A0A087Y789_POEFO Loading...

Beta-1,3-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087Y789, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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	47.5	Very low	43.4	Very low	222 Å²	222	150 Å²	150	100%	1.094	67%	0.674	S	S	*	*				0	-39.3	0	-71.7	157.3	76.6	0	0	113.8	K3 R4	M1-K3 PolarHBondContact O-N 2.96Å; M1-R4 PolarHBondContact O-N 3.01Å
2	H	38.6	Very low	44.2	Very low	134 Å²	134	145.5 Å²	145.5	62%	0.62	67%	0.666	S	S	*	*	H	α-helix	trans	-47.5	-46.2	-175.1	-129.5	-26.5	0	0	0	116.5	R4 W5 T6	H2-R4 VanDerWaalsContact C-N 3.26Å; H2-R4 PolarHBondContact O-N 2.79Å; H2-R4 VanDerWaalsContact O-N 3.17Å; H2-W5 PolarHBondContact O-N 2.76Å; H2-W5 VanDerWaalsContact O-N 3.1Å; H2-T6 PolarHBondContact O-N 2.97Å; H2-T6 PolarHBondContact O-OG1 2.7Å
3	K	36.3	Very low	44.4	Very low	186 Å²	186	143.2 Å²	143.2	81%	0.809	66%	0.661	S	S	*	*	H	α-helix	trans	-60.7	-22.8	-177.8	-78.2	-173.9	175.5	179.9	0	115.4	M1 T6 R7	M1-K3 PolarHBondContact O-N 2.96Å; K3-T6 PolarHBondContact O-OG1 2.9Å; K3-R7 WeakPolarHBondContact O-CB 3.25Å; K3-R7 PolarHBondContact O-N 3.31Å
4	R	42.8	Very low	44.5	Very low	218 Å²	218	138.6 Å²	138.6	82%	0.823	64%	0.643	S	S	*	*	H	α-helix	trans	-81.4	-30.2	176.2	-96.6	-177.2	170.3	178.2	-3.4	112.3	M1 H2 R8	M1-R4 PolarHBondContact O-N 3.01Å; H2-R4 VanDerWaalsContact C-N 3.26Å; H2-R4 PolarHBondContact O-N 2.79Å; H2-R4 VanDerWaalsContact O-N 3.17Å; R4-R8 PolarHBondContact O-N 2.75Å
5	W	40.9	Very low	44.8	Very low	175 Å²	175	138.5 Å²	138.5	66%	0.663	64%	0.64	S	S	*	*	H	α-helix	trans	-75.8	-48.5	177.7	-178.6	26.6	0	0	0	111.1	H2 R7 R8 S9	H2-W5 PolarHBondContact O-N 2.76Å; H2-W5 VanDerWaalsContact O-N 3.1Å; W5-R7 VanDerWaalsContact C-N 3.28Å; W5-R7 PolarHBondContact O-N 2.74Å; W5-R8 PolarHBondContact O-N 3.17Å; W5-S9 PolarHBondContact O-N 3.36Å; W5-S9 PolarHBondContact O-OG 3.47Å
6	T	44.6	Very low	45	Very low	77 Å²	77	134.4 Å²	134.4	47%	0.472	63%	0.629	S	S	.	*	H	α-helix	trans	-57.9	-40.2	176.6	53.5	0	0	0	0	112.2	H2 K3 R8 S9 L10	H2-T6 PolarHBondContact O-N 2.97Å; H2-T6 PolarHBondContact O-OG1 2.7Å; K3-T6 PolarHBondContact O-OG1 2.9Å; T6-R8 VanDerWaalsContact C-N 3.34Å; T6-R8 PolarHBondContact O-N 2.81Å; T6-S9 PolarHBondContact O-N 3.49Å; T6-L10 VanDerWaalsContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 2.92Å
7	R	45.1	Very low	45.3	Very low	195 Å²	195	134.5 Å²	134.5	74%	0.736	63%	0.626	S	S	*	*	H	α-helix	trans	-66.3	-31.2	176.6	-161	175.6	-173.4	-171.1	1.5	113.4	K3 W5 V11	K3-R7 WeakPolarHBondContact O-CB 3.25Å; K3-R7 PolarHBondContact O-N 3.31Å; W5-R7 VanDerWaalsContact C-N 3.28Å; W5-R7 PolarHBondContact O-N 2.74Å; R7-V11 VanDerWaalsContact O-CG2 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.43Å; R7-V11 PolarHBondContact O-N 3.05Å
8	R	47.6	Very low	45.6	Very low	197 Å²	197	134.4 Å²	134.4	74%	0.743	62%	0.624	S	S	*	*	H	α-helix	trans	-75	-46	174.2	-78.4	-179.2	170.8	-177.9	-5	111.8	R4 W5 T6 L10 V11 V12	R4-R8 PolarHBondContact O-N 2.75Å; W5-R8 PolarHBondContact O-N 3.17Å; T6-R8 VanDerWaalsContact C-N 3.34Å; T6-R8 PolarHBondContact O-N 2.81Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.91Å; R8-V11 PolarHBondContact O-N 3.17Å; R8-V12 WeakPolarHBondContact O-CG2 3.43Å; R8-V12 PolarHBondContact O-N 2.89Å
9	S	44.6	Very low	46.1	Very low	52 Å²	52	132.3 Å²	132.3	36%	0.364	62%	0.617	S	S	.	*	H	α-helix	trans	-61.7	-37.2	175.9	-56.2	0	0	0	0	112.2	W5 T6 V12 L13	W5-S9 PolarHBondContact O-N 3.36Å; W5-S9 PolarHBondContact O-OG 3.47Å; T6-S9 PolarHBondContact O-N 3.49Å; S9-V12 PolarHBondContact O-N 2.68Å; S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 3.48Å
10	L	39.4	Very low	46.6	Very low	104 Å²	104	130.5 Å²	130.5	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-64.7	-41.8	175.8	-166.1	75.4	0	0	0	112	T6 R8 L13 I14	T6-L10 VanDerWaalsContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CB 3.47Å; T6-L10 PolarHBondContact O-N 2.92Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.96Å; L10-I14 HydrophobicContact CD2-CD1 4.34Å; L10-I14 HydrophobicContact CG-CD1 3.91Å; L10-I14 WeakPolarHBondContact O-CB 3.02Å; L10-I14 WeakPolarHBondContact O-CD1 3.39Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 3.32Å
11	V	49.9	Very low	47	Very low	90 Å²	90	127.2 Å²	127.2	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-65.8	-39.9	176.6	169.4	0	0	0	0	111.6	R7 R8 I14 F15	R7-V11 VanDerWaalsContact O-CG2 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.43Å; R7-V11 PolarHBondContact O-N 3.05Å; R8-V11 PolarHBondContact O-N 3.17Å; V11-I14 PolarHBondContact O-N 3.08Å; V11-F15 WeakPolarHBondContact O-CB 3.38Å; V11-F15 PolarHBondContact O-N 3.02Å
12	V	53.1	Low	47.5	Very low	96 Å²	96	123 Å²	123	58%	0.582	58%	0.579	S	S	*	*	H	α-helix	trans	-63.7	-47	175.1	174	0	0	0	0	111.1	R8 S9 I14 F15 T16	R8-V12 WeakPolarHBondContact O-CG2 3.43Å; R8-V12 PolarHBondContact O-N 2.89Å; S9-V12 PolarHBondContact O-N 2.68Å; V12-I14 VanDerWaalsContact C-N 3.35Å; V12-I14 PolarHBondContact O-N 3.42Å; V12-F15 PolarHBondContact O-N 3.46Å; V12-T16 PolarHBondContact O-N 2.94Å; V12-T16 PolarHBondContact O-OG1 2.91Å; V12-T16 VanDerWaalsContact O-OG1 3.07Å
13	L	46.1	Very low	47.9	Very low	115 Å²	115	120 Å²	120	60%	0.602	57%	0.571	S	S	*	*	H	α-helix	trans	-59.9	-41.4	175.5	-94.2	160.2	0	0	0	112.8	S9 L10 F15 T16 F17	S9-L13 WeakPolarHBondContact O-CB 3.39Å; S9-L13 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 2.96Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-T16 PolarHBondContact O-OG1 2.75Å; L13-F17 WeakPolarHBondContact O-CB 3Å; L13-F17 PolarHBondContact O-N 3.04Å
14	I	47.1	Very low	48.4	Very low	80 Å²	80	115.2 Å²	115.2	41%	0.41	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-41	176	-73.5	166.2	0	0	0	110.4	L10 V11 V12 F17 F18	L10-I14 HydrophobicContact CD2-CD1 4.34Å; L10-I14 HydrophobicContact CG-CD1 3.91Å; L10-I14 WeakPolarHBondContact O-CB 3.02Å; L10-I14 WeakPolarHBondContact O-CD1 3.39Å; L10-I14 WeakPolarHBondContact O-CG1 3.35Å; L10-I14 PolarHBondContact O-N 3.32Å; V11-I14 PolarHBondContact O-N 3.08Å; V12-I14 VanDerWaalsContact C-N 3.35Å; V12-I14 PolarHBondContact O-N 3.42Å; I14-F17 PolarHBondContact O-N 3.26Å; I14-F18 HydrophobicContact CG2-CD2 3.61Å; I14-F18 HydrophobicContact CG2-CE2 3.56Å; I14-F18 WeakPolarHBondContact O-CD2 3.26Å; I14-F18 PolarHBondContact O-N 3.11Å
15	F	48.1	Very low	48.3	Very low	136 Å²	136	111.6 Å²	111.6	60%	0.596	54%	0.544	S	S	*	.	H	α-helix	trans	-71.6	-42.5	-177.8	-157.2	-98.6	0	0	0	112.9	V11 V12 L13 F17 F18 I19	V11-F15 WeakPolarHBondContact O-CB 3.38Å; V11-F15 PolarHBondContact O-N 3.02Å; V12-F15 PolarHBondContact O-N 3.46Å; L13-F15 VanDerWaalsContact C-N 3.34Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F15-F18 PolarHBondContact O-N 2.03Å; F15-I19 HydrophobicContact CD1-CD1 3.97Å; F15-I19 HydrophobicContact CE1-CD1 3.9Å; F15-I19 PolarHBondContact O-N 3Å; F15-I19 VanDerWaalsContact O-N 3.08Å
16	T	49	Very low	48.9	Very low	74 Å²	74	107 Å²	107	45%	0.454	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-37.6	171.5	44.2	0	0	0	0	111.9	V12 L13 F18 I19 V20	V12-T16 PolarHBondContact O-N 2.94Å; V12-T16 PolarHBondContact O-OG1 2.91Å; V12-T16 VanDerWaalsContact O-OG1 3.07Å; L13-T16 PolarHBondContact O-OG1 2.75Å; T16-F18 PolarHBondContact O-N 3.1Å; T16-I19 PolarHBondContact O-N 2.71Å; T16-V20 WeakPolarHBondContact O-CG2 3.26Å; T16-V20 PolarHBondContact O-N 3.22Å
17	F	48.8	Very low	48.9	Very low	135 Å²	135	108.4 Å²	108.4	59%	0.592	53%	0.534	S	S	*	.	H	α-helix	trans	-61.5	-41	172.7	-175.5	-101.8	0	0	0	112	L13 I14 F15 V20 V21	L13-F17 WeakPolarHBondContact O-CB 3Å; L13-F17 PolarHBondContact O-N 3.04Å; I14-F17 PolarHBondContact O-N 3.26Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F17-V20 PolarHBondContact O-N 3.01Å; F17-V21 HydrophobicContact CD1-CG2 3.99Å; F17-V21 HydrophobicContact CD2-CG2 4.14Å; F17-V21 HydrophobicContact CE1-CG2 3.65Å; F17-V21 HydrophobicContact CE2-CG2 3.81Å; F17-V21 HydrophobicContact CG-CG2 4.23Å; F17-V21 HydrophobicContact CZ-CG2 3.56Å; F17-V21 VanDerWaalsContact O-CB 3.31Å; F17-V21 WeakPolarHBondContact O-CB 3.47Å; F17-V21 VanDerWaalsContact O-CG2 3.28Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 3.43Å
18	F	51.3	Low	48.7	Very low	133 Å²	133	108.2 Å²	108.2	58%	0.583	53%	0.533	S	S	*	.	H	α-helix	trans	-64.7	-39.2	175.3	-89.8	-64.5	0	0	0	113.1	I14 F15 T16 F22	I14-F18 HydrophobicContact CG2-CD2 3.61Å; I14-F18 HydrophobicContact CG2-CE2 3.56Å; I14-F18 WeakPolarHBondContact O-CD2 3.26Å; I14-F18 PolarHBondContact O-N 3.11Å; F15-F18 PolarHBondContact O-N 2.03Å; T16-F18 PolarHBondContact O-N 3.1Å; F18-F22 WeakPolarHBondContact O-CB 3.16Å; F18-F22 PolarHBondContact O-N 3.2Å
19	I	55.2	Low	48.4	Very low	95 Å²	95	103.4 Å²	103.4	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-48.6	174.4	-67.1	169.7	0	0	0	110.3	F15 T16 F22 V23	F15-I19 HydrophobicContact CD1-CD1 3.97Å; F15-I19 HydrophobicContact CE1-CD1 3.9Å; F15-I19 PolarHBondContact O-N 3Å; F15-I19 VanDerWaalsContact O-N 3.08Å; T16-I19 PolarHBondContact O-N 2.71Å; I19-F22 PolarHBondContact O-N 2.71Å; I19-V23 WeakPolarHBondContact O-CG2 3Å; I19-V23 PolarHBondContact O-N 2.78Å
20	V	56.8	Low	48.3	Very low	96 Å²	96	103.8 Å²	103.8	58%	0.582	53%	0.532	S	S	*	.	H	α-helix	trans	-62.8	-45.3	179.8	171.5	0	0	0	0	111.7	T16 F17 V23 D24	T16-V20 WeakPolarHBondContact O-CG2 3.26Å; T16-V20 PolarHBondContact O-N 3.22Å; F17-V20 PolarHBondContact O-N 3.01Å; V20-V23 PolarHBondContact O-N 2.9Å; V20-D24 WeakPolarHBondContact O-CB 3.29Å; V20-D24 PolarHBondContact O-N 3.25Å
21	V	54.6	Low	48	Very low	61 Å²	61	102.8 Å²	102.8	37%	0.37	54%	0.535	S	S	.	.	H	α-helix	trans	-68.1	-35.9	178.2	170.3	0	0	0	0	111.8	F17 F25	F17-V21 HydrophobicContact CD1-CG2 3.99Å; F17-V21 HydrophobicContact CD2-CG2 4.14Å; F17-V21 HydrophobicContact CE1-CG2 3.65Å; F17-V21 HydrophobicContact CE2-CG2 3.81Å; F17-V21 HydrophobicContact CG-CG2 4.23Å; F17-V21 HydrophobicContact CZ-CG2 3.56Å; F17-V21 VanDerWaalsContact O-CB 3.31Å; F17-V21 WeakPolarHBondContact O-CB 3.47Å; F17-V21 VanDerWaalsContact O-CG2 3.28Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 3.43Å; V21-F25 WeakPolarHBondContact O-CB 3.44Å; V21-F25 PolarHBondContact O-N 3.07Å
22	F	56.6	Low	47.4	Very low	133 Å²	133	108 Å²	108	58%	0.583	55%	0.55	S	S	*	*	H	α-helix	trans	-65.9	-40.7	175.1	-173.1	-99.8	0	0	0	111.5	F18 I19 Q26	F18-F22 WeakPolarHBondContact O-CB 3.16Å; F18-F22 PolarHBondContact O-N 3.2Å; I19-F22 PolarHBondContact O-N 2.71Å; F22-Q26 HydrophobicContact CE1-CG 4.33Å; F22-Q26 WeakPolarHBondContact O-CG 3.07Å; F22-Q26 PolarHBondContact O-N 3.27Å; F22-Q26 VanDerWaalsContact O-N 3.14Å
23	V	48.9	Very low	46.1	Very low	73 Å²	73	110.3 Å²	110.3	44%	0.442	56%	0.564	S	S	.	*	H	α-helix	trans	-66.6	-48	174.8	172.5	0	0	0	0	111.5	I19 V20 F25 Q26 L27	I19-V23 WeakPolarHBondContact O-CG2 3Å; I19-V23 PolarHBondContact O-N 2.78Å; V20-V23 PolarHBondContact O-N 2.9Å; V23-F25 PolarHBondContact O-N 2.84Å; V23-Q26 PolarHBondContact O-N 3.04Å; V23-L27 HydrophobicContact CG1-CD1 3.85Å; V23-L27 HydrophobicContact CG1-CG 4.42Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 3.45Å
24	D	44.9	Very low	45.4	Very low	84 Å²	84	114.9 Å²	114.9	45%	0.449	58%	0.579	S	S	.	*	H	α-helix	trans	-62.6	-39.2	178.1	-176.2	63.2	0	0	0	112.4	V20 Q26 L27 R28	V20-D24 WeakPolarHBondContact O-CB 3.29Å; V20-D24 PolarHBondContact O-N 3.25Å; D24-Q26 PolarHBondContact O-N 3.22Å; D24-L27 PolarHBondContact O-N 3.09Å; D24-R28 WeakPolarHBondContact O-CB 3.34Å; D24-R28 PolarHBondContact O-N 2.98Å; D24-R28 IonicContact OD2-NE 3.92Å
25	F	41.7	Very low	44.4	Very low	142 Å²	142	116.6 Å²	116.6	62%	0.623	60%	0.599	S	S	*	*	H	α-helix	trans	-62.9	-41.5	175.6	-175.9	-98.4	0	0	0	112.1	V21 V23 S29	V21-F25 WeakPolarHBondContact O-CB 3.44Å; V21-F25 PolarHBondContact O-N 3.07Å; V23-F25 PolarHBondContact O-N 2.84Å; F25-S29 WeakPolarHBondContact O-CB 3.42Å; F25-S29 PolarHBondContact O-N 3.07Å
26	Q	53.8	Low	43.4	Very low	79 Å²	79	117.5 Å²	117.5	37%	0.369	61%	0.61	S	S	.	*	H	α-helix	trans	-65.5	-41.8	174.7	-68.5	-72.6	-10.9	0	0	111.7	F22 V23 D24 S29 S30	F22-Q26 HydrophobicContact CE1-CG 4.33Å; F22-Q26 WeakPolarHBondContact O-CG 3.07Å; F22-Q26 PolarHBondContact O-N 3.27Å; F22-Q26 VanDerWaalsContact O-N 3.14Å; V23-Q26 PolarHBondContact O-N 3.04Å; D24-Q26 PolarHBondContact O-N 3.22Å; Q26-S29 PolarHBondContact O-N 3Å; Q26-S30 PolarHBondContact O-N 3.07Å; Q26-S30 PolarHBondContact O-OG 3.36Å
27	L	44.3	Very low	42.3	Very low	106 Å²	106	120 Å²	120	56%	0.555	63%	0.625	S	S	*	*	H	α-helix	trans	-65.5	-43.8	178.3	-71.4	169.8	0	0	0	112.3	V23 D24 S29 S30 S31	V23-L27 HydrophobicContact CG1-CD1 3.85Å; V23-L27 HydrophobicContact CG1-CG 4.42Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 3.45Å; D24-L27 PolarHBondContact O-N 3.09Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 2.99Å; L27-S30 WeakPolarHBondContact CA-OG 3.5Å; L27-S30 PolarHBondContact O-N 2.62Å; L27-S30 PolarHBondContact O-OG 3.35Å; L27-S31 PolarHBondContact O-N 3.47Å
28	R	42	Very low	41.3	Very low	191 Å²	191	118 Å²	118	72%	0.721	63%	0.633	S	S	*	*	H	α-helix	trans	-62.4	-38.4	173.8	-83.6	-177.6	165.6	-138.4	-4.4	112.3	D24 S30 S31	D24-R28 WeakPolarHBondContact O-CB 3.34Å; D24-R28 PolarHBondContact O-N 2.98Å; D24-R28 IonicContact OD2-NE 3.92Å; R28-S30 VanDerWaalsContact C-N 3.27Å; R28-S30 PolarHBondContact O-N 3.31Å; R28-S31 PolarHBondContact O-N 3.14Å
29	S	40.6	Very low	40.2	Very low	97 Å²	97	119.8 Å²	119.8	68%	0.678	64%	0.643	S	S	*	*	H	α-helix	trans	-69.8	-19.7	177.6	-169.4	0	0	0	0	114.1	F25 Q26 L27	F25-S29 WeakPolarHBondContact O-CB 3.42Å; F25-S29 PolarHBondContact O-N 3.07Å; Q26-S29 PolarHBondContact O-N 3Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 2.99Å
30	S	41.4	Very low	38.9	Very low	59 Å²	59	124 Å²	124	41%	0.413	66%	0.66	S	S	.	*	H	α-helix	trans	-86.8	-11.5	174.1	39.5	0	0	0	0	114.5	Q26 L27 R28 F32	Q26-S30 PolarHBondContact O-N 3.07Å; Q26-S30 PolarHBondContact O-OG 3.36Å; L27-S30 WeakPolarHBondContact CA-OG 3.5Å; L27-S30 PolarHBondContact O-N 2.62Å; L27-S30 PolarHBondContact O-OG 3.35Å; R28-S30 VanDerWaalsContact C-N 3.27Å; R28-S30 PolarHBondContact O-N 3.31Å; S30-F32 VanDerWaalsContact C-N 3.29Å; S30-F32 PolarHBondContact O-N 3.32Å
31	S	34.7	Very low	37.7	Very low	84 Å²	84	125 Å²	125	59%	0.587	67%	0.669	S	S	*	*			trans	-80.5	61.2	-175.7	177.4	0	0	0	0	113.3	L27 R28	L27-S31 PolarHBondContact O-N 3.47Å; R28-S31 PolarHBondContact O-N 3.14Å
32	F	35.5	Very low	36.4	Very low	200 Å²	200	128.4 Å²	128.4	88%	0.877	70%	0.695	S	S	*	*			trans	-167.5	81.6	153.6	-102.1	-64.7	0	0	0	112.8	S30	S30-F32 VanDerWaalsContact C-N 3.29Å; S30-F32 PolarHBondContact O-N 3.32Å
33	T	27.8	Very low	35.1	Very low	143 Å²	143	126.8 Å²	126.8	88%	0.877	71%	0.706	S	S	*	*			trans	-163.6	109.6	146.3	1.2	0	0	0	0	110.4
34	K	30.9	Very low	34	Very low	211 Å²	211	127.2 Å²	127.2	92%	0.917	73%	0.725	S	S	*	*			trans	-72.5	133.1	166.3	-84.1	178.1	171.1	177.1	0	108.6
35	S	25.9	Very low	33.2	Very low	117 Å²	117	128 Å²	128	82%	0.818	74%	0.743	S	S	*	*			trans	-130	139.2	163.2	-168	0	0	0	0	109.9
36	N	26.4	Very low	32.5	Very low	155 Å²	155	133 Å²	133	83%	0.829	76%	0.758	S	S	*	*			trans	-80.4	140.9	-172.5	-69.6	-38.9	0	0	0	111.5	A38	N36-A38 PolarHBondContact O-N 3.49Å
37	V	27.3	Very low	31.4	Very low	126 Å²	126	138.9 Å²	138.9	76%	0.764	79%	0.785	S	S	*	*			trans	-76.8	115.7	172.5	177.8	0	0	0	0	109.3
38	A	27	Very low	30.5	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	80%	0.797	S	S	*	*			trans	-103.2	119.7	166	0	0	0	0	0	109.3	N36	N36-A38 PolarHBondContact O-N 3.49Å
39	H	28.4	Very low	29.7	Very low	172 Å²	172	134 Å²	134	80%	0.796	80%	0.801	S	S	*	*			trans	-78.5	133.5	174.6	-78.1	-82.4	0	0	0	111.2
40	H	26.9	Very low	29.1	Very low	183 Å²	183	137.7 Å²	137.7	85%	0.847	81%	0.812	S	S	*	*			trans	-132.1	133.6	155.2	-92.9	-67.7	0	0	0	109.9
41	P	31.3	Very low	28.4	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	83%	0.829	S	S	*	*			trans	-88.2	147.1	-177.7	33.9	-33.7	0	0	0	112.7
42	S	28	Very low	28	Very low	131 Å²	131	143.6 Å²	143.6	92%	0.916	84%	0.844	S	S	*	*			trans	-72.3	139.1	168.5	-65.7	0	0	0	0	111.8
43	A	28.8	Very low	27.6	Very low	100 Å²	100	140.1 Å²	140.1	83%	0.826	84%	0.839	S	S	*	*			trans	-108.7	139.2	169.2	0	0	0	0	0	110.9
44	G	25.9	Very low	27.8	Very low	81 Å²	81	139.4 Å²	139.4	84%	0.835	84%	0.836	S	S	*	*			trans	-83.2	171	-175.2	0	0	0	0	0	115.4
45	A	29.6	Very low	27.6	Very low	100 Å²	100	134.3 Å²	134.3	83%	0.826	83%	0.827	S	S	*	*			trans	-70.1	153.7	-172.3	0	0	0	0	0	115.6
46	R	25.8	Very low	27.7	Very low	247 Å²	247	133.3 Å²	133.3	93%	0.932	83%	0.826	S	S	*	*			trans	-146.6	146.1	150.2	-73.2	-159.9	174.5	-168.7	-1.9	112.5
47	H	31	Very low	27.8	Very low	203 Å²	203	134.2 Å²	134.2	94%	0.94	83%	0.825	S	S	*	*			trans	-71.3	155	163.2	-81.4	-18.5	0	0	0	111.8
48	G	25.1	Very low	27.8	Very low	79 Å²	79	138.5 Å²	138.5	81%	0.814	83%	0.827	S	S	*	*			trans	-174.8	133.6	167.1	0	0	0	0	0	110.9
49	S	26.2	Very low	27.9	Very low	115 Å²	115	138.5 Å²	138.5	80%	0.804	82%	0.822	S	S	*	*			trans	-106.9	155.2	-171.7	-72.2	0	0	0	0	113.8
50	I	28.2	Very low	27.8	Very low	175 Å²	175	135.2 Å²	135.2	90%	0.897	81%	0.813	S	S	*	*			trans	67.4	126.2	155.4	-64.6	156.6	0	0	0	117.9
51	G	25.7	Very low	27.8	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	81%	0.813	S	S	*	*			trans	-172.6	119.6	163.4	0	0	0	0	0	110.5
52	Q	26.1	Very low	27.8	Very low	193 Å²	193	137.6 Å²	137.6	90%	0.902	81%	0.811	S	S	*	*			trans	-81.8	163.1	-177.7	-82.9	174.4	-44.1	0	0	113.6
53	V	27.5	Very low	27.9	Very low	127 Å²	127	136.4 Å²	136.4	77%	0.77	80%	0.803	S	S	*	*			trans	-58.2	162	175	-142.8	0	0	0	0	112.3
54	P	32.3	Very low	28	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	80%	0.804	S	S	*	*				-135.1	156.5	99.6	26.9	-10.2	0	0	0	115.3
55	S	27	Very low	28.2	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	80%	0.798	S	S	*	*			trans	-86.6	152.6	-175.4	177	0	0	0	0	112.8
56	A	27.6	Very low	28.2	Very low	95 Å²	95	139.4 Å²	139.4	79%	0.785	80%	0.799	S	S	*	*			trans	-140.4	115.4	157	0	0	0	0	0	111.9
57	H	28.1	Very low	28.4	Very low	175 Å²	175	132 Å²	132	81%	0.81	79%	0.786	S	S	*	*			trans	-20.1	157.6	152.8	-73.4	-91.2	0	0	0	117.1
58	R	27.7	Very low	28.6	Very low	215 Å²	215	129.4 Å²	129.4	81%	0.811	78%	0.777	S	S	*	*			cis	-169.9	145.2	37.1	-147.9	-176.4	-178.7	158.8	-1.7	113.3
59	S	28.3	Very low	29	Very low	92 Å²	92	134.8 Å²	134.8	64%	0.643	78%	0.778	S	S	*	*			trans	57.8	155.2	137.2	57.2	0	0	0	0	122.9
60	V	27.8	Very low	29	Very low	103 Å²	103	133.1 Å²	133.1	62%	0.624	78%	0.779	S	S	*	*			cis	-167.2	146.7	-14.2	135.1	0	0	0	0	106.8
61	Y	27	Very low	29	Very low	214 Å²	214	128.7 Å²	128.7	84%	0.839	78%	0.776	S	S	*	*			trans	170.7	106.1	135.5	-99.6	-73.9	0	0	0	106
62	N	29.5	Very low	29.1	Very low	137 Å²	137	129 Å²	129	73%	0.733	78%	0.78	S	S	*	*				44.2	131.8	80.3	-77.5	-0.3	0	0	0	113
63	S	30.5	Very low	29.3	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	78%	0.783	S	S	*	*			cis	-163.9	165.7	-3.2	53.8	0	0	0	0	106.5
64	S	30.3	Very low	29.5	Very low	121 Å²	121	135 Å²	135	85%	0.846	79%	0.789	S	S	*	*				-176	166.5	64.3	48.9	0	0	0	0	112.4
65	S	30.4	Very low	29.4	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	79%	0.79	S	S	*	*			trans	-114.5	151.8	-161.9	52.7	0	0	0	0	114.7
66	S	29.9	Very low	29.6	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	80%	0.795	S	S	*	*			trans	-160	124.9	134	47.1	0	0	0	0	108
67	S	31.2	Very low	29.7	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	80%	0.795	S	S	*	*			cis	91.5	141.6	20.3	-49.1	0	0	0	0	116.1
68	I	34	Very low	29.8	Very low	148 Å²	148	140.8 Å²	140.8	76%	0.759	80%	0.798	S	S	*	*			trans	80.9	131.3	172.5	-61.3	179.5	0	0	0	114.6
69	K	33	Very low	30.1	Very low	191 Å²	191	138.4 Å²	138.4	83%	0.83	80%	0.795	S	S	*	*			cis	-151.4	164.1	-17.5	-106.6	171.8	-159.2	172.7	0	106.1
70	G	26.8	Very low	30.2	Very low	80 Å²	80	140.4 Å²	140.4	83%	0.825	80%	0.799	S	S	*	*				111	146.3	54.6	0	0	0	0	0	108.8
71	G	27.5	Very low	30.5	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	81%	0.811	S	S	*	*			cis	-157.3	174.8	-0.1	0	0	0	0	0	110.9
72	G	27.8	Very low	30.7	Very low	83 Å²	83	136.8 Å²	136.8	86%	0.856	81%	0.809	S	S	*	*			trans	-99.9	-176	-170.6	0	0	0	0	0	115.7
73	R	31	Very low	30.9	Very low	253 Å²	253	134 Å²	134	96%	0.955	81%	0.813	S	S	*	*			trans	-155.6	136.8	159.1	-139.9	171.6	-173.5	162	1	110.7
74	E	32.2	Very low	31.1	Very low	192 Å²	192	138 Å²	138	90%	0.897	82%	0.82	S	S	*	*			trans	-80.4	150.4	173.5	-62.6	171.7	105.5	0	0	111.8
75	S	30	Very low	31.4	Very low	123 Å²	123	137.7 Å²	137.7	86%	0.86	82%	0.817	S	S	*	*			trans	-159.7	149.6	142.3	51.1	0	0	0	0	110.6
76	K	31.5	Very low	32	Very low	189 Å²	189	139.2 Å²	139.2	82%	0.822	82%	0.822	S	S	*	*			trans	-94.4	158.1	-172	-76.4	178.3	174	175.8	0	113.5
77	L	30.1	Very low	32.5	Very low	150 Å²	150	139.4 Å²	139.4	79%	0.785	81%	0.814	S	S	*	*			trans	64.2	117.5	151.2	-71.1	156.6	0	0	0	118.7
78	N	28.9	Very low	32.8	Very low	162 Å²	162	144 Å²	144	87%	0.866	82%	0.822	S	S	*	*				-163.5	158.6	111.3	-100	-13.5	0	0	0	112.2
79	E	33.7	Very low	33.3	Very low	164 Å²	164	147 Å²	147	77%	0.766	82%	0.824	S	S	*	*			trans	-83.8	171.1	-177	-64.7	172.3	114.3	0	0	113.9
80	N	31.5	Very low	33.8	Very low	134 Å²	134	143.9 Å²	143.9	72%	0.717	82%	0.821	S	S	*	*			trans	96.7	124.4	154.8	-64.9	-39.9	0	0	0	120.8
81	N	34.1	Very low	34.7	Very low	164 Å²	164	148.7 Å²	148.7	88%	0.877	82%	0.821	S	S	*	*			trans	62.5	125.1	148.1	-70.9	-13.8	0	0	0	120.6
82	G	30.7	Very low	36.1	Very low	77 Å²	77	148.6 Å²	148.6	79%	0.794	81%	0.813	S	S	*	*			trans	152.4	92.2	150.9	0	0	0	0	0	113.7
83	G	35	Very low	37.9	Very low	80 Å²	80	151.3 Å²	151.3	83%	0.825	81%	0.813	S	S	*	*			trans	-21.9	133.3	176.5	0	0	0	0	0	119.5
84	E	34.7	Very low	39.7	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	79%	0.792	S	S	*	*			trans	-137.7	99	136.1	-130.2	175	-177.4	0	0	109	V86	E84-V86 PolarHBondContact O-N 3.19Å
85	S	36.4	Very low	42.1	Very low	114 Å²	114	139.7 Å²	139.7	80%	0.797	78%	0.777	S	S	*	*			trans	-66.6	100.4	168.2	49.6	0	0	0	0	107.8	D87	S85-D87 PolarHBondContact O-N 2.91Å
86	V	41.4	Very low	45.1	Very low	133 Å²	133	142.4 Å²	142.4	81%	0.806	77%	0.773	S	S	*	*			trans	-48.3	114	174.1	174.9	0	0	0	0	108.2	E84 K88	E84-V86 PolarHBondContact O-N 3.19Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 2.84Å
87	D	40.3	Very low	48.1	Very low	126 Å²	126	133.8 Å²	133.8	67%	0.674	74%	0.736	S	S	*	*			trans	-63.6	93.2	-170.8	-172	19.1	0	0	0	109.2	S85 R89	S85-D87 PolarHBondContact O-N 2.91Å; D87-R89 PolarHBondContact O-N 3.24Å
88	K	39.1	Very low	51.3	Low	188 Å²	188	133.9 Å²	133.9	82%	0.817	73%	0.726	S	S	*	*			trans	-67	79.5	167.1	-79.1	-175.9	177.6	176.7	0	106.7	V86 V90	V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 2.84Å; K88-V90 PolarHBondContact O-N 2.91Å
89	R	44	Very low	54.5	Low	212 Å²	212	127.8 Å²	127.8	80%	0.8	69%	0.694	S	S	*	*			trans	-53.4	98	156.7	-81	-170.5	179.4	-169.8	-0.2	106.7	D87 H91	D87-R89 PolarHBondContact O-N 3.24Å; R89-H91 PolarHBondContact O-N 3.43Å
90	V	42.5	Very low	57.4	Low	126 Å²	126	123 Å²	123	76%	0.764	67%	0.673	S	S	*	*			trans	-50.4	113	166.3	177.3	0	0	0	0	104.8	K88 A92	K88-V90 PolarHBondContact O-N 2.91Å; V90-A92 PolarHBondContact O-N 3.45Å
91	H	47.2	Very low	60.6	Low	180 Å²	180	118.4 Å²	118.4	83%	0.833	65%	0.648	S	S	*	*			trans	-62.5	88.9	160.3	-89	-52.1	0	0	0	105.3	R89 T93	R89-H91 PolarHBondContact O-N 3.43Å; H91-T93 PolarHBondContact O-N 2.93Å
92	A	56.2	Low	63.6	Low	81 Å²	81	110.6 Å²	110.6	67%	0.669	61%	0.607	S	S	*	*			trans	-56.6	107.1	171.6	0	0	0	0	0	105.5	V90 Q94	V90-A92 PolarHBondContact O-N 3.45Å; A92-Q94 PolarHBondContact O-N 3.39Å
93	T	65.4	Low	66.9	Low	139 Å²	139	107.3 Å²	107.3	85%	0.853	57%	0.57	S	S	*	*			trans	-60.1	109.5	-176.2	-42.9	0	0	0	0	106.6	H91	H91-T93 PolarHBondContact O-N 2.93Å
94	Q	67.7	Low	69.9	Low	112 Å²	112	103.6 Å²	103.6	52%	0.523	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-50.3	133	-176.4	-77.7	-72.1	23.1	0	0	108.8	A92 K96 E207	A92-Q94 PolarHBondContact O-N 3.39Å; Q94-K96 PolarHBondContact O-N 3.31Å; Q94-E207 PolarHBondContact NE2-OE1 2.86Å
95	P	83.1	Confident	73	Confident	90 Å²	90	94.6 Å²	94.6	58%	0.584	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-56.4	135.4	-176.4	21.4	-31.2	0	0	0	109.8	L97 R181	P95-L97 PolarHBondContact O-N 3.37Å; P95-R181 PolarHBondContact O-NH1 3.38Å
96	K	92.4	Very high	76	Confident	179 Å²	179	89.1 Å²	89.1	78%	0.778	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-53.6	133.1	179.4	-176.9	-178	176.2	-175.4	0	109.1	Q94 R98	Q94-K96 PolarHBondContact O-N 3.31Å; K96-R98 PolarHBondContact O-N 3.39Å
97	L	96.5	Very high	78.7	Confident	8 Å²	8	83.3 Å²	83.3	4%	0.042	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-53.6	137.1	178.5	-172.5	69.3	0	0	0	111	P95 D101 R181 L198 L201	P95-L97 PolarHBondContact O-N 3.37Å; L97-D101 WeakPolarHBondContact CA-OD2 3.37Å; L97-D101 HydrophobicContact CD1-CB 3.47Å; L97-D101 VanDerWaalsContact CD1-CB 3.47Å; L97-R181 HydrophobicContact CD1-CB 4.49Å; L97-L198 HydrophobicContact CB-CD1 4.28Å; L97-L198 HydrophobicContact CD2-CD1 3.96Å; L97-L198 HydrophobicContact CG-CD1 3.8Å; L97-L201 HydrophobicContact CD2-CB 3.6Å
98	R	96.4	Very high	81.4	Confident	152 Å²	152	77.5 Å²	77.5	57%	0.574	39%	0.385	S	S	*	.			trans	-120	163.1	175.3	-69.4	170.3	56.9	147.8	-2.1	110.7	K96 D100 D101	K96-R98 PolarHBondContact O-N 3.39Å; R98-D100 IonicContact CZ-OD2 3.34Å; R98-D100 IonicContact NE-OD2 3.59Å; R98-D100 PolarHBondContact NE-OD2 3.44Å; R98-D100 VanDerWaalsContact NE-OD2 3.17Å; R98-D100 IonicContact NH2-OD2 2.7Å; R98-D100 PolarHBondContact NH2-OD2 2.88Å; R98-D100 PolarHBondContact O-N 3.3Å; R98-D101 PolarHBondContact N-OD2 3.23Å; R98-D101 WeakPolarHBondContact O-CB 3.4Å; R98-D101 PolarHBondContact O-N 3.1Å
99	L	95.6	Very high	84.3	Confident	35 Å²	35	68.9 Å²	68.9	18%	0.183	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-54.4	-38.2	167.9	-70	177.2	0	0	0	111.8	D101 I102 P194 L198	L99-D101 PolarHBondContact O-N 2.66Å; L99-D101 VanDerWaalsContact O-N 3.07Å; L99-I102 HydrophobicContact CD2-CD1 4.42Å; L99-I102 PolarHBondContact O-N 2.84Å; L99-P194 HydrophobicContact CD1-CB 4.24Å; L99-P194 HydrophobicContact CD2-CB 3.75Å; L99-P194 WeakPolarHBondContact CD2-O 3.4Å; L99-L198 HydrophobicContact CD2-CB 3.91Å; L99-L198 HydrophobicContact CD2-CD2 4.32Å; L99-L198 HydrophobicContact CG-CD2 4.17Å
100	D	95.6	Very high	86.8	Confident	64 Å²	64	60.4 Å²	60.4	34%	0.342	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-64.5	-10.9	177.9	-51.1	-51.2	0	0	0	114.2	R98 K180	R98-D100 IonicContact CZ-OD2 3.34Å; R98-D100 IonicContact NE-OD2 3.59Å; R98-D100 PolarHBondContact NE-OD2 3.44Å; R98-D100 VanDerWaalsContact NE-OD2 3.17Å; R98-D100 IonicContact NH2-OD2 2.7Å; R98-D100 PolarHBondContact NH2-OD2 2.88Å; R98-D100 PolarHBondContact O-N 3.3Å; D100-K180 WeakPolarHBondContact O-CD 3.27Å; D100-K180 VanDerWaalsContact O-CE 3.29Å; D100-K180 WeakPolarHBondContact O-CE 3.22Å; D100-K180 PolarHBondContact O-NZ 3.17Å
101	D	97.5	Very high	89.4	Confident	36 Å²	36	61.1 Å²	61.1	19%	0.193	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-90.8	-6.1	174.6	-64.9	-39	0	0	0	112.9	L97 R98 L99 K180 R181 W182	L97-D101 WeakPolarHBondContact CA-OD2 3.37Å; L97-D101 HydrophobicContact CD1-CB 3.47Å; L97-D101 VanDerWaalsContact CD1-CB 3.47Å; R98-D101 PolarHBondContact N-OD2 3.23Å; R98-D101 WeakPolarHBondContact O-CB 3.4Å; R98-D101 PolarHBondContact O-N 3.1Å; L99-D101 PolarHBondContact O-N 2.66Å; L99-D101 VanDerWaalsContact O-N 3.07Å; D101-K180 CarbonylContact O-C 3.58Å; D101-K180 WeakPolarHBondContact O-CB 3.25Å; D101-R181 HydrophobicContact CB-CB 4.21Å; D101-R181 HydrophobicContact CB-CG 4.15Å; D101-R181 PolarHBondContact O-N 2.97Å; D101-R181 IonicContact OD2-NH1 2.72Å; D101-W182 PolarHBondContact O-N 2.98Å
102	I	98.5	Very high	91.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.6	-174.1	-53.3	168.3	0	0	0	109.2	L99 V104 H131 W182 C184 L197 L198 L201	L99-I102 HydrophobicContact CD2-CD1 4.42Å; L99-I102 PolarHBondContact O-N 2.84Å; I102-V104 HydrophobicContact CG2-CG2 4.1Å; I102-H131 WeakPolarHBondContact O-CB 3.49Å; I102-W182 HydrophobicContact CG1-CB 4.41Å; I102-W182 HydrophobicContact CG2-CB 4.37Å; I102-C184 HydrophobicContact CG2-CB 4.49Å; I102-L197 HydrophobicContact CD1-CG 4.36Å; I102-L197 HydrophobicContact CG2-CD2 4.07Å; I102-L198 HydrophobicContact CD1-CB 4.48Å; I102-L198 HydrophobicContact CD1-CD1 4.08Å; I102-L201 HydrophobicContact CD1-CD1 3.95Å; I102-L201 HydrophobicContact CG1-CD1 4.11Å; I102-L201 HydrophobicContact CG2-CD1 4.26Å
103	Y	98.8	Very high	93.9	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.8	173.2	-165.9	-80.6	0	0	0	109	A105 F133 F135 G174 F175 K180 W182 F183 C184	Y103-A105 HydrophobicContact CD1-CB 4.36Å; Y103-A105 HydrophobicContact CE1-CB 4.18Å; Y103-F133 HydrophobicContact CD1-CD2 4.06Å; Y103-F133 AromaticContact CD2-CD2 3.75Å; Y103-F133 HydrophobicContact CD2-CD2 3.75Å; Y103-F133 AromaticContact CD2-CE2 3.53Å; Y103-F133 HydrophobicContact CD2-CE2 3.53Å; Y103-F133 HydrophobicContact CD2-CZ 4.2Å; Y103-F133 HydrophobicContact CE1-CB 3.97Å; Y103-F133 AromaticContact CE1-CD2 3.77Å; Y103-F133 HydrophobicContact CE1-CD2 3.77Å; Y103-F133 AromaticContact CE1-CG 3.96Å; Y103-F133 HydrophobicContact CE1-CG 3.96Å; Y103-F133 HydrophobicContact CE2-CD1 4.11Å; Y103-F133 AromaticContact CE2-CD2 3.42Å; Y103-F133 HydrophobicContact CE2-CD2 3.42Å; Y103-F133 VanDerWaalsContact CE2-CD2 3.42Å; Y103-F133 HydrophobicContact CE2-CE1 4.08Å; Y103-F133 AromaticContact CE2-CE2 3.37Å; Y103-F133 HydrophobicContact CE2-CE2 3.37Å; Y103-F133 AromaticContact CE2-CG 3.82Å; Y103-F133 HydrophobicContact CE2-CG 3.82Å; Y103-F133 AromaticContact CE2-CZ 3.73Å; Y103-F133 HydrophobicContact CE2-CZ 3.73Å; Y103-F133 HydrophobicContact CG-CD2 4.05Å; Y103-F133 HydrophobicContact CG-CE2 4.17Å; Y103-F133 AromaticContact CZ-CD1 3.95Å; Y103-F133 AromaticContact CZ-CD2 3.41Å; Y103-F133 VanDerWaalsContact CZ-CD2 3.41Å; Y103-F133 AromaticContact CZ-CE2 3.9Å; Y103-F133 AromaticContact CZ-CG 3.45Å; Y103-F133 VanDerWaalsContact CZ-CG 3.45Å; Y103-F133 WeakPolarHBondContact OH-CG 3.38Å; Y103-F135 HydrophobicContact CE1-CE2 4.04Å; Y103-F135 HydrophobicContact CE1-CZ 4.11Å; Y103-F135 VanDerWaalsContact OH-CZ 3.32Å; Y103-F135 WeakPolarHBondContact OH-CZ 3.49Å; Y103-G174 WeakPolarHBondContact CE2-O 3.44Å; Y103-F175 VanDerWaalsContact CB-CD2 3.5Å; Y103-F175 HydrophobicContact CD1-CB 4.02Å; Y103-F175 HydrophobicContact CD1-CD2 4.43Å; Y103-F175 HydrophobicContact CD2-CB 4.41Å; Y103-F175 HydrophobicContact CD2-CD2 4.2Å; Y103-F175 HydrophobicContact CE1-CB 4.25Å; Y103-F175 HydrophobicContact CG-CB 4.12Å; Y103-F175 AromaticContact CG-CD2 3.83Å; Y103-F175 HydrophobicContact CG-CD2 3.83Å; Y103-F175 HydrophobicContact CG-CG 4.47Å; Y103-K180 HydrophobicContact CD2-CB 4.49Å; Y103-K180 HydrophobicContact CD2-CG 3.86Å; Y103-K180 HydrophobicContact CG-CG 4.36Å; Y103-W182 WeakPolarHBondContact CB-O 3.35Å; Y103-W182 PolarHBondContact N-O 3Å; Y103-F183 AromaticContact CD1-CD2 3.97Å; Y103-F183 HydrophobicContact CD1-CD2 3.97Å; Y103-F183 HydrophobicContact CD1-CE2 4.32Å; Y103-C184 PolarHBondContact O-N 3.45Å
104	V	98.9	Very high	95.4	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.4	176.1	-175.2	0	0	0	0	109.2	I102 W124 H131 T132 F133 C184 V186 L197	I102-V104 HydrophobicContact CG2-CG2 4.1Å; V104-W124 HydrophobicContact CG1-CH2 3.73Å; V104-W124 HydrophobicContact CG1-CZ3 3.95Å; V104-H131 PolarHBondContact N-O 2.05Å; V104-T132 HydrophobicContact CB-CG2 4.42Å; V104-T132 HydrophobicContact CG1-CG2 4.38Å; V104-T132 CarbonylContact O-C 3.42Å; V104-T132 WeakPolarHBondContact O-CA 3.35Å; V104-F133 PolarHBondContact O-N 3.36Å; V104-C184 CarbonylContact C-O 3.47Å; V104-C184 WeakPolarHBondContact CA-O 3.37Å; V104-V186 HydrophobicContact CG1-CG2 4.17Å; V104-L197 HydrophobicContact CG2-CD2 4.36Å
105	A	98.9	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.7	174.3	0	0	0	0	0	110.1	Y103 F133 F135 E171 F183 C184 V186	Y103-A105 HydrophobicContact CD1-CB 4.36Å; Y103-A105 HydrophobicContact CE1-CB 4.18Å; A105-F133 WeakPolarHBondContact CA-O 3.4Å; A105-F135 HydrophobicContact CB-CD2 4.06Å; A105-F135 HydrophobicContact CB-CE2 3.77Å; A105-E171 HydrophobicContact CB-CB 4.16Å; A105-E171 HydrophobicContact CB-CG 4.02Å; A105-E171 WeakPolarHBondContact CB-OE2 3.37Å; A105-F183 HydrophobicContact CB-CE2 3.66Å; A105-F183 HydrophobicContact CB-CZ 4.18Å; A105-C184 PolarHBondContact N-O 3.01Å; A105-V186 PolarHBondContact O-N 2.97Å
106	V	98.9	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114	175.4	-177.2	0	0	0	0	108.8	L120 W124 I125 T132 F133 I134 F135 V186 D188	V106-L120 HydrophobicContact CG1-CD1 4.19Å; V106-W124 HydrophobicContact CG2-CH2 3.53Å; V106-W124 HydrophobicContact CG2-CZ2 3.85Å; V106-I125 HydrophobicContact CG2-CD1 4.3Å; V106-T132 HydrophobicContact CG2-CG2 3.61Å; V106-F133 PolarHBondContact N-O 2.95Å; V106-I134 HydrophobicContact CB-CG1 4.5Å; V106-F135 PolarHBondContact O-N 2.69Å; V106-V186 WeakPolarHBondContact CA-O 3.36Å; V106-V186 HydrophobicContact CB-CG2 4.5Å; V106-V186 HydrophobicContact CG2-CG2 3.88Å; V106-D188 HydrophobicContact CG1-CB 4.45Å
107	K	98.8	Very high	97.9	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.3	175.9	-166.7	-169.4	-55	131	0	110.3	L164 K167 E171 H185 V186 D187 D188 D276	K107-L164 HydrophobicContact CD-CD2 3.96Å; K107-K167 HydrophobicContact CD-CB 4.3Å; K107-K167 HydrophobicContact CD-CD 4.43Å; K107-K167 HydrophobicContact CG-CB 4.18Å; K107-K167 HydrophobicContact CG-CD 3.91Å; K107-E171 WeakPolarHBondContact CB-OE1 3.34Å; K107-E171 WeakPolarHBondContact CE-OE1 3.48Å; K107-E171 WeakPolarHBondContact CG-OE1 3.37Å; K107-H185 WeakPolarHBondContact CE-CE1 3.5Å; K107-H185 PolarHBondContact NZ-CE1 2.57Å; K107-H185 PolarHBondContact NZ-NE2 3.31Å; K107-V186 PolarHBondContact N-O 3.14Å; K107-D187 IonicContact NZ-OD1 2.67Å; K107-D187 PolarHBondContact NZ-OD1 2.86Å; K107-D187 VanDerWaalsContact NZ-OD1 3.09Å; K107-D188 WeakPolarHBondContact O-CB 3.39Å; K107-D188 PolarHBondContact O-N 3.47Å; K107-D188 VanDerWaalsContact O-N 3.09Å; K107-D276 WeakPolarHBondContact CE-OD2 3.24Å; K107-D276 IonicContact NZ-OD2 3.73Å; K107-D276 PolarHBondContact NZ-OD2 2.86Å
108	T	98.4	Very high	98	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.031	19%	0.19	C	C	.	.			trans	-144.9	-177.6	178.8	-167.2	0	0	0	0	111.9	L117 I134 F135 K167 D188	T108-L117 HydrophobicContact CG2-CD2 4.36Å; T108-I134 HydrophobicContact CG2-CG2 3.66Å; T108-F135 PolarHBondContact N-O 3.22Å; T108-K167 VanDerWaalsContact O-CE 3.28Å; T108-K167 WeakPolarHBondContact O-CE 3.44Å; T108-D188 WeakPolarHBondContact CA-OD2 3.48Å; T108-D188 VanDerWaalsContact CB-OD2 3.3Å; T108-D188 WeakPolarHBondContact CB-OD2 3.29Å; T108-D188 PolarHBondContact OG1-OD2 2.93Å
109	T	98	Very high	98.1	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.037	17%	0.169	C	C	.	.			trans	-143.8	154.1	177	172.5	0	0	0	0	110.2	R111 F112 H113 D137	T109-R111 HydrophobicContact CG2-CG 3.56Å; T109-R111 PolarHBondContact O-N 2.78Å; T109-F112 HydrophobicContact CG2-CD2 3.39Å; T109-F112 HydrophobicContact CG2-CE2 3.84Å; T109-F112 HydrophobicContact CG2-CG 4.16Å; T109-F112 PolarHBondContact O-N 3.31Å; T109-H113 PolarHBondContact O-CD2 2.92Å; T109-D137 VanDerWaalsContact CA-OD2 3.24Å; T109-D137 WeakPolarHBondContact CA-OD2 3.49Å; T109-D137 WeakPolarHBondContact CB-OD2 3.41Å; T109-D137 VanDerWaalsContact OG1-CG 3.31Å; T109-D137 PolarHBondContact OG1-OD1 2.84Å; T109-D137 VanDerWaalsContact OG1-OD1 3.11Å; T109-D137 PolarHBondContact OG1-OD2 3.12Å
110	A	97.6	Very high	98.2	Very high	34 Å²	34	31.9 Å²	31.9	28%	0.281	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-50.3	-35	-173.9	0	0	0	0	0	114.5	F112 H113 D137 K138	A110-F112 PolarHBondContact O-N 2.84Å; A110-H113 PolarHBondContact O-N 3.34Å; A110-D137 WeakPolarHBondContact CB-OD1 3.25Å; A110-D137 PolarHBondContact N-OD1 2.89Å; A110-K138 HydrophobicContact CB-CB 3.7Å; A110-K138 HydrophobicContact CB-CD 4.32Å
111	R	97.5	Very high	98.4	Very high	142 Å²	142	29.3 Å²	29.3	54%	0.536	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-65.4	-18	178.4	62	169.5	-177.9	-164	-5.2	114.5	T109 H159	T109-R111 HydrophobicContact CG2-CG 3.56Å; T109-R111 PolarHBondContact O-N 2.78Å; R111-H159 PolarHBondContact NH2-CD2 3.14Å; R111-H159 PolarHBondContact NH2-CE1 3.29Å; R111-H159 PolarHBondContact NH2-NE2 3.1Å
112	F	98.1	Very high	98.4	Very high	39 Å²	39	32 Å²	32	17%	0.171	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-107.5	-3.6	-176.4	-64.9	-37.8	0	0	0	113.8	T109 A110 K114 T115 R116 L117 D188	T109-F112 HydrophobicContact CG2-CD2 3.39Å; T109-F112 HydrophobicContact CG2-CE2 3.84Å; T109-F112 HydrophobicContact CG2-CG 4.16Å; T109-F112 PolarHBondContact O-N 3.31Å; A110-F112 PolarHBondContact O-N 2.84Å; F112-K114 PolarHBondContact O-N 3.08Å; F112-T115 WeakPolarHBondContact CA-OG1 3.43Å; F112-T115 PolarHBondContact O-N 3.13Å; F112-T115 VanDerWaalsContact O-N 3.12Å; F112-T115 PolarHBondContact O-OG1 3.46Å; F112-R116 HydrophobicContact CB-CB 4.12Å; F112-R116 HydrophobicContact CB-CG 4.09Å; F112-R116 HydrophobicContact CD1-CG 4.08Å; F112-R116 HydrophobicContact CG-CG 4.07Å; F112-R116 PolarHBondContact O-N 3.34Å; F112-L117 PolarHBondContact O-N 3.4Å; F112-D188 WeakPolarHBondContact CB-OD2 3.37Å; F112-D188 VanDerWaalsContact CD2-OD2 3.27Å; F112-D188 WeakPolarHBondContact CD2-OD2 3.28Å
113	H	98.5	Very high	98.4	Very high	11 Å²	11	32 Å²	32	5%	0.051	16%	0.16	C	C	.	.	I	π-helix	trans	-51.7	-52.9	178	-69.6	176.4	0	0	0	113.2	T109 A110 T115 A118 T136 K138 D140	T109-H113 PolarHBondContact O-CD2 2.92Å; A110-H113 PolarHBondContact O-N 3.34Å; H113-T115 VanDerWaalsContact C-N 3.3Å; H113-T115 PolarHBondContact O-N 3.5Å; H113-A118 PolarHBondContact O-N 3.22Å; H113-T136 PolarHBondContact CE1-OG1 3.46Å; H113-T136 PolarHBondContact NE2-OG1 2.92Å; H113-K138 PolarHBondContact CE1-O 2.97Å; H113-D140 IonicContact ND1-OD2 2.76Å
114	K	98.1	Very high	98.4	Very high	121 Å²	121	31.6 Å²	31.6	53%	0.526	16%	0.159	S	C	.	.	I	π-helix	trans	-87.2	9.4	-177.9	-49.1	-55.3	-173.3	-165.8	0	114.1	F112 D140 E142	F112-K114 PolarHBondContact O-N 3.08Å; K114-D140 WeakPolarHBondContact CE-OD2 3.5Å; K114-D140 VanDerWaalsContact NZ-CG 3.28Å; K114-D140 IonicContact NZ-OD1 3.13Å; K114-D140 PolarHBondContact NZ-OD1 3.46Å; K114-D140 VanDerWaalsContact NZ-OD1 3.07Å; K114-D140 IonicContact NZ-OD2 3.09Å; K114-D140 PolarHBondContact NZ-OD2 3.12Å; K114-E142 IonicContact NZ-OE2 3.95Å; K114-E142 PolarHBondContact NZ-OE2 2.76Å
115	T	97.5	Very high	98.4	Very high	87 Å²	87	31.5 Å²	31.5	53%	0.534	16%	0.158	S	C	.	.	I	π-helix	trans	-126.9	-80.4	178.8	51.3	0	0	0	0	111.6	F112 H113 L119	F112-T115 WeakPolarHBondContact CA-OG1 3.43Å; F112-T115 PolarHBondContact O-N 3.13Å; F112-T115 VanDerWaalsContact O-N 3.12Å; F112-T115 PolarHBondContact O-OG1 3.46Å; H113-T115 VanDerWaalsContact C-N 3.3Å; H113-T115 PolarHBondContact O-N 3.5Å; T115-L119 PolarHBondContact O-N 3.35Å
116	R	98.4	Very high	98.3	Very high	51 Å²	51	34.3 Å²	34.3	19%	0.192	18%	0.177	C	C	.	.	I	π-helix	trans	-68.7	-52.8	-177.8	-55.4	-175.7	161.9	-154.7	-20.3	111.7	F112 A118 L119 L120 D188 D189	F112-R116 HydrophobicContact CB-CB 4.12Å; F112-R116 HydrophobicContact CB-CG 4.09Å; F112-R116 HydrophobicContact CD1-CG 4.08Å; F112-R116 HydrophobicContact CG-CG 4.07Å; F112-R116 PolarHBondContact O-N 3.34Å; R116-A118 PolarHBondContact O-N 3.28Å; R116-L119 WeakPolarHBondContact O-CB 3.41Å; R116-L119 PolarHBondContact O-N 3.32Å; R116-L120 WeakPolarHBondContact O-CG 3.18Å; R116-L120 PolarHBondContact O-N 3.01Å; R116-D188 HydrophobicContact CB-CB 4.31Å; R116-D188 WeakPolarHBondContact CB-O 3.43Å; R116-D188 WeakPolarHBondContact CD-OD1 3.48Å; R116-D188 IonicContact CZ-OD1 2.72Å; R116-D188 IonicContact NE-OD1 2.88Å; R116-D188 IonicContact NH1-OD1 2.77Å; R116-D188 PolarHBondContact NH1-OD1 2.93Å; R116-D189 IonicContact CZ-OD2 3.07Å; R116-D189 IonicContact NH1-OD2 3.55Å; R116-D189 PolarHBondContact NH1-OD2 2.9Å; R116-D189 IonicContact NH2-OD2 3.51Å; R116-D189 PolarHBondContact NH2-OD2 2.88Å
117	L	98.7	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-62.2	-45	-177.4	-179.7	66.1	0	0	0	111.3	T108 F112 L119 L120 L121 I125 I134 L143	T108-L117 HydrophobicContact CG2-CD2 4.36Å; F112-L117 PolarHBondContact O-N 3.4Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.05Å; L117-L120 WeakPolarHBondContact O-CA 3.47Å; L117-L120 WeakPolarHBondContact O-CB 3.32Å; L117-L120 PolarHBondContact O-N 2.75Å; L117-L121 HydrophobicContact CD1-CD2 4.41Å; L117-L121 HydrophobicContact CD1-CG 4.39Å; L117-L121 HydrophobicContact CG-CD1 4.19Å; L117-L121 HydrophobicContact CG-CG 4.18Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 2.92Å; L117-I125 HydrophobicContact CD1-CD1 4.3Å; L117-I134 HydrophobicContact CD1-CD1 4.07Å; L117-I134 HydrophobicContact CD1-CG1 4.24Å; L117-I134 HydrophobicContact CD1-CG2 3.95Å; L117-I134 HydrophobicContact CD2-CG2 3.91Å; L117-L143 HydrophobicContact CD2-CD1 3.66Å
118	A	98.5	Very high	98.1	Very high	30 Å²	30	40.1 Å²	40.1	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-51	-44.7	176	0	0	0	0	0	112.8	H113 R116 L120 L121 D122	H113-A118 PolarHBondContact O-N 3.22Å; R116-A118 PolarHBondContact O-N 3.28Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-L120 PolarHBondContact O-N 3.42Å; A118-L121 PolarHBondContact O-N 2.96Å; A118-D122 PolarHBondContact O-N 3.21Å
119	L	98.7	Very high	98	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-38.9	174.3	170.5	68.1	0	0	0	112.6	T115 R116 L117 T123 Y321 S344 F346 K347	T115-L119 PolarHBondContact O-N 3.35Å; R116-L119 WeakPolarHBondContact O-CB 3.41Å; R116-L119 PolarHBondContact O-N 3.32Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.05Å; L119-T123 HydrophobicContact CD1-CG2 4.16Å; L119-T123 WeakPolarHBondContact O-CB 3.38Å; L119-T123 WeakPolarHBondContact O-CG2 3.36Å; L119-T123 PolarHBondContact O-N 2.86Å; L119-T123 PolarHBondContact O-OG1 2.76Å; L119-Y321 HydrophobicContact CD2-CE1 4.28Å; L119-S344 VanDerWaalsContact CD2-OG 3.31Å; L119-S344 WeakPolarHBondContact CD2-OG 3.47Å; L119-F346 HydrophobicContact CD1-CB 4.26Å; L119-F346 HydrophobicContact CD2-CB 4.21Å; L119-F346 HydrophobicContact CD2-CD2 3.95Å; L119-F346 HydrophobicContact CD2-CG 4.38Å; L119-F346 HydrophobicContact CG-CB 4.35Å; L119-F346 HydrophobicContact CG-CD2 4.36Å; L119-K347 HydrophobicContact CD1-CG 3.88Å
120	L	98.8	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-39.1	177.3	-51	-162.9	0	0	0	111.5	V106 R116 L117 A118 T123 W124 I125 N190 F346	V106-L120 HydrophobicContact CG1-CD1 4.19Å; R116-L120 WeakPolarHBondContact O-CG 3.18Å; R116-L120 PolarHBondContact O-N 3.01Å; L117-L120 WeakPolarHBondContact O-CA 3.47Å; L117-L120 WeakPolarHBondContact O-CB 3.32Å; L117-L120 PolarHBondContact O-N 2.75Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-L120 PolarHBondContact O-N 3.42Å; L120-T123 CarbonylContact O-C 3.55Å; L120-T123 PolarHBondContact O-N 2.64Å; L120-W124 HydrophobicContact CD1-CZ2 4.04Å; L120-W124 PolarHBondContact O-N 3.14Å; L120-I125 HydrophobicContact CB-CD1 3.54Å; L120-I125 HydrophobicContact CB-CG1 3.97Å; L120-I125 HydrophobicContact CD1-CD1 4.4Å; L120-I125 WeakPolarHBondContact O-CB 3.4Å; L120-I125 WeakPolarHBondContact O-CG1 3.29Å; L120-I125 PolarHBondContact O-N 2.9Å; L120-N190 WeakPolarHBondContact CD2-O 3.18Å; L120-F346 HydrophobicContact CD2-CD2 3.85Å; L120-F346 HydrophobicContact CD2-CE2 3.8Å
121	L	98.6	Very high	97.7	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-46.1	175.7	-62.6	179	0	0	0	112.1	L117 A118 T123 I125 S126 I134 L143 Y148	L117-L121 HydrophobicContact CD1-CD2 4.41Å; L117-L121 HydrophobicContact CD1-CG 4.39Å; L117-L121 HydrophobicContact CG-CD1 4.19Å; L117-L121 HydrophobicContact CG-CG 4.18Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 2.92Å; A118-L121 PolarHBondContact O-N 2.96Å; L121-T123 PolarHBondContact O-N 3.02Å; L121-I125 HydrophobicContact CD2-CB 4.24Å; L121-I125 HydrophobicContact CD2-CD1 4.05Å; L121-I125 HydrophobicContact CD2-CG2 3.89Å; L121-S126 PolarHBondContact O-N 3.06Å; L121-I134 HydrophobicContact CD2-CD1 3.97Å; L121-L143 HydrophobicContact CD1-CD1 4.05Å; L121-L143 HydrophobicContact CD1-CD2 3.42Å; L121-L143 VanDerWaalsContact CD1-CD2 3.42Å; L121-L143 HydrophobicContact CD1-CG 4.36Å; L121-Y148 HydrophobicContact CD1-CD2 4.45Å; L121-Y148 HydrophobicContact CD1-CE2 4.16Å; L121-Y148 HydrophobicContact CD2-CD1 3.77Å; L121-Y148 HydrophobicContact CD2-CD2 4.32Å; L121-Y148 HydrophobicContact CD2-CE1 3.64Å; L121-Y148 HydrophobicContact CD2-CE2 4.17Å; L121-Y148 HydrophobicContact CD2-CG 4.13Å
122	D	98.1	Very high	97.8	Very high	92 Å²	92	39.1 Å²	39.1	49%	0.492	21%	0.206	S	C	.	.	H	α-helix	trans	-67.4	-25.4	177.2	-71.7	-14.6	0	0	0	112.8	A118 W359	A118-D122 PolarHBondContact O-N 3.21Å; D122-W359 WeakPolarHBondContact O-CZ2 3.47Å; D122-W359 PolarHBondContact O-NE1 2.6Å
123	T	98.7	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-106.7	-175.1	62.1	0	0	0	0	112.7	L119 L120 L121 I125 S126 K347 H350 W359	L119-T123 HydrophobicContact CD1-CG2 4.16Å; L119-T123 WeakPolarHBondContact O-CB 3.38Å; L119-T123 WeakPolarHBondContact O-CG2 3.36Å; L119-T123 PolarHBondContact O-N 2.86Å; L119-T123 PolarHBondContact O-OG1 2.76Å; L120-T123 CarbonylContact O-C 3.55Å; L120-T123 PolarHBondContact O-N 2.64Å; L121-T123 PolarHBondContact O-N 3.02Å; T123-I125 PolarHBondContact O-N 2.77Å; T123-S126 WeakPolarHBondContact O-CB 3.22Å; T123-S126 PolarHBondContact O-N 3.4Å; T123-S126 PolarHBondContact O-OG 2.86Å; T123-K347 HydrophobicContact CG2-CG 4.29Å; T123-H350 HydrophobicContact CG2-CB 4.03Å; T123-H350 PolarHBondContact O-CE1 3Å; T123-W359 HydrophobicContact CG2-CH2 4.01Å; T123-W359 HydrophobicContact CG2-CZ2 4.07Å
124	W	98.6	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-31.7	-167.3	69.7	-97.5	0	0	0	113.9	V104 V106 L120 S126 R127 T128 T132 V186 N190 Y191 V192	V104-W124 HydrophobicContact CG1-CH2 3.73Å; V104-W124 HydrophobicContact CG1-CZ3 3.95Å; V106-W124 HydrophobicContact CG2-CH2 3.53Å; V106-W124 HydrophobicContact CG2-CZ2 3.85Å; L120-W124 HydrophobicContact CD1-CZ2 4.04Å; L120-W124 PolarHBondContact O-N 3.14Å; W124-S126 PolarHBondContact O-N 2.85Å; W124-R127 WeakPolarHBondContact O-CB 3.47Å; W124-R127 PolarHBondContact O-N 2.8Å; W124-T128 HydrophobicContact CE3-CG2 4.49Å; W124-T128 WeakPolarHBondContact CZ3-OG1 3.34Å; W124-T128 PolarHBondContact O-N 2.92Å; W124-T128 PolarHBondContact O-OG1 3.27Å; W124-T132 HydrophobicContact CH2-CG2 3.92Å; W124-T132 HydrophobicContact CZ3-CG2 3.99Å; W124-V186 HydrophobicContact CH2-CG2 4.16Å; W124-V186 HydrophobicContact CZ2-CG2 4.14Å; W124-N190 PolarHBondContact NE1-O 3.4Å; W124-Y191 HydrophobicContact CB-CD2 4.27Å; W124-Y191 HydrophobicContact CB-CE1 4.16Å; W124-Y191 HydrophobicContact CB-CE2 3.93Å; W124-Y191 AromaticContact CD1-CD2 3.77Å; W124-Y191 AromaticContact CD1-CG 3.98Å; W124-Y191 HydrophobicContact CG-CD2 4.39Å; W124-V192 VanDerWaalsContact CB-O 3.26Å; W124-V192 WeakPolarHBondContact CB-O 3.17Å; W124-V192 HydrophobicContact CD2-CB 3.83Å; W124-V192 HydrophobicContact CD2-CG2 4.16Å; W124-V192 HydrophobicContact CE3-CB 3.72Å; W124-V192 HydrophobicContact CE3-CG2 4.12Å; W124-V192 HydrophobicContact CG-CB 4.39Å; W124-V192 HydrophobicContact CH2-CB 4.27Å; W124-V192 HydrophobicContact CH2-CG2 3.74Å; W124-V192 HydrophobicContact CZ2-CB 4.37Å; W124-V192 HydrophobicContact CZ2-CG2 3.77Å; W124-V192 HydrophobicContact CZ3-CB 3.94Å; W124-V192 HydrophobicContact CZ3-CG2 3.92Å
125	I	98.6	Very high	97.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-26.3	178.2	-56.7	178.9	0	0	0	110.8	V106 L117 L120 L121 T123 R127 T128 K129 T132 Y148	V106-I125 HydrophobicContact CG2-CD1 4.3Å; L117-I125 HydrophobicContact CD1-CD1 4.3Å; L120-I125 HydrophobicContact CB-CD1 3.54Å; L120-I125 HydrophobicContact CB-CG1 3.97Å; L120-I125 HydrophobicContact CD1-CD1 4.4Å; L120-I125 WeakPolarHBondContact O-CB 3.4Å; L120-I125 WeakPolarHBondContact O-CG1 3.29Å; L120-I125 PolarHBondContact O-N 2.9Å; L121-I125 HydrophobicContact CD2-CB 4.24Å; L121-I125 HydrophobicContact CD2-CD1 4.05Å; L121-I125 HydrophobicContact CD2-CG2 3.89Å; T123-I125 PolarHBondContact O-N 2.77Å; I125-R127 PolarHBondContact O-N 2.8Å; I125-R127 VanDerWaalsContact O-N 3.09Å; I125-T128 WeakPolarHBondContact CA-OG1 3.19Å; I125-T128 PolarHBondContact O-N 3.27Å; I125-K129 WeakPolarHBondContact O-CA 3.46Å; I125-K129 WeakPolarHBondContact O-CB 3.44Å; I125-K129 PolarHBondContact O-N 3.17Å; I125-T132 HydrophobicContact CD1-CG2 4.17Å; I125-T132 HydrophobicContact CG1-CG2 4.15Å; I125-T132 HydrophobicContact CG2-CG2 4.15Å; I125-Y148 HydrophobicContact CG2-CD1 4.43Å; I125-Y148 HydrophobicContact CG2-CE1 4.28Å
126	S	97.4	Very high	97.9	Very high	58 Å²	58	28.8 Å²	28.8	41%	0.406	15%	0.154	S	C	.	.	H	α-helix	trans	-56.5	-25.7	170.8	79.4	0	0	0	0	113.1	L121 T123 W124	L121-S126 PolarHBondContact O-N 3.06Å; T123-S126 WeakPolarHBondContact O-CB 3.22Å; T123-S126 PolarHBondContact O-N 3.4Å; T123-S126 PolarHBondContact O-OG 2.86Å; W124-S126 PolarHBondContact O-N 2.85Å
127	R	97.1	Very high	97.9	Very high	129 Å²	129	27.7 Å²	27.7	49%	0.487	15%	0.152	S	C	.	.	H	α-helix	trans	-92	-21	179.2	-50.4	-55.9	-60.2	-175.5	0.2	113.2	W124 I125 P194 Y354	W124-R127 WeakPolarHBondContact O-CB 3.47Å; W124-R127 PolarHBondContact O-N 2.8Å; I125-R127 PolarHBondContact O-N 2.8Å; I125-R127 VanDerWaalsContact O-N 3.09Å; R127-P194 HydrophobicContact CB-CG 4.39Å; R127-Y354 HydrophobicContact CG-CD2 4.35Å; R127-Y354 HydrophobicContact CG-CE1 4.45Å; R127-Y354 HydrophobicContact CG-CE2 4.04Å
128	T	96.7	Very high	97.8	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-123.9	6.2	-170.6	57.7	0	0	0	0	114.7	W124 I125 A130 H131 T132 P194	W124-T128 HydrophobicContact CE3-CG2 4.49Å; W124-T128 WeakPolarHBondContact CZ3-OG1 3.34Å; W124-T128 PolarHBondContact O-N 2.92Å; W124-T128 PolarHBondContact O-OG1 3.27Å; I125-T128 WeakPolarHBondContact CA-OG1 3.19Å; I125-T128 PolarHBondContact O-N 3.27Å; T128-A130 PolarHBondContact O-N 3.27Å; T128-H131 VanDerWaalsContact CB-NE2 3.27Å; T128-H131 WeakPolarHBondContact CB-NE2 3.34Å; T128-H131 WeakPolarHBondContact CG2-NE2 3.45Å; T128-H131 CarbonylContact O-C 3.59Å; T128-H131 PolarHBondContact O-N 2.91Å; T128-T132 VanDerWaalsContact CB-OG1 3.25Å; T128-T132 WeakPolarHBondContact CB-OG1 3.46Å; T128-T132 PolarHBondContact O-N 3.26Å; T128-T132 VanDerWaalsContact O-N 3.07Å; T128-T132 PolarHBondContact O-OG1 3.39Å; T128-T132 PolarHBondContact OG1-OG1 2.9Å; T128-P194 HydrophobicContact CG2-CB 3.66Å; T128-P194 HydrophobicContact CG2-CG 3.26Å
129	K	96.5	Very high	97.7	Very high	78 Å²	78	38 Å²	38	34%	0.339	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-41.7	-43.3	-173.4	-177.1	178.4	-178.3	-171.9	0	115	I125 H131 K146 G147 Y148 N149	I125-K129 WeakPolarHBondContact O-CA 3.46Å; I125-K129 WeakPolarHBondContact O-CB 3.44Å; I125-K129 PolarHBondContact O-N 3.17Å; K129-H131 PolarHBondContact O-N 3.43Å; K129-K146 PolarHBondContact NZ-O 2.99Å; K129-G147 WeakPolarHBondContact CE-O 3.4Å; K129-Y148 HydrophobicContact CD-CD1 3.96Å; K129-Y148 HydrophobicContact CD-CE1 3.67Å; K129-Y148 HydrophobicContact CG-CD1 3.78Å; K129-Y148 HydrophobicContact CG-CE1 3.8Å; K129-N149 PolarHBondContact O-ND2 3.22Å
130	A	94.2	Very high	97.6	Very high	77 Å²	77	37.8 Å²	37.8	64%	0.636	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-67.5	-17	-176.9	0	0	0	0	0	114.9	T128	T128-A130 PolarHBondContact O-N 3.27Å
131	H	94.9	Very high	97.5	Very high	8 Å²	8	45 Å²	45	4%	0.037	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-133.9	12.5	-176.5	57.5	-97.9	0	0	0	113.2	I102 V104 T128 K129	I102-H131 WeakPolarHBondContact O-CB 3.49Å; V104-H131 PolarHBondContact N-O 2.05Å; T128-H131 VanDerWaalsContact CB-NE2 3.27Å; T128-H131 WeakPolarHBondContact CB-NE2 3.34Å; T128-H131 WeakPolarHBondContact CG2-NE2 3.45Å; T128-H131 CarbonylContact O-C 3.59Å; T128-H131 PolarHBondContact O-N 2.91Å; K129-H131 PolarHBondContact O-N 3.43Å
132	T	98.6	Very high	97.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	170.4	-55	0	0	0	0	110	V104 V106 W124 I125 T128 N149	V104-T132 HydrophobicContact CB-CG2 4.42Å; V104-T132 HydrophobicContact CG1-CG2 4.38Å; V104-T132 CarbonylContact O-C 3.42Å; V104-T132 WeakPolarHBondContact O-CA 3.35Å; V106-T132 HydrophobicContact CG2-CG2 3.61Å; W124-T132 HydrophobicContact CH2-CG2 3.92Å; W124-T132 HydrophobicContact CZ3-CG2 3.99Å; I125-T132 HydrophobicContact CD1-CG2 4.17Å; I125-T132 HydrophobicContact CG1-CG2 4.15Å; I125-T132 HydrophobicContact CG2-CG2 4.15Å; T128-T132 VanDerWaalsContact CB-OG1 3.25Å; T128-T132 WeakPolarHBondContact CB-OG1 3.46Å; T128-T132 PolarHBondContact O-N 3.26Å; T128-T132 VanDerWaalsContact O-N 3.07Å; T128-T132 PolarHBondContact O-OG1 3.39Å; T128-T132 PolarHBondContact OG1-OG1 2.9Å; T132-N149 PolarHBondContact O-ND2 3.26Å
133	F	98.7	Very high	97.3	Very high	40 Å²	40	44.9 Å²	44.9	18%	0.175	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.2	-176.1	-62.9	-96.5	0	0	0	109.2	Y103 V104 A105 V106 F135 N149	Y103-F133 HydrophobicContact CD1-CD2 4.06Å; Y103-F133 AromaticContact CD2-CD2 3.75Å; Y103-F133 HydrophobicContact CD2-CD2 3.75Å; Y103-F133 AromaticContact CD2-CE2 3.53Å; Y103-F133 HydrophobicContact CD2-CE2 3.53Å; Y103-F133 HydrophobicContact CD2-CZ 4.2Å; Y103-F133 HydrophobicContact CE1-CB 3.97Å; Y103-F133 AromaticContact CE1-CD2 3.77Å; Y103-F133 HydrophobicContact CE1-CD2 3.77Å; Y103-F133 AromaticContact CE1-CG 3.96Å; Y103-F133 HydrophobicContact CE1-CG 3.96Å; Y103-F133 HydrophobicContact CE2-CD1 4.11Å; Y103-F133 AromaticContact CE2-CD2 3.42Å; Y103-F133 HydrophobicContact CE2-CD2 3.42Å; Y103-F133 VanDerWaalsContact CE2-CD2 3.42Å; Y103-F133 HydrophobicContact CE2-CE1 4.08Å; Y103-F133 AromaticContact CE2-CE2 3.37Å; Y103-F133 HydrophobicContact CE2-CE2 3.37Å; Y103-F133 AromaticContact CE2-CG 3.82Å; Y103-F133 HydrophobicContact CE2-CG 3.82Å; Y103-F133 AromaticContact CE2-CZ 3.73Å; Y103-F133 HydrophobicContact CE2-CZ 3.73Å; Y103-F133 HydrophobicContact CG-CD2 4.05Å; Y103-F133 HydrophobicContact CG-CE2 4.17Å; Y103-F133 AromaticContact CZ-CD1 3.95Å; Y103-F133 AromaticContact CZ-CD2 3.41Å; Y103-F133 VanDerWaalsContact CZ-CD2 3.41Å; Y103-F133 AromaticContact CZ-CE2 3.9Å; Y103-F133 AromaticContact CZ-CG 3.45Å; Y103-F133 VanDerWaalsContact CZ-CG 3.45Å; Y103-F133 WeakPolarHBondContact OH-CG 3.38Å; V104-F133 PolarHBondContact O-N 3.36Å; A105-F133 WeakPolarHBondContact CA-O 3.4Å; V106-F133 PolarHBondContact N-O 2.95Å; F133-F135 HydrophobicContact CB-CD2 4.39Å; F133-F135 HydrophobicContact CB-CE2 3.61Å; F133-F135 HydrophobicContact CB-CZ 4.21Å; F133-F135 WeakPolarHBondContact O-CD2 3.35Å; F133-N149 WeakPolarHBondContact CA-O 3.16Å; F133-N149 HydrophobicContact CD1-CB 3.55Å; F133-N149 HydrophobicContact CE1-CB 3.92Å; F133-N149 HydrophobicContact CG-CB 4.17Å
134	I	98.8	Very high	97	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.9	-168.9	-60.3	159.3	0	0	0	108.8	V106 T108 L117 L121 N149 M150 V151	V106-I134 HydrophobicContact CB-CG1 4.5Å; T108-I134 HydrophobicContact CG2-CG2 3.66Å; L117-I134 HydrophobicContact CD1-CD1 4.07Å; L117-I134 HydrophobicContact CD1-CG1 4.24Å; L117-I134 HydrophobicContact CD1-CG2 3.95Å; L117-I134 HydrophobicContact CD2-CG2 3.91Å; L121-I134 HydrophobicContact CD2-CD1 3.97Å; I134-N149 PolarHBondContact N-O 3.35Å; I134-M150 HydrophobicContact CB-CG 4.44Å; I134-M150 WeakPolarHBondContact O-CA 3.3Å; I134-V151 PolarHBondContact O-N 2.69Å
135	F	98.7	Very high	96.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.3	-175.5	-67.6	-97.4	0	0	0	110.5	Y103 A105 V106 T108 F133 V151 T153 V170 E171	Y103-F135 HydrophobicContact CE1-CE2 4.04Å; Y103-F135 HydrophobicContact CE1-CZ 4.11Å; Y103-F135 VanDerWaalsContact OH-CZ 3.32Å; Y103-F135 WeakPolarHBondContact OH-CZ 3.49Å; A105-F135 HydrophobicContact CB-CD2 4.06Å; A105-F135 HydrophobicContact CB-CE2 3.77Å; V106-F135 PolarHBondContact O-N 2.69Å; T108-F135 PolarHBondContact N-O 3.22Å; F133-F135 HydrophobicContact CB-CD2 4.39Å; F133-F135 HydrophobicContact CB-CE2 3.61Å; F133-F135 HydrophobicContact CB-CZ 4.21Å; F133-F135 WeakPolarHBondContact O-CD2 3.35Å; F135-V151 HydrophobicContact CD1-CB 3.69Å; F135-V151 HydrophobicContact CD1-CG1 3.76Å; F135-V151 HydrophobicContact CD1-CG2 4.26Å; F135-V151 HydrophobicContact CE1-CB 3.8Å; F135-V151 HydrophobicContact CE1-CG1 3.73Å; F135-V151 HydrophobicContact CE1-CG2 3.91Å; F135-V151 HydrophobicContact CG-CB 4.28Å; F135-V151 HydrophobicContact CZ-CB 4.48Å; F135-V151 HydrophobicContact CZ-CG2 4.16Å; F135-T153 HydrophobicContact CB-CG2 4.04Å; F135-T153 HydrophobicContact CD1-CG2 4.03Å; F135-V170 HydrophobicContact CD1-CB 4.39Å; F135-V170 HydrophobicContact CD1-CG1 4.03Å; F135-V170 HydrophobicContact CE1-CG1 3.99Å; F135-V170 WeakPolarHBondContact CE1-O 3.43Å; F135-E171 HydrophobicContact CB-CG 3.91Å; F135-E171 HydrophobicContact CD1-CG 3.82Å; F135-E171 HydrophobicContact CD2-CB 4.47Å; F135-E171 HydrophobicContact CD2-CG 3.56Å; F135-E171 HydrophobicContact CE1-CB 4.46Å; F135-E171 HydrophobicContact CE1-CG 4.2Å; F135-E171 HydrophobicContact CE2-CB 4.39Å; F135-E171 HydrophobicContact CE2-CG 3.93Å; F135-E171 HydrophobicContact CG-CG 3.48Å; F135-E171 VanDerWaalsContact CG-CG 3.48Å; F135-E171 HydrophobicContact CZ-CB 4.38Å; F135-E171 HydrophobicContact CZ-CG 4.24Å
136	T	98.6	Very high	96.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.2	-168.6	179.3	0	0	0	0	112.3	H113 K138 M150 V151 V152 T153	H113-T136 PolarHBondContact CE1-OG1 3.46Å; H113-T136 PolarHBondContact NE2-OG1 2.92Å; T136-K138 WeakPolarHBondContact CG2-O 3.06Å; T136-K138 PolarHBondContact OG1-N 3.32Å; T136-K138 PolarHBondContact OG1-O 3.32Å; T136-M150 HydrophobicContact CG2-CE 3.69Å; T136-V151 PolarHBondContact N-O 3.21Å; T136-V152 CarbonylContact O-C 3.47Å; T136-V152 WeakPolarHBondContact O-CA 3.33Å; T136-T153 PolarHBondContact O-N 3.24Å; T136-T153 PolarHBondContact O-OG1 2.91Å
137	D	97.7	Very high	96.7	Very high	28 Å²	28	56 Å²	56	15%	0.15	29%	0.293	C	S	.	.	S	Bend	trans	-84.3	-7.3	177	40.9	72.6	0	0	0	114.7	T109 A110 C155 S157 K167	T109-D137 VanDerWaalsContact CA-OD2 3.24Å; T109-D137 WeakPolarHBondContact CA-OD2 3.49Å; T109-D137 WeakPolarHBondContact CB-OD2 3.41Å; T109-D137 VanDerWaalsContact OG1-CG 3.31Å; T109-D137 PolarHBondContact OG1-OD1 2.84Å; T109-D137 VanDerWaalsContact OG1-OD1 3.11Å; T109-D137 PolarHBondContact OG1-OD2 3.12Å; A110-D137 WeakPolarHBondContact CB-OD1 3.25Å; A110-D137 PolarHBondContact N-OD1 2.89Å; D137-C155 WeakPolarHBondContact CB-O 3.17Å; D137-S157 WeakPolarHBondContact OD1-CB 3.39Å; D137-S157 VanDerWaalsContact OD2-CA 3.29Å; D137-S157 WeakPolarHBondContact OD2-CA 3.44Å; D137-S157 WeakPolarHBondContact OD2-CB 3.48Å; D137-K167 WeakPolarHBondContact OD2-CE 3.33Å; D137-K167 IonicContact OD2-NZ 2.93Å; D137-K167 PolarHBondContact OD2-NZ 2.84Å
138	K	97.4	Very high	96.8	Very high	137 Å²	137	52 Å²	52	60%	0.596	28%	0.278	S	S	*	.	S	Bend	trans	-149.6	150.1	177.1	-160.1	-173.8	172.9	-169.4	0	111.8	A110 H113 T136	A110-K138 HydrophobicContact CB-CB 3.7Å; A110-K138 HydrophobicContact CB-CD 4.32Å; H113-K138 PolarHBondContact CE1-O 2.97Å; T136-K138 WeakPolarHBondContact CG2-O 3.06Å; T136-K138 PolarHBondContact OG1-N 3.32Å; T136-K138 PolarHBondContact OG1-O 3.32Å
139	E	95.6	Very high	96.8	Very high	110 Å²	110	54.4 Å²	54.4	51%	0.514	29%	0.292	S	S	.	.			trans	-65.7	148.4	170.2	-171.4	161.1	-154.5	0	0	113.2	E141 V152	E139-E141 HydrophobicContact CG-CG 4.48Å; E139-V152 HydrophobicContact CB-CG2 3.91Å
140	D	97.3	Very high	96.8	Very high	19 Å²	19	52.2 Å²	52.2	10%	0.102	28%	0.283	C	S	.	.			trans	-131.5	97.4	165.8	-173.1	-22	0	0	0	108.2	H113 K114 E142 L143 S144 M150	H113-D140 IonicContact ND1-OD2 2.76Å; K114-D140 WeakPolarHBondContact CE-OD2 3.5Å; K114-D140 VanDerWaalsContact NZ-CG 3.28Å; K114-D140 IonicContact NZ-OD1 3.13Å; K114-D140 PolarHBondContact NZ-OD1 3.46Å; K114-D140 VanDerWaalsContact NZ-OD1 3.07Å; K114-D140 IonicContact NZ-OD2 3.09Å; K114-D140 PolarHBondContact NZ-OD2 3.12Å; D140-E142 PolarHBondContact O-N 2.74Å; D140-E142 VanDerWaalsContact O-N 3.13Å; D140-E142 WeakPolarHBondContact OD1-CB 3.35Å; D140-E142 PolarHBondContact OD1-N 3.09Å; D140-L143 HydrophobicContact CB-CB 4.23Å; D140-L143 HydrophobicContact CB-CD1 4.11Å; D140-L143 HydrophobicContact CB-CG 4.15Å; D140-L143 PolarHBondContact O-N 2.74Å; D140-S144 PolarHBondContact O-N 3.07Å; D140-S144 PolarHBondContact O-OG 3.3Å; D140-M150 HydrophobicContact CB-CE 4.06Å; D140-M150 HydrophobicContact CB-SD 4.18Å
141	E	95.8	Very high	97	Very high	151 Å²	151	50.5 Å²	50.5	71%	0.706	26%	0.264	S	S	*	.	H	α-helix	trans	-56.2	-29.4	-176.1	-65.4	174.5	-162.7	0	0	112.9	E139 L143 S145	E139-E141 HydrophobicContact CG-CG 4.48Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.31Å; E141-S145 PolarHBondContact O-OG 3.18Å
142	E	96.3	Very high	97.2	Very high	91 Å²	91	53.7 Å²	53.7	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-35.6	177.8	-163.4	-156.2	154.4	0	0	111.5	K114 D140 S145 K146	K114-E142 IonicContact NZ-OE2 3.95Å; K114-E142 PolarHBondContact NZ-OE2 2.76Å; D140-E142 PolarHBondContact O-N 2.74Å; D140-E142 VanDerWaalsContact O-N 3.13Å; D140-E142 WeakPolarHBondContact OD1-CB 3.35Å; D140-E142 PolarHBondContact OD1-N 3.09Å; E142-S145 PolarHBondContact O-OG 2.73Å; E142-K146 WeakPolarHBondContact O-CD 3.08Å; E142-K146 WeakPolarHBondContact O-CG 3.08Å; E142-K146 PolarHBondContact O-N 2.69Å; E142-K146 WeakPolarHBondContact OE1-CE 3.26Å; E142-K146 IonicContact OE1-NZ 3.17Å; E142-K146 PolarHBondContact OE1-NZ 2.84Å
143	L	96.6	Very high	97.1	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-82.8	-39.3	178.9	-64.2	-175	0	0	0	111.3	L117 L121 D140 E141 K146 G147 Y148 M150	L117-L143 HydrophobicContact CD2-CD1 3.66Å; L121-L143 HydrophobicContact CD1-CD1 4.05Å; L121-L143 HydrophobicContact CD1-CD2 3.42Å; L121-L143 VanDerWaalsContact CD1-CD2 3.42Å; L121-L143 HydrophobicContact CD1-CG 4.36Å; D140-L143 HydrophobicContact CB-CB 4.23Å; D140-L143 HydrophobicContact CB-CD1 4.11Å; D140-L143 HydrophobicContact CB-CG 4.15Å; D140-L143 PolarHBondContact O-N 2.74Å; E141-L143 VanDerWaalsContact C-N 3.33Å; L143-K146 PolarHBondContact O-N 2.9Å; L143-G147 PolarHBondContact O-N 2.6Å; L143-Y148 HydrophobicContact CB-CD2 4.39Å; L143-Y148 HydrophobicContact CD2-CD2 4.25Å; L143-Y148 HydrophobicContact CD2-CE2 4.42Å; L143-Y148 WeakPolarHBondContact O-CD2 3.4Å; L143-Y148 PolarHBondContact O-N 3.1Å; L143-M150 HydrophobicContact CB-CG 4.48Å; L143-M150 HydrophobicContact CB-SD 3.33Å; L143-M150 WeakPolarHBondContact CB-SD 3.41Å; L143-M150 HydrophobicContact CD1-CE 4.38Å; L143-M150 HydrophobicContact CD1-SD 4.03Å; L143-M150 HydrophobicContact CG-SD 4.3Å
144	S	93.8	Very high	97	Very high	44 Å²	44	55.8 Å²	55.8	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-46.7	171.9	-62.3	0	0	0	0	111.8	D140 K146 G147	D140-S144 PolarHBondContact O-N 3.07Å; D140-S144 PolarHBondContact O-OG 3.3Å; S144-K146 VanDerWaalsContact C-N 3.33Å; S144-K146 PolarHBondContact O-N 3.46Å; S144-G147 WeakPolarHBondContact O-CA 3.37Å; S144-G147 PolarHBondContact O-N 2.88Å
145	S	96.1	Very high	96.9	Very high	100 Å²	100	56.2 Å²	56.2	70%	0.699	32%	0.316	S	S	*	.	H	α-helix	trans	-68.3	-27.4	178.5	57.2	0	0	0	0	113.8	E141 E142 G147	E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.31Å; E141-S145 PolarHBondContact O-OG 3.18Å; E142-S145 PolarHBondContact O-OG 2.73Å; S145-G147 PolarHBondContact O-N 3.16Å
146	K	96.3	Very high	96.8	Very high	104 Å²	104	62.1 Å²	62.1	45%	0.452	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.3	166.6	-73.1	170.9	-168.2	175.7	0	113.2	K129 E142 L143 S144 Y148	K129-K146 PolarHBondContact NZ-O 2.99Å; E142-K146 WeakPolarHBondContact O-CD 3.08Å; E142-K146 WeakPolarHBondContact O-CG 3.08Å; E142-K146 PolarHBondContact O-N 2.69Å; E142-K146 WeakPolarHBondContact OE1-CE 3.26Å; E142-K146 IonicContact OE1-NZ 3.17Å; E142-K146 PolarHBondContact OE1-NZ 2.84Å; L143-K146 PolarHBondContact O-N 2.9Å; S144-K146 VanDerWaalsContact C-N 3.33Å; S144-K146 PolarHBondContact O-N 3.46Å; K146-Y148 HydrophobicContact CB-CD2 3.86Å; K146-Y148 HydrophobicContact CB-CE2 3.85Å; K146-Y148 HydrophobicContact CD-CE2 4.28Å
147	G	96.2	Very high	96.6	Very high	43 Å²	43	65.2 Å²	65.2	44%	0.443	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	34.7	177.4	0	0	0	0	0	113.8	K129 L143 S144 S145	K129-G147 WeakPolarHBondContact CE-O 3.4Å; L143-G147 PolarHBondContact O-N 2.6Å; S144-G147 WeakPolarHBondContact O-CA 3.37Å; S144-G147 PolarHBondContact O-N 2.88Å; S145-G147 PolarHBondContact O-N 3.16Å
148	Y	97.5	Very high	96.3	Very high	45 Å²	45	67.6 Å²	67.6	18%	0.176	38%	0.378	C	S	.	.			trans	-83.2	142.9	166.2	-69	-70.3	0	0	0	110.2	L121 I125 K129 L143 K146 M150	L121-Y148 HydrophobicContact CD1-CD2 4.45Å; L121-Y148 HydrophobicContact CD1-CE2 4.16Å; L121-Y148 HydrophobicContact CD2-CD1 3.77Å; L121-Y148 HydrophobicContact CD2-CD2 4.32Å; L121-Y148 HydrophobicContact CD2-CE1 3.64Å; L121-Y148 HydrophobicContact CD2-CE2 4.17Å; L121-Y148 HydrophobicContact CD2-CG 4.13Å; I125-Y148 HydrophobicContact CG2-CD1 4.43Å; I125-Y148 HydrophobicContact CG2-CE1 4.28Å; K129-Y148 HydrophobicContact CD-CD1 3.96Å; K129-Y148 HydrophobicContact CD-CE1 3.67Å; K129-Y148 HydrophobicContact CG-CD1 3.78Å; K129-Y148 HydrophobicContact CG-CE1 3.8Å; L143-Y148 HydrophobicContact CB-CD2 4.39Å; L143-Y148 HydrophobicContact CD2-CD2 4.25Å; L143-Y148 HydrophobicContact CD2-CE2 4.42Å; L143-Y148 WeakPolarHBondContact O-CD2 3.4Å; L143-Y148 PolarHBondContact O-N 3.1Å; K146-Y148 HydrophobicContact CB-CD2 3.86Å; K146-Y148 HydrophobicContact CB-CE2 3.85Å; K146-Y148 HydrophobicContact CD-CE2 4.28Å; Y148-M150 VanDerWaalsContact C-N 3.28Å; Y148-M150 PolarHBondContact O-N 3.42Å
149	N	97.1	Very high	96	Very high	56 Å²	56	66.5 Å²	66.5	30%	0.299	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	76.6	-178.5	-49.2	-63.9	0	0	0	110.8	K129 T132 F133 I134	K129-N149 PolarHBondContact O-ND2 3.22Å; T132-N149 PolarHBondContact O-ND2 3.26Å; F133-N149 WeakPolarHBondContact CA-O 3.16Å; F133-N149 HydrophobicContact CD1-CB 3.55Å; F133-N149 HydrophobicContact CE1-CB 3.92Å; F133-N149 HydrophobicContact CG-CB 4.17Å; I134-N149 PolarHBondContact N-O 3.35Å
150	M	97.5	Very high	96	Very high	32 Å²	32	63.4 Å²	63.4	16%	0.158	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.4	177.1	-65.9	-165.4	71.7	0	0	111.8	I134 T136 D140 L143 Y148	I134-M150 HydrophobicContact CB-CG 4.44Å; I134-M150 WeakPolarHBondContact O-CA 3.3Å; T136-M150 HydrophobicContact CG2-CE 3.69Å; D140-M150 HydrophobicContact CB-CE 4.06Å; D140-M150 HydrophobicContact CB-SD 4.18Å; L143-M150 HydrophobicContact CB-CG 4.48Å; L143-M150 HydrophobicContact CB-SD 3.33Å; L143-M150 WeakPolarHBondContact CB-SD 3.41Å; L143-M150 HydrophobicContact CD1-CE 4.38Å; L143-M150 HydrophobicContact CD1-SD 4.03Å; L143-M150 HydrophobicContact CG-SD 4.3Å; Y148-M150 VanDerWaalsContact C-N 3.28Å; Y148-M150 PolarHBondContact O-N 3.42Å
151	V	98.2	Very high	95.9	Very high	41 Å²	41	65.8 Å²	65.8	25%	0.248	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111	176	-176.3	0	0	0	0	108.4	I134 F135 T136 T153 V170	I134-V151 PolarHBondContact O-N 2.69Å; F135-V151 HydrophobicContact CD1-CB 3.69Å; F135-V151 HydrophobicContact CD1-CG1 3.76Å; F135-V151 HydrophobicContact CD1-CG2 4.26Å; F135-V151 HydrophobicContact CE1-CB 3.8Å; F135-V151 HydrophobicContact CE1-CG1 3.73Å; F135-V151 HydrophobicContact CE1-CG2 3.91Å; F135-V151 HydrophobicContact CG-CB 4.28Å; F135-V151 HydrophobicContact CZ-CB 4.48Å; F135-V151 HydrophobicContact CZ-CG2 4.16Å; T136-V151 PolarHBondContact N-O 3.21Å; V151-T153 PolarHBondContact O-N 2.89Å; V151-V170 HydrophobicContact CG1-CG1 3.99Å
152	V	98.1	Very high	95.9	Very high	74 Å²	74	65 Å²	65	45%	0.448	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110	174.2	-175.9	0	0	0	0	108.2	T136 E139	T136-V152 CarbonylContact O-C 3.47Å; T136-V152 WeakPolarHBondContact O-CA 3.33Å; E139-V152 HydrophobicContact CB-CG2 3.91Å
153	T	97.5	Very high	95.9	Very high	21 Å²	21	60.7 Å²	60.7	13%	0.129	35%	0.352	C	S	.	.			trans	-81.1	-18.6	-166.8	60.5	0	0	0	0	114.4	F135 T136 V151 C155 K167 V170	F135-T153 HydrophobicContact CB-CG2 4.04Å; F135-T153 HydrophobicContact CD1-CG2 4.03Å; T136-T153 PolarHBondContact O-N 3.24Å; T136-T153 PolarHBondContact O-OG1 2.91Å; V151-T153 PolarHBondContact O-N 2.89Å; T153-C155 PolarHBondContact O-N 3.13Å; T153-C155 WeakPolarHBondContact OG1-CB 3.48Å; T153-C155 PolarHBondContact OG1-N 3.36Å; T153-K167 HydrophobicContact CG2-CG 4.42Å; T153-V170 HydrophobicContact CG2-CB 4.04Å; T153-V170 HydrophobicContact CG2-CG1 4.01Å; T153-V170 HydrophobicContact CG2-CG2 4.37Å
154	G	96.6	Very high	95.9	Very high	66 Å²	66	61.9 Å²	61.9	68%	0.68	36%	0.359	S	S	*	.			trans	70.6	-1.1	-169.1	0	0	0	0	0	114.4
155	C	97.1	Very high	96.1	Very high	9 Å²	9	60 Å²	60	6%	0.061	35%	0.345	C	S	.	.			trans	-74	162.4	177.4	-57.7	0	0	0	0	112.2	D137 T153 C166 K167	D137-C155 WeakPolarHBondContact CB-O 3.17Å; T153-C155 PolarHBondContact O-N 3.13Å; T153-C155 WeakPolarHBondContact OG1-CB 3.48Å; T153-C155 PolarHBondContact OG1-N 3.36Å; C155-C166 VanDerWaalsContact CA-SG 3.58Å; C155-C166 HydrophobicContact CB-CB 3.76Å; C155-C166 WeakPolarHBondContact CB-SG 3.5Å; C155-C166 WeakPolarHBondContact SG-CB 3.32Å; C155-C166 PolarHBondContact SG-O 3.1Å; C155-C166 VanDerWaalsContact SG-O 3.36Å; C155-C166 CovalentContact SG-SG 2.04Å; C155-C166 PolarHBondContact SG-SG 3.38Å; C155-K167 HydrophobicContact CB-CG 3.86Å; C155-K167 PolarHBondContact SG-N 3.17Å; C155-K167 VanDerWaalsContact SG-N 3.43Å
156	Q	95.8	Very high	96.2	Very high	125 Å²	125	56.3 Å²	56.3	58%	0.584	32%	0.319	S	S	*	.			trans	-64.3	155.5	175	-60.7	-58.2	-54.3	0	0	112.1	A163 K167	Q156-A163 HydrophobicContact CB-CB 3.9Å; Q156-K167 PolarHBondContact O-NZ 2.77Å
157	S	94.1	Very high	96.3	Very high	65 Å²	65	51.6 Å²	51.6	46%	0.455	30%	0.299	S	S	.	.	S	Bend	trans	-93.7	1.6	-175.5	63	0	0	0	0	115.4	D137	D137-S157 WeakPolarHBondContact OD1-CB 3.39Å; D137-S157 VanDerWaalsContact OD2-CA 3.29Å; D137-S157 WeakPolarHBondContact OD2-CA 3.44Å; D137-S157 WeakPolarHBondContact OD2-CB 3.48Å
158	D	92	Very high	96.4	Very high	78 Å²	78	49.7 Å²	49.7	42%	0.417	28%	0.278	S	S	.	.	S	Bend	trans	-89.2	178.2	175.9	67	38	0	0	0	112.7	S160 A163	D158-S160 WeakPolarHBondContact OD1-CB 3.47Å; D158-S160 PolarHBondContact OD1-N 3.45Å; D158-S160 PolarHBondContact OD1-OG 2.97Å; D158-A163 VanDerWaalsContact O-CB 3.28Å; D158-A163 WeakPolarHBondContact O-CB 3.23Å; D158-A163 VanDerWaalsContact OD1-CB 3.27Å; D158-A163 WeakPolarHBondContact OD1-CB 3.34Å
159	H	90.8	Very high	96.4	Very high	114 Å²	114	47.8 Å²	47.8	53%	0.528	27%	0.272	S	S	.	.			trans	-100.1	31.7	176.7	-61	176.8	0	0	0	111.3	R111	R111-H159 PolarHBondContact NH2-CD2 3.14Å; R111-H159 PolarHBondContact NH2-CE1 3.29Å; R111-H159 PolarHBondContact NH2-NE2 3.1Å
160	S	95.8	Very high	96.5	Very high	45 Å²	45	47 Å²	47	32%	0.315	27%	0.269	S	S	.	.			trans	-70.7	155.3	171.9	65.9	0	0	0	0	111	D158 Q162 A163 L164	D158-S160 WeakPolarHBondContact OD1-CB 3.47Å; D158-S160 PolarHBondContact OD1-N 3.45Å; D158-S160 PolarHBondContact OD1-OG 2.97Å; S160-Q162 PolarHBondContact O-N 3.2Å; S160-A163 PolarHBondContact O-N 2.93Å; S160-A163 VanDerWaalsContact O-N 3.11Å; S160-A163 WeakPolarHBondContact OG-CB 3.28Å; S160-A163 PolarHBondContact OG-N 2.85Å; S160-L164 WeakPolarHBondContact O-CG 3.45Å; S160-L164 PolarHBondContact O-N 3Å
161	Q	95	Very high	96.6	Very high	69 Å²	69	45.5 Å²	45.5	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-49.9	-43.5	174.1	-170.7	-160.4	-14.7	0	0	111.7	S165 S269 L274	Q161-S165 VanDerWaalsContact O-CB 3.3Å; Q161-S165 WeakPolarHBondContact O-CB 3.37Å; Q161-S165 PolarHBondContact O-N 2.98Å; Q161-S165 PolarHBondContact O-OG 2.68Å; Q161-S269 PolarHBondContact NE2-O 3.13Å; Q161-S269 PolarHBondContact NE2-OG 3.34Å; Q161-L274 WeakPolarHBondContact CG-O 3.39Å; Q161-L274 PolarHBondContact NE2-O 3.03Å
162	Q	95.4	Very high	96.6	Very high	133 Å²	133	43.8 Å²	43.8	62%	0.621	25%	0.251	S	S	*	.	H	α-helix	trans	-67.8	-43.7	179.6	-172.4	177.8	6.9	0	0	112.1	S160 L164 S165 C166	S160-Q162 PolarHBondContact O-N 3.2Å; Q162-L164 PolarHBondContact O-N 3.36Å; Q162-S165 WeakPolarHBondContact CA-OG 3.43Å; Q162-S165 PolarHBondContact O-OG 2.86Å; Q162-C166 WeakPolarHBondContact O-CB 3.37Å; Q162-C166 PolarHBondContact O-N 2.84Å
163	A	96.1	Very high	96.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-43.4	178.3	0	0	0	0	0	112.4	Q156 D158 S160 K167	Q156-A163 HydrophobicContact CB-CB 3.9Å; D158-A163 VanDerWaalsContact O-CB 3.28Å; D158-A163 WeakPolarHBondContact O-CB 3.23Å; D158-A163 VanDerWaalsContact OD1-CB 3.27Å; D158-A163 WeakPolarHBondContact OD1-CB 3.34Å; S160-A163 PolarHBondContact O-N 2.93Å; S160-A163 VanDerWaalsContact O-N 3.11Å; S160-A163 WeakPolarHBondContact OG-CB 3.28Å; S160-A163 PolarHBondContact OG-N 2.85Å; A163-K167 PolarHBondContact O-N 3.1Å
164	L	96.6	Very high	96.7	Very high	35 Å²	35	42.6 Å²	42.6	18%	0.183	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-44.6	179.6	-64.2	175.5	0	0	0	111.9	K107 S160 Q162 C166 K167 M168 D276	K107-L164 HydrophobicContact CD-CD2 3.96Å; S160-L164 WeakPolarHBondContact O-CG 3.45Å; S160-L164 PolarHBondContact O-N 3Å; Q162-L164 PolarHBondContact O-N 3.36Å; L164-C166 VanDerWaalsContact C-N 3.33Å; L164-C166 PolarHBondContact O-N 3.41Å; L164-K167 PolarHBondContact O-N 2.81Å; L164-M168 WeakPolarHBondContact O-CB 3.32Å; L164-M168 PolarHBondContact O-N 2.65Å; L164-D276 HydrophobicContact CB-CB 4.38Å
165	S	97.5	Very high	96.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-33.5	176.3	56.2	0	0	0	0	113.3	Q161 Q162 S169 F265	Q161-S165 VanDerWaalsContact O-CB 3.3Å; Q161-S165 WeakPolarHBondContact O-CB 3.37Å; Q161-S165 PolarHBondContact O-N 2.98Å; Q161-S165 PolarHBondContact O-OG 2.68Å; Q162-S165 WeakPolarHBondContact CA-OG 3.43Å; Q162-S165 PolarHBondContact O-OG 2.86Å; S165-S169 PolarHBondContact O-N 3.15Å; S165-F265 VanDerWaalsContact O-CD1 3.32Å; S165-F265 WeakPolarHBondContact O-CD1 3.4Å
166	C	98.3	Very high	96.9	Very high	23 Å²	23	41 Å²	41	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-45.8	169.6	178.6	0	0	0	0	111.5	C155 Q162 L164 M168 S169 V170 E266	C155-C166 VanDerWaalsContact CA-SG 3.58Å; C155-C166 HydrophobicContact CB-CB 3.76Å; C155-C166 WeakPolarHBondContact CB-SG 3.5Å; C155-C166 WeakPolarHBondContact SG-CB 3.32Å; C155-C166 PolarHBondContact SG-O 3.1Å; C155-C166 VanDerWaalsContact SG-O 3.36Å; C155-C166 CovalentContact SG-SG 2.04Å; C155-C166 PolarHBondContact SG-SG 3.38Å; Q162-C166 WeakPolarHBondContact O-CB 3.37Å; Q162-C166 PolarHBondContact O-N 2.84Å; L164-C166 VanDerWaalsContact C-N 3.33Å; L164-C166 PolarHBondContact O-N 3.41Å; C166-M168 PolarHBondContact O-N 3.05Å; C166-S169 PolarHBondContact O-N 2.9Å; C166-S169 PolarHBondContact O-OG 2.89Å; C166-V170 WeakPolarHBondContact O-CG2 3.49Å; C166-V170 PolarHBondContact O-N 2.84Å; C166-E266 HydrophobicContact CB-CG 4.35Å
167	K	98.4	Very high	97	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-44.4	177	-75.1	-171.6	169.5	102.1	0	111.6	K107 T108 D137 T153 C155 Q156 A163 L164 S169 V170 E171	K107-K167 HydrophobicContact CD-CB 4.3Å; K107-K167 HydrophobicContact CD-CD 4.43Å; K107-K167 HydrophobicContact CG-CB 4.18Å; K107-K167 HydrophobicContact CG-CD 3.91Å; T108-K167 VanDerWaalsContact O-CE 3.28Å; T108-K167 WeakPolarHBondContact O-CE 3.44Å; D137-K167 WeakPolarHBondContact OD2-CE 3.33Å; D137-K167 IonicContact OD2-NZ 2.93Å; D137-K167 PolarHBondContact OD2-NZ 2.84Å; T153-K167 HydrophobicContact CG2-CG 4.42Å; C155-K167 HydrophobicContact CB-CG 3.86Å; C155-K167 PolarHBondContact SG-N 3.17Å; C155-K167 VanDerWaalsContact SG-N 3.43Å; Q156-K167 PolarHBondContact O-NZ 2.77Å; A163-K167 PolarHBondContact O-N 3.1Å; L164-K167 PolarHBondContact O-N 2.81Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 2.79Å; K167-V170 PolarHBondContact O-N 2.93Å; K167-E171 WeakPolarHBondContact O-CG 3.49Å; K167-E171 PolarHBondContact O-N 2.91Å
168	M	98.7	Very high	97.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-33.8	177.7	-176.4	61.2	63.1	0	0	113.3	L164 C166 E171 Y172 F183 H185 F246 F265 D276 V280	L164-M168 WeakPolarHBondContact O-CB 3.32Å; L164-M168 PolarHBondContact O-N 2.65Å; C166-M168 PolarHBondContact O-N 3.05Å; M168-E171 PolarHBondContact O-N 3.25Å; M168-Y172 WeakPolarHBondContact O-CB 3.25Å; M168-Y172 PolarHBondContact O-N 3.26Å; M168-F183 HydrophobicContact SD-CZ 4.39Å; M168-H185 HydrophobicContact CE-CB 4.43Å; M168-F246 HydrophobicContact CE-CE1 4.28Å; M168-F246 HydrophobicContact CE-CZ 4Å; M168-F246 HydrophobicContact SD-CZ 4.21Å; M168-F265 HydrophobicContact CB-CD1 4.27Å; M168-F265 HydrophobicContact CB-CE1 3.75Å; M168-F265 HydrophobicContact CB-CZ 4.07Å; M168-F265 HydrophobicContact CG-CD1 4.28Å; M168-F265 HydrophobicContact CG-CE1 3.57Å; M168-F265 HydrophobicContact CG-CE2 3.88Å; M168-F265 HydrophobicContact CG-CZ 3.34Å; M168-D276 HydrophobicContact CB-CB 3.89Å; M168-D276 HydrophobicContact CE-CB 4.42Å; M168-D276 WeakPolarHBondContact CE-OD2 3.42Å; M168-D276 HydrophobicContact CG-CB 4.15Å; M168-V280 HydrophobicContact SD-CG2 4.45Å
169	S	98.4	Very high	97.3	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-41.4	175.3	74	0	0	0	0	111.8	S165 C166 K167 Y172 D173 G262	S165-S169 PolarHBondContact O-N 3.15Å; C166-S169 PolarHBondContact O-N 2.9Å; C166-S169 PolarHBondContact O-OG 2.89Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 2.79Å; S169-Y172 PolarHBondContact O-N 3.21Å; S169-D173 WeakPolarHBondContact O-CB 3.3Å; S169-D173 PolarHBondContact O-N 3.46Å; S169-G262 WeakPolarHBondContact CB-O 3.41Å
170	V	98.7	Very high	97.7	Very high	39 Å²	39	36.3 Å²	36.3	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-69.3	-35.8	176.1	-171.7	0	0	0	0	111.5	F135 V151 T153 C166 K167 G174	F135-V170 HydrophobicContact CD1-CB 4.39Å; F135-V170 HydrophobicContact CD1-CG1 4.03Å; F135-V170 HydrophobicContact CE1-CG1 3.99Å; F135-V170 WeakPolarHBondContact CE1-O 3.43Å; V151-V170 HydrophobicContact CG1-CG1 3.99Å; T153-V170 HydrophobicContact CG2-CB 4.04Å; T153-V170 HydrophobicContact CG2-CG1 4.01Å; T153-V170 HydrophobicContact CG2-CG2 4.37Å; C166-V170 WeakPolarHBondContact O-CG2 3.49Å; C166-V170 PolarHBondContact O-N 2.84Å; K167-V170 PolarHBondContact O-N 2.93Å; V170-G174 PolarHBondContact O-N 3.14Å
171	E	98.8	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-48.4	171.5	-72.2	174.4	-122.3	0	0	111.9	A105 K107 F135 K167 M168 G174 F175 F183 H185	A105-E171 HydrophobicContact CB-CB 4.16Å; A105-E171 HydrophobicContact CB-CG 4.02Å; A105-E171 WeakPolarHBondContact CB-OE2 3.37Å; K107-E171 WeakPolarHBondContact CB-OE1 3.34Å; K107-E171 WeakPolarHBondContact CE-OE1 3.48Å; K107-E171 WeakPolarHBondContact CG-OE1 3.37Å; F135-E171 HydrophobicContact CB-CG 3.91Å; F135-E171 HydrophobicContact CD1-CG 3.82Å; F135-E171 HydrophobicContact CD2-CB 4.47Å; F135-E171 HydrophobicContact CD2-CG 3.56Å; F135-E171 HydrophobicContact CE1-CB 4.46Å; F135-E171 HydrophobicContact CE1-CG 4.2Å; F135-E171 HydrophobicContact CE2-CB 4.39Å; F135-E171 HydrophobicContact CE2-CG 3.93Å; F135-E171 HydrophobicContact CG-CG 3.48Å; F135-E171 VanDerWaalsContact CG-CG 3.48Å; F135-E171 HydrophobicContact CZ-CB 4.38Å; F135-E171 HydrophobicContact CZ-CG 4.24Å; K167-E171 WeakPolarHBondContact O-CG 3.49Å; K167-E171 PolarHBondContact O-N 2.91Å; M168-E171 PolarHBondContact O-N 3.25Å; E171-G174 PolarHBondContact O-N 3.04Å; E171-F175 PolarHBondContact O-N 3.24Å; E171-F175 VanDerWaalsContact O-N 3.1Å; E171-F183 HydrophobicContact CB-CE2 4.22Å; E171-F183 HydrophobicContact CB-CZ 4.1Å; E171-H185 IonicContact OE2-CE1 2.65Å; E171-H185 IonicContact OE2-CG 2.85Å; E171-H185 IonicContact OE2-ND1 3.92Å; E171-H185 PolarHBondContact OE2-ND1 2.89Å
172	Y	98.9	Very high	98	Very high	6 Å²	6	33 Å²	33	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-49.2	178.4	174.2	-86.1	0	0	0	111.8	M168 S169 G174 F175 M176 A253 M256 S257 A260	M168-Y172 WeakPolarHBondContact O-CB 3.25Å; M168-Y172 PolarHBondContact O-N 3.26Å; S169-Y172 PolarHBondContact O-N 3.21Å; Y172-G174 VanDerWaalsContact C-N 3.32Å; Y172-G174 PolarHBondContact O-N 2.79Å; Y172-F175 WeakPolarHBondContact O-CB 3.4Å; Y172-F175 PolarHBondContact O-N 2.61Å; Y172-M176 HydrophobicContact CD1-CG 4.03Å; Y172-M176 HydrophobicContact CE1-CG 3.55Å; Y172-M176 HydrophobicContact CE1-SD 4.41Å; Y172-M176 HydrophobicContact CE2-CG 4.33Å; Y172-M176 HydrophobicContact CE2-SD 4.39Å; Y172-M176 WeakPolarHBondContact O-CG 3.44Å; Y172-M176 PolarHBondContact O-N 2.99Å; Y172-A253 HydrophobicContact CE2-CB 3.95Å; Y172-A253 PolarHBondContact OH-O 3.11Å; Y172-M256 HydrophobicContact CE2-CB 4.23Å; Y172-S257 WeakPolarHBondContact OH-CA 3.26Å; Y172-S257 WeakPolarHBondContact OH-CB 3.47Å; Y172-S257 PolarHBondContact OH-N 3Å; Y172-S257 VanDerWaalsContact OH-N 3.12Å; Y172-A260 HydrophobicContact CD1-CB 4.1Å; Y172-A260 WeakPolarHBondContact CD1-O 3.08Å; Y172-A260 HydrophobicContact CD2-CB 4.06Å; Y172-A260 HydrophobicContact CE1-CB 3.83Å; Y172-A260 HydrophobicContact CE2-CB 3.77Å; Y172-A260 HydrophobicContact CG-CB 4.22Å
173	D	98.8	Very high	98.1	Very high	47 Å²	47	26.8 Å²	26.8	25%	0.251	16%	0.16	S	C	.	.	H	α-helix	trans	-63.8	-37.6	178.7	-75.8	-21	0	0	0	111.9	S169 F175 M176 A177 S261 G262	S169-D173 WeakPolarHBondContact O-CB 3.3Å; S169-D173 PolarHBondContact O-N 3.46Å; D173-F175 VanDerWaalsContact C-N 3.31Å; D173-F175 PolarHBondContact O-N 3.42Å; D173-M176 PolarHBondContact O-N 3.19Å; D173-A177 WeakPolarHBondContact O-CB 3.34Å; D173-A177 PolarHBondContact O-N 2.96Å; D173-S261 VanDerWaalsContact OD1-CA 3.26Å; D173-S261 WeakPolarHBondContact OD1-CA 3.47Å; D173-S261 WeakPolarHBondContact OD1-CB 3.41Å; D173-S261 PolarHBondContact OD1-OG 2.94Å; D173-G262 VanDerWaalsContact CG-N 3.34Å; D173-G262 PolarHBondContact OD1-N 2.86Å; D173-G262 VanDerWaalsContact OD1-N 3.11Å; D173-G262 WeakPolarHBondContact OD2-CA 3.36Å; D173-G262 PolarHBondContact OD2-N 2.89Å
174	G	98.6	Very high	98.3	Very high	23 Å²	23	27 Å²	27	24%	0.237	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-37.8	174.1	0	0	0	0	0	113	Y103 V170 E171 Y172 S178	Y103-G174 WeakPolarHBondContact CE2-O 3.44Å; V170-G174 PolarHBondContact O-N 3.14Å; E171-G174 PolarHBondContact O-N 3.04Å; Y172-G174 VanDerWaalsContact C-N 3.32Å; Y172-G174 PolarHBondContact O-N 2.79Å; G174-S178 PolarHBondContact O-N 3.38Å
175	F	98.8	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-46	170.4	167.6	-109.8	0	0	0	112.6	Y103 E171 Y172 D173 A177 S178 K180 W182 F183 R250 A253	Y103-F175 VanDerWaalsContact CB-CD2 3.5Å; Y103-F175 HydrophobicContact CD1-CB 4.02Å; Y103-F175 HydrophobicContact CD1-CD2 4.43Å; Y103-F175 HydrophobicContact CD2-CB 4.41Å; Y103-F175 HydrophobicContact CD2-CD2 4.2Å; Y103-F175 HydrophobicContact CE1-CB 4.25Å; Y103-F175 HydrophobicContact CG-CB 4.12Å; Y103-F175 AromaticContact CG-CD2 3.83Å; Y103-F175 HydrophobicContact CG-CD2 3.83Å; Y103-F175 HydrophobicContact CG-CG 4.47Å; E171-F175 PolarHBondContact O-N 3.24Å; E171-F175 VanDerWaalsContact O-N 3.1Å; Y172-F175 WeakPolarHBondContact O-CB 3.4Å; Y172-F175 PolarHBondContact O-N 2.61Å; D173-F175 VanDerWaalsContact C-N 3.31Å; D173-F175 PolarHBondContact O-N 3.42Å; F175-A177 VanDerWaalsContact C-N 3.28Å; F175-A177 PolarHBondContact O-N 3.2Å; F175-S178 WeakPolarHBondContact O-CA 3.43Å; F175-S178 VanDerWaalsContact O-CB 3.29Å; F175-S178 WeakPolarHBondContact O-CB 3.48Å; F175-S178 PolarHBondContact O-N 2.88Å; F175-S178 PolarHBondContact O-OG 3.27Å; F175-K180 HydrophobicContact CD2-CB 4.16Å; F175-K180 HydrophobicContact CE2-CB 3.83Å; F175-K180 WeakPolarHBondContact CE2-O 3.45Å; F175-W182 WeakPolarHBondContact CE2-O 3.47Å; F175-F183 HydrophobicContact CB-CB 4.36Å; F175-F183 HydrophobicContact CB-CD2 3.58Å; F175-F183 HydrophobicContact CB-CE2 4.22Å; F175-F183 HydrophobicContact CB-CG 4.29Å; F175-F183 HydrophobicContact CD1-CB 3.7Å; F175-F183 HydrophobicContact CD1-CD2 4.41Å; F175-F183 HydrophobicContact CD1-CG 4.28Å; F175-F183 HydrophobicContact CD2-CB 3.81Å; F175-F183 HydrophobicContact CD2-CD2 4.33Å; F175-F183 HydrophobicContact CE1-CB 3.83Å; F175-F183 HydrophobicContact CE2-CB 3.92Å; F175-F183 HydrophobicContact CG-CB 3.66Å; F175-F183 AromaticContact CG-CD2 3.86Å; F175-F183 HydrophobicContact CG-CD2 3.86Å; F175-F183 HydrophobicContact CG-CG 4.11Å; F175-F183 HydrophobicContact CZ-CB 3.92Å; F175-R250 HydrophobicContact CE1-CB 4.42Å; F175-R250 HydrophobicContact CE1-CG 4.24Å; F175-R250 HydrophobicContact CZ-CB 3.87Å; F175-R250 HydrophobicContact CZ-CG 3.95Å; F175-A253 HydrophobicContact CD1-CB 4.19Å; F175-A253 HydrophobicContact CE1-CB 3.65Å
176	M	98.6	Very high	98.4	Very high	40 Å²	40	25.3 Å²	25.3	20%	0.197	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-37.3	-179.1	-69.1	-57.1	-62.5	0	0	112.2	Y172 D173 S178 R250 A253 E254	Y172-M176 HydrophobicContact CD1-CG 4.03Å; Y172-M176 HydrophobicContact CE1-CG 3.55Å; Y172-M176 HydrophobicContact CE1-SD 4.41Å; Y172-M176 HydrophobicContact CE2-CG 4.33Å; Y172-M176 HydrophobicContact CE2-SD 4.39Å; Y172-M176 WeakPolarHBondContact O-CG 3.44Å; Y172-M176 PolarHBondContact O-N 2.99Å; D173-M176 PolarHBondContact O-N 3.19Å; M176-S178 VanDerWaalsContact C-N 3.28Å; M176-S178 PolarHBondContact O-N 2.88Å; M176-R250 PolarHBondContact O-NH2 3.05Å; M176-A253 HydrophobicContact SD-CB 3.81Å; M176-E254 HydrophobicContact CE-CB 4.42Å; M176-E254 HydrophobicContact CE-CG 3.71Å
177	A	98.4	Very high	98.4	Very high	92 Å²	92	26 Å²	26	76%	0.76	16%	0.155	S	C	*	.	H	α-helix	trans	-70.3	-19.1	173.4	0	0	0	0	0	113.9	D173 F175	D173-A177 WeakPolarHBondContact O-CB 3.34Å; D173-A177 PolarHBondContact O-N 2.96Å; F175-A177 VanDerWaalsContact C-N 3.28Å; F175-A177 PolarHBondContact O-N 3.2Å
178	S	97.9	Very high	98.5	Very high	24 Å²	24	26.1 Å²	26.1	17%	0.168	16%	0.156	C	C	.	.	S	Bend	trans	-79.9	168.6	174.2	87	0	0	0	0	112	G174 F175 M176 K180 R250	G174-S178 PolarHBondContact O-N 3.38Å; F175-S178 WeakPolarHBondContact O-CA 3.43Å; F175-S178 VanDerWaalsContact O-CB 3.29Å; F175-S178 WeakPolarHBondContact O-CB 3.48Å; F175-S178 PolarHBondContact O-N 2.88Å; F175-S178 PolarHBondContact O-OG 3.27Å; M176-S178 VanDerWaalsContact C-N 3.28Å; M176-S178 PolarHBondContact O-N 2.88Å; S178-K180 WeakPolarHBondContact OG-CB 3.33Å; S178-K180 WeakPolarHBondContact OG-CG 3.11Å; S178-K180 PolarHBondContact OG-N 3.34Å; S178-K180 VanDerWaalsContact OG-N 3.14Å; S178-R250 PolarHBondContact O-NH1 3.08Å; S178-R250 PolarHBondContact O-NH2 2.78Å
179	N	95.7	Very high	98.4	Very high	136 Å²	136	26.5 Å²	26.5	73%	0.727	16%	0.158	S	C	*	.			trans	-95.2	13.5	169.4	69.2	-16.7	0	0	0	113.9
180	K	97.8	Very high	98.5	Very high	32 Å²	32	26.2 Å²	26.2	14%	0.139	16%	0.156	C	C	.	.			trans	-71.1	150.3	-177.3	-56.8	-53.8	-174.9	-164	0	111.6	D100 D101 Y103 F175 S178 R250	D100-K180 WeakPolarHBondContact O-CD 3.27Å; D100-K180 VanDerWaalsContact O-CE 3.29Å; D100-K180 WeakPolarHBondContact O-CE 3.22Å; D100-K180 PolarHBondContact O-NZ 3.17Å; D101-K180 CarbonylContact O-C 3.58Å; D101-K180 WeakPolarHBondContact O-CB 3.25Å; Y103-K180 HydrophobicContact CD2-CB 4.49Å; Y103-K180 HydrophobicContact CD2-CG 3.86Å; Y103-K180 HydrophobicContact CG-CG 4.36Å; F175-K180 HydrophobicContact CD2-CB 4.16Å; F175-K180 HydrophobicContact CE2-CB 3.83Å; F175-K180 WeakPolarHBondContact CE2-O 3.45Å; S178-K180 WeakPolarHBondContact OG-CB 3.33Å; S178-K180 WeakPolarHBondContact OG-CG 3.11Å; S178-K180 PolarHBondContact OG-N 3.34Å; S178-K180 VanDerWaalsContact OG-N 3.14Å; K180-R250 WeakPolarHBondContact O-CD 3.41Å; K180-R250 PolarHBondContact O-NH1 3.11Å
181	R	97.9	Very high	98.5	Very high	44 Å²	44	24.5 Å²	24.5	17%	0.166	15%	0.145	C	C	.	.	S	Bend	trans	-91	-23.1	-177.3	-60.6	170.9	71.9	179.1	10.7	112.9	P95 L97 D101 R250	P95-R181 PolarHBondContact O-NH1 3.38Å; L97-R181 HydrophobicContact CD1-CB 4.49Å; D101-R181 HydrophobicContact CB-CB 4.21Å; D101-R181 HydrophobicContact CB-CG 4.15Å; D101-R181 PolarHBondContact O-N 2.97Å; D101-R181 IonicContact OD2-NH1 2.72Å; R181-R250 WeakPolarHBondContact O-CB 3.32Å; R181-R250 PolarHBondContact O-N 3.34Å
182	W	98.8	Very high	98.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.2	179.3	-69.6	89.8	0	0	0	110.6	D101 I102 Y103 F175 L201 F204 Q206 I210 C247 L248	D101-W182 PolarHBondContact O-N 2.98Å; I102-W182 HydrophobicContact CG1-CB 4.41Å; I102-W182 HydrophobicContact CG2-CB 4.37Å; Y103-W182 WeakPolarHBondContact CB-O 3.35Å; Y103-W182 PolarHBondContact N-O 3Å; F175-W182 WeakPolarHBondContact CE2-O 3.47Å; W182-L201 HydrophobicContact CB-CD1 3.94Å; W182-L201 HydrophobicContact CD2-CB 4.36Å; W182-L201 HydrophobicContact CD2-CD1 3.97Å; W182-L201 HydrophobicContact CD2-CD2 4.07Å; W182-L201 HydrophobicContact CD2-CG 4.36Å; W182-L201 HydrophobicContact CE3-CD1 4.24Å; W182-L201 HydrophobicContact CE3-CD2 3.72Å; W182-L201 HydrophobicContact CE3-CG 4.47Å; W182-L201 HydrophobicContact CG-CD1 3.84Å; W182-L201 HydrophobicContact CH2-CD2 4.2Å; W182-L201 HydrophobicContact CZ3-CD2 3.8Å; W182-F204 HydrophobicContact CH2-CB 3.87Å; W182-F204 AromaticContact CH2-CD2 3.77Å; W182-F204 HydrophobicContact CH2-CD2 3.77Å; W182-F204 HydrophobicContact CH2-CG 4.11Å; W182-F204 HydrophobicContact CZ2-CB 4.02Å; W182-F204 HydrophobicContact CZ2-CD2 4.37Å; W182-F204 HydrophobicContact CZ3-CD2 4.48Å; W182-Q206 VanDerWaalsContact NE1-OE1 3.1Å; W182-I210 HydrophobicContact CH2-CB 3.69Å; W182-I210 HydrophobicContact CH2-CG1 3.93Å; W182-I210 HydrophobicContact CH2-CG2 3.82Å; W182-I210 HydrophobicContact CZ3-CB 3.84Å; W182-I210 HydrophobicContact CZ3-CG2 3.88Å; W182-C247 HydrophobicContact CE3-CB 4.49Å; W182-L248 WeakPolarHBondContact CA-O 3.36Å
183	F	98.9	Very high	98.5	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.1	165	173.5	-110.5	0	0	0	108.5	Y103 A105 M168 E171 F175 H185 F246 C247 L248	Y103-F183 AromaticContact CD1-CD2 3.97Å; Y103-F183 HydrophobicContact CD1-CD2 3.97Å; Y103-F183 HydrophobicContact CD1-CE2 4.32Å; A105-F183 HydrophobicContact CB-CE2 3.66Å; A105-F183 HydrophobicContact CB-CZ 4.18Å; M168-F183 HydrophobicContact SD-CZ 4.39Å; E171-F183 HydrophobicContact CB-CE2 4.22Å; E171-F183 HydrophobicContact CB-CZ 4.1Å; F175-F183 HydrophobicContact CB-CB 4.36Å; F175-F183 HydrophobicContact CB-CD2 3.58Å; F175-F183 HydrophobicContact CB-CE2 4.22Å; F175-F183 HydrophobicContact CB-CG 4.29Å; F175-F183 HydrophobicContact CD1-CB 3.7Å; F175-F183 HydrophobicContact CD1-CD2 4.41Å; F175-F183 HydrophobicContact CD1-CG 4.28Å; F175-F183 HydrophobicContact CD2-CB 3.81Å; F175-F183 HydrophobicContact CD2-CD2 4.33Å; F175-F183 HydrophobicContact CE1-CB 3.83Å; F175-F183 HydrophobicContact CE2-CB 3.92Å; F175-F183 HydrophobicContact CG-CB 3.66Å; F175-F183 AromaticContact CG-CD2 3.86Å; F175-F183 HydrophobicContact CG-CD2 3.86Å; F175-F183 HydrophobicContact CG-CG 4.11Å; F175-F183 HydrophobicContact CZ-CB 3.92Å; F183-H185 HydrophobicContact CE1-CB 3.91Å; F183-H185 HydrophobicContact CZ-CB 4Å; F183-F246 HydrophobicContact CD1-CE2 4.33Å; F183-F246 AromaticContact CE1-CE2 3.9Å; F183-F246 HydrophobicContact CE1-CE2 3.9Å; F183-F246 HydrophobicContact CE1-CZ 4.35Å; F183-C247 CarbonylContact O-C 3.46Å; F183-C247 WeakPolarHBondContact O-CA 3.31Å; F183-C247 VanDerWaalsContact O-CB 3.3Å; F183-C247 WeakPolarHBondContact O-CB 3.49Å; F183-L248 HydrophobicContact CB-CB 4.35Å; F183-L248 HydrophobicContact CD1-CB 4.36Å; F183-L248 HydrophobicContact CD1-CD1 3.94Å; F183-L248 HydrophobicContact CD1-CG 4.33Å; F183-L248 HydrophobicContact CE1-CD1 4.44Å; F183-L248 PolarHBondContact N-O 3.4Å; F183-L248 PolarHBondContact O-N 2.87Å
184	C	98.9	Very high	98.4	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.3	170.4	-66.5	0	0	0	0	109.5	I102 Y103 V104 A105 F246 C247	I102-C184 HydrophobicContact CG2-CB 4.49Å; Y103-C184 PolarHBondContact O-N 3.45Å; V104-C184 CarbonylContact C-O 3.47Å; V104-C184 WeakPolarHBondContact CA-O 3.37Å; A105-C184 PolarHBondContact N-O 3.01Å; C184-F246 CarbonylContact C-O 3.56Å; C184-F246 VanDerWaalsContact CA-O 3.25Å; C184-F246 WeakPolarHBondContact CA-O 3.42Å; C184-C247 HydrophobicContact CB-CB 4.15Å; C184-C247 WeakPolarHBondContact CB-SG 3.44Å; C184-C247 WeakPolarHBondContact SG-CB 3.48Å; C184-C247 CovalentContact SG-SG 2.05Å; C184-C247 PolarHBondContact SG-SG 3Å
185	H	98.9	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.2	174.7	169.8	63.1	0	0	0	110.2	K107 M168 E171 F183 D187 G245 F246	K107-H185 WeakPolarHBondContact CE-CE1 3.5Å; K107-H185 PolarHBondContact NZ-CE1 2.57Å; K107-H185 PolarHBondContact NZ-NE2 3.31Å; M168-H185 HydrophobicContact CE-CB 4.43Å; E171-H185 IonicContact OE2-CE1 2.65Å; E171-H185 IonicContact OE2-CG 2.85Å; E171-H185 IonicContact OE2-ND1 3.92Å; E171-H185 PolarHBondContact OE2-ND1 2.89Å; F183-H185 HydrophobicContact CE1-CB 3.91Å; F183-H185 HydrophobicContact CZ-CB 4Å; H185-D187 IonicContact CE1-OD1 3.51Å; H185-D187 IonicContact NE2-OD1 2.89Å; H185-D187 PolarHBondContact NE2-OD1 3.09Å; H185-G245 WeakPolarHBondContact O-CA 3.28Å; H185-F246 HydrophobicContact CB-CD1 4.21Å; H185-F246 HydrophobicContact CB-CD2 4.35Å; H185-F246 HydrophobicContact CB-CE1 3.74Å; H185-F246 HydrophobicContact CB-CE2 3.89Å; H185-F246 HydrophobicContact CB-CG 4.49Å; H185-F246 HydrophobicContact CB-CZ 3.54Å; H185-F246 AromaticContact CD2-CD1 3.94Å; H185-F246 AromaticContact CD2-CE1 3.4Å; H185-F246 WeakPolarHBondContact CD2-CE1 3.38Å; H185-F246 AromaticContact CG-CE1 3.8Å; H185-F246 AromaticContact CG-CZ 3.94Å; H185-F246 PolarHBondContact N-O 2.99Å; H185-F246 PolarHBondContact O-N 2.87Å; H185-F246 VanDerWaalsContact O-N 3.14Å
186	V	98.9	Very high	98.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.1	165.9	-66.8	0	0	0	0	111.2	V104 A105 V106 K107 W124 N190 V192 T318	V104-V186 HydrophobicContact CG1-CG2 4.17Å; A105-V186 PolarHBondContact O-N 2.97Å; V106-V186 WeakPolarHBondContact CA-O 3.36Å; V106-V186 HydrophobicContact CB-CG2 4.5Å; V106-V186 HydrophobicContact CG2-CG2 3.88Å; K107-V186 PolarHBondContact N-O 3.14Å; W124-V186 HydrophobicContact CH2-CG2 4.16Å; W124-V186 HydrophobicContact CZ2-CG2 4.14Å; V186-N190 HydrophobicContact CB-CB 3.94Å; V186-N190 HydrophobicContact CG1-CB 4.27Å; V186-V192 HydrophobicContact CG1-CG2 3.83Å; V186-V192 HydrophobicContact CG2-CG2 4.19Å; V186-T318 HydrophobicContact CG1-CG2 4.18Å
187	D	98.7	Very high	98.4	Very high	38 Å²	38	25.3 Å²	25.3	20%	0.203	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	165.4	171.7	-72	-39	0	0	0	111.2	K107 H185 D189 N190 G243	K107-D187 IonicContact NZ-OD1 2.67Å; K107-D187 PolarHBondContact NZ-OD1 2.86Å; K107-D187 VanDerWaalsContact NZ-OD1 3.09Å; H185-D187 IonicContact CE1-OD1 3.51Å; H185-D187 IonicContact NE2-OD1 2.89Å; H185-D187 PolarHBondContact NE2-OD1 3.09Å; D187-D189 PolarHBondContact O-N 3.31Å; D187-D189 VanDerWaalsContact O-N 3.09Å; D187-N190 PolarHBondContact N-OD1 2.92Å; D187-N190 WeakPolarHBondContact O-CB 3.2Å; D187-N190 PolarHBondContact O-N 3.11Å; D187-G243 WeakPolarHBondContact OD2-CA 3.24Å; D187-G243 PolarHBondContact OD2-N 3.28Å
188	D	98.6	Very high	98.4	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.043	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-0.9	-176.1	67.7	12.7	0	0	0	116.2	V106 K107 T108 F112 R116	V106-D188 HydrophobicContact CG1-CB 4.45Å; K107-D188 WeakPolarHBondContact O-CB 3.39Å; K107-D188 PolarHBondContact O-N 3.47Å; K107-D188 VanDerWaalsContact O-N 3.09Å; T108-D188 WeakPolarHBondContact CA-OD2 3.48Å; T108-D188 VanDerWaalsContact CB-OD2 3.3Å; T108-D188 WeakPolarHBondContact CB-OD2 3.29Å; T108-D188 PolarHBondContact OG1-OD2 2.93Å; F112-D188 WeakPolarHBondContact CB-OD2 3.37Å; F112-D188 VanDerWaalsContact CD2-OD2 3.27Å; F112-D188 WeakPolarHBondContact CD2-OD2 3.28Å; R116-D188 HydrophobicContact CB-CB 4.31Å; R116-D188 WeakPolarHBondContact CB-O 3.43Å; R116-D188 WeakPolarHBondContact CD-OD1 3.48Å; R116-D188 IonicContact CZ-OD1 2.72Å; R116-D188 IonicContact NE-OD1 2.88Å; R116-D188 IonicContact NH1-OD1 2.77Å; R116-D188 PolarHBondContact NH1-OD1 2.93Å
189	D	98.6	Very high	98.4	Very high	10 Å²	10	25 Å²	25	5%	0.053	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	17.6	167.7	63.2	44.1	0	0	0	114.3	R116 D187 H301 S320 Y321 F346	R116-D189 IonicContact CZ-OD2 3.07Å; R116-D189 IonicContact NH1-OD2 3.55Å; R116-D189 PolarHBondContact NH1-OD2 2.9Å; R116-D189 IonicContact NH2-OD2 3.51Å; R116-D189 PolarHBondContact NH2-OD2 2.88Å; D187-D189 PolarHBondContact O-N 3.31Å; D187-D189 VanDerWaalsContact O-N 3.09Å; D189-H301 IonicContact OD1-CE1 3.54Å; D189-H301 IonicContact OD1-ND1 2.57Å; D189-H301 PolarHBondContact OD1-ND1 3.2Å; D189-H301 IonicContact OD2-CE1 3.09Å; D189-H301 IonicContact OD2-ND1 3.79Å; D189-S320 VanDerWaalsContact O-CA 3.28Å; D189-S320 WeakPolarHBondContact O-CA 3.25Å; D189-S320 PolarHBondContact O-OG 3.4Å; D189-S320 PolarHBondContact OD1-OG 2.99Å; D189-Y321 HydrophobicContact CB-CD1 4.01Å; D189-Y321 HydrophobicContact CB-CE1 3.73Å; D189-Y321 WeakPolarHBondContact CB-O 2.95Å; D189-Y321 WeakPolarHBondContact O-CD1 3.42Å; D189-Y321 PolarHBondContact O-N 3.07Å; D189-F346 VanDerWaalsContact O-CZ 3.29Å; D189-F346 WeakPolarHBondContact O-CZ 3.46Å
190	N	98.9	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145.8	170.8	-67.8	126	0	0	0	114.1	L120 W124 V186 D187 G243 L319 S320 F346	L120-N190 WeakPolarHBondContact CD2-O 3.18Å; W124-N190 PolarHBondContact NE1-O 3.4Å; V186-N190 HydrophobicContact CB-CB 3.94Å; V186-N190 HydrophobicContact CG1-CB 4.27Å; D187-N190 PolarHBondContact N-OD1 2.92Å; D187-N190 WeakPolarHBondContact O-CB 3.2Å; D187-N190 PolarHBondContact O-N 3.11Å; N190-G243 PolarHBondContact ND2-O 2.66Å; N190-L319 CarbonylContact C-O 3.6Å; N190-L319 WeakPolarHBondContact CA-O 3.49Å; N190-L319 PolarHBondContact ND2-O 2.89Å; N190-S320 WeakPolarHBondContact ND2-CB 3.49Å; N190-F346 VanDerWaalsContact C-CE2 3.4Å
191	Y	98.9	Very high	98.6	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.7	164.6	-172.6	-80.5	0	0	0	108.7	W124 T318 L319 F346 V349 H350 L353	W124-Y191 HydrophobicContact CB-CD2 4.27Å; W124-Y191 HydrophobicContact CB-CE1 4.16Å; W124-Y191 HydrophobicContact CB-CE2 3.93Å; W124-Y191 AromaticContact CD1-CD2 3.77Å; W124-Y191 AromaticContact CD1-CG 3.98Å; W124-Y191 HydrophobicContact CG-CD2 4.39Å; Y191-T318 CarbonylContact O-C 3.58Å; Y191-T318 WeakPolarHBondContact O-CA 3.49Å; Y191-L319 PolarHBondContact N-O 2.92Å; Y191-L319 PolarHBondContact O-N 2.91Å; Y191-F346 HydrophobicContact CD2-CB 3.86Å; Y191-F346 HydrophobicContact CD2-CD1 4.26Å; Y191-F346 HydrophobicContact CD2-CD2 4.04Å; Y191-F346 AromaticContact CD2-CG 3.81Å; Y191-F346 HydrophobicContact CD2-CG 3.81Å; Y191-F346 HydrophobicContact CE2-CB 4.48Å; Y191-F346 HydrophobicContact CG-CD1 4.44Å; Y191-F346 HydrophobicContact CG-CG 4.36Å; Y191-V349 HydrophobicContact CD1-CG1 4.09Å; Y191-V349 HydrophobicContact CE1-CG1 3.86Å; Y191-V349 HydrophobicContact CE2-CG1 4.33Å; Y191-V349 HydrophobicContact CG-CG1 4.46Å; Y191-H350 HydrophobicContact CE2-CB 4.04Å; Y191-H350 WeakPolarHBondContact OH-CA 3.46Å; Y191-H350 PolarHBondContact OH-ND1 3.41Å; Y191-H350 VanDerWaalsContact OH-ND1 3.1Å; Y191-L353 HydrophobicContact CE1-CD1 3.83Å
192	V	98.9	Very high	98.6	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.9	173.8	-178	0	0	0	0	109.8	W124 V186 P194 L197	W124-V192 VanDerWaalsContact CB-O 3.26Å; W124-V192 WeakPolarHBondContact CB-O 3.17Å; W124-V192 HydrophobicContact CD2-CB 3.83Å; W124-V192 HydrophobicContact CD2-CG2 4.16Å; W124-V192 HydrophobicContact CE3-CB 3.72Å; W124-V192 HydrophobicContact CE3-CG2 4.12Å; W124-V192 HydrophobicContact CG-CB 4.39Å; W124-V192 HydrophobicContact CH2-CB 4.27Å; W124-V192 HydrophobicContact CH2-CG2 3.74Å; W124-V192 HydrophobicContact CZ2-CB 4.37Å; W124-V192 HydrophobicContact CZ2-CG2 3.77Å; W124-V192 HydrophobicContact CZ3-CB 3.94Å; W124-V192 HydrophobicContact CZ3-CG2 3.92Å; V186-V192 HydrophobicContact CG1-CG2 3.83Å; V186-V192 HydrophobicContact CG2-CG2 4.19Å; V192-P194 WeakPolarHBondContact O-CD 3.19Å; V192-L197 HydrophobicContact CG1-CD2 3.98Å
193	N	98.8	Very high	98.5	Very high	8 Å²	8	23 Å²	23	4%	0.043	13%	0.134	C	C	.	.			trans	-93.9	104.7	165.6	173.3	9.3	0	0	0	108.6	E195 G196 L197 P314 Q316 V317 L353	N193-E195 VanDerWaalsContact C-N 3.35Å; N193-E195 PolarHBondContact O-N 2.67Å; N193-E195 PolarHBondContact OD1-N 3.07Å; N193-G196 PolarHBondContact O-N 3.44Å; N193-G196 PolarHBondContact OD1-N 3.23Å; N193-L197 WeakPolarHBondContact O-CB 3.4Å; N193-L197 PolarHBondContact O-N 3.44Å; N193-P314 PolarHBondContact ND2-O 2.97Å; N193-Q316 WeakPolarHBondContact CB-O 3.25Å; N193-Q316 PolarHBondContact ND2-O 3.33Å; N193-V317 PolarHBondContact N-O 3.5Å; N193-L353 HydrophobicContact CB-CD1 4.4Å
194	P	97.8	Very high	98.4	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.013	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-36.6	-173.3	-20.2	34	0	0	0	112.9	L99 R127 T128 V192 L197 L198 Y354	L99-P194 HydrophobicContact CD1-CB 4.24Å; L99-P194 HydrophobicContact CD2-CB 3.75Å; L99-P194 WeakPolarHBondContact CD2-O 3.4Å; R127-P194 HydrophobicContact CB-CG 4.39Å; T128-P194 HydrophobicContact CG2-CB 3.66Å; T128-P194 HydrophobicContact CG2-CG 3.26Å; V192-P194 WeakPolarHBondContact O-CD 3.19Å; P194-L197 PolarHBondContact O-N 2.83Å; P194-L198 WeakPolarHBondContact O-CB 3.5Å; P194-L198 PolarHBondContact O-N 3.12Å; P194-Y354 WeakPolarHBondContact CD-OH 3.18Å
195	E	97.5	Very high	98.3	Very high	108 Å²	108	28.5 Å²	28.5	51%	0.505	17%	0.167	S	C	.	.	H	α-helix	trans	-70.3	-41.1	178.1	-61.1	-56.8	144.8	0	0	111.2	N193 S199	N193-E195 VanDerWaalsContact C-N 3.35Å; N193-E195 PolarHBondContact O-N 2.67Å; N193-E195 PolarHBondContact OD1-N 3.07Å; E195-S199 WeakPolarHBondContact O-CB 3.42Å; E195-S199 PolarHBondContact O-N 3.35Å
196	G	98.3	Very high	97.9	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-45	172.2	0	0	0	0	0	111.9	N193 S199 L200	N193-G196 PolarHBondContact O-N 3.44Å; N193-G196 PolarHBondContact OD1-N 3.23Å; G196-S199 PolarHBondContact O-N 2.89Å; G196-L200 PolarHBondContact O-N 2.89Å
197	L	98.8	Very high	97.5	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-51.4	176.5	-178.7	60.3	0	0	0	112	I102 V104 V192 N193 P194 S199 L200 L201 V317	I102-L197 HydrophobicContact CD1-CG 4.36Å; I102-L197 HydrophobicContact CG2-CD2 4.07Å; V104-L197 HydrophobicContact CG2-CD2 4.36Å; V192-L197 HydrophobicContact CG1-CD2 3.98Å; N193-L197 WeakPolarHBondContact O-CB 3.4Å; N193-L197 PolarHBondContact O-N 3.44Å; P194-L197 PolarHBondContact O-N 2.83Å; L197-S199 VanDerWaalsContact C-N 3.32Å; L197-S199 PolarHBondContact O-N 2.58Å; L197-L200 PolarHBondContact O-N 3.46Å; L197-L201 HydrophobicContact CD1-CD1 3.86Å; L197-L201 HydrophobicContact CD1-CG 4.02Å; L197-L201 HydrophobicContact CG-CD1 4.13Å; L197-L201 WeakPolarHBondContact O-CG 3.32Å; L197-L201 PolarHBondContact O-N 3.38Å; L197-V317 HydrophobicContact CB-CG1 3.97Å; L197-V317 HydrophobicContact CD1-CG1 3.55Å; L197-V317 HydrophobicContact CG-CG1 4.34Å
198	L	98.3	Very high	97.4	Very high	29 Å²	29	34.2 Å²	34.2	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-42.7	178.5	-179.6	62.5	0	0	0	111.6	L97 L99 I102 P194 L201 S202	L97-L198 HydrophobicContact CB-CD1 4.28Å; L97-L198 HydrophobicContact CD2-CD1 3.96Å; L97-L198 HydrophobicContact CG-CD1 3.8Å; L99-L198 HydrophobicContact CD2-CB 3.91Å; L99-L198 HydrophobicContact CD2-CD2 4.32Å; L99-L198 HydrophobicContact CG-CD2 4.17Å; I102-L198 HydrophobicContact CD1-CB 4.48Å; I102-L198 HydrophobicContact CD1-CD1 4.08Å; P194-L198 WeakPolarHBondContact O-CB 3.5Å; P194-L198 PolarHBondContact O-N 3.12Å; L198-L201 PolarHBondContact O-N 3.18Å; L198-S202 VanDerWaalsContact O-CB 3.25Å; L198-S202 WeakPolarHBondContact O-CB 3.41Å; L198-S202 PolarHBondContact O-N 3.08Å; L198-S202 PolarHBondContact O-OG 2.85Å
199	S	98.3	Very high	97.4	Very high	81 Å²	81	35.9 Å²	35.9	57%	0.566	21%	0.205	S	C	*	.	H	α-helix	trans	-58.8	-50.1	177.1	-174.4	0	0	0	0	111	E195 G196 L197 S202 T203	E195-S199 WeakPolarHBondContact O-CB 3.42Å; E195-S199 PolarHBondContact O-N 3.35Å; G196-S199 PolarHBondContact O-N 2.89Å; L197-S199 VanDerWaalsContact C-N 3.32Å; L197-S199 PolarHBondContact O-N 2.58Å; S199-S202 PolarHBondContact O-N 3.44Å; S199-T203 WeakPolarHBondContact O-CG2 3.48Å
200	L	98.7	Very high	97.4	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-54.1	176.3	175.2	64.6	0	0	0	111.8	G196 L197 S202 T203 F204 V212 F298 V317	G196-L200 PolarHBondContact O-N 2.89Å; L197-L200 PolarHBondContact O-N 3.46Å; L200-S202 PolarHBondContact O-N 2.91Å; L200-T203 WeakPolarHBondContact O-CB 3.26Å; L200-T203 PolarHBondContact O-N 2.88Å; L200-T203 PolarHBondContact O-OG1 3.49Å; L200-F204 HydrophobicContact CD1-CE2 4.1Å; L200-F204 HydrophobicContact CD1-CZ 4.27Å; L200-F204 HydrophobicContact CG-CE2 4.11Å; L200-V212 HydrophobicContact CD2-CG2 4.33Å; L200-F298 HydrophobicContact CD2-CE2 3.5Å; L200-F298 VanDerWaalsContact CD2-CE2 3.5Å; L200-F298 HydrophobicContact CD2-CZ 3.98Å; L200-V317 HydrophobicContact CB-CG2 4.09Å; L200-V317 HydrophobicContact CD2-CG2 3.87Å
201	L	98.6	Very high	97.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-25.4	-174.7	-63.7	-175.1	0	0	0	112.8	L97 I102 W182 L197 L198 T203 F204 Q206 V212 C247	L97-L201 HydrophobicContact CD2-CB 3.6Å; I102-L201 HydrophobicContact CD1-CD1 3.95Å; I102-L201 HydrophobicContact CG1-CD1 4.11Å; I102-L201 HydrophobicContact CG2-CD1 4.26Å; W182-L201 HydrophobicContact CB-CD1 3.94Å; W182-L201 HydrophobicContact CD2-CB 4.36Å; W182-L201 HydrophobicContact CD2-CD1 3.97Å; W182-L201 HydrophobicContact CD2-CD2 4.07Å; W182-L201 HydrophobicContact CD2-CG 4.36Å; W182-L201 HydrophobicContact CE3-CD1 4.24Å; W182-L201 HydrophobicContact CE3-CD2 3.72Å; W182-L201 HydrophobicContact CE3-CG 4.47Å; W182-L201 HydrophobicContact CG-CD1 3.84Å; W182-L201 HydrophobicContact CH2-CD2 4.2Å; W182-L201 HydrophobicContact CZ3-CD2 3.8Å; L197-L201 HydrophobicContact CD1-CD1 3.86Å; L197-L201 HydrophobicContact CD1-CG 4.02Å; L197-L201 HydrophobicContact CG-CD1 4.13Å; L197-L201 WeakPolarHBondContact O-CG 3.32Å; L197-L201 PolarHBondContact O-N 3.38Å; L198-L201 PolarHBondContact O-N 3.18Å; L201-T203 PolarHBondContact O-N 2.96Å; L201-F204 HydrophobicContact CD2-CD2 4.33Å; L201-F204 HydrophobicContact CD2-CE2 4.38Å; L201-F204 PolarHBondContact O-N 2.95Å; L201-Q206 PolarHBondContact O-NE2 3.38Å; L201-V212 HydrophobicContact CD2-CG1 4.18Å; L201-C247 HydrophobicContact CD2-CB 4.1Å
202	S	97.9	Very high	97.4	Very high	48 Å²	48	36.3 Å²	36.3	34%	0.336	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.7	172.8	-61.6	0	0	0	0	113.8	L198 S199 L200	L198-S202 VanDerWaalsContact O-CB 3.25Å; L198-S202 WeakPolarHBondContact O-CB 3.41Å; L198-S202 PolarHBondContact O-N 3.08Å; L198-S202 PolarHBondContact O-OG 2.85Å; S199-S202 PolarHBondContact O-N 3.44Å; L200-S202 PolarHBondContact O-N 2.91Å
203	T	97.5	Very high	97.4	Very high	100 Å²	100	36.1 Å²	36.1	61%	0.613	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-21	177.1	68.6	0	0	0	0	113.6	S199 L200 L201	S199-T203 WeakPolarHBondContact O-CG2 3.48Å; L200-T203 WeakPolarHBondContact O-CB 3.26Å; L200-T203 PolarHBondContact O-N 2.88Å; L200-T203 PolarHBondContact O-OG1 3.49Å; L201-T203 PolarHBondContact O-N 2.96Å
204	F	97.9	Very high	97.4	Very high	33 Å²	33	37.6 Å²	37.6	15%	0.145	21%	0.212	C	C	.	.	S	Bend	trans	-83.7	152.8	-177	-65.9	-61.4	0	0	0	112.7	W182 L200 L201 Q206 I210 V212 V293	W182-F204 HydrophobicContact CH2-CB 3.87Å; W182-F204 AromaticContact CH2-CD2 3.77Å; W182-F204 HydrophobicContact CH2-CD2 3.77Å; W182-F204 HydrophobicContact CH2-CG 4.11Å; W182-F204 HydrophobicContact CZ2-CB 4.02Å; W182-F204 HydrophobicContact CZ2-CD2 4.37Å; W182-F204 HydrophobicContact CZ3-CD2 4.48Å; L200-F204 HydrophobicContact CD1-CE2 4.1Å; L200-F204 HydrophobicContact CD1-CZ 4.27Å; L200-F204 HydrophobicContact CG-CE2 4.11Å; L201-F204 HydrophobicContact CD2-CD2 4.33Å; L201-F204 HydrophobicContact CD2-CE2 4.38Å; L201-F204 PolarHBondContact O-N 2.95Å; F204-Q206 PolarHBondContact O-N 3.41Å; F204-Q206 PolarHBondContact O-NE2 3.48Å; F204-I210 HydrophobicContact CB-CD1 4.47Å; F204-I210 HydrophobicContact CB-CG1 4.15Å; F204-I210 HydrophobicContact CD1-CD1 4.15Å; F204-I210 HydrophobicContact CD1-CG1 4.46Å; F204-I210 HydrophobicContact CD1-CG2 4.08Å; F204-I210 HydrophobicContact CD2-CG2 4.04Å; F204-I210 HydrophobicContact CE1-CG2 4.23Å; F204-I210 HydrophobicContact CE2-CG2 4.18Å; F204-I210 HydrophobicContact CG-CD1 4.47Å; F204-I210 HydrophobicContact CG-CG1 4.31Å; F204-I210 HydrophobicContact CG-CG2 4Å; F204-I210 HydrophobicContact CZ-CG2 4.29Å; F204-V212 HydrophobicContact CE2-CB 4.22Å; F204-V212 HydrophobicContact CE2-CG1 4.07Å; F204-V212 HydrophobicContact CE2-CG2 4.13Å; F204-V212 HydrophobicContact CZ-CB 4.19Å; F204-V212 HydrophobicContact CZ-CG2 3.89Å; F204-V293 HydrophobicContact CE1-CG1 4Å; F204-V293 HydrophobicContact CE1-CG2 4.27Å; F204-V293 HydrophobicContact CZ-CG1 3.98Å
205	P	95.6	Very high	97.4	Very high	90 Å²	90	38.9 Å²	38.9	58%	0.584	22%	0.22	S	C	*	.			trans	-58.4	120.2	164.9	-19.7	32.3	0	0	0	109.7	E207 G208	P205-E207 PolarHBondContact O-N 3.02Å; P205-G208 WeakPolarHBondContact O-CA 3.32Å; P205-G208 PolarHBondContact O-N 3.06Å
206	Q	91.1	Very high	97.2	Very high	47 Å²	47	35.9 Å²	35.9	22%	0.22	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.3	-172.4	-59.1	-61.3	-59.9	0	0	113.9	W182 L201 F204	W182-Q206 VanDerWaalsContact NE1-OE1 3.1Å; L201-Q206 PolarHBondContact O-NE2 3.38Å; F204-Q206 PolarHBondContact O-N 3.41Å; F204-Q206 PolarHBondContact O-NE2 3.48Å
207	E	90.2	Very high	97.1	Very high	101 Å²	101	39.2 Å²	39.2	47%	0.472	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	9.9	171	-50.4	-56.5	147.2	0	0	112.2	Q94 P205 R251	Q94-E207 PolarHBondContact NE2-OE1 2.86Å; P205-E207 PolarHBondContact O-N 3.02Å; E207-R251 WeakPolarHBondContact O-CD 3.43Å; E207-R251 PolarHBondContact O-NH1 3.23Å
208	G	96.3	Very high	96.9	Very high	13 Å²	13	44.9 Å²	44.9	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	-77.2	159.4	-179.4	0	0	0	0	0	112.9	P205 S249	P205-G208 WeakPolarHBondContact O-CA 3.32Å; P205-G208 PolarHBondContact O-N 3.06Å; G208-S249 WeakPolarHBondContact O-CB 2.98Å; G208-S249 PolarHBondContact O-OG 3.27Å; G208-S249 VanDerWaalsContact O-OG 3.06Å
209	D	98.6	Very high	96.8	Very high	44 Å²	44	46.9 Å²	46.9	24%	0.235	27%	0.266	C	S	.	.			trans	-91.2	94.8	166.8	-57.3	-59.1	0	0	0	108.2	R251 L252 K255 V290	D209-R251 IonicContact OD1-NE 3.02Å; D209-L252 HydrophobicContact CB-CB 4.26Å; D209-L252 HydrophobicContact CB-CD1 4.37Å; D209-K255 WeakPolarHBondContact OD1-CE 3.39Å; D209-K255 IonicContact OD1-NZ 3.95Å; D209-K255 PolarHBondContact OD1-NZ 3.33Å; D209-K255 IonicContact OD2-NZ 3.74Å; D209-K255 PolarHBondContact OD2-NZ 3.47Å; D209-V290 HydrophobicContact CB-CG1 4.23Å; D209-V290 HydrophobicContact CB-CG2 4.19Å
210	I	98.9	Very high	96.8	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.108	25%	0.246	C	C	.	.			trans	-118.8	125.2	-170.6	-50.7	-63.7	0	0	0	110.8	W182 F204 V212 L248 S249 L252 V293	W182-I210 HydrophobicContact CH2-CB 3.69Å; W182-I210 HydrophobicContact CH2-CG1 3.93Å; W182-I210 HydrophobicContact CH2-CG2 3.82Å; W182-I210 HydrophobicContact CZ3-CB 3.84Å; W182-I210 HydrophobicContact CZ3-CG2 3.88Å; F204-I210 HydrophobicContact CB-CD1 4.47Å; F204-I210 HydrophobicContact CB-CG1 4.15Å; F204-I210 HydrophobicContact CD1-CD1 4.15Å; F204-I210 HydrophobicContact CD1-CG1 4.46Å; F204-I210 HydrophobicContact CD1-CG2 4.08Å; F204-I210 HydrophobicContact CD2-CG2 4.04Å; F204-I210 HydrophobicContact CE1-CG2 4.23Å; F204-I210 HydrophobicContact CE2-CG2 4.18Å; F204-I210 HydrophobicContact CG-CD1 4.47Å; F204-I210 HydrophobicContact CG-CG1 4.31Å; F204-I210 HydrophobicContact CG-CG2 4Å; F204-I210 HydrophobicContact CZ-CG2 4.29Å; I210-V212 HydrophobicContact CG2-CB 4.33Å; I210-V212 HydrophobicContact CG2-CG1 4.45Å; I210-L248 CarbonylContact O-C 3.52Å; I210-L248 WeakPolarHBondContact O-CA 3.42Å; I210-S249 PolarHBondContact N-OG 3.4Å; I210-S249 PolarHBondContact O-N 3.21Å; I210-S249 PolarHBondContact O-OG 3.23Å; I210-L252 WeakPolarHBondContact O-CD2 3.44Å; I210-V293 HydrophobicContact CG2-CG2 4.38Å
211	Y	98.9	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.9	163.1	173.9	-145.9	0	0	0	107.9	A240 F246 C247 L248 V280 V284 M292 V293	Y211-A240 HydrophobicContact CE2-CB 3.89Å; Y211-A240 WeakPolarHBondContact OH-CB 3.09Å; Y211-A240 PolarHBondContact OH-N 2.99Å; Y211-F246 HydrophobicContact CD2-CD2 4.34Å; Y211-F246 HydrophobicContact CE2-CB 3.98Å; Y211-F246 AromaticContact CE2-CD2 3.74Å; Y211-F246 HydrophobicContact CE2-CD2 3.74Å; Y211-F246 HydrophobicContact CE2-CE2 4.44Å; Y211-F246 AromaticContact CE2-CG 3.93Å; Y211-F246 HydrophobicContact CE2-CG 3.93Å; Y211-C247 WeakPolarHBondContact CA-O 3.4Å; Y211-L248 HydrophobicContact CD2-CD2 3.41Å; Y211-L248 VanDerWaalsContact CD2-CD2 3.41Å; Y211-L248 HydrophobicContact CD2-CG 4.3Å; Y211-L248 HydrophobicContact CE2-CD2 4.19Å; Y211-L248 HydrophobicContact CG-CD2 3.8Å; Y211-V280 HydrophobicContact CE1-CG1 4.5Å; Y211-V280 HydrophobicContact CE2-CG1 3.82Å; Y211-V284 HydrophobicContact CD1-CB 4.01Å; Y211-V284 HydrophobicContact CD1-CG1 3.72Å; Y211-V284 HydrophobicContact CD1-CG2 4.26Å; Y211-V284 HydrophobicContact CG-CG1 4.13Å; Y211-V284 HydrophobicContact CG-CG2 4.42Å; Y211-M292 HydrophobicContact CD1-CB 3.77Å; Y211-M292 HydrophobicContact CD1-CG 3.7Å; Y211-M292 HydrophobicContact CD1-SD 4.44Å; Y211-M292 HydrophobicContact CE1-CB 4.15Å; Y211-M292 HydrophobicContact CE1-CG 3.88Å; Y211-M292 HydrophobicContact CE1-SD 4.01Å; Y211-M292 HydrophobicContact CG-CG 4.3Å; Y211-V293 WeakPolarHBondContact O-CB 3.04Å; Y211-V293 PolarHBondContact O-N 2.83Å
212	V	98.9	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.5	-174.2	62.7	0	0	0	0	111.3	L200 L201 F204 I210 F246 C247 V293 C295 F298	L200-V212 HydrophobicContact CD2-CG2 4.33Å; L201-V212 HydrophobicContact CD2-CG1 4.18Å; F204-V212 HydrophobicContact CE2-CB 4.22Å; F204-V212 HydrophobicContact CE2-CG1 4.07Å; F204-V212 HydrophobicContact CE2-CG2 4.13Å; F204-V212 HydrophobicContact CZ-CB 4.19Å; F204-V212 HydrophobicContact CZ-CG2 3.89Å; I210-V212 HydrophobicContact CG2-CB 4.33Å; I210-V212 HydrophobicContact CG2-CG1 4.45Å; V212-F246 CarbonylContact O-C 3.54Å; V212-F246 WeakPolarHBondContact O-CA 3.49Å; V212-F246 WeakPolarHBondContact O-CB 3.4Å; V212-C247 HydrophobicContact CG1-CB 3.87Å; V212-C247 PolarHBondContact N-O 3.43Å; V212-C247 PolarHBondContact O-N 3.39Å; V212-V293 WeakPolarHBondContact CA-O 3.36Å; V212-V293 HydrophobicContact CB-CB 4.09Å; V212-V293 HydrophobicContact CG2-CB 4.06Å; V212-V293 HydrophobicContact CG2-CG1 4.07Å; V212-C295 HydrophobicContact CG2-CB 3.62Å; V212-F298 HydrophobicContact CG2-CE2 4.15Å
213	G	98.8	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-170.6	178	0	0	0	0	0	112.7	M292 V293 C295	G213-M292 VanDerWaalsContact C-CE 3.47Å; G213-M292 WeakPolarHBondContact O-CE 3.34Å; G213-V293 PolarHBondContact N-O 2.72Å; G213-C295 PolarHBondContact O-N 3.18Å
214	K	98.4	Very high	96.5	Very high	38 Å²	38	48 Å²	48	17%	0.165	26%	0.259	C	S	.	.			trans	-84.5	117.8	175.2	-171.6	59.6	152.9	-72.5	0	110.2	S216 A240 T241 A244 F298 E303	K214-S216 PolarHBondContact O-N 3.09Å; K214-A240 CarbonylContact O-C 3.59Å; K214-A240 VanDerWaalsContact O-CA 3.24Å; K214-A240 WeakPolarHBondContact O-CA 3.1Å; K214-T241 PolarHBondContact O-N 2.72Å; K214-A244 HydrophobicContact CB-CB 3.73Å; K214-A244 HydrophobicContact CG-CB 4.47Å; K214-F298 HydrophobicContact CB-CB 3.99Å; K214-F298 PolarHBondContact NZ-O 2.84Å; K214-E303 WeakPolarHBondContact CE-OE2 3.45Å; K214-E303 IonicContact NZ-OE1 3.64Å; K214-E303 PolarHBondContact NZ-OE1 2.71Å; K214-E303 IonicContact NZ-OE2 2.78Å; K214-E303 PolarHBondContact NZ-OE2 2.96Å
215	P	97.9	Very high	96.4	Very high	29 Å²	29	47.1 Å²	47.1	19%	0.188	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-62.5	133.8	174.1	27.1	-37.1	0	0	0	110.4	L217 W238 M292 H294	P215-L217 VanDerWaalsContact C-N 3.29Å; P215-L217 PolarHBondContact O-N 2.99Å; P215-W238 HydrophobicContact CB-CE3 4.06Å; P215-W238 HydrophobicContact CB-CZ3 4.15Å; P215-M292 HydrophobicContact CB-CE 4.27Å; P215-H294 HydrophobicContact CG-CB 4.12Å
216	S	93.7	Very high	96.3	Very high	45 Å²	45	45.3 Å²	45.3	32%	0.315	24%	0.241	S	C	.	.	S	Bend	trans	-77.8	-8.5	-172.6	-162.9	0	0	0	0	115.7	K214 F239 T241	K214-S216 PolarHBondContact O-N 3.09Å; S216-F239 VanDerWaalsContact CB-CE2 3.43Å; S216-F239 PolarHBondContact N-O 3.43Å; S216-T241 WeakPolarHBondContact CA-OG1 3.42Å; S216-T241 WeakPolarHBondContact CB-OG1 3.47Å; S216-T241 PolarHBondContact OG-OG1 2.76Å
217	L	95.2	Very high	96.3	Very high	76 Å²	76	46 Å²	46	40%	0.398	25%	0.246	S	C	.	.	S	Bend	trans	-141.5	169.2	-174.1	-66.8	176.3	0	0	0	109.8	P215 K219 I221 W238 F239	P215-L217 VanDerWaalsContact C-N 3.29Å; P215-L217 PolarHBondContact O-N 2.99Å; L217-K219 VanDerWaalsContact C-N 3.26Å; L217-K219 WeakPolarHBondContact CB-O 3.49Å; L217-I221 HydrophobicContact CD1-CB 3.92Å; L217-I221 HydrophobicContact CD1-CG1 4.25Å; L217-W238 WeakPolarHBondContact O-CZ3 3.35Å; L217-F239 HydrophobicContact CD1-CE1 4.41Å
218	D	95.3	Very high	96.2	Very high	125 Å²	125	48.7 Å²	48.7	67%	0.668	26%	0.263	S	S	*	.	S	Bend	trans	-76.4	-13.9	171.1	68.8	-29.3	0	0	0	113.4
219	K	97	Very high	95.8	Very high	72 Å²	72	51.5 Å²	51.5	31%	0.313	29%	0.292	S	S	.	.	S	Bend	trans	-147.5	158	-176.7	69.1	-155.3	170.7	-163.4	0	110.4	L217 I221	L217-K219 VanDerWaalsContact C-N 3.26Å; L217-K219 WeakPolarHBondContact CB-O 3.49Å; K219-I221 PolarHBondContact O-N 2.59Å
220	P	97.4	Very high	95.2	Very high	25 Å²	25	56.3 Å²	56.3	16%	0.162	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-54.3	137.2	172.7	-22.9	30.7	0	0	0	111.5	R236 F237 W238	P220-R236 HydrophobicContact CB-CG 3.58Å; P220-R236 HydrophobicContact CG-CG 4.45Å; P220-F237 CarbonylContact C-O 3.57Å; P220-F237 VanDerWaalsContact CA-O 3.25Å; P220-F237 WeakPolarHBondContact CA-O 3.41Å; P220-F237 WeakPolarHBondContact CB-O 3.18Å; P220-W238 HydrophobicContact CB-CD2 4.33Å; P220-W238 VanDerWaalsContact CD-CZ2 3.46Å; P220-W238 HydrophobicContact CG-CD2 3.92Å; P220-W238 HydrophobicContact CG-CG 4.3Å; P220-W238 HydrophobicContact CG-CZ2 3.9Å
221	I	97.9	Very high	94.8	Very high	34 Å²	34	62.4 Å²	62.4	17%	0.174	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	143.7	175.7	-167.5	170.8	0	0	0	109.9	L217 K219 R236 F237 F239 L274	L217-I221 HydrophobicContact CD1-CB 3.92Å; L217-I221 HydrophobicContact CD1-CG1 4.25Å; K219-I221 PolarHBondContact O-N 2.59Å; I221-R236 VanDerWaalsContact O-CA 3.25Å; I221-R236 WeakPolarHBondContact O-CA 3.38Å; I221-F237 HydrophobicContact CG2-CD1 4.37Å; I221-F237 HydrophobicContact CG2-CD2 3.87Å; I221-F237 HydrophobicContact CG2-CE1 4.06Å; I221-F237 HydrophobicContact CG2-CE2 3.53Å; I221-F237 HydrophobicContact CG2-CG 4.28Å; I221-F237 HydrophobicContact CG2-CZ 3.63Å; I221-F237 PolarHBondContact N-O 2.97Å; I221-F237 PolarHBondContact O-N 3.47Å; I221-F239 HydrophobicContact CB-CD1 4.39Å; I221-F239 HydrophobicContact CB-CE1 4.07Å; I221-F239 HydrophobicContact CD1-CE1 4.13Å; I221-F239 HydrophobicContact CG2-CD1 3.98Å; I221-F239 HydrophobicContact CG2-CE1 4.1Å; I221-L274 HydrophobicContact CD1-CD1 4.47Å
222	T	97.4	Very high	94.6	Very high	95 Å²	95	66.9 Å²	66.9	58%	0.583	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.2	168	-58.7	0	0	0	0	108.5	V235	T222-V235 WeakPolarHBondContact CA-O 3.38Å
223	A	95.5	Very high	94.4	Very high	7 Å²	7	69.5 Å²	69.5	6%	0.058	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	175.4	-179.1	0	0	0	0	0	111.9	V235 F237 L274	A223-V235 HydrophobicContact CB-CG2 4.07Å; A223-V235 PolarHBondContact N-O 2.83Å; A223-V235 WeakPolarHBondContact O-CG2 3.34Å; A223-V235 PolarHBondContact O-N 3.09Å; A223-F237 HydrophobicContact CB-CE1 4.29Å; A223-L274 HydrophobicContact CB-CD1 3.72Å; A223-L274 HydrophobicContact CB-CG 4.48Å
224	H	95.1	Very high	94.3	Very high	113 Å²	113	75.3 Å²	75.3	52%	0.523	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.7	177.5	-57.6	-64.4	0	0	0	110.4	V233 N234	H224-V233 WeakPolarHBondContact CA-O 3.33Å; H224-N234 PolarHBondContact CE1-OD1 2.99Å; H224-N234 PolarHBondContact ND1-OD1 3.44Å
225	E	96	Very high	94.2	Very high	15 Å²	15	73.7 Å²	73.7	7%	0.07	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127	170.1	178.6	-175.8	-177	0	0	109	L227 T232 V233 V235 R271 I272 F282	E225-L227 HydrophobicContact CG-CD2 3.92Å; E225-T232 WeakPolarHBondContact O-CA 3.36Å; E225-V233 HydrophobicContact CB-CG2 3.89Å; E225-V233 HydrophobicContact CG-CG2 4.41Å; E225-V233 PolarHBondContact N-O 3.2Å; E225-V233 PolarHBondContact O-N 3.05Å; E225-V235 HydrophobicContact CB-CG1 3.81Å; E225-V235 HydrophobicContact CB-CG2 4.27Å; E225-V235 WeakPolarHBondContact OE2-CG1 3.45Å; E225-R271 HydrophobicContact CG-CG 4.32Å; E225-R271 IonicContact OE1-CZ 3.77Å; E225-R271 IonicContact OE1-NE 3.6Å; E225-R271 IonicContact OE1-NH1 3.47Å; E225-R271 PolarHBondContact OE1-NH1 3.07Å; E225-R271 VanDerWaalsContact OE1-NH1 3.09Å; E225-R271 IonicContact OE1-NH2 2.72Å; E225-R271 PolarHBondContact OE1-NH2 3.28Å; E225-I272 HydrophobicContact CB-CG2 4.41Å; E225-I272 HydrophobicContact CG-CG2 4.48Å; E225-F282 HydrophobicContact CG-CE2 4.5Å; E225-F282 HydrophobicContact CG-CZ 4.18Å
226	L	94.4	Very high	94.2	Very high	51 Å²	51	79.4 Å²	79.4	27%	0.267	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.9	172.1	-175.5	63.8	0	0	0	110.1	T232 R271	L226-T232 HydrophobicContact CD1-CG2 3.94Å; L226-R271 HydrophobicContact CB-CG 4.33Å; L226-R271 WeakPolarHBondContact CB-O 3.49Å; L226-R271 PolarHBondContact N-O 2.88Å; L226-R271 VanDerWaalsContact O-CD 3.27Å; L226-R271 WeakPolarHBondContact O-CD 3.33Å; L226-R271 WeakPolarHBondContact O-CG 3.33Å
227	L	91	Very high	94.5	Very high	63 Å²	63	77.3 Å²	77.3	33%	0.33	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	169	175.3	-57	-177.1	0	0	0	111.1	E225 N230 K231 V233	E225-L227 HydrophobicContact CG-CD2 3.92Å; L227-N230 PolarHBondContact O-N 3.02Å; L227-K231 HydrophobicContact CB-CB 4.33Å; L227-K231 PolarHBondContact N-O 3.33Å; L227-K231 PolarHBondContact O-N 3.43Å; L227-V233 HydrophobicContact CD1-CB 4.37Å; L227-V233 HydrophobicContact CD1-CG1 3.57Å; L227-V233 HydrophobicContact CD1-CG2 3.87Å; L227-V233 HydrophobicContact CD2-CG2 4.39Å; L227-V233 HydrophobicContact CG-CG1 4.39Å; L227-V233 HydrophobicContact CG-CG2 4.06Å
228	D	87.7	Confident	94.6	Very high	157 Å²	157	76.4 Å²	76.4	84%	0.84	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-55.4	145.9	176	-61.5	-42.1	0	0	0	112.5	N230	D228-N230 VanDerWaalsContact C-N 3.35Å
229	G	87.7	Confident	94.8	Very high	72 Å²	72	71.1 Å²	71.1	74%	0.742	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	70.8	27.3	-174.7	0	0	0	0	0	114	K231	G229-K231 PolarHBondContact O-N 3.12Å; G229-K231 VanDerWaalsContact O-N 3.17Å
230	N	85.4	Confident	94.9	Very high	144 Å²	144	67.7 Å²	67.7	77%	0.77	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	58	22.9	179.8	-66.6	-21.1	0	0	0	114.8	L227 D228	L227-N230 PolarHBondContact O-N 3.02Å; D228-N230 VanDerWaalsContact C-N 3.35Å
231	K	91.8	Very high	94.9	Very high	150 Å²	150	67.1 Å²	67.1	65%	0.652	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.7	173.7	-67.1	176.7	-178.7	175.1	0	109.2	L227 G229	L227-K231 HydrophobicContact CB-CB 4.33Å; L227-K231 PolarHBondContact N-O 3.33Å; L227-K231 PolarHBondContact O-N 3.43Å; G229-K231 PolarHBondContact O-N 3.12Å; G229-K231 VanDerWaalsContact O-N 3.17Å
232	T	93.1	Very high	94.9	Very high	93 Å²	93	65.7 Å²	65.7	57%	0.571	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	141	172.5	49.6	0	0	0	0	110.3	E225 L226	E225-T232 WeakPolarHBondContact O-CA 3.36Å; L226-T232 HydrophobicContact CD1-CG2 3.94Å
233	V	95.8	Very high	94.9	Very high	56 Å²	56	61.7 Å²	61.7	34%	0.339	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.2	174.7	-63.8	0	0	0	0	110.7	H224 E225 L227 V235	H224-V233 WeakPolarHBondContact CA-O 3.33Å; E225-V233 HydrophobicContact CB-CG2 3.89Å; E225-V233 HydrophobicContact CG-CG2 4.41Å; E225-V233 PolarHBondContact N-O 3.2Å; E225-V233 PolarHBondContact O-N 3.05Å; L227-V233 HydrophobicContact CD1-CB 4.37Å; L227-V233 HydrophobicContact CD1-CG1 3.57Å; L227-V233 HydrophobicContact CD1-CG2 3.87Å; L227-V233 HydrophobicContact CD2-CG2 4.39Å; L227-V233 HydrophobicContact CG-CG1 4.39Å; L227-V233 HydrophobicContact CG-CG2 4.06Å; V233-V235 HydrophobicContact CG2-CG1 4.27Å
234	N	96.3	Very high	95	Very high	121 Å²	121	61.3 Å²	61.3	65%	0.647	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.8	175.6	-67.8	-15.6	0	0	0	109.5	H224	H224-N234 PolarHBondContact CE1-OD1 2.99Å; H224-N234 PolarHBondContact ND1-OD1 3.44Å
235	V	97	Very high	95.2	Very high	4 Å²	4	56 Å²	56	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.2	176.9	-63.9	0	0	0	0	109.9	T222 A223 E225 V233 F237 F282 K286	T222-V235 WeakPolarHBondContact CA-O 3.38Å; A223-V235 HydrophobicContact CB-CG2 4.07Å; A223-V235 PolarHBondContact N-O 2.83Å; A223-V235 WeakPolarHBondContact O-CG2 3.34Å; A223-V235 PolarHBondContact O-N 3.09Å; E225-V235 HydrophobicContact CB-CG1 3.81Å; E225-V235 HydrophobicContact CB-CG2 4.27Å; E225-V235 WeakPolarHBondContact OE2-CG1 3.45Å; V233-V235 HydrophobicContact CG2-CG1 4.27Å; V235-F237 HydrophobicContact CB-CD1 4.46Å; V235-F237 HydrophobicContact CG2-CD1 4.28Å; V235-F237 HydrophobicContact CG2-CE1 3.86Å; V235-F282 HydrophobicContact CB-CE2 4.38Å; V235-F282 HydrophobicContact CG1-CE2 4.27Å; V235-F282 HydrophobicContact CG2-CD2 4.32Å; V235-F282 HydrophobicContact CG2-CE2 4.14Å; V235-K286 HydrophobicContact CB-CD 4.41Å; V235-K286 HydrophobicContact CB-CG 4.28Å; V235-K286 HydrophobicContact CG1-CD 4.31Å; V235-K286 HydrophobicContact CG1-CG 4.23Å
236	R	98.1	Very high	95.3	Very high	149 Å²	149	55.2 Å²	55.2	56%	0.562	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	127.8	-177.7	-174.2	172.9	-168.1	-151.3	1.8	109.6	P220 I221	P220-R236 HydrophobicContact CB-CG 3.58Å; P220-R236 HydrophobicContact CG-CG 4.45Å; I221-R236 VanDerWaalsContact O-CA 3.25Å; I221-R236 WeakPolarHBondContact O-CA 3.38Å
237	F	98.6	Very high	95.5	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	159.8	-172.4	53.8	-88.2	0	0	0	111.8	P220 I221 A223 V235 L274 C278 F282 E285 K286	P220-F237 CarbonylContact C-O 3.57Å; P220-F237 VanDerWaalsContact CA-O 3.25Å; P220-F237 WeakPolarHBondContact CA-O 3.41Å; P220-F237 WeakPolarHBondContact CB-O 3.18Å; I221-F237 HydrophobicContact CG2-CD1 4.37Å; I221-F237 HydrophobicContact CG2-CD2 3.87Å; I221-F237 HydrophobicContact CG2-CE1 4.06Å; I221-F237 HydrophobicContact CG2-CE2 3.53Å; I221-F237 HydrophobicContact CG2-CG 4.28Å; I221-F237 HydrophobicContact CG2-CZ 3.63Å; I221-F237 PolarHBondContact N-O 2.97Å; I221-F237 PolarHBondContact O-N 3.47Å; A223-F237 HydrophobicContact CB-CE1 4.29Å; V235-F237 HydrophobicContact CB-CD1 4.46Å; V235-F237 HydrophobicContact CG2-CD1 4.28Å; V235-F237 HydrophobicContact CG2-CE1 3.86Å; F237-L274 HydrophobicContact CZ-CD1 3.75Å; F237-C278 WeakPolarHBondContact CE2-O 3.38Å; F237-F282 HydrophobicContact CD1-CB 4.49Å; F237-F282 HydrophobicContact CD1-CD2 4.05Å; F237-F282 HydrophobicContact CD2-CB 4.3Å; F237-F282 HydrophobicContact CE1-CB 4.09Å; F237-F282 AromaticContact CE1-CD2 3.72Å; F237-F282 HydrophobicContact CE1-CD2 3.72Å; F237-F282 HydrophobicContact CE1-CG 4.39Å; F237-F282 HydrophobicContact CE2-CB 3.88Å; F237-F282 HydrophobicContact CZ-CB 3.77Å; F237-F282 HydrophobicContact CZ-CD2 4.23Å; F237-F282 HydrophobicContact CZ-CG 4.47Å; F237-E285 HydrophobicContact CB-CB 3.68Å; F237-E285 HydrophobicContact CB-CG 4.44Å; F237-K286 HydrophobicContact CB-CB 4.38Å; F237-K286 HydrophobicContact CD1-CB 4.43Å
238	W	98.6	Very high	95.9	Very high	57 Å²	57	50 Å²	50	22%	0.216	27%	0.27	C	S	.	.			trans	-86.8	156	166.4	-66.7	109.6	0	0	0	111.6	P215 L217 P220 G281 E285 M292 H294	P215-W238 HydrophobicContact CB-CE3 4.06Å; P215-W238 HydrophobicContact CB-CZ3 4.15Å; L217-W238 WeakPolarHBondContact O-CZ3 3.35Å; P220-W238 HydrophobicContact CB-CD2 4.33Å; P220-W238 VanDerWaalsContact CD-CZ2 3.46Å; P220-W238 HydrophobicContact CG-CD2 3.92Å; P220-W238 HydrophobicContact CG-CG 4.3Å; P220-W238 HydrophobicContact CG-CZ2 3.9Å; W238-G281 WeakPolarHBondContact O-CA 3.43Å; W238-E285 HydrophobicContact CB-CG 4.33Å; W238-M292 HydrophobicContact CB-CB 4.15Å; W238-M292 HydrophobicContact CB-SD 4.17Å; W238-H294 AromaticContact CD1-NE2 3.97Å; W238-H294 AromaticContact CD2-CE1 3.62Å; W238-H294 AromaticContact CD2-NE2 3.43Å; W238-H294 AromaticContact CE2-CE1 3.5Å; W238-H294 AromaticContact CE2-NE2 3.68Å; W238-H294 AromaticContact CE3-CE1 3.78Å; W238-H294 AromaticContact CE3-NE2 3.77Å; W238-H294 AromaticContact CG-NE2 3.62Å; W238-H294 AromaticContact CH2-CE1 3.72Å; W238-H294 AromaticContact CZ2-CE1 3.57Å; W238-H294 AromaticContact CZ3-CE1 3.83Å; W238-H294 AromaticContact NE1-NE2 4Å
239	F	98.7	Very high	96.5	Very high	14 Å²	14	42.6 Å²	42.6	6%	0.061	23%	0.231	C	C	.	.			trans	-148.3	148.4	169.5	72.8	-79	0	0	0	109.9	S216 L217 I221 D277 C278	S216-F239 VanDerWaalsContact CB-CE2 3.43Å; S216-F239 PolarHBondContact N-O 3.43Å; L217-F239 HydrophobicContact CD1-CE1 4.41Å; I221-F239 HydrophobicContact CB-CD1 4.39Å; I221-F239 HydrophobicContact CB-CE1 4.07Å; I221-F239 HydrophobicContact CD1-CE1 4.13Å; I221-F239 HydrophobicContact CG2-CD1 3.98Å; I221-F239 HydrophobicContact CG2-CE1 4.1Å; F239-D277 HydrophobicContact CD2-CB 4.36Å; F239-C278 WeakPolarHBondContact CE2-SG 3.37Å; F239-C278 VanDerWaalsContact CZ-SG 3.54Å
240	A	98.7	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-80.6	135.8	172.8	0	0	0	0	0	110	Y211 K214 G242 F246 M292	Y211-A240 HydrophobicContact CE2-CB 3.89Å; Y211-A240 WeakPolarHBondContact OH-CB 3.09Å; Y211-A240 PolarHBondContact OH-N 2.99Å; K214-A240 CarbonylContact O-C 3.59Å; K214-A240 VanDerWaalsContact O-CA 3.24Å; K214-A240 WeakPolarHBondContact O-CA 3.1Å; A240-G242 PolarHBondContact O-N 3.09Å; A240-F246 HydrophobicContact CB-CB 3.58Å; A240-F246 HydrophobicContact CB-CD1 4.39Å; A240-F246 HydrophobicContact CB-CG 4.24Å; A240-M292 HydrophobicContact CB-CE 3.57Å; A240-M292 HydrophobicContact CB-SD 4.14Å; A240-M292 PolarHBondContact N-SD 3.43Å; A240-M292 VanDerWaalsContact N-SD 3.42Å
241	T	98.1	Very high	97.6	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.086	19%	0.191	C	C	.	.			trans	-61.4	122.3	174.3	-54.6	0	0	0	0	110.3	K214 S216 G243 A244	K214-T241 PolarHBondContact O-N 2.72Å; S216-T241 WeakPolarHBondContact CA-OG1 3.42Å; S216-T241 WeakPolarHBondContact CB-OG1 3.47Å; S216-T241 PolarHBondContact OG-OG1 2.76Å; T241-G243 PolarHBondContact O-N 3.29Å; T241-A244 HydrophobicContact CG2-CB 4.41Å; T241-A244 WeakPolarHBondContact O-CB 3.27Å; T241-A244 PolarHBondContact O-N 3.4Å
242	G	97.5	Very high	97.9	Very high	4 Å²	4	33.5 Å²	33.5	4%	0.041	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-53.1	-53	-179.9	0	0	0	0	0	112.6	A240 A244 G245 D277	A240-G242 PolarHBondContact O-N 3.09Å; G242-A244 PolarHBondContact O-N 2.93Å; G242-A244 VanDerWaalsContact O-N 3.09Å; G242-G245 WeakPolarHBondContact O-CA 3.45Å; G242-G245 PolarHBondContact O-N 2.93Å; G242-D277 PolarHBondContact N-OD2 3.42Å
243	G	97.3	Very high	98.2	Very high	10 Å²	10	29.1 Å²	29.1	10%	0.103	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-72.9	8.2	177	0	0	0	0	0	116.1	D187 N190 T241 S300	D187-G243 WeakPolarHBondContact OD2-CA 3.24Å; D187-G243 PolarHBondContact OD2-N 3.28Å; N190-G243 PolarHBondContact ND2-O 2.66Å; T241-G243 PolarHBondContact O-N 3.29Å; G243-S300 WeakPolarHBondContact O-CA 3.3Å; G243-S300 WeakPolarHBondContact O-CB 3.45Å; G243-S300 PolarHBondContact O-OG 3Å
244	A	98.6	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-96.2	-15.6	160.6	0	0	0	0	0	112	K214 T241 G242 F298 T318	K214-A244 HydrophobicContact CB-CB 3.73Å; K214-A244 HydrophobicContact CG-CB 4.47Å; T241-A244 HydrophobicContact CG2-CB 4.41Å; T241-A244 WeakPolarHBondContact O-CB 3.27Å; T241-A244 PolarHBondContact O-N 3.4Å; G242-A244 PolarHBondContact O-N 2.93Å; G242-A244 VanDerWaalsContact O-N 3.09Å; A244-F298 HydrophobicContact CB-CB 4.31Å; A244-T318 WeakPolarHBondContact O-CB 3.34Å; A244-T318 WeakPolarHBondContact O-CG2 3.35Å; A244-T318 PolarHBondContact O-OG1 3.24Å
245	G	98.8	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	12%	0.124	C	C	.	.			trans	77	153.4	-163.9	0	0	0	0	0	113.5	H185 G242 F298	H185-G245 WeakPolarHBondContact O-CA 3.28Å; G242-G245 WeakPolarHBondContact O-CA 3.45Å; G242-G245 PolarHBondContact O-N 2.93Å; G245-F298 VanDerWaalsContact O-CD1 3.24Å; G245-F298 WeakPolarHBondContact O-CD1 3.19Å
246	F	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161.2	174.8	65.2	-100.9	0	0	0	110.8	M168 F183 C184 H185 Y211 V212 A240 L248 V280	M168-F246 HydrophobicContact CE-CE1 4.28Å; M168-F246 HydrophobicContact CE-CZ 4Å; M168-F246 HydrophobicContact SD-CZ 4.21Å; F183-F246 HydrophobicContact CD1-CE2 4.33Å; F183-F246 AromaticContact CE1-CE2 3.9Å; F183-F246 HydrophobicContact CE1-CE2 3.9Å; F183-F246 HydrophobicContact CE1-CZ 4.35Å; C184-F246 CarbonylContact C-O 3.56Å; C184-F246 VanDerWaalsContact CA-O 3.25Å; C184-F246 WeakPolarHBondContact CA-O 3.42Å; H185-F246 HydrophobicContact CB-CD1 4.21Å; H185-F246 HydrophobicContact CB-CD2 4.35Å; H185-F246 HydrophobicContact CB-CE1 3.74Å; H185-F246 HydrophobicContact CB-CE2 3.89Å; H185-F246 HydrophobicContact CB-CG 4.49Å; H185-F246 HydrophobicContact CB-CZ 3.54Å; H185-F246 AromaticContact CD2-CD1 3.94Å; H185-F246 AromaticContact CD2-CE1 3.4Å; H185-F246 WeakPolarHBondContact CD2-CE1 3.38Å; H185-F246 AromaticContact CG-CE1 3.8Å; H185-F246 AromaticContact CG-CZ 3.94Å; H185-F246 PolarHBondContact N-O 2.99Å; H185-F246 PolarHBondContact O-N 2.87Å; H185-F246 VanDerWaalsContact O-N 3.14Å; Y211-F246 HydrophobicContact CD2-CD2 4.34Å; Y211-F246 HydrophobicContact CE2-CB 3.98Å; Y211-F246 AromaticContact CE2-CD2 3.74Å; Y211-F246 HydrophobicContact CE2-CD2 3.74Å; Y211-F246 HydrophobicContact CE2-CE2 4.44Å; Y211-F246 AromaticContact CE2-CG 3.93Å; Y211-F246 HydrophobicContact CE2-CG 3.93Å; V212-F246 CarbonylContact O-C 3.54Å; V212-F246 WeakPolarHBondContact O-CA 3.49Å; V212-F246 WeakPolarHBondContact O-CB 3.4Å; A240-F246 HydrophobicContact CB-CB 3.58Å; A240-F246 HydrophobicContact CB-CD1 4.39Å; A240-F246 HydrophobicContact CB-CG 4.24Å; F246-L248 HydrophobicContact CD2-CG 4.41Å; F246-L248 HydrophobicContact CE2-CD1 4.24Å; F246-L248 HydrophobicContact CE2-CG 4.34Å; F246-V280 HydrophobicContact CE2-CG1 4.06Å; F246-V280 HydrophobicContact CE2-CG2 4.36Å; F246-V280 HydrophobicContact CZ-CB 4.44Å; F246-V280 HydrophobicContact CZ-CG1 4.3Å; F246-V280 HydrophobicContact CZ-CG2 3.91Å
247	C	98.9	Very high	98.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149	174.9	-56.7	0	0	0	0	113.4	W182 F183 C184 L201 Y211 V212	W182-C247 HydrophobicContact CE3-CB 4.49Å; F183-C247 CarbonylContact O-C 3.46Å; F183-C247 WeakPolarHBondContact O-CA 3.31Å; F183-C247 VanDerWaalsContact O-CB 3.3Å; F183-C247 WeakPolarHBondContact O-CB 3.49Å; C184-C247 HydrophobicContact CB-CB 4.15Å; C184-C247 WeakPolarHBondContact CB-SG 3.44Å; C184-C247 WeakPolarHBondContact SG-CB 3.48Å; C184-C247 CovalentContact SG-SG 2.05Å; C184-C247 PolarHBondContact SG-SG 3Å; L201-C247 HydrophobicContact CD2-CB 4.1Å; Y211-C247 WeakPolarHBondContact CA-O 3.4Å; V212-C247 HydrophobicContact CG1-CB 3.87Å; V212-C247 PolarHBondContact N-O 3.43Å; V212-C247 PolarHBondContact O-N 3.39Å
248	L	98.9	Very high	98.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.2	175.7	-63	169.4	0	0	0	109.7	W182 F183 I210 Y211 F246 L252 M256 V280 V284	W182-L248 WeakPolarHBondContact CA-O 3.36Å; F183-L248 HydrophobicContact CB-CB 4.35Å; F183-L248 HydrophobicContact CD1-CB 4.36Å; F183-L248 HydrophobicContact CD1-CD1 3.94Å; F183-L248 HydrophobicContact CD1-CG 4.33Å; F183-L248 HydrophobicContact CE1-CD1 4.44Å; F183-L248 PolarHBondContact N-O 3.4Å; F183-L248 PolarHBondContact O-N 2.87Å; I210-L248 CarbonylContact O-C 3.52Å; I210-L248 WeakPolarHBondContact O-CA 3.42Å; Y211-L248 HydrophobicContact CD2-CD2 3.41Å; Y211-L248 VanDerWaalsContact CD2-CD2 3.41Å; Y211-L248 HydrophobicContact CD2-CG 4.3Å; Y211-L248 HydrophobicContact CE2-CD2 4.19Å; Y211-L248 HydrophobicContact CG-CD2 3.8Å; F246-L248 HydrophobicContact CD2-CG 4.41Å; F246-L248 HydrophobicContact CE2-CD1 4.24Å; F246-L248 HydrophobicContact CE2-CG 4.34Å; L248-L252 HydrophobicContact CD2-CD2 3.75Å; L248-L252 HydrophobicContact CD2-CG 4.42Å; L248-M256 HydrophobicContact CD1-CE 3.87Å; L248-M256 HydrophobicContact CD1-SD 3.74Å; L248-M256 HydrophobicContact CD2-SD 4.1Å; L248-V280 HydrophobicContact CD1-CG1 4.23Å; L248-V280 HydrophobicContact CD2-CG1 4.39Å; L248-V284 HydrophobicContact CD2-CG2 4.17Å
249	S	98.8	Very high	98.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	146.7	165.8	59.4	0	0	0	0	110.7	G208 I210 R251 L252 A253	G208-S249 WeakPolarHBondContact O-CB 2.98Å; G208-S249 PolarHBondContact O-OG 3.27Å; G208-S249 VanDerWaalsContact O-OG 3.06Å; I210-S249 PolarHBondContact N-OG 3.4Å; I210-S249 PolarHBondContact O-N 3.21Å; I210-S249 PolarHBondContact O-OG 3.23Å; S249-R251 VanDerWaalsContact C-N 3.3Å; S249-R251 PolarHBondContact O-N 2.78Å; S249-L252 PolarHBondContact O-N 2.73Å; S249-L252 VanDerWaalsContact O-N 3.15Å; S249-L252 VanDerWaalsContact OG-CB 3.25Å; S249-L252 WeakPolarHBondContact OG-CB 3.42Å; S249-L252 PolarHBondContact OG-N 3.44Å; S249-A253 PolarHBondContact O-N 2.83Å
250	R	98.4	Very high	98.5	Very high	60 Å²	60	27.4 Å²	27.4	23%	0.226	13%	0.133	C	C	.	.	H	α-helix	trans	-54	-43.6	177.5	-167.8	-173.8	-174.6	87.9	5.7	113.1	F175 M176 S178 K180 R181 L252 A253 E254	F175-R250 HydrophobicContact CE1-CB 4.42Å; F175-R250 HydrophobicContact CE1-CG 4.24Å; F175-R250 HydrophobicContact CZ-CB 3.87Å; F175-R250 HydrophobicContact CZ-CG 3.95Å; M176-R250 PolarHBondContact O-NH2 3.05Å; S178-R250 PolarHBondContact O-NH1 3.08Å; S178-R250 PolarHBondContact O-NH2 2.78Å; K180-R250 WeakPolarHBondContact O-CD 3.41Å; K180-R250 PolarHBondContact O-NH1 3.11Å; R181-R250 WeakPolarHBondContact O-CB 3.32Å; R181-R250 PolarHBondContact O-N 3.34Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 3.03Å; R250-A253 WeakPolarHBondContact O-CB 3.4Å; R250-A253 PolarHBondContact O-N 3.31Å; R250-A253 VanDerWaalsContact O-N 3.1Å; R250-E254 WeakPolarHBondContact CD-OE1 3.24Å; R250-E254 HydrophobicContact CG-CG 4.39Å; R250-E254 WeakPolarHBondContact CG-OE1 3.37Å; R250-E254 IonicContact NE-OE1 2.6Å; R250-E254 PolarHBondContact NE-OE1 2.96Å; R250-E254 WeakPolarHBondContact O-CG 3.31Å; R250-E254 PolarHBondContact O-N 3.2Å
251	R	98.3	Very high	98.5	Very high	116 Å²	116	29.3 Å²	29.3	44%	0.438	15%	0.146	S	C	.	.	H	α-helix	trans	-60.7	-39.6	-179.7	-169.1	-174.4	-177.8	-157.7	-4.9	113	E207 D209 S249 K255	E207-R251 WeakPolarHBondContact O-CD 3.43Å; E207-R251 PolarHBondContact O-NH1 3.23Å; D209-R251 IonicContact OD1-NE 3.02Å; S249-R251 VanDerWaalsContact C-N 3.3Å; S249-R251 PolarHBondContact O-N 2.78Å; R251-K255 WeakPolarHBondContact O-CG 3.14Å; R251-K255 PolarHBondContact O-N 3.26Å
252	L	98.9	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-45.9	172.7	178.2	57.2	0	0	0	111	D209 I210 L248 S249 R250 E254 K255 M256 V284 L288 V290	D209-L252 HydrophobicContact CB-CB 4.26Å; D209-L252 HydrophobicContact CB-CD1 4.37Å; I210-L252 WeakPolarHBondContact O-CD2 3.44Å; L248-L252 HydrophobicContact CD2-CD2 3.75Å; L248-L252 HydrophobicContact CD2-CG 4.42Å; S249-L252 PolarHBondContact O-N 2.73Å; S249-L252 VanDerWaalsContact O-N 3.15Å; S249-L252 VanDerWaalsContact OG-CB 3.25Å; S249-L252 WeakPolarHBondContact OG-CB 3.42Å; S249-L252 PolarHBondContact OG-N 3.44Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 3.03Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E254 PolarHBondContact O-N 3.17Å; L252-K255 WeakPolarHBondContact O-CB 3.07Å; L252-K255 PolarHBondContact O-N 2.85Å; L252-K255 VanDerWaalsContact O-N 3.08Å; L252-M256 HydrophobicContact CD1-CG 4.44Å; L252-M256 HydrophobicContact CG-CG 4.46Å; L252-M256 HydrophobicContact CG-SD 4.13Å; L252-M256 WeakPolarHBondContact O-CG 3.1Å; L252-M256 PolarHBondContact O-N 3.05Å; L252-V284 HydrophobicContact CD1-CG1 4.35Å; L252-V284 HydrophobicContact CD1-CG2 4.46Å; L252-V284 HydrophobicContact CD2-CG1 3.89Å; L252-V284 HydrophobicContact CD2-CG2 4.07Å; L252-V284 HydrophobicContact CG-CG2 4.43Å; L252-L288 HydrophobicContact CD1-CD1 3.73Å; L252-V290 HydrophobicContact CD1-CB 4.3Å; L252-V290 HydrophobicContact CD1-CG1 4.29Å; L252-V290 HydrophobicContact CD1-CG2 4.09Å; L252-V290 HydrophobicContact CD2-CG1 4.31Å
253	A	98.7	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.7	-46.2	177.3	0	0	0	0	0	111.5	Y172 F175 M176 S249 R250 K255 M256 S257	Y172-A253 HydrophobicContact CE2-CB 3.95Å; Y172-A253 PolarHBondContact OH-O 3.11Å; F175-A253 HydrophobicContact CD1-CB 4.19Å; F175-A253 HydrophobicContact CE1-CB 3.65Å; M176-A253 HydrophobicContact SD-CB 3.81Å; S249-A253 PolarHBondContact O-N 2.83Å; R250-A253 WeakPolarHBondContact O-CB 3.4Å; R250-A253 PolarHBondContact O-N 3.31Å; R250-A253 VanDerWaalsContact O-N 3.1Å; A253-K255 PolarHBondContact O-N 3.21Å; A253-M256 WeakPolarHBondContact O-CA 3.45Å; A253-M256 WeakPolarHBondContact O-CB 3.45Å; A253-M256 PolarHBondContact O-N 3.31Å; A253-S257 PolarHBondContact O-N 3.25Å
254	E	98.7	Very high	98.3	Very high	97 Å²	97	36 Å²	36	45%	0.453	18%	0.183	S	C	.	.	H	α-helix	trans	-52.6	-38.4	174.9	-74.7	165.4	178.6	0	0	112.5	M176 R250 L252 S257	M176-E254 HydrophobicContact CE-CB 4.42Å; M176-E254 HydrophobicContact CE-CG 3.71Å; R250-E254 WeakPolarHBondContact CD-OE1 3.24Å; R250-E254 HydrophobicContact CG-CG 4.39Å; R250-E254 WeakPolarHBondContact CG-OE1 3.37Å; R250-E254 IonicContact NE-OE1 2.6Å; R250-E254 PolarHBondContact NE-OE1 2.96Å; R250-E254 WeakPolarHBondContact O-CG 3.31Å; R250-E254 PolarHBondContact O-N 3.2Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E254 PolarHBondContact O-N 3.17Å; E254-S257 WeakPolarHBondContact O-CB 3.36Å
255	K	98.8	Very high	98.3	Very high	80 Å²	80	36 Å²	36	35%	0.348	18%	0.183	S	C	.	.	H	α-helix	trans	-73.5	-29.2	174.3	-67.1	170.8	176.8	177	0	114	D209 R251 L252 A253 S257 P258 L288	D209-K255 WeakPolarHBondContact OD1-CE 3.39Å; D209-K255 IonicContact OD1-NZ 3.95Å; D209-K255 PolarHBondContact OD1-NZ 3.33Å; D209-K255 IonicContact OD2-NZ 3.74Å; D209-K255 PolarHBondContact OD2-NZ 3.47Å; R251-K255 WeakPolarHBondContact O-CG 3.14Å; R251-K255 PolarHBondContact O-N 3.26Å; L252-K255 WeakPolarHBondContact O-CB 3.07Å; L252-K255 PolarHBondContact O-N 2.85Å; L252-K255 VanDerWaalsContact O-N 3.08Å; A253-K255 PolarHBondContact O-N 3.21Å; K255-S257 VanDerWaalsContact C-N 3.26Å; K255-S257 PolarHBondContact O-N 2.95Å; K255-P258 VanDerWaalsContact O-CD 3.32Å; K255-P258 WeakPolarHBondContact O-CD 3.4Å; K255-L288 HydrophobicContact CB-CD1 3.91Å; K255-L288 HydrophobicContact CB-CD2 4Å
256	M	98.8	Very high	98.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-71.3	-20.2	176.1	-64.9	168.4	62.2	0	0	112.9	Y172 L248 L252 A253 P258 W259 A260 V280 I283 V284 L288	Y172-M256 HydrophobicContact CE2-CB 4.23Å; L248-M256 HydrophobicContact CD1-CE 3.87Å; L248-M256 HydrophobicContact CD1-SD 3.74Å; L248-M256 HydrophobicContact CD2-SD 4.1Å; L252-M256 HydrophobicContact CD1-CG 4.44Å; L252-M256 HydrophobicContact CG-CG 4.46Å; L252-M256 HydrophobicContact CG-SD 4.13Å; L252-M256 WeakPolarHBondContact O-CG 3.1Å; L252-M256 PolarHBondContact O-N 3.05Å; A253-M256 WeakPolarHBondContact O-CA 3.45Å; A253-M256 WeakPolarHBondContact O-CB 3.45Å; A253-M256 PolarHBondContact O-N 3.31Å; M256-P258 WeakPolarHBondContact O-CD 3.5Å; M256-P258 VanDerWaalsContact O-N 3.12Å; M256-W259 PolarHBondContact O-N 2.89Å; M256-A260 HydrophobicContact CB-CB 3.97Å; M256-A260 HydrophobicContact CE-CB 4.47Å; M256-A260 WeakPolarHBondContact O-CB 3.48Å; M256-A260 PolarHBondContact O-N 2.92Å; M256-V280 HydrophobicContact CE-CG1 4.12Å; M256-I283 HydrophobicContact CB-CG2 3.91Å; M256-I283 HydrophobicContact CE-CB 4.48Å; M256-I283 HydrophobicContact CE-CG2 4.35Å; M256-I283 HydrophobicContact CG-CG2 3.79Å; M256-V284 HydrophobicContact CE-CG2 4.02Å; M256-V284 HydrophobicContact CG-CG2 4.27Å; M256-V284 HydrophobicContact SD-CG2 3.66Å; M256-L288 HydrophobicContact CB-CD1 4.41Å; M256-L288 HydrophobicContact CG-CD1 3.6Å
257	S	98.5	Very high	98.2	Very high	42 Å²	42	45 Å²	45	29%	0.294	22%	0.219	S	C	.	.	H	α-helix	trans	-47	-42	-171.3	-174.8	0	0	0	0	115.9	Y172 A253 E254 K255 W259 A260 S261	Y172-S257 WeakPolarHBondContact OH-CA 3.26Å; Y172-S257 WeakPolarHBondContact OH-CB 3.47Å; Y172-S257 PolarHBondContact OH-N 3Å; Y172-S257 VanDerWaalsContact OH-N 3.12Å; A253-S257 PolarHBondContact O-N 3.25Å; E254-S257 WeakPolarHBondContact O-CB 3.36Å; K255-S257 VanDerWaalsContact C-N 3.26Å; K255-S257 PolarHBondContact O-N 2.95Å; S257-W259 PolarHBondContact O-N 3.02Å; S257-A260 PolarHBondContact O-N 3.2Å; S257-S261 PolarHBondContact O-N 3.34Å
258	P	98.6	Very high	98.1	Very high	75 Å²	75	45.4 Å²	45.4	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-20.1	177.8	-23.7	35.3	0	0	0	115.3	K255 M256 H264	K255-P258 VanDerWaalsContact O-CD 3.32Å; K255-P258 WeakPolarHBondContact O-CD 3.4Å; M256-P258 WeakPolarHBondContact O-CD 3.5Å; M256-P258 VanDerWaalsContact O-N 3.12Å; P258-H264 PolarHBondContact O-ND1 3.05Å
259	W	98.6	Very high	98.1	Very high	72 Å²	72	45.3 Å²	45.3	27%	0.273	22%	0.221	S	C	.	.	H	α-helix	trans	-116.4	-14.9	179.2	-56.7	-78.8	0	0	0	113.7	M256 S257 H264 F265 T268 I283 M287 L288	M256-W259 PolarHBondContact O-N 2.89Å; S257-W259 PolarHBondContact O-N 3.02Å; W259-H264 CarbonylContact O-C 3.09Å; W259-H264 VanDerWaalsContact O-O 3.1Å; W259-F265 VanDerWaalsContact O-CA 3.29Å; W259-F265 WeakPolarHBondContact O-CA 3.46Å; W259-F265 PolarHBondContact O-N 3.23Å; W259-T268 PolarHBondContact O-OG1 3.38Å; W259-I283 HydrophobicContact CB-CD1 3.78Å; W259-I283 HydrophobicContact CB-CG1 3.85Å; W259-I283 HydrophobicContact CB-CG2 4.06Å; W259-I283 HydrophobicContact CE3-CG2 4.18Å; W259-M287 HydrophobicContact CD2-CB 4.47Å; W259-M287 HydrophobicContact CZ2-CE 4.03Å; W259-M287 VanDerWaalsContact NE1-CE 3.33Å; W259-L288 HydrophobicContact CH2-CD2 4.35Å; W259-L288 HydrophobicContact CZ3-CD2 3.74Å; W259-L288 HydrophobicContact CZ3-CG 4.37Å
260	A	98.3	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-116.6	-23.2	-170.8	0	0	0	0	0	115.5	Y172 M256 S257 F265 I283	Y172-A260 HydrophobicContact CD1-CB 4.1Å; Y172-A260 WeakPolarHBondContact CD1-O 3.08Å; Y172-A260 HydrophobicContact CD2-CB 4.06Å; Y172-A260 HydrophobicContact CE1-CB 3.83Å; Y172-A260 HydrophobicContact CE2-CB 3.77Å; Y172-A260 HydrophobicContact CG-CB 4.22Å; M256-A260 HydrophobicContact CB-CB 3.97Å; M256-A260 HydrophobicContact CE-CB 4.47Å; M256-A260 WeakPolarHBondContact O-CB 3.48Å; M256-A260 PolarHBondContact O-N 2.92Å; S257-A260 PolarHBondContact O-N 3.2Å; A260-F265 HydrophobicContact CB-CD2 4.11Å; A260-F265 WeakPolarHBondContact O-CB 3.28Å; A260-I283 HydrophobicContact CB-CD1 4.15Å
261	S	97.3	Very high	97.9	Very high	39 Å²	39	48.3 Å²	48.3	27%	0.273	25%	0.245	S	C	.	.	S	Bend	trans	-80.1	137	-177.6	-170.4	0	0	0	0	112.4	D173 S257 H264	D173-S261 VanDerWaalsContact OD1-CA 3.26Å; D173-S261 WeakPolarHBondContact OD1-CA 3.47Å; D173-S261 WeakPolarHBondContact OD1-CB 3.41Å; D173-S261 PolarHBondContact OD1-OG 2.94Å; S257-S261 PolarHBondContact O-N 3.34Å; S261-H264 VanDerWaalsContact O-CB 3.26Å; S261-H264 WeakPolarHBondContact O-CB 3.32Å; S261-H264 PolarHBondContact O-CD2 3.48Å; S261-H264 VanDerWaalsContact O-CD2 3.31Å; S261-H264 PolarHBondContact O-N 3.35Å; S261-H264 VanDerWaalsContact O-N 3.11Å
262	G	95	Very high	97.8	Very high	15 Å²	15	43 Å²	43	16%	0.155	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-134.4	-179.5	0	0	0	0	0	113.4	S169 D173 H264 F265	S169-G262 WeakPolarHBondContact CB-O 3.41Å; D173-G262 VanDerWaalsContact CG-N 3.34Å; D173-G262 PolarHBondContact OD1-N 2.86Å; D173-G262 VanDerWaalsContact OD1-N 3.11Å; D173-G262 WeakPolarHBondContact OD2-CA 3.36Å; D173-G262 PolarHBondContact OD2-N 2.89Å; G262-H264 PolarHBondContact O-N 3.18Å; G262-F265 PolarHBondContact O-N 3.43Å
263	P	95.9	Very high	97.7	Very high	79 Å²	79	51.5 Å²	51.5	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-70.5	3.7	-176.3	28.8	-33.9	0	0	0	113.7	R267	P263-R267 WeakPolarHBondContact O-CG 3.47Å; P263-R267 PolarHBondContact O-N 3.06Å; P263-R267 PolarHBondContact O-NE 3.43Å; P263-R267 PolarHBondContact O-NH2 2.76Å
264	H	98.2	Very high	97.6	Very high	74 Å²	74	53 Å²	53	34%	0.343	26%	0.264	S	S	.	.	H	α-helix	trans	-72.4	-36.1	173.7	-69.6	-103.6	0	0	0	111.8	P258 W259 S261 G262 R267 T268	P258-H264 PolarHBondContact O-ND1 3.05Å; W259-H264 CarbonylContact O-C 3.09Å; W259-H264 VanDerWaalsContact O-O 3.1Å; S261-H264 VanDerWaalsContact O-CB 3.26Å; S261-H264 WeakPolarHBondContact O-CB 3.32Å; S261-H264 PolarHBondContact O-CD2 3.48Å; S261-H264 VanDerWaalsContact O-CD2 3.31Å; S261-H264 PolarHBondContact O-N 3.35Å; S261-H264 VanDerWaalsContact O-N 3.11Å; G262-H264 PolarHBondContact O-N 3.18Å; H264-R267 PolarHBondContact CD2-NH2 2.73Å; H264-R267 PolarHBondContact CE1-NH2 3.11Å; H264-R267 PolarHBondContact NE2-NH2 3Å; H264-R267 PolarHBondContact O-N 3.36Å; H264-T268 WeakPolarHBondContact O-CB 3.45Å; H264-T268 PolarHBondContact O-N 2.84Å; H264-T268 PolarHBondContact O-OG1 2.78Å
265	F	98.5	Very high	97.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-47.9	-179.1	-166.5	-88.5	0	0	0	112	S165 M168 W259 A260 G262 R267 T268 S269 D276 T279 V280 I283	S165-F265 VanDerWaalsContact O-CD1 3.32Å; S165-F265 WeakPolarHBondContact O-CD1 3.4Å; M168-F265 HydrophobicContact CB-CD1 4.27Å; M168-F265 HydrophobicContact CB-CE1 3.75Å; M168-F265 HydrophobicContact CB-CZ 4.07Å; M168-F265 HydrophobicContact CG-CD1 4.28Å; M168-F265 HydrophobicContact CG-CE1 3.57Å; M168-F265 HydrophobicContact CG-CE2 3.88Å; M168-F265 HydrophobicContact CG-CZ 3.34Å; W259-F265 VanDerWaalsContact O-CA 3.29Å; W259-F265 WeakPolarHBondContact O-CA 3.46Å; W259-F265 PolarHBondContact O-N 3.23Å; A260-F265 HydrophobicContact CB-CD2 4.11Å; A260-F265 WeakPolarHBondContact O-CB 3.28Å; G262-F265 PolarHBondContact O-N 3.43Å; F265-R267 VanDerWaalsContact C-N 3.32Å; F265-R267 PolarHBondContact O-N 2.86Å; F265-T268 PolarHBondContact O-N 3.04Å; F265-S269 WeakPolarHBondContact O-CB 3.24Å; F265-S269 PolarHBondContact O-N 2.96Å; F265-D276 HydrophobicContact CE1-CB 3.94Å; F265-D276 HydrophobicContact CZ-CB 4.25Å; F265-D276 WeakPolarHBondContact CZ-O 3.39Å; F265-T279 HydrophobicContact CD1-CG2 4.36Å; F265-T279 HydrophobicContact CD2-CG2 4.29Å; F265-T279 HydrophobicContact CE1-CG2 3.96Å; F265-T279 HydrophobicContact CE2-CG2 3.89Å; F265-T279 HydrophobicContact CZ-CG2 3.71Å; F265-V280 HydrophobicContact CE2-CG2 3.85Å; F265-V280 HydrophobicContact CZ-CG2 3.94Å; F265-I283 HydrophobicContact CD2-CD1 4.22Å; F265-I283 HydrophobicContact CE2-CD1 4.3Å
266	E	98.1	Very high	97.4	Very high	53 Å²	53	47.7 Å²	47.7	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-41.7	175.7	-67	176.8	-91.9	0	0	111.9	C166 S269 A270	C166-E266 HydrophobicContact CB-CG 4.35Å; E266-S269 PolarHBondContact O-N 3.31Å; E266-A270 VanDerWaalsContact O-CB 3.3Å; E266-A270 WeakPolarHBondContact O-CB 3.5Å; E266-A270 PolarHBondContact O-N 3.2Å
267	R	97.7	Very high	97.4	Very high	135 Å²	135	48.7 Å²	48.7	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-42.2	175.1	-80.2	179.1	-76	163.4	-1	112	P263 H264 F265 A270 R271	P263-R267 WeakPolarHBondContact O-CG 3.47Å; P263-R267 PolarHBondContact O-N 3.06Å; P263-R267 PolarHBondContact O-NE 3.43Å; P263-R267 PolarHBondContact O-NH2 2.76Å; H264-R267 PolarHBondContact CD2-NH2 2.73Å; H264-R267 PolarHBondContact CE1-NH2 3.11Å; H264-R267 PolarHBondContact NE2-NH2 3Å; H264-R267 PolarHBondContact O-N 3.36Å; F265-R267 VanDerWaalsContact C-N 3.32Å; F265-R267 PolarHBondContact O-N 2.86Å; R267-A270 PolarHBondContact O-N 3.02Å; R267-R271 WeakPolarHBondContact O-CB 3.43Å; R267-R271 PolarHBondContact O-N 3.01Å
268	T	98.1	Very high	97.4	Very high	9 Å²	9	47 Å²	47	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-43.4	176.7	-56.1	0	0	0	0	111.2	W259 H264 F265 R271 I272 T279 F282 I283	W259-T268 PolarHBondContact O-OG1 3.38Å; H264-T268 WeakPolarHBondContact O-CB 3.45Å; H264-T268 PolarHBondContact O-N 2.84Å; H264-T268 PolarHBondContact O-OG1 2.78Å; F265-T268 PolarHBondContact O-N 3.04Å; T268-R271 WeakPolarHBondContact O-CB 3.43Å; T268-R271 PolarHBondContact O-N 3.38Å; T268-I272 PolarHBondContact O-N 3.09Å; T268-T279 HydrophobicContact CG2-CG2 4.02Å; T268-F282 HydrophobicContact CG2-CD1 3.85Å; T268-F282 HydrophobicContact CG2-CE1 3.9Å; T268-I283 HydrophobicContact CG2-CD1 4.09Å; T268-I283 HydrophobicContact CG2-CG1 3.85Å
269	S	97.7	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-48.5	174.3	-175	0	0	0	0	111.4	Q161 F265 E266 R271 I272 R273 L274 T279	Q161-S269 PolarHBondContact NE2-O 3.13Å; Q161-S269 PolarHBondContact NE2-OG 3.34Å; F265-S269 WeakPolarHBondContact O-CB 3.24Å; F265-S269 PolarHBondContact O-N 2.96Å; E266-S269 PolarHBondContact O-N 3.31Å; S269-R271 PolarHBondContact O-N 3.45Å; S269-I272 WeakPolarHBondContact O-CG1 3.26Å; S269-I272 PolarHBondContact O-N 3.46Å; S269-R273 WeakPolarHBondContact O-CA 3.48Å; S269-R273 PolarHBondContact O-N 3.39Å; S269-L274 PolarHBondContact OG-O 3Å; S269-T279 WeakPolarHBondContact CA-OG1 3.29Å; S269-T279 VanDerWaalsContact CB-OG1 3.26Å; S269-T279 WeakPolarHBondContact CB-OG1 2.99Å; S269-T279 PolarHBondContact OG-OG1 3.48Å
270	A	96.7	Very high	97.4	Very high	58 Å²	58	40.1 Å²	40.1	48%	0.479	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-32.5	176.8	0	0	0	0	0	113.1	E266 R267 R273	E266-A270 VanDerWaalsContact O-CB 3.3Å; E266-A270 WeakPolarHBondContact O-CB 3.5Å; E266-A270 PolarHBondContact O-N 3.2Å; R267-A270 PolarHBondContact O-N 3.02Å; A270-R273 WeakPolarHBondContact O-CG 3.3Å
271	R	96.1	Very high	97.4	Very high	68 Å²	68	40.1 Å²	40.1	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-36.3	178.1	-166.1	174.7	66.3	154.9	8.5	113.3	E225 L226 R267 T268 S269 F282 M287	E225-R271 HydrophobicContact CG-CG 4.32Å; E225-R271 IonicContact OE1-CZ 3.77Å; E225-R271 IonicContact OE1-NE 3.6Å; E225-R271 IonicContact OE1-NH1 3.47Å; E225-R271 PolarHBondContact OE1-NH1 3.07Å; E225-R271 VanDerWaalsContact OE1-NH1 3.09Å; E225-R271 IonicContact OE1-NH2 2.72Å; E225-R271 PolarHBondContact OE1-NH2 3.28Å; L226-R271 HydrophobicContact CB-CG 4.33Å; L226-R271 WeakPolarHBondContact CB-O 3.49Å; L226-R271 PolarHBondContact N-O 2.88Å; L226-R271 VanDerWaalsContact O-CD 3.27Å; L226-R271 WeakPolarHBondContact O-CD 3.33Å; L226-R271 WeakPolarHBondContact O-CG 3.33Å; R267-R271 WeakPolarHBondContact O-CB 3.43Å; R267-R271 PolarHBondContact O-N 3.01Å; T268-R271 WeakPolarHBondContact O-CB 3.43Å; T268-R271 PolarHBondContact O-N 3.38Å; S269-R271 PolarHBondContact O-N 3.45Å; R271-F282 VanDerWaalsContact NH2-CE1 3.27Å; R271-F282 VanDerWaalsContact NH2-CZ 3.29Å; R271-M287 PolarHBondContact NH2-SD 2.98Å; R271-M287 VanDerWaalsContact NH2-SD 3.43Å
272	I	97.1	Very high	97.5	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-98.3	-14.7	178.8	65.7	-179.3	0	0	0	113.3	E225 T268 S269 L274 F282	E225-I272 HydrophobicContact CB-CG2 4.41Å; E225-I272 HydrophobicContact CG-CG2 4.48Å; T268-I272 PolarHBondContact O-N 3.09Å; S269-I272 WeakPolarHBondContact O-CG1 3.26Å; S269-I272 PolarHBondContact O-N 3.46Å; I272-L274 VanDerWaalsContact C-N 3.31Å; I272-L274 HydrophobicContact CD1-CB 4.09Å; I272-L274 HydrophobicContact CD1-CD1 4.16Å; I272-L274 HydrophobicContact CD1-CG 4.44Å; I272-L274 HydrophobicContact CG1-CB 4Å; I272-L274 HydrophobicContact CG1-CD1 4.37Å; I272-L274 HydrophobicContact CG1-CG 4.21Å; I272-L274 PolarHBondContact O-N 3.48Å; I272-F282 HydrophobicContact CD1-CB 3.7Å; I272-F282 HydrophobicContact CD1-CD1 4.12Å; I272-F282 HydrophobicContact CD1-CD2 4.45Å; I272-F282 HydrophobicContact CD1-CG 3.82Å; I272-F282 HydrophobicContact CG2-CD1 4Å; I272-F282 HydrophobicContact CG2-CD2 3.85Å; I272-F282 HydrophobicContact CG2-CE1 3.94Å; I272-F282 HydrophobicContact CG2-CE2 3.75Å; I272-F282 HydrophobicContact CG2-CG 3.97Å; I272-F282 HydrophobicContact CG2-CZ 3.82Å
273	R	96	Very high	97.7	Very high	178 Å²	178	37.5 Å²	37.5	67%	0.672	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	38.7	-178.8	-54.4	-179.2	-177	176.6	1.2	113.6	S269 A270	S269-R273 WeakPolarHBondContact O-CA 3.48Å; S269-R273 PolarHBondContact O-N 3.39Å; A270-R273 WeakPolarHBondContact O-CG 3.3Å
274	L	96.3	Very high	97.8	Very high	30 Å²	30	33.8 Å²	33.8	16%	0.157	16%	0.16	C	C	.	.			trans	-122.8	161.5	178.8	-61.8	177.6	0	0	0	111.5	Q161 I221 A223 F237 S269 I272 C278	Q161-L274 WeakPolarHBondContact CG-O 3.39Å; Q161-L274 PolarHBondContact NE2-O 3.03Å; I221-L274 HydrophobicContact CD1-CD1 4.47Å; A223-L274 HydrophobicContact CB-CD1 3.72Å; A223-L274 HydrophobicContact CB-CG 4.48Å; F237-L274 HydrophobicContact CZ-CD1 3.75Å; S269-L274 PolarHBondContact OG-O 3Å; I272-L274 VanDerWaalsContact C-N 3.31Å; I272-L274 HydrophobicContact CD1-CB 4.09Å; I272-L274 HydrophobicContact CD1-CD1 4.16Å; I272-L274 HydrophobicContact CD1-CG 4.44Å; I272-L274 HydrophobicContact CG1-CB 4Å; I272-L274 HydrophobicContact CG1-CD1 4.37Å; I272-L274 HydrophobicContact CG1-CG 4.21Å; I272-L274 PolarHBondContact O-N 3.48Å; L274-C278 HydrophobicContact CB-CB 3.52Å; L274-C278 HydrophobicContact CD1-CB 3.87Å; L274-C278 HydrophobicContact CG-CB 4.32Å
275	P	96.8	Very high	97.9	Very high	58 Å²	58	32.4 Å²	32.4	38%	0.377	15%	0.153	S	C	.	.			trans	-55.1	172.5	174.5	-26.1	35.9	0	0	0	115	C278 T279	P275-C278 PolarHBondContact O-N 2.86Å; P275-T279 WeakPolarHBondContact O-CB 3.44Å; P275-T279 PolarHBondContact O-N 2.89Å; P275-T279 PolarHBondContact O-OG1 2.87Å
276	D	97.9	Very high	97.8	Very high	9 Å²	9	37 Å²	37	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-45	178.8	54.5	-33.8	0	0	0	112.7	K107 L164 M168 F265 C278 T279 V280	K107-D276 WeakPolarHBondContact CE-OD2 3.24Å; K107-D276 IonicContact NZ-OD2 3.73Å; K107-D276 PolarHBondContact NZ-OD2 2.86Å; L164-D276 HydrophobicContact CB-CB 4.38Å; M168-D276 HydrophobicContact CB-CB 3.89Å; M168-D276 HydrophobicContact CE-CB 4.42Å; M168-D276 WeakPolarHBondContact CE-OD2 3.42Å; M168-D276 HydrophobicContact CG-CB 4.15Å; F265-D276 HydrophobicContact CE1-CB 3.94Å; F265-D276 HydrophobicContact CZ-CB 4.25Å; F265-D276 WeakPolarHBondContact CZ-O 3.39Å; D276-C278 PolarHBondContact O-N 2.94Å; D276-T279 WeakPolarHBondContact O-CA 3.31Å; D276-T279 VanDerWaalsContact O-CB 3.31Å; D276-T279 WeakPolarHBondContact O-CB 3.44Å; D276-T279 PolarHBondContact O-N 2.85Å; D276-V280 PolarHBondContact O-N 3.27Å
277	D	98.2	Very high	97.8	Very high	21 Å²	21	37.1 Å²	37.1	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-43.1	178.6	69.3	-10.4	0	0	0	113.1	F239 G242 T279 V280 G281	F239-D277 HydrophobicContact CD2-CB 4.36Å; G242-D277 PolarHBondContact N-OD2 3.42Å; D277-T279 VanDerWaalsContact C-N 3.26Å; D277-T279 PolarHBondContact O-N 2.72Å; D277-V280 PolarHBondContact O-N 3.13Å; D277-G281 PolarHBondContact O-N 2.95Å; D277-G281 VanDerWaalsContact O-N 3.07Å
278	C	98.6	Very high	97.9	Very high	6 Å²	6	33 Å²	33	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-33.2	171.3	-65.1	0	0	0	0	112.1	F237 F239 L274 P275 D276 F282	F237-C278 WeakPolarHBondContact CE2-O 3.38Å; F239-C278 WeakPolarHBondContact CE2-SG 3.37Å; F239-C278 VanDerWaalsContact CZ-SG 3.54Å; L274-C278 HydrophobicContact CB-CB 3.52Å; L274-C278 HydrophobicContact CD1-CB 3.87Å; L274-C278 HydrophobicContact CG-CB 4.32Å; P275-C278 PolarHBondContact O-N 2.86Å; D276-C278 PolarHBondContact O-N 2.94Å; C278-F282 VanDerWaalsContact O-CB 3.25Å; C278-F282 WeakPolarHBondContact O-CB 3.34Å; C278-F282 PolarHBondContact O-N 3.4Å
279	T	98.8	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-40.2	177.2	-55.1	0	0	0	0	110.9	F265 T268 S269 P275 D276 D277 F282 I283	F265-T279 HydrophobicContact CD1-CG2 4.36Å; F265-T279 HydrophobicContact CD2-CG2 4.29Å; F265-T279 HydrophobicContact CE1-CG2 3.96Å; F265-T279 HydrophobicContact CE2-CG2 3.89Å; F265-T279 HydrophobicContact CZ-CG2 3.71Å; T268-T279 HydrophobicContact CG2-CG2 4.02Å; S269-T279 WeakPolarHBondContact CA-OG1 3.29Å; S269-T279 VanDerWaalsContact CB-OG1 3.26Å; S269-T279 WeakPolarHBondContact CB-OG1 2.99Å; S269-T279 PolarHBondContact OG-OG1 3.48Å; P275-T279 WeakPolarHBondContact O-CB 3.44Å; P275-T279 PolarHBondContact O-N 2.89Å; P275-T279 PolarHBondContact O-OG1 2.87Å; D276-T279 WeakPolarHBondContact O-CA 3.31Å; D276-T279 VanDerWaalsContact O-CB 3.31Å; D276-T279 WeakPolarHBondContact O-CB 3.44Å; D276-T279 PolarHBondContact O-N 2.85Å; D277-T279 VanDerWaalsContact C-N 3.26Å; D277-T279 PolarHBondContact O-N 2.72Å; T279-F282 PolarHBondContact O-N 2.99Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 VanDerWaalsContact O-CG1 3.3Å; T279-I283 WeakPolarHBondContact O-CG1 3.38Å; T279-I283 PolarHBondContact O-N 3.37Å
280	V	98.8	Very high	97.9	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-52.3	171	174.5	0	0	0	0	110.5	M168 Y211 F246 L248 M256 F265 D276 D277 F282 I283 V284	M168-V280 HydrophobicContact SD-CG2 4.45Å; Y211-V280 HydrophobicContact CE1-CG1 4.5Å; Y211-V280 HydrophobicContact CE2-CG1 3.82Å; F246-V280 HydrophobicContact CE2-CG1 4.06Å; F246-V280 HydrophobicContact CE2-CG2 4.36Å; F246-V280 HydrophobicContact CZ-CB 4.44Å; F246-V280 HydrophobicContact CZ-CG1 4.3Å; F246-V280 HydrophobicContact CZ-CG2 3.91Å; L248-V280 HydrophobicContact CD1-CG1 4.23Å; L248-V280 HydrophobicContact CD2-CG1 4.39Å; M256-V280 HydrophobicContact CE-CG1 4.12Å; F265-V280 HydrophobicContact CE2-CG2 3.85Å; F265-V280 HydrophobicContact CZ-CG2 3.94Å; D276-V280 PolarHBondContact O-N 3.27Å; D277-V280 PolarHBondContact O-N 3.13Å; V280-F282 VanDerWaalsContact C-N 3.33Å; V280-F282 PolarHBondContact O-N 3.45Å; V280-I283 PolarHBondContact O-N 3.2Å; V280-V284 HydrophobicContact CG1-CG2 4.39Å; V280-V284 WeakPolarHBondContact O-CG2 3.19Å; V280-V284 PolarHBondContact O-N 2.93Å
281	G	98.8	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-42.7	178.6	0	0	0	0	0	113	W238 D277 I283 V284 E285	W238-G281 WeakPolarHBondContact O-CA 3.43Å; D277-G281 PolarHBondContact O-N 2.95Å; D277-G281 VanDerWaalsContact O-N 3.07Å; G281-I283 PolarHBondContact O-N 3.3Å; G281-V284 PolarHBondContact O-N 2.86Å; G281-E285 WeakPolarHBondContact O-CB 3.46Å; G281-E285 PolarHBondContact O-N 2.81Å
282	F	98.8	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-59.9	-45.1	175.2	173.3	-95.2	0	0	0	112.6	E225 V235 F237 T268 R271 I272 C278 T279 V280 K286 M287	E225-F282 HydrophobicContact CG-CE2 4.5Å; E225-F282 HydrophobicContact CG-CZ 4.18Å; V235-F282 HydrophobicContact CB-CE2 4.38Å; V235-F282 HydrophobicContact CG1-CE2 4.27Å; V235-F282 HydrophobicContact CG2-CD2 4.32Å; V235-F282 HydrophobicContact CG2-CE2 4.14Å; F237-F282 HydrophobicContact CD1-CB 4.49Å; F237-F282 HydrophobicContact CD1-CD2 4.05Å; F237-F282 HydrophobicContact CD2-CB 4.3Å; F237-F282 HydrophobicContact CE1-CB 4.09Å; F237-F282 AromaticContact CE1-CD2 3.72Å; F237-F282 HydrophobicContact CE1-CD2 3.72Å; F237-F282 HydrophobicContact CE1-CG 4.39Å; F237-F282 HydrophobicContact CE2-CB 3.88Å; F237-F282 HydrophobicContact CZ-CB 3.77Å; F237-F282 HydrophobicContact CZ-CD2 4.23Å; F237-F282 HydrophobicContact CZ-CG 4.47Å; T268-F282 HydrophobicContact CG2-CD1 3.85Å; T268-F282 HydrophobicContact CG2-CE1 3.9Å; R271-F282 VanDerWaalsContact NH2-CE1 3.27Å; R271-F282 VanDerWaalsContact NH2-CZ 3.29Å; I272-F282 HydrophobicContact CD1-CB 3.7Å; I272-F282 HydrophobicContact CD1-CD1 4.12Å; I272-F282 HydrophobicContact CD1-CD2 4.45Å; I272-F282 HydrophobicContact CD1-CG 3.82Å; I272-F282 HydrophobicContact CG2-CD1 4Å; I272-F282 HydrophobicContact CG2-CD2 3.85Å; I272-F282 HydrophobicContact CG2-CE1 3.94Å; I272-F282 HydrophobicContact CG2-CE2 3.75Å; I272-F282 HydrophobicContact CG2-CG 3.97Å; I272-F282 HydrophobicContact CG2-CZ 3.82Å; C278-F282 VanDerWaalsContact O-CB 3.25Å; C278-F282 WeakPolarHBondContact O-CB 3.34Å; C278-F282 PolarHBondContact O-N 3.4Å; T279-F282 PolarHBondContact O-N 2.99Å; V280-F282 VanDerWaalsContact C-N 3.33Å; V280-F282 PolarHBondContact O-N 3.45Å; F282-K286 HydrophobicContact CD2-CB 3.89Å; F282-K286 HydrophobicContact CD2-CG 4Å; F282-K286 HydrophobicContact CE2-CB 4.03Å; F282-K286 HydrophobicContact CE2-CG 3.64Å; F282-K286 HydrophobicContact CZ-CG 4.35Å; F282-K286 WeakPolarHBondContact O-CA 3.25Å; F282-K286 VanDerWaalsContact O-CB 3.26Å; F282-K286 WeakPolarHBondContact O-CB 3.38Å; F282-K286 PolarHBondContact O-N 3.02Å; F282-M287 HydrophobicContact CD1-CG 4.11Å; F282-M287 HydrophobicContact CE1-CG 3.56Å; F282-M287 HydrophobicContact CE1-SD 3.69Å; F282-M287 HydrophobicContact CZ-CG 3.97Å; F282-M287 HydrophobicContact CZ-SD 3.56Å; F282-M287 VanDerWaalsContact CZ-SD 3.56Å; F282-M287 PolarHBondContact O-N 3.46Å; F282-M287 VanDerWaalsContact O-N 3.13Å
283	I	98.9	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-64.1	-46.2	177.6	-63.4	166.1	0	0	0	110.2	M256 W259 A260 F265 T268 T279 V280 G281 M287 L288	M256-I283 HydrophobicContact CB-CG2 3.91Å; M256-I283 HydrophobicContact CE-CB 4.48Å; M256-I283 HydrophobicContact CE-CG2 4.35Å; M256-I283 HydrophobicContact CG-CG2 3.79Å; W259-I283 HydrophobicContact CB-CD1 3.78Å; W259-I283 HydrophobicContact CB-CG1 3.85Å; W259-I283 HydrophobicContact CB-CG2 4.06Å; W259-I283 HydrophobicContact CE3-CG2 4.18Å; A260-I283 HydrophobicContact CB-CD1 4.15Å; F265-I283 HydrophobicContact CD2-CD1 4.22Å; F265-I283 HydrophobicContact CE2-CD1 4.3Å; T268-I283 HydrophobicContact CG2-CD1 4.09Å; T268-I283 HydrophobicContact CG2-CG1 3.85Å; T279-I283 HydrophobicContact CG2-CD1 4.22Å; T279-I283 VanDerWaalsContact O-CG1 3.3Å; T279-I283 WeakPolarHBondContact O-CG1 3.38Å; T279-I283 PolarHBondContact O-N 3.37Å; V280-I283 PolarHBondContact O-N 3.2Å; G281-I283 PolarHBondContact O-N 3.3Å; I283-M287 WeakPolarHBondContact O-CB 3.4Å; I283-M287 PolarHBondContact O-N 3Å; I283-L288 HydrophobicContact CG2-CD1 4.38Å; I283-L288 PolarHBondContact O-N 2.04Å
284	V	98.9	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-70	-56	-174.9	176	0	0	0	0	112.4	Y211 L248 L252 M256 V280 G281 L288 G289 V290	Y211-V284 HydrophobicContact CD1-CB 4.01Å; Y211-V284 HydrophobicContact CD1-CG1 3.72Å; Y211-V284 HydrophobicContact CD1-CG2 4.26Å; Y211-V284 HydrophobicContact CG-CG1 4.13Å; Y211-V284 HydrophobicContact CG-CG2 4.42Å; L248-V284 HydrophobicContact CD2-CG2 4.17Å; L252-V284 HydrophobicContact CD1-CG1 4.35Å; L252-V284 HydrophobicContact CD1-CG2 4.46Å; L252-V284 HydrophobicContact CD2-CG1 3.89Å; L252-V284 HydrophobicContact CD2-CG2 4.07Å; L252-V284 HydrophobicContact CG-CG2 4.43Å; M256-V284 HydrophobicContact CE-CG2 4.02Å; M256-V284 HydrophobicContact CG-CG2 4.27Å; M256-V284 HydrophobicContact SD-CG2 3.66Å; V280-V284 HydrophobicContact CG1-CG2 4.39Å; V280-V284 WeakPolarHBondContact O-CG2 3.19Å; V280-V284 PolarHBondContact O-N 2.93Å; G281-V284 PolarHBondContact O-N 2.86Å; V284-L288 CarbonylContact O-C 3.58Å; V284-L288 WeakPolarHBondContact O-CB 3.29Å; V284-G289 PolarHBondContact O-N 3.44Å; V284-V290 CarbonylContact C-O 3.54Å; V284-V290 HydrophobicContact CG1-CB 3.87Å; V284-V290 HydrophobicContact CG1-CG1 4Å; V284-V290 WeakPolarHBondContact CG1-O 3.45Å; V284-V290 PolarHBondContact O-N 2.94Å
285	E	98.6	Very high	98.4	Very high	45 Å²	45	31.4 Å²	31.4	21%	0.21	19%	0.189	C	C	.	.	I	π-helix	trans	-77.8	-45.9	-175.8	-77.2	-105.8	167	0	0	112.2	F237 W238 G281 G289 V290 A291 M292	F237-E285 HydrophobicContact CB-CB 3.68Å; F237-E285 HydrophobicContact CB-CG 4.44Å; W238-E285 HydrophobicContact CB-CG 4.33Å; G281-E285 WeakPolarHBondContact O-CB 3.46Å; G281-E285 PolarHBondContact O-N 2.81Å; E285-G289 WeakPolarHBondContact O-CA 3.49Å; E285-G289 PolarHBondContact O-N 3.49Å; E285-V290 WeakPolarHBondContact CA-O 3.43Å; E285-A291 WeakPolarHBondContact OE1-CA 3.32Å; E285-M292 PolarHBondContact OE1-N 3.2Å
286	K	97.8	Very high	98.5	Very high	98 Å²	98	33 Å²	33	43%	0.426	20%	0.2	S	C	.	.	I	π-helix	trans	-91.3	-36.2	-169.6	179.9	60.4	-170.1	176.1	0	113.8	V235 F237 F282	V235-K286 HydrophobicContact CB-CD 4.41Å; V235-K286 HydrophobicContact CB-CG 4.28Å; V235-K286 HydrophobicContact CG1-CD 4.31Å; V235-K286 HydrophobicContact CG1-CG 4.23Å; F237-K286 HydrophobicContact CB-CB 4.38Å; F237-K286 HydrophobicContact CD1-CB 4.43Å; F282-K286 HydrophobicContact CD2-CB 3.89Å; F282-K286 HydrophobicContact CD2-CG 4Å; F282-K286 HydrophobicContact CE2-CB 4.03Å; F282-K286 HydrophobicContact CE2-CG 3.64Å; F282-K286 HydrophobicContact CZ-CG 4.35Å; F282-K286 WeakPolarHBondContact O-CA 3.25Å; F282-K286 VanDerWaalsContact O-CB 3.26Å; F282-K286 WeakPolarHBondContact O-CB 3.38Å; F282-K286 PolarHBondContact O-N 3.02Å
287	M	98	Very high	98.5	Very high	56 Å²	56	34.8 Å²	34.8	28%	0.276	21%	0.209	S	C	.	.	I	π-helix	trans	-90.9	-38.9	179.9	-55.1	-62.9	-71	0	0	112.6	W259 R271 F282 I283	W259-M287 HydrophobicContact CD2-CB 4.47Å; W259-M287 HydrophobicContact CZ2-CE 4.03Å; W259-M287 VanDerWaalsContact NE1-CE 3.33Å; R271-M287 PolarHBondContact NH2-SD 2.98Å; R271-M287 VanDerWaalsContact NH2-SD 3.43Å; F282-M287 HydrophobicContact CD1-CG 4.11Å; F282-M287 HydrophobicContact CE1-CG 3.56Å; F282-M287 HydrophobicContact CE1-SD 3.69Å; F282-M287 HydrophobicContact CZ-CG 3.97Å; F282-M287 HydrophobicContact CZ-SD 3.56Å; F282-M287 VanDerWaalsContact CZ-SD 3.56Å; F282-M287 PolarHBondContact O-N 3.46Å; F282-M287 VanDerWaalsContact O-N 3.13Å; I283-M287 WeakPolarHBondContact O-CB 3.4Å; I283-M287 PolarHBondContact O-N 3Å
288	L	98.6	Very high	98.5	Very high	48 Å²	48	33.9 Å²	33.9	25%	0.251	20%	0.204	S	C	.	.	S	Bend	trans	-97.8	-15.8	-178.9	-66.7	175.1	0	0	0	114.5	L252 K255 M256 W259 I283 V284 V290	L252-L288 HydrophobicContact CD1-CD1 3.73Å; K255-L288 HydrophobicContact CB-CD1 3.91Å; K255-L288 HydrophobicContact CB-CD2 4Å; M256-L288 HydrophobicContact CB-CD1 4.41Å; M256-L288 HydrophobicContact CG-CD1 3.6Å; W259-L288 HydrophobicContact CH2-CD2 4.35Å; W259-L288 HydrophobicContact CZ3-CD2 3.74Å; W259-L288 HydrophobicContact CZ3-CG 4.37Å; I283-L288 HydrophobicContact CG2-CD1 4.38Å; I283-L288 PolarHBondContact O-N 2.04Å; V284-L288 CarbonylContact O-C 3.58Å; V284-L288 WeakPolarHBondContact O-CB 3.29Å; L288-V290 VanDerWaalsContact C-N 3.28Å; L288-V290 HydrophobicContact CB-CG2 4.23Å; L288-V290 PolarHBondContact O-N 2.94Å
289	G	98.4	Very high	98.5	Very high	65 Å²	65	34.2 Å²	34.2	67%	0.67	21%	0.205	S	C	*	.			trans	70.3	21.6	-179.3	0	0	0	0	0	114.1	V284 E285	V284-G289 PolarHBondContact O-N 3.44Å; E285-G289 WeakPolarHBondContact O-CA 3.49Å; E285-G289 PolarHBondContact O-N 3.49Å
290	V	98.7	Very high	98.5	Very high	25 Å²	25	34.5 Å²	34.5	15%	0.152	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-95.8	125	-179.9	174.2	0	0	0	0	109	D209 L252 V284 E285 L288	D209-V290 HydrophobicContact CB-CG1 4.23Å; D209-V290 HydrophobicContact CB-CG2 4.19Å; L252-V290 HydrophobicContact CD1-CB 4.3Å; L252-V290 HydrophobicContact CD1-CG1 4.29Å; L252-V290 HydrophobicContact CD1-CG2 4.09Å; L252-V290 HydrophobicContact CD2-CG1 4.31Å; V284-V290 CarbonylContact C-O 3.54Å; V284-V290 HydrophobicContact CG1-CB 3.87Å; V284-V290 HydrophobicContact CG1-CG1 4Å; V284-V290 WeakPolarHBondContact CG1-O 3.45Å; V284-V290 PolarHBondContact O-N 2.94Å; E285-V290 WeakPolarHBondContact CA-O 3.43Å; L288-V290 VanDerWaalsContact C-N 3.28Å; L288-V290 HydrophobicContact CB-CG2 4.23Å; L288-V290 PolarHBondContact O-N 2.94Å
291	A	98.4	Very high	98.4	Very high	72 Å²	72	36 Å²	36	60%	0.595	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-74.6	137	-179.9	0	0	0	0	0	111.9	E285	E285-A291 WeakPolarHBondContact OE1-CA 3.32Å
292	M	98.5	Very high	98.2	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.064	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.4	131.4	172.1	-178.2	-173.4	158.2	0	0	110.8	Y211 G213 P215 W238 A240 E285 H294	Y211-M292 HydrophobicContact CD1-CB 3.77Å; Y211-M292 HydrophobicContact CD1-CG 3.7Å; Y211-M292 HydrophobicContact CD1-SD 4.44Å; Y211-M292 HydrophobicContact CE1-CB 4.15Å; Y211-M292 HydrophobicContact CE1-CG 3.88Å; Y211-M292 HydrophobicContact CE1-SD 4.01Å; Y211-M292 HydrophobicContact CG-CG 4.3Å; G213-M292 VanDerWaalsContact C-CE 3.47Å; G213-M292 WeakPolarHBondContact O-CE 3.34Å; P215-M292 HydrophobicContact CB-CE 4.27Å; W238-M292 HydrophobicContact CB-CB 4.15Å; W238-M292 HydrophobicContact CB-SD 4.17Å; A240-M292 HydrophobicContact CB-CE 3.57Å; A240-M292 HydrophobicContact CB-SD 4.14Å; A240-M292 PolarHBondContact N-SD 3.43Å; A240-M292 VanDerWaalsContact N-SD 3.42Å; E285-M292 PolarHBondContact OE1-N 3.2Å; M292-H294 PolarHBondContact O-N 2.77Å
293	V	98.8	Very high	97.9	Very high	50 Å²	50	43.2 Å²	43.2	30%	0.303	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109	169.7	-176.1	0	0	0	0	109.3	F204 I210 Y211 V212 G213 C295	F204-V293 HydrophobicContact CE1-CG1 4Å; F204-V293 HydrophobicContact CE1-CG2 4.27Å; F204-V293 HydrophobicContact CZ-CG1 3.98Å; I210-V293 HydrophobicContact CG2-CG2 4.38Å; Y211-V293 WeakPolarHBondContact O-CB 3.04Å; Y211-V293 PolarHBondContact O-N 2.83Å; V212-V293 WeakPolarHBondContact CA-O 3.36Å; V212-V293 HydrophobicContact CB-CB 4.09Å; V212-V293 HydrophobicContact CG2-CB 4.06Å; V212-V293 HydrophobicContact CG2-CG1 4.07Å; G213-V293 PolarHBondContact N-O 2.72Å; V293-C295 PolarHBondContact O-N 3.44Å
294	H	98.6	Very high	97.7	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.375	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.8	174.7	-64.8	-173.5	0	0	0	110.4	P215 W238 M292	P215-H294 HydrophobicContact CG-CB 4.12Å; W238-H294 AromaticContact CD1-NE2 3.97Å; W238-H294 AromaticContact CD2-CE1 3.62Å; W238-H294 AromaticContact CD2-NE2 3.43Å; W238-H294 AromaticContact CE2-CE1 3.5Å; W238-H294 AromaticContact CE2-NE2 3.68Å; W238-H294 AromaticContact CE3-CE1 3.78Å; W238-H294 AromaticContact CE3-NE2 3.77Å; W238-H294 AromaticContact CG-NE2 3.62Å; W238-H294 AromaticContact CH2-CE1 3.72Å; W238-H294 AromaticContact CZ2-CE1 3.57Å; W238-H294 AromaticContact CZ3-CE1 3.83Å; W238-H294 AromaticContact NE1-NE2 4Å; M292-H294 PolarHBondContact O-N 2.77Å
295	C	98.5	Very high	97.6	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.061	27%	0.273	C	S	.	.			trans	-125.8	122.4	-178.3	-173.9	0	0	0	0	111.5	V212 G213 V293 L297 F298	V212-C295 HydrophobicContact CG2-CB 3.62Å; G213-C295 PolarHBondContact O-N 3.18Å; V293-C295 PolarHBondContact O-N 3.44Å; C295-L297 PolarHBondContact O-N 2.91Å; C295-F298 HydrophobicContact CB-CD2 3.77Å; C295-F298 HydrophobicContact CB-CE2 3.97Å
296	P	97.7	Very high	97.4	Very high	92 Å²	92	49.9 Å²	49.9	60%	0.597	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	6.6	-179	35.5	-37.5	0	0	0	113.7	H299	P296-H299 PolarHBondContact O-CE1 2.71Å; P296-H299 PolarHBondContact O-NE2 2.95Å
297	L	98.7	Very high	97.3	Very high	46 Å²	46	51.9 Å²	51.9	24%	0.241	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.8	-179.5	-52.7	176.4	0	0	0	113	C295 H299 V317 T318	C295-L297 PolarHBondContact O-N 2.91Å; L297-H299 PolarHBondContact O-CD2 3.21Å; L297-V317 HydrophobicContact CB-CB 4.19Å; L297-V317 HydrophobicContact CB-CG2 3.74Å; L297-V317 HydrophobicContact CD1-CG2 4.22Å; L297-V317 PolarHBondContact O-N 2.9Å; L297-T318 PolarHBondContact O-N 2.81Å
298	F	98.8	Very high	97.2	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.013	29%	0.291	C	S	.	.			trans	-98.2	134.7	171.3	-66.6	-97.8	0	0	0	109.2	L200 V212 K214 A244 G245 C295 V317 T318	L200-F298 HydrophobicContact CD2-CE2 3.5Å; L200-F298 VanDerWaalsContact CD2-CE2 3.5Å; L200-F298 HydrophobicContact CD2-CZ 3.98Å; V212-F298 HydrophobicContact CG2-CE2 4.15Å; K214-F298 HydrophobicContact CB-CB 3.99Å; K214-F298 PolarHBondContact NZ-O 2.84Å; A244-F298 HydrophobicContact CB-CB 4.31Å; G245-F298 VanDerWaalsContact O-CD1 3.24Å; G245-F298 WeakPolarHBondContact O-CD1 3.19Å; C295-F298 HydrophobicContact CB-CD2 3.77Å; C295-F298 HydrophobicContact CB-CE2 3.97Å; F298-V317 HydrophobicContact CD1-CG1 4.15Å; F298-V317 HydrophobicContact CE1-CB 4.44Å; F298-V317 HydrophobicContact CE1-CG1 3.64Å; F298-V317 HydrophobicContact CE2-CB 4.45Å; F298-V317 HydrophobicContact CE2-CG1 4.23Å; F298-V317 HydrophobicContact CZ-CB 4.38Å; F298-V317 HydrophobicContact CZ-CG1 3.69Å; F298-T318 VanDerWaalsContact CA-OG1 3.28Å; F298-T318 WeakPolarHBondContact CA-OG1 3.32Å; F298-T318 HydrophobicContact CD1-CG2 3.78Å; F298-T318 HydrophobicContact CE1-CG2 4.23Å
299	H	98.5	Very high	97	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.06	30%	0.3	C	S	.	.			trans	-137.1	135.6	-171.8	-61.4	-81.6	0	0	0	113.7	P296 L297 E303 L305 I308 Q316 T318 L319 S320	P296-H299 PolarHBondContact O-CE1 2.71Å; P296-H299 PolarHBondContact O-NE2 2.95Å; L297-H299 PolarHBondContact O-CD2 3.21Å; H299-E303 WeakPolarHBondContact CA-OE1 3.26Å; H299-E303 IonicContact CG-OE1 3.63Å; H299-E303 IonicContact ND1-OE1 3.4Å; H299-E303 IonicContact ND1-OE2 2.68Å; H299-L305 HydrophobicContact CB-CD2 3.93Å; H299-I308 HydrophobicContact CB-CD1 3.96Å; H299-I308 VanDerWaalsContact CG-CD1 3.5Å; H299-I308 WeakPolarHBondContact ND1-CD1 3.07Å; H299-Q316 PolarHBondContact NE2-OE1 2.62Å; H299-T318 PolarHBondContact CD2-O 3.44Å; H299-T318 VanDerWaalsContact CD2-O 3.31Å; H299-T318 PolarHBondContact N-OG1 2.95Å; H299-L319 HydrophobicContact CB-CD2 4.46Å; H299-S320 WeakPolarHBondContact O-CB 3.46Å
300	S	97.9	Very high	96.8	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.035	28%	0.283	C	S	.	.			trans	-115.9	150.9	179	178.6	0	0	0	0	111.3	G243 L302 E303	G243-S300 WeakPolarHBondContact O-CA 3.3Å; G243-S300 WeakPolarHBondContact O-CB 3.45Å; G243-S300 PolarHBondContact O-OG 3Å; S300-L302 PolarHBondContact O-N 2.83Å; S300-L302 PolarHBondContact OG-N 3.15Å; S300-E303 PolarHBondContact N-OE1 2.97Å; S300-E303 WeakPolarHBondContact O-CG 3.37Å; S300-E303 PolarHBondContact O-N 3Å; S300-E303 VanDerWaalsContact O-N 3.11Å
301	H	96.7	Very high	96.7	Very high	35 Å²	35	60 Å²	60	16%	0.162	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	2.4	171.5	66.3	-103.5	0	0	0	114.1	D189 L305 S320 Y321 F324 N329	D189-H301 IonicContact OD1-CE1 3.54Å; D189-H301 IonicContact OD1-ND1 2.57Å; D189-H301 PolarHBondContact OD1-ND1 3.2Å; D189-H301 IonicContact OD2-CE1 3.09Å; D189-H301 IonicContact OD2-ND1 3.79Å; H301-L305 HydrophobicContact CB-CD1 4.42Å; H301-S320 VanDerWaalsContact N-CB 3.32Å; H301-S320 PolarHBondContact N-OG 3.19Å; H301-S320 PolarHBondContact ND1-OG 3.46Å; H301-Y321 PolarHBondContact ND1-O 2.96Å; H301-F324 WeakPolarHBondContact O-CB 3.43Å; H301-N329 PolarHBondContact O-ND2 3.11Å
302	L	94.3	Very high	96.5	Very high	99 Å²	99	58.3 Å²	58.3	52%	0.518	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.8	170.4	-57.1	-179	0	0	0	113.8	S300 F324	S300-L302 PolarHBondContact O-N 2.83Å; S300-L302 PolarHBondContact OG-N 3.15Å; L302-F324 HydrophobicContact CD2-CD2 4.12Å; L302-F324 HydrophobicContact CD2-CE2 4.42Å; L302-F324 WeakPolarHBondContact O-CE2 3.3Å
303	E	93.6	Very high	96.4	Very high	53 Å²	53	57.8 Å²	57.8	25%	0.248	30%	0.297	C	S	.	.	S	Bend	trans	-121.5	171.6	174.9	84.3	-166.5	105.4	0	0	112.9	K214 H299 S300 L305 N329	K214-E303 WeakPolarHBondContact CE-OE2 3.45Å; K214-E303 IonicContact NZ-OE1 3.64Å; K214-E303 PolarHBondContact NZ-OE1 2.71Å; K214-E303 IonicContact NZ-OE2 2.78Å; K214-E303 PolarHBondContact NZ-OE2 2.96Å; H299-E303 WeakPolarHBondContact CA-OE1 3.26Å; H299-E303 IonicContact CG-OE1 3.63Å; H299-E303 IonicContact ND1-OE1 3.4Å; H299-E303 IonicContact ND1-OE2 2.68Å; S300-E303 PolarHBondContact N-OE1 2.97Å; S300-E303 WeakPolarHBondContact O-CG 3.37Å; S300-E303 PolarHBondContact O-N 3Å; S300-E303 VanDerWaalsContact O-N 3.11Å; E303-L305 HydrophobicContact CG-CD2 4.01Å; E303-L305 PolarHBondContact O-N 3.43Å; E303-N329 PolarHBondContact O-ND2 3.48Å
304	N	93.9	Very high	96.3	Very high	86 Å²	86	58.8 Å²	58.8	46%	0.46	31%	0.305	S	S	.	.			trans	-76.7	85.3	179.7	-171.3	-0.6	0	0	0	112.4	L306 L307	N304-L306 PolarHBondContact O-N 3.31Å; N304-L306 VanDerWaalsContact O-N 3.14Å; N304-L306 VanDerWaalsContact OD1-CB 3.32Å; N304-L306 WeakPolarHBondContact OD1-CB 3.28Å; N304-L306 PolarHBondContact OD1-N 2.77Å; N304-L307 HydrophobicContact CB-CD1 4.01Å; N304-L307 HydrophobicContact CB-CG 4.1Å; N304-L307 WeakPolarHBondContact O-CB 3.3Å; N304-L307 WeakPolarHBondContact O-CG 3.45Å; N304-L307 PolarHBondContact O-N 2.92Å; N304-L307 VanDerWaalsContact O-N 3.09Å
305	L	96.4	Very high	96.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.2	-179.6	-61.6	177.5	0	0	0	113.9	H299 H301 E303 L307 I308 S320	H299-L305 HydrophobicContact CB-CD2 3.93Å; H301-L305 HydrophobicContact CB-CD1 4.42Å; E303-L305 HydrophobicContact CG-CD2 4.01Å; E303-L305 PolarHBondContact O-N 3.43Å; L305-L307 PolarHBondContact O-N 3.18Å; L305-I308 HydrophobicContact CB-CD1 4.46Å; L305-I308 HydrophobicContact CD2-CD1 3.66Å; L305-I308 PolarHBondContact O-N 3.28Å; L305-S320 WeakPolarHBondContact CD1-O 3.33Å
306	L	94.4	Very high	96.2	Very high	97 Å²	97	60.3 Å²	60.3	51%	0.508	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-67.1	-17.4	174.1	-51.8	174.6	0	0	0	112.5	N304 I308 E332	N304-L306 PolarHBondContact O-N 3.31Å; N304-L306 VanDerWaalsContact O-N 3.14Å; N304-L306 VanDerWaalsContact OD1-CB 3.32Å; N304-L306 WeakPolarHBondContact OD1-CB 3.28Å; N304-L306 PolarHBondContact OD1-N 2.77Å; L306-I308 VanDerWaalsContact C-N 3.31Å; L306-E332 HydrophobicContact CD2-CB 3.95Å
307	L	94.9	Very high	96.3	Very high	140 Å²	140	56 Å²	56	73%	0.733	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-78.6	-14.4	176.3	-59.1	179.4	0	0	0	113.1	N304 L305 S309	N304-L307 HydrophobicContact CB-CD1 4.01Å; N304-L307 HydrophobicContact CB-CG 4.1Å; N304-L307 WeakPolarHBondContact O-CB 3.3Å; N304-L307 WeakPolarHBondContact O-CG 3.45Å; N304-L307 PolarHBondContact O-N 2.92Å; N304-L307 VanDerWaalsContact O-N 3.09Å; L305-L307 PolarHBondContact O-N 3.18Å; L307-S309 PolarHBondContact O-N 2.96Å
308	I	96.3	Very high	96.3	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.067	27%	0.272	C	S	.	.	S	Bend	trans	-79.5	114.2	-179.3	-51.4	172.6	0	0	0	108.6	H299 L305 L306 Q316 L319 I331	H299-I308 HydrophobicContact CB-CD1 3.96Å; H299-I308 VanDerWaalsContact CG-CD1 3.5Å; H299-I308 WeakPolarHBondContact ND1-CD1 3.07Å; L305-I308 HydrophobicContact CB-CD1 4.46Å; L305-I308 HydrophobicContact CD2-CD1 3.66Å; L305-I308 PolarHBondContact O-N 3.28Å; L306-I308 VanDerWaalsContact C-N 3.31Å; I308-Q316 HydrophobicContact CG2-CG 3.95Å; I308-L319 HydrophobicContact CD1-CD2 3.63Å; I308-L319 HydrophobicContact CG2-CD2 4.33Å; I308-I331 HydrophobicContact CB-CD1 3.74Å; I308-I331 HydrophobicContact CB-CG1 4Å; I308-I331 HydrophobicContact CG2-CD1 3.58Å; I308-I331 HydrophobicContact CG2-CG1 4.4Å
309	S	94.7	Very high	96.3	Very high	61 Å²	61	54 Å²	54	43%	0.427	27%	0.272	S	S	.	.			trans	-71.6	138.7	-179.5	-170.7	0	0	0	0	111.9	L307 R311 S312 L313	L307-S309 PolarHBondContact O-N 2.96Å; S309-R311 PolarHBondContact O-N 3.29Å; S309-R311 VanDerWaalsContact O-N 3.08Å; S309-R311 PolarHBondContact OG-N 3.47Å; S309-S312 PolarHBondContact O-N 2.94Å; S309-S312 PolarHBondContact O-OG 3.47Å; S309-L313 PolarHBondContact O-N 3.41Å
310	Q	94.9	Very high	96.3	Very high	67 Å²	67	53.5 Å²	53.5	31%	0.313	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-52.5	-30.5	168	-176.4	167.4	-5	0	0	112.8	S312 L313 V333 K334 I352	Q310-S312 VanDerWaalsContact C-N 3.31Å; Q310-S312 PolarHBondContact O-N 3.24Å; Q310-L313 HydrophobicContact CG-CD1 4.04Å; Q310-L313 WeakPolarHBondContact O-CB 3.27Å; Q310-L313 PolarHBondContact O-N 3.09Å; Q310-V333 HydrophobicContact CB-CG1 4.21Å; Q310-V333 HydrophobicContact CG-CG1 4.3Å; Q310-K334 PolarHBondContact NE2-O 2.95Å; Q310-I352 HydrophobicContact CG-CD1 4.23Å
311	R	95.1	Very high	96.3	Very high	225 Å²	225	54.4 Å²	54.4	85%	0.849	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-70.6	-23.8	177.1	-67.3	-177.2	-179.4	167.1	0.3	113.8	S309	S309-R311 PolarHBondContact O-N 3.29Å; S309-R311 VanDerWaalsContact O-N 3.08Å; S309-R311 PolarHBondContact OG-N 3.47Å
312	S	95.9	Very high	96.3	Very high	35 Å²	35	53 Å²	53	25%	0.245	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-95.2	1.2	179.7	59.6	0	0	0	0	113.3	S309 Q310 P314 Q315 Q316	S309-S312 PolarHBondContact O-N 2.94Å; S309-S312 PolarHBondContact O-OG 3.47Å; Q310-S312 VanDerWaalsContact C-N 3.31Å; Q310-S312 PolarHBondContact O-N 3.24Å; S312-P314 VanDerWaalsContact C-CD 3.48Å; S312-Q315 VanDerWaalsContact CA-OE1 3.23Å; S312-Q315 PolarHBondContact O-N 3.23Å; S312-Q315 VanDerWaalsContact O-N 3.13Å; S312-Q315 PolarHBondContact O-OE1 3.27Å; S312-Q316 WeakPolarHBondContact O-CG 3.32Å; S312-Q316 PolarHBondContact O-N 3.45Å; S312-Q316 PolarHBondContact O-NE2 3.18Å
313	L	96.1	Very high	96.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-50.8	-45.9	177.9	-81.6	174.8	0	0	0	114.2	S309 Q310 Q315 Q316 L319 I331 V333 V349 I352	S309-L313 PolarHBondContact O-N 3.41Å; Q310-L313 HydrophobicContact CG-CD1 4.04Å; Q310-L313 WeakPolarHBondContact O-CB 3.27Å; Q310-L313 PolarHBondContact O-N 3.09Å; L313-Q315 PolarHBondContact O-N 3Å; L313-Q315 VanDerWaalsContact O-N 3.1Å; L313-Q316 PolarHBondContact O-N 2.86Å; L313-Q316 VanDerWaalsContact O-N 3.14Å; L313-L319 HydrophobicContact CD2-CD1 3.72Å; L313-I331 HydrophobicContact CD2-CD1 3.66Å; L313-I331 HydrophobicContact CG-CD1 4.38Å; L313-V333 HydrophobicContact CD1-CG1 3.92Å; L313-V349 HydrophobicContact CD2-CG1 4.23Å; L313-V349 HydrophobicContact CD2-CG2 4.08Å; L313-I352 HydrophobicContact CD1-CB 4.34Å; L313-I352 HydrophobicContact CD1-CD1 3.82Å; L313-I352 HydrophobicContact CD1-CG2 3.88Å
314	P	96.6	Very high	96	Very high	72 Å²	72	54.9 Å²	54.9	47%	0.468	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.7	-22.2	-178.5	-24.4	36	0	0	0	114.2	N193 S312 L353	N193-P314 PolarHBondContact ND2-O 2.97Å; S312-P314 VanDerWaalsContact C-CD 3.48Å; P314-L353 HydrophobicContact CG-CD2 4.48Å
315	Q	97.2	Very high	95.6	Very high	106 Å²	106	58 Å²	58	50%	0.495	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-94.7	-17.3	179.5	-59.9	80.5	8.7	0	0	113.6	S312 L313	S312-Q315 VanDerWaalsContact CA-OE1 3.23Å; S312-Q315 PolarHBondContact O-N 3.23Å; S312-Q315 VanDerWaalsContact O-N 3.13Å; S312-Q315 PolarHBondContact O-OE1 3.27Å; L313-Q315 PolarHBondContact O-N 3Å; L313-Q315 VanDerWaalsContact O-N 3.1Å
316	Q	98.4	Very high	95.2	Very high	16 Å²	16	65.5 Å²	65.5	8%	0.075	33%	0.327	C	S	.	.			trans	-69.2	144.1	177.4	-54.1	-38.2	-63.3	0	0	109.6	N193 H299 I308 S312 L313 L319	N193-Q316 WeakPolarHBondContact CB-O 3.25Å; N193-Q316 PolarHBondContact ND2-O 3.33Å; H299-Q316 PolarHBondContact NE2-OE1 2.62Å; I308-Q316 HydrophobicContact CG2-CG 3.95Å; S312-Q316 WeakPolarHBondContact O-CG 3.32Å; S312-Q316 PolarHBondContact O-N 3.45Å; S312-Q316 PolarHBondContact O-NE2 3.18Å; L313-Q316 PolarHBondContact O-N 2.86Å; L313-Q316 VanDerWaalsContact O-N 3.14Å; Q316-L319 HydrophobicContact CB-CD2 4.4Å; Q316-L319 HydrophobicContact CG-CD2 4.41Å
317	V	98.8	Very high	95	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-94.3	-46.6	-179.6	174	0	0	0	0	110.1	N193 L197 L200 L297 F298	N193-V317 PolarHBondContact N-O 3.5Å; L197-V317 HydrophobicContact CB-CG1 3.97Å; L197-V317 HydrophobicContact CD1-CG1 3.55Å; L197-V317 HydrophobicContact CG-CG1 4.34Å; L200-V317 HydrophobicContact CB-CG2 4.09Å; L200-V317 HydrophobicContact CD2-CG2 3.87Å; L297-V317 HydrophobicContact CB-CB 4.19Å; L297-V317 HydrophobicContact CB-CG2 3.74Å; L297-V317 HydrophobicContact CD1-CG2 4.22Å; L297-V317 PolarHBondContact O-N 2.9Å; F298-V317 HydrophobicContact CD1-CG1 4.15Å; F298-V317 HydrophobicContact CE1-CB 4.44Å; F298-V317 HydrophobicContact CE1-CG1 3.64Å; F298-V317 HydrophobicContact CE2-CB 4.45Å; F298-V317 HydrophobicContact CE2-CG1 4.23Å; F298-V317 HydrophobicContact CZ-CB 4.38Å; F298-V317 HydrophobicContact CZ-CG1 3.69Å
318	T	98.9	Very high	94.9	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.7	171.2	64.9	0	0	0	0	111.7	V186 Y191 A244 L297 F298 H299	V186-T318 HydrophobicContact CG1-CG2 4.18Å; Y191-T318 CarbonylContact O-C 3.58Å; Y191-T318 WeakPolarHBondContact O-CA 3.49Å; A244-T318 WeakPolarHBondContact O-CB 3.34Å; A244-T318 WeakPolarHBondContact O-CG2 3.35Å; A244-T318 PolarHBondContact O-OG1 3.24Å; L297-T318 PolarHBondContact O-N 2.81Å; F298-T318 VanDerWaalsContact CA-OG1 3.28Å; F298-T318 WeakPolarHBondContact CA-OG1 3.32Å; F298-T318 HydrophobicContact CD1-CG2 3.78Å; F298-T318 HydrophobicContact CE1-CG2 4.23Å; H299-T318 PolarHBondContact CD2-O 3.44Å; H299-T318 VanDerWaalsContact CD2-O 3.31Å; H299-T318 PolarHBondContact N-OG1 2.95Å
319	L	98.8	Very high	95	Very high	5 Å²	5	66 Å²	66	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	171.5	158	-61.3	171.1	0	0	0	108.2	N190 Y191 H299 I308 L313 Q316 I331 F346 V349	N190-L319 CarbonylContact C-O 3.6Å; N190-L319 WeakPolarHBondContact CA-O 3.49Å; N190-L319 PolarHBondContact ND2-O 2.89Å; Y191-L319 PolarHBondContact N-O 2.92Å; Y191-L319 PolarHBondContact O-N 2.91Å; H299-L319 HydrophobicContact CB-CD2 4.46Å; I308-L319 HydrophobicContact CD1-CD2 3.63Å; I308-L319 HydrophobicContact CG2-CD2 4.33Å; L313-L319 HydrophobicContact CD2-CD1 3.72Å; Q316-L319 HydrophobicContact CB-CD2 4.4Å; Q316-L319 HydrophobicContact CG-CD2 4.41Å; L319-I331 HydrophobicContact CD1-CD1 4.25Å; L319-I331 HydrophobicContact CD1-CG2 4.29Å; L319-I331 HydrophobicContact CD2-CD1 4.29Å; L319-F346 HydrophobicContact CB-CE1 4.4Å; L319-V349 HydrophobicContact CD1-CG1 4.02Å; L319-V349 HydrophobicContact CD1-CG2 3.85Å
320	S	98.6	Very high	95	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	167.8	174.3	-177.1	0	0	0	0	109.9	D189 N190 H299 H301 L305	D189-S320 VanDerWaalsContact O-CA 3.28Å; D189-S320 WeakPolarHBondContact O-CA 3.25Å; D189-S320 PolarHBondContact O-OG 3.4Å; D189-S320 PolarHBondContact OD1-OG 2.99Å; N190-S320 WeakPolarHBondContact ND2-CB 3.49Å; H299-S320 WeakPolarHBondContact O-CB 3.46Å; H301-S320 VanDerWaalsContact N-CB 3.32Å; H301-S320 PolarHBondContact N-OG 3.19Å; H301-S320 PolarHBondContact ND1-OG 3.46Å; L305-S320 WeakPolarHBondContact CD1-O 3.33Å
321	Y	98.3	Very high	95.1	Very high	25 Å²	25	60.8 Å²	60.8	10%	0.098	29%	0.292	C	S	.	.			trans	-142.1	150.8	164.4	75	-73.9	0	0	0	109.7	L119 D189 H301 M328 N329 F346	L119-Y321 HydrophobicContact CD2-CE1 4.28Å; D189-Y321 HydrophobicContact CB-CD1 4.01Å; D189-Y321 HydrophobicContact CB-CE1 3.73Å; D189-Y321 WeakPolarHBondContact CB-O 2.95Å; D189-Y321 WeakPolarHBondContact O-CD1 3.42Å; D189-Y321 PolarHBondContact O-N 3.07Å; H301-Y321 PolarHBondContact ND1-O 2.96Å; Y321-M328 HydrophobicContact CD2-SD 4.04Å; Y321-N329 VanDerWaalsContact CA-O 3.31Å; Y321-N329 WeakPolarHBondContact CA-O 3.27Å; Y321-F346 HydrophobicContact CD1-CD1 4.49Å; Y321-F346 HydrophobicContact CD1-CD2 4.24Å; Y321-F346 AromaticContact CD1-CE1 3.91Å; Y321-F346 HydrophobicContact CD1-CE1 3.91Å; Y321-F346 AromaticContact CD1-CE2 3.62Å; Y321-F346 HydrophobicContact CD1-CE2 3.62Å; Y321-F346 AromaticContact CD1-CZ 3.46Å; Y321-F346 HydrophobicContact CD1-CZ 3.46Å; Y321-F346 VanDerWaalsContact CD1-CZ 3.46Å; Y321-F346 HydrophobicContact CE1-CD2 4.21Å; Y321-F346 AromaticContact CE1-CE2 3.73Å; Y321-F346 HydrophobicContact CE1-CE2 3.73Å; Y321-F346 HydrophobicContact CE1-CZ 4.07Å; Y321-F346 HydrophobicContact CG-CZ 4.5Å
322	G	96.4	Very high	95	Very high	6 Å²	6	55.2 Å²	55.2	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	179	-178.8	0	0	0	0	0	113.4	N329	G322-N329 PolarHBondContact N-O 3.4Å; G322-N329 PolarHBondContact O-N 2.91Å
323	M	93.1	Very high	94.9	Very high	115 Å²	115	54.1 Å²	54.1	57%	0.567	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.8	176.7	-67.3	-60.3	-62.4	0	0	110.2	N326 K327 M328	M323-N326 WeakPolarHBondContact CE-O 3.41Å; M323-K327 WeakPolarHBondContact CA-O 3.35Å; M323-M328 HydrophobicContact SD-CB 4.41Å; M323-M328 HydrophobicContact SD-CE 4.42Å
324	F	87.9	Confident	94.7	Very high	75 Å²	75	62.5 Å²	62.5	33%	0.329	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.8	173.3	-169.4	-103.6	0	0	0	108.8	H301 L302 N326 K327 N329	H301-F324 WeakPolarHBondContact O-CB 3.43Å; L302-F324 HydrophobicContact CD2-CD2 4.12Å; L302-F324 HydrophobicContact CD2-CE2 4.42Å; L302-F324 WeakPolarHBondContact O-CE2 3.3Å; F324-N326 PolarHBondContact O-N 3.34Å; F324-N326 VanDerWaalsContact O-N 3.13Å; F324-K327 PolarHBondContact N-O 2.99Å; F324-K327 PolarHBondContact O-N 3.32Å; F324-K327 VanDerWaalsContact O-O 3.06Å; F324-N329 HydrophobicContact CB-CB 3.8Å
325	E	86.8	Confident	94.3	Very high	153 Å²	153	61.3 Å²	61.3	72%	0.715	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	40.9	-177	-60.9	-174.9	158.9	0	0	114.4	K327	E325-K327 PolarHBondContact O-N 3.08Å
326	N	87.3	Confident	93.8	Very high	158 Å²	158	59.2 Å²	59.2	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	17.5	-175.4	-54.7	-52.2	0	0	0	115.8	M323 F324	M323-N326 WeakPolarHBondContact CE-O 3.41Å; F324-N326 PolarHBondContact O-N 3.34Å; F324-N326 VanDerWaalsContact O-N 3.13Å
327	K	89.9	Confident	93.7	Very high	153 Å²	153	59.9 Å²	59.9	67%	0.665	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.5	172.5	-64.3	175.2	-175.4	169.3	0	110.6	M323 F324 E325 N329	M323-K327 WeakPolarHBondContact CA-O 3.35Å; F324-K327 PolarHBondContact N-O 2.99Å; F324-K327 PolarHBondContact O-N 3.32Å; F324-K327 VanDerWaalsContact O-O 3.06Å; E325-K327 PolarHBondContact O-N 3.08Å; K327-N329 PolarHBondContact O-N 3.48Å
328	M	93.6	Very high	93.5	Very high	90 Å²	90	62.1 Å²	62.1	44%	0.443	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	112.3	168.6	-177.4	64.7	77.9	0	0	108.6	Y321 M323	Y321-M328 HydrophobicContact CD2-SD 4.04Å; M323-M328 HydrophobicContact SD-CB 4.41Å; M323-M328 HydrophobicContact SD-CE 4.42Å
329	N	97.1	Very high	93.2	Very high	16 Å²	16	67 Å²	67	9%	0.086	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.9	173.7	-172.3	17.1	0	0	0	109	H301 E303 Y321 G322 F324 K327	H301-N329 PolarHBondContact O-ND2 3.11Å; E303-N329 PolarHBondContact O-ND2 3.48Å; Y321-N329 VanDerWaalsContact CA-O 3.31Å; Y321-N329 WeakPolarHBondContact CA-O 3.27Å; G322-N329 PolarHBondContact N-O 3.4Å; G322-N329 PolarHBondContact O-N 2.91Å; F324-N329 HydrophobicContact CB-CB 3.8Å; K327-N329 PolarHBondContact O-N 3.48Å
330	S	96.1	Very high	93	Very high	16 Å²	16	74.3 Å²	74.3	11%	0.112	38%	0.375	C	S	.	.			trans	-158.2	163.7	179.2	57.9	0	0	0	0	108.4
331	I	95.9	Very high	92.8	Very high	4 Å²	4	79.9 Å²	79.9	2%	0.021	40%	0.401	C	S	.	.			trans	-67.3	139.6	-179.3	-169.8	178	0	0	0	112.6	I308 L313 L319 V333 R345 V349	I308-I331 HydrophobicContact CB-CD1 3.74Å; I308-I331 HydrophobicContact CB-CG1 4Å; I308-I331 HydrophobicContact CG2-CD1 3.58Å; I308-I331 HydrophobicContact CG2-CG1 4.4Å; L313-I331 HydrophobicContact CD2-CD1 3.66Å; L313-I331 HydrophobicContact CG-CD1 4.38Å; L319-I331 HydrophobicContact CD1-CD1 4.25Å; L319-I331 HydrophobicContact CD1-CG2 4.29Å; L319-I331 HydrophobicContact CD2-CD1 4.29Å; I331-V333 HydrophobicContact CD1-CG1 3.83Å; I331-V333 HydrophobicContact CG1-CG1 3.93Å; I331-V333 HydrophobicContact CG2-CG1 3.98Å; I331-V333 HydrophobicContact CG2-CG2 4.2Å; I331-V333 PolarHBondContact O-N 3.3Å; I331-R345 HydrophobicContact CG2-CB 3.96Å; I331-R345 WeakPolarHBondContact O-CG 3.34Å; I331-V349 HydrophobicContact CG2-CG2 3.95Å
332	E	94.1	Very high	92.7	Very high	107 Å²	107	78.8 Å²	78.8	50%	0.5	40%	0.397	S	S	.	.			trans	-83.9	99.7	172.9	-172.3	133.2	-109.2	0	0	111.8	L306 K339	L306-E332 HydrophobicContact CD2-CB 3.95Å; E332-K339 IonicContact OE1-NZ 2.77Å; E332-K339 PolarHBondContact OE1-NZ 2.87Å
333	V	93.1	Very high	92.7	Very high	12 Å²	12	81.6 Å²	81.6	7%	0.073	41%	0.414	C	S	.	.			trans	-126.2	142.5	178.8	-68.6	0	0	0	0	111.4	Q310 L313 I331 R345 T348 V349 I352	Q310-V333 HydrophobicContact CB-CG1 4.21Å; Q310-V333 HydrophobicContact CG-CG1 4.3Å; L313-V333 HydrophobicContact CD1-CG1 3.92Å; I331-V333 HydrophobicContact CD1-CG1 3.83Å; I331-V333 HydrophobicContact CG1-CG1 3.93Å; I331-V333 HydrophobicContact CG2-CG1 3.98Å; I331-V333 HydrophobicContact CG2-CG2 4.2Å; I331-V333 PolarHBondContact O-N 3.3Å; V333-R345 HydrophobicContact CG2-CB 4.06Å; V333-T348 HydrophobicContact CB-CG2 4.43Å; V333-T348 HydrophobicContact CG2-CG2 3.64Å; V333-V349 HydrophobicContact CG2-CG2 4.49Å; V333-I352 HydrophobicContact CB-CD1 4.21Å
334	K	91.1	Very high	92.9	Very high	179 Å²	179	76.3 Å²	76.3	78%	0.778	39%	0.389	S	S	*	.			trans	-88.1	132.4	168.6	-64.7	-174.3	178.7	-174.2	0	109.9	Q310	Q310-K334 PolarHBondContact NE2-O 2.95Å
335	G	88.3	Confident	93.4	Very high	47 Å²	47	73.2 Å²	73.2	49%	0.485	37%	0.374	S	S	.	.	S	Bend	trans	-178.5	-175.6	171.8	0	0	0	0	0	110.5	F337	G335-F337 VanDerWaalsContact C-N 3.3Å; G335-F337 PolarHBondContact O-N 3.43Å
336	S	88.4	Confident	93.9	Very high	61 Å²	61	66 Å²	66	43%	0.427	34%	0.341	S	S	.	.	S	Bend	trans	-76.8	-4.4	-161.8	-42.2	0	0	0	0	116.2
337	F	94.8	Very high	94.5	Very high	30 Å²	30	61.5 Å²	61.5	13%	0.132	31%	0.314	C	S	.	.	S	Bend	trans	-103	128.2	177.4	-61.3	-76.9	0	0	0	111.8	G335 E341 D342 R345 K347 W359 P361	G335-F337 VanDerWaalsContact C-N 3.3Å; G335-F337 PolarHBondContact O-N 3.43Å; F337-E341 HydrophobicContact CB-CB 4.49Å; F337-E341 HydrophobicContact CD1-CB 4.48Å; F337-D342 HydrophobicContact CB-CB 3.92Å; F337-D342 HydrophobicContact CG-CB 4.37Å; F337-R345 PolarHBondContact O-NH1 3.37Å; F337-R345 PolarHBondContact O-NH2 3.49Å; F337-K347 HydrophobicContact CD2-CB 3.88Å; F337-K347 HydrophobicContact CE2-CB 3.73Å; F337-K347 HydrophobicContact CZ-CB 4.24Å; F337-K347 HydrophobicContact CZ-CD 4.46Å; F337-W359 AromaticContact CE2-CZ3 3.99Å; F337-W359 HydrophobicContact CE2-CZ3 3.99Å; F337-W359 HydrophobicContact CZ-CE3 4.03Å; F337-W359 AromaticContact CZ-CZ3 3.89Å; F337-W359 HydrophobicContact CZ-CZ3 3.89Å; F337-P361 HydrophobicContact CE1-CG 4.07Å; F337-P361 HydrophobicContact CE2-CG 4.27Å; F337-P361 VanDerWaalsContact CZ-CD 3.47Å; F337-P361 HydrophobicContact CZ-CG 3.85Å
338	S	94.3	Very high	94.8	Very high	47 Å²	47	54.3 Å²	54.3	33%	0.329	28%	0.283	S	S	.	.			trans	-60.9	158.4	171	66.5	0	0	0	0	111.7	E340 E341 D342 R345	S338-E340 WeakPolarHBondContact CB-OE2 3.09Å; S338-E340 PolarHBondContact O-N 3.3Å; S338-E340 VanDerWaalsContact O-N 3.16Å; S338-E341 VanDerWaalsContact CB-OE2 3.28Å; S338-E341 WeakPolarHBondContact CB-OE2 3.44Å; S338-E341 PolarHBondContact N-OE2 2.9Å; S338-E341 PolarHBondContact O-N 3.35Å; S338-E341 VanDerWaalsContact OG-CD 3.24Å; S338-E341 VanDerWaalsContact OG-CG 3.23Å; S338-E341 WeakPolarHBondContact OG-CG 3.38Å; S338-E341 PolarHBondContact OG-N 3.14Å; S338-E341 PolarHBondContact OG-OE2 3.23Å; S338-D342 PolarHBondContact O-N 3.34Å; S338-R345 PolarHBondContact O-NH2 2.77Å
339	K	93	Very high	95	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.6	-178.9	-75.1	-172.3	179.6	-179.7	0	111.6	E332 P343	E332-K339 IonicContact OE1-NZ 2.77Å; E332-K339 PolarHBondContact OE1-NZ 2.87Å; K339-P343 WeakPolarHBondContact O-CA 3.47Å; K339-P343 WeakPolarHBondContact O-CB 3.41Å
340	E	94.2	Very high	95.1	Very high	158 Å²	158	49.3 Å²	49.3	74%	0.738	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-38.4	177.3	-62.6	63.3	-143.1	0	0	112	S338	S338-E340 WeakPolarHBondContact CB-OE2 3.09Å; S338-E340 PolarHBondContact O-N 3.3Å; S338-E340 VanDerWaalsContact O-N 3.16Å
341	E	95.3	Very high	95.2	Very high	118 Å²	118	49.7 Å²	49.7	55%	0.551	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.7	-179.4	-70	164.2	122.3	0	0	114.1	F337 S338	F337-E341 HydrophobicContact CB-CB 4.49Å; F337-E341 HydrophobicContact CD1-CB 4.48Å; S338-E341 VanDerWaalsContact CB-OE2 3.28Å; S338-E341 WeakPolarHBondContact CB-OE2 3.44Å; S338-E341 PolarHBondContact N-OE2 2.9Å; S338-E341 PolarHBondContact O-N 3.35Å; S338-E341 VanDerWaalsContact OG-CD 3.24Å; S338-E341 VanDerWaalsContact OG-CG 3.23Å; S338-E341 WeakPolarHBondContact OG-CG 3.38Å; S338-E341 PolarHBondContact OG-N 3.14Å; S338-E341 PolarHBondContact OG-OE2 3.23Å
342	D	97	Very high	95.1	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	27%	0.273	C	S	.	.			trans	-142.7	67	-179	169.7	31.9	0	0	0	110.5	F337 S338 S344 R345 F346 K347 T348	F337-D342 HydrophobicContact CB-CB 3.92Å; F337-D342 HydrophobicContact CG-CB 4.37Å; S338-D342 PolarHBondContact O-N 3.34Å; D342-S344 PolarHBondContact O-N 3.42Å; D342-S344 VanDerWaalsContact O-N 3.08Å; D342-S344 PolarHBondContact OD1-OG 3.48Å; D342-R345 VanDerWaalsContact CB-NH2 3.33Å; D342-R345 PolarHBondContact O-N 2.86Å; D342-R345 PolarHBondContact O-NE 3.37Å; D342-R345 PolarHBondContact O-NH2 2.98Å; D342-R345 WeakPolarHBondContact OD1-CA 3.37Å; D342-R345 PolarHBondContact OD1-N 3.23Å; D342-R345 VanDerWaalsContact OD1-N 3.09Å; D342-R345 WeakPolarHBondContact OD2-CA 3.47Å; D342-R345 IonicContact OD2-NH2 3.74Å; D342-F346 PolarHBondContact OD1-N 3.46Å; D342-F346 VanDerWaalsContact OD1-N 3.12Å; D342-F346 PolarHBondContact OD2-N 2.96Å; D342-K347 HydrophobicContact CB-CB 4.14Å; D342-K347 HydrophobicContact CB-CD 4.33Å; D342-K347 HydrophobicContact CB-CG 4.46Å; D342-K347 PolarHBondContact OD1-N 3.23Å; D342-K347 WeakPolarHBondContact OD2-CB 3.45Å; D342-K347 PolarHBondContact OD2-N 3.44Å; D342-K347 VanDerWaalsContact OD2-N 3.12Å; D342-T348 WeakPolarHBondContact OD2-CB 3.49Å; D342-T348 PolarHBondContact OD2-N 3.36Å; D342-T348 PolarHBondContact OD2-OG1 3.06Å
343	P	95.8	Very high	95.3	Very high	65 Å²	65	48.9 Å²	48.9	42%	0.422	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.2	-175.7	23.4	-34.5	0	0	0	114.1	K339	K339-P343 WeakPolarHBondContact O-CA 3.47Å; K339-P343 WeakPolarHBondContact O-CB 3.41Å
344	S	97.5	Very high	95.4	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.028	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.6	172	72.2	0	0	0	0	114.3	L119 D342 F346	L119-S344 VanDerWaalsContact CD2-OG 3.31Å; L119-S344 WeakPolarHBondContact CD2-OG 3.47Å; D342-S344 PolarHBondContact O-N 3.42Å; D342-S344 VanDerWaalsContact O-N 3.08Å; D342-S344 PolarHBondContact OD1-OG 3.48Å; S344-F346 WeakPolarHBondContact O-CD1 3.15Å; S344-F346 PolarHBondContact O-N 3.39Å; S344-F346 VanDerWaalsContact OG-CB 3.3Å; S344-F346 WeakPolarHBondContact OG-CB 3.2Å; S344-F346 PolarHBondContact OG-N 3.06Å
345	R	97.9	Very high	95.6	Very high	9 Å²	9	45.3 Å²	45.3	3%	0.034	25%	0.251	C	S	.	.	S	Bend	trans	65.9	5.1	-166.3	-49.6	-79.2	74.9	-164.8	-4	114.5	I331 V333 F337 S338 D342 T348 V349	I331-R345 HydrophobicContact CG2-CB 3.96Å; I331-R345 WeakPolarHBondContact O-CG 3.34Å; V333-R345 HydrophobicContact CG2-CB 4.06Å; F337-R345 PolarHBondContact O-NH1 3.37Å; F337-R345 PolarHBondContact O-NH2 3.49Å; S338-R345 PolarHBondContact O-NH2 2.77Å; D342-R345 VanDerWaalsContact CB-NH2 3.33Å; D342-R345 PolarHBondContact O-N 2.86Å; D342-R345 PolarHBondContact O-NE 3.37Å; D342-R345 PolarHBondContact O-NH2 2.98Å; D342-R345 WeakPolarHBondContact OD1-CA 3.37Å; D342-R345 PolarHBondContact OD1-N 3.23Å; D342-R345 VanDerWaalsContact OD1-N 3.09Å; D342-R345 WeakPolarHBondContact OD2-CA 3.47Å; D342-R345 IonicContact OD2-NH2 3.74Å; R345-T348 WeakPolarHBondContact O-CB 3.34Å; R345-T348 PolarHBondContact O-N 3.29Å; R345-V349 WeakPolarHBondContact O-CG2 3.17Å; R345-V349 PolarHBondContact O-N 2.96Å
346	F	98.4	Very high	96	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-34.7	-176.2	-73.2	6.5	0	0	0	113.4	L119 L120 D189 N190 Y191 L319 Y321 D342 S344 T348 H350	L119-F346 HydrophobicContact CD1-CB 4.26Å; L119-F346 HydrophobicContact CD2-CB 4.21Å; L119-F346 HydrophobicContact CD2-CD2 3.95Å; L119-F346 HydrophobicContact CD2-CG 4.38Å; L119-F346 HydrophobicContact CG-CB 4.35Å; L119-F346 HydrophobicContact CG-CD2 4.36Å; L120-F346 HydrophobicContact CD2-CD2 3.85Å; L120-F346 HydrophobicContact CD2-CE2 3.8Å; D189-F346 VanDerWaalsContact O-CZ 3.29Å; D189-F346 WeakPolarHBondContact O-CZ 3.46Å; N190-F346 VanDerWaalsContact C-CE2 3.4Å; Y191-F346 HydrophobicContact CD2-CB 3.86Å; Y191-F346 HydrophobicContact CD2-CD1 4.26Å; Y191-F346 HydrophobicContact CD2-CD2 4.04Å; Y191-F346 AromaticContact CD2-CG 3.81Å; Y191-F346 HydrophobicContact CD2-CG 3.81Å; Y191-F346 HydrophobicContact CE2-CB 4.48Å; Y191-F346 HydrophobicContact CG-CD1 4.44Å; Y191-F346 HydrophobicContact CG-CG 4.36Å; L319-F346 HydrophobicContact CB-CE1 4.4Å; Y321-F346 HydrophobicContact CD1-CD1 4.49Å; Y321-F346 HydrophobicContact CD1-CD2 4.24Å; Y321-F346 AromaticContact CD1-CE1 3.91Å; Y321-F346 HydrophobicContact CD1-CE1 3.91Å; Y321-F346 AromaticContact CD1-CE2 3.62Å; Y321-F346 HydrophobicContact CD1-CE2 3.62Å; Y321-F346 AromaticContact CD1-CZ 3.46Å; Y321-F346 HydrophobicContact CD1-CZ 3.46Å; Y321-F346 VanDerWaalsContact CD1-CZ 3.46Å; Y321-F346 HydrophobicContact CE1-CD2 4.21Å; Y321-F346 AromaticContact CE1-CE2 3.73Å; Y321-F346 HydrophobicContact CE1-CE2 3.73Å; Y321-F346 HydrophobicContact CE1-CZ 4.07Å; Y321-F346 HydrophobicContact CG-CZ 4.5Å; D342-F346 PolarHBondContact OD1-N 3.46Å; D342-F346 VanDerWaalsContact OD1-N 3.12Å; D342-F346 PolarHBondContact OD2-N 2.96Å; S344-F346 WeakPolarHBondContact O-CD1 3.15Å; S344-F346 PolarHBondContact O-N 3.39Å; S344-F346 VanDerWaalsContact OG-CB 3.3Å; S344-F346 WeakPolarHBondContact OG-CB 3.2Å; S344-F346 PolarHBondContact OG-N 3.06Å; F346-T348 VanDerWaalsContact C-N 3.31Å; F346-H350 VanDerWaalsContact O-CB 3.24Å; F346-H350 WeakPolarHBondContact O-CB 3.34Å; F346-H350 PolarHBondContact O-N 2.89Å
347	K	98.2	Very high	96.3	Very high	65 Å²	65	46.3 Å²	46.3	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-41	172.5	-64.7	-178.2	176.7	174.4	0	110.5	L119 T123 F337 D342 H350 C351 W359	L119-K347 HydrophobicContact CD1-CG 3.88Å; T123-K347 HydrophobicContact CG2-CG 4.29Å; F337-K347 HydrophobicContact CD2-CB 3.88Å; F337-K347 HydrophobicContact CE2-CB 3.73Å; F337-K347 HydrophobicContact CZ-CB 4.24Å; F337-K347 HydrophobicContact CZ-CD 4.46Å; D342-K347 HydrophobicContact CB-CB 4.14Å; D342-K347 HydrophobicContact CB-CD 4.33Å; D342-K347 HydrophobicContact CB-CG 4.46Å; D342-K347 PolarHBondContact OD1-N 3.23Å; D342-K347 WeakPolarHBondContact OD2-CB 3.45Å; D342-K347 PolarHBondContact OD2-N 3.44Å; D342-K347 VanDerWaalsContact OD2-N 3.12Å; K347-H350 PolarHBondContact O-N 3.44Å; K347-C351 PolarHBondContact O-N 3.42Å; K347-C351 PolarHBondContact O-SG 3.03Å; K347-C351 VanDerWaalsContact O-SG 3.34Å; K347-W359 HydrophobicContact CB-CH2 4.1Å; K347-W359 HydrophobicContact CB-CZ3 3.93Å; K347-W359 HydrophobicContact CG-CH2 4.23Å; K347-W359 HydrophobicContact CG-CZ3 4.22Å
348	T	97.6	Very high	96.4	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-49.1	176.9	-49.9	0	0	0	0	111.4	V333 D342 R345 F346 H350 C351 I352	V333-T348 HydrophobicContact CB-CG2 4.43Å; V333-T348 HydrophobicContact CG2-CG2 3.64Å; D342-T348 WeakPolarHBondContact OD2-CB 3.49Å; D342-T348 PolarHBondContact OD2-N 3.36Å; D342-T348 PolarHBondContact OD2-OG1 3.06Å; R345-T348 WeakPolarHBondContact O-CB 3.34Å; R345-T348 PolarHBondContact O-N 3.29Å; F346-T348 VanDerWaalsContact C-N 3.31Å; T348-H350 VanDerWaalsContact C-N 3.34Å; T348-H350 PolarHBondContact O-N 2.95Å; T348-C351 PolarHBondContact O-N 3.12Å; T348-I352 HydrophobicContact CG2-CD1 4.25Å; T348-I352 WeakPolarHBondContact O-CD1 3.37Å; T348-I352 WeakPolarHBondContact O-CG1 3.45Å; T348-I352 PolarHBondContact O-N 2.86Å; T348-I352 VanDerWaalsContact O-N 3.11Å
349	V	98	Very high	96.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-43.9	173.6	168.3	0	0	0	0	111.3	Y191 L313 L319 I331 V333 R345 C351 I352 L353	Y191-V349 HydrophobicContact CD1-CG1 4.09Å; Y191-V349 HydrophobicContact CE1-CG1 3.86Å; Y191-V349 HydrophobicContact CE2-CG1 4.33Å; Y191-V349 HydrophobicContact CG-CG1 4.46Å; L313-V349 HydrophobicContact CD2-CG1 4.23Å; L313-V349 HydrophobicContact CD2-CG2 4.08Å; L319-V349 HydrophobicContact CD1-CG1 4.02Å; L319-V349 HydrophobicContact CD1-CG2 3.85Å; I331-V349 HydrophobicContact CG2-CG2 3.95Å; V333-V349 HydrophobicContact CG2-CG2 4.49Å; R345-V349 WeakPolarHBondContact O-CG2 3.17Å; R345-V349 PolarHBondContact O-N 2.96Å; V349-C351 PolarHBondContact O-N 3.42Å; V349-I352 PolarHBondContact O-N 2.88Å; V349-L353 HydrophobicContact CG1-CD1 3.89Å; V349-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 WeakPolarHBondContact O-CG 3.44Å; V349-L353 PolarHBondContact O-N 3.37Å
350	H	98.2	Very high	96.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-44.4	178.9	-170.3	84.7	0	0	0	112.1	T123 Y191 F346 K347 T348 I352 L353 Y354 T357 W359	T123-H350 HydrophobicContact CG2-CB 4.03Å; T123-H350 PolarHBondContact O-CE1 3Å; Y191-H350 HydrophobicContact CE2-CB 4.04Å; Y191-H350 WeakPolarHBondContact OH-CA 3.46Å; Y191-H350 PolarHBondContact OH-ND1 3.41Å; Y191-H350 VanDerWaalsContact OH-ND1 3.1Å; F346-H350 VanDerWaalsContact O-CB 3.24Å; F346-H350 WeakPolarHBondContact O-CB 3.34Å; F346-H350 PolarHBondContact O-N 2.89Å; K347-H350 PolarHBondContact O-N 3.44Å; T348-H350 VanDerWaalsContact C-N 3.34Å; T348-H350 PolarHBondContact O-N 2.95Å; H350-I352 VanDerWaalsContact C-N 3.31Å; H350-I352 PolarHBondContact O-N 2.83Å; H350-L353 PolarHBondContact O-N 3.1Å; H350-Y354 AromaticContact CE1-CD2 3.51Å; H350-Y354 AromaticContact ND1-CD2 3.63Å; H350-Y354 AromaticContact NE2-CD2 3.98Å; H350-Y354 WeakPolarHBondContact O-CA 3.35Å; H350-Y354 WeakPolarHBondContact O-CB 3.44Å; H350-Y354 PolarHBondContact O-N 3.17Å; H350-T357 PolarHBondContact NE2-OG1 3.17Å; H350-T357 VanDerWaalsContact NE2-OG1 3.08Å; H350-W359 HydrophobicContact CB-CH2 4.08Å; H350-W359 AromaticContact CD2-CH2 3.65Å; H350-W359 AromaticContact CD2-CZ2 3.5Å
351	C	97.3	Very high	96.5	Very high	23 Å²	23	43.7 Å²	43.7	16%	0.155	25%	0.25	C	C	.	.	H	α-helix	trans	-71.1	-23.8	177.9	-63.2	0	0	0	0	113.9	K347 T348 V349 P355 W359 C360	K347-C351 PolarHBondContact O-N 3.42Å; K347-C351 PolarHBondContact O-SG 3.03Å; K347-C351 VanDerWaalsContact O-SG 3.34Å; T348-C351 PolarHBondContact O-N 3.12Å; V349-C351 PolarHBondContact O-N 3.42Å; C351-P355 VanDerWaalsContact O-CA 3.26Å; C351-P355 WeakPolarHBondContact O-CA 3.43Å; C351-W359 WeakPolarHBondContact SG-CZ3 3.28Å; C351-C360 WeakPolarHBondContact CA-SG 3.43Å; C351-C360 HydrophobicContact CB-CB 3.76Å; C351-C360 WeakPolarHBondContact CB-SG 3.25Å; C351-C360 WeakPolarHBondContact SG-CA 3.31Å; C351-C360 WeakPolarHBondContact SG-CB 3.13Å; C351-C360 CovalentContact SG-SG 2.03Å; C351-C360 PolarHBondContact SG-SG 3.45Å
352	I	95.9	Very high	95.9	Very high	58 Å²	58	43.3 Å²	43.3	30%	0.297	26%	0.257	S	S	.	.	H	α-helix	trans	-71.3	-40.4	170.7	-67.7	161.3	0	0	0	110.9	Q310 L313 V333 T348 V349 H350	Q310-I352 HydrophobicContact CG-CD1 4.23Å; L313-I352 HydrophobicContact CD1-CB 4.34Å; L313-I352 HydrophobicContact CD1-CD1 3.82Å; L313-I352 HydrophobicContact CD1-CG2 3.88Å; V333-I352 HydrophobicContact CB-CD1 4.21Å; T348-I352 HydrophobicContact CG2-CD1 4.25Å; T348-I352 WeakPolarHBondContact O-CD1 3.37Å; T348-I352 WeakPolarHBondContact O-CG1 3.45Å; T348-I352 PolarHBondContact O-N 2.86Å; T348-I352 VanDerWaalsContact O-N 3.11Å; V349-I352 PolarHBondContact O-N 2.88Å; H350-I352 VanDerWaalsContact C-N 3.31Å; H350-I352 PolarHBondContact O-N 2.83Å
353	L	96.6	Very high	94.5	Very high	37 Å²	37	49.7 Å²	49.7	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-81.6	-31.4	-179.5	-65.4	175	0	0	0	113.2	Y191 N193 P314 V349 H350	Y191-L353 HydrophobicContact CE1-CD1 3.83Å; N193-L353 HydrophobicContact CB-CD1 4.4Å; P314-L353 HydrophobicContact CG-CD2 4.48Å; V349-L353 HydrophobicContact CG1-CD1 3.89Å; V349-L353 HydrophobicContact CG1-CG 4.47Å; V349-L353 WeakPolarHBondContact O-CG 3.44Å; V349-L353 PolarHBondContact O-N 3.37Å; H350-L353 PolarHBondContact O-N 3.1Å
354	Y	96.5	Very high	92.6	Very high	26 Å²	26	55.7 Å²	55.7	10%	0.102	33%	0.332	C	S	.	.			trans	-134.7	65.8	-174.3	-54.9	-70.8	0	0	0	110.9	R127 P194 H350 S356 T357	R127-Y354 HydrophobicContact CG-CD2 4.35Å; R127-Y354 HydrophobicContact CG-CE1 4.45Å; R127-Y354 HydrophobicContact CG-CE2 4.04Å; P194-Y354 WeakPolarHBondContact CD-OH 3.18Å; H350-Y354 AromaticContact CE1-CD2 3.51Å; H350-Y354 AromaticContact ND1-CD2 3.63Å; H350-Y354 AromaticContact NE2-CD2 3.98Å; H350-Y354 WeakPolarHBondContact O-CA 3.35Å; H350-Y354 WeakPolarHBondContact O-CB 3.44Å; H350-Y354 PolarHBondContact O-N 3.17Å; Y354-S356 PolarHBondContact O-N 3.17Å; Y354-T357 WeakPolarHBondContact O-CB 3.21Å; Y354-T357 PolarHBondContact O-N 3.18Å; Y354-T357 PolarHBondContact O-OG1 3.29Å
355	P	95.3	Very high	92.4	Very high	90 Å²	90	58.3 Å²	58.3	58%	0.584	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.4	-175.6	26.3	-36.1	0	0	0	114.2	C351 T357	C351-P355 VanDerWaalsContact O-CA 3.26Å; C351-P355 WeakPolarHBondContact O-CA 3.43Å; P355-T357 VanDerWaalsContact C-N 3.34Å
356	S	95	Very high	92.1	Very high	108 Å²	108	60.8 Å²	60.8	76%	0.755	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.9	174.9	65.5	0	0	0	0	114.2	Y354 S358	Y354-S356 PolarHBondContact O-N 3.17Å; S356-S358 PolarHBondContact O-N 3.49Å
357	T	96.8	Very high	91.7	Very high	20 Å²	20	64.2 Å²	64.2	12%	0.123	38%	0.383	C	S	.	.			trans	-66.9	128.6	175.7	-71.7	0	0	0	0	109.7	H350 Y354 P355 W359 C360	H350-T357 PolarHBondContact NE2-OG1 3.17Å; H350-T357 VanDerWaalsContact NE2-OG1 3.08Å; Y354-T357 WeakPolarHBondContact O-CB 3.21Å; Y354-T357 PolarHBondContact O-N 3.18Å; Y354-T357 PolarHBondContact O-OG1 3.29Å; P355-T357 VanDerWaalsContact C-N 3.34Å; T357-W359 VanDerWaalsContact C-N 3.27Å; T357-W359 HydrophobicContact CG2-CD2 3.92Å; T357-W359 VanDerWaalsContact CG2-CE2 3.41Å; T357-W359 HydrophobicContact CG2-CG 4.09Å; T357-W359 HydrophobicContact CG2-CZ2 3.83Å; T357-W359 VanDerWaalsContact CG2-NE1 3.3Å; T357-W359 PolarHBondContact O-N 2.91Å; T357-W359 VanDerWaalsContact O-N 3.1Å; T357-C360 VanDerWaalsContact O-CB 3.26Å; T357-C360 WeakPolarHBondContact O-CB 3.31Å; T357-C360 PolarHBondContact O-N 3.39Å
358	S	95.6	Very high	91.4	Very high	124 Å²	124	64.1 Å²	64.1	87%	0.867	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.8	-163.1	54	0	0	0	0	116.3	S356	S356-S358 PolarHBondContact O-N 3.49Å
359	W	95.8	Very high	91	Very high	96 Å²	96	68 Å²	68	36%	0.364	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.4	177	56.3	-106.2	0	0	0	113.6	D122 T123 F337 K347 H350 C351 T357	D122-W359 WeakPolarHBondContact O-CZ2 3.47Å; D122-W359 PolarHBondContact O-NE1 2.6Å; T123-W359 HydrophobicContact CG2-CH2 4.01Å; T123-W359 HydrophobicContact CG2-CZ2 4.07Å; F337-W359 AromaticContact CE2-CZ3 3.99Å; F337-W359 HydrophobicContact CE2-CZ3 3.99Å; F337-W359 HydrophobicContact CZ-CE3 4.03Å; F337-W359 AromaticContact CZ-CZ3 3.89Å; F337-W359 HydrophobicContact CZ-CZ3 3.89Å; K347-W359 HydrophobicContact CB-CH2 4.1Å; K347-W359 HydrophobicContact CB-CZ3 3.93Å; K347-W359 HydrophobicContact CG-CH2 4.23Å; K347-W359 HydrophobicContact CG-CZ3 4.22Å; H350-W359 HydrophobicContact CB-CH2 4.08Å; H350-W359 AromaticContact CD2-CH2 3.65Å; H350-W359 AromaticContact CD2-CZ2 3.5Å; C351-W359 WeakPolarHBondContact SG-CZ3 3.28Å; T357-W359 VanDerWaalsContact C-N 3.27Å; T357-W359 HydrophobicContact CG2-CD2 3.92Å; T357-W359 VanDerWaalsContact CG2-CE2 3.41Å; T357-W359 HydrophobicContact CG2-CG 4.09Å; T357-W359 HydrophobicContact CG2-CZ2 3.83Å; T357-W359 VanDerWaalsContact CG2-NE1 3.3Å; T357-W359 PolarHBondContact O-N 2.91Å; T357-W359 VanDerWaalsContact O-N 3.1Å
360	C	96.3	Very high	90.5	Very high	20 Å²	20	72.5 Å²	72.5	14%	0.135	44%	0.44	C	S	.	.	S	Bend	trans	-67.4	130	175.1	-73	0	0	0	0	110.2	C351 T357	C351-C360 WeakPolarHBondContact CA-SG 3.43Å; C351-C360 HydrophobicContact CB-CB 3.76Å; C351-C360 WeakPolarHBondContact CB-SG 3.25Å; C351-C360 WeakPolarHBondContact SG-CA 3.31Å; C351-C360 WeakPolarHBondContact SG-CB 3.13Å; C351-C360 CovalentContact SG-SG 2.03Å; C351-C360 PolarHBondContact SG-SG 3.45Å; T357-C360 VanDerWaalsContact O-CB 3.26Å; T357-C360 WeakPolarHBondContact O-CB 3.31Å; T357-C360 PolarHBondContact O-N 3.39Å
361	P	91.8	Very high	90	Very high	48 Å²	48	77.6 Å²	77.6	31%	0.312	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-61.6	151.6	174.7	-23	34.5	0	0	0	110.8	F337	F337-P361 HydrophobicContact CE1-CG 4.07Å; F337-P361 HydrophobicContact CE2-CG 4.27Å; F337-P361 VanDerWaalsContact CZ-CD 3.47Å; F337-P361 HydrophobicContact CZ-CG 3.85Å
362	P	82.1	Confident	89.4	Confident	109 Å²	109	81.8 Å²	81.8	71%	0.708	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-53.6	148	173.6	-23.8	33.7	0	0	0	111.6	T364	P362-T364 PolarHBondContact O-N 3.19Å
363	V	68.7	Low	88.9	Confident	137 Å²	137	83.8 Å²	83.8	83%	0.83	51%	0.512	S	S	*	.			trans	-69.2	112.1	168.8	-175.1	0	0	0	0	107.6
364	T	55.9	Low	88.2	Confident	191 Å²	191	88.1 Å²	88.1	100%	1.172	54%	0.541	S	S	*	.			trans	-81.9	0	175.4	56.1	0	0	0	0	111.9	P362	P362-T364 PolarHBondContact O-N 3.19Å

Retrieved 364 of 364 residues in 88.1 ms (Link to these results)

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