A0A077YYS6_TRITR Loading...

Beta-glucuronidase

Plays an important role in the degradation of dermatan and keratan sulfates.

AlphaFold DB , UniProt , Accession A0A077YYS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 577 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	32.2	Very low	27.1	Very low	238 Å²	238	165.6 Å²	165.6	100%	1.172	88%	0.881	S	S	*	*				0	76	0	-169.1	169.4	85.7	0	0	108.4
2	M	28.4	Very low	27.4	Very low	182 Å²	182	162.9 Å²	162.9	90%	0.897	87%	0.865	S	S	*	*			trans	159.6	110.9	170.8	-102.8	174.2	71.1	0	0	107.1
3	L	27	Very low	27.8	Very low	168 Å²	168	162.1 Å²	162.1	88%	0.88	86%	0.859	S	S	*	*			trans	162.7	76.4	151.5	-92.4	149	0	0	0	108.1
4	L	27	Very low	28.6	Very low	164 Å²	164	165 Å²	165	86%	0.859	85%	0.852	S	S	*	*			trans	-141.3	70	164.8	-111.8	146.6	0	0	0	107
5	T	25.8	Very low	29.8	Very low	111 Å²	111	158.9 Å²	158.9	68%	0.681	84%	0.836	S	S	*	*			trans	-140.6	74.6	173.2	46.7	0	0	0	0	107.2
6	F	26.3	Very low	31.2	Very low	212 Å²	212	152.9 Å²	152.9	93%	0.93	82%	0.824	S	S	*	*			trans	-170.1	70.1	157.5	-96.8	-68.6	0	0	0	109.1
7	L	26.2	Very low	32.5	Very low	167 Å²	167	147.6 Å²	147.6	87%	0.874	81%	0.806	S	S	*	*			trans	-141.7	60.3	164.1	-108.4	139.9	0	0	0	107.6
8	C	25	Very low	35.1	Very low	139 Å²	139	141.3 Å²	141.3	94%	0.939	77%	0.773	S	S	*	*			trans	-133.6	45.9	171.8	-134.1	0	0	0	0	109.6
9	A	25.4	Very low	38.2	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	74%	0.74	S	S	*	*	S	Bend	trans	-132.5	127.8	170.3	0	0	0	0	0	107.1
10	Q	27.5	Very low	41.1	Very low	185 Å²	185	130.7 Å²	130.7	86%	0.864	71%	0.711	S	S	*	*			trans	95.6	12.4	172.8	-51	-170.9	-14.1	0	0	120	L12	Q10-L12 PolarHBondContact O-N 3.18Å; Q10-L12 VanDerWaalsContact O-N 3.11Å
11	L	27	Very low	43.7	Very low	173 Å²	173	124.8 Å²	124.8	91%	0.906	68%	0.679	S	S	*	*			trans	-83.1	56.8	149.4	-82.9	158.3	0	0	0	109.2	I13	L11-I13 VanDerWaalsContact C-N 3.25Å; L11-I13 PolarHBondContact O-N 2.88Å
12	L	30.5	Very low	46.8	Very low	133 Å²	133	115.8 Å²	115.8	70%	0.696	63%	0.634	S	S	*	*			trans	-62.4	104.5	150.1	-94.8	151.9	0	0	0	103.5	Q10 R14 L411	Q10-L12 PolarHBondContact O-N 3.18Å; Q10-L12 VanDerWaalsContact O-N 3.11Å; L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.44Å; L12-L411 HydrophobicContact CD2-CD2 4.43Å
13	I	32.6	Very low	50	Low	152 Å²	152	113.4 Å²	113.4	78%	0.779	62%	0.621	S	S	*	*			trans	-43.3	105.2	164	-64.5	166.3	0	0	0	104.5	L11 A15	L11-I13 VanDerWaalsContact C-N 3.25Å; L11-I13 PolarHBondContact O-N 2.88Å; I13-A15 PolarHBondContact O-N 2.86Å
14	R	39.2	Very low	53.4	Low	203 Å²	203	106.7 Å²	106.7	77%	0.766	59%	0.587	S	S	*	*			trans	-65.6	78.9	164.3	-80.4	-175	178.1	-168.4	-1.4	104	L12 G16	L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 3.44Å; R14-G16 VanDerWaalsContact C-N 3.34Å; R14-G16 PolarHBondContact O-N 3.26Å
15	A	46.3	Very low	56.7	Low	74 Å²	74	104.1 Å²	104.1	61%	0.612	57%	0.571	S	S	*	*			trans	-47.2	117	147.3	0	0	0	0	0	102.7	I13 A17	I13-A15 PolarHBondContact O-N 2.86Å; A15-A17 PolarHBondContact O-N 2.94Å
16	G	52.6	Low	60.1	Low	63 Å²	63	100.3 Å²	100.3	65%	0.649	55%	0.547	S	S	*	.			trans	-65	72.4	-179.6	0	0	0	0	0	108.1	R14 T18	R14-G16 VanDerWaalsContact C-N 3.34Å; R14-G16 PolarHBondContact O-N 3.26Å; G16-T18 WeakPolarHBondContact O-CG2 3.14Å; G16-T18 PolarHBondContact O-N 3.42Å; G16-T18 VanDerWaalsContact O-N 3.09Å
17	A	53	Low	63.4	Low	62 Å²	62	90.9 Å²	90.9	51%	0.512	51%	0.506	S	S	.	.			trans	-62.8	112.3	179.2	0	0	0	0	0	104.7	A15	A15-A17 PolarHBondContact O-N 2.94Å
18	T	80.3	Confident	66.8	Low	34 Å²	34	86.7 Å²	86.7	21%	0.209	48%	0.482	C	S	.	.			trans	-114	120	-170.7	44.5	0	0	0	0	107.2	G16 R112 Q140	G16-T18 WeakPolarHBondContact O-CG2 3.14Å; G16-T18 PolarHBondContact O-N 3.42Å; G16-T18 VanDerWaalsContact O-N 3.09Å; T18-R112 PolarHBondContact OG1-NH1 3.26Å; T18-Q140 HydrophobicContact CG2-CG 3.63Å; T18-Q140 VanDerWaalsContact CG2-NE2 3.29Å
19	L	94	Very high	70.2	Confident	27 Å²	27	82.5 Å²	82.5	14%	0.141	45%	0.449	C	S	.	.			trans	-53.5	142.3	172.1	-69.1	177.5	0	0	0	110.1	V214 V217 Y309	L19-V214 HydrophobicContact CD1-CG1 3.97Å; L19-V217 HydrophobicContact CD1-CG1 4.23Å; L19-V217 HydrophobicContact CD2-CG1 3.77Å; L19-Y309 HydrophobicContact CB-CE2 4.07Å; L19-Y309 HydrophobicContact CD1-CD1 4.28Å; L19-Y309 HydrophobicContact CD1-CD2 4.47Å; L19-Y309 HydrophobicContact CD1-CE1 4.02Å; L19-Y309 HydrophobicContact CD1-CE2 4.22Å; L19-Y309 HydrophobicContact CD1-CG 4.49Å; L19-Y309 HydrophobicContact CD2-CE1 4.33Å
20	Y	96.4	Very high	73.6	Confident	44 Å²	44	82.3 Å²	82.3	17%	0.173	43%	0.433	C	S	.	.			trans	-57.2	132.7	172	-171.1	-94.3	0	0	0	109.3	F22 Y309 E379 E380 F383	Y20-F22 AromaticContact CD1-CD1 3.66Å; Y20-F22 HydrophobicContact CD1-CD1 3.66Å; Y20-F22 HydrophobicContact CD1-CD2 4.16Å; Y20-F22 AromaticContact CD1-CE1 3.46Å; Y20-F22 HydrophobicContact CD1-CE1 3.46Å; Y20-F22 VanDerWaalsContact CD1-CE1 3.46Å; Y20-F22 AromaticContact CD1-CE2 3.99Å; Y20-F22 HydrophobicContact CD1-CE2 3.99Å; Y20-F22 AromaticContact CD1-CG 3.99Å; Y20-F22 HydrophobicContact CD1-CG 3.99Å; Y20-F22 AromaticContact CD1-CZ 3.64Å; Y20-F22 HydrophobicContact CD1-CZ 3.64Å; Y20-F22 HydrophobicContact CE1-CD1 4.01Å; Y20-F22 AromaticContact CE1-CE1 3.83Å; Y20-F22 HydrophobicContact CE1-CE1 3.83Å; Y20-F22 HydrophobicContact CE1-CZ 4.39Å; Y20-F22 HydrophobicContact CG-CE1 4.48Å; Y20-F22 HydrophobicContact CG-CE2 4.44Å; Y20-F22 HydrophobicContact CG-CZ 4.25Å; Y20-F22 PolarHBondContact O-N 3.35Å; Y20-Y309 WeakPolarHBondContact O-CE2 3.37Å; Y20-Y309 PolarHBondContact O-OH 2.95Å; Y20-E379 HydrophobicContact CD2-CB 3.84Å; Y20-E379 HydrophobicContact CD2-CG 4.33Å; Y20-E379 HydrophobicContact CE2-CB 4.08Å; Y20-E380 WeakPolarHBondContact CE2-OE1 3.27Å; Y20-E380 PolarHBondContact OH-OE1 2.82Å; Y20-F383 AromaticContact CD1-CE2 3.75Å; Y20-F383 HydrophobicContact CD1-CE2 3.75Å; Y20-F383 HydrophobicContact CD1-CZ 4.21Å; Y20-F383 AromaticContact CD2-CE2 3.79Å; Y20-F383 HydrophobicContact CD2-CE2 3.79Å; Y20-F383 HydrophobicContact CD2-CZ 4.1Å; Y20-F383 AromaticContact CE1-CE2 4Å; Y20-F383 HydrophobicContact CE1-CE2 4Å; Y20-F383 HydrophobicContact CE2-CE2 4.03Å; Y20-F383 AromaticContact CG-CE2 3.62Å; Y20-F383 HydrophobicContact CG-CE2 3.62Å; Y20-F383 AromaticContact CG-CZ 3.77Å; Y20-F383 HydrophobicContact CG-CZ 3.77Å
21	P	95.8	Very high	77	Confident	6 Å²	6	76.5 Å²	76.5	4%	0.039	41%	0.412	C	S	.	.			trans	-77.5	59.9	-170.1	31.4	-36.9	0	0	0	113	E23 M29 V205 Y207	P21-E23 PolarHBondContact O-N 3.32Å; P21-M29 HydrophobicContact CB-CE 4.1Å; P21-M29 HydrophobicContact CG-CE 3.79Å; P21-M29 WeakPolarHBondContact O-CE 2.96Å; P21-V205 HydrophobicContact CG-CG2 4.16Å; P21-Y207 HydrophobicContact CB-CD1 3.93Å; P21-Y207 HydrophobicContact CB-CD2 3.78Å; P21-Y207 HydrophobicContact CB-CE1 4.1Å; P21-Y207 HydrophobicContact CB-CE2 3.96Å; P21-Y207 HydrophobicContact CB-CG 3.75Å
22	F	95.8	Very high	80.4	Confident	49 Å²	49	68.5 Å²	68.5	22%	0.215	37%	0.371	C	S	.	.			trans	-56.7	135.6	175	-65.5	-65.4	0	0	0	111.7	Y20 Y309 H310 F383	Y20-F22 AromaticContact CD1-CD1 3.66Å; Y20-F22 HydrophobicContact CD1-CD1 3.66Å; Y20-F22 HydrophobicContact CD1-CD2 4.16Å; Y20-F22 AromaticContact CD1-CE1 3.46Å; Y20-F22 HydrophobicContact CD1-CE1 3.46Å; Y20-F22 VanDerWaalsContact CD1-CE1 3.46Å; Y20-F22 AromaticContact CD1-CE2 3.99Å; Y20-F22 HydrophobicContact CD1-CE2 3.99Å; Y20-F22 AromaticContact CD1-CG 3.99Å; Y20-F22 HydrophobicContact CD1-CG 3.99Å; Y20-F22 AromaticContact CD1-CZ 3.64Å; Y20-F22 HydrophobicContact CD1-CZ 3.64Å; Y20-F22 HydrophobicContact CE1-CD1 4.01Å; Y20-F22 AromaticContact CE1-CE1 3.83Å; Y20-F22 HydrophobicContact CE1-CE1 3.83Å; Y20-F22 HydrophobicContact CE1-CZ 4.39Å; Y20-F22 HydrophobicContact CG-CE1 4.48Å; Y20-F22 HydrophobicContact CG-CE2 4.44Å; Y20-F22 HydrophobicContact CG-CZ 4.25Å; Y20-F22 PolarHBondContact O-N 3.35Å; F22-Y309 HydrophobicContact CD2-CE1 4.45Å; F22-Y309 HydrophobicContact CD2-CE2 4.02Å; F22-Y309 AromaticContact CD2-CZ 3.7Å; F22-Y309 VanDerWaalsContact CD2-OH 3.29Å; F22-Y309 WeakPolarHBondContact CD2-OH 3.49Å; F22-H310 WeakPolarHBondContact CD2-O 3.31Å; F22-F383 HydrophobicContact CE1-CD2 4.39Å; F22-F383 HydrophobicContact CE1-CE2 4.05Å; F22-F383 HydrophobicContact CE1-CZ 4.48Å; F22-F383 HydrophobicContact CE2-CZ 4.32Å; F22-F383 HydrophobicContact CZ-CD2 4.18Å; F22-F383 HydrophobicContact CZ-CE1 4.15Å; F22-F383 AromaticContact CZ-CE2 3.65Å; F22-F383 HydrophobicContact CZ-CE2 3.65Å; F22-F383 AromaticContact CZ-CZ 3.63Å; F22-F383 HydrophobicContact CZ-CZ 3.63Å
23	E	97.3	Very high	83.6	Confident	133 Å²	133	64.4 Å²	64.4	62%	0.621	35%	0.349	S	S	*	.			trans	-64.9	144.2	167.7	-65	-172.4	104.9	0	0	110.2	P21 R27 M29	P21-E23 PolarHBondContact O-N 3.32Å; E23-R27 WeakPolarHBondContact CA-O 3.23Å; E23-M29 HydrophobicContact CG-CB 3.8Å
24	S	97.3	Very high	86.8	Confident	26 Å²	26	58.7 Å²	58.7	18%	0.182	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-153.1	-178.1	179.6	77.1	0	0	0	0	110.6	T26 R27 V308	S24-T26 PolarHBondContact O-N 3.25Å; S24-T26 PolarHBondContact OG-N 2.92Å; S24-T26 PolarHBondContact OG-OG1 3.14Å; S24-R27 PolarHBondContact N-O 3.48Å; S24-R27 PolarHBondContact O-N 3.24Å; S24-R27 VanDerWaalsContact O-O 3.13Å; S24-R27 WeakPolarHBondContact OG-CB 3.45Å; S24-R27 WeakPolarHBondContact OG-CG 3.43Å; S24-R27 PolarHBondContact OG-N 3.36Å; S24-V308 VanDerWaalsContact CB-O 3.29Å; S24-V308 WeakPolarHBondContact CB-O 3.44Å; S24-V308 PolarHBondContact OG-O 3.39Å
25	E	96.2	Very high	89.6	Confident	111 Å²	111	54.2 Å²	54.2	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.9	174.3	-55.7	95.9	127.2	0	0	113.3	R295 V308 H310	E25-R295 IonicContact OE1-CZ 2.93Å; E25-R295 IonicContact OE1-NE 2.78Å; E25-R295 IonicContact OE1-NH2 3.78Å; E25-R295 PolarHBondContact OE1-NH2 3.42Å; E25-V308 HydrophobicContact CB-CG2 4.49Å; E25-V308 WeakPolarHBondContact OE2-CG1 3.43Å; E25-H310 IonicContact OE1-CE1 3.9Å; E25-H310 IonicContact OE1-NE2 3.54Å; E25-H310 IonicContact OE2-CD2 2.77Å; E25-H310 IonicContact OE2-CE1 2.68Å; E25-H310 IonicContact OE2-NE2 3.31Å; E25-H310 PolarHBondContact OE2-NE2 2.72Å
26	T	96.5	Very high	92.1	Very high	30 Å²	30	50.8 Å²	50.8	18%	0.184	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-0.7	-175.5	60.2	0	0	0	0	113.9	S24 P210 I305 D307 V308	S24-T26 PolarHBondContact O-N 3.25Å; S24-T26 PolarHBondContact OG-N 2.92Å; S24-T26 PolarHBondContact OG-OG1 3.14Å; T26-P210 WeakPolarHBondContact O-CD 3.5Å; T26-I305 HydrophobicContact CG2-CG2 3.99Å; T26-D307 WeakPolarHBondContact OG1-CA 3.48Å; T26-D307 PolarHBondContact OG1-OD1 3.38Å; T26-V308 HydrophobicContact CG2-CG2 4.19Å; T26-V308 PolarHBondContact OG1-N 2.87Å
27	R	97.1	Very high	94.3	Very high	14 Å²	14	48.3 Å²	48.3	5%	0.053	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-130.4	128.2	-174.6	-59.2	-179.2	179.3	-148.8	1.3	110.1	E23 S24 S208 V209 V214 D307 Y309	E23-R27 WeakPolarHBondContact CA-O 3.23Å; S24-R27 PolarHBondContact N-O 3.48Å; S24-R27 PolarHBondContact O-N 3.24Å; S24-R27 VanDerWaalsContact O-O 3.13Å; S24-R27 WeakPolarHBondContact OG-CB 3.45Å; S24-R27 WeakPolarHBondContact OG-CG 3.43Å; S24-R27 PolarHBondContact OG-N 3.36Å; R27-S208 WeakPolarHBondContact CA-O 3.23Å; R27-V209 HydrophobicContact CG-CG1 4.22Å; R27-V214 PolarHBondContact NH2-O 3.2Å; R27-D307 IonicContact CZ-OD1 2.68Å; R27-D307 IonicContact CZ-OD2 3.15Å; R27-D307 IonicContact NE-OD1 3.74Å; R27-D307 PolarHBondContact NE-OD1 2.85Å; R27-D307 IonicContact NE-OD2 2.78Å; R27-D307 IonicContact NH2-OD1 3.28Å; R27-D307 IonicContact NH2-OD2 2.75Å; R27-D307 PolarHBondContact NH2-OD2 3.22Å; R27-Y309 VanDerWaalsContact NH1-CD2 3.28Å
28	E	96.8	Very high	96.5	Very high	79 Å²	79	45.4 Å²	45.4	37%	0.369	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.6	-179.9	-60	166.1	-141.3	0	0	109.8	W102 K107 Y207 S208	E28-W102 HydrophobicContact CB-CH2 4.41Å; E28-W102 HydrophobicContact CB-CZ2 3.69Å; E28-W102 WeakPolarHBondContact O-CH2 3.25Å; E28-W102 PolarHBondContact OE2-NE1 3.05Å; E28-K107 IonicContact OE1-NZ 2.7Å; E28-K107 PolarHBondContact OE1-NZ 3.01Å; E28-Y207 CarbonylContact O-C 3.59Å; E28-Y207 VanDerWaalsContact O-CA 3.23Å; E28-Y207 WeakPolarHBondContact O-CA 3.37Å; E28-Y207 WeakPolarHBondContact O-CB 2.84Å; E28-S208 PolarHBondContact N-O 3.4Å; E28-S208 PolarHBondContact O-N 2.82Å
29	M	96.5	Very high	97.3	Very high	52 Å²	52	43.8 Å²	43.8	26%	0.256	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.4	176.9	-169.3	-162.2	-64.8	0	0	111.4	P21 E23 V205	P21-M29 HydrophobicContact CB-CE 4.1Å; P21-M29 HydrophobicContact CG-CE 3.79Å; P21-M29 WeakPolarHBondContact O-CE 2.96Å; E23-M29 HydrophobicContact CG-CB 3.8Å; M29-V205 HydrophobicContact CG-CB 4.06Å; M29-V205 HydrophobicContact CG-CG1 4.31Å; M29-V205 HydrophobicContact SD-CB 4.19Å; M29-V205 HydrophobicContact SD-CG1 3.82Å
30	K	97.5	Very high	97.5	Very high	79 Å²	79	43.4 Å²	43.4	34%	0.343	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.2	168.3	179.3	174.4	-176.7	141	0	109.8	F97 I98 W102 V205 L206	K30-F97 WeakPolarHBondContact CE-O 3.45Å; K30-F97 PolarHBondContact NZ-O 3.39Å; K30-I98 HydrophobicContact CD-CD1 4.03Å; K30-W102 HydrophobicContact CB-CH2 4.27Å; K30-V205 WeakPolarHBondContact O-CA 3.29Å; K30-L206 PolarHBondContact N-O 2.84Å; K30-L206 PolarHBondContact O-N 2.8Å
31	S	98.1	Very high	97.4	Very high	62 Å²	62	41.5 Å²	41.5	43%	0.434	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.8	170	177.4	0	0	0	0	111.3	D33	S31-D33 VanDerWaalsContact OG-CB 3.27Å; S31-D33 WeakPolarHBondContact OG-CB 3.44Å; S31-D33 PolarHBondContact OG-N 3.34Å; S31-D33 VanDerWaalsContact OG-N 3.08Å; S31-D33 PolarHBondContact OG-OD2 2.97Å; S31-D33 VanDerWaalsContact OG-OD2 3.13Å
32	L	98.6	Very high	97.3	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	25%	0.253	C	S	.	.			trans	-111.2	14.4	170.7	-59.6	-176.1	0	0	0	111.7	W36 F96 L111 L155 V204 L206	L32-W36 HydrophobicContact CB-CZ2 4.39Å; L32-W36 PolarHBondContact O-NE1 2.93Å; L32-F96 HydrophobicContact CD2-CB 3.98Å; L32-F96 HydrophobicContact CD2-CD1 4.39Å; L32-F96 HydrophobicContact CD2-CD2 3.98Å; L32-F96 HydrophobicContact CD2-CG 3.84Å; L32-L111 HydrophobicContact CD1-CD1 4.01Å; L32-L155 HydrophobicContact CD1-CD2 3.83Å; L32-V204 WeakPolarHBondContact CA-O 3.37Å; L32-V204 HydrophobicContact CB-CB 4.16Å; L32-V204 HydrophobicContact CB-CG1 4.14Å; L32-V204 WeakPolarHBondContact CB-O 3.48Å; L32-V204 HydrophobicContact CD1-CG1 4.17Å; L32-V204 PolarHBondContact N-O 2.67Å; L32-L206 HydrophobicContact CD1-CD1 3.91Å; L32-L206 HydrophobicContact CD1-CG 3.95Å; L32-L206 HydrophobicContact CD2-CD1 4.3Å; L32-L206 HydrophobicContact CG-CD1 4.47Å
33	D	98.6	Very high	96.9	Very high	46 Å²	46	47.8 Å²	47.8	25%	0.246	25%	0.253	C	S	.	.			trans	-64.8	170.1	174.7	-60.7	-18.7	0	0	0	111.3	S31 V70 S203 V204	S31-D33 VanDerWaalsContact OG-CB 3.27Å; S31-D33 WeakPolarHBondContact OG-CB 3.44Å; S31-D33 PolarHBondContact OG-N 3.34Å; S31-D33 VanDerWaalsContact OG-N 3.08Å; S31-D33 PolarHBondContact OG-OD2 2.97Å; S31-D33 VanDerWaalsContact OG-OD2 3.13Å; D33-V70 WeakPolarHBondContact CA-O 3.48Å; D33-V70 WeakPolarHBondContact CB-O 3.43Å; D33-S203 WeakPolarHBondContact OD1-CA 3.4Å; D33-S203 WeakPolarHBondContact OD1-CB 3.4Å; D33-S203 VanDerWaalsContact OD2-CB 3.22Å; D33-S203 WeakPolarHBondContact OD2-CB 3.26Å; D33-S203 PolarHBondContact OD2-OG 2.84Å; D33-V204 PolarHBondContact OD1-N 2.86Å
34	G	98.2	Very high	96.3	Very high	33 Å²	33	43.9 Å²	43.9	34%	0.34	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	110.7	-146.3	-178.4	0	0	0	0	0	112	V70	G34-V70 PolarHBondContact N-O 3.41Å; G34-V70 PolarHBondContact O-N 3.33Å
35	I	98.5	Very high	95.8	Very high	109 Å²	109	43.7 Å²	43.7	56%	0.559	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.8	-171	-55.7	175.4	0	0	0	110.9	R67 K94	I35-R67 HydrophobicContact CG2-CB 3.67Å; I35-R67 HydrophobicContact CG2-CG 4.18Å; I35-K94 WeakPolarHBondContact O-CD 3.46Å; I35-K94 PolarHBondContact O-NZ 2.85Å
36	W	98.8	Very high	95.3	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.1	177.7	-70.6	53.7	0	0	0	110.1	L32 R67 L68 V70 Y92 K94 L155 V157 I200 V204	L32-W36 HydrophobicContact CB-CZ2 4.39Å; L32-W36 PolarHBondContact O-NE1 2.93Å; W36-R67 WeakPolarHBondContact O-CA 3.14Å; W36-L68 PolarHBondContact N-O 2.75Å; W36-L68 PolarHBondContact O-N 3Å; W36-V70 HydrophobicContact CB-CG2 4.25Å; W36-V70 HydrophobicContact CD2-CG2 4.16Å; W36-V70 HydrophobicContact CG-CB 4.35Å; W36-V70 HydrophobicContact CG-CG2 3.79Å; W36-Y92 HydrophobicContact CB-CD1 4.24Å; W36-K94 HydrophobicContact CD2-CB 3.43Å; W36-K94 VanDerWaalsContact CD2-CB 3.43Å; W36-K94 HydrophobicContact CD2-CD 4.42Å; W36-K94 HydrophobicContact CD2-CG 4.16Å; W36-K94 HydrophobicContact CE3-CB 3.49Å; W36-K94 VanDerWaalsContact CE3-CB 3.49Å; W36-K94 HydrophobicContact CG-CB 4.01Å; W36-K94 HydrophobicContact CG-CD 4.24Å; W36-K94 HydrophobicContact CG-CG 4.49Å; W36-K94 HydrophobicContact CH2-CB 3.99Å; W36-K94 HydrophobicContact CZ2-CB 3.85Å; W36-K94 HydrophobicContact CZ2-CG 4.19Å; W36-K94 HydrophobicContact CZ3-CB 3.79Å; W36-L155 HydrophobicContact CH2-CD2 3.5Å; W36-L155 VanDerWaalsContact CH2-CD2 3.5Å; W36-L155 HydrophobicContact CH2-CG 3.91Å; W36-L155 HydrophobicContact CZ2-CD2 4.34Å; W36-L155 HydrophobicContact CZ3-CD2 4.21Å; W36-L155 HydrophobicContact CZ3-CG 4.1Å; W36-V157 HydrophobicContact CH2-CG2 4.37Å; W36-V157 HydrophobicContact CZ3-CG2 3.94Å; W36-I200 HydrophobicContact CZ3-CD1 4.42Å; W36-V204 HydrophobicContact CH2-CG1 4.32Å; W36-V204 HydrophobicContact CH2-CG2 4.45Å; W36-V204 HydrophobicContact CZ2-CB 4.2Å; W36-V204 HydrophobicContact CZ2-CG1 4.26Å; W36-V204 HydrophobicContact CZ2-CG2 4.11Å
37	C	98.7	Very high	95	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	140	166.3	-55.8	0	0	0	0	109.3	I59 C60 T66 R67 Y92 Q93	C37-I59 HydrophobicContact CB-CG1 4.23Å; C37-C60 HydrophobicContact CB-CB 3.88Å; C37-C60 WeakPolarHBondContact CB-SG 3.16Å; C37-C60 WeakPolarHBondContact SG-CB 3.33Å; C37-C60 CovalentContact SG-SG 2.01Å; C37-C60 PolarHBondContact SG-SG 2.83Å; C37-T66 WeakPolarHBondContact CA-O 3.38Å; C37-R67 PolarHBondContact SG-NH1 3.06Å; C37-Y92 CarbonylContact O-C 3.58Å; C37-Y92 VanDerWaalsContact O-CA 3.26Å; C37-Y92 WeakPolarHBondContact O-CA 3.39Å; C37-Q93 HydrophobicContact CB-CB 4.33Å; C37-Q93 PolarHBondContact N-O 2.9Å; C37-Q93 PolarHBondContact O-N 2.92Å
38	F	98.8	Very high	95	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.8	-174.9	179.7	-91.4	0	0	0	111.3	S65 T66 L68 Y74 L83 V90 W91 Y92	F38-S65 WeakPolarHBondContact O-CA 3.45Å; F38-T66 HydrophobicContact CB-CG2 4.1Å; F38-T66 HydrophobicContact CD1-CG2 3.78Å; F38-T66 HydrophobicContact CG-CG2 4.41Å; F38-T66 PolarHBondContact N-O 3.34Å; F38-T66 PolarHBondContact O-N 3.2Å; F38-L68 HydrophobicContact CB-CB 4.28Å; F38-L68 HydrophobicContact CB-CD1 3.97Å; F38-L68 HydrophobicContact CB-CG 3.79Å; F38-L68 HydrophobicContact CD1-CD1 3.67Å; F38-L68 HydrophobicContact CD1-CG 4.15Å; F38-L68 HydrophobicContact CD2-CD1 3.46Å; F38-L68 VanDerWaalsContact CD2-CD1 3.46Å; F38-L68 HydrophobicContact CD2-CG 4.24Å; F38-L68 HydrophobicContact CE1-CD1 3.92Å; F38-L68 HydrophobicContact CE2-CD1 3.69Å; F38-L68 HydrophobicContact CG-CD1 3.41Å; F38-L68 VanDerWaalsContact CG-CD1 3.41Å; F38-L68 HydrophobicContact CG-CG 3.81Å; F38-L68 HydrophobicContact CZ-CD1 3.91Å; F38-Y74 HydrophobicContact CE2-CD1 4.37Å; F38-Y74 HydrophobicContact CE2-CG 4.28Å; F38-Y74 HydrophobicContact CZ-CD1 4.46Å; F38-Y74 HydrophobicContact CZ-CD2 4.42Å; F38-Y74 HydrophobicContact CZ-CG 4.07Å; F38-L83 HydrophobicContact CE1-CD1 4.22Å; F38-L83 HydrophobicContact CE1-CD2 3.88Å; F38-L83 HydrophobicContact CZ-CD2 4.44Å; F38-V90 HydrophobicContact CE2-CB 3.63Å; F38-V90 HydrophobicContact CE2-CG1 4.23Å; F38-V90 HydrophobicContact CE2-CG2 3.82Å; F38-V90 HydrophobicContact CZ-CB 3.67Å; F38-V90 HydrophobicContact CZ-CG1 3.78Å; F38-V90 HydrophobicContact CZ-CG2 4.22Å; F38-W91 CarbonylContact C-O 3.55Å; F38-W91 VanDerWaalsContact CA-O 3.25Å; F38-W91 WeakPolarHBondContact CA-O 3.48Å; F38-Y92 AromaticContact CD2-CD1 3.86Å; F38-Y92 HydrophobicContact CD2-CD1 3.86Å; F38-Y92 HydrophobicContact CD2-CD2 4.21Å; F38-Y92 AromaticContact CD2-CE1 3.59Å; F38-Y92 HydrophobicContact CD2-CE1 3.59Å; F38-Y92 AromaticContact CD2-CE2 3.96Å; F38-Y92 HydrophobicContact CD2-CE2 3.96Å; F38-Y92 HydrophobicContact CD2-CG 4.16Å; F38-Y92 AromaticContact CD2-CZ 3.64Å; F38-Y92 HydrophobicContact CE2-CD2 4.39Å; F38-Y92 HydrophobicContact CE2-CE1 4.03Å; F38-Y92 AromaticContact CE2-CE2 3.78Å; F38-Y92 HydrophobicContact CE2-CE2 3.78Å; F38-Y92 AromaticContact CE2-CZ 3.59Å
39	V	98.3	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130	172.9	177.6	0	0	0	0	108.3	W54 I59 F62 W91	V39-W54 HydrophobicContact CB-CZ3 4.37Å; V39-W54 HydrophobicContact CG1-CE3 4.47Å; V39-W54 HydrophobicContact CG1-CH2 3.83Å; V39-W54 HydrophobicContact CG1-CZ3 3.61Å; V39-I59 HydrophobicContact CG2-CB 4.1Å; V39-I59 HydrophobicContact CG2-CD1 4.38Å; V39-I59 HydrophobicContact CG2-CG1 4.45Å; V39-F62 HydrophobicContact CG1-CD2 4.4Å; V39-F62 HydrophobicContact CG2-CB 4.3Å; V39-F62 HydrophobicContact CG2-CD2 4.13Å; V39-W91 PolarHBondContact N-O 2.68Å; V39-W91 PolarHBondContact O-N 2.93Å
40	S	97	Very high	95	Very high	19 Å²	19	50 Å²	50	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	142.4	166.1	56.2	0	0	0	0	110.3	L83	S40-L83 VanDerWaalsContact CB-CD2 3.45Å; S40-L83 VanDerWaalsContact OG-CD2 3.3Å; S40-L83 WeakPolarHBondContact OG-CD2 3.3Å
41	E	95.8	Very high	95	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.019	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-71.8	170.5	159.6	-60.6	-170.8	-162.7	0	0	110.1	S45 Y48 G49 W54 H86 W89 W91	E41-S45 WeakPolarHBondContact CB-OG 3.46Å; E41-S45 WeakPolarHBondContact OE2-CB 3.49Å; E41-S45 PolarHBondContact OE2-OG 3.25Å; E41-Y48 VanDerWaalsContact OE2-CB 3.3Å; E41-Y48 WeakPolarHBondContact OE2-CB 3.1Å; E41-Y48 PolarHBondContact OE2-N 3.12Å; E41-G49 VanDerWaalsContact CD-N 3.25Å; E41-G49 VanDerWaalsContact OE1-CA 3.25Å; E41-G49 WeakPolarHBondContact OE1-CA 3.11Å; E41-G49 PolarHBondContact OE1-N 2.77Å; E41-G49 PolarHBondContact OE2-N 3.08Å; E41-W54 HydrophobicContact CG-CH2 3.98Å; E41-W54 HydrophobicContact CG-CZ3 3.73Å; E41-H86 PolarHBondContact O-CE1 2.8Å; E41-W89 HydrophobicContact CB-CB 4.42Å; E41-W89 WeakPolarHBondContact CB-O 3.1Å; E41-W89 HydrophobicContact CG-CB 4Å; E41-W89 PolarHBondContact N-O 2.76Å; E41-W91 PolarHBondContact OE1-NE1 2.95Å
42	E	91.9	Very high	94.9	Very high	155 Å²	155	52.6 Å²	52.6	72%	0.724	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-53.3	145.1	160.3	-71.8	-84.5	161.5	0	0	109.2	N44 S45	E42-N44 PolarHBondContact O-N 3.48Å; E42-S45 VanDerWaalsContact O-CB 3.3Å; E42-S45 WeakPolarHBondContact O-CB 3.31Å; E42-S45 PolarHBondContact O-N 3.34Å; E42-S45 PolarHBondContact O-OG 2.81Å
43	S	88.8	Confident	94.9	Very high	31 Å²	31	57.7 Å²	57.7	22%	0.217	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	141.4	178	-55.9	0	0	0	0	110.7	S45 F82 H86 V87	S43-S45 PolarHBondContact O-N 2.95Å; S43-F82 VanDerWaalsContact OG-CE2 3.24Å; S43-F82 WeakPolarHBondContact OG-CE2 3.35Å; S43-H86 PolarHBondContact OG-ND1 3.47Å; S43-V87 CarbonylContact C-O 3.6Å; S43-V87 WeakPolarHBondContact CA-O 3.31Å
44	N	84.3	Confident	94.9	Very high	52 Å²	52	56.3 Å²	56.3	28%	0.278	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	28	-174.6	-164.3	30.8	0	0	0	114.7	E42 V87 F173 H175 F186	E42-N44 PolarHBondContact O-N 3.48Å; N44-V87 PolarHBondContact N-O 3.19Å; N44-F173 HydrophobicContact CB-CZ 4.14Å; N44-F173 VanDerWaalsContact CG-CZ 3.47Å; N44-F173 WeakPolarHBondContact OD1-CZ 3.43Å; N44-H175 PolarHBondContact ND2-CE1 3.06Å; N44-H175 PolarHBondContact ND2-NE2 3.08Å; N44-F186 HydrophobicContact CB-CD1 3.52Å; N44-F186 HydrophobicContact CB-CE1 3.41Å; N44-F186 VanDerWaalsContact CB-CE1 3.41Å; N44-F186 HydrophobicContact CB-CG 4.22Å; N44-F186 HydrophobicContact CB-CZ 4.05Å
45	S	87.6	Confident	94.9	Very high	21 Å²	21	56.3 Å²	56.3	15%	0.147	27%	0.268	C	S	.	.			trans	-63.8	136.1	172.4	61.4	0	0	0	0	111.9	E41 E42 S43 F47	E41-S45 WeakPolarHBondContact CB-OG 3.46Å; E41-S45 WeakPolarHBondContact OE2-CB 3.49Å; E41-S45 PolarHBondContact OE2-OG 3.25Å; E42-S45 VanDerWaalsContact O-CB 3.3Å; E42-S45 WeakPolarHBondContact O-CB 3.31Å; E42-S45 PolarHBondContact O-N 3.34Å; E42-S45 PolarHBondContact O-OG 2.81Å; S43-S45 PolarHBondContact O-N 2.95Å; S45-F47 VanDerWaalsContact C-N 3.27Å; S45-F47 PolarHBondContact O-N 3.35Å
46	E	85.3	Confident	94.8	Very high	147 Å²	147	57.1 Å²	57.1	69%	0.687	27%	0.269	S	S	*	.	S	Bend	trans	-77.5	74.7	172.6	-67	-172.8	172.9	0	0	111.6	Y48 K51	E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-Y48 PolarHBondContact O-N 3.32Å; E46-K51 WeakPolarHBondContact O-CD 3.29Å; E46-K51 WeakPolarHBondContact O-CE 3.32Å; E46-K51 PolarHBondContact O-NZ 3.16Å; E46-K51 IonicContact OE2-NZ 3.4Å; E46-K51 PolarHBondContact OE2-NZ 3.34Å
47	F	90.6	Very high	94.8	Very high	109 Å²	109	63.3 Å²	63.3	48%	0.478	29%	0.292	S	S	.	.	S	Bend	trans	56.8	39.7	172.7	-53.7	-91.7	0	0	0	113.3	S45 G49 M50 K51 W89	S45-F47 VanDerWaalsContact C-N 3.27Å; S45-F47 PolarHBondContact O-N 3.35Å; F47-G49 VanDerWaalsContact C-N 3.34Å; F47-G49 PolarHBondContact O-N 3.43Å; F47-M50 HydrophobicContact CB-CB 4.23Å; F47-M50 HydrophobicContact CB-SD 3.95Å; F47-M50 HydrophobicContact CD1-SD 3.91Å; F47-M50 HydrophobicContact CG-SD 4.44Å; F47-M50 PolarHBondContact O-N 3.24Å; F47-K51 WeakPolarHBondContact O-CB 3.36Å; F47-K51 WeakPolarHBondContact O-CG 3.23Å; F47-K51 PolarHBondContact O-N 3.28Å; F47-W89 AromaticContact CD1-CE2 3.8Å; F47-W89 AromaticContact CD1-CZ2 3.89Å; F47-W89 HydrophobicContact CD1-CZ2 3.89Å; F47-W89 AromaticContact CD1-NE1 3.48Å; F47-W89 AromaticContact CE1-CE2 3.84Å; F47-W89 AromaticContact CE1-CZ2 3.53Å; F47-W89 HydrophobicContact CE1-CZ2 3.53Å; F47-W89 AromaticContact CE1-NE1 3.68Å
48	Y	95.7	Very high	94.7	Very high	130 Å²	130	65.5 Å²	65.5	51%	0.51	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-44.7	-172.7	178.7	-89	0	0	0	111.5	E41 E46 M50 K51 N52 W54	E41-Y48 VanDerWaalsContact OE2-CB 3.3Å; E41-Y48 WeakPolarHBondContact OE2-CB 3.1Å; E41-Y48 PolarHBondContact OE2-N 3.12Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-Y48 PolarHBondContact O-N 3.32Å; Y48-M50 VanDerWaalsContact C-N 3.35Å; Y48-M50 PolarHBondContact O-N 2.93Å; Y48-K51 PolarHBondContact O-N 2.94Å; Y48-N52 WeakPolarHBondContact CD2-ND2 3.4Å; Y48-N52 WeakPolarHBondContact CE1-ND2 3.35Å; Y48-N52 VanDerWaalsContact CE2-ND2 3.33Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.43Å; Y48-N52 VanDerWaalsContact CZ-ND2 3.29Å; Y48-N52 WeakPolarHBondContact O-CB 3.38Å; Y48-N52 PolarHBondContact O-N 2.81Å; Y48-N52 PolarHBondContact O-ND2 2.92Å; Y48-W54 HydrophobicContact CD1-CH2 4.19Å; Y48-W54 AromaticContact CD1-CZ2 3.54Å; Y48-W54 HydrophobicContact CD1-CZ2 3.54Å; Y48-W54 HydrophobicContact CE1-CH2 4.49Å; Y48-W54 AromaticContact CE1-CZ2 3.54Å; Y48-W54 HydrophobicContact CE1-CZ2 3.54Å
49	G	96.8	Very high	94.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-35.8	179.6	0	0	0	0	0	112.5	E41 F47 N52 K53 W54	E41-G49 VanDerWaalsContact CD-N 3.25Å; E41-G49 VanDerWaalsContact OE1-CA 3.25Å; E41-G49 WeakPolarHBondContact OE1-CA 3.11Å; E41-G49 PolarHBondContact OE1-N 2.77Å; E41-G49 PolarHBondContact OE2-N 3.08Å; F47-G49 VanDerWaalsContact C-N 3.34Å; F47-G49 PolarHBondContact O-N 3.43Å; G49-N52 CarbonylContact O-C 3.53Å; G49-K53 PolarHBondContact O-N 3.42Å; G49-W54 PolarHBondContact O-N 2.77Å
50	M	96.8	Very high	94.7	Very high	32 Å²	32	66.5 Å²	66.5	16%	0.158	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-45.9	173.6	-64	83.5	-177.6	0	0	111.3	F47 Y48 N52 K53 W89 W91 I121 W123 A158	F47-M50 HydrophobicContact CB-CB 4.23Å; F47-M50 HydrophobicContact CB-SD 3.95Å; F47-M50 HydrophobicContact CD1-SD 3.91Å; F47-M50 HydrophobicContact CG-SD 4.44Å; F47-M50 PolarHBondContact O-N 3.24Å; Y48-M50 VanDerWaalsContact C-N 3.35Å; Y48-M50 PolarHBondContact O-N 2.93Å; M50-N52 VanDerWaalsContact C-N 3.25Å; M50-N52 PolarHBondContact O-N 2.75Å; M50-K53 PolarHBondContact O-N 2.89Å; M50-W89 HydrophobicContact CE-CD2 3.43Å; M50-W89 VanDerWaalsContact CE-CD2 3.43Å; M50-W89 HydrophobicContact CE-CE3 3.3Å; M50-W89 HydrophobicContact CE-CG 4.14Å; M50-W89 HydrophobicContact CE-CH2 3.85Å; M50-W89 HydrophobicContact CE-CZ2 3.96Å; M50-W89 HydrophobicContact CE-CZ3 3.51Å; M50-W89 HydrophobicContact SD-CD2 4.21Å; M50-W89 HydrophobicContact SD-CG 4.42Å; M50-W91 HydrophobicContact CE-CH2 4.07Å; M50-W91 HydrophobicContact CE-CZ2 3.72Å; M50-W91 HydrophobicContact CG-CH2 3.98Å; M50-W91 HydrophobicContact CG-CZ2 4.03Å; M50-W91 HydrophobicContact SD-CH2 4.1Å; M50-W91 HydrophobicContact SD-CZ2 3.57Å; M50-W91 VanDerWaalsContact SD-CZ2 3.57Å; M50-I121 HydrophobicContact CE-CD1 4.01Å; M50-W123 HydrophobicContact CE-CH2 4.35Å; M50-W123 HydrophobicContact CG-CH2 4.35Å; M50-A158 HydrophobicContact CE-CB 3.5Å; M50-A158 VanDerWaalsContact CE-CB 3.5Å
51	K	97	Very high	94.7	Very high	128 Å²	128	72.2 Å²	72.2	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-57.9	-39.5	177.4	-74.8	171.6	178	165.1	0	111.1	E46 F47 Y48 K53	E46-K51 WeakPolarHBondContact O-CD 3.29Å; E46-K51 WeakPolarHBondContact O-CE 3.32Å; E46-K51 PolarHBondContact O-NZ 3.16Å; E46-K51 IonicContact OE2-NZ 3.4Å; E46-K51 PolarHBondContact OE2-NZ 3.34Å; F47-K51 WeakPolarHBondContact O-CB 3.36Å; F47-K51 WeakPolarHBondContact O-CG 3.23Å; F47-K51 PolarHBondContact O-N 3.28Å; Y48-K51 PolarHBondContact O-N 2.94Å; K51-K53 VanDerWaalsContact C-N 3.33Å
52	N	97.4	Very high	94.8	Very high	69 Å²	69	73.4 Å²	73.4	37%	0.369	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.6	177.9	-69.8	-77.9	0	0	0	114.4	Y48 G49 M50 W54	Y48-N52 WeakPolarHBondContact CD2-ND2 3.4Å; Y48-N52 WeakPolarHBondContact CE1-ND2 3.35Å; Y48-N52 VanDerWaalsContact CE2-ND2 3.33Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.43Å; Y48-N52 VanDerWaalsContact CZ-ND2 3.29Å; Y48-N52 WeakPolarHBondContact O-CB 3.38Å; Y48-N52 PolarHBondContact O-N 2.81Å; Y48-N52 PolarHBondContact O-ND2 2.92Å; G49-N52 CarbonylContact O-C 3.53Å; M50-N52 VanDerWaalsContact C-N 3.25Å; M50-N52 PolarHBondContact O-N 2.75Å; N52-W54 VanDerWaalsContact C-N 3.31Å; N52-W54 PolarHBondContact O-N 2.94Å
53	K	97.9	Very high	95	Very high	113 Å²	113	75.8 Å²	75.8	49%	0.491	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	44.8	176.5	-54.8	-178.5	-176.1	176	0	113.6	G49 M50 K51 F55 Q56	G49-K53 PolarHBondContact O-N 3.42Å; M50-K53 PolarHBondContact O-N 2.89Å; K51-K53 VanDerWaalsContact C-N 3.33Å; K53-F55 HydrophobicContact CB-CE1 4.21Å; K53-F55 HydrophobicContact CB-CE2 4.45Å; K53-F55 HydrophobicContact CB-CZ 4.03Å; K53-F55 HydrophobicContact CG-CE1 4.41Å; K53-F55 HydrophobicContact CG-CZ 4.02Å; K53-F55 PolarHBondContact O-N 2.84Å; K53-F55 VanDerWaalsContact O-N 3.11Å; K53-Q56 HydrophobicContact CB-CB 4.49Å; K53-Q56 HydrophobicContact CB-CG 4.35Å; K53-Q56 PolarHBondContact O-N 2.82Å
54	W	98.2	Very high	95.3	Very high	17 Å²	17	78.8 Å²	78.8	6%	0.064	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-56.3	-28.8	178.1	-71.7	6.5	0	0	0	112.8	V39 E41 Y48 G49 N52 Q56 R57 I59 F62 W91	V39-W54 HydrophobicContact CB-CZ3 4.37Å; V39-W54 HydrophobicContact CG1-CE3 4.47Å; V39-W54 HydrophobicContact CG1-CH2 3.83Å; V39-W54 HydrophobicContact CG1-CZ3 3.61Å; E41-W54 HydrophobicContact CG-CH2 3.98Å; E41-W54 HydrophobicContact CG-CZ3 3.73Å; Y48-W54 HydrophobicContact CD1-CH2 4.19Å; Y48-W54 AromaticContact CD1-CZ2 3.54Å; Y48-W54 HydrophobicContact CD1-CZ2 3.54Å; Y48-W54 HydrophobicContact CE1-CH2 4.49Å; Y48-W54 AromaticContact CE1-CZ2 3.54Å; Y48-W54 HydrophobicContact CE1-CZ2 3.54Å; G49-W54 PolarHBondContact O-N 2.77Å; N52-W54 VanDerWaalsContact C-N 3.31Å; N52-W54 PolarHBondContact O-N 2.94Å; W54-Q56 PolarHBondContact O-N 2.84Å; W54-Q56 VanDerWaalsContact O-N 3.11Å; W54-R57 PolarHBondContact O-N 2.82Å; W54-I59 HydrophobicContact CB-CG2 4.25Å; W54-F62 HydrophobicContact CB-CE2 4.49Å; W54-F62 AromaticContact CD1-CE2 3.9Å; W54-F62 AromaticContact CD1-CZ 3.98Å; W54-F62 AromaticContact CD2-CE2 3.65Å; W54-F62 HydrophobicContact CD2-CE2 3.65Å; W54-F62 HydrophobicContact CD2-CZ 4.42Å; W54-F62 AromaticContact CE2-CE2 3.65Å; W54-F62 HydrophobicContact CE3-CE2 4.18Å; W54-F62 AromaticContact CG-CE2 3.8Å; W54-F62 HydrophobicContact CG-CE2 3.8Å; W54-F62 HydrophobicContact CG-CZ 4.1Å; W54-F62 HydrophobicContact CZ2-CE2 4.16Å; W54-F62 AromaticContact NE1-CE2 3.81Å; W54-W91 HydrophobicContact CB-CD2 4.37Å; W54-W91 HydrophobicContact CB-CE3 4.17Å; W54-W91 HydrophobicContact CB-CH2 4.29Å; W54-W91 HydrophobicContact CB-CZ2 4.47Å; W54-W91 HydrophobicContact CB-CZ3 4.13Å; W54-W91 HydrophobicContact CE3-CB 4.5Å; W54-W91 AromaticContact CE3-CD1 3.46Å; W54-W91 VanDerWaalsContact CE3-CD1 3.46Å; W54-W91 AromaticContact CE3-CD2 3.88Å; W54-W91 HydrophobicContact CE3-CD2 3.88Å; W54-W91 AromaticContact CE3-CE2 3.76Å; W54-W91 AromaticContact CE3-CG 3.71Å; W54-W91 HydrophobicContact CE3-CG 3.71Å; W54-W91 AromaticContact CE3-NE1 3.49Å; W54-W91 AromaticContact CZ3-CD1 3.51Å; W54-W91 HydrophobicContact CZ3-CG 4.12Å; W54-W91 AromaticContact CZ3-NE1 3.72Å
55	F	97.8	Very high	95.9	Very high	33 Å²	33	77.6 Å²	77.6	15%	0.145	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-62.7	-11	171.9	56.9	-93.7	0	0	0	115.4	K53 W91 W123 G126 T156	K53-F55 HydrophobicContact CB-CE1 4.21Å; K53-F55 HydrophobicContact CB-CE2 4.45Å; K53-F55 HydrophobicContact CB-CZ 4.03Å; K53-F55 HydrophobicContact CG-CE1 4.41Å; K53-F55 HydrophobicContact CG-CZ 4.02Å; K53-F55 PolarHBondContact O-N 2.84Å; K53-F55 VanDerWaalsContact O-N 3.11Å; F55-W91 HydrophobicContact CB-CZ3 4.15Å; F55-W91 HydrophobicContact CD1-CH2 4.23Å; F55-W91 HydrophobicContact CD1-CZ3 4.37Å; F55-W123 HydrophobicContact CB-CB 3.99Å; F55-W123 HydrophobicContact CB-CD2 3.52Å; F55-W123 HydrophobicContact CB-CE3 3.9Å; F55-W123 HydrophobicContact CB-CG 3.56Å; F55-W123 HydrophobicContact CB-CZ2 4.47Å; F55-W123 HydrophobicContact CB-CZ3 4.5Å; F55-W123 HydrophobicContact CD1-CD2 4.26Å; F55-W123 AromaticContact CD1-CE2 3.68Å; F55-W123 HydrophobicContact CD1-CH2 4.29Å; F55-W123 AromaticContact CD1-CZ2 3.71Å; F55-W123 HydrophobicContact CD1-CZ2 3.71Å; F55-W123 AromaticContact CD1-NE1 3.85Å; F55-W123 AromaticContact CD2-CD1 3.53Å; F55-W123 HydrophobicContact CD2-CD2 4.46Å; F55-W123 HydrophobicContact CD2-CG 4.11Å; F55-W123 AromaticContact CD2-NE1 3.58Å; F55-W123 HydrophobicContact CE1-CZ2 4.16Å; F55-W123 AromaticContact CE2-NE1 3.94Å; F55-W123 AromaticContact CG-CD1 3.7Å; F55-W123 AromaticContact CG-CD2 3.86Å; F55-W123 HydrophobicContact CG-CD2 3.86Å; F55-W123 AromaticContact CG-CE2 3.63Å; F55-W123 AromaticContact CG-CG 3.92Å; F55-W123 HydrophobicContact CG-CG 3.92Å; F55-W123 HydrophobicContact CG-CZ2 4.15Å; F55-W123 AromaticContact CG-NE1 3.55Å; F55-G126 VanDerWaalsContact O-CA 3.29Å; F55-G126 WeakPolarHBondContact O-CA 3.34Å; F55-T156 HydrophobicContact CB-CG2 4.4Å
56	Q	97.8	Very high	96.4	Very high	125 Å²	125	79.5 Å²	79.5	58%	0.584	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-105.1	0.4	173.5	-59.2	-173.1	-27.1	0	0	112.9	K53 W54	K53-Q56 HydrophobicContact CB-CB 4.49Å; K53-Q56 HydrophobicContact CB-CG 4.35Å; K53-Q56 PolarHBondContact O-N 2.82Å; W54-Q56 PolarHBondContact O-N 2.84Å; W54-Q56 VanDerWaalsContact O-N 3.11Å
57	R	97.7	Very high	97	Very high	132 Å²	132	78.1 Å²	78.1	50%	0.498	36%	0.364	S	S	.	.	S	Bend	trans	-113.7	157.4	-177	-62.2	178.6	64.4	-179.6	-3.7	109.6	W54 I59 F62 Q93	W54-R57 PolarHBondContact O-N 2.82Å; R57-I59 PolarHBondContact O-N 2.82Å; R57-F62 HydrophobicContact CB-CE1 4.02Å; R57-F62 HydrophobicContact CB-CZ 3.98Å; R57-Q93 PolarHBondContact O-NE2 2.96Å
58	D	97.8	Very high	97.4	Very high	56 Å²	56	73.1 Å²	73.1	30%	0.299	34%	0.342	S	S	.	.			trans	-80.3	100.8	166.9	-173.1	-15.8	0	0	0	108.5	C60 L61 Q93	D58-C60 PolarHBondContact O-N 2.77Å; D58-C60 WeakPolarHBondContact OD1-CA 3.37Å; D58-C60 WeakPolarHBondContact OD1-CB 3.48Å; D58-C60 PolarHBondContact OD1-N 2.94Å; D58-C60 PolarHBondContact OD1-SG 2.84Å; D58-L61 HydrophobicContact CB-CD1 3.98Å; D58-L61 HydrophobicContact CB-CG 4.12Å; D58-L61 PolarHBondContact O-N 2.81Å; D58-Q93 PolarHBondContact OD1-OE1 3.45Å
59	I	98.2	Very high	97.5	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-73.4	-13.5	-179.7	73	172.4	0	0	0	111.3	C37 V39 W54 R57 L61 F62 S65 W91 Q93	C37-I59 HydrophobicContact CB-CG1 4.23Å; V39-I59 HydrophobicContact CG2-CB 4.1Å; V39-I59 HydrophobicContact CG2-CD1 4.38Å; V39-I59 HydrophobicContact CG2-CG1 4.45Å; W54-I59 HydrophobicContact CB-CG2 4.25Å; R57-I59 PolarHBondContact O-N 2.82Å; I59-L61 PolarHBondContact O-N 2.92Å; I59-F62 HydrophobicContact CB-CD2 4.25Å; I59-F62 HydrophobicContact CB-CE2 4.2Å; I59-F62 HydrophobicContact CB-CZ 4.44Å; I59-F62 HydrophobicContact CG2-CD2 4.45Å; I59-F62 HydrophobicContact CG2-CE2 3.9Å; I59-F62 HydrophobicContact CG2-CZ 3.98Å; I59-F62 PolarHBondContact O-N 2.78Å; I59-S65 WeakPolarHBondContact O-CB 3.4Å; I59-S65 PolarHBondContact O-OG 2.8Å; I59-W91 HydrophobicContact CD1-CB 3.88Å; I59-Q93 HydrophobicContact CD1-CB 3.5Å; I59-Q93 VanDerWaalsContact CD1-CB 3.5Å; I59-Q93 HydrophobicContact CG1-CB 3.47Å; I59-Q93 VanDerWaalsContact CG1-CB 3.47Å; I59-Q93 HydrophobicContact CG1-CG 4.3Å
60	C	97.8	Very high	97.6	Very high	24 Å²	24	69.3 Å²	69.3	16%	0.162	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-66.6	-20.7	174.6	-51.8	0	0	0	0	112.1	C37 D58 S65	C37-C60 HydrophobicContact CB-CB 3.88Å; C37-C60 WeakPolarHBondContact CB-SG 3.16Å; C37-C60 WeakPolarHBondContact SG-CB 3.33Å; C37-C60 CovalentContact SG-SG 2.01Å; C37-C60 PolarHBondContact SG-SG 2.83Å; D58-C60 PolarHBondContact O-N 2.77Å; D58-C60 WeakPolarHBondContact OD1-CA 3.37Å; D58-C60 WeakPolarHBondContact OD1-CB 3.48Å; D58-C60 PolarHBondContact OD1-N 2.94Å; D58-C60 PolarHBondContact OD1-SG 2.84Å; C60-S65 WeakPolarHBondContact CA-OG 3.49Å
61	L	97.8	Very high	97.7	Very high	139 Å²	139	68.8 Å²	68.8	73%	0.728	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-94.8	-0.4	179.6	-58.2	179.7	0	0	0	113.3	D58 I59	D58-L61 HydrophobicContact CB-CD1 3.98Å; D58-L61 HydrophobicContact CB-CG 4.12Å; D58-L61 PolarHBondContact O-N 2.81Å; I59-L61 PolarHBondContact O-N 2.92Å
62	F	98.1	Very high	97.7	Very high	28 Å²	28	62.8 Å²	62.8	12%	0.123	31%	0.31	C	S	.	.	S	Bend	trans	-72.3	144.9	176.1	-68.5	7.5	0	0	0	109.6	V39 W54 R57 I59 N64 S65	V39-F62 HydrophobicContact CG1-CD2 4.4Å; V39-F62 HydrophobicContact CG2-CB 4.3Å; V39-F62 HydrophobicContact CG2-CD2 4.13Å; W54-F62 HydrophobicContact CB-CE2 4.49Å; W54-F62 AromaticContact CD1-CE2 3.9Å; W54-F62 AromaticContact CD1-CZ 3.98Å; W54-F62 AromaticContact CD2-CE2 3.65Å; W54-F62 HydrophobicContact CD2-CE2 3.65Å; W54-F62 HydrophobicContact CD2-CZ 4.42Å; W54-F62 AromaticContact CE2-CE2 3.65Å; W54-F62 HydrophobicContact CE3-CE2 4.18Å; W54-F62 AromaticContact CG-CE2 3.8Å; W54-F62 HydrophobicContact CG-CE2 3.8Å; W54-F62 HydrophobicContact CG-CZ 4.1Å; W54-F62 HydrophobicContact CZ2-CE2 4.16Å; W54-F62 AromaticContact NE1-CE2 3.81Å; R57-F62 HydrophobicContact CB-CE1 4.02Å; R57-F62 HydrophobicContact CB-CZ 3.98Å; I59-F62 HydrophobicContact CB-CD2 4.25Å; I59-F62 HydrophobicContact CB-CE2 4.2Å; I59-F62 HydrophobicContact CB-CZ 4.44Å; I59-F62 HydrophobicContact CG2-CD2 4.45Å; I59-F62 HydrophobicContact CG2-CE2 3.9Å; I59-F62 HydrophobicContact CG2-CZ 3.98Å; I59-F62 PolarHBondContact O-N 2.78Å; F62-N64 VanDerWaalsContact C-N 3.26Å; F62-N64 PolarHBondContact O-N 2.81Å; F62-S65 WeakPolarHBondContact O-CB 3.43Å; F62-S65 PolarHBondContact O-N 3.45Å
63	E	96.2	Very high	97.8	Very high	206 Å²	206	59.5 Å²	59.5	96%	0.963	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.7	-177.1	-173.2	176.4	-176	0	0	112.5	S65	E63-S65 VanDerWaalsContact C-N 3.31Å
64	N	94.4	Very high	97.8	Very high	94 Å²	94	54.1 Å²	54.1	50%	0.503	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	11.1	176.7	70.4	-24.2	0	0	0	113.8	F62	F62-N64 VanDerWaalsContact C-N 3.26Å; F62-N64 PolarHBondContact O-N 2.81Å
65	S	97.5	Very high	97.8	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	27%	0.267	C	S	.	.			trans	-71.1	138.5	178.5	-162.5	0	0	0	0	111.5	F38 I59 C60 F62 E63 R67	F38-S65 WeakPolarHBondContact O-CA 3.45Å; I59-S65 WeakPolarHBondContact O-CB 3.4Å; I59-S65 PolarHBondContact O-OG 2.8Å; C60-S65 WeakPolarHBondContact CA-OG 3.49Å; F62-S65 WeakPolarHBondContact O-CB 3.43Å; F62-S65 PolarHBondContact O-N 3.45Å; E63-S65 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact OG-NH1 2.86Å
66	T	97.4	Very high	97.7	Very high	60 Å²	60	53.6 Å²	53.6	37%	0.368	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	-168.5	171.2	-169.9	0	0	0	0	110.4	C37 F38	C37-T66 WeakPolarHBondContact CA-O 3.38Å; F38-T66 HydrophobicContact CB-CG2 4.1Å; F38-T66 HydrophobicContact CD1-CG2 3.78Å; F38-T66 HydrophobicContact CG-CG2 4.41Å; F38-T66 PolarHBondContact N-O 3.34Å; F38-T66 PolarHBondContact O-N 3.2Å
67	R	98	Very high	97.7	Very high	119 Å²	119	49.9 Å²	49.9	45%	0.449	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.9	180	-65.2	-64.4	179.3	-87.7	-3	109.5	I35 W36 C37 S65	I35-R67 HydrophobicContact CG2-CB 3.67Å; I35-R67 HydrophobicContact CG2-CG 4.18Å; W36-R67 WeakPolarHBondContact O-CA 3.14Å; C37-R67 PolarHBondContact SG-NH1 3.06Å; S65-R67 PolarHBondContact OG-NH1 2.86Å
68	L	98.3	Very high	97.7	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.2	175.9	-62.5	-173	0	0	0	110.5	W36 F38 Y74 Q77 T78 Y92	W36-L68 PolarHBondContact N-O 2.75Å; W36-L68 PolarHBondContact O-N 3Å; F38-L68 HydrophobicContact CB-CB 4.28Å; F38-L68 HydrophobicContact CB-CD1 3.97Å; F38-L68 HydrophobicContact CB-CG 3.79Å; F38-L68 HydrophobicContact CD1-CD1 3.67Å; F38-L68 HydrophobicContact CD1-CG 4.15Å; F38-L68 HydrophobicContact CD2-CD1 3.46Å; F38-L68 VanDerWaalsContact CD2-CD1 3.46Å; F38-L68 HydrophobicContact CD2-CG 4.24Å; F38-L68 HydrophobicContact CE1-CD1 3.92Å; F38-L68 HydrophobicContact CE2-CD1 3.69Å; F38-L68 HydrophobicContact CG-CD1 3.41Å; F38-L68 VanDerWaalsContact CG-CD1 3.41Å; F38-L68 HydrophobicContact CG-CG 3.81Å; F38-L68 HydrophobicContact CZ-CD1 3.91Å; L68-Y74 VanDerWaalsContact CD1-CB 3.42Å; L68-Q77 HydrophobicContact CD2-CB 3.75Å; L68-T78 HydrophobicContact CD2-CG2 3.73Å; L68-Y92 HydrophobicContact CB-CE1 4.47Å; L68-Y92 HydrophobicContact CD1-CE1 4.43Å
69	A	98.5	Very high	97.6	Very high	46 Å²	46	51.7 Å²	51.7	38%	0.38	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.4	173.6	0	0	0	0	0	111.2	Q77	A69-Q77 PolarHBondContact O-NE2 3.03Å
70	V	98.6	Very high	97.5	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.2	172.5	174.3	0	0	0	0	107.4	D33 G34 W36 Y92 I200 V204	D33-V70 WeakPolarHBondContact CA-O 3.48Å; D33-V70 WeakPolarHBondContact CB-O 3.43Å; G34-V70 PolarHBondContact N-O 3.41Å; G34-V70 PolarHBondContact O-N 3.33Å; W36-V70 HydrophobicContact CB-CG2 4.25Å; W36-V70 HydrophobicContact CD2-CG2 4.16Å; W36-V70 HydrophobicContact CG-CB 4.35Å; W36-V70 HydrophobicContact CG-CG2 3.79Å; V70-Y92 HydrophobicContact CG2-CD1 4.06Å; V70-Y92 HydrophobicContact CG2-CE1 4.12Å; V70-I200 HydrophobicContact CG1-CB 3.81Å; V70-I200 HydrophobicContact CG1-CD1 4.39Å; V70-I200 HydrophobicContact CG1-CG2 3.49Å; V70-I200 VanDerWaalsContact CG1-CG2 3.49Å; V70-I200 HydrophobicContact CG2-CB 4.24Å; V70-I200 HydrophobicContact CG2-CD1 4.17Å; V70-V204 HydrophobicContact CG1-CG2 3.96Å
71	P	98.6	Very high	97.2	Very high	21 Å²	21	58.7 Å²	58.7	14%	0.136	30%	0.302	C	S	.	.	S	Bend	cis	-67	144.8	-3.1	27.7	-35.4	0	0	0	113.4	I200 H201 Y350	P71-I200 CarbonylContact C-O 3.6Å; P71-I200 WeakPolarHBondContact CA-O 3.31Å; P71-H201 VanDerWaalsContact CB-O 3.29Å; P71-H201 WeakPolarHBondContact CB-O 3.32Å; P71-Y350 WeakPolarHBondContact CG-O 3.48Å
72	G	98.2	Very high	97	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	148.9	-178.8	0	0	0	0	0	113.2	I200	G72-I200 PolarHBondContact N-O 3.45Å
73	S	98.5	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.4	167.1	-50.3	0	0	0	0	109.3	N75 Q77 Y197 A198 H201 H346 R348	S73-N75 PolarHBondContact O-N 3.48Å; S73-Q77 WeakPolarHBondContact O-CG 3.28Å; S73-Q77 PolarHBondContact O-NE2 2.96Å; S73-Y197 VanDerWaalsContact CB-CD1 3.48Å; S73-Y197 WeakPolarHBondContact OG-CB 3.33Å; S73-A198 VanDerWaalsContact CA-O 3.26Å; S73-A198 WeakPolarHBondContact CA-O 3.39Å; S73-H201 PolarHBondContact OG-CD2 3.15Å; S73-H201 PolarHBondContact OG-NE2 3.1Å; S73-H346 WeakPolarHBondContact CB-O 3.14Å; S73-H346 PolarHBondContact N-O 2.86Å; S73-H346 PolarHBondContact OG-O 3.19Å; S73-H346 VanDerWaalsContact OG-O 3.04Å; S73-R348 PolarHBondContact OG-N 3.1Å
74	Y	98	Very high	96.8	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.246	C	C	.	.	S	Bend	trans	-72.8	-22.3	-179	61.3	-105.3	0	0	0	113	F38 L68 D76 Q77 L83 H86 V90 Y92 N161 A198	F38-Y74 HydrophobicContact CE2-CD1 4.37Å; F38-Y74 HydrophobicContact CE2-CG 4.28Å; F38-Y74 HydrophobicContact CZ-CD1 4.46Å; F38-Y74 HydrophobicContact CZ-CD2 4.42Å; F38-Y74 HydrophobicContact CZ-CG 4.07Å; L68-Y74 VanDerWaalsContact CD1-CB 3.42Å; Y74-D76 VanDerWaalsContact C-N 3.33Å; Y74-D76 PolarHBondContact O-N 3.01Å; Y74-Q77 PolarHBondContact O-N 2.72Å; Y74-L83 VanDerWaalsContact CE2-O 3.29Å; Y74-L83 WeakPolarHBondContact CE2-O 3.42Å; Y74-H86 HydrophobicContact CE2-CB 4.38Å; Y74-V90 HydrophobicContact CD1-CG2 4.14Å; Y74-V90 HydrophobicContact CE1-CG1 4.26Å; Y74-V90 HydrophobicContact CE1-CG2 3.88Å; Y74-Y92 WeakPolarHBondContact CD1-OH 3.38Å; Y74-N161 PolarHBondContact OH-ND2 3.48Å; Y74-A198 VanDerWaalsContact CD1-C 3.5Å; Y74-A198 HydrophobicContact CD1-CB 4.29Å; Y74-A198 WeakPolarHBondContact CD1-O 3.24Å; Y74-A198 VanDerWaalsContact CE1-C 3.48Å; Y74-A198 HydrophobicContact CE1-CB 3.38Å; Y74-A198 PolarHBondContact N-O 3.14Å
75	N	98.1	Very high	96.6	Very high	3 Å²	3	50 Å²	50	2%	0.016	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.4	-165.1	-52.4	79.4	0	0	0	113.7	S73 R84 F195 Y197 A198	S73-N75 PolarHBondContact O-N 3.48Å; N75-R84 HydrophobicContact CB-CG 4.31Å; N75-R84 PolarHBondContact ND2-O 3.39Å; N75-R84 WeakPolarHBondContact O-CA 3.48Å; N75-R84 WeakPolarHBondContact O-CB 3.3Å; N75-F195 HydrophobicContact CB-CE1 3.79Å; N75-F195 HydrophobicContact CB-CZ 4.45Å; N75-Y197 HydrophobicContact CB-CD1 3.84Å; N75-Y197 HydrophobicContact CB-CE1 4.03Å; N75-A198 PolarHBondContact OD1-N 3.35Å; N75-A198 PolarHBondContact OD1-O 2.96Å
76	D	97.2	Very high	96.4	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.193	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	8.6	-174.2	-71.1	-14.2	0	0	0	113.3	Y74 T78 R84 Y197	Y74-D76 VanDerWaalsContact C-N 3.33Å; Y74-D76 PolarHBondContact O-N 3.01Å; D76-T78 VanDerWaalsContact C-N 3.31Å; D76-R84 IonicContact OD1-NE 2.68Å; D76-R84 PolarHBondContact OD1-NE 3.25Å; D76-Y197 HydrophobicContact CB-CE1 4.42Å; D76-Y197 VanDerWaalsContact OD2-CE1 3.29Å; D76-Y197 WeakPolarHBondContact OD2-CE1 3.48Å; D76-Y197 VanDerWaalsContact OD2-CZ 3.32Å; D76-Y197 PolarHBondContact OD2-OH 2.99Å
77	Q	97.4	Very high	96.2	Very high	47 Å²	47	46.6 Å²	46.6	22%	0.22	22%	0.224	C	C	.	.	S	Bend	trans	-83.1	-7.1	177.2	-74.1	-174.3	56.1	0	0	113.4	L68 A69 S73 Y74	L68-Q77 HydrophobicContact CD2-CB 3.75Å; A69-Q77 PolarHBondContact O-NE2 3.03Å; S73-Q77 WeakPolarHBondContact O-CG 3.28Å; S73-Q77 PolarHBondContact O-NE2 2.96Å; Y74-Q77 PolarHBondContact O-N 2.72Å
78	T	96.9	Very high	96	Very high	33 Å²	33	41 Å²	41	20%	0.202	20%	0.204	C	C	.	.	S	Bend	trans	-133.2	168.2	-177.1	78.6	0	0	0	0	111	L68 D76 S80 L83	L68-T78 HydrophobicContact CD2-CG2 3.73Å; D76-T78 VanDerWaalsContact C-N 3.31Å; T78-S80 PolarHBondContact O-N 3.27Å; T78-S80 WeakPolarHBondContact OG1-CB 3.35Å; T78-S80 PolarHBondContact OG1-N 3.36Å; T78-S80 VanDerWaalsContact OG1-N 3.14Å; T78-L83 HydrophobicContact CG2-CD1 3.96Å
79	Q	96.2	Very high	95.9	Very high	193 Å²	193	41.5 Å²	41.5	90%	0.902	21%	0.205	S	C	*	.	S	Bend	trans	-87.6	10.7	172.3	-52.6	-53.1	-47.7	0	0	112.7
80	S	95.7	Very high	95.9	Very high	45 Å²	45	39.3 Å²	39.3	32%	0.315	19%	0.187	S	C	.	.			trans	-87.7	111.4	-175.8	177.3	0	0	0	0	111.3	T78 F82 L83 R84	T78-S80 PolarHBondContact O-N 3.27Å; T78-S80 WeakPolarHBondContact OG1-CB 3.35Å; T78-S80 PolarHBondContact OG1-N 3.36Å; T78-S80 VanDerWaalsContact OG1-N 3.14Å; S80-F82 PolarHBondContact O-N 3.39Å; S80-F82 PolarHBondContact OG-N 3.06Å; S80-L83 PolarHBondContact O-N 3.44Å; S80-L83 PolarHBondContact OG-N 3.04Å; S80-L83 VanDerWaalsContact OG-N 3.16Å; S80-R84 PolarHBondContact O-N 3.09Å
81	Q	92.7	Very high	95.9	Very high	126 Å²	126	39.1 Å²	39.1	59%	0.589	19%	0.186	S	C	*	.	H	α-helix	trans	-63	-33	173.1	-170.8	172.5	39.1	0	0	112	R84 R85	Q81-R84 PolarHBondContact O-N 3.2Å; Q81-R85 PolarHBondContact O-N 2.71Å; Q81-R85 VanDerWaalsContact O-N 3.15Å
82	F	92.1	Very high	95.9	Very high	90 Å²	90	38.1 Å²	38.1	40%	0.395	18%	0.179	S	C	.	.	H	α-helix	trans	-58.7	-52.4	173.3	170.3	-95	0	0	0	110.6	S43 S80 R84 R85 H86	S43-F82 VanDerWaalsContact OG-CE2 3.24Å; S43-F82 WeakPolarHBondContact OG-CE2 3.35Å; S80-F82 PolarHBondContact O-N 3.39Å; S80-F82 PolarHBondContact OG-N 3.06Å; F82-R84 VanDerWaalsContact C-N 3.33Å; F82-R84 PolarHBondContact O-N 3.15Å; F82-R85 CarbonylContact O-C 3.5Å; F82-R85 PolarHBondContact O-N 2.95Å; F82-H86 AromaticContact CZ-ND1 3.71Å; F82-H86 WeakPolarHBondContact O-CA 3.47Å; F82-H86 WeakPolarHBondContact O-CB 3.33Å; F82-H86 PolarHBondContact O-N 2.92Å
83	L	94.5	Very high	95.9	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-39.2	178.9	-71.4	-178.8	0	0	0	112	F38 S40 Y74 T78 S80 R85 H86	F38-L83 HydrophobicContact CE1-CD1 4.22Å; F38-L83 HydrophobicContact CE1-CD2 3.88Å; F38-L83 HydrophobicContact CZ-CD2 4.44Å; S40-L83 VanDerWaalsContact CB-CD2 3.45Å; S40-L83 VanDerWaalsContact OG-CD2 3.3Å; S40-L83 WeakPolarHBondContact OG-CD2 3.3Å; Y74-L83 VanDerWaalsContact CE2-O 3.29Å; Y74-L83 WeakPolarHBondContact CE2-O 3.42Å; T78-L83 HydrophobicContact CG2-CD1 3.96Å; S80-L83 PolarHBondContact O-N 3.44Å; S80-L83 PolarHBondContact OG-N 3.04Å; S80-L83 VanDerWaalsContact OG-N 3.16Å; L83-R85 VanDerWaalsContact C-N 3.25Å; L83-R85 PolarHBondContact O-N 3.02Å; L83-H86 WeakPolarHBondContact O-CB 3.4Å; L83-H86 PolarHBondContact O-N 3.46Å
84	R	95	Very high	96	Very high	46 Å²	46	40.7 Å²	40.7	17%	0.174	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-41.3	178.9	-171.4	174.3	-174.2	-83.7	-1.6	112.1	N75 D76 S80 Q81 F82 F195	N75-R84 HydrophobicContact CB-CG 4.31Å; N75-R84 PolarHBondContact ND2-O 3.39Å; N75-R84 WeakPolarHBondContact O-CA 3.48Å; N75-R84 WeakPolarHBondContact O-CB 3.3Å; D76-R84 IonicContact OD1-NE 2.68Å; D76-R84 PolarHBondContact OD1-NE 3.25Å; S80-R84 PolarHBondContact O-N 3.09Å; Q81-R84 PolarHBondContact O-N 3.2Å; F82-R84 VanDerWaalsContact C-N 3.33Å; F82-R84 PolarHBondContact O-N 3.15Å; R84-F195 HydrophobicContact CG-CZ 4.15Å
85	R	91.7	Very high	96	Very high	135 Å²	135	43.1 Å²	43.1	51%	0.509	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	8.3	-176.4	-64.2	-178.2	172.4	171.4	-2.5	113.8	Q81 F82 L83 V87 D536	Q81-R85 PolarHBondContact O-N 2.71Å; Q81-R85 VanDerWaalsContact O-N 3.15Å; F82-R85 CarbonylContact O-C 3.5Å; F82-R85 PolarHBondContact O-N 2.95Å; L83-R85 VanDerWaalsContact C-N 3.25Å; L83-R85 PolarHBondContact O-N 3.02Å; R85-V87 PolarHBondContact O-N 3.31Å; R85-D536 IonicContact CZ-OD2 3.81Å; R85-D536 IonicContact NE-OD2 3.01Å; R85-D536 IonicContact NH2-OD2 3.06Å; R85-D536 PolarHBondContact NH2-OD2 3.13Å
86	H	93.1	Very high	96	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.205	C	C	.	.			trans	-61	136.5	-175	178.9	71.2	0	0	0	111	E41 S43 Y74 F82 L83 W89 V90 N161	E41-H86 PolarHBondContact O-CE1 2.8Å; S43-H86 PolarHBondContact OG-ND1 3.47Å; Y74-H86 HydrophobicContact CE2-CB 4.38Å; F82-H86 AromaticContact CZ-ND1 3.71Å; F82-H86 WeakPolarHBondContact O-CA 3.47Å; F82-H86 WeakPolarHBondContact O-CB 3.33Å; F82-H86 PolarHBondContact O-N 2.92Å; L83-H86 WeakPolarHBondContact O-CB 3.4Å; L83-H86 PolarHBondContact O-N 3.46Å; H86-W89 PolarHBondContact NE2-O 3.44Å; H86-W89 VanDerWaalsContact NE2-O 3.11Å; H86-V90 WeakPolarHBondContact CD2-CG1 3.22Å; H86-N161 PolarHBondContact O-ND2 3.06Å
87	V	92.3	Very high	96	Very high	13 Å²	13	47.5 Å²	47.5	8%	0.079	22%	0.221	C	C	.	.			trans	-124.5	126.2	169.9	-177.9	0	0	0	0	108.5	S43 N44 R85 N161 T162 F173 F186 Q188	S43-V87 CarbonylContact C-O 3.6Å; S43-V87 WeakPolarHBondContact CA-O 3.31Å; N44-V87 PolarHBondContact N-O 3.19Å; R85-V87 PolarHBondContact O-N 3.31Å; V87-N161 WeakPolarHBondContact CA-OD1 3.38Å; V87-T162 HydrophobicContact CG1-CG2 4.45Å; V87-T162 VanDerWaalsContact CG1-OG1 3.29Å; V87-T162 WeakPolarHBondContact CG1-OG1 3.44Å; V87-F173 HydrophobicContact CG1-CD2 4.25Å; V87-F173 HydrophobicContact CG1-CE2 3.74Å; V87-F186 HydrophobicContact CB-CE2 3.61Å; V87-F186 HydrophobicContact CB-CZ 4.14Å; V87-F186 HydrophobicContact CG1-CE2 4.23Å; V87-F186 HydrophobicContact CG2-CE2 3.85Å; V87-Q188 HydrophobicContact CG2-CB 4.29Å
88	G	93.7	Very high	95.9	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	123.1	-147.7	178.7	0	0	0	0	0	112.4	N160 N161	G88-N160 WeakPolarHBondContact O-CA 3.38Å; G88-N161 PolarHBondContact N-OD1 2.85Å; G88-N161 PolarHBondContact O-OD1 3.32Å
89	W	97.1	Very high	95.8	Very high	14 Å²	14	45.7 Å²	45.7	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.4	-169.6	-67	102.7	0	0	0	113.2	E41 F47 M50 H86 V119 I121 A158 V159 N160	E41-W89 HydrophobicContact CB-CB 4.42Å; E41-W89 WeakPolarHBondContact CB-O 3.1Å; E41-W89 HydrophobicContact CG-CB 4Å; E41-W89 PolarHBondContact N-O 2.76Å; F47-W89 AromaticContact CD1-CE2 3.8Å; F47-W89 AromaticContact CD1-CZ2 3.89Å; F47-W89 HydrophobicContact CD1-CZ2 3.89Å; F47-W89 AromaticContact CD1-NE1 3.48Å; F47-W89 AromaticContact CE1-CE2 3.84Å; F47-W89 AromaticContact CE1-CZ2 3.53Å; F47-W89 HydrophobicContact CE1-CZ2 3.53Å; F47-W89 AromaticContact CE1-NE1 3.68Å; M50-W89 HydrophobicContact CE-CD2 3.43Å; M50-W89 VanDerWaalsContact CE-CD2 3.43Å; M50-W89 HydrophobicContact CE-CE3 3.3Å; M50-W89 HydrophobicContact CE-CG 4.14Å; M50-W89 HydrophobicContact CE-CH2 3.85Å; M50-W89 HydrophobicContact CE-CZ2 3.96Å; M50-W89 HydrophobicContact CE-CZ3 3.51Å; M50-W89 HydrophobicContact SD-CD2 4.21Å; M50-W89 HydrophobicContact SD-CG 4.42Å; H86-W89 PolarHBondContact NE2-O 3.44Å; H86-W89 VanDerWaalsContact NE2-O 3.11Å; W89-V119 HydrophobicContact CH2-CB 4.42Å; W89-V119 HydrophobicContact CH2-CG1 4Å; W89-I121 HydrophobicContact CH2-CD1 3.79Å; W89-I121 HydrophobicContact CH2-CG1 4.16Å; W89-I121 HydrophobicContact CZ3-CD1 4.17Å; W89-I121 HydrophobicContact CZ3-CG1 4.25Å; W89-A158 HydrophobicContact CE3-CB 3.86Å; W89-A158 HydrophobicContact CZ3-CB 4.05Å; W89-V159 CarbonylContact C-O 3.57Å; W89-V159 WeakPolarHBondContact CA-O 3.48Å; W89-N160 HydrophobicContact CD2-CB 3.79Å; W89-N160 HydrophobicContact CE3-CB 3.61Å; W89-N160 HydrophobicContact CH2-CB 3.72Å; W89-N160 HydrophobicContact CZ2-CB 3.87Å; W89-N160 HydrophobicContact CZ3-CB 3.6Å; W89-N160 PolarHBondContact NE1-ND2 2.89Å
90	V	98.3	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.8	165.9	-56.6	0	0	0	0	109.6	F38 Y74 H86 Y92 A158 V159	F38-V90 HydrophobicContact CE2-CB 3.63Å; F38-V90 HydrophobicContact CE2-CG1 4.23Å; F38-V90 HydrophobicContact CE2-CG2 3.82Å; F38-V90 HydrophobicContact CZ-CB 3.67Å; F38-V90 HydrophobicContact CZ-CG1 3.78Å; F38-V90 HydrophobicContact CZ-CG2 4.22Å; Y74-V90 HydrophobicContact CD1-CG2 4.14Å; Y74-V90 HydrophobicContact CE1-CG1 4.26Å; Y74-V90 HydrophobicContact CE1-CG2 3.88Å; H86-V90 WeakPolarHBondContact CD2-CG1 3.22Å; V90-Y92 HydrophobicContact CG2-CD2 4.49Å; V90-Y92 HydrophobicContact CG2-CE2 3.83Å; V90-A158 CarbonylContact O-C 3.53Å; V90-A158 VanDerWaalsContact O-CA 3.31Å; V90-A158 WeakPolarHBondContact O-CA 3.05Å; V90-V159 HydrophobicContact CG2-CB 3.81Å; V90-V159 PolarHBondContact N-O 3.15Å; V90-V159 PolarHBondContact O-N 2.89Å
91	W	98.8	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.2	-172.5	-65.5	76.4	0	0	0	110.5	F38 V39 E41 M50 W54 F55 I59 W123 T156 V157 A158	F38-W91 CarbonylContact C-O 3.55Å; F38-W91 VanDerWaalsContact CA-O 3.25Å; F38-W91 WeakPolarHBondContact CA-O 3.48Å; V39-W91 PolarHBondContact N-O 2.68Å; V39-W91 PolarHBondContact O-N 2.93Å; E41-W91 PolarHBondContact OE1-NE1 2.95Å; M50-W91 HydrophobicContact CE-CH2 4.07Å; M50-W91 HydrophobicContact CE-CZ2 3.72Å; M50-W91 HydrophobicContact CG-CH2 3.98Å; M50-W91 HydrophobicContact CG-CZ2 4.03Å; M50-W91 HydrophobicContact SD-CH2 4.1Å; M50-W91 HydrophobicContact SD-CZ2 3.57Å; M50-W91 VanDerWaalsContact SD-CZ2 3.57Å; W54-W91 HydrophobicContact CB-CD2 4.37Å; W54-W91 HydrophobicContact CB-CE3 4.17Å; W54-W91 HydrophobicContact CB-CH2 4.29Å; W54-W91 HydrophobicContact CB-CZ2 4.47Å; W54-W91 HydrophobicContact CB-CZ3 4.13Å; W54-W91 HydrophobicContact CE3-CB 4.5Å; W54-W91 AromaticContact CE3-CD1 3.46Å; W54-W91 VanDerWaalsContact CE3-CD1 3.46Å; W54-W91 AromaticContact CE3-CD2 3.88Å; W54-W91 HydrophobicContact CE3-CD2 3.88Å; W54-W91 AromaticContact CE3-CE2 3.76Å; W54-W91 AromaticContact CE3-CG 3.71Å; W54-W91 HydrophobicContact CE3-CG 3.71Å; W54-W91 AromaticContact CE3-NE1 3.49Å; W54-W91 AromaticContact CZ3-CD1 3.51Å; W54-W91 HydrophobicContact CZ3-CG 4.12Å; W54-W91 AromaticContact CZ3-NE1 3.72Å; F55-W91 HydrophobicContact CB-CZ3 4.15Å; F55-W91 HydrophobicContact CD1-CH2 4.23Å; F55-W91 HydrophobicContact CD1-CZ3 4.37Å; I59-W91 HydrophobicContact CD1-CB 3.88Å; W91-W123 AromaticContact CH2-CH2 3.88Å; W91-W123 HydrophobicContact CH2-CH2 3.88Å; W91-W123 HydrophobicContact CH2-CZ3 4.04Å; W91-W123 HydrophobicContact CZ3-CE3 4.31Å; W91-W123 HydrophobicContact CZ3-CH2 4.03Å; W91-W123 AromaticContact CZ3-CZ3 3.7Å; W91-W123 HydrophobicContact CZ3-CZ3 3.7Å; W91-T156 HydrophobicContact CE3-CG2 3.78Å; W91-T156 HydrophobicContact CZ3-CG2 4.13Å; W91-V157 CarbonylContact C-O 3.55Å; W91-V157 WeakPolarHBondContact CA-O 3.38Å; W91-A158 HydrophobicContact CD2-CB 3.93Å; W91-A158 HydrophobicContact CE3-CB 3.91Å; W91-A158 HydrophobicContact CH2-CB 3.92Å; W91-A158 HydrophobicContact CZ2-CB 3.93Å; W91-A158 HydrophobicContact CZ3-CB 3.9Å
92	Y	98.9	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.1	171.7	-64.4	-99.7	0	0	0	109.6	W36 C37 F38 L68 V70 Y74 V90 T156 V157 V159 G199 I200	W36-Y92 HydrophobicContact CB-CD1 4.24Å; C37-Y92 CarbonylContact O-C 3.58Å; C37-Y92 VanDerWaalsContact O-CA 3.26Å; C37-Y92 WeakPolarHBondContact O-CA 3.39Å; F38-Y92 AromaticContact CD2-CD1 3.86Å; F38-Y92 HydrophobicContact CD2-CD1 3.86Å; F38-Y92 HydrophobicContact CD2-CD2 4.21Å; F38-Y92 AromaticContact CD2-CE1 3.59Å; F38-Y92 HydrophobicContact CD2-CE1 3.59Å; F38-Y92 AromaticContact CD2-CE2 3.96Å; F38-Y92 HydrophobicContact CD2-CE2 3.96Å; F38-Y92 HydrophobicContact CD2-CG 4.16Å; F38-Y92 AromaticContact CD2-CZ 3.64Å; F38-Y92 HydrophobicContact CE2-CD2 4.39Å; F38-Y92 HydrophobicContact CE2-CE1 4.03Å; F38-Y92 AromaticContact CE2-CE2 3.78Å; F38-Y92 HydrophobicContact CE2-CE2 3.78Å; F38-Y92 AromaticContact CE2-CZ 3.59Å; L68-Y92 HydrophobicContact CB-CE1 4.47Å; L68-Y92 HydrophobicContact CD1-CE1 4.43Å; V70-Y92 HydrophobicContact CG2-CD1 4.06Å; V70-Y92 HydrophobicContact CG2-CE1 4.12Å; Y74-Y92 WeakPolarHBondContact CD1-OH 3.38Å; V90-Y92 HydrophobicContact CG2-CD2 4.49Å; V90-Y92 HydrophobicContact CG2-CE2 3.83Å; Y92-T156 CarbonylContact O-C 3.54Å; Y92-T156 WeakPolarHBondContact O-CA 3.12Å; Y92-V157 PolarHBondContact N-O 3.4Å; Y92-V157 PolarHBondContact O-N 2.91Å; Y92-V159 HydrophobicContact CD2-CG2 3.94Å; Y92-V159 HydrophobicContact CE2-CB 4.46Å; Y92-V159 HydrophobicContact CE2-CG2 3.91Å; Y92-G199 WeakPolarHBondContact OH-CA 3.37Å; Y92-I200 HydrophobicContact CD1-CD1 4.15Å; Y92-I200 HydrophobicContact CD2-CD1 4.05Å; Y92-I200 HydrophobicContact CD2-CG1 4.28Å; Y92-I200 HydrophobicContact CE2-CD1 4.5Å; Y92-I200 HydrophobicContact CE2-CG1 4.27Å; Y92-I200 HydrophobicContact CG-CD1 3.85Å; Y92-I200 HydrophobicContact CG-CG1 4.48Å
93	Q	98.8	Very high	95.9	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	137.8	172.2	-170.4	172.9	77.3	0	0	112.1	C37 R57 D58 I59 I154 L155 T156	C37-Q93 HydrophobicContact CB-CB 4.33Å; C37-Q93 PolarHBondContact N-O 2.9Å; C37-Q93 PolarHBondContact O-N 2.92Å; R57-Q93 PolarHBondContact O-NE2 2.96Å; D58-Q93 PolarHBondContact OD1-OE1 3.45Å; I59-Q93 HydrophobicContact CD1-CB 3.5Å; I59-Q93 VanDerWaalsContact CD1-CB 3.5Å; I59-Q93 HydrophobicContact CG1-CB 3.47Å; I59-Q93 VanDerWaalsContact CG1-CB 3.47Å; I59-Q93 HydrophobicContact CG1-CG 4.3Å; Q93-I154 HydrophobicContact CG-CG2 3.53Å; Q93-L155 CarbonylContact C-O 3.59Å; Q93-L155 VanDerWaalsContact CA-O 3.24Å; Q93-L155 WeakPolarHBondContact CA-O 3.41Å; Q93-T156 PolarHBondContact NE2-OG1 3.15Å
94	K	98.6	Very high	95.8	Very high	53 Å²	53	39.6 Å²	39.6	23%	0.23	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.2	179.9	-177	66	171.1	177.4	0	111	I35 W36 L155	I35-K94 WeakPolarHBondContact O-CD 3.46Å; I35-K94 PolarHBondContact O-NZ 2.85Å; W36-K94 HydrophobicContact CD2-CB 3.43Å; W36-K94 VanDerWaalsContact CD2-CB 3.43Å; W36-K94 HydrophobicContact CD2-CD 4.42Å; W36-K94 HydrophobicContact CD2-CG 4.16Å; W36-K94 HydrophobicContact CE3-CB 3.49Å; W36-K94 VanDerWaalsContact CE3-CB 3.49Å; W36-K94 HydrophobicContact CG-CB 4.01Å; W36-K94 HydrophobicContact CG-CD 4.24Å; W36-K94 HydrophobicContact CG-CG 4.49Å; W36-K94 HydrophobicContact CH2-CB 3.99Å; W36-K94 HydrophobicContact CZ2-CB 3.85Å; W36-K94 HydrophobicContact CZ2-CG 4.19Å; W36-K94 HydrophobicContact CZ3-CB 3.79Å; K94-L155 PolarHBondContact N-O 3.26Å; K94-L155 PolarHBondContact O-N 3.17Å
95	N	98.3	Very high	95.5	Very high	52 Å²	52	43.7 Å²	43.7	28%	0.278	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.4	168.9	-63.3	8.3	0	0	0	110	E152 N153	N95-E152 HydrophobicContact CB-CG 4.13Å; N95-E152 VanDerWaalsContact CB-OE1 3.29Å; N95-E152 WeakPolarHBondContact CB-OE1 3.4Å; N95-E152 PolarHBondContact ND2-OE1 3.03Å; N95-N153 CarbonylContact C-O 3.18Å; N95-N153 VanDerWaalsContact CA-O 3.27Å; N95-N153 WeakPolarHBondContact CA-O 3.37Å
96	F	98.3	Very high	95.5	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164	177.8	69.2	-81.2	0	0	0	111.9	L32 L124 L147 N153 L155 L206	L32-F96 HydrophobicContact CD2-CB 3.98Å; L32-F96 HydrophobicContact CD2-CD1 4.39Å; L32-F96 HydrophobicContact CD2-CD2 3.98Å; L32-F96 HydrophobicContact CD2-CG 3.84Å; F96-L124 HydrophobicContact CE1-CD1 3.95Å; F96-L124 HydrophobicContact CZ-CD1 3.81Å; F96-L147 HydrophobicContact CE2-CD2 3.79Å; F96-L147 HydrophobicContact CZ-CD2 3.68Å; F96-N153 HydrophobicContact CD1-CB 3.99Å; F96-N153 HydrophobicContact CD2-CB 4.2Å; F96-N153 HydrophobicContact CE1-CB 3.5Å; F96-N153 VanDerWaalsContact CE1-CB 3.5Å; F96-N153 HydrophobicContact CE2-CB 3.73Å; F96-N153 HydrophobicContact CG-CB 4.32Å; F96-N153 HydrophobicContact CZ-CB 3.38Å; F96-N153 PolarHBondContact N-O 3.46Å; F96-N153 WeakPolarHBondContact O-CB 3.39Å; F96-N153 PolarHBondContact O-N 2.94Å; F96-L155 HydrophobicContact CD1-CB 4.4Å; F96-L155 HydrophobicContact CE1-CB 3.87Å; F96-L206 HydrophobicContact CD2-CD1 3.91Å; F96-L206 HydrophobicContact CE2-CD1 3.19Å; F96-L206 HydrophobicContact CZ-CD1 3.65Å
97	F	98	Very high	95.4	Very high	118 Å²	118	43.3 Å²	43.3	52%	0.518	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.1	175.6	-65.4	-92.3	0	0	0	110.7	K30 E152	K30-F97 WeakPolarHBondContact CE-O 3.45Å; K30-F97 PolarHBondContact NZ-O 3.39Å; F97-E152 HydrophobicContact CD1-CB 4.41Å; F97-E152 HydrophobicContact CE1-CB 3.71Å; F97-E152 HydrophobicContact CE1-CG 4.4Å; F97-E152 HydrophobicContact CE2-CG 4.39Å; F97-E152 HydrophobicContact CZ-CB 3.78Å; F97-E152 HydrophobicContact CZ-CG 4.04Å
98	I	95.8	Very high	95.5	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	25%	0.251	C	S	.	.			trans	-127.7	137.2	169.4	-162.4	63.1	0	0	0	110.1	K30 W102 L147 F149 G150	K30-I98 HydrophobicContact CD-CD1 4.03Å; I98-W102 HydrophobicContact CD1-CD2 3.66Å; I98-W102 HydrophobicContact CD1-CE3 3.66Å; I98-W102 HydrophobicContact CD1-CG 4.1Å; I98-W102 HydrophobicContact CD1-CH2 4.42Å; I98-W102 HydrophobicContact CD1-CZ2 4.44Å; I98-W102 HydrophobicContact CD1-CZ3 4.06Å; I98-W102 HydrophobicContact CG1-CB 4.02Å; I98-W102 HydrophobicContact CG1-CD2 4Å; I98-W102 HydrophobicContact CG1-CE3 4Å; I98-W102 HydrophobicContact CG1-CG 4.03Å; I98-L147 HydrophobicContact CG2-CB 4.49Å; I98-L147 HydrophobicContact CG2-CD1 4.45Å; I98-L147 HydrophobicContact CG2-CD2 4.38Å; I98-F149 HydrophobicContact CG2-CD1 3.74Å; I98-F149 HydrophobicContact CG2-CE1 4.17Å; I98-F149 HydrophobicContact CG2-CG 4.37Å; I98-G150 PolarHBondContact O-N 3.4Å
99	G	94.2	Very high	95.7	Very high	36 Å²	36	44 Å²	44	37%	0.371	25%	0.25	S	C	.	.			trans	-70.2	151.3	-175.8	0	0	0	0	0	112.7	A101 W102	G99-A101 PolarHBondContact O-N 2.94Å; G99-A101 VanDerWaalsContact O-N 3.15Å; G99-W102 PolarHBondContact O-N 2.87Å
100	P	94.3	Very high	95.6	Very high	88 Å²	88	43.9 Å²	43.9	57%	0.571	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-55.8	-28.8	176.6	-26.9	35.4	0	0	0	114.9	W102 Q103	P100-W102 PolarHBondContact O-N 2.88Å; P100-W102 VanDerWaalsContact O-N 3.11Å; P100-Q103 VanDerWaalsContact O-CB 3.26Å; P100-Q103 WeakPolarHBondContact O-CB 3.33Å; P100-Q103 PolarHBondContact O-N 3.3Å
101	A	93.9	Very high	95.6	Very high	71 Å²	71	44 Å²	44	59%	0.587	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58	-26.6	179.4	0	0	0	0	0	113.6	G99 Q103 S104	G99-A101 PolarHBondContact O-N 2.94Å; G99-A101 VanDerWaalsContact O-N 3.15Å; A101-Q103 VanDerWaalsContact C-N 3.27Å; A101-Q103 PolarHBondContact O-N 2.85Å; A101-S104 WeakPolarHBondContact O-CB 3.5Å
102	W	95.1	Very high	95.5	Very high	19 Å²	19	44.2 Å²	44.2	7%	0.072	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-78.8	-9.8	178.8	-75.2	41.1	0	0	0	113.2	E28 K30 I98 G99 P100 S104 V109 F149 L206	E28-W102 HydrophobicContact CB-CH2 4.41Å; E28-W102 HydrophobicContact CB-CZ2 3.69Å; E28-W102 WeakPolarHBondContact O-CH2 3.25Å; E28-W102 PolarHBondContact OE2-NE1 3.05Å; K30-W102 HydrophobicContact CB-CH2 4.27Å; I98-W102 HydrophobicContact CD1-CD2 3.66Å; I98-W102 HydrophobicContact CD1-CE3 3.66Å; I98-W102 HydrophobicContact CD1-CG 4.1Å; I98-W102 HydrophobicContact CD1-CH2 4.42Å; I98-W102 HydrophobicContact CD1-CZ2 4.44Å; I98-W102 HydrophobicContact CD1-CZ3 4.06Å; I98-W102 HydrophobicContact CG1-CB 4.02Å; I98-W102 HydrophobicContact CG1-CD2 4Å; I98-W102 HydrophobicContact CG1-CE3 4Å; I98-W102 HydrophobicContact CG1-CG 4.03Å; G99-W102 PolarHBondContact O-N 2.87Å; P100-W102 PolarHBondContact O-N 2.88Å; P100-W102 VanDerWaalsContact O-N 3.11Å; W102-S104 PolarHBondContact O-N 3.25Å; W102-V109 HydrophobicContact CB-CG2 4.23Å; W102-V109 HydrophobicContact CE3-CB 4.47Å; W102-V109 HydrophobicContact CE3-CG1 3.73Å; W102-V109 HydrophobicContact CE3-CG2 3.92Å; W102-V109 HydrophobicContact CZ3-CG1 3.97Å; W102-V109 WeakPolarHBondContact O-CG2 3.42Å; W102-F149 VanDerWaalsContact C-CE1 3.48Å; W102-F149 HydrophobicContact CB-CD1 4.22Å; W102-F149 HydrophobicContact CB-CE1 3.9Å; W102-L206 HydrophobicContact CZ3-CB 4.28Å
103	Q	94.7	Very high	95.5	Very high	113 Å²	113	44.2 Å²	44.2	53%	0.528	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-76.9	-14.4	175.6	-164.7	172.5	8.3	0	0	112.6	P100 A101 K144 F149	P100-Q103 VanDerWaalsContact O-CB 3.26Å; P100-Q103 WeakPolarHBondContact O-CB 3.33Å; P100-Q103 PolarHBondContact O-N 3.3Å; A101-Q103 VanDerWaalsContact C-N 3.27Å; A101-Q103 PolarHBondContact O-N 2.85Å; Q103-K144 WeakPolarHBondContact O-CE 3.42Å; Q103-K144 PolarHBondContact O-NZ 3.12Å; Q103-F149 HydrophobicContact CB-CB 4.15Å; Q103-F149 HydrophobicContact CB-CD1 3.75Å; Q103-F149 HydrophobicContact CB-CD2 3.77Å; Q103-F149 HydrophobicContact CB-CE1 4.06Å; Q103-F149 HydrophobicContact CB-CE2 4.08Å; Q103-F149 HydrophobicContact CB-CG 3.6Å; Q103-F149 HydrophobicContact CB-CZ 4.22Å; Q103-F149 HydrophobicContact CG-CD1 4.46Å; Q103-F149 HydrophobicContact CG-CD2 3.56Å; Q103-F149 HydrophobicContact CG-CE2 3.8Å; Q103-F149 HydrophobicContact CG-CG 3.94Å; Q103-F149 HydrophobicContact CG-CZ 4.36Å
104	S	92.6	Very high	95.4	Very high	49 Å²	49	44.4 Å²	44.4	34%	0.343	25%	0.254	S	S	.	.			trans	-48.2	141.2	-174	-170.8	0	0	0	0	113.1	A101 W102 D106 K107 K144	A101-S104 WeakPolarHBondContact O-CB 3.5Å; W102-S104 PolarHBondContact O-N 3.25Å; S104-D106 WeakPolarHBondContact CB-OD1 3.44Å; S104-D106 PolarHBondContact O-N 3.29Å; S104-D106 PolarHBondContact OG-OD1 3.43Å; S104-K107 PolarHBondContact O-N 2.78Å; S104-K144 PolarHBondContact O-NZ 2.81Å
105	T	90	Very high	95.3	Very high	131 Å²	131	41.9 Å²	41.9	80%	0.804	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18	-172.7	49.4	0	0	0	0	113.7	I211	T105-I211 WeakPolarHBondContact O-CG1 3.32Å
106	D	90.4	Very high	95.3	Very high	91 Å²	91	39.4 Å²	39.4	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.7	177.8	66.7	-25	0	0	0	114	S104 P210 I211	S104-D106 WeakPolarHBondContact CB-OD1 3.44Å; S104-D106 PolarHBondContact O-N 3.29Å; S104-D106 PolarHBondContact OG-OD1 3.43Å; D106-P210 WeakPolarHBondContact O-CA 3.48Å; D106-I211 WeakPolarHBondContact O-CG1 3.31Å; D106-I211 PolarHBondContact O-N 3.11Å
107	K	92.6	Very high	95.2	Very high	38 Å²	38	38.9 Å²	38.9	17%	0.165	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	145.5	179.8	-65.6	-177.3	179.6	-172.6	0	112.3	E28 S104 K144 V209	E28-K107 IonicContact OE1-NZ 2.7Å; E28-K107 PolarHBondContact OE1-NZ 3.01Å; S104-K107 PolarHBondContact O-N 2.78Å; K107-K144 WeakPolarHBondContact O-CE 3.47Å; K107-K144 PolarHBondContact O-NZ 2.7Å; K107-V209 CarbonylContact C-O 3.57Å; K107-V209 WeakPolarHBondContact CA-O 3.36Å
108	E	94.2	Very high	95	Very high	30 Å²	30	33.9 Å²	33.9	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.4	160.9	-174.3	54.3	-134.6	0	0	108.8	L110 S142 S208 V209 I211	E108-L110 HydrophobicContact CG-CD2 4.28Å; E108-L110 HydrophobicContact CG-CG 4.3Å; E108-S142 VanDerWaalsContact OE1-CB 3.31Å; E108-S142 WeakPolarHBondContact OE1-CB 3.42Å; E108-S142 PolarHBondContact OE1-OG 3.29Å; E108-S208 WeakPolarHBondContact O-CA 3.49Å; E108-V209 HydrophobicContact CB-CG2 3.97Å; E108-V209 PolarHBondContact N-O 2.97Å; E108-V209 PolarHBondContact O-N 3.2Å; E108-I211 HydrophobicContact CB-CD1 4.2Å
109	V	96.3	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.9	176.5	-176.4	0	0	0	0	108.9	W102 A143 K144 L147 F149 L206	W102-V109 HydrophobicContact CB-CG2 4.23Å; W102-V109 HydrophobicContact CE3-CB 4.47Å; W102-V109 HydrophobicContact CE3-CG1 3.73Å; W102-V109 HydrophobicContact CE3-CG2 3.92Å; W102-V109 HydrophobicContact CZ3-CG1 3.97Å; W102-V109 WeakPolarHBondContact O-CG2 3.42Å; V109-A143 PolarHBondContact O-N 3.27Å; V109-K144 HydrophobicContact CB-CB 4.14Å; V109-K144 HydrophobicContact CB-CG 4.49Å; V109-K144 HydrophobicContact CG2-CG 4.32Å; V109-K144 PolarHBondContact O-N 3.06Å; V109-L147 HydrophobicContact CB-CD1 4.12Å; V109-L147 HydrophobicContact CG1-CD1 3.58Å; V109-F149 HydrophobicContact CG2-CE1 4.49Å; V109-L206 HydrophobicContact CG1-CD2 3.89Å
110	L	96.5	Very high	95.2	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.7	-175	-64.8	165.4	0	0	0	109.8	E108 A141 L206 Y207 V209	E108-L110 HydrophobicContact CG-CD2 4.28Å; E108-L110 HydrophobicContact CG-CG 4.3Å; L110-A141 WeakPolarHBondContact CA-O 3.2Å; L110-L206 WeakPolarHBondContact O-CA 3.37Å; L110-Y207 HydrophobicContact CB-CD1 3.95Å; L110-Y207 HydrophobicContact CB-CE1 3.46Å; L110-Y207 VanDerWaalsContact CB-CE1 3.46Å; L110-Y207 HydrophobicContact CB-CE2 4.11Å; L110-Y207 HydrophobicContact CB-CG 4.48Å; L110-Y207 HydrophobicContact CD1-CE1 4.31Å; L110-Y207 HydrophobicContact CD1-CE2 3.64Å; L110-Y207 VanDerWaalsContact CD1-CZ 3.5Å; L110-Y207 VanDerWaalsContact CD1-OH 3.28Å; L110-Y207 WeakPolarHBondContact CD1-OH 3.23Å; L110-Y207 HydrophobicContact CG-CE2 4.46Å; L110-Y207 PolarHBondContact N-O 3.21Å; L110-Y207 WeakPolarHBondContact O-CD1 3.41Å; L110-Y207 PolarHBondContact O-N 2.7Å; L110-V209 HydrophobicContact CD1-CG2 3.71Å; L110-V209 HydrophobicContact CG-CG2 4.45Å
111	L	97.5	Very high	95.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.1	170.1	172.5	65.8	0	0	0	108.4	L32 F113 V122 Q140 A141 A143 L155 V204 L206	L32-L111 HydrophobicContact CD1-CD1 4.01Å; L111-F113 HydrophobicContact CD1-CE2 4.23Å; L111-F113 HydrophobicContact CD2-CE2 3.86Å; L111-F113 HydrophobicContact CD2-CZ 4.49Å; L111-F113 HydrophobicContact CG-CD2 4.48Å; L111-F113 HydrophobicContact CG-CE2 3.88Å; L111-V122 HydrophobicContact CD2-CG1 3.93Å; L111-Q140 CarbonylContact O-C 3.57Å; L111-Q140 WeakPolarHBondContact O-CA 3.42Å; L111-Q140 WeakPolarHBondContact O-CB 3.4Å; L111-A141 PolarHBondContact N-O 3.28Å; L111-A141 PolarHBondContact O-N 3.43Å; L111-A143 HydrophobicContact CB-CB 3.9Å; L111-L155 HydrophobicContact CD1-CD2 4.01Å; L111-L155 HydrophobicContact CD2-CD1 3.71Å; L111-L155 HydrophobicContact CD2-CD2 4.23Å; L111-V204 HydrophobicContact CD1-CG1 4.02Å; L111-L206 HydrophobicContact CB-CD2 3.93Å; L111-L206 HydrophobicContact CD1-CD2 4.21Å; L111-L206 HydrophobicContact CD1-CG 4.18Å
112	R	97.6	Very high	95.6	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.6	-179.9	172	-175.6	-174.8	77.6	-8.4	111.3	T18 F139 Q140 V204 V205 Y207 E379	T18-R112 PolarHBondContact OG1-NH1 3.26Å; R112-F139 WeakPolarHBondContact CA-O 3.49Å; R112-Q140 HydrophobicContact CB-CB 3.97Å; R112-Q140 HydrophobicContact CG-CB 4.48Å; R112-V204 WeakPolarHBondContact O-CA 3.47Å; R112-V205 HydrophobicContact CB-CG2 3.84Å; R112-V205 HydrophobicContact CG-CG2 4.27Å; R112-V205 PolarHBondContact N-O 3.13Å; R112-V205 PolarHBondContact O-N 3.36Å; R112-Y207 HydrophobicContact CB-CD1 4.37Å; R112-Y207 HydrophobicContact CB-CE1 3.92Å; R112-E379 IonicContact CZ-OE2 3.29Å; R112-E379 IonicContact NH2-OE1 3.89Å; R112-E379 PolarHBondContact NH2-OE1 3.34Å; R112-E379 IonicContact NH2-OE2 2.74Å; R112-E379 PolarHBondContact NH2-OE2 3.48Å
113	F	97.9	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129	165.1	-68.8	-101.3	0	0	0	108.2	L111 V116 V122 P138 F139 L155 V157 I200 V204	L111-F113 HydrophobicContact CD1-CE2 4.23Å; L111-F113 HydrophobicContact CD2-CE2 3.86Å; L111-F113 HydrophobicContact CD2-CZ 4.49Å; L111-F113 HydrophobicContact CG-CD2 4.48Å; L111-F113 HydrophobicContact CG-CE2 3.88Å; F113-V116 HydrophobicContact CB-CG2 4.06Å; F113-V116 HydrophobicContact CD1-CG2 3.65Å; F113-V116 HydrophobicContact CE1-CG2 4.48Å; F113-V116 HydrophobicContact CG-CG2 4.11Å; F113-V122 HydrophobicContact CD2-CG2 4.43Å; F113-V122 HydrophobicContact CE2-CB 4.49Å; F113-V122 HydrophobicContact CE2-CG1 3.95Å; F113-V122 HydrophobicContact CE2-CG2 3.76Å; F113-V122 HydrophobicContact CZ-CG1 4.09Å; F113-V122 HydrophobicContact CZ-CG2 3.97Å; F113-P138 VanDerWaalsContact O-CA 3.23Å; F113-P138 WeakPolarHBondContact O-CA 3.4Å; F113-P138 WeakPolarHBondContact O-CB 3.34Å; F113-F139 HydrophobicContact CB-CD1 4.13Å; F113-F139 HydrophobicContact CB-CD2 4.44Å; F113-F139 HydrophobicContact CB-CE1 3.6Å; F113-F139 HydrophobicContact CB-CE2 3.95Å; F113-F139 HydrophobicContact CB-CZ 3.49Å; F113-F139 VanDerWaalsContact CB-CZ 3.49Å; F113-F139 HydrophobicContact CD1-CZ 4.27Å; F113-F139 HydrophobicContact CD2-CD2 4.25Å; F113-F139 AromaticContact CD2-CE2 3.49Å; F113-F139 HydrophobicContact CD2-CE2 3.49Å; F113-F139 VanDerWaalsContact CD2-CE2 3.49Å; F113-F139 AromaticContact CD2-CZ 3.73Å; F113-F139 HydrophobicContact CD2-CZ 3.73Å; F113-F139 HydrophobicContact CE2-CE2 4.24Å; F113-F139 HydrophobicContact CG-CE1 4.2Å; F113-F139 AromaticContact CG-CE2 3.85Å; F113-F139 HydrophobicContact CG-CE2 3.85Å; F113-F139 AromaticContact CG-CZ 3.56Å; F113-F139 HydrophobicContact CG-CZ 3.56Å; F113-F139 PolarHBondContact N-O 2.79Å; F113-F139 PolarHBondContact O-N 2.5Å; F113-F139 VanDerWaalsContact O-N 3.07Å; F113-L155 HydrophobicContact CZ-CD2 4.25Å; F113-V157 HydrophobicContact CE1-CG1 4.44Å; F113-V157 HydrophobicContact CE1-CG2 3.75Å; F113-V157 HydrophobicContact CZ-CG2 3.55Å; F113-I200 HydrophobicContact CD1-CG2 4.23Å; F113-I200 HydrophobicContact CE1-CD1 4.31Å; F113-V204 HydrophobicContact CD1-CB 4.37Å; F113-V204 HydrophobicContact CD1-CG1 4Å; F113-V204 HydrophobicContact CD1-CG2 3.54Å; F113-V204 HydrophobicContact CE1-CB 4.34Å; F113-V204 HydrophobicContact CE1-CG1 3.7Å; F113-V204 HydrophobicContact CE1-CG2 3.62Å; F113-V204 HydrophobicContact CE2-CG1 4.28Å; F113-V204 HydrophobicContact CG-CG1 4.4Å; F113-V204 HydrophobicContact CG-CG2 4.44Å; F113-V204 HydrophobicContact CZ-CG1 3.85Å
114	G	96.8	Very high	96	Very high	7 Å²	7	21.2 Å²	21.2	7%	0.072	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-33.1	177	0	0	0	0	0	113.2	L137 P138 S203	G114-L137 CarbonylContact O-C 3.51Å; G114-P138 WeakPolarHBondContact O-CA 3.43Å; G114-S203 PolarHBondContact N-O 3.39Å
115	S	97	Very high	96.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	137.1	175.4	174.5	0	0	0	0	109.6	H136 H201 R202	S115-H136 WeakPolarHBondContact OG-CA 3.44Å; S115-H136 PolarHBondContact OG-N 2.82Å; S115-H136 VanDerWaalsContact OG-N 3.07Å; S115-H201 PolarHBondContact O-N 2.74Å; S115-R202 PolarHBondContact O-N 2.75Å
116	V	97.9	Very high	96.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.6	168.2	-179.7	0	0	0	0	107.4	F113 A120 F139 V159 G199 I200	F113-V116 HydrophobicContact CB-CG2 4.06Å; F113-V116 HydrophobicContact CD1-CG2 3.65Å; F113-V116 HydrophobicContact CE1-CG2 4.48Å; F113-V116 HydrophobicContact CG-CG2 4.11Å; V116-A120 HydrophobicContact CB-CB 3.94Å; V116-A120 HydrophobicContact CG1-CB 3.75Å; V116-A120 HydrophobicContact CG2-CB 4.34Å; V116-F139 HydrophobicContact CB-CE1 3.97Å; V116-F139 HydrophobicContact CB-CZ 4.26Å; V116-F139 HydrophobicContact CG2-CE1 3.76Å; V116-F139 HydrophobicContact CG2-CZ 3.77Å; V116-V159 HydrophobicContact CG1-CB 4.16Å; V116-V159 HydrophobicContact CG1-CG1 3.61Å; V116-V159 HydrophobicContact CG1-CG2 3.5Å; V116-V159 VanDerWaalsContact CG1-CG2 3.5Å; V116-G199 WeakPolarHBondContact CA-O 3.47Å; V116-I200 HydrophobicContact CG2-CG1 4.17Å; V116-I200 HydrophobicContact CG2-CG2 4.24Å
117	N	95.2	Very high	97	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.011	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.7	-179.3	-167	46.3	0	0	0	111	V159 N196 Y197 G199 H201	N117-V159 WeakPolarHBondContact O-CG1 3.48Å; N117-N196 PolarHBondContact ND2-OD1 3.49Å; N117-Y197 PolarHBondContact ND2-O 3.33Å; N117-G199 PolarHBondContact N-O 2.7Å; N117-G199 PolarHBondContact O-N 3.22Å; N117-H201 VanDerWaalsContact CB-CE1 3.48Å; N117-H201 WeakPolarHBondContact CB-CE1 3.27Å
118	Y	94.1	Very high	97.2	Very high	12 Å²	12	18.3 Å²	18.3	5%	0.047	10%	0.096	C	C	.	.	S	Bend	cis	-114.8	-51.1	2.9	-178.5	-99.8	0	0	0	113.9	E133 G134 N160 L163 T167 I168	Y118-E133 HydrophobicContact CD1-CG 4.17Å; Y118-E133 HydrophobicContact CE1-CG 3.34Å; Y118-E133 PolarHBondContact OH-OE1 2.92Å; Y118-G134 VanDerWaalsContact CE2-CA 3.43Å; Y118-G134 CarbonylContact O-C 3.53Å; Y118-G134 PolarHBondContact O-N 3.16Å; Y118-G134 VanDerWaalsContact O-N 3.12Å; Y118-N160 WeakPolarHBondContact CA-O 3.42Å; Y118-N160 WeakPolarHBondContact CB-O 3.46Å; Y118-N160 PolarHBondContact N-O 3.32Å; Y118-L163 HydrophobicContact CD1-CD2 4.46Å; Y118-L163 HydrophobicContact CD2-CD2 4.01Å; Y118-L163 HydrophobicContact CG-CD2 3.99Å; Y118-T167 HydrophobicContact CD1-CG2 4.04Å; Y118-T167 HydrophobicContact CE1-CG2 3.4Å; Y118-T167 VanDerWaalsContact CE1-CG2 3.4Å; Y118-T167 WeakPolarHBondContact OH-CA 3.22Å; Y118-I168 WeakPolarHBondContact CE2-O 3.31Å; Y118-I168 PolarHBondContact OH-N 3Å
119	V	96.9	Very high	97.4	Very high	40 Å²	40	17.9 Å²	17.9	24%	0.242	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.3	173.3	-175.8	0	0	0	0	109.3	W89 H132 E133 V159 N160	W89-V119 HydrophobicContact CH2-CB 4.42Å; W89-V119 HydrophobicContact CH2-CG1 4Å; V119-H132 WeakPolarHBondContact CA-O 3.47Å; V119-E133 HydrophobicContact CG2-CG 4.39Å; V119-V159 CarbonylContact O-C 3.53Å; V119-V159 VanDerWaalsContact O-CA 3.24Å; V119-V159 WeakPolarHBondContact O-CA 3.42Å; V119-N160 HydrophobicContact CB-CB 4.12Å; V119-N160 PolarHBondContact N-O 2.74Å; V119-N160 PolarHBondContact O-N 2.77Å
120	A	97.8	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.7	174.6	0	0	0	0	0	111.7	V116 R131 H132 F139 A158	V116-A120 HydrophobicContact CB-CB 3.94Å; V116-A120 HydrophobicContact CG1-CB 3.75Å; V116-A120 HydrophobicContact CG2-CB 4.34Å; A120-R131 CarbonylContact O-C 3.57Å; A120-R131 WeakPolarHBondContact O-CA 3.31Å; A120-H132 HydrophobicContact CB-CB 4.36Å; A120-H132 PolarHBondContact N-O 3.03Å; A120-H132 PolarHBondContact O-N 2.79Å; A120-F139 HydrophobicContact CB-CE1 4.16Å; A120-F139 HydrophobicContact CB-CE2 4.35Å; A120-F139 HydrophobicContact CB-CZ 3.59Å; A120-A158 CarbonylContact C-O 3.44Å; A120-A158 WeakPolarHBondContact CA-O 3.25Å
121	I	98.4	Very high	97.5	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125	167.5	-49.4	-178.8	0	0	0	108.3	M50 W89 W123 L128 R131 V157 A158	M50-I121 HydrophobicContact CE-CD1 4.01Å; W89-I121 HydrophobicContact CH2-CD1 3.79Å; W89-I121 HydrophobicContact CH2-CG1 4.16Å; W89-I121 HydrophobicContact CZ3-CD1 4.17Å; W89-I121 HydrophobicContact CZ3-CG1 4.25Å; I121-W123 HydrophobicContact CB-CE3 4.48Å; I121-W123 HydrophobicContact CB-CH2 3.52Å; I121-W123 HydrophobicContact CB-CZ2 4.25Å; I121-W123 HydrophobicContact CB-CZ3 3.65Å; I121-W123 HydrophobicContact CD1-CH2 4.4Å; I121-W123 HydrophobicContact CG2-CD2 4.26Å; I121-W123 HydrophobicContact CG2-CE3 4.06Å; I121-W123 HydrophobicContact CG2-CH2 3.13Å; I121-W123 HydrophobicContact CG2-CZ2 3.35Å; I121-W123 HydrophobicContact CG2-CZ3 3.52Å; I121-W123 WeakPolarHBondContact O-CZ3 3.49Å; I121-L128 HydrophobicContact CG2-CD1 3.5Å; I121-R131 HydrophobicContact CG1-CG 4.31Å; I121-R131 HydrophobicContact CG2-CG 4.06Å; I121-V157 CarbonylContact O-C 3.57Å; I121-V157 WeakPolarHBondContact O-CA 3.5Å; I121-A158 HydrophobicContact CB-CB 4.49Å; I121-A158 PolarHBondContact N-O 2.89Å; I121-A158 PolarHBondContact O-N 2.92Å
122	V	98.6	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.4	-170.7	-176.5	0	0	0	0	110.6	L111 F113 T129 V130 F139 L155 V157	L111-V122 HydrophobicContact CD2-CG1 3.93Å; F113-V122 HydrophobicContact CD2-CG2 4.43Å; F113-V122 HydrophobicContact CE2-CB 4.49Å; F113-V122 HydrophobicContact CE2-CG1 3.95Å; F113-V122 HydrophobicContact CE2-CG2 3.76Å; F113-V122 HydrophobicContact CZ-CG1 4.09Å; F113-V122 HydrophobicContact CZ-CG2 3.97Å; V122-T129 PolarHBondContact O-N 3.4Å; V122-V130 HydrophobicContact CB-CG1 3.67Å; V122-V130 HydrophobicContact CG1-CG1 4.32Å; V122-V130 HydrophobicContact CG2-CG1 3.75Å; V122-V130 PolarHBondContact N-O 2.91Å; V122-V130 PolarHBondContact O-N 2.87Å; V122-F139 HydrophobicContact CG2-CE2 4.06Å; V122-L155 HydrophobicContact CG1-CD1 3.5Å; V122-V157 HydrophobicContact CG1-CG2 4.3Å; V122-V157 HydrophobicContact CG2-CG1 4.19Å; V122-V157 HydrophobicContact CG2-CG2 4.28Å
123	W	98.7	Very high	97.2	Very high	14 Å²	14	33.9 Å²	33.9	5%	0.053	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.6	172.5	-61.6	-103.9	0	0	0	110.9	M50 F55 W91 I121 K127 T156 A158	M50-W123 HydrophobicContact CE-CH2 4.35Å; M50-W123 HydrophobicContact CG-CH2 4.35Å; F55-W123 HydrophobicContact CB-CB 3.99Å; F55-W123 HydrophobicContact CB-CD2 3.52Å; F55-W123 HydrophobicContact CB-CE3 3.9Å; F55-W123 HydrophobicContact CB-CG 3.56Å; F55-W123 HydrophobicContact CB-CZ2 4.47Å; F55-W123 HydrophobicContact CB-CZ3 4.5Å; F55-W123 HydrophobicContact CD1-CD2 4.26Å; F55-W123 AromaticContact CD1-CE2 3.68Å; F55-W123 HydrophobicContact CD1-CH2 4.29Å; F55-W123 AromaticContact CD1-CZ2 3.71Å; F55-W123 HydrophobicContact CD1-CZ2 3.71Å; F55-W123 AromaticContact CD1-NE1 3.85Å; F55-W123 AromaticContact CD2-CD1 3.53Å; F55-W123 HydrophobicContact CD2-CD2 4.46Å; F55-W123 HydrophobicContact CD2-CG 4.11Å; F55-W123 AromaticContact CD2-NE1 3.58Å; F55-W123 HydrophobicContact CE1-CZ2 4.16Å; F55-W123 AromaticContact CE2-NE1 3.94Å; F55-W123 AromaticContact CG-CD1 3.7Å; F55-W123 AromaticContact CG-CD2 3.86Å; F55-W123 HydrophobicContact CG-CD2 3.86Å; F55-W123 AromaticContact CG-CE2 3.63Å; F55-W123 AromaticContact CG-CG 3.92Å; F55-W123 HydrophobicContact CG-CG 3.92Å; F55-W123 HydrophobicContact CG-CZ2 4.15Å; F55-W123 AromaticContact CG-NE1 3.55Å; W91-W123 AromaticContact CH2-CH2 3.88Å; W91-W123 HydrophobicContact CH2-CH2 3.88Å; W91-W123 HydrophobicContact CH2-CZ3 4.04Å; W91-W123 HydrophobicContact CZ3-CE3 4.31Å; W91-W123 HydrophobicContact CZ3-CH2 4.03Å; W91-W123 AromaticContact CZ3-CZ3 3.7Å; W91-W123 HydrophobicContact CZ3-CZ3 3.7Å; I121-W123 HydrophobicContact CB-CE3 4.48Å; I121-W123 HydrophobicContact CB-CH2 3.52Å; I121-W123 HydrophobicContact CB-CZ2 4.25Å; I121-W123 HydrophobicContact CB-CZ3 3.65Å; I121-W123 HydrophobicContact CD1-CH2 4.4Å; I121-W123 HydrophobicContact CG2-CD2 4.26Å; I121-W123 HydrophobicContact CG2-CE3 4.06Å; I121-W123 HydrophobicContact CG2-CH2 3.13Å; I121-W123 HydrophobicContact CG2-CZ2 3.35Å; I121-W123 HydrophobicContact CG2-CZ3 3.52Å; I121-W123 WeakPolarHBondContact O-CZ3 3.49Å; W123-K127 CarbonylContact C-O 3.2Å; W123-K127 WeakPolarHBondContact CA-O 3.29Å; W123-T156 PolarHBondContact N-O 2.89Å; W123-T156 PolarHBondContact O-N 2.95Å; W123-A158 HydrophobicContact CH2-CB 4.11Å; W123-A158 HydrophobicContact CZ3-CB 3.71Å
124	L	98.6	Very high	96.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.1	170.4	-178.3	58.2	0	0	0	109.2	F96 G126 K127 T129 A143 F146 L147 N153 L155	F96-L124 HydrophobicContact CE1-CD1 3.95Å; F96-L124 HydrophobicContact CZ-CD1 3.81Å; L124-G126 PolarHBondContact O-N 3.27Å; L124-K127 PolarHBondContact N-O 2.73Å; L124-K127 PolarHBondContact O-N 2.89Å; L124-T129 WeakPolarHBondContact CB-OG1 3.43Å; L124-T129 PolarHBondContact N-OG1 2.85Å; L124-A143 HydrophobicContact CD2-CB 3.87Å; L124-F146 HydrophobicContact CB-CB 3.92Å; L124-F146 HydrophobicContact CD2-CB 3.61Å; L124-F146 HydrophobicContact CG-CB 3.83Å; L124-L147 HydrophobicContact CD1-CD2 4.21Å; L124-L147 HydrophobicContact CD2-CD2 3.57Å; L124-L147 HydrophobicContact CD2-CG 3.77Å; L124-L147 HydrophobicContact CG-CD2 4.39Å; L124-N153 HydrophobicContact CD1-CB 4.39Å; L124-L155 HydrophobicContact CD1-CB 4.48Å
125	N	98.3	Very high	96.7	Very high	28 Å²	28	34.3 Å²	34.3	15%	0.15	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.6	-174.7	-63.4	-42.9	0	0	0	112.6	K127 F146 N153 I154	N125-K127 PolarHBondContact O-N 3.25Å; N125-F146 PolarHBondContact ND2-O 2.81Å; N125-N153 PolarHBondContact ND2-OD1 3.48Å; N125-N153 WeakPolarHBondContact OD1-CA 3.39Å; N125-I154 PolarHBondContact N-O 2.88Å; N125-I154 PolarHBondContact OD1-N 3.43Å
126	G	97.7	Very high	96.5	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.7	179.4	0	0	0	0	0	116	F55 L124	F55-G126 VanDerWaalsContact O-CA 3.29Å; F55-G126 WeakPolarHBondContact O-CA 3.34Å; L124-G126 PolarHBondContact O-N 3.27Å
127	K	98.2	Very high	96.3	Very high	121 Å²	121	38.7 Å²	38.7	53%	0.526	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.3	176.6	-66.8	179.3	174.1	-178.2	0	110.2	W123 L124 N125 T129 F146	W123-K127 CarbonylContact C-O 3.2Å; W123-K127 WeakPolarHBondContact CA-O 3.29Å; L124-K127 PolarHBondContact N-O 2.73Å; L124-K127 PolarHBondContact O-N 2.89Å; N125-K127 PolarHBondContact O-N 3.25Å; K127-T129 PolarHBondContact O-N 3.36Å; K127-T129 PolarHBondContact O-OG1 2.68Å; K127-F146 HydrophobicContact CB-CD1 3.5Å; K127-F146 HydrophobicContact CB-CE1 3.78Å; K127-F146 HydrophobicContact CD-CD1 3.61Å; K127-F146 HydrophobicContact CD-CE1 4.05Å; K127-F146 HydrophobicContact CG-CD1 4.2Å
128	L	98.1	Very high	96.4	Very high	80 Å²	80	40.1 Å²	40.1	42%	0.419	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	122.1	177.8	178.4	66.4	0	0	0	109.6	I121 R131	I121-L128 HydrophobicContact CG2-CD1 3.5Å; L128-R131 HydrophobicContact CD1-CG 4.26Å
129	T	97.2	Very high	96.5	Very high	20 Å²	20	40.2 Å²	40.2	12%	0.123	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-47.3	-175	-55.5	0	0	0	0	111.6	V122 L124 K127 A141 F146	V122-T129 PolarHBondContact O-N 3.4Å; L124-T129 WeakPolarHBondContact CB-OG1 3.43Å; L124-T129 PolarHBondContact N-OG1 2.85Å; K127-T129 PolarHBondContact O-N 3.36Å; K127-T129 PolarHBondContact O-OG1 2.68Å; T129-A141 HydrophobicContact CG2-CB 4.05Å; T129-F146 HydrophobicContact CG2-CD2 4.08Å; T129-F146 HydrophobicContact CG2-CE2 4.14Å
130	V	96.7	Very high	96.4	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.3	-179	63.7	0	0	0	0	111.9	V122 F139 A141	V122-V130 HydrophobicContact CB-CG1 3.67Å; V122-V130 HydrophobicContact CG1-CG1 4.32Å; V122-V130 HydrophobicContact CG2-CG1 3.75Å; V122-V130 PolarHBondContact N-O 2.91Å; V122-V130 PolarHBondContact O-N 2.87Å; V130-F139 HydrophobicContact CG1-CD2 4.07Å; V130-F139 HydrophobicContact CG1-CE2 3.98Å; V130-F139 HydrophobicContact CG2-CD2 4.17Å; V130-A141 HydrophobicContact CB-CB 3.7Å; V130-A141 HydrophobicContact CG1-CB 4.28Å; V130-A141 HydrophobicContact CG2-CB 4.09Å
131	R	97.5	Very high	96.3	Very high	174 Å²	174	41.3 Å²	41.3	66%	0.657	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.9	167.4	-67.2	-176	178.3	-168.1	-1	108.9	A120 I121 L128	A120-R131 CarbonylContact O-C 3.57Å; A120-R131 WeakPolarHBondContact O-CA 3.31Å; I121-R131 HydrophobicContact CG1-CG 4.31Å; I121-R131 HydrophobicContact CG2-CG 4.06Å; L128-R131 HydrophobicContact CD1-CG 4.26Å
132	H	95.9	Very high	96.1	Very high	39 Å²	39	42.8 Å²	42.8	18%	0.181	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147	175.7	-175.9	-100.9	0	0	0	110.6	V119 A120 G134 F139	V119-H132 WeakPolarHBondContact CA-O 3.47Å; A120-H132 HydrophobicContact CB-CB 4.36Å; A120-H132 PolarHBondContact N-O 3.03Å; A120-H132 PolarHBondContact O-N 2.79Å; H132-G134 PolarHBondContact CE1-O 3.32Å; H132-G134 PolarHBondContact ND1-O 2.49Å; H132-F139 HydrophobicContact CB-CB 4.07Å; H132-F139 HydrophobicContact CB-CD1 3.5Å; H132-F139 VanDerWaalsContact CB-CD1 3.5Å; H132-F139 HydrophobicContact CB-CD2 3.71Å; H132-F139 HydrophobicContact CB-CE1 3.74Å; H132-F139 HydrophobicContact CB-CE2 3.95Å; H132-F139 HydrophobicContact CB-CG 3.47Å; H132-F139 VanDerWaalsContact CB-CG 3.47Å; H132-F139 HydrophobicContact CB-CZ 3.97Å; H132-F139 WeakPolarHBondContact CD2-CB 3.39Å; H132-F139 AromaticContact CD2-CD1 3.66Å; H132-F139 AromaticContact CD2-CG 3.65Å; H132-F139 AromaticContact CE1-CD1 3.88Å; H132-F139 AromaticContact CG-CD1 3.22Å; H132-F139 AromaticContact CG-CE1 3.8Å; H132-F139 AromaticContact CG-CG 3.48Å; H132-F139 VanDerWaalsContact CG-CG 3.48Å; H132-F139 AromaticContact ND1-CD1 3.41Å; H132-F139 WeakPolarHBondContact ND1-CD1 3.25Å; H132-F139 AromaticContact ND1-CE1 3.79Å
133	E	94.6	Very high	96	Very high	119 Å²	119	42.8 Å²	42.8	56%	0.556	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130	131.8	171.9	-176.6	-175	158.9	0	0	107.7	Y118 V119	Y118-E133 HydrophobicContact CD1-CG 4.17Å; Y118-E133 HydrophobicContact CE1-CG 3.34Å; Y118-E133 PolarHBondContact OH-OE1 2.92Å; V119-E133 HydrophobicContact CG2-CG 4.39Å
134	G	91.5	Very high	95.8	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	22%	0.222	C	C	.	.			trans	123.1	130	-176.3	0	0	0	0	0	111.4	Y118 H132	Y118-G134 VanDerWaalsContact CE2-CA 3.43Å; Y118-G134 CarbonylContact O-C 3.53Å; Y118-G134 PolarHBondContact O-N 3.16Å; Y118-G134 VanDerWaalsContact O-N 3.12Å; H132-G134 PolarHBondContact CE1-O 3.32Å; H132-G134 PolarHBondContact ND1-O 2.49Å
135	G	91.1	Very high	95.6	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	-80.6	165.2	166.9	0	0	0	0	0	111.6	L137	G135-L137 PolarHBondContact O-N 3.28Å
136	H	93.7	Very high	95.6	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.014	26%	0.261	C	S	.	.	S	Bend	trans	69	-2	165.8	-49.8	-64.8	0	0	0	117.1	S115 R202 R348 Y375	S115-H136 WeakPolarHBondContact OG-CA 3.44Å; S115-H136 PolarHBondContact OG-N 2.82Å; S115-H136 VanDerWaalsContact OG-N 3.07Å; H136-R202 PolarHBondContact O-NH1 2.72Å; H136-R348 PolarHBondContact CE1-NH1 2.74Å; H136-R348 PolarHBondContact NE2-NH1 3.44Å; H136-R348 VanDerWaalsContact NE2-NH1 3.18Å; H136-Y375 VanDerWaalsContact CD2-CB 3.47Å; H136-Y375 WeakPolarHBondContact CD2-CB 3.45Å; H136-Y375 AromaticContact CD2-CG 3.87Å; H136-Y375 AromaticContact CE1-CD2 3.56Å; H136-Y375 AromaticContact CE1-CE2 3.95Å; H136-Y375 AromaticContact CE1-CG 3.66Å; H136-Y375 AromaticContact CG-CD2 3.88Å; H136-Y375 AromaticContact CG-CG 3.86Å; H136-Y375 AromaticContact ND1-CD2 3.37Å; H136-Y375 WeakPolarHBondContact ND1-CD2 3.36Å; H136-Y375 AromaticContact ND1-CG 3.72Å; H136-Y375 AromaticContact NE2-CG 3.74Å
137	L	94.4	Very high	95.6	Very high	88 Å²	88	51.1 Å²	51.1	46%	0.461	26%	0.255	S	S	.	.	S	Bend	trans	-121.9	148.8	178.3	-67.6	176.4	0	0	0	110.8	G114 G135 P376	G114-L137 CarbonylContact O-C 3.51Å; G135-L137 PolarHBondContact O-N 3.28Å; L137-P376 HydrophobicContact CD2-CB 4.28Å; L137-P376 HydrophobicContact CD2-CG 4.11Å
138	P	96	Very high	95.6	Very high	33 Å²	33	51.8 Å²	51.8	21%	0.214	26%	0.255	C	S	.	.			trans	-84.3	156.7	-177.2	35.2	-37.4	0	0	0	112.5	F113 G114	F113-P138 VanDerWaalsContact O-CA 3.23Å; F113-P138 WeakPolarHBondContact O-CA 3.4Å; F113-P138 WeakPolarHBondContact O-CB 3.34Å; G114-P138 WeakPolarHBondContact O-CA 3.43Å
139	F	95.9	Very high	95.5	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.7	172.1	62.6	-86.1	0	0	0	111.3	R112 F113 V116 A120 V122 V130 H132	R112-F139 WeakPolarHBondContact CA-O 3.49Å; F113-F139 HydrophobicContact CB-CD1 4.13Å; F113-F139 HydrophobicContact CB-CD2 4.44Å; F113-F139 HydrophobicContact CB-CE1 3.6Å; F113-F139 HydrophobicContact CB-CE2 3.95Å; F113-F139 HydrophobicContact CB-CZ 3.49Å; F113-F139 VanDerWaalsContact CB-CZ 3.49Å; F113-F139 HydrophobicContact CD1-CZ 4.27Å; F113-F139 HydrophobicContact CD2-CD2 4.25Å; F113-F139 AromaticContact CD2-CE2 3.49Å; F113-F139 HydrophobicContact CD2-CE2 3.49Å; F113-F139 VanDerWaalsContact CD2-CE2 3.49Å; F113-F139 AromaticContact CD2-CZ 3.73Å; F113-F139 HydrophobicContact CD2-CZ 3.73Å; F113-F139 HydrophobicContact CE2-CE2 4.24Å; F113-F139 HydrophobicContact CG-CE1 4.2Å; F113-F139 AromaticContact CG-CE2 3.85Å; F113-F139 HydrophobicContact CG-CE2 3.85Å; F113-F139 AromaticContact CG-CZ 3.56Å; F113-F139 HydrophobicContact CG-CZ 3.56Å; F113-F139 PolarHBondContact N-O 2.79Å; F113-F139 PolarHBondContact O-N 2.5Å; F113-F139 VanDerWaalsContact O-N 3.07Å; V116-F139 HydrophobicContact CB-CE1 3.97Å; V116-F139 HydrophobicContact CB-CZ 4.26Å; V116-F139 HydrophobicContact CG2-CE1 3.76Å; V116-F139 HydrophobicContact CG2-CZ 3.77Å; A120-F139 HydrophobicContact CB-CE1 4.16Å; A120-F139 HydrophobicContact CB-CE2 4.35Å; A120-F139 HydrophobicContact CB-CZ 3.59Å; V122-F139 HydrophobicContact CG2-CE2 4.06Å; V130-F139 HydrophobicContact CG1-CD2 4.07Å; V130-F139 HydrophobicContact CG1-CE2 3.98Å; V130-F139 HydrophobicContact CG2-CD2 4.17Å; H132-F139 HydrophobicContact CB-CB 4.07Å; H132-F139 HydrophobicContact CB-CD1 3.5Å; H132-F139 VanDerWaalsContact CB-CD1 3.5Å; H132-F139 HydrophobicContact CB-CD2 3.71Å; H132-F139 HydrophobicContact CB-CE1 3.74Å; H132-F139 HydrophobicContact CB-CE2 3.95Å; H132-F139 HydrophobicContact CB-CG 3.47Å; H132-F139 VanDerWaalsContact CB-CG 3.47Å; H132-F139 HydrophobicContact CB-CZ 3.97Å; H132-F139 WeakPolarHBondContact CD2-CB 3.39Å; H132-F139 AromaticContact CD2-CD1 3.66Å; H132-F139 AromaticContact CD2-CG 3.65Å; H132-F139 AromaticContact CE1-CD1 3.88Å; H132-F139 AromaticContact CG-CD1 3.22Å; H132-F139 AromaticContact CG-CE1 3.8Å; H132-F139 AromaticContact CG-CG 3.48Å; H132-F139 VanDerWaalsContact CG-CG 3.48Å; H132-F139 AromaticContact ND1-CD1 3.41Å; H132-F139 WeakPolarHBondContact ND1-CD1 3.25Å; H132-F139 AromaticContact ND1-CE1 3.79Å
140	Q	95.8	Very high	95.5	Very high	44 Å²	44	51.1 Å²	51.1	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.5	-179	68	-179.9	42.1	0	0	113	T18 L111 R112 Y207	T18-Q140 HydrophobicContact CG2-CG 3.63Å; T18-Q140 VanDerWaalsContact CG2-NE2 3.29Å; L111-Q140 CarbonylContact O-C 3.57Å; L111-Q140 WeakPolarHBondContact O-CA 3.42Å; L111-Q140 WeakPolarHBondContact O-CB 3.4Å; R112-Q140 HydrophobicContact CB-CB 3.97Å; R112-Q140 HydrophobicContact CG-CB 4.48Å; Q140-Y207 PolarHBondContact NE2-OH 2.76Å; Q140-Y207 PolarHBondContact OE1-OH 3.15Å
141	A	95	Very high	95.5	Very high	20 Å²	20	52.1 Å²	52.1	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.5	170.1	0	0	0	0	0	111.9	L110 L111 T129 V130 A143	L110-A141 WeakPolarHBondContact CA-O 3.2Å; L111-A141 PolarHBondContact N-O 3.28Å; L111-A141 PolarHBondContact O-N 3.43Å; T129-A141 HydrophobicContact CG2-CB 4.05Å; V130-A141 HydrophobicContact CB-CB 3.7Å; V130-A141 HydrophobicContact CG1-CB 4.28Å; V130-A141 HydrophobicContact CG2-CB 4.09Å; A141-A143 PolarHBondContact O-N 2.94Å
142	S	94.5	Very high	95.5	Very high	43 Å²	43	47.9 Å²	47.9	30%	0.301	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	124.9	166.9	172.1	0	0	0	0	109.8	E108	E108-S142 VanDerWaalsContact OE1-CB 3.31Å; E108-S142 WeakPolarHBondContact OE1-CB 3.42Å; E108-S142 PolarHBondContact OE1-OG 3.29Å
143	A	96.2	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.			trans	-103.8	-18.9	177	0	0	0	0	0	112	V109 L111 L124 A141 N145 F146 L147 L206	V109-A143 PolarHBondContact O-N 3.27Å; L111-A143 HydrophobicContact CB-CB 3.9Å; L124-A143 HydrophobicContact CD2-CB 3.87Å; A141-A143 PolarHBondContact O-N 2.94Å; A143-N145 VanDerWaalsContact C-N 3.32Å; A143-N145 PolarHBondContact O-N 3.29Å; A143-N145 VanDerWaalsContact O-N 3.15Å; A143-F146 WeakPolarHBondContact O-CB 3.08Å; A143-F146 PolarHBondContact O-N 2.8Å; A143-L147 HydrophobicContact CB-CD1 4.14Å; A143-L147 HydrophobicContact CB-CG 4.28Å; A143-L147 WeakPolarHBondContact O-CG 3.27Å; A143-L147 PolarHBondContact O-N 3.02Å; A143-L147 VanDerWaalsContact O-N 3.14Å; A143-L206 HydrophobicContact CB-CD2 3.89Å
144	K	94.9	Very high	95.8	Very high	30 Å²	30	42.5 Å²	42.5	13%	0.13	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-51	-47.1	-167.4	-164.8	-178.7	-175.2	-178.9	0	113.5	Q103 S104 K107 V109 F146 L147 F149	Q103-K144 WeakPolarHBondContact O-CE 3.42Å; Q103-K144 PolarHBondContact O-NZ 3.12Å; S104-K144 PolarHBondContact O-NZ 2.81Å; K107-K144 WeakPolarHBondContact O-CE 3.47Å; K107-K144 PolarHBondContact O-NZ 2.7Å; V109-K144 HydrophobicContact CB-CB 4.14Å; V109-K144 HydrophobicContact CB-CG 4.49Å; V109-K144 HydrophobicContact CG2-CG 4.32Å; V109-K144 PolarHBondContact O-N 3.06Å; K144-F146 PolarHBondContact O-N 2.91Å; K144-L147 PolarHBondContact O-N 3.39Å; K144-F149 HydrophobicContact CG-CE2 4.47Å; K144-F149 HydrophobicContact CG-CZ 3.93Å
145	N	95.3	Very high	96.2	Very high	133 Å²	133	41.9 Å²	41.9	71%	0.711	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-73.6	-9.3	-177	-65.3	-29.3	0	0	0	114.3	A143	A143-N145 VanDerWaalsContact C-N 3.32Å; A143-N145 PolarHBondContact O-N 3.29Å; A143-N145 VanDerWaalsContact O-N 3.15Å
146	F	97.2	Very high	96.6	Very high	58 Å²	58	41.7 Å²	41.7	25%	0.254	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-105.7	-18.3	179.8	-54.1	-73.2	0	0	0	112.2	L124 N125 K127 T129 A143 K144	L124-F146 HydrophobicContact CB-CB 3.92Å; L124-F146 HydrophobicContact CD2-CB 3.61Å; L124-F146 HydrophobicContact CG-CB 3.83Å; N125-F146 PolarHBondContact ND2-O 2.81Å; K127-F146 HydrophobicContact CB-CD1 3.5Å; K127-F146 HydrophobicContact CB-CE1 3.78Å; K127-F146 HydrophobicContact CD-CD1 3.61Å; K127-F146 HydrophobicContact CD-CE1 4.05Å; K127-F146 HydrophobicContact CG-CD1 4.2Å; T129-F146 HydrophobicContact CG2-CD2 4.08Å; T129-F146 HydrophobicContact CG2-CE2 4.14Å; A143-F146 WeakPolarHBondContact O-CB 3.08Å; A143-F146 PolarHBondContact O-N 2.8Å; K144-F146 PolarHBondContact O-N 2.91Å
147	L	97.9	Very high	96.8	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	23%	0.227	C	C	.	.			trans	-74.5	143.7	-178.4	-71.9	169.3	0	0	0	112.5	F96 I98 V109 L124 A143 K144 F149 N153 L206	F96-L147 HydrophobicContact CE2-CD2 3.79Å; F96-L147 HydrophobicContact CZ-CD2 3.68Å; I98-L147 HydrophobicContact CG2-CB 4.49Å; I98-L147 HydrophobicContact CG2-CD1 4.45Å; I98-L147 HydrophobicContact CG2-CD2 4.38Å; V109-L147 HydrophobicContact CB-CD1 4.12Å; V109-L147 HydrophobicContact CG1-CD1 3.58Å; L124-L147 HydrophobicContact CD1-CD2 4.21Å; L124-L147 HydrophobicContact CD2-CD2 3.57Å; L124-L147 HydrophobicContact CD2-CG 3.77Å; L124-L147 HydrophobicContact CG-CD2 4.39Å; A143-L147 HydrophobicContact CB-CD1 4.14Å; A143-L147 HydrophobicContact CB-CG 4.28Å; A143-L147 WeakPolarHBondContact O-CG 3.27Å; A143-L147 PolarHBondContact O-N 3.02Å; A143-L147 VanDerWaalsContact O-N 3.14Å; K144-L147 PolarHBondContact O-N 3.39Å; L147-F149 HydrophobicContact CB-CD2 4.41Å; L147-F149 HydrophobicContact CB-CE1 4.3Å; L147-F149 HydrophobicContact CB-CE2 3.88Å; L147-F149 HydrophobicContact CB-CZ 3.81Å; L147-F149 HydrophobicContact CD1-CE1 4.17Å; L147-F149 HydrophobicContact CD1-CZ 4.06Å; L147-N153 WeakPolarHBondContact CA-OD1 3.49Å; L147-L206 HydrophobicContact CD1-CD2 4.45Å; L147-L206 HydrophobicContact CD2-CD1 4.39Å
148	R	97.8	Very high	97	Very high	135 Å²	135	37.4 Å²	37.4	51%	0.509	21%	0.205	S	C	.	.			trans	-99.4	101.8	165.9	-62.2	171.1	-177.6	170.5	0.5	107.7	A151 E152 N153	R148-A151 HydrophobicContact CB-CB 4.11Å; R148-E152 WeakPolarHBondContact CD-O 3.44Å; R148-N153 PolarHBondContact N-OD1 2.87Å; R148-N153 PolarHBondContact O-ND2 3.24Å
149	F	96.9	Very high	97.1	Very high	35 Å²	35	35.9 Å²	35.9	15%	0.154	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	136	-179.2	-61.2	-88.3	0	0	0	110.8	I98 W102 Q103 V109 K144 L147 A151	I98-F149 HydrophobicContact CG2-CD1 3.74Å; I98-F149 HydrophobicContact CG2-CE1 4.17Å; I98-F149 HydrophobicContact CG2-CG 4.37Å; W102-F149 VanDerWaalsContact C-CE1 3.48Å; W102-F149 HydrophobicContact CB-CD1 4.22Å; W102-F149 HydrophobicContact CB-CE1 3.9Å; Q103-F149 HydrophobicContact CB-CB 4.15Å; Q103-F149 HydrophobicContact CB-CD1 3.75Å; Q103-F149 HydrophobicContact CB-CD2 3.77Å; Q103-F149 HydrophobicContact CB-CE1 4.06Å; Q103-F149 HydrophobicContact CB-CE2 4.08Å; Q103-F149 HydrophobicContact CB-CG 3.6Å; Q103-F149 HydrophobicContact CB-CZ 4.22Å; Q103-F149 HydrophobicContact CG-CD1 4.46Å; Q103-F149 HydrophobicContact CG-CD2 3.56Å; Q103-F149 HydrophobicContact CG-CE2 3.8Å; Q103-F149 HydrophobicContact CG-CG 3.94Å; Q103-F149 HydrophobicContact CG-CZ 4.36Å; V109-F149 HydrophobicContact CG2-CE1 4.49Å; K144-F149 HydrophobicContact CG-CE2 4.47Å; K144-F149 HydrophobicContact CG-CZ 3.93Å; L147-F149 HydrophobicContact CB-CD2 4.41Å; L147-F149 HydrophobicContact CB-CE1 4.3Å; L147-F149 HydrophobicContact CB-CE2 3.88Å; L147-F149 HydrophobicContact CB-CZ 3.81Å; L147-F149 HydrophobicContact CD1-CE1 4.17Å; L147-F149 HydrophobicContact CD1-CZ 4.06Å; F149-A151 PolarHBondContact O-N 3.22Å
150	G	96.5	Very high	97.1	Very high	52 Å²	52	36.1 Å²	36.1	54%	0.536	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	8.5	-176.3	0	0	0	0	0	114.9	I98	I98-G150 PolarHBondContact O-N 3.4Å
151	A	97.4	Very high	97.1	Very high	43 Å²	43	34.3 Å²	34.3	36%	0.355	19%	0.189	S	C	.	.	S	Bend	trans	-136.4	171.3	179	0	0	0	0	0	111.1	R148 F149 N153	R148-A151 HydrophobicContact CB-CB 4.11Å; F149-A151 PolarHBondContact O-N 3.22Å; A151-N153 PolarHBondContact O-ND2 2.96Å
152	E	98	Very high	97	Very high	85 Å²	85	35 Å²	35	40%	0.397	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.7	178.1	-167.6	177.5	-141.5	0	0	111	N95 F97 R148	N95-E152 HydrophobicContact CB-CG 4.13Å; N95-E152 VanDerWaalsContact CB-OE1 3.29Å; N95-E152 WeakPolarHBondContact CB-OE1 3.4Å; N95-E152 PolarHBondContact ND2-OE1 3.03Å; F97-E152 HydrophobicContact CD1-CB 4.41Å; F97-E152 HydrophobicContact CE1-CB 3.71Å; F97-E152 HydrophobicContact CE1-CG 4.4Å; F97-E152 HydrophobicContact CE2-CG 4.39Å; F97-E152 HydrophobicContact CZ-CB 3.78Å; F97-E152 HydrophobicContact CZ-CG 4.04Å; R148-E152 WeakPolarHBondContact CD-O 3.44Å
153	N	98.5	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.3	174.5	-69.7	-91	0	0	0	109.8	N95 F96 L124 N125 L147 R148 A151	N95-N153 CarbonylContact C-O 3.18Å; N95-N153 VanDerWaalsContact CA-O 3.27Å; N95-N153 WeakPolarHBondContact CA-O 3.37Å; F96-N153 HydrophobicContact CD1-CB 3.99Å; F96-N153 HydrophobicContact CD2-CB 4.2Å; F96-N153 HydrophobicContact CE1-CB 3.5Å; F96-N153 VanDerWaalsContact CE1-CB 3.5Å; F96-N153 HydrophobicContact CE2-CB 3.73Å; F96-N153 HydrophobicContact CG-CB 4.32Å; F96-N153 HydrophobicContact CZ-CB 3.38Å; F96-N153 PolarHBondContact N-O 3.46Å; F96-N153 WeakPolarHBondContact O-CB 3.39Å; F96-N153 PolarHBondContact O-N 2.94Å; L124-N153 HydrophobicContact CD1-CB 4.39Å; N125-N153 PolarHBondContact ND2-OD1 3.48Å; N125-N153 WeakPolarHBondContact OD1-CA 3.39Å; L147-N153 WeakPolarHBondContact CA-OD1 3.49Å; R148-N153 PolarHBondContact N-OD1 2.87Å; R148-N153 PolarHBondContact O-ND2 3.24Å; A151-N153 PolarHBondContact O-ND2 2.96Å
154	I	98.5	Very high	96.5	Very high	45 Å²	45	35.1 Å²	35.1	23%	0.231	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.5	177	-55	177.3	0	0	0	108.4	Q93 N125	Q93-I154 HydrophobicContact CG-CG2 3.53Å; N125-I154 PolarHBondContact N-O 2.88Å; N125-I154 PolarHBondContact OD1-N 3.43Å
155	L	98.8	Very high	96.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.4	172.1	177.7	56.9	0	0	0	108.8	L32 W36 Q93 K94 F96 L111 F113 V122 L124 V157 V204	L32-L155 HydrophobicContact CD1-CD2 3.83Å; W36-L155 HydrophobicContact CH2-CD2 3.5Å; W36-L155 VanDerWaalsContact CH2-CD2 3.5Å; W36-L155 HydrophobicContact CH2-CG 3.91Å; W36-L155 HydrophobicContact CZ2-CD2 4.34Å; W36-L155 HydrophobicContact CZ3-CD2 4.21Å; W36-L155 HydrophobicContact CZ3-CG 4.1Å; Q93-L155 CarbonylContact C-O 3.59Å; Q93-L155 VanDerWaalsContact CA-O 3.24Å; Q93-L155 WeakPolarHBondContact CA-O 3.41Å; K94-L155 PolarHBondContact N-O 3.26Å; K94-L155 PolarHBondContact O-N 3.17Å; F96-L155 HydrophobicContact CD1-CB 4.4Å; F96-L155 HydrophobicContact CE1-CB 3.87Å; L111-L155 HydrophobicContact CD1-CD2 4.01Å; L111-L155 HydrophobicContact CD2-CD1 3.71Å; L111-L155 HydrophobicContact CD2-CD2 4.23Å; F113-L155 HydrophobicContact CZ-CD2 4.25Å; V122-L155 HydrophobicContact CG1-CD1 3.5Å; L124-L155 HydrophobicContact CD1-CB 4.48Å; L155-V157 HydrophobicContact CD1-CG2 4.46Å; L155-V157 HydrophobicContact CG-CG2 4.34Å; L155-V204 HydrophobicContact CD2-CG1 4.28Å
156	T	98.8	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.3	176.8	-50.6	0	0	0	0	109.9	F55 W91 Y92 Q93 W123	F55-T156 HydrophobicContact CB-CG2 4.4Å; W91-T156 HydrophobicContact CE3-CG2 3.78Å; W91-T156 HydrophobicContact CZ3-CG2 4.13Å; Y92-T156 CarbonylContact O-C 3.54Å; Y92-T156 WeakPolarHBondContact O-CA 3.12Å; Q93-T156 PolarHBondContact NE2-OG1 3.15Å; W123-T156 PolarHBondContact N-O 2.89Å; W123-T156 PolarHBondContact O-N 2.95Å
157	V	98.8	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.5	-177.6	-174.8	0	0	0	0	108.7	W36 W91 Y92 F113 I121 V122 L155 V159 I200	W36-V157 HydrophobicContact CH2-CG2 4.37Å; W36-V157 HydrophobicContact CZ3-CG2 3.94Å; W91-V157 CarbonylContact C-O 3.55Å; W91-V157 WeakPolarHBondContact CA-O 3.38Å; Y92-V157 PolarHBondContact N-O 3.4Å; Y92-V157 PolarHBondContact O-N 2.91Å; F113-V157 HydrophobicContact CE1-CG1 4.44Å; F113-V157 HydrophobicContact CE1-CG2 3.75Å; F113-V157 HydrophobicContact CZ-CG2 3.55Å; I121-V157 CarbonylContact O-C 3.57Å; I121-V157 WeakPolarHBondContact O-CA 3.5Å; V122-V157 HydrophobicContact CG1-CG2 4.3Å; V122-V157 HydrophobicContact CG2-CG1 4.19Å; V122-V157 HydrophobicContact CG2-CG2 4.28Å; L155-V157 HydrophobicContact CD1-CG2 4.46Å; L155-V157 HydrophobicContact CG-CG2 4.34Å; V157-V159 HydrophobicContact CG1-CG2 3.9Å; V157-I200 HydrophobicContact CG1-CD1 4.49Å
158	A	98.6	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.5	167.1	0	0	0	0	0	109.1	M50 W89 V90 W91 A120 I121 W123	M50-A158 HydrophobicContact CE-CB 3.5Å; M50-A158 VanDerWaalsContact CE-CB 3.5Å; W89-A158 HydrophobicContact CE3-CB 3.86Å; W89-A158 HydrophobicContact CZ3-CB 4.05Å; V90-A158 CarbonylContact O-C 3.53Å; V90-A158 VanDerWaalsContact O-CA 3.31Å; V90-A158 WeakPolarHBondContact O-CA 3.05Å; W91-A158 HydrophobicContact CD2-CB 3.93Å; W91-A158 HydrophobicContact CE3-CB 3.91Å; W91-A158 HydrophobicContact CH2-CB 3.92Å; W91-A158 HydrophobicContact CZ2-CB 3.93Å; W91-A158 HydrophobicContact CZ3-CB 3.9Å; A120-A158 CarbonylContact C-O 3.44Å; A120-A158 WeakPolarHBondContact CA-O 3.25Å; I121-A158 HydrophobicContact CB-CB 4.49Å; I121-A158 PolarHBondContact N-O 2.89Å; I121-A158 PolarHBondContact O-N 2.92Å; W123-A158 HydrophobicContact CH2-CB 4.11Å; W123-A158 HydrophobicContact CZ3-CB 3.71Å
159	V	98.4	Very high	94.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.8	-178.9	-175.8	0	0	0	0	109.3	W89 V90 Y92 V116 N117 V119 V157	W89-V159 CarbonylContact C-O 3.57Å; W89-V159 WeakPolarHBondContact CA-O 3.48Å; V90-V159 HydrophobicContact CG2-CB 3.81Å; V90-V159 PolarHBondContact N-O 3.15Å; V90-V159 PolarHBondContact O-N 2.89Å; Y92-V159 HydrophobicContact CD2-CG2 3.94Å; Y92-V159 HydrophobicContact CE2-CB 4.46Å; Y92-V159 HydrophobicContact CE2-CG2 3.91Å; V116-V159 HydrophobicContact CG1-CB 4.16Å; V116-V159 HydrophobicContact CG1-CG1 3.61Å; V116-V159 HydrophobicContact CG1-CG2 3.5Å; V116-V159 VanDerWaalsContact CG1-CG2 3.5Å; N117-V159 WeakPolarHBondContact O-CG1 3.48Å; V119-V159 CarbonylContact O-C 3.53Å; V119-V159 VanDerWaalsContact O-CA 3.24Å; V119-V159 WeakPolarHBondContact O-CA 3.42Å; V157-V159 HydrophobicContact CG1-CG2 3.9Å
160	N	96.2	Very high	94	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.9	172.5	-165.6	-39.4	0	0	0	110.3	G88 W89 Y118 V119 T162	G88-N160 WeakPolarHBondContact O-CA 3.38Å; W89-N160 HydrophobicContact CD2-CB 3.79Å; W89-N160 HydrophobicContact CE3-CB 3.61Å; W89-N160 HydrophobicContact CH2-CB 3.72Å; W89-N160 HydrophobicContact CZ2-CB 3.87Å; W89-N160 HydrophobicContact CZ3-CB 3.6Å; W89-N160 PolarHBondContact NE1-ND2 2.89Å; Y118-N160 WeakPolarHBondContact CA-O 3.42Å; Y118-N160 WeakPolarHBondContact CB-O 3.46Å; Y118-N160 PolarHBondContact N-O 3.32Å; V119-N160 HydrophobicContact CB-CB 4.12Å; V119-N160 PolarHBondContact N-O 2.74Å; V119-N160 PolarHBondContact O-N 2.77Å; N160-T162 VanDerWaalsContact OD1-CB 3.3Å; N160-T162 WeakPolarHBondContact OD1-CB 3.28Å; N160-T162 PolarHBondContact OD1-N 2.94Å; N160-T162 PolarHBondContact OD1-OG1 3.24Å
161	N	95.2	Very high	93.5	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	18%	0.182	C	C	.	.			trans	-109.2	6.3	-177.6	69.5	-29.6	0	0	0	114.6	Y74 H86 V87 G88 L163 N196 A198	Y74-N161 PolarHBondContact OH-ND2 3.48Å; H86-N161 PolarHBondContact O-ND2 3.06Å; V87-N161 WeakPolarHBondContact CA-OD1 3.38Å; G88-N161 PolarHBondContact N-OD1 2.85Å; G88-N161 PolarHBondContact O-OD1 3.32Å; N161-L163 PolarHBondContact O-N 2.9Å; N161-N196 PolarHBondContact O-ND2 2.87Å; N161-A198 HydrophobicContact CB-CB 3.39Å
162	T	93.2	Very high	92.8	Very high	35 Å²	35	35.2 Å²	35.2	22%	0.215	18%	0.182	C	C	.	.			trans	-64.3	125.7	175.4	-57	0	0	0	0	109.9	V87 N160 F173	V87-T162 HydrophobicContact CG1-CG2 4.45Å; V87-T162 VanDerWaalsContact CG1-OG1 3.29Å; V87-T162 WeakPolarHBondContact CG1-OG1 3.44Å; N160-T162 VanDerWaalsContact OD1-CB 3.3Å; N160-T162 WeakPolarHBondContact OD1-CB 3.28Å; N160-T162 PolarHBondContact OD1-N 2.94Å; N160-T162 PolarHBondContact OD1-OG1 3.24Å; T162-F173 HydrophobicContact CG2-CB 4.23Å; T162-F173 HydrophobicContact CG2-CD2 3.72Å; T162-F173 HydrophobicContact CG2-CE2 4.31Å; T162-F173 HydrophobicContact CG2-CG 4.02Å
163	L	91	Very high	91.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.174	C	C	.	.			trans	-101.2	149.1	174.2	-60.3	179.6	0	0	0	110.1	Y118 N161 T167 P169 Q188 L190 F192	Y118-L163 HydrophobicContact CD1-CD2 4.46Å; Y118-L163 HydrophobicContact CD2-CD2 4.01Å; Y118-L163 HydrophobicContact CG-CD2 3.99Å; N161-L163 PolarHBondContact O-N 2.9Å; L163-T167 WeakPolarHBondContact CA-OG1 3.33Å; L163-T167 WeakPolarHBondContact CB-OG1 3.29Å; L163-T167 HydrophobicContact CD2-CG2 4.4Å; L163-P169 HydrophobicContact CD1-CG 4.11Å; L163-Q188 VanDerWaalsContact N-OE1 3.13Å; L163-Q188 PolarHBondContact O-NE2 2.93Å; L163-L190 HydrophobicContact CB-CD2 4.3Å; L163-L190 HydrophobicContact CD1-CD2 3.69Å; L163-L190 HydrophobicContact CG-CD2 4.47Å; L163-F192 HydrophobicContact CD1-CE1 3.9Å; L163-F192 HydrophobicContact CD1-CZ 3.74Å
164	S	88.6	Confident	90.7	Very high	44 Å²	44	37.6 Å²	37.6	31%	0.308	19%	0.192	S	C	.	.			trans	-138	178.6	-179.7	80.4	0	0	0	0	110.6	D166 T167 G171	S164-D166 PolarHBondContact O-N 3.14Å; S164-D166 PolarHBondContact OG-N 3.37Å; S164-T167 PolarHBondContact N-OG1 3.48Å; S164-T167 PolarHBondContact O-N 2.98Å; S164-T167 VanDerWaalsContact O-N 3.15Å; S164-T167 PolarHBondContact O-OG1 3.36Å; S164-G171 CarbonylContact C-O 3.48Å; S164-G171 WeakPolarHBondContact CA-O 3.48Å; S164-G171 PolarHBondContact O-N 3Å
165	H	86.4	Confident	89.3	Confident	131 Å²	131	41.7 Å²	41.7	61%	0.606	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.1	175.4	-66.9	-74.2	0	0	0	113.1	G171 E172	H165-G171 PolarHBondContact N-O 2.94Å; H165-E172 IonicContact CE1-OE1 3.19Å; H165-E172 PolarHBondContact CE1-OE1 3.21Å; H165-E172 IonicContact NE2-OE1 3.95Å
166	D	87.8	Confident	87.6	Confident	142 Å²	142	46 Å²	46	76%	0.759	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.4	-179.8	-62.5	-43.8	0	0	0	112.7	S164	S164-D166 PolarHBondContact O-N 3.14Å; S164-D166 PolarHBondContact OG-N 3.37Å
167	T	90.1	Very high	85.5	Confident	10 Å²	10	54.4 Å²	54.4	6%	0.061	27%	0.274	C	S	.	.	S	Bend	trans	-82.9	160.2	179	62.9	0	0	0	0	112.3	Y118 L163 S164 P169 H170	Y118-T167 HydrophobicContact CD1-CG2 4.04Å; Y118-T167 HydrophobicContact CE1-CG2 3.4Å; Y118-T167 VanDerWaalsContact CE1-CG2 3.4Å; Y118-T167 WeakPolarHBondContact OH-CA 3.22Å; L163-T167 WeakPolarHBondContact CA-OG1 3.33Å; L163-T167 WeakPolarHBondContact CB-OG1 3.29Å; L163-T167 HydrophobicContact CD2-CG2 4.4Å; S164-T167 PolarHBondContact N-OG1 3.48Å; S164-T167 PolarHBondContact O-N 2.98Å; S164-T167 VanDerWaalsContact O-N 3.15Å; S164-T167 PolarHBondContact O-OG1 3.36Å; T167-P169 CarbonylContact C-O 3.6Å; T167-P169 WeakPolarHBondContact CB-O 3.4Å; T167-P169 CarbonylContact O-C 2.82Å; T167-P169 PolarHBondContact OG1-O 2.81Å; T167-H170 WeakPolarHBondContact O-CA 3.31Å; T167-H170 PolarHBondContact O-N 3.29Å
168	I	89.2	Confident	83.2	Confident	70 Å²	70	56.6 Å²	56.6	36%	0.359	29%	0.289	S	S	.	.	S	Bend	trans	-125.7	106.5	172.6	-58.1	-176.5	0	0	0	108.6	Y118 P397 A398	Y118-I168 WeakPolarHBondContact CE2-O 3.31Å; Y118-I168 PolarHBondContact OH-N 3Å; I168-P397 HydrophobicContact CG2-CB 3.86Å; I168-P397 HydrophobicContact CG2-CG 3.75Å; I168-P397 WeakPolarHBondContact CG2-O 3.47Å; I168-A398 HydrophobicContact CG2-CB 3.82Å
169	P	87.9	Confident	81.1	Confident	14 Å²	14	61.8 Å²	61.8	9%	0.091	33%	0.325	C	S	.	.	S	Bend	cis	-70.5	158.6	5.1	31	-35.6	0	0	0	112.8	L163 T167 F192 P397	L163-P169 HydrophobicContact CD1-CG 4.11Å; T167-P169 CarbonylContact C-O 3.6Å; T167-P169 WeakPolarHBondContact CB-O 3.4Å; T167-P169 CarbonylContact O-C 2.82Å; T167-P169 PolarHBondContact OG1-O 2.81Å; P169-F192 HydrophobicContact CB-CD1 3.84Å; P169-F192 HydrophobicContact CB-CE1 3.72Å; P169-F192 HydrophobicContact CG-CD1 4.13Å; P169-F192 HydrophobicContact CG-CE1 3.6Å; P169-F192 HydrophobicContact CG-CZ 4.06Å; P169-P397 WeakPolarHBondContact CA-O 3.32Å
170	H	86.3	Confident	79.2	Confident	62 Å²	62	72.5 Å²	72.5	29%	0.287	37%	0.367	S	S	.	.			trans	-73.6	154	177.3	65.9	-84.5	0	0	0	110.6	T167 D191	T167-H170 WeakPolarHBondContact O-CA 3.31Å; T167-H170 PolarHBondContact O-N 3.29Å; H170-D191 IonicContact NE2-OD2 3.94Å
171	G	85.6	Confident	77.3	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	176.1	169	0	0	0	0	0	110.4	S164 H165 V189	S164-G171 CarbonylContact C-O 3.48Å; S164-G171 WeakPolarHBondContact CA-O 3.48Å; S164-G171 PolarHBondContact O-N 3Å; H165-G171 PolarHBondContact N-O 2.94Å; G171-V189 CarbonylContact C-O 3.59Å; G171-V189 WeakPolarHBondContact CA-O 3.45Å
172	E	83.5	Confident	75	Confident	75 Å²	75	85 Å²	85	35%	0.35	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.2	171.2	-44.1	-174.9	158.8	0	0	108.8	H165 Q188 V189	H165-E172 IonicContact CE1-OE1 3.19Å; H165-E172 PolarHBondContact CE1-OE1 3.21Å; H165-E172 IonicContact NE2-OE1 3.95Å; E172-Q188 CarbonylContact O-C 3.55Å; E172-Q188 WeakPolarHBondContact O-CA 3.47Å; E172-Q188 PolarHBondContact O-NE2 2.84Å; E172-Q188 VanDerWaalsContact O-NE2 3.1Å; E172-V189 HydrophobicContact CB-CB 4.1Å; E172-V189 PolarHBondContact N-O 3.29Å; E172-V189 PolarHBondContact O-N 2.8Å
173	F	79.2	Confident	73.1	Confident	53 Å²	53	87.8 Å²	87.8	23%	0.232	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105	174.9	-172.4	-91.7	0	0	0	108.2	N44 V87 T162 H175 F186	N44-F173 HydrophobicContact CB-CZ 4.14Å; N44-F173 VanDerWaalsContact CG-CZ 3.47Å; N44-F173 WeakPolarHBondContact OD1-CZ 3.43Å; V87-F173 HydrophobicContact CG1-CD2 4.25Å; V87-F173 HydrophobicContact CG1-CE2 3.74Å; T162-F173 HydrophobicContact CG2-CB 4.23Å; T162-F173 HydrophobicContact CG2-CD2 3.72Å; T162-F173 HydrophobicContact CG2-CE2 4.31Å; T162-F173 HydrophobicContact CG2-CG 4.02Å; F173-H175 AromaticContact CE1-CD2 3.95Å; F173-H175 AromaticContact CE1-NE2 3.78Å; F173-F186 HydrophobicContact CD2-CD2 4.34Å; F173-F186 HydrophobicContact CE1-CB 3.99Å; F173-F186 HydrophobicContact CE1-CG 4.38Å; F173-F186 HydrophobicContact CE2-CB 4.06Å; F173-F186 AromaticContact CE2-CD2 3.29Å; F173-F186 HydrophobicContact CE2-CD2 3.29Å; F173-F186 AromaticContact CE2-CE2 3.98Å; F173-F186 HydrophobicContact CE2-CE2 3.98Å; F173-F186 AromaticContact CE2-CG 3.8Å; F173-F186 HydrophobicContact CE2-CG 3.8Å; F173-F186 HydrophobicContact CZ-CB 3.52Å; F173-F186 HydrophobicContact CZ-CD1 4.24Å; F173-F186 AromaticContact CZ-CD2 3.48Å; F173-F186 HydrophobicContact CZ-CD2 3.48Å; F173-F186 VanDerWaalsContact CZ-CD2 3.48Å; F173-F186 HydrophobicContact CZ-CE2 4.32Å; F173-F186 AromaticContact CZ-CG 3.45Å; F173-F186 HydrophobicContact CZ-CG 3.45Å; F173-F186 VanDerWaalsContact CZ-CG 3.45Å
174	E	73.2	Confident	71.5	Confident	81 Å²	81	90.2 Å²	90.2	38%	0.379	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.4	-177.2	-65	-169.9	151.9	0	0	110.8	K176 F186 V187	E174-K176 PolarHBondContact O-N 3.38Å; E174-K176 VanDerWaalsContact OE2-CE 3.26Å; E174-K176 WeakPolarHBondContact OE2-CE 3.25Å; E174-F186 CarbonylContact O-C 3.41Å; E174-F186 WeakPolarHBondContact O-CA 3.25Å; E174-F186 WeakPolarHBondContact O-CB 3.38Å; E174-V187 PolarHBondContact N-O 2.98Å; E174-V187 PolarHBondContact O-N 3.29Å
175	H	69.2	Low	70.4	Confident	131 Å²	131	93.2 Å²	93.2	61%	0.606	47%	0.474	S	S	*	.			trans	-74.3	111.1	164.1	-82.9	-91.2	0	0	0	109.5	N44 F173 D185	N44-H175 PolarHBondContact ND2-CE1 3.06Å; N44-H175 PolarHBondContact ND2-NE2 3.08Å; F173-H175 AromaticContact CE1-CD2 3.95Å; F173-H175 AromaticContact CE1-NE2 3.78Å; H175-D185 WeakPolarHBondContact CA-O 3.46Å; H175-D185 PolarHBondContact ND1-O 3.45Å
176	K	62.4	Low	69.9	Low	90 Å²	90	88.9 Å²	88.9	39%	0.391	45%	0.453	S	S	.	.			trans	-96.6	106.3	176.3	-74.1	-163.4	179.8	175.7	0	110.3	E174 S178 D185 V187	E174-K176 PolarHBondContact O-N 3.38Å; E174-K176 VanDerWaalsContact OE2-CE 3.26Å; E174-K176 WeakPolarHBondContact OE2-CE 3.25Å; K176-S178 PolarHBondContact O-N 3.41Å; K176-D185 PolarHBondContact N-O 2.93Å; K176-V187 HydrophobicContact CD-CG2 3.75Å; K176-V187 HydrophobicContact CG-CG2 4.15Å
177	N	54.3	Low	69.1	Low	178 Å²	178	84.3 Å²	84.3	95%	0.952	43%	0.43	S	S	*	.			trans	-74.5	68.3	153.8	-89	-21.4	0	0	0	109
178	S	50.2	Low	68.7	Low	45 Å²	45	85.3 Å²	85.3	32%	0.315	43%	0.434	S	S	.	.			trans	-95.4	125.6	179.1	139.2	0	0	0	0	110.4	K176 Y180 C181	K176-S178 PolarHBondContact O-N 3.41Å; S178-Y180 PolarHBondContact O-N 2.87Å; S178-Y180 PolarHBondContact OG-N 3.09Å; S178-C181 PolarHBondContact OG-N 2.94Å
179	S	56.1	Low	68.2	Low	109 Å²	109	84.6 Å²	84.6	76%	0.762	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.5	173.3	52.6	0	0	0	0	113.9
180	Y	57	Low	68.1	Low	226 Å²	226	85.6 Å²	85.6	89%	0.886	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-19.8	-176	-84.9	-85.8	0	0	0	114.5	S178	S178-Y180 PolarHBondContact O-N 2.87Å; S178-Y180 PolarHBondContact OG-N 3.09Å
181	C	56.2	Low	68	Low	41 Å²	41	88.9 Å²	88.9	28%	0.277	46%	0.457	S	S	.	.			trans	-131.1	97.2	175	-174.8	0	0	0	0	109.8	S178 A183 C184	S178-C181 PolarHBondContact OG-N 2.94Å; C181-A183 PolarHBondContact O-N 3.19Å; C181-C184 HydrophobicContact CB-CB 3.62Å; C181-C184 WeakPolarHBondContact CB-SG 3.5Å; C181-C184 PolarHBondContact O-N 3.49Å; C181-C184 WeakPolarHBondContact SG-CB 3.14Å; C181-C184 PolarHBondContact SG-N 2.93Å; C181-C184 CovalentContact SG-SG 2.04Å; C181-C184 PolarHBondContact SG-SG 3.41Å
182	R	47.2	Very low	68.1	Low	246 Å²	246	90.7 Å²	90.7	93%	0.928	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.5	176.3	-68.4	-173.6	-162.7	174.7	5.2	114.1
183	A	52.8	Low	68.5	Low	93 Å²	93	89.7 Å²	89.7	77%	0.769	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	0.3	-178.6	0	0	0	0	0	113.3	C181	C181-A183 PolarHBondContact O-N 3.19Å
184	C	59	Low	69.1	Low	52 Å²	52	87.7 Å²	87.7	35%	0.351	45%	0.453	S	S	.	.			trans	-111.5	77.8	-177.2	-48	0	0	0	0	109	C181 F186	C181-C184 HydrophobicContact CB-CB 3.62Å; C181-C184 WeakPolarHBondContact CB-SG 3.5Å; C181-C184 PolarHBondContact O-N 3.49Å; C181-C184 WeakPolarHBondContact SG-CB 3.14Å; C181-C184 PolarHBondContact SG-N 2.93Å; C181-C184 CovalentContact SG-SG 2.04Å; C181-C184 PolarHBondContact SG-SG 3.41Å; C184-F186 PolarHBondContact O-N 2.92Å
185	D	65.7	Low	70.2	Confident	108 Å²	108	84.3 Å²	84.3	58%	0.578	44%	0.437	S	S	*	.	S	Bend	trans	-67.6	-16.2	177.7	-68.4	-24.4	0	0	0	112.3	H175 K176	H175-D185 WeakPolarHBondContact CA-O 3.46Å; H175-D185 PolarHBondContact ND1-O 3.45Å; K176-D185 PolarHBondContact N-O 2.93Å
186	F	75.2	Confident	71.4	Confident	40 Å²	40	78.8 Å²	78.8	18%	0.175	41%	0.412	C	S	.	.			trans	-153.5	163.5	179	62.3	-87.2	0	0	0	111.8	N44 V87 F173 E174 C184	N44-F186 HydrophobicContact CB-CD1 3.52Å; N44-F186 HydrophobicContact CB-CE1 3.41Å; N44-F186 VanDerWaalsContact CB-CE1 3.41Å; N44-F186 HydrophobicContact CB-CG 4.22Å; N44-F186 HydrophobicContact CB-CZ 4.05Å; V87-F186 HydrophobicContact CB-CE2 3.61Å; V87-F186 HydrophobicContact CB-CZ 4.14Å; V87-F186 HydrophobicContact CG1-CE2 4.23Å; V87-F186 HydrophobicContact CG2-CE2 3.85Å; F173-F186 HydrophobicContact CD2-CD2 4.34Å; F173-F186 HydrophobicContact CE1-CB 3.99Å; F173-F186 HydrophobicContact CE1-CG 4.38Å; F173-F186 HydrophobicContact CE2-CB 4.06Å; F173-F186 AromaticContact CE2-CD2 3.29Å; F173-F186 HydrophobicContact CE2-CD2 3.29Å; F173-F186 AromaticContact CE2-CE2 3.98Å; F173-F186 HydrophobicContact CE2-CE2 3.98Å; F173-F186 AromaticContact CE2-CG 3.8Å; F173-F186 HydrophobicContact CE2-CG 3.8Å; F173-F186 HydrophobicContact CZ-CB 3.52Å; F173-F186 HydrophobicContact CZ-CD1 4.24Å; F173-F186 AromaticContact CZ-CD2 3.48Å; F173-F186 HydrophobicContact CZ-CD2 3.48Å; F173-F186 VanDerWaalsContact CZ-CD2 3.48Å; F173-F186 HydrophobicContact CZ-CE2 4.32Å; F173-F186 AromaticContact CZ-CG 3.45Å; F173-F186 HydrophobicContact CZ-CG 3.45Å; F173-F186 VanDerWaalsContact CZ-CG 3.45Å; E174-F186 CarbonylContact O-C 3.41Å; E174-F186 WeakPolarHBondContact O-CA 3.25Å; E174-F186 WeakPolarHBondContact O-CB 3.38Å; C184-F186 PolarHBondContact O-N 2.92Å
187	V	71.6	Confident	73	Confident	45 Å²	45	74.5 Å²	74.5	27%	0.273	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.5	173	-180	0	0	0	0	109	E174 K176 V189	E174-V187 PolarHBondContact N-O 2.98Å; E174-V187 PolarHBondContact O-N 3.29Å; K176-V187 HydrophobicContact CD-CG2 3.75Å; K176-V187 HydrophobicContact CG-CG2 4.15Å; V187-V189 HydrophobicContact CG1-CG2 3.9Å
188	Q	80.1	Confident	75.1	Confident	31 Å²	31	66 Å²	66	15%	0.145	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.3	165.3	-175.6	79.5	68.2	0	0	107.5	V87 L163 E172 L190	V87-Q188 HydrophobicContact CG2-CB 4.29Å; L163-Q188 VanDerWaalsContact N-OE1 3.13Å; L163-Q188 PolarHBondContact O-NE2 2.93Å; E172-Q188 CarbonylContact O-C 3.55Å; E172-Q188 WeakPolarHBondContact O-CA 3.47Å; E172-Q188 PolarHBondContact O-NE2 2.84Å; E172-Q188 VanDerWaalsContact O-NE2 3.1Å; Q188-L190 HydrophobicContact CG-CD1 4.46Å; Q188-L190 HydrophobicContact CG-CD2 3.72Å; Q188-L190 HydrophobicContact CG-CG 4.07Å
189	V	80.5	Confident	77.4	Confident	56 Å²	56	63.9 Å²	63.9	34%	0.339	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.9	175.7	-174.6	0	0	0	0	108.3	G171 E172 V187	G171-V189 CarbonylContact C-O 3.59Å; G171-V189 WeakPolarHBondContact CA-O 3.45Å; E172-V189 HydrophobicContact CB-CB 4.1Å; E172-V189 PolarHBondContact N-O 3.29Å; E172-V189 PolarHBondContact O-N 2.8Å; V187-V189 HydrophobicContact CG1-CG2 3.9Å
190	L	85.1	Confident	79.4	Confident	34 Å²	34	58.7 Å²	58.7	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.4	-175.6	-56.9	177.8	0	0	0	109.1	L163 Q188 F192 N196 D535	L163-L190 HydrophobicContact CB-CD2 4.3Å; L163-L190 HydrophobicContact CD1-CD2 3.69Å; L163-L190 HydrophobicContact CG-CD2 4.47Å; Q188-L190 HydrophobicContact CG-CD1 4.46Å; Q188-L190 HydrophobicContact CG-CD2 3.72Å; Q188-L190 HydrophobicContact CG-CG 4.07Å; L190-F192 HydrophobicContact CB-CD1 4.4Å; L190-F192 HydrophobicContact CB-CE1 4.02Å; L190-F192 HydrophobicContact CB-CE2 4.25Å; L190-F192 HydrophobicContact CB-CZ 3.95Å; L190-F192 HydrophobicContact CD1-CE2 3.92Å; L190-F192 HydrophobicContact CD1-CZ 3.71Å; L190-F192 HydrophobicContact CD2-CE1 3.87Å; L190-F192 HydrophobicContact CD2-CZ 3.73Å; L190-F192 HydrophobicContact CG-CE1 4.36Å; L190-F192 HydrophobicContact CG-CZ 4Å; L190-N196 HydrophobicContact CD1-CB 3.69Å; L190-D535 WeakPolarHBondContact CD1-OD2 3.4Å
191	D	84.1	Confident	81.4	Confident	131 Å²	131	48 Å²	48	70%	0.701	26%	0.255	S	S	*	.			trans	-112.4	42.5	-179.9	-163.4	22.3	0	0	0	111.6	H170	H170-D191 IonicContact NE2-OD2 3.94Å
192	F	88.8	Confident	83.4	Confident	40 Å²	40	46.4 Å²	46.4	18%	0.175	24%	0.243	C	C	.	.	S	Bend	trans	-142.7	147.9	176.8	51.7	-103.5	0	0	0	111.8	L163 P169 L190 F194 N196	L163-F192 HydrophobicContact CD1-CE1 3.9Å; L163-F192 HydrophobicContact CD1-CZ 3.74Å; P169-F192 HydrophobicContact CB-CD1 3.84Å; P169-F192 HydrophobicContact CB-CE1 3.72Å; P169-F192 HydrophobicContact CG-CD1 4.13Å; P169-F192 HydrophobicContact CG-CE1 3.6Å; P169-F192 HydrophobicContact CG-CZ 4.06Å; L190-F192 HydrophobicContact CB-CD1 4.4Å; L190-F192 HydrophobicContact CB-CE1 4.02Å; L190-F192 HydrophobicContact CB-CE2 4.25Å; L190-F192 HydrophobicContact CB-CZ 3.95Å; L190-F192 HydrophobicContact CD1-CE2 3.92Å; L190-F192 HydrophobicContact CD1-CZ 3.71Å; L190-F192 HydrophobicContact CD2-CE1 3.87Å; L190-F192 HydrophobicContact CD2-CZ 3.73Å; L190-F192 HydrophobicContact CG-CE1 4.36Å; L190-F192 HydrophobicContact CG-CZ 4Å; F192-F194 HydrophobicContact CB-CD1 4.23Å; F192-F194 HydrophobicContact CB-CE1 3.75Å; F192-F194 HydrophobicContact CB-CZ 4Å; F192-F194 HydrophobicContact CD1-CZ 4.36Å; F192-F194 HydrophobicContact CD2-CD1 4.01Å; F192-F194 AromaticContact CD2-CD2 3.38Å; F192-F194 HydrophobicContact CD2-CD2 3.38Å; F192-F194 AromaticContact CD2-CE1 3.81Å; F192-F194 HydrophobicContact CD2-CE1 3.81Å; F192-F194 AromaticContact CD2-CE2 3.22Å; F192-F194 HydrophobicContact CD2-CE2 3.22Å; F192-F194 AromaticContact CD2-CG 3.85Å; F192-F194 HydrophobicContact CD2-CG 3.85Å; F192-F194 AromaticContact CD2-CZ 3.44Å; F192-F194 HydrophobicContact CD2-CZ 3.44Å; F192-F194 VanDerWaalsContact CD2-CZ 3.44Å; F192-F194 WeakPolarHBondContact CD2-O 3.27Å; F192-F194 AromaticContact CE2-CD2 3.54Å; F192-F194 HydrophobicContact CE2-CD2 3.54Å; F192-F194 AromaticContact CE2-CE2 3.29Å; F192-F194 HydrophobicContact CE2-CE2 3.29Å; F192-F194 HydrophobicContact CE2-CG 4.42Å; F192-F194 AromaticContact CE2-CZ 3.92Å; F192-F194 HydrophobicContact CE2-CZ 3.92Å; F192-F194 WeakPolarHBondContact CE2-O 3.29Å; F192-F194 HydrophobicContact CG-CD1 4.47Å; F192-F194 HydrophobicContact CG-CD2 4.41Å; F192-F194 AromaticContact CG-CE1 3.94Å; F192-F194 HydrophobicContact CG-CE1 3.94Å; F192-F194 AromaticContact CG-CE2 3.94Å; F192-F194 HydrophobicContact CG-CE2 3.94Å; F192-F194 AromaticContact CG-CZ 3.68Å; F192-F194 HydrophobicContact CG-CZ 3.68Å; F192-F194 HydrophobicContact CZ-CE2 4.05Å; F192-F194 PolarHBondContact O-N 2.83Å; F192-N196 HydrophobicContact CE2-CB 4.36Å; F192-N196 HydrophobicContact CZ-CB 4.36Å
193	D	90.4	Very high	85.8	Confident	54 Å²	54	35.8 Å²	35.8	29%	0.289	21%	0.206	S	C	.	.	S	Bend	trans	-93.5	51.9	-171.9	-170.5	37.6	0	0	0	112.8	F532 T534 R540 N544	D193-F532 WeakPolarHBondContact O-CE2 3.29Å; D193-T534 WeakPolarHBondContact OD1-CG2 3.41Å; D193-R540 IonicContact OD1-CZ 3.53Å; D193-R540 VanDerWaalsContact OD1-CZ 3.3Å; D193-R540 IonicContact OD1-NE 2.82Å; D193-R540 PolarHBondContact OD1-NE 3Å; D193-R540 IonicContact OD1-NH2 3.59Å; D193-R540 PolarHBondContact OD1-NH2 3.15Å; D193-R540 IonicContact OD2-CZ 3.19Å; D193-R540 IonicContact OD2-NE 2.94Å; D193-R540 PolarHBondContact OD2-NE 2.75Å; D193-R540 IonicContact OD2-NH2 3.48Å; D193-R540 PolarHBondContact OD2-NH2 2.66Å; D193-N544 PolarHBondContact OD2-ND2 3.19Å
194	F	93.1	Very high	88	Confident	10 Å²	10	31.3 Å²	31.3	4%	0.044	17%	0.17	C	C	.	.	S	Bend	trans	-152.1	152.3	171.9	53	-103.2	0	0	0	110.3	F192 N196 H340 R348 H374 Y375 F532	F192-F194 HydrophobicContact CB-CD1 4.23Å; F192-F194 HydrophobicContact CB-CE1 3.75Å; F192-F194 HydrophobicContact CB-CZ 4Å; F192-F194 HydrophobicContact CD1-CZ 4.36Å; F192-F194 HydrophobicContact CD2-CD1 4.01Å; F192-F194 AromaticContact CD2-CD2 3.38Å; F192-F194 HydrophobicContact CD2-CD2 3.38Å; F192-F194 AromaticContact CD2-CE1 3.81Å; F192-F194 HydrophobicContact CD2-CE1 3.81Å; F192-F194 AromaticContact CD2-CE2 3.22Å; F192-F194 HydrophobicContact CD2-CE2 3.22Å; F192-F194 AromaticContact CD2-CG 3.85Å; F192-F194 HydrophobicContact CD2-CG 3.85Å; F192-F194 AromaticContact CD2-CZ 3.44Å; F192-F194 HydrophobicContact CD2-CZ 3.44Å; F192-F194 VanDerWaalsContact CD2-CZ 3.44Å; F192-F194 WeakPolarHBondContact CD2-O 3.27Å; F192-F194 AromaticContact CE2-CD2 3.54Å; F192-F194 HydrophobicContact CE2-CD2 3.54Å; F192-F194 AromaticContact CE2-CE2 3.29Å; F192-F194 HydrophobicContact CE2-CE2 3.29Å; F192-F194 HydrophobicContact CE2-CG 4.42Å; F192-F194 AromaticContact CE2-CZ 3.92Å; F192-F194 HydrophobicContact CE2-CZ 3.92Å; F192-F194 WeakPolarHBondContact CE2-O 3.29Å; F192-F194 HydrophobicContact CG-CD1 4.47Å; F192-F194 HydrophobicContact CG-CD2 4.41Å; F192-F194 AromaticContact CG-CE1 3.94Å; F192-F194 HydrophobicContact CG-CE1 3.94Å; F192-F194 AromaticContact CG-CE2 3.94Å; F192-F194 HydrophobicContact CG-CE2 3.94Å; F192-F194 AromaticContact CG-CZ 3.68Å; F192-F194 HydrophobicContact CG-CZ 3.68Å; F192-F194 HydrophobicContact CZ-CE2 4.05Å; F192-F194 PolarHBondContact O-N 2.83Å; F194-N196 PolarHBondContact O-N 3.43Å; F194-H340 AromaticContact CD1-CE1 3.65Å; F194-H340 AromaticContact CG-CE1 3.95Å; F194-R348 VanDerWaalsContact CG-NH2 3.26Å; F194-H374 AromaticContact CD1-CD2 3.9Å; F194-H374 HydrophobicContact CE1-CB 3.87Å; F194-H374 AromaticContact CE1-CD2 3.85Å; F194-Y375 HydrophobicContact CZ-CD1 4.37Å; F194-Y375 HydrophobicContact CZ-CE1 4.41Å; F194-F532 HydrophobicContact CB-CD2 4.46Å; F194-F532 HydrophobicContact CB-CE2 4.11Å
195	F	95.1	Very high	89.8	Confident	11 Å²	11	29.4 Å²	29.4	5%	0.048	16%	0.156	C	C	.	.			trans	-67.3	133.9	-178.4	-169.2	-97.1	0	0	0	110.7	N75 R84 Y197 M533 T534 D535	N75-F195 HydrophobicContact CB-CE1 3.79Å; N75-F195 HydrophobicContact CB-CZ 4.45Å; R84-F195 HydrophobicContact CG-CZ 4.15Å; F195-Y197 HydrophobicContact CB-CD2 4.04Å; F195-Y197 HydrophobicContact CB-CE2 3.86Å; F195-Y197 AromaticContact CD1-CD1 3.52Å; F195-Y197 HydrophobicContact CD1-CD1 3.52Å; F195-Y197 AromaticContact CD1-CD2 3.77Å; F195-Y197 HydrophobicContact CD1-CD2 3.77Å; F195-Y197 AromaticContact CD1-CE1 3.58Å; F195-Y197 HydrophobicContact CD1-CE1 3.58Å; F195-Y197 AromaticContact CD1-CE2 3.84Å; F195-Y197 HydrophobicContact CD1-CE2 3.84Å; F195-Y197 AromaticContact CD1-CG 3.62Å; F195-Y197 HydrophobicContact CD1-CG 3.62Å; F195-Y197 AromaticContact CD1-CZ 3.73Å; F195-Y197 AromaticContact CE1-CD1 3.85Å; F195-Y197 HydrophobicContact CE1-CD1 3.85Å; F195-Y197 AromaticContact CE1-CE1 3.92Å; F195-Y197 HydrophobicContact CE1-CE1 3.92Å; F195-Y197 HydrophobicContact CE1-CG 4.32Å; F195-Y197 HydrophobicContact CG-CD2 4.38Å; F195-Y197 HydrophobicContact CG-CE2 4.23Å; F195-Y197 PolarHBondContact O-N 2.88Å; F195-M533 HydrophobicContact CB-CB 4.09Å; F195-M533 HydrophobicContact CB-CG 3.91Å; F195-M533 HydrophobicContact CD2-CG 4.41Å; F195-M533 HydrophobicContact CG-CG 4.18Å; F195-M533 PolarHBondContact N-O 3.38Å; F195-T534 WeakPolarHBondContact CD2-O 3.32Å; F195-D535 WeakPolarHBondContact CD2-OD1 3.07Å; F195-D535 WeakPolarHBondContact CE2-OD1 3.36Å
196	N	94.1	Very high	91.4	Very high	14 Å²	14	24.3 Å²	24.3	8%	0.075	13%	0.129	C	C	.	.			trans	-75.8	63.4	176.4	-174	27.7	0	0	0	111.3	N117 N161 L190 F192 F194	N117-N196 PolarHBondContact ND2-OD1 3.49Å; N161-N196 PolarHBondContact O-ND2 2.87Å; L190-N196 HydrophobicContact CD1-CB 3.69Å; F192-N196 HydrophobicContact CE2-CB 4.36Å; F192-N196 HydrophobicContact CZ-CB 4.36Å; F194-N196 PolarHBondContact O-N 3.43Å
197	Y	97	Very high	92.4	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.123	C	C	.	.			trans	-57.1	139.7	172	-79.4	-63.9	0	0	0	110.5	S73 N75 D76 N117 F195 H201 R348 M533 R551	S73-Y197 VanDerWaalsContact CB-CD1 3.48Å; S73-Y197 WeakPolarHBondContact OG-CB 3.33Å; N75-Y197 HydrophobicContact CB-CD1 3.84Å; N75-Y197 HydrophobicContact CB-CE1 4.03Å; D76-Y197 HydrophobicContact CB-CE1 4.42Å; D76-Y197 VanDerWaalsContact OD2-CE1 3.29Å; D76-Y197 WeakPolarHBondContact OD2-CE1 3.48Å; D76-Y197 VanDerWaalsContact OD2-CZ 3.32Å; D76-Y197 PolarHBondContact OD2-OH 2.99Å; N117-Y197 PolarHBondContact ND2-O 3.33Å; F195-Y197 HydrophobicContact CB-CD2 4.04Å; F195-Y197 HydrophobicContact CB-CE2 3.86Å; F195-Y197 AromaticContact CD1-CD1 3.52Å; F195-Y197 HydrophobicContact CD1-CD1 3.52Å; F195-Y197 AromaticContact CD1-CD2 3.77Å; F195-Y197 HydrophobicContact CD1-CD2 3.77Å; F195-Y197 AromaticContact CD1-CE1 3.58Å; F195-Y197 HydrophobicContact CD1-CE1 3.58Å; F195-Y197 AromaticContact CD1-CE2 3.84Å; F195-Y197 HydrophobicContact CD1-CE2 3.84Å; F195-Y197 AromaticContact CD1-CG 3.62Å; F195-Y197 HydrophobicContact CD1-CG 3.62Å; F195-Y197 AromaticContact CD1-CZ 3.73Å; F195-Y197 AromaticContact CE1-CD1 3.85Å; F195-Y197 HydrophobicContact CE1-CD1 3.85Å; F195-Y197 AromaticContact CE1-CE1 3.92Å; F195-Y197 HydrophobicContact CE1-CE1 3.92Å; F195-Y197 HydrophobicContact CE1-CG 4.32Å; F195-Y197 HydrophobicContact CG-CD2 4.38Å; F195-Y197 HydrophobicContact CG-CE2 4.23Å; F195-Y197 PolarHBondContact O-N 2.88Å; Y197-H201 PolarHBondContact O-CE1 2.98Å; Y197-R348 HydrophobicContact CD2-CG 3.88Å; Y197-R348 HydrophobicContact CG-CG 4.16Å; Y197-M533 HydrophobicContact CE2-CB 3.94Å; Y197-M533 WeakPolarHBondContact OH-CB 3.42Å; Y197-M533 WeakPolarHBondContact OH-CG 3.1Å; Y197-R551 PolarHBondContact OH-NH2 3.28Å
198	A	97.4	Very high	93.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.			trans	-134.2	166.9	-178.9	0	0	0	0	0	112.1	S73 Y74 N75 N161 H201	S73-A198 VanDerWaalsContact CA-O 3.26Å; S73-A198 WeakPolarHBondContact CA-O 3.39Å; Y74-A198 VanDerWaalsContact CD1-C 3.5Å; Y74-A198 HydrophobicContact CD1-CB 4.29Å; Y74-A198 WeakPolarHBondContact CD1-O 3.24Å; Y74-A198 VanDerWaalsContact CE1-C 3.48Å; Y74-A198 HydrophobicContact CE1-CB 3.38Å; Y74-A198 PolarHBondContact N-O 3.14Å; N75-A198 PolarHBondContact OD1-N 3.35Å; N75-A198 PolarHBondContact OD1-O 2.96Å; N161-A198 HydrophobicContact CB-CB 3.39Å; A198-H201 PolarHBondContact O-NE2 3.31Å
199	G	98.2	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.1	-160.7	-176.5	0	0	0	0	0	113	Y92 V116 N117 H201	Y92-G199 WeakPolarHBondContact OH-CA 3.37Å; V116-G199 WeakPolarHBondContact CA-O 3.47Å; N117-G199 PolarHBondContact N-O 2.7Å; N117-G199 PolarHBondContact O-N 3.22Å; G199-H201 PolarHBondContact O-N 2.84Å
200	I	98.7	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	92.1	179.6	-54	174.3	0	0	0	107.6	W36 V70 P71 G72 Y92 F113 V116 V157 V204	W36-I200 HydrophobicContact CZ3-CD1 4.42Å; V70-I200 HydrophobicContact CG1-CB 3.81Å; V70-I200 HydrophobicContact CG1-CD1 4.39Å; V70-I200 HydrophobicContact CG1-CG2 3.49Å; V70-I200 VanDerWaalsContact CG1-CG2 3.49Å; V70-I200 HydrophobicContact CG2-CB 4.24Å; V70-I200 HydrophobicContact CG2-CD1 4.17Å; P71-I200 CarbonylContact C-O 3.6Å; P71-I200 WeakPolarHBondContact CA-O 3.31Å; G72-I200 PolarHBondContact N-O 3.45Å; Y92-I200 HydrophobicContact CD1-CD1 4.15Å; Y92-I200 HydrophobicContact CD2-CD1 4.05Å; Y92-I200 HydrophobicContact CD2-CG1 4.28Å; Y92-I200 HydrophobicContact CE2-CD1 4.5Å; Y92-I200 HydrophobicContact CE2-CG1 4.27Å; Y92-I200 HydrophobicContact CG-CD1 3.85Å; Y92-I200 HydrophobicContact CG-CG1 4.48Å; F113-I200 HydrophobicContact CD1-CG2 4.23Å; F113-I200 HydrophobicContact CE1-CD1 4.31Å; V116-I200 HydrophobicContact CG2-CG1 4.17Å; V116-I200 HydrophobicContact CG2-CG2 4.24Å; V157-I200 HydrophobicContact CG1-CD1 4.49Å; I200-V204 HydrophobicContact CG2-CG2 3.58Å
201	H	98.4	Very high	95.2	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-22.3	-170.3	-66.2	158.5	0	0	0	114.4	P71 S73 S115 N117 Y197 A198 G199 G349 Y350	P71-H201 VanDerWaalsContact CB-O 3.29Å; P71-H201 WeakPolarHBondContact CB-O 3.32Å; S73-H201 PolarHBondContact OG-CD2 3.15Å; S73-H201 PolarHBondContact OG-NE2 3.1Å; S115-H201 PolarHBondContact O-N 2.74Å; N117-H201 VanDerWaalsContact CB-CE1 3.48Å; N117-H201 WeakPolarHBondContact CB-CE1 3.27Å; Y197-H201 PolarHBondContact O-CE1 2.98Å; A198-H201 PolarHBondContact O-NE2 3.31Å; G199-H201 PolarHBondContact O-N 2.84Å; H201-G349 CarbonylContact O-C 3.57Å; H201-G349 WeakPolarHBondContact O-CA 3.27Å; H201-Y350 PolarHBondContact O-N 3.31Å
202	R	98.1	Very high	95.6	Very high	6 Å²	6	12.3 Å²	12.3	2%	0.023	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	163.2	179.8	-61.1	-179.6	-170.9	148.6	9.4	111	S115 H136 E341 P376 Y377 S378	S115-R202 PolarHBondContact O-N 2.75Å; H136-R202 PolarHBondContact O-NH1 2.72Å; R202-E341 IonicContact CZ-OE2 3.74Å; R202-E341 IonicContact NE-OE1 3.85Å; R202-E341 IonicContact NE-OE2 3.04Å; R202-E341 IonicContact NH2-OE1 2.68Å; R202-E341 IonicContact NH2-OE2 3.25Å; R202-E341 PolarHBondContact NH2-OE2 3.08Å; R202-P376 PolarHBondContact NH2-O 3.14Å; R202-Y377 PolarHBondContact NH1-O 2.76Å; R202-Y377 PolarHBondContact NH2-O 3.24Å; R202-S378 VanDerWaalsContact CZ-N 3.3Å
203	S	98	Very high	95.8	Very high	23 Å²	23	12.8 Å²	12.8	16%	0.161	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	144.2	-169.8	-67.9	0	0	0	0	114	D33 G114	D33-S203 WeakPolarHBondContact OD1-CA 3.4Å; D33-S203 WeakPolarHBondContact OD1-CB 3.4Å; D33-S203 VanDerWaalsContact OD2-CB 3.22Å; D33-S203 WeakPolarHBondContact OD2-CB 3.26Å; D33-S203 PolarHBondContact OD2-OG 2.84Å; G114-S203 PolarHBondContact N-O 3.39Å
204	V	98.6	Very high	96	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.8	172	-172	0	0	0	0	107.4	L32 D33 W36 V70 L111 R112 F113 L155 I200	L32-V204 WeakPolarHBondContact CA-O 3.37Å; L32-V204 HydrophobicContact CB-CB 4.16Å; L32-V204 HydrophobicContact CB-CG1 4.14Å; L32-V204 WeakPolarHBondContact CB-O 3.48Å; L32-V204 HydrophobicContact CD1-CG1 4.17Å; L32-V204 PolarHBondContact N-O 2.67Å; D33-V204 PolarHBondContact OD1-N 2.86Å; W36-V204 HydrophobicContact CH2-CG1 4.32Å; W36-V204 HydrophobicContact CH2-CG2 4.45Å; W36-V204 HydrophobicContact CZ2-CB 4.2Å; W36-V204 HydrophobicContact CZ2-CG1 4.26Å; W36-V204 HydrophobicContact CZ2-CG2 4.11Å; V70-V204 HydrophobicContact CG1-CG2 3.96Å; L111-V204 HydrophobicContact CD1-CG1 4.02Å; R112-V204 WeakPolarHBondContact O-CA 3.47Å; F113-V204 HydrophobicContact CD1-CB 4.37Å; F113-V204 HydrophobicContact CD1-CG1 4Å; F113-V204 HydrophobicContact CD1-CG2 3.54Å; F113-V204 HydrophobicContact CE1-CB 4.34Å; F113-V204 HydrophobicContact CE1-CG1 3.7Å; F113-V204 HydrophobicContact CE1-CG2 3.62Å; F113-V204 HydrophobicContact CE2-CG1 4.28Å; F113-V204 HydrophobicContact CG-CG1 4.4Å; F113-V204 HydrophobicContact CG-CG2 4.44Å; F113-V204 HydrophobicContact CZ-CG1 3.85Å; L155-V204 HydrophobicContact CD2-CG1 4.28Å; I200-V204 HydrophobicContact CG2-CG2 3.58Å
205	V	98.1	Very high	95.9	Very high	11 Å²	11	13.1 Å²	13.1	7%	0.067	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.1	-176.4	-55.8	0	0	0	0	111.2	P21 M29 K30 R112 Y207	P21-V205 HydrophobicContact CG-CG2 4.16Å; M29-V205 HydrophobicContact CG-CB 4.06Å; M29-V205 HydrophobicContact CG-CG1 4.31Å; M29-V205 HydrophobicContact SD-CB 4.19Å; M29-V205 HydrophobicContact SD-CG1 3.82Å; K30-V205 WeakPolarHBondContact O-CA 3.29Å; R112-V205 HydrophobicContact CB-CG2 3.84Å; R112-V205 HydrophobicContact CG-CG2 4.27Å; R112-V205 PolarHBondContact N-O 3.13Å; R112-V205 PolarHBondContact O-N 3.36Å; V205-Y207 HydrophobicContact CG2-CD1 4.3Å
206	L	97.9	Very high	95.9	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.7	158.2	-85	165.9	0	0	0	107.8	K30 L32 F96 W102 V109 L110 L111 A143 L147	K30-L206 PolarHBondContact N-O 2.84Å; K30-L206 PolarHBondContact O-N 2.8Å; L32-L206 HydrophobicContact CD1-CD1 3.91Å; L32-L206 HydrophobicContact CD1-CG 3.95Å; L32-L206 HydrophobicContact CD2-CD1 4.3Å; L32-L206 HydrophobicContact CG-CD1 4.47Å; F96-L206 HydrophobicContact CD2-CD1 3.91Å; F96-L206 HydrophobicContact CE2-CD1 3.19Å; F96-L206 HydrophobicContact CZ-CD1 3.65Å; W102-L206 HydrophobicContact CZ3-CB 4.28Å; V109-L206 HydrophobicContact CG1-CD2 3.89Å; L110-L206 WeakPolarHBondContact O-CA 3.37Å; L111-L206 HydrophobicContact CB-CD2 3.93Å; L111-L206 HydrophobicContact CD1-CD2 4.21Å; L111-L206 HydrophobicContact CD1-CG 4.18Å; A143-L206 HydrophobicContact CB-CD2 3.89Å; L147-L206 HydrophobicContact CD1-CD2 4.45Å; L147-L206 HydrophobicContact CD2-CD1 4.39Å
207	Y	97.2	Very high	95.9	Very high	13 Å²	13	14.8 Å²	14.8	5%	0.051	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.4	175.2	70.2	-79.1	0	0	0	111.1	P21 E28 L110 R112 Q140 V205 V209	P21-Y207 HydrophobicContact CB-CD1 3.93Å; P21-Y207 HydrophobicContact CB-CD2 3.78Å; P21-Y207 HydrophobicContact CB-CE1 4.1Å; P21-Y207 HydrophobicContact CB-CE2 3.96Å; P21-Y207 HydrophobicContact CB-CG 3.75Å; E28-Y207 CarbonylContact O-C 3.59Å; E28-Y207 VanDerWaalsContact O-CA 3.23Å; E28-Y207 WeakPolarHBondContact O-CA 3.37Å; E28-Y207 WeakPolarHBondContact O-CB 2.84Å; L110-Y207 HydrophobicContact CB-CD1 3.95Å; L110-Y207 HydrophobicContact CB-CE1 3.46Å; L110-Y207 VanDerWaalsContact CB-CE1 3.46Å; L110-Y207 HydrophobicContact CB-CE2 4.11Å; L110-Y207 HydrophobicContact CB-CG 4.48Å; L110-Y207 HydrophobicContact CD1-CE1 4.31Å; L110-Y207 HydrophobicContact CD1-CE2 3.64Å; L110-Y207 VanDerWaalsContact CD1-CZ 3.5Å; L110-Y207 VanDerWaalsContact CD1-OH 3.28Å; L110-Y207 WeakPolarHBondContact CD1-OH 3.23Å; L110-Y207 HydrophobicContact CG-CE2 4.46Å; L110-Y207 PolarHBondContact N-O 3.21Å; L110-Y207 WeakPolarHBondContact O-CD1 3.41Å; L110-Y207 PolarHBondContact O-N 2.7Å; R112-Y207 HydrophobicContact CB-CD1 4.37Å; R112-Y207 HydrophobicContact CB-CE1 3.92Å; Q140-Y207 PolarHBondContact NE2-OH 2.76Å; Q140-Y207 PolarHBondContact OE1-OH 3.15Å; V205-Y207 HydrophobicContact CG2-CD1 4.3Å; Y207-V209 HydrophobicContact CD2-CG1 3.61Å; Y207-V209 HydrophobicContact CE2-CG1 3.52Å
208	S	96.1	Very high	95.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.6	176	72.6	0	0	0	0	109.9	R27 E28 E108	R27-S208 WeakPolarHBondContact CA-O 3.23Å; E28-S208 PolarHBondContact N-O 3.4Å; E28-S208 PolarHBondContact O-N 2.82Å; E108-S208 WeakPolarHBondContact O-CA 3.49Å
209	V	95.4	Very high	95.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.2	175	-66.9	0	0	0	0	108.9	R27 K107 E108 L110 Y207 R213	R27-V209 HydrophobicContact CG-CG1 4.22Å; K107-V209 CarbonylContact C-O 3.57Å; K107-V209 WeakPolarHBondContact CA-O 3.36Å; E108-V209 HydrophobicContact CB-CG2 3.97Å; E108-V209 PolarHBondContact N-O 2.97Å; E108-V209 PolarHBondContact O-N 3.2Å; L110-V209 HydrophobicContact CD1-CG2 3.71Å; L110-V209 HydrophobicContact CG-CG2 4.45Å; Y207-V209 HydrophobicContact CD2-CG1 3.61Å; Y207-V209 HydrophobicContact CE2-CG1 3.52Å; V209-R213 VanDerWaalsContact CG2-CD 3.42Å
210	P	94.4	Very high	95.7	Very high	16 Å²	16	22.7 Å²	22.7	10%	0.104	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	152	172.2	-22.2	35.2	0	0	0	111.3	T26 D106 D212 L306 D307	T26-P210 WeakPolarHBondContact O-CD 3.5Å; D106-P210 WeakPolarHBondContact O-CA 3.48Å; P210-D212 WeakPolarHBondContact CB-O 3.36Å; P210-D212 PolarHBondContact O-N 3.49Å; P210-L306 VanDerWaalsContact CB-O 3.27Å; P210-L306 WeakPolarHBondContact CB-O 3.43Å; P210-L306 WeakPolarHBondContact CG-O 3.46Å; P210-D307 HydrophobicContact CB-CB 4.41Å; P210-D307 HydrophobicContact CG-CB 3.97Å
211	I	91.1	Very high	95.7	Very high	48 Å²	48	23.4 Å²	23.4	25%	0.246	12%	0.124	C	C	.	.	S	Bend	trans	-57.9	-37.8	173.2	-72.7	-70.4	0	0	0	110.2	T105 D106 E108 R213 N238	T105-I211 WeakPolarHBondContact O-CG1 3.32Å; D106-I211 WeakPolarHBondContact O-CG1 3.31Å; D106-I211 PolarHBondContact O-N 3.11Å; E108-I211 HydrophobicContact CB-CD1 4.2Å; I211-R213 PolarHBondContact O-NH1 2.69Å; I211-N238 PolarHBondContact O-ND2 3.23Å
212	D	91.3	Very high	95.6	Very high	6 Å²	6	27 Å²	27	3%	0.032	14%	0.141	C	C	.	.	S	Bend	trans	-98.1	111	172	-66.4	-21.8	0	0	0	110.6	P210 R243 Y245 L298 L306 D307	P210-D212 WeakPolarHBondContact CB-O 3.36Å; P210-D212 PolarHBondContact O-N 3.49Å; D212-R243 VanDerWaalsContact CA-NH2 3.31Å; D212-R243 VanDerWaalsContact CB-NH2 3.29Å; D212-R243 VanDerWaalsContact CG-CZ 3.44Å; D212-R243 IonicContact OD1-CZ 2.92Å; D212-R243 IonicContact OD1-NE 3.58Å; D212-R243 PolarHBondContact OD1-NE 3.12Å; D212-R243 IonicContact OD1-NH2 2.77Å; D212-R243 PolarHBondContact OD1-NH2 3.45Å; D212-R243 IonicContact OD2-CZ 2.74Å; D212-R243 IonicContact OD2-NE 2.69Å; D212-R243 PolarHBondContact OD2-NE 3.37Å; D212-R243 IonicContact OD2-NH2 3.18Å; D212-Y245 WeakPolarHBondContact OD2-CE2 3.38Å; D212-Y245 VanDerWaalsContact OD2-CZ 3.23Å; D212-Y245 PolarHBondContact OD2-OH 3.43Å; D212-L298 VanDerWaalsContact C-CD2 3.46Å; D212-L298 HydrophobicContact CB-CD2 3.97Å; D212-L298 WeakPolarHBondContact O-CD2 3.17Å; D212-L306 HydrophobicContact CB-CB 4.43Å; D212-L306 HydrophobicContact CB-CD1 4.1Å; D212-D307 WeakPolarHBondContact O-CB 3.4Å
213	R	93.3	Very high	95.4	Very high	50 Å²	50	26.8 Å²	26.8	19%	0.189	14%	0.141	C	C	.	.			trans	-144.5	159.8	-169.4	63.2	-177.1	178.5	-82.8	-1.4	113.9	V209 I211 E215 T237 N238 D307	V209-R213 VanDerWaalsContact CG2-CD 3.42Å; I211-R213 PolarHBondContact O-NH1 2.69Å; R213-E215 PolarHBondContact O-N 2.78Å; R213-T237 WeakPolarHBondContact O-CA 3.46Å; R213-N238 HydrophobicContact CG-CB 4.22Å; R213-N238 PolarHBondContact N-OD1 2.81Å; R213-N238 VanDerWaalsContact N-OD1 3.14Å; R213-N238 PolarHBondContact NH1-ND2 3.37Å; R213-N238 PolarHBondContact O-N 2.87Å; R213-N238 PolarHBondContact O-OD1 3.35Å; R213-D307 VanDerWaalsContact CA-OD2 3.25Å; R213-D307 WeakPolarHBondContact CA-OD2 3.42Å; R213-D307 WeakPolarHBondContact CB-OD2 3.46Å
214	V	94.2	Very high	95.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	119.3	161.2	-177.8	0	0	0	0	108.2	L19 R27 V235 I296 D307	L19-V214 HydrophobicContact CD1-CG1 3.97Å; R27-V214 PolarHBondContact NH2-O 3.2Å; V214-V235 HydrophobicContact CG1-CG1 3.97Å; V214-V235 HydrophobicContact CG2-CG1 4.38Å; V214-I296 HydrophobicContact CG1-CD1 4.27Å; V214-I296 HydrophobicContact CG2-CB 4.24Å; V214-I296 HydrophobicContact CG2-CG2 3.57Å; V214-D307 PolarHBondContact N-OD2 3.31Å
215	E	92.3	Very high	94.7	Very high	68 Å²	68	35.5 Å²	35.5	32%	0.318	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-42.3	-179.3	-176.4	172.9	-159.8	0	0	111.2	R213 L236 N238	R213-E215 PolarHBondContact O-N 2.78Å; E215-L236 HydrophobicContact CB-CD2 4.49Å; E215-L236 HydrophobicContact CB-CG 4.35Å; E215-L236 HydrophobicContact CG-CD2 4.4Å; E215-L236 PolarHBondContact N-O 2.75Å; E215-N238 HydrophobicContact CB-CB 4.32Å; E215-N238 WeakPolarHBondContact OE2-CA 3.48Å
216	D	94.2	Very high	94.3	Very high	46 Å²	46	42.7 Å²	42.7	25%	0.246	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.3	-179.9	-170.5	21.7	0	0	0	110.6	L236	D216-L236 HydrophobicContact CB-CB 3.97Å; D216-L236 HydrophobicContact CB-CD2 4.24Å; D216-L236 PolarHBondContact N-O 3.17Å; D216-L236 PolarHBondContact O-N 2.89Å
217	V	94.8	Very high	94.1	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.085	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	129.8	172.9	58.5	0	0	0	0	110.6	L19 V219 S234 V235 F294 I296 Y309 L311	L19-V217 HydrophobicContact CD1-CG1 4.23Å; L19-V217 HydrophobicContact CD2-CG1 3.77Å; V217-V219 HydrophobicContact CG2-CG2 3.69Å; V217-S234 WeakPolarHBondContact CA-O 3.41Å; V217-V235 HydrophobicContact CG2-CG2 4.15Å; V217-F294 HydrophobicContact CG2-CE1 4.07Å; V217-I296 HydrophobicContact CB-CD1 3.8Å; V217-I296 HydrophobicContact CG1-CD1 3.88Å; V217-I296 HydrophobicContact CG2-CD1 3.72Å; V217-Y309 HydrophobicContact CG1-CD1 4.39Å; V217-Y309 HydrophobicContact CG1-CE1 4.24Å; V217-L311 HydrophobicContact CG1-CD2 3.99Å
218	I	95.2	Very high	94	Very high	103 Å²	103	49.4 Å²	49.4	53%	0.528	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127	169.1	-59.7	174.4	0	0	0	107.4	Y233 S234	I218-Y233 CarbonylContact O-C 3.59Å; I218-Y233 VanDerWaalsContact O-CA 3.25Å; I218-Y233 WeakPolarHBondContact O-CA 3.3Å; I218-S234 PolarHBondContact N-O 3.41Å; I218-S234 PolarHBondContact O-N 3.23Å
219	V	96.4	Very high	94.1	Very high	34 Å²	34	49.3 Å²	49.3	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.1	174.4	-171.5	0	0	0	0	109.5	V217 L231 N232 F294 L311 I313	V217-V219 HydrophobicContact CG2-CG2 3.69Å; V219-L231 HydrophobicContact CG1-CD1 3.55Å; V219-N232 WeakPolarHBondContact CA-O 3.32Å; V219-F294 HydrophobicContact CG2-CD1 4.02Å; V219-F294 HydrophobicContact CG2-CE1 3.74Å; V219-F294 HydrophobicContact CG2-CE2 4.41Å; V219-F294 HydrophobicContact CG2-CG 4.47Å; V219-F294 HydrophobicContact CG2-CZ 3.94Å; V219-L311 HydrophobicContact CG2-CD2 3.93Å; V219-I313 HydrophobicContact CB-CG2 4.38Å; V219-I313 HydrophobicContact CG1-CD1 4.09Å; V219-I313 HydrophobicContact CG1-CG2 4.13Å
220	T	96.9	Very high	94.2	Very high	31 Å²	31	52.9 Å²	52.9	19%	0.19	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.4	165.4	69.8	0	0	0	0	108.1	N232 T414	T220-N232 PolarHBondContact N-O 3.33Å; T220-N232 PolarHBondContact O-N 2.98Å; T220-N232 WeakPolarHBondContact OG1-CB 3.49Å; T220-T414 HydrophobicContact CG2-CG2 3.71Å
221	A	97	Very high	94.3	Very high	14 Å²	14	52.1 Å²	52.1	12%	0.116	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	91.8	-176.9	0	0	0	0	0	108.3	F230 L231 I313 F315 R316	A221-F230 WeakPolarHBondContact CA-O 3.46Å; A221-L231 HydrophobicContact CB-CD1 4.15Å; A221-I313 HydrophobicContact CB-CD1 4.28Å; A221-F315 HydrophobicContact CB-CD1 3.81Å; A221-F315 HydrophobicContact CB-CD2 4.36Å; A221-F315 HydrophobicContact CB-CE1 3.95Å; A221-F315 HydrophobicContact CB-CE2 4.48Å; A221-F315 HydrophobicContact CB-CG 4.04Å; A221-F315 HydrophobicContact CB-CZ 4.3Å; A221-F315 CarbonylContact O-C 3.55Å; A221-F315 WeakPolarHBondContact O-CA 3.22Å; A221-R316 PolarHBondContact O-N 3.02Å; A221-R316 VanDerWaalsContact O-O 3.13Å
222	E	96.6	Very high	94.6	Very high	78 Å²	78	53 Å²	53	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	158.5	-179.2	-67.4	-179.8	-163.6	0	0	111.1	G229 F230 F315 R316	E222-G229 CarbonylContact O-C 3.47Å; E222-G229 VanDerWaalsContact O-CA 3.32Å; E222-G229 WeakPolarHBondContact O-CA 3.35Å; E222-F230 HydrophobicContact CB-CB 4.45Å; E222-F230 PolarHBondContact N-O 3.47Å; E222-F230 PolarHBondContact O-N 2.74Å; E222-F315 WeakPolarHBondContact O-CD1 3.47Å; E222-R316 WeakPolarHBondContact CA-O 3.4Å
223	C	95.2	Very high	94.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154	172.5	58.7	0	0	0	0	111.3	K228 V276 I278 F315 S317	C223-K228 WeakPolarHBondContact CA-O 3.35Å; C223-V276 HydrophobicContact CB-CG2 4.02Å; C223-I278 HydrophobicContact CB-CD1 4.41Å; C223-I278 HydrophobicContact CB-CG1 4.24Å; C223-F315 HydrophobicContact CB-CB 4.44Å; C223-S317 PolarHBondContact O-OG 3.44Å
224	D	92.9	Very high	95	Very high	39 Å²	39	51.9 Å²	51.9	21%	0.209	26%	0.256	C	S	.	.			trans	-101.1	-179.8	168.8	68.3	18.7	0	0	0	112.4	E226 E227 K228 F230	D224-E226 PolarHBondContact O-N 3.3Å; D224-E226 WeakPolarHBondContact OD1-CA 3.48Å; D224-E226 PolarHBondContact OD1-N 3.12Å; D224-E227 PolarHBondContact O-N 3.37Å; D224-E227 VanDerWaalsContact O-N 3.14Å; D224-E227 PolarHBondContact OD1-N 3.48Å; D224-K228 PolarHBondContact N-O 2.94Å; D224-K228 VanDerWaalsContact N-O 3.16Å; D224-K228 VanDerWaalsContact OD1-CB 3.23Å; D224-K228 WeakPolarHBondContact OD1-CB 3.31Å; D224-K228 PolarHBondContact OD1-N 3.18Å; D224-K228 WeakPolarHBondContact OD2-CB 3.23Å; D224-F230 HydrophobicContact CB-CE2 4.21Å
225	K	87.7	Confident	95	Very high	166 Å²	166	52 Å²	52	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21	178.6	-59.1	-175.5	176.9	175.7	0	114.1	E227 D329	K225-E227 VanDerWaalsContact C-N 3.27Å; K225-D329 HydrophobicContact CD-CB 4.28Å; K225-D329 VanDerWaalsContact CE-CG 3.5Å; K225-D329 HydrophobicContact CG-CB 4Å; K225-D329 WeakPolarHBondContact CG-OD2 3.26Å
226	E	91	Very high	95.1	Very high	163 Å²	163	52.2 Å²	52.2	76%	0.762	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	13.2	179.2	-61.8	-176	177.5	0	0	112	D224 K228	D224-E226 PolarHBondContact O-N 3.3Å; D224-E226 WeakPolarHBondContact OD1-CA 3.48Å; D224-E226 PolarHBondContact OD1-N 3.12Å; E226-K228 PolarHBondContact O-N 3.48Å
227	E	92.9	Very high	94.9	Very high	67 Å²	67	51.3 Å²	51.3	31%	0.313	26%	0.256	S	S	.	.			trans	57.4	29	-174.1	-56.2	-175.5	154.4	0	0	112.1	D224 K225 K275 V276 I278 K287	D224-E227 PolarHBondContact O-N 3.37Å; D224-E227 VanDerWaalsContact O-N 3.14Å; D224-E227 PolarHBondContact OD1-N 3.48Å; K225-E227 VanDerWaalsContact C-N 3.27Å; E227-K275 CarbonylContact O-C 3.57Å; E227-K275 VanDerWaalsContact O-CA 3.23Å; E227-K275 WeakPolarHBondContact O-CA 3.48Å; E227-K275 PolarHBondContact O-N 3.1Å; E227-V276 WeakPolarHBondContact O-CG2 3.46Å; E227-V276 PolarHBondContact O-N 3.16Å; E227-I278 HydrophobicContact CG-CD1 4Å; E227-K287 IonicContact OE1-NZ 3.61Å; E227-K287 PolarHBondContact OE1-NZ 2.96Å
228	K	96.2	Very high	94.5	Very high	87 Å²	87	52.2 Å²	52.2	38%	0.378	26%	0.26	S	S	.	.			trans	-85.4	114.9	171.8	-168.5	178.8	-178.9	179.7	0	108.4	C223 D224 E226 F230 V272	C223-K228 WeakPolarHBondContact CA-O 3.35Å; D224-K228 PolarHBondContact N-O 2.94Å; D224-K228 VanDerWaalsContact N-O 3.16Å; D224-K228 VanDerWaalsContact OD1-CB 3.23Å; D224-K228 WeakPolarHBondContact OD1-CB 3.31Å; D224-K228 PolarHBondContact OD1-N 3.18Å; D224-K228 WeakPolarHBondContact OD2-CB 3.23Å; E226-K228 PolarHBondContact O-N 3.48Å; K228-F230 HydrophobicContact CD-CZ 4.08Å; K228-F230 HydrophobicContact CG-CZ 4.27Å; K228-F230 WeakPolarHBondContact O-CE2 3.25Å; K228-V272 HydrophobicContact CD-CG1 4.01Å; K228-V272 HydrophobicContact CG-CG1 3.51Å
229	G	97	Very high	93.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.2	-179.8	0	0	0	0	0	111.9	E222 V272 I273	E222-G229 CarbonylContact O-C 3.47Å; E222-G229 VanDerWaalsContact O-CA 3.32Å; E222-G229 WeakPolarHBondContact O-CA 3.35Å; G229-V272 CarbonylContact O-C 3.57Å; G229-V272 VanDerWaalsContact O-CA 3.29Å; G229-V272 WeakPolarHBondContact O-CA 3.46Å; G229-I273 PolarHBondContact N-O 3.11Å; G229-I273 PolarHBondContact O-N 3.46Å
230	F	97	Very high	91.9	Very high	76 Å²	76	49.9 Å²	49.9	33%	0.333	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	106.3	171.9	-57	-88.3	0	0	0	108	A221 E222 D224 K228 V272	A221-F230 WeakPolarHBondContact CA-O 3.46Å; E222-F230 HydrophobicContact CB-CB 4.45Å; E222-F230 PolarHBondContact N-O 3.47Å; E222-F230 PolarHBondContact O-N 2.74Å; D224-F230 HydrophobicContact CB-CE2 4.21Å; K228-F230 HydrophobicContact CD-CZ 4.08Å; K228-F230 HydrophobicContact CG-CZ 4.27Å; K228-F230 WeakPolarHBondContact O-CE2 3.25Å; F230-V272 HydrophobicContact CD1-CG2 4.08Å; F230-V272 HydrophobicContact CE1-CG2 4.15Å
231	L	97.5	Very high	90.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.4	179.4	-179.4	65.7	0	0	0	109.3	V219 A221 L253 F262 T270 T271 I273 F294 I313 F315	V219-L231 HydrophobicContact CG1-CD1 3.55Å; A221-L231 HydrophobicContact CB-CD1 4.15Å; L231-L253 HydrophobicContact CD2-CD2 4.33Å; L231-F262 HydrophobicContact CD2-CD1 4.19Å; L231-F262 HydrophobicContact CD2-CE1 3.44Å; L231-F262 VanDerWaalsContact CD2-CE1 3.44Å; L231-F262 HydrophobicContact CD2-CZ 4Å; L231-T270 WeakPolarHBondContact O-CA 3.19Å; L231-T271 HydrophobicContact CB-CG2 4.06Å; L231-T271 HydrophobicContact CD2-CG2 4.38Å; L231-T271 PolarHBondContact N-O 3.18Å; L231-T271 PolarHBondContact O-N 2.97Å; L231-I273 HydrophobicContact CB-CG1 4.46Å; L231-F294 HydrophobicContact CD1-CE2 4.44Å; L231-F294 HydrophobicContact CD2-CD2 4.48Å; L231-F294 HydrophobicContact CD2-CE2 4.18Å; L231-I313 HydrophobicContact CD1-CD1 3.63Å; L231-F315 HydrophobicContact CB-CE1 4.1Å; L231-F315 HydrophobicContact CB-CZ 4.04Å; L231-F315 HydrophobicContact CD1-CZ 4.28Å
232	N	97.2	Very high	88.6	Confident	65 Å²	65	60.7 Å²	60.7	35%	0.348	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134	171.8	174.4	45.7	0	0	0	109.2	V219 T220 N269 T270	V219-N232 WeakPolarHBondContact CA-O 3.32Å; T220-N232 PolarHBondContact N-O 3.33Å; T220-N232 PolarHBondContact O-N 2.98Å; T220-N232 WeakPolarHBondContact OG1-CB 3.49Å; N232-N269 WeakPolarHBondContact CA-O 3.31Å; N232-N269 PolarHBondContact OD1-O 2.82Å; N232-T270 HydrophobicContact CB-CG2 4.45Å; N232-T270 PolarHBondContact OD1-OG1 3.41Å
233	Y	97	Very high	87.2	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.2	177.6	68.2	-98.5	0	0	0	112.1	I218 V235 V251 F262 Q264 R268 N269 F294	I218-Y233 CarbonylContact O-C 3.59Å; I218-Y233 VanDerWaalsContact O-CA 3.25Å; I218-Y233 WeakPolarHBondContact O-CA 3.3Å; Y233-V235 HydrophobicContact CD2-CG2 4.05Å; Y233-V235 HydrophobicContact CE2-CG2 4.47Å; Y233-V251 HydrophobicContact CD1-CG1 4.36Å; Y233-V251 HydrophobicContact CD2-CG2 4.1Å; Y233-V251 HydrophobicContact CE1-CB 4.25Å; Y233-V251 HydrophobicContact CE1-CG1 4.07Å; Y233-V251 HydrophobicContact CE1-CG2 4.39Å; Y233-V251 HydrophobicContact CE2-CB 4.31Å; Y233-V251 HydrophobicContact CE2-CG2 3.63Å; Y233-F262 AromaticContact CE1-CZ 4Å; Y233-F262 HydrophobicContact CE1-CZ 4Å; Y233-Q264 WeakPolarHBondContact OH-CG 3.48Å; Y233-R268 VanDerWaalsContact O-CA 3.31Å; Y233-R268 WeakPolarHBondContact O-CA 3.41Å; Y233-N269 HydrophobicContact CD1-CB 4.34Å; Y233-N269 HydrophobicContact CE1-CB 3.51Å; Y233-N269 HydrophobicContact CE2-CB 4.29Å; Y233-N269 VanDerWaalsContact CZ-CB 3.47Å; Y233-N269 PolarHBondContact N-O 2.75Å; Y233-N269 VanDerWaalsContact N-O 3.12Å; Y233-N269 PolarHBondContact O-N 3.27Å; Y233-N269 WeakPolarHBondContact OH-CB 3.14Å; Y233-F294 HydrophobicContact CD1-CE2 4.14Å; Y233-F294 HydrophobicContact CD1-CZ 4.04Å; Y233-F294 HydrophobicContact CD2-CZ 4.35Å; Y233-F294 HydrophobicContact CG-CE2 4.31Å; Y233-F294 AromaticContact CG-CZ 3.77Å; Y233-F294 HydrophobicContact CG-CZ 3.77Å
234	S	95.9	Very high	86.2	Confident	32 Å²	32	66.8 Å²	66.8	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117	167.9	177.8	0	0	0	0	109.4	V217 I218 R268	V217-S234 WeakPolarHBondContact CA-O 3.41Å; I218-S234 PolarHBondContact N-O 3.41Å; I218-S234 PolarHBondContact O-N 3.23Å; S234-R268 PolarHBondContact OG-NE 2.88Å; S234-R268 VanDerWaalsContact OG-NE 3.09Å
235	V	95.1	Very high	85.5	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.6	176.5	-179.8	0	0	0	0	108.8	V214 V217 Y233 T237 V249 V251 L267 I296	V214-V235 HydrophobicContact CG1-CG1 3.97Å; V214-V235 HydrophobicContact CG2-CG1 4.38Å; V217-V235 HydrophobicContact CG2-CG2 4.15Å; Y233-V235 HydrophobicContact CD2-CG2 4.05Å; Y233-V235 HydrophobicContact CE2-CG2 4.47Å; V235-T237 HydrophobicContact CG1-CG2 4.46Å; V235-V249 HydrophobicContact CB-CG1 4.39Å; V235-V249 HydrophobicContact CG1-CG1 4.26Å; V235-V249 HydrophobicContact CG2-CG1 4.4Å; V235-V251 HydrophobicContact CG2-CG2 4.27Å; V235-L267 PolarHBondContact N-O 3.27Å; V235-L267 WeakPolarHBondContact O-CD2 3.43Å; V235-I296 HydrophobicContact CG1-CG2 3.92Å; V235-I296 HydrophobicContact CG2-CD1 4.27Å; V235-I296 HydrophobicContact CG2-CG1 4.36Å; V235-I296 HydrophobicContact CG2-CG2 4.08Å
236	L	93.2	Very high	85.3	Confident	73 Å²	73	69.6 Å²	69.6	38%	0.382	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.9	168	-176.1	64.3	0	0	0	109.2	E215 D216	E215-L236 HydrophobicContact CB-CD2 4.49Å; E215-L236 HydrophobicContact CB-CG 4.35Å; E215-L236 HydrophobicContact CG-CD2 4.4Å; E215-L236 PolarHBondContact N-O 2.75Å; D216-L236 HydrophobicContact CB-CB 3.97Å; D216-L236 HydrophobicContact CB-CD2 4.24Å; D216-L236 PolarHBondContact N-O 3.17Å; D216-L236 PolarHBondContact O-N 2.89Å
237	T	91.3	Very high	85.1	Confident	26 Å²	26	63.8 Å²	63.8	16%	0.16	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.1	171	70	0	0	0	0	108.2	R213 V235 G239 V249 L267 L298	R213-T237 WeakPolarHBondContact O-CA 3.46Å; V235-T237 HydrophobicContact CG1-CG2 4.46Å; T237-G239 PolarHBondContact O-N 3.26Å; T237-V249 HydrophobicContact CG2-CG2 3.88Å; T237-L267 HydrophobicContact CG2-CD2 4Å; T237-L298 HydrophobicContact CG2-CD1 3.74Å
238	N	86.2	Confident	85.1	Confident	34 Å²	34	64.7 Å²	64.7	18%	0.182	34%	0.338	C	S	.	.			trans	-66.3	6.1	-174.1	72.8	-42.4	0	0	0	116	I211 R213 E215 N240 R243	I211-N238 PolarHBondContact O-ND2 3.23Å; R213-N238 HydrophobicContact CG-CB 4.22Å; R213-N238 PolarHBondContact N-OD1 2.81Å; R213-N238 VanDerWaalsContact N-OD1 3.14Å; R213-N238 PolarHBondContact NH1-ND2 3.37Å; R213-N238 PolarHBondContact O-N 2.87Å; R213-N238 PolarHBondContact O-OD1 3.35Å; E215-N238 HydrophobicContact CB-CB 4.32Å; E215-N238 WeakPolarHBondContact OE2-CA 3.48Å; N238-N240 PolarHBondContact O-N 3.44Å; N238-R243 PolarHBondContact OD1-NH2 2.71Å
239	G	69.5	Low	85.1	Confident	48 Å²	48	61 Å²	61	50%	0.495	32%	0.323	S	S	.	.			trans	44.4	59.9	169	0	0	0	0	0	114	T237 P241	T237-G239 PolarHBondContact O-N 3.26Å; G239-P241 WeakPolarHBondContact O-CD 3.3Å; G239-P241 VanDerWaalsContact O-N 3.15Å
240	N	67.8	Low	85.1	Confident	40 Å²	40	61 Å²	61	21%	0.214	32%	0.323	C	S	.	.			trans	-65.9	112.1	-178.6	174.2	6.9	0	0	0	110.2	N238 L242 R243	N238-N240 PolarHBondContact O-N 3.44Å; N240-L242 PolarHBondContact O-N 2.96Å; N240-L242 WeakPolarHBondContact OD1-CB 3.36Å; N240-L242 PolarHBondContact OD1-N 2.97Å; N240-R243 HydrophobicContact CB-CG 3.87Å; N240-R243 VanDerWaalsContact O-CB 3.31Å; N240-R243 WeakPolarHBondContact O-CB 3.38Å; N240-R243 VanDerWaalsContact O-CG 3.32Å; N240-R243 WeakPolarHBondContact O-CG 3.46Å; N240-R243 PolarHBondContact O-N 2.8Å; N240-R243 VanDerWaalsContact O-N 3.13Å
241	P	60.3	Low	85.2	Confident	125 Å²	125	57.4 Å²	57.4	81%	0.812	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15	-174.9	29	-33.3	0	0	0	113.1	G239	G239-P241 WeakPolarHBondContact O-CD 3.3Å; G239-P241 VanDerWaalsContact O-N 3.15Å
242	L	63.6	Low	85.2	Confident	147 Å²	147	57.5 Å²	57.5	77%	0.77	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	4.1	174.3	-61.5	173	0	0	0	112.5	N240 N244	N240-L242 PolarHBondContact O-N 2.96Å; N240-L242 WeakPolarHBondContact OD1-CB 3.36Å; N240-L242 PolarHBondContact OD1-N 2.97Å; L242-N244 PolarHBondContact O-N 3.06Å
243	R	68	Low	85.2	Confident	44 Å²	44	54.4 Å²	54.4	17%	0.166	29%	0.291	C	S	.	.			trans	-68	125	175.5	-78.3	176.6	-171.6	156.6	15.3	110.6	D212 N238 N240 Y245	D212-R243 VanDerWaalsContact CA-NH2 3.31Å; D212-R243 VanDerWaalsContact CB-NH2 3.29Å; D212-R243 VanDerWaalsContact CG-CZ 3.44Å; D212-R243 IonicContact OD1-CZ 2.92Å; D212-R243 IonicContact OD1-NE 3.58Å; D212-R243 PolarHBondContact OD1-NE 3.12Å; D212-R243 IonicContact OD1-NH2 2.77Å; D212-R243 PolarHBondContact OD1-NH2 3.45Å; D212-R243 IonicContact OD2-CZ 2.74Å; D212-R243 IonicContact OD2-NE 2.69Å; D212-R243 PolarHBondContact OD2-NE 3.37Å; D212-R243 IonicContact OD2-NH2 3.18Å; N238-R243 PolarHBondContact OD1-NH2 2.71Å; N240-R243 HydrophobicContact CB-CG 3.87Å; N240-R243 VanDerWaalsContact O-CB 3.31Å; N240-R243 WeakPolarHBondContact O-CB 3.38Å; N240-R243 VanDerWaalsContact O-CG 3.32Å; N240-R243 WeakPolarHBondContact O-CG 3.46Å; N240-R243 PolarHBondContact O-N 2.8Å; N240-R243 VanDerWaalsContact O-N 3.13Å; R243-Y245 VanDerWaalsContact C-N 3.31Å
244	N	73.2	Confident	85.3	Confident	163 Å²	163	57.1 Å²	57.1	87%	0.872	30%	0.301	S	S	*	.	S	Bend	trans	-92.1	8	168.8	-63	-10.7	0	0	0	112.6	L242	L242-N244 PolarHBondContact O-N 3.06Å
245	Y	77.7	Confident	85.3	Confident	93 Å²	93	55.9 Å²	55.9	37%	0.365	29%	0.293	S	S	.	.	S	Bend	trans	-138.7	154.9	-177.7	57.6	-93.5	0	0	0	111.8	D212 R243 V247 N300 L306	D212-Y245 WeakPolarHBondContact OD2-CE2 3.38Å; D212-Y245 VanDerWaalsContact OD2-CZ 3.23Å; D212-Y245 PolarHBondContact OD2-OH 3.43Å; R243-Y245 VanDerWaalsContact C-N 3.31Å; Y245-V247 HydrophobicContact CD2-CG2 4.1Å; Y245-V247 HydrophobicContact CE2-CG2 3.9Å; Y245-N300 HydrophobicContact CD2-CB 4.36Å; Y245-N300 HydrophobicContact CE2-CB 4.35Å; Y245-L306 HydrophobicContact CE2-CD1 4.05Å
246	K	83.4	Confident	85.3	Confident	171 Å²	171	59.5 Å²	59.5	74%	0.743	31%	0.311	S	S	*	.			trans	-78.8	146.3	174.1	-67.9	-177.5	-179.8	176.8	0	111	E301	K246-E301 HydrophobicContact CB-CG 4.29Å; K246-E301 PolarHBondContact N-OE1 3.03Å; K246-E301 WeakPolarHBondContact O-CG 3.13Å
247	V	87.1	Confident	85.4	Confident	41 Å²	41	61.2 Å²	61.2	25%	0.248	32%	0.32	C	S	.	.			trans	-112.2	133.6	176.4	177.6	0	0	0	0	109.2	Y245 L298 L299 L306	Y245-V247 HydrophobicContact CD2-CG2 4.1Å; Y245-V247 HydrophobicContact CE2-CG2 3.9Å; V247-L298 HydrophobicContact CG1-CD1 3.15Å; V247-L298 HydrophobicContact CG1-CD2 3.86Å; V247-L298 HydrophobicContact CG1-CG 3.32Å; V247-L299 WeakPolarHBondContact CA-O 3.44Å; V247-L306 HydrophobicContact CG1-CD1 4.35Å; V247-L306 HydrophobicContact CG2-CD1 4.15Å
248	K	93.1	Very high	85.6	Confident	87 Å²	87	64.3 Å²	64.3	38%	0.378	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.7	178.1	178.6	-179.5	177.4	-177.9	0	109	V250 S265 L299	K248-V250 HydrophobicContact CD-CG2 4.4Å; K248-V250 HydrophobicContact CG-CG2 4.27Å; K248-S265 WeakPolarHBondContact CE-OG 3.27Å; K248-L299 HydrophobicContact CB-CB 4.31Å; K248-L299 PolarHBondContact N-O 2.83Å; K248-L299 PolarHBondContact O-N 3.41Å
249	V	95.9	Very high	86.1	Confident	8 Å²	8	66.6 Å²	66.6	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.2	170.1	175.9	0	0	0	0	109.1	V235 T237 V251 S265 G266 L267 I296 L298	V235-V249 HydrophobicContact CB-CG1 4.39Å; V235-V249 HydrophobicContact CG1-CG1 4.26Å; V235-V249 HydrophobicContact CG2-CG1 4.4Å; T237-V249 HydrophobicContact CG2-CG2 3.88Å; V249-V251 HydrophobicContact CG1-CG2 4.25Å; V249-S265 CarbonylContact O-C 3.54Å; V249-S265 VanDerWaalsContact O-CA 3.31Å; V249-S265 WeakPolarHBondContact O-CA 3.23Å; V249-G266 PolarHBondContact O-N 2.84Å; V249-L267 HydrophobicContact CB-CD2 4.28Å; V249-L267 HydrophobicContact CG2-CD2 3.55Å; V249-L267 HydrophobicContact CG2-CG 4.4Å; V249-I296 HydrophobicContact CG1-CG2 4.04Å; V249-L298 HydrophobicContact CG2-CD1 3.53Å
250	V	97.5	Very high	87.5	Confident	1 Å²	1	68 Å²	68	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.3	170.2	177.3	0	0	0	0	108.4	K248 R263 Q264 I297 L299	K248-V250 HydrophobicContact CD-CG2 4.4Å; K248-V250 HydrophobicContact CG-CG2 4.27Å; V250-R263 HydrophobicContact CG1-CG 3.81Å; V250-Q264 CarbonylContact C-O 3.49Å; V250-Q264 WeakPolarHBondContact CA-O 3.45Å; V250-I297 HydrophobicContact CB-CB 4.36Å; V250-I297 PolarHBondContact N-O 3.05Å; V250-I297 PolarHBondContact O-N 3.28Å; V250-L299 HydrophobicContact CB-CD1 4.45Å; V250-L299 HydrophobicContact CG2-CD1 3.62Å; V250-L299 HydrophobicContact CG2-CG 4.45Å
251	V	97.9	Very high	88.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.8	174.2	170.5	0	0	0	0	108.7	Y233 V235 V249 F262 R263 Q264 F294 R295 I296	Y233-V251 HydrophobicContact CD1-CG1 4.36Å; Y233-V251 HydrophobicContact CD2-CG2 4.1Å; Y233-V251 HydrophobicContact CE1-CB 4.25Å; Y233-V251 HydrophobicContact CE1-CG1 4.07Å; Y233-V251 HydrophobicContact CE1-CG2 4.39Å; Y233-V251 HydrophobicContact CE2-CB 4.31Å; Y233-V251 HydrophobicContact CE2-CG2 3.63Å; V235-V251 HydrophobicContact CG2-CG2 4.27Å; V249-V251 HydrophobicContact CG1-CG2 4.25Å; V251-F262 HydrophobicContact CG1-CE1 4.28Å; V251-F262 HydrophobicContact CG1-CZ 4.03Å; V251-R263 CarbonylContact O-C 3.18Å; V251-R263 WeakPolarHBondContact O-CA 3.41Å; V251-Q264 PolarHBondContact N-O 2.59Å; V251-Q264 PolarHBondContact O-N 2.68Å; V251-F294 HydrophobicContact CB-CZ 4.37Å; V251-F294 HydrophobicContact CG1-CD2 4.02Å; V251-F294 HydrophobicContact CG1-CE1 4.07Å; V251-F294 HydrophobicContact CG1-CE2 3.26Å; V251-F294 HydrophobicContact CG1-CZ 3.29Å; V251-F294 HydrophobicContact CG2-CZ 4.14Å; V251-R295 CarbonylContact C-O 3.6Å; V251-R295 WeakPolarHBondContact CA-O 3.18Å; V251-I296 HydrophobicContact CG2-CG1 4.46Å
252	E	98	Very high	90.5	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.6	170.8	-61.1	-172.9	146.9	0	0	109.6	R254 L260 F262 R263 R295 I297	E252-R254 IonicContact OE1-NH2 3.32Å; E252-R254 PolarHBondContact OE1-NH2 2.78Å; E252-R254 IonicContact OE2-CZ 3.2Å; E252-R254 VanDerWaalsContact OE2-CZ 3.31Å; E252-R254 IonicContact OE2-NE 3.48Å; E252-R254 PolarHBondContact OE2-NE 3.04Å; E252-R254 IonicContact OE2-NH2 2.82Å; E252-R254 PolarHBondContact OE2-NH2 2.89Å; E252-L260 HydrophobicContact CB-CD1 3.83Å; E252-L260 HydrophobicContact CG-CD1 4.01Å; E252-F262 WeakPolarHBondContact CA-O 3.18Å; E252-R263 HydrophobicContact CG-CB 4.41Å; E252-R263 HydrophobicContact CG-CG 4.09Å; E252-R263 IonicContact OE1-CZ 2.75Å; E252-R263 IonicContact OE1-NE 3.7Å; E252-R263 IonicContact OE1-NH1 3.73Å; E252-R263 PolarHBondContact OE1-NH1 2.7Å; E252-R295 HydrophobicContact CB-CB 4.32Å; E252-R295 PolarHBondContact N-O 2.88Å; E252-R295 PolarHBondContact O-N 2.77Å; E252-R295 IonicContact OE2-NH1 3.54Å; E252-R295 PolarHBondContact OE2-NH1 2.93Å; E252-I297 HydrophobicContact CG-CD1 4.11Å
253	L	98.1	Very high	92.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126	161.9	-171	70.9	0	0	0	108.4	L231 I261 F262 I273 Y292 F294 I313 F315	L231-L253 HydrophobicContact CD2-CD2 4.33Å; L253-I261 HydrophobicContact CB-CB 4.46Å; L253-I261 HydrophobicContact CD2-CB 4.32Å; L253-I261 HydrophobicContact CD2-CG2 4.16Å; L253-I261 HydrophobicContact CG-CB 4.47Å; L253-I261 WeakPolarHBondContact O-CB 3.24Å; L253-I261 PolarHBondContact O-N 2.95Å; L253-F262 HydrophobicContact CB-CD1 3.36Å; L253-F262 HydrophobicContact CB-CE1 3.67Å; L253-F262 HydrophobicContact CD2-CD1 4.32Å; L253-F262 HydrophobicContact CG-CD1 4.48Å; L253-F262 PolarHBondContact N-O 2.94Å; L253-F262 PolarHBondContact O-N 3.04Å; L253-I273 HydrophobicContact CD2-CD1 4.48Å; L253-I273 HydrophobicContact CD2-CG1 4.2Å; L253-Y292 HydrophobicContact CD1-CD1 4.15Å; L253-Y292 HydrophobicContact CD1-CG 4.03Å; L253-Y292 HydrophobicContact CD2-CD1 4.04Å; L253-Y292 HydrophobicContact CD2-CE1 4.39Å; L253-Y292 HydrophobicContact CD2-CG 4.47Å; L253-Y292 HydrophobicContact CG-CD1 3.88Å; L253-Y292 HydrophobicContact CG-CG 4.26Å; L253-F294 HydrophobicContact CD1-CD2 4.29Å; L253-I313 HydrophobicContact CD1-CD1 3.53Å; L253-I313 HydrophobicContact CD1-CG1 3.99Å; L253-F315 HydrophobicContact CD2-CE2 3.97Å; L253-F315 HydrophobicContact CD2-CZ 4.12Å
254	R	98.1	Very high	93.5	Very high	60 Å²	60	65.8 Å²	65.8	23%	0.226	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.3	175.9	-65.4	175.1	176.4	-88.2	-1.5	110.7	E252 N258 V259 L260 Y292 K293	E252-R254 IonicContact OE1-NH2 3.32Å; E252-R254 PolarHBondContact OE1-NH2 2.78Å; E252-R254 IonicContact OE2-CZ 3.2Å; E252-R254 VanDerWaalsContact OE2-CZ 3.31Å; E252-R254 IonicContact OE2-NE 3.48Å; E252-R254 PolarHBondContact OE2-NE 3.04Å; E252-R254 IonicContact OE2-NH2 2.82Å; E252-R254 PolarHBondContact OE2-NH2 2.89Å; R254-N258 PolarHBondContact NH1-O 3.48Å; R254-V259 CarbonylContact C-O 3.54Å; R254-V259 VanDerWaalsContact CA-O 3.23Å; R254-V259 WeakPolarHBondContact CA-O 3.39Å; R254-L260 HydrophobicContact CG-CD1 4.07Å; R254-Y292 WeakPolarHBondContact O-CA 3.24Å; R254-Y292 WeakPolarHBondContact O-CD1 3.34Å; R254-K293 HydrophobicContact CB-CB 4.17Å; R254-K293 PolarHBondContact N-O 3.35Å; R254-K293 PolarHBondContact O-N 3.45Å
255	A	96.9	Very high	94.5	Very high	5 Å²	5	60.7 Å²	60.7	4%	0.041	29%	0.294	C	S	.	.			trans	-64.9	168.1	166.8	0	0	0	0	0	111	D257 N258 V259 I261 Y290	A255-D257 WeakPolarHBondContact CB-OD1 3.32Å; A255-D257 PolarHBondContact O-N 3.3Å; A255-N258 WeakPolarHBondContact O-CA 3.43Å; A255-N258 PolarHBondContact O-N 3.09Å; A255-V259 HydrophobicContact CB-CB 4.27Å; A255-V259 PolarHBondContact N-O 3.05Å; A255-I261 HydrophobicContact CB-CD1 4.26Å; A255-I261 HydrophobicContact CB-CG1 4.35Å; A255-Y290 VanDerWaalsContact CB-OH 3.25Å; A255-Y290 WeakPolarHBondContact CB-OH 3.35Å
256	M	94.6	Very high	95.3	Very high	82 Å²	82	57.6 Å²	57.6	40%	0.404	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.2	-179.2	-77.8	-159.6	-79.6	0	0	112.8	N258 Y290 L291 K293	M256-N258 PolarHBondContact O-N 3.29Å; M256-Y290 HydrophobicContact CE-CD2 3.29Å; M256-Y290 HydrophobicContact CE-CE2 3.43Å; M256-Y290 VanDerWaalsContact CE-CE2 3.43Å; M256-Y290 HydrophobicContact CE-CG 3.93Å; M256-Y290 HydrophobicContact CG-CE1 4.45Å; M256-Y290 HydrophobicContact CG-CE2 4.29Å; M256-Y290 PolarHBondContact N-OH 3.25Å; M256-L291 WeakPolarHBondContact CG-O 3.03Å; M256-K293 PolarHBondContact O-NZ 3.13Å
257	D	95	Very high	95.8	Very high	109 Å²	109	53.6 Å²	53.6	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	10	175.3	61.6	4.4	0	0	0	114	A255 V259	A255-D257 WeakPolarHBondContact CB-OD1 3.32Å; A255-D257 PolarHBondContact O-N 3.3Å; D257-V259 VanDerWaalsContact C-N 3.31Å; D257-V259 PolarHBondContact O-N 3.25Å; D257-V259 WeakPolarHBondContact OD1-CB 3.23Å; D257-V259 WeakPolarHBondContact OD1-CG2 3.05Å; D257-V259 PolarHBondContact OD1-N 3.26Å
258	N	95.9	Very high	96.3	Very high	90 Å²	90	60.7 Å²	60.7	48%	0.481	30%	0.3	S	S	.	.			trans	71.6	6.1	-179	-56.7	-54.8	0	0	0	116.5	R254 A255 M256 L260 K293	R254-N258 PolarHBondContact NH1-O 3.48Å; A255-N258 WeakPolarHBondContact O-CA 3.43Å; A255-N258 PolarHBondContact O-N 3.09Å; M256-N258 PolarHBondContact O-N 3.29Å; N258-L260 PolarHBondContact O-N 2.94Å; N258-K293 WeakPolarHBondContact OD1-CD 3.33Å; N258-K293 PolarHBondContact OD1-NZ 2.88Å
259	V	97.5	Very high	96.5	Very high	82 Å²	82	58.6 Å²	58.6	50%	0.497	29%	0.293	S	S	.	.			trans	-60.9	129.1	172.7	175.5	0	0	0	0	109.9	R254 A255 D257 I261	R254-V259 CarbonylContact C-O 3.54Å; R254-V259 VanDerWaalsContact CA-O 3.23Å; R254-V259 WeakPolarHBondContact CA-O 3.39Å; A255-V259 HydrophobicContact CB-CB 4.27Å; A255-V259 PolarHBondContact N-O 3.05Å; D257-V259 VanDerWaalsContact C-N 3.31Å; D257-V259 PolarHBondContact O-N 3.25Å; D257-V259 WeakPolarHBondContact OD1-CB 3.23Å; D257-V259 WeakPolarHBondContact OD1-CG2 3.05Å; D257-V259 PolarHBondContact OD1-N 3.26Å; V259-I261 PolarHBondContact O-N 3.44Å
260	L	97.9	Very high	96.5	Very high	77 Å²	77	62.9 Å²	62.9	40%	0.403	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.8	179	-177.1	67.1	0	0	0	110.3	E252 R254 N258 F262 R263	E252-L260 HydrophobicContact CB-CD1 3.83Å; E252-L260 HydrophobicContact CG-CD1 4.01Å; R254-L260 HydrophobicContact CG-CD1 4.07Å; N258-L260 PolarHBondContact O-N 2.94Å; L260-F262 WeakPolarHBondContact CD1-O 3.48Å; L260-R263 HydrophobicContact CD1-CB 4.42Å; L260-R263 HydrophobicContact CD2-CB 4.33Å
261	I	96.8	Very high	96.4	Very high	73 Å²	73	64.5 Å²	64.5	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-47.9	-179.1	-58.2	-61.7	0	0	0	110.9	L253 A255 V259 I273 Y292	L253-I261 HydrophobicContact CB-CB 4.46Å; L253-I261 HydrophobicContact CD2-CB 4.32Å; L253-I261 HydrophobicContact CD2-CG2 4.16Å; L253-I261 HydrophobicContact CG-CB 4.47Å; L253-I261 WeakPolarHBondContact O-CB 3.24Å; L253-I261 PolarHBondContact O-N 2.95Å; A255-I261 HydrophobicContact CB-CD1 4.26Å; A255-I261 HydrophobicContact CB-CG1 4.35Å; V259-I261 PolarHBondContact O-N 3.44Å; I261-I273 HydrophobicContact CG2-CG2 3.63Å; I261-Y292 HydrophobicContact CG1-CD1 4.48Å; I261-Y292 HydrophobicContact CG1-CE1 4.16Å
262	F	94.9	Very high	96.4	Very high	26 Å²	26	67.7 Å²	67.7	11%	0.114	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.5	172	107.6	-78.3	0	0	0	110.6	L231 Y233 V251 E252 L253 L260 Q264 T271 I273	L231-F262 HydrophobicContact CD2-CD1 4.19Å; L231-F262 HydrophobicContact CD2-CE1 3.44Å; L231-F262 VanDerWaalsContact CD2-CE1 3.44Å; L231-F262 HydrophobicContact CD2-CZ 4Å; Y233-F262 AromaticContact CE1-CZ 4Å; Y233-F262 HydrophobicContact CE1-CZ 4Å; V251-F262 HydrophobicContact CG1-CE1 4.28Å; V251-F262 HydrophobicContact CG1-CZ 4.03Å; E252-F262 WeakPolarHBondContact CA-O 3.18Å; L253-F262 HydrophobicContact CB-CD1 3.36Å; L253-F262 HydrophobicContact CB-CE1 3.67Å; L253-F262 HydrophobicContact CD2-CD1 4.32Å; L253-F262 HydrophobicContact CG-CD1 4.48Å; L253-F262 PolarHBondContact N-O 2.94Å; L253-F262 PolarHBondContact O-N 3.04Å; L260-F262 WeakPolarHBondContact CD1-O 3.48Å; F262-Q264 HydrophobicContact CD2-CB 3.96Å; F262-Q264 HydrophobicContact CE2-CB 3.27Å; F262-Q264 HydrophobicContact CE2-CG 4.29Å; F262-Q264 HydrophobicContact CZ-CB 4.1Å; F262-T271 HydrophobicContact CD2-CG2 4.29Å; F262-T271 HydrophobicContact CE2-CG2 3.96Å; F262-T271 HydrophobicContact CZ-CG2 4.18Å; F262-I273 HydrophobicContact CB-CD1 3.92Å; F262-I273 HydrophobicContact CD1-CD1 3.95Å; F262-I273 HydrophobicContact CG-CD1 3.97Å
263	R	97.4	Very high	96.4	Very high	135 Å²	135	67.9 Å²	67.9	51%	0.509	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.6	174.3	179.4	173.1	179.1	141	-5.5	109.2	V250 V251 E252 L260	V250-R263 HydrophobicContact CG1-CG 3.81Å; V251-R263 CarbonylContact O-C 3.18Å; V251-R263 WeakPolarHBondContact O-CA 3.41Å; E252-R263 HydrophobicContact CG-CB 4.41Å; E252-R263 HydrophobicContact CG-CG 4.09Å; E252-R263 IonicContact OE1-CZ 2.75Å; E252-R263 IonicContact OE1-NE 3.7Å; E252-R263 IonicContact OE1-NH1 3.73Å; E252-R263 PolarHBondContact OE1-NH1 2.7Å; L260-R263 HydrophobicContact CD1-CB 4.42Å; L260-R263 HydrophobicContact CD2-CB 4.33Å
264	Q	96.4	Very high	96.2	Very high	77 Å²	77	72.8 Å²	72.8	36%	0.36	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.4	-179.1	179.3	67.8	25.4	0	0	111.2	Y233 V250 V251 F262 N269	Y233-Q264 WeakPolarHBondContact OH-CG 3.48Å; V250-Q264 CarbonylContact C-O 3.49Å; V250-Q264 WeakPolarHBondContact CA-O 3.45Å; V251-Q264 PolarHBondContact N-O 2.59Å; V251-Q264 PolarHBondContact O-N 2.68Å; F262-Q264 HydrophobicContact CD2-CB 3.96Å; F262-Q264 HydrophobicContact CE2-CB 3.27Å; F262-Q264 HydrophobicContact CE2-CG 4.29Å; F262-Q264 HydrophobicContact CZ-CB 4.1Å; Q264-N269 HydrophobicContact CG-CB 4.28Å
265	S	95.4	Very high	96.1	Very high	55 Å²	55	78.2 Å²	78.2	39%	0.385	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.3	169.2	-57.7	0	0	0	0	110.6	K248 V249	K248-S265 WeakPolarHBondContact CE-OG 3.27Å; V249-S265 CarbonylContact O-C 3.54Å; V249-S265 VanDerWaalsContact O-CA 3.31Å; V249-S265 WeakPolarHBondContact O-CA 3.23Å
266	G	94.5	Very high	96	Very high	29 Å²	29	78 Å²	78	30%	0.299	40%	0.404	S	S	.	.	S	Bend	trans	130	154.6	176.1	0	0	0	0	0	113.2	V249	V249-G266 PolarHBondContact O-N 2.84Å
267	L	93.8	Very high	96.1	Very high	87 Å²	87	79.4 Å²	79.4	46%	0.455	41%	0.408	S	S	.	.	S	Bend	trans	-73.8	-27.8	179.7	-69.8	164.2	0	0	0	112.9	V235 T237 V249	V235-L267 PolarHBondContact N-O 3.27Å; V235-L267 WeakPolarHBondContact O-CD2 3.43Å; T237-L267 HydrophobicContact CG2-CD2 4Å; V249-L267 HydrophobicContact CB-CD2 4.28Å; V249-L267 HydrophobicContact CG2-CD2 3.55Å; V249-L267 HydrophobicContact CG2-CG 4.4Å
268	R	96.6	Very high	96.2	Very high	190 Å²	190	75 Å²	75	72%	0.717	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.9	-179.9	-65.5	-178.9	178.1	168.9	2.6	109.2	Y233 S234	Y233-R268 VanDerWaalsContact O-CA 3.31Å; Y233-R268 WeakPolarHBondContact O-CA 3.41Å; S234-R268 PolarHBondContact OG-NE 2.88Å; S234-R268 VanDerWaalsContact OG-NE 3.09Å
269	N	96.6	Very high	96.3	Very high	43 Å²	43	70.8 Å²	70.8	23%	0.23	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154	169	-166.7	34.3	0	0	0	110.3	N232 Y233 Q264	N232-N269 WeakPolarHBondContact CA-O 3.31Å; N232-N269 PolarHBondContact OD1-O 2.82Å; Y233-N269 HydrophobicContact CD1-CB 4.34Å; Y233-N269 HydrophobicContact CE1-CB 3.51Å; Y233-N269 HydrophobicContact CE2-CB 4.29Å; Y233-N269 VanDerWaalsContact CZ-CB 3.47Å; Y233-N269 PolarHBondContact N-O 2.75Å; Y233-N269 VanDerWaalsContact N-O 3.12Å; Y233-N269 PolarHBondContact O-N 3.27Å; Y233-N269 WeakPolarHBondContact OH-CB 3.14Å; Q264-N269 HydrophobicContact CG-CB 4.28Å
270	T	96.6	Very high	96.2	Very high	98 Å²	98	68.3 Å²	68.3	60%	0.601	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.8	165.3	-53.8	0	0	0	0	107.1	L231 N232	L231-T270 WeakPolarHBondContact O-CA 3.19Å; N232-T270 HydrophobicContact CB-CG2 4.45Å; N232-T270 PolarHBondContact OD1-OG1 3.41Å
271	T	96.6	Very high	96.2	Very high	35 Å²	35	64.8 Å²	64.8	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.7	-178	-163.1	0	0	0	0	111.6	L231 F262 I273	L231-T271 HydrophobicContact CB-CG2 4.06Å; L231-T271 HydrophobicContact CD2-CG2 4.38Å; L231-T271 PolarHBondContact N-O 3.18Å; L231-T271 PolarHBondContact O-N 2.97Å; F262-T271 HydrophobicContact CD2-CG2 4.29Å; F262-T271 HydrophobicContact CE2-CG2 3.96Å; F262-T271 HydrophobicContact CZ-CG2 4.18Å; T271-I273 HydrophobicContact CG2-CD1 3.94Å; T271-I273 HydrophobicContact CG2-CG1 4.48Å
272	V	97.3	Very high	96.1	Very high	67 Å²	67	64.7 Å²	64.7	41%	0.406	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.4	179	175.1	0	0	0	0	108.2	K228 G229 F230	K228-V272 HydrophobicContact CD-CG1 4.01Å; K228-V272 HydrophobicContact CG-CG1 3.51Å; G229-V272 CarbonylContact O-C 3.57Å; G229-V272 VanDerWaalsContact O-CA 3.29Å; G229-V272 WeakPolarHBondContact O-CA 3.46Å; F230-V272 HydrophobicContact CD1-CG2 4.08Å; F230-V272 HydrophobicContact CE1-CG2 4.15Å
273	I	96.7	Very high	95.9	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.9	175.2	-51.6	-58.7	0	0	0	107.8	G229 L231 L253 I261 F262 T271 V276 F315	G229-I273 PolarHBondContact N-O 3.11Å; G229-I273 PolarHBondContact O-N 3.46Å; L231-I273 HydrophobicContact CB-CG1 4.46Å; L253-I273 HydrophobicContact CD2-CD1 4.48Å; L253-I273 HydrophobicContact CD2-CG1 4.2Å; I261-I273 HydrophobicContact CG2-CG2 3.63Å; F262-I273 HydrophobicContact CB-CD1 3.92Å; F262-I273 HydrophobicContact CD1-CD1 3.95Å; F262-I273 HydrophobicContact CG-CD1 3.97Å; T271-I273 HydrophobicContact CG2-CD1 3.94Å; T271-I273 HydrophobicContact CG2-CG1 4.48Å; I273-V276 HydrophobicContact CB-CG1 3.64Å; I273-V276 HydrophobicContact CG2-CG1 3.55Å; I273-F315 HydrophobicContact CG1-CZ 4.2Å
274	P	95.4	Very high	95.8	Very high	102 Å²	102	58.9 Å²	58.9	66%	0.662	31%	0.305	S	S	*	.	S	Bend	trans	-72.5	142.6	178.4	29.7	-33.5	0	0	0	110.8
275	K	94.6	Very high	95.5	Very high	174 Å²	174	56.8 Å²	56.8	76%	0.757	30%	0.299	S	S	*	.	S	Bend	trans	54.8	54.1	171.8	-57.9	-178	177.2	-176.5	0	113.3	E227	E227-K275 CarbonylContact O-C 3.57Å; E227-K275 VanDerWaalsContact O-CA 3.23Å; E227-K275 WeakPolarHBondContact O-CA 3.48Å; E227-K275 PolarHBondContact O-N 3.1Å
276	V	96.5	Very high	95.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.32	C	S	.	.			trans	-70.3	144.7	175.6	-65.6	0	0	0	0	111.4	C223 E227 I273 I278 Y292 F315	C223-V276 HydrophobicContact CB-CG2 4.02Å; E227-V276 WeakPolarHBondContact O-CG2 3.46Å; E227-V276 PolarHBondContact O-N 3.16Å; I273-V276 HydrophobicContact CB-CG1 3.64Å; I273-V276 HydrophobicContact CG2-CG1 3.55Å; V276-I278 HydrophobicContact CG2-CG1 4.36Å; V276-I278 PolarHBondContact O-N 3.43Å; V276-Y292 WeakPolarHBondContact CA-OH 3.37Å; V276-F315 HydrophobicContact CB-CB 4.42Å; V276-F315 HydrophobicContact CB-CD1 4.47Å; V276-F315 HydrophobicContact CB-CD2 4.23Å; V276-F315 HydrophobicContact CB-CG 4.12Å; V276-F315 HydrophobicContact CG1-CD1 4.16Å; V276-F315 HydrophobicContact CG1-CD2 4.15Å; V276-F315 HydrophobicContact CG1-CE1 4.14Å; V276-F315 HydrophobicContact CG1-CE2 4.12Å; V276-F315 HydrophobicContact CG1-CG 4.17Å; V276-F315 HydrophobicContact CG1-CZ 4.1Å; V276-F315 HydrophobicContact CG2-CB 4.05Å; V276-F315 HydrophobicContact CG2-CD1 4.23Å; V276-F315 HydrophobicContact CG2-CG 4.07Å
277	K	96.1	Very high	94.9	Very high	112 Å²	112	66.1 Å²	66.1	49%	0.487	33%	0.332	S	S	.	.			trans	-79.6	112.6	165.5	-67.8	176.5	-179	176.8	0	107.8	Y290 Y292	K277-Y290 HydrophobicContact CB-CD1 3.69Å; K277-Y290 HydrophobicContact CB-CD2 3.82Å; K277-Y290 HydrophobicContact CB-CE1 4Å; K277-Y290 HydrophobicContact CB-CE2 4.16Å; K277-Y290 HydrophobicContact CB-CG 3.6Å; K277-Y290 HydrophobicContact CD-CD1 4.43Å; K277-Y290 HydrophobicContact CD-CD2 3.52Å; K277-Y290 HydrophobicContact CD-CE1 4.12Å; K277-Y290 HydrophobicContact CD-CE2 3.16Å; K277-Y290 HydrophobicContact CD-CG 4.16Å; K277-Y290 VanDerWaalsContact CD-CZ 3.47Å; K277-Y290 HydrophobicContact CG-CD2 4.32Å; K277-Y290 HydrophobicContact CG-CE2 4.3Å; K277-Y292 PolarHBondContact N-OH 3.27Å; K277-Y292 WeakPolarHBondContact O-CE2 3.45Å
278	I	96.4	Very high	94.6	Very high	16 Å²	16	67 Å²	67	8%	0.082	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-73.9	141.1	-174.4	-62.8	175.8	0	0	0	110.5	C223 E227 V276 W280 N328	C223-I278 HydrophobicContact CB-CD1 4.41Å; C223-I278 HydrophobicContact CB-CG1 4.24Å; E227-I278 HydrophobicContact CG-CD1 4Å; V276-I278 HydrophobicContact CG2-CG1 4.36Å; V276-I278 PolarHBondContact O-N 3.43Å; I278-W280 HydrophobicContact CD1-CZ2 4.23Å; I278-W280 HydrophobicContact CG2-CD2 4.17Å; I278-W280 HydrophobicContact CG2-CG 4.33Å; I278-W280 HydrophobicContact CG2-CZ2 4.05Å; I278-N328 HydrophobicContact CG2-CB 4.25Å; I278-N328 VanDerWaalsContact CG2-CG 3.45Å; I278-N328 WeakPolarHBondContact CG2-ND2 3.48Å
279	W	97.7	Very high	94.5	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.011	32%	0.319	C	S	.	.			trans	-75.8	118.7	165.1	-176.6	98	0	0	0	108.4	P281 V289 F315 R316 N328 D386 G389 V391	W279-P281 HydrophobicContact CZ3-CB 4.48Å; W279-P281 HydrophobicContact CZ3-CG 3.87Å; W279-V289 HydrophobicContact CG-CG1 4.49Å; W279-F315 PolarHBondContact N-O 3.24Å; W279-R316 HydrophobicContact CE3-CB 4.36Å; W279-R316 VanDerWaalsContact CE3-CD 3.47Å; W279-R316 HydrophobicContact CE3-CG 4.49Å; W279-N328 PolarHBondContact O-ND2 3.29Å; W279-D386 PolarHBondContact NE1-O 3.43Å; W279-G389 VanDerWaalsContact CZ2-CA 3.4Å; W279-V391 HydrophobicContact CH2-CG2 4.11Å; W279-V391 HydrophobicContact CZ3-CG2 4.39Å
280	W	96.5	Very high	94.5	Very high	30 Å²	30	58.4 Å²	58.4	11%	0.114	31%	0.311	C	S	.	.			trans	-109.4	140	178.5	-74.6	100.1	0	0	0	110.2	I278 M284 S285 N328 K330	I278-W280 HydrophobicContact CD1-CZ2 4.23Å; I278-W280 HydrophobicContact CG2-CD2 4.17Å; I278-W280 HydrophobicContact CG2-CG 4.33Å; I278-W280 HydrophobicContact CG2-CZ2 4.05Å; W280-M284 HydrophobicContact CE3-CB 4.04Å; W280-M284 HydrophobicContact CZ3-CE 4.42Å; W280-S285 VanDerWaalsContact CG-CB 3.45Å; W280-N328 HydrophobicContact CE3-CB 4.23Å; W280-N328 VanDerWaalsContact CE3-ND2 3.34Å; W280-N328 HydrophobicContact CH2-CB 3.29Å; W280-N328 HydrophobicContact CZ2-CB 3.9Å; W280-N328 HydrophobicContact CZ3-CB 3.49Å; W280-N328 VanDerWaalsContact CZ3-CB 3.49Å; W280-N328 WeakPolarHBondContact CZ3-ND2 3.38Å; W280-K330 HydrophobicContact CH2-CD 3.85Å; W280-K330 HydrophobicContact CH2-CG 4.25Å; W280-K330 HydrophobicContact CZ3-CB 4.44Å; W280-K330 HydrophobicContact CZ3-CD 3.87Å; W280-K330 HydrophobicContact CZ3-CG 4.33Å
281	P	96.6	Very high	94.6	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.013	29%	0.288	C	S	.	.			trans	-55	150.9	166.2	-25.6	34.8	0	0	0	112.1	W279 G283 M284 I327 F332 G389 V391	W279-P281 HydrophobicContact CZ3-CB 4.48Å; W279-P281 HydrophobicContact CZ3-CG 3.87Å; P281-G283 PolarHBondContact O-N 2.98Å; P281-M284 HydrophobicContact CB-CG 4.06Å; P281-M284 HydrophobicContact CB-SD 3.83Å; P281-M284 HydrophobicContact CG-CG 4.41Å; P281-M284 HydrophobicContact CG-SD 3.57Å; P281-M284 VanDerWaalsContact CG-SD 3.57Å; P281-M284 PolarHBondContact O-N 2.84Å; P281-I327 HydrophobicContact CG-CB 4.28Å; P281-I327 HydrophobicContact CG-CD1 3.69Å; P281-I327 HydrophobicContact CG-CG2 3.8Å; P281-F332 HydrophobicContact CB-CD2 4.24Å; P281-F332 HydrophobicContact CB-CE2 3.71Å; P281-F332 HydrophobicContact CG-CD2 4.18Å; P281-F332 HydrophobicContact CG-CE2 4.06Å; P281-G389 CarbonylContact C-O 3.54Å; P281-G389 VanDerWaalsContact CA-O 3.22Å; P281-G389 WeakPolarHBondContact CA-O 3.41Å; P281-V391 HydrophobicContact CB-CG2 3.9Å; P281-V391 HydrophobicContact CG-CG2 3.94Å
282	Y	95.5	Very high	94.7	Very high	72 Å²	72	53.6 Å²	53.6	28%	0.282	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	122.1	177.5	178.1	-107	0	0	0	110.5	E363 G389 I390 L570	Y282-E363 HydrophobicContact CE2-CG 4.13Å; Y282-G389 PolarHBondContact N-O 2.73Å; Y282-I390 HydrophobicContact CD1-CD1 4.34Å; Y282-I390 HydrophobicContact CG-CD1 4.11Å; Y282-L570 HydrophobicContact CD1-CD1 4.36Å; Y282-L570 HydrophobicContact CE1-CD1 3.89Å
283	G	91.9	Very high	94.7	Very high	21 Å²	21	54 Å²	54	22%	0.216	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	14.4	179.1	0	0	0	0	0	116.5	P281 N574	P281-G283 PolarHBondContact O-N 2.98Å; G283-N574 PolarHBondContact O-OD1 3.49Å
284	M	93.6	Very high	94.8	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.089	28%	0.275	C	S	.	.	S	Bend	trans	-97.1	-5.2	169.3	-72.6	-167.9	84	0	0	114.4	W280 P281 K330 F332	W280-M284 HydrophobicContact CE3-CB 4.04Å; W280-M284 HydrophobicContact CZ3-CE 4.42Å; P281-M284 HydrophobicContact CB-CG 4.06Å; P281-M284 HydrophobicContact CB-SD 3.83Å; P281-M284 HydrophobicContact CG-CG 4.41Å; P281-M284 HydrophobicContact CG-SD 3.57Å; P281-M284 VanDerWaalsContact CG-SD 3.57Å; P281-M284 PolarHBondContact O-N 2.84Å; M284-K330 HydrophobicContact CE-CB 3.75Å; M284-F332 HydrophobicContact SD-CD2 3.53Å; M284-F332 VanDerWaalsContact SD-CD2 3.53Å; M284-F332 HydrophobicContact SD-CE2 4.21Å; M284-F332 HydrophobicContact SD-CG 4.49Å
285	S	90.9	Very high	94.9	Very high	32 Å²	32	50.8 Å²	50.8	22%	0.224	25%	0.25	C	S	.	.			trans	-151.3	141.9	-177	-173.8	0	0	0	0	110.1	W280 K287	W280-S285 VanDerWaalsContact CG-CB 3.45Å; S285-K287 PolarHBondContact O-N 2.67Å; S285-K287 PolarHBondContact OG-N 2.61Å
286	D	88.4	Confident	95.1	Very high	153 Å²	153	42.5 Å²	42.5	82%	0.818	21%	0.214	S	C	*	.	S	Bend	trans	-73.1	-14.6	171.4	-59.4	-36.8	0	0	0	112.1
287	K	88	Confident	95.1	Very high	128 Å²	128	42.8 Å²	42.8	56%	0.557	22%	0.216	S	C	*	.	S	Bend	trans	-77.5	141	175.2	-62.5	175.6	179.3	170.2	0	109.2	E227 S285	E227-K287 IonicContact OE1-NZ 3.61Å; E227-K287 PolarHBondContact OE1-NZ 2.96Å; S285-K287 PolarHBondContact O-N 2.67Å; S285-K287 PolarHBondContact OG-N 2.61Å
288	P	87.6	Confident	95.1	Very high	105 Å²	105	37.5 Å²	37.5	68%	0.682	19%	0.192	S	C	*	.	P	Polyproline II helix	trans	-61.8	151.9	174.5	27.9	-35.1	0	0	0	110.9	Y290	P288-Y290 PolarHBondContact O-N 2.94Å
289	V	95.5	Very high	95.1	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.218	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-52.7	134	173.1	179.3	0	0	0	0	109.6	W279 D386	W279-V289 HydrophobicContact CG-CG1 4.49Å; V289-D386 WeakPolarHBondContact CG1-O 3.49Å
290	Y	97.1	Very high	94.8	Very high	16 Å²	16	38.6 Å²	38.6	6%	0.063	20%	0.199	C	C	.	.			trans	-121.2	120.8	-171.9	-157.7	-82.1	0	0	0	111.6	A255 M256 K277 P288 Y292	A255-Y290 VanDerWaalsContact CB-OH 3.25Å; A255-Y290 WeakPolarHBondContact CB-OH 3.35Å; M256-Y290 HydrophobicContact CE-CD2 3.29Å; M256-Y290 HydrophobicContact CE-CE2 3.43Å; M256-Y290 VanDerWaalsContact CE-CE2 3.43Å; M256-Y290 HydrophobicContact CE-CG 3.93Å; M256-Y290 HydrophobicContact CG-CE1 4.45Å; M256-Y290 HydrophobicContact CG-CE2 4.29Å; M256-Y290 PolarHBondContact N-OH 3.25Å; K277-Y290 HydrophobicContact CB-CD1 3.69Å; K277-Y290 HydrophobicContact CB-CD2 3.82Å; K277-Y290 HydrophobicContact CB-CE1 4Å; K277-Y290 HydrophobicContact CB-CE2 4.16Å; K277-Y290 HydrophobicContact CB-CG 3.6Å; K277-Y290 HydrophobicContact CD-CD1 4.43Å; K277-Y290 HydrophobicContact CD-CD2 3.52Å; K277-Y290 HydrophobicContact CD-CE1 4.12Å; K277-Y290 HydrophobicContact CD-CE2 3.16Å; K277-Y290 HydrophobicContact CD-CG 4.16Å; K277-Y290 VanDerWaalsContact CD-CZ 3.47Å; K277-Y290 HydrophobicContact CG-CD2 4.32Å; K277-Y290 HydrophobicContact CG-CE2 4.3Å; P288-Y290 PolarHBondContact O-N 2.94Å; Y290-Y292 AromaticContact CD1-CD2 3.7Å; Y290-Y292 HydrophobicContact CD1-CD2 3.7Å; Y290-Y292 AromaticContact CD1-CE2 3.48Å; Y290-Y292 HydrophobicContact CD1-CE2 3.48Å; Y290-Y292 VanDerWaalsContact CD1-CE2 3.48Å; Y290-Y292 HydrophobicContact CD1-CG 4.39Å; Y290-Y292 AromaticContact CE1-CD1 3.99Å; Y290-Y292 HydrophobicContact CE1-CD1 3.99Å; Y290-Y292 AromaticContact CE1-CD2 3.66Å; Y290-Y292 HydrophobicContact CE1-CD2 3.66Å; Y290-Y292 AromaticContact CE1-CE1 3.8Å; Y290-Y292 HydrophobicContact CE1-CE1 3.8Å; Y290-Y292 AromaticContact CE1-CE2 3.44Å; Y290-Y292 HydrophobicContact CE1-CE2 3.44Å; Y290-Y292 VanDerWaalsContact CE1-CE2 3.44Å; Y290-Y292 AromaticContact CE1-CG 3.93Å; Y290-Y292 HydrophobicContact CE1-CG 3.93Å; Y290-Y292 AromaticContact CE1-CZ 3.52Å
291	L	98.2	Very high	94.3	Very high	24 Å²	24	43 Å²	43	13%	0.126	22%	0.221	C	C	.	.			trans	-121.8	121.7	173.8	-65.6	174.2	0	0	0	109.7	M256 P312 I313 D386 R387	M256-L291 WeakPolarHBondContact CG-O 3.03Å; L291-P312 HydrophobicContact CB-CB 4.38Å; L291-P312 HydrophobicContact CD1-CB 4.24Å; L291-I313 CarbonylContact C-O 3.48Å; L291-I313 WeakPolarHBondContact CA-O 3.47Å; L291-D386 HydrophobicContact CD1-CB 4.3Å; L291-D386 HydrophobicContact CD2-CB 4.5Å; L291-R387 HydrophobicContact CD1-CG 4.01Å
292	Y	98.2	Very high	94	Very high	8 Å²	8	48.1 Å²	48.1	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	155.4	169.9	-69.8	-97.9	0	0	0	110.6	L253 R254 I261 V276 K277 Y290 P312 I313 F315	L253-Y292 HydrophobicContact CD1-CD1 4.15Å; L253-Y292 HydrophobicContact CD1-CG 4.03Å; L253-Y292 HydrophobicContact CD2-CD1 4.04Å; L253-Y292 HydrophobicContact CD2-CE1 4.39Å; L253-Y292 HydrophobicContact CD2-CG 4.47Å; L253-Y292 HydrophobicContact CG-CD1 3.88Å; L253-Y292 HydrophobicContact CG-CG 4.26Å; R254-Y292 WeakPolarHBondContact O-CA 3.24Å; R254-Y292 WeakPolarHBondContact O-CD1 3.34Å; I261-Y292 HydrophobicContact CG1-CD1 4.48Å; I261-Y292 HydrophobicContact CG1-CE1 4.16Å; V276-Y292 WeakPolarHBondContact CA-OH 3.37Å; K277-Y292 PolarHBondContact N-OH 3.27Å; K277-Y292 WeakPolarHBondContact O-CE2 3.45Å; Y290-Y292 AromaticContact CD1-CD2 3.7Å; Y290-Y292 HydrophobicContact CD1-CD2 3.7Å; Y290-Y292 AromaticContact CD1-CE2 3.48Å; Y290-Y292 HydrophobicContact CD1-CE2 3.48Å; Y290-Y292 VanDerWaalsContact CD1-CE2 3.48Å; Y290-Y292 HydrophobicContact CD1-CG 4.39Å; Y290-Y292 AromaticContact CE1-CD1 3.99Å; Y290-Y292 HydrophobicContact CE1-CD1 3.99Å; Y290-Y292 AromaticContact CE1-CD2 3.66Å; Y290-Y292 HydrophobicContact CE1-CD2 3.66Å; Y290-Y292 AromaticContact CE1-CE1 3.8Å; Y290-Y292 HydrophobicContact CE1-CE1 3.8Å; Y290-Y292 AromaticContact CE1-CE2 3.44Å; Y290-Y292 HydrophobicContact CE1-CE2 3.44Å; Y290-Y292 VanDerWaalsContact CE1-CE2 3.44Å; Y290-Y292 AromaticContact CE1-CG 3.93Å; Y290-Y292 HydrophobicContact CE1-CG 3.93Å; Y290-Y292 AromaticContact CE1-CZ 3.52Å; Y292-P312 CarbonylContact O-C 3.52Å; Y292-P312 WeakPolarHBondContact O-CA 3.28Å; Y292-I313 PolarHBondContact N-O 3.28Å; Y292-I313 PolarHBondContact O-N 2.8Å; Y292-F315 AromaticContact CD2-CD2 3.65Å; Y292-F315 HydrophobicContact CD2-CD2 3.65Å; Y292-F315 AromaticContact CD2-CE2 3.87Å; Y292-F315 HydrophobicContact CD2-CE2 3.87Å; Y292-F315 AromaticContact CE2-CD2 3.54Å; Y292-F315 HydrophobicContact CE2-CD2 3.54Å; Y292-F315 AromaticContact CE2-CE2 3.91Å; Y292-F315 HydrophobicContact CE2-CE2 3.91Å; Y292-F315 HydrophobicContact CG-CE2 4.35Å
293	K	97.9	Very high	93.8	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.335	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	104	171.1	-67	168.7	174.5	165.8	0	108.3	R254 M256 N258	R254-K293 HydrophobicContact CB-CB 4.17Å; R254-K293 PolarHBondContact N-O 3.35Å; R254-K293 PolarHBondContact O-N 3.45Å; M256-K293 PolarHBondContact O-NZ 3.13Å; N258-K293 WeakPolarHBondContact OD1-CD 3.33Å; N258-K293 PolarHBondContact OD1-NZ 2.88Å
294	F	98.1	Very high	93.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.2	172.8	-172.7	-94.5	0	0	0	108.9	V217 V219 L231 Y233 V251 L253 I296 L311 I313	V217-F294 HydrophobicContact CG2-CE1 4.07Å; V219-F294 HydrophobicContact CG2-CD1 4.02Å; V219-F294 HydrophobicContact CG2-CE1 3.74Å; V219-F294 HydrophobicContact CG2-CE2 4.41Å; V219-F294 HydrophobicContact CG2-CG 4.47Å; V219-F294 HydrophobicContact CG2-CZ 3.94Å; L231-F294 HydrophobicContact CD1-CE2 4.44Å; L231-F294 HydrophobicContact CD2-CD2 4.48Å; L231-F294 HydrophobicContact CD2-CE2 4.18Å; Y233-F294 HydrophobicContact CD1-CE2 4.14Å; Y233-F294 HydrophobicContact CD1-CZ 4.04Å; Y233-F294 HydrophobicContact CD2-CZ 4.35Å; Y233-F294 HydrophobicContact CG-CE2 4.31Å; Y233-F294 AromaticContact CG-CZ 3.77Å; Y233-F294 HydrophobicContact CG-CZ 3.77Å; V251-F294 HydrophobicContact CB-CZ 4.37Å; V251-F294 HydrophobicContact CG1-CD2 4.02Å; V251-F294 HydrophobicContact CG1-CE1 4.07Å; V251-F294 HydrophobicContact CG1-CE2 3.26Å; V251-F294 HydrophobicContact CG1-CZ 3.29Å; V251-F294 HydrophobicContact CG2-CZ 4.14Å; L253-F294 HydrophobicContact CD1-CD2 4.29Å; F294-I296 HydrophobicContact CD1-CD1 4.13Å; F294-I296 HydrophobicContact CD1-CG1 3.85Å; F294-I296 HydrophobicContact CE1-CD1 3.8Å; F294-I296 HydrophobicContact CE1-CG1 3.51Å; F294-L311 WeakPolarHBondContact CA-O 3.21Å; F294-L311 HydrophobicContact CB-CB 4.42Å; F294-L311 WeakPolarHBondContact CB-O 3.22Å; F294-L311 HydrophobicContact CD1-CB 4.44Å; F294-L311 PolarHBondContact N-O 3.08Å; F294-L311 PolarHBondContact O-N 2.9Å; F294-I313 HydrophobicContact CB-CD1 4.09Å; F294-I313 HydrophobicContact CB-CG1 4.16Å; F294-I313 HydrophobicContact CB-CG2 3.79Å; F294-I313 HydrophobicContact CD2-CD1 3.92Å; F294-I313 HydrophobicContact CG-CD1 4.35Å; F294-I313 HydrophobicContact CG-CG2 4.36Å
295	R	98	Very high	94	Very high	40 Å²	40	54 Å²	54	15%	0.151	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126	-175.2	-176.2	-176.9	-176.4	-139.4	6.7	109.8	E25 V251 E252 I297 V308 Y309	E25-R295 IonicContact OE1-CZ 2.93Å; E25-R295 IonicContact OE1-NE 2.78Å; E25-R295 IonicContact OE1-NH2 3.78Å; E25-R295 PolarHBondContact OE1-NH2 3.42Å; V251-R295 CarbonylContact C-O 3.6Å; V251-R295 WeakPolarHBondContact CA-O 3.18Å; E252-R295 HydrophobicContact CB-CB 4.32Å; E252-R295 PolarHBondContact N-O 2.88Å; E252-R295 PolarHBondContact O-N 2.77Å; E252-R295 IonicContact OE2-NH1 3.54Å; E252-R295 PolarHBondContact OE2-NH1 2.93Å; R295-I297 HydrophobicContact CG-CD1 4.48Å; R295-I297 HydrophobicContact CG-CG1 4.01Å; R295-I297 VanDerWaalsContact NH1-CD1 3.32Å; R295-V308 HydrophobicContact CG-CG1 3.86Å; R295-Y309 WeakPolarHBondContact CA-O 3.46Å
296	I	98.1	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.8	178.2	-52.1	156.5	0	0	0	107	V214 V217 V235 V249 V251 F294 V308 Y309	V214-I296 HydrophobicContact CG1-CD1 4.27Å; V214-I296 HydrophobicContact CG2-CB 4.24Å; V214-I296 HydrophobicContact CG2-CG2 3.57Å; V217-I296 HydrophobicContact CB-CD1 3.8Å; V217-I296 HydrophobicContact CG1-CD1 3.88Å; V217-I296 HydrophobicContact CG2-CD1 3.72Å; V235-I296 HydrophobicContact CG1-CG2 3.92Å; V235-I296 HydrophobicContact CG2-CD1 4.27Å; V235-I296 HydrophobicContact CG2-CG1 4.36Å; V235-I296 HydrophobicContact CG2-CG2 4.08Å; V249-I296 HydrophobicContact CG1-CG2 4.04Å; V251-I296 HydrophobicContact CG2-CG1 4.46Å; F294-I296 HydrophobicContact CD1-CD1 4.13Å; F294-I296 HydrophobicContact CD1-CG1 3.85Å; F294-I296 HydrophobicContact CE1-CD1 3.8Å; F294-I296 HydrophobicContact CE1-CG1 3.51Å; I296-V308 WeakPolarHBondContact O-CA 3.28Å; I296-Y309 HydrophobicContact CD1-CD1 4.14Å; I296-Y309 PolarHBondContact N-O 2.86Å; I296-Y309 PolarHBondContact O-N 2.89Å
297	I	97.8	Very high	94.6	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.3	-176.2	-49	168.3	0	0	0	107.6	V250 E252 R295 L299 I305 V308	V250-I297 HydrophobicContact CB-CB 4.36Å; V250-I297 PolarHBondContact N-O 3.05Å; V250-I297 PolarHBondContact O-N 3.28Å; E252-I297 HydrophobicContact CG-CD1 4.11Å; R295-I297 HydrophobicContact CG-CD1 4.48Å; R295-I297 HydrophobicContact CG-CG1 4.01Å; R295-I297 VanDerWaalsContact NH1-CD1 3.32Å; I297-L299 HydrophobicContact CG2-CD2 3.61Å; I297-L299 HydrophobicContact CG2-CG 4.08Å; I297-I305 HydrophobicContact CG2-CG1 4.17Å; I297-I305 HydrophobicContact CG2-CG2 4.37Å; I297-V308 HydrophobicContact CG2-CG2 4.48Å
298	L	96.1	Very high	95.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.6	172.3	-157.4	67.9	0	0	0	108.9	D212 T237 V247 V249 L306 D307	D212-L298 VanDerWaalsContact C-CD2 3.46Å; D212-L298 HydrophobicContact CB-CD2 3.97Å; D212-L298 WeakPolarHBondContact O-CD2 3.17Å; T237-L298 HydrophobicContact CG2-CD1 3.74Å; V247-L298 HydrophobicContact CG1-CD1 3.15Å; V247-L298 HydrophobicContact CG1-CD2 3.86Å; V247-L298 HydrophobicContact CG1-CG 3.32Å; V249-L298 HydrophobicContact CG2-CD1 3.53Å; L298-L306 HydrophobicContact CB-CB 4.24Å; L298-L306 HydrophobicContact CD2-CB 4.31Å; L298-L306 HydrophobicContact CG-CB 4.35Å; L298-L306 HydrophobicContact CG-CD1 4.44Å; L298-L306 PolarHBondContact O-N 3.28Å; L298-D307 HydrophobicContact CB-CB 3.88Å; L298-D307 HydrophobicContact CD2-CB 4.26Å; L298-D307 PolarHBondContact N-O 3.12Å; L298-D307 PolarHBondContact O-N 3.36Å
299	L	95.3	Very high	95.6	Very high	8 Å²	8	36 Å²	36	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.2	-177.6	-58	176.3	0	0	0	110.7	V247 K248 V250 I297 A304 I305	V247-L299 WeakPolarHBondContact CA-O 3.44Å; K248-L299 HydrophobicContact CB-CB 4.31Å; K248-L299 PolarHBondContact N-O 2.83Å; K248-L299 PolarHBondContact O-N 3.41Å; V250-L299 HydrophobicContact CB-CD1 4.45Å; V250-L299 HydrophobicContact CG2-CD1 3.62Å; V250-L299 HydrophobicContact CG2-CG 4.45Å; I297-L299 HydrophobicContact CG2-CD2 3.61Å; I297-L299 HydrophobicContact CG2-CG 4.08Å; L299-A304 VanDerWaalsContact CA-O 3.3Å; L299-A304 WeakPolarHBondContact CA-O 3.27Å; L299-I305 HydrophobicContact CD2-CB 4.44Å; L299-I305 HydrophobicContact CD2-CG1 3.83Å
300	N	90.9	Very high	95.6	Very high	34 Å²	34	37.1 Å²	37.1	18%	0.182	19%	0.193	C	C	.	.			trans	-82.8	-173.9	166.8	74.6	-1.5	0	0	0	111.5	Y245 T302 N303 A304 L306	Y245-N300 HydrophobicContact CD2-CB 4.36Å; Y245-N300 HydrophobicContact CE2-CB 4.35Å; N300-T302 VanDerWaalsContact C-N 3.27Å; N300-T302 PolarHBondContact ND2-OG1 2.83Å; N300-T302 PolarHBondContact O-N 2.81Å; N300-T302 WeakPolarHBondContact OD1-CA 3.46Å; N300-T302 PolarHBondContact OD1-N 3.06Å; N300-T302 PolarHBondContact OD1-OG1 3.29Å; N300-N303 PolarHBondContact O-N 2.69Å; N300-N303 VanDerWaalsContact O-N 3.12Å; N300-N303 PolarHBondContact OD1-N 2.75Å; N300-N303 VanDerWaalsContact OD1-N 3.08Å; N300-A304 PolarHBondContact N-O 2.54Å; N300-A304 WeakPolarHBondContact OD1-CB 3.43Å; N300-A304 PolarHBondContact OD1-N 3.43Å; N300-A304 PolarHBondContact OD1-O 3.35Å; N300-L306 HydrophobicContact CB-CD1 3.94Å; N300-L306 HydrophobicContact CB-CD2 4.08Å; N300-L306 HydrophobicContact CB-CG 4.08Å
301	E	87	Confident	95.6	Very high	124 Å²	124	38.1 Å²	38.1	58%	0.579	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.1	178.8	-60.7	-173.6	171	0	0	113.9	K246 N303	K246-E301 HydrophobicContact CB-CG 4.29Å; K246-E301 PolarHBondContact N-OE1 3.03Å; K246-E301 WeakPolarHBondContact O-CG 3.13Å; E301-N303 VanDerWaalsContact C-N 3.27Å; E301-N303 PolarHBondContact O-N 2.68Å
302	T	91	Very high	95.6	Very high	109 Å²	109	39.8 Å²	39.8	67%	0.669	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	7	176	64.8	0	0	0	0	113.1	N300 A304	N300-T302 VanDerWaalsContact C-N 3.27Å; N300-T302 PolarHBondContact ND2-OG1 2.83Å; N300-T302 PolarHBondContact O-N 2.81Å; N300-T302 WeakPolarHBondContact OD1-CA 3.46Å; N300-T302 PolarHBondContact OD1-N 3.06Å; N300-T302 PolarHBondContact OD1-OG1 3.29Å; T302-A304 PolarHBondContact O-N 3.35Å
303	N	91.3	Very high	95.6	Very high	100 Å²	100	40 Å²	40	54%	0.535	21%	0.213	S	C	.	.			trans	60	21.3	-171.5	-57.9	-72.7	0	0	0	114.6	N300 E301	N300-N303 PolarHBondContact O-N 2.69Å; N300-N303 VanDerWaalsContact O-N 3.12Å; N300-N303 PolarHBondContact OD1-N 2.75Å; N300-N303 VanDerWaalsContact OD1-N 3.08Å; E301-N303 VanDerWaalsContact C-N 3.27Å; E301-N303 PolarHBondContact O-N 2.68Å
304	A	93.6	Very high	95.5	Very high	44 Å²	44	37.1 Å²	37.1	36%	0.364	21%	0.205	S	C	.	.			trans	-72.1	142	166.9	0	0	0	0	0	110.1	L299 N300 T302 L306	L299-A304 VanDerWaalsContact CA-O 3.3Å; L299-A304 WeakPolarHBondContact CA-O 3.27Å; N300-A304 PolarHBondContact N-O 2.54Å; N300-A304 WeakPolarHBondContact OD1-CB 3.43Å; N300-A304 PolarHBondContact OD1-N 3.43Å; N300-A304 PolarHBondContact OD1-O 3.35Å; T302-A304 PolarHBondContact O-N 3.35Å; A304-L306 PolarHBondContact O-N 2.95Å
305	I	95.6	Very high	95.5	Very high	91 Å²	91	37.1 Å²	37.1	47%	0.467	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.8	178.7	-62.1	175.1	0	0	0	109.1	T26 I297 L299 V308	T26-I305 HydrophobicContact CG2-CG2 3.99Å; I297-I305 HydrophobicContact CG2-CG1 4.17Å; I297-I305 HydrophobicContact CG2-CG2 4.37Å; L299-I305 HydrophobicContact CD2-CB 4.44Å; L299-I305 HydrophobicContact CD2-CG1 3.83Å; I305-V308 HydrophobicContact CG2-CG2 3.52Å
306	L	94.7	Very high	95.5	Very high	35 Å²	35	37.7 Å²	37.7	18%	0.183	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-44.1	173.7	-62.9	176.3	0	0	0	111.1	P210 D212 Y245 V247 L298 N300 A304	P210-L306 VanDerWaalsContact CB-O 3.27Å; P210-L306 WeakPolarHBondContact CB-O 3.43Å; P210-L306 WeakPolarHBondContact CG-O 3.46Å; D212-L306 HydrophobicContact CB-CB 4.43Å; D212-L306 HydrophobicContact CB-CD1 4.1Å; Y245-L306 HydrophobicContact CE2-CD1 4.05Å; V247-L306 HydrophobicContact CG1-CD1 4.35Å; V247-L306 HydrophobicContact CG2-CD1 4.15Å; L298-L306 HydrophobicContact CB-CB 4.24Å; L298-L306 HydrophobicContact CD2-CB 4.31Å; L298-L306 HydrophobicContact CG-CB 4.35Å; L298-L306 HydrophobicContact CG-CD1 4.44Å; L298-L306 PolarHBondContact O-N 3.28Å; N300-L306 HydrophobicContact CB-CD1 3.94Å; N300-L306 HydrophobicContact CB-CD2 4.08Å; N300-L306 HydrophobicContact CB-CG 4.08Å; A304-L306 PolarHBondContact O-N 2.95Å
307	D	96.8	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	149.1	-177.8	-174.5	33.8	0	0	0	110.9	T26 R27 P210 D212 R213 V214 L298	T26-D307 WeakPolarHBondContact OG1-CA 3.48Å; T26-D307 PolarHBondContact OG1-OD1 3.38Å; R27-D307 IonicContact CZ-OD1 2.68Å; R27-D307 IonicContact CZ-OD2 3.15Å; R27-D307 IonicContact NE-OD1 3.74Å; R27-D307 PolarHBondContact NE-OD1 2.85Å; R27-D307 IonicContact NE-OD2 2.78Å; R27-D307 IonicContact NH2-OD1 3.28Å; R27-D307 IonicContact NH2-OD2 2.75Å; R27-D307 PolarHBondContact NH2-OD2 3.22Å; P210-D307 HydrophobicContact CB-CB 4.41Å; P210-D307 HydrophobicContact CG-CB 3.97Å; D212-D307 WeakPolarHBondContact O-CB 3.4Å; R213-D307 VanDerWaalsContact CA-OD2 3.25Å; R213-D307 WeakPolarHBondContact CA-OD2 3.42Å; R213-D307 WeakPolarHBondContact CB-OD2 3.46Å; V214-D307 PolarHBondContact N-OD2 3.31Å; L298-D307 HydrophobicContact CB-CB 3.88Å; L298-D307 HydrophobicContact CD2-CB 4.26Å; L298-D307 PolarHBondContact N-O 3.12Å; L298-D307 PolarHBondContact O-N 3.36Å
308	V	98	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128	174	-172.4	0	0	0	0	109	S24 E25 T26 R295 I296 I297 I305 H310	S24-V308 VanDerWaalsContact CB-O 3.29Å; S24-V308 WeakPolarHBondContact CB-O 3.44Å; S24-V308 PolarHBondContact OG-O 3.39Å; E25-V308 HydrophobicContact CB-CG2 4.49Å; E25-V308 WeakPolarHBondContact OE2-CG1 3.43Å; T26-V308 HydrophobicContact CG2-CG2 4.19Å; T26-V308 PolarHBondContact OG1-N 2.87Å; R295-V308 HydrophobicContact CG-CG1 3.86Å; I296-V308 WeakPolarHBondContact O-CA 3.28Å; I297-V308 HydrophobicContact CG2-CG2 4.48Å; I305-V308 HydrophobicContact CG2-CG2 3.52Å; V308-H310 WeakPolarHBondContact CG1-NE2 3.5Å
309	Y	97.9	Very high	95.2	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133	171.3	-168.4	-100.8	0	0	0	110.2	L19 Y20 F22 R27 V217 R295 I296 L311	L19-Y309 HydrophobicContact CB-CE2 4.07Å; L19-Y309 HydrophobicContact CD1-CD1 4.28Å; L19-Y309 HydrophobicContact CD1-CD2 4.47Å; L19-Y309 HydrophobicContact CD1-CE1 4.02Å; L19-Y309 HydrophobicContact CD1-CE2 4.22Å; L19-Y309 HydrophobicContact CD1-CG 4.49Å; L19-Y309 HydrophobicContact CD2-CE1 4.33Å; Y20-Y309 WeakPolarHBondContact O-CE2 3.37Å; Y20-Y309 PolarHBondContact O-OH 2.95Å; F22-Y309 HydrophobicContact CD2-CE1 4.45Å; F22-Y309 HydrophobicContact CD2-CE2 4.02Å; F22-Y309 AromaticContact CD2-CZ 3.7Å; F22-Y309 VanDerWaalsContact CD2-OH 3.29Å; F22-Y309 WeakPolarHBondContact CD2-OH 3.49Å; R27-Y309 VanDerWaalsContact NH1-CD2 3.28Å; V217-Y309 HydrophobicContact CG1-CD1 4.39Å; V217-Y309 HydrophobicContact CG1-CE1 4.24Å; R295-Y309 WeakPolarHBondContact CA-O 3.46Å; I296-Y309 HydrophobicContact CD1-CD1 4.14Å; I296-Y309 PolarHBondContact N-O 2.86Å; I296-Y309 PolarHBondContact O-N 2.89Å; Y309-L311 HydrophobicContact CD1-CB 4.45Å; Y309-L311 HydrophobicContact CE1-CB 4.18Å; Y309-L311 HydrophobicContact CE1-CD1 4.47Å
310	H	97	Very high	95.1	Very high	60 Å²	60	48 Å²	48	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.8	178	-61.5	-96	0	0	0	109.4	F22 E25 V308	F22-H310 WeakPolarHBondContact CD2-O 3.31Å; E25-H310 IonicContact OE1-CE1 3.9Å; E25-H310 IonicContact OE1-NE2 3.54Å; E25-H310 IonicContact OE2-CD2 2.77Å; E25-H310 IonicContact OE2-CE1 2.68Å; E25-H310 IonicContact OE2-NE2 3.31Å; E25-H310 PolarHBondContact OE2-NE2 2.72Å; V308-H310 WeakPolarHBondContact CG1-NE2 3.5Å
311	L	97.1	Very high	95.1	Very high	37 Å²	37	51.1 Å²	51.1	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.5	177.9	-176.5	66.6	0	0	0	109.4	V217 V219 F294 Y309 I313	V217-L311 HydrophobicContact CG1-CD2 3.99Å; V219-L311 HydrophobicContact CG2-CD2 3.93Å; F294-L311 WeakPolarHBondContact CA-O 3.21Å; F294-L311 HydrophobicContact CB-CB 4.42Å; F294-L311 WeakPolarHBondContact CB-O 3.22Å; F294-L311 HydrophobicContact CD1-CB 4.44Å; F294-L311 PolarHBondContact N-O 3.08Å; F294-L311 PolarHBondContact O-N 2.9Å; Y309-L311 HydrophobicContact CD1-CB 4.45Å; Y309-L311 HydrophobicContact CE1-CB 4.18Å; Y309-L311 HydrophobicContact CE1-CD1 4.47Å; L311-I313 HydrophobicContact CD2-CG2 4.23Å; L311-I313 HydrophobicContact CG-CG2 4.24Å
312	P	97.3	Very high	95.1	Very high	59 Å²	59	52.4 Å²	52.4	38%	0.383	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.7	169.6	-18	31.9	0	0	0	110.6	L291 Y292	L291-P312 HydrophobicContact CB-CB 4.38Å; L291-P312 HydrophobicContact CD1-CB 4.24Å; Y292-P312 CarbonylContact O-C 3.52Å; Y292-P312 WeakPolarHBondContact O-CA 3.28Å
313	I	97.5	Very high	94.8	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.3	175	71.7	170.4	0	0	0	111.7	V219 A221 L231 L253 L291 Y292 F294 L311 F315	V219-I313 HydrophobicContact CB-CG2 4.38Å; V219-I313 HydrophobicContact CG1-CD1 4.09Å; V219-I313 HydrophobicContact CG1-CG2 4.13Å; A221-I313 HydrophobicContact CB-CD1 4.28Å; L231-I313 HydrophobicContact CD1-CD1 3.63Å; L253-I313 HydrophobicContact CD1-CD1 3.53Å; L253-I313 HydrophobicContact CD1-CG1 3.99Å; L291-I313 CarbonylContact C-O 3.48Å; L291-I313 WeakPolarHBondContact CA-O 3.47Å; Y292-I313 PolarHBondContact N-O 3.28Å; Y292-I313 PolarHBondContact O-N 2.8Å; F294-I313 HydrophobicContact CB-CD1 4.09Å; F294-I313 HydrophobicContact CB-CG1 4.16Å; F294-I313 HydrophobicContact CB-CG2 3.79Å; F294-I313 HydrophobicContact CD2-CD1 3.92Å; F294-I313 HydrophobicContact CG-CD1 4.35Å; F294-I313 HydrophobicContact CG-CG2 4.36Å; L311-I313 HydrophobicContact CD2-CG2 4.23Å; L311-I313 HydrophobicContact CG-CG2 4.24Å; I313-F315 HydrophobicContact CD1-CE2 4.42Å
314	G	97.4	Very high	94.8	Very high	18 Å²	18	47.5 Å²	47.5	19%	0.186	24%	0.242	C	C	.	.			trans	-113	128.2	173.3	0	0	0	0	0	110.8	R316	G314-R316 PolarHBondContact O-N 3.43Å
315	F	97.7	Very high	94.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-74.5	118.5	172.9	-78.5	-93.3	0	0	0	109.6	A221 E222 C223 L231 L253 I273 V276 W279 Y292 I313	A221-F315 HydrophobicContact CB-CD1 3.81Å; A221-F315 HydrophobicContact CB-CD2 4.36Å; A221-F315 HydrophobicContact CB-CE1 3.95Å; A221-F315 HydrophobicContact CB-CE2 4.48Å; A221-F315 HydrophobicContact CB-CG 4.04Å; A221-F315 HydrophobicContact CB-CZ 4.3Å; A221-F315 CarbonylContact O-C 3.55Å; A221-F315 WeakPolarHBondContact O-CA 3.22Å; E222-F315 WeakPolarHBondContact O-CD1 3.47Å; C223-F315 HydrophobicContact CB-CB 4.44Å; L231-F315 HydrophobicContact CB-CE1 4.1Å; L231-F315 HydrophobicContact CB-CZ 4.04Å; L231-F315 HydrophobicContact CD1-CZ 4.28Å; L253-F315 HydrophobicContact CD2-CE2 3.97Å; L253-F315 HydrophobicContact CD2-CZ 4.12Å; I273-F315 HydrophobicContact CG1-CZ 4.2Å; V276-F315 HydrophobicContact CB-CB 4.42Å; V276-F315 HydrophobicContact CB-CD1 4.47Å; V276-F315 HydrophobicContact CB-CD2 4.23Å; V276-F315 HydrophobicContact CB-CG 4.12Å; V276-F315 HydrophobicContact CG1-CD1 4.16Å; V276-F315 HydrophobicContact CG1-CD2 4.15Å; V276-F315 HydrophobicContact CG1-CE1 4.14Å; V276-F315 HydrophobicContact CG1-CE2 4.12Å; V276-F315 HydrophobicContact CG1-CG 4.17Å; V276-F315 HydrophobicContact CG1-CZ 4.1Å; V276-F315 HydrophobicContact CG2-CB 4.05Å; V276-F315 HydrophobicContact CG2-CD1 4.23Å; V276-F315 HydrophobicContact CG2-CG 4.07Å; W279-F315 PolarHBondContact N-O 3.24Å; Y292-F315 AromaticContact CD2-CD2 3.65Å; Y292-F315 HydrophobicContact CD2-CD2 3.65Å; Y292-F315 AromaticContact CD2-CE2 3.87Å; Y292-F315 HydrophobicContact CD2-CE2 3.87Å; Y292-F315 AromaticContact CE2-CD2 3.54Å; Y292-F315 HydrophobicContact CE2-CD2 3.54Å; Y292-F315 AromaticContact CE2-CE2 3.91Å; Y292-F315 HydrophobicContact CE2-CE2 3.91Å; Y292-F315 HydrophobicContact CG-CE2 4.35Å; I313-F315 HydrophobicContact CD1-CE2 4.42Å
316	R	97	Very high	94.9	Very high	51 Å²	51	42.1 Å²	42.1	19%	0.192	21%	0.207	C	C	.	.			trans	-155.5	152.5	176.3	60.8	179.6	172.5	162.3	-11.7	112	A221 E222 W279 G314 N328	A221-R316 PolarHBondContact O-N 3.02Å; A221-R316 VanDerWaalsContact O-O 3.13Å; E222-R316 WeakPolarHBondContact CA-O 3.4Å; W279-R316 HydrophobicContact CE3-CB 4.36Å; W279-R316 VanDerWaalsContact CE3-CD 3.47Å; W279-R316 HydrophobicContact CE3-CG 4.49Å; G314-R316 PolarHBondContact O-N 3.43Å; R316-N328 WeakPolarHBondContact CA-OD1 3.48Å; R316-N328 WeakPolarHBondContact CB-OD1 3.32Å
317	S	95.2	Very high	94.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	20%	0.198	C	C	.	.			trans	-112.5	145	168.8	64.5	0	0	0	0	110.8	C223 I327 N328	C223-S317 PolarHBondContact O-OG 3.44Å; S317-I327 CarbonylContact O-C 3.55Å; S317-I327 VanDerWaalsContact O-CA 3.31Å; S317-I327 WeakPolarHBondContact O-CA 3.37Å; S317-N328 PolarHBondContact N-OD1 2.92Å; S317-N328 PolarHBondContact O-N 3.02Å; S317-N328 VanDerWaalsContact OG-CA 3.3Å; S317-N328 WeakPolarHBondContact OG-CA 3.16Å; S317-N328 PolarHBondContact OG-N 3.2Å
318	I	95.8	Very high	94.8	Very high	43 Å²	43	41 Å²	41	22%	0.221	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126	173.2	-60.2	174.8	0	0	0	106.9	F325 L326 P416	I318-F325 HydrophobicContact CG2-CE1 3.8Å; I318-F325 HydrophobicContact CG2-CE2 4.41Å; I318-F325 HydrophobicContact CG2-CZ 3.58Å; I318-L326 WeakPolarHBondContact CA-O 3.41Å; I318-P416 HydrophobicContact CG2-CG 4.27Å
319	R	94.2	Very high	94.6	Very high	119 Å²	119	42.5 Å²	42.5	45%	0.449	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.8	-179.5	-60.6	-176.5	-175.6	-165.3	2.8	110.9	L326 D329	R319-L326 HydrophobicContact CB-CB 4.34Å; R319-L326 PolarHBondContact N-O 2.88Å; R319-L326 PolarHBondContact O-N 2.85Å; R319-D329 IonicContact NE-OD1 2.73Å
320	L	93.3	Very high	94.3	Very high	65 Å²	65	45.5 Å²	45.5	34%	0.34	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.3	167.3	-67.2	171.5	0	0	0	107.7	R324 F325 P416 D437 V438 P475	L320-R324 WeakPolarHBondContact CA-O 3.49Å; L320-F325 HydrophobicContact CD2-CB 4.17Å; L320-F325 HydrophobicContact CD2-CD2 3.56Å; L320-F325 HydrophobicContact CD2-CE2 4.28Å; L320-F325 HydrophobicContact CD2-CG 4.11Å; L320-P416 HydrophobicContact CD1-CB 3.82Å; L320-D437 HydrophobicContact CD1-CB 3.4Å; L320-V438 HydrophobicContact CD1-CG2 4.1Å; L320-V438 HydrophobicContact CD2-CG2 4.06Å; L320-P475 HydrophobicContact CD2-CG 4.08Å
321	E	91.4	Very high	94.2	Very high	101 Å²	101	45 Å²	45	47%	0.472	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	127.3	-177.2	-176.2	170.6	-134.5	0	0	109.1	G323 R324 L326	E321-G323 VanDerWaalsContact C-N 3.27Å; E321-G323 PolarHBondContact O-N 3.45Å; E321-G323 VanDerWaalsContact O-N 3.17Å; E321-R324 PolarHBondContact N-O 3.38Å; E321-R324 VanDerWaalsContact N-O 3.12Å; E321-R324 WeakPolarHBondContact O-CB 3.33Å; E321-R324 PolarHBondContact O-N 3.02Å; E321-L326 HydrophobicContact CB-CD1 3.91Å; E321-L326 WeakPolarHBondContact OE2-CD1 3.1Å
322	E	86.5	Confident	94.1	Very high	151 Å²	151	43.5 Å²	43.5	71%	0.706	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.1	175.6	-60.4	175.3	161.5	0	0	114.1	R324	E322-R324 PolarHBondContact O-N 2.87Å; E322-R324 IonicContact OE2-CZ 3.91Å; E322-R324 IonicContact OE2-NH2 3.82Å; E322-R324 PolarHBondContact OE2-NH2 2.91Å
323	G	85.7	Confident	94.1	Very high	23 Å²	23	41.6 Å²	41.6	24%	0.237	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	10.4	-179.2	0	0	0	0	0	114.8	E321 P475	E321-G323 VanDerWaalsContact C-N 3.27Å; E321-G323 PolarHBondContact O-N 3.45Å; E321-G323 VanDerWaalsContact O-N 3.17Å; G323-P475 WeakPolarHBondContact O-CB 3.41Å
324	R	91.8	Very high	94.1	Very high	83 Å²	83	41.4 Å²	41.4	31%	0.313	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.5	177.1	-62.4	178.1	-75.4	175.6	-6.1	111.5	L320 E321 E322 L326	L320-R324 WeakPolarHBondContact CA-O 3.49Å; E321-R324 PolarHBondContact N-O 3.38Å; E321-R324 VanDerWaalsContact N-O 3.12Å; E321-R324 WeakPolarHBondContact O-CB 3.33Å; E321-R324 PolarHBondContact O-N 3.02Å; E322-R324 PolarHBondContact O-N 2.87Å; E322-R324 IonicContact OE2-CZ 3.91Å; E322-R324 IonicContact OE2-NH2 3.82Å; E322-R324 PolarHBondContact OE2-NH2 2.91Å; R324-L326 HydrophobicContact CB-CD2 4.07Å
325	F	95.4	Very high	94.2	Very high	15 Å²	15	40.6 Å²	40.6	7%	0.066	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.5	168.6	-162.5	-74.9	0	0	0	109	I318 L320 I327 F332 F334 P416 V438 I522	I318-F325 HydrophobicContact CG2-CE1 3.8Å; I318-F325 HydrophobicContact CG2-CE2 4.41Å; I318-F325 HydrophobicContact CG2-CZ 3.58Å; L320-F325 HydrophobicContact CD2-CB 4.17Å; L320-F325 HydrophobicContact CD2-CD2 3.56Å; L320-F325 HydrophobicContact CD2-CE2 4.28Å; L320-F325 HydrophobicContact CD2-CG 4.11Å; F325-I327 HydrophobicContact CD1-CG1 4.16Å; F325-I327 HydrophobicContact CE1-CD1 4.1Å; F325-I327 HydrophobicContact CE1-CG1 3.82Å; F325-F332 HydrophobicContact CD1-CB 4.2Å; F325-F332 HydrophobicContact CD1-CD1 4.15Å; F325-F332 HydrophobicContact CE1-CD1 4.41Å; F325-F332 PolarHBondContact O-N 3.03Å; F325-F334 HydrophobicContact CB-CE2 4.42Å; F325-F334 AromaticContact CD1-CE2 3.94Å; F325-F334 HydrophobicContact CD1-CE2 3.94Å; F325-F334 HydrophobicContact CD1-CZ 4.19Å; F325-F334 AromaticContact CD2-CE2 3.89Å; F325-F334 HydrophobicContact CD2-CE2 3.89Å; F325-F334 HydrophobicContact CD2-CZ 4.22Å; F325-F334 HydrophobicContact CE1-CE2 4.12Å; F325-F334 AromaticContact CE1-CZ 3.89Å; F325-F334 HydrophobicContact CE1-CZ 3.89Å; F325-F334 HydrophobicContact CE2-CE2 4.08Å; F325-F334 AromaticContact CE2-CZ 3.92Å; F325-F334 HydrophobicContact CE2-CZ 3.92Å; F325-F334 AromaticContact CG-CE2 3.83Å; F325-F334 HydrophobicContact CG-CE2 3.83Å; F325-F334 HydrophobicContact CG-CZ 4.36Å; F325-F334 HydrophobicContact CZ-CE2 4.2Å; F325-F334 AromaticContact CZ-CZ 3.75Å; F325-F334 HydrophobicContact CZ-CZ 3.75Å; F325-P416 HydrophobicContact CE2-CG 3.69Å; F325-P416 HydrophobicContact CZ-CG 4.08Å; F325-V438 HydrophobicContact CD2-CG2 4.24Å; F325-V438 HydrophobicContact CE2-CG2 4.46Å; F325-I522 HydrophobicContact CB-CB 4.21Å; F325-I522 HydrophobicContact CB-CD1 3.71Å; F325-I522 HydrophobicContact CB-CG2 4.26Å; F325-I522 HydrophobicContact CD2-CD1 3.8Å; F325-I522 HydrophobicContact CG-CD1 4.13Å
326	L	95.3	Very high	94.2	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.8	-177	-53	-177	0	0	0	110.3	I318 R319 E321 R324 K330 P331	I318-L326 WeakPolarHBondContact CA-O 3.41Å; R319-L326 HydrophobicContact CB-CB 4.34Å; R319-L326 PolarHBondContact N-O 2.88Å; R319-L326 PolarHBondContact O-N 2.85Å; E321-L326 HydrophobicContact CB-CD1 3.91Å; E321-L326 WeakPolarHBondContact OE2-CD1 3.1Å; R324-L326 HydrophobicContact CB-CD2 4.07Å; L326-K330 CarbonylContact C-O 3.54Å; L326-K330 VanDerWaalsContact CA-O 3.28Å; L326-K330 WeakPolarHBondContact CA-O 3.4Å; L326-P331 HydrophobicContact CD2-CB 4.27Å; L326-P331 HydrophobicContact CD2-CG 3.97Å
327	I	95.7	Very high	94.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.3	164.7	-61.1	-178.9	0	0	0	107.5	P281 S317 F325 D329 K330 F332 V391	P281-I327 HydrophobicContact CG-CB 4.28Å; P281-I327 HydrophobicContact CG-CD1 3.69Å; P281-I327 HydrophobicContact CG-CG2 3.8Å; S317-I327 CarbonylContact O-C 3.55Å; S317-I327 VanDerWaalsContact O-CA 3.31Å; S317-I327 WeakPolarHBondContact O-CA 3.37Å; F325-I327 HydrophobicContact CD1-CG1 4.16Å; F325-I327 HydrophobicContact CE1-CD1 4.1Å; F325-I327 HydrophobicContact CE1-CG1 3.82Å; I327-D329 PolarHBondContact O-N 3.45Å; I327-K330 PolarHBondContact N-O 3.2Å; I327-K330 PolarHBondContact O-N 3.15Å; I327-F332 HydrophobicContact CB-CB 4.34Å; I327-F332 HydrophobicContact CD1-CB 4.01Å; I327-F332 HydrophobicContact CD1-CD1 3.74Å; I327-F332 HydrophobicContact CD1-CD2 3.94Å; I327-F332 HydrophobicContact CD1-CE1 4.16Å; I327-F332 HydrophobicContact CD1-CE2 4.34Å; I327-F332 HydrophobicContact CD1-CG 3.61Å; I327-F332 HydrophobicContact CD1-CZ 4.44Å; I327-F332 HydrophobicContact CG1-CB 3.91Å; I327-F332 HydrophobicContact CG1-CD1 4.44Å; I327-F332 HydrophobicContact CG1-CG 4.1Å; I327-V391 HydrophobicContact CD1-CG2 3.92Å
328	N	94.9	Very high	94.5	Very high	12 Å²	12	38 Å²	38	6%	0.064	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	43.7	-176.7	-51.5	-34.5	0	0	0	111.9	I278 W279 W280 R316 S317 K330	I278-N328 HydrophobicContact CG2-CB 4.25Å; I278-N328 VanDerWaalsContact CG2-CG 3.45Å; I278-N328 WeakPolarHBondContact CG2-ND2 3.48Å; W279-N328 PolarHBondContact O-ND2 3.29Å; W280-N328 HydrophobicContact CE3-CB 4.23Å; W280-N328 VanDerWaalsContact CE3-ND2 3.34Å; W280-N328 HydrophobicContact CH2-CB 3.29Å; W280-N328 HydrophobicContact CZ2-CB 3.9Å; W280-N328 HydrophobicContact CZ3-CB 3.49Å; W280-N328 VanDerWaalsContact CZ3-CB 3.49Å; W280-N328 WeakPolarHBondContact CZ3-ND2 3.38Å; R316-N328 WeakPolarHBondContact CA-OD1 3.48Å; R316-N328 WeakPolarHBondContact CB-OD1 3.32Å; S317-N328 PolarHBondContact N-OD1 2.92Å; S317-N328 PolarHBondContact O-N 3.02Å; S317-N328 VanDerWaalsContact OG-CA 3.3Å; S317-N328 WeakPolarHBondContact OG-CA 3.16Å; S317-N328 PolarHBondContact OG-N 3.2Å; N328-K330 PolarHBondContact O-N 3.41Å; N328-K330 VanDerWaalsContact O-N 3.09Å
329	D	92.5	Very high	94.6	Very high	31 Å²	31	36.1 Å²	36.1	17%	0.166	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	15.3	-176.5	-54.1	-55.9	0	0	0	115.9	K225 R319 I327	K225-D329 HydrophobicContact CD-CB 4.28Å; K225-D329 VanDerWaalsContact CE-CG 3.5Å; K225-D329 HydrophobicContact CG-CB 4Å; K225-D329 WeakPolarHBondContact CG-OD2 3.26Å; R319-D329 IonicContact NE-OD1 2.73Å; I327-D329 PolarHBondContact O-N 3.45Å
330	K	92.4	Very high	94.7	Very high	66 Å²	66	30.8 Å²	30.8	29%	0.287	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138	172	-70.5	-171.1	175.2	-178.8	0	110.8	W280 M284 L326 I327 N328 F332 V577	W280-K330 HydrophobicContact CH2-CD 3.85Å; W280-K330 HydrophobicContact CH2-CG 4.25Å; W280-K330 HydrophobicContact CZ3-CB 4.44Å; W280-K330 HydrophobicContact CZ3-CD 3.87Å; W280-K330 HydrophobicContact CZ3-CG 4.33Å; M284-K330 HydrophobicContact CE-CB 3.75Å; L326-K330 CarbonylContact C-O 3.54Å; L326-K330 VanDerWaalsContact CA-O 3.28Å; L326-K330 WeakPolarHBondContact CA-O 3.4Å; I327-K330 PolarHBondContact N-O 3.2Å; I327-K330 PolarHBondContact O-N 3.15Å; N328-K330 PolarHBondContact O-N 3.41Å; N328-K330 VanDerWaalsContact O-N 3.09Å; K330-F332 PolarHBondContact O-N 3.3Å; K330-V577 VanDerWaalsContact NZ-CG1 3.33Å
331	P	94.1	Very high	95	Very high	50 Å²	50	29 Å²	29	33%	0.325	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	127.9	172.3	-25.2	34.7	0	0	0	111.5	L326	L326-P331 HydrophobicContact CD2-CB 4.27Å; L326-P331 HydrophobicContact CD2-CG 3.97Å
332	F	95.7	Very high	95.3	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.022	12%	0.122	C	C	.	.			trans	-112.5	127.1	176.1	179.7	-107.1	0	0	0	109.2	P281 M284 F325 I327 K330 F334 N368 V391	P281-F332 HydrophobicContact CB-CD2 4.24Å; P281-F332 HydrophobicContact CB-CE2 3.71Å; P281-F332 HydrophobicContact CG-CD2 4.18Å; P281-F332 HydrophobicContact CG-CE2 4.06Å; M284-F332 HydrophobicContact SD-CD2 3.53Å; M284-F332 VanDerWaalsContact SD-CD2 3.53Å; M284-F332 HydrophobicContact SD-CE2 4.21Å; M284-F332 HydrophobicContact SD-CG 4.49Å; F325-F332 HydrophobicContact CD1-CB 4.2Å; F325-F332 HydrophobicContact CD1-CD1 4.15Å; F325-F332 HydrophobicContact CE1-CD1 4.41Å; F325-F332 PolarHBondContact O-N 3.03Å; I327-F332 HydrophobicContact CB-CB 4.34Å; I327-F332 HydrophobicContact CD1-CB 4.01Å; I327-F332 HydrophobicContact CD1-CD1 3.74Å; I327-F332 HydrophobicContact CD1-CD2 3.94Å; I327-F332 HydrophobicContact CD1-CE1 4.16Å; I327-F332 HydrophobicContact CD1-CE2 4.34Å; I327-F332 HydrophobicContact CD1-CG 3.61Å; I327-F332 HydrophobicContact CD1-CZ 4.44Å; I327-F332 HydrophobicContact CG1-CB 3.91Å; I327-F332 HydrophobicContact CG1-CD1 4.44Å; I327-F332 HydrophobicContact CG1-CG 4.1Å; K330-F332 PolarHBondContact O-N 3.3Å; F332-F334 HydrophobicContact CD1-CD1 4.37Å; F332-F334 AromaticContact CD1-CD2 3.8Å; F332-F334 HydrophobicContact CD1-CD2 3.8Å; F332-F334 HydrophobicContact CD1-CE1 4.25Å; F332-F334 AromaticContact CD1-CE2 3.66Å; F332-F334 HydrophobicContact CD1-CE2 3.66Å; F332-F334 HydrophobicContact CD1-CG 4.15Å; F332-F334 AromaticContact CD1-CZ 3.89Å; F332-F334 HydrophobicContact CD1-CZ 3.89Å; F332-F334 HydrophobicContact CE1-CB 4.36Å; F332-F334 AromaticContact CE1-CD1 3.57Å; F332-F334 HydrophobicContact CE1-CD1 3.57Å; F332-F334 AromaticContact CE1-CD2 3.77Å; F332-F334 HydrophobicContact CE1-CD2 3.77Å; F332-F334 AromaticContact CE1-CE1 3.64Å; F332-F334 HydrophobicContact CE1-CE1 3.64Å; F332-F334 AromaticContact CE1-CE2 3.84Å; F332-F334 HydrophobicContact CE1-CE2 3.84Å; F332-F334 AromaticContact CE1-CG 3.62Å; F332-F334 HydrophobicContact CE1-CG 3.62Å; F332-F334 AromaticContact CE1-CZ 3.77Å; F332-F334 HydrophobicContact CE1-CZ 3.77Å; F332-F334 HydrophobicContact CZ-CD1 4.46Å; F332-N368 HydrophobicContact CE2-CB 4.32Å; F332-N368 VanDerWaalsContact CE2-ND2 3.33Å; F332-N368 WeakPolarHBondContact CE2-ND2 3.37Å; F332-N368 HydrophobicContact CZ-CB 4.36Å; F332-V391 HydrophobicContact CE1-CB 4.12Å; F332-V391 HydrophobicContact CE1-CG1 4.14Å; F332-V391 HydrophobicContact CE1-CG2 4.05Å; F332-V391 HydrophobicContact CE2-CG2 4.08Å; F332-V391 HydrophobicContact CZ-CB 3.88Å; F332-V391 HydrophobicContact CZ-CG1 4.4Å; F332-V391 HydrophobicContact CZ-CG2 3.57Å
333	Y	97.2	Very high	95.8	Very high	20 Å²	20	17.8 Å²	17.8	8%	0.078	9%	0.091	C	C	.	.			trans	-107.7	120.5	172.7	-169.5	-95.3	0	0	0	108.9	A335 N368 M517 L521 I522 G523 E524 L569	Y333-A335 PolarHBondContact O-N 3.42Å; Y333-N368 PolarHBondContact O-ND2 2.92Å; Y333-M517 HydrophobicContact CD1-CE 4.43Å; Y333-M517 HydrophobicContact CD2-CG 3.79Å; Y333-M517 HydrophobicContact CE1-CE 3.8Å; Y333-M517 HydrophobicContact CE2-CB 4.42Å; Y333-M517 HydrophobicContact CE2-CE 4.11Å; Y333-M517 HydrophobicContact CE2-CG 3.58Å; Y333-M517 HydrophobicContact CE2-SD 4.44Å; Y333-M517 HydrophobicContact CG-CG 4.48Å; Y333-L521 HydrophobicContact CE2-CG 4.28Å; Y333-L521 WeakPolarHBondContact CE2-O 3.18Å; Y333-L521 WeakPolarHBondContact OH-CD2 3.25Å; Y333-I522 CarbonylContact C-O 3.45Å; Y333-I522 VanDerWaalsContact CA-O 3.3Å; Y333-I522 WeakPolarHBondContact CA-O 3.24Å; Y333-I522 VanDerWaalsContact CD2-C 3.44Å; Y333-G523 VanDerWaalsContact CE2-N 3.34Å; Y333-E524 HydrophobicContact CE1-CG 3.87Å; Y333-E524 PolarHBondContact OH-OE2 3.33Å; Y333-L569 HydrophobicContact CD1-CD1 4.32Å; Y333-L569 HydrophobicContact CE1-CD1 4.09Å
334	F	98.1	Very high	96.2	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.031	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	116.4	176.6	-63.6	-105.8	0	0	0	108.6	F325 F332 V391 I393 L477 I522 G523 E524 M525	F325-F334 HydrophobicContact CB-CE2 4.42Å; F325-F334 AromaticContact CD1-CE2 3.94Å; F325-F334 HydrophobicContact CD1-CE2 3.94Å; F325-F334 HydrophobicContact CD1-CZ 4.19Å; F325-F334 AromaticContact CD2-CE2 3.89Å; F325-F334 HydrophobicContact CD2-CE2 3.89Å; F325-F334 HydrophobicContact CD2-CZ 4.22Å; F325-F334 HydrophobicContact CE1-CE2 4.12Å; F325-F334 AromaticContact CE1-CZ 3.89Å; F325-F334 HydrophobicContact CE1-CZ 3.89Å; F325-F334 HydrophobicContact CE2-CE2 4.08Å; F325-F334 AromaticContact CE2-CZ 3.92Å; F325-F334 HydrophobicContact CE2-CZ 3.92Å; F325-F334 AromaticContact CG-CE2 3.83Å; F325-F334 HydrophobicContact CG-CE2 3.83Å; F325-F334 HydrophobicContact CG-CZ 4.36Å; F325-F334 HydrophobicContact CZ-CE2 4.2Å; F325-F334 AromaticContact CZ-CZ 3.75Å; F325-F334 HydrophobicContact CZ-CZ 3.75Å; F332-F334 HydrophobicContact CD1-CD1 4.37Å; F332-F334 AromaticContact CD1-CD2 3.8Å; F332-F334 HydrophobicContact CD1-CD2 3.8Å; F332-F334 HydrophobicContact CD1-CE1 4.25Å; F332-F334 AromaticContact CD1-CE2 3.66Å; F332-F334 HydrophobicContact CD1-CE2 3.66Å; F332-F334 HydrophobicContact CD1-CG 4.15Å; F332-F334 AromaticContact CD1-CZ 3.89Å; F332-F334 HydrophobicContact CD1-CZ 3.89Å; F332-F334 HydrophobicContact CE1-CB 4.36Å; F332-F334 AromaticContact CE1-CD1 3.57Å; F332-F334 HydrophobicContact CE1-CD1 3.57Å; F332-F334 AromaticContact CE1-CD2 3.77Å; F332-F334 HydrophobicContact CE1-CD2 3.77Å; F332-F334 AromaticContact CE1-CE1 3.64Å; F332-F334 HydrophobicContact CE1-CE1 3.64Å; F332-F334 AromaticContact CE1-CE2 3.84Å; F332-F334 HydrophobicContact CE1-CE2 3.84Å; F332-F334 AromaticContact CE1-CG 3.62Å; F332-F334 HydrophobicContact CE1-CG 3.62Å; F332-F334 AromaticContact CE1-CZ 3.77Å; F332-F334 HydrophobicContact CE1-CZ 3.77Å; F332-F334 HydrophobicContact CZ-CD1 4.46Å; F334-V391 HydrophobicContact CE1-CG1 3.76Å; F334-V391 HydrophobicContact CZ-CG1 4.41Å; F334-I393 HydrophobicContact CD1-CD1 4.13Å; F334-I393 HydrophobicContact CD1-CG1 4.39Å; F334-I393 HydrophobicContact CE1-CD1 4.03Å; F334-I393 HydrophobicContact CE1-CG1 3.95Å; F334-L477 HydrophobicContact CB-CD1 3.89Å; F334-L477 HydrophobicContact CD2-CD1 4.2Å; F334-L477 HydrophobicContact CG-CD1 4.14Å; F334-I522 HydrophobicContact CD2-CD1 4.47Å; F334-I522 WeakPolarHBondContact CD2-O 3.47Å; F334-I522 HydrophobicContact CE2-CD1 4.18Å; F334-I522 PolarHBondContact N-O 3.11Å; F334-G523 CarbonylContact O-C 3.58Å; F334-G523 WeakPolarHBondContact O-CA 3.4Å; F334-E524 PolarHBondContact O-N 2.98Å; F334-M525 HydrophobicContact CB-CE 4.37Å; F334-M525 HydrophobicContact CD1-CE 3.94Å
335	A	98.1	Very high	96.4	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	102.1	169.8	0	0	0	0	0	107.1	Y333 A367 N368 Y566 L569	Y333-A335 PolarHBondContact O-N 3.42Å; A335-A367 CarbonylContact O-C 3.53Å; A335-A367 VanDerWaalsContact O-CA 3.25Å; A335-A367 WeakPolarHBondContact O-CA 3.23Å; A335-N368 PolarHBondContact N-OD1 2.96Å; A335-N368 PolarHBondContact O-N 2.87Å; A335-N368 PolarHBondContact O-OD1 2.92Å; A335-Y566 HydrophobicContact CB-CD1 3.92Å; A335-Y566 HydrophobicContact CB-CD2 4.33Å; A335-Y566 HydrophobicContact CB-CE1 4.07Å; A335-Y566 HydrophobicContact CB-CE2 4.46Å; A335-Y566 HydrophobicContact CB-CG 4.06Å; A335-L569 HydrophobicContact CB-CD1 4.32Å
336	G	98.5	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	-157.8	-163	0	0	0	0	0	115.7	S369 E524 M525 V526 Y566	G336-S369 WeakPolarHBondContact CA-O 3.29Å; G336-E524 PolarHBondContact N-O 3.29Å; G336-M525 VanDerWaalsContact O-CA 3.32Å; G336-M525 WeakPolarHBondContact O-CA 3.35Å; G336-V526 PolarHBondContact O-N 2.81Å; G336-Y566 PolarHBondContact N-OH 2.81Å; G336-Y566 PolarHBondContact O-OH 3.21Å
337	F	98.9	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.9	-178.1	-60.7	-89	0	0	0	111.3	M339 L362 F365 A367 S369 F370 R371 V526 F529 V548 I562 Y566	F337-M339 HydrophobicContact CB-CG 4.2Å; F337-L362 HydrophobicContact CD2-CD2 3.55Å; F337-L362 HydrophobicContact CE2-CD2 4.04Å; F337-F365 HydrophobicContact CE2-CB 4.2Å; F337-F365 AromaticContact CE2-CD2 3.75Å; F337-F365 HydrophobicContact CE2-CD2 3.75Å; F337-F365 HydrophobicContact CE2-CE2 4.25Å; F337-F365 AromaticContact CE2-CG 3.97Å; F337-F365 HydrophobicContact CE2-CG 3.97Å; F337-F365 HydrophobicContact CZ-CB 4.4Å; F337-F365 HydrophobicContact CZ-CD1 4.02Å; F337-F365 AromaticContact CZ-CD2 3.7Å; F337-F365 HydrophobicContact CZ-CD2 3.7Å; F337-F365 HydrophobicContact CZ-CE1 4.15Å; F337-F365 AromaticContact CZ-CE2 3.87Å; F337-F365 HydrophobicContact CZ-CE2 3.87Å; F337-F365 AromaticContact CZ-CG 3.8Å; F337-F365 HydrophobicContact CZ-CG 3.8Å; F337-F365 HydrophobicContact CZ-CZ 4.1Å; F337-A367 HydrophobicContact CD2-CB 4.14Å; F337-A367 HydrophobicContact CE2-CB 3.85Å; F337-S369 PolarHBondContact N-O 3.07Å; F337-F370 CarbonylContact O-C 3.53Å; F337-F370 VanDerWaalsContact O-CA 3.23Å; F337-F370 WeakPolarHBondContact O-CA 3.37Å; F337-F370 WeakPolarHBondContact O-CB 3.42Å; F337-R371 PolarHBondContact O-N 3.13Å; F337-V526 WeakPolarHBondContact CA-O 3.38Å; F337-V526 HydrophobicContact CD1-CB 3.63Å; F337-V526 HydrophobicContact CD1-CG1 4.09Å; F337-V526 HydrophobicContact CE1-CB 3.76Å; F337-V526 HydrophobicContact CE1-CG1 4.09Å; F337-V526 HydrophobicContact CE1-CG2 4.28Å; F337-F529 HydrophobicContact CB-CB 3.87Å; F337-F529 HydrophobicContact CD1-CB 4.19Å; F337-F529 HydrophobicContact CD2-CD2 4.01Å; F337-F529 HydrophobicContact CE2-CD2 4.29Å; F337-F529 HydrophobicContact CG-CB 4.02Å; F337-F529 HydrophobicContact CG-CD2 4.14Å; F337-V548 HydrophobicContact CD1-CG2 4.37Å; F337-V548 HydrophobicContact CE1-CG2 3.57Å; F337-V548 HydrophobicContact CZ-CG2 4.19Å; F337-I562 HydrophobicContact CE1-CG2 4.19Å; F337-I562 HydrophobicContact CZ-CG2 3.79Å; F337-Y566 HydrophobicContact CD2-CE2 4.49Å; F337-Y566 HydrophobicContact CE2-CD2 4.4Å; F337-Y566 AromaticContact CE2-CE2 3.87Å; F337-Y566 HydrophobicContact CE2-CE2 3.87Å; F337-Y566 AromaticContact CZ-CE2 3.96Å; F337-Y566 HydrophobicContact CZ-CE2 3.96Å
338	G	98.4	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.2	146.9	0	0	0	0	0	108.3	V526 N528 F529	G338-V526 PolarHBondContact N-O 2.77Å; G338-V526 VanDerWaalsContact N-O 3.08Å; G338-N528 PolarHBondContact O-ND2 3.28Å; G338-N528 PolarHBondContact O-OD1 3.14Å; G338-F529 PolarHBondContact O-N 2.94Å; G338-F529 VanDerWaalsContact O-N 3.1Å
339	M	98.1	Very high	96.8	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.124	C	C	.	.			trans	-117.2	178.4	-179.7	-68.5	-173.8	74.1	0	0	111.1	F337 D358 L362 F370 R371 S373 Y377 M381 F529	F337-M339 HydrophobicContact CB-CG 4.2Å; M339-D358 HydrophobicContact CE-CB 3.99Å; M339-L362 HydrophobicContact CE-CD1 4.47Å; M339-L362 HydrophobicContact SD-CD1 3.99Å; M339-L362 HydrophobicContact SD-CD2 4.36Å; M339-F370 HydrophobicContact CG-CB 4Å; M339-F370 HydrophobicContact SD-CB 3.58Å; M339-F370 VanDerWaalsContact SD-CB 3.58Å; M339-F370 HydrophobicContact SD-CD1 4.29Å; M339-F370 HydrophobicContact SD-CD2 3.83Å; M339-F370 HydrophobicContact SD-CG 3.65Å; M339-R371 PolarHBondContact N-O 2.8Å; M339-S373 VanDerWaalsContact O-CB 3.29Å; M339-S373 WeakPolarHBondContact O-CB 3.13Å; M339-S373 VanDerWaalsContact O-O 3.08Å; M339-Y377 HydrophobicContact CB-CE2 3.94Å; M339-Y377 WeakPolarHBondContact CB-OH 3.38Å; M339-Y377 PolarHBondContact O-OH 2.9Å; M339-M381 HydrophobicContact CE-CE 4.14Å; M339-M381 HydrophobicContact SD-CE 4.2Å; M339-F529 HydrophobicContact CE-CB 4.45Å; M339-F529 HydrophobicContact CE-CD1 3.75Å; M339-F529 HydrophobicContact CE-CD2 4.36Å; M339-F529 HydrophobicContact CE-CE1 4.01Å; M339-F529 HydrophobicContact CE-CG 3.94Å; M339-F529 HydrophobicContact CE-CZ 4.4Å; M339-F529 HydrophobicContact CG-CB 3.73Å; M339-F529 HydrophobicContact CG-CG 4.21Å
340	H	97.8	Very high	97	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.037	12%	0.123	C	C	.	.			trans	-141.3	143	163.7	-92.5	-72.2	0	0	0	109.8	F194 D342 S373 H374 Y375 Y377 W527 F532	F194-H340 AromaticContact CD1-CE1 3.65Å; F194-H340 AromaticContact CG-CE1 3.95Å; H340-D342 HydrophobicContact CB-CB 3.95Å; H340-D342 PolarHBondContact O-N 2.69Å; H340-S373 PolarHBondContact CE1-O 3.49Å; H340-S373 PolarHBondContact ND1-O 2.85Å; H340-H374 AromaticContact CE1-CD2 3.96Å; H340-Y375 AromaticContact CE1-CE1 3.99Å; H340-Y375 AromaticContact ND1-CE1 3.71Å; H340-Y375 AromaticContact ND1-CZ 3.67Å; H340-Y375 PolarHBondContact ND1-OH 2.58Å; H340-Y377 WeakPolarHBondContact CA-OH 3.43Å; H340-Y377 PolarHBondContact N-OH 3.15Å; H340-Y377 VanDerWaalsContact N-OH 3.11Å; H340-W527 AromaticContact CD2-CH2 3.69Å; H340-W527 AromaticContact CD2-CZ2 3.99Å; H340-W527 AromaticContact NE2-CH2 3.35Å; H340-W527 VanDerWaalsContact NE2-CH2 3.35Å; H340-W527 WeakPolarHBondContact NE2-CH2 3.25Å; H340-W527 AromaticContact NE2-CZ2 3.67Å; H340-F532 HydrophobicContact CB-CB 4.36Å; H340-F532 HydrophobicContact CB-CG 4.4Å; H340-F532 AromaticContact CD2-CD1 3.72Å; H340-F532 AromaticContact CD2-CD2 3.75Å; H340-F532 AromaticContact CD2-CE1 3.7Å; H340-F532 AromaticContact CD2-CE2 3.74Å; H340-F532 AromaticContact CD2-CG 3.75Å; H340-F532 AromaticContact CD2-CZ 3.72Å; H340-F532 AromaticContact NE2-CE2 3.72Å; H340-F532 AromaticContact NE2-CZ 3.75Å
341	E	97.7	Very high	97.3	Very high	27 Å²	27	22.8 Å²	22.8	13%	0.126	12%	0.119	C	C	.	.	S	Bend	trans	-69.8	79.8	157.3	-66	-175.6	125.1	0	0	107.7	R202 R348 Y375 Y377 S378	R202-E341 IonicContact CZ-OE2 3.74Å; R202-E341 IonicContact NE-OE1 3.85Å; R202-E341 IonicContact NE-OE2 3.04Å; R202-E341 IonicContact NH2-OE1 2.68Å; R202-E341 IonicContact NH2-OE2 3.25Å; R202-E341 PolarHBondContact NH2-OE2 3.08Å; E341-R348 VanDerWaalsContact O-CA 3.31Å; E341-R348 WeakPolarHBondContact O-CA 3.47Å; E341-R348 VanDerWaalsContact O-CG 3.31Å; E341-R348 WeakPolarHBondContact O-CG 3.4Å; E341-Y375 HydrophobicContact CB-CE2 4.05Å; E341-Y375 HydrophobicContact CG-CE2 4.26Å; E341-Y375 PolarHBondContact N-OH 2.88Å; E341-Y377 HydrophobicContact CG-CD1 3.7Å; E341-Y377 HydrophobicContact CG-CD2 4.14Å; E341-Y377 HydrophobicContact CG-CE1 4.09Å; E341-Y377 HydrophobicContact CG-CE2 4.48Å; E341-Y377 HydrophobicContact CG-CG 3.75Å; E341-S378 PolarHBondContact OE1-N 3.32Å
342	D	98.4	Very high	97.4	Very high	9 Å²	9	23.6 Å²	23.6	5%	0.048	12%	0.124	C	C	.	.			trans	-143	130.4	179.9	178.3	-75.5	0	0	0	110.2	H340 G347 F532 M533 R551 R553	H340-D342 HydrophobicContact CB-CB 3.95Å; H340-D342 PolarHBondContact O-N 2.69Å; D342-G347 WeakPolarHBondContact CA-O 3.21Å; D342-F532 HydrophobicContact CB-CB 3.75Å; D342-F532 WeakPolarHBondContact OD1-CA 3.07Å; D342-M533 PolarHBondContact OD2-N 3.41Å; D342-M533 VanDerWaalsContact OD2-N 3.12Å; D342-R551 IonicContact OD1-CZ 3.55Å; D342-R551 VanDerWaalsContact OD1-CZ 3.25Å; D342-R551 IonicContact OD1-NE 2.81Å; D342-R551 PolarHBondContact OD1-NE 3.31Å; D342-R551 IonicContact OD1-NH2 3.44Å; D342-R551 PolarHBondContact OD1-NH2 3.41Å; D342-R551 IonicContact OD2-CZ 3.44Å; D342-R551 IonicContact OD2-NE 3.37Å; D342-R551 IonicContact OD2-NH2 2.71Å; D342-R551 PolarHBondContact OD2-NH2 2.82Å; D342-R553 PolarHBondContact O-NH1 2.91Å; D342-R553 PolarHBondContact O-NH2 2.98Å
343	S	97.2	Very high	97.5	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.049	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-151.5	164.1	174.7	62.6	0	0	0	0	112.3	V345 H346 G347 I354 R551	S343-V345 PolarHBondContact O-N 3.04Å; S343-H346 WeakPolarHBondContact OG-CB 3.33Å; S343-G347 PolarHBondContact N-O 3.28Å; S343-G347 PolarHBondContact O-N 3.46Å; S343-G347 VanDerWaalsContact O-N 3.15Å; S343-I354 VanDerWaalsContact CB-CD1 3.41Å; S343-I354 VanDerWaalsContact OG-CD1 3.28Å; S343-I354 WeakPolarHBondContact OG-CD1 3.35Å; S343-R551 PolarHBondContact O-NH2 2.99Å
344	E	95.1	Very high	97.6	Very high	100 Å²	100	29.3 Å²	29.3	47%	0.467	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	135.5	176.1	-63.7	-179.9	171.5	0	0	110.9	H346 R551	E344-H346 PolarHBondContact O-N 2.61Å; E344-H346 PolarHBondContact O-ND1 3.12Å; E344-R551 HydrophobicContact CG-CB 4.38Å; E344-R551 HydrophobicContact CG-CG 4.03Å
345	V	95	Very high	97.6	Very high	91 Å²	91	29.8 Å²	29.8	55%	0.552	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	-42.1	179.3	-172.7	0	0	0	0	115.3	S343 G347	S343-V345 PolarHBondContact O-N 3.04Å; V345-G347 VanDerWaalsContact C-N 3.34Å
346	H	96.1	Very high	97.6	Very high	66 Å²	66	32.3 Å²	32.3	31%	0.306	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.7	179.9	-60.4	80.4	0	0	0	112.7	S73 S343 E344 R348 G349 D351	S73-H346 WeakPolarHBondContact CB-O 3.14Å; S73-H346 PolarHBondContact N-O 2.86Å; S73-H346 PolarHBondContact OG-O 3.19Å; S73-H346 VanDerWaalsContact OG-O 3.04Å; S343-H346 WeakPolarHBondContact OG-CB 3.33Å; E344-H346 PolarHBondContact O-N 2.61Å; E344-H346 PolarHBondContact O-ND1 3.12Å; H346-R348 PolarHBondContact O-N 3.17Å; H346-G349 PolarHBondContact O-N 3.27Å; H346-D351 IonicContact CE1-OD2 2.7Å; H346-D351 IonicContact NE2-OD2 3.32Å
347	G	97.4	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	59.9	-118.2	-168	0	0	0	0	0	109.4	D342 S343 V345 G349	D342-G347 WeakPolarHBondContact CA-O 3.21Å; S343-G347 PolarHBondContact N-O 3.28Å; S343-G347 PolarHBondContact O-N 3.46Å; S343-G347 VanDerWaalsContact O-N 3.15Å; V345-G347 VanDerWaalsContact C-N 3.34Å; G347-G349 VanDerWaalsContact C-N 3.32Å
348	R	97.3	Very high	97.6	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.023	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.7	172.8	-60.4	-176.2	177	-133	-26.4	115.4	S73 H136 F194 Y197 E341 H346 Y350 Y375	S73-R348 PolarHBondContact OG-N 3.1Å; H136-R348 PolarHBondContact CE1-NH1 2.74Å; H136-R348 PolarHBondContact NE2-NH1 3.44Å; H136-R348 VanDerWaalsContact NE2-NH1 3.18Å; F194-R348 VanDerWaalsContact CG-NH2 3.26Å; Y197-R348 HydrophobicContact CD2-CG 3.88Å; Y197-R348 HydrophobicContact CG-CG 4.16Å; E341-R348 VanDerWaalsContact O-CA 3.31Å; E341-R348 WeakPolarHBondContact O-CA 3.47Å; E341-R348 VanDerWaalsContact O-CG 3.31Å; E341-R348 WeakPolarHBondContact O-CG 3.4Å; H346-R348 PolarHBondContact O-N 3.17Å; R348-Y350 PolarHBondContact O-N 3.06Å; R348-Y375 VanDerWaalsContact CZ-CZ 3.4Å; R348-Y375 VanDerWaalsContact NH1-CD1 3.29Å; R348-Y375 PolarHBondContact NH2-OH 3.39Å
349	G	98	Very high	97.6	Very high	7 Å²	7	37.1 Å²	37.1	7%	0.072	20%	0.198	C	C	.	.			trans	-60.3	128.8	179	0	0	0	0	0	111.3	H201 H346 G347 D351	H201-G349 CarbonylContact O-C 3.57Å; H201-G349 WeakPolarHBondContact O-CA 3.27Å; H346-G349 PolarHBondContact O-N 3.27Å; G347-G349 VanDerWaalsContact C-N 3.32Å; G349-D351 PolarHBondContact O-N 2.97Å
350	Y	97.9	Very high	97.6	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.141	22%	0.217	C	C	.	.			trans	-63.5	127.7	172.4	170.5	-107.2	0	0	0	110.5	P71 H201 R348 M355 S378 E380	P71-Y350 WeakPolarHBondContact CG-O 3.48Å; H201-Y350 PolarHBondContact O-N 3.31Å; R348-Y350 PolarHBondContact O-N 3.06Å; Y350-M355 HydrophobicContact CE2-CB 4.45Å; Y350-M355 HydrophobicContact CE2-SD 3.9Å; Y350-S378 WeakPolarHBondContact CD2-OG 3.36Å; Y350-E380 HydrophobicContact CE1-CG 4.39Å; Y350-E380 HydrophobicContact CE2-CB 3.84Å; Y350-E380 HydrophobicContact CE2-CG 4.34Å; Y350-E380 WeakPolarHBondContact OH-CB 3.48Å; Y350-E380 WeakPolarHBondContact OH-CG 2.99Å
351	D	97.6	Very high	97.6	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.193	22%	0.218	C	C	.	.			trans	-135.1	119.9	172.2	-178.7	-20.4	0	0	0	108.7	H346 G349 V353 I354 M355	H346-D351 IonicContact CE1-OD2 2.7Å; H346-D351 IonicContact NE2-OD2 3.32Å; G349-D351 PolarHBondContact O-N 2.97Å; D351-V353 PolarHBondContact O-N 2.78Å; D351-V353 WeakPolarHBondContact OD1-CA 3.47Å; D351-V353 VanDerWaalsContact OD1-CB 3.26Å; D351-V353 WeakPolarHBondContact OD1-CB 3.38Å; D351-V353 PolarHBondContact OD1-N 3.09Å; D351-I354 HydrophobicContact CB-CB 4.17Å; D351-I354 HydrophobicContact CB-CD1 3.78Å; D351-I354 HydrophobicContact CB-CG1 4.11Å; D351-I354 PolarHBondContact O-N 3.03Å; D351-M355 PolarHBondContact O-N 3.21Å
352	P	97.4	Very high	97.7	Very high	66 Å²	66	39.4 Å²	39.4	43%	0.429	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-29.1	179.1	26.1	-34.6	0	0	0	113.1	V356	P352-V356 WeakPolarHBondContact O-CB 3.4Å; P352-V356 VanDerWaalsContact O-CG2 3.24Å; P352-V356 WeakPolarHBondContact O-CG2 3.11Å; P352-V356 PolarHBondContact O-N 2.86Å
353	V	98	Very high	97.6	Very high	105 Å²	105	41.5 Å²	41.5	64%	0.636	22%	0.222	S	C	*	.	H	α-helix	trans	-67.2	-44.4	177.4	-179	0	0	0	0	110.3	D351 K357	D351-V353 PolarHBondContact O-N 2.78Å; D351-V353 WeakPolarHBondContact OD1-CA 3.47Å; D351-V353 VanDerWaalsContact OD1-CB 3.26Å; D351-V353 WeakPolarHBondContact OD1-CB 3.38Å; D351-V353 PolarHBondContact OD1-N 3.09Å; V353-K357 VanDerWaalsContact O-CB 3.29Å; V353-K357 WeakPolarHBondContact O-CB 3.48Å; V353-K357 PolarHBondContact O-N 3.27Å
354	I	97.7	Very high	97.7	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.205	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-44.6	176.6	-65.9	164	0	0	0	110.2	S343 D351 V356 K357 D358	S343-I354 VanDerWaalsContact CB-CD1 3.41Å; S343-I354 VanDerWaalsContact OG-CD1 3.28Å; S343-I354 WeakPolarHBondContact OG-CD1 3.35Å; D351-I354 HydrophobicContact CB-CB 4.17Å; D351-I354 HydrophobicContact CB-CD1 3.78Å; D351-I354 HydrophobicContact CB-CG1 4.11Å; D351-I354 PolarHBondContact O-N 3.03Å; I354-V356 PolarHBondContact O-N 3.48Å; I354-K357 WeakPolarHBondContact O-CB 3.15Å; I354-K357 PolarHBondContact O-N 2.89Å; I354-D358 WeakPolarHBondContact O-CB 3.26Å; I354-D358 PolarHBondContact O-N 2.89Å
355	M	98.2	Very high	97.8	Very high	18 Å²	18	40.1 Å²	40.1	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-49	176.4	-177.4	-168.6	69.6	0	0	111.9	Y350 D351 K357 D358 M359 E380 M381 E384	Y350-M355 HydrophobicContact CE2-CB 4.45Å; Y350-M355 HydrophobicContact CE2-SD 3.9Å; D351-M355 PolarHBondContact O-N 3.21Å; M355-K357 VanDerWaalsContact C-N 3.34Å; M355-K357 PolarHBondContact O-N 3.2Å; M355-D358 PolarHBondContact O-N 3.1Å; M355-M359 WeakPolarHBondContact O-CG 3.47Å; M355-M359 PolarHBondContact O-N 3.11Å; M355-E380 HydrophobicContact SD-CB 3.99Å; M355-M381 HydrophobicContact CG-SD 3.68Å; M355-M381 HydrophobicContact SD-CB 4.33Å; M355-E384 HydrophobicContact CE-CB 4.28Å; M355-E384 HydrophobicContact CE-CG 4.41Å; M355-E384 HydrophobicContact SD-CB 4.31Å
356	V	98.5	Very high	97.9	Very high	55 Å²	55	35.8 Å²	35.8	33%	0.333	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-39.4	178.7	169.1	0	0	0	0	111	P352 I354 N360	P352-V356 WeakPolarHBondContact O-CB 3.4Å; P352-V356 VanDerWaalsContact O-CG2 3.24Å; P352-V356 WeakPolarHBondContact O-CG2 3.11Å; P352-V356 PolarHBondContact O-N 2.86Å; I354-V356 PolarHBondContact O-N 3.48Å; V356-N360 WeakPolarHBondContact O-CB 3.27Å; V356-N360 PolarHBondContact O-N 2.7Å; V356-N360 PolarHBondContact O-ND2 3.39Å; V356-N360 VanDerWaalsContact O-ND2 3.16Å
357	K	98.5	Very high	98	Very high	90 Å²	90	32.7 Å²	32.7	39%	0.391	17%	0.171	S	C	.	.	H	α-helix	trans	-60.5	-46.1	174.2	175.5	58.6	179	172.5	0	111	V353 I354 M355 N360 V361 R553	V353-K357 VanDerWaalsContact O-CB 3.29Å; V353-K357 WeakPolarHBondContact O-CB 3.48Å; V353-K357 PolarHBondContact O-N 3.27Å; I354-K357 WeakPolarHBondContact O-CB 3.15Å; I354-K357 PolarHBondContact O-N 2.89Å; M355-K357 VanDerWaalsContact C-N 3.34Å; M355-K357 PolarHBondContact O-N 3.2Å; K357-N360 PolarHBondContact O-N 2.95Å; K357-V361 HydrophobicContact CD-CG2 3.95Å; K357-V361 VanDerWaalsContact O-CG2 3.25Å; K357-V361 WeakPolarHBondContact O-CG2 3.42Å; K357-V361 PolarHBondContact O-N 2.82Å; K357-R553 HydrophobicContact CG-CB 4.05Å; K357-R553 HydrophobicContact CG-CG 4.15Å
358	D	98.6	Very high	98.1	Very high	10 Å²	10	33 Å²	33	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-46.2	-179.5	-75.9	1.4	0	0	0	111.2	M339 I354 M355 N360 V361 L362 F529 R553	M339-D358 HydrophobicContact CE-CB 3.99Å; I354-D358 WeakPolarHBondContact O-CB 3.26Å; I354-D358 PolarHBondContact O-N 2.89Å; M355-D358 PolarHBondContact O-N 3.1Å; D358-N360 PolarHBondContact O-N 2.9Å; D358-V361 PolarHBondContact O-N 2.99Å; D358-V361 VanDerWaalsContact O-N 3.14Å; D358-L362 PolarHBondContact O-N 2.88Å; D358-F529 HydrophobicContact CB-CE1 4.02Å; D358-F529 HydrophobicContact CB-CZ 4.1Å; D358-F529 WeakPolarHBondContact OD1-CE1 3.19Å; D358-R553 WeakPolarHBondContact OD1-CG 3.3Å; D358-R553 IonicContact OD1-CZ 3.57Å; D358-R553 IonicContact OD1-NE 3.79Å; D358-R553 PolarHBondContact OD1-NE 2.84Å; D358-R553 IonicContact OD1-NH2 3.55Å; D358-R553 IonicContact OD2-CZ 3.96Å; D358-R553 IonicContact OD2-NE 2.7Å; D358-R553 IonicContact OD2-NH2 3.49Å; D358-R553 PolarHBondContact OD2-NH2 2.92Å
359	M	98.4	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-42	176.8	-68.4	-63.7	-159.3	0	0	113.3	M355 V361 L362 E363 F370 M381 E384 A385 R388	M355-M359 WeakPolarHBondContact O-CG 3.47Å; M355-M359 PolarHBondContact O-N 3.11Å; M359-V361 PolarHBondContact O-N 3.48Å; M359-L362 WeakPolarHBondContact O-CB 3.33Å; M359-L362 PolarHBondContact O-N 2.85Å; M359-L362 HydrophobicContact SD-CD1 3.92Å; M359-E363 PolarHBondContact O-N 3.31Å; M359-F370 HydrophobicContact CE-CE1 4.14Å; M359-F370 HydrophobicContact CE-CZ 4.42Å; M359-M381 HydrophobicContact CE-CE 3.42Å; M359-M381 VanDerWaalsContact CE-CE 3.42Å; M359-M381 HydrophobicContact CE-CG 4.06Å; M359-M381 VanDerWaalsContact CE-O 3.27Å; M359-M381 WeakPolarHBondContact CE-O 2.99Å; M359-M381 HydrophobicContact CE-SD 3.41Å; M359-M381 WeakPolarHBondContact CE-SD 3.3Å; M359-M381 HydrophobicContact CG-SD 4.5Å; M359-M381 HydrophobicContact SD-CE 3.8Å; M359-M381 HydrophobicContact SD-SD 4.32Å; M359-E384 HydrophobicContact CB-CG 4.43Å; M359-E384 HydrophobicContact CE-CB 3.83Å; M359-E384 HydrophobicContact CE-CG 4Å; M359-E384 HydrophobicContact CG-CG 3.74Å; M359-A385 HydrophobicContact CE-CB 3.97Å; M359-R388 VanDerWaalsContact CB-CZ 3.5Å
360	N	98.6	Very high	98.2	Very high	76 Å²	76	32.4 Å²	32.4	41%	0.406	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-33.2	174.9	-71.1	-25.3	0	0	0	111.9	V356 K357 D358 W364 R388	V356-N360 WeakPolarHBondContact O-CB 3.27Å; V356-N360 PolarHBondContact O-N 2.7Å; V356-N360 PolarHBondContact O-ND2 3.39Å; V356-N360 VanDerWaalsContact O-ND2 3.16Å; K357-N360 PolarHBondContact O-N 2.95Å; D358-N360 PolarHBondContact O-N 2.9Å; N360-W364 WeakPolarHBondContact O-CB 3.43Å; N360-W364 PolarHBondContact O-N 2.74Å; N360-R388 PolarHBondContact OD1-NH1 2.9Å; N360-R388 PolarHBondContact OD1-NH2 3.17Å
361	V	98.6	Very high	98.2	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.055	16%	0.161	C	C	.	.	H	α-helix	trans	-77.1	-35.7	177.6	175	0	0	0	0	111.4	K357 D358 M359 E363 W364 F365 F529 L549	K357-V361 HydrophobicContact CD-CG2 3.95Å; K357-V361 VanDerWaalsContact O-CG2 3.25Å; K357-V361 WeakPolarHBondContact O-CG2 3.42Å; K357-V361 PolarHBondContact O-N 2.82Å; D358-V361 PolarHBondContact O-N 2.99Å; D358-V361 VanDerWaalsContact O-N 3.14Å; M359-V361 PolarHBondContact O-N 3.48Å; V361-E363 VanDerWaalsContact C-N 3.33Å; V361-E363 PolarHBondContact O-N 3.28Å; V361-W364 HydrophobicContact CG1-CE3 4.49Å; V361-W364 WeakPolarHBondContact O-CB 3.22Å; V361-W364 PolarHBondContact O-N 3.31Å; V361-W364 VanDerWaalsContact O-N 3.17Å; V361-F365 HydrophobicContact CG1-CD2 3.77Å; V361-F365 HydrophobicContact CG1-CE2 3.52Å; V361-F365 WeakPolarHBondContact O-CD2 3.47Å; V361-F365 PolarHBondContact O-N 2.83Å; V361-F529 HydrophobicContact CB-CE2 4.18Å; V361-F529 HydrophobicContact CB-CZ 3.86Å; V361-F529 HydrophobicContact CG1-CE2 3.8Å; V361-F529 HydrophobicContact CG1-CZ 3.78Å; V361-L549 HydrophobicContact CG1-CD1 3.62Å; V361-L549 HydrophobicContact CG1-CD2 4.24Å
362	L	98.4	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.5	-48.8	168.7	-75.7	172.2	0	0	0	111	F337 M339 D358 M359 W364 F365 G366 A367 F370 F529	F337-L362 HydrophobicContact CD2-CD2 3.55Å; F337-L362 HydrophobicContact CE2-CD2 4.04Å; M339-L362 HydrophobicContact CE-CD1 4.47Å; M339-L362 HydrophobicContact SD-CD1 3.99Å; M339-L362 HydrophobicContact SD-CD2 4.36Å; D358-L362 PolarHBondContact O-N 2.88Å; M359-L362 WeakPolarHBondContact O-CB 3.33Å; M359-L362 PolarHBondContact O-N 2.85Å; M359-L362 HydrophobicContact SD-CD1 3.92Å; L362-W364 VanDerWaalsContact C-N 3.34Å; L362-W364 PolarHBondContact O-N 2.82Å; L362-F365 WeakPolarHBondContact O-CB 3.43Å; L362-F365 PolarHBondContact O-N 2.93Å; L362-G366 PolarHBondContact O-N 2.93Å; L362-G366 VanDerWaalsContact O-N 3.15Å; L362-A367 HydrophobicContact CB-CB 4.33Å; L362-A367 HydrophobicContact CD2-CB 3.82Å; L362-A367 WeakPolarHBondContact O-CB 3.34Å; L362-A367 PolarHBondContact O-N 2.61Å; L362-F370 HydrophobicContact CD1-CD1 3.97Å; L362-F529 HydrophobicContact CD2-CD2 3.99Å; L362-F529 HydrophobicContact CD2-CE2 3.99Å; L362-F529 HydrophobicContact CG-CD2 4.48Å; L362-F529 HydrophobicContact CG-CE2 4.03Å
363	E	97.6	Very high	98.1	Very high	54 Å²	54	25.9 Å²	25.9	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-39.3	174.7	-70.8	172.2	-164.2	0	0	112.2	Y282 M359 V361 F365 G366 R388	Y282-E363 HydrophobicContact CE2-CG 4.13Å; M359-E363 PolarHBondContact O-N 3.31Å; V361-E363 VanDerWaalsContact C-N 3.33Å; V361-E363 PolarHBondContact O-N 3.28Å; E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 2.71Å; E363-G366 PolarHBondContact O-N 3.09Å; E363-R388 VanDerWaalsContact CD-NH1 3.28Å; E363-R388 WeakPolarHBondContact OE1-CD 3.21Å; E363-R388 WeakPolarHBondContact OE1-CG 3.3Å; E363-R388 IonicContact OE1-CZ 3.59Å; E363-R388 IonicContact OE1-NE 3.55Å; E363-R388 IonicContact OE1-NH1 3.68Å; E363-R388 PolarHBondContact OE1-NH1 3.36Å; E363-R388 IonicContact OE2-NH1 3.92Å; E363-R388 PolarHBondContact OE2-NH1 2.78Å
364	W	98.2	Very high	97.9	Very high	77 Å²	77	22.9 Å²	22.9	29%	0.292	11%	0.111	S	C	.	.	H	α-helix	trans	-60.4	-39.2	175.6	175.9	88.2	0	0	0	112.5	N360 V361 L362 G366 P555 A559 Y560 R563	N360-W364 WeakPolarHBondContact O-CB 3.43Å; N360-W364 PolarHBondContact O-N 2.74Å; V361-W364 HydrophobicContact CG1-CE3 4.49Å; V361-W364 WeakPolarHBondContact O-CB 3.22Å; V361-W364 PolarHBondContact O-N 3.31Å; V361-W364 VanDerWaalsContact O-N 3.17Å; L362-W364 VanDerWaalsContact C-N 3.34Å; L362-W364 PolarHBondContact O-N 2.82Å; W364-G366 PolarHBondContact O-N 3.36Å; W364-P555 HydrophobicContact CH2-CB 4.37Å; W364-A559 HydrophobicContact CH2-CB 4.43Å; W364-A559 HydrophobicContact CZ3-CB 4.28Å; W364-Y560 HydrophobicContact CH2-CD1 4.1Å; W364-Y560 HydrophobicContact CH2-CE1 4.03Å; W364-Y560 HydrophobicContact CZ2-CD1 4.17Å; W364-Y560 AromaticContact CZ2-CE1 3.86Å; W364-Y560 HydrophobicContact CZ2-CE1 3.86Å; W364-R563 VanDerWaalsContact CE2-CD 3.48Å; W364-R563 VanDerWaalsContact CE2-NH1 3.31Å; W364-R563 HydrophobicContact CH2-CB 4.46Å; W364-R563 VanDerWaalsContact CZ2-CD 3.5Å; W364-R563 HydrophobicContact CZ3-CB 4.27Å; W364-R563 VanDerWaalsContact O-CD 3.31Å; W364-R563 WeakPolarHBondContact O-CD 3.21Å; W364-R563 WeakPolarHBondContact O-CG 3.37Å; W364-R563 PolarHBondContact O-NE 2.84Å
365	F	98.5	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-27.2	171.6	-81.3	-67.2	0	0	0	112.4	F337 V361 L362 E363 A367 F529 V548 L549 A559 I562 R563 Y566	F337-F365 HydrophobicContact CE2-CB 4.2Å; F337-F365 AromaticContact CE2-CD2 3.75Å; F337-F365 HydrophobicContact CE2-CD2 3.75Å; F337-F365 HydrophobicContact CE2-CE2 4.25Å; F337-F365 AromaticContact CE2-CG 3.97Å; F337-F365 HydrophobicContact CE2-CG 3.97Å; F337-F365 HydrophobicContact CZ-CB 4.4Å; F337-F365 HydrophobicContact CZ-CD1 4.02Å; F337-F365 AromaticContact CZ-CD2 3.7Å; F337-F365 HydrophobicContact CZ-CD2 3.7Å; F337-F365 HydrophobicContact CZ-CE1 4.15Å; F337-F365 AromaticContact CZ-CE2 3.87Å; F337-F365 HydrophobicContact CZ-CE2 3.87Å; F337-F365 AromaticContact CZ-CG 3.8Å; F337-F365 HydrophobicContact CZ-CG 3.8Å; F337-F365 HydrophobicContact CZ-CZ 4.1Å; V361-F365 HydrophobicContact CG1-CD2 3.77Å; V361-F365 HydrophobicContact CG1-CE2 3.52Å; V361-F365 WeakPolarHBondContact O-CD2 3.47Å; V361-F365 PolarHBondContact O-N 2.83Å; L362-F365 WeakPolarHBondContact O-CB 3.43Å; L362-F365 PolarHBondContact O-N 2.93Å; E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 2.71Å; F365-A367 HydrophobicContact CB-CB 4.3Å; F365-F529 HydrophobicContact CD2-CE2 4.32Å; F365-F529 HydrophobicContact CE2-CD2 4.39Å; F365-F529 HydrophobicContact CE2-CE2 4.13Å; F365-V548 HydrophobicContact CE1-CG2 4.23Å; F365-V548 HydrophobicContact CE2-CG2 4.28Å; F365-V548 HydrophobicContact CZ-CG2 3.61Å; F365-L549 HydrophobicContact CE2-CD1 4.22Å; F365-L549 HydrophobicContact CE2-CD2 4Å; F365-L549 HydrophobicContact CE2-CG 4.17Å; F365-L549 HydrophobicContact CZ-CD2 3.79Å; F365-L549 HydrophobicContact CZ-CG 4.21Å; F365-A559 HydrophobicContact CE1-CB 3.71Å; F365-A559 VanDerWaalsContact CE1-O 3.24Å; F365-A559 WeakPolarHBondContact CE1-O 3.24Å; F365-A559 HydrophobicContact CZ-CB 3.77Å; F365-I562 HydrophobicContact CD1-CB 4.24Å; F365-I562 HydrophobicContact CD1-CG2 4.03Å; F365-I562 HydrophobicContact CE1-CB 4.16Å; F365-I562 HydrophobicContact CE1-CG2 4.29Å; F365-R563 HydrophobicContact CD1-CB 3.97Å; F365-R563 WeakPolarHBondContact O-CA 3.3Å; F365-Y566 HydrophobicContact CB-CD2 4.45Å; F365-Y566 VanDerWaalsContact O-CB 3.22Å; F365-Y566 WeakPolarHBondContact O-CB 3.33Å
366	G	97.4	Very high	97.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	23.3	-162.9	0	0	0	0	0	112.4	L362 E363 W364 L570	L362-G366 PolarHBondContact O-N 2.93Å; L362-G366 VanDerWaalsContact O-N 3.15Å; E363-G366 PolarHBondContact O-N 3.09Å; W364-G366 PolarHBondContact O-N 3.36Å; G366-L570 WeakPolarHBondContact O-CD1 3.14Å; G366-L570 WeakPolarHBondContact O-CG 3.26Å
367	A	98.3	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.			trans	-74.6	135.6	175	0	0	0	0	0	110.2	A335 F337 L362 F365 Y566	A335-A367 CarbonylContact O-C 3.53Å; A335-A367 VanDerWaalsContact O-CA 3.25Å; A335-A367 WeakPolarHBondContact O-CA 3.23Å; F337-A367 HydrophobicContact CD2-CB 4.14Å; F337-A367 HydrophobicContact CE2-CB 3.85Å; L362-A367 HydrophobicContact CB-CB 4.33Å; L362-A367 HydrophobicContact CD2-CB 3.82Å; L362-A367 WeakPolarHBondContact O-CB 3.34Å; L362-A367 PolarHBondContact O-N 2.61Å; F365-A367 HydrophobicContact CB-CB 4.3Å; A367-Y566 HydrophobicContact CB-CD2 4.02Å; A367-Y566 HydrophobicContact CB-CE2 4.28Å
368	N	97.8	Very high	97.4	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.043	7%	0.069	C	C	.	.			trans	-105.9	-2.9	178.7	67.7	10.6	0	0	0	112.9	F332 Y333 A335 V391 L570	F332-N368 HydrophobicContact CE2-CB 4.32Å; F332-N368 VanDerWaalsContact CE2-ND2 3.33Å; F332-N368 WeakPolarHBondContact CE2-ND2 3.37Å; F332-N368 HydrophobicContact CZ-CB 4.36Å; Y333-N368 PolarHBondContact O-ND2 2.92Å; A335-N368 PolarHBondContact N-OD1 2.96Å; A335-N368 PolarHBondContact O-N 2.87Å; A335-N368 PolarHBondContact O-OD1 2.92Å; N368-V391 PolarHBondContact O-N 3.49Å; N368-L570 HydrophobicContact CB-CD2 4.41Å
369	S	98.7	Very high	97.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	160.2	-174.8	54.9	0	0	0	0	114.4	G336 F337 V391	G336-S369 WeakPolarHBondContact CA-O 3.29Å; F337-S369 PolarHBondContact N-O 3.07Å; S369-V391 CarbonylContact C-O 3.6Å; S369-V391 WeakPolarHBondContact CA-O 3.46Å; S369-V391 VanDerWaalsContact CB-O 3.23Å; S369-V391 WeakPolarHBondContact CB-O 3.45Å
370	F	98.8	Very high	97.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	160.3	166.4	67.5	-87.1	0	0	0	112	F337 M339 M359 L362 T372 Y377 M381 A385 I390 V391 V392 I393	F337-F370 CarbonylContact O-C 3.53Å; F337-F370 VanDerWaalsContact O-CA 3.23Å; F337-F370 WeakPolarHBondContact O-CA 3.37Å; F337-F370 WeakPolarHBondContact O-CB 3.42Å; M339-F370 HydrophobicContact CG-CB 4Å; M339-F370 HydrophobicContact SD-CB 3.58Å; M339-F370 VanDerWaalsContact SD-CB 3.58Å; M339-F370 HydrophobicContact SD-CD1 4.29Å; M339-F370 HydrophobicContact SD-CD2 3.83Å; M339-F370 HydrophobicContact SD-CG 3.65Å; M359-F370 HydrophobicContact CE-CE1 4.14Å; M359-F370 HydrophobicContact CE-CZ 4.42Å; L362-F370 HydrophobicContact CD1-CD1 3.97Å; F370-T372 HydrophobicContact CD2-CG2 4.43Å; F370-T372 HydrophobicContact CE2-CG2 3.87Å; F370-Y377 HydrophobicContact CD2-CE2 4.43Å; F370-Y377 HydrophobicContact CE2-CD2 4.1Å; F370-Y377 HydrophobicContact CE2-CE2 4.26Å; F370-M381 HydrophobicContact CD1-CE 4.4Å; F370-M381 HydrophobicContact CD2-CE 4.44Å; F370-M381 HydrophobicContact CE1-CE 3.8Å; F370-M381 HydrophobicContact CE2-CE 3.84Å; F370-M381 HydrophobicContact CE2-CG 4.31Å; F370-M381 HydrophobicContact CZ-CE 3.49Å; F370-M381 VanDerWaalsContact CZ-CE 3.49Å; F370-M381 HydrophobicContact CZ-CG 3.91Å; F370-A385 HydrophobicContact CE1-CB 4.11Å; F370-A385 HydrophobicContact CZ-CB 4.38Å; F370-I390 HydrophobicContact CD1-CG2 3.53Å; F370-I390 HydrophobicContact CE1-CG2 3.74Å; F370-V391 PolarHBondContact N-O 3.19Å; F370-V392 HydrophobicContact CD1-CG2 4.32Å; F370-V392 HydrophobicContact CD2-CG1 4.32Å; F370-V392 HydrophobicContact CE1-CG2 3.56Å; F370-V392 HydrophobicContact CE2-CG1 3.78Å; F370-V392 HydrophobicContact CE2-CG2 4.18Å; F370-V392 HydrophobicContact CZ-CB 4.32Å; F370-V392 HydrophobicContact CZ-CG1 3.92Å; F370-V392 HydrophobicContact CZ-CG2 3.46Å; F370-V392 VanDerWaalsContact CZ-CG2 3.46Å; F370-V392 WeakPolarHBondContact O-CA 3.23Å; F370-I393 PolarHBondContact O-N 2.85Å
371	R	98.6	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.7	172.1	-174.1	-174.7	76.8	-179.4	-1.4	110.1	F337 M339 S373 H374 I393 E395 V420 N442 T479 E480 M525	F337-R371 PolarHBondContact O-N 3.13Å; M339-R371 PolarHBondContact N-O 2.8Å; R371-S373 PolarHBondContact NE-OG 2.89Å; R371-S373 PolarHBondContact NH2-OG 2.97Å; R371-S373 PolarHBondContact O-N 2.83Å; R371-S373 PolarHBondContact O-OG 3.01Å; R371-H374 PolarHBondContact NH2-CE1 2.91Å; R371-H374 VanDerWaalsContact NH2-CE1 3.32Å; R371-I393 WeakPolarHBondContact CA-O 3.16Å; R371-I393 HydrophobicContact CB-CB 4.11Å; R371-I393 HydrophobicContact CG-CB 3.99Å; R371-I393 HydrophobicContact CG-CG2 3.98Å; R371-E395 WeakPolarHBondContact CD-OE2 3.33Å; R371-E395 IonicContact CZ-OE2 2.67Å; R371-E395 IonicContact NE-OE2 3.58Å; R371-E395 PolarHBondContact NE-OE2 3.33Å; R371-V420 VanDerWaalsContact NH1-CG2 3.28Å; R371-N442 PolarHBondContact NH1-OD1 3.35Å; R371-T479 PolarHBondContact NH1-OG1 2.96Å; R371-T479 VanDerWaalsContact NH1-OG1 3.1Å; R371-E480 IonicContact CZ-OE1 3.93Å; R371-E480 IonicContact NH1-OE1 2.65Å; R371-E480 IonicContact NH2-OE1 3.53Å; R371-E480 PolarHBondContact NH2-OE1 3.2Å; R371-M525 HydrophobicContact CB-SD 3.8Å
372	T	98	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.			trans	-74.1	65.2	179.4	62.8	0	0	0	0	111.3	F370 H374 Y375 Y377 V392 I393 E395	F370-T372 HydrophobicContact CD2-CG2 4.43Å; F370-T372 HydrophobicContact CE2-CG2 3.87Å; T372-H374 PolarHBondContact O-N 2.89Å; T372-Y375 WeakPolarHBondContact CB-O 3.41Å; T372-Y375 CarbonylContact O-C 3.47Å; T372-Y375 PolarHBondContact O-N 2.84Å; T372-Y375 PolarHBondContact OG1-O 2.87Å; T372-Y377 VanDerWaalsContact CA-CZ 3.48Å; T372-Y377 HydrophobicContact CG2-CD1 4.16Å; T372-Y377 HydrophobicContact CG2-CD2 3.89Å; T372-Y377 HydrophobicContact CG2-CE2 4.3Å; T372-Y377 HydrophobicContact CG2-CG 3.79Å; T372-V392 HydrophobicContact CG2-CG1 3.66Å; T372-I393 PolarHBondContact N-O 3.32Å; T372-I393 PolarHBondContact OG1-O 3.19Å; T372-E395 PolarHBondContact OG1-N 3.36Å
373	S	94.9	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	126.5	-172.7	-41.3	0	0	0	0	109	M339 H340 R371 Y377	M339-S373 VanDerWaalsContact O-CB 3.29Å; M339-S373 WeakPolarHBondContact O-CB 3.13Å; M339-S373 VanDerWaalsContact O-O 3.08Å; H340-S373 PolarHBondContact CE1-O 3.49Å; H340-S373 PolarHBondContact ND1-O 2.85Å; R371-S373 PolarHBondContact NE-OG 2.89Å; R371-S373 PolarHBondContact NH2-OG 2.97Å; R371-S373 PolarHBondContact O-N 2.83Å; R371-S373 PolarHBondContact O-OG 3.01Å; S373-Y377 PolarHBondContact N-OH 2.98Å; S373-Y377 VanDerWaalsContact N-OH 3.09Å; S373-Y377 WeakPolarHBondContact O-CE1 3.27Å; S373-Y377 PolarHBondContact O-OH 2.89Å
374	H	92.9	Very high	97.3	Very high	43 Å²	43	15.9 Å²	15.9	20%	0.199	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	cis	-120.2	49.9	-8	-66.9	-72.9	0	0	0	109.7	F194 H340 R371 T372 E395 P397 E480 W527	F194-H374 AromaticContact CD1-CD2 3.9Å; F194-H374 HydrophobicContact CE1-CB 3.87Å; F194-H374 AromaticContact CE1-CD2 3.85Å; H340-H374 AromaticContact CE1-CD2 3.96Å; R371-H374 PolarHBondContact NH2-CE1 2.91Å; R371-H374 VanDerWaalsContact NH2-CE1 3.32Å; T372-H374 PolarHBondContact O-N 2.89Å; H374-E395 VanDerWaalsContact CA-OE1 3.28Å; H374-E395 WeakPolarHBondContact CA-OE1 3.44Å; H374-E395 WeakPolarHBondContact CB-OE1 3.24Å; H374-E395 IonicContact CE1-OE1 2.63Å; H374-E395 IonicContact CG-OE1 3.57Å; H374-E395 IonicContact ND1-OE1 3.62Å; H374-E395 PolarHBondContact ND1-OE1 2.63Å; H374-P397 VanDerWaalsContact O-CA 3.27Å; H374-P397 WeakPolarHBondContact O-CA 3.06Å; H374-E480 IonicContact CE1-OE1 2.87Å; H374-E480 PolarHBondContact CE1-OE1 3.01Å; H374-E480 IonicContact NE2-OE1 2.98Å; H374-W527 AromaticContact NE2-CH2 3.51Å
375	Y	94.3	Very high	97.3	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.008	6%	0.06	C	C	.	.	S	Bend	trans	-170.8	156.3	-170.7	39.5	-90.5	0	0	0	109.8	H136 F194 H340 E341 R348 T372 Y377 E395	H136-Y375 VanDerWaalsContact CD2-CB 3.47Å; H136-Y375 WeakPolarHBondContact CD2-CB 3.45Å; H136-Y375 AromaticContact CD2-CG 3.87Å; H136-Y375 AromaticContact CE1-CD2 3.56Å; H136-Y375 AromaticContact CE1-CE2 3.95Å; H136-Y375 AromaticContact CE1-CG 3.66Å; H136-Y375 AromaticContact CG-CD2 3.88Å; H136-Y375 AromaticContact CG-CG 3.86Å; H136-Y375 AromaticContact ND1-CD2 3.37Å; H136-Y375 WeakPolarHBondContact ND1-CD2 3.36Å; H136-Y375 AromaticContact ND1-CG 3.72Å; H136-Y375 AromaticContact NE2-CG 3.74Å; F194-Y375 HydrophobicContact CZ-CD1 4.37Å; F194-Y375 HydrophobicContact CZ-CE1 4.41Å; H340-Y375 AromaticContact CE1-CE1 3.99Å; H340-Y375 AromaticContact ND1-CE1 3.71Å; H340-Y375 AromaticContact ND1-CZ 3.67Å; H340-Y375 PolarHBondContact ND1-OH 2.58Å; E341-Y375 HydrophobicContact CB-CE2 4.05Å; E341-Y375 HydrophobicContact CG-CE2 4.26Å; E341-Y375 PolarHBondContact N-OH 2.88Å; R348-Y375 VanDerWaalsContact CZ-CZ 3.4Å; R348-Y375 VanDerWaalsContact NH1-CD1 3.29Å; R348-Y375 PolarHBondContact NH2-OH 3.39Å; T372-Y375 WeakPolarHBondContact CB-O 3.41Å; T372-Y375 CarbonylContact O-C 3.47Å; T372-Y375 PolarHBondContact O-N 2.84Å; T372-Y375 PolarHBondContact OG1-O 2.87Å; Y375-Y377 AromaticContact CD2-CD1 3.9Å; Y375-Y377 HydrophobicContact CD2-CD1 3.9Å; Y375-Y377 AromaticContact CD2-CE1 3.91Å; Y375-Y377 HydrophobicContact CD2-CE1 3.91Å; Y375-Y377 AromaticContact CE2-CD1 3.93Å; Y375-Y377 HydrophobicContact CE2-CD1 3.93Å; Y375-Y377 AromaticContact CE2-CE1 3.69Å; Y375-Y377 HydrophobicContact CE2-CE1 3.69Å; Y375-Y377 VanDerWaalsContact O-CD1 3.23Å; Y375-Y377 WeakPolarHBondContact O-CD1 3.29Å; Y375-Y377 PolarHBondContact O-N 2.74Å; Y375-E395 CarbonylContact C-O 3.54Å
376	P	95.4	Very high	97.3	Very high	13 Å²	13	14.8 Å²	14.8	8%	0.084	7%	0.073	C	C	.	.			trans	-58.4	131.6	174.3	-24	34	0	0	0	110.2	L137 R202 E395	L137-P376 HydrophobicContact CD2-CB 4.28Å; L137-P376 HydrophobicContact CD2-CG 4.11Å; R202-P376 PolarHBondContact NH2-O 3.14Å; P376-E395 VanDerWaalsContact CD-O 3.25Å; P376-E395 WeakPolarHBondContact CD-O 3.48Å; P376-E395 VanDerWaalsContact N-O 3.12Å
377	Y	97.2	Very high	97.3	Very high	8 Å²	8	20.7 Å²	20.7	3%	0.031	10%	0.095	C	C	.	.			trans	-82.3	178.1	174.9	-71.7	4.4	0	0	0	111.4	R202 M339 H340 E341 F370 T372 S373 Y375 M381	R202-Y377 PolarHBondContact NH1-O 2.76Å; R202-Y377 PolarHBondContact NH2-O 3.24Å; M339-Y377 HydrophobicContact CB-CE2 3.94Å; M339-Y377 WeakPolarHBondContact CB-OH 3.38Å; M339-Y377 PolarHBondContact O-OH 2.9Å; H340-Y377 WeakPolarHBondContact CA-OH 3.43Å; H340-Y377 PolarHBondContact N-OH 3.15Å; H340-Y377 VanDerWaalsContact N-OH 3.11Å; E341-Y377 HydrophobicContact CG-CD1 3.7Å; E341-Y377 HydrophobicContact CG-CD2 4.14Å; E341-Y377 HydrophobicContact CG-CE1 4.09Å; E341-Y377 HydrophobicContact CG-CE2 4.48Å; E341-Y377 HydrophobicContact CG-CG 3.75Å; F370-Y377 HydrophobicContact CD2-CE2 4.43Å; F370-Y377 HydrophobicContact CE2-CD2 4.1Å; F370-Y377 HydrophobicContact CE2-CE2 4.26Å; T372-Y377 VanDerWaalsContact CA-CZ 3.48Å; T372-Y377 HydrophobicContact CG2-CD1 4.16Å; T372-Y377 HydrophobicContact CG2-CD2 3.89Å; T372-Y377 HydrophobicContact CG2-CE2 4.3Å; T372-Y377 HydrophobicContact CG2-CG 3.79Å; S373-Y377 PolarHBondContact N-OH 2.98Å; S373-Y377 VanDerWaalsContact N-OH 3.09Å; S373-Y377 WeakPolarHBondContact O-CE1 3.27Å; S373-Y377 PolarHBondContact O-OH 2.89Å; Y375-Y377 AromaticContact CD2-CD1 3.9Å; Y375-Y377 HydrophobicContact CD2-CD1 3.9Å; Y375-Y377 AromaticContact CD2-CE1 3.91Å; Y375-Y377 HydrophobicContact CD2-CE1 3.91Å; Y375-Y377 AromaticContact CE2-CD1 3.93Å; Y375-Y377 HydrophobicContact CE2-CD1 3.93Å; Y375-Y377 AromaticContact CE2-CE1 3.69Å; Y375-Y377 HydrophobicContact CE2-CE1 3.69Å; Y375-Y377 VanDerWaalsContact O-CD1 3.23Å; Y375-Y377 WeakPolarHBondContact O-CD1 3.29Å; Y375-Y377 PolarHBondContact O-N 2.74Å; Y377-M381 HydrophobicContact CD2-CG 4.18Å
378	S	97	Very high	97.3	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.014	10%	0.102	C	C	.	.			trans	-54.2	144.9	174.1	75.1	0	0	0	0	111.6	R202 E341 Y350 E380 M381 L382	R202-S378 VanDerWaalsContact CZ-N 3.3Å; E341-S378 PolarHBondContact OE1-N 3.32Å; Y350-S378 WeakPolarHBondContact CD2-OG 3.36Å; S378-E380 WeakPolarHBondContact CB-OE2 3.5Å; S378-E380 PolarHBondContact O-N 3.3Å; S378-M381 WeakPolarHBondContact O-CB 3.45Å; S378-M381 PolarHBondContact O-N 3.04Å; S378-M381 VanDerWaalsContact O-N 3.11Å; S378-M381 PolarHBondContact OG-N 3.07Å; S378-L382 PolarHBondContact O-N 3.3Å
379	E	97.4	Very high	97.3	Very high	38 Å²	38	22 Å²	22	18%	0.178	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-34.1	177.9	-63.9	165.2	99.6	0	0	109.7	Y20 R112 M381 L382 F383	Y20-E379 HydrophobicContact CD2-CB 3.84Å; Y20-E379 HydrophobicContact CD2-CG 4.33Å; Y20-E379 HydrophobicContact CE2-CB 4.08Å; R112-E379 IonicContact CZ-OE2 3.29Å; R112-E379 IonicContact NH2-OE1 3.89Å; R112-E379 PolarHBondContact NH2-OE1 3.34Å; R112-E379 IonicContact NH2-OE2 2.74Å; R112-E379 PolarHBondContact NH2-OE2 3.48Å; E379-M381 PolarHBondContact O-N 3.13Å; E379-L382 WeakPolarHBondContact O-CB 3.43Å; E379-L382 PolarHBondContact O-N 2.89Å; E379-L382 VanDerWaalsContact O-N 3.16Å; E379-F383 HydrophobicContact CB-CE2 4.04Å; E379-F383 HydrophobicContact CB-CZ 4.06Å; E379-F383 WeakPolarHBondContact O-CD2 3.22Å; E379-F383 VanDerWaalsContact O-CG 3.27Å; E379-F383 WeakPolarHBondContact O-CG 3.38Å; E379-F383 PolarHBondContact O-N 3.47Å
380	E	98	Very high	97.3	Very high	22 Å²	22	22.2 Å²	22.2	10%	0.103	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-40.6	175	-62.8	84.8	174.8	0	0	113.2	Y20 Y350 M355 S378 L382 F383 E384	Y20-E380 WeakPolarHBondContact CE2-OE1 3.27Å; Y20-E380 PolarHBondContact OH-OE1 2.82Å; Y350-E380 HydrophobicContact CE1-CG 4.39Å; Y350-E380 HydrophobicContact CE2-CB 3.84Å; Y350-E380 HydrophobicContact CE2-CG 4.34Å; Y350-E380 WeakPolarHBondContact OH-CB 3.48Å; Y350-E380 WeakPolarHBondContact OH-CG 2.99Å; M355-E380 HydrophobicContact SD-CB 3.99Å; S378-E380 WeakPolarHBondContact CB-OE2 3.5Å; S378-E380 PolarHBondContact O-N 3.3Å; E380-L382 VanDerWaalsContact C-N 3.29Å; E380-L382 PolarHBondContact O-N 2.78Å; E380-F383 PolarHBondContact O-N 2.61Å; E380-E384 WeakPolarHBondContact O-CB 3.24Å; E380-E384 PolarHBondContact O-N 3.32Å
381	M	98.1	Very high	97.2	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.054	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-39.9	175.5	-177.4	75.1	178.4	0	0	111	M339 M355 M359 F370 Y377 S378 E379 E384 A385	M339-M381 HydrophobicContact CE-CE 4.14Å; M339-M381 HydrophobicContact SD-CE 4.2Å; M355-M381 HydrophobicContact CG-SD 3.68Å; M355-M381 HydrophobicContact SD-CB 4.33Å; M359-M381 HydrophobicContact CE-CE 3.42Å; M359-M381 VanDerWaalsContact CE-CE 3.42Å; M359-M381 HydrophobicContact CE-CG 4.06Å; M359-M381 VanDerWaalsContact CE-O 3.27Å; M359-M381 WeakPolarHBondContact CE-O 2.99Å; M359-M381 HydrophobicContact CE-SD 3.41Å; M359-M381 WeakPolarHBondContact CE-SD 3.3Å; M359-M381 HydrophobicContact CG-SD 4.5Å; M359-M381 HydrophobicContact SD-CE 3.8Å; M359-M381 HydrophobicContact SD-SD 4.32Å; F370-M381 HydrophobicContact CD1-CE 4.4Å; F370-M381 HydrophobicContact CD2-CE 4.44Å; F370-M381 HydrophobicContact CE1-CE 3.8Å; F370-M381 HydrophobicContact CE2-CE 3.84Å; F370-M381 HydrophobicContact CE2-CG 4.31Å; F370-M381 HydrophobicContact CZ-CE 3.49Å; F370-M381 VanDerWaalsContact CZ-CE 3.49Å; F370-M381 HydrophobicContact CZ-CG 3.91Å; Y377-M381 HydrophobicContact CD2-CG 4.18Å; S378-M381 WeakPolarHBondContact O-CB 3.45Å; S378-M381 PolarHBondContact O-N 3.04Å; S378-M381 VanDerWaalsContact O-N 3.11Å; S378-M381 PolarHBondContact OG-N 3.07Å; E379-M381 PolarHBondContact O-N 3.13Å; M381-E384 PolarHBondContact O-N 3.42Å; M381-A385 WeakPolarHBondContact O-CB 3.49Å; M381-A385 PolarHBondContact O-N 3.32Å
382	L	97.9	Very high	97.2	Very high	45 Å²	45	24.6 Å²	24.6	24%	0.236	12%	0.115	C	C	.	.	H	α-helix	trans	-68.4	-40.6	177.3	-57.5	-177.6	0	0	0	111.4	S378 E379 E380 E384 A385 D386 V392	S378-L382 PolarHBondContact O-N 3.3Å; E379-L382 WeakPolarHBondContact O-CB 3.43Å; E379-L382 PolarHBondContact O-N 2.89Å; E379-L382 VanDerWaalsContact O-N 3.16Å; E380-L382 VanDerWaalsContact C-N 3.29Å; E380-L382 PolarHBondContact O-N 2.78Å; L382-E384 VanDerWaalsContact C-N 3.29Å; L382-E384 PolarHBondContact O-N 3.4Å; L382-A385 WeakPolarHBondContact O-CB 3.15Å; L382-A385 PolarHBondContact O-N 3.46Å; L382-D386 PolarHBondContact O-N 3.47Å; L382-V392 HydrophobicContact CD2-CB 4.42Å; L382-V392 HydrophobicContact CD2-CG1 3.91Å; L382-V392 HydrophobicContact CD2-CG2 4.31Å
383	F	97.8	Very high	97.3	Very high	42 Å²	42	25.9 Å²	25.9	18%	0.184	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-36.1	174.5	-57.1	-31.7	0	0	0	112.4	Y20 F22 E379 E380 D386 R387	Y20-F383 AromaticContact CD1-CE2 3.75Å; Y20-F383 HydrophobicContact CD1-CE2 3.75Å; Y20-F383 HydrophobicContact CD1-CZ 4.21Å; Y20-F383 AromaticContact CD2-CE2 3.79Å; Y20-F383 HydrophobicContact CD2-CE2 3.79Å; Y20-F383 HydrophobicContact CD2-CZ 4.1Å; Y20-F383 AromaticContact CE1-CE2 4Å; Y20-F383 HydrophobicContact CE1-CE2 4Å; Y20-F383 HydrophobicContact CE2-CE2 4.03Å; Y20-F383 AromaticContact CG-CE2 3.62Å; Y20-F383 HydrophobicContact CG-CE2 3.62Å; Y20-F383 AromaticContact CG-CZ 3.77Å; Y20-F383 HydrophobicContact CG-CZ 3.77Å; F22-F383 HydrophobicContact CE1-CD2 4.39Å; F22-F383 HydrophobicContact CE1-CE2 4.05Å; F22-F383 HydrophobicContact CE1-CZ 4.48Å; F22-F383 HydrophobicContact CE2-CZ 4.32Å; F22-F383 HydrophobicContact CZ-CD2 4.18Å; F22-F383 HydrophobicContact CZ-CE1 4.15Å; F22-F383 AromaticContact CZ-CE2 3.65Å; F22-F383 HydrophobicContact CZ-CE2 3.65Å; F22-F383 AromaticContact CZ-CZ 3.63Å; F22-F383 HydrophobicContact CZ-CZ 3.63Å; E379-F383 HydrophobicContact CB-CE2 4.04Å; E379-F383 HydrophobicContact CB-CZ 4.06Å; E379-F383 WeakPolarHBondContact O-CD2 3.22Å; E379-F383 VanDerWaalsContact O-CG 3.27Å; E379-F383 WeakPolarHBondContact O-CG 3.38Å; E379-F383 PolarHBondContact O-N 3.47Å; E380-F383 PolarHBondContact O-N 2.61Å; F383-D386 PolarHBondContact O-N 3.05Å; F383-R387 WeakPolarHBondContact O-CG 3.47Å; F383-R387 PolarHBondContact O-N 3.5Å
384	E	98.2	Very high	97.3	Very high	22 Å²	22	30.6 Å²	30.6	10%	0.103	15%	0.147	C	C	.	.	H	α-helix	trans	-70.4	-36.2	175.8	-167.8	65.2	-177.7	0	0	111.6	M355 M359 E380 M381 L382 R387 R388	M355-E384 HydrophobicContact CE-CB 4.28Å; M355-E384 HydrophobicContact CE-CG 4.41Å; M355-E384 HydrophobicContact SD-CB 4.31Å; M359-E384 HydrophobicContact CB-CG 4.43Å; M359-E384 HydrophobicContact CE-CB 3.83Å; M359-E384 HydrophobicContact CE-CG 4Å; M359-E384 HydrophobicContact CG-CG 3.74Å; E380-E384 WeakPolarHBondContact O-CB 3.24Å; E380-E384 PolarHBondContact O-N 3.32Å; M381-E384 PolarHBondContact O-N 3.42Å; L382-E384 VanDerWaalsContact C-N 3.29Å; L382-E384 PolarHBondContact O-N 3.4Å; E384-R387 PolarHBondContact O-N 2.98Å; E384-R387 IonicContact OE2-CZ 2.98Å; E384-R387 IonicContact OE2-NE 3.43Å; E384-R387 PolarHBondContact OE2-NE 3.5Å; E384-R387 IonicContact OE2-NH2 3.26Å; E384-R387 PolarHBondContact OE2-NH2 2.78Å; E384-R388 WeakPolarHBondContact O-CB 3.36Å; E384-R388 WeakPolarHBondContact O-CG 3.41Å; E384-R388 PolarHBondContact O-N 3.36Å; E384-R388 IonicContact OE1-CZ 3.8Å; E384-R388 VanDerWaalsContact OE1-CZ 3.26Å; E384-R388 IonicContact OE1-NE 3.97Å; E384-R388 PolarHBondContact OE1-NE 3.33Å; E384-R388 IonicContact OE1-NH2 3.62Å; E384-R388 PolarHBondContact OE1-NH2 2.79Å
385	A	98.5	Very high	97.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-43.2	173.3	0	0	0	0	0	111.3	M359 F370 M381 L382 R387 R388 G389 I390 V392	M359-A385 HydrophobicContact CE-CB 3.97Å; F370-A385 HydrophobicContact CE1-CB 4.11Å; F370-A385 HydrophobicContact CZ-CB 4.38Å; M381-A385 WeakPolarHBondContact O-CB 3.49Å; M381-A385 PolarHBondContact O-N 3.32Å; L382-A385 WeakPolarHBondContact O-CB 3.15Å; L382-A385 PolarHBondContact O-N 3.46Å; A385-R387 VanDerWaalsContact C-N 3.33Å; A385-R387 PolarHBondContact O-N 2.98Å; A385-R388 PolarHBondContact O-N 2.94Å; A385-G389 PolarHBondContact O-N 2.66Å; A385-I390 HydrophobicContact CB-CB 4.23Å; A385-I390 PolarHBondContact O-N 3.39Å; A385-V392 HydrophobicContact CB-CG2 3.55Å
386	D	98.3	Very high	97.3	Very high	52 Å²	52	34.8 Å²	34.8	28%	0.278	17%	0.169	S	C	.	.	H	α-helix	trans	-58.9	-43.2	173.4	-77.9	-24.1	0	0	0	111.8	W279 V289 L291 L382 F383	W279-D386 PolarHBondContact NE1-O 3.43Å; V289-D386 WeakPolarHBondContact CG1-O 3.49Å; L291-D386 HydrophobicContact CD1-CB 4.3Å; L291-D386 HydrophobicContact CD2-CB 4.5Å; L382-D386 PolarHBondContact O-N 3.47Å; F383-D386 PolarHBondContact O-N 3.05Å
387	R	97.6	Very high	96.9	Very high	126 Å²	126	35 Å²	35	48%	0.475	17%	0.171	S	C	.	.	H	α-helix	trans	-66.4	-34.5	179.3	-78.8	-172.2	-72.6	-92	1.5	113.3	L291 F383 E384 A385	L291-R387 HydrophobicContact CD1-CG 4.01Å; F383-R387 WeakPolarHBondContact O-CG 3.47Å; F383-R387 PolarHBondContact O-N 3.5Å; E384-R387 PolarHBondContact O-N 2.98Å; E384-R387 IonicContact OE2-CZ 2.98Å; E384-R387 IonicContact OE2-NE 3.43Å; E384-R387 PolarHBondContact OE2-NE 3.5Å; E384-R387 IonicContact OE2-NH2 3.26Å; E384-R387 PolarHBondContact OE2-NH2 2.78Å; A385-R387 VanDerWaalsContact C-N 3.33Å; A385-R387 PolarHBondContact O-N 2.98Å
388	R	97.4	Very high	96	Very high	36 Å²	36	36.2 Å²	36.2	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-95.7	-7.6	-175.4	-68	174.6	-179.5	-113.6	7.2	114.2	M359 N360 E363 E384 A385 I390	M359-R388 VanDerWaalsContact CB-CZ 3.5Å; N360-R388 PolarHBondContact OD1-NH1 2.9Å; N360-R388 PolarHBondContact OD1-NH2 3.17Å; E363-R388 VanDerWaalsContact CD-NH1 3.28Å; E363-R388 WeakPolarHBondContact OE1-CD 3.21Å; E363-R388 WeakPolarHBondContact OE1-CG 3.3Å; E363-R388 IonicContact OE1-CZ 3.59Å; E363-R388 IonicContact OE1-NE 3.55Å; E363-R388 IonicContact OE1-NH1 3.68Å; E363-R388 PolarHBondContact OE1-NH1 3.36Å; E363-R388 IonicContact OE2-NH1 3.92Å; E363-R388 PolarHBondContact OE2-NH1 2.78Å; E384-R388 WeakPolarHBondContact O-CB 3.36Å; E384-R388 WeakPolarHBondContact O-CG 3.41Å; E384-R388 PolarHBondContact O-N 3.36Å; E384-R388 IonicContact OE1-CZ 3.8Å; E384-R388 VanDerWaalsContact OE1-CZ 3.26Å; E384-R388 IonicContact OE1-NE 3.97Å; E384-R388 PolarHBondContact OE1-NE 3.33Å; E384-R388 IonicContact OE1-NH2 3.62Å; E384-R388 PolarHBondContact OE1-NH2 2.79Å; A385-R388 PolarHBondContact O-N 2.94Å; R388-I390 VanDerWaalsContact C-N 3.34Å; R388-I390 HydrophobicContact CB-CG1 3.87Å
389	G	97.8	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	18.5	-177	0	0	0	0	0	112.9	W279 P281 Y282 A385	W279-G389 VanDerWaalsContact CZ2-CA 3.4Å; P281-G389 CarbonylContact C-O 3.54Å; P281-G389 VanDerWaalsContact CA-O 3.22Å; P281-G389 WeakPolarHBondContact CA-O 3.41Å; Y282-G389 PolarHBondContact N-O 2.73Å; A385-G389 PolarHBondContact O-N 2.66Å
390	I	98.3	Very high	92.4	Very high	3 Å²	3	43 Å²	43	2%	0.015	24%	0.24	C	C	.	.			trans	-85.9	124.7	-177.3	-56.7	-63.3	0	0	0	109.2	Y282 F370 A385 R388	Y282-I390 HydrophobicContact CD1-CD1 4.34Å; Y282-I390 HydrophobicContact CG-CD1 4.11Å; F370-I390 HydrophobicContact CD1-CG2 3.53Å; F370-I390 HydrophobicContact CE1-CG2 3.74Å; A385-I390 HydrophobicContact CB-CB 4.23Å; A385-I390 PolarHBondContact O-N 3.39Å; R388-I390 VanDerWaalsContact C-N 3.34Å; R388-I390 HydrophobicContact CB-CG1 3.87Å
391	V	98.6	Very high	91	Very high	10 Å²	10	46 Å²	46	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.8	-179.1	-179.7	0	0	0	0	110	W279 P281 I327 F332 F334 N368 S369 F370	W279-V391 HydrophobicContact CH2-CG2 4.11Å; W279-V391 HydrophobicContact CZ3-CG2 4.39Å; P281-V391 HydrophobicContact CB-CG2 3.9Å; P281-V391 HydrophobicContact CG-CG2 3.94Å; I327-V391 HydrophobicContact CD1-CG2 3.92Å; F332-V391 HydrophobicContact CE1-CB 4.12Å; F332-V391 HydrophobicContact CE1-CG1 4.14Å; F332-V391 HydrophobicContact CE1-CG2 4.05Å; F332-V391 HydrophobicContact CE2-CG2 4.08Å; F332-V391 HydrophobicContact CZ-CB 3.88Å; F332-V391 HydrophobicContact CZ-CG1 4.4Å; F332-V391 HydrophobicContact CZ-CG2 3.57Å; F334-V391 HydrophobicContact CE1-CG1 3.76Å; F334-V391 HydrophobicContact CZ-CG1 4.41Å; N368-V391 PolarHBondContact O-N 3.49Å; S369-V391 CarbonylContact C-O 3.6Å; S369-V391 WeakPolarHBondContact CA-O 3.46Å; S369-V391 VanDerWaalsContact CB-O 3.23Å; S369-V391 WeakPolarHBondContact CB-O 3.45Å; F370-V391 PolarHBondContact N-O 3.19Å
392	V	98.7	Very high	89.8	Confident	41 Å²	41	52.3 Å²	52.3	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.3	-176.4	-171.8	0	0	0	0	110.7	F370 T372 L382 A385	F370-V392 HydrophobicContact CD1-CG2 4.32Å; F370-V392 HydrophobicContact CD2-CG1 4.32Å; F370-V392 HydrophobicContact CE1-CG2 3.56Å; F370-V392 HydrophobicContact CE2-CG1 3.78Å; F370-V392 HydrophobicContact CE2-CG2 4.18Å; F370-V392 HydrophobicContact CZ-CB 4.32Å; F370-V392 HydrophobicContact CZ-CG1 3.92Å; F370-V392 HydrophobicContact CZ-CG2 3.46Å; F370-V392 VanDerWaalsContact CZ-CG2 3.46Å; F370-V392 WeakPolarHBondContact O-CA 3.23Å; T372-V392 HydrophobicContact CG2-CG1 3.66Å; L382-V392 HydrophobicContact CD2-CB 4.42Å; L382-V392 HydrophobicContact CD2-CG1 3.91Å; L382-V392 HydrophobicContact CD2-CG2 4.31Å; A385-V392 HydrophobicContact CB-CG2 3.55Å
393	I	98.4	Very high	88.6	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.138	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	103.6	162	-57	177.6	0	0	0	106.7	F334 F370 R371 T372 T418 L477 M525	F334-I393 HydrophobicContact CD1-CD1 4.13Å; F334-I393 HydrophobicContact CD1-CG1 4.39Å; F334-I393 HydrophobicContact CE1-CD1 4.03Å; F334-I393 HydrophobicContact CE1-CG1 3.95Å; F370-I393 PolarHBondContact O-N 2.85Å; R371-I393 WeakPolarHBondContact CA-O 3.16Å; R371-I393 HydrophobicContact CB-CB 4.11Å; R371-I393 HydrophobicContact CG-CB 3.99Å; R371-I393 HydrophobicContact CG-CG2 3.98Å; T372-I393 PolarHBondContact N-O 3.32Å; T372-I393 PolarHBondContact OG1-O 3.19Å; I393-T418 HydrophobicContact CG2-CG2 4.49Å; I393-L477 HydrophobicContact CD1-CD2 3.28Å; I393-M525 HydrophobicContact CD1-CE 3.67Å; I393-M525 HydrophobicContact CD1-SD 3.99Å; I393-M525 HydrophobicContact CG1-CE 4.19Å
394	N	96.5	Very high	88	Confident	98 Å²	98	61.9 Å²	61.9	52%	0.524	32%	0.315	S	S	.	.			trans	-85.6	116.6	-176.8	-164.9	4.1	0	0	0	110
395	E	94.7	Very high	87.4	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.154	31%	0.312	C	S	.	.			trans	-110.9	135.4	-170.6	-174.5	171.4	123.1	0	0	111.1	R371 T372 H374 Y375 P376	R371-E395 WeakPolarHBondContact CD-OE2 3.33Å; R371-E395 IonicContact CZ-OE2 2.67Å; R371-E395 IonicContact NE-OE2 3.58Å; R371-E395 PolarHBondContact NE-OE2 3.33Å; T372-E395 PolarHBondContact OG1-N 3.36Å; H374-E395 VanDerWaalsContact CA-OE1 3.28Å; H374-E395 WeakPolarHBondContact CA-OE1 3.44Å; H374-E395 WeakPolarHBondContact CB-OE1 3.24Å; H374-E395 IonicContact CE1-OE1 2.63Å; H374-E395 IonicContact CG-OE1 3.57Å; H374-E395 IonicContact ND1-OE1 3.62Å; H374-E395 PolarHBondContact ND1-OE1 2.63Å; Y375-E395 CarbonylContact C-O 3.54Å; P376-E395 VanDerWaalsContact CD-O 3.25Å; P376-E395 WeakPolarHBondContact CD-O 3.48Å; P376-E395 VanDerWaalsContact N-O 3.12Å
396	L	91.3	Very high	86.9	Confident	100 Å²	100	62.8 Å²	62.8	52%	0.524	33%	0.329	S	S	.	.			trans	-77.7	157.8	173.1	-65.9	171.9	0	0	0	110.5	A398 L404	L396-A398 HydrophobicContact CB-CB 4.31Å; L396-A398 PolarHBondContact O-N 3.46Å; L396-L404 HydrophobicContact CD1-CD1 4.42Å
397	P	86.3	Confident	86.5	Confident	19 Å²	19	64.6 Å²	64.6	12%	0.123	34%	0.338	C	S	.	.	S	Bend	trans	-73.8	25.1	176.3	22	-13	0	0	0	114.5	I168 P169 H374	I168-P397 HydrophobicContact CG2-CB 3.86Å; I168-P397 HydrophobicContact CG2-CG 3.75Å; I168-P397 WeakPolarHBondContact CG2-O 3.47Å; P169-P397 WeakPolarHBondContact CA-O 3.32Å; H374-P397 VanDerWaalsContact O-CA 3.27Å; H374-P397 WeakPolarHBondContact O-CA 3.06Å
398	A	79.2	Confident	86.2	Confident	32 Å²	32	60.3 Å²	60.3	26%	0.264	33%	0.33	S	S	.	.			trans	-120.9	135.2	-164.6	0	0	0	0	0	112.7	I168 L396 L401 L404	I168-A398 HydrophobicContact CG2-CB 3.82Å; L396-A398 HydrophobicContact CB-CB 4.31Å; L396-A398 PolarHBondContact O-N 3.46Å; A398-L401 HydrophobicContact CB-CD1 4.18Å; A398-L404 HydrophobicContact CB-CD1 4.28Å
399	V	61.7	Low	85.9	Confident	115 Å²	115	62 Å²	62	70%	0.697	34%	0.338	S	S	*	.	S	Bend	trans	-116.1	134.5	175.1	-174.6	0	0	0	0	109
400	G	56.9	Low	85.6	Confident	69 Å²	69	67.4 Å²	67.4	71%	0.711	37%	0.371	S	S	*	.	S	Bend	trans	85.8	14.4	164.7	0	0	0	0	0	118.6
401	L	68	Low	85.3	Confident	83 Å²	83	72.8 Å²	72.8	44%	0.435	40%	0.399	S	S	.	.			trans	-106.4	86.7	-170.5	-63.3	175.1	0	0	0	114.7	A398 R403 L404	A398-L401 HydrophobicContact CB-CD1 4.18Å; L401-R403 VanDerWaalsContact C-N 3.3Å; L401-R403 PolarHBondContact O-N 2.9Å; L401-R403 VanDerWaalsContact O-N 3.15Å; L401-L404 HydrophobicContact CB-CB 4.44Å; L401-L404 HydrophobicContact CB-CD1 3.63Å; L401-L404 HydrophobicContact CB-CG 3.73Å; L401-L404 HydrophobicContact CD1-CD1 3.63Å; L401-L404 HydrophobicContact CD1-CG 4.31Å; L401-L404 HydrophobicContact CG-CD1 4.29Å; L401-L404 WeakPolarHBondContact O-CB 3.45Å; L401-L404 PolarHBondContact O-N 3.36Å
402	R	73.1	Confident	85	Confident	144 Å²	144	74.6 Å²	74.6	54%	0.543	41%	0.408	S	S	.	.	H	α-helix	trans	-48.8	-41.3	179.1	-177.6	-177.6	175	-173.3	3.4	115	L404 I405 T432 M435	R402-L404 PolarHBondContact O-N 3.29Å; R402-I405 PolarHBondContact O-N 2.81Å; R402-T432 HydrophobicContact CB-CG2 4.25Å; R402-T432 HydrophobicContact CG-CG2 4.36Å; R402-M435 HydrophobicContact CG-CE 3.71Å; R402-M435 HydrophobicContact CG-SD 3.51Å; R402-M435 VanDerWaalsContact CG-SD 3.51Å; R402-M435 PolarHBondContact NE-SD 3.3Å
403	R	74.3	Confident	84.6	Confident	231 Å²	231	77.9 Å²	77.9	87%	0.872	43%	0.431	S	S	*	.	H	α-helix	trans	-65.4	-23	-177.5	-70.4	-172	-179.1	-159.6	1.6	112.8	L401 I405 L407	L401-R403 VanDerWaalsContact C-N 3.3Å; L401-R403 PolarHBondContact O-N 2.9Å; L401-R403 VanDerWaalsContact O-N 3.15Å; R403-I405 VanDerWaalsContact C-N 3.32Å; R403-I405 PolarHBondContact O-N 3.35Å; R403-L407 PolarHBondContact O-N 2.81Å
404	L	84.7	Confident	84.3	Confident	58 Å²	58	78.5 Å²	78.5	30%	0.304	44%	0.436	S	S	.	.	H	α-helix	trans	-71.2	-26.6	179.9	-62.7	-174.1	0	0	0	112.8	L396 A398 L401 R402 G406 L407 A408	L396-L404 HydrophobicContact CD1-CD1 4.42Å; A398-L404 HydrophobicContact CB-CD1 4.28Å; L401-L404 HydrophobicContact CB-CB 4.44Å; L401-L404 HydrophobicContact CB-CD1 3.63Å; L401-L404 HydrophobicContact CB-CG 3.73Å; L401-L404 HydrophobicContact CD1-CD1 3.63Å; L401-L404 HydrophobicContact CD1-CG 4.31Å; L401-L404 HydrophobicContact CG-CD1 4.29Å; L401-L404 WeakPolarHBondContact O-CB 3.45Å; L401-L404 PolarHBondContact O-N 3.36Å; R402-L404 PolarHBondContact O-N 3.29Å; L404-G406 PolarHBondContact O-N 2.78Å; L404-L407 HydrophobicContact CD2-CD2 4.43Å; L404-L407 PolarHBondContact O-N 2.87Å; L404-A408 VanDerWaalsContact O-CB 3.31Å; L404-A408 WeakPolarHBondContact O-CB 3.07Å; L404-A408 PolarHBondContact O-N 2.97Å
405	I	86	Confident	84.2	Confident	6 Å²	6	79.7 Å²	79.7	3%	0.031	43%	0.433	C	S	.	.	H	α-helix	trans	-61.1	-49.6	178.5	-54.3	170.7	0	0	0	110.4	R402 R403 L407 A408 K409 V417 I419 M435 V436	R402-I405 PolarHBondContact O-N 2.81Å; R403-I405 VanDerWaalsContact C-N 3.32Å; R403-I405 PolarHBondContact O-N 3.35Å; I405-L407 VanDerWaalsContact C-N 3.34Å; I405-A408 PolarHBondContact O-N 2.8Å; I405-K409 WeakPolarHBondContact O-CG 3.5Å; I405-K409 PolarHBondContact O-N 3.29Å; I405-K409 VanDerWaalsContact O-N 3.14Å; I405-V417 HydrophobicContact CG2-CG1 3.99Å; I405-I419 HydrophobicContact CD1-CD1 3.52Å; I405-I419 HydrophobicContact CD1-CG1 4.45Å; I405-I419 HydrophobicContact CG1-CD1 3.77Å; I405-I419 HydrophobicContact CG1-CG1 4.43Å; I405-M435 HydrophobicContact CB-CE 4.48Å; I405-M435 HydrophobicContact CD1-CB 3.81Å; I405-M435 HydrophobicContact CD1-CE 4.25Å; I405-M435 HydrophobicContact CD1-SD 4.41Å; I405-M435 HydrophobicContact CG2-CB 4.29Å; I405-V436 HydrophobicContact CD1-CG1 4.04Å
406	G	86.9	Confident	84.3	Confident	36 Å²	36	80.2 Å²	80.2	37%	0.371	44%	0.439	S	S	.	.	H	α-helix	trans	-66.6	-37.5	-179.9	0	0	0	0	0	112.3	L404 T410	L404-G406 PolarHBondContact O-N 2.78Å; G406-T410 WeakPolarHBondContact O-CB 3.42Å; G406-T410 PolarHBondContact O-N 2.62Å; G406-T410 VanDerWaalsContact O-N 3.1Å; G406-T410 PolarHBondContact O-OG1 3.29Å
407	L	90.3	Very high	84.4	Confident	90 Å²	90	76.6 Å²	76.6	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-45.3	175.2	-179.1	60.6	0	0	0	111.3	R403 L404 I405 K409 T410 L411	R403-L407 PolarHBondContact O-N 2.81Å; L404-L407 HydrophobicContact CD2-CD2 4.43Å; L404-L407 PolarHBondContact O-N 2.87Å; I405-L407 VanDerWaalsContact C-N 3.34Å; L407-K409 PolarHBondContact O-N 3.37Å; L407-T410 WeakPolarHBondContact O-CB 3.36Å; L407-T410 PolarHBondContact O-N 3.05Å; L407-L411 HydrophobicContact CD1-CD1 4Å; L407-L411 HydrophobicContact CD1-CD2 4.5Å; L407-L411 HydrophobicContact CD1-CG 4Å; L407-L411 HydrophobicContact CD2-CD1 4.49Å; L407-L411 HydrophobicContact CG-CD1 3.86Å; L407-L411 HydrophobicContact CG-CG 4.28Å; L407-L411 WeakPolarHBondContact O-CG 3.4Å; L407-L411 PolarHBondContact O-N 2.71Å
408	A	91.1	Very high	84.8	Confident	36 Å²	36	77.6 Å²	77.6	30%	0.298	43%	0.427	S	S	.	.	H	α-helix	trans	-57.2	-49.2	178.4	0	0	0	0	0	111.3	L404 I405 T410 L411 D412 V417	L404-A408 VanDerWaalsContact O-CB 3.31Å; L404-A408 WeakPolarHBondContact O-CB 3.07Å; L404-A408 PolarHBondContact O-N 2.97Å; I405-A408 PolarHBondContact O-N 2.8Å; A408-T410 PolarHBondContact O-N 3.44Å; A408-L411 PolarHBondContact O-N 3.29Å; A408-D412 PolarHBondContact O-N 2.98Å; A408-V417 HydrophobicContact CB-CG1 4.35Å; A408-V417 HydrophobicContact CB-CG2 3.91Å
409	K	91.2	Very high	85.5	Confident	71 Å²	71	78.2 Å²	78.2	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-29.9	175.9	-69	-177.6	171.4	-175.7	0	113.6	I405 L407 D412 V417 M435 D437	I405-K409 WeakPolarHBondContact O-CG 3.5Å; I405-K409 PolarHBondContact O-N 3.29Å; I405-K409 VanDerWaalsContact O-N 3.14Å; L407-K409 PolarHBondContact O-N 3.37Å; K409-D412 CarbonylContact O-C 3.54Å; K409-V417 HydrophobicContact CG-CB 4.38Å; K409-V417 HydrophobicContact CG-CG2 3.7Å; K409-M435 PolarHBondContact NZ-O 3.18Å; K409-D437 WeakPolarHBondContact CE-OD1 3.15Å; K409-D437 WeakPolarHBondContact CE-OD2 3.39Å; K409-D437 VanDerWaalsContact NZ-CG 3.31Å; K409-D437 IonicContact NZ-OD1 3.98Å; K409-D437 PolarHBondContact NZ-OD1 3.01Å; K409-D437 IonicContact NZ-OD2 3.45Å; K409-D437 PolarHBondContact NZ-OD2 3.29Å
410	T	92.1	Very high	87	Confident	114 Å²	114	74.6 Å²	74.6	70%	0.699	40%	0.403	S	S	*	.	H	α-helix	trans	-76.1	-38.6	177.4	-57.1	0	0	0	0	111.5	G406 L407 A408	G406-T410 WeakPolarHBondContact O-CB 3.42Å; G406-T410 PolarHBondContact O-N 2.62Å; G406-T410 VanDerWaalsContact O-N 3.1Å; G406-T410 PolarHBondContact O-OG1 3.29Å; L407-T410 WeakPolarHBondContact O-CB 3.36Å; L407-T410 PolarHBondContact O-N 3.05Å; A408-T410 PolarHBondContact O-N 3.44Å
411	L	91.5	Very high	88.8	Confident	116 Å²	116	71.5 Å²	71.5	61%	0.607	37%	0.37	S	S	*	.	H	α-helix	trans	-75.3	-37.4	179.7	-68.9	174.7	0	0	0	112	L12 L407 A408	L12-L411 HydrophobicContact CD2-CD2 4.43Å; L407-L411 HydrophobicContact CD1-CD1 4Å; L407-L411 HydrophobicContact CD1-CD2 4.5Å; L407-L411 HydrophobicContact CD1-CG 4Å; L407-L411 HydrophobicContact CD2-CD1 4.49Å; L407-L411 HydrophobicContact CG-CD1 3.86Å; L407-L411 HydrophobicContact CG-CG 4.28Å; L407-L411 WeakPolarHBondContact O-CG 3.4Å; L407-L411 PolarHBondContact O-N 2.71Å; A408-L411 PolarHBondContact O-N 3.29Å
412	D	91.9	Very high	90	Very high	47 Å²	47	69 Å²	69	25%	0.251	36%	0.364	S	S	.	.			trans	-138.4	98.5	177.6	-179.9	15.2	0	0	0	111.2	A408 K409 T414 R415	A408-D412 PolarHBondContact O-N 2.98Å; K409-D412 CarbonylContact O-C 3.54Å; D412-T414 VanDerWaalsContact C-N 3.26Å; D412-T414 PolarHBondContact O-N 3.49Å; D412-T414 WeakPolarHBondContact OD1-CB 3.37Å; D412-T414 PolarHBondContact OD1-N 2.7Å; D412-T414 PolarHBondContact OD1-OG1 3.42Å; D412-R415 IonicContact OD1-NH1 3.09Å; D412-R415 VanDerWaalsContact OD2-CD 3.27Å; D412-R415 WeakPolarHBondContact OD2-CD 3.27Å; D412-R415 WeakPolarHBondContact OD2-CG 3.47Å; D412-R415 IonicContact OD2-CZ 3.84Å; D412-R415 IonicContact OD2-NE 2.74Å; D412-R415 IonicContact OD2-NH1 2.79Å; D412-R415 PolarHBondContact OD2-NH1 3.44Å
413	P	91.4	Very high	90.7	Very high	110 Å²	110	65.1 Å²	65.1	71%	0.714	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.1	176.7	33	-35.8	0	0	0	113.4
414	T	91.9	Very high	91.3	Very high	40 Å²	40	59 Å²	59	25%	0.245	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.7	-173	69.2	0	0	0	0	113.8	T220 D412	T220-T414 HydrophobicContact CG2-CG2 3.71Å; D412-T414 VanDerWaalsContact C-N 3.26Å; D412-T414 PolarHBondContact O-N 3.49Å; D412-T414 WeakPolarHBondContact OD1-CB 3.37Å; D412-T414 PolarHBondContact OD1-N 2.7Å; D412-T414 PolarHBondContact OD1-OG1 3.42Å
415	R	94.3	Very high	91.7	Very high	124 Å²	124	58 Å²	58	47%	0.468	37%	0.366	S	S	.	.	S	Bend	trans	-128.6	144.6	-174.3	-64.6	-179.9	-177.4	74	2.8	111.6	D412	D412-R415 IonicContact OD1-NH1 3.09Å; D412-R415 VanDerWaalsContact OD2-CD 3.27Å; D412-R415 WeakPolarHBondContact OD2-CD 3.27Å; D412-R415 WeakPolarHBondContact OD2-CG 3.47Å; D412-R415 IonicContact OD2-CZ 3.84Å; D412-R415 IonicContact OD2-NE 2.74Å; D412-R415 IonicContact OD2-NH1 2.79Å; D412-R415 PolarHBondContact OD2-NH1 3.44Å
416	P	95.8	Very high	92	Very high	43 Å²	43	62.4 Å²	62.4	28%	0.279	39%	0.387	S	S	.	.			trans	-69.8	151.4	172	28.9	-32.6	0	0	0	111.3	I318 L320 F325 D437	I318-P416 HydrophobicContact CG2-CG 4.27Å; L320-P416 HydrophobicContact CD1-CB 3.82Å; F325-P416 HydrophobicContact CE2-CG 3.69Å; F325-P416 HydrophobicContact CZ-CG 4.08Å; P416-D437 WeakPolarHBondContact CA-OD2 3.23Å; P416-D437 HydrophobicContact CB-CB 3.82Å
417	V	94.9	Very high	92.3	Very high	25 Å²	25	63.9 Å²	63.9	15%	0.152	38%	0.381	C	S	.	.			trans	-112.6	137.4	178.2	179.7	0	0	0	0	109.8	I405 A408 K409 V436 D437	I405-V417 HydrophobicContact CG2-CG1 3.99Å; A408-V417 HydrophobicContact CB-CG1 4.35Å; A408-V417 HydrophobicContact CB-CG2 3.91Å; K409-V417 HydrophobicContact CG-CB 4.38Å; K409-V417 HydrophobicContact CG-CG2 3.7Å; V417-V436 WeakPolarHBondContact O-CB 3.11Å; V417-D437 PolarHBondContact N-OD2 2.74Å; V417-D437 PolarHBondContact O-N 3.4Å
418	T	94.7	Very high	92.5	Very high	40 Å²	40	64.4 Å²	64.4	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	165.1	176.1	-166.7	0	0	0	0	111.2	I393 V438 S440	I393-T418 HydrophobicContact CG2-CG2 4.49Å; T418-V438 WeakPolarHBondContact CB-O 3.41Å; T418-V438 PolarHBondContact OG1-O 2.75Å; T418-S440 WeakPolarHBondContact CG2-OG 3.12Å; T418-S440 WeakPolarHBondContact OG1-CB 3.34Å; T418-S440 PolarHBondContact OG1-OG 2.86Å
419	I	93	Very high	92.5	Very high	44 Å²	44	68.2 Å²	68.2	23%	0.226	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146	166.3	-66.7	175.9	0	0	0	105.9	I405 Y421 V436 S440	I405-I419 HydrophobicContact CD1-CD1 3.52Å; I405-I419 HydrophobicContact CD1-CG1 4.45Å; I405-I419 HydrophobicContact CG1-CD1 3.77Å; I405-I419 HydrophobicContact CG1-CG1 4.43Å; I419-Y421 HydrophobicContact CB-CE2 4.39Å; I419-Y421 HydrophobicContact CG2-CE1 4.44Å; I419-Y421 WeakPolarHBondContact O-CD2 3.33Å; I419-Y421 WeakPolarHBondContact O-CE2 3.46Å; I419-V436 HydrophobicContact CB-CG1 4.18Å; I419-V436 HydrophobicContact CD1-CG1 4.24Å; I419-V436 HydrophobicContact CG1-CG1 3.94Å; I419-S440 WeakPolarHBondContact O-CB 3.18Å
420	V	94	Very high	92.5	Very high	39 Å²	39	66.6 Å²	66.6	24%	0.236	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.9	176	177.2	0	0	0	0	109.6	R371 S440 N442	R371-V420 VanDerWaalsContact NH1-CG2 3.28Å; V420-S440 CarbonylContact C-O 3.6Å; V420-S440 WeakPolarHBondContact CA-O 3.34Å; V420-N442 HydrophobicContact CG1-CB 4.33Å; V420-N442 WeakPolarHBondContact CG1-ND2 3.5Å; V420-N442 WeakPolarHBondContact CG1-OD1 3.48Å
421	Y	94	Very high	92.4	Very high	5 Å²	5	68.5 Å²	68.5	2%	0.02	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.8	179	-62.4	-78.6	0	0	0	110.6	I419 D430 T432 A433 I439 S440 L441 N442 R443 W468	I419-Y421 HydrophobicContact CB-CE2 4.39Å; I419-Y421 HydrophobicContact CG2-CE1 4.44Å; I419-Y421 WeakPolarHBondContact O-CD2 3.33Å; I419-Y421 WeakPolarHBondContact O-CE2 3.46Å; Y421-D430 VanDerWaalsContact CD1-OD2 3.3Å; Y421-D430 WeakPolarHBondContact CD1-OD2 3.48Å; Y421-D430 VanDerWaalsContact CE1-CG 3.44Å; Y421-D430 WeakPolarHBondContact CE1-OD1 3.45Å; Y421-D430 WeakPolarHBondContact CE1-OD2 3.49Å; Y421-T432 VanDerWaalsContact CE1-OG1 3.3Å; Y421-T432 WeakPolarHBondContact CE1-OG1 3.41Å; Y421-T432 PolarHBondContact OH-OG1 3.22Å; Y421-A433 HydrophobicContact CE2-CB 4.4Å; Y421-A433 WeakPolarHBondContact OH-CA 3.25Å; Y421-A433 PolarHBondContact OH-N 3.01Å; Y421-A433 VanDerWaalsContact OH-N 3.15Å; Y421-I439 HydrophobicContact CD2-CG2 4.11Å; Y421-I439 HydrophobicContact CE2-CG2 4.34Å; Y421-S440 WeakPolarHBondContact CD2-O 3.05Å; Y421-S440 PolarHBondContact N-O 3Å; Y421-L441 HydrophobicContact CD2-CD2 4.26Å; Y421-L441 HydrophobicContact CG-CD2 4.44Å; Y421-N442 PolarHBondContact O-N 2.83Å; Y421-R443 PolarHBondContact O-NH1 3.06Å; Y421-W468 AromaticContact CD1-CH2 3.92Å; Y421-W468 HydrophobicContact CD1-CH2 3.92Å; Y421-W468 HydrophobicContact CD1-CZ3 4.46Å; Y421-W468 HydrophobicContact CD2-CH2 4.3Å; Y421-W468 HydrophobicContact CD2-CZ3 4.24Å; Y421-W468 HydrophobicContact CE1-CH2 4.46Å; Y421-W468 HydrophobicContact CE2-CZ3 4.47Å; Y421-W468 AromaticContact CG-CH2 3.85Å; Y421-W468 HydrophobicContact CG-CH2 3.85Å; Y421-W468 HydrophobicContact CG-CZ3 4.26Å
422	G	92.2	Very high	92.4	Very high	29 Å²	29	64.2 Å²	64.2	30%	0.299	37%	0.371	S	S	.	.			trans	-69.9	175.2	178.8	0	0	0	0	0	113.7	A424 S425 R443	G422-A424 PolarHBondContact O-N 3.1Å; G422-S425 WeakPolarHBondContact O-CB 3.47Å; G422-S425 PolarHBondContact O-N 3.28Å; G422-R443 PolarHBondContact O-NH1 3.42Å
423	G	88.9	Confident	92.5	Very high	64 Å²	64	62 Å²	62	66%	0.66	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.3	-178.4	0	0	0	0	0	115.2
424	A	87.3	Confident	92.6	Very high	102 Å²	102	60.6 Å²	60.6	84%	0.843	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.1	173.8	0	0	0	0	0	113.3	G422	G422-A424 PolarHBondContact O-N 3.1Å
425	S	91.6	Very high	92.6	Very high	38 Å²	38	61.1 Å²	61.1	27%	0.266	35%	0.352	S	S	.	.			trans	-82.5	122.7	179	-57.6	0	0	0	0	110.3	G422 R443	G422-S425 WeakPolarHBondContact O-CB 3.47Å; G422-S425 PolarHBondContact O-N 3.28Å; S425-R443 PolarHBondContact O-NH2 2.9Å
426	E	92.5	Very high	92.6	Very high	98 Å²	98	55.3 Å²	55.3	46%	0.458	33%	0.33	S	S	.	.			trans	-111.8	140.3	177.7	-63.5	-176.1	150.1	0	0	111.2	H428 N429 D430	E426-H428 PolarHBondContact O-N 3.44Å; E426-H428 VanDerWaalsContact O-N 3.13Å; E426-H428 IonicContact OE2-CE1 3.61Å; E426-H428 PolarHBondContact OE2-CE1 3.38Å; E426-H428 IonicContact OE2-NE2 3.5Å; E426-H428 PolarHBondContact OE2-NE2 2.77Å; E426-N429 PolarHBondContact O-N 3.14Å; E426-N429 VanDerWaalsContact O-N 3.13Å; E426-D430 PolarHBondContact O-N 3.1Å; E426-D430 VanDerWaalsContact O-N 3.17Å
427	Y	94.6	Very high	92.5	Very high	66 Å²	66	55.4 Å²	55.4	26%	0.259	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.4	-174.5	71.6	-80.4	0	0	0	114	R467 A471 F472	Y427-R467 HydrophobicContact CD1-CB 3.79Å; Y427-R467 HydrophobicContact CD2-CB 4.43Å; Y427-R467 HydrophobicContact CE1-CB 3.8Å; Y427-R467 HydrophobicContact CE1-CG 4.12Å; Y427-R467 HydrophobicContact CE2-CB 4.4Å; Y427-R467 HydrophobicContact CG-CB 4.12Å; Y427-A471 HydrophobicContact CD2-CB 3.78Å; Y427-F472 WeakPolarHBondContact O-CZ 3.29Å
428	H	93.4	Very high	92.6	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.468	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-17	-175.8	58.4	69.7	0	0	0	113.8	E426	E426-H428 PolarHBondContact O-N 3.44Å; E426-H428 VanDerWaalsContact O-N 3.13Å; E426-H428 IonicContact OE2-CE1 3.61Å; E426-H428 PolarHBondContact OE2-CE1 3.38Å; E426-H428 IonicContact OE2-NE2 3.5Å; E426-H428 PolarHBondContact OE2-NE2 2.77Å
429	N	91.4	Very high	92.7	Very high	117 Å²	117	52.6 Å²	52.6	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-5.4	-179.6	-72	-11.8	0	0	0	112.9	E426	E426-N429 PolarHBondContact O-N 3.14Å; E426-N429 VanDerWaalsContact O-N 3.13Å
430	D	91.8	Very high	92.9	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.193	30%	0.301	C	S	.	.			trans	-72.6	132.1	-178.4	-162.9	-85.9	0	0	0	112.6	Y421 E426 T432 A433 W468	Y421-D430 VanDerWaalsContact CD1-OD2 3.3Å; Y421-D430 WeakPolarHBondContact CD1-OD2 3.48Å; Y421-D430 VanDerWaalsContact CE1-CG 3.44Å; Y421-D430 WeakPolarHBondContact CE1-OD1 3.45Å; Y421-D430 WeakPolarHBondContact CE1-OD2 3.49Å; E426-D430 PolarHBondContact O-N 3.1Å; E426-D430 VanDerWaalsContact O-N 3.17Å; D430-T432 WeakPolarHBondContact OD1-CA 3.36Å; D430-T432 PolarHBondContact OD1-N 2.95Å; D430-T432 PolarHBondContact OD1-OG1 3.32Å; D430-A433 HydrophobicContact CB-CB 4.3Å; D430-A433 WeakPolarHBondContact OD1-CB 3.47Å; D430-A433 PolarHBondContact OD1-N 2.7Å; D430-W468 HydrophobicContact CB-CH2 3.9Å; D430-W468 HydrophobicContact CB-CZ3 4.3Å
431	Q	89.7	Confident	93.1	Very high	154 Å²	154	48.7 Å²	48.7	72%	0.72	29%	0.29	S	S	*	.	S	Bend	trans	-101.6	-1.3	-176.8	-59.2	-175.3	8.2	0	0	114
432	T	91.7	Very high	93.2	Very high	26 Å²	26	49.3 Å²	49.3	16%	0.16	29%	0.293	C	S	.	.	S	Bend	trans	-124.5	-21.2	-168.8	65.3	0	0	0	0	113.9	R402 Y421 D430 S434 M435	R402-T432 HydrophobicContact CB-CG2 4.25Å; R402-T432 HydrophobicContact CG-CG2 4.36Å; Y421-T432 VanDerWaalsContact CE1-OG1 3.3Å; Y421-T432 WeakPolarHBondContact CE1-OG1 3.41Å; Y421-T432 PolarHBondContact OH-OG1 3.22Å; D430-T432 WeakPolarHBondContact OD1-CA 3.36Å; D430-T432 PolarHBondContact OD1-N 2.95Å; D430-T432 PolarHBondContact OD1-OG1 3.32Å; T432-S434 PolarHBondContact O-N 3.42Å; T432-M435 VanDerWaalsContact O-CB 3.3Å; T432-M435 WeakPolarHBondContact O-CB 3.49Å; T432-M435 PolarHBondContact O-N 3.15Å
433	A	93.4	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	-176	0	0	0	0	0	113.4	Y421 D430 M435 V436 W468 F472 K474	Y421-A433 HydrophobicContact CE2-CB 4.4Å; Y421-A433 WeakPolarHBondContact OH-CA 3.25Å; Y421-A433 PolarHBondContact OH-N 3.01Å; Y421-A433 VanDerWaalsContact OH-N 3.15Å; D430-A433 HydrophobicContact CB-CB 4.3Å; D430-A433 WeakPolarHBondContact OD1-CB 3.47Å; D430-A433 PolarHBondContact OD1-N 2.7Å; A433-M435 PolarHBondContact O-N 2.93Å; A433-V436 WeakPolarHBondContact O-CG2 3.41Å; A433-W468 HydrophobicContact CB-CE3 4.47Å; A433-W468 HydrophobicContact CB-CZ3 3.7Å; A433-F472 HydrophobicContact CB-CD1 4.02Å; A433-F472 HydrophobicContact CB-CD2 3.94Å; A433-F472 HydrophobicContact CB-CE1 3.73Å; A433-F472 HydrophobicContact CB-CE2 3.64Å; A433-F472 HydrophobicContact CB-CG 4.13Å; A433-F472 HydrophobicContact CB-CZ 3.53Å; A433-K474 PolarHBondContact O-NZ 2.89Å
434	S	92.8	Very high	93.9	Very high	81 Å²	81	46.8 Å²	46.8	57%	0.566	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.2	171.2	61.8	0	0	0	0	113.6	T432 K474	T432-S434 PolarHBondContact O-N 3.42Å; S434-K474 PolarHBondContact O-NZ 3.18Å
435	M	92.9	Very high	94.4	Very high	52 Å²	52	42.5 Å²	42.5	26%	0.256	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-25.4	-174.8	-58.2	176.9	59.2	0	0	114.9	R402 I405 K409 T432 A433	R402-M435 HydrophobicContact CG-CE 3.71Å; R402-M435 HydrophobicContact CG-SD 3.51Å; R402-M435 VanDerWaalsContact CG-SD 3.51Å; R402-M435 PolarHBondContact NE-SD 3.3Å; I405-M435 HydrophobicContact CB-CE 4.48Å; I405-M435 HydrophobicContact CD1-CB 3.81Å; I405-M435 HydrophobicContact CD1-CE 4.25Å; I405-M435 HydrophobicContact CD1-SD 4.41Å; I405-M435 HydrophobicContact CG2-CB 4.29Å; K409-M435 PolarHBondContact NZ-O 3.18Å; T432-M435 VanDerWaalsContact O-CB 3.3Å; T432-M435 WeakPolarHBondContact O-CB 3.49Å; T432-M435 PolarHBondContact O-N 3.15Å; A433-M435 PolarHBondContact O-N 2.93Å
436	V	93.9	Very high	94.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	20%	0.204	C	C	.	.	S	Bend	trans	-77.9	160.9	177.1	-63.7	0	0	0	0	111.4	I405 V417 I419 A433 V438 I439 K474	I405-V436 HydrophobicContact CD1-CG1 4.04Å; V417-V436 WeakPolarHBondContact O-CB 3.11Å; I419-V436 HydrophobicContact CB-CG1 4.18Å; I419-V436 HydrophobicContact CD1-CG1 4.24Å; I419-V436 HydrophobicContact CG1-CG1 3.94Å; A433-V436 WeakPolarHBondContact O-CG2 3.41Å; V436-V438 VanDerWaalsContact CG2-O 3.29Å; V436-V438 WeakPolarHBondContact CG2-O 3.44Å; V436-I439 HydrophobicContact CG2-CG1 4.15Å; V436-K474 WeakPolarHBondContact O-CD 3.24Å; V436-K474 WeakPolarHBondContact O-CE 3.34Å; V436-K474 PolarHBondContact O-NZ 3.48Å
437	D	94.9	Very high	94.9	Very high	45 Å²	45	36.5 Å²	36.5	24%	0.241	18%	0.184	C	C	.	.	S	Bend	trans	-92.3	-29.9	177.8	-51	-57.7	0	0	0	112.1	L320 K409 P416 V417	L320-D437 HydrophobicContact CD1-CB 3.4Å; K409-D437 WeakPolarHBondContact CE-OD1 3.15Å; K409-D437 WeakPolarHBondContact CE-OD2 3.39Å; K409-D437 VanDerWaalsContact NZ-CG 3.31Å; K409-D437 IonicContact NZ-OD1 3.98Å; K409-D437 PolarHBondContact NZ-OD1 3.01Å; K409-D437 IonicContact NZ-OD2 3.45Å; K409-D437 PolarHBondContact NZ-OD2 3.29Å; P416-D437 WeakPolarHBondContact CA-OD2 3.23Å; P416-D437 HydrophobicContact CB-CB 3.82Å; V417-D437 PolarHBondContact N-OD2 2.74Å; V417-D437 PolarHBondContact O-N 3.4Å
438	V	96.3	Very high	95	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139	174.8	179	0	0	0	0	108.3	L320 F325 T418 V436 P475 L477 I522	L320-V438 HydrophobicContact CD1-CG2 4.1Å; L320-V438 HydrophobicContact CD2-CG2 4.06Å; F325-V438 HydrophobicContact CD2-CG2 4.24Å; F325-V438 HydrophobicContact CE2-CG2 4.46Å; T418-V438 WeakPolarHBondContact CB-O 3.41Å; T418-V438 PolarHBondContact OG1-O 2.75Å; V436-V438 VanDerWaalsContact CG2-O 3.29Å; V436-V438 WeakPolarHBondContact CG2-O 3.44Å; V438-P475 HydrophobicContact CG2-CG 4.07Å; V438-L477 HydrophobicContact CG1-CB 4.02Å; V438-I522 HydrophobicContact CG1-CD1 3.8Å; V438-I522 HydrophobicContact CG2-CD1 4.21Å
439	I	96.6	Very high	95.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.5	172.9	-69	167.3	0	0	0	108	Y421 V436 L441 W468 F472 K474 P475 I476 L477	Y421-I439 HydrophobicContact CD2-CG2 4.11Å; Y421-I439 HydrophobicContact CE2-CG2 4.34Å; V436-I439 HydrophobicContact CG2-CG1 4.15Å; I439-L441 HydrophobicContact CG2-CD2 3.59Å; I439-L441 HydrophobicContact CG2-CG 4.07Å; I439-W468 HydrophobicContact CD1-CE3 4.17Å; I439-W468 HydrophobicContact CG2-CD2 4.24Å; I439-W468 HydrophobicContact CG2-CE3 3.63Å; I439-W468 HydrophobicContact CG2-CZ3 4.09Å; I439-F472 HydrophobicContact CD1-CB 3.5Å; I439-F472 VanDerWaalsContact CD1-CB 3.5Å; I439-F472 HydrophobicContact CD1-CD2 3.69Å; I439-F472 HydrophobicContact CD1-CG 3.83Å; I439-K474 HydrophobicContact CD1-CB 3.89Å; I439-K474 HydrophobicContact CD1-CD 4.27Å; I439-K474 HydrophobicContact CG1-CB 4.23Å; I439-K474 HydrophobicContact CG1-CD 4.34Å; I439-P475 PolarHBondContact N-O 2.87Å; I439-I476 HydrophobicContact CB-CD1 3.87Å; I439-I476 HydrophobicContact CD1-CD1 4.31Å; I439-I476 HydrophobicContact CG2-CD1 3.79Å; I439-I476 CarbonylContact O-C 3.58Å; I439-I476 WeakPolarHBondContact O-CA 3.38Å; I439-L477 PolarHBondContact O-N 3.21Å
440	S	97.2	Very high	95.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	178.7	-61.5	0	0	0	0	110.1	T418 I419 V420 Y421 L477	T418-S440 WeakPolarHBondContact CG2-OG 3.12Å; T418-S440 WeakPolarHBondContact OG1-CB 3.34Å; T418-S440 PolarHBondContact OG1-OG 2.86Å; I419-S440 WeakPolarHBondContact O-CB 3.18Å; V420-S440 CarbonylContact C-O 3.6Å; V420-S440 WeakPolarHBondContact CA-O 3.34Å; Y421-S440 WeakPolarHBondContact CD2-O 3.05Å; Y421-S440 PolarHBondContact N-O 3Å; S440-L477 CarbonylContact C-O 3.06Å; S440-L477 VanDerWaalsContact CA-O 3.27Å; S440-L477 WeakPolarHBondContact CA-O 3.04Å
441	L	97.7	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.3	-175.1	-53.7	179.5	0	0	0	111.3	Y421 I439 R443 W468 I476 L477 I478 T479	Y421-L441 HydrophobicContact CD2-CD2 4.26Å; Y421-L441 HydrophobicContact CG-CD2 4.44Å; I439-L441 HydrophobicContact CG2-CD2 3.59Å; I439-L441 HydrophobicContact CG2-CG 4.07Å; L441-R443 HydrophobicContact CB-CG 4.2Å; L441-W468 HydrophobicContact CD1-CB 4.44Å; L441-W468 HydrophobicContact CD1-CG 4.11Å; L441-W468 HydrophobicContact CD2-CD2 3.93Å; L441-W468 HydrophobicContact CD2-CE3 4.31Å; L441-W468 HydrophobicContact CD2-CG 4.26Å; L441-W468 HydrophobicContact CD2-CZ2 4.25Å; L441-I476 HydrophobicContact CD1-CG2 3.85Å; L441-I476 HydrophobicContact CG-CG2 4.25Å; L441-L477 PolarHBondContact N-O 2.71Å; L441-I478 HydrophobicContact CB-CD1 3.88Å; L441-I478 HydrophobicContact CD1-CD1 4.28Å; L441-I478 WeakPolarHBondContact O-CA 2.99Å; L441-T479 PolarHBondContact O-N 3.14Å; L441-T479 PolarHBondContact O-OG1 3.32Å
442	N	97	Very high	95.9	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.2	165.2	-71.5	-4.7	0	0	0	108.9	R371 V420 Y421 T479 E480	R371-N442 PolarHBondContact NH1-OD1 3.35Å; V420-N442 HydrophobicContact CG1-CB 4.33Å; V420-N442 WeakPolarHBondContact CG1-ND2 3.5Å; V420-N442 WeakPolarHBondContact CG1-OD1 3.48Å; Y421-N442 PolarHBondContact O-N 2.83Å; N442-T479 PolarHBondContact OD1-OG1 3.02Å; N442-E480 HydrophobicContact CB-CB 3.88Å; N442-E480 HydrophobicContact CB-CG 4.35Å; N442-E480 VanDerWaalsContact CG-OE1 3.32Å; N442-E480 PolarHBondContact ND2-OE1 3.22Å; N442-E480 PolarHBondContact ND2-OE2 3.16Å; N442-E480 WeakPolarHBondContact OD1-CB 3.25Å; N442-E480 WeakPolarHBondContact OD1-CG 3.24Å; N442-E480 PolarHBondContact OD1-N 3.14Å; N442-E480 PolarHBondContact OD1-OE1 3.36Å
443	R	97.9	Very high	96.2	Very high	9 Å²	9	36.8 Å²	36.8	3%	0.034	19%	0.189	C	C	.	.			trans	-136.5	129.9	-175.4	-64.9	-60.5	-179.9	-105.7	14.3	112.3	Y421 G422 S425 L441 Y445 L461 D464 I478 E480 Y481	Y421-R443 PolarHBondContact O-NH1 3.06Å; G422-R443 PolarHBondContact O-NH1 3.42Å; S425-R443 PolarHBondContact O-NH2 2.9Å; L441-R443 HydrophobicContact CB-CG 4.2Å; R443-Y445 HydrophobicContact CB-CD2 3.87Å; R443-Y445 HydrophobicContact CB-CE2 3.84Å; R443-Y445 HydrophobicContact CG-CD2 4.46Å; R443-Y445 HydrophobicContact CG-CE2 3.92Å; R443-L461 HydrophobicContact CB-CD1 3.94Å; R443-L461 HydrophobicContact CG-CD1 4.02Å; R443-D464 VanDerWaalsContact CD-OD2 3.3Å; R443-D464 WeakPolarHBondContact CD-OD2 3.31Å; R443-D464 IonicContact CZ-OD2 3.14Å; R443-D464 IonicContact NE-OD2 3.03Å; R443-D464 PolarHBondContact NE-OD2 2.93Å; R443-D464 IonicContact NH2-OD1 3.26Å; R443-D464 IonicContact NH2-OD2 3.92Å; R443-I478 HydrophobicContact CG-CD1 4.49Å; R443-E480 PolarHBondContact N-O 2.95Å; R443-Y481 WeakPolarHBondContact O-CA 3.15Å
444	Y	98.1	Very high	96.4	Very high	31 Å²	31	37 Å²	37	12%	0.122	19%	0.19	C	C	.	.			trans	-128.4	49.2	-175.1	-69	-81.6	0	0	0	110.9	W447 Y448 R449 E480 G482 W527 K546	Y444-W447 PolarHBondContact O-N 3.21Å; Y444-W447 VanDerWaalsContact O-N 3.12Å; Y444-Y448 HydrophobicContact CD1-CD2 4.37Å; Y444-Y448 HydrophobicContact CD1-CE2 4.36Å; Y444-Y448 AromaticContact CD2-CD2 3.97Å; Y444-Y448 HydrophobicContact CD2-CD2 3.97Å; Y444-Y448 HydrophobicContact CD2-CE2 4.2Å; Y444-Y448 AromaticContact CG-CD2 3.71Å; Y444-Y448 HydrophobicContact CG-CD2 3.71Å; Y444-Y448 HydrophobicContact CG-CE2 4.05Å; Y444-Y448 PolarHBondContact O-N 3.04Å; Y444-R449 PolarHBondContact O-N 3.29Å; Y444-E480 HydrophobicContact CE2-CB 4.09Å; Y444-E480 WeakPolarHBondContact CE2-OE2 3.49Å; Y444-E480 PolarHBondContact OH-OE2 2.87Å; Y444-G482 WeakPolarHBondContact CD1-O 3.49Å; Y444-W527 HydrophobicContact CE1-CB 4.42Å; Y444-W527 WeakPolarHBondContact OH-CB 3.33Å; Y444-K546 HydrophobicContact CE1-CD 3.81Å
445	Y	97.8	Very high	96.6	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.047	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-63.2	141.3	170.3	-65.4	-76.7	0	0	0	110.1	R443 W447 R449 I457 E460 L461 D464	R443-Y445 HydrophobicContact CB-CD2 3.87Å; R443-Y445 HydrophobicContact CB-CE2 3.84Å; R443-Y445 HydrophobicContact CG-CD2 4.46Å; R443-Y445 HydrophobicContact CG-CE2 3.92Å; Y445-W447 PolarHBondContact O-N 3.43Å; Y445-R449 HydrophobicContact CD1-CB 4.13Å; Y445-R449 HydrophobicContact CD1-CG 3.94Å; Y445-R449 HydrophobicContact CE1-CG 4.14Å; Y445-I457 WeakPolarHBondContact O-CD1 3.4Å; Y445-E460 HydrophobicContact CD1-CB 3.59Å; Y445-E460 HydrophobicContact CD1-CG 4.44Å; Y445-E460 WeakPolarHBondContact CD1-OE2 3.42Å; Y445-E460 HydrophobicContact CE1-CB 3.5Å; Y445-E460 HydrophobicContact CE1-CG 4.42Å; Y445-E460 WeakPolarHBondContact CE1-OE2 3.47Å; Y445-E460 HydrophobicContact CG-CB 4.34Å; Y445-L461 HydrophobicContact CD2-CB 3.74Å; Y445-L461 HydrophobicContact CD2-CD1 3.82Å; Y445-L461 HydrophobicContact CD2-CG 4.27Å; Y445-L461 HydrophobicContact CE2-CB 4.05Å; Y445-L461 HydrophobicContact CE2-CD1 3.76Å; Y445-L461 HydrophobicContact CE2-CG 4.5Å; Y445-L461 HydrophobicContact CG-CB 4.46Å; Y445-D464 HydrophobicContact CE2-CB 4.42Å; Y445-D464 WeakPolarHBondContact OH-CB 3.25Å; Y445-D464 PolarHBondContact OH-OD2 2.85Å
446	G	97.1	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-8.7	-168.8	0	0	0	0	0	114	R449 N450 G452 Y501	G446-R449 WeakPolarHBondContact CA-O 3.24Å; G446-R449 PolarHBondContact N-O 3.01Å; G446-N450 CarbonylContact C-O 3.56Å; G446-N450 WeakPolarHBondContact CA-O 3.32Å; G446-G452 PolarHBondContact O-N 2.98Å; G446-Y501 PolarHBondContact O-OH 3.05Å
447	W	97.7	Very high	97	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.038	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-73.9	-179.5	-170.5	-105.2	0	0	0	112.4	Y444 Y445 P451 A483 D484 M496 F497 Y501	Y444-W447 PolarHBondContact O-N 3.21Å; Y444-W447 VanDerWaalsContact O-N 3.12Å; Y445-W447 PolarHBondContact O-N 3.43Å; W447-P451 WeakPolarHBondContact O-CB 3.35Å; W447-A483 HydrophobicContact CD2-CB 4.01Å; W447-A483 HydrophobicContact CE3-CB 3.53Å; W447-A483 HydrophobicContact CZ3-CB 3.92Å; W447-D484 HydrophobicContact CH2-CB 3.83Å; W447-D484 HydrophobicContact CZ2-CB 3.51Å; W447-D484 VanDerWaalsContact CZ2-OD2 3.24Å; W447-D484 WeakPolarHBondContact CZ2-OD2 3.35Å; W447-D484 PolarHBondContact NE1-OD2 3.31Å; W447-M496 HydrophobicContact CD2-CE 4.04Å; W447-M496 HydrophobicContact CE3-CE 3.62Å; W447-M496 HydrophobicContact CE3-CG 4.48Å; W447-M496 HydrophobicContact CH2-CB 4.29Å; W447-M496 HydrophobicContact CH2-CE 3.9Å; W447-M496 HydrophobicContact CZ2-CE 4.28Å; W447-M496 HydrophobicContact CZ3-CB 3.8Å; W447-M496 HydrophobicContact CZ3-CE 3.56Å; W447-M496 HydrophobicContact CZ3-CG 4.04Å; W447-F497 AromaticContact CH2-CD1 3.55Å; W447-F497 HydrophobicContact CH2-CD1 3.55Å; W447-F497 HydrophobicContact CH2-CD2 4.06Å; W447-F497 AromaticContact CH2-CE1 3.47Å; W447-F497 HydrophobicContact CH2-CE1 3.47Å; W447-F497 VanDerWaalsContact CH2-CE1 3.47Å; W447-F497 AromaticContact CH2-CE2 3.95Å; W447-F497 HydrophobicContact CH2-CE2 3.95Å; W447-F497 AromaticContact CH2-CG 3.88Å; W447-F497 HydrophobicContact CH2-CG 3.88Å; W447-F497 AromaticContact CH2-CZ 3.67Å; W447-F497 HydrophobicContact CH2-CZ 3.67Å; W447-F497 HydrophobicContact CZ2-CD1 4.08Å; W447-F497 AromaticContact CZ2-CE1 3.56Å; W447-F497 HydrophobicContact CZ2-CE1 3.56Å; W447-F497 HydrophobicContact CZ2-CE2 4.44Å; W447-F497 AromaticContact CZ2-CZ 3.76Å; W447-F497 HydrophobicContact CZ2-CZ 3.76Å; W447-Y501 HydrophobicContact CE3-CD1 4.4Å; W447-Y501 AromaticContact CE3-CE1 3.93Å; W447-Y501 HydrophobicContact CE3-CE1 3.93Å; W447-Y501 HydrophobicContact CZ3-CD1 4.26Å; W447-Y501 HydrophobicContact CZ3-CE1 4.16Å
448	Y	96.4	Very high	97.1	Very high	124 Å²	124	38.7 Å²	38.7	49%	0.486	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-26.9	175.9	-64.5	-48.7	0	0	0	112.2	Y444 R540 K546	Y444-Y448 HydrophobicContact CD1-CD2 4.37Å; Y444-Y448 HydrophobicContact CD1-CE2 4.36Å; Y444-Y448 AromaticContact CD2-CD2 3.97Å; Y444-Y448 HydrophobicContact CD2-CD2 3.97Å; Y444-Y448 HydrophobicContact CD2-CE2 4.2Å; Y444-Y448 AromaticContact CG-CD2 3.71Å; Y444-Y448 HydrophobicContact CG-CD2 3.71Å; Y444-Y448 HydrophobicContact CG-CE2 4.05Å; Y444-Y448 PolarHBondContact O-N 3.04Å; Y448-R540 PolarHBondContact OH-NH1 2.92Å; Y448-R540 PolarHBondContact OH-NH2 3.45Å; Y448-R540 VanDerWaalsContact OH-NH2 3.13Å; Y448-K546 PolarHBondContact OH-NZ 2.84Å
449	R	94.7	Very high	97.2	Very high	119 Å²	119	44.7 Å²	44.7	45%	0.449	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-110.8	122.9	172.7	-179.5	162.4	167.9	173.2	5.6	109.1	Y444 Y445 G446 E460	Y444-R449 PolarHBondContact O-N 3.29Å; Y445-R449 HydrophobicContact CD1-CB 4.13Å; Y445-R449 HydrophobicContact CD1-CG 3.94Å; Y445-R449 HydrophobicContact CE1-CG 4.14Å; G446-R449 WeakPolarHBondContact CA-O 3.24Å; G446-R449 PolarHBondContact N-O 3.01Å; R449-E460 IonicContact CZ-OE1 3.67Å; R449-E460 IonicContact CZ-OE2 3.05Å; R449-E460 IonicContact NE-OE1 2.73Å; R449-E460 PolarHBondContact NE-OE1 3.03Å; R449-E460 IonicContact NE-OE2 3.3Å; R449-E460 PolarHBondContact NE-OE2 3.39Å; R449-E460 VanDerWaalsContact NE-OE2 3.14Å; R449-E460 IonicContact NH2-OE1 2.73Å; R449-E460 PolarHBondContact NH2-OE1 3.43Å
450	N	95.8	Very high	97.2	Very high	63 Å²	63	46.3 Å²	46.3	34%	0.337	23%	0.225	S	C	.	.	S	Bend	trans	54.4	62.4	-171.1	-55.8	-38.8	0	0	0	112.5	G446 G452 H453 T456 E460	G446-N450 CarbonylContact C-O 3.56Å; G446-N450 WeakPolarHBondContact CA-O 3.32Å; N450-G452 PolarHBondContact O-N 2.9Å; N450-H453 HydrophobicContact CB-CB 4.15Å; N450-H453 PolarHBondContact O-N 3.12Å; N450-H453 VanDerWaalsContact O-N 3.16Å; N450-T456 HydrophobicContact CB-CG2 4.45Å; N450-E460 PolarHBondContact ND2-OE1 2.68Å; N450-E460 PolarHBondContact ND2-OE2 2.79Å
451	P	97	Very high	97.2	Very high	72 Å²	72	46.4 Å²	46.4	47%	0.468	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	131.4	-179.1	24.6	-34.1	0	0	0	111.3	W447 H453 M496	W447-P451 WeakPolarHBondContact O-CB 3.35Å; P451-H453 VanDerWaalsContact C-N 3.32Å; P451-H453 PolarHBondContact O-CD2 3.18Å; P451-H453 VanDerWaalsContact O-CD2 3.31Å; P451-M496 HydrophobicContact CB-CE 3.85Å; P451-M496 HydrophobicContact CB-SD 3.7Å
452	G	97.2	Very high	97.1	Very high	33 Å²	33	47.2 Å²	47.2	34%	0.34	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	0.1	179.8	0	0	0	0	0	114.9	G446 N450 P454 Y501	G446-G452 PolarHBondContact O-N 2.98Å; N450-G452 PolarHBondContact O-N 2.9Å; G452-P454 VanDerWaalsContact C-CD 3.45Å; G452-P454 VanDerWaalsContact O-CD 3.31Å; G452-P454 WeakPolarHBondContact O-CD 3.38Å; G452-Y501 VanDerWaalsContact C-OH 3.26Å; G452-Y501 WeakPolarHBondContact CA-OH 3.43Å; G452-Y501 PolarHBondContact N-OH 3.37Å
453	H	97.9	Very high	97.1	Very high	95 Å²	95	49.4 Å²	49.4	44%	0.44	25%	0.245	S	C	.	.			trans	-121.6	65.7	-173.8	-67.4	-74.4	0	0	0	112.6	N450 P451 E455 T456 Y501	N450-H453 HydrophobicContact CB-CB 4.15Å; N450-H453 PolarHBondContact O-N 3.12Å; N450-H453 VanDerWaalsContact O-N 3.16Å; P451-H453 VanDerWaalsContact C-N 3.32Å; P451-H453 PolarHBondContact O-CD2 3.18Å; P451-H453 VanDerWaalsContact O-CD2 3.31Å; H453-E455 WeakPolarHBondContact CA-OE2 3.47Å; H453-E455 WeakPolarHBondContact CB-OE1 3.33Å; H453-E455 IonicContact CG-OE1 2.76Å; H453-E455 IonicContact ND1-OE1 3.4Å; H453-E455 PolarHBondContact ND1-OE1 2.78Å; H453-E455 PolarHBondContact O-N 2.72Å; H453-T456 HydrophobicContact CB-CG2 3.96Å; H453-T456 PolarHBondContact O-N 3.03Å; H453-T456 VanDerWaalsContact O-N 3.14Å; H453-T456 PolarHBondContact O-OG1 3.11Å; H453-Y501 PolarHBondContact N-OH 3.23Å
454	P	97.4	Very high	97.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.026	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-64.1	-21.8	-178.2	29.8	-35.3	0	0	0	112.7	G452 T456 I457 Y501 E504 V505 Y508	G452-P454 VanDerWaalsContact C-CD 3.45Å; G452-P454 VanDerWaalsContact O-CD 3.31Å; G452-P454 WeakPolarHBondContact O-CD 3.38Å; P454-T456 PolarHBondContact O-N 3.06Å; P454-T456 VanDerWaalsContact O-N 3.13Å; P454-I457 HydrophobicContact CB-CD1 3.97Å; P454-I457 VanDerWaalsContact O-CB 3.24Å; P454-I457 WeakPolarHBondContact O-CB 3.28Å; P454-I457 WeakPolarHBondContact O-CD1 3.31Å; P454-I457 WeakPolarHBondContact O-CG1 3.29Å; P454-I457 PolarHBondContact O-N 2.99Å; P454-Y501 HydrophobicContact CG-CE2 4.03Å; P454-E504 HydrophobicContact CG-CB 4.37Å; P454-V505 HydrophobicContact CB-CG2 4.15Å; P454-Y508 HydrophobicContact CB-CD2 3.78Å; P454-Y508 HydrophobicContact CB-CE2 4.01Å; P454-Y508 HydrophobicContact CG-CD2 4.44Å; P454-Y508 HydrophobicContact CG-CE2 4.18Å; P454-Y508 WeakPolarHBondContact O-CD1 3.37Å; P454-Y508 WeakPolarHBondContact O-CD2 3.43Å; P454-Y508 VanDerWaalsContact O-CG 3.26Å
455	E	96.9	Very high	97	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.4	-22.4	173.9	74.3	-76.4	-178.2	0	0	113.9	H453 I457 Y508	H453-E455 WeakPolarHBondContact CA-OE2 3.47Å; H453-E455 WeakPolarHBondContact CB-OE1 3.33Å; H453-E455 IonicContact CG-OE1 2.76Å; H453-E455 IonicContact ND1-OE1 3.4Å; H453-E455 PolarHBondContact ND1-OE1 2.78Å; H453-E455 PolarHBondContact O-N 2.72Å; E455-I457 VanDerWaalsContact C-N 3.32Å; E455-Y508 HydrophobicContact CB-CE1 4.18Å
456	T	97.6	Very high	96.9	Very high	36 Å²	36	53.5 Å²	53.5	22%	0.221	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-77.3	-19	178.1	64.2	0	0	0	0	113.4	N450 H453 P454 E458 H459 E460	N450-T456 HydrophobicContact CB-CG2 4.45Å; H453-T456 HydrophobicContact CB-CG2 3.96Å; H453-T456 PolarHBondContact O-N 3.03Å; H453-T456 VanDerWaalsContact O-N 3.14Å; H453-T456 PolarHBondContact O-OG1 3.11Å; P454-T456 PolarHBondContact O-N 3.06Å; P454-T456 VanDerWaalsContact O-N 3.13Å; T456-E458 VanDerWaalsContact C-N 3.31Å; T456-E458 PolarHBondContact O-N 3.21Å; T456-H459 PolarHBondContact O-N 3.04Å; T456-E460 PolarHBondContact O-N 3.03Å
457	I	98.4	Very high	96.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-44	-173.9	-68.7	167.1	0	0	0	111	Y445 P454 E455 H459 E460 L461 V505 C509	Y445-I457 WeakPolarHBondContact O-CD1 3.4Å; P454-I457 HydrophobicContact CB-CD1 3.97Å; P454-I457 VanDerWaalsContact O-CB 3.24Å; P454-I457 WeakPolarHBondContact O-CB 3.28Å; P454-I457 WeakPolarHBondContact O-CD1 3.31Å; P454-I457 WeakPolarHBondContact O-CG1 3.29Å; P454-I457 PolarHBondContact O-N 2.99Å; E455-I457 VanDerWaalsContact C-N 3.32Å; I457-H459 VanDerWaalsContact C-N 3.33Å; I457-H459 PolarHBondContact O-N 2.88Å; I457-E460 PolarHBondContact O-N 3.48Å; I457-L461 HydrophobicContact CG2-CB 4.2Å; I457-L461 HydrophobicContact CG2-CD2 4.02Å; I457-L461 WeakPolarHBondContact O-CB 3.27Å; I457-L461 PolarHBondContact O-N 3.15Å; I457-V505 HydrophobicContact CD1-CB 4.32Å; I457-V505 HydrophobicContact CD1-CG1 4.09Å; I457-V505 HydrophobicContact CD1-CG2 4.27Å; I457-C509 HydrophobicContact CG2-CB 4.49Å
458	E	97	Very high	96.9	Very high	85 Å²	85	59.1 Å²	59.1	40%	0.397	29%	0.286	S	S	.	.	H	α-helix	trans	-56.9	-47.2	-176.3	-86.3	174.4	-140.2	0	0	112.8	T456 G462 Y508 R511 V512	T456-E458 VanDerWaalsContact C-N 3.31Å; T456-E458 PolarHBondContact O-N 3.21Å; E458-G462 PolarHBondContact O-N 2.87Å; E458-Y508 HydrophobicContact CG-CD1 3.98Å; E458-Y508 VanDerWaalsContact OE1-CD1 3.22Å; E458-Y508 WeakPolarHBondContact OE1-CD1 3.48Å; E458-R511 IonicContact OE1-CZ 3.89Å; E458-R511 IonicContact OE1-NE 3.97Å; E458-R511 PolarHBondContact OE1-NE 3.34Å; E458-R511 IonicContact OE1-NH2 2.7Å; E458-R511 PolarHBondContact OE1-NH2 2.84Å; E458-V512 VanDerWaalsContact CA-CG2 3.47Å; E458-V512 HydrophobicContact CB-CG2 4.3Å; E458-V512 HydrophobicContact CG-CG2 4.07Å
459	H	96.8	Very high	96.8	Very high	134 Å²	134	54.2 Å²	54.2	62%	0.62	27%	0.27	S	S	*	.	H	α-helix	trans	-74.3	-47.4	179.7	177.1	-93.8	0	0	0	111.8	T456 I457 N463	T456-H459 PolarHBondContact O-N 3.04Å; I457-H459 VanDerWaalsContact C-N 3.33Å; I457-H459 PolarHBondContact O-N 2.88Å; H459-N463 PolarHBondContact CD2-ND2 3.48Å; H459-N463 PolarHBondContact CE1-ND2 3.16Å; H459-N463 PolarHBondContact NE2-ND2 3.07Å; H459-N463 VanDerWaalsContact O-CB 3.25Å; H459-N463 WeakPolarHBondContact O-CB 3.33Å; H459-N463 PolarHBondContact O-N 3.17Å; H459-N463 PolarHBondContact O-ND2 3.35Å
460	E	97.1	Very high	96.8	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.159	27%	0.27	C	S	.	.	H	α-helix	trans	-73.8	-47.8	-172.5	-66.2	-157.5	130.1	0	0	112.9	Y445 R449 N450 T456 I457 N463 D464	Y445-E460 HydrophobicContact CD1-CB 3.59Å; Y445-E460 HydrophobicContact CD1-CG 4.44Å; Y445-E460 WeakPolarHBondContact CD1-OE2 3.42Å; Y445-E460 HydrophobicContact CE1-CB 3.5Å; Y445-E460 HydrophobicContact CE1-CG 4.42Å; Y445-E460 WeakPolarHBondContact CE1-OE2 3.47Å; Y445-E460 HydrophobicContact CG-CB 4.34Å; R449-E460 IonicContact CZ-OE1 3.67Å; R449-E460 IonicContact CZ-OE2 3.05Å; R449-E460 IonicContact NE-OE1 2.73Å; R449-E460 PolarHBondContact NE-OE1 3.03Å; R449-E460 IonicContact NE-OE2 3.3Å; R449-E460 PolarHBondContact NE-OE2 3.39Å; R449-E460 VanDerWaalsContact NE-OE2 3.14Å; R449-E460 IonicContact NH2-OE1 2.73Å; R449-E460 PolarHBondContact NH2-OE1 3.43Å; N450-E460 PolarHBondContact ND2-OE1 2.68Å; N450-E460 PolarHBondContact ND2-OE2 2.79Å; T456-E460 PolarHBondContact O-N 3.03Å; I457-E460 PolarHBondContact O-N 3.48Å; E460-N463 PolarHBondContact O-N 2.95Å; E460-D464 VanDerWaalsContact O-CB 3.28Å; E460-D464 WeakPolarHBondContact O-CB 3.31Å; E460-D464 PolarHBondContact O-N 3.45Å
461	L	97.8	Very high	96.8	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-42	-179.5	-178.8	56.6	0	0	0	111.2	R443 Y445 I457 D464 I465 I478 C509 V512 F513	R443-L461 HydrophobicContact CB-CD1 3.94Å; R443-L461 HydrophobicContact CG-CD1 4.02Å; Y445-L461 HydrophobicContact CD2-CB 3.74Å; Y445-L461 HydrophobicContact CD2-CD1 3.82Å; Y445-L461 HydrophobicContact CD2-CG 4.27Å; Y445-L461 HydrophobicContact CE2-CB 4.05Å; Y445-L461 HydrophobicContact CE2-CD1 3.76Å; Y445-L461 HydrophobicContact CE2-CG 4.5Å; Y445-L461 HydrophobicContact CG-CB 4.46Å; I457-L461 HydrophobicContact CG2-CB 4.2Å; I457-L461 HydrophobicContact CG2-CD2 4.02Å; I457-L461 WeakPolarHBondContact O-CB 3.27Å; I457-L461 PolarHBondContact O-N 3.15Å; L461-D464 PolarHBondContact O-N 2.89Å; L461-I465 HydrophobicContact CD1-CD1 3.93Å; L461-I465 HydrophobicContact CD1-CG1 4.15Å; L461-I465 HydrophobicContact CG-CD1 3.98Å; L461-I465 WeakPolarHBondContact O-CG1 3.42Å; L461-I465 PolarHBondContact O-N 3.19Å; L461-I478 HydrophobicContact CD1-CD1 4.32Å; L461-C509 HydrophobicContact CD2-CB 4.38Å; L461-V512 HydrophobicContact CB-CG1 4.47Å; L461-V512 HydrophobicContact CD2-CB 4.47Å; L461-V512 HydrophobicContact CD2-CG1 4.48Å; L461-V512 HydrophobicContact CG-CG1 4.17Å; L461-F513 HydrophobicContact CD2-CE1 3.57Å; L461-F513 HydrophobicContact CD2-CZ 3.97Å; L461-F513 HydrophobicContact CG-CE1 4.31Å
462	G	96.1	Very high	96.7	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-47.7	177.3	0	0	0	0	0	112	E458 D464 F466	E458-G462 PolarHBondContact O-N 2.87Å; G462-D464 PolarHBondContact O-N 3.45Å; G462-F466 WeakPolarHBondContact O-CB 3.34Å; G462-F466 PolarHBondContact O-N 3.17Å
463	N	96.3	Very high	96.5	Very high	63 Å²	63	56 Å²	56	34%	0.337	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-38.7	177	-78.8	-37.3	0	0	0	112.9	H459 E460 F466 R467	H459-N463 PolarHBondContact CD2-ND2 3.48Å; H459-N463 PolarHBondContact CE1-ND2 3.16Å; H459-N463 PolarHBondContact NE2-ND2 3.07Å; H459-N463 VanDerWaalsContact O-CB 3.25Å; H459-N463 WeakPolarHBondContact O-CB 3.33Å; H459-N463 PolarHBondContact O-N 3.17Å; H459-N463 PolarHBondContact O-ND2 3.35Å; E460-N463 PolarHBondContact O-N 2.95Å; N463-F466 PolarHBondContact O-N 2.89Å; N463-R467 WeakPolarHBondContact O-CB 3.48Å; N463-R467 VanDerWaalsContact O-CG 3.24Å; N463-R467 WeakPolarHBondContact O-CG 3.35Å; N463-R467 PolarHBondContact O-N 2.01Å
464	D	97.3	Very high	96.4	Very high	18 Å²	18	53.2 Å²	53.2	10%	0.096	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-49.7	179.2	-172.3	25.4	0	0	0	111.2	R443 Y445 E460 L461 G462 F466 R467 W468	R443-D464 VanDerWaalsContact CD-OD2 3.3Å; R443-D464 WeakPolarHBondContact CD-OD2 3.31Å; R443-D464 IonicContact CZ-OD2 3.14Å; R443-D464 IonicContact NE-OD2 3.03Å; R443-D464 PolarHBondContact NE-OD2 2.93Å; R443-D464 IonicContact NH2-OD1 3.26Å; R443-D464 IonicContact NH2-OD2 3.92Å; Y445-D464 HydrophobicContact CE2-CB 4.42Å; Y445-D464 WeakPolarHBondContact OH-CB 3.25Å; Y445-D464 PolarHBondContact OH-OD2 2.85Å; E460-D464 VanDerWaalsContact O-CB 3.28Å; E460-D464 WeakPolarHBondContact O-CB 3.31Å; E460-D464 PolarHBondContact O-N 3.45Å; L461-D464 PolarHBondContact O-N 2.89Å; G462-D464 PolarHBondContact O-N 3.45Å; D464-F466 VanDerWaalsContact C-N 3.28Å; D464-F466 PolarHBondContact O-N 3.23Å; D464-R467 PolarHBondContact O-N 3.3Å; D464-R467 VanDerWaalsContact O-N 3.14Å; D464-W468 VanDerWaalsContact O-CD1 3.28Å; D464-W468 PolarHBondContact O-N 3.31Å; D464-W468 PolarHBondContact OD1-NE1 3.02Å
465	I	97.3	Very high	96.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-45.2	174.8	-67.7	168.1	0	0	0	110.7	L461 R467 W468 S469 I476 I478 V512 F513 L516 P520	L461-I465 HydrophobicContact CD1-CD1 3.93Å; L461-I465 HydrophobicContact CD1-CG1 4.15Å; L461-I465 HydrophobicContact CG-CD1 3.98Å; L461-I465 WeakPolarHBondContact O-CG1 3.42Å; L461-I465 PolarHBondContact O-N 3.19Å; I465-R467 PolarHBondContact O-N 2.83Å; I465-W468 PolarHBondContact O-N 2.82Å; I465-S469 WeakPolarHBondContact O-CB 3.37Å; I465-S469 PolarHBondContact O-N 2.85Å; I465-I476 HydrophobicContact CG1-CG2 4.44Å; I465-I476 HydrophobicContact CG2-CB 4.28Å; I465-I476 HydrophobicContact CG2-CG1 4.18Å; I465-I476 HydrophobicContact CG2-CG2 4.12Å; I465-I478 HydrophobicContact CD1-CD1 4.12Å; I465-I478 HydrophobicContact CD1-CG1 4.3Å; I465-I478 HydrophobicContact CG1-CD1 4.19Å; I465-V512 HydrophobicContact CD1-CG1 4.25Å; I465-F513 HydrophobicContact CD1-CD1 4.45Å; I465-F513 HydrophobicContact CD1-CE1 4.3Å; I465-L516 HydrophobicContact CB-CD1 3.9Å; I465-L516 HydrophobicContact CD1-CD1 3.94Å; I465-L516 HydrophobicContact CG2-CD1 3.66Å; I465-P520 HydrophobicContact CG2-CG 3.85Å
466	F	94.9	Very high	96.4	Very high	121 Å²	121	49 Å²	49	53%	0.531	24%	0.242	S	C	.	.	H	α-helix	trans	-59.2	-47.4	177.1	174.9	-96.4	0	0	0	112	G462 N463 D464 W468 S469 D470	G462-F466 WeakPolarHBondContact O-CB 3.34Å; G462-F466 PolarHBondContact O-N 3.17Å; N463-F466 PolarHBondContact O-N 2.89Å; D464-F466 VanDerWaalsContact C-N 3.28Å; D464-F466 PolarHBondContact O-N 3.23Å; F466-W468 PolarHBondContact O-N 3.28Å; F466-S469 PolarHBondContact O-N 3.32Å; F466-D470 HydrophobicContact CE1-CB 4.31Å; F466-D470 HydrophobicContact CZ-CB 4.32Å; F466-D470 VanDerWaalsContact O-CB 3.27Å; F466-D470 WeakPolarHBondContact O-CB 3.49Å; F466-D470 PolarHBondContact O-N 3.42Å
467	R	96.7	Very high	96.4	Very high	127 Å²	127	47.4 Å²	47.4	48%	0.479	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-41.8	-178.7	-73.8	172.7	-178.2	-149.6	4.4	112.6	Y427 N463 D464 I465 A471	Y427-R467 HydrophobicContact CD1-CB 3.79Å; Y427-R467 HydrophobicContact CD2-CB 4.43Å; Y427-R467 HydrophobicContact CE1-CB 3.8Å; Y427-R467 HydrophobicContact CE1-CG 4.12Å; Y427-R467 HydrophobicContact CE2-CB 4.4Å; Y427-R467 HydrophobicContact CG-CB 4.12Å; N463-R467 WeakPolarHBondContact O-CB 3.48Å; N463-R467 VanDerWaalsContact O-CG 3.24Å; N463-R467 WeakPolarHBondContact O-CG 3.35Å; N463-R467 PolarHBondContact O-N 2.01Å; D464-R467 PolarHBondContact O-N 3.3Å; D464-R467 VanDerWaalsContact O-N 3.14Å; I465-R467 PolarHBondContact O-N 2.83Å; R467-A471 VanDerWaalsContact O-CB 3.25Å; R467-A471 WeakPolarHBondContact O-CB 3.42Å; R467-A471 PolarHBondContact O-N 3.02Å
468	W	97.4	Very high	96.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-45.9	174.8	-83.5	91.7	0	0	0	111.9	Y421 D430 A433 I439 L441 D464 I465 F466 F472 I476	Y421-W468 AromaticContact CD1-CH2 3.92Å; Y421-W468 HydrophobicContact CD1-CH2 3.92Å; Y421-W468 HydrophobicContact CD1-CZ3 4.46Å; Y421-W468 HydrophobicContact CD2-CH2 4.3Å; Y421-W468 HydrophobicContact CD2-CZ3 4.24Å; Y421-W468 HydrophobicContact CE1-CH2 4.46Å; Y421-W468 HydrophobicContact CE2-CZ3 4.47Å; Y421-W468 AromaticContact CG-CH2 3.85Å; Y421-W468 HydrophobicContact CG-CH2 3.85Å; Y421-W468 HydrophobicContact CG-CZ3 4.26Å; D430-W468 HydrophobicContact CB-CH2 3.9Å; D430-W468 HydrophobicContact CB-CZ3 4.3Å; A433-W468 HydrophobicContact CB-CE3 4.47Å; A433-W468 HydrophobicContact CB-CZ3 3.7Å; I439-W468 HydrophobicContact CD1-CE3 4.17Å; I439-W468 HydrophobicContact CG2-CD2 4.24Å; I439-W468 HydrophobicContact CG2-CE3 3.63Å; I439-W468 HydrophobicContact CG2-CZ3 4.09Å; L441-W468 HydrophobicContact CD1-CB 4.44Å; L441-W468 HydrophobicContact CD1-CG 4.11Å; L441-W468 HydrophobicContact CD2-CD2 3.93Å; L441-W468 HydrophobicContact CD2-CE3 4.31Å; L441-W468 HydrophobicContact CD2-CG 4.26Å; L441-W468 HydrophobicContact CD2-CZ2 4.25Å; D464-W468 VanDerWaalsContact O-CD1 3.28Å; D464-W468 PolarHBondContact O-N 3.31Å; D464-W468 PolarHBondContact OD1-NE1 3.02Å; I465-W468 PolarHBondContact O-N 2.82Å; F466-W468 PolarHBondContact O-N 3.28Å; W468-F472 AromaticContact CE3-CD2 3.81Å; W468-F472 HydrophobicContact CE3-CD2 3.81Å; W468-F472 AromaticContact CE3-CE2 3.63Å; W468-F472 HydrophobicContact CE3-CE2 3.63Å; W468-F472 HydrophobicContact CZ3-CD2 4.25Å; W468-F472 AromaticContact CZ3-CE2 3.75Å; W468-F472 HydrophobicContact CZ3-CE2 3.75Å; W468-F472 WeakPolarHBondContact O-CD2 3.37Å; W468-F472 PolarHBondContact O-N 2.82Å; W468-I476 HydrophobicContact CB-CD1 3.73Å
469	S	94.6	Very high	96.5	Very high	21 Å²	21	43.4 Å²	43.4	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-43	177.8	-175.4	0	0	0	0	112	I465 F466 A471 K473 P520	I465-S469 WeakPolarHBondContact O-CB 3.37Å; I465-S469 PolarHBondContact O-N 2.85Å; F466-S469 PolarHBondContact O-N 3.32Å; S469-A471 PolarHBondContact O-N 3.24Å; S469-K473 WeakPolarHBondContact O-CA 3.26Å; S469-K473 PolarHBondContact O-N 3.05Å; S469-P520 WeakPolarHBondContact OG-CB 3.43Å
470	D	94.5	Very high	96.6	Very high	83 Å²	83	37.6 Å²	37.6	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-41.5	-179.3	-173.3	55	0	0	0	112	F466 K473	F466-D470 HydrophobicContact CE1-CB 4.31Å; F466-D470 HydrophobicContact CZ-CB 4.32Å; F466-D470 VanDerWaalsContact O-CB 3.27Å; F466-D470 WeakPolarHBondContact O-CB 3.49Å; F466-D470 PolarHBondContact O-N 3.42Å; D470-K473 WeakPolarHBondContact O-CD 3.48Å; D470-K473 WeakPolarHBondContact O-CE 3.26Å; D470-K473 PolarHBondContact O-NZ 3.14Å; D470-K473 IonicContact OD1-NZ 2.79Å; D470-K473 PolarHBondContact OD1-NZ 2.95Å
471	A	96.3	Very high	96.6	Very high	52 Å²	52	36 Å²	36	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-68	-39.6	-179.1	0	0	0	0	0	113.4	Y427 R467 S469	Y427-A471 HydrophobicContact CD2-CB 3.78Å; R467-A471 VanDerWaalsContact O-CB 3.25Å; R467-A471 WeakPolarHBondContact O-CB 3.42Å; R467-A471 PolarHBondContact O-N 3.02Å; S469-A471 PolarHBondContact O-N 3.24Å
472	F	95.2	Very high	96.7	Very high	41 Å²	41	36 Å²	36	18%	0.18	18%	0.18	C	C	.	.	H	α-helix	trans	-113.1	-10.9	-170.6	-62.5	-70	0	0	0	114.9	Y427 A433 I439 W468 K474	Y427-F472 WeakPolarHBondContact O-CZ 3.29Å; A433-F472 HydrophobicContact CB-CD1 4.02Å; A433-F472 HydrophobicContact CB-CD2 3.94Å; A433-F472 HydrophobicContact CB-CE1 3.73Å; A433-F472 HydrophobicContact CB-CE2 3.64Å; A433-F472 HydrophobicContact CB-CG 4.13Å; A433-F472 HydrophobicContact CB-CZ 3.53Å; I439-F472 HydrophobicContact CD1-CB 3.5Å; I439-F472 VanDerWaalsContact CD1-CB 3.5Å; I439-F472 HydrophobicContact CD1-CD2 3.69Å; I439-F472 HydrophobicContact CD1-CG 3.83Å; W468-F472 AromaticContact CE3-CD2 3.81Å; W468-F472 HydrophobicContact CE3-CD2 3.81Å; W468-F472 AromaticContact CE3-CE2 3.63Å; W468-F472 HydrophobicContact CE3-CE2 3.63Å; W468-F472 HydrophobicContact CZ3-CD2 4.25Å; W468-F472 AromaticContact CZ3-CE2 3.75Å; W468-F472 HydrophobicContact CZ3-CE2 3.75Å; W468-F472 WeakPolarHBondContact O-CD2 3.37Å; W468-F472 PolarHBondContact O-N 2.82Å; F472-K474 VanDerWaalsContact C-N 3.29Å; F472-K474 HydrophobicContact CB-CD 4.41Å; F472-K474 WeakPolarHBondContact O-CG 3.32Å; F472-K474 PolarHBondContact O-N 3.36Å
473	K	94.1	Very high	96.8	Very high	148 Å²	148	35.1 Å²	35.1	64%	0.643	17%	0.171	S	C	*	.			trans	53.1	43.8	-179	-52.1	-58.5	-178.5	-168.5	0	112.9	S469 D470	S469-K473 WeakPolarHBondContact O-CA 3.26Å; S469-K473 PolarHBondContact O-N 3.05Å; D470-K473 WeakPolarHBondContact O-CD 3.48Å; D470-K473 WeakPolarHBondContact O-CE 3.26Å; D470-K473 PolarHBondContact O-NZ 3.14Å; D470-K473 IonicContact OD1-NZ 2.79Å; D470-K473 PolarHBondContact OD1-NZ 2.95Å
474	K	94.4	Very high	96.9	Very high	37 Å²	37	32.4 Å²	32.4	16%	0.161	16%	0.157	C	C	.	.			trans	-125.4	155	-177	-75.8	174.8	-167.3	-178.4	0	111.9	A433 S434 V436 I439 F472	A433-K474 PolarHBondContact O-NZ 2.89Å; S434-K474 PolarHBondContact O-NZ 3.18Å; V436-K474 WeakPolarHBondContact O-CD 3.24Å; V436-K474 WeakPolarHBondContact O-CE 3.34Å; V436-K474 PolarHBondContact O-NZ 3.48Å; I439-K474 HydrophobicContact CD1-CB 3.89Å; I439-K474 HydrophobicContact CD1-CD 4.27Å; I439-K474 HydrophobicContact CG1-CB 4.23Å; I439-K474 HydrophobicContact CG1-CD 4.34Å; F472-K474 VanDerWaalsContact C-N 3.29Å; F472-K474 HydrophobicContact CB-CD 4.41Å; F472-K474 WeakPolarHBondContact O-CG 3.32Å; F472-K474 PolarHBondContact O-N 3.36Å
475	P	96.4	Very high	96.9	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.058	15%	0.152	C	C	.	.			trans	-60.5	143.4	170.3	23.7	-31.2	0	0	0	111.1	L320 G323 V438 I439 I522	L320-P475 HydrophobicContact CD2-CG 4.08Å; G323-P475 WeakPolarHBondContact O-CB 3.41Å; V438-P475 HydrophobicContact CG2-CG 4.07Å; I439-P475 PolarHBondContact N-O 2.87Å; P475-I522 HydrophobicContact CB-CB 4.41Å; P475-I522 HydrophobicContact CB-CD1 3.9Å; P475-I522 HydrophobicContact CB-CG1 4Å; P475-I522 HydrophobicContact CB-CG2 3.55Å; P475-I522 HydrophobicContact CG-CD1 4.48Å
476	I	97.8	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.4	179.4	-55.1	-69.6	0	0	0	108.9	I439 L441 I465 W468 P520 L521 I522	I439-I476 HydrophobicContact CB-CD1 3.87Å; I439-I476 HydrophobicContact CD1-CD1 4.31Å; I439-I476 HydrophobicContact CG2-CD1 3.79Å; I439-I476 CarbonylContact O-C 3.58Å; I439-I476 WeakPolarHBondContact O-CA 3.38Å; L441-I476 HydrophobicContact CD1-CG2 3.85Å; L441-I476 HydrophobicContact CG-CG2 4.25Å; I465-I476 HydrophobicContact CG1-CG2 4.44Å; I465-I476 HydrophobicContact CG2-CB 4.28Å; I465-I476 HydrophobicContact CG2-CG1 4.18Å; I465-I476 HydrophobicContact CG2-CG2 4.12Å; W468-I476 HydrophobicContact CB-CD1 3.73Å; I476-P520 HydrophobicContact CG1-CB 4.11Å; I476-P520 HydrophobicContact CG1-CG 4.21Å; I476-P520 PolarHBondContact N-O 3.32Å; I476-L521 HydrophobicContact CG2-CD1 4.24Å; I476-L521 CarbonylContact O-C 3.59Å; I476-L521 WeakPolarHBondContact O-CA 3.33Å; I476-I522 VanDerWaalsContact O-CG1 3.25Å; I476-I522 WeakPolarHBondContact O-CG1 2.99Å; I476-I522 PolarHBondContact O-N 2.88Å
477	L	98.4	Very high	96.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.7	170.9	175.1	64.5	0	0	0	108.6	F334 I393 V438 I439 S440 L441 T479 I522 G523	F334-L477 HydrophobicContact CB-CD1 3.89Å; F334-L477 HydrophobicContact CD2-CD1 4.2Å; F334-L477 HydrophobicContact CG-CD1 4.14Å; I393-L477 HydrophobicContact CD1-CD2 3.28Å; V438-L477 HydrophobicContact CG1-CB 4.02Å; I439-L477 PolarHBondContact O-N 3.21Å; S440-L477 CarbonylContact C-O 3.06Å; S440-L477 VanDerWaalsContact CA-O 3.27Å; S440-L477 WeakPolarHBondContact CA-O 3.04Å; L441-L477 PolarHBondContact N-O 2.71Å; L477-T479 HydrophobicContact CD2-CG2 3.57Å; L477-T479 HydrophobicContact CG-CG2 3.71Å; L477-T479 PolarHBondContact O-N 3Å; L477-I522 HydrophobicContact CB-CG1 4.24Å; L477-G523 VanDerWaalsContact CD1-C 3.48Å
478	I	98.6	Very high	96	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.8	167	-62.7	-52.8	0	0	0	107.7	L441 R443 L461 I465 Y481 F513 L521 G523 E524 M525	L441-I478 HydrophobicContact CB-CD1 3.88Å; L441-I478 HydrophobicContact CD1-CD1 4.28Å; L441-I478 WeakPolarHBondContact O-CA 2.99Å; R443-I478 HydrophobicContact CG-CD1 4.49Å; L461-I478 HydrophobicContact CD1-CD1 4.32Å; I465-I478 HydrophobicContact CD1-CD1 4.12Å; I465-I478 HydrophobicContact CD1-CG1 4.3Å; I465-I478 HydrophobicContact CG1-CD1 4.19Å; I478-Y481 HydrophobicContact CG2-CD1 3.71Å; I478-Y481 HydrophobicContact CG2-CG 4.31Å; I478-F513 HydrophobicContact CB-CE1 4.42Å; I478-F513 HydrophobicContact CB-CZ 4.2Å; I478-F513 HydrophobicContact CG1-CE1 3.69Å; I478-F513 HydrophobicContact CG1-CZ 3.94Å; I478-F513 HydrophobicContact CG2-CZ 4.06Å; I478-L521 HydrophobicContact CG1-CD1 3.87Å; I478-G523 PolarHBondContact N-O 2.87Å; I478-G523 VanDerWaalsContact N-O 3.13Å; I478-E524 CarbonylContact O-C 3.58Å; I478-E524 WeakPolarHBondContact O-CA 3.42Å; I478-M525 PolarHBondContact O-N 3.29Å
479	T	98.3	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-17.6	-178.7	47.6	0	0	0	0	113.8	R371 L441 N442 L477 M525	R371-T479 PolarHBondContact NH1-OG1 2.96Å; R371-T479 VanDerWaalsContact NH1-OG1 3.1Å; L441-T479 PolarHBondContact O-N 3.14Å; L441-T479 PolarHBondContact O-OG1 3.32Å; N442-T479 PolarHBondContact OD1-OG1 3.02Å; L477-T479 HydrophobicContact CD2-CG2 3.57Å; L477-T479 HydrophobicContact CG-CG2 3.71Å; L477-T479 PolarHBondContact O-N 3Å; T479-M525 CarbonylContact C-O 3.52Å
480	E	98.5	Very high	95.7	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	133.6	172.3	-67.1	177.4	-147.5	0	0	111.5	R371 H374 N442 R443 Y444 W527	R371-E480 IonicContact CZ-OE1 3.93Å; R371-E480 IonicContact NH1-OE1 2.65Å; R371-E480 IonicContact NH2-OE1 3.53Å; R371-E480 PolarHBondContact NH2-OE1 3.2Å; H374-E480 IonicContact CE1-OE1 2.87Å; H374-E480 PolarHBondContact CE1-OE1 3.01Å; H374-E480 IonicContact NE2-OE1 2.98Å; N442-E480 HydrophobicContact CB-CB 3.88Å; N442-E480 HydrophobicContact CB-CG 4.35Å; N442-E480 VanDerWaalsContact CG-OE1 3.32Å; N442-E480 PolarHBondContact ND2-OE1 3.22Å; N442-E480 PolarHBondContact ND2-OE2 3.16Å; N442-E480 WeakPolarHBondContact OD1-CB 3.25Å; N442-E480 WeakPolarHBondContact OD1-CG 3.24Å; N442-E480 PolarHBondContact OD1-N 3.14Å; N442-E480 PolarHBondContact OD1-OE1 3.36Å; R443-E480 PolarHBondContact N-O 2.95Å; Y444-E480 HydrophobicContact CE2-CB 4.09Å; Y444-E480 WeakPolarHBondContact CE2-OE2 3.49Å; Y444-E480 PolarHBondContact OH-OE2 2.87Å; E480-W527 HydrophobicContact CB-CB 3.81Å; E480-W527 HydrophobicContact CB-CG 4.34Å; E480-W527 HydrophobicContact CG-CB 3.93Å; E480-W527 HydrophobicContact CG-CD2 3.88Å; E480-W527 HydrophobicContact CG-CE3 3.61Å; E480-W527 HydrophobicContact CG-CG 4.06Å; E480-W527 HydrophobicContact CG-CZ3 4.35Å
481	Y	98.7	Very high	95.8	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.206	C	C	.	.			trans	-157.9	146.6	164.4	67.8	-73.7	0	0	0	109	R443 I478 F506 C509 H510 F513 E524 M525 V526 W527	R443-Y481 WeakPolarHBondContact O-CA 3.15Å; I478-Y481 HydrophobicContact CG2-CD1 3.71Å; I478-Y481 HydrophobicContact CG2-CG 4.31Å; Y481-F506 AromaticContact CD2-CD1 3.81Å; Y481-F506 HydrophobicContact CD2-CD1 3.81Å; Y481-F506 HydrophobicContact CD2-CE1 4.06Å; Y481-F506 AromaticContact CE2-CD1 3.56Å; Y481-F506 HydrophobicContact CE2-CD1 3.56Å; Y481-F506 AromaticContact CE2-CE1 3.98Å; Y481-F506 HydrophobicContact CE2-CE1 3.98Å; Y481-C509 HydrophobicContact CD2-CB 3.86Å; Y481-C509 HydrophobicContact CE2-CB 4.11Å; Y481-H510 AromaticContact CE2-NE2 3.64Å; Y481-H510 AromaticContact CZ-NE2 3.74Å; Y481-H510 PolarHBondContact OH-NE2 3.46Å; Y481-F513 HydrophobicContact CD1-CE2 4.14Å; Y481-F513 HydrophobicContact CD1-CZ 4.29Å; Y481-F513 HydrophobicContact CD2-CE2 4.15Å; Y481-F513 HydrophobicContact CD2-CZ 4.44Å; Y481-F513 AromaticContact CE1-CE2 3.88Å; Y481-F513 HydrophobicContact CE1-CE2 3.88Å; Y481-F513 HydrophobicContact CE1-CZ 4.46Å; Y481-F513 AromaticContact CE2-CE2 3.88Å; Y481-F513 HydrophobicContact CE2-CE2 3.88Å; Y481-F513 HydrophobicContact CG-CE2 4.27Å; Y481-F513 HydrophobicContact CG-CZ 4.28Å; Y481-F513 AromaticContact CZ-CE2 3.74Å; Y481-E524 HydrophobicContact CE1-CB 4.08Å; Y481-M525 VanDerWaalsContact CD1-O 3.27Å; Y481-M525 WeakPolarHBondContact CD1-O 3.43Å; Y481-M525 VanDerWaalsContact CE1-C 3.45Å; Y481-M525 WeakPolarHBondContact CE1-O 3.28Å; Y481-V526 HydrophobicContact CE1-CB 4.34Å; Y481-V526 HydrophobicContact CE1-CG2 3.82Å; Y481-V526 HydrophobicContact CE2-CG2 4.08Å; Y481-V526 VanDerWaalsContact CZ-CG2 3.41Å; Y481-V526 WeakPolarHBondContact OH-CG2 3.35Å; Y481-W527 PolarHBondContact O-N 3.19Å
482	G	98.3	Very high	95.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	22%	0.216	C	C	.	.			trans	159.6	-176.8	179.5	0	0	0	0	0	113.2	Y444	Y444-G482 WeakPolarHBondContact CD1-O 3.49Å
483	A	98.3	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.			trans	-143.4	147.1	178.3	0	0	0	0	0	109.4	W447 T485 Y501 Q502 V505 K546	W447-A483 HydrophobicContact CD2-CB 4.01Å; W447-A483 HydrophobicContact CE3-CB 3.53Å; W447-A483 HydrophobicContact CZ3-CB 3.92Å; A483-T485 PolarHBondContact O-OG1 3.27Å; A483-Y501 HydrophobicContact CB-CD1 4.28Å; A483-Y501 HydrophobicContact CB-CE1 4.48Å; A483-Q502 HydrophobicContact CB-CG 4.4Å; A483-Q502 PolarHBondContact O-NE2 3.49Å; A483-V505 HydrophobicContact CB-CG2 4.26Å; A483-K546 WeakPolarHBondContact O-CA 3.25Å
484	D	98.3	Very high	95.8	Very high	5 Å²	5	38 Å²	38	3%	0.027	21%	0.212	C	C	.	.			trans	-66.7	146.9	174.9	-70	-86	0	0	0	109.6	W447 F497 R545 K546	W447-D484 HydrophobicContact CH2-CB 3.83Å; W447-D484 HydrophobicContact CZ2-CB 3.51Å; W447-D484 VanDerWaalsContact CZ2-OD2 3.24Å; W447-D484 WeakPolarHBondContact CZ2-OD2 3.35Å; W447-D484 PolarHBondContact NE1-OD2 3.31Å; D484-F497 HydrophobicContact CB-CD1 3.7Å; D484-F497 HydrophobicContact CB-CE1 3.71Å; D484-F497 WeakPolarHBondContact O-CA 3.42Å; D484-R545 HydrophobicContact CB-CB 4.08Å; D484-R545 WeakPolarHBondContact OD1-CA 3.34Å; D484-R545 WeakPolarHBondContact OD1-CB 3.32Å; D484-R545 PolarHBondContact OD1-N 3.32Å; D484-K546 HydrophobicContact CB-CG 4.33Å; D484-K546 PolarHBondContact OD1-N 2.88Å; D484-K546 IonicContact OD1-NZ 3.64Å; D484-K546 WeakPolarHBondContact OD2-CE 3.42Å; D484-K546 IonicContact OD2-NZ 3.85Å; D484-K546 PolarHBondContact OD2-NZ 3.33Å
485	T	97.7	Very high	96	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-152.6	137.9	-172.3	-59.8	0	0	0	0	113	A483 F497 P499 Q502 R545 K556	A483-T485 PolarHBondContact O-OG1 3.27Å; T485-F497 WeakPolarHBondContact CA-O 3.35Å; T485-P499 HydrophobicContact CG2-CB 4.18Å; T485-P499 HydrophobicContact CG2-CG 4.08Å; T485-Q502 HydrophobicContact CG2-CB 4.21Å; T485-Q502 WeakPolarHBondContact OG1-CB 3.44Å; T485-Q502 WeakPolarHBondContact OG1-CG 3.3Å; T485-Q502 PolarHBondContact OG1-NE2 2.69Å; T485-Q502 PolarHBondContact OG1-OE1 3.48Å; T485-R545 PolarHBondContact N-O 2.79Å; T485-K556 PolarHBondContact O-NZ 2.72Å
486	F	95	Very high	96	Very high	35 Å²	35	41.7 Å²	41.7	15%	0.154	23%	0.234	C	C	.	.			trans	-126.3	118	170.8	-47.5	-93.1	0	0	0	109.8	S488 L489 F497 V541 R545	F486-S488 PolarHBondContact O-N 3.24Å; F486-S488 VanDerWaalsContact O-N 3.15Å; F486-L489 HydrophobicContact CB-CB 4.36Å; F486-L489 HydrophobicContact CB-CD1 4.01Å; F486-L489 HydrophobicContact CB-CG 3.96Å; F486-L489 HydrophobicContact CD2-CD1 3.71Å; F486-L489 HydrophobicContact CE2-CD1 4.5Å; F486-L489 HydrophobicContact CG-CD1 4.11Å; F486-L489 PolarHBondContact O-N 3.18Å; F486-F497 HydrophobicContact CD2-CB 3.88Å; F486-F497 HydrophobicContact CD2-CD1 4.17Å; F486-F497 HydrophobicContact CD2-CG 4.43Å; F486-F497 HydrophobicContact CE2-CB 3.98Å; F486-F497 AromaticContact CE2-CD1 3.46Å; F486-F497 HydrophobicContact CE2-CD1 3.46Å; F486-F497 VanDerWaalsContact CE2-CD1 3.46Å; F486-F497 HydrophobicContact CE2-CE1 4.22Å; F486-F497 HydrophobicContact CE2-CG 4.02Å; F486-F497 HydrophobicContact CZ-CD1 4.4Å; F486-F497 PolarHBondContact N-O 3.23Å; F486-V541 HydrophobicContact CE1-CB 3.78Å; F486-V541 HydrophobicContact CE1-CG1 3.77Å; F486-V541 HydrophobicContact CE1-CG2 4.38Å; F486-V541 HydrophobicContact CE2-CG2 4.48Å; F486-V541 HydrophobicContact CZ-CB 3.52Å; F486-V541 HydrophobicContact CZ-CG1 3.9Å; F486-V541 HydrophobicContact CZ-CG2 3.66Å; F486-R545 HydrophobicContact CD1-CG 4.42Å; F486-R545 HydrophobicContact CE1-CB 4.19Å; F486-R545 HydrophobicContact CE1-CG 3.59Å; F486-R545 HydrophobicContact CZ-CB 4.19Å; F486-R545 HydrophobicContact CZ-CG 3.84Å
487	D	84.4	Confident	96	Very high	48 Å²	48	45.2 Å²	45.2	26%	0.257	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.8	-178	-64.8	-10.5	0	0	0	114	L489 P499 Y550	D487-L489 PolarHBondContact O-N 2.65Å; D487-P499 VanDerWaalsContact CA-CG 3.48Å; D487-P499 HydrophobicContact CB-CG 4.13Å; D487-P499 WeakPolarHBondContact OD1-CG 3.2Å; D487-Y550 WeakPolarHBondContact CB-OH 3.37Å; D487-Y550 PolarHBondContact OD2-OH 3.31Å
488	S	90.3	Very high	96	Very high	110 Å²	110	45.1 Å²	45.1	77%	0.769	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-69.6	-11.7	172.9	55.9	0	0	0	0	114	F486	F486-S488 PolarHBondContact O-N 3.24Å; F486-S488 VanDerWaalsContact O-N 3.15Å
489	L	92.9	Very high	95.9	Very high	94 Å²	94	45.2 Å²	45.2	49%	0.492	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-108.3	38	-178.3	-57.7	-176.1	0	0	0	112.3	F486 D487 F491 S498	F486-L489 HydrophobicContact CB-CB 4.36Å; F486-L489 HydrophobicContact CB-CD1 4.01Å; F486-L489 HydrophobicContact CB-CG 3.96Å; F486-L489 HydrophobicContact CD2-CD1 3.71Å; F486-L489 HydrophobicContact CE2-CD1 4.5Å; F486-L489 HydrophobicContact CG-CD1 4.11Å; F486-L489 PolarHBondContact O-N 3.18Å; D487-L489 PolarHBondContact O-N 2.65Å; L489-F491 PolarHBondContact O-N 3.3Å; L489-S498 WeakPolarHBondContact O-CA 3.31Å; L489-S498 VanDerWaalsContact O-CB 3.25Å; L489-S498 WeakPolarHBondContact O-CB 3.39Å
490	S	93.6	Very high	95.9	Very high	79 Å²	79	46.9 Å²	46.9	55%	0.552	26%	0.258	S	S	*	.			trans	-59.6	134.7	174.5	-170.7	0	0	0	0	111.5	Q500	S490-Q500 PolarHBondContact OG-NE2 2.83Å; S490-Q500 PolarHBondContact OG-OE1 3.34Å
491	F	95.6	Very high	95.9	Very high	114 Å²	114	46.3 Å²	46.3	50%	0.5	26%	0.255	S	S	.	.			trans	-157.9	145.4	-174.8	-166	-88.2	0	0	0	110.4	L489 P493 V495 Q500	L489-F491 PolarHBondContact O-N 3.3Å; F491-P493 WeakPolarHBondContact CD1-O 3.48Å; F491-V495 HydrophobicContact CB-CG2 3.85Å; F491-V495 HydrophobicContact CD1-CB 4.31Å; F491-V495 HydrophobicContact CD1-CG1 3.76Å; F491-V495 HydrophobicContact CD1-CG2 3.61Å; F491-V495 HydrophobicContact CE1-CG1 3.92Å; F491-V495 HydrophobicContact CE1-CG2 4.42Å; F491-V495 HydrophobicContact CG-CG2 3.87Å; F491-Q500 VanDerWaalsContact N-OE1 3.16Å; F491-Q500 PolarHBondContact O-OE1 2.99Å
492	E	94.6	Very high	95.8	Very high	136 Å²	136	46.3 Å²	46.3	64%	0.636	26%	0.255	S	S	*	.	S	Bend	trans	-138.5	132.9	178	-173.1	63.4	-141.5	0	0	109.1
493	P	95.4	Very high	95.8	Very high	95 Å²	95	47.7 Å²	47.7	62%	0.617	26%	0.262	S	S	*	.	S	Bend	cis	-55.5	148.6	-5.1	-24.3	35.2	0	0	0	113.4	F491 V495	F491-P493 WeakPolarHBondContact CD1-O 3.48Å; P493-V495 PolarHBondContact O-N 3.44Å
494	A	96.9	Very high	95.8	Very high	17 Å²	17	50.9 Å²	50.9	14%	0.14	28%	0.277	C	S	.	.			trans	-51.4	130.2	-177.3	0	0	0	0	0	112.1	Q500 Y501 E504	A494-Q500 HydrophobicContact CB-CB 3.71Å; A494-Y501 HydrophobicContact CB-CD2 4.42Å; A494-E504 VanDerWaalsContact CB-CD 3.48Å; A494-E504 HydrophobicContact CB-CG 4.3Å; A494-E504 WeakPolarHBondContact CB-OE1 3.36Å
495	V	97.1	Very high	95.8	Very high	66 Å²	66	50.8 Å²	50.8	40%	0.4	28%	0.276	S	S	.	.			trans	-125.5	154.7	175.3	-64.9	0	0	0	0	110.7	F491 P493 F497 S498 Y501	F491-V495 HydrophobicContact CB-CG2 3.85Å; F491-V495 HydrophobicContact CD1-CB 4.31Å; F491-V495 HydrophobicContact CD1-CG1 3.76Å; F491-V495 HydrophobicContact CD1-CG2 3.61Å; F491-V495 HydrophobicContact CE1-CG1 3.92Å; F491-V495 HydrophobicContact CE1-CG2 4.42Å; F491-V495 HydrophobicContact CG-CG2 3.87Å; P493-V495 PolarHBondContact O-N 3.44Å; V495-F497 PolarHBondContact O-N 2.53Å; V495-S498 PolarHBondContact N-OG 2.99Å; V495-S498 VanDerWaalsContact O-CB 3.24Å; V495-S498 WeakPolarHBondContact O-CB 3.3Å; V495-S498 PolarHBondContact O-N 3.12Å; V495-S498 PolarHBondContact O-OG 2.87Å; V495-Y501 WeakPolarHBondContact O-CB 3.19Å
496	M	97.7	Very high	95.8	Very high	57 Å²	57	50.7 Å²	50.7	28%	0.281	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	141.1	177.4	-66.9	179.8	74.4	0	0	111.5	W447 P451 S498 Y501	W447-M496 HydrophobicContact CD2-CE 4.04Å; W447-M496 HydrophobicContact CE3-CE 3.62Å; W447-M496 HydrophobicContact CE3-CG 4.48Å; W447-M496 HydrophobicContact CH2-CB 4.29Å; W447-M496 HydrophobicContact CH2-CE 3.9Å; W447-M496 HydrophobicContact CZ2-CE 4.28Å; W447-M496 HydrophobicContact CZ3-CB 3.8Å; W447-M496 HydrophobicContact CZ3-CE 3.56Å; W447-M496 HydrophobicContact CZ3-CG 4.04Å; P451-M496 HydrophobicContact CB-CE 3.85Å; P451-M496 HydrophobicContact CB-SD 3.7Å; M496-S498 PolarHBondContact O-N 2.95Å; M496-Y501 HydrophobicContact CG-CE1 4.04Å; M496-Y501 HydrophobicContact CG-CE2 4.21Å
497	F	97.2	Very high	96	Very high	75 Å²	75	51 Å²	51	33%	0.329	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	73.9	-13	-174.7	-54.2	-79.8	0	0	0	117	W447 D484 T485 F486 V495	W447-F497 AromaticContact CH2-CD1 3.55Å; W447-F497 HydrophobicContact CH2-CD1 3.55Å; W447-F497 HydrophobicContact CH2-CD2 4.06Å; W447-F497 AromaticContact CH2-CE1 3.47Å; W447-F497 HydrophobicContact CH2-CE1 3.47Å; W447-F497 VanDerWaalsContact CH2-CE1 3.47Å; W447-F497 AromaticContact CH2-CE2 3.95Å; W447-F497 HydrophobicContact CH2-CE2 3.95Å; W447-F497 AromaticContact CH2-CG 3.88Å; W447-F497 HydrophobicContact CH2-CG 3.88Å; W447-F497 AromaticContact CH2-CZ 3.67Å; W447-F497 HydrophobicContact CH2-CZ 3.67Å; W447-F497 HydrophobicContact CZ2-CD1 4.08Å; W447-F497 AromaticContact CZ2-CE1 3.56Å; W447-F497 HydrophobicContact CZ2-CE1 3.56Å; W447-F497 HydrophobicContact CZ2-CE2 4.44Å; W447-F497 AromaticContact CZ2-CZ 3.76Å; W447-F497 HydrophobicContact CZ2-CZ 3.76Å; D484-F497 HydrophobicContact CB-CD1 3.7Å; D484-F497 HydrophobicContact CB-CE1 3.71Å; D484-F497 WeakPolarHBondContact O-CA 3.42Å; T485-F497 WeakPolarHBondContact CA-O 3.35Å; F486-F497 HydrophobicContact CD2-CB 3.88Å; F486-F497 HydrophobicContact CD2-CD1 4.17Å; F486-F497 HydrophobicContact CD2-CG 4.43Å; F486-F497 HydrophobicContact CE2-CB 3.98Å; F486-F497 AromaticContact CE2-CD1 3.46Å; F486-F497 HydrophobicContact CE2-CD1 3.46Å; F486-F497 VanDerWaalsContact CE2-CD1 3.46Å; F486-F497 HydrophobicContact CE2-CE1 4.22Å; F486-F497 HydrophobicContact CE2-CG 4.02Å; F486-F497 HydrophobicContact CZ-CD1 4.4Å; F486-F497 PolarHBondContact N-O 3.23Å; V495-F497 PolarHBondContact O-N 2.53Å
498	S	97.7	Very high	96.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	28%	0.281	C	S	.	.	S	Bend	trans	-74.7	152.7	171.4	71.7	0	0	0	0	111.8	L489 V495 M496 Q500 Y501 Q502	L489-S498 WeakPolarHBondContact O-CA 3.31Å; L489-S498 VanDerWaalsContact O-CB 3.25Å; L489-S498 WeakPolarHBondContact O-CB 3.39Å; V495-S498 PolarHBondContact N-OG 2.99Å; V495-S498 VanDerWaalsContact O-CB 3.24Å; V495-S498 WeakPolarHBondContact O-CB 3.3Å; V495-S498 PolarHBondContact O-N 3.12Å; V495-S498 PolarHBondContact O-OG 2.87Å; M496-S498 PolarHBondContact O-N 2.95Å; S498-Q500 VanDerWaalsContact C-N 3.25Å; S498-Q500 PolarHBondContact O-N 2.73Å; S498-Y501 WeakPolarHBondContact O-CB 3.24Å; S498-Y501 PolarHBondContact O-N 2.96Å; S498-Y501 WeakPolarHBondContact OG-CB 3.35Å; S498-Y501 PolarHBondContact OG-N 2.84Å; S498-Q502 PolarHBondContact O-N 3.37Å
499	P	97.6	Very high	97	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-36.1	173.4	-25.6	37.5	0	0	0	113.3	T485 D487 Y501 Q502 I503	T485-P499 HydrophobicContact CG2-CB 4.18Å; T485-P499 HydrophobicContact CG2-CG 4.08Å; D487-P499 VanDerWaalsContact CA-CG 3.48Å; D487-P499 HydrophobicContact CB-CG 4.13Å; D487-P499 WeakPolarHBondContact OD1-CG 3.2Å; P499-Y501 VanDerWaalsContact C-N 3.28Å; P499-Y501 PolarHBondContact O-N 2.91Å; P499-Q502 PolarHBondContact O-N 3.15Å; P499-I503 WeakPolarHBondContact O-CG1 3.24Å; P499-I503 PolarHBondContact O-N 3.27Å; P499-I503 VanDerWaalsContact O-N 3.15Å
500	Q	97.7	Very high	97.3	Very high	34 Å²	34	42.5 Å²	42.5	16%	0.159	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-44.8	176.6	-70.8	65.1	50.9	0	0	110.2	S490 F491 A494 S498 Q502 I503 E504	S490-Q500 PolarHBondContact OG-NE2 2.83Å; S490-Q500 PolarHBondContact OG-OE1 3.34Å; F491-Q500 VanDerWaalsContact N-OE1 3.16Å; F491-Q500 PolarHBondContact O-OE1 2.99Å; A494-Q500 HydrophobicContact CB-CB 3.71Å; S498-Q500 VanDerWaalsContact C-N 3.25Å; S498-Q500 PolarHBondContact O-N 2.73Å; Q500-Q502 PolarHBondContact O-N 2.61Å; Q500-I503 WeakPolarHBondContact O-CB 3.41Å; Q500-I503 PolarHBondContact O-N 2.63Å; Q500-E504 PolarHBondContact O-N 2.76Å
501	Y	98.2	Very high	97.5	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-38.5	179.9	-167	-89.9	0	0	0	113.3	G446 W447 G452 H453 P454 A483 A494 V495 M496 S498 P499 I503 E504 V505	G446-Y501 PolarHBondContact O-OH 3.05Å; W447-Y501 HydrophobicContact CE3-CD1 4.4Å; W447-Y501 AromaticContact CE3-CE1 3.93Å; W447-Y501 HydrophobicContact CE3-CE1 3.93Å; W447-Y501 HydrophobicContact CZ3-CD1 4.26Å; W447-Y501 HydrophobicContact CZ3-CE1 4.16Å; G452-Y501 VanDerWaalsContact C-OH 3.26Å; G452-Y501 WeakPolarHBondContact CA-OH 3.43Å; G452-Y501 PolarHBondContact N-OH 3.37Å; H453-Y501 PolarHBondContact N-OH 3.23Å; P454-Y501 HydrophobicContact CG-CE2 4.03Å; A483-Y501 HydrophobicContact CB-CD1 4.28Å; A483-Y501 HydrophobicContact CB-CE1 4.48Å; A494-Y501 HydrophobicContact CB-CD2 4.42Å; V495-Y501 WeakPolarHBondContact O-CB 3.19Å; M496-Y501 HydrophobicContact CG-CE1 4.04Å; M496-Y501 HydrophobicContact CG-CE2 4.21Å; S498-Y501 WeakPolarHBondContact O-CB 3.24Å; S498-Y501 PolarHBondContact O-N 2.96Å; S498-Y501 WeakPolarHBondContact OG-CB 3.35Å; S498-Y501 PolarHBondContact OG-N 2.84Å; P499-Y501 VanDerWaalsContact C-N 3.28Å; P499-Y501 PolarHBondContact O-N 2.91Å; Y501-I503 VanDerWaalsContact C-N 3.28Å; Y501-I503 PolarHBondContact O-N 2.81Å; Y501-E504 PolarHBondContact O-N 3.26Å; Y501-V505 HydrophobicContact CD1-CG2 3.88Å; Y501-V505 HydrophobicContact CE1-CG2 3.51Å; Y501-V505 WeakPolarHBondContact O-CG2 3.05Å; Y501-V505 PolarHBondContact O-N 2.91Å
502	Q	98.3	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-43.2	174.1	-149.1	-174.4	32.9	0	0	111.5	A483 T485 S498 P499 Q500 F506 K546 S558	A483-Q502 HydrophobicContact CB-CG 4.4Å; A483-Q502 PolarHBondContact O-NE2 3.49Å; T485-Q502 HydrophobicContact CG2-CB 4.21Å; T485-Q502 WeakPolarHBondContact OG1-CB 3.44Å; T485-Q502 WeakPolarHBondContact OG1-CG 3.3Å; T485-Q502 PolarHBondContact OG1-NE2 2.69Å; T485-Q502 PolarHBondContact OG1-OE1 3.48Å; S498-Q502 PolarHBondContact O-N 3.37Å; P499-Q502 PolarHBondContact O-N 3.15Å; Q500-Q502 PolarHBondContact O-N 2.61Å; Q502-F506 HydrophobicContact CG-CD2 4.26Å; Q502-F506 HydrophobicContact CG-CE2 3.67Å; Q502-F506 HydrophobicContact CG-CZ 4.07Å; Q502-F506 WeakPolarHBondContact O-CD2 3.3Å; Q502-F506 WeakPolarHBondContact O-CG 3.3Å; Q502-F506 PolarHBondContact O-N 3.24Å; Q502-K546 PolarHBondContact NE2-O 3.32Å; Q502-S558 PolarHBondContact OE1-OG 3.04Å
503	I	97.6	Very high	97.8	Very high	30 Å²	30	32.6 Å²	32.6	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-41.9	178.6	-67.1	165.5	0	0	0	110.5	P499 Q500 Y501 F506 S507 Q557 I561	P499-I503 WeakPolarHBondContact O-CG1 3.24Å; P499-I503 PolarHBondContact O-N 3.27Å; P499-I503 VanDerWaalsContact O-N 3.15Å; Q500-I503 WeakPolarHBondContact O-CB 3.41Å; Q500-I503 PolarHBondContact O-N 2.63Å; Y501-I503 VanDerWaalsContact C-N 3.28Å; Y501-I503 PolarHBondContact O-N 2.81Å; I503-F506 PolarHBondContact O-N 2.92Å; I503-S507 WeakPolarHBondContact O-CB 3.19Å; I503-S507 PolarHBondContact O-N 3.41Å; I503-S507 PolarHBondContact O-OG 3.45Å; I503-Q557 HydrophobicContact CD1-CB 4.31Å; I503-Q557 HydrophobicContact CD1-CG 3.83Å; I503-I561 HydrophobicContact CG1-CG1 4.31Å; I503-I561 HydrophobicContact CG2-CG1 4.28Å
504	E	97.8	Very high	97.9	Very high	68 Å²	68	32.1 Å²	32.1	32%	0.318	16%	0.159	S	C	.	.	H	α-helix	trans	-61.1	-51	175.5	-74.5	-170.9	175.4	0	0	111.6	P454 A494 Q500 Y501 F506 S507 Y508	P454-E504 HydrophobicContact CG-CB 4.37Å; A494-E504 VanDerWaalsContact CB-CD 3.48Å; A494-E504 HydrophobicContact CB-CG 4.3Å; A494-E504 WeakPolarHBondContact CB-OE1 3.36Å; Q500-E504 PolarHBondContact O-N 2.76Å; Y501-E504 PolarHBondContact O-N 3.26Å; E504-F506 VanDerWaalsContact C-N 3.31Å; E504-F506 PolarHBondContact O-N 3.02Å; E504-S507 WeakPolarHBondContact O-CA 3.38Å; E504-S507 WeakPolarHBondContact O-CB 3.39Å; E504-S507 PolarHBondContact O-N 3.22Å; E504-Y508 VanDerWaalsContact O-CD2 3.24Å; E504-Y508 WeakPolarHBondContact O-CD2 3.16Å; E504-Y508 PolarHBondContact O-N 2.82Å
505	V	98.5	Very high	97.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-53.9	-48.7	177.2	168.2	0	0	0	0	110.9	P454 I457 A483 Y501 S507 Y508 C509	P454-V505 HydrophobicContact CB-CG2 4.15Å; I457-V505 HydrophobicContact CD1-CB 4.32Å; I457-V505 HydrophobicContact CD1-CG1 4.09Å; I457-V505 HydrophobicContact CD1-CG2 4.27Å; A483-V505 HydrophobicContact CB-CG2 4.26Å; Y501-V505 HydrophobicContact CD1-CG2 3.88Å; Y501-V505 HydrophobicContact CE1-CG2 3.51Å; Y501-V505 WeakPolarHBondContact O-CG2 3.05Å; Y501-V505 PolarHBondContact O-N 2.91Å; V505-S507 VanDerWaalsContact C-N 3.34Å; V505-S507 PolarHBondContact O-N 2.89Å; V505-Y508 PolarHBondContact O-N 3.03Å; V505-C509 WeakPolarHBondContact O-CB 3.44Å; V505-C509 PolarHBondContact O-N 3.2Å; V505-C509 PolarHBondContact O-SG 3.48Å; V505-C509 VanDerWaalsContact O-SG 3.36Å
506	F	98.5	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-44.6	176.1	-68.8	-34.6	0	0	0	111.9	Y481 Q502 I503 E504 Y508 C509 H510 V526 V548 I562	Y481-F506 AromaticContact CD2-CD1 3.81Å; Y481-F506 HydrophobicContact CD2-CD1 3.81Å; Y481-F506 HydrophobicContact CD2-CE1 4.06Å; Y481-F506 AromaticContact CE2-CD1 3.56Å; Y481-F506 HydrophobicContact CE2-CD1 3.56Å; Y481-F506 AromaticContact CE2-CE1 3.98Å; Y481-F506 HydrophobicContact CE2-CE1 3.98Å; Q502-F506 HydrophobicContact CG-CD2 4.26Å; Q502-F506 HydrophobicContact CG-CE2 3.67Å; Q502-F506 HydrophobicContact CG-CZ 4.07Å; Q502-F506 WeakPolarHBondContact O-CD2 3.3Å; Q502-F506 WeakPolarHBondContact O-CG 3.3Å; Q502-F506 PolarHBondContact O-N 3.24Å; I503-F506 PolarHBondContact O-N 2.92Å; E504-F506 VanDerWaalsContact C-N 3.31Å; E504-F506 PolarHBondContact O-N 3.02Å; F506-Y508 PolarHBondContact O-N 2.53Å; F506-C509 PolarHBondContact O-N 3.12Å; F506-H510 VanDerWaalsContact O-CB 3.3Å; F506-H510 WeakPolarHBondContact O-CB 3.33Å; F506-H510 PolarHBondContact O-CD2 3.49Å; F506-H510 PolarHBondContact O-N 3.11Å; F506-H510 PolarHBondContact O-ND1 3.27Å; F506-V526 HydrophobicContact CE1-CG1 3.88Å; F506-V526 HydrophobicContact CE1-CG2 4.41Å; F506-V526 HydrophobicContact CZ-CG1 3.75Å; F506-V548 HydrophobicContact CE2-CG1 3.81Å; F506-V548 HydrophobicContact CZ-CG1 3.83Å; F506-I562 HydrophobicContact CB-CD1 4.45Å; F506-I562 HydrophobicContact CD1-CD1 4.45Å; F506-I562 HydrophobicContact CD2-CD1 3.94Å; F506-I562 HydrophobicContact CD2-CG1 4.49Å; F506-I562 HydrophobicContact CE2-CD1 4.25Å; F506-I562 HydrophobicContact CE2-CG1 4.45Å; F506-I562 HydrophobicContact CG-CD1 4.05Å
507	S	98.1	Very high	97.6	Very high	40 Å²	40	33.8 Å²	33.8	28%	0.28	17%	0.171	S	C	.	.	H	α-helix	trans	-60.7	-44	-179.7	-59.2	0	0	0	0	112.7	I503 E504 V505 R511	I503-S507 WeakPolarHBondContact O-CB 3.19Å; I503-S507 PolarHBondContact O-N 3.41Å; I503-S507 PolarHBondContact O-OG 3.45Å; E504-S507 WeakPolarHBondContact O-CA 3.38Å; E504-S507 WeakPolarHBondContact O-CB 3.39Å; E504-S507 PolarHBondContact O-N 3.22Å; V505-S507 VanDerWaalsContact C-N 3.34Å; V505-S507 PolarHBondContact O-N 2.89Å; S507-R511 WeakPolarHBondContact O-CG 3.37Å; S507-R511 PolarHBondContact O-N 3.06Å
508	Y	98.4	Very high	97.1	Very high	57 Å²	57	34.6 Å²	34.6	22%	0.224	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-44.4	176	-79	-83.9	0	0	0	111.8	P454 E455 E458 E504 V505 F506 H510 R511 V512	P454-Y508 HydrophobicContact CB-CD2 3.78Å; P454-Y508 HydrophobicContact CB-CE2 4.01Å; P454-Y508 HydrophobicContact CG-CD2 4.44Å; P454-Y508 HydrophobicContact CG-CE2 4.18Å; P454-Y508 WeakPolarHBondContact O-CD1 3.37Å; P454-Y508 WeakPolarHBondContact O-CD2 3.43Å; P454-Y508 VanDerWaalsContact O-CG 3.26Å; E455-Y508 HydrophobicContact CB-CE1 4.18Å; E458-Y508 HydrophobicContact CG-CD1 3.98Å; E458-Y508 VanDerWaalsContact OE1-CD1 3.22Å; E458-Y508 WeakPolarHBondContact OE1-CD1 3.48Å; E504-Y508 VanDerWaalsContact O-CD2 3.24Å; E504-Y508 WeakPolarHBondContact O-CD2 3.16Å; E504-Y508 PolarHBondContact O-N 2.82Å; V505-Y508 PolarHBondContact O-N 3.03Å; F506-Y508 PolarHBondContact O-N 2.53Å; Y508-H510 VanDerWaalsContact C-N 3.33Å; Y508-H510 PolarHBondContact O-N 2.95Å; Y508-R511 VanDerWaalsContact CG-NH2 3.3Å; Y508-R511 PolarHBondContact O-N 2.8Å; Y508-V512 PolarHBondContact O-N 3.39Å
509	C	98.5	Very high	96.7	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.034	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-46.3	175.7	-74.2	0	0	0	0	111.5	I457 L461 Y481 V505 F506 R511 V512 F513	I457-C509 HydrophobicContact CG2-CB 4.49Å; L461-C509 HydrophobicContact CD2-CB 4.38Å; Y481-C509 HydrophobicContact CD2-CB 3.86Å; Y481-C509 HydrophobicContact CE2-CB 4.11Å; V505-C509 WeakPolarHBondContact O-CB 3.44Å; V505-C509 PolarHBondContact O-N 3.2Å; V505-C509 PolarHBondContact O-SG 3.48Å; V505-C509 VanDerWaalsContact O-SG 3.36Å; F506-C509 PolarHBondContact O-N 3.12Å; C509-R511 VanDerWaalsContact C-N 3.33Å; C509-R511 PolarHBondContact O-N 3Å; C509-V512 WeakPolarHBondContact O-CB 3.29Å; C509-V512 PolarHBondContact O-N 2.92Å; C509-V512 VanDerWaalsContact O-N 3.12Å; C509-F513 HydrophobicContact CB-CD2 4.48Å; C509-F513 HydrophobicContact CB-CE2 3.81Å; C509-F513 HydrophobicContact CB-CZ 3.87Å; C509-F513 WeakPolarHBondContact O-CD1 3.48Å; C509-F513 WeakPolarHBondContact O-CD2 3.46Å; C509-F513 WeakPolarHBondContact O-CG 3.08Å; C509-F513 PolarHBondContact O-N 2.87Å
510	H	98.4	Very high	96.6	Very high	13 Å²	13	40.8 Å²	40.8	6%	0.06	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-37.1	-178.4	-67.8	166.1	0	0	0	112.7	Y481 F506 Y508 V512 F513 D514 R565	Y481-H510 AromaticContact CE2-NE2 3.64Å; Y481-H510 AromaticContact CZ-NE2 3.74Å; Y481-H510 PolarHBondContact OH-NE2 3.46Å; F506-H510 VanDerWaalsContact O-CB 3.3Å; F506-H510 WeakPolarHBondContact O-CB 3.33Å; F506-H510 PolarHBondContact O-CD2 3.49Å; F506-H510 PolarHBondContact O-N 3.11Å; F506-H510 PolarHBondContact O-ND1 3.27Å; Y508-H510 VanDerWaalsContact C-N 3.33Å; Y508-H510 PolarHBondContact O-N 2.95Å; H510-V512 VanDerWaalsContact C-N 3.34Å; H510-V512 PolarHBondContact O-N 2.9Å; H510-F513 AromaticContact CD2-CD2 3.95Å; H510-F513 PolarHBondContact O-N 3.49Å; H510-D514 WeakPolarHBondContact O-CB 3.41Å; H510-D514 PolarHBondContact O-N 3.14Å; H510-R565 PolarHBondContact CD2-NE 3.21Å; H510-R565 WeakPolarHBondContact CE1-CD 3.47Å; H510-R565 WeakPolarHBondContact ND1-CD 3.39Å; H510-R565 WeakPolarHBondContact NE2-CD 3.42Å
511	R	98	Very high	96.6	Very high	115 Å²	115	39.2 Å²	39.2	43%	0.434	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-39.2	173.8	-72.3	-168	-63.8	-93.6	7.3	112.7	E458 S507 Y508 C509 S515	E458-R511 IonicContact OE1-CZ 3.89Å; E458-R511 IonicContact OE1-NE 3.97Å; E458-R511 PolarHBondContact OE1-NE 3.34Å; E458-R511 IonicContact OE1-NH2 2.7Å; E458-R511 PolarHBondContact OE1-NH2 2.84Å; S507-R511 WeakPolarHBondContact O-CG 3.37Å; S507-R511 PolarHBondContact O-N 3.06Å; Y508-R511 VanDerWaalsContact CG-NH2 3.3Å; Y508-R511 PolarHBondContact O-N 2.8Å; C509-R511 VanDerWaalsContact C-N 3.33Å; C509-R511 PolarHBondContact O-N 3Å; R511-S515 PolarHBondContact O-N 2.86Å
512	V	98.3	Very high	96.5	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-47.8	172.6	179.4	0	0	0	0	110.4	E458 L461 I465 Y508 C509 H510 D514 S515 L516	E458-V512 VanDerWaalsContact CA-CG2 3.47Å; E458-V512 HydrophobicContact CB-CG2 4.3Å; E458-V512 HydrophobicContact CG-CG2 4.07Å; L461-V512 HydrophobicContact CB-CG1 4.47Å; L461-V512 HydrophobicContact CD2-CB 4.47Å; L461-V512 HydrophobicContact CD2-CG1 4.48Å; L461-V512 HydrophobicContact CG-CG1 4.17Å; I465-V512 HydrophobicContact CD1-CG1 4.25Å; Y508-V512 PolarHBondContact O-N 3.39Å; C509-V512 WeakPolarHBondContact O-CB 3.29Å; C509-V512 PolarHBondContact O-N 2.92Å; C509-V512 VanDerWaalsContact O-N 3.12Å; H510-V512 VanDerWaalsContact C-N 3.34Å; H510-V512 PolarHBondContact O-N 2.9Å; V512-D514 VanDerWaalsContact C-N 3.33Å; V512-D514 PolarHBondContact O-N 2.8Å; V512-S515 PolarHBondContact O-N 2.81Å; V512-S515 VanDerWaalsContact O-N 3.12Å; V512-S515 PolarHBondContact O-OG 2.83Å; V512-L516 HydrophobicContact CG1-CD1 3.9Å; V512-L516 PolarHBondContact O-N 2.85Å
513	F	98	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-41.7	-176.9	-59	-19.6	0	0	0	112.2	L461 I465 I478 Y481 C509 H510 S515 L516 M517 L521 E524	L461-F513 HydrophobicContact CD2-CE1 3.57Å; L461-F513 HydrophobicContact CD2-CZ 3.97Å; L461-F513 HydrophobicContact CG-CE1 4.31Å; I465-F513 HydrophobicContact CD1-CD1 4.45Å; I465-F513 HydrophobicContact CD1-CE1 4.3Å; I478-F513 HydrophobicContact CB-CE1 4.42Å; I478-F513 HydrophobicContact CB-CZ 4.2Å; I478-F513 HydrophobicContact CG1-CE1 3.69Å; I478-F513 HydrophobicContact CG1-CZ 3.94Å; I478-F513 HydrophobicContact CG2-CZ 4.06Å; Y481-F513 HydrophobicContact CD1-CE2 4.14Å; Y481-F513 HydrophobicContact CD1-CZ 4.29Å; Y481-F513 HydrophobicContact CD2-CE2 4.15Å; Y481-F513 HydrophobicContact CD2-CZ 4.44Å; Y481-F513 AromaticContact CE1-CE2 3.88Å; Y481-F513 HydrophobicContact CE1-CE2 3.88Å; Y481-F513 HydrophobicContact CE1-CZ 4.46Å; Y481-F513 AromaticContact CE2-CE2 3.88Å; Y481-F513 HydrophobicContact CE2-CE2 3.88Å; Y481-F513 HydrophobicContact CG-CE2 4.27Å; Y481-F513 HydrophobicContact CG-CZ 4.28Å; Y481-F513 AromaticContact CZ-CE2 3.74Å; C509-F513 HydrophobicContact CB-CD2 4.48Å; C509-F513 HydrophobicContact CB-CE2 3.81Å; C509-F513 HydrophobicContact CB-CZ 3.87Å; C509-F513 WeakPolarHBondContact O-CD1 3.48Å; C509-F513 WeakPolarHBondContact O-CD2 3.46Å; C509-F513 WeakPolarHBondContact O-CG 3.08Å; C509-F513 PolarHBondContact O-N 2.87Å; H510-F513 AromaticContact CD2-CD2 3.95Å; H510-F513 PolarHBondContact O-N 3.49Å; F513-S515 PolarHBondContact O-N 2.76Å; F513-L516 CarbonylContact O-C 3.59Å; F513-L516 PolarHBondContact O-N 2.91Å; F513-L516 VanDerWaalsContact O-N 3.1Å; F513-M517 WeakPolarHBondContact O-CB 3.43Å; F513-M517 PolarHBondContact O-N 2.99Å; F513-L521 HydrophobicContact CB-CD2 3.55Å; F513-L521 HydrophobicContact CD1-CD2 3.49Å; F513-L521 VanDerWaalsContact CD1-CD2 3.49Å; F513-L521 HydrophobicContact CE1-CD2 4.4Å; F513-L521 HydrophobicContact CG-CD2 3.69Å; F513-E524 WeakPolarHBondContact CB-OE2 3.31Å; F513-E524 HydrophobicContact CD2-CB 3.93Å; F513-E524 WeakPolarHBondContact CD2-OE2 3.13Å; F513-E524 HydrophobicContact CE2-CB 4.02Å
514	D	97.1	Very high	96.6	Very high	84 Å²	84	37.9 Å²	37.9	45%	0.449	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-34.4	177	-66.6	-15.3	0	0	0	112	H510 V512 L516 R565	H510-D514 WeakPolarHBondContact O-CB 3.41Å; H510-D514 PolarHBondContact O-N 3.14Å; V512-D514 VanDerWaalsContact C-N 3.33Å; V512-D514 PolarHBondContact O-N 2.8Å; D514-L516 VanDerWaalsContact C-N 3.32Å; D514-L516 PolarHBondContact O-N 2.88Å; D514-R565 VanDerWaalsContact CG-NH1 3.34Å; D514-R565 IonicContact OD1-CZ 3.74Å; D514-R565 IonicContact OD1-NH1 2.61Å; D514-R565 PolarHBondContact OD1-NH1 2.85Å; D514-R565 IonicContact OD1-NH2 3.61Å; D514-R565 PolarHBondContact OD1-NH2 2.92Å; D514-R565 IonicContact OD2-NH1 2.85Å; D514-R565 PolarHBondContact OD2-NH1 2.96Å
515	S	96.1	Very high	96.6	Very high	90 Å²	90	34.7 Å²	34.7	63%	0.629	18%	0.18	S	C	*	.	H	α-helix	trans	-74.8	-18.2	177.7	75.9	0	0	0	0	114.6	R511 V512 F513	R511-S515 PolarHBondContact O-N 2.86Å; V512-S515 PolarHBondContact O-N 2.81Å; V512-S515 VanDerWaalsContact O-N 3.12Å; V512-S515 PolarHBondContact O-OG 2.83Å; F513-S515 PolarHBondContact O-N 2.76Å
516	L	95.7	Very high	96.6	Very high	33 Å²	33	34.6 Å²	34.6	17%	0.173	18%	0.179	C	C	.	.	H	α-helix	trans	-118.1	3	-174.1	-61.6	178.8	0	0	0	113	I465 V512 F513 D514 Q518 N519 L521	I465-L516 HydrophobicContact CB-CD1 3.9Å; I465-L516 HydrophobicContact CD1-CD1 3.94Å; I465-L516 HydrophobicContact CG2-CD1 3.66Å; V512-L516 HydrophobicContact CG1-CD1 3.9Å; V512-L516 PolarHBondContact O-N 2.85Å; F513-L516 CarbonylContact O-C 3.59Å; F513-L516 PolarHBondContact O-N 2.91Å; F513-L516 VanDerWaalsContact O-N 3.1Å; D514-L516 VanDerWaalsContact C-N 3.32Å; D514-L516 PolarHBondContact O-N 2.88Å; L516-Q518 PolarHBondContact O-N 2.76Å; L516-N519 CarbonylContact O-C 3.59Å; L516-N519 PolarHBondContact O-N 2.9Å; L516-N519 VanDerWaalsContact O-O 3.05Å; L516-L521 HydrophobicContact CB-CB 3.99Å; L516-L521 VanDerWaalsContact O-CB 3.23Å; L516-L521 WeakPolarHBondContact O-CB 3.38Å; L516-L521 PolarHBondContact O-N 3.27Å
517	M	93.5	Very high	96.6	Very high	53 Å²	53	34.8 Å²	34.8	26%	0.261	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-60.4	134.2	-171.5	-169.1	168.8	-76.2	0	0	111.8	Y333 F513 N519 L569	Y333-M517 HydrophobicContact CD1-CE 4.43Å; Y333-M517 HydrophobicContact CD2-CG 3.79Å; Y333-M517 HydrophobicContact CE1-CE 3.8Å; Y333-M517 HydrophobicContact CE2-CB 4.42Å; Y333-M517 HydrophobicContact CE2-CE 4.11Å; Y333-M517 HydrophobicContact CE2-CG 3.58Å; Y333-M517 HydrophobicContact CE2-SD 4.44Å; Y333-M517 HydrophobicContact CG-CG 4.48Å; F513-M517 WeakPolarHBondContact O-CB 3.43Å; F513-M517 PolarHBondContact O-N 2.99Å; M517-N519 PolarHBondContact O-N 3.3Å; M517-L569 HydrophobicContact CE-CD1 4.33Å; M517-L569 HydrophobicContact CE-CD2 3.51Å; M517-L569 HydrophobicContact SD-CD2 3.85Å
518	Q	87	Confident	96.7	Very high	92 Å²	92	33 Å²	33	43%	0.43	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-9.2	-174.3	-59.4	-177.8	22.7	0	0	116.2	L516 L521	L516-Q518 PolarHBondContact O-N 2.76Å; Q518-L521 VanDerWaalsContact CA-O 3.31Å; Q518-L521 WeakPolarHBondContact CA-O 3.18Å; Q518-L521 PolarHBondContact N-O 3.36Å
519	N	89.9	Confident	96.7	Very high	121 Å²	121	30.3 Å²	30.3	65%	0.647	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-158.9	105.2	171.4	-173.8	12.9	0	0	0	111.7	L516 M517	L516-N519 CarbonylContact O-C 3.59Å; L516-N519 PolarHBondContact O-N 2.9Å; L516-N519 VanDerWaalsContact O-O 3.05Å; M517-N519 PolarHBondContact O-N 3.3Å
520	P	94.9	Very high	96.7	Very high	13 Å²	13	30.2 Å²	30.2	8%	0.084	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.3	-1.7	0.6	37.4	-37.7	0	0	0	114.1	I465 S469 I476 I522	I465-P520 HydrophobicContact CG2-CG 3.85Å; S469-P520 WeakPolarHBondContact OG-CB 3.43Å; I476-P520 HydrophobicContact CG1-CB 4.11Å; I476-P520 HydrophobicContact CG1-CG 4.21Å; I476-P520 PolarHBondContact N-O 3.32Å; P520-I522 PolarHBondContact O-N 2.9Å
521	L	97.2	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	113.2	-171.4	-172.8	69.1	0	0	0	110.9	Y333 I476 I478 F513 L516 Q518 G523	Y333-L521 HydrophobicContact CE2-CG 4.28Å; Y333-L521 WeakPolarHBondContact CE2-O 3.18Å; Y333-L521 WeakPolarHBondContact OH-CD2 3.25Å; I476-L521 HydrophobicContact CG2-CD1 4.24Å; I476-L521 CarbonylContact O-C 3.59Å; I476-L521 WeakPolarHBondContact O-CA 3.33Å; I478-L521 HydrophobicContact CG1-CD1 3.87Å; F513-L521 HydrophobicContact CB-CD2 3.55Å; F513-L521 HydrophobicContact CD1-CD2 3.49Å; F513-L521 VanDerWaalsContact CD1-CD2 3.49Å; F513-L521 HydrophobicContact CE1-CD2 4.4Å; F513-L521 HydrophobicContact CG-CD2 3.69Å; L516-L521 HydrophobicContact CB-CB 3.99Å; L516-L521 VanDerWaalsContact O-CB 3.23Å; L516-L521 WeakPolarHBondContact O-CB 3.38Å; L516-L521 PolarHBondContact O-N 3.27Å; Q518-L521 VanDerWaalsContact CA-O 3.31Å; Q518-L521 WeakPolarHBondContact CA-O 3.18Å; Q518-L521 PolarHBondContact N-O 3.36Å; L521-G523 WeakPolarHBondContact CD1-O 3.41Å
522	I	97.3	Very high	96.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	1.9	178.6	62.1	158.4	0	0	0	113.2	F325 Y333 F334 V438 P475 I476 L477 P520	F325-I522 HydrophobicContact CB-CB 4.21Å; F325-I522 HydrophobicContact CB-CD1 3.71Å; F325-I522 HydrophobicContact CB-CG2 4.26Å; F325-I522 HydrophobicContact CD2-CD1 3.8Å; F325-I522 HydrophobicContact CG-CD1 4.13Å; Y333-I522 CarbonylContact C-O 3.45Å; Y333-I522 VanDerWaalsContact CA-O 3.3Å; Y333-I522 WeakPolarHBondContact CA-O 3.24Å; Y333-I522 VanDerWaalsContact CD2-C 3.44Å; F334-I522 HydrophobicContact CD2-CD1 4.47Å; F334-I522 WeakPolarHBondContact CD2-O 3.47Å; F334-I522 HydrophobicContact CE2-CD1 4.18Å; F334-I522 PolarHBondContact N-O 3.11Å; V438-I522 HydrophobicContact CG1-CD1 3.8Å; V438-I522 HydrophobicContact CG2-CD1 4.21Å; P475-I522 HydrophobicContact CB-CB 4.41Å; P475-I522 HydrophobicContact CB-CD1 3.9Å; P475-I522 HydrophobicContact CB-CG1 4Å; P475-I522 HydrophobicContact CB-CG2 3.55Å; P475-I522 HydrophobicContact CG-CD1 4.48Å; I476-I522 VanDerWaalsContact O-CG1 3.25Å; I476-I522 WeakPolarHBondContact O-CG1 2.99Å; I476-I522 PolarHBondContact O-N 2.88Å; L477-I522 HydrophobicContact CB-CG1 4.24Å; P520-I522 PolarHBondContact O-N 2.9Å
523	G	98	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	172.4	174.9	0	0	0	0	0	115.9	Y333 F334 L477 I478 L521	Y333-G523 VanDerWaalsContact CE2-N 3.34Å; F334-G523 CarbonylContact O-C 3.58Å; F334-G523 WeakPolarHBondContact O-CA 3.4Å; L477-G523 VanDerWaalsContact CD1-C 3.48Å; I478-G523 PolarHBondContact N-O 2.87Å; I478-G523 VanDerWaalsContact N-O 3.13Å; L521-G523 WeakPolarHBondContact CD1-O 3.41Å
524	E	98.6	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.2	-179.5	65.2	-161.5	-162	0	0	110.2	Y333 F334 G336 I478 Y481 F513 R565 Y566 L569	Y333-E524 HydrophobicContact CE1-CG 3.87Å; Y333-E524 PolarHBondContact OH-OE2 3.33Å; F334-E524 PolarHBondContact O-N 2.98Å; G336-E524 PolarHBondContact N-O 3.29Å; I478-E524 CarbonylContact O-C 3.58Å; I478-E524 WeakPolarHBondContact O-CA 3.42Å; Y481-E524 HydrophobicContact CE1-CB 4.08Å; F513-E524 WeakPolarHBondContact CB-OE2 3.31Å; F513-E524 HydrophobicContact CD2-CB 3.93Å; F513-E524 WeakPolarHBondContact CD2-OE2 3.13Å; F513-E524 HydrophobicContact CE2-CB 4.02Å; E524-R565 IonicContact OE1-CZ 2.89Å; E524-R565 IonicContact OE1-NE 3.56Å; E524-R565 PolarHBondContact OE1-NE 2.53Å; E524-R565 IonicContact OE1-NH2 2.68Å; E524-R565 PolarHBondContact OE1-NH2 3.39Å; E524-R565 IonicContact OE2-CZ 3.54Å; E524-R565 IonicContact OE2-NE 3.28Å; E524-R565 PolarHBondContact OE2-NE 2.9Å; E524-R565 IonicContact OE2-NH2 3.66Å; E524-R565 PolarHBondContact OE2-NH2 2.89Å; E524-Y566 HydrophobicContact CG-CE1 4.1Å; E524-Y566 PolarHBondContact O-OH 3.48Å; E524-Y566 WeakPolarHBondContact OE1-CE1 3.5Å; E524-L569 WeakPolarHBondContact OE1-CD1 3.43Å
525	M	98.8	Very high	96.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.5	173.5	-63.7	-174.4	156.1	0	0	110	F334 G336 R371 I393 I478 T479 Y481	F334-M525 HydrophobicContact CB-CE 4.37Å; F334-M525 HydrophobicContact CD1-CE 3.94Å; G336-M525 VanDerWaalsContact O-CA 3.32Å; G336-M525 WeakPolarHBondContact O-CA 3.35Å; R371-M525 HydrophobicContact CB-SD 3.8Å; I393-M525 HydrophobicContact CD1-CE 3.67Å; I393-M525 HydrophobicContact CD1-SD 3.99Å; I393-M525 HydrophobicContact CG1-CE 4.19Å; I478-M525 PolarHBondContact O-N 3.29Å; T479-M525 CarbonylContact C-O 3.52Å; Y481-M525 VanDerWaalsContact CD1-O 3.27Å; Y481-M525 WeakPolarHBondContact CD1-O 3.43Å; Y481-M525 VanDerWaalsContact CE1-C 3.45Å; Y481-M525 WeakPolarHBondContact CE1-O 3.28Å
526	V	98.8	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	137.5	177.6	171.1	0	0	0	0	109.1	G336 F337 G338 Y481 F506 V548 I562	G336-V526 PolarHBondContact O-N 2.81Å; F337-V526 WeakPolarHBondContact CA-O 3.38Å; F337-V526 HydrophobicContact CD1-CB 3.63Å; F337-V526 HydrophobicContact CD1-CG1 4.09Å; F337-V526 HydrophobicContact CE1-CB 3.76Å; F337-V526 HydrophobicContact CE1-CG1 4.09Å; F337-V526 HydrophobicContact CE1-CG2 4.28Å; G338-V526 PolarHBondContact N-O 2.77Å; G338-V526 VanDerWaalsContact N-O 3.08Å; Y481-V526 HydrophobicContact CE1-CB 4.34Å; Y481-V526 HydrophobicContact CE1-CG2 3.82Å; Y481-V526 HydrophobicContact CE2-CG2 4.08Å; Y481-V526 VanDerWaalsContact CZ-CG2 3.41Å; Y481-V526 WeakPolarHBondContact OH-CG2 3.35Å; F506-V526 HydrophobicContact CE1-CG1 3.88Å; F506-V526 HydrophobicContact CE1-CG2 4.41Å; F506-V526 HydrophobicContact CZ-CG1 3.75Å; V526-V548 HydrophobicContact CG1-CG1 3.76Å; V526-I562 HydrophobicContact CG2-CD1 3.88Å; V526-I562 HydrophobicContact CG2-CG1 4.27Å; V526-I562 HydrophobicContact CG2-CG2 4.4Å
527	W	98.7	Very high	95.7	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.015	14%	0.138	C	C	.	.	S	Bend	trans	-101.4	113.1	165.5	-170	-98.5	0	0	0	109.8	H340 H374 Y444 E480 Y481 F532 K546	H340-W527 AromaticContact CD2-CH2 3.69Å; H340-W527 AromaticContact CD2-CZ2 3.99Å; H340-W527 AromaticContact NE2-CH2 3.35Å; H340-W527 VanDerWaalsContact NE2-CH2 3.35Å; H340-W527 WeakPolarHBondContact NE2-CH2 3.25Å; H340-W527 AromaticContact NE2-CZ2 3.67Å; H374-W527 AromaticContact NE2-CH2 3.51Å; Y444-W527 HydrophobicContact CE1-CB 4.42Å; Y444-W527 WeakPolarHBondContact OH-CB 3.33Å; E480-W527 HydrophobicContact CB-CB 3.81Å; E480-W527 HydrophobicContact CB-CG 4.34Å; E480-W527 HydrophobicContact CG-CB 3.93Å; E480-W527 HydrophobicContact CG-CD2 3.88Å; E480-W527 HydrophobicContact CG-CE3 3.61Å; E480-W527 HydrophobicContact CG-CG 4.06Å; E480-W527 HydrophobicContact CG-CZ3 4.35Å; Y481-W527 PolarHBondContact O-N 3.19Å; W527-F532 AromaticContact CE2-CE1 3.93Å; W527-F532 AromaticContact CZ2-CE1 3.64Å; W527-F532 HydrophobicContact CZ2-CE1 3.64Å; W527-F532 AromaticContact CZ2-CZ 3.57Å; W527-F532 HydrophobicContact CZ2-CZ 3.57Å; W527-F532 AromaticContact NE1-CE1 3.92Å; W527-K546 VanDerWaalsContact CD1-CD 3.5Å; W527-K546 WeakPolarHBondContact O-CB 3.47Å
528	N	98.6	Very high	95.7	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.172	C	C	.	.			cis	-124.9	168.3	0.3	-167.6	-79.7	0	0	0	109.8	G338 A530 F532 K546 G547 V548	G338-N528 PolarHBondContact O-ND2 3.28Å; G338-N528 PolarHBondContact O-OD1 3.14Å; N528-A530 VanDerWaalsContact C-N 3.31Å; N528-A530 PolarHBondContact O-N 3.13Å; N528-A530 PolarHBondContact OD1-N 3.31Å; N528-A530 PolarHBondContact OD1-O 3.19Å; N528-F532 HydrophobicContact CB-CD1 4.28Å; N528-F532 HydrophobicContact CB-CE1 4.1Å; N528-K546 PolarHBondContact N-O 3.41Å; N528-G547 WeakPolarHBondContact O-CA 3.48Å; N528-V548 PolarHBondContact O-N 3.49Å
529	F	98.8	Very high	96	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.18	C	C	.	.	S	Bend	trans	-53.3	-48	169	176.5	-101	0	0	0	112.1	F337 G338 M339 D358 V361 L362 F365 V548 L549 R553	F337-F529 HydrophobicContact CB-CB 3.87Å; F337-F529 HydrophobicContact CD1-CB 4.19Å; F337-F529 HydrophobicContact CD2-CD2 4.01Å; F337-F529 HydrophobicContact CE2-CD2 4.29Å; F337-F529 HydrophobicContact CG-CB 4.02Å; F337-F529 HydrophobicContact CG-CD2 4.14Å; G338-F529 PolarHBondContact O-N 2.94Å; G338-F529 VanDerWaalsContact O-N 3.1Å; M339-F529 HydrophobicContact CE-CB 4.45Å; M339-F529 HydrophobicContact CE-CD1 3.75Å; M339-F529 HydrophobicContact CE-CD2 4.36Å; M339-F529 HydrophobicContact CE-CE1 4.01Å; M339-F529 HydrophobicContact CE-CG 3.94Å; M339-F529 HydrophobicContact CE-CZ 4.4Å; M339-F529 HydrophobicContact CG-CB 3.73Å; M339-F529 HydrophobicContact CG-CG 4.21Å; D358-F529 HydrophobicContact CB-CE1 4.02Å; D358-F529 HydrophobicContact CB-CZ 4.1Å; D358-F529 WeakPolarHBondContact OD1-CE1 3.19Å; V361-F529 HydrophobicContact CB-CE2 4.18Å; V361-F529 HydrophobicContact CB-CZ 3.86Å; V361-F529 HydrophobicContact CG1-CE2 3.8Å; V361-F529 HydrophobicContact CG1-CZ 3.78Å; L362-F529 HydrophobicContact CD2-CD2 3.99Å; L362-F529 HydrophobicContact CD2-CE2 3.99Å; L362-F529 HydrophobicContact CG-CD2 4.48Å; L362-F529 HydrophobicContact CG-CE2 4.03Å; F365-F529 HydrophobicContact CD2-CE2 4.32Å; F365-F529 HydrophobicContact CE2-CD2 4.39Å; F365-F529 HydrophobicContact CE2-CE2 4.13Å; F529-V548 WeakPolarHBondContact O-CG2 3.5Å; F529-L549 HydrophobicContact CD1-CD1 4.02Å; F529-L549 HydrophobicContact CD2-CD1 4.21Å; F529-L549 HydrophobicContact CE1-CD1 3.55Å; F529-L549 HydrophobicContact CE2-CD1 3.79Å; F529-L549 HydrophobicContact CG-CD1 4.32Å; F529-L549 HydrophobicContact CZ-CD1 3.44Å; F529-L549 VanDerWaalsContact CZ-CD1 3.44Å; F529-L549 VanDerWaalsContact O-CB 3.3Å; F529-L549 WeakPolarHBondContact O-CB 3.39Å; F529-L549 WeakPolarHBondContact O-CG 3.45Å; F529-L549 PolarHBondContact O-N 3.15Å; F529-L549 VanDerWaalsContact O-N 3.12Å; F529-R553 HydrophobicContact CE1-CG 4.27Å
530	A	98.7	Very high	96.2	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-140.4	158.4	178.4	0	0	0	0	0	111.4	N528 L549	N528-A530 VanDerWaalsContact C-N 3.31Å; N528-A530 PolarHBondContact O-N 3.13Å; N528-A530 PolarHBondContact OD1-N 3.31Å; N528-A530 PolarHBondContact OD1-O 3.19Å; A530-L549 CarbonylContact C-O 3.52Å; A530-L549 WeakPolarHBondContact CA-O 3.29Å; A530-L549 HydrophobicContact CB-CB 4.01Å
531	D	98.4	Very high	96.2	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.174	C	C	.	.			trans	-57	144.4	166	-70.2	-8.3	0	0	0	109.8	N544 R545 G547 L549 R551 K556	D531-N544 WeakPolarHBondContact CA-O 3.41Å; D531-R545 VanDerWaalsContact OD1-C 3.31Å; D531-R545 WeakPolarHBondContact OD1-CA 3.07Å; D531-R545 WeakPolarHBondContact OD2-CD 3.48Å; D531-R545 IonicContact OD2-CZ 2.78Å; D531-R545 IonicContact OD2-NH1 2.75Å; D531-R545 PolarHBondContact OD2-NH1 2.71Å; D531-G547 WeakPolarHBondContact OD1-CA 3.48Å; D531-G547 PolarHBondContact OD1-N 2.86Å; D531-L549 PolarHBondContact N-O 3.41Å; D531-R551 HydrophobicContact CB-CB 4.23Å; D531-R551 WeakPolarHBondContact O-CA 3.42Å; D531-R551 WeakPolarHBondContact O-CG 3.15Å; D531-K556 WeakPolarHBondContact OD1-CE 3.29Å; D531-K556 IonicContact OD1-NZ 3.21Å; D531-K556 PolarHBondContact OD1-NZ 3.29Å; D531-K556 IonicContact OD2-NZ 3.2Å; D531-K556 PolarHBondContact OD2-NZ 3.11Å
532	F	98.3	Very high	96.1	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-147.2	163.7	-177.9	66.9	-91.6	0	0	0	111.2	D193 F194 H340 D342 W527 N528 T534 G543 N544	D193-F532 WeakPolarHBondContact O-CE2 3.29Å; F194-F532 HydrophobicContact CB-CD2 4.46Å; F194-F532 HydrophobicContact CB-CE2 4.11Å; H340-F532 HydrophobicContact CB-CB 4.36Å; H340-F532 HydrophobicContact CB-CG 4.4Å; H340-F532 AromaticContact CD2-CD1 3.72Å; H340-F532 AromaticContact CD2-CD2 3.75Å; H340-F532 AromaticContact CD2-CE1 3.7Å; H340-F532 AromaticContact CD2-CE2 3.74Å; H340-F532 AromaticContact CD2-CG 3.75Å; H340-F532 AromaticContact CD2-CZ 3.72Å; H340-F532 AromaticContact NE2-CE2 3.72Å; H340-F532 AromaticContact NE2-CZ 3.75Å; D342-F532 HydrophobicContact CB-CB 3.75Å; D342-F532 WeakPolarHBondContact OD1-CA 3.07Å; W527-F532 AromaticContact CE2-CE1 3.93Å; W527-F532 AromaticContact CZ2-CE1 3.64Å; W527-F532 HydrophobicContact CZ2-CE1 3.64Å; W527-F532 AromaticContact CZ2-CZ 3.57Å; W527-F532 HydrophobicContact CZ2-CZ 3.57Å; W527-F532 AromaticContact NE1-CE1 3.92Å; N528-F532 HydrophobicContact CB-CD1 4.28Å; N528-F532 HydrophobicContact CB-CE1 4.1Å; F532-T534 HydrophobicContact CD2-CG2 4.48Å; F532-T534 HydrophobicContact CE2-CG2 3.96Å; F532-G543 CarbonylContact O-C 3.55Å; F532-G543 WeakPolarHBondContact O-CA 3.42Å; F532-N544 HydrophobicContact CD1-CB 4.13Å; F532-N544 HydrophobicContact CD2-CB 4.29Å; F532-N544 HydrophobicContact CE1-CB 3.59Å; F532-N544 HydrophobicContact CE2-CB 3.76Å; F532-N544 HydrophobicContact CG-CB 4.45Å; F532-N544 HydrophobicContact CZ-CB 3.37Å; F532-N544 PolarHBondContact N-O 3.32Å; F532-N544 PolarHBondContact O-N 3.02Å
533	M	98	Very high	96.1	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.089	20%	0.201	C	C	.	.			trans	-83.4	144.9	-174	-165.4	59.1	61.6	0	0	113.1	F195 Y197 D342 V542	F195-M533 HydrophobicContact CB-CB 4.09Å; F195-M533 HydrophobicContact CB-CG 3.91Å; F195-M533 HydrophobicContact CD2-CG 4.41Å; F195-M533 HydrophobicContact CG-CG 4.18Å; F195-M533 PolarHBondContact N-O 3.38Å; Y197-M533 HydrophobicContact CE2-CB 3.94Å; Y197-M533 WeakPolarHBondContact OH-CB 3.42Å; Y197-M533 WeakPolarHBondContact OH-CG 3.1Å; D342-M533 PolarHBondContact OD2-N 3.41Å; D342-M533 VanDerWaalsContact OD2-N 3.12Å; M533-V542 HydrophobicContact CE-CG1 4.03Å; M533-V542 HydrophobicContact SD-CG1 4.49Å
534	T	95.9	Very high	96.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	20%	0.201	C	C	.	.			trans	-127.5	171.9	173.3	65.9	0	0	0	0	109.6	D193 F195 F532 R540 G543 N544	D193-T534 WeakPolarHBondContact OD1-CG2 3.41Å; F195-T534 WeakPolarHBondContact CD2-O 3.32Å; F532-T534 HydrophobicContact CD2-CG2 4.48Å; F532-T534 HydrophobicContact CE2-CG2 3.96Å; T534-R540 HydrophobicContact CG2-CG 4.38Å; T534-R540 VanDerWaalsContact OG1-CB 3.26Å; T534-R540 WeakPolarHBondContact OG1-CB 3.47Å; T534-R540 VanDerWaalsContact OG1-CG 3.3Å; T534-R540 WeakPolarHBondContact OG1-CG 3.3Å; T534-G543 WeakPolarHBondContact OG1-CA 3.26Å; T534-N544 HydrophobicContact CG2-CB 3.81Å
535	D	90.6	Very high	96	Very high	64 Å²	64	38.2 Å²	38.2	34%	0.342	21%	0.21	S	C	.	.			trans	-61.8	156.6	163.1	-78.9	-11.9	0	0	0	111.5	L190 F195 S537	L190-D535 WeakPolarHBondContact CD1-OD2 3.4Å; F195-D535 WeakPolarHBondContact CD2-OD1 3.07Å; F195-D535 WeakPolarHBondContact CE2-OD1 3.36Å; D535-S537 PolarHBondContact O-N 3.17Å
536	D	89.7	Confident	96	Very high	100 Å²	100	38.2 Å²	38.2	54%	0.535	21%	0.211	S	C	.	.			trans	-66.2	121.9	179.5	-64.2	-31.4	0	0	0	109.3	R85	R85-D536 IonicContact CZ-OD2 3.81Å; R85-D536 IonicContact NE-OD2 3.01Å; R85-D536 IonicContact NH2-OD2 3.06Å; R85-D536 PolarHBondContact NH2-OD2 3.13Å
537	S	90.5	Very high	96	Very high	54 Å²	54	38.2 Å²	38.2	38%	0.378	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-149.8	161.3	174.2	87.7	0	0	0	0	111.2	D535 T539 R540	D535-S537 PolarHBondContact O-N 3.17Å; S537-T539 PolarHBondContact O-N 3.24Å; S537-T539 VanDerWaalsContact O-N 3.14Å; S537-T539 PolarHBondContact OG-N 3.06Å; S537-T539 PolarHBondContact OG-OG1 2.76Å; S537-R540 PolarHBondContact O-N 3.13Å; S537-R540 WeakPolarHBondContact OG-CB 3.31Å; S537-R540 VanDerWaalsContact OG-CG 3.31Å; S537-R540 WeakPolarHBondContact OG-CG 3.46Å; S537-R540 PolarHBondContact OG-N 3.42Å
538	L	92.2	Very high	96	Very high	186 Å²	186	38 Å²	38	97%	0.974	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	177.3	-63.6	176.2	0	0	0	113
539	T	93.4	Very high	96	Very high	97 Å²	97	38 Å²	38	60%	0.595	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	7.4	-177.8	59.8	0	0	0	0	112.9	S537	S537-T539 PolarHBondContact O-N 3.24Å; S537-T539 VanDerWaalsContact O-N 3.14Å; S537-T539 PolarHBondContact OG-N 3.06Å; S537-T539 PolarHBondContact OG-OG1 2.76Å
540	R	95.3	Very high	95.9	Very high	34 Å²	34	41.4 Å²	41.4	13%	0.128	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-130.1	103	-178.6	-66.5	-65.2	178.1	-85.7	-3.2	110.7	D193 Y448 T534 S537 V542	D193-R540 IonicContact OD1-CZ 3.53Å; D193-R540 VanDerWaalsContact OD1-CZ 3.3Å; D193-R540 IonicContact OD1-NE 2.82Å; D193-R540 PolarHBondContact OD1-NE 3Å; D193-R540 IonicContact OD1-NH2 3.59Å; D193-R540 PolarHBondContact OD1-NH2 3.15Å; D193-R540 IonicContact OD2-CZ 3.19Å; D193-R540 IonicContact OD2-NE 2.94Å; D193-R540 PolarHBondContact OD2-NE 2.75Å; D193-R540 IonicContact OD2-NH2 3.48Å; D193-R540 PolarHBondContact OD2-NH2 2.66Å; Y448-R540 PolarHBondContact OH-NH1 2.92Å; Y448-R540 PolarHBondContact OH-NH2 3.45Å; Y448-R540 VanDerWaalsContact OH-NH2 3.13Å; T534-R540 HydrophobicContact CG2-CG 4.38Å; T534-R540 VanDerWaalsContact OG1-CB 3.26Å; T534-R540 WeakPolarHBondContact OG1-CB 3.47Å; T534-R540 VanDerWaalsContact OG1-CG 3.3Å; T534-R540 WeakPolarHBondContact OG1-CG 3.3Å; S537-R540 PolarHBondContact O-N 3.13Å; S537-R540 WeakPolarHBondContact OG-CB 3.31Å; S537-R540 VanDerWaalsContact OG-CG 3.31Å; S537-R540 WeakPolarHBondContact OG-CG 3.46Å; S537-R540 PolarHBondContact OG-N 3.42Å; R540-V542 PolarHBondContact O-N 3.05Å; R540-V542 VanDerWaalsContact O-N 3.11Å
541	V	95.2	Very high	95.9	Very high	79 Å²	79	42.6 Å²	42.6	48%	0.479	23%	0.227	S	C	.	.	S	Bend	trans	-84.7	89.8	179.7	-173.2	0	0	0	0	109.1	F486 G543 R545	F486-V541 HydrophobicContact CE1-CB 3.78Å; F486-V541 HydrophobicContact CE1-CG1 3.77Å; F486-V541 HydrophobicContact CE1-CG2 4.38Å; F486-V541 HydrophobicContact CE2-CG2 4.48Å; F486-V541 HydrophobicContact CZ-CB 3.52Å; F486-V541 HydrophobicContact CZ-CG1 3.9Å; F486-V541 HydrophobicContact CZ-CG2 3.66Å; V541-G543 PolarHBondContact N-O 2.73Å; V541-G543 PolarHBondContact O-N 3.17Å; V541-R545 PolarHBondContact O-NE 3.23Å
542	V	94.3	Very high	95.8	Very high	94 Å²	94	46.3 Å²	46.3	57%	0.57	25%	0.247	S	C	*	.	S	Bend	trans	53.8	55.7	-177.7	-170	0	0	0	0	109.8	M533 R540 R545	M533-V542 HydrophobicContact CE-CG1 4.03Å; M533-V542 HydrophobicContact SD-CG1 4.49Å; R540-V542 PolarHBondContact O-N 3.05Å; R540-V542 VanDerWaalsContact O-N 3.11Å; V542-R545 PolarHBondContact O-NE 2.73Å; V542-R545 PolarHBondContact O-NH2 3.31Å
543	G	96.9	Very high	95.8	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	99.8	-169.5	-175.5	0	0	0	0	0	115.1	F532 T534 V541	F532-G543 CarbonylContact O-C 3.55Å; F532-G543 WeakPolarHBondContact O-CA 3.42Å; T534-G543 WeakPolarHBondContact OG1-CA 3.26Å; V541-G543 PolarHBondContact N-O 2.73Å; V541-G543 PolarHBondContact O-N 3.17Å
544	N	98	Very high	95.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-89.2	130.3	174.7	-174.6	-50.4	0	0	0	109.1	D193 D531 F532 T534 K546	D193-N544 PolarHBondContact OD2-ND2 3.19Å; D531-N544 WeakPolarHBondContact CA-O 3.41Å; F532-N544 HydrophobicContact CD1-CB 4.13Å; F532-N544 HydrophobicContact CD2-CB 4.29Å; F532-N544 HydrophobicContact CE1-CB 3.59Å; F532-N544 HydrophobicContact CE2-CB 3.76Å; F532-N544 HydrophobicContact CG-CB 4.45Å; F532-N544 HydrophobicContact CZ-CB 3.37Å; F532-N544 PolarHBondContact N-O 3.32Å; F532-N544 PolarHBondContact O-N 3.02Å; T534-N544 HydrophobicContact CG2-CB 3.81Å; N544-K546 VanDerWaalsContact OD1-CB 3.24Å; N544-K546 WeakPolarHBondContact OD1-CB 3.5Å; N544-K546 VanDerWaalsContact OD1-CG 3.23Å; N544-K546 WeakPolarHBondContact OD1-CG 3.48Å; N544-K546 PolarHBondContact OD1-N 2.93Å
545	R	97.9	Very high	95.9	Very high	52 Å²	52	52.5 Å²	52.5	20%	0.196	28%	0.278	C	S	.	.			trans	-113.4	16.8	-171.2	-59.9	-65.5	-175.9	175.6	-4.4	112.9	D484 T485 F486 D531 V541 V542 G547 K556	D484-R545 HydrophobicContact CB-CB 4.08Å; D484-R545 WeakPolarHBondContact OD1-CA 3.34Å; D484-R545 WeakPolarHBondContact OD1-CB 3.32Å; D484-R545 PolarHBondContact OD1-N 3.32Å; T485-R545 PolarHBondContact N-O 2.79Å; F486-R545 HydrophobicContact CD1-CG 4.42Å; F486-R545 HydrophobicContact CE1-CB 4.19Å; F486-R545 HydrophobicContact CE1-CG 3.59Å; F486-R545 HydrophobicContact CZ-CB 4.19Å; F486-R545 HydrophobicContact CZ-CG 3.84Å; D531-R545 VanDerWaalsContact OD1-C 3.31Å; D531-R545 WeakPolarHBondContact OD1-CA 3.07Å; D531-R545 WeakPolarHBondContact OD2-CD 3.48Å; D531-R545 IonicContact OD2-CZ 2.78Å; D531-R545 IonicContact OD2-NH1 2.75Å; D531-R545 PolarHBondContact OD2-NH1 2.71Å; V541-R545 PolarHBondContact O-NE 3.23Å; V542-R545 PolarHBondContact O-NE 2.73Å; V542-R545 PolarHBondContact O-NH2 3.31Å; R545-G547 PolarHBondContact O-N 3.37Å; R545-K556 PolarHBondContact O-NZ 2.88Å
546	K	98.4	Very high	96.2	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.262	C	S	.	.			trans	-76.3	-8	177.3	-59.1	177.6	177.7	62	0	113.2	Y444 Y448 A483 D484 Q502 W527 N528 N544	Y444-K546 HydrophobicContact CE1-CD 3.81Å; Y448-K546 PolarHBondContact OH-NZ 2.84Å; A483-K546 WeakPolarHBondContact O-CA 3.25Å; D484-K546 HydrophobicContact CB-CG 4.33Å; D484-K546 PolarHBondContact OD1-N 2.88Å; D484-K546 IonicContact OD1-NZ 3.64Å; D484-K546 WeakPolarHBondContact OD2-CE 3.42Å; D484-K546 IonicContact OD2-NZ 3.85Å; D484-K546 PolarHBondContact OD2-NZ 3.33Å; Q502-K546 PolarHBondContact NE2-O 3.32Å; W527-K546 VanDerWaalsContact CD1-CD 3.5Å; W527-K546 WeakPolarHBondContact O-CB 3.47Å; N528-K546 PolarHBondContact N-O 3.41Å; N544-K546 VanDerWaalsContact OD1-CB 3.24Å; N544-K546 WeakPolarHBondContact OD1-CB 3.5Å; N544-K546 VanDerWaalsContact OD1-CG 3.23Å; N544-K546 WeakPolarHBondContact OD1-CG 3.48Å; N544-K546 PolarHBondContact OD1-N 2.93Å
547	G	98.4	Very high	96.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.			trans	-53.3	139.9	178	0	0	0	0	0	112.2	N528 D531 R545 L549 K556	N528-G547 WeakPolarHBondContact O-CA 3.48Å; D531-G547 WeakPolarHBondContact OD1-CA 3.48Å; D531-G547 PolarHBondContact OD1-N 2.86Å; R545-G547 PolarHBondContact O-N 3.37Å; G547-L549 VanDerWaalsContact C-N 3.28Å; G547-K556 VanDerWaalsContact O-CD 3.26Å; G547-K556 WeakPolarHBondContact O-CD 3.3Å; G547-K556 WeakPolarHBondContact O-CE 3.33Å; G547-K556 PolarHBondContact O-NZ 3.37Å
548	V	98.5	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-80.3	-17.6	165.3	-62.8	0	0	0	0	111.7	F337 F365 F506 V526 N528 F529 K556 A559 I562	F337-V548 HydrophobicContact CD1-CG2 4.37Å; F337-V548 HydrophobicContact CE1-CG2 3.57Å; F337-V548 HydrophobicContact CZ-CG2 4.19Å; F365-V548 HydrophobicContact CE1-CG2 4.23Å; F365-V548 HydrophobicContact CE2-CG2 4.28Å; F365-V548 HydrophobicContact CZ-CG2 3.61Å; F506-V548 HydrophobicContact CE2-CG1 3.81Å; F506-V548 HydrophobicContact CZ-CG1 3.83Å; V526-V548 HydrophobicContact CG1-CG1 3.76Å; N528-V548 PolarHBondContact O-N 3.49Å; F529-V548 WeakPolarHBondContact O-CG2 3.5Å; V548-K556 VanDerWaalsContact O-CB 3.3Å; V548-K556 WeakPolarHBondContact O-CB 3.39Å; V548-K556 WeakPolarHBondContact O-CG 3.2Å; V548-K556 PolarHBondContact O-N 3.02Å; V548-A559 HydrophobicContact CB-CB 4.45Å; V548-I562 HydrophobicContact CG1-CG1 4.09Å
549	L	98.4	Very high	97.1	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-107.4	153.3	165.6	-52	173.4	0	0	0	110	V361 F365 F529 A530 D531 G547 R553 Q554 P555 A559	V361-L549 HydrophobicContact CG1-CD1 3.62Å; V361-L549 HydrophobicContact CG1-CD2 4.24Å; F365-L549 HydrophobicContact CE2-CD1 4.22Å; F365-L549 HydrophobicContact CE2-CD2 4Å; F365-L549 HydrophobicContact CE2-CG 4.17Å; F365-L549 HydrophobicContact CZ-CD2 3.79Å; F365-L549 HydrophobicContact CZ-CG 4.21Å; F529-L549 HydrophobicContact CD1-CD1 4.02Å; F529-L549 HydrophobicContact CD2-CD1 4.21Å; F529-L549 HydrophobicContact CE1-CD1 3.55Å; F529-L549 HydrophobicContact CE2-CD1 3.79Å; F529-L549 HydrophobicContact CG-CD1 4.32Å; F529-L549 HydrophobicContact CZ-CD1 3.44Å; F529-L549 VanDerWaalsContact CZ-CD1 3.44Å; F529-L549 VanDerWaalsContact O-CB 3.3Å; F529-L549 WeakPolarHBondContact O-CB 3.39Å; F529-L549 WeakPolarHBondContact O-CG 3.45Å; F529-L549 PolarHBondContact O-N 3.15Å; F529-L549 VanDerWaalsContact O-N 3.12Å; A530-L549 CarbonylContact C-O 3.52Å; A530-L549 WeakPolarHBondContact CA-O 3.29Å; A530-L549 HydrophobicContact CB-CB 4.01Å; D531-L549 PolarHBondContact N-O 3.41Å; G547-L549 VanDerWaalsContact C-N 3.28Å; L549-R553 HydrophobicContact CD1-CG 4.33Å; L549-Q554 CarbonylContact C-O 3.58Å; L549-Q554 VanDerWaalsContact CA-O 3.27Å; L549-Q554 WeakPolarHBondContact CA-O 3.46Å; L549-P555 HydrophobicContact CD2-CB 4.09Å; L549-A559 HydrophobicContact CD2-CB 4.39Å
550	Y	97.7	Very high	97.3	Very high	72 Å²	72	39.5 Å²	39.5	28%	0.282	19%	0.19	S	C	.	.			trans	-65.2	162.3	160.1	-64.6	-74.8	0	0	0	111	D487 N552 R553 Q554 K556	D487-Y550 WeakPolarHBondContact CB-OH 3.37Å; D487-Y550 PolarHBondContact OD2-OH 3.31Å; Y550-N552 VanDerWaalsContact CB-OD1 3.22Å; Y550-N552 WeakPolarHBondContact CB-OD1 3.49Å; Y550-N552 PolarHBondContact O-N 3.25Å; Y550-N552 VanDerWaalsContact O-N 3.1Å; Y550-R553 WeakPolarHBondContact O-CA 3.43Å; Y550-R553 PolarHBondContact O-N 2.99Å; Y550-Q554 HydrophobicContact CD2-CB 3.95Å; Y550-Q554 VanDerWaalsContact CD2-O 3.31Å; Y550-Q554 WeakPolarHBondContact CD2-O 3.37Å; Y550-Q554 PolarHBondContact N-O 2.85Å; Y550-K556 HydrophobicContact CD1-CG 4.45Å; Y550-K556 HydrophobicContact CD2-CG 4.06Å; Y550-K556 HydrophobicContact CE1-CG 4.22Å; Y550-K556 HydrophobicContact CE2-CG 3.77Å; Y550-K556 HydrophobicContact CG-CG 4.4Å
551	R	97.1	Very high	97.4	Very high	28 Å²	28	41.1 Å²	41.1	11%	0.106	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.3	179.7	-162.6	174.8	-168.9	-147.5	2	113	Y197 D342 S343 E344 D531 R553	Y197-R551 PolarHBondContact OH-NH2 3.28Å; D342-R551 IonicContact OD1-CZ 3.55Å; D342-R551 VanDerWaalsContact OD1-CZ 3.25Å; D342-R551 IonicContact OD1-NE 2.81Å; D342-R551 PolarHBondContact OD1-NE 3.31Å; D342-R551 IonicContact OD1-NH2 3.44Å; D342-R551 PolarHBondContact OD1-NH2 3.41Å; D342-R551 IonicContact OD2-CZ 3.44Å; D342-R551 IonicContact OD2-NE 3.37Å; D342-R551 IonicContact OD2-NH2 2.71Å; D342-R551 PolarHBondContact OD2-NH2 2.82Å; S343-R551 PolarHBondContact O-NH2 2.99Å; E344-R551 HydrophobicContact CG-CB 4.38Å; E344-R551 HydrophobicContact CG-CG 4.03Å; D531-R551 HydrophobicContact CB-CB 4.23Å; D531-R551 WeakPolarHBondContact O-CA 3.42Å; D531-R551 WeakPolarHBondContact O-CG 3.15Å; R551-R553 VanDerWaalsContact C-N 3.29Å; R551-R553 WeakPolarHBondContact O-CD 3.34Å; R551-R553 PolarHBondContact O-N 3.38Å; R551-R553 PolarHBondContact O-NH1 2.92Å
552	N	97	Very high	97.5	Very high	81 Å²	81	37.3 Å²	37.3	43%	0.433	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	15.2	174.6	70.8	-2.3	0	0	0	114.8	Y550 Q554	Y550-N552 VanDerWaalsContact CB-OD1 3.22Å; Y550-N552 WeakPolarHBondContact CB-OD1 3.49Å; Y550-N552 PolarHBondContact O-N 3.25Å; Y550-N552 VanDerWaalsContact O-N 3.1Å; N552-Q554 VanDerWaalsContact C-N 3.26Å; N552-Q554 PolarHBondContact O-N 3.16Å; N552-Q554 WeakPolarHBondContact OD1-CG 3.45Å; N552-Q554 PolarHBondContact OD1-N 3.11Å
553	R	98	Very high	97.7	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.06	17%	0.167	C	C	.	.	S	Bend	trans	64.3	20.3	177.1	-80.4	56.4	177.7	169.7	2.6	115.2	D342 K357 D358 F529 L549 Y550 R551	D342-R553 PolarHBondContact O-NH1 2.91Å; D342-R553 PolarHBondContact O-NH2 2.98Å; K357-R553 HydrophobicContact CG-CB 4.05Å; K357-R553 HydrophobicContact CG-CG 4.15Å; D358-R553 WeakPolarHBondContact OD1-CG 3.3Å; D358-R553 IonicContact OD1-CZ 3.57Å; D358-R553 IonicContact OD1-NE 3.79Å; D358-R553 PolarHBondContact OD1-NE 2.84Å; D358-R553 IonicContact OD1-NH2 3.55Å; D358-R553 IonicContact OD2-CZ 3.96Å; D358-R553 IonicContact OD2-NE 2.7Å; D358-R553 IonicContact OD2-NH2 3.49Å; D358-R553 PolarHBondContact OD2-NH2 2.92Å; F529-R553 HydrophobicContact CE1-CG 4.27Å; L549-R553 HydrophobicContact CD1-CG 4.33Å; Y550-R553 WeakPolarHBondContact O-CA 3.43Å; Y550-R553 PolarHBondContact O-N 2.99Å; R551-R553 VanDerWaalsContact C-N 3.29Å; R551-R553 WeakPolarHBondContact O-CD 3.34Å; R551-R553 PolarHBondContact O-N 3.38Å; R551-R553 PolarHBondContact O-NH1 2.92Å
554	Q	97.9	Very high	97.8	Very high	101 Å²	101	40.1 Å²	40.1	47%	0.472	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-81.2	143.2	165.9	-60.8	-53.2	-46.6	0	0	110.6	L549 Y550 N552	L549-Q554 CarbonylContact C-O 3.58Å; L549-Q554 VanDerWaalsContact CA-O 3.27Å; L549-Q554 WeakPolarHBondContact CA-O 3.46Å; Y550-Q554 HydrophobicContact CD2-CB 3.95Å; Y550-Q554 VanDerWaalsContact CD2-O 3.31Å; Y550-Q554 WeakPolarHBondContact CD2-O 3.37Å; Y550-Q554 PolarHBondContact N-O 2.85Å; N552-Q554 VanDerWaalsContact C-N 3.26Å; N552-Q554 PolarHBondContact O-N 3.16Å; N552-Q554 WeakPolarHBondContact OD1-CG 3.45Å; N552-Q554 PolarHBondContact OD1-N 3.11Å
555	P	98.1	Very high	97.8	Very high	40 Å²	40	41.5 Å²	41.5	26%	0.26	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-74.9	138.6	-178.2	29.7	-33.9	0	0	0	112.7	W364 L549 A559 Y560	W364-P555 HydrophobicContact CH2-CB 4.37Å; L549-P555 HydrophobicContact CD2-CB 4.09Å; P555-A559 HydrophobicContact CB-CB 3.68Å; P555-Y560 HydrophobicContact CB-CE2 4.08Å; P555-Y560 HydrophobicContact CG-CE2 4.15Å
556	K	97.6	Very high	97.8	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-81.5	172.7	161.1	-56.8	-173.3	-170.7	173	0	110.2	T485 D531 R545 G547 V548 Y550 S558 A559	T485-K556 PolarHBondContact O-NZ 2.72Å; D531-K556 WeakPolarHBondContact OD1-CE 3.29Å; D531-K556 IonicContact OD1-NZ 3.21Å; D531-K556 PolarHBondContact OD1-NZ 3.29Å; D531-K556 IonicContact OD2-NZ 3.2Å; D531-K556 PolarHBondContact OD2-NZ 3.11Å; R545-K556 PolarHBondContact O-NZ 2.88Å; G547-K556 VanDerWaalsContact O-CD 3.26Å; G547-K556 WeakPolarHBondContact O-CD 3.3Å; G547-K556 WeakPolarHBondContact O-CE 3.33Å; G547-K556 PolarHBondContact O-NZ 3.37Å; V548-K556 VanDerWaalsContact O-CB 3.3Å; V548-K556 WeakPolarHBondContact O-CB 3.39Å; V548-K556 WeakPolarHBondContact O-CG 3.2Å; V548-K556 PolarHBondContact O-N 3.02Å; Y550-K556 HydrophobicContact CD1-CG 4.45Å; Y550-K556 HydrophobicContact CD2-CG 4.06Å; Y550-K556 HydrophobicContact CE1-CG 4.22Å; Y550-K556 HydrophobicContact CE2-CG 3.77Å; Y550-K556 HydrophobicContact CG-CG 4.4Å; K556-S558 VanDerWaalsContact C-N 3.27Å; K556-S558 PolarHBondContact O-N 3.25Å; K556-A559 VanDerWaalsContact O-CB 3.24Å; K556-A559 WeakPolarHBondContact O-CB 3.35Å; K556-A559 PolarHBondContact O-N 3.06Å; K556-A559 VanDerWaalsContact O-N 3.09Å
557	Q	95	Very high	97.7	Very high	96 Å²	96	40.8 Å²	40.8	45%	0.449	20%	0.197	S	C	.	.	H	α-helix	trans	-57.7	-40	178.5	-167.8	179	-9.7	0	0	112.7	I503 A559 Y560	I503-Q557 HydrophobicContact CD1-CB 4.31Å; I503-Q557 HydrophobicContact CD1-CG 3.83Å; Q557-A559 PolarHBondContact O-N 3.01Å; Q557-Y560 PolarHBondContact O-N 3.14Å
558	S	97	Very high	97.6	Very high	1 Å²	1	44 Å²	44	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-25.2	178.6	59.9	0	0	0	0	113.8	Q502 K556 Y560 I561 I562	Q502-S558 PolarHBondContact OE1-OG 3.04Å; K556-S558 VanDerWaalsContact C-N 3.27Å; K556-S558 PolarHBondContact O-N 3.25Å; S558-Y560 PolarHBondContact O-N 3.26Å; S558-I561 WeakPolarHBondContact O-CB 3.22Å; S558-I561 PolarHBondContact O-N 2.84Å; S558-I562 PolarHBondContact O-N 3.05Å
559	A	98.4	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-37.7	177.9	0	0	0	0	0	112.1	W364 F365 V548 L549 P555 K556 Q557 I561 I562 R563	W364-A559 HydrophobicContact CH2-CB 4.43Å; W364-A559 HydrophobicContact CZ3-CB 4.28Å; F365-A559 HydrophobicContact CE1-CB 3.71Å; F365-A559 VanDerWaalsContact CE1-O 3.24Å; F365-A559 WeakPolarHBondContact CE1-O 3.24Å; F365-A559 HydrophobicContact CZ-CB 3.77Å; V548-A559 HydrophobicContact CB-CB 4.45Å; L549-A559 HydrophobicContact CD2-CB 4.39Å; P555-A559 HydrophobicContact CB-CB 3.68Å; K556-A559 VanDerWaalsContact O-CB 3.24Å; K556-A559 WeakPolarHBondContact O-CB 3.35Å; K556-A559 PolarHBondContact O-N 3.06Å; K556-A559 VanDerWaalsContact O-N 3.09Å; Q557-A559 PolarHBondContact O-N 3.01Å; A559-I561 VanDerWaalsContact C-N 3.31Å; A559-I561 PolarHBondContact O-N 3.1Å; A559-I562 PolarHBondContact O-N 3.02Å; A559-R563 VanDerWaalsContact O-CB 3.31Å; A559-R563 WeakPolarHBondContact O-CB 3.25Å; A559-R563 PolarHBondContact O-N 3.18Å
560	Y	98.1	Very high	97.1	Very high	129 Å²	129	46 Å²	46	51%	0.506	23%	0.23	S	C	.	.	H	α-helix	trans	-69.3	-31	179.3	-64.4	-84.8	0	0	0	112.4	W364 P555 Q557 S558 A564	W364-Y560 HydrophobicContact CH2-CD1 4.1Å; W364-Y560 HydrophobicContact CH2-CE1 4.03Å; W364-Y560 HydrophobicContact CZ2-CD1 4.17Å; W364-Y560 AromaticContact CZ2-CE1 3.86Å; W364-Y560 HydrophobicContact CZ2-CE1 3.86Å; P555-Y560 HydrophobicContact CB-CE2 4.08Å; P555-Y560 HydrophobicContact CG-CE2 4.15Å; Q557-Y560 PolarHBondContact O-N 3.14Å; S558-Y560 PolarHBondContact O-N 3.26Å; Y560-A564 WeakPolarHBondContact O-CB 3.3Å; Y560-A564 PolarHBondContact O-N 2.82Å
561	I	97.4	Very high	96.6	Very high	68 Å²	68	51.5 Å²	51.5	35%	0.349	25%	0.25	S	C	.	.	H	α-helix	trans	-70.6	-47.3	174.8	-55.4	-58.1	0	0	0	110.4	I503 S558 A559 R563 A564 R565	I503-I561 HydrophobicContact CG1-CG1 4.31Å; I503-I561 HydrophobicContact CG2-CG1 4.28Å; S558-I561 WeakPolarHBondContact O-CB 3.22Å; S558-I561 PolarHBondContact O-N 2.84Å; A559-I561 VanDerWaalsContact C-N 3.31Å; A559-I561 PolarHBondContact O-N 3.1Å; I561-R563 VanDerWaalsContact C-N 3.31Å; I561-R563 PolarHBondContact O-N 2.8Å; I561-A564 PolarHBondContact O-N 3.24Å; I561-R565 PolarHBondContact O-N 2.97Å
562	I	98.5	Very high	95.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-43.9	175.9	-59.9	-48	0	0	0	110.7	F337 F365 F506 V526 V548 S558 A559 A564 R565 Y566	F337-I562 HydrophobicContact CE1-CG2 4.19Å; F337-I562 HydrophobicContact CZ-CG2 3.79Å; F365-I562 HydrophobicContact CD1-CB 4.24Å; F365-I562 HydrophobicContact CD1-CG2 4.03Å; F365-I562 HydrophobicContact CE1-CB 4.16Å; F365-I562 HydrophobicContact CE1-CG2 4.29Å; F506-I562 HydrophobicContact CB-CD1 4.45Å; F506-I562 HydrophobicContact CD1-CD1 4.45Å; F506-I562 HydrophobicContact CD2-CD1 3.94Å; F506-I562 HydrophobicContact CD2-CG1 4.49Å; F506-I562 HydrophobicContact CE2-CD1 4.25Å; F506-I562 HydrophobicContact CE2-CG1 4.45Å; F506-I562 HydrophobicContact CG-CD1 4.05Å; V526-I562 HydrophobicContact CG2-CD1 3.88Å; V526-I562 HydrophobicContact CG2-CG1 4.27Å; V526-I562 HydrophobicContact CG2-CG2 4.4Å; V548-I562 HydrophobicContact CG1-CG1 4.09Å; S558-I562 PolarHBondContact O-N 3.05Å; A559-I562 PolarHBondContact O-N 3.02Å; I562-A564 PolarHBondContact O-N 3.13Å; I562-R565 PolarHBondContact O-N 3.24Å; I562-Y566 HydrophobicContact CG2-CD1 4.33Å; I562-Y566 HydrophobicContact CG2-CD2 3.84Å; I562-Y566 HydrophobicContact CG2-CE1 4.18Å; I562-Y566 HydrophobicContact CG2-CE2 3.67Å; I562-Y566 HydrophobicContact CG2-CG 4.18Å; I562-Y566 PolarHBondContact O-N 3.15Å
563	R	98.4	Very high	94.6	Very high	94 Å²	94	51.9 Å²	51.9	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-47.2	176.2	179.1	176.2	-170.5	-151.4	-1.5	112.1	W364 F365 A559 I561 R565 Y566 T567	W364-R563 VanDerWaalsContact CE2-CD 3.48Å; W364-R563 VanDerWaalsContact CE2-NH1 3.31Å; W364-R563 HydrophobicContact CH2-CB 4.46Å; W364-R563 VanDerWaalsContact CZ2-CD 3.5Å; W364-R563 HydrophobicContact CZ3-CB 4.27Å; W364-R563 VanDerWaalsContact O-CD 3.31Å; W364-R563 WeakPolarHBondContact O-CD 3.21Å; W364-R563 WeakPolarHBondContact O-CG 3.37Å; W364-R563 PolarHBondContact O-NE 2.84Å; F365-R563 HydrophobicContact CD1-CB 3.97Å; F365-R563 WeakPolarHBondContact O-CA 3.3Å; A559-R563 VanDerWaalsContact O-CB 3.31Å; A559-R563 WeakPolarHBondContact O-CB 3.25Å; A559-R563 PolarHBondContact O-N 3.18Å; I561-R563 VanDerWaalsContact C-N 3.31Å; I561-R563 PolarHBondContact O-N 2.8Å; R563-R565 VanDerWaalsContact C-N 3.27Å; R563-R565 PolarHBondContact O-N 3.49Å; R563-Y566 PolarHBondContact O-N 3.19Å; R563-T567 HydrophobicContact CG-CG2 4.16Å; R563-T567 WeakPolarHBondContact O-CB 3.42Å; R563-T567 VanDerWaalsContact O-CG2 3.29Å; R563-T567 WeakPolarHBondContact O-CG2 3.37Å; R563-T567 PolarHBondContact O-N 3.47Å; R563-T567 PolarHBondContact O-OG1 2.88Å
564	A	98.3	Very high	92.7	Very high	60 Å²	60	53.8 Å²	53.8	50%	0.496	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-41.9	178.2	0	0	0	0	0	111.2	Y560 I561 I562 T567 S568	Y560-A564 WeakPolarHBondContact O-CB 3.3Å; Y560-A564 PolarHBondContact O-N 2.82Å; I561-A564 PolarHBondContact O-N 3.24Å; I562-A564 PolarHBondContact O-N 3.13Å; A564-T567 PolarHBondContact O-OG1 3.04Å; A564-S568 WeakPolarHBondContact O-CB 3.34Å; A564-S568 PolarHBondContact O-N 2.86Å; A564-S568 VanDerWaalsContact O-N 3.15Å
565	R	97.8	Very high	90.4	Very high	30 Å²	30	53.5 Å²	53.5	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-55.6	176.1	-179.2	172.2	177.1	79.1	0.8	112.5	H510 D514 E524 I561 I562 R563 T567 S568 L569	H510-R565 PolarHBondContact CD2-NE 3.21Å; H510-R565 WeakPolarHBondContact CE1-CD 3.47Å; H510-R565 WeakPolarHBondContact ND1-CD 3.39Å; H510-R565 WeakPolarHBondContact NE2-CD 3.42Å; D514-R565 VanDerWaalsContact CG-NH1 3.34Å; D514-R565 IonicContact OD1-CZ 3.74Å; D514-R565 IonicContact OD1-NH1 2.61Å; D514-R565 PolarHBondContact OD1-NH1 2.85Å; D514-R565 IonicContact OD1-NH2 3.61Å; D514-R565 PolarHBondContact OD1-NH2 2.92Å; D514-R565 IonicContact OD2-NH1 2.85Å; D514-R565 PolarHBondContact OD2-NH1 2.96Å; E524-R565 IonicContact OE1-CZ 2.89Å; E524-R565 IonicContact OE1-NE 3.56Å; E524-R565 PolarHBondContact OE1-NE 2.53Å; E524-R565 IonicContact OE1-NH2 2.68Å; E524-R565 PolarHBondContact OE1-NH2 3.39Å; E524-R565 IonicContact OE2-CZ 3.54Å; E524-R565 IonicContact OE2-NE 3.28Å; E524-R565 PolarHBondContact OE2-NE 2.9Å; E524-R565 IonicContact OE2-NH2 3.66Å; E524-R565 PolarHBondContact OE2-NH2 2.89Å; I561-R565 PolarHBondContact O-N 2.97Å; I562-R565 PolarHBondContact O-N 3.24Å; R563-R565 VanDerWaalsContact C-N 3.27Å; R563-R565 PolarHBondContact O-N 3.49Å; R565-T567 PolarHBondContact O-N 3.37Å; R565-S568 WeakPolarHBondContact O-CA 3.49Å; R565-S568 VanDerWaalsContact O-CB 3.28Å; R565-S568 WeakPolarHBondContact O-CB 3.33Å; R565-S568 PolarHBondContact O-N 2.95Å; R565-L569 HydrophobicContact CG-CD1 4.22Å; R565-L569 HydrophobicContact CG-CG 4.49Å; R565-L569 WeakPolarHBondContact O-CG 3.16Å; R565-L569 PolarHBondContact O-N 2.81Å
566	Y	98.1	Very high	87.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-39	-174.3	-74.6	5.5	0	0	0	112.1	A335 G336 F337 F365 A367 E524 I562 R563 S568 L569 L570	A335-Y566 HydrophobicContact CB-CD1 3.92Å; A335-Y566 HydrophobicContact CB-CD2 4.33Å; A335-Y566 HydrophobicContact CB-CE1 4.07Å; A335-Y566 HydrophobicContact CB-CE2 4.46Å; A335-Y566 HydrophobicContact CB-CG 4.06Å; G336-Y566 PolarHBondContact N-OH 2.81Å; G336-Y566 PolarHBondContact O-OH 3.21Å; F337-Y566 HydrophobicContact CD2-CE2 4.49Å; F337-Y566 HydrophobicContact CE2-CD2 4.4Å; F337-Y566 AromaticContact CE2-CE2 3.87Å; F337-Y566 HydrophobicContact CE2-CE2 3.87Å; F337-Y566 AromaticContact CZ-CE2 3.96Å; F337-Y566 HydrophobicContact CZ-CE2 3.96Å; F365-Y566 HydrophobicContact CB-CD2 4.45Å; F365-Y566 VanDerWaalsContact O-CB 3.22Å; F365-Y566 WeakPolarHBondContact O-CB 3.33Å; A367-Y566 HydrophobicContact CB-CD2 4.02Å; A367-Y566 HydrophobicContact CB-CE2 4.28Å; E524-Y566 HydrophobicContact CG-CE1 4.1Å; E524-Y566 PolarHBondContact O-OH 3.48Å; E524-Y566 WeakPolarHBondContact OE1-CE1 3.5Å; I562-Y566 HydrophobicContact CG2-CD1 4.33Å; I562-Y566 HydrophobicContact CG2-CD2 3.84Å; I562-Y566 HydrophobicContact CG2-CE1 4.18Å; I562-Y566 HydrophobicContact CG2-CE2 3.67Å; I562-Y566 HydrophobicContact CG2-CG 4.18Å; I562-Y566 PolarHBondContact O-N 3.15Å; R563-Y566 PolarHBondContact O-N 3.19Å; Y566-S568 VanDerWaalsContact C-N 3.29Å; Y566-S568 PolarHBondContact O-N 3.35Å; Y566-L569 HydrophobicContact CD1-CD1 4.31Å; Y566-L569 PolarHBondContact O-N 3.41Å; Y566-L570 WeakPolarHBondContact O-CG 3.05Å; Y566-L570 PolarHBondContact O-N 3.25Å
567	T	96.9	Very high	84.5	Confident	38 Å²	38	63.4 Å²	63.4	23%	0.233	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-32.1	172.1	57	0	0	0	0	113.2	R563 A564 R565 R571	R563-T567 HydrophobicContact CG-CG2 4.16Å; R563-T567 WeakPolarHBondContact O-CB 3.42Å; R563-T567 VanDerWaalsContact O-CG2 3.29Å; R563-T567 WeakPolarHBondContact O-CG2 3.37Å; R563-T567 PolarHBondContact O-N 3.47Å; R563-T567 PolarHBondContact O-OG1 2.88Å; A564-T567 PolarHBondContact O-OG1 3.04Å; R565-T567 PolarHBondContact O-N 3.37Å; T567-R571 VanDerWaalsContact O-CG 3.31Å; T567-R571 WeakPolarHBondContact O-CG 3.12Å; T567-R571 PolarHBondContact O-N 3.28Å
568	S	96.2	Very high	84	Confident	66 Å²	66	61.8 Å²	61.8	46%	0.462	34%	0.342	S	S	.	.	H	α-helix	trans	-66.4	-48.6	172	-172	0	0	0	0	111.4	A564 R565 Y566 L570 R571 S572	A564-S568 WeakPolarHBondContact O-CB 3.34Å; A564-S568 PolarHBondContact O-N 2.86Å; A564-S568 VanDerWaalsContact O-N 3.15Å; R565-S568 WeakPolarHBondContact O-CA 3.49Å; R565-S568 VanDerWaalsContact O-CB 3.28Å; R565-S568 WeakPolarHBondContact O-CB 3.33Å; R565-S568 PolarHBondContact O-N 2.95Å; Y566-S568 VanDerWaalsContact C-N 3.29Å; Y566-S568 PolarHBondContact O-N 3.35Å; S568-L570 VanDerWaalsContact C-N 3.34Å; S568-L570 PolarHBondContact O-N 3.34Å; S568-R571 PolarHBondContact O-N 3.19Å; S568-R571 VanDerWaalsContact O-N 3.1Å; S568-S572 PolarHBondContact O-N 2.97Å; S568-S572 PolarHBondContact O-OG 2.04Å
569	L	94.7	Very high	83.3	Confident	25 Å²	25	65 Å²	65	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-59.2	-42.7	178	-66.7	177.1	0	0	0	112.3	Y333 A335 M517 E524 R565 Y566 R571 S572 S573	Y333-L569 HydrophobicContact CD1-CD1 4.32Å; Y333-L569 HydrophobicContact CE1-CD1 4.09Å; A335-L569 HydrophobicContact CB-CD1 4.32Å; M517-L569 HydrophobicContact CE-CD1 4.33Å; M517-L569 HydrophobicContact CE-CD2 3.51Å; M517-L569 HydrophobicContact SD-CD2 3.85Å; E524-L569 WeakPolarHBondContact OE1-CD1 3.43Å; R565-L569 HydrophobicContact CG-CD1 4.22Å; R565-L569 HydrophobicContact CG-CG 4.49Å; R565-L569 WeakPolarHBondContact O-CG 3.16Å; R565-L569 PolarHBondContact O-N 2.81Å; Y566-L569 HydrophobicContact CD1-CD1 4.31Å; Y566-L569 PolarHBondContact O-N 3.41Å; L569-R571 VanDerWaalsContact C-N 3.34Å; L569-R571 PolarHBondContact O-N 2.97Å; L569-S572 PolarHBondContact O-N 3.22Å; L569-S573 PolarHBondContact O-N 3.24Å; L569-S573 PolarHBondContact O-OG 3.17Å
570	L	90.1	Very high	82.5	Confident	20 Å²	20	68.6 Å²	68.6	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-59.1	-42.7	174.3	-74.2	177.8	0	0	0	112.4	Y282 G366 N368 Y566 S568 S573 N574	Y282-L570 HydrophobicContact CD1-CD1 4.36Å; Y282-L570 HydrophobicContact CE1-CD1 3.89Å; G366-L570 WeakPolarHBondContact O-CD1 3.14Å; G366-L570 WeakPolarHBondContact O-CG 3.26Å; N368-L570 HydrophobicContact CB-CD2 4.41Å; Y566-L570 WeakPolarHBondContact O-CG 3.05Å; Y566-L570 PolarHBondContact O-N 3.25Å; S568-L570 VanDerWaalsContact C-N 3.34Å; S568-L570 PolarHBondContact O-N 3.34Å; L570-S573 WeakPolarHBondContact O-CB 3.43Å; L570-S573 PolarHBondContact O-N 3.35Å; L570-N574 PolarHBondContact O-N 3.19Å
571	R	87.5	Confident	81.6	Confident	187 Å²	187	65.1 Å²	65.1	71%	0.706	37%	0.372	S	S	*	.	H	α-helix	trans	-67.7	-38.9	179.3	-71.5	172.1	-174	177.4	3.4	112.5	T567 S568 L569 S573 N574 S575	T567-R571 VanDerWaalsContact O-CG 3.31Å; T567-R571 WeakPolarHBondContact O-CG 3.12Å; T567-R571 PolarHBondContact O-N 3.28Å; S568-R571 PolarHBondContact O-N 3.19Å; S568-R571 VanDerWaalsContact O-N 3.1Å; L569-R571 VanDerWaalsContact C-N 3.34Å; L569-R571 PolarHBondContact O-N 2.97Å; R571-S573 PolarHBondContact O-N 2.81Å; R571-N574 PolarHBondContact O-N 3.31Å; R571-S575 PolarHBondContact O-N 3.4Å; R571-S575 PolarHBondContact O-OG 3.26Å
572	S	82.4	Confident	80.6	Confident	64 Å²	64	64.9 Å²	64.9	45%	0.448	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-31.9	175.2	-57.2	0	0	0	0	111.9	S568 L569 S575	S568-S572 PolarHBondContact O-N 2.97Å; S568-S572 PolarHBondContact O-OG 2.04Å; L569-S572 PolarHBondContact O-N 3.22Å; S572-S575 PolarHBondContact O-OG 3.2Å; S572-S575 VanDerWaalsContact O-OG 3.08Å
573	S	69.4	Low	79.4	Confident	54 Å²	54	69.2 Å²	69.2	38%	0.378	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-38.1	175.7	-51.6	0	0	0	0	112.3	L569 L570 R571	L569-S573 PolarHBondContact O-N 3.24Å; L569-S573 PolarHBondContact O-OG 3.17Å; L570-S573 WeakPolarHBondContact O-CB 3.43Å; L570-S573 PolarHBondContact O-N 3.35Å; R571-S573 PolarHBondContact O-N 2.81Å
574	N	58.4	Low	78	Confident	56 Å²	56	67.4 Å²	67.4	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-76.8	-22.9	-179.1	-82	-12.6	0	0	0	114.3	G283 L570 R571 C576 V577	G283-N574 PolarHBondContact O-OD1 3.49Å; L570-N574 PolarHBondContact O-N 3.19Å; R571-N574 PolarHBondContact O-N 3.31Å; N574-C576 PolarHBondContact O-N 3.2Å; N574-V577 PolarHBondContact O-N 2.93Å
575	S	49.4	Very low	76.5	Confident	94 Å²	94	68 Å²	68	66%	0.657	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.2	179.9	33.6	0	0	0	0	113.8	R571 S572	R571-S575 PolarHBondContact O-N 3.4Å; R571-S575 PolarHBondContact O-OG 3.26Å; S572-S575 PolarHBondContact O-OG 3.2Å; S572-S575 VanDerWaalsContact O-OG 3.08Å
576	C	38.1	Very low	74.7	Confident	116 Å²	116	71.2 Å²	71.2	78%	0.784	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	8.9	174.2	-70.7	0	0	0	0	113.7	N574	N574-C576 PolarHBondContact O-N 3.2Å
577	V	34.9	Very low	72.5	Confident	134 Å²	134	77.6 Å²	77.6	81%	0.812	46%	0.456	S	S	*	.			trans	-105.9	0	174.8	-170.6	0	0	0	0	109.5	K330 N574	K330-V577 VanDerWaalsContact NZ-CG1 3.33Å; N574-V577 PolarHBondContact O-N 2.93Å

Retrieved 577 of 577 residues in 318.3 ms (Link to these results)

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