD1-CB 4.29Å; L204-H243 HydrophobicContact CD2-CB 4.41Å; L204-H243 PolarHBondContact O-CE1 2.85Å; L204-A245 HydrophobicContact CD2-CB 4.03Å; L204-A245 WeakPolarHBondContact O-CB 3.3Å
205	E	98.4	Very high	98.1	Very high	113 Å²	113	32.5 Å²	32.5	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-58.1	-49.7	179.3	-70	-60.7	151.8	0	0	111.8	P201 L202 H208 A209 H243	P201-E205 WeakPolarHBondContact O-CG 3.33Å; P201-E205 PolarHBondContact O-N 3.31Å; L202-E205 PolarHBondContact O-N 2.82Å; E205-H208 PolarHBondContact O-N 2.89Å; E205-A209 PolarHBondContact O-N 2.87Å; E205-H243 IonicContact OE1-CD2 2.98Å; E205-H243 PolarHBondContact OE1-CD2 2.81Å; E205-H243 IonicContact OE1-NE2 2.71Å; E205-H243 PolarHBondContact OE1-NE2 3.35Å; E205-H243 VanDerWaalsContact OE1-NE2 3.14Å; E205-H243 IonicContact OE2-NE2 3.53Å
206	V	97.9	Very high	98.2	Very high	17 Å²	17	30.7 Å²	30.7	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-68.3	-39.6	179.6	-173.1	0	0	0	0	110.7	I164 E165 M168 L202 L204 H208 A209 Y210	I164-V206 HydrophobicContact CG2-CB 3.8Å; I164-V206 HydrophobicContact CG2-CG1 3.96Å; I164-V206 HydrophobicContact CG2-CG2 4.06Å; E165-V206 HydrophobicContact CB-CG1 4.26Å; M168-V206 HydrophobicContact CB-CG1 4.4Å; M168-V206 HydrophobicContact CG-CB 4.46Å; M168-V206 HydrophobicContact CG-CG1 3.75Å; L202-V206 HydrophobicContact CD1-CG2 4.1Å; L202-V206 WeakPolarHBondContact O-CG2 3.35Å; L202-V206 PolarHBondContact O-N 2.92Å; L204-V206 PolarHBondContact O-N 3.44Å; V206-H208 VanDerWaalsContact C-N 3.29Å; V206-H208 PolarHBondContact O-N 3.17Å; V206-A209 PolarHBondContact O-N 3.07Å; V206-Y210 HydrophobicContact CG1-CD2 4.17Å; V206-Y210 HydrophobicContact CG1-CE2 4.27Å; V206-Y210 WeakPolarHBondContact O-CD2 3.43Å; V206-Y210 PolarHBondContact O-N 2.87Å
207	A	98.4	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-40.1	175.1	0	0	0	0	0	111.7	M168 I203 L204 Y210 H211 V212 V214 A245	M168-A207 HydrophobicContact CE-CB 3.79Å; M168-A207 HydrophobicContact SD-CB 4.04Å; I203-A207 WeakPolarHBondContact O-CB 3.37Å; I203-A207 PolarHBondContact O-N 2.86Å; L204-A207 PolarHBondContact O-N 2.88Å; A207-Y210 CarbonylContact O-C 3.46Å; A207-Y210 PolarHBondContact O-N 3.42Å; A207-Y210 VanDerWaalsContact O-N 3.12Å; A207-H211 PolarHBondContact O-N 3.31Å; A207-V212 CarbonylContact C-O 3.42Å; A207-V212 HydrophobicContact CB-CB 4.19Å; A207-V212 PolarHBondContact O-N 2.62Å; A207-V214 HydrophobicContact CB-CG2 3.73Å; A207-A245 HydrophobicContact CB-CB 4.1Å
208	H	98	Very high	98.2	Very high	79 Å²	79	29.8 Å²	29.8	37%	0.366	16%	0.156	S	C	.	.	H	α-helix	trans	-61.3	-46.7	177.3	-178.9	38.8	0	0	0	112.1	L204 E205 V206 Y210 H211 A245	L204-H208 PolarHBondContact O-N 3Å; E205-H208 PolarHBondContact O-N 2.89Å; V206-H208 VanDerWaalsContact C-N 3.29Å; V206-H208 PolarHBondContact O-N 3.17Å; H208-Y210 PolarHBondContact O-N 2.78Å; H208-Y210 VanDerWaalsContact O-N 3.16Å; H208-H211 PolarHBondContact O-N 3.38Å; H208-A245 HydrophobicContact CB-CB 3.97Å
209	A	95.8	Very high	98.3	Very high	38 Å²	38	25.8 Å²	25.8	31%	0.314	13%	0.134	S	C	.	.	H	α-helix	trans	-57.1	-29.3	176.4	0	0	0	0	0	112.2	V84 E205 V206	V84-A209 HydrophobicContact CG1-CB 4.34Å; V84-A209 WeakPolarHBondContact CG1-O 3.48Å; E205-A209 PolarHBondContact O-N 2.87Å; V206-A209 PolarHBondContact O-N 3.07Å
210	Y	96.8	Very high	98.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.2	177.7	-74.3	-92.5	0	0	0	114.6	L88 E165 M168 K169 R172 V206 A207 H208 V212	L88-Y210 HydrophobicContact CD2-CD1 4.1Å; E165-Y210 HydrophobicContact CG-CE2 3.76Å; E165-Y210 WeakPolarHBondContact CG-OH 3.22Å; E165-Y210 PolarHBondContact OE1-OH 3.13Å; M168-Y210 HydrophobicContact CB-CD1 4.17Å; M168-Y210 HydrophobicContact CB-CD2 3.64Å; M168-Y210 HydrophobicContact CB-CE2 4.33Å; M168-Y210 HydrophobicContact CB-CG 3.56Å; M168-Y210 HydrophobicContact CG-CD2 4.28Å; M168-Y210 HydrophobicContact CG-CG 4.48Å; K169-Y210 WeakPolarHBondContact CE-OH 3.4Å; K169-Y210 HydrophobicContact CG-CD1 4.4Å; K169-Y210 HydrophobicContact CG-CE1 3.57Å; R172-Y210 VanDerWaalsContact CD-O 3.22Å; R172-Y210 WeakPolarHBondContact CD-O 3.42Å; R172-Y210 HydrophobicContact CG-CD1 4.27Å; R172-Y210 PolarHBondContact NH1-O 2.94Å; V206-Y210 HydrophobicContact CG1-CD2 4.17Å; V206-Y210 HydrophobicContact CG1-CE2 4.27Å; V206-Y210 WeakPolarHBondContact O-CD2 3.43Å; V206-Y210 PolarHBondContact O-N 2.87Å; A207-Y210 CarbonylContact O-C 3.46Å; A207-Y210 PolarHBondContact O-N 3.42Å; A207-Y210 VanDerWaalsContact O-N 3.12Å; H208-Y210 PolarHBondContact O-N 2.78Å; H208-Y210 VanDerWaalsContact O-N 3.16Å; Y210-V212 PolarHBondContact O-N 2.98Å
211	H	97.4	Very high	98.2	Very high	91 Å²	91	28 Å²	28	42%	0.421	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.2	-172.4	-45.8	-59.5	0	0	0	114.3	P94 Y96 A207 H208	P94-H211 HydrophobicContact CG-CB 4.49Å; P94-H211 WeakPolarHBondContact CG-O 3.13Å; Y96-H211 WeakPolarHBondContact CE1-O 3.35Å; Y96-H211 PolarHBondContact OH-O 3.48Å; A207-H211 PolarHBondContact O-N 3.31Å; H208-H211 PolarHBondContact O-N 3.38Å
212	V	98.5	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.			trans	-91.9	146.4	168.3	177.5	0	0	0	0	107.9	M168 R172 L179 A207 Y210	M168-V212 HydrophobicContact SD-CB 4.16Å; M168-V212 HydrophobicContact SD-CG1 4.23Å; M168-V212 HydrophobicContact SD-CG2 4.32Å; R172-V212 HydrophobicContact CG-CG2 4.13Å; L179-V212 HydrophobicContact CB-CG1 4.36Å; A207-V212 CarbonylContact C-O 3.42Å; A207-V212 HydrophobicContact CB-CB 4.19Å; A207-V212 PolarHBondContact O-N 2.62Å; Y210-V212 PolarHBondContact O-N 2.98Å
213	K	98.9	Very high	98	Very high	56 Å²	56	34.7 Å²	34.7	24%	0.243	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	155.2	174.8	-57	-60	-173.2	-176.4	0	111.1	Y96 G177 V178 L179 P244 A245 Y247	Y96-K213 HydrophobicContact CD1-CG 3.85Å; Y96-K213 HydrophobicContact CE1-CG 3.66Å; G177-K213 PolarHBondContact O-N 2.91Å; V178-K213 CarbonylContact C-O 3.58Å; V178-K213 WeakPolarHBondContact CA-O 3.42Å; V178-K213 HydrophobicContact CG2-CB 4.35Å; L179-K213 PolarHBondContact N-O 3.38Å; K213-P244 PolarHBondContact NZ-O 2.89Å; K213-A245 CarbonylContact C-O 3.49Å; K213-A245 WeakPolarHBondContact CA-O 3.25Å; K213-Y247 HydrophobicContact CB-CD2 3.6Å; K213-Y247 HydrophobicContact CB-CG 4.18Å; K213-Y247 HydrophobicContact CG-CD2 4.03Å
214	V	98.9	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.5	-178.4	-179	0	0	0	0	109.2	L179 V181 I203 L204 A207 A245 Y247	L179-V214 CarbonylContact O-C 3.51Å; L179-V214 WeakPolarHBondContact O-CA 3.4Å; V181-V214 HydrophobicContact CB-CG1 4.49Å; V181-V214 HydrophobicContact CG2-CG1 3.7Å; I203-V214 HydrophobicContact CG2-CG2 4.13Å; L204-V214 HydrophobicContact CD2-CB 3.7Å; L204-V214 HydrophobicContact CD2-CG1 4.23Å; L204-V214 HydrophobicContact CD2-CG2 3.85Å; L204-V214 HydrophobicContact CG-CG2 4.48Å; A207-V214 HydrophobicContact CB-CG2 3.73Å; V214-A245 PolarHBondContact N-O 2.92Å; V214-Y247 VanDerWaalsContact O-CB 3.26Å; V214-Y247 WeakPolarHBondContact O-CB 3.48Å; V214-Y247 PolarHBondContact O-N 2.72Å
215	A	98.9	Very high	97.9	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	168.5	166.4	0	0	0	0	0	109.4	V178 L179 A180 V181 Y247	V178-A215 HydrophobicContact CG1-CB 3.83Å; L179-A215 PolarHBondContact O-N 2.72Å; A180-A215 WeakPolarHBondContact CA-O 3.45Å; V181-A215 PolarHBondContact N-O 2.89Å; A215-Y247 HydrophobicContact CB-CD1 4.03Å; A215-Y247 HydrophobicContact CB-CG 4.36Å
216	F	98.9	Very high	97.8	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.3	-177.6	-69.1	-97.8	0	0	0	110.9	W183 V200 I236 Y240 F246 F260 Y261	W183-F216 HydrophobicContact CB-CD1 3.93Å; W183-F216 AromaticContact CD1-CD1 3.67Å; W183-F216 AromaticContact CD1-CE1 3.73Å; W183-F216 HydrophobicContact CD2-CD1 4.48Å; W183-F216 AromaticContact CG-CD1 3.75Å; W183-F216 HydrophobicContact CG-CD1 3.75Å; W183-F216 HydrophobicContact CG-CE1 4.27Å; V200-F216 HydrophobicContact CG1-CE1 3.95Å; V200-F216 HydrophobicContact CG1-CZ 3.78Å; V200-F216 HydrophobicContact CG2-CE1 4.34Å; F216-I236 HydrophobicContact CB-CD1 4.45Å; F216-I236 HydrophobicContact CD1-CD1 4.14Å; F216-I236 HydrophobicContact CD1-CG1 4.45Å; F216-I236 HydrophobicContact CD1-CG2 4.37Å; F216-I236 HydrophobicContact CD2-CG2 3.65Å; F216-I236 HydrophobicContact CE1-CG1 4.49Å; F216-I236 HydrophobicContact CE1-CG2 4.26Å; F216-I236 HydrophobicContact CE2-CG2 3.55Å; F216-I236 HydrophobicContact CG-CD1 4.23Å; F216-I236 HydrophobicContact CG-CG2 4.08Å; F216-I236 HydrophobicContact CZ-CG2 3.86Å; F216-Y240 HydrophobicContact CE1-CD2 4.17Å; F216-Y240 HydrophobicContact CE1-CE2 4.29Å; F216-Y240 HydrophobicContact CE2-CD2 4.47Å; F216-Y240 AromaticContact CZ-CD2 3.62Å; F216-Y240 HydrophobicContact CZ-CD2 3.62Å; F216-Y240 HydrophobicContact CZ-CE2 4.17Å; F216-Y240 HydrophobicContact CZ-CG 4.29Å; F216-F246 HydrophobicContact CD2-CE2 4.19Å; F216-F246 HydrophobicContact CE2-CD2 4.02Å; F216-F246 AromaticContact CE2-CE2 3.61Å; F216-F246 HydrophobicContact CE2-CE2 3.61Å; F216-F260 HydrophobicContact CB-CD1 3.95Å; F216-F260 HydrophobicContact CB-CE1 4.24Å; F216-F260 HydrophobicContact CD2-CE1 4.47Å; F216-F260 WeakPolarHBondContact O-CA 3.31Å; F216-Y261 PolarHBondContact O-N 2.91Å
217	H	98.9	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	97.4	172.5	179.3	-157.8	0	0	0	107.4	F101 A180 V181 S182 W183 E219 Y261 Y263 Y316 Y318	F101-H217 HydrophobicContact CD1-CB 4.21Å; F101-H217 AromaticContact CD1-CE1 3.9Å; F101-H217 AromaticContact CD1-CG 3.79Å; F101-H217 AromaticContact CD1-ND1 3.25Å; F101-H217 WeakPolarHBondContact CD1-ND1 3.35Å; F101-H217 HydrophobicContact CE1-CB 4.39Å; F101-H217 AromaticContact CE1-CG 3.89Å; F101-H217 AromaticContact CE1-ND1 3.71Å; A180-H217 HydrophobicContact CB-CB 4.42Å; V181-H217 PolarHBondContact O-N 3.19Å; S182-H217 WeakPolarHBondContact CA-O 3.43Å; W183-H217 PolarHBondContact N-O 3.34Å; H217-E219 IonicContact CE1-OE1 2.73Å; H217-E219 PolarHBondContact O-N 2.75Å; H217-Y261 CarbonylContact C-O 3.55Å; H217-Y263 VanDerWaalsContact NE2-CB 3.3Å; H217-Y263 WeakPolarHBondContact NE2-CB 3.42Å; H217-Y263 AromaticContact NE2-CD2 3.62Å; H217-Y263 AromaticContact NE2-CG 3.6Å; H217-Y316 PolarHBondContact CD2-OH 3.3Å; H217-Y316 PolarHBondContact NE2-OH 3.24Å; H217-Y316 VanDerWaalsContact NE2-OH 3.09Å; H217-Y318 AromaticContact CE1-CD2 3.95Å; H217-Y318 AromaticContact CE1-CE2 3.63Å
218	I	98.9	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	113.1	-172.4	-57.4	175.9	0	0	0	108.8	W183 Y221 R224 M229 V233 F260 Y261 Y263	W183-I218 HydrophobicContact CE3-CG1 4.43Å; W183-I218 HydrophobicContact CE3-CG2 4.38Å; I218-Y221 HydrophobicContact CG2-CD1 4.5Å; I218-Y221 HydrophobicContact CG2-CE1 4.08Å; I218-R224 PolarHBondContact O-NH1 3.46Å; I218-M229 HydrophobicContact CD1-CE 3.69Å; I218-M229 HydrophobicContact CG2-CE 4.2Å; I218-M229 HydrophobicContact CG2-SD 3.99Å; I218-V233 HydrophobicContact CD1-CG2 4.48Å; I218-F260 HydrophobicContact CD1-CB 4.2Å; I218-F260 HydrophobicContact CD1-CD1 3.84Å; I218-F260 HydrophobicContact CD1-CG 4.29Å; I218-F260 HydrophobicContact CG1-CD1 4.41Å; I218-Y261 PolarHBondContact N-O 2.87Å; I218-Y263 PolarHBondContact O-N 2.94Å
219	E	98.6	Very high	97.7	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.042	19%	0.193	C	C	.	.			trans	-74.5	162.8	-179.2	-65.1	-66.1	180	0	0	112.2	S182 W183 Y184 H217 Y221 R224 Y263	S182-E219 WeakPolarHBondContact CB-OE1 3.41Å; S182-E219 VanDerWaalsContact OG-CG 3.25Å; S182-E219 WeakPolarHBondContact OG-CG 3.4Å; S182-E219 PolarHBondContact OG-OE1 3.19Å; W183-E219 PolarHBondContact O-N 3.07Å; W183-E219 VanDerWaalsContact O-N 3.07Å; Y184-E219 HydrophobicContact CD1-CB 4.38Å; Y184-E219 HydrophobicContact CD2-CB 3.93Å; Y184-E219 HydrophobicContact CD2-CG 4Å; Y184-E219 HydrophobicContact CE1-CB 3.92Å; Y184-E219 HydrophobicContact CE2-CB 3.44Å; Y184-E219 VanDerWaalsContact CE2-CB 3.44Å; Y184-E219 HydrophobicContact CE2-CG 3.53Å; Y184-E219 HydrophobicContact CG-CB 4.37Å; Y184-E219 VanDerWaalsContact CZ-CB 3.41Å; H217-E219 IonicContact CE1-OE1 2.73Å; H217-E219 PolarHBondContact O-N 2.75Å; E219-Y221 WeakPolarHBondContact O-CD1 3.46Å; E219-Y221 PolarHBondContact O-N 3.13Å; E219-R224 VanDerWaalsContact C-NH1 3.28Å; E219-R224 PolarHBondContact O-NH1 3.28Å; E219-Y263 WeakPolarHBondContact OE2-CD1 3.38Å
220	P	97.6	Very high	97.8	Very high	40 Å²	40	35.4 Å²	35.4	26%	0.26	19%	0.188	S	C	.	.			trans	-69.3	114.1	167.5	29.1	-33.9	0	0	0	109.5	Y184 Y263 L267	Y184-P220 VanDerWaalsContact CE1-O 3.29Å; Y184-P220 WeakPolarHBondContact CE1-O 3.39Å; Y184-P220 PolarHBondContact OH-O 2.83Å; P220-Y263 HydrophobicContact CG-CD1 4.24Å; P220-L267 HydrophobicContact CB-CD1 4.25Å
221	Y	97.9	Very high	97.9	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.067	21%	0.21	C	C	.	.			trans	-113.5	156.3	173.3	60.9	-97.1	0	0	0	111.3	P185 M188 I218 E219 G223 R224 S228 M229 N232	P185-Y221 HydrophobicContact CG-CD1 3.69Å; P185-Y221 HydrophobicContact CG-CD2 4.01Å; P185-Y221 HydrophobicContact CG-CE1 3.86Å; P185-Y221 HydrophobicContact CG-CE2 4.18Å; P185-Y221 HydrophobicContact CG-CG 3.78Å; M188-Y221 HydrophobicContact SD-CD2 3.86Å; M188-Y221 HydrophobicContact SD-CG 4.14Å; I218-Y221 HydrophobicContact CG2-CD1 4.5Å; I218-Y221 HydrophobicContact CG2-CE1 4.08Å; E219-Y221 WeakPolarHBondContact O-CD1 3.46Å; E219-Y221 PolarHBondContact O-N 3.13Å; Y221-G223 PolarHBondContact O-N 2.99Å; Y221-R224 HydrophobicContact CD1-CB 4.25Å; Y221-R224 HydrophobicContact CD1-CG 4.32Å; Y221-R224 HydrophobicContact CD2-CB 3.86Å; Y221-R224 HydrophobicContact CE1-CB 4Å; Y221-R224 HydrophobicContact CE1-CG 3.72Å; Y221-R224 VanDerWaalsContact CE2-CA 3.41Å; Y221-R224 HydrophobicContact CE2-CB 3.57Å; Y221-R224 HydrophobicContact CE2-CG 4.03Å; Y221-R224 HydrophobicContact CG-CB 4.18Å; Y221-R224 VanDerWaalsContact O-CB 3.32Å; Y221-R224 WeakPolarHBondContact O-CB 3.5Å; Y221-R224 PolarHBondContact O-N 2.99Å; Y221-R224 VanDerWaalsContact O-N 3.12Å; Y221-S228 PolarHBondContact OH-OG 2.99Å; Y221-S228 VanDerWaalsContact OH-OG 3.04Å; Y221-M229 HydrophobicContact CE1-SD 4.14Å; Y221-M229 PolarHBondContact OH-N 2.85Å; Y221-N232 PolarHBondContact OH-ND2 3.05Å
222	K	96.3	Very high	98	Very high	201 Å²	201	36 Å²	36	87%	0.874	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	126	179.9	-176.2	178.4	179.7	179.4	0	110.5
223	G	96.1	Very high	98	Very high	57 Å²	57	36 Å²	36	59%	0.588	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	17.8	-179.8	0	0	0	0	0	114.4	Y221 D225 S228	Y221-G223 PolarHBondContact O-N 2.99Å; G223-D225 PolarHBondContact O-N 3.48Å; G223-S228 PolarHBondContact O-OG 3.27Å
224	R	97.8	Very high	98	Very high	26 Å²	26	36.6 Å²	36.6	10%	0.098	20%	0.197	C	C	.	.			trans	-62.1	119.9	172.2	-173.2	169	73.2	168.6	8.5	111.3	I218 E219 Y221 M229 Y263 D264	I218-R224 PolarHBondContact O-NH1 3.46Å; E219-R224 VanDerWaalsContact C-NH1 3.28Å; E219-R224 PolarHBondContact O-NH1 3.28Å; Y221-R224 HydrophobicContact CD1-CB 4.25Å; Y221-R224 HydrophobicContact CD1-CG 4.32Å; Y221-R224 HydrophobicContact CD2-CB 3.86Å; Y221-R224 HydrophobicContact CE1-CB 4Å; Y221-R224 HydrophobicContact CE1-CG 3.72Å; Y221-R224 VanDerWaalsContact CE2-CA 3.41Å; Y221-R224 HydrophobicContact CE2-CB 3.57Å; Y221-R224 HydrophobicContact CE2-CG 4.03Å; Y221-R224 HydrophobicContact CG-CB 4.18Å; Y221-R224 VanDerWaalsContact O-CB 3.32Å; Y221-R224 WeakPolarHBondContact O-CB 3.5Å; Y221-R224 PolarHBondContact O-N 2.99Å; Y221-R224 VanDerWaalsContact O-N 3.12Å; R224-M229 HydrophobicContact CG-CG 3.92Å; R224-M229 HydrophobicContact CG-SD 3.81Å; R224-Y263 VanDerWaalsContact CZ-O 3.24Å; R224-Y263 PolarHBondContact NH1-O 2.69Å; R224-Y263 PolarHBondContact NH2-O 3.46Å; R224-D264 PolarHBondContact NH2-O 3.36Å
225	D	97.6	Very high	98	Very high	56 Å²	56	39.6 Å²	39.6	30%	0.299	21%	0.209	S	C	.	.			trans	-150.6	-179.3	-179.8	68	5.8	0	0	0	110.2	G223 T227 S228 M229 L268	G223-D225 PolarHBondContact O-N 3.48Å; D225-T227 PolarHBondContact O-N 3.28Å; D225-T227 PolarHBondContact OD1-N 3.37Å; D225-T227 VanDerWaalsContact OD1-N 3.16Å; D225-S228 PolarHBondContact N-OG 2.78Å; D225-S228 PolarHBondContact O-OG 2.81Å; D225-S228 VanDerWaalsContact OD1-CB 3.28Å; D225-S228 WeakPolarHBondContact OD1-CB 3.37Å; D225-S228 PolarHBondContact OD1-N 3.34Å; D225-S228 PolarHBondContact OD1-OG 3.36Å; D225-M229 VanDerWaalsContact O-CB 3.22Å; D225-M229 WeakPolarHBondContact O-CB 3.41Å; D225-M229 WeakPolarHBondContact O-CG 3.43Å; D225-M229 PolarHBondContact O-N 3.4Å; D225-L268 HydrophobicContact CB-CD1 4.48Å
226	E	96.1	Very high	98	Very high	27 Å²	27	39.5 Å²	39.5	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-31.7	-177.7	67.8	-89.2	-148.5	0	0	113.7	F230 Q272 K275 L276	E226-F230 PolarHBondContact O-N 3.48Å; E226-F230 VanDerWaalsContact O-N 3.13Å; E226-Q272 WeakPolarHBondContact CB-O 3.41Å; E226-Q272 WeakPolarHBondContact OE2-CG 3.5Å; E226-Q272 PolarHBondContact OE2-NE2 2.9Å; E226-K275 HydrophobicContact CG-CB 4.35Å; E226-K275 HydrophobicContact CG-CD 4.14Å; E226-K275 VanDerWaalsContact OE1-CD 3.29Å; E226-K275 WeakPolarHBondContact OE1-CD 3.42Å; E226-K275 IonicContact OE1-NZ 3.67Å; E226-K275 PolarHBondContact OE1-NZ 3.43Å; E226-L276 HydrophobicContact CB-CB 4.26Å
227	T	96.7	Very high	98	Very high	83 Å²	83	40.3 Å²	40.3	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-80.5	-48.1	-175.3	-57.9	0	0	0	0	110.8	D225 M229 F230 N231	D225-T227 PolarHBondContact O-N 3.28Å; D225-T227 PolarHBondContact OD1-N 3.37Å; D225-T227 VanDerWaalsContact OD1-N 3.16Å; T227-M229 VanDerWaalsContact C-N 3.31Å; T227-M229 PolarHBondContact O-N 3.32Å; T227-F230 PolarHBondContact O-N 3.11Å; T227-N231 PolarHBondContact O-N 3.34Å; T227-N231 PolarHBondContact O-ND2 3.42Å
228	S	97.9	Very high	98	Very high	24 Å²	24	45.8 Å²	45.8	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-38.6	174.5	61	0	0	0	0	111.2	Y221 G223 D225 N231 N232	Y221-S228 PolarHBondContact OH-OG 2.99Å; Y221-S228 VanDerWaalsContact OH-OG 3.04Å; G223-S228 PolarHBondContact O-OG 3.27Å; D225-S228 PolarHBondContact N-OG 2.78Å; D225-S228 PolarHBondContact O-OG 2.81Å; D225-S228 VanDerWaalsContact OD1-CB 3.28Å; D225-S228 WeakPolarHBondContact OD1-CB 3.37Å; D225-S228 PolarHBondContact OD1-N 3.34Å; D225-S228 PolarHBondContact OD1-OG 3.36Å; S228-N231 PolarHBondContact O-N 3.05Å; S228-N232 VanDerWaalsContact O-CB 3.32Å; S228-N232 WeakPolarHBondContact O-CB 3.3Å; S228-N232 VanDerWaalsContact O-CG 3.23Å; S228-N232 PolarHBondContact O-N 3.17Å; S228-N232 PolarHBondContact O-ND2 3.01Å; S228-N232 VanDerWaalsContact O-ND2 3.11Å
229	M	98.3	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-45.6	174.2	-76.8	-65.3	-58.3	0	0	111.9	I218 Y221 R224 D225 T227 N231 N232 V233 V262 W273 L276	I218-M229 HydrophobicContact CD1-CE 3.69Å; I218-M229 HydrophobicContact CG2-CE 4.2Å; I218-M229 HydrophobicContact CG2-SD 3.99Å; Y221-M229 HydrophobicContact CE1-SD 4.14Å; Y221-M229 PolarHBondContact OH-N 2.85Å; R224-M229 HydrophobicContact CG-CG 3.92Å; R224-M229 HydrophobicContact CG-SD 3.81Å; D225-M229 VanDerWaalsContact O-CB 3.22Å; D225-M229 WeakPolarHBondContact O-CB 3.41Å; D225-M229 WeakPolarHBondContact O-CG 3.43Å; D225-M229 PolarHBondContact O-N 3.4Å; T227-M229 VanDerWaalsContact C-N 3.31Å; T227-M229 PolarHBondContact O-N 3.32Å; M229-N231 VanDerWaalsContact C-N 3.35Å; M229-N231 PolarHBondContact O-N 3.31Å; M229-N232 PolarHBondContact O-N 3.36Å; M229-V233 VanDerWaalsContact O-CG2 3.3Å; M229-V233 WeakPolarHBondContact O-CG2 3.45Å; M229-V233 PolarHBondContact O-N 2.85Å; M229-V262 HydrophobicContact CE-CG2 4.32Å; M229-W273 HydrophobicContact CB-CZ3 4.36Å; M229-W273 HydrophobicContact CE-CH2 3.88Å; M229-W273 HydrophobicContact CE-CZ3 4.07Å; M229-W273 HydrophobicContact CG-CH2 3.81Å; M229-W273 HydrophobicContact CG-CZ3 3.95Å; M229-W273 HydrophobicContact SD-CH2 4.16Å; M229-L276 HydrophobicContact CB-CD2 3.72Å
230	F	98	Very high	98	Very high	50 Å²	50	50.3 Å²	50.3	22%	0.219	26%	0.257	C	S	.	.	H	α-helix	trans	-55.5	-50.3	173.5	-177.3	-84.7	0	0	0	111.5	E226 T227 N232 V233 K234 L276 I285 Y290	E226-F230 PolarHBondContact O-N 3.48Å; E226-F230 VanDerWaalsContact O-N 3.13Å; T227-F230 PolarHBondContact O-N 3.11Å; F230-N232 VanDerWaalsContact C-N 3.32Å; F230-N232 PolarHBondContact O-N 2.82Å; F230-V233 PolarHBondContact O-N 3.23Å; F230-K234 HydrophobicContact CE1-CD 4.33Å; F230-K234 VanDerWaalsContact O-CB 3.3Å; F230-K234 WeakPolarHBondContact O-CB 3.35Å; F230-K234 PolarHBondContact O-N 2.84Å; F230-L276 HydrophobicContact CB-CD1 3.73Å; F230-L276 HydrophobicContact CD2-CD1 3.82Å; F230-L276 HydrophobicContact CG-CD1 4.28Å; F230-I285 HydrophobicContact CD2-CB 4.1Å; F230-I285 HydrophobicContact CD2-CD1 4.3Å; F230-I285 HydrophobicContact CD2-CG1 4.05Å; F230-I285 HydrophobicContact CE2-CB 4.25Å; F230-I285 HydrophobicContact CE2-CG1 4.01Å; F230-Y290 HydrophobicContact CZ-CD2 4.04Å
231	N	98.4	Very high	98	Very high	88 Å²	88	48.4 Å²	48.4	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-38.9	-178.6	-70.3	-28.5	0	0	0	112.3	T227 S228 M229 Y235	T227-N231 PolarHBondContact O-N 3.34Å; T227-N231 PolarHBondContact O-ND2 3.42Å; S228-N231 PolarHBondContact O-N 3.05Å; M229-N231 VanDerWaalsContact C-N 3.35Å; M229-N231 PolarHBondContact O-N 3.31Å; N231-Y235 VanDerWaalsContact O-CB 3.32Å; N231-Y235 WeakPolarHBondContact O-CB 3.44Å; N231-Y235 PolarHBondContact O-N 3.46Å
232	N	98.8	Very high	98	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-72	-40.4	179	-74.5	-32.3	0	0	0	112.3	W183 P185 Y221 S228 M229 F230 Y235 I236	W183-N232 HydrophobicContact CH2-CB 3.78Å; W183-N232 HydrophobicContact CZ3-CB 3.95Å; P185-N232 WeakPolarHBondContact CG-ND2 3.41Å; Y221-N232 PolarHBondContact OH-ND2 3.05Å; S228-N232 VanDerWaalsContact O-CB 3.32Å; S228-N232 WeakPolarHBondContact O-CB 3.3Å; S228-N232 VanDerWaalsContact O-CG 3.23Å; S228-N232 PolarHBondContact O-N 3.17Å; S228-N232 PolarHBondContact O-ND2 3.01Å; S228-N232 VanDerWaalsContact O-ND2 3.11Å; M229-N232 PolarHBondContact O-N 3.36Å; F230-N232 VanDerWaalsContact C-N 3.32Å; F230-N232 PolarHBondContact O-N 2.82Å; N232-Y235 WeakPolarHBondContact O-CB 3.42Å; N232-Y235 PolarHBondContact O-N 3.46Å; N232-I236 VanDerWaalsContact O-CG1 3.32Å; N232-I236 WeakPolarHBondContact O-CG1 3.13Å; N232-I236 PolarHBondContact O-N 3.23Å
233	V	98.8	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-45.8	173.5	173	0	0	0	0	110.4	I218 M229 F230 Y235 I236 I237 F260 I285 F294	I218-V233 HydrophobicContact CD1-CG2 4.48Å; M229-V233 VanDerWaalsContact O-CG2 3.3Å; M229-V233 WeakPolarHBondContact O-CG2 3.45Å; M229-V233 PolarHBondContact O-N 2.85Å; F230-V233 PolarHBondContact O-N 3.23Å; V233-Y235 VanDerWaalsContact C-N 3.33Å; V233-Y235 PolarHBondContact O-N 2.99Å; V233-I236 PolarHBondContact O-N 2.82Å; V233-I237 HydrophobicContact CG1-CD1 3.66Å; V233-I237 HydrophobicContact CG1-CG1 4.37Å; V233-I237 WeakPolarHBondContact O-CG1 3.41Å; V233-I237 PolarHBondContact O-N 3.15Å; V233-F260 HydrophobicContact CG1-CE2 3.73Å; V233-F260 HydrophobicContact CG1-CZ 3.79Å; V233-F260 HydrophobicContact CG2-CE2 4.5Å; V233-I285 HydrophobicContact CB-CD1 3.79Å; V233-I285 HydrophobicContact CG1-CD1 3.4Å; V233-I285 VanDerWaalsContact CG1-CD1 3.4Å; V233-I285 HydrophobicContact CG2-CD1 4.37Å; V233-F294 HydrophobicContact CG1-CZ 4.27Å; V233-F294 HydrophobicContact CG2-CE1 3.76Å; V233-F294 HydrophobicContact CG2-CZ 4.03Å
234	K	98.7	Very high	98.3	Very high	68 Å²	68	48.1 Å²	48.1	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-54.4	-49.9	173.3	173.2	174.4	179.3	-173.5	0	111	F230 I236 I237 E238 Y290	F230-K234 HydrophobicContact CE1-CD 4.33Å; F230-K234 VanDerWaalsContact O-CB 3.3Å; F230-K234 WeakPolarHBondContact O-CB 3.35Å; F230-K234 PolarHBondContact O-N 2.84Å; K234-I236 PolarHBondContact O-N 3Å; K234-I237 PolarHBondContact O-N 2.88Å; K234-E238 WeakPolarHBondContact CE-OE1 3.48Å; K234-E238 VanDerWaalsContact CE-OE2 3.26Å; K234-E238 WeakPolarHBondContact CE-OE2 3.34Å; K234-E238 HydrophobicContact CG-CG 4.19Å; K234-E238 IonicContact NZ-OE1 3.97Å; K234-E238 WeakPolarHBondContact O-CB 3.34Å; K234-E238 WeakPolarHBondContact O-CG 3.45Å; K234-E238 PolarHBondContact O-N 3Å; K234-Y290 HydrophobicContact CB-CD1 4.15Å; K234-Y290 HydrophobicContact CB-CD2 4.39Å; K234-Y290 HydrophobicContact CB-CE1 4.36Å; K234-Y290 HydrophobicContact CB-CG 4.18Å; K234-Y290 HydrophobicContact CD-CD2 4.47Å; K234-Y290 HydrophobicContact CD-CE1 4.34Å; K234-Y290 HydrophobicContact CD-CE2 3.92Å; K234-Y290 WeakPolarHBondContact CE-OH 3.34Å; K234-Y290 HydrophobicContact CG-CD1 4.01Å; K234-Y290 HydrophobicContact CG-CD2 4.36Å; K234-Y290 HydrophobicContact CG-CE1 3.71Å; K234-Y290 HydrophobicContact CG-CE2 4.08Å; K234-Y290 HydrophobicContact CG-CG 4.34Å
235	Y	98.9	Very high	98.3	Very high	62 Å²	62	46.9 Å²	46.9	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-56.7	-48.9	177.3	170.5	-97.9	0	0	0	112.6	W183 P186 D197 N231 N232 V233 I237 E238 K239 Y240	W183-Y235 AromaticContact CZ2-CD1 3.92Å; W183-Y235 HydrophobicContact CZ2-CD1 3.92Å; W183-Y235 HydrophobicContact CZ2-CE1 4.03Å; P186-Y235 HydrophobicContact CG-CD1 4.25Å; P186-Y235 HydrophobicContact CG-CE1 3.46Å; P186-Y235 VanDerWaalsContact CG-CE1 3.46Å; P186-Y235 HydrophobicContact CG-CE2 4.02Å; P186-Y235 WeakPolarHBondContact CG-OH 3.26Å; D197-Y235 PolarHBondContact OD2-OH 2.88Å; N231-Y235 VanDerWaalsContact O-CB 3.32Å; N231-Y235 WeakPolarHBondContact O-CB 3.44Å; N231-Y235 PolarHBondContact O-N 3.46Å; N232-Y235 WeakPolarHBondContact O-CB 3.42Å; N232-Y235 PolarHBondContact O-N 3.46Å; V233-Y235 VanDerWaalsContact C-N 3.33Å; V233-Y235 PolarHBondContact O-N 2.99Å; Y235-I237 VanDerWaalsContact C-N 3.34Å; Y235-I237 PolarHBondContact O-N 2.93Å; Y235-E238 PolarHBondContact O-N 3.14Å; Y235-K239 HydrophobicContact CE1-CD 4.04Å; Y235-K239 HydrophobicContact CE2-CD 3.69Å; Y235-K239 WeakPolarHBondContact O-CB 3.4Å; Y235-K239 PolarHBondContact O-N 2.75Å; Y235-K239 WeakPolarHBondContact OH-CD 3.34Å; Y235-K239 WeakPolarHBondContact OH-CE 3.33Å; Y235-K239 PolarHBondContact OH-NZ 3.5Å; Y235-Y240 HydrophobicContact CE1-CE2 4.27Å
236	I	98.9	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-45.3	179.6	-72.2	164.8	0	0	0	110.6	W183 F216 N232 V233 K234 Y240 F246 F260	W183-I236 HydrophobicContact CD2-CD1 3.97Å; W183-I236 HydrophobicContact CE3-CD1 4Å; W183-I236 HydrophobicContact CH2-CD1 3.96Å; W183-I236 HydrophobicContact CH2-CG1 4.2Å; W183-I236 HydrophobicContact CZ2-CD1 3.94Å; W183-I236 HydrophobicContact CZ2-CG1 3.83Å; W183-I236 HydrophobicContact CZ3-CD1 4.01Å; F216-I236 HydrophobicContact CB-CD1 4.45Å; F216-I236 HydrophobicContact CD1-CD1 4.14Å; F216-I236 HydrophobicContact CD1-CG1 4.45Å; F216-I236 HydrophobicContact CD1-CG2 4.37Å; F216-I236 HydrophobicContact CD2-CG2 3.65Å; F216-I236 HydrophobicContact CE1-CG1 4.49Å; F216-I236 HydrophobicContact CE1-CG2 4.26Å; F216-I236 HydrophobicContact CE2-CG2 3.55Å; F216-I236 HydrophobicContact CG-CD1 4.23Å; F216-I236 HydrophobicContact CG-CG2 4.08Å; F216-I236 HydrophobicContact CZ-CG2 3.86Å; N232-I236 VanDerWaalsContact O-CG1 3.32Å; N232-I236 WeakPolarHBondContact O-CG1 3.13Å; N232-I236 PolarHBondContact O-N 3.23Å; V233-I236 PolarHBondContact O-N 2.82Å; K234-I236 PolarHBondContact O-N 3Å; I236-Y240 HydrophobicContact CB-CD2 4.45Å; I236-Y240 HydrophobicContact CG2-CD2 4.18Å; I236-Y240 WeakPolarHBondContact O-CA 3.22Å; I236-Y240 VanDerWaalsContact O-CB 3.28Å; I236-Y240 WeakPolarHBondContact O-CB 3.41Å; I236-Y240 WeakPolarHBondContact O-CD2 3.26Å; I236-Y240 PolarHBondContact O-N 2.84Å; I236-F246 HydrophobicContact CG2-CE2 3.74Å; I236-F246 HydrophobicContact CG2-CZ 4.18Å; I236-F260 HydrophobicContact CB-CE1 4.34Å; I236-F260 HydrophobicContact CD1-CE1 4.04Å; I236-F260 HydrophobicContact CG2-CE1 3.81Å; I236-F260 HydrophobicContact CG2-CZ 4.21Å
237	I	98.8	Very high	98.5	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-44.8	-179.1	-66.9	171.7	0	0	0	111.2	V233 K234 Y235 G241 F246 P258 F260 Y290	V233-I237 HydrophobicContact CG1-CD1 3.66Å; V233-I237 HydrophobicContact CG1-CG1 4.37Å; V233-I237 WeakPolarHBondContact O-CG1 3.41Å; V233-I237 PolarHBondContact O-N 3.15Å; K234-I237 PolarHBondContact O-N 2.88Å; Y235-I237 VanDerWaalsContact C-N 3.34Å; Y235-I237 PolarHBondContact O-N 2.93Å; I237-G241 WeakPolarHBondContact O-CA 3.22Å; I237-G241 PolarHBondContact O-N 3.34Å; I237-F246 HydrophobicContact CG1-CZ 4.39Å; I237-P258 HydrophobicContact CD1-CG 3.92Å; I237-P258 HydrophobicContact CG1-CG 4.14Å; I237-F260 HydrophobicContact CD1-CE2 4.41Å; I237-F260 HydrophobicContact CD1-CZ 4.29Å; I237-F260 HydrophobicContact CG1-CZ 4.17Å; I237-Y290 HydrophobicContact CB-CD1 4.33Å; I237-Y290 WeakPolarHBondContact CD1-O 3.46Å; I237-Y290 HydrophobicContact CG2-CD1 4.21Å
238	E	98.7	Very high	98.6	Very high	116 Å²	116	44 Å²	44	54%	0.542	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-39.4	178.8	-73.1	-177.9	152.5	0	0	112.2	K234 Y235 Y290	K234-E238 WeakPolarHBondContact CE-OE1 3.48Å; K234-E238 VanDerWaalsContact CE-OE2 3.26Å; K234-E238 WeakPolarHBondContact CE-OE2 3.34Å; K234-E238 HydrophobicContact CG-CG 4.19Å; K234-E238 IonicContact NZ-OE1 3.97Å; K234-E238 WeakPolarHBondContact O-CB 3.34Å; K234-E238 WeakPolarHBondContact O-CG 3.45Å; K234-E238 PolarHBondContact O-N 3Å; Y235-E238 PolarHBondContact O-N 3.14Å; E238-Y290 HydrophobicContact CG-CE1 3.86Å; E238-Y290 PolarHBondContact OE1-OH 3.1Å; E238-Y290 VanDerWaalsContact OE1-OH 3.11Å
239	K	98.8	Very high	98.6	Very high	96 Å²	96	44.1 Å²	44.1	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-81.8	-36	-176.5	-167	174.8	172.6	-165.6	0	113	D197 Y235	D197-K239 IonicContact OD2-NZ 3.65Å; D197-K239 PolarHBondContact OD2-NZ 3.27Å; Y235-K239 HydrophobicContact CE1-CD 4.04Å; Y235-K239 HydrophobicContact CE2-CD 3.69Å; Y235-K239 WeakPolarHBondContact O-CB 3.4Å; Y235-K239 PolarHBondContact O-N 2.75Å; Y235-K239 WeakPolarHBondContact OH-CD 3.34Å; Y235-K239 WeakPolarHBondContact OH-CE 3.33Å; Y235-K239 PolarHBondContact OH-NZ 3.5Å
240	Y	98.8	Very high	98.4	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-122.9	-15.5	-169.2	-50.5	-52.4	0	0	0	114.4	D197 V200 P201 L204 F216 Y235 I236 E242 H243 F246	D197-Y240 PolarHBondContact O-OH 2.89Å; D197-Y240 PolarHBondContact OD1-OH 2.96Å; D197-Y240 PolarHBondContact OD2-OH 2.76Å; V200-Y240 HydrophobicContact CB-CE1 4.06Å; V200-Y240 HydrophobicContact CB-CE2 4.23Å; V200-Y240 HydrophobicContact CG1-CD1 3.93Å; V200-Y240 HydrophobicContact CG1-CD2 3.92Å; V200-Y240 HydrophobicContact CG1-CE1 3.71Å; V200-Y240 HydrophobicContact CG1-CE2 3.71Å; V200-Y240 HydrophobicContact CG1-CG 4.04Å; P201-Y240 HydrophobicContact CG-CE1 4.04Å; L204-Y240 HydrophobicContact CD1-CD1 3.74Å; L204-Y240 HydrophobicContact CD1-CG 3.94Å; F216-Y240 HydrophobicContact CE1-CD2 4.17Å; F216-Y240 HydrophobicContact CE1-CE2 4.29Å; F216-Y240 HydrophobicContact CE2-CD2 4.47Å; F216-Y240 AromaticContact CZ-CD2 3.62Å; F216-Y240 HydrophobicContact CZ-CD2 3.62Å; F216-Y240 HydrophobicContact CZ-CE2 4.17Å; F216-Y240 HydrophobicContact CZ-CG 4.29Å; Y235-Y240 HydrophobicContact CE1-CE2 4.27Å; I236-Y240 HydrophobicContact CB-CD2 4.45Å; I236-Y240 HydrophobicContact CG2-CD2 4.18Å; I236-Y240 WeakPolarHBondContact O-CA 3.22Å; I236-Y240 VanDerWaalsContact O-CB 3.28Å; I236-Y240 WeakPolarHBondContact O-CB 3.41Å; I236-Y240 WeakPolarHBondContact O-CD2 3.26Å; I236-Y240 PolarHBondContact O-N 2.84Å; Y240-E242 VanDerWaalsContact C-N 3.3Å; Y240-E242 PolarHBondContact O-N 2.82Å; Y240-H243 VanDerWaalsContact O-CB 3.25Å; Y240-H243 WeakPolarHBondContact O-CB 3.25Å; Y240-H243 PolarHBondContact O-N 3.27Å; Y240-F246 WeakPolarHBondContact O-CB 3.28Å; Y240-F246 WeakPolarHBondContact O-CD2 3.27Å
241	G	98.5	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.6	-168.7	0	0	0	0	0	114.8	I237 H243 R248	I237-G241 WeakPolarHBondContact O-CA 3.22Å; I237-G241 PolarHBondContact O-N 3.34Å; G241-H243 VanDerWaalsContact C-N 3.28Å; G241-H243 PolarHBondContact O-N 3.28Å; G241-R248 VanDerWaalsContact O-CZ 3.25Å; G241-R248 PolarHBondContact O-NH1 2.88Å; G241-R248 PolarHBondContact O-NH2 2.76Å
242	E	98.3	Very high	97.3	Very high	172 Å²	172	53.5 Å²	53.5	80%	0.804	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.9	178.1	-63.5	-53.9	121.1	0	0	113.2	Y240	Y240-E242 VanDerWaalsContact C-N 3.3Å; Y240-E242 PolarHBondContact O-N 2.82Å
243	H	98.8	Very high	96.7	Very high	28 Å²	28	58.1 Å²	58.1	13%	0.13	28%	0.277	C	S	.	.	S	Bend	trans	-69.5	133.7	-178.6	-171.4	-81.9	0	0	0	111	L204 E205 Y240 G241 A245 F246	L204-H243 HydrophobicContact CD1-CB 4.29Å; L204-H243 HydrophobicContact CD2-CB 4.41Å; L204-H243 PolarHBondContact O-CE1 2.85Å; E205-H243 IonicContact OE1-CD2 2.98Å; E205-H243 PolarHBondContact OE1-CD2 2.81Å; E205-H243 IonicContact OE1-NE2 2.71Å; E205-H243 PolarHBondContact OE1-NE2 3.35Å; E205-H243 VanDerWaalsContact OE1-NE2 3.14Å; E205-H243 IonicContact OE2-NE2 3.53Å; Y240-H243 VanDerWaalsContact O-CB 3.25Å; Y240-H243 WeakPolarHBondContact O-CB 3.25Å; Y240-H243 PolarHBondContact O-N 3.27Å; G241-H243 VanDerWaalsContact C-N 3.28Å; G241-H243 PolarHBondContact O-N 3.28Å; H243-A245 WeakPolarHBondContact ND1-CB 3.34Å; H243-A245 PolarHBondContact ND1-N 3.15Å; H243-A245 PolarHBondContact O-N 2.95Å; H243-A245 VanDerWaalsContact O-N 3.09Å; H243-F246 WeakPolarHBondContact O-CB 3.49Å; H243-F246 PolarHBondContact O-N 2.98Å
244	P	98.4	Very high	96.3	Very high	69 Å²	69	59.5 Å²	59.5	45%	0.448	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	-176	-27.3	35.1	0	0	0	115.5	K213	K213-P244 PolarHBondContact NZ-O 2.89Å
245	A	98.8	Very high	96.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.6	173.6	0	0	0	0	0	114.2	L204 A207 H208 K213 V214 H243 Y247	L204-A245 HydrophobicContact CD2-CB 4.03Å; L204-A245 WeakPolarHBondContact O-CB 3.3Å; A207-A245 HydrophobicContact CB-CB 4.1Å; H208-A245 HydrophobicContact CB-CB 3.97Å; K213-A245 CarbonylContact C-O 3.49Å; K213-A245 WeakPolarHBondContact CA-O 3.25Å; V214-A245 PolarHBondContact N-O 2.92Å; H243-A245 WeakPolarHBondContact ND1-CB 3.34Å; H243-A245 PolarHBondContact ND1-N 3.15Å; H243-A245 PolarHBondContact O-N 2.95Å; H243-A245 VanDerWaalsContact O-N 3.09Å; A245-Y247 PolarHBondContact O-N 2.83Å
246	F	98.9	Very high	95.9	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.035	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-61.7	121.9	178.4	-171.9	-83.2	0	0	0	110.4	F216 I236 I237 Y240 H243 R248 P258	F216-F246 HydrophobicContact CD2-CE2 4.19Å; F216-F246 HydrophobicContact CE2-CD2 4.02Å; F216-F246 AromaticContact CE2-CE2 3.61Å; F216-F246 HydrophobicContact CE2-CE2 3.61Å; I236-F246 HydrophobicContact CG2-CE2 3.74Å; I236-F246 HydrophobicContact CG2-CZ 4.18Å; I237-F246 HydrophobicContact CG1-CZ 4.39Å; Y240-F246 WeakPolarHBondContact O-CB 3.28Å; Y240-F246 WeakPolarHBondContact O-CD2 3.27Å; H243-F246 WeakPolarHBondContact O-CB 3.49Å; H243-F246 PolarHBondContact O-N 2.98Å; F246-R248 HydrophobicContact CD1-CG 4.29Å; F246-P258 HydrophobicContact CE1-CB 3.65Å; F246-P258 HydrophobicContact CE1-CG 3.78Å; F246-P258 HydrophobicContact CZ-CB 3.94Å; F246-P258 HydrophobicContact CZ-CG 4.25Å
247	Y	98.8	Very high	95.9	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.039	32%	0.32	C	S	.	.			trans	-74.2	131.8	-173.3	-176.8	-109.2	0	0	0	111.4	Y96 H99 V178 K213 V214 A215 A245 H249 L259	Y96-Y247 PolarHBondContact O-OH 2.98Å; H99-Y247 AromaticContact CE1-CE1 3.65Å; H99-Y247 AromaticContact CE1-CZ 3.72Å; H99-Y247 AromaticContact NE2-CE1 3.99Å; H99-Y247 AromaticContact NE2-CZ 3.57Å; H99-Y247 PolarHBondContact NE2-OH 3.05Å; V178-Y247 HydrophobicContact CB-CD2 4.46Å; V178-Y247 HydrophobicContact CG1-CD1 4.22Å; V178-Y247 HydrophobicContact CG1-CD2 4Å; V178-Y247 HydrophobicContact CG1-CE2 4.37Å; V178-Y247 HydrophobicContact CG1-CG 3.89Å; V178-Y247 HydrophobicContact CG2-CD2 3.59Å; V178-Y247 HydrophobicContact CG2-CE2 3.36Å; V178-Y247 HydrophobicContact CG2-CG 4.32Å; K213-Y247 HydrophobicContact CB-CD2 3.6Å; K213-Y247 HydrophobicContact CB-CG 4.18Å; K213-Y247 HydrophobicContact CG-CD2 4.03Å; V214-Y247 VanDerWaalsContact O-CB 3.26Å; V214-Y247 WeakPolarHBondContact O-CB 3.48Å; V214-Y247 PolarHBondContact O-N 2.72Å; A215-Y247 HydrophobicContact CB-CD1 4.03Å; A215-Y247 HydrophobicContact CB-CG 4.36Å; A245-Y247 PolarHBondContact O-N 2.83Å; Y247-H249 HydrophobicContact CE1-CB 3.81Å; Y247-H249 PolarHBondContact OH-ND1 2.83Å; Y247-L259 HydrophobicContact CD1-CB 3.91Å; Y247-L259 HydrophobicContact CE1-CB 3.88Å; Y247-L259 HydrophobicContact CE1-CD1 4.21Å
248	R	98.6	Very high	95.9	Very high	89 Å²	89	65.2 Å²	65.2	34%	0.336	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.6	166.4	-65.6	178.6	174.5	77	-6.7	108.8	G241 F246 F256 L257	G241-R248 VanDerWaalsContact O-CZ 3.25Å; G241-R248 PolarHBondContact O-NH1 2.88Å; G241-R248 PolarHBondContact O-NH2 2.76Å; F246-R248 HydrophobicContact CD1-CG 4.29Å; R248-F256 HydrophobicContact CB-CB 4.08Å; R248-F256 HydrophobicContact CB-CD1 4.46Å; R248-L257 CarbonylContact C-O 3.58Å; R248-L257 WeakPolarHBondContact CA-O 3.22Å
249	H	97.4	Very high	95.9	Very high	26 Å²	26	59.9 Å²	59.9	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.6	175.2	-171.5	79.3	0	0	0	110	Y247 F256 L257 L259 I293	Y247-H249 HydrophobicContact CE1-CB 3.81Å; Y247-H249 PolarHBondContact OH-ND1 2.83Å; H249-F256 WeakPolarHBondContact O-CA 3.49Å; H249-L257 PolarHBondContact N-O 2.84Å; H249-L257 PolarHBondContact O-N 2.89Å; H249-L259 HydrophobicContact CB-CD1 4.2Å; H249-I293 HydrophobicContact CB-CD1 3.71Å
250	R	94.6	Very high	95.9	Very high	161 Å²	161	55.3 Å²	55.3	61%	0.608	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	117	177.4	-170.4	-179.4	-175.5	-173.9	-1.7	109.1	K255 F256	R250-K255 CarbonylContact C-O 3.56Å; R250-K255 WeakPolarHBondContact CA-O 3.18Å; R250-F256 HydrophobicContact CB-CD1 4.15Å; R250-F256 HydrophobicContact CB-CE1 3.78Å; R250-F256 HydrophobicContact CB-CZ 4Å; R250-F256 HydrophobicContact CG-CE1 4.24Å; R250-F256 HydrophobicContact CG-CE2 4.12Å; R250-F256 HydrophobicContact CG-CZ 3.95Å
251	T	90.3	Very high	95.9	Very high	31 Å²	31	55 Å²	55	19%	0.19	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71.2	166.2	174.9	66.7	0	0	0	0	111.4	T253 G254 K255 L257 I293	T251-T253 PolarHBondContact O-N 2.86Å; T251-T253 VanDerWaalsContact O-N 3.16Å; T251-T253 PolarHBondContact OG1-N 3.44Å; T251-T253 PolarHBondContact OG1-OG1 2.93Å; T251-G254 WeakPolarHBondContact O-CA 3.41Å; T251-G254 PolarHBondContact O-N 3.01Å; T251-G254 PolarHBondContact OG1-N 2.78Å; T251-K255 HydrophobicContact CG2-CB 4.42Å; T251-K255 PolarHBondContact N-O 2.71Å; T251-K255 PolarHBondContact OG1-N 3.06Å; T251-K255 VanDerWaalsContact OG1-N 3.09Å; T251-K255 PolarHBondContact OG1-O 2.69Å; T251-L257 HydrophobicContact CG2-CD1 3.88Å; T251-L257 HydrophobicContact CG2-CG 4.24Å; T251-I293 HydrophobicContact CG2-CD1 3.93Å; T251-I293 HydrophobicContact CG2-CG1 4.34Å
252	N	83.4	Confident	96	Very high	143 Å²	143	55 Å²	55	77%	0.765	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	172.3	-63.4	-10	0	0	0	112.9	G254	N252-G254 VanDerWaalsContact C-N 3.29Å
253	T	86.5	Confident	96	Very high	117 Å²	117	48.4 Å²	48.4	72%	0.718	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.9	173.9	56.1	0	0	0	0	113.5	T251 K255	T251-T253 PolarHBondContact O-N 2.86Å; T251-T253 VanDerWaalsContact O-N 3.16Å; T251-T253 PolarHBondContact OG1-N 3.44Å; T251-T253 PolarHBondContact OG1-OG1 2.93Å; T253-K255 VanDerWaalsContact C-N 3.34Å
254	G	90.4	Very high	96	Very high	29 Å²	29	48.3 Å²	48.3	30%	0.299	24%	0.241	S	C	.	.	S	Bend	trans	83.6	0.6	179.8	0	0	0	0	0	115.2	T251 N252	T251-G254 WeakPolarHBondContact O-CA 3.41Å; T251-G254 PolarHBondContact O-N 3.01Å; T251-G254 PolarHBondContact OG1-N 2.78Å; N252-G254 VanDerWaalsContact C-N 3.29Å
255	K	93.3	Very high	96	Very high	107 Å²	107	45.2 Å²	45.2	47%	0.465	22%	0.221	S	C	.	.			trans	-71.4	145.1	173.8	-67.5	-175.6	177	-178.6	0	110	R250 T251 T253 L257	R250-K255 CarbonylContact C-O 3.56Å; R250-K255 WeakPolarHBondContact CA-O 3.18Å; T251-K255 HydrophobicContact CG2-CB 4.42Å; T251-K255 PolarHBondContact N-O 2.71Å; T251-K255 PolarHBondContact OG1-N 3.06Å; T251-K255 VanDerWaalsContact OG1-N 3.09Å; T251-K255 PolarHBondContact OG1-O 2.69Å; T253-K255 VanDerWaalsContact C-N 3.34Å; K255-L257 HydrophobicContact CB-CG 4.35Å
256	F	96.1	Very high	95.9	Very high	125 Å²	125	49.6 Å²	49.6	55%	0.548	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.4	170.5	-76.4	-92.9	0	0	0	108.9	R248 H249 R250	R248-F256 HydrophobicContact CB-CB 4.08Å; R248-F256 HydrophobicContact CB-CD1 4.46Å; H249-F256 WeakPolarHBondContact O-CA 3.49Å; R250-F256 HydrophobicContact CB-CD1 4.15Å; R250-F256 HydrophobicContact CB-CE1 3.78Å; R250-F256 HydrophobicContact CB-CZ 4Å; R250-F256 HydrophobicContact CG-CE1 4.24Å; R250-F256 HydrophobicContact CG-CE2 4.12Å; R250-F256 HydrophobicContact CG-CZ 3.95Å
257	L	98.3	Very high	95.9	Very high	28 Å²	28	54.8 Å²	54.8	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.9	-177.1	-66.8	179.9	0	0	0	111.1	R248 H249 T251 K255 D291 I293	R248-L257 CarbonylContact C-O 3.58Å; R248-L257 WeakPolarHBondContact CA-O 3.22Å; H249-L257 PolarHBondContact N-O 2.84Å; H249-L257 PolarHBondContact O-N 2.89Å; T251-L257 HydrophobicContact CG2-CD1 3.88Å; T251-L257 HydrophobicContact CG2-CG 4.24Å; K255-L257 HydrophobicContact CB-CG 4.35Å; L257-D291 HydrophobicContact CD2-CB 4.35Å; L257-I293 HydrophobicContact CB-CD1 4Å; L257-I293 HydrophobicContact CB-CG1 4Å; L257-I293 HydrophobicContact CD1-CG1 4.34Å
258	P	98.6	Very high	95.8	Very high	8 Å²	8	55 Å²	55	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	144.5	166.3	-25.1	33.5	0	0	0	111.4	I237 F246 F260 D291 G292 I293	I237-P258 HydrophobicContact CD1-CG 3.92Å; I237-P258 HydrophobicContact CG1-CG 4.14Å; F246-P258 HydrophobicContact CE1-CB 3.65Å; F246-P258 HydrophobicContact CE1-CG 3.78Å; F246-P258 HydrophobicContact CZ-CB 3.94Å; F246-P258 HydrophobicContact CZ-CG 4.25Å; P258-F260 HydrophobicContact CB-CD2 4.35Å; P258-F260 HydrophobicContact CB-CE2 3.53Å; P258-F260 HydrophobicContact CB-CZ 3.89Å; P258-D291 WeakPolarHBondContact CD-O 3.38Å; P258-G292 CarbonylContact O-C 3.57Å; P258-G292 WeakPolarHBondContact O-CA 3.45Å; P258-I293 PolarHBondContact O-N 3.36Å
259	L	98.8	Very high	95.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.4	174.1	-173.6	153.3	0	0	0	110.4	Y247 H249 Y261 I293 I295 I348 I391	Y247-L259 HydrophobicContact CD1-CB 3.91Å; Y247-L259 HydrophobicContact CE1-CB 3.88Å; Y247-L259 HydrophobicContact CE1-CD1 4.21Å; H249-L259 HydrophobicContact CB-CD1 4.2Å; L259-Y261 HydrophobicContact CD2-CD2 3.72Å; L259-Y261 HydrophobicContact CD2-CE1 4.38Å; L259-Y261 HydrophobicContact CD2-CE2 3.31Å; L259-Y261 HydrophobicContact CD2-CG 4.4Å; L259-I293 CarbonylContact C-O 3.53Å; L259-I293 WeakPolarHBondContact CA-O 3.49Å; L259-I293 HydrophobicContact CB-CB 4.34Å; L259-I293 HydrophobicContact CD1-CB 4.5Å; L259-I293 HydrophobicContact CD1-CG2 3.95Å; L259-I293 HydrophobicContact CG-CB 4.27Å; L259-I293 HydrophobicContact CG-CG2 4.05Å; L259-I295 HydrophobicContact CD1-CD1 4.39Å; L259-I295 HydrophobicContact CD1-CG1 4.25Å; L259-I295 HydrophobicContact CD2-CG1 3.98Å; L259-I295 HydrophobicContact CG-CG1 4.06Å; L259-I348 HydrophobicContact CD1-CD1 4.46Å; L259-I391 HydrophobicContact CD1-CD1 4.27Å
260	F	98.9	Very high	95.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.5	-179.9	-60.2	-81.6	0	0	0	110.5	F216 I218 V233 I236 I237 P258 I293 F294 I295	F216-F260 HydrophobicContact CB-CD1 3.95Å; F216-F260 HydrophobicContact CB-CE1 4.24Å; F216-F260 HydrophobicContact CD2-CE1 4.47Å; F216-F260 WeakPolarHBondContact O-CA 3.31Å; I218-F260 HydrophobicContact CD1-CB 4.2Å; I218-F260 HydrophobicContact CD1-CD1 3.84Å; I218-F260 HydrophobicContact CD1-CG 4.29Å; I218-F260 HydrophobicContact CG1-CD1 4.41Å; V233-F260 HydrophobicContact CG1-CE2 3.73Å; V233-F260 HydrophobicContact CG1-CZ 3.79Å; V233-F260 HydrophobicContact CG2-CE2 4.5Å; I236-F260 HydrophobicContact CB-CE1 4.34Å; I236-F260 HydrophobicContact CD1-CE1 4.04Å; I236-F260 HydrophobicContact CG2-CE1 3.81Å; I236-F260 HydrophobicContact CG2-CZ 4.21Å; I237-F260 HydrophobicContact CD1-CE2 4.41Å; I237-F260 HydrophobicContact CD1-CZ 4.29Å; I237-F260 HydrophobicContact CG1-CZ 4.17Å; P258-F260 HydrophobicContact CB-CD2 4.35Å; P258-F260 HydrophobicContact CB-CE2 3.53Å; P258-F260 HydrophobicContact CB-CZ 3.89Å; F260-I293 PolarHBondContact N-O 3.13Å; F260-F294 HydrophobicContact CB-CD1 4.08Å; F260-F294 HydrophobicContact CB-CE1 4.23Å; F260-F294 HydrophobicContact CD2-CD1 4.35Å; F260-F294 AromaticContact CD2-CE1 3.84Å; F260-F294 HydrophobicContact CD2-CE1 3.84Å; F260-F294 HydrophobicContact CD2-CZ 4.03Å; F260-F294 HydrophobicContact CE2-CZ 4.46Å; F260-F294 HydrophobicContact CG-CE1 4.25Å; F260-I295 PolarHBondContact O-N 3.27Å
261	Y	98.9	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.5	164.7	-64.5	-87.9	0	0	0	109	H99 F101 A180 F216 H217 I218 L259 I295 Y316 I348	H99-Y261 AromaticContact ND1-CE2 3.77Å; H99-Y261 AromaticContact ND1-CZ 3.69Å; H99-Y261 PolarHBondContact ND1-OH 3.2Å; F101-Y261 HydrophobicContact CE1-CD1 4.22Å; F101-Y261 HydrophobicContact CE1-CD2 4.21Å; F101-Y261 HydrophobicContact CE1-CG 4.02Å; F101-Y261 HydrophobicContact CZ-CD1 4.23Å; F101-Y261 HydrophobicContact CZ-CE1 4.38Å; F101-Y261 HydrophobicContact CZ-CG 4.49Å; A180-Y261 HydrophobicContact CB-CD2 4.04Å; A180-Y261 HydrophobicContact CB-CE2 4.05Å; F216-Y261 PolarHBondContact O-N 2.91Å; H217-Y261 CarbonylContact C-O 3.55Å; I218-Y261 PolarHBondContact N-O 2.87Å; L259-Y261 HydrophobicContact CD2-CD2 3.72Å; L259-Y261 HydrophobicContact CD2-CE1 4.38Å; L259-Y261 HydrophobicContact CD2-CE2 3.31Å; L259-Y261 HydrophobicContact CD2-CG 4.4Å; Y261-I295 HydrophobicContact CD1-CB 3.92Å; Y261-I295 HydrophobicContact CD1-CG1 4.4Å; Y261-I295 HydrophobicContact CD1-CG2 3.97Å; Y261-I295 HydrophobicContact CE1-CB 4.23Å; Y261-I295 HydrophobicContact CE1-CG1 4.35Å; Y261-I295 HydrophobicContact CE1-CG2 4.05Å; Y261-Y316 AromaticContact CD1-CD1 4Å; Y261-Y316 HydrophobicContact CD1-CD1 4Å; Y261-Y316 AromaticContact CD1-CD2 3.86Å; Y261-Y316 HydrophobicContact CD1-CD2 3.86Å; Y261-Y316 HydrophobicContact CD1-CE1 4.29Å; Y261-Y316 HydrophobicContact CD1-CE2 4.12Å; Y261-Y316 AromaticContact CD1-CG 3.77Å; Y261-Y316 HydrophobicContact CD1-CG 3.77Å; Y261-Y316 HydrophobicContact CE1-CD2 4.32Å; Y261-Y316 HydrophobicContact CE1-CG 4.19Å; Y261-I348 HydrophobicContact CE1-CD1 3.99Å; Y261-I348 HydrophobicContact CE1-CG2 4.12Å
262	V	98.9	Very high	95.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	100.9	179.1	-173.7	0	0	0	0	109.1	M229 W273 F294 I295 F312	M229-V262 HydrophobicContact CE-CG2 4.32Å; V262-W273 HydrophobicContact CG1-CH2 3.75Å; V262-W273 HydrophobicContact CG1-CZ2 3.82Å; V262-F294 HydrophobicContact CG2-CD1 4.42Å; V262-I295 PolarHBondContact N-O 3.07Å; V262-F312 HydrophobicContact CB-CE1 4.4Å; V262-F312 HydrophobicContact CG2-CE1 4.22Å
263	Y	98.8	Very high	96.6	Very high	34 Å²	34	48.2 Å²	48.2	13%	0.133	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	140	179.9	-161.6	-129.2	0	0	0	110.8	H217 I218 E219 P220 R224 S265 L297 Y316 Y318	H217-Y263 VanDerWaalsContact NE2-CB 3.3Å; H217-Y263 WeakPolarHBondContact NE2-CB 3.42Å; H217-Y263 AromaticContact NE2-CD2 3.62Å; H217-Y263 AromaticContact NE2-CG 3.6Å; I218-Y263 PolarHBondContact O-N 2.94Å; E219-Y263 WeakPolarHBondContact OE2-CD1 3.38Å; P220-Y263 HydrophobicContact CG-CD1 4.24Å; R224-Y263 VanDerWaalsContact CZ-O 3.24Å; R224-Y263 PolarHBondContact NH1-O 2.69Å; R224-Y263 PolarHBondContact NH2-O 3.46Å; Y263-S265 PolarHBondContact O-N 3.43Å; Y263-S265 VanDerWaalsContact O-N 3.13Å; Y263-L297 HydrophobicContact CD2-CD2 3.69Å; Y263-L297 HydrophobicContact CE2-CD2 3.61Å; Y263-Y316 VanDerWaalsContact CA-OH 3.24Å; Y263-Y316 WeakPolarHBondContact CA-OH 3.42Å; Y263-Y316 WeakPolarHBondContact CD2-OH 3.2Å; Y263-Y316 PolarHBondContact N-OH 3.08Å; Y263-Y318 HydrophobicContact CD2-CD1 4.35Å; Y263-Y318 HydrophobicContact CD2-CD2 4.31Å; Y263-Y318 HydrophobicContact CD2-CG 4.17Å; Y263-Y318 AromaticContact CE2-CD1 3.37Å; Y263-Y318 HydrophobicContact CE2-CD1 3.37Å; Y263-Y318 HydrophobicContact CE2-CD2 4.07Å; Y263-Y318 AromaticContact CE2-CE1 3.64Å; Y263-Y318 HydrophobicContact CE2-CE1 3.64Å; Y263-Y318 HydrophobicContact CE2-CE2 4.29Å; Y263-Y318 AromaticContact CE2-CG 3.6Å; Y263-Y318 HydrophobicContact CE2-CG 3.6Å; Y263-Y318 AromaticContact CZ-CD1 3.92Å; Y263-Y318 AromaticContact CZ-CE1 3.78Å; Y263-Y318 WeakPolarHBondContact OH-CE1 3.36Å
264	D	98.5	Very high	97.1	Very high	26 Å²	26	43.4 Å²	43.4	14%	0.139	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.6	-178.5	-74.2	-20	0	0	0	113.1	R224 Y266 L267	R224-D264 PolarHBondContact NH2-O 3.36Å; D264-Y266 HydrophobicContact CB-CE1 4.09Å; D264-Y266 VanDerWaalsContact CG-OH 3.32Å; D264-Y266 PolarHBondContact O-N 3.04Å; D264-Y266 WeakPolarHBondContact OD1-CE1 3.43Å; D264-Y266 PolarHBondContact OD1-OH 3.45Å; D264-L267 HydrophobicContact CB-CD1 3.71Å; D264-L267 HydrophobicContact CB-CG 4Å; D264-L267 WeakPolarHBondContact O-CB 3.3Å; D264-L267 WeakPolarHBondContact O-CG 3.24Å; D264-L267 PolarHBondContact O-N 3.09Å
265	S	98.5	Very high	97.4	Very high	4 Å²	4	46 Å²	46	3%	0.028	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.9	-25.7	-179.2	56.3	0	0	0	0	113.3	Y263 L267 L268 W273 L297	Y263-S265 PolarHBondContact O-N 3.43Å; Y263-S265 VanDerWaalsContact O-N 3.13Å; S265-L267 PolarHBondContact O-N 3.45Å; S265-L268 PolarHBondContact O-N 3.02Å; S265-W273 PolarHBondContact O-NE1 3.25Å; S265-L297 PolarHBondContact OG-N 2.89Å
266	Y	98.1	Very high	97.6	Very high	93 Å²	93	41 Å²	41	37%	0.365	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-68.7	-10	177	60.8	-94.2	0	0	0	114.3	D264 L268 L297 V299 H303	D264-Y266 HydrophobicContact CB-CE1 4.09Å; D264-Y266 VanDerWaalsContact CG-OH 3.32Å; D264-Y266 PolarHBondContact O-N 3.04Å; D264-Y266 WeakPolarHBondContact OD1-CE1 3.43Å; D264-Y266 PolarHBondContact OD1-OH 3.45Å; Y266-L268 VanDerWaalsContact C-N 3.27Å; Y266-L297 HydrophobicContact CE1-CD2 4.09Å; Y266-V299 HydrophobicContact CD1-CG2 3.82Å; Y266-V299 HydrophobicContact CE1-CB 4.29Å; Y266-V299 HydrophobicContact CE1-CG2 3.32Å; Y266-H303 AromaticContact CG-CE1 3.86Å
267	L	97.7	Very high	97.7	Very high	117 Å²	117	35.1 Å²	35.1	61%	0.613	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-70.5	-23.8	173.4	-66.8	177.1	0	0	0	113	P220 D264 S265	P220-L267 HydrophobicContact CB-CD1 4.25Å; D264-L267 HydrophobicContact CB-CD1 3.71Å; D264-L267 HydrophobicContact CB-CG 4Å; D264-L267 WeakPolarHBondContact O-CB 3.3Å; D264-L267 WeakPolarHBondContact O-CG 3.24Å; D264-L267 PolarHBondContact O-N 3.09Å; S265-L267 PolarHBondContact O-N 3.45Å
268	L	96.6	Very high	97.6	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.073	18%	0.181	C	C	.	.	S	Bend	trans	-103.8	133.6	172.6	-172.4	71.1	0	0	0	108.7	D225 S265 Y266 Q272 W273	D225-L268 HydrophobicContact CB-CD1 4.48Å; S265-L268 PolarHBondContact O-N 3.02Å; Y266-L268 VanDerWaalsContact C-N 3.27Å; L268-Q272 HydrophobicContact CD1-CB 3.88Å; L268-Q272 HydrophobicContact CD1-CG 4.25Å; L268-Q272 VanDerWaalsContact CD1-OE1 3.26Å; L268-Q272 HydrophobicContact CD2-CB 4.04Å; L268-Q272 HydrophobicContact CG-CB 3.79Å; L268-W273 HydrophobicContact CB-CZ2 4.08Å; L268-W273 HydrophobicContact CD2-CD2 3.84Å; L268-W273 HydrophobicContact CD2-CE3 4.23Å; L268-W273 HydrophobicContact CD2-CG 4.28Å; L268-W273 HydrophobicContact CD2-CH2 4.22Å; L268-W273 HydrophobicContact CD2-CZ2 3.85Å; L268-W273 HydrophobicContact CD2-CZ3 4.4Å; L268-W273 PolarHBondContact O-NE1 3.42Å
269	N	96	Very high	97.1	Very high	81 Å²	81	42.8 Å²	42.8	43%	0.433	21%	0.205	S	C	.	.			trans	-70.1	160.3	-176	66.8	57.9	0	0	0	112.4	E271 Q272 W273	N269-E271 VanDerWaalsContact C-N 3.3Å; N269-E271 PolarHBondContact O-N 2.91Å; N269-E271 PolarHBondContact OD1-N 3.43Å; N269-Q272 PolarHBondContact ND2-OE1 2.72Å; N269-Q272 PolarHBondContact O-N 2.91Å; N269-Q272 WeakPolarHBondContact OD1-CG 3.29Å; N269-Q272 PolarHBondContact OD1-N 2.81Å; N269-W273 PolarHBondContact O-N 2.67Å
270	S	96.8	Very high	96.1	Very high	21 Å²	21	47.8 Å²	47.8	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-28.7	-175.5	54.6	0	0	0	0	113.9	A274 D306 A310	S270-A274 VanDerWaalsContact O-CB 3.27Å; S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 3.14Å; S270-D306 WeakPolarHBondContact CB-O 3.46Å; S270-A310 WeakPolarHBondContact O-CA 3.38Å
271	E	95.3	Very high	94.9	Very high	150 Å²	150	53.6 Å²	53.6	70%	0.701	26%	0.261	S	S	*	.	H	α-helix	trans	-68.3	-40.8	176.4	-64.7	-175.8	177.3	0	0	112.1	N269 A274 K275	N269-E271 VanDerWaalsContact C-N 3.3Å; N269-E271 PolarHBondContact O-N 2.91Å; N269-E271 PolarHBondContact OD1-N 3.43Å; E271-A274 PolarHBondContact O-N 3.2Å; E271-K275 PolarHBondContact O-N 3.1Å
272	Q	95.4	Very high	93.8	Very high	52 Å²	52	60 Å²	60	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-46.5	175.1	-74.7	-177.4	-88	0	0	111	E226 L268 N269 A274 K275	E226-Q272 WeakPolarHBondContact CB-O 3.41Å; E226-Q272 WeakPolarHBondContact OE2-CG 3.5Å; E226-Q272 PolarHBondContact OE2-NE2 2.9Å; L268-Q272 HydrophobicContact CD1-CB 3.88Å; L268-Q272 HydrophobicContact CD1-CG 4.25Å; L268-Q272 VanDerWaalsContact CD1-OE1 3.26Å; L268-Q272 HydrophobicContact CD2-CB 4.04Å; L268-Q272 HydrophobicContact CG-CB 3.79Å; N269-Q272 PolarHBondContact ND2-OE1 2.72Å; N269-Q272 PolarHBondContact O-N 2.91Å; N269-Q272 WeakPolarHBondContact OD1-CG 3.29Å; N269-Q272 PolarHBondContact OD1-N 2.81Å; Q272-A274 VanDerWaalsContact C-N 3.29Å; Q272-A274 PolarHBondContact O-N 3.29Å; Q272-K275 WeakPolarHBondContact O-CB 3.38Å; Q272-K275 PolarHBondContact O-N 3.36Å; Q272-K275 VanDerWaalsContact O-N 3.16Å
273	W	97.9	Very high	93.2	Very high	3 Å²	3	63 Å²	63	1%	0.011	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-41.1	173.3	-76.8	121.7	0	0	0	112.7	M229 V262 S265 L268 N269 K275 L276 L277 A310 F312	M229-W273 HydrophobicContact CB-CZ3 4.36Å; M229-W273 HydrophobicContact CE-CH2 3.88Å; M229-W273 HydrophobicContact CE-CZ3 4.07Å; M229-W273 HydrophobicContact CG-CH2 3.81Å; M229-W273 HydrophobicContact CG-CZ3 3.95Å; M229-W273 HydrophobicContact SD-CH2 4.16Å; V262-W273 HydrophobicContact CG1-CH2 3.75Å; V262-W273 HydrophobicContact CG1-CZ2 3.82Å; S265-W273 PolarHBondContact O-NE1 3.25Å; L268-W273 HydrophobicContact CB-CZ2 4.08Å; L268-W273 HydrophobicContact CD2-CD2 3.84Å; L268-W273 HydrophobicContact CD2-CE3 4.23Å; L268-W273 HydrophobicContact CD2-CG 4.28Å; L268-W273 HydrophobicContact CD2-CH2 4.22Å; L268-W273 HydrophobicContact CD2-CZ2 3.85Å; L268-W273 HydrophobicContact CD2-CZ3 4.4Å; L268-W273 PolarHBondContact O-NE1 3.42Å; N269-W273 PolarHBondContact O-N 2.67Å; W273-K275 PolarHBondContact O-N 3.46Å; W273-L276 HydrophobicContact CE3-CD2 4.21Å; W273-L276 HydrophobicContact CZ3-CD2 3.98Å; W273-L276 WeakPolarHBondContact O-CA 3.44Å; W273-L276 WeakPolarHBondContact O-CB 3.18Å; W273-L276 PolarHBondContact O-N 2.93Å; W273-L277 HydrophobicContact CB-CD1 4.46Å; W273-L277 HydrophobicContact CE3-CD1 3.94Å; W273-L277 HydrophobicContact CE3-CG 4.38Å; W273-L277 PolarHBondContact O-N 3.05Å; W273-A310 CarbonylContact C-O 3.42Å; W273-A310 HydrophobicContact CB-CB 3.43Å; W273-A310 VanDerWaalsContact CB-CB 3.43Å; W273-A310 HydrophobicContact CG-CB 4.09Å; W273-F312 HydrophobicContact CB-CE2 4.31Å; W273-F312 AromaticContact CD1-CE2 3.79Å; W273-F312 HydrophobicContact CD2-CE1 4.49Å; W273-F312 HydrophobicContact CD2-CE2 4.01Å; W273-F312 AromaticContact CD2-CZ 3.57Å; W273-F312 HydrophobicContact CD2-CZ 3.57Å; W273-F312 AromaticContact CE2-CZ 3.57Å; W273-F312 HydrophobicContact CE3-CZ 4.03Å; W273-F312 AromaticContact CG-CE2 3.79Å; W273-F312 HydrophobicContact CG-CE2 3.79Å; W273-F312 AromaticContact CG-CZ 3.88Å; W273-F312 HydrophobicContact CG-CZ 3.88Å; W273-F312 HydrophobicContact CZ2-CZ 4.08Å; W273-F312 HydrophobicContact CZ3-CZ 4.48Å; W273-F312 AromaticContact NE1-CE2 3.97Å; W273-F312 AromaticContact NE1-CZ 3.77Å
274	A	97.3	Very high	93	Very high	17 Å²	17	62 Å²	62	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-28.5	179.4	0	0	0	0	0	113.3	S270 E271 Q272 L276 K278 A310	S270-A274 VanDerWaalsContact O-CB 3.27Å; S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 3.14Å; E271-A274 PolarHBondContact O-N 3.2Å; Q272-A274 VanDerWaalsContact C-N 3.29Å; Q272-A274 PolarHBondContact O-N 3.29Å; A274-L276 PolarHBondContact O-N 2.99Å; A274-K278 HydrophobicContact CB-CD 4.09Å; A274-K278 HydrophobicContact CB-CG 4.23Å; A274-K278 WeakPolarHBondContact O-CB 3.16Å; A274-K278 PolarHBondContact O-N 3.29Å; A274-A310 VanDerWaalsContact CA-O 3.29Å; A274-A310 WeakPolarHBondContact CA-O 3.07Å; A274-A310 PolarHBondContact N-O 2.86Å
275	K	96.3	Very high	92.9	Very high	83 Å²	83	60.7 Å²	60.7	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-29.9	173.1	-64	173.8	-166.7	172	0	112.8	E226 E271 Q272 W273 S283	E226-K275 HydrophobicContact CG-CB 4.35Å; E226-K275 HydrophobicContact CG-CD 4.14Å; E226-K275 VanDerWaalsContact OE1-CD 3.29Å; E226-K275 WeakPolarHBondContact OE1-CD 3.42Å; E226-K275 IonicContact OE1-NZ 3.67Å; E226-K275 PolarHBondContact OE1-NZ 3.43Å; E271-K275 PolarHBondContact O-N 3.1Å; Q272-K275 WeakPolarHBondContact O-CB 3.38Å; Q272-K275 PolarHBondContact O-N 3.36Å; Q272-K275 VanDerWaalsContact O-N 3.16Å; W273-K275 PolarHBondContact O-N 3.46Å; K275-S283 CarbonylContact O-C 3.43Å; K275-S283 PolarHBondContact O-OG 3.14Å
276	L	97.5	Very high	92.8	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-90.5	-44.4	179.6	-179	63.5	0	0	0	112	E226 M229 F230 W273 A274 S284 I285	E226-L276 HydrophobicContact CB-CB 4.26Å; M229-L276 HydrophobicContact CB-CD2 3.72Å; F230-L276 HydrophobicContact CB-CD1 3.73Å; F230-L276 HydrophobicContact CD2-CD1 3.82Å; F230-L276 HydrophobicContact CG-CD1 4.28Å; W273-L276 HydrophobicContact CE3-CD2 4.21Å; W273-L276 HydrophobicContact CZ3-CD2 3.98Å; W273-L276 WeakPolarHBondContact O-CA 3.44Å; W273-L276 WeakPolarHBondContact O-CB 3.18Å; W273-L276 PolarHBondContact O-N 2.93Å; A274-L276 PolarHBondContact O-N 2.99Å; L276-S284 WeakPolarHBondContact O-CA 3.38Å; L276-S284 PolarHBondContact O-OG 2.81Å; L276-S284 VanDerWaalsContact O-OG 3.12Å; L276-I285 HydrophobicContact CD1-CB 3.88Å; L276-I285 HydrophobicContact CD1-CG2 4.29Å; L276-I285 HydrophobicContact CG-CG2 4.4Å; L276-I285 WeakPolarHBondContact O-CG2 3.39Å; L276-I285 PolarHBondContact O-N 2.99Å
277	L	98	Very high	92.6	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-104.8	-6.4	-163.4	-57.8	178.5	0	0	0	114.7	W273 I285 R286 F294 A310 G311 F312	W273-L277 HydrophobicContact CB-CD1 4.46Å; W273-L277 HydrophobicContact CE3-CD1 3.94Å; W273-L277 HydrophobicContact CE3-CG 4.38Å; W273-L277 PolarHBondContact O-N 3.05Å; L277-I285 HydrophobicContact CD2-CG2 4.25Å; L277-R286 VanDerWaalsContact O-CG 3.3Å; L277-R286 WeakPolarHBondContact O-CG 3.06Å; L277-R286 PolarHBondContact O-NE 3.31Å; L277-F294 HydrophobicContact CD1-CB 4.25Å; L277-F294 HydrophobicContact CD1-CG 4.49Å; L277-F294 HydrophobicContact CD2-CB 4.17Å; L277-F294 HydrophobicContact CD2-CD1 4.05Å; L277-F294 HydrophobicContact CD2-CD2 3.38Å; L277-F294 HydrophobicContact CD2-CE1 4.31Å; L277-F294 HydrophobicContact CD2-CE2 3.68Å; L277-F294 HydrophobicContact CD2-CG 3.58Å; L277-F294 HydrophobicContact CD2-CZ 4.14Å; L277-A310 WeakPolarHBondContact CB-O 3.36Å; L277-G311 WeakPolarHBondContact CB-O 3.47Å; L277-F312 HydrophobicContact CD1-CD1 3.76Å; L277-F312 HydrophobicContact CD1-CD2 4.28Å; L277-F312 HydrophobicContact CD1-CE1 3.81Å; L277-F312 HydrophobicContact CD1-CE2 4.32Å; L277-F312 HydrophobicContact CD1-CG 4Å; L277-F312 HydrophobicContact CD1-CZ 4.1Å
278	K	95.8	Very high	92.5	Very high	73 Å²	73	58.9 Å²	58.9	32%	0.317	32%	0.315	S	S	.	.	S	Bend	trans	-99.4	145.2	173.7	-69.2	-165.8	164.3	170.6	0	112.2	A274 T280 S284 T309	A274-K278 HydrophobicContact CB-CD 4.09Å; A274-K278 HydrophobicContact CB-CG 4.23Å; A274-K278 WeakPolarHBondContact O-CB 3.16Å; A274-K278 PolarHBondContact O-N 3.29Å; K278-T280 PolarHBondContact O-N 3.41Å; K278-S284 WeakPolarHBondContact O-CB 3.3Å; K278-S284 PolarHBondContact O-OG 3.17Å; K278-T309 WeakPolarHBondContact CE-O 3.24Å; K278-T309 PolarHBondContact NZ-O 2.92Å
279	H	88.8	Confident	92.5	Very high	123 Å²	123	63.5 Å²	63.5	57%	0.569	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	3.7	178.2	-63.5	-98	0	0	0	114.8	R286 D287	H279-R286 WeakPolarHBondContact ND1-CB 3.5Å; H279-D287 IonicContact CE1-OD1 2.73Å; H279-D287 IonicContact CE1-OD2 3.53Å; H279-D287 PolarHBondContact CE1-OD2 2.69Å; H279-D287 IonicContact CG-OD2 2.72Å; H279-D287 IonicContact ND1-OD1 2.76Å; H279-D287 IonicContact ND1-OD2 3.07Å; H279-D287 PolarHBondContact ND1-OD2 3.49Å
280	T	77.3	Confident	92.6	Very high	109 Å²	109	62 Å²	62	67%	0.669	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	4.8	-166.9	57.5	0	0	0	0	114.4	K278	K278-T280 PolarHBondContact O-N 3.41Å
281	K	73.8	Confident	92.6	Very high	121 Å²	121	61.6 Å²	61.6	53%	0.526	33%	0.332	S	S	.	.	S	Bend	trans	-132	144.8	-174.6	-61.9	-65.9	-178.5	-179.4	0	111.2	S283 S284	K281-S283 PolarHBondContact O-N 3.11Å; K281-S284 WeakPolarHBondContact O-CB 3.41Å; K281-S284 PolarHBondContact O-N 3.43Å; K281-S284 VanDerWaalsContact O-N 3.13Å
282	S	76.7	Confident	92.7	Very high	136 Å²	136	54.5 Å²	54.5	95%	0.951	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.7	178.5	52.3	0	0	0	0	114.1	S284	S282-S284 VanDerWaalsContact C-N 3.3Å
283	S	85.4	Confident	92.9	Very high	63 Å²	63	52.3 Å²	52.3	44%	0.441	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	3.4	175.1	58	0	0	0	0	113.7	K275 K281	K275-S283 CarbonylContact O-C 3.43Å; K275-S283 PolarHBondContact O-OG 3.14Å; K281-S283 PolarHBondContact O-N 3.11Å
284	S	95.1	Very high	93	Very high	11 Å²	11	52.2 Å²	52.2	8%	0.077	29%	0.288	C	S	.	.			trans	-68.4	147.4	-176.1	-170.7	0	0	0	0	111.4	L276 K278 K281 S282 R286	L276-S284 WeakPolarHBondContact O-CA 3.38Å; L276-S284 PolarHBondContact O-OG 2.81Å; L276-S284 VanDerWaalsContact O-OG 3.12Å; K278-S284 WeakPolarHBondContact O-CB 3.3Å; K278-S284 PolarHBondContact O-OG 3.17Å; K281-S284 WeakPolarHBondContact O-CB 3.41Å; K281-S284 PolarHBondContact O-N 3.43Å; K281-S284 VanDerWaalsContact O-N 3.13Å; S282-S284 VanDerWaalsContact C-N 3.3Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 WeakPolarHBondContact OG-CB 3.47Å; S284-R286 WeakPolarHBondContact OG-CG 3.32Å; S284-R286 PolarHBondContact OG-N 2.86Å
285	I	96.9	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.			trans	-82.2	-17.7	170.6	-153.3	168.2	0	0	0	112.4	F230 V233 L276 L277 T288 Y290 F294	F230-I285 HydrophobicContact CD2-CB 4.1Å; F230-I285 HydrophobicContact CD2-CD1 4.3Å; F230-I285 HydrophobicContact CD2-CG1 4.05Å; F230-I285 HydrophobicContact CE2-CB 4.25Å; F230-I285 HydrophobicContact CE2-CG1 4.01Å; V233-I285 HydrophobicContact CB-CD1 3.79Å; V233-I285 HydrophobicContact CG1-CD1 3.4Å; V233-I285 VanDerWaalsContact CG1-CD1 3.4Å; V233-I285 HydrophobicContact CG2-CD1 4.37Å; L276-I285 HydrophobicContact CD1-CB 3.88Å; L276-I285 HydrophobicContact CD1-CG2 4.29Å; L276-I285 HydrophobicContact CG-CG2 4.4Å; L276-I285 WeakPolarHBondContact O-CG2 3.39Å; L276-I285 PolarHBondContact O-N 2.99Å; L277-I285 HydrophobicContact CD2-CG2 4.25Å; I285-T288 WeakPolarHBondContact O-CB 3.34Å; I285-T288 WeakPolarHBondContact O-CG2 3.42Å; I285-T288 PolarHBondContact O-N 3.45Å; I285-T288 PolarHBondContact O-OG1 3.42Å; I285-Y290 WeakPolarHBondContact CD1-O 3.44Å; I285-Y290 VanDerWaalsContact CG1-O 3.25Å; I285-Y290 WeakPolarHBondContact CG1-O 3.44Å; I285-F294 HydrophobicContact CD1-CZ 4.1Å; I285-F294 HydrophobicContact CG2-CE2 3.88Å; I285-F294 HydrophobicContact CG2-CZ 4.17Å
286	R	96.6	Very high	93.2	Very high	18 Å²	18	47.4 Å²	47.4	7%	0.068	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	142	-178.4	-59	-54.9	-173.1	-178.2	0.9	111.7	L277 H279 S284 T288 D291 G292 G311 D313	L277-R286 VanDerWaalsContact O-CG 3.3Å; L277-R286 WeakPolarHBondContact O-CG 3.06Å; L277-R286 PolarHBondContact O-NE 3.31Å; H279-R286 WeakPolarHBondContact ND1-CB 3.5Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 WeakPolarHBondContact OG-CB 3.47Å; S284-R286 WeakPolarHBondContact OG-CG 3.32Å; S284-R286 PolarHBondContact OG-N 2.86Å; R286-T288 PolarHBondContact O-N 3.16Å; R286-D291 WeakPolarHBondContact CD-OD1 3.37Å; R286-D291 IonicContact CZ-OD1 2.86Å; R286-D291 IonicContact NE-OD1 2.69Å; R286-D291 IonicContact NH1-OD1 3.99Å; R286-D291 PolarHBondContact NH1-OD1 3.1Å; R286-G292 PolarHBondContact NH1-O 3.27Å; R286-G311 PolarHBondContact NH2-O 3.24Å; R286-D313 IonicContact CZ-OD1 3.14Å; R286-D313 IonicContact CZ-OD2 3.44Å; R286-D313 IonicContact NH1-OD1 2.96Å; R286-D313 PolarHBondContact NH1-OD1 2.93Å; R286-D313 IonicContact NH1-OD2 3.82Å; R286-D313 PolarHBondContact NH1-OD2 2.74Å; R286-D313 IonicContact NH2-OD1 3.43Å; R286-D313 PolarHBondContact NH2-OD1 2.92Å; R286-D313 IonicContact NH2-OD2 3.94Å; R286-D313 PolarHBondContact NH2-OD2 3.14Å
287	D	93.1	Very high	93.2	Very high	111 Å²	111	47.4 Å²	47.4	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.3	-178.2	-53.1	-53	0	0	0	114.1	H279 D291	H279-D287 IonicContact CE1-OD1 2.73Å; H279-D287 IonicContact CE1-OD2 3.53Å; H279-D287 PolarHBondContact CE1-OD2 2.69Å; H279-D287 IonicContact CG-OD2 2.72Å; H279-D287 IonicContact ND1-OD1 2.76Å; H279-D287 IonicContact ND1-OD2 3.07Å; H279-D287 PolarHBondContact ND1-OD2 3.49Å; D287-D291 PolarHBondContact N-OD2 3.14Å; D287-D291 VanDerWaalsContact N-OD2 3.1Å
288	T	95.6	Very high	93.3	Very high	46 Å²	46	47.3 Å²	47.3	28%	0.282	26%	0.263	S	S	.	.	S	Bend	trans	-108.9	168.1	170.6	79.5	0	0	0	0	110.4	I285 R286 Y290 D291	I285-T288 WeakPolarHBondContact O-CB 3.34Å; I285-T288 WeakPolarHBondContact O-CG2 3.42Å; I285-T288 PolarHBondContact O-N 3.45Å; I285-T288 PolarHBondContact O-OG1 3.42Å; R286-T288 PolarHBondContact O-N 3.16Å; T288-Y290 PolarHBondContact O-N 3.42Å; T288-Y290 PolarHBondContact OG1-N 3.11Å; T288-Y290 VanDerWaalsContact OG1-N 3.13Å; T288-D291 WeakPolarHBondContact O-CB 3.38Å; T288-D291 PolarHBondContact O-N 3.41Å; T288-D291 VanDerWaalsContact O-N 3.13Å
289	P	96.8	Very high	93.4	Very high	112 Å²	112	44.9 Å²	44.9	73%	0.727	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.3	170.8	-25.4	36.1	0	0	0	114.7
290	Y	97.7	Very high	93.9	Very high	48 Å²	48	43.3 Å²	43.3	19%	0.188	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	7.2	-178.7	-45	-60.7	0	0	0	113.2	F230 K234 I237 E238 I285 T288	F230-Y290 HydrophobicContact CZ-CD2 4.04Å; K234-Y290 HydrophobicContact CB-CD1 4.15Å; K234-Y290 HydrophobicContact CB-CD2 4.39Å; K234-Y290 HydrophobicContact CB-CE1 4.36Å; K234-Y290 HydrophobicContact CB-CG 4.18Å; K234-Y290 HydrophobicContact CD-CD2 4.47Å; K234-Y290 HydrophobicContact CD-CE1 4.34Å; K234-Y290 HydrophobicContact CD-CE2 3.92Å; K234-Y290 WeakPolarHBondContact CE-OH 3.34Å; K234-Y290 HydrophobicContact CG-CD1 4.01Å; K234-Y290 HydrophobicContact CG-CD2 4.36Å; K234-Y290 HydrophobicContact CG-CE1 3.71Å; K234-Y290 HydrophobicContact CG-CE2 4.08Å; K234-Y290 HydrophobicContact CG-CG 4.34Å; I237-Y290 HydrophobicContact CB-CD1 4.33Å; I237-Y290 WeakPolarHBondContact CD1-O 3.46Å; I237-Y290 HydrophobicContact CG2-CD1 4.21Å; E238-Y290 HydrophobicContact CG-CE1 3.86Å; E238-Y290 PolarHBondContact OE1-OH 3.1Å; E238-Y290 VanDerWaalsContact OE1-OH 3.11Å; I285-Y290 WeakPolarHBondContact CD1-O 3.44Å; I285-Y290 VanDerWaalsContact CG1-O 3.25Å; I285-Y290 WeakPolarHBondContact CG1-O 3.44Å; T288-Y290 PolarHBondContact O-N 3.42Å; T288-Y290 PolarHBondContact OG1-N 3.11Å; T288-Y290 VanDerWaalsContact OG1-N 3.13Å
291	D	97.7	Very high	94.9	Very high	14 Å²	14	43.2 Å²	43.2	8%	0.075	24%	0.239	C	C	.	.			trans	-58	151.9	177.2	-159.2	-1.4	0	0	0	111.2	L257 P258 R286 D287 T288	L257-D291 HydrophobicContact CD2-CB 4.35Å; P258-D291 WeakPolarHBondContact CD-O 3.38Å; R286-D291 WeakPolarHBondContact CD-OD1 3.37Å; R286-D291 IonicContact CZ-OD1 2.86Å; R286-D291 IonicContact NE-OD1 2.69Å; R286-D291 IonicContact NH1-OD1 3.99Å; R286-D291 PolarHBondContact NH1-OD1 3.1Å; D287-D291 PolarHBondContact N-OD2 3.14Å; D287-D291 VanDerWaalsContact N-OD2 3.1Å; T288-D291 WeakPolarHBondContact O-CB 3.38Å; T288-D291 PolarHBondContact O-N 3.41Å; T288-D291 VanDerWaalsContact O-N 3.13Å
292	G	98.1	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.			trans	-162.6	170.4	-169.1	0	0	0	0	0	112.4	P258 R286 F294	P258-G292 CarbonylContact O-C 3.57Å; P258-G292 WeakPolarHBondContact O-CA 3.45Å; R286-G292 PolarHBondContact NH1-O 3.27Å; G292-F294 WeakPolarHBondContact O-CD2 3.46Å
293	I	98.7	Very high	97	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.7	173.2	-67	159.3	0	0	0	107.2	H249 T251 L257 P258 L259 F260 I295 D313 L346	H249-I293 HydrophobicContact CB-CD1 3.71Å; T251-I293 HydrophobicContact CG2-CD1 3.93Å; T251-I293 HydrophobicContact CG2-CG1 4.34Å; L257-I293 HydrophobicContact CB-CD1 4Å; L257-I293 HydrophobicContact CB-CG1 4Å; L257-I293 HydrophobicContact CD1-CG1 4.34Å; P258-I293 PolarHBondContact O-N 3.36Å; L259-I293 CarbonylContact C-O 3.53Å; L259-I293 WeakPolarHBondContact CA-O 3.49Å; L259-I293 HydrophobicContact CB-CB 4.34Å; L259-I293 HydrophobicContact CD1-CB 4.5Å; L259-I293 HydrophobicContact CD1-CG2 3.95Å; L259-I293 HydrophobicContact CG-CB 4.27Å; L259-I293 HydrophobicContact CG-CG2 4.05Å; F260-I293 PolarHBondContact N-O 3.13Å; I293-I295 HydrophobicContact CG2-CD1 3.63Å; I293-I295 HydrophobicContact CG2-CG1 4.36Å; I293-D313 WeakPolarHBondContact CA-OD2 3.31Å; I293-D313 HydrophobicContact CB-CB 4.48Å; I293-D313 HydrophobicContact CG2-CB 3.83Å; I293-L346 HydrophobicContact CG2-CD1 3.85Å
294	F	98.9	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.4	-176.8	-64.6	-91.3	0	0	0	110.4	V233 F260 V262 L277 I285 G292 F312 D313 G314	V233-F294 HydrophobicContact CG1-CZ 4.27Å; V233-F294 HydrophobicContact CG2-CE1 3.76Å; V233-F294 HydrophobicContact CG2-CZ 4.03Å; F260-F294 HydrophobicContact CB-CD1 4.08Å; F260-F294 HydrophobicContact CB-CE1 4.23Å; F260-F294 HydrophobicContact CD2-CD1 4.35Å; F260-F294 AromaticContact CD2-CE1 3.84Å; F260-F294 HydrophobicContact CD2-CE1 3.84Å; F260-F294 HydrophobicContact CD2-CZ 4.03Å; F260-F294 HydrophobicContact CE2-CZ 4.46Å; F260-F294 HydrophobicContact CG-CE1 4.25Å; V262-F294 HydrophobicContact CG2-CD1 4.42Å; L277-F294 HydrophobicContact CD1-CB 4.25Å; L277-F294 HydrophobicContact CD1-CG 4.49Å; L277-F294 HydrophobicContact CD2-CB 4.17Å; L277-F294 HydrophobicContact CD2-CD1 4.05Å; L277-F294 HydrophobicContact CD2-CD2 3.38Å; L277-F294 HydrophobicContact CD2-CE1 4.31Å; L277-F294 HydrophobicContact CD2-CE2 3.68Å; L277-F294 HydrophobicContact CD2-CG 3.58Å; L277-F294 HydrophobicContact CD2-CZ 4.14Å; I285-F294 HydrophobicContact CD1-CZ 4.1Å; I285-F294 HydrophobicContact CG2-CE2 3.88Å; I285-F294 HydrophobicContact CG2-CZ 4.17Å; G292-F294 WeakPolarHBondContact O-CD2 3.46Å; F294-F312 HydrophobicContact CB-CD1 3.77Å; F294-F312 HydrophobicContact CB-CE1 4.22Å; F294-D313 PolarHBondContact N-OD2 3.42Å; F294-D313 PolarHBondContact O-N 3.31Å; F294-G314 PolarHBondContact O-N 3.32Å
295	I	98.9	Very high	97.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.1	-176.2	-48.2	-61.5	0	0	0	109.5	L259 F260 Y261 V262 I293 V315 Y316 L346 I348	L259-I295 HydrophobicContact CD1-CD1 4.39Å; L259-I295 HydrophobicContact CD1-CG1 4.25Å; L259-I295 HydrophobicContact CD2-CG1 3.98Å; L259-I295 HydrophobicContact CG-CG1 4.06Å; F260-I295 PolarHBondContact O-N 3.27Å; Y261-I295 HydrophobicContact CD1-CB 3.92Å; Y261-I295 HydrophobicContact CD1-CG1 4.4Å; Y261-I295 HydrophobicContact CD1-CG2 3.97Å; Y261-I295 HydrophobicContact CE1-CB 4.23Å; Y261-I295 HydrophobicContact CE1-CG1 4.35Å; Y261-I295 HydrophobicContact CE1-CG2 4.05Å; V262-I295 PolarHBondContact N-O 3.07Å; I293-I295 HydrophobicContact CG2-CD1 3.63Å; I293-I295 HydrophobicContact CG2-CG1 4.36Å; I295-V315 VanDerWaalsContact CG2-C 3.48Å; I295-Y316 HydrophobicContact CG2-CD1 3.84Å; I295-Y316 HydrophobicContact CG2-CG 4.17Å; I295-L346 HydrophobicContact CD1-CB 4.34Å; I295-L346 HydrophobicContact CD1-CD1 4.1Å; I295-I348 HydrophobicContact CD1-CD1 3.86Å; I295-I348 HydrophobicContact CG1-CD1 3.91Å; I295-I348 HydrophobicContact CG2-CD1 4.09Å; I295-I348 HydrophobicContact CG2-CG1 4.5Å
296	A	98.9	Very high	97.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145	-178.3	0	0	0	0	0	113	L298 I307 F312 G314 V315 Y316	A296-L298 PolarHBondContact O-N 3.31Å; A296-I307 HydrophobicContact CB-CD1 3.98Å; A296-I307 HydrophobicContact CB-CG1 3.79Å; A296-I307 HydrophobicContact CB-CG2 4.21Å; A296-F312 HydrophobicContact CB-CB 4.16Å; A296-F312 HydrophobicContact CB-CD1 3.71Å; A296-F312 HydrophobicContact CB-CD2 3.71Å; A296-F312 HydrophobicContact CB-CE1 3.94Å; A296-F312 HydrophobicContact CB-CE2 3.94Å; A296-F312 HydrophobicContact CB-CG 3.6Å; A296-F312 HydrophobicContact CB-CZ 4.05Å; A296-G314 PolarHBondContact N-O 3.43Å; A296-V315 CarbonylContact O-C 3.57Å; A296-V315 VanDerWaalsContact O-CA 3.28Å; A296-V315 WeakPolarHBondContact O-CA 3.36Å; A296-Y316 VanDerWaalsContact O-CD1 3.29Å; A296-Y316 WeakPolarHBondContact O-CD1 3.41Å; A296-Y316 PolarHBondContact O-N 3.47Å
297	L	98.9	Very high	97.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.9	172.5	-179	60.5	0	0	0	110.8	Y263 S265 Y266 V299 Y316 F319	Y263-L297 HydrophobicContact CD2-CD2 3.69Å; Y263-L297 HydrophobicContact CE2-CD2 3.61Å; S265-L297 PolarHBondContact OG-N 2.89Å; Y266-L297 HydrophobicContact CE1-CD2 4.09Å; L297-V299 HydrophobicContact CD2-CG2 3.95Å; L297-V299 HydrophobicContact CG-CG2 3.83Å; L297-Y316 HydrophobicContact CB-CD1 4.27Å; L297-Y316 HydrophobicContact CB-CE1 3.6Å; L297-Y316 HydrophobicContact CD1-CD1 4.38Å; L297-Y316 HydrophobicContact CD1-CE1 4.08Å; L297-Y316 HydrophobicContact CD1-CE2 4.31Å; L297-Y316 HydrophobicContact CG-CE1 4.42Å; L297-F319 HydrophobicContact CD2-CZ 4.43Å
298	L	98.9	Very high	98.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.			trans	-94.5	108.4	174.3	-180	62.1	0	0	0	110.5	A296 E300 H303 K304 I307 V315 Y316 Y326 G327 I336	A296-L298 PolarHBondContact O-N 3.31Å; L298-E300 VanDerWaalsContact CD1-O 3.29Å; L298-E300 WeakPolarHBondContact CD1-O 3.42Å; L298-H303 HydrophobicContact CD1-CB 3.97Å; L298-K304 HydrophobicContact CD1-CG 3.97Å; L298-K304 HydrophobicContact CD2-CG 4.3Å; L298-I307 HydrophobicContact CB-CD1 4.34Å; L298-I307 HydrophobicContact CD1-CD1 4.07Å; L298-V315 HydrophobicContact CB-CB 4.34Å; L298-Y316 PolarHBondContact N-O 2.88Å; L298-Y326 HydrophobicContact CD2-CE1 4.49Å; L298-G327 WeakPolarHBondContact O-CA 3.27Å; L298-I336 HydrophobicContact CD2-CD1 3.85Å; L298-I336 HydrophobicContact CD2-CG1 3.87Å; L298-I336 HydrophobicContact CD2-CG2 3.85Å
299	V	98.6	Very high	98.2	Very high	23 Å²	23	45.2 Å²	45.2	14%	0.139	22%	0.221	C	C	.	.			trans	-103	-56.5	178	-176.4	0	0	0	0	111.7	Y266 L297 F319 S325 Y326 G327	Y266-V299 HydrophobicContact CD1-CG2 3.82Å; Y266-V299 HydrophobicContact CE1-CB 4.29Å; Y266-V299 HydrophobicContact CE1-CG2 3.32Å; L297-V299 HydrophobicContact CD2-CG2 3.95Å; L297-V299 HydrophobicContact CG-CG2 3.83Å; V299-F319 HydrophobicContact CG1-CE2 4.48Å; V299-F319 HydrophobicContact CG2-CE2 4.03Å; V299-S325 WeakPolarHBondContact O-CB 3.29Å; V299-Y326 WeakPolarHBondContact O-CA 3.14Å; V299-Y326 VanDerWaalsContact O-CB 3.26Å; V299-Y326 WeakPolarHBondContact O-CB 3.45Å; V299-Y326 PolarHBondContact O-N 3.14Å; V299-G327 PolarHBondContact O-N 3.31Å
300	E	98.6	Very high	98.2	Very high	89 Å²	89	39.9 Å²	39.9	42%	0.416	19%	0.187	S	C	.	.	S	Bend	trans	-107.3	151.5	178.3	-63.7	-174.4	-138.6	0	0	111	L298 K302 H303	L298-E300 VanDerWaalsContact CD1-O 3.29Å; L298-E300 WeakPolarHBondContact CD1-O 3.42Å; E300-K302 HydrophobicContact CB-CG 4.06Å; E300-K302 PolarHBondContact O-N 3.37Å; E300-K302 IonicContact OE1-NZ 3.81Å; E300-K302 PolarHBondContact OE1-NZ 3.38Å; E300-K302 VanDerWaalsContact OE2-CD 3.29Å; E300-K302 WeakPolarHBondContact OE2-CD 3.26Å; E300-K302 WeakPolarHBondContact OE2-CE 3.31Å; E300-K302 IonicContact OE2-NZ 2.7Å; E300-K302 PolarHBondContact OE2-NZ 2.81Å; E300-H303 PolarHBondContact N-ND1 3.42Å; E300-H303 WeakPolarHBondContact O-CB 3.45Å; E300-H303 PolarHBondContact O-N 3.39Å
301	E	98.3	Very high	98.3	Very high	107 Å²	107	38.3 Å²	38.3	50%	0.5	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.8	178.4	-174.2	165.8	-147.7	0	0	112.8	H303 K304 Y326	E301-H303 PolarHBondContact O-N 2.83Å; E301-K304 HydrophobicContact CG-CD 4.47Å; E301-K304 WeakPolarHBondContact O-CB 3.43Å; E301-K304 WeakPolarHBondContact O-CG 3.45Å; E301-K304 PolarHBondContact O-N 3.42Å; E301-K304 VanDerWaalsContact O-N 3.14Å; E301-Y326 HydrophobicContact CB-CD1 4.05Å; E301-Y326 HydrophobicContact CB-CD2 3.71Å; E301-Y326 HydrophobicContact CB-CE1 4.05Å; E301-Y326 HydrophobicContact CB-CE2 3.66Å; E301-Y326 HydrophobicContact CB-CG 3.89Å; E301-Y326 HydrophobicContact CG-CD2 4.38Å; E301-Y326 HydrophobicContact CG-CE1 4.17Å; E301-Y326 HydrophobicContact CG-CE2 3.81Å; E301-Y326 PolarHBondContact OE1-OH 2.94Å; E301-Y326 VanDerWaalsContact OE1-OH 3.08Å
302	K	96.8	Very high	98.3	Very high	119 Å²	119	38.1 Å²	38.1	52%	0.517	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.4	179.9	75.2	-171	-173.1	-149.4	0	112.8	E300 K304 R305	E300-K302 HydrophobicContact CB-CG 4.06Å; E300-K302 PolarHBondContact O-N 3.37Å; E300-K302 IonicContact OE1-NZ 3.81Å; E300-K302 PolarHBondContact OE1-NZ 3.38Å; E300-K302 VanDerWaalsContact OE2-CD 3.29Å; E300-K302 WeakPolarHBondContact OE2-CD 3.26Å; E300-K302 WeakPolarHBondContact OE2-CE 3.31Å; E300-K302 IonicContact OE2-NZ 2.7Å; E300-K302 PolarHBondContact OE2-NZ 2.81Å; K302-K304 PolarHBondContact O-N 3.36Å; K302-R305 PolarHBondContact O-N 3.01Å
303	H	98.4	Very high	98.3	Very high	16 Å²	16	40.1 Å²	40.1	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-19.3	-179.3	-57.1	164.8	0	0	0	112.5	Y266 L298 E300 E301 R305 D306 I307	Y266-H303 AromaticContact CG-CE1 3.86Å; L298-H303 HydrophobicContact CD1-CB 3.97Å; E300-H303 PolarHBondContact N-ND1 3.42Å; E300-H303 WeakPolarHBondContact O-CB 3.45Å; E300-H303 PolarHBondContact O-N 3.39Å; E301-H303 PolarHBondContact O-N 2.83Å; H303-R305 VanDerWaalsContact C-N 3.27Å; H303-R305 PolarHBondContact O-N 3.02Å; H303-D306 PolarHBondContact O-N 3.25Å; H303-D306 VanDerWaalsContact O-N 3.1Å; H303-I307 HydrophobicContact CB-CD1 4.47Å; H303-I307 VanDerWaalsContact O-CG1 3.24Å; H303-I307 WeakPolarHBondContact O-CG1 3.48Å; H303-I307 PolarHBondContact O-N 3.13Å
304	K	98.4	Very high	98.3	Very high	16 Å²	16	39.8 Å²	39.8	7%	0.07	19%	0.192	C	C	.	.	H	α-helix	trans	-51	-45.9	175.8	-73.5	-175.5	-175.7	-177.3	0	112.2	L298 E301 K302 I307 V308 Y326 F339	L298-K304 HydrophobicContact CD1-CG 3.97Å; L298-K304 HydrophobicContact CD2-CG 4.3Å; E301-K304 HydrophobicContact CG-CD 4.47Å; E301-K304 WeakPolarHBondContact O-CB 3.43Å; E301-K304 WeakPolarHBondContact O-CG 3.45Å; E301-K304 PolarHBondContact O-N 3.42Å; E301-K304 VanDerWaalsContact O-N 3.14Å; K302-K304 PolarHBondContact O-N 3.36Å; K304-I307 PolarHBondContact O-N 2.98Å; K304-V308 PolarHBondContact O-N 2.87Å; K304-Y326 WeakPolarHBondContact CE-OH 3.49Å; K304-Y326 PolarHBondContact NZ-OH 3.07Å; K304-F339 HydrophobicContact CB-CD1 4.33Å; K304-F339 HydrophobicContact CB-CD2 4.39Å; K304-F339 HydrophobicContact CB-CE1 3.81Å; K304-F339 HydrophobicContact CB-CE2 3.88Å; K304-F339 HydrophobicContact CB-CZ 3.56Å; K304-F339 HydrophobicContact CD-CB 4.35Å; K304-F339 HydrophobicContact CD-CD1 3.95Å; K304-F339 HydrophobicContact CD-CD2 4.05Å; K304-F339 HydrophobicContact CD-CE1 4.3Å; K304-F339 HydrophobicContact CD-CE2 4.38Å; K304-F339 HydrophobicContact CD-CG 3.82Å; K304-F339 HydrophobicContact CD-CZ 4.5Å; K304-F339 HydrophobicContact CG-CD1 4.03Å; K304-F339 HydrophobicContact CG-CE1 3.93Å; K304-F339 HydrophobicContact CG-CE2 4.49Å; K304-F339 HydrophobicContact CG-CG 4.36Å; K304-F339 HydrophobicContact CG-CZ 4.17Å; K304-F339 VanDerWaalsContact O-CZ 3.3Å; K304-F339 WeakPolarHBondContact O-CZ 3.47Å
305	R	96.9	Very high	98.3	Very high	201 Å²	201	39.8 Å²	39.8	76%	0.758	19%	0.192	S	C	*	.	H	α-helix	trans	-68.4	-39.2	179.9	-66.5	-172.6	-176.7	122.5	1.5	112.3	K302 H303 I307 V308 T309	K302-R305 PolarHBondContact O-N 3.01Å; H303-R305 VanDerWaalsContact C-N 3.27Å; H303-R305 PolarHBondContact O-N 3.02Å; R305-I307 VanDerWaalsContact C-N 3.32Å; R305-V308 PolarHBondContact O-N 2.92Å; R305-T309 WeakPolarHBondContact O-CB 3.29Å; R305-T309 PolarHBondContact O-N 2.83Å; R305-T309 PolarHBondContact O-OG1 2.91Å
306	D	98.1	Very high	98.3	Very high	75 Å²	75	39.8 Å²	39.8	40%	0.401	19%	0.192	S	C	.	.	H	α-helix	trans	-66.1	-37.7	179.1	-65.6	-36	0	0	0	111.3	S270 H303 T309 A310	S270-D306 WeakPolarHBondContact CB-O 3.46Å; H303-D306 PolarHBondContact O-N 3.25Å; H303-D306 VanDerWaalsContact O-N 3.1Å; D306-T309 PolarHBondContact O-N 3.07Å; D306-A310 WeakPolarHBondContact O-CB 3.41Å; D306-A310 PolarHBondContact O-N 2.8Å
307	I	98.5	Very high	98.3	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-47.5	177.5	-71.8	167.8	0	0	0	111.4	A296 L298 H303 K304 R305 A310 G311 F312 V315 L345	A296-I307 HydrophobicContact CB-CD1 3.98Å; A296-I307 HydrophobicContact CB-CG1 3.79Å; A296-I307 HydrophobicContact CB-CG2 4.21Å; L298-I307 HydrophobicContact CB-CD1 4.34Å; L298-I307 HydrophobicContact CD1-CD1 4.07Å; H303-I307 HydrophobicContact CB-CD1 4.47Å; H303-I307 VanDerWaalsContact O-CG1 3.24Å; H303-I307 WeakPolarHBondContact O-CG1 3.48Å; H303-I307 PolarHBondContact O-N 3.13Å; K304-I307 PolarHBondContact O-N 2.98Å; R305-I307 VanDerWaalsContact C-N 3.32Å; I307-A310 WeakPolarHBondContact O-CB 3.39Å; I307-A310 PolarHBondContact O-N 3.28Å; I307-G311 PolarHBondContact O-N 3Å; I307-G311 VanDerWaalsContact O-N 3.13Å; I307-F312 HydrophobicContact CG2-CB 3.93Å; I307-F312 HydrophobicContact CG2-CD2 4.36Å; I307-F312 PolarHBondContact O-N 3.43Å; I307-V315 HydrophobicContact CD1-CG1 3.86Å; I307-V315 HydrophobicContact CG2-CG1 3.85Å; I307-L345 HydrophobicContact CG2-CD1 4.25Å
308	V	98.3	Very high	98.3	Very high	51 Å²	51	40.3 Å²	40.3	31%	0.309	19%	0.194	S	C	.	.	H	α-helix	trans	-66.6	-40.3	176.4	173.4	0	0	0	0	111	K304 R305 A310 G311 F339 N343 L345	K304-V308 PolarHBondContact O-N 2.87Å; R305-V308 PolarHBondContact O-N 2.92Å; V308-A310 VanDerWaalsContact C-N 3.29Å; V308-A310 PolarHBondContact O-N 2.98Å; V308-G311 PolarHBondContact O-N 3.24Å; V308-F339 HydrophobicContact CG2-CE1 4.42Å; V308-F339 HydrophobicContact CG2-CE2 4.31Å; V308-F339 HydrophobicContact CG2-CZ 3.6Å; V308-N343 HydrophobicContact CG2-CB 4Å; V308-L345 HydrophobicContact CG2-CD1 4.06Å
309	T	97.4	Very high	98.3	Very high	64 Å²	64	41.7 Å²	41.7	39%	0.393	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-38.5	177.7	-58.8	0	0	0	0	111.5	K278 R305 D306	K278-T309 WeakPolarHBondContact CE-O 3.24Å; K278-T309 PolarHBondContact NZ-O 2.92Å; R305-T309 WeakPolarHBondContact O-CB 3.29Å; R305-T309 PolarHBondContact O-N 2.83Å; R305-T309 PolarHBondContact O-OG1 2.91Å; D306-T309 PolarHBondContact O-N 3.07Å
310	A	97.9	Very high	98.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-29.5	177.1	0	0	0	0	0	113.5	S270 W273 A274 L277 D306 I307 V308 F312	S270-A310 WeakPolarHBondContact O-CA 3.38Å; W273-A310 CarbonylContact C-O 3.42Å; W273-A310 HydrophobicContact CB-CB 3.43Å; W273-A310 VanDerWaalsContact CB-CB 3.43Å; W273-A310 HydrophobicContact CG-CB 4.09Å; A274-A310 VanDerWaalsContact CA-O 3.29Å; A274-A310 WeakPolarHBondContact CA-O 3.07Å; A274-A310 PolarHBondContact N-O 2.86Å; L277-A310 WeakPolarHBondContact CB-O 3.36Å; D306-A310 WeakPolarHBondContact O-CB 3.41Å; D306-A310 PolarHBondContact O-N 2.8Å; I307-A310 WeakPolarHBondContact O-CB 3.39Å; I307-A310 PolarHBondContact O-N 3.28Å; V308-A310 VanDerWaalsContact C-N 3.29Å; V308-A310 PolarHBondContact O-N 2.98Å; A310-F312 HydrophobicContact CB-CD2 3.52Å; A310-F312 HydrophobicContact CB-CE2 3.61Å
311	G	97.9	Very high	98.3	Very high	14 Å²	14	36.6 Å²	36.6	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	25.8	-179	0	0	0	0	0	114.5	L277 R286 I307 V308	L277-G311 WeakPolarHBondContact CB-O 3.47Å; R286-G311 PolarHBondContact NH2-O 3.24Å; I307-G311 PolarHBondContact O-N 3Å; I307-G311 VanDerWaalsContact O-N 3.13Å; V308-G311 PolarHBondContact O-N 3.24Å
312	F	98.6	Very high	98.3	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.044	17%	0.165	C	C	.	.			trans	-63.9	156.6	169.3	-75	-80.9	0	0	0	111.6	V262 W273 L277 F294 A296 I307 A310 L345	V262-F312 HydrophobicContact CB-CE1 4.4Å; V262-F312 HydrophobicContact CG2-CE1 4.22Å; W273-F312 HydrophobicContact CB-CE2 4.31Å; W273-F312 AromaticContact CD1-CE2 3.79Å; W273-F312 HydrophobicContact CD2-CE1 4.49Å; W273-F312 HydrophobicContact CD2-CE2 4.01Å; W273-F312 AromaticContact CD2-CZ 3.57Å; W273-F312 HydrophobicContact CD2-CZ 3.57Å; W273-F312 AromaticContact CE2-CZ 3.57Å; W273-F312 HydrophobicContact CE3-CZ 4.03Å; W273-F312 AromaticContact CG-CE2 3.79Å; W273-F312 HydrophobicContact CG-CE2 3.79Å; W273-F312 AromaticContact CG-CZ 3.88Å; W273-F312 HydrophobicContact CG-CZ 3.88Å; W273-F312 HydrophobicContact CZ2-CZ 4.08Å; W273-F312 HydrophobicContact CZ3-CZ 4.48Å; W273-F312 AromaticContact NE1-CE2 3.97Å; W273-F312 AromaticContact NE1-CZ 3.77Å; L277-F312 HydrophobicContact CD1-CD1 3.76Å; L277-F312 HydrophobicContact CD1-CD2 4.28Å; L277-F312 HydrophobicContact CD1-CE1 3.81Å; L277-F312 HydrophobicContact CD1-CE2 4.32Å; L277-F312 HydrophobicContact CD1-CG 4Å; L277-F312 HydrophobicContact CD1-CZ 4.1Å; F294-F312 HydrophobicContact CB-CD1 3.77Å; F294-F312 HydrophobicContact CB-CE1 4.22Å; A296-F312 HydrophobicContact CB-CB 4.16Å; A296-F312 HydrophobicContact CB-CD1 3.71Å; A296-F312 HydrophobicContact CB-CD2 3.71Å; A296-F312 HydrophobicContact CB-CE1 3.94Å; A296-F312 HydrophobicContact CB-CE2 3.94Å; A296-F312 HydrophobicContact CB-CG 3.6Å; A296-F312 HydrophobicContact CB-CZ 4.05Å; I307-F312 HydrophobicContact CG2-CB 3.93Å; I307-F312 HydrophobicContact CG2-CD2 4.36Å; I307-F312 PolarHBondContact O-N 3.43Å; A310-F312 HydrophobicContact CB-CD2 3.52Å; A310-F312 HydrophobicContact CB-CE2 3.61Å; F312-L345 WeakPolarHBondContact O-CD2 3.41Å
313	D	98.5	Very high	98.4	Very high	43 Å²	43	30.4 Å²	30.4	23%	0.23	16%	0.162	C	C	.	.	S	Bend	trans	-96.6	-7.8	-178.6	-55.1	-73.3	0	0	0	112.8	R286 I293 F294 L345 L346	R286-D313 IonicContact CZ-OD1 3.14Å; R286-D313 IonicContact CZ-OD2 3.44Å; R286-D313 IonicContact NH1-OD1 2.96Å; R286-D313 PolarHBondContact NH1-OD1 2.93Å; R286-D313 IonicContact NH1-OD2 3.82Å; R286-D313 PolarHBondContact NH1-OD2 2.74Å; R286-D313 IonicContact NH2-OD1 3.43Å; R286-D313 PolarHBondContact NH2-OD1 2.92Å; R286-D313 IonicContact NH2-OD2 3.94Å; R286-D313 PolarHBondContact NH2-OD2 3.14Å; I293-D313 WeakPolarHBondContact CA-OD2 3.31Å; I293-D313 HydrophobicContact CB-CB 4.48Å; I293-D313 HydrophobicContact CG2-CB 3.83Å; F294-D313 PolarHBondContact N-OD2 3.42Å; F294-D313 PolarHBondContact O-N 3.31Å; D313-L345 WeakPolarHBondContact O-CA 3.36Å; D313-L346 PolarHBondContact O-N 3Å
314	G	98.6	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	175.8	-177.3	0	0	0	0	0	113.9	F294 A296 L346	F294-G314 PolarHBondContact O-N 3.32Å; A296-G314 PolarHBondContact N-O 3.43Å; G314-L346 CarbonylContact C-O 3.58Å; G314-L346 WeakPolarHBondContact CA-O 3.47Å
315	V	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.2	176.4	-49.3	0	0	0	0	111.4	I295 A296 L298 I307 I336 C340 L345 L346 F347 I348	I295-V315 VanDerWaalsContact CG2-C 3.48Å; A296-V315 CarbonylContact O-C 3.57Å; A296-V315 VanDerWaalsContact O-CA 3.28Å; A296-V315 WeakPolarHBondContact O-CA 3.36Å; L298-V315 HydrophobicContact CB-CB 4.34Å; I307-V315 HydrophobicContact CD1-CG1 3.86Å; I307-V315 HydrophobicContact CG2-CG1 3.85Å; V315-I336 HydrophobicContact CG2-CG2 3.87Å; V315-C340 WeakPolarHBondContact CG2-SG 3.12Å; V315-L345 HydrophobicContact CG1-CD1 4.46Å; V315-L346 PolarHBondContact N-O 2.91Å; V315-F347 HydrophobicContact CG2-CD2 3.77Å; V315-F347 HydrophobicContact CG2-CE2 4.43Å; V315-I348 PolarHBondContact O-N 3.42Å
316	Y	98.9	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	168.3	167	82.8	-60.6	0	0	0	111.2	F101 H217 Y261 Y263 I295 A296 L297 L298 Y318 I348	F101-Y316 HydrophobicContact CE1-CD2 4.38Å; F101-Y316 AromaticContact CE1-CE2 4Å; F101-Y316 HydrophobicContact CE1-CE2 4Å; F101-Y316 HydrophobicContact CE2-CD2 4.21Å; F101-Y316 HydrophobicContact CE2-CE2 4.25Å; F101-Y316 AromaticContact CZ-CD2 3.51Å; F101-Y316 HydrophobicContact CZ-CD2 3.51Å; F101-Y316 AromaticContact CZ-CE2 3.47Å; F101-Y316 HydrophobicContact CZ-CE2 3.47Å; F101-Y316 VanDerWaalsContact CZ-CE2 3.47Å; H217-Y316 PolarHBondContact CD2-OH 3.3Å; H217-Y316 PolarHBondContact NE2-OH 3.24Å; H217-Y316 VanDerWaalsContact NE2-OH 3.09Å; Y261-Y316 AromaticContact CD1-CD1 4Å; Y261-Y316 HydrophobicContact CD1-CD1 4Å; Y261-Y316 AromaticContact CD1-CD2 3.86Å; Y261-Y316 HydrophobicContact CD1-CD2 3.86Å; Y261-Y316 HydrophobicContact CD1-CE1 4.29Å; Y261-Y316 HydrophobicContact CD1-CE2 4.12Å; Y261-Y316 AromaticContact CD1-CG 3.77Å; Y261-Y316 HydrophobicContact CD1-CG 3.77Å; Y261-Y316 HydrophobicContact CE1-CD2 4.32Å; Y261-Y316 HydrophobicContact CE1-CG 4.19Å; Y263-Y316 VanDerWaalsContact CA-OH 3.24Å; Y263-Y316 WeakPolarHBondContact CA-OH 3.42Å; Y263-Y316 WeakPolarHBondContact CD2-OH 3.2Å; Y263-Y316 PolarHBondContact N-OH 3.08Å; I295-Y316 HydrophobicContact CG2-CD1 3.84Å; I295-Y316 HydrophobicContact CG2-CG 4.17Å; A296-Y316 VanDerWaalsContact O-CD1 3.29Å; A296-Y316 WeakPolarHBondContact O-CD1 3.41Å; A296-Y316 PolarHBondContact O-N 3.47Å; L297-Y316 HydrophobicContact CB-CD1 4.27Å; L297-Y316 HydrophobicContact CB-CE1 3.6Å; L297-Y316 HydrophobicContact CD1-CD1 4.38Å; L297-Y316 HydrophobicContact CD1-CE1 4.08Å; L297-Y316 HydrophobicContact CD1-CE2 4.31Å; L297-Y316 HydrophobicContact CG-CE1 4.42Å; L298-Y316 PolarHBondContact N-O 2.88Å; Y316-Y318 HydrophobicContact CE2-CD2 4.08Å; Y316-Y318 HydrophobicContact CE2-CG 4.34Å; Y316-I348 WeakPolarHBondContact CA-O 3.34Å; Y316-I348 VanDerWaalsContact CB-O 3.22Å; Y316-I348 WeakPolarHBondContact CB-O 3.37Å
317	T	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.			trans	-120	-11.6	-165.9	63.9	0	0	0	0	114.8	F319 G327 F347 S350	T317-F319 VanDerWaalsContact C-N 3.29Å; T317-F319 WeakPolarHBondContact O-CD2 3.17Å; T317-F319 PolarHBondContact O-N 2.8Å; T317-G327 WeakPolarHBondContact CB-O 3.25Å; T317-G327 WeakPolarHBondContact CG2-O 3.22Å; T317-F347 HydrophobicContact CG2-CE2 4.3Å; T317-S350 PolarHBondContact N-OG 3.04Å; T317-S350 WeakPolarHBondContact OG1-CB 3.44Å; T317-S350 PolarHBondContact OG1-N 2.94Å
318	Y	98.9	Very high	98.5	Very high	11 Å²	11	22.4 Å²	22.4	4%	0.043	13%	0.13	C	C	.	.			trans	49	-67.6	178.3	-173.5	-101.1	0	0	0	116.6	F101 Y103 H217 Y263 Y316 A320 S350 T395	F101-Y318 HydrophobicContact CD2-CD2 4.07Å; F101-Y318 HydrophobicContact CD2-CE2 4.27Å; F101-Y318 AromaticContact CE2-CD2 4Å; F101-Y318 HydrophobicContact CE2-CD2 4Å; F101-Y318 HydrophobicContact CG-CD2 4.49Å; F101-Y318 HydrophobicContact CG-CE2 4.38Å; F101-Y318 HydrophobicContact CZ-CD2 4.37Å; Y103-Y318 WeakPolarHBondContact OH-CE2 3.3Å; Y103-Y318 PolarHBondContact OH-OH 2.92Å; H217-Y318 AromaticContact CE1-CD2 3.95Å; H217-Y318 AromaticContact CE1-CE2 3.63Å; Y263-Y318 HydrophobicContact CD2-CD1 4.35Å; Y263-Y318 HydrophobicContact CD2-CD2 4.31Å; Y263-Y318 HydrophobicContact CD2-CG 4.17Å; Y263-Y318 AromaticContact CE2-CD1 3.37Å; Y263-Y318 HydrophobicContact CE2-CD1 3.37Å; Y263-Y318 HydrophobicContact CE2-CD2 4.07Å; Y263-Y318 AromaticContact CE2-CE1 3.64Å; Y263-Y318 HydrophobicContact CE2-CE1 3.64Å; Y263-Y318 HydrophobicContact CE2-CE2 4.29Å; Y263-Y318 AromaticContact CE2-CG 3.6Å; Y263-Y318 HydrophobicContact CE2-CG 3.6Å; Y263-Y318 AromaticContact CZ-CD1 3.92Å; Y263-Y318 AromaticContact CZ-CE1 3.78Å; Y263-Y318 WeakPolarHBondContact OH-CE1 3.36Å; Y316-Y318 HydrophobicContact CE2-CD2 4.08Å; Y316-Y318 HydrophobicContact CE2-CG 4.34Å; Y318-A320 PolarHBondContact O-N 2.85Å; Y318-S350 VanDerWaalsContact CA-CB 3.46Å; Y318-S350 WeakPolarHBondContact CA-OG 3.2Å; Y318-S350 PolarHBondContact N-OG 3.28Å; Y318-S350 WeakPolarHBondContact O-CB 3.15Å; Y318-T395 HydrophobicContact CD2-CG2 4.49Å; Y318-T395 HydrophobicContact CE2-CG2 4.25Å; Y318-T395 WeakPolarHBondContact O-CB 3.46Å; Y318-T395 VanDerWaalsContact O-CG2 3.29Å; Y318-T395 WeakPolarHBondContact O-CG2 3.39Å; Y318-T395 PolarHBondContact O-OG1 2.68Å
319	F	98.8	Very high	98.5	Very high	29 Å²	29	20.9 Å²	20.9	13%	0.127	12%	0.121	C	C	.	.			trans	-58.8	127.2	-165.4	-50.7	-73.5	0	0	0	113.3	L297 V299 T317 T321 F324 S328	L297-F319 HydrophobicContact CD2-CZ 4.43Å; V299-F319 HydrophobicContact CG1-CE2 4.48Å; V299-F319 HydrophobicContact CG2-CE2 4.03Å; T317-F319 VanDerWaalsContact C-N 3.29Å; T317-F319 WeakPolarHBondContact O-CD2 3.17Å; T317-F319 PolarHBondContact O-N 2.8Å; F319-T321 PolarHBondContact O-N 2.85Å; F319-F324 HydrophobicContact CB-CD1 3.91Å; F319-F324 AromaticContact CD1-CD1 3.65Å; F319-F324 HydrophobicContact CD1-CD1 3.65Å; F319-F324 AromaticContact CD1-CE1 3.58Å; F319-F324 HydrophobicContact CD1-CE1 3.58Å; F319-F324 AromaticContact CD2-CD1 3.66Å; F319-F324 HydrophobicContact CD2-CD1 3.66Å; F319-F324 HydrophobicContact CD2-CE1 4.04Å; F319-F324 HydrophobicContact CE1-CD1 4.06Å; F319-F324 AromaticContact CE1-CE1 3.55Å; F319-F324 HydrophobicContact CE1-CE1 3.55Å; F319-F324 HydrophobicContact CE2-CD1 4.03Å; F319-F324 AromaticContact CE2-CE1 3.98Å; F319-F324 HydrophobicContact CE2-CE1 3.98Å; F319-F324 AromaticContact CG-CD1 3.44Å; F319-F324 HydrophobicContact CG-CD1 3.44Å; F319-F324 VanDerWaalsContact CG-CD1 3.44Å; F319-F324 AromaticContact CG-CE1 3.85Å; F319-F324 HydrophobicContact CG-CE1 3.85Å; F319-F324 HydrophobicContact CZ-CD1 4.23Å; F319-F324 AromaticContact CZ-CE1 3.75Å; F319-F324 HydrophobicContact CZ-CE1 3.75Å; F319-S328 WeakPolarHBondContact O-CB 3.15Å
320	A	98.6	Very high	98.6	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.033	11%	0.109	C	C	.	.	S	Bend	trans	-68.5	-19.4	176.5	0	0	0	0	0	113.3	Y318 N322 Y376 T395 T404	Y318-A320 PolarHBondContact O-N 2.85Å; A320-N322 PolarHBondContact O-N 2.59Å; A320-Y376 WeakPolarHBondContact O-CE1 2.97Å; A320-Y376 PolarHBondContact O-OH 3.32Å; A320-T395 HydrophobicContact CB-CG2 4.33Å; A320-T404 HydrophobicContact CB-CG2 3.56Å
321	T	98.7	Very high	98.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.147	C	C	.	.	S	Bend	trans	-82.9	104.5	-179.6	-62.1	0	0	0	0	111.4	F319 G323 F324 S328 Y355 N367 R369	F319-T321 PolarHBondContact O-N 2.85Å; T321-G323 PolarHBondContact O-N 3.16Å; T321-F324 HydrophobicContact CG2-CB 3.92Å; T321-F324 VanDerWaalsContact O-CB 3.31Å; T321-F324 WeakPolarHBondContact O-CB 3.49Å; T321-F324 PolarHBondContact O-N 3.33Å; T321-F324 VanDerWaalsContact O-N 3.07Å; T321-S328 PolarHBondContact O-OG 2.73Å; T321-Y355 WeakPolarHBondContact OG1-CB 3.43Å; T321-N367 HydrophobicContact CG2-CB 4.36Å; T321-N367 VanDerWaalsContact CG2-O 3.31Å; T321-N367 WeakPolarHBondContact CG2-O 3.45Å; T321-N367 PolarHBondContact OG1-O 2.78Å; T321-N367 VanDerWaalsContact OG1-O 3.11Å; T321-R369 HydrophobicContact CG2-CG 3.87Å
322	N	98.6	Very high	98.6	Very high	50 Å²	50	30 Å²	30	27%	0.267	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	122.3	166.4	-174.1	17.9	0	0	0	110.5	A320 S328 T329 H330 R369 Y376	A320-N322 PolarHBondContact O-N 2.59Å; N322-S328 WeakPolarHBondContact CA-O 3.38Å; N322-T329 WeakPolarHBondContact OD1-CA 2.96Å; N322-H330 PolarHBondContact OD1-N 2.8Å; N322-H330 VanDerWaalsContact OD1-N 3.09Å; N322-R369 PolarHBondContact O-NE 3.44Å; N322-R369 PolarHBondContact O-NH2 2.89Å; N322-R369 VanDerWaalsContact O-NH2 3.08Å; N322-Y376 WeakPolarHBondContact CB-OH 3.37Å; N322-Y376 PolarHBondContact N-OH 3.32Å
323	G	97.8	Very high	98.7	Very high	45 Å²	45	29.5 Å²	29.5	46%	0.464	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-2.8	-178.7	0	0	0	0	0	115.6	T321 T329	T321-G323 PolarHBondContact O-N 3.16Å; G323-T329 WeakPolarHBondContact CA-OG1 3.48Å
324	F	98	Very high	98.7	Very high	92 Å²	92	34.5 Å²	34.5	40%	0.404	17%	0.166	S	C	.	.	S	Bend	trans	-68.9	-39.2	179.3	178.1	-108.5	0	0	0	112.8	F319 T321 S328 N367	F319-F324 HydrophobicContact CB-CD1 3.91Å; F319-F324 AromaticContact CD1-CD1 3.65Å; F319-F324 HydrophobicContact CD1-CD1 3.65Å; F319-F324 AromaticContact CD1-CE1 3.58Å; F319-F324 HydrophobicContact CD1-CE1 3.58Å; F319-F324 AromaticContact CD2-CD1 3.66Å; F319-F324 HydrophobicContact CD2-CD1 3.66Å; F319-F324 HydrophobicContact CD2-CE1 4.04Å; F319-F324 HydrophobicContact CE1-CD1 4.06Å; F319-F324 AromaticContact CE1-CE1 3.55Å; F319-F324 HydrophobicContact CE1-CE1 3.55Å; F319-F324 HydrophobicContact CE2-CD1 4.03Å; F319-F324 AromaticContact CE2-CE1 3.98Å; F319-F324 HydrophobicContact CE2-CE1 3.98Å; F319-F324 AromaticContact CG-CD1 3.44Å; F319-F324 HydrophobicContact CG-CD1 3.44Å; F319-F324 VanDerWaalsContact CG-CD1 3.44Å; F319-F324 AromaticContact CG-CE1 3.85Å; F319-F324 HydrophobicContact CG-CE1 3.85Å; F319-F324 HydrophobicContact CZ-CD1 4.23Å; F319-F324 AromaticContact CZ-CE1 3.75Å; F319-F324 HydrophobicContact CZ-CE1 3.75Å; T321-F324 HydrophobicContact CG2-CB 3.92Å; T321-F324 VanDerWaalsContact O-CB 3.31Å; T321-F324 WeakPolarHBondContact O-CB 3.49Å; T321-F324 PolarHBondContact O-N 3.33Å; T321-F324 VanDerWaalsContact O-N 3.07Å; F324-S328 PolarHBondContact N-OG 3.41Å; F324-N367 WeakPolarHBondContact CD2-OD1 3.1Å
325	S	98.6	Very high	98.7	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.084	19%	0.186	C	C	.	.	S	Bend	trans	-135.7	169.6	178	69.4	0	0	0	0	110.4	V299 G327 S328 T329	V299-S325 WeakPolarHBondContact O-CB 3.29Å; S325-G327 VanDerWaalsContact C-N 3.29Å; S325-G327 PolarHBondContact O-N 2.93Å; S325-S328 PolarHBondContact N-OG 3.34Å; S325-S328 PolarHBondContact O-N 3.2Å; S325-S328 WeakPolarHBondContact OG-CB 3.35Å; S325-S328 PolarHBondContact OG-N 3.11Å; S325-S328 PolarHBondContact OG-OG 2.87Å; S325-S328 VanDerWaalsContact OG-OG 3.07Å; S325-T329 PolarHBondContact O-N 3.12Å; S325-T329 PolarHBondContact O-OG1 2.92Å
326	Y	98.8	Very high	98.6	Very high	42 Å²	42	37.4 Å²	37.4	17%	0.165	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-44.7	172.1	173.6	-86.4	0	0	0	110.8	L298 V299 E301 K304 T329 N332 I336	L298-Y326 HydrophobicContact CD2-CE1 4.49Å; V299-Y326 WeakPolarHBondContact O-CA 3.14Å; V299-Y326 VanDerWaalsContact O-CB 3.26Å; V299-Y326 WeakPolarHBondContact O-CB 3.45Å; V299-Y326 PolarHBondContact O-N 3.14Å; E301-Y326 HydrophobicContact CB-CD1 4.05Å; E301-Y326 HydrophobicContact CB-CD2 3.71Å; E301-Y326 HydrophobicContact CB-CE1 4.05Å; E301-Y326 HydrophobicContact CB-CE2 3.66Å; E301-Y326 HydrophobicContact CB-CG 3.89Å; E301-Y326 HydrophobicContact CG-CD2 4.38Å; E301-Y326 HydrophobicContact CG-CE1 4.17Å; E301-Y326 HydrophobicContact CG-CE2 3.81Å; E301-Y326 PolarHBondContact OE1-OH 2.94Å; E301-Y326 VanDerWaalsContact OE1-OH 3.08Å; K304-Y326 WeakPolarHBondContact CE-OH 3.49Å; K304-Y326 PolarHBondContact NZ-OH 3.07Å; Y326-T329 PolarHBondContact O-N 2.75Å; Y326-N332 VanDerWaalsContact CD2-ND2 3.28Å; Y326-N332 WeakPolarHBondContact CD2-ND2 3.46Å; Y326-N332 HydrophobicContact CE1-CB 4.33Å; Y326-N332 HydrophobicContact CE2-CB 4.27Å; Y326-N332 PolarHBondContact O-ND2 3.35Å; Y326-I336 HydrophobicContact CD1-CD1 4.21Å; Y326-I336 HydrophobicContact CE1-CD1 3.77Å; Y326-I336 HydrophobicContact CE1-CG1 3.77Å
327	G	98.7	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-38.5	-179.8	0	0	0	0	0	113.5	L298 V299 T317 S325 T329 W333	L298-G327 WeakPolarHBondContact O-CA 3.27Å; V299-G327 PolarHBondContact O-N 3.31Å; T317-G327 WeakPolarHBondContact CB-O 3.25Å; T317-G327 WeakPolarHBondContact CG2-O 3.22Å; S325-G327 VanDerWaalsContact C-N 3.29Å; S325-G327 PolarHBondContact O-N 2.93Å; G327-T329 VanDerWaalsContact C-N 3.27Å; G327-T329 PolarHBondContact O-N 3.17Å; G327-W333 PolarHBondContact O-NE1 3.05Å
328	S	98.8	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.3	179.2	73.6	0	0	0	0	114.2	F319 T321 N322 F324 S325	F319-S328 WeakPolarHBondContact O-CB 3.15Å; T321-S328 PolarHBondContact O-OG 2.73Å; N322-S328 WeakPolarHBondContact CA-O 3.38Å; F324-S328 PolarHBondContact N-OG 3.41Å; S325-S328 PolarHBondContact N-OG 3.34Å; S325-S328 PolarHBondContact O-N 3.2Å; S325-S328 WeakPolarHBondContact OG-CB 3.35Å; S325-S328 PolarHBondContact OG-N 3.11Å; S325-S328 PolarHBondContact OG-OG 2.87Å; S325-S328 VanDerWaalsContact OG-OG 3.07Å
329	T	98.8	Very high	98.6	Very high	19 Å²	19	42.5 Å²	42.5	12%	0.117	21%	0.214	C	C	.	.			trans	-86.6	112.2	177.1	-56.7	0	0	0	0	110.4	N322 G323 S325 Y326 G327 R331 N332	N322-T329 WeakPolarHBondContact OD1-CA 2.96Å; G323-T329 WeakPolarHBondContact CA-OG1 3.48Å; S325-T329 PolarHBondContact O-N 3.12Å; S325-T329 PolarHBondContact O-OG1 2.92Å; Y326-T329 PolarHBondContact O-N 2.75Å; G327-T329 VanDerWaalsContact C-N 3.27Å; G327-T329 PolarHBondContact O-N 3.17Å; T329-R331 VanDerWaalsContact C-N 3.25Å; T329-R331 HydrophobicContact CG2-CG 3.81Å; T329-R331 PolarHBondContact O-N 2.73Å; T329-R331 VanDerWaalsContact O-N 3.1Å; T329-N332 WeakPolarHBondContact O-CB 3.49Å; T329-N332 PolarHBondContact O-N 2.85Å
330	H	98.7	Very high	98.6	Very high	30 Å²	30	41.1 Å²	41.1	14%	0.139	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57	-35.3	-170.5	-57.3	175.1	0	0	0	113.7	N322 N332 W333 A380 A383	N322-H330 PolarHBondContact OD1-N 2.8Å; N322-H330 VanDerWaalsContact OD1-N 3.09Å; H330-N332 PolarHBondContact O-N 3.19Å; H330-N332 VanDerWaalsContact O-N 3.07Å; H330-W333 HydrophobicContact CB-CD2 4.43Å; H330-W333 HydrophobicContact CB-CE3 4.3Å; H330-W333 HydrophobicContact CB-CZ3 4.43Å; H330-W333 AromaticContact CD2-CE2 3.99Å; H330-W333 AromaticContact CD2-CH2 3.37Å; H330-W333 WeakPolarHBondContact CD2-CH2 3.4Å; H330-W333 AromaticContact CD2-CZ2 3.45Å; H330-W333 VanDerWaalsContact CD2-CZ2 3.45Å; H330-W333 WeakPolarHBondContact CD2-CZ2 2.9Å; H330-W333 AromaticContact CD2-CZ3 3.88Å; H330-W333 AromaticContact NE2-CH2 3.72Å; H330-W333 WeakPolarHBondContact O-CB 3.47Å; H330-W333 PolarHBondContact O-N 2.8Å; H330-A380 VanDerWaalsContact CE1-CA 3.49Å; H330-A380 WeakPolarHBondContact CE1-CA 3.43Å; H330-A383 HydrophobicContact CB-CB 3.94Å
331	R	98.6	Very high	98.5	Very high	215 Å²	215	46.6 Å²	46.6	81%	0.811	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-62.1	-17.1	179.1	83.7	-168.1	176.4	178.5	-4.2	113.9	T329	T329-R331 VanDerWaalsContact C-N 3.25Å; T329-R331 HydrophobicContact CG2-CG 3.81Å; T329-R331 PolarHBondContact O-N 2.73Å; T329-R331 VanDerWaalsContact O-N 3.1Å
332	N	98.8	Very high	98.5	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.134	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-92.1	-10.9	179.5	-59	-19.8	0	0	0	111.9	Y326 T329 H330 E334 S335 I336	Y326-N332 VanDerWaalsContact CD2-ND2 3.28Å; Y326-N332 WeakPolarHBondContact CD2-ND2 3.46Å; Y326-N332 HydrophobicContact CE1-CB 4.33Å; Y326-N332 HydrophobicContact CE2-CB 4.27Å; Y326-N332 PolarHBondContact O-ND2 3.35Å; T329-N332 WeakPolarHBondContact O-CB 3.49Å; T329-N332 PolarHBondContact O-N 2.85Å; H330-N332 PolarHBondContact O-N 3.19Å; H330-N332 VanDerWaalsContact O-N 3.07Å; N332-E334 PolarHBondContact O-N 3.19Å; N332-S335 PolarHBondContact O-N 3.19Å; N332-I336 HydrophobicContact CB-CD1 4.08Å; N332-I336 VanDerWaalsContact O-CG1 3.31Å; N332-I336 WeakPolarHBondContact O-CG1 3.31Å; N332-I336 PolarHBondContact O-N 3.02Å
333	W	98.8	Very high	98.5	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-36	-170.8	-72.8	-7.5	0	0	0	113.6	G327 H330 I336 K337 F347 P349 V351 A380 A383 A384 A387	G327-W333 PolarHBondContact O-NE1 3.05Å; H330-W333 HydrophobicContact CB-CD2 4.43Å; H330-W333 HydrophobicContact CB-CE3 4.3Å; H330-W333 HydrophobicContact CB-CZ3 4.43Å; H330-W333 AromaticContact CD2-CE2 3.99Å; H330-W333 AromaticContact CD2-CH2 3.37Å; H330-W333 WeakPolarHBondContact CD2-CH2 3.4Å; H330-W333 AromaticContact CD2-CZ2 3.45Å; H330-W333 VanDerWaalsContact CD2-CZ2 3.45Å; H330-W333 WeakPolarHBondContact CD2-CZ2 2.9Å; H330-W333 AromaticContact CD2-CZ3 3.88Å; H330-W333 AromaticContact NE2-CH2 3.72Å; H330-W333 WeakPolarHBondContact O-CB 3.47Å; H330-W333 PolarHBondContact O-N 2.8Å; W333-I336 PolarHBondContact O-N 3.12Å; W333-K337 PolarHBondContact O-N 2.6Å; W333-F347 HydrophobicContact CB-CE1 4.03Å; W333-F347 HydrophobicContact CB-CZ 3.81Å; W333-F347 AromaticContact CD1-CZ 3.89Å; W333-F347 HydrophobicContact CD2-CZ 4.4Å; W333-F347 HydrophobicContact CG-CE1 4.4Å; W333-F347 AromaticContact CG-CZ 3.78Å; W333-F347 HydrophobicContact CG-CZ 3.78Å; W333-P349 HydrophobicContact CD2-CB 4.01Å; W333-P349 HydrophobicContact CE3-CB 4.11Å; W333-P349 HydrophobicContact CH2-CB 4.16Å; W333-P349 HydrophobicContact CZ2-CB 4.04Å; W333-P349 HydrophobicContact CZ3-CB 4.19Å; W333-V351 HydrophobicContact CH2-CG1 3.92Å; W333-V351 HydrophobicContact CZ3-CG1 4.29Å; W333-A380 WeakPolarHBondContact CZ3-O 3.21Å; W333-A383 HydrophobicContact CE3-CB 3.85Å; W333-A383 HydrophobicContact CZ3-CB 3.8Å; W333-A384 HydrophobicContact CE3-CB 4.25Å; W333-A384 HydrophobicContact CZ3-CB 3.78Å; W333-A387 HydrophobicContact CB-CB 3.62Å
334	E	98.5	Very high	98.4	Very high	148 Å²	148	56.9 Å²	56.9	69%	0.692	28%	0.278	S	S	*	.	H	α-helix	trans	-59.4	-49.3	172.4	-174.4	-179.7	-171.6	0	0	111	N332 I336 K337 T338	N332-E334 PolarHBondContact O-N 3.19Å; E334-I336 VanDerWaalsContact C-N 3.29Å; E334-I336 PolarHBondContact O-N 3.32Å; E334-K337 PolarHBondContact O-N 2.91Å; E334-K337 VanDerWaalsContact O-N 3.16Å; E334-T338 PolarHBondContact O-N 3.47Å; E334-T338 PolarHBondContact O-OG1 3.39Å
335	S	98.6	Very high	98.4	Very high	60 Å²	60	53.3 Å²	53.3	42%	0.42	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-32.7	176.1	176	0	0	0	0	113.2	N332 F339	N332-S335 PolarHBondContact O-N 3.19Å; S335-F339 WeakPolarHBondContact O-CB 3.45Å; S335-F339 PolarHBondContact O-N 2.89Å; S335-F339 VanDerWaalsContact O-N 3.12Å
336	I	98.8	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.8	-41.4	174.8	-66.5	161.3	0	0	0	110.2	L298 V315 Y326 N332 W333 E334 F339 C340 F347	L298-I336 HydrophobicContact CD2-CD1 3.85Å; L298-I336 HydrophobicContact CD2-CG1 3.87Å; L298-I336 HydrophobicContact CD2-CG2 3.85Å; V315-I336 HydrophobicContact CG2-CG2 3.87Å; Y326-I336 HydrophobicContact CD1-CD1 4.21Å; Y326-I336 HydrophobicContact CE1-CD1 3.77Å; Y326-I336 HydrophobicContact CE1-CG1 3.77Å; N332-I336 HydrophobicContact CB-CD1 4.08Å; N332-I336 VanDerWaalsContact O-CG1 3.31Å; N332-I336 WeakPolarHBondContact O-CG1 3.31Å; N332-I336 PolarHBondContact O-N 3.02Å; W333-I336 PolarHBondContact O-N 3.12Å; E334-I336 VanDerWaalsContact C-N 3.29Å; E334-I336 PolarHBondContact O-N 3.32Å; I336-F339 WeakPolarHBondContact O-CB 3.18Å; I336-F339 PolarHBondContact O-N 2.89Å; I336-C340 PolarHBondContact O-N 3.49Å; I336-C340 PolarHBondContact O-SG 2.92Å; I336-F347 HydrophobicContact CB-CE2 4.13Å; I336-F347 HydrophobicContact CB-CZ 4.32Å; I336-F347 HydrophobicContact CG2-CD2 3.59Å; I336-F347 HydrophobicContact CG2-CE2 3.44Å; I336-F347 VanDerWaalsContact CG2-CE2 3.44Å; I336-F347 HydrophobicContact CG2-CG 4.39Å; I336-F347 HydrophobicContact CG2-CZ 4.12Å
337	K	98.6	Very high	98.4	Very high	18 Å²	18	52 Å²	52	8%	0.078	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-50.8	175	177.2	65.6	-175.6	-167.3	0	111.2	W333 E334 F339 C340 E341 F347 A387 G388 D390	W333-K337 PolarHBondContact O-N 2.6Å; E334-K337 PolarHBondContact O-N 2.91Å; E334-K337 VanDerWaalsContact O-N 3.16Å; K337-F339 VanDerWaalsContact C-N 3.27Å; K337-F339 PolarHBondContact O-N 3.4Å; K337-C340 CarbonylContact O-C 3.54Å; K337-C340 WeakPolarHBondContact O-CA 3.44Å; K337-C340 WeakPolarHBondContact O-CB 3.36Å; K337-C340 PolarHBondContact O-N 3.27Å; K337-E341 HydrophobicContact CD-CG 4.21Å; K337-E341 WeakPolarHBondContact CE-OE1 3.31Å; K337-E341 HydrophobicContact CG-CG 4.36Å; K337-E341 IonicContact NZ-OE1 3.18Å; K337-E341 WeakPolarHBondContact O-CG 3.4Å; K337-E341 PolarHBondContact O-N 3.49Å; K337-F347 HydrophobicContact CB-CD1 3.77Å; K337-F347 HydrophobicContact CB-CE1 4.25Å; K337-F347 HydrophobicContact CB-CG 4.47Å; K337-F347 HydrophobicContact CD-CB 3.87Å; K337-F347 HydrophobicContact CD-CD1 3.95Å; K337-F347 HydrophobicContact CD-CG 4.36Å; K337-F347 HydrophobicContact CG-CD1 4.41Å; K337-A387 WeakPolarHBondContact CB-O 3.44Å; K337-A387 WeakPolarHBondContact CG-O 3.49Å; K337-G388 WeakPolarHBondContact CD-O 3.46Å; K337-G388 WeakPolarHBondContact CE-O 3.45Å; K337-G388 PolarHBondContact NZ-O 3.32Å; K337-D390 IonicContact NZ-OD1 2.85Å; K337-D390 PolarHBondContact NZ-OD1 2.95Å; K337-D390 IonicContact NZ-OD2 3.5Å; K337-D390 PolarHBondContact NZ-OD2 3.39Å
338	T	98.6	Very high	98.4	Very high	65 Å²	65	52 Å²	52	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-55.5	-45	177.1	-53.9	0	0	0	0	111.2	E334 C340 E341 D342	E334-T338 PolarHBondContact O-N 3.47Å; E334-T338 PolarHBondContact O-OG1 3.39Å; T338-C340 VanDerWaalsContact C-N 3.29Å; T338-C340 PolarHBondContact O-N 2.93Å; T338-E341 PolarHBondContact O-N 3.42Å; T338-D342 WeakPolarHBondContact O-CB 3.38Å; T338-D342 VanDerWaalsContact O-CG 3.28Å; T338-D342 PolarHBondContact O-N 3.07Å
339	F	98.8	Very high	98.4	Very high	35 Å²	35	52 Å²	52	15%	0.154	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-40.4	174.7	168.2	-97.3	0	0	0	112.7	K304 V308 S335 I336 K337 N343 L345	K304-F339 HydrophobicContact CB-CD1 4.33Å; K304-F339 HydrophobicContact CB-CD2 4.39Å; K304-F339 HydrophobicContact CB-CE1 3.81Å; K304-F339 HydrophobicContact CB-CE2 3.88Å; K304-F339 HydrophobicContact CB-CZ 3.56Å; K304-F339 HydrophobicContact CD-CB 4.35Å; K304-F339 HydrophobicContact CD-CD1 3.95Å; K304-F339 HydrophobicContact CD-CD2 4.05Å; K304-F339 HydrophobicContact CD-CE1 4.3Å; K304-F339 HydrophobicContact CD-CE2 4.38Å; K304-F339 HydrophobicContact CD-CG 3.82Å; K304-F339 HydrophobicContact CD-CZ 4.5Å; K304-F339 HydrophobicContact CG-CD1 4.03Å; K304-F339 HydrophobicContact CG-CE1 3.93Å; K304-F339 HydrophobicContact CG-CE2 4.49Å; K304-F339 HydrophobicContact CG-CG 4.36Å; K304-F339 HydrophobicContact CG-CZ 4.17Å; K304-F339 VanDerWaalsContact O-CZ 3.3Å; K304-F339 WeakPolarHBondContact O-CZ 3.47Å; V308-F339 HydrophobicContact CG2-CE1 4.42Å; V308-F339 HydrophobicContact CG2-CE2 4.31Å; V308-F339 HydrophobicContact CG2-CZ 3.6Å; S335-F339 WeakPolarHBondContact O-CB 3.45Å; S335-F339 PolarHBondContact O-N 2.89Å; S335-F339 VanDerWaalsContact O-N 3.12Å; I336-F339 WeakPolarHBondContact O-CB 3.18Å; I336-F339 PolarHBondContact O-N 2.89Å; K337-F339 VanDerWaalsContact C-N 3.27Å; K337-F339 PolarHBondContact O-N 3.4Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.39Å; F339-N343 PolarHBondContact O-N 2.73Å; F339-N343 PolarHBondContact O-ND2 3Å; F339-L345 HydrophobicContact CE1-CD1 3.86Å; F339-L345 HydrophobicContact CZ-CD1 4.4Å
340	C	98.6	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-42.5	178.3	-66.8	0	0	0	0	111.5	V315 I336 K337 T338 N343 N344 L345 F347	V315-C340 WeakPolarHBondContact CG2-SG 3.12Å; I336-C340 PolarHBondContact O-N 3.49Å; I336-C340 PolarHBondContact O-SG 2.92Å; K337-C340 CarbonylContact O-C 3.54Å; K337-C340 WeakPolarHBondContact O-CA 3.44Å; K337-C340 WeakPolarHBondContact O-CB 3.36Å; K337-C340 PolarHBondContact O-N 3.27Å; T338-C340 VanDerWaalsContact C-N 3.29Å; T338-C340 PolarHBondContact O-N 2.93Å; C340-N343 CarbonylContact O-C 3.43Å; C340-N343 PolarHBondContact O-N 3.35Å; C340-N344 PolarHBondContact O-N 3.4Å; C340-L345 HydrophobicContact CB-CB 3.9Å; C340-L345 WeakPolarHBondContact CB-O 3.29Å; C340-L345 PolarHBondContact O-N 3.1Å; C340-F347 HydrophobicContact CB-CB 4.05Å
341	E	97.5	Very high	98.4	Very high	119 Å²	119	49.8 Å²	49.8	56%	0.556	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-47.6	175.6	-68.9	175.2	155.8	0	0	111.7	K337 T338 N343 N344	K337-E341 HydrophobicContact CD-CG 4.21Å; K337-E341 WeakPolarHBondContact CE-OE1 3.31Å; K337-E341 HydrophobicContact CG-CG 4.36Å; K337-E341 IonicContact NZ-OE1 3.18Å; K337-E341 WeakPolarHBondContact O-CG 3.4Å; K337-E341 PolarHBondContact O-N 3.49Å; T338-E341 PolarHBondContact O-N 3.42Å; E341-N343 PolarHBondContact O-N 3.34Å; E341-N343 VanDerWaalsContact O-N 3.08Å; E341-N344 PolarHBondContact O-N 3.21Å; E341-N344 VanDerWaalsContact O-N 3.17Å
342	D	98.3	Very high	98.4	Very high	126 Å²	126	39.6 Å²	39.6	67%	0.674	21%	0.208	S	C	*	.	H	α-helix	trans	-59.1	-23.4	177.8	-73.2	-19.3	0	0	0	113.1	T338	T338-D342 WeakPolarHBondContact O-CB 3.38Å; T338-D342 VanDerWaalsContact O-CG 3.28Å; T338-D342 PolarHBondContact O-N 3.07Å
343	N	97.9	Very high	98.4	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.342	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	9.8	-176.7	-66.8	-90.4	0	0	0	113.3	V308 F339 C340 E341 L345	V308-N343 HydrophobicContact CG2-CB 4Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.39Å; F339-N343 PolarHBondContact O-N 2.73Å; F339-N343 PolarHBondContact O-ND2 3Å; C340-N343 CarbonylContact O-C 3.43Å; C340-N343 PolarHBondContact O-N 3.35Å; E341-N343 PolarHBondContact O-N 3.34Å; E341-N343 VanDerWaalsContact O-N 3.08Å; N343-L345 VanDerWaalsContact C-N 3.28Å; N343-L345 HydrophobicContact CB-CD1 4.03Å; N343-L345 HydrophobicContact CB-CG 3.99Å; N343-L345 PolarHBondContact O-N 3.47Å
344	N	96.3	Very high	98.4	Very high	123 Å²	123	38.3 Å²	38.3	66%	0.658	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	45.5	-177.1	-173.9	64.1	0	0	0	113.1	C340 E341	C340-N344 PolarHBondContact O-N 3.4Å; E341-N344 PolarHBondContact O-N 3.21Å; E341-N344 VanDerWaalsContact O-N 3.17Å
345	L	98.1	Very high	98.5	Very high	18 Å²	18	32.2 Å²	32.2	9%	0.094	17%	0.172	C	C	.	.			trans	-105	148.5	176	-60.6	176.8	0	0	0	110.2	I307 V308 F312 D313 V315 F339 C340 N343	I307-L345 HydrophobicContact CG2-CD1 4.25Å; V308-L345 HydrophobicContact CG2-CD1 4.06Å; F312-L345 WeakPolarHBondContact O-CD2 3.41Å; D313-L345 WeakPolarHBondContact O-CA 3.36Å; V315-L345 HydrophobicContact CG1-CD1 4.46Å; F339-L345 HydrophobicContact CE1-CD1 3.86Å; F339-L345 HydrophobicContact CZ-CD1 4.4Å; C340-L345 HydrophobicContact CB-CB 3.9Å; C340-L345 WeakPolarHBondContact CB-O 3.29Å; C340-L345 PolarHBondContact O-N 3.1Å; N343-L345 VanDerWaalsContact C-N 3.28Å; N343-L345 HydrophobicContact CB-CD1 4.03Å; N343-L345 HydrophobicContact CB-CG 3.99Å; N343-L345 PolarHBondContact O-N 3.47Å
346	L	98.2	Very high	98.5	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.3	165.7	-68.1	171.2	0	0	0	110.4	I293 I295 D313 G314 V315 I348 D390	I293-L346 HydrophobicContact CG2-CD1 3.85Å; I295-L346 HydrophobicContact CD1-CB 4.34Å; I295-L346 HydrophobicContact CD1-CD1 4.1Å; D313-L346 PolarHBondContact O-N 3Å; G314-L346 CarbonylContact C-O 3.58Å; G314-L346 WeakPolarHBondContact CA-O 3.47Å; V315-L346 PolarHBondContact N-O 2.91Å; L346-I348 HydrophobicContact CB-CG1 4.35Å; L346-D390 HydrophobicContact CD2-CB 3.93Å
347	F	98.7	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.2	167.4	179.6	-134.2	0	0	0	110.9	V315 T317 W333 I336 K337 C340 P349 A387 D390	V315-F347 HydrophobicContact CG2-CD2 3.77Å; V315-F347 HydrophobicContact CG2-CE2 4.43Å; T317-F347 HydrophobicContact CG2-CE2 4.3Å; W333-F347 HydrophobicContact CB-CE1 4.03Å; W333-F347 HydrophobicContact CB-CZ 3.81Å; W333-F347 AromaticContact CD1-CZ 3.89Å; W333-F347 HydrophobicContact CD2-CZ 4.4Å; W333-F347 HydrophobicContact CG-CE1 4.4Å; W333-F347 AromaticContact CG-CZ 3.78Å; W333-F347 HydrophobicContact CG-CZ 3.78Å; I336-F347 HydrophobicContact CB-CE2 4.13Å; I336-F347 HydrophobicContact CB-CZ 4.32Å; I336-F347 HydrophobicContact CG2-CD2 3.59Å; I336-F347 HydrophobicContact CG2-CE2 3.44Å; I336-F347 VanDerWaalsContact CG2-CE2 3.44Å; I336-F347 HydrophobicContact CG2-CG 4.39Å; I336-F347 HydrophobicContact CG2-CZ 4.12Å; K337-F347 HydrophobicContact CB-CD1 3.77Å; K337-F347 HydrophobicContact CB-CE1 4.25Å; K337-F347 HydrophobicContact CB-CG 4.47Å; K337-F347 HydrophobicContact CD-CB 3.87Å; K337-F347 HydrophobicContact CD-CD1 3.95Å; K337-F347 HydrophobicContact CD-CG 4.36Å; K337-F347 HydrophobicContact CG-CD1 4.41Å; C340-F347 HydrophobicContact CB-CB 4.05Å; F347-P349 HydrophobicContact CD1-CG 4.39Å; F347-P349 HydrophobicContact CE1-CB 4.11Å; F347-P349 HydrophobicContact CE1-CG 3.87Å; F347-P349 HydrophobicContact CE2-CB 4.14Å; F347-P349 HydrophobicContact CE2-CG 4.49Å; F347-P349 HydrophobicContact CZ-CB 3.66Å; F347-P349 HydrophobicContact CZ-CG 3.93Å; F347-P349 WeakPolarHBondContact O-CD 3.34Å; F347-A387 HydrophobicContact CE1-CB 4.15Å; F347-D390 PolarHBondContact N-OD2 3.37Å; F347-D390 PolarHBondContact O-N 2.9Å
348	I	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	78.7	-179.3	-47.1	-172.7	0	0	0	109.8	L259 Y261 I295 V315 Y316 L346 I391	L259-I348 HydrophobicContact CD1-CD1 4.46Å; Y261-I348 HydrophobicContact CE1-CD1 3.99Å; Y261-I348 HydrophobicContact CE1-CG2 4.12Å; I295-I348 HydrophobicContact CD1-CD1 3.86Å; I295-I348 HydrophobicContact CG1-CD1 3.91Å; I295-I348 HydrophobicContact CG2-CD1 4.09Å; I295-I348 HydrophobicContact CG2-CG1 4.5Å; V315-I348 PolarHBondContact O-N 3.42Å; Y316-I348 WeakPolarHBondContact CA-O 3.34Å; Y316-I348 VanDerWaalsContact CB-O 3.22Å; Y316-I348 WeakPolarHBondContact CB-O 3.37Å; L346-I348 HydrophobicContact CB-CG1 4.35Å; I348-I391 WeakPolarHBondContact CA-O 3.27Å; I348-I391 HydrophobicContact CB-CB 4.46Å; I348-I391 HydrophobicContact CD1-CB 4.13Å; I348-I391 HydrophobicContact CD1-CD1 3.93Å; I348-I391 HydrophobicContact CD1-CG1 4.47Å; I348-I391 HydrophobicContact CG1-CB 4.03Å; I348-I391 HydrophobicContact CG2-CB 3.91Å; I348-I391 HydrophobicContact CG2-CG2 3.88Å; I348-I391 WeakPolarHBondContact CG2-O 3.26Å
349	P	98.9	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.			trans	-60.1	144.5	174.9	24.3	-31.9	0	0	0	111	W333 F347 A384 A389 I391 S393	W333-P349 HydrophobicContact CD2-CB 4.01Å; W333-P349 HydrophobicContact CE3-CB 4.11Å; W333-P349 HydrophobicContact CH2-CB 4.16Å; W333-P349 HydrophobicContact CZ2-CB 4.04Å; W333-P349 HydrophobicContact CZ3-CB 4.19Å; F347-P349 HydrophobicContact CD1-CG 4.39Å; F347-P349 HydrophobicContact CE1-CB 4.11Å; F347-P349 HydrophobicContact CE1-CG 3.87Å; F347-P349 HydrophobicContact CE2-CB 4.14Å; F347-P349 HydrophobicContact CE2-CG 4.49Å; F347-P349 HydrophobicContact CZ-CB 3.66Å; F347-P349 HydrophobicContact CZ-CG 3.93Å; F347-P349 WeakPolarHBondContact O-CD 3.34Å; P349-A384 HydrophobicContact CB-CB 4.21Å; P349-A384 HydrophobicContact CG-CB 3.74Å; P349-A389 HydrophobicContact CG-CB 3.5Å; P349-I391 WeakPolarHBondContact CD-O 3.49Å; P349-S393 PolarHBondContact O-N 3.22Å; P349-S393 PolarHBondContact O-OG 3.14Å
350	S	98.9	Very high	98.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123	176.4	-51.3	0	0	0	0	110.3	T317 Y318 S393	T317-S350 PolarHBondContact N-OG 3.04Å; T317-S350 WeakPolarHBondContact OG1-CB 3.44Å; T317-S350 PolarHBondContact OG1-N 2.94Å; Y318-S350 VanDerWaalsContact CA-CB 3.46Å; Y318-S350 WeakPolarHBondContact CA-OG 3.2Å; Y318-S350 PolarHBondContact N-OG 3.28Å; Y318-S350 WeakPolarHBondContact O-CB 3.15Å; S350-S393 CarbonylContact C-O 3.13Å; S350-S393 VanDerWaalsContact CA-O 3.25Å; S350-S393 WeakPolarHBondContact CA-O 3.32Å; S350-S393 VanDerWaalsContact CA-OG 3.25Å; S350-S393 WeakPolarHBondContact CA-OG 3.26Å; S350-S393 WeakPolarHBondContact CB-OG 3.44Å; S350-S393 PolarHBondContact OG-OG 3.29Å
351	V	98.9	Very high	98.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.5	-178.6	-62.3	0	0	0	0	110	W333 Y377 A380 L381 A384 I392 S393 I394 T395	W333-V351 HydrophobicContact CH2-CG1 3.92Å; W333-V351 HydrophobicContact CZ3-CG1 4.29Å; V351-Y377 HydrophobicContact CB-CE2 4.32Å; V351-Y377 HydrophobicContact CG2-CE2 3.9Å; V351-A380 HydrophobicContact CB-CB 3.88Å; V351-A380 HydrophobicContact CG1-CB 3.9Å; V351-A380 WeakPolarHBondContact CG1-O 3.29Å; V351-L381 HydrophobicContact CG2-CD2 3.76Å; V351-L381 HydrophobicContact CG2-CG 4.24Å; V351-A384 HydrophobicContact CG1-CB 3.88Å; V351-I392 HydrophobicContact CG1-CG2 4.25Å; V351-I392 HydrophobicContact CG2-CG2 3.6Å; V351-S393 WeakPolarHBondContact CG2-O 3.49Å; V351-S393 PolarHBondContact N-O 3.45Å; V351-I394 HydrophobicContact CG2-CG1 4.16Å; V351-I394 CarbonylContact O-C 3.05Å; V351-I394 WeakPolarHBondContact O-CA 3.31Å; V351-T395 PolarHBondContact O-N 2.88Å
352	G	98.8	Very high	98.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	13%	0.134	C	C	.	.			trans	-137.9	155.3	176.9	0	0	0	0	0	113.2	G354 Y376 Y377 T395	G352-G354 PolarHBondContact O-N 2.99Å; G352-Y376 WeakPolarHBondContact O-CD1 3.44Å; G352-Y377 VanDerWaalsContact C-CD2 3.47Å; G352-Y377 WeakPolarHBondContact O-CD2 3.41Å; G352-T395 WeakPolarHBondContact CA-O 3.21Å
353	P	98.8	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-75.8	-14.4	-175.8	32.1	-36.7	0	0	0	114	R371 Y377 T395 T404 I406 Y429	P353-R371 WeakPolarHBondContact O-CA 3.19Å; P353-R371 WeakPolarHBondContact O-CB 3.45Å; P353-R371 VanDerWaalsContact O-CG 3.32Å; P353-R371 WeakPolarHBondContact O-CG 3.31Å; P353-Y377 HydrophobicContact CB-CD1 4.34Å; P353-Y377 HydrophobicContact CB-CD2 4.28Å; P353-Y377 HydrophobicContact CB-CG 4.04Å; P353-T395 WeakPolarHBondContact CD-O 3.42Å; P353-T404 WeakPolarHBondContact CD-O 3.4Å; P353-T404 WeakPolarHBondContact CG-O 3.46Å; P353-I406 HydrophobicContact CB-CG2 4.35Å; P353-I406 HydrophobicContact CG-CG2 3.92Å; P353-Y429 HydrophobicContact CB-CD1 3.51Å; P353-Y429 HydrophobicContact CB-CE1 3.64Å; P353-Y429 HydrophobicContact CB-CG 4.28Å
354	G	98.8	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.			trans	160.1	-171.9	-177.6	0	0	0	0	0	108.8	G352 R369	G352-G354 PolarHBondContact O-N 2.99Å; G354-R369 WeakPolarHBondContact CA-O 3.31Å
355	Y	98.9	Very high	98	Very high	20 Å²	20	20 Å²	20	8%	0.078	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-152.8	135.4	177.7	-176.7	-89.5	0	0	0	109.9	T321 D357 R361 N364 N367 T368 R369 E402 T404	T321-Y355 WeakPolarHBondContact OG1-CB 3.43Å; Y355-D357 HydrophobicContact CE1-CB 4.12Å; Y355-D357 PolarHBondContact OH-OD2 3.45Å; Y355-R361 PolarHBondContact OH-NH1 2.99Å; Y355-N364 PolarHBondContact OH-ND2 3.22Å; Y355-N367 HydrophobicContact CD1-CB 4.24Å; Y355-N367 WeakPolarHBondContact CD1-O 3.25Å; Y355-N367 HydrophobicContact CE1-CB 4Å; Y355-T368 CarbonylContact O-C 3.5Å; Y355-T368 VanDerWaalsContact O-CA 3.28Å; Y355-T368 WeakPolarHBondContact O-CA 3.41Å; Y355-R369 PolarHBondContact N-O 2.99Å; Y355-R369 PolarHBondContact O-N 3.06Å; Y355-E402 HydrophobicContact CD2-CB 4.18Å; Y355-E402 HydrophobicContact CE2-CB 3.7Å; Y355-E402 HydrophobicContact CE2-CG 4.21Å; Y355-T404 HydrophobicContact CD2-CG2 3.64Å; Y355-T404 HydrophobicContact CE2-CG2 4.37Å
356	I	98.8	Very high	97.8	Very high	23 Å²	23	25.7 Å²	25.7	12%	0.118	12%	0.121	C	C	.	.			trans	-164.8	117.6	168.3	-178.9	171.5	0	0	0	109	N148 F149 T358 T368 E402 G403 L419	N148-I356 HydrophobicContact CB-CD1 4.21Å; N148-I356 HydrophobicContact CB-CG1 4.18Å; N148-I356 HydrophobicContact CB-CG2 3.84Å; N148-I356 WeakPolarHBondContact ND2-CD1 3.26Å; N148-I356 PolarHBondContact OD1-O 3.07Å; F149-I356 HydrophobicContact CD2-CG2 4.36Å; F149-I356 HydrophobicContact CE2-CG2 3.67Å; I356-T358 HydrophobicContact CG1-CG2 4.39Å; I356-T368 HydrophobicContact CB-CG2 4.14Å; I356-T368 HydrophobicContact CD1-CG2 4.33Å; I356-T368 HydrophobicContact CG1-CG2 4.29Å; I356-E402 CarbonylContact C-O 3.45Å; I356-E402 PolarHBondContact N-O 3.5Å; I356-E402 CarbonylContact O-C 3.59Å; I356-G403 PolarHBondContact O-N 3.03Å; I356-L419 HydrophobicContact CD1-CD1 3.8Å; I356-L419 HydrophobicContact CG2-CD1 4.13Å
357	D	98.5	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.			trans	-119.8	13.8	-177.4	69.8	-24.3	0	0	0	113	Y355 S359 I360 R361 N364 H401 E402	Y355-D357 HydrophobicContact CE1-CB 4.12Å; Y355-D357 PolarHBondContact OH-OD2 3.45Å; D357-S359 PolarHBondContact O-N 3.07Å; D357-S359 VanDerWaalsContact O-N 3.08Å; D357-I360 HydrophobicContact CB-CG1 4.47Å; D357-I360 WeakPolarHBondContact O-CG1 3.49Å; D357-I360 PolarHBondContact O-N 2.87Å; D357-R361 PolarHBondContact O-N 3.31Å; D357-R361 WeakPolarHBondContact OD2-CB 3.26Å; D357-R361 WeakPolarHBondContact OD2-CD 3.45Å; D357-R361 IonicContact OD2-CZ 2.76Å; D357-R361 IonicContact OD2-NE 3.9Å; D357-R361 IonicContact OD2-NH1 3.09Å; D357-R361 PolarHBondContact OD2-NH1 3.44Å; D357-N364 WeakPolarHBondContact OD1-CB 3.48Å; D357-N364 PolarHBondContact OD1-ND2 3.1Å; D357-N364 PolarHBondContact OD2-ND2 3.17Å; D357-H401 VanDerWaalsContact CA-O 3.26Å; D357-H401 WeakPolarHBondContact CA-O 3.5Å; D357-H401 WeakPolarHBondContact CB-O 3.28Å; D357-E402 HydrophobicContact CB-CB 4.48Å; D357-E402 HydrophobicContact CB-CG 4.44Å
358	T	97.9	Very high	97.7	Very high	39 Å²	39	27 Å²	27	24%	0.239	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14	-170.1	55.5	0	0	0	0	114.2	N148 I356 I360 P362 F365	N148-T358 PolarHBondContact ND2-OG1 3.46Å; N148-T358 PolarHBondContact OD1-N 3.07Å; I356-T358 HydrophobicContact CG1-CG2 4.39Å; T358-I360 VanDerWaalsContact C-N 3.33Å; T358-P362 WeakPolarHBondContact O-CA 3.21Å; T358-F365 HydrophobicContact CG2-CB 4.02Å
359	S	97.2	Very high	97.7	Very high	16 Å²	16	30.4 Å²	30.4	11%	0.112	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-43.5	167.7	52.6	0	0	0	0	111.4	H139 A147 N148 D357	H139-S359 PolarHBondContact NE2-O 3.29Å; H139-S359 VanDerWaalsContact NE2-O 3.07Å; A147-S359 WeakPolarHBondContact CA-OG 3.36Å; A147-S359 PolarHBondContact N-OG 3.16Å; N148-S359 WeakPolarHBondContact OD1-CB 3.48Å; N148-S359 PolarHBondContact OD1-N 3.09Å; N148-S359 PolarHBondContact OD1-OG 3.33Å; D357-S359 PolarHBondContact O-N 3.07Å; D357-S359 VanDerWaalsContact O-N 3.08Å
360	I	97.6	Very high	97.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-22.6	-178.5	61.1	147.3	0	0	0	114	H120 L123 D357 T358 H401	H120-I360 HydrophobicContact CB-CG2 3.7Å; H120-I360 WeakPolarHBondContact ND1-CG2 3.47Å; L123-I360 WeakPolarHBondContact CB-O 3.43Å; L123-I360 HydrophobicContact CD1-CD1 4.43Å; L123-I360 PolarHBondContact N-O 2.9Å; D357-I360 HydrophobicContact CB-CG1 4.47Å; D357-I360 WeakPolarHBondContact O-CG1 3.49Å; D357-I360 PolarHBondContact O-N 2.87Å; T358-I360 VanDerWaalsContact C-N 3.33Å; I360-H401 HydrophobicContact CD1-CB 3.69Å; I360-H401 HydrophobicContact CG1-CB 4.19Å
361	R	97.8	Very high	97.7	Very high	53 Å²	53	36.8 Å²	36.8	20%	0.2	18%	0.175	C	C	.	.			trans	-127.4	75	175.5	-52.7	-169.2	-162.7	101.1	-2.9	110	L123 Y355 D357 W363 N364 E402	L123-R361 HydrophobicContact CB-CG 4.33Å; L123-R361 HydrophobicContact CD1-CG 4.05Å; Y355-R361 PolarHBondContact OH-NH1 2.99Å; D357-R361 PolarHBondContact O-N 3.31Å; D357-R361 WeakPolarHBondContact OD2-CB 3.26Å; D357-R361 WeakPolarHBondContact OD2-CD 3.45Å; D357-R361 IonicContact OD2-CZ 2.76Å; D357-R361 IonicContact OD2-NE 3.9Å; D357-R361 IonicContact OD2-NH1 3.09Å; D357-R361 PolarHBondContact OD2-NH1 3.44Å; R361-W363 HydrophobicContact CB-CZ2 4.17Å; R361-W363 HydrophobicContact CG-CZ2 4.27Å; R361-W363 PolarHBondContact O-N 3.37Å; R361-N364 HydrophobicContact CB-CB 3.84Å; R361-N364 WeakPolarHBondContact O-CB 3.38Å; R361-N364 PolarHBondContact O-N 3.09Å; R361-E402 IonicContact CZ-OE1 3.52Å; R361-E402 IonicContact NH1-OE1 3.67Å; R361-E402 PolarHBondContact NH1-OE1 3.26Å; R361-E402 IonicContact NH2-OE1 2.78Å; R361-E402 PolarHBondContact NH2-OE1 3.09Å
362	P	96.2	Very high	97.6	Very high	20 Å²	20	42 Å²	42	13%	0.13	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.8	-174.3	-26.9	34.6	0	0	0	114.8	L122 Y134 P135 T358	L122-P362 HydrophobicContact CD2-CG 3.88Å; Y134-P362 HydrophobicContact CD1-CB 3.52Å; Y134-P362 HydrophobicContact CE1-CB 4.16Å; Y134-P362 WeakPolarHBondContact CE1-O 3.38Å; Y134-P362 HydrophobicContact CG-CB 4.18Å; P135-P362 HydrophobicContact CG-CB 4.5Å; P135-P362 HydrophobicContact CG-CG 4.15Å; T358-P362 WeakPolarHBondContact O-CA 3.21Å
363	W	96.4	Very high	97.6	Very high	57 Å²	57	46.4 Å²	46.4	22%	0.216	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9	179.8	47.6	-93.6	0	0	0	114.8	L123 H125 Y134 R361 F365	L123-W363 PolarHBondContact O-NE1 3.36Å; H125-W363 HydrophobicContact CB-CB 4.43Å; H125-W363 HydrophobicContact CB-CD2 4.2Å; H125-W363 HydrophobicContact CB-CG 3.9Å; H125-W363 AromaticContact CD2-CD2 3.63Å; H125-W363 AromaticContact CD2-CE3 3.65Å; H125-W363 AromaticContact CD2-CG 3.8Å; Y134-W363 HydrophobicContact CD2-CB 3.83Å; Y134-W363 HydrophobicContact CE1-CB 4.11Å; Y134-W363 HydrophobicContact CE2-CB 3.41Å; Y134-W363 VanDerWaalsContact CE2-CB 3.41Å; Y134-W363 HydrophobicContact CG-CB 4.36Å; Y134-W363 VanDerWaalsContact CZ-CA 3.45Å; R361-W363 HydrophobicContact CB-CZ2 4.17Å; R361-W363 HydrophobicContact CG-CZ2 4.27Å; R361-W363 PolarHBondContact O-N 3.37Å; W363-F365 PolarHBondContact O-N 2.8Å
364	N	96.4	Very high	97.5	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	23%	0.226	C	C	.	.			trans	-95.5	16.1	-170.3	-162.8	34.1	0	0	0	114.4	Y355 D357 R361 Q366 N367	Y355-N364 PolarHBondContact OH-ND2 3.22Å; D357-N364 WeakPolarHBondContact OD1-CB 3.48Å; D357-N364 PolarHBondContact OD1-ND2 3.1Å; D357-N364 PolarHBondContact OD2-ND2 3.17Å; R361-N364 HydrophobicContact CB-CB 3.84Å; R361-N364 WeakPolarHBondContact O-CB 3.38Å; R361-N364 PolarHBondContact O-N 3.09Å; N364-Q366 PolarHBondContact O-N 2.73Å; N364-N367 PolarHBondContact O-N 2.61Å; N364-N367 PolarHBondContact OD1-ND2 3.44Å
365	F	94.4	Very high	97.5	Very high	131 Å²	131	52 Å²	52	58%	0.575	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-56.6	-24.5	-174.9	68.1	-90.4	0	0	0	114.9	T358 W363 N367 T368	T358-F365 HydrophobicContact CG2-CB 4.02Å; W363-F365 PolarHBondContact O-N 2.8Å; F365-N367 PolarHBondContact O-N 2.86Å; F365-T368 VanDerWaalsContact O-CB 3.24Å; F365-T368 WeakPolarHBondContact O-CB 3.45Å; F365-T368 PolarHBondContact O-N 3.39Å; F365-T368 VanDerWaalsContact O-N 3.11Å; F365-T368 PolarHBondContact O-OG1 3.01Å
366	Q	95.4	Very high	97.5	Very high	138 Å²	138	52.1 Å²	52.1	65%	0.645	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-60.6	-26.3	176.5	64.9	-175.9	2.8	0	0	113.4	N364 R369	N364-Q366 PolarHBondContact O-N 2.73Å; Q366-R369 PolarHBondContact O-NH1 3.06Å; Q366-R369 VanDerWaalsContact O-NH1 3.14Å
367	N	96.1	Very high	97.5	Very high	20 Å²	20	51 Å²	51	11%	0.107	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-90.4	-4.8	179.9	-71.9	-44.4	0	0	0	112.9	T321 F324 Y355 N364 F365 R369	T321-N367 HydrophobicContact CG2-CB 4.36Å; T321-N367 VanDerWaalsContact CG2-O 3.31Å; T321-N367 WeakPolarHBondContact CG2-O 3.45Å; T321-N367 PolarHBondContact OG1-O 2.78Å; T321-N367 VanDerWaalsContact OG1-O 3.11Å; F324-N367 WeakPolarHBondContact CD2-OD1 3.1Å; Y355-N367 HydrophobicContact CD1-CB 4.24Å; Y355-N367 WeakPolarHBondContact CD1-O 3.25Å; Y355-N367 HydrophobicContact CE1-CB 4Å; N364-N367 PolarHBondContact O-N 2.61Å; N364-N367 PolarHBondContact OD1-ND2 3.44Å; F365-N367 PolarHBondContact O-N 2.86Å; N367-R369 PolarHBondContact O-N 3.37Å
368	T	98.4	Very high	97.5	Very high	33 Å²	33	52.6 Å²	52.6	20%	0.202	25%	0.252	C	S	.	.			trans	-58.5	136	176.4	-64.7	0	0	0	0	111.3	Y355 I356 F365	Y355-T368 CarbonylContact O-C 3.5Å; Y355-T368 VanDerWaalsContact O-CA 3.28Å; Y355-T368 WeakPolarHBondContact O-CA 3.41Å; I356-T368 HydrophobicContact CB-CG2 4.14Å; I356-T368 HydrophobicContact CD1-CG2 4.33Å; I356-T368 HydrophobicContact CG1-CG2 4.29Å; F365-T368 VanDerWaalsContact O-CB 3.24Å; F365-T368 WeakPolarHBondContact O-CB 3.45Å; F365-T368 PolarHBondContact O-N 3.39Å; F365-T368 VanDerWaalsContact O-N 3.11Å; F365-T368 PolarHBondContact O-OG1 3.01Å
369	R	98.6	Very high	97.6	Very high	70 Å²	70	56.6 Å²	56.6	26%	0.264	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-132.4	109.5	174.1	-63.3	-66.1	-178.8	-86.2	-3.3	108.3	T321 N322 G354 Y355 Q366 N367 Y376	T321-R369 HydrophobicContact CG2-CG 3.87Å; N322-R369 PolarHBondContact O-NE 3.44Å; N322-R369 PolarHBondContact O-NH2 2.89Å; N322-R369 VanDerWaalsContact O-NH2 3.08Å; G354-R369 WeakPolarHBondContact CA-O 3.31Å; Y355-R369 PolarHBondContact N-O 2.99Å; Y355-R369 PolarHBondContact O-N 3.06Å; Q366-R369 PolarHBondContact O-NH1 3.06Å; Q366-R369 VanDerWaalsContact O-NH1 3.14Å; N367-R369 PolarHBondContact O-N 3.37Å; R369-Y376 HydrophobicContact CB-CD2 4.26Å; R369-Y376 HydrophobicContact CB-CE1 4.2Å; R369-Y376 HydrophobicContact CB-CE2 3.72Å; R369-Y376 HydrophobicContact CG-CE2 3.91Å; R369-Y376 WeakPolarHBondContact CG-OH 3.04Å
370	N	98.5	Very high	97.6	Very high	117 Å²	117	55.8 Å²	55.8	63%	0.626	26%	0.264	S	S	*	.			trans	-61.1	142.5	176.2	-67.1	-17.7	0	0	0	109.8	I372	N370-I372 HydrophobicContact CB-CG1 4.12Å; N370-I372 PolarHBondContact O-N 2.76Å
371	R	98.7	Very high	97.7	Very high	19 Å²	19	55.9 Å²	55.9	7%	0.072	27%	0.265	C	S	.	.			trans	-72.4	-18.3	-178.7	-51.9	-164.5	173	-157	-5	113.6	F149 P353 N373 G374 K375 Y376 G403 Q405 Y421 Y429	F149-R371 HydrophobicContact CZ-CG 4.49Å; P353-R371 WeakPolarHBondContact O-CA 3.19Å; P353-R371 WeakPolarHBondContact O-CB 3.45Å; P353-R371 VanDerWaalsContact O-CG 3.32Å; P353-R371 WeakPolarHBondContact O-CG 3.31Å; R371-N373 VanDerWaalsContact C-N 3.28Å; R371-N373 PolarHBondContact O-N 2.8Å; R371-G374 CarbonylContact O-C 3.53Å; R371-G374 PolarHBondContact O-N 2.94Å; R371-K375 PolarHBondContact O-N 3.23Å; R371-Y376 PolarHBondContact O-N 2.88Å; R371-G403 PolarHBondContact NH2-O 3.32Å; R371-Q405 VanDerWaalsContact CZ-O 3.27Å; R371-Q405 PolarHBondContact NH1-O 2.7Å; R371-Q405 PolarHBondContact NH2-O 2.81Å; R371-Y421 VanDerWaalsContact NH1-CE1 3.26Å; R371-Y421 VanDerWaalsContact NH1-CZ 3.33Å; R371-Y421 PolarHBondContact NH1-OH 2.85Å; R371-Y421 VanDerWaalsContact NH1-OH 3.1Å; R371-Y429 HydrophobicContact CB-CE1 4.39Å; R371-Y429 WeakPolarHBondContact CB-OH 3.44Å; R371-Y429 WeakPolarHBondContact CD-OH 3.33Å; R371-Y429 VanDerWaalsContact NH1-CD2 3.33Å
372	I	98.3	Very high	97.7	Very high	110 Å²	110	54.9 Å²	54.9	56%	0.564	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	44.7	52.9	179.6	-46.6	173.1	0	0	0	110.7	N370 G374 K375	N370-I372 HydrophobicContact CB-CG1 4.12Å; N370-I372 PolarHBondContact O-N 2.76Å; I372-G374 PolarHBondContact O-N 3.35Å; I372-G374 VanDerWaalsContact O-N 3.09Å; I372-K375 HydrophobicContact CB-CB 4.25Å; I372-K375 HydrophobicContact CG2-CB 4.22Å; I372-K375 WeakPolarHBondContact O-CB 3.43Å; I372-K375 PolarHBondContact O-N 3.32Å
373	N	97.3	Very high	97.8	Very high	94 Å²	94	54.8 Å²	54.8	50%	0.503	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	50.7	37.4	-179.9	-62.9	-19.3	0	0	0	114	R371	R371-N373 VanDerWaalsContact C-N 3.28Å; R371-N373 PolarHBondContact O-N 2.8Å
374	G	97.7	Very high	97.9	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.021	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	95.1	-12.6	178.8	0	0	0	0	0	114.8	R371 I372 Y376 Y377 E378	R371-G374 CarbonylContact O-C 3.53Å; R371-G374 PolarHBondContact O-N 2.94Å; I372-G374 PolarHBondContact O-N 3.35Å; I372-G374 VanDerWaalsContact O-N 3.09Å; G374-Y376 VanDerWaalsContact C-N 3.33Å; G374-Y376 PolarHBondContact O-N 2.78Å; G374-Y377 WeakPolarHBondContact O-CB 3.1Å; G374-Y377 PolarHBondContact O-N 3.37Å; G374-Y377 VanDerWaalsContact O-N 3.1Å; G374-E378 PolarHBondContact O-N 3.25Å
375	K	98.6	Very high	98	Very high	116 Å²	116	52.5 Å²	52.5	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-36.7	-177.8	-69.6	-67.7	167.4	-155.3	0	113.5	R371 I372 Y377 E378 M379	R371-K375 PolarHBondContact O-N 3.23Å; I372-K375 HydrophobicContact CB-CB 4.25Å; I372-K375 HydrophobicContact CG2-CB 4.22Å; I372-K375 WeakPolarHBondContact O-CB 3.43Å; I372-K375 PolarHBondContact O-N 3.32Å; K375-Y377 VanDerWaalsContact C-N 3.27Å; K375-Y377 PolarHBondContact O-N 3.17Å; K375-E378 IonicContact NZ-OE2 2.81Å; K375-E378 PolarHBondContact NZ-OE2 3.23Å; K375-E378 PolarHBondContact O-N 2.79Å; K375-M379 WeakPolarHBondContact O-CB 3.35Å; K375-M379 VanDerWaalsContact O-CG 3.24Å; K375-M379 WeakPolarHBondContact O-CG 3.26Å; K375-M379 PolarHBondContact O-N 3.03Å
376	Y	98.8	Very high	98.1	Very high	23 Å²	23	53.3 Å²	53.3	9%	0.09	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-43.6	174.2	-173.6	-92.2	0	0	0	111.5	A320 N322 G352 R369 R371 G374 M379 A380	A320-Y376 WeakPolarHBondContact O-CE1 2.97Å; A320-Y376 PolarHBondContact O-OH 3.32Å; N322-Y376 WeakPolarHBondContact CB-OH 3.37Å; N322-Y376 PolarHBondContact N-OH 3.32Å; G352-Y376 WeakPolarHBondContact O-CD1 3.44Å; R369-Y376 HydrophobicContact CB-CD2 4.26Å; R369-Y376 HydrophobicContact CB-CE1 4.2Å; R369-Y376 HydrophobicContact CB-CE2 3.72Å; R369-Y376 HydrophobicContact CG-CE2 3.91Å; R369-Y376 WeakPolarHBondContact CG-OH 3.04Å; R371-Y376 PolarHBondContact O-N 2.88Å; G374-Y376 VanDerWaalsContact C-N 3.33Å; G374-Y376 PolarHBondContact O-N 2.78Å; Y376-M379 PolarHBondContact O-N 3.2Å; Y376-A380 PolarHBondContact O-N 2.95Å
377	Y	98.9	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-47.1	179.9	-163.2	-152.1	0	0	0	112.4	V351 G352 P353 G374 K375 M379 A380 L381 I394 I406 Y429 V432 T433	V351-Y377 HydrophobicContact CB-CE2 4.32Å; V351-Y377 HydrophobicContact CG2-CE2 3.9Å; G352-Y377 VanDerWaalsContact C-CD2 3.47Å; G352-Y377 WeakPolarHBondContact O-CD2 3.41Å; P353-Y377 HydrophobicContact CB-CD1 4.34Å; P353-Y377 HydrophobicContact CB-CD2 4.28Å; P353-Y377 HydrophobicContact CB-CG 4.04Å; G374-Y377 WeakPolarHBondContact O-CB 3.1Å; G374-Y377 PolarHBondContact O-N 3.37Å; G374-Y377 VanDerWaalsContact O-N 3.1Å; K375-Y377 VanDerWaalsContact C-N 3.27Å; K375-Y377 PolarHBondContact O-N 3.17Å; Y377-M379 VanDerWaalsContact C-N 3.26Å; Y377-M379 PolarHBondContact O-N 3.33Å; Y377-A380 PolarHBondContact O-N 2.96Å; Y377-A380 VanDerWaalsContact O-N 3.15Å; Y377-L381 HydrophobicContact CD1-CD1 3.88Å; Y377-L381 HydrophobicContact CD2-CD1 3.9Å; Y377-L381 HydrophobicContact CD2-CG 4.24Å; Y377-L381 HydrophobicContact CE1-CD1 3.79Å; Y377-L381 HydrophobicContact CE2-CD1 3.83Å; Y377-L381 HydrophobicContact CE2-CD2 4.45Å; Y377-L381 HydrophobicContact CE2-CG 4.08Å; Y377-L381 HydrophobicContact CG-CD1 3.92Å; Y377-L381 WeakPolarHBondContact O-CG 3.46Å; Y377-L381 PolarHBondContact O-N 3.33Å; Y377-I394 HydrophobicContact CE2-CG2 4.46Å; Y377-I394 WeakPolarHBondContact OH-CD1 3.4Å; Y377-I394 WeakPolarHBondContact OH-CG2 3.48Å; Y377-I406 HydrophobicContact CE1-CG2 4.25Å; Y377-Y429 HydrophobicContact CD1-CD1 4.01Å; Y377-V432 HydrophobicContact CD1-CB 4.06Å; Y377-V432 HydrophobicContact CD1-CG1 3.51Å; Y377-V432 HydrophobicContact CE1-CB 4.34Å; Y377-V432 HydrophobicContact CE1-CG1 3.98Å; Y377-V432 HydrophobicContact CG-CG1 4.39Å; Y377-T433 WeakPolarHBondContact CE1-OG1 3.47Å; Y377-T433 PolarHBondContact OH-OG1 2.92Å
378	E	98.8	Very high	98.3	Very high	32 Å²	32	47.1 Å²	47.1	15%	0.15	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-37.1	178.4	-67.1	-160.7	107.4	0	0	111.6	G374 K375 L381 S382 V432 K435 W436	G374-E378 PolarHBondContact O-N 3.25Å; K375-E378 IonicContact NZ-OE2 2.81Å; K375-E378 PolarHBondContact NZ-OE2 3.23Å; K375-E378 PolarHBondContact O-N 2.79Å; E378-L381 PolarHBondContact O-N 3.42Å; E378-S382 WeakPolarHBondContact O-CB 3.4Å; E378-S382 PolarHBondContact O-N 3.23Å; E378-V432 HydrophobicContact CG-CG1 3.91Å; E378-K435 IonicContact OE1-NZ 2.89Å; E378-K435 PolarHBondContact OE1-NZ 3.27Å; E378-W436 HydrophobicContact CB-CZ2 4.17Å; E378-W436 WeakPolarHBondContact O-CZ2 3.49Å; E378-W436 PolarHBondContact OE1-NE1 2.85Å
379	M	98.8	Very high	98.2	Very high	123 Å²	123	45.5 Å²	45.5	61%	0.606	23%	0.231	S	C	*	.	H	α-helix	trans	-64.1	-41.8	175.1	-73.1	172.5	65.2	0	0	112.3	K375 Y376 Y377 A383	K375-M379 WeakPolarHBondContact O-CB 3.35Å; K375-M379 VanDerWaalsContact O-CG 3.24Å; K375-M379 WeakPolarHBondContact O-CG 3.26Å; K375-M379 PolarHBondContact O-N 3.03Å; Y376-M379 PolarHBondContact O-N 3.2Å; Y377-M379 VanDerWaalsContact C-N 3.26Å; Y377-M379 PolarHBondContact O-N 3.33Å; M379-A383 WeakPolarHBondContact O-CB 3.32Å; M379-A383 PolarHBondContact O-N 3.08Å
380	A	98.7	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-43.6	176.1	0	0	0	0	0	111.4	H330 W333 V351 Y376 Y377 A383 A384	H330-A380 VanDerWaalsContact CE1-CA 3.49Å; H330-A380 WeakPolarHBondContact CE1-CA 3.43Å; W333-A380 WeakPolarHBondContact CZ3-O 3.21Å; V351-A380 HydrophobicContact CB-CB 3.88Å; V351-A380 HydrophobicContact CG1-CB 3.9Å; V351-A380 WeakPolarHBondContact CG1-O 3.29Å; Y376-A380 PolarHBondContact O-N 2.95Å; Y377-A380 PolarHBondContact O-N 2.96Å; Y377-A380 VanDerWaalsContact O-N 3.15Å; A380-A383 PolarHBondContact O-N 2.78Å; A380-A384 PolarHBondContact O-N 2.78Å
381	L	98.8	Very high	98.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-40.6	177.3	-72.6	158.1	0	0	0	112.3	V351 Y377 E378 A384 L385 I392 V432 W436	V351-L381 HydrophobicContact CG2-CD2 3.76Å; V351-L381 HydrophobicContact CG2-CG 4.24Å; Y377-L381 HydrophobicContact CD1-CD1 3.88Å; Y377-L381 HydrophobicContact CD2-CD1 3.9Å; Y377-L381 HydrophobicContact CD2-CG 4.24Å; Y377-L381 HydrophobicContact CE1-CD1 3.79Å; Y377-L381 HydrophobicContact CE2-CD1 3.83Å; Y377-L381 HydrophobicContact CE2-CD2 4.45Å; Y377-L381 HydrophobicContact CE2-CG 4.08Å; Y377-L381 HydrophobicContact CG-CD1 3.92Å; Y377-L381 WeakPolarHBondContact O-CG 3.46Å; Y377-L381 PolarHBondContact O-N 3.33Å; E378-L381 PolarHBondContact O-N 3.42Å; L381-A384 PolarHBondContact O-N 3.07Å; L381-L385 PolarHBondContact O-N 3.33Å; L381-L385 VanDerWaalsContact O-N 3.09Å; L381-I392 HydrophobicContact CD2-CG2 4.31Å; L381-V432 HydrophobicContact CD1-CG1 4.01Å; L381-W436 HydrophobicContact CB-CB 4.2Å; L381-W436 HydrophobicContact CB-CD2 3.46Å; L381-W436 VanDerWaalsContact CB-CD2 3.46Å; L381-W436 HydrophobicContact CB-CE3 3.7Å; L381-W436 HydrophobicContact CB-CG 3.7Å; L381-W436 HydrophobicContact CB-CZ2 4.39Å; L381-W436 HydrophobicContact CB-CZ3 4.27Å; L381-W436 HydrophobicContact CD1-CB 3.84Å; L381-W436 VanDerWaalsContact CD1-CD1 3.49Å; L381-W436 HydrophobicContact CD1-CD2 4.23Å; L381-W436 HydrophobicContact CD1-CG 3.57Å; L381-W436 HydrophobicContact CD2-CB 3.98Å; L381-W436 HydrophobicContact CD2-CG 4.36Å; L381-W436 HydrophobicContact CG-CB 4.24Å; L381-W436 HydrophobicContact CG-CD2 4.36Å; L381-W436 HydrophobicContact CG-CG 4.08Å
382	S	98.6	Very high	98.2	Very high	32 Å²	32	37.8 Å²	37.8	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-49.7	173.9	-153.9	0	0	0	0	111.5	E378 A384 L385 E386 W436	E378-S382 WeakPolarHBondContact O-CB 3.4Å; E378-S382 PolarHBondContact O-N 3.23Å; S382-A384 VanDerWaalsContact C-N 3.29Å; S382-A384 PolarHBondContact O-N 3.08Å; S382-L385 WeakPolarHBondContact O-CB 3.35Å; S382-L385 PolarHBondContact O-N 3.43Å; S382-E386 WeakPolarHBondContact O-CB 3.32Å; S382-E386 VanDerWaalsContact O-CG 3.31Å; S382-E386 WeakPolarHBondContact O-CG 3.41Å; S382-E386 PolarHBondContact O-N 2.98Å; S382-E386 PolarHBondContact OG-OE1 2.88Å; S382-W436 VanDerWaalsContact CA-CZ3 3.45Å; S382-W436 VanDerWaalsContact CB-CH2 3.41Å
383	A	98.6	Very high	98.2	Very high	18 Å²	18	32.6 Å²	32.6	15%	0.149	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-36.6	-179.4	0	0	0	0	0	112.4	H330 W333 M379 A380 A387	H330-A383 HydrophobicContact CB-CB 3.94Å; W333-A383 HydrophobicContact CE3-CB 3.85Å; W333-A383 HydrophobicContact CZ3-CB 3.8Å; M379-A383 WeakPolarHBondContact O-CB 3.32Å; M379-A383 PolarHBondContact O-N 3.08Å; A380-A383 PolarHBondContact O-N 2.78Å; A383-A387 WeakPolarHBondContact O-CB 3.35Å; A383-A387 PolarHBondContact O-N 3.47Å
384	A	98.6	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.5	0	0	0	0	0	111.6	W333 P349 V351 A380 L381 S382 A389 I392	W333-A384 HydrophobicContact CE3-CB 4.25Å; W333-A384 HydrophobicContact CZ3-CB 3.78Å; P349-A384 HydrophobicContact CB-CB 4.21Å; P349-A384 HydrophobicContact CG-CB 3.74Å; V351-A384 HydrophobicContact CG1-CB 3.88Å; A380-A384 PolarHBondContact O-N 2.78Å; L381-A384 PolarHBondContact O-N 3.07Å; S382-A384 VanDerWaalsContact C-N 3.29Å; S382-A384 PolarHBondContact O-N 3.08Å; A384-A389 VanDerWaalsContact O-CB 3.22Å; A384-A389 WeakPolarHBondContact O-CB 3.37Å; A384-A389 PolarHBondContact O-N 3.04Å; A384-I392 HydrophobicContact CB-CD1 4.12Å; A384-I392 HydrophobicContact CB-CG1 4.21Å
385	L	97.6	Very high	98.3	Very high	21 Å²	21	28 Å²	28	11%	0.11	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-50.4	175.5	177.7	69.4	0	0	0	111.6	L381 S382 A387 G388 W436 I439 F440 E443	L381-L385 PolarHBondContact O-N 3.33Å; L381-L385 VanDerWaalsContact O-N 3.09Å; S382-L385 WeakPolarHBondContact O-CB 3.35Å; S382-L385 PolarHBondContact O-N 3.43Å; L385-A387 VanDerWaalsContact C-N 3.27Å; L385-A387 PolarHBondContact O-N 2.99Å; L385-G388 PolarHBondContact O-N 3.07Å; L385-G388 VanDerWaalsContact O-N 3.09Å; L385-W436 HydrophobicContact CD2-CZ3 3.99Å; L385-I439 HydrophobicContact CD2-CG2 3.61Å; L385-F440 HydrophobicContact CD1-CB 4.49Å; L385-F440 HydrophobicContact CD1-CD2 3.74Å; L385-E443 HydrophobicContact CD1-CB 3.87Å; L385-E443 HydrophobicContact CD1-CG 3.98Å; L385-E443 HydrophobicContact CD2-CG 4.21Å
386	E	97.3	Very high	98.4	Very high	148 Å²	148	22.5 Å²	22.5	69%	0.692	12%	0.121	S	C	*	.	H	α-helix	trans	-60.4	-36.5	179.7	-73.1	162.7	-151.9	0	0	112	S382 G388	S382-E386 WeakPolarHBondContact O-CB 3.32Å; S382-E386 VanDerWaalsContact O-CG 3.31Å; S382-E386 WeakPolarHBondContact O-CG 3.41Å; S382-E386 PolarHBondContact O-N 2.98Å; S382-E386 PolarHBondContact OG-OE1 2.88Å; E386-G388 PolarHBondContact O-N 2.97Å
387	A	97.6	Very high	98.4	Very high	11 Å²	11	21.4 Å²	21.4	9%	0.091	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3.1	177.2	0	0	0	0	0	114.4	W333 K337 F347 A383 L385	W333-A387 HydrophobicContact CB-CB 3.62Å; K337-A387 WeakPolarHBondContact CB-O 3.44Å; K337-A387 WeakPolarHBondContact CG-O 3.49Å; F347-A387 HydrophobicContact CE1-CB 4.15Å; A383-A387 WeakPolarHBondContact O-CB 3.35Å; A383-A387 PolarHBondContact O-N 3.47Å; L385-A387 VanDerWaalsContact C-N 3.27Å; L385-A387 PolarHBondContact O-N 2.99Å
388	G	96.7	Very high	98.4	Very high	16 Å²	16	21.4 Å²	21.4	17%	0.165	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	33.7	176.2	0	0	0	0	0	114.6	K337 L385 E386 D390	K337-G388 WeakPolarHBondContact CD-O 3.46Å; K337-G388 WeakPolarHBondContact CE-O 3.45Å; K337-G388 PolarHBondContact NZ-O 3.32Å; L385-G388 PolarHBondContact O-N 3.07Å; L385-G388 VanDerWaalsContact O-N 3.09Å; E386-G388 PolarHBondContact O-N 2.97Å; G388-D390 PolarHBondContact O-N 2.98Å
389	A	97.7	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.			trans	-52.3	134.6	179.8	0	0	0	0	0	113.2	P349 A384 I392 F440	P349-A389 HydrophobicContact CG-CB 3.5Å; A384-A389 VanDerWaalsContact O-CB 3.22Å; A384-A389 WeakPolarHBondContact O-CB 3.37Å; A384-A389 PolarHBondContact O-N 3.04Å; A389-I392 HydrophobicContact CB-CG1 3.98Å; A389-F440 HydrophobicContact CB-CE2 4.19Å; A389-F440 WeakPolarHBondContact O-CE2 3.35Å; A389-F440 WeakPolarHBondContact O-CZ 3.18Å
390	D	96.9	Very high	98.4	Very high	40 Å²	40	14.4 Å²	14.4	21%	0.214	8%	0.082	C	C	.	.	S	Bend	trans	-77.1	-42.2	173.8	-60.6	-61.5	0	0	0	110.5	K337 L346 F347 G388 R444	K337-D390 IonicContact NZ-OD1 2.85Å; K337-D390 PolarHBondContact NZ-OD1 2.95Å; K337-D390 IonicContact NZ-OD2 3.5Å; K337-D390 PolarHBondContact NZ-OD2 3.39Å; L346-D390 HydrophobicContact CD2-CB 3.93Å; F347-D390 PolarHBondContact N-OD2 3.37Å; F347-D390 PolarHBondContact O-N 2.9Å; G388-D390 PolarHBondContact O-N 2.98Å; D390-R444 PolarHBondContact O-NH1 3.44Å
391	I	98.5	Very high	98.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-136.7	142.5	175.9	-61.1	176.7	0	0	0	106.6	N97 H99 L259 I348 P349	N97-I391 WeakPolarHBondContact O-CA 3.28Å; N97-I391 VanDerWaalsContact O-CG2 3.3Å; N97-I391 WeakPolarHBondContact O-CG2 3.39Å; H99-I391 HydrophobicContact CB-CG2 4.4Å; L259-I391 HydrophobicContact CD1-CD1 4.27Å; I348-I391 WeakPolarHBondContact CA-O 3.27Å; I348-I391 HydrophobicContact CB-CB 4.46Å; I348-I391 HydrophobicContact CD1-CB 4.13Å; I348-I391 HydrophobicContact CD1-CD1 3.93Å; I348-I391 HydrophobicContact CD1-CG1 4.47Å; I348-I391 HydrophobicContact CG1-CB 4.03Å; I348-I391 HydrophobicContact CG2-CB 3.91Å; I348-I391 HydrophobicContact CG2-CG2 3.88Å; I348-I391 WeakPolarHBondContact CG2-O 3.26Å; P349-I391 WeakPolarHBondContact CD-O 3.49Å
392	I	98.9	Very high	98.4	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.5	168.9	-62.3	176.4	0	0	0	107.9	N97 I98 H99 V351 L381 A384 A389 F440	N97-I392 PolarHBondContact O-N 3.1Å; I98-I392 WeakPolarHBondContact CA-O 3.2Å; I98-I392 HydrophobicContact CD1-CB 3.87Å; I98-I392 HydrophobicContact CD1-CD1 4.34Å; I98-I392 HydrophobicContact CD1-CG1 4.44Å; H99-I392 PolarHBondContact N-O 3.11Å; V351-I392 HydrophobicContact CG1-CG2 4.25Å; V351-I392 HydrophobicContact CG2-CG2 3.6Å; L381-I392 HydrophobicContact CD2-CG2 4.31Å; A384-I392 HydrophobicContact CB-CD1 4.12Å; A384-I392 HydrophobicContact CB-CG1 4.21Å; A389-I392 HydrophobicContact CB-CG1 3.98Å; I392-F440 HydrophobicContact CD1-CB 4.43Å; I392-F440 HydrophobicContact CD1-CD1 4.37Å; I392-F440 HydrophobicContact CD1-CD2 3.68Å; I392-F440 HydrophobicContact CD1-CE2 3.94Å; I392-F440 HydrophobicContact CD1-CG 3.92Å; I392-F440 HydrophobicContact CD1-CZ 4.36Å; I392-F440 HydrophobicContact CG1-CD2 4.29Å; I392-F440 HydrophobicContact CG1-CE1 4.4Å; I392-F440 HydrophobicContact CG1-CE2 4.04Å; I392-F440 HydrophobicContact CG1-CZ 4.09Å
393	S	98.9	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.5	170.5	56.6	0	0	0	0	110.2	H99 P349 S350 V351	H99-S393 CarbonylContact O-C 3.59Å; H99-S393 WeakPolarHBondContact O-CA 3.43Å; P349-S393 PolarHBondContact O-N 3.22Å; P349-S393 PolarHBondContact O-OG 3.14Å; S350-S393 CarbonylContact C-O 3.13Å; S350-S393 VanDerWaalsContact CA-O 3.25Å; S350-S393 WeakPolarHBondContact CA-O 3.32Å; S350-S393 VanDerWaalsContact CA-OG 3.25Å; S350-S393 WeakPolarHBondContact CA-OG 3.26Å; S350-S393 WeakPolarHBondContact CB-OG 3.44Å; S350-S393 PolarHBondContact OG-OG 3.29Å; V351-S393 WeakPolarHBondContact CG2-O 3.49Å; V351-S393 PolarHBondContact N-O 3.45Å
394	I	99	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.7	179.6	-57.8	165.5	0	0	0	108.2	I98 H99 A100 F101 I176 V351 Y377 S396 I406 T433	I98-I394 HydrophobicContact CG2-CD1 3.57Å; I98-I394 HydrophobicContact CG2-CG1 4.28Å; H99-I394 PolarHBondContact O-N 2.69Å; A100-I394 HydrophobicContact CB-CB 4.2Å; F101-I394 WeakPolarHBondContact CD2-O 3.43Å; F101-I394 PolarHBondContact N-O 3.25Å; I176-I394 HydrophobicContact CD1-CD1 4Å; I176-I394 HydrophobicContact CG1-CD1 4.08Å; V351-I394 HydrophobicContact CG2-CG1 4.16Å; V351-I394 CarbonylContact O-C 3.05Å; V351-I394 WeakPolarHBondContact O-CA 3.31Å; Y377-I394 HydrophobicContact CE2-CG2 4.46Å; Y377-I394 WeakPolarHBondContact OH-CD1 3.4Å; Y377-I394 WeakPolarHBondContact OH-CG2 3.48Å; I394-S396 WeakPolarHBondContact O-CA 3.26Å; I394-I406 HydrophobicContact CD1-CD1 4.3Å; I394-I406 HydrophobicContact CG2-CD1 4.13Å; I394-I406 HydrophobicContact CG2-CG2 4.13Å; I394-T433 HydrophobicContact CD1-CG2 3.4Å
395	T	98.9	Very high	98.4	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.069	C	C	.	.	S	Bend	trans	-104.9	94.1	170	-53.8	0	0	0	0	107.3	F101 Y318 A320 V351 G352 P353 T404	F101-T395 VanDerWaalsContact CD2-OG1 3.3Å; F101-T395 WeakPolarHBondContact CD2-OG1 3.32Å; F101-T395 WeakPolarHBondContact CE2-OG1 3.41Å; Y318-T395 HydrophobicContact CD2-CG2 4.49Å; Y318-T395 HydrophobicContact CE2-CG2 4.25Å; Y318-T395 WeakPolarHBondContact O-CB 3.46Å; Y318-T395 VanDerWaalsContact O-CG2 3.29Å; Y318-T395 WeakPolarHBondContact O-CG2 3.39Å; Y318-T395 PolarHBondContact O-OG1 2.68Å; A320-T395 HydrophobicContact CB-CG2 4.33Å; V351-T395 PolarHBondContact O-N 2.88Å; G352-T395 WeakPolarHBondContact CA-O 3.21Å; P353-T395 WeakPolarHBondContact CD-O 3.42Å; T395-T404 CarbonylContact C-O 3.59Å; T395-T404 WeakPolarHBondContact O-CB 3.49Å
396	S	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.			cis	-149.1	173.2	7.6	61.4	0	0	0	0	111.1	I394 E399 T404 Q405 I406	I394-S396 WeakPolarHBondContact O-CA 3.26Å; S396-E399 WeakPolarHBondContact OG-CA 3.26Å; S396-E399 WeakPolarHBondContact OG-CB 3.24Å; S396-E399 PolarHBondContact OG-N 2.78Å; S396-T404 PolarHBondContact N-O 2.91Å; S396-T404 PolarHBondContact OG-OG1 2.9Å; S396-Q405 CarbonylContact O-C 3.52Å; S396-Q405 WeakPolarHBondContact O-CA 3.38Å; S396-I406 WeakPolarHBondContact O-CG1 3.06Å; S396-I406 PolarHBondContact O-N 3.37Å
397	F	98.9	Very high	98.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-64.4	-59	164.7	-178.4	-100.5	0	0	0	110.2	A100 F101 Y102 H167 Q170 L171 Q405 I406 E407	A100-F397 HydrophobicContact CB-CB 4.27Å; F101-F397 WeakPolarHBondContact O-CB 3.46Å; F101-F397 PolarHBondContact O-N 2.97Å; Y102-F397 HydrophobicContact CD2-CB 4.11Å; Y102-F397 AromaticContact CD2-CD1 3.32Å; Y102-F397 HydrophobicContact CD2-CD1 3.32Å; Y102-F397 HydrophobicContact CD2-CE1 4.04Å; Y102-F397 AromaticContact CD2-CG 3.94Å; Y102-F397 HydrophobicContact CD2-CG 3.94Å; Y102-F397 AromaticContact CE2-CD1 3.5Å; Y102-F397 HydrophobicContact CE2-CD1 3.5Å; Y102-F397 AromaticContact CE2-CE1 3.73Å; Y102-F397 HydrophobicContact CE2-CE1 3.73Å; Y102-F397 HydrophobicContact CE2-CG 4.47Å; H167-F397 HydrophobicContact CB-CE1 3.74Å; H167-F397 HydrophobicContact CB-CZ 3.72Å; H167-F397 AromaticContact CD2-CE1 3.62Å; H167-F397 AromaticContact CD2-CZ 3.79Å; H167-F397 AromaticContact CG-CE1 3.46Å; H167-F397 VanDerWaalsContact CG-CE1 3.46Å; H167-F397 AromaticContact CG-CZ 3.78Å; H167-F397 AromaticContact ND1-CE1 3.8Å; Q170-F397 HydrophobicContact CB-CE2 3.92Å; Q170-F397 HydrophobicContact CB-CZ 4.09Å; L171-F397 HydrophobicContact CD2-CD2 3.6Å; L171-F397 HydrophobicContact CD2-CE2 4.03Å; L171-F397 HydrophobicContact CD2-CG 4.24Å; L171-F397 HydrophobicContact CG-CD2 3.97Å; L171-F397 HydrophobicContact CG-CE2 3.86Å; F397-Q405 WeakPolarHBondContact O-CA 3.04Å; F397-Q405 VanDerWaalsContact O-CB 3.29Å; F397-Q405 WeakPolarHBondContact O-CB 3.45Å; F397-I406 HydrophobicContact CD2-CG1 4.34Å; F397-I406 PolarHBondContact O-N 2.91Å; F397-E407 HydrophobicContact CE1-CB 4.17Å; F397-E407 HydrophobicContact CE1-CG 4.01Å; F397-E407 HydrophobicContact CE2-CB 4.43Å; F397-E407 HydrophobicContact CZ-CB 4.1Å; F397-E407 HydrophobicContact CZ-CG 3.87Å; F397-E407 VanDerWaalsContact O-CB 3.31Å; F397-E407 WeakPolarHBondContact O-CB 3.09Å; F397-E407 PolarHBondContact O-N 3.1Å
398	N	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-142.4	34	-168.7	68	-24.6	0	0	0	115.2	Y103 Y106 Y156 W400 E407	Y103-N398 PolarHBondContact N-OD1 2.77Å; Y103-N398 PolarHBondContact O-ND2 3.38Å; Y106-N398 WeakPolarHBondContact CE2-O 3.37Å; Y106-N398 PolarHBondContact OH-O 2.77Å; Y156-N398 PolarHBondContact OH-ND2 3.19Å; Y156-N398 VanDerWaalsContact OH-ND2 3.15Å; N398-W400 PolarHBondContact O-N 3.37Å; N398-E407 HydrophobicContact CB-CB 4.42Å; N398-E407 WeakPolarHBondContact CB-OE2 3.29Å
399	E	98.8	Very high	98.7	Very high	7 Å²	7	6.3 Å²	6.3	3%	0.033	3%	0.032	C	C	.	.			trans	-76.8	79	169.1	-172.1	48	-122.3	0	0	110.1	Y103 W105 S396 H401 E402 G403 T404	Y103-E399 WeakPolarHBondContact CD1-OE2 3.36Å; Y103-E399 HydrophobicContact CD2-CB 3.86Å; Y103-E399 WeakPolarHBondContact CD2-OE2 3.3Å; Y103-E399 VanDerWaalsContact CE1-OE2 3.27Å; Y103-E399 WeakPolarHBondContact CE1-OE2 3.21Å; Y103-E399 HydrophobicContact CE2-CB 3.56Å; Y103-E399 HydrophobicContact CE2-CG 4.17Å; Y103-E399 VanDerWaalsContact CE2-OE2 3.28Å; Y103-E399 WeakPolarHBondContact CE2-OE2 3.47Å; Y103-E399 VanDerWaalsContact CZ-OE2 3.28Å; W105-E399 WeakPolarHBondContact CZ2-OE1 3.44Å; W105-E399 WeakPolarHBondContact CZ2-OE2 3.37Å; S396-E399 WeakPolarHBondContact OG-CA 3.26Å; S396-E399 WeakPolarHBondContact OG-CB 3.24Å; S396-E399 PolarHBondContact OG-N 2.78Å; E399-H401 VanDerWaalsContact C-N 3.31Å; E399-H401 PolarHBondContact O-N 3.34Å; E399-H401 WeakPolarHBondContact OE1-CB 3.44Å; E399-H401 IonicContact OE1-CD2 3.99Å; E399-H401 PolarHBondContact OE1-CD2 2.97Å; E399-H401 IonicContact OE1-CG 3.01Å; E399-E402 HydrophobicContact CG-CB 3.95Å; E399-E402 HydrophobicContact CG-CG 3.87Å; E399-E402 PolarHBondContact O-N 2.86Å; E399-G403 PolarHBondContact O-N 3.08Å; E399-T404 WeakPolarHBondContact CB-OG1 3.37Å; E399-T404 PolarHBondContact O-N 2.92Å
400	W	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-66.6	-31.8	-173.7	-73.4	97.5	0	0	0	113	Y106 W118 A147 F149 P151 Y156 N398 E402 G403 Q405 E407 A409	Y106-W400 AromaticContact CZ-CD1 3.81Å; Y106-W400 PolarHBondContact OH-N 2.66Å; Y106-W400 VanDerWaalsContact OH-N 3.14Å; W118-W400 HydrophobicContact CH2-CB 4.3Å; W118-W400 AromaticContact CH2-CD1 3.59Å; W118-W400 HydrophobicContact CH2-CD2 4.45Å; W118-W400 AromaticContact CH2-CG 3.86Å; W118-W400 HydrophobicContact CH2-CG 3.86Å; W118-W400 HydrophobicContact CZ3-CB 3.94Å; W118-W400 AromaticContact CZ3-CG 3.95Å; W118-W400 HydrophobicContact CZ3-CG 3.95Å; A147-W400 HydrophobicContact CB-CB 3.95Å; A147-W400 WeakPolarHBondContact CB-O 3.5Å; F149-W400 HydrophobicContact CB-CE3 4.04Å; F149-W400 HydrophobicContact CB-CZ3 3.7Å; P151-W400 HydrophobicContact CB-CD2 4.49Å; P151-W400 HydrophobicContact CB-CH2 3.81Å; P151-W400 HydrophobicContact CB-CZ2 3.51Å; P151-W400 HydrophobicContact CB-CZ3 4.36Å; P151-W400 HydrophobicContact CG-CD2 3.78Å; P151-W400 HydrophobicContact CG-CE3 3.99Å; P151-W400 HydrophobicContact CG-CG 4.41Å; P151-W400 HydrophobicContact CG-CH2 4Å; P151-W400 HydrophobicContact CG-CZ2 3.74Å; P151-W400 HydrophobicContact CG-CZ3 4.08Å; Y156-W400 AromaticContact CE1-NE1 3.95Å; Y156-W400 PolarHBondContact OH-NE1 2.79Å; N398-W400 PolarHBondContact O-N 3.37Å; W400-E402 PolarHBondContact O-N 3.06Å; W400-G403 PolarHBondContact O-N 3.46Å; W400-Q405 HydrophobicContact CD2-CB 4.34Å; W400-Q405 HydrophobicContact CD2-CG 3.75Å; W400-Q405 HydrophobicContact CE3-CG 3.64Å; W400-Q405 HydrophobicContact CH2-CG 3.61Å; W400-Q405 HydrophobicContact CZ2-CG 3.75Å; W400-Q405 HydrophobicContact CZ3-CG 3.59Å; W400-E407 HydrophobicContact CZ2-CB 3.8Å; W400-E407 HydrophobicContact CZ2-CG 3.97Å; W400-E407 WeakPolarHBondContact CZ2-OE2 3.4Å; W400-E407 PolarHBondContact NE1-OE2 2.96Å; W400-A409 HydrophobicContact CH2-CB 3.79Å; W400-A409 HydrophobicContact CZ3-CB 3.9Å
401	H	98.8	Very high	98.8	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.019	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-64.1	-32.1	-178.3	-53.4	-47.5	0	0	0	112.1	W105 Y106 H117 G146 D357 I360 E399	W105-H401 AromaticContact CZ2-CD2 3.78Å; W105-H401 AromaticContact NE1-NE2 3.8Å; Y106-H401 AromaticContact CE1-CE1 3.82Å; Y106-H401 AromaticContact CE1-NE2 3.67Å; H117-H401 AromaticContact CG-NE2 3.64Å; H117-H401 AromaticContact ND1-CD2 3.81Å; H117-H401 AromaticContact ND1-NE2 3.04Å; H117-H401 PolarHBondContact ND1-NE2 2.95Å; H117-H401 PolarHBondContact O-CE1 3.41Å; G146-H401 PolarHBondContact O-ND1 2.98Å; D357-H401 VanDerWaalsContact CA-O 3.26Å; D357-H401 WeakPolarHBondContact CA-O 3.5Å; D357-H401 WeakPolarHBondContact CB-O 3.28Å; I360-H401 HydrophobicContact CD1-CB 3.69Å; I360-H401 HydrophobicContact CG1-CB 4.19Å; E399-H401 VanDerWaalsContact C-N 3.31Å; E399-H401 PolarHBondContact O-N 3.34Å; E399-H401 WeakPolarHBondContact OE1-CB 3.44Å; E399-H401 IonicContact OE1-CD2 3.99Å; E399-H401 PolarHBondContact OE1-CD2 2.97Å; E399-H401 IonicContact OE1-CG 3.01Å
402	E	98.8	Very high	98.8	Very high	22 Å²	22	12.9 Å²	12.9	10%	0.103	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-99.6	1.9	-178.3	-55.6	-159.3	144	0	0	113.7	Y355 I356 D357 R361 E399 W400 T404	Y355-E402 HydrophobicContact CD2-CB 4.18Å; Y355-E402 HydrophobicContact CE2-CB 3.7Å; Y355-E402 HydrophobicContact CE2-CG 4.21Å; I356-E402 CarbonylContact C-O 3.45Å; I356-E402 PolarHBondContact N-O 3.5Å; I356-E402 CarbonylContact O-C 3.59Å; D357-E402 HydrophobicContact CB-CB 4.48Å; D357-E402 HydrophobicContact CB-CG 4.44Å; R361-E402 IonicContact CZ-OE1 3.52Å; R361-E402 IonicContact NH1-OE1 3.67Å; R361-E402 PolarHBondContact NH1-OE1 3.26Å; R361-E402 IonicContact NH2-OE1 2.78Å; R361-E402 PolarHBondContact NH2-OE1 3.09Å; E399-E402 HydrophobicContact CG-CB 3.95Å; E399-E402 HydrophobicContact CG-CG 3.87Å; E399-E402 PolarHBondContact O-N 2.86Å; W400-E402 PolarHBondContact O-N 3.06Å; E402-T404 HydrophobicContact CB-CG2 3.91Å; E402-T404 WeakPolarHBondContact O-CG2 3.31Å; E402-T404 PolarHBondContact O-N 3.04Å
403	G	98.8	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	24.8	178.4	0	0	0	0	0	113.3	I356 R371 E399 W400 Q405	I356-G403 PolarHBondContact O-N 3.03Å; R371-G403 PolarHBondContact NH2-O 3.32Å; E399-G403 PolarHBondContact O-N 3.08Å; W400-G403 PolarHBondContact O-N 3.46Å; G403-Q405 PolarHBondContact O-OE1 3.37Å
404	T	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.			trans	-98.5	-2.8	-177.3	67.7	0	0	0	0	113.3	A320 P353 Y355 T395 S396 E399 E402	A320-T404 HydrophobicContact CB-CG2 3.56Å; P353-T404 WeakPolarHBondContact CD-O 3.4Å; P353-T404 WeakPolarHBondContact CG-O 3.46Å; Y355-T404 HydrophobicContact CD2-CG2 3.64Å; Y355-T404 HydrophobicContact CE2-CG2 4.37Å; T395-T404 CarbonylContact C-O 3.59Å; T395-T404 WeakPolarHBondContact O-CB 3.49Å; S396-T404 PolarHBondContact N-O 2.91Å; S396-T404 PolarHBondContact OG-OG1 2.9Å; E399-T404 WeakPolarHBondContact CB-OG1 3.37Å; E399-T404 PolarHBondContact O-N 2.92Å; E402-T404 HydrophobicContact CB-CG2 3.91Å; E402-T404 WeakPolarHBondContact O-CG2 3.31Å; E402-T404 PolarHBondContact O-N 3.04Å
405	Q	98.9	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.			trans	-63.1	140.8	-175.6	80.5	-66.9	-4.4	0	0	113.4	F149 R371 S396 F397 W400 G403 Y421	F149-Q405 VanDerWaalsContact CG-NE2 3.29Å; R371-Q405 VanDerWaalsContact CZ-O 3.27Å; R371-Q405 PolarHBondContact NH1-O 2.7Å; R371-Q405 PolarHBondContact NH2-O 2.81Å; S396-Q405 CarbonylContact O-C 3.52Å; S396-Q405 WeakPolarHBondContact O-CA 3.38Å; F397-Q405 WeakPolarHBondContact O-CA 3.04Å; F397-Q405 VanDerWaalsContact O-CB 3.29Å; F397-Q405 WeakPolarHBondContact O-CB 3.45Å; W400-Q405 HydrophobicContact CD2-CB 4.34Å; W400-Q405 HydrophobicContact CD2-CG 3.75Å; W400-Q405 HydrophobicContact CE3-CG 3.64Å; W400-Q405 HydrophobicContact CH2-CG 3.61Å; W400-Q405 HydrophobicContact CZ2-CG 3.75Å; W400-Q405 HydrophobicContact CZ3-CG 3.59Å; G403-Q405 PolarHBondContact O-OE1 3.37Å; Q405-Y421 PolarHBondContact NE2-OH 3.05Å; Q405-Y421 VanDerWaalsContact NE2-OH 3.07Å; Q405-Y421 PolarHBondContact O-OH 3.22Å
406	I	98.9	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.			trans	-99.2	-8	164.7	65.4	170	0	0	0	112.6	I176 P353 Y377 I394 S396 F397 L430	I176-I406 HydrophobicContact CD1-CD1 3.54Å; P353-I406 HydrophobicContact CB-CG2 4.35Å; P353-I406 HydrophobicContact CG-CG2 3.92Å; Y377-I406 HydrophobicContact CE1-CG2 4.25Å; I394-I406 HydrophobicContact CD1-CD1 4.3Å; I394-I406 HydrophobicContact CG2-CD1 4.13Å; I394-I406 HydrophobicContact CG2-CG2 4.13Å; S396-I406 WeakPolarHBondContact O-CG1 3.06Å; S396-I406 PolarHBondContact O-N 3.37Å; F397-I406 HydrophobicContact CD2-CG1 4.34Å; F397-I406 PolarHBondContact O-N 2.91Å; I406-L430 HydrophobicContact CB-CD2 4.47Å; I406-L430 HydrophobicContact CD1-CD2 3.95Å; I406-L430 HydrophobicContact CG1-CD2 4.06Å
407	E	98.9	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-53.2	145.7	169.4	-167.8	-165.3	150.8	0	0	110.4	Y156 H167 F397 N398 W400 A409 Y421	Y156-E407 WeakPolarHBondContact CE1-OE1 3.42Å; Y156-E407 PolarHBondContact OH-OE2 2.83Å; H167-E407 IonicContact NE2-OE1 3.88Å; H167-E407 IonicContact NE2-OE2 3.61Å; F397-E407 HydrophobicContact CE1-CB 4.17Å; F397-E407 HydrophobicContact CE1-CG 4.01Å; F397-E407 HydrophobicContact CE2-CB 4.43Å; F397-E407 HydrophobicContact CZ-CB 4.1Å; F397-E407 HydrophobicContact CZ-CG 3.87Å; F397-E407 VanDerWaalsContact O-CB 3.31Å; F397-E407 WeakPolarHBondContact O-CB 3.09Å; F397-E407 PolarHBondContact O-N 3.1Å; N398-E407 HydrophobicContact CB-CB 4.42Å; N398-E407 WeakPolarHBondContact CB-OE2 3.29Å; W400-E407 HydrophobicContact CZ2-CB 3.8Å; W400-E407 HydrophobicContact CZ2-CG 3.97Å; W400-E407 WeakPolarHBondContact CZ2-OE2 3.4Å; W400-E407 PolarHBondContact NE1-OE2 2.96Å; E407-A409 PolarHBondContact O-N 2.97Å; E407-Y421 PolarHBondContact O-OH 3.03Å; E407-Y421 VanDerWaalsContact O-OH 3.07Å
408	M	98.9	Very high	96.7	Very high	53 Å²	53	37.5 Å²	37.5	26%	0.261	21%	0.208	S	C	.	.			trans	-57.5	122.3	-177.6	-67.9	-168.8	-68.1	0	0	112.4	A152 Q170 P426 V427 L430	A152-M408 HydrophobicContact CB-CB 3.83Å; A152-M408 VanDerWaalsContact CB-O 3.26Å; A152-M408 WeakPolarHBondContact CB-O 3.43Å; A152-M408 PolarHBondContact N-O 2.98Å; Q170-M408 HydrophobicContact CG-CE 3.84Å; M408-P426 WeakPolarHBondContact CA-O 3.35Å; M408-P426 HydrophobicContact CB-CB 3.87Å; M408-P426 HydrophobicContact CG-CB 4.17Å; M408-P426 HydrophobicContact SD-CB 4.32Å; M408-V427 HydrophobicContact SD-CB 4.2Å; M408-L430 HydrophobicContact CG-CD1 4.1Å
409	A	98.8	Very high	96.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	151.5	171.7	0	0	0	0	0	111.4	F149 Y150 W400 E407 Y421 P426	F149-A409 HydrophobicContact CB-CB 4.35Å; F149-A409 HydrophobicContact CD1-CB 4.47Å; Y150-A409 VanDerWaalsContact O-CA 3.25Å; Y150-A409 WeakPolarHBondContact O-CA 3.42Å; Y150-A409 WeakPolarHBondContact O-CB 3.5Å; W400-A409 HydrophobicContact CH2-CB 3.79Å; W400-A409 HydrophobicContact CZ3-CB 3.9Å; E407-A409 PolarHBondContact O-N 2.97Å; A409-Y421 HydrophobicContact CB-CD1 4.21Å; A409-Y421 HydrophobicContact CB-CD2 4.09Å; A409-Y421 HydrophobicContact CB-CE1 3.67Å; A409-Y421 HydrophobicContact CB-CE2 3.55Å; A409-Y421 HydrophobicContact CB-CG 4.4Å; A409-Y421 VanDerWaalsContact N-CE2 3.33Å; A409-P426 VanDerWaalsContact O-CB 3.26Å; A409-P426 WeakPolarHBondContact O-CB 3.48Å; A409-P426 WeakPolarHBondContact O-CG 3.41Å
410	I	98.4	Very high	96.6	Very high	60 Å²	60	43.5 Å²	43.5	31%	0.308	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.2	179.2	57.4	170.8	0	0	0	111.6	Y150 A152 K412 P426	Y150-I410 HydrophobicContact CD1-CD1 4.44Å; Y150-I410 HydrophobicContact CD1-CG1 4.31Å; Y150-I410 PolarHBondContact O-N 3.35Å; A152-I410 HydrophobicContact CB-CG2 3.79Å; I410-K412 PolarHBondContact O-N 3.01Å; I410-P426 HydrophobicContact CG2-CG 4.02Å
411	P	98.3	Very high	96.6	Very high	70 Å²	70	43.8 Å²	43.8	46%	0.455	24%	0.241	S	C	.	.			trans	-58.1	129.9	166.9	-21.8	33.3	0	0	0	110.6	D420 L422	P411-D420 HydrophobicContact CB-CB 4.24Å; P411-D420 WeakPolarHBondContact CB-OD2 3.11Å; P411-D420 HydrophobicContact CG-CB 3.99Å; P411-L422 HydrophobicContact CB-CD1 4.38Å; P411-L422 HydrophobicContact CG-CD1 3.72Å; P411-L422 HydrophobicContact CG-CD2 4.34Å; P411-L422 HydrophobicContact CG-CG 3.9Å
412	K	97.8	Very high	96.5	Very high	48 Å²	48	48.3 Å²	48.3	21%	0.209	26%	0.264	C	S	.	.			trans	-145	135.3	172.9	-173.1	177.4	167.9	97.2	0	110.3	D143 Y150 I410 Y418	D143-K412 WeakPolarHBondContact OD1-CE 3.43Å; D143-K412 IonicContact OD1-NZ 3.26Å; D143-K412 PolarHBondContact OD1-NZ 3.48Å; Y150-K412 HydrophobicContact CD1-CB 4.34Å; Y150-K412 HydrophobicContact CD1-CD 3.43Å; Y150-K412 VanDerWaalsContact CD1-CD 3.43Å; Y150-K412 HydrophobicContact CD2-CD 3.45Å; Y150-K412 VanDerWaalsContact CD2-CD 3.45Å; Y150-K412 HydrophobicContact CE1-CD 3.44Å; Y150-K412 VanDerWaalsContact CE1-CD 3.44Å; Y150-K412 HydrophobicContact CE2-CD 3.47Å; Y150-K412 VanDerWaalsContact CE2-CD 3.47Å; Y150-K412 HydrophobicContact CG-CB 4.09Å; Y150-K412 HydrophobicContact CG-CD 3.41Å; Y150-K412 VanDerWaalsContact CG-CD 3.41Å; Y150-K412 HydrophobicContact CG-CG 4.38Å; Y150-K412 VanDerWaalsContact CZ-CD 3.45Å; Y150-K412 VanDerWaalsContact CZ-CE 3.46Å; I410-K412 PolarHBondContact O-N 3.01Å; K412-Y418 HydrophobicContact CB-CD2 4.13Å; K412-Y418 HydrophobicContact CD-CE2 4.46Å; K412-Y418 HydrophobicContact CG-CD2 4.35Å; K412-Y418 WeakPolarHBondContact O-CD2 3.32Å; K412-Y418 PolarHBondContact O-N 3.15Å; K412-Y418 VanDerWaalsContact O-N 3.07Å
413	T	95.6	Very high	96.5	Very high	110 Å²	110	52.3 Å²	52.3	68%	0.675	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-118.1	124.2	170.3	-58.3	0	0	0	0	108.2	V417	T413-V417 HydrophobicContact CG2-CG2 4.18Å
414	S	89.8	Confident	96.5	Very high	40 Å²	40	56.1 Å²	56.1	28%	0.28	31%	0.31	S	S	.	.	S	Bend	trans	-129.7	-124.3	169.5	67.5	0	0	0	0	108.9	D143 T416	D143-S414 PolarHBondContact O-OG 3.37Å; S414-T416 PolarHBondContact N-O 3.43Å; S414-T416 PolarHBondContact O-N 3.43Å
415	Q	84	Confident	96.4	Very high	170 Å²	170	63.5 Å²	63.5	79%	0.794	34%	0.342	S	S	*	.	S	Bend	trans	-67.8	-24	168.3	-60	-179.5	9.7	0	0	111.7
416	T	85.5	Confident	96.4	Very high	85 Å²	85	65.6 Å²	65.6	52%	0.521	36%	0.356	S	S	.	.	S	Bend	trans	-127.2	151.5	175.6	-58.4	0	0	0	0	109.2	S414	S414-T416 PolarHBondContact N-O 3.43Å; S414-T416 PolarHBondContact O-N 3.43Å
417	V	95.6	Very high	96.4	Very high	108 Å²	108	67.2 Å²	67.2	66%	0.655	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-86.5	112.2	168.9	-178	0	0	0	0	107.6	T413	T413-V417 HydrophobicContact CG2-CG2 4.18Å
418	Y	98.4	Very high	96.4	Very high	10 Å²	10	67.8 Å²	67.8	4%	0.039	37%	0.369	C	S	.	.			trans	-71.9	147.6	175.8	-71.1	-95	0	0	0	110.2	D143 D144 I145 A147 Y150 K412	D143-Y418 PolarHBondContact O-OH 2.97Å; D144-Y418 VanDerWaalsContact CA-OH 3.32Å; D144-Y418 WeakPolarHBondContact CA-OH 3.34Å; I145-Y418 HydrophobicContact CD1-CE1 4.33Å; I145-Y418 HydrophobicContact CG1-CE1 3.68Å; I145-Y418 PolarHBondContact N-OH 2.94Å; A147-Y418 WeakPolarHBondContact O-CE1 3.5Å; Y150-Y418 HydrophobicContact CD2-CD1 4.25Å; Y150-Y418 HydrophobicContact CD2-CD2 4.34Å; Y150-Y418 AromaticContact CD2-CE1 3.94Å; Y150-Y418 HydrophobicContact CD2-CE1 3.94Å; Y150-Y418 HydrophobicContact CD2-CE2 4.02Å; Y150-Y418 HydrophobicContact CD2-CG 4.44Å; Y150-Y418 AromaticContact CD2-CZ 3.8Å; K412-Y418 HydrophobicContact CB-CD2 4.13Å; K412-Y418 HydrophobicContact CD-CE2 4.46Å; K412-Y418 HydrophobicContact CG-CD2 4.35Å; K412-Y418 WeakPolarHBondContact O-CD2 3.32Å; K412-Y418 PolarHBondContact O-N 3.15Å; K412-Y418 VanDerWaalsContact O-N 3.07Å
419	L	98.5	Very high	96.4	Very high	81 Å²	81	65.6 Å²	65.6	42%	0.424	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-67.2	152.1	166.1	-60.5	-179.9	0	0	0	109.6	N148 F149 I356	N148-L419 WeakPolarHBondContact O-CB 3.35Å; N148-L419 PolarHBondContact O-N 2.72Å; F149-L419 HydrophobicContact CD1-CB 3.7Å; F149-L419 WeakPolarHBondContact CD1-O 3.33Å; F149-L419 HydrophobicContact CD2-CB 4.35Å; F149-L419 HydrophobicContact CE1-CB 3.44Å; F149-L419 VanDerWaalsContact CE1-CB 3.44Å; F149-L419 HydrophobicContact CE2-CB 4.15Å; F149-L419 HydrophobicContact CE2-CD1 4.11Å; F149-L419 HydrophobicContact CG-CB 4.13Å; F149-L419 HydrophobicContact CZ-CB 3.68Å; F149-L419 HydrophobicContact CZ-CD1 3.98Å; I356-L419 HydrophobicContact CD1-CD1 3.8Å; I356-L419 HydrophobicContact CG2-CD1 4.13Å
420	D	98.4	Very high	96.4	Very high	52 Å²	52	65.5 Å²	65.5	28%	0.278	36%	0.357	S	S	.	.			trans	-143.6	-173.1	-179.1	64	47.9	0	0	0	111	P411 L422	P411-D420 HydrophobicContact CB-CB 4.24Å; P411-D420 WeakPolarHBondContact CB-OD2 3.11Å; P411-D420 HydrophobicContact CG-CB 3.99Å; D420-L422 WeakPolarHBondContact OD1-CB 3.39Å; D420-L422 WeakPolarHBondContact OD1-CG 3.49Å; D420-L422 PolarHBondContact OD1-N 3.01Å
421	Y	98.6	Very high	96.4	Very high	6 Å²	6	67.4 Å²	67.4	2%	0.024	37%	0.365	C	S	.	.			trans	-102.4	9.5	-175.6	-57	-14.8	0	0	0	112.8	F149 R371 Q405 E407 A409 H424 P426 V428 Y429	F149-Y421 HydrophobicContact CD1-CD1 4.12Å; F149-Y421 AromaticContact CD1-CE1 3.62Å; F149-Y421 HydrophobicContact CD1-CE1 3.62Å; F149-Y421 AromaticContact CE1-CD1 3.94Å; F149-Y421 HydrophobicContact CE1-CD1 3.94Å; F149-Y421 AromaticContact CE1-CE1 3.65Å; F149-Y421 HydrophobicContact CE1-CE1 3.65Å; F149-Y421 HydrophobicContact CG-CE1 4.49Å; R371-Y421 VanDerWaalsContact NH1-CE1 3.26Å; R371-Y421 VanDerWaalsContact NH1-CZ 3.33Å; R371-Y421 PolarHBondContact NH1-OH 2.85Å; R371-Y421 VanDerWaalsContact NH1-OH 3.1Å; Q405-Y421 PolarHBondContact NE2-OH 3.05Å; Q405-Y421 VanDerWaalsContact NE2-OH 3.07Å; Q405-Y421 PolarHBondContact O-OH 3.22Å; E407-Y421 PolarHBondContact O-OH 3.03Å; E407-Y421 VanDerWaalsContact O-OH 3.07Å; A409-Y421 HydrophobicContact CB-CD1 4.21Å; A409-Y421 HydrophobicContact CB-CD2 4.09Å; A409-Y421 HydrophobicContact CB-CE1 3.67Å; A409-Y421 HydrophobicContact CB-CE2 3.55Å; A409-Y421 HydrophobicContact CB-CG 4.4Å; A409-Y421 VanDerWaalsContact N-CE2 3.33Å; Y421-H424 CarbonylContact O-C 3.6Å; Y421-H424 WeakPolarHBondContact O-CA 3.45Å; Y421-H424 VanDerWaalsContact O-CB 3.31Å; Y421-H424 WeakPolarHBondContact O-CB 3.5Å; Y421-H424 PolarHBondContact O-N 3.07Å; Y421-P426 WeakPolarHBondContact CD2-O 3.39Å; Y421-V428 HydrophobicContact CD2-CG1 4.12Å; Y421-V428 HydrophobicContact CG-CG1 4.29Å; Y421-Y429 HydrophobicContact CD1-CD2 4.13Å; Y421-Y429 AromaticContact CD1-CE2 3.48Å; Y421-Y429 HydrophobicContact CD1-CE2 3.48Å; Y421-Y429 VanDerWaalsContact CD1-CE2 3.48Å; Y421-Y429 AromaticContact CD2-CD2 3.7Å; Y421-Y429 HydrophobicContact CD2-CD2 3.7Å; Y421-Y429 AromaticContact CD2-CE2 3.8Å; Y421-Y429 HydrophobicContact CD2-CE2 3.8Å; Y421-Y429 AromaticContact CE1-CD2 3.99Å; Y421-Y429 HydrophobicContact CE1-CD2 3.99Å; Y421-Y429 AromaticContact CE1-CE2 3.62Å; Y421-Y429 HydrophobicContact CE1-CE2 3.62Å; Y421-Y429 AromaticContact CE2-CD2 3.52Å; Y421-Y429 HydrophobicContact CE2-CD2 3.52Å; Y421-Y429 AromaticContact CE2-CE2 3.91Å; Y421-Y429 HydrophobicContact CE2-CE2 3.91Å; Y421-Y429 HydrophobicContact CG-CD2 4.02Å; Y421-Y429 AromaticContact CG-CE2 3.59Å; Y421-Y429 HydrophobicContact CG-CE2 3.59Å; Y421-Y429 AromaticContact CZ-CD2 3.68Å; Y421-Y429 AromaticContact CZ-CE2 3.83Å
422	L	97.5	Very high	96.4	Very high	99 Å²	99	65 Å²	65	52%	0.518	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	146.1	-179.9	-68.1	175.7	0	0	0	111.3	P411 D420 H424	P411-L422 HydrophobicContact CB-CD1 4.38Å; P411-L422 HydrophobicContact CG-CD1 3.72Å; P411-L422 HydrophobicContact CG-CD2 4.34Å; P411-L422 HydrophobicContact CG-CG 3.9Å; D420-L422 WeakPolarHBondContact OD1-CB 3.39Å; D420-L422 WeakPolarHBondContact OD1-CG 3.49Å; D420-L422 PolarHBondContact OD1-N 3.01Å; L422-H424 VanDerWaalsContact C-N 3.29Å
423	P	97.5	Very high	96.4	Very high	106 Å²	106	62.9 Å²	62.9	69%	0.688	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.4	6	5.8	35.4	-37.3	0	0	0	114.3
424	H	98.3	Very high	96.6	Very high	79 Å²	79	62.1 Å²	62.1	37%	0.366	33%	0.325	S	S	.	.	S	Bend	trans	-81.5	165	179.3	-56.2	-73.5	0	0	0	112.4	Y421 L422 V428	Y421-H424 CarbonylContact O-C 3.6Å; Y421-H424 WeakPolarHBondContact O-CA 3.45Å; Y421-H424 VanDerWaalsContact O-CB 3.31Å; Y421-H424 WeakPolarHBondContact O-CB 3.5Å; Y421-H424 PolarHBondContact O-N 3.07Å; L422-H424 VanDerWaalsContact C-N 3.29Å; H424-V428 HydrophobicContact CB-CB 3.7Å; H424-V428 HydrophobicContact CB-CG1 3.91Å; H424-V428 HydrophobicContact CB-CG2 3.69Å
425	K	98.3	Very high	97	Very high	155 Å²	155	65.4 Å²	65.4	67%	0.674	33%	0.334	S	S	*	.			trans	-73.3	158.6	175.4	-66.1	-179.4	-178.4	177.7	0	110.7	V427 V428	K425-V427 HydrophobicContact CB-CG1 4.07Å; K425-V427 PolarHBondContact O-N 3.04Å; K425-V428 WeakPolarHBondContact O-CB 3.28Å; K425-V428 WeakPolarHBondContact O-CG1 3.13Å; K425-V428 PolarHBondContact O-N 2.81Å
426	P	98.6	Very high	97.7	Very high	45 Å²	45	58.7 Å²	58.7	29%	0.292	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-29.6	175.9	-31.4	37.6	0	0	0	115	M408 A409 I410 Y421 V428	M408-P426 WeakPolarHBondContact CA-O 3.35Å; M408-P426 HydrophobicContact CB-CB 3.87Å; M408-P426 HydrophobicContact CG-CB 4.17Å; M408-P426 HydrophobicContact SD-CB 4.32Å; A409-P426 VanDerWaalsContact O-CB 3.26Å; A409-P426 WeakPolarHBondContact O-CB 3.48Å; A409-P426 WeakPolarHBondContact O-CG 3.41Å; I410-P426 HydrophobicContact CG2-CG 4.02Å; Y421-P426 WeakPolarHBondContact CD2-O 3.39Å; P426-V428 VanDerWaalsContact C-N 3.31Å; P426-V428 PolarHBondContact O-N 3.38Å
427	V	98.3	Very high	98.3	Very high	34 Å²	34	54.8 Å²	54.8	21%	0.206	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.6	-177.7	71.1	0	0	0	0	114.6	M408 K425 Y429 L430 E431	M408-V427 HydrophobicContact SD-CB 4.2Å; K425-V427 HydrophobicContact CB-CG1 4.07Å; K425-V427 PolarHBondContact O-N 3.04Å; V427-Y429 VanDerWaalsContact C-N 3.33Å; V427-Y429 PolarHBondContact O-N 3.09Å; V427-Y429 VanDerWaalsContact O-N 3.14Å; V427-L430 HydrophobicContact CG2-CB 4.21Å; V427-L430 HydrophobicContact CG2-CD1 4.15Å; V427-L430 WeakPolarHBondContact O-CB 3.31Å; V427-L430 PolarHBondContact O-N 3.36Å; V427-E431 HydrophobicContact CG1-CG 4.15Å; V427-E431 HydrophobicContact CG2-CG 4.29Å; V427-E431 PolarHBondContact O-N 3.11Å; V427-E431 VanDerWaalsContact O-N 3.1Å
428	V	98.7	Very high	98.4	Very high	12 Å²	12	52 Å²	52	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-54.8	-40.5	-166.3	66.4	0	0	0	0	114.5	Y421 H424 K425 P426 L430 E431 V432	Y421-V428 HydrophobicContact CD2-CG1 4.12Å; Y421-V428 HydrophobicContact CG-CG1 4.29Å; H424-V428 HydrophobicContact CB-CB 3.7Å; H424-V428 HydrophobicContact CB-CG1 3.91Å; H424-V428 HydrophobicContact CB-CG2 3.69Å; K425-V428 WeakPolarHBondContact O-CB 3.28Å; K425-V428 WeakPolarHBondContact O-CG1 3.13Å; K425-V428 PolarHBondContact O-N 2.81Å; P426-V428 VanDerWaalsContact C-N 3.31Å; P426-V428 PolarHBondContact O-N 3.38Å; V428-L430 VanDerWaalsContact C-N 3.34Å; V428-L430 PolarHBondContact O-N 3.23Å; V428-E431 WeakPolarHBondContact O-CB 3.28Å; V428-E431 PolarHBondContact O-N 3.07Å; V428-V432 WeakPolarHBondContact O-CG2 3.41Å; V428-V432 PolarHBondContact O-N 2.85Å
429	Y	98.9	Very high	98.4	Very high	6 Å²	6	54 Å²	54	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-71	-32	-178.6	-68.4	-75.2	0	0	0	112.2	P353 R371 Y377 Y421 V427 V432 T433	P353-Y429 HydrophobicContact CB-CD1 3.51Å; P353-Y429 HydrophobicContact CB-CE1 3.64Å; P353-Y429 HydrophobicContact CB-CG 4.28Å; R371-Y429 HydrophobicContact CB-CE1 4.39Å; R371-Y429 WeakPolarHBondContact CB-OH 3.44Å; R371-Y429 WeakPolarHBondContact CD-OH 3.33Å; R371-Y429 VanDerWaalsContact NH1-CD2 3.33Å; Y377-Y429 HydrophobicContact CD1-CD1 4.01Å; Y421-Y429 HydrophobicContact CD1-CD2 4.13Å; Y421-Y429 AromaticContact CD1-CE2 3.48Å; Y421-Y429 HydrophobicContact CD1-CE2 3.48Å; Y421-Y429 VanDerWaalsContact CD1-CE2 3.48Å; Y421-Y429 AromaticContact CD2-CD2 3.7Å; Y421-Y429 HydrophobicContact CD2-CD2 3.7Å; Y421-Y429 AromaticContact CD2-CE2 3.8Å; Y421-Y429 HydrophobicContact CD2-CE2 3.8Å; Y421-Y429 AromaticContact CE1-CD2 3.99Å; Y421-Y429 HydrophobicContact CE1-CD2 3.99Å; Y421-Y429 AromaticContact CE1-CE2 3.62Å; Y421-Y429 HydrophobicContact CE1-CE2 3.62Å; Y421-Y429 AromaticContact CE2-CD2 3.52Å; Y421-Y429 HydrophobicContact CE2-CD2 3.52Å; Y421-Y429 AromaticContact CE2-CE2 3.91Å; Y421-Y429 HydrophobicContact CE2-CE2 3.91Å; Y421-Y429 HydrophobicContact CG-CD2 4.02Å; Y421-Y429 AromaticContact CG-CE2 3.59Å; Y421-Y429 HydrophobicContact CG-CE2 3.59Å; Y421-Y429 AromaticContact CZ-CD2 3.68Å; Y421-Y429 AromaticContact CZ-CE2 3.83Å; V427-Y429 VanDerWaalsContact C-N 3.33Å; V427-Y429 PolarHBondContact O-N 3.09Å; V427-Y429 VanDerWaalsContact O-N 3.14Å; Y429-V432 PolarHBondContact O-N 3.1Å; Y429-T433 PolarHBondContact O-N 3.07Å; Y429-T433 PolarHBondContact O-OG1 3.02Å
430	L	98.8	Very high	98.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-38.1	171.4	-54.9	173.4	0	0	0	111.1	Q170 G174 I406 M408 V427 V428 T433 R434	Q170-L430 HydrophobicContact CB-CD1 3.62Å; Q170-L430 HydrophobicContact CB-CD2 4.41Å; Q170-L430 HydrophobicContact CG-CD1 3.75Å; G174-L430 WeakPolarHBondContact CA-O 3.36Å; I406-L430 HydrophobicContact CB-CD2 4.47Å; I406-L430 HydrophobicContact CD1-CD2 3.95Å; I406-L430 HydrophobicContact CG1-CD2 4.06Å; M408-L430 HydrophobicContact CG-CD1 4.1Å; V427-L430 HydrophobicContact CG2-CB 4.21Å; V427-L430 HydrophobicContact CG2-CD1 4.15Å; V427-L430 WeakPolarHBondContact O-CB 3.31Å; V427-L430 PolarHBondContact O-N 3.36Å; V428-L430 VanDerWaalsContact C-N 3.34Å; V428-L430 PolarHBondContact O-N 3.23Å; L430-T433 PolarHBondContact O-N 3.11Å; L430-R434 WeakPolarHBondContact O-CB 3.38Å; L430-R434 PolarHBondContact O-N 2.76Å
431	E	98.6	Very high	98.1	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-41.8	174.7	-66.4	179	155.5	0	0	112	V427 V428 R434 K435	V427-E431 HydrophobicContact CG1-CG 4.15Å; V427-E431 HydrophobicContact CG2-CG 4.29Å; V427-E431 PolarHBondContact O-N 3.11Å; V427-E431 VanDerWaalsContact O-N 3.1Å; V428-E431 WeakPolarHBondContact O-CB 3.28Å; V428-E431 PolarHBondContact O-N 3.07Å; E431-R434 PolarHBondContact O-N 3.01Å; E431-K435 PolarHBondContact O-N 2.88Å
432	V	98.8	Very high	97.9	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-46.4	173.5	175.4	0	0	0	0	110.3	Y377 E378 L381 V428 Y429 R434 K435 W436	Y377-V432 HydrophobicContact CD1-CB 4.06Å; Y377-V432 HydrophobicContact CD1-CG1 3.51Å; Y377-V432 HydrophobicContact CE1-CB 4.34Å; Y377-V432 HydrophobicContact CE1-CG1 3.98Å; Y377-V432 HydrophobicContact CG-CG1 4.39Å; E378-V432 HydrophobicContact CG-CG1 3.91Å; L381-V432 HydrophobicContact CD1-CG1 4.01Å; V428-V432 WeakPolarHBondContact O-CG2 3.41Å; V428-V432 PolarHBondContact O-N 2.85Å; Y429-V432 PolarHBondContact O-N 3.1Å; V432-R434 VanDerWaalsContact C-N 3.34Å; V432-R434 PolarHBondContact O-N 3Å; V432-K435 WeakPolarHBondContact O-CB 3.37Å; V432-K435 PolarHBondContact O-N 3.47Å; V432-W436 VanDerWaalsContact O-CD1 3.32Å; V432-W436 PolarHBondContact O-N 3.23Å
433	T	98.9	Very high	97.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-46	176	-54.5	0	0	0	0	111.4	I98 G174 I176 Y377 I394 Y429 L430 K435 W436 A437	I98-T433 HydrophobicContact CG2-CG2 4.34Å; G174-T433 CarbonylContact O-C 2.92Å; G174-T433 WeakPolarHBondContact O-CG2 3.44Å; I176-T433 HydrophobicContact CD1-CG2 4Å; I176-T433 HydrophobicContact CG1-CG2 3.75Å; Y377-T433 WeakPolarHBondContact CE1-OG1 3.47Å; Y377-T433 PolarHBondContact OH-OG1 2.92Å; I394-T433 HydrophobicContact CD1-CG2 3.4Å; Y429-T433 PolarHBondContact O-N 3.07Å; Y429-T433 PolarHBondContact O-OG1 3.02Å; L430-T433 PolarHBondContact O-N 3.11Å; T433-K435 PolarHBondContact O-N 3.08Å; T433-W436 PolarHBondContact O-N 3.37Å; T433-A437 VanDerWaalsContact O-CB 3.31Å; T433-A437 WeakPolarHBondContact O-CB 3.34Å; T433-A437 PolarHBondContact O-N 3.39Å
434	R	98.7	Very high	97.1	Very high	95 Å²	95	49.4 Å²	49.4	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-58.2	-47.1	177.8	-177.1	-169.1	-58.3	173.8	4	111.9	P92 A173 G174 A175 L430 E431 V432 W436 A437 A438	P92-R434 HydrophobicContact CG-CG 4.14Å; A173-R434 PolarHBondContact O-NE 3.4Å; A173-R434 PolarHBondContact O-NH2 3.41Å; G174-R434 WeakPolarHBondContact O-CA 3.47Å; G174-R434 PolarHBondContact O-N 2.92Å; A175-R434 HydrophobicContact CB-CG 4.29Å; L430-R434 WeakPolarHBondContact O-CB 3.38Å; L430-R434 PolarHBondContact O-N 2.76Å; E431-R434 PolarHBondContact O-N 3.01Å; V432-R434 VanDerWaalsContact C-N 3.34Å; V432-R434 PolarHBondContact O-N 3Å; R434-W436 VanDerWaalsContact C-N 3.33Å; R434-W436 PolarHBondContact O-N 3.18Å; R434-A437 PolarHBondContact O-N 3.48Å; R434-A438 PolarHBondContact O-N 3.18Å; R434-A438 VanDerWaalsContact O-N 3.16Å
435	K	98.6	Very high	96.5	Very high	109 Å²	109	51.8 Å²	51.8	47%	0.474	25%	0.254	S	S	.	.	H	α-helix	trans	-55.5	-50.4	177.6	173.5	-170.9	169	-170.7	0	110.4	E378 E431 V432 T433 A438 I439	E378-K435 IonicContact OE1-NZ 2.89Å; E378-K435 PolarHBondContact OE1-NZ 3.27Å; E431-K435 PolarHBondContact O-N 2.88Å; V432-K435 WeakPolarHBondContact O-CB 3.37Å; V432-K435 PolarHBondContact O-N 3.47Å; T433-K435 PolarHBondContact O-N 3.08Å; K435-A438 PolarHBondContact O-N 3.15Å; K435-I439 HydrophobicContact CG-CD1 4.13Å; K435-I439 WeakPolarHBondContact O-CG1 3.4Å; K435-I439 PolarHBondContact O-N 3Å; K435-I439 VanDerWaalsContact O-N 3.14Å
436	W	98.6	Very high	95.7	Very high	29 Å²	29	51.5 Å²	51.5	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-74.1	-31.6	-176.7	-79.5	94.1	0	0	0	113.6	E378 L381 S382 L385 V432 T433 R434 A438 I439 F440	E378-W436 HydrophobicContact CB-CZ2 4.17Å; E378-W436 WeakPolarHBondContact O-CZ2 3.49Å; E378-W436 PolarHBondContact OE1-NE1 2.85Å; L381-W436 HydrophobicContact CB-CB 4.2Å; L381-W436 HydrophobicContact CB-CD2 3.46Å; L381-W436 VanDerWaalsContact CB-CD2 3.46Å; L381-W436 HydrophobicContact CB-CE3 3.7Å; L381-W436 HydrophobicContact CB-CG 3.7Å; L381-W436 HydrophobicContact CB-CZ2 4.39Å; L381-W436 HydrophobicContact CB-CZ3 4.27Å; L381-W436 HydrophobicContact CD1-CB 3.84Å; L381-W436 VanDerWaalsContact CD1-CD1 3.49Å; L381-W436 HydrophobicContact CD1-CD2 4.23Å; L381-W436 HydrophobicContact CD1-CG 3.57Å; L381-W436 HydrophobicContact CD2-CB 3.98Å; L381-W436 HydrophobicContact CD2-CG 4.36Å; L381-W436 HydrophobicContact CG-CB 4.24Å; L381-W436 HydrophobicContact CG-CD2 4.36Å; L381-W436 HydrophobicContact CG-CG 4.08Å; S382-W436 VanDerWaalsContact CA-CZ3 3.45Å; S382-W436 VanDerWaalsContact CB-CH2 3.41Å; L385-W436 HydrophobicContact CD2-CZ3 3.99Å; V432-W436 VanDerWaalsContact O-CD1 3.32Å; V432-W436 PolarHBondContact O-N 3.23Å; T433-W436 PolarHBondContact O-N 3.37Å; R434-W436 VanDerWaalsContact C-N 3.33Å; R434-W436 PolarHBondContact O-N 3.18Å; W436-A438 VanDerWaalsContact C-N 3.26Å; W436-A438 PolarHBondContact O-N 3.21Å; W436-I439 HydrophobicContact CD2-CD1 4.24Å; W436-I439 HydrophobicContact CE3-CD1 4.26Å; W436-I439 HydrophobicContact CE3-CG2 4.44Å; W436-I439 PolarHBondContact O-N 3.17Å; W436-F440 VanDerWaalsContact O-CB 3.27Å; W436-F440 WeakPolarHBondContact O-CB 3.45Å; W436-F440 PolarHBondContact O-N 2.99Å
437	A	98.3	Very high	94.6	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-37.3	171.3	0	0	0	0	0	111.9	N95 I98 A175 T433 R434 S441	N95-A437 HydrophobicContact CB-CB 4.38Å; N95-A437 PolarHBondContact ND2-O 2.82Å; N95-A437 VanDerWaalsContact ND2-O 3.15Å; I98-A437 HydrophobicContact CG1-CB 3.91Å; A175-A437 HydrophobicContact CB-CB 4.07Å; T433-A437 VanDerWaalsContact O-CB 3.31Å; T433-A437 WeakPolarHBondContact O-CB 3.34Å; T433-A437 PolarHBondContact O-N 3.39Å; R434-A437 PolarHBondContact O-N 3.48Å; A437-S441 WeakPolarHBondContact O-CB 3.38Å; A437-S441 PolarHBondContact O-N 3.3Å; A437-S441 PolarHBondContact O-OG 2.94Å
438	A	97.8	Very high	93	Very high	51 Å²	51	60.8 Å²	60.8	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-44.6	174.6	0	0	0	0	0	112.1	R434 K435 W436 S441 N442	R434-A438 PolarHBondContact O-N 3.18Å; R434-A438 VanDerWaalsContact O-N 3.16Å; K435-A438 PolarHBondContact O-N 3.15Å; W436-A438 VanDerWaalsContact C-N 3.26Å; W436-A438 PolarHBondContact O-N 3.21Å; A438-S441 PolarHBondContact O-N 3.24Å; A438-N442 PolarHBondContact O-N 3.09Å; A438-N442 VanDerWaalsContact O-N 3.11Å; A438-N442 PolarHBondContact O-ND2 3.33Å
439	I	97.9	Very high	90.9	Very high	52 Å²	52	70.5 Å²	70.5	27%	0.267	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-50.9	175.3	-65.7	168	0	0	0	110.1	L385 K435 W436 S441 N442 E443	L385-I439 HydrophobicContact CD2-CG2 3.61Å; K435-I439 HydrophobicContact CG-CD1 4.13Å; K435-I439 WeakPolarHBondContact O-CG1 3.4Å; K435-I439 PolarHBondContact O-N 3Å; K435-I439 VanDerWaalsContact O-N 3.14Å; W436-I439 HydrophobicContact CD2-CD1 4.24Å; W436-I439 HydrophobicContact CE3-CD1 4.26Å; W436-I439 HydrophobicContact CE3-CG2 4.44Å; W436-I439 PolarHBondContact O-N 3.17Å; I439-S441 VanDerWaalsContact C-N 3.33Å; I439-S441 PolarHBondContact O-N 3.46Å; I439-N442 PolarHBondContact O-N 3.23Å; I439-N442 VanDerWaalsContact O-N 3.1Å; I439-E443 PolarHBondContact O-N 3.1Å
440	F	96.8	Very high	90.5	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-42.3	179.4	-177.9	-115.9	0	0	0	112.5	N97 I98 L385 A389 I392 W436 N442 R444	N97-F440 HydrophobicContact CB-CE1 3.77Å; I98-F440 HydrophobicContact CD1-CD1 3.71Å; I98-F440 HydrophobicContact CD1-CE1 4.21Å; I98-F440 HydrophobicContact CD1-CG 4.39Å; L385-F440 HydrophobicContact CD1-CB 4.49Å; L385-F440 HydrophobicContact CD1-CD2 3.74Å; A389-F440 HydrophobicContact CB-CE2 4.19Å; A389-F440 WeakPolarHBondContact O-CE2 3.35Å; A389-F440 WeakPolarHBondContact O-CZ 3.18Å; I392-F440 HydrophobicContact CD1-CB 4.43Å; I392-F440 HydrophobicContact CD1-CD1 4.37Å; I392-F440 HydrophobicContact CD1-CD2 3.68Å; I392-F440 HydrophobicContact CD1-CE2 3.94Å; I392-F440 HydrophobicContact CD1-CG 3.92Å; I392-F440 HydrophobicContact CD1-CZ 4.36Å; I392-F440 HydrophobicContact CG1-CD2 4.29Å; I392-F440 HydrophobicContact CG1-CE1 4.4Å; I392-F440 HydrophobicContact CG1-CE2 4.04Å; I392-F440 HydrophobicContact CG1-CZ 4.09Å; W436-F440 VanDerWaalsContact O-CB 3.27Å; W436-F440 WeakPolarHBondContact O-CB 3.45Å; W436-F440 PolarHBondContact O-N 2.99Å; F440-N442 VanDerWaalsContact C-N 3.31Å; F440-N442 PolarHBondContact O-N 2.96Å; F440-R444 HydrophobicContact CD2-CG 4.39Å; F440-R444 HydrophobicContact CE1-CG 4.43Å; F440-R444 HydrophobicContact CE2-CG 4.05Å; F440-R444 VanDerWaalsContact CZ-CD 3.42Å; F440-R444 HydrophobicContact CZ-CG 4.08Å; F440-R444 WeakPolarHBondContact O-CB 3.24Å; F440-R444 WeakPolarHBondContact O-CG 3.24Å; F440-R444 PolarHBondContact O-N 3.46Å
441	S	94.4	Very high	90.1	Very high	39 Å²	39	77.6 Å²	77.6	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-38.1	176.3	-61.4	0	0	0	0	112.9	N95 A437 A438 I439 K445	N95-S441 PolarHBondContact ND2-OG 3.09Å; A437-S441 WeakPolarHBondContact O-CB 3.38Å; A437-S441 PolarHBondContact O-N 3.3Å; A437-S441 PolarHBondContact O-OG 2.94Å; A438-S441 PolarHBondContact O-N 3.24Å; I439-S441 VanDerWaalsContact C-N 3.33Å; I439-S441 PolarHBondContact O-N 3.46Å; S441-K445 WeakPolarHBondContact O-CG 3.4Å; S441-K445 PolarHBondContact O-N 2.86Å
442	N	94.1	Very high	89.6	Confident	88 Å²	88	76.3 Å²	76.3	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-73.3	-44	-178.7	-71.8	-19.6	0	0	0	111.7	A438 I439 F440 K445 R446	A438-N442 PolarHBondContact O-N 3.09Å; A438-N442 VanDerWaalsContact O-N 3.11Å; A438-N442 PolarHBondContact O-ND2 3.33Å; I439-N442 PolarHBondContact O-N 3.23Å; I439-N442 VanDerWaalsContact O-N 3.1Å; F440-N442 VanDerWaalsContact C-N 3.31Å; F440-N442 PolarHBondContact O-N 2.96Å; N442-K445 PolarHBondContact O-N 3.4Å; N442-R446 PolarHBondContact O-N 3.4Å
443	E	92.1	Very high	89	Confident	54 Å²	54	79.7 Å²	79.7	25%	0.252	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-40.5	176.7	-64.9	-53.4	150	0	0	111.7	L385 I439 K445 R446 W447	L385-E443 HydrophobicContact CD1-CB 3.87Å; L385-E443 HydrophobicContact CD1-CG 3.98Å; L385-E443 HydrophobicContact CD2-CG 4.21Å; I439-E443 PolarHBondContact O-N 3.1Å; E443-K445 VanDerWaalsContact C-N 3.27Å; E443-K445 PolarHBondContact O-N 3.46Å; E443-R446 VanDerWaalsContact CD-NH1 3.26Å; E443-R446 WeakPolarHBondContact O-CB 3.36Å; E443-R446 PolarHBondContact O-N 3.49Å; E443-R446 IonicContact OE1-CZ 3.51Å; E443-R446 IonicContact OE1-NH1 3.49Å; E443-R446 PolarHBondContact OE1-NH1 3.47Å; E443-R446 IonicContact OE2-NH1 3.42Å; E443-R446 PolarHBondContact OE2-NH1 2.95Å; E443-W447 PolarHBondContact O-N 3.4Å; E443-W447 VanDerWaalsContact O-N 3.13Å
444	R	85.8	Confident	88.4	Confident	63 Å²	63	84.5 Å²	84.5	24%	0.238	39%	0.392	C	S	.	.	H	α-helix	trans	-61.1	-33.1	175.6	-80.3	-161.7	63.8	-173.6	-4.8	113.8	N97 D390 F440 W447 L448	N97-R444 PolarHBondContact ND2-NH1 3.28Å; N97-R444 VanDerWaalsContact ND2-NH1 3.19Å; N97-R444 PolarHBondContact OD1-NH1 3.18Å; D390-R444 PolarHBondContact O-NH1 3.44Å; F440-R444 HydrophobicContact CD2-CG 4.39Å; F440-R444 HydrophobicContact CE1-CG 4.43Å; F440-R444 HydrophobicContact CE2-CG 4.05Å; F440-R444 VanDerWaalsContact CZ-CD 3.42Å; F440-R444 HydrophobicContact CZ-CG 4.08Å; F440-R444 WeakPolarHBondContact O-CB 3.24Å; F440-R444 WeakPolarHBondContact O-CG 3.24Å; F440-R444 PolarHBondContact O-N 3.46Å; R444-W447 HydrophobicContact CG-CE3 4.08Å; R444-W447 HydrophobicContact CG-CZ3 4.04Å; R444-W447 PolarHBondContact O-N 3.47Å; R444-L448 WeakPolarHBondContact O-CG 3.49Å
445	K	85.1	Confident	87.7	Confident	130 Å²	130	83.8 Å²	83.8	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-66.3	-40.3	174.3	-74.8	174.4	-177.8	178.6	0	111.4	S441 N442 E443 W447 L448 E449	S441-K445 WeakPolarHBondContact O-CG 3.4Å; S441-K445 PolarHBondContact O-N 2.86Å; N442-K445 PolarHBondContact O-N 3.4Å; E443-K445 VanDerWaalsContact C-N 3.27Å; E443-K445 PolarHBondContact O-N 3.46Å; K445-W447 VanDerWaalsContact C-N 3.3Å; K445-W447 PolarHBondContact O-N 3.21Å; K445-L448 PolarHBondContact O-N 3.24Å; K445-L448 VanDerWaalsContact O-N 3.17Å; K445-E449 PolarHBondContact O-N 3.14Å
446	R	81.6	Confident	87	Confident	148 Å²	148	82 Å²	82	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-65.9	-29.4	177.6	-67.2	178.9	-178.3	157.7	1.6	113.5	N442 E443 L448	N442-R446 PolarHBondContact O-N 3.4Å; E443-R446 VanDerWaalsContact CD-NH1 3.26Å; E443-R446 WeakPolarHBondContact O-CB 3.36Å; E443-R446 PolarHBondContact O-N 3.49Å; E443-R446 IonicContact OE1-CZ 3.51Å; E443-R446 IonicContact OE1-NH1 3.49Å; E443-R446 PolarHBondContact OE1-NH1 3.47Å; E443-R446 IonicContact OE2-NH1 3.42Å; E443-R446 PolarHBondContact OE2-NH1 2.95Å; R446-L448 VanDerWaalsContact C-N 3.28Å
447	W	75.3	Confident	86.1	Confident	130 Å²	130	86.1 Å²	86.1	49%	0.492	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18	175.2	-62.6	-20.5	0	0	0	113.8	E443 R444 K445	E443-W447 PolarHBondContact O-N 3.4Å; E443-W447 VanDerWaalsContact O-N 3.13Å; R444-W447 HydrophobicContact CG-CE3 4.08Å; R444-W447 HydrophobicContact CG-CZ3 4.04Å; R444-W447 PolarHBondContact O-N 3.47Å; K445-W447 VanDerWaalsContact C-N 3.3Å; K445-W447 PolarHBondContact O-N 3.21Å
448	L	64.9	Low	85.1	Confident	145 Å²	145	93.1 Å²	93.1	76%	0.759	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9.6	-179.8	-66.5	171.7	0	0	0	113	R444 K445 R446	R444-L448 WeakPolarHBondContact O-CG 3.49Å; K445-L448 PolarHBondContact O-N 3.24Å; K445-L448 VanDerWaalsContact O-N 3.17Å; R446-L448 VanDerWaalsContact C-N 3.28Å
449	E	55	Low	83.9	Confident	215 Å²	215	96.9 Å²	96.9	100%	1.005	44%	0.444	S	S	*	.			trans	-89.9	0	169.1	-70	175.1	-175.8	0	0	109.8	K445	K445-E449 PolarHBondContact O-N 3.14Å

Retrieved 449 of 449 residues in 3488.1 ms (Link to these results)

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