A0A093HNF9_STRCA Loading...

Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

Glycosyltransferase that generates the core 1 O-glycan Gal-beta1-3GalNAc-alpha1-Ser/Thr (T antigen), which is a precursor for many extended O-glycans in glycoproteins.

AlphaFold DB , UniProt , Accession A0A093HNF9, Species STRCA (Struthio camelus australis), Gene n/a, Length 366 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	52.9	Low	68	Low	250 Å²	250	121.9 Å²	121.9	100%	1.232	69%	0.685	S	S	*	*				0	64.5	0	-69.4	176.3	-173.9	0	0	111.3
2	A	53.4	Low	69.3	Low	92 Å²	92	119.4 Å²	119.4	76%	0.76	68%	0.675	S	S	*	*			trans	-123.3	-5.3	178.2	0	0	0	0	0	113.8
3	S	57.5	Low	70.6	Confident	102 Å²	102	121.5 Å²	121.5	71%	0.713	67%	0.673	S	S	*	*	H	α-helix	trans	-86.6	-26.9	-172.8	-170.3	0	0	0	0	114.7	L7	S3-L7 PolarHBondContact O-N 3.41Å
4	S	59.8	Low	71.8	Confident	91 Å²	91	116.6 Å²	116.6	64%	0.636	66%	0.656	S	S	*	*	H	α-helix	trans	-78.2	-32.9	-171.4	72.8	0	0	0	0	113.7	M8	S4-M8 WeakPolarHBondContact O-CB 3.26Å; S4-M8 PolarHBondContact O-N 3.35Å; S4-M8 VanDerWaalsContact O-N 3.1Å
5	K	63.4	Low	72.9	Confident	162 Å²	162	118.7 Å²	118.7	70%	0.704	66%	0.655	S	S	*	*	H	α-helix	trans	-68.5	-36.1	177.6	-72.4	-173.7	177.2	-177.7	0	112.4	N9	K5-N9 PolarHBondContact O-N 3.21Å; K5-N9 VanDerWaalsContact O-N 3.1Å; K5-N9 PolarHBondContact O-ND2 3.01Å
6	S	69.3	Low	74.1	Confident	82 Å²	82	114.1 Å²	114.1	57%	0.573	64%	0.643	S	S	*	*	H	α-helix	trans	-67.2	-43.3	176.9	-173.2	0	0	0	0	111.7	M8 N9 L10	S6-M8 VanDerWaalsContact C-N 3.35Å; S6-M8 PolarHBondContact O-N 3.38Å; S6-N9 PolarHBondContact O-N 2.91Å; S6-L10 WeakPolarHBondContact O-CB 3.47Å; S6-L10 PolarHBondContact O-N 3.03Å
7	L	74.3	Confident	75	Confident	108 Å²	108	110.8 Å²	110.8	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-63.7	-40.7	177	-171.4	70.3	0	0	0	112.1	S3 L10 L11	S3-L7 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.37Å
8	M	74.9	Confident	75.9	Confident	123 Å²	123	107.9 Å²	107.9	61%	0.606	62%	0.622	S	S	*	*	H	α-helix	trans	-68.3	-36.8	179.9	-152.8	161.8	69.9	0	0	111.9	S4 S6 L11 T12	S4-M8 WeakPolarHBondContact O-CB 3.26Å; S4-M8 PolarHBondContact O-N 3.35Å; S4-M8 VanDerWaalsContact O-N 3.1Å; S6-M8 VanDerWaalsContact C-N 3.35Å; S6-M8 PolarHBondContact O-N 3.38Å; M8-L11 PolarHBondContact O-N 3.43Å; M8-T12 WeakPolarHBondContact O-CG2 3.39Å; M8-T12 PolarHBondContact O-N 2.89Å; M8-T12 PolarHBondContact O-OG1 2.83Å; M8-T12 VanDerWaalsContact O-OG1 3.12Å
9	N	78.8	Confident	76.8	Confident	108 Å²	108	106.8 Å²	106.8	58%	0.578	61%	0.613	S	S	*	*	H	α-helix	trans	-69.6	-34.6	173.6	-69.7	-10.5	0	0	0	112.6	K5 S6 T12 F13	K5-N9 PolarHBondContact O-N 3.21Å; K5-N9 VanDerWaalsContact O-N 3.1Å; K5-N9 PolarHBondContact O-ND2 3.01Å; S6-N9 PolarHBondContact O-N 2.91Å; N9-T12 WeakPolarHBondContact CA-OG1 3.15Å; N9-T12 PolarHBondContact O-OG1 2.9Å; N9-F13 WeakPolarHBondContact O-CB 3.1Å; N9-F13 PolarHBondContact O-N 3.25Å
10	L	80.8	Confident	77.7	Confident	112 Å²	112	103.5 Å²	103.5	59%	0.586	60%	0.602	S	S	*	*	H	α-helix	trans	-68.4	-40.1	175.1	-171.2	69.1	0	0	0	111.2	S6 L7 F13 A14	S6-L10 WeakPolarHBondContact O-CB 3.47Å; S6-L10 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 3.21Å; L10-F13 PolarHBondContact O-N 2.95Å; L10-A14 WeakPolarHBondContact O-CB 3.38Å; L10-A14 PolarHBondContact O-N 2.99Å
11	L	82.3	Confident	78.4	Confident	111 Å²	111	105.8 Å²	105.8	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-42.9	176.6	-75.1	168.2	0	0	0	111.9	L7 M8 A14 F15	L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.37Å; M8-L11 PolarHBondContact O-N 3.43Å; L11-A14 PolarHBondContact O-N 3.48Å; L11-F15 WeakPolarHBondContact O-CB 3.45Å; L11-F15 PolarHBondContact O-N 2.84Å
12	T	84	Confident	80.2	Confident	92 Å²	92	100.2 Å²	100.2	56%	0.564	57%	0.574	S	S	*	*	H	α-helix	trans	-66.3	-37.8	176.2	49.1	0	0	0	0	112.1	M8 N9 G16	M8-T12 WeakPolarHBondContact O-CG2 3.39Å; M8-T12 PolarHBondContact O-N 2.89Å; M8-T12 PolarHBondContact O-OG1 2.83Å; M8-T12 VanDerWaalsContact O-OG1 3.12Å; N9-T12 WeakPolarHBondContact CA-OG1 3.15Å; N9-T12 PolarHBondContact O-OG1 2.9Å; T12-G16 PolarHBondContact O-N 2.76Å
13	F	86.6	Confident	81.9	Confident	147 Å²	147	100.6 Å²	100.6	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-65.3	-43.6	173.9	-178.4	-97.9	0	0	0	112.5	N9 L10 G16 S17	N9-F13 WeakPolarHBondContact O-CB 3.1Å; N9-F13 PolarHBondContact O-N 3.25Å; L10-F13 PolarHBondContact O-N 2.95Å; F13-G16 PolarHBondContact O-N 2.83Å; F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 3.45Å; F13-S17 PolarHBondContact O-OG 3.19Å
14	A	86.4	Confident	83.5	Confident	53 Å²	53	98.8 Å²	98.8	44%	0.438	55%	0.55	S	S	.	.	H	α-helix	trans	-64	-41.8	177.3	0	0	0	0	0	111.6	L10 L11 S17 A18	L10-A14 WeakPolarHBondContact O-CB 3.38Å; L10-A14 PolarHBondContact O-N 2.99Å; L11-A14 PolarHBondContact O-N 3.48Å; A14-S17 PolarHBondContact O-N 2.67Å; A14-A18 WeakPolarHBondContact O-CB 3.48Å; A14-A18 PolarHBondContact O-N 2.88Å
15	F	89.6	Confident	84.8	Confident	147 Å²	147	101.1 Å²	101.1	65%	0.645	55%	0.545	S	S	*	.	H	α-helix	trans	-67.3	-43.2	178.2	-147.5	-95.3	0	0	0	111.8	L11 S17 A18 I19	L11-F15 WeakPolarHBondContact O-CB 3.45Å; L11-F15 PolarHBondContact O-N 2.84Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.44Å; F15-A18 PolarHBondContact O-N 3.42Å; F15-I19 HydrophobicContact CD1-CD1 3.61Å; F15-I19 HydrophobicContact CD1-CG1 4.32Å; F15-I19 HydrophobicContact CE1-CD1 3.77Å; F15-I19 HydrophobicContact CE1-CG1 4.43Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 3.2Å
16	G	91.2	Very high	85.9	Confident	45 Å²	45	97 Å²	97	46%	0.464	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-40.1	174.4	0	0	0	0	0	112.7	T12 F13 I19 G20	T12-G16 PolarHBondContact O-N 2.76Å; F13-G16 PolarHBondContact O-N 2.83Å; G16-I19 PolarHBondContact O-N 2.85Å; G16-G20 PolarHBondContact O-N 2.86Å
17	S	89.9	Confident	86.6	Confident	58 Å²	58	97.7 Å²	97.7	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-39.7	176.6	-59.8	0	0	0	0	112.1	F13 A14 F15 G20 F21	F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 3.45Å; F13-S17 PolarHBondContact O-OG 3.19Å; A14-S17 PolarHBondContact O-N 2.67Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.44Å; S17-G20 PolarHBondContact O-N 3.09Å; S17-F21 WeakPolarHBondContact O-CB 3.28Å; S17-F21 PolarHBondContact O-N 3.49Å
18	A	91.3	Very high	87	Confident	60 Å²	60	98.4 Å²	98.4	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-43.8	176.4	0	0	0	0	0	111.9	A14 F15 F21 F22	A14-A18 WeakPolarHBondContact O-CB 3.48Å; A14-A18 PolarHBondContact O-N 2.88Å; F15-A18 PolarHBondContact O-N 3.42Å; A18-F21 PolarHBondContact O-N 3.2Å; A18-F22 WeakPolarHBondContact O-CB 2.96Å; A18-F22 PolarHBondContact O-N 2.87Å
19	I	93.1	Very high	87.1	Confident	87 Å²	87	94.5 Å²	94.5	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-44.6	175.4	-67.3	168.7	0	0	0	110.7	F15 G16 F21 F22 L23	F15-I19 HydrophobicContact CD1-CD1 3.61Å; F15-I19 HydrophobicContact CD1-CG1 4.32Å; F15-I19 HydrophobicContact CE1-CD1 3.77Å; F15-I19 HydrophobicContact CE1-CG1 4.43Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 3.2Å; G16-I19 PolarHBondContact O-N 2.85Å; I19-F21 VanDerWaalsContact C-N 3.34Å; I19-F21 PolarHBondContact O-N 3.14Å; I19-F22 PolarHBondContact O-N 2.99Å; I19-L23 HydrophobicContact CG2-CD1 3.87Å; I19-L23 HydrophobicContact CG2-CG 4.41Å; I19-L23 PolarHBondContact O-N 3.01Å
20	G	93.5	Very high	87	Confident	39 Å²	39	95.3 Å²	95.3	40%	0.402	51%	0.513	S	S	.	.	H	α-helix	trans	-59.7	-43.9	177	0	0	0	0	0	112.1	G16 S17 C24	G16-G20 PolarHBondContact O-N 2.86Å; S17-G20 PolarHBondContact O-N 3.09Å; G20-C24 VanDerWaalsContact O-CB 3.24Å; G20-C24 WeakPolarHBondContact O-CB 3.44Å; G20-C24 PolarHBondContact O-N 3.39Å
21	F	92.3	Very high	86.6	Confident	153 Å²	153	94.8 Å²	94.8	67%	0.671	51%	0.51	S	S	*	.	H	α-helix	trans	-63.5	-41.6	175.5	-169.8	-93.2	0	0	0	111.9	S17 A18 I19 C24 Y25	S17-F21 WeakPolarHBondContact O-CB 3.28Å; S17-F21 PolarHBondContact O-N 3.49Å; A18-F21 PolarHBondContact O-N 3.2Å; I19-F21 VanDerWaalsContact C-N 3.34Å; I19-F21 PolarHBondContact O-N 3.14Å; F21-C24 PolarHBondContact O-N 3.33Å; F21-Y25 VanDerWaalsContact O-CB 3.25Å; F21-Y25 WeakPolarHBondContact O-CB 3.11Å; F21-Y25 PolarHBondContact O-N 2.9Å
22	F	91.3	Very high	85.7	Confident	132 Å²	132	94.3 Å²	94.3	58%	0.579	51%	0.507	S	S	*	.	H	α-helix	trans	-66.4	-43.5	179	-159.5	-96.2	0	0	0	112.3	A18 I19 Y25 L26	A18-F22 WeakPolarHBondContact O-CB 2.96Å; A18-F22 PolarHBondContact O-N 2.87Å; I19-F22 PolarHBondContact O-N 2.99Å; F22-Y25 PolarHBondContact O-N 2.74Å; F22-L26 HydrophobicContact CD1-CD1 3.74Å; F22-L26 HydrophobicContact CD1-CG 4.21Å; F22-L26 HydrophobicContact CE1-CD1 3.65Å; F22-L26 HydrophobicContact CE1-CG 4.13Å; F22-L26 WeakPolarHBondContact O-CG 3.45Å; F22-L26 PolarHBondContact O-N 2.66Å
23	L	90.2	Very high	84.3	Confident	101 Å²	101	96.8 Å²	96.8	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-40.4	175.1	-75.6	169.3	0	0	0	112	I19 L26 L27	I19-L23 HydrophobicContact CG2-CD1 3.87Å; I19-L23 HydrophobicContact CG2-CG 4.41Å; I19-L23 PolarHBondContact O-N 3.01Å; L23-L26 PolarHBondContact O-N 2.82Å; L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 PolarHBondContact O-N 2.94Å
24	C	90.7	Very high	82.6	Confident	63 Å²	63	98.1 Å²	98.1	43%	0.426	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-41	176.7	-149.3	0	0	0	0	110.9	G20 F21 L27 F28	G20-C24 VanDerWaalsContact O-CB 3.24Å; G20-C24 WeakPolarHBondContact O-CB 3.44Å; G20-C24 PolarHBondContact O-N 3.39Å; F21-C24 PolarHBondContact O-N 3.33Å; C24-L27 PolarHBondContact O-N 2.96Å; C24-F28 WeakPolarHBondContact O-CB 3.32Å; C24-F28 WeakPolarHBondContact O-CD2 3.46Å; C24-F28 PolarHBondContact O-N 2.84Å
25	Y	87.6	Confident	80.7	Confident	140 Å²	140	101 Å²	101	55%	0.549	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-43.8	173.4	175.7	-99.2	0	0	0	112	F21 F22 F28 S29	F21-Y25 VanDerWaalsContact O-CB 3.25Å; F21-Y25 WeakPolarHBondContact O-CB 3.11Å; F21-Y25 PolarHBondContact O-N 2.9Å; F22-Y25 PolarHBondContact O-N 2.74Å; Y25-F28 PolarHBondContact O-N 3.39Å; Y25-S29 VanDerWaalsContact O-CB 3.24Å; Y25-S29 WeakPolarHBondContact O-CB 3.27Å; Y25-S29 PolarHBondContact O-N 2.78Å
26	L	85.6	Confident	78.5	Confident	76 Å²	76	99.3 Å²	99.3	40%	0.398	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-41.6	175.8	-73.2	174.7	0	0	0	112.2	F22 L23 S29 M30	F22-L26 HydrophobicContact CD1-CD1 3.74Å; F22-L26 HydrophobicContact CD1-CG 4.21Å; F22-L26 HydrophobicContact CE1-CD1 3.65Å; F22-L26 HydrophobicContact CE1-CG 4.13Å; F22-L26 WeakPolarHBondContact O-CG 3.45Å; F22-L26 PolarHBondContact O-N 2.66Å; L23-L26 PolarHBondContact O-N 2.82Å; L26-S29 PolarHBondContact O-N 3.42Å; L26-M30 WeakPolarHBondContact O-CG 3.29Å; L26-M30 PolarHBondContact O-N 2.98Å
27	L	85.1	Confident	76.2	Confident	96 Å²	96	104.8 Å²	104.8	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-62.1	-46.9	173.9	-97.5	158.6	0	0	0	111.5	L23 C24 S29 M30 I31	L23-L27 WeakPolarHBondContact O-CB 3.3Å; L23-L27 PolarHBondContact O-N 2.94Å; C24-L27 PolarHBondContact O-N 2.96Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.34Å; L27-M30 HydrophobicContact CD2-CE 4.45Å; L27-M30 HydrophobicContact CG-CE 4.49Å; L27-M30 PolarHBondContact O-N 3.41Å; L27-I31 HydrophobicContact CD2-CD1 4.36Å; L27-I31 WeakPolarHBondContact O-CB 3.28Å; L27-I31 WeakPolarHBondContact O-CD1 3.5Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 3Å
28	F	81.3	Confident	73.8	Confident	124 Å²	124	108.8 Å²	108.8	54%	0.544	55%	0.552	S	S	.	*	H	α-helix	trans	-64	-37.7	174.9	-92.8	-74.9	0	0	0	111.7	C24 Y25 I31 L32	C24-F28 WeakPolarHBondContact O-CB 3.32Å; C24-F28 WeakPolarHBondContact O-CD2 3.46Å; C24-F28 PolarHBondContact O-N 2.84Å; Y25-F28 PolarHBondContact O-N 3.39Å; F28-I31 PolarHBondContact O-N 3.08Å; F28-L32 HydrophobicContact CB-CD1 4.43Å; F28-L32 HydrophobicContact CD1-CD1 3.69Å; F28-L32 WeakPolarHBondContact O-CA 3.47Å; F28-L32 WeakPolarHBondContact O-CB 3.39Å; F28-L32 VanDerWaalsContact O-CD1 3.26Å; F28-L32 WeakPolarHBondContact O-CD1 3.25Å; F28-L32 PolarHBondContact O-N 3.32Å
29	S	78.4	Confident	71.1	Confident	40 Å²	40	114.1 Å²	114.1	28%	0.28	57%	0.567	S	S	.	*	H	α-helix	trans	-66.9	-41.6	176.9	-165.2	0	0	0	0	111.5	Y25 L26 L27 L32 E33	Y25-S29 VanDerWaalsContact O-CB 3.24Å; Y25-S29 WeakPolarHBondContact O-CB 3.27Å; Y25-S29 PolarHBondContact O-N 2.78Å; L26-S29 PolarHBondContact O-N 3.42Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-S29 PolarHBondContact O-N 3.34Å; S29-L32 PolarHBondContact O-N 3.41Å; S29-E33 VanDerWaalsContact O-CB 3.27Å; S29-E33 WeakPolarHBondContact O-CB 3.22Å; S29-E33 PolarHBondContact O-N 3.25Å
30	M	76.1	Confident	68.7	Low	126 Å²	126	113.1 Å²	113.1	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-66.7	-38	175	-72.1	-171.6	-62.2	0	0	112.2	L26 L27	L26-M30 WeakPolarHBondContact O-CG 3.29Å; L26-M30 PolarHBondContact O-N 2.98Å; L27-M30 HydrophobicContact CD2-CE 4.45Å; L27-M30 HydrophobicContact CG-CE 4.49Å; L27-M30 PolarHBondContact O-N 3.41Å
31	I	72.9	Confident	66	Low	101 Å²	101	120 Å²	120	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-75.2	-34.3	177.7	-65.7	166.4	0	0	0	111.4	L27 F28	L27-I31 HydrophobicContact CD2-CD1 4.36Å; L27-I31 WeakPolarHBondContact O-CB 3.28Å; L27-I31 WeakPolarHBondContact O-CD1 3.5Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 3Å; F28-I31 PolarHBondContact O-N 3.08Å
32	L	62	Low	63.6	Low	100 Å²	100	118.8 Å²	118.8	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-84.3	-25.5	178.1	-94.3	87.1	0	0	0	113.9	F28 S29 E34 Q35 V36	F28-L32 HydrophobicContact CB-CD1 4.43Å; F28-L32 HydrophobicContact CD1-CD1 3.69Å; F28-L32 WeakPolarHBondContact O-CA 3.47Å; F28-L32 WeakPolarHBondContact O-CB 3.39Å; F28-L32 VanDerWaalsContact O-CD1 3.26Å; F28-L32 WeakPolarHBondContact O-CD1 3.25Å; F28-L32 PolarHBondContact O-N 3.32Å; S29-L32 PolarHBondContact O-N 3.41Å; L32-E34 PolarHBondContact O-N 3.21Å; L32-Q35 CarbonylContact O-C 3.59Å; L32-Q35 VanDerWaalsContact O-CA 3.26Å; L32-Q35 WeakPolarHBondContact O-CA 3.49Å; L32-Q35 PolarHBondContact O-N 3.45Å; L32-V36 PolarHBondContact O-N 3.08Å
33	E	55	Low	61.1	Low	144 Å²	144	118.1 Å²	118.1	67%	0.673	59%	0.589	S	S	*	*	H	α-helix	trans	-63.7	-30.4	171.6	-95.1	-177.5	140.2	0	0	111.1	S29 Q35	S29-E33 VanDerWaalsContact O-CB 3.27Å; S29-E33 WeakPolarHBondContact O-CB 3.22Å; S29-E33 PolarHBondContact O-N 3.25Å; E33-Q35 PolarHBondContact O-N 3.26Å
34	E	52.2	Low	58.7	Low	176 Å²	176	121.6 Å²	121.6	82%	0.822	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-15	168.6	-126.7	-177.1	-175.3	0	0	113	L32	L32-E34 PolarHBondContact O-N 3.21Å
35	Q	45.5	Very low	56.4	Low	114 Å²	114	120.2 Å²	120.2	53%	0.533	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.3	22.1	-179.6	-67.4	-79.3	-38.6	0	0	113.1	L32 E33 K37	L32-Q35 CarbonylContact O-C 3.59Å; L32-Q35 VanDerWaalsContact O-CA 3.26Å; L32-Q35 WeakPolarHBondContact O-CA 3.49Å; L32-Q35 PolarHBondContact O-N 3.45Å; E33-Q35 PolarHBondContact O-N 3.26Å; Q35-K37 PolarHBondContact O-N 3.16Å
36	V	43.4	Very low	54.6	Low	110 Å²	110	116.8 Å²	116.8	67%	0.667	58%	0.581	S	S	*	*			trans	-67.2	74.9	153.8	-176.7	0	0	0	0	106.4	L32 I38	L32-V36 PolarHBondContact O-N 3.08Å; V36-I38 HydrophobicContact CG1-CG1 4.48Å; V36-I38 PolarHBondContact O-N 2.81Å
37	K	43.2	Very low	52.8	Low	161 Å²	161	114.1 Å²	114.1	70%	0.7	57%	0.569	S	S	*	*			trans	-58.7	90	155.7	-81	175.6	177.1	169.8	0	104.2	Q35 Q39	Q35-K37 PolarHBondContact O-N 3.16Å; K37-Q39 PolarHBondContact O-N 3.39Å
38	I	39.9	Very low	51.3	Low	141 Å²	141	113.2 Å²	113.2	72%	0.723	56%	0.562	S	S	*	*			trans	-52	94.9	136	-56	174.8	0	0	0	102.5	V36 P40	V36-I38 HydrophobicContact CG1-CG1 4.48Å; V36-I38 PolarHBondContact O-N 2.81Å; I38-P40 WeakPolarHBondContact O-CD 3.23Å
39	Q	33.9	Very low	49.5	Very low	173 Å²	173	112.8 Å²	112.8	81%	0.808	57%	0.565	S	S	*	*			trans	-61	104.8	154.9	-131.1	167.9	-7.1	0	0	100.8	K37 H41	K37-Q39 PolarHBondContact O-N 3.39Å; Q39-H41 PolarHBondContact O-N 3.13Å
40	P	42.5	Very low	47.9	Very low	66 Å²	66	115.8 Å²	115.8	43%	0.429	58%	0.575	S	S	.	*			trans	-55.3	137.6	161.7	-5.6	24.2	0	0	0	102.2	I38 I42	I38-P40 WeakPolarHBondContact O-CD 3.23Å; P40-I42 HydrophobicContact CB-CG1 4.19Å; P40-I42 HydrophobicContact CG-CG1 4.21Å; P40-I42 PolarHBondContact O-N 2.74Å
41	H	36.1	Very low	46.5	Very low	184 Å²	184	112.2 Å²	112.2	85%	0.852	56%	0.556	S	S	*	*			trans	-58.6	95.4	153.3	-148.2	-34.8	0	0	0	102.8	Q39 L43	Q39-H41 PolarHBondContact O-N 3.13Å; H41-L43 PolarHBondContact O-N 3.13Å
42	I	43.8	Very low	45	Very low	127 Å²	127	110.7 Å²	110.7	65%	0.651	56%	0.555	S	S	*	*			trans	-68.4	86	174.7	-61.7	177.1	0	0	0	101.1	P40 H44	P40-I42 HydrophobicContact CB-CG1 4.19Å; P40-I42 HydrophobicContact CG-CG1 4.21Å; P40-I42 PolarHBondContact O-N 2.74Å; I42-H44 VanDerWaalsContact C-N 3.3Å; I42-H44 PolarHBondContact O-N 3.45Å
43	L	36.9	Very low	44.1	Very low	117 Å²	117	108.2 Å²	108.2	61%	0.613	55%	0.549	S	S	*	.			trans	-55.3	113.3	155.6	-152.4	71.1	0	0	0	101.8	H41 N45	H41-L43 PolarHBondContact O-N 3.13Å; L43-N45 VanDerWaalsContact CB-OD1 3.25Å; L43-N45 WeakPolarHBondContact CB-OD1 3.47Å; L43-N45 WeakPolarHBondContact CD2-OD1 3.29Å; L43-N45 WeakPolarHBondContact CG-OD1 3.44Å; L43-N45 PolarHBondContact O-N 3.31Å
44	H	39.7	Very low	43.7	Very low	174 Å²	174	105.2 Å²	105.2	81%	0.806	54%	0.537	S	S	*	.			trans	-71.3	64	-179.5	-154	-37.6	0	0	0	106.7	I42 D46	I42-H44 VanDerWaalsContact C-N 3.3Å; I42-H44 PolarHBondContact O-N 3.45Å; H44-D46 PolarHBondContact O-N 3.27Å
45	N	43.3	Very low	43.3	Very low	35 Å²	35	102.9 Å²	102.9	19%	0.187	54%	0.535	C	S	.	.			trans	-76.2	103.6	173.7	-68.4	15.8	0	0	0	103.8	L43 P47 Q50	L43-N45 VanDerWaalsContact CB-OD1 3.25Å; L43-N45 WeakPolarHBondContact CB-OD1 3.47Å; L43-N45 WeakPolarHBondContact CD2-OD1 3.29Å; L43-N45 WeakPolarHBondContact CG-OD1 3.44Å; L43-N45 PolarHBondContact O-N 3.31Å; N45-P47 VanDerWaalsContact O-CD 3.25Å; N45-P47 WeakPolarHBondContact O-CD 3.41Å; N45-P47 VanDerWaalsContact O-N 3.15Å; N45-Q50 VanDerWaalsContact CG-OE1 3.23Å; N45-Q50 PolarHBondContact OD1-OE1 3.35Å
46	D	49.1	Very low	43.3	Very low	67 Å²	67	99.8 Å²	99.8	36%	0.358	53%	0.534	S	S	.	.			trans	-54.4	120.1	158.4	-178.6	-15.9	0	0	0	106.7	H44 H48 D49 Q50	H44-D46 PolarHBondContact O-N 3.27Å; D46-H48 PolarHBondContact O-N 2.95Å; D46-H48 WeakPolarHBondContact OD1-CB 3.47Å; D46-H48 IonicContact OD1-CD2 3.27Å; D46-H48 IonicContact OD1-CG 2.81Å; D46-H48 PolarHBondContact OD1-N 3.45Å; D46-D49 HydrophobicContact CB-CB 3.51Å; D46-D49 PolarHBondContact O-N 3.03Å; D46-Q50 PolarHBondContact O-N 3.41Å
47	P	48.6	Very low	43.3	Very low	20 Å²	20	98.4 Å²	98.4	13%	0.13	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-15.1	178.1	-22.7	33.5	0	0	0	113.3	N45 F270 F285	N45-P47 VanDerWaalsContact O-CD 3.25Å; N45-P47 WeakPolarHBondContact O-CD 3.41Å; N45-P47 VanDerWaalsContact O-N 3.15Å; P47-F270 HydrophobicContact CB-CE1 4.43Å; P47-F285 HydrophobicContact CB-CZ 4.15Å; P47-F285 HydrophobicContact CG-CE1 4.43Å; P47-F285 HydrophobicContact CG-CE2 4.15Å; P47-F285 HydrophobicContact CG-CZ 3.76Å
48	H	52.8	Low	43.4	Very low	77 Å²	77	97.5 Å²	97.5	36%	0.356	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-15.4	177.9	-59.1	-61.8	0	0	0	114.2	D46 W286 Y311	D46-H48 PolarHBondContact O-N 2.95Å; D46-H48 WeakPolarHBondContact OD1-CB 3.47Å; D46-H48 IonicContact OD1-CD2 3.27Å; D46-H48 IonicContact OD1-CG 2.81Å; D46-H48 PolarHBondContact OD1-N 3.45Å; H48-W286 AromaticContact NE2-NE1 3.62Å; H48-Y311 PolarHBondContact CE1-OH 2.9Å; H48-Y311 AromaticContact ND1-CZ 3.61Å; H48-Y311 PolarHBondContact ND1-OH 3.21Å
49	D	44.3	Very low	44	Very low	116 Å²	116	97.1 Å²	97.1	62%	0.62	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-16	-161.6	-134	14.9	0	0	0	114.8	D46	D46-D49 HydrophobicContact CB-CB 3.51Å; D46-D49 PolarHBondContact O-N 3.03Å
50	Q	44.3	Very low	45.3	Very low	102 Å²	102	91.8 Å²	91.8	48%	0.477	52%	0.517	S	S	.	.	S	Bend	trans	-115.2	-8.3	-171.8	-90.9	-177.5	-3	0	0	119.1	N45 D46 S52	N45-Q50 VanDerWaalsContact CG-OE1 3.23Å; N45-Q50 PolarHBondContact OD1-OE1 3.35Å; D46-Q50 PolarHBondContact O-N 3.41Å; Q50-S52 VanDerWaalsContact C-N 3.33Å
51	H	46.9	Very low	45.8	Very low	51 Å²	51	98 Å²	98	24%	0.236	54%	0.54	C	S	.	.	S	Bend	trans	-87.3	-7.9	166.4	-70.7	-73.9	0	0	0	113	D313	H51-D313 IonicContact ND1-OD2 3.65Å; H51-D313 PolarHBondContact ND1-OD2 3.19Å; H51-D313 VanDerWaalsContact ND1-OD2 3.15Å
52	S	41.9	Very low	46.8	Very low	69 Å²	69	91.8 Å²	91.8	48%	0.483	53%	0.526	S	S	.	.	S	Bend	trans	-82.3	-14.7	177.7	-46.2	0	0	0	0	113.2	Q50 D54	Q50-S52 VanDerWaalsContact C-N 3.33Å; S52-D54 VanDerWaalsContact C-N 3.33Å; S52-D54 PolarHBondContact O-N 2.53Å
53	A	42.6	Very low	47.9	Very low	48 Å²	48	94.9 Å²	94.9	40%	0.397	54%	0.538	S	S	.	.			trans	-87.1	77.6	-174.5	0	0	0	0	0	110.1	T55	A53-T55 HydrophobicContact CB-CG2 3.82Å; A53-T55 PolarHBondContact O-N 2.69Å; A53-T55 PolarHBondContact O-OG1 2.77Å
54	D	47.5	Very low	49.7	Very low	82 Å²	82	93 Å²	93	44%	0.439	53%	0.527	S	S	.	.			trans	-66.3	48.8	154	-142.2	20.2	0	0	0	108.8	S52	S52-D54 VanDerWaalsContact C-N 3.33Å; S52-D54 PolarHBondContact O-N 2.53Å
55	T	43.8	Very low	51.6	Low	126 Å²	126	89.1 Å²	89.1	77%	0.773	51%	0.512	S	S	*	.			trans	-89.4	-5.7	-177.1	47.3	0	0	0	0	112.1	A53	A53-T55 HydrophobicContact CB-CG2 3.82Å; A53-T55 PolarHBondContact O-N 2.69Å; A53-T55 PolarHBondContact O-OG1 2.77Å
56	G	43.9	Very low	53.3	Low	49 Å²	49	88.5 Å²	88.5	51%	0.505	51%	0.508	S	S	.	.	S	Bend	trans	-84.9	114.3	164.3	0	0	0	0	0	109.5	N58	G56-N58 PolarHBondContact O-N 3.2Å
57	G	43.8	Very low	54.6	Low	82 Å²	82	89.4 Å²	89.4	85%	0.845	51%	0.513	S	S	*	.			trans	-62.5	27.6	-179.2	0	0	0	0	0	117.1	Q59	G57-Q59 VanDerWaalsContact C-N 3.35Å; G57-Q59 PolarHBondContact O-N 3.4Å
58	N	45.4	Very low	56	Low	142 Å²	142	92.4 Å²	92.4	76%	0.759	54%	0.539	S	S	*	.			trans	-93.3	70.5	172.2	-69.2	-15.8	0	0	0	109.1	G56 L60	G56-N58 PolarHBondContact O-N 3.2Å; N58-L60 PolarHBondContact O-N 2.9Å
59	Q	53.3	Low	57	Low	133 Å²	133	90.7 Å²	90.7	62%	0.621	53%	0.532	S	S	*	.			trans	-53.8	114.9	162.7	-169.6	173.9	10.9	0	0	106.6	G57 Q61	G57-Q59 VanDerWaalsContact C-N 3.35Å; G57-Q59 PolarHBondContact O-N 3.4Å; Q59-Q61 WeakPolarHBondContact O-CG 3.43Å; Q59-Q61 PolarHBondContact O-N 2.84Å
60	L	60.6	Low	58.4	Low	61 Å²	61	88.6 Å²	88.6	32%	0.319	53%	0.527	S	S	.	.			trans	-57.4	103.7	177.1	-71	168.7	0	0	0	107.8	N58 G62 M315 Y318	N58-L60 PolarHBondContact O-N 2.9Å; L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 2.86Å; L60-M315 HydrophobicContact CD1-SD 3.98Å; L60-M315 HydrophobicContact CD2-SD 4.2Å; L60-M315 HydrophobicContact CG-SD 4.49Å; L60-Y318 HydrophobicContact CD1-CD2 4.2Å; L60-Y318 HydrophobicContact CD1-CE2 3.62Å
61	Q	53.5	Low	59.7	Low	195 Å²	195	86 Å²	86	91%	0.911	53%	0.528	S	S	*	.			trans	-75.5	-18.2	-172.8	-73.5	178.3	0.3	0	0	112.3	Q59	Q59-Q61 WeakPolarHBondContact O-CG 3.43Å; Q59-Q61 PolarHBondContact O-N 2.84Å
62	G	57.8	Low	60.9	Low	54 Å²	54	90 Å²	90	56%	0.557	55%	0.546	S	S	*	.	S	Bend	trans	-93.2	140	177.8	0	0	0	0	0	112.6	L60 M64	L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 2.86Å; G62-M64 PolarHBondContact O-N 2.9Å
63	Q	66.6	Low	62.4	Low	193 Å²	193	87.3 Å²	87.3	90%	0.902	53%	0.526	S	S	*	.			trans	-74.4	107.6	166.8	-169.9	175.8	-2.1	0	0	108.7	N65	Q63-N65 PolarHBondContact O-N 3.41Å
64	M	74.4	Confident	63.9	Low	77 Å²	77	93.9 Å²	93.9	38%	0.379	55%	0.546	S	S	.	.			trans	-63.6	129	175.6	-70.4	-65.1	-70.9	0	0	110.1	G62 F66 Y318	G62-M64 PolarHBondContact O-N 2.9Å; M64-F66 HydrophobicContact CB-CE2 4.41Å; M64-F66 HydrophobicContact CE-CE2 3.69Å; M64-F66 HydrophobicContact CE-CZ 3.74Å; M64-Y318 HydrophobicContact CB-CD1 4.5Å; M64-Y318 HydrophobicContact CB-CE1 3.71Å; M64-Y318 HydrophobicContact CE-CD1 4.49Å; M64-Y318 HydrophobicContact CE-CG 4.47Å; M64-Y318 HydrophobicContact CG-CD1 4.45Å; M64-Y318 HydrophobicContact CG-CD2 4.41Å; M64-Y318 HydrophobicContact CG-CE1 3.85Å; M64-Y318 HydrophobicContact CG-CE2 3.86Å
65	N	78.6	Confident	65.3	Low	92 Å²	92	95.7 Å²	95.7	49%	0.492	56%	0.556	S	S	.	*			trans	-131.1	92.8	176.8	-179.2	12.7	0	0	0	110	Q63 N67 A68	Q63-N65 PolarHBondContact O-N 3.41Å; N65-N67 PolarHBondContact O-N 3.15Å; N65-N67 VanDerWaalsContact O-N 3.16Å; N65-N67 WeakPolarHBondContact OD1-CB 3.4Å; N65-N67 PolarHBondContact OD1-N 3.02Å; N65-A68 VanDerWaalsContact O-CB 3.22Å; N65-A68 WeakPolarHBondContact O-CB 3.4Å; N65-A68 PolarHBondContact O-N 2.74Å; N65-A68 VanDerWaalsContact O-N 3.1Å
66	F	79.6	Confident	66.8	Low	23 Å²	23	92.7 Å²	92.7	10%	0.101	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-4.4	174.9	-77.9	-85.2	0	0	0	113.5	M64 A68 T111 Y318 E321 H326	M64-F66 HydrophobicContact CB-CE2 4.41Å; M64-F66 HydrophobicContact CE-CE2 3.69Å; M64-F66 HydrophobicContact CE-CZ 3.74Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-T111 HydrophobicContact CE2-CG2 4.38Å; F66-Y318 HydrophobicContact CD2-CD1 4.38Å; F66-Y318 AromaticContact CE2-CD1 3.34Å; F66-Y318 HydrophobicContact CE2-CD1 3.34Å; F66-Y318 AromaticContact CE2-CE1 3.88Å; F66-Y318 HydrophobicContact CE2-CE1 3.88Å; F66-Y318 HydrophobicContact CE2-CG 4.17Å; F66-Y318 AromaticContact CZ-CD1 3.94Å; F66-Y318 HydrophobicContact CZ-CD1 3.94Å; F66-Y318 HydrophobicContact CZ-CG 4.37Å; F66-E321 HydrophobicContact CB-CG 4.32Å; F66-E321 HydrophobicContact CD1-CG 3.82Å; F66-E321 HydrophobicContact CD2-CG 3.82Å; F66-E321 HydrophobicContact CE1-CB 4.36Å; F66-E321 HydrophobicContact CE1-CG 4.05Å; F66-E321 HydrophobicContact CE2-CB 4.42Å; F66-E321 HydrophobicContact CE2-CG 4.1Å; F66-E321 HydrophobicContact CG-CG 3.69Å; F66-E321 HydrophobicContact CZ-CB 4.25Å; F66-E321 HydrophobicContact CZ-CG 4.18Å; F66-H326 AromaticContact CD1-CD2 3.76Å; F66-H326 AromaticContact CD1-CE1 3.98Å; F66-H326 AromaticContact CD1-NE2 3.51Å; F66-H326 AromaticContact CG-NE2 3.98Å; F66-H326 PolarHBondContact O-CE1 3.38Å
67	N	76.6	Confident	68.6	Low	86 Å²	86	96.4 Å²	96.4	46%	0.46	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4	170.9	-60.1	-55.7	0	0	0	112.8	N65 D69 S70 Q114	N65-N67 PolarHBondContact O-N 3.15Å; N65-N67 VanDerWaalsContact O-N 3.16Å; N65-N67 WeakPolarHBondContact OD1-CB 3.4Å; N65-N67 PolarHBondContact OD1-N 3.02Å; N67-D69 PolarHBondContact O-N 3.42Å; N67-S70 VanDerWaalsContact O-CB 3.23Å; N67-S70 WeakPolarHBondContact O-CB 3.32Å; N67-S70 PolarHBondContact O-N 3.48Å; N67-S70 VanDerWaalsContact O-N 3.14Å; N67-S70 PolarHBondContact O-OG 3.39Å; N67-Q114 PolarHBondContact ND2-OE1 3.44Å
68	A	78.3	Confident	70.5	Confident	83 Å²	83	96.7 Å²	96.7	69%	0.686	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29	-178	0	0	0	0	0	113.2	N65 F66	N65-A68 VanDerWaalsContact O-CB 3.22Å; N65-A68 WeakPolarHBondContact O-CB 3.4Å; N65-A68 PolarHBondContact O-N 2.74Å; N65-A68 VanDerWaalsContact O-N 3.1Å; F66-A68 VanDerWaalsContact C-N 3.32Å
69	D	72.6	Confident	72.5	Confident	40 Å²	40	95.3 Å²	95.3	21%	0.214	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8	176.7	69.6	-36.7	0	0	0	113	N67 G71 Q72 H73 H326	N67-D69 PolarHBondContact O-N 3.42Å; D69-G71 PolarHBondContact O-N 2.86Å; D69-Q72 HydrophobicContact CB-CG 4.44Å; D69-Q72 VanDerWaalsContact O-CB 3.28Å; D69-Q72 WeakPolarHBondContact O-CB 3.16Å; D69-Q72 PolarHBondContact O-N 3.09Å; D69-H73 PolarHBondContact O-CD2 2.86Å; D69-H73 VanDerWaalsContact O-CD2 3.3Å; D69-H73 IonicContact OD2-CD2 3.29Å; D69-H73 IonicContact OD2-CE1 2.73Å; D69-H73 IonicContact OD2-NE2 2.64Å; D69-H73 PolarHBondContact OD2-NE2 3.34Å; D69-H326 IonicContact OD1-CE1 3.8Å; D69-H326 PolarHBondContact OD1-CE1 2.86Å; D69-H326 VanDerWaalsContact OD1-CE1 3.31Å; D69-H326 IonicContact OD1-ND1 2.86Å; D69-H326 PolarHBondContact OD1-ND1 2.94Å; D69-H326 IonicContact OD2-CE1 3.09Å; D69-H326 IonicContact OD2-CG 3.89Å; D69-H326 IonicContact OD2-ND1 3.44Å; D69-H326 PolarHBondContact OD2-ND1 3.21Å
70	S	73.4	Confident	74.3	Confident	72 Å²	72	95.4 Å²	95.4	50%	0.503	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-50.2	-31.2	-179.1	55.9	0	0	0	0	114.1	N67 Q72 H73	N67-S70 VanDerWaalsContact O-CB 3.23Å; N67-S70 WeakPolarHBondContact O-CB 3.32Å; N67-S70 PolarHBondContact O-N 3.48Å; N67-S70 VanDerWaalsContact O-N 3.14Å; N67-S70 PolarHBondContact O-OG 3.39Å; S70-Q72 PolarHBondContact O-N 2.95Å; S70-H73 PolarHBondContact O-N 3.41Å
71	G	72.1	Confident	75.7	Confident	48 Å²	48	94.2 Å²	94.2	50%	0.495	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-66.1	-18	175.3	0	0	0	0	0	115.3	D69 H73	D69-G71 PolarHBondContact O-N 2.86Å; G71-H73 VanDerWaalsContact C-N 3.31Å
72	Q	73.2	Confident	77.6	Confident	134 Å²	134	90 Å²	90	63%	0.626	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-83.5	-7.4	175.7	-58.1	-175.1	-8	0	0	112.9	D69 S70 R328	D69-Q72 HydrophobicContact CB-CG 4.44Å; D69-Q72 VanDerWaalsContact O-CB 3.28Å; D69-Q72 WeakPolarHBondContact O-CB 3.16Å; D69-Q72 PolarHBondContact O-N 3.09Å; S70-Q72 PolarHBondContact O-N 2.95Å; Q72-R328 PolarHBondContact O-NH2 3.17Å
73	H	73.7	Confident	79.3	Confident	14 Å²	14	89.4 Å²	89.4	7%	0.065	49%	0.488	C	S	.	.			trans	-111.8	24.2	-173.8	-60.6	-66.2	0	0	0	113	D69 S70 G71 D75 E76 H326 R328	D69-H73 PolarHBondContact O-CD2 2.86Å; D69-H73 VanDerWaalsContact O-CD2 3.3Å; D69-H73 IonicContact OD2-CD2 3.29Å; D69-H73 IonicContact OD2-CE1 2.73Å; D69-H73 IonicContact OD2-NE2 2.64Å; D69-H73 PolarHBondContact OD2-NE2 3.34Å; S70-H73 PolarHBondContact O-N 3.41Å; G71-H73 VanDerWaalsContact C-N 3.31Å; H73-D75 PolarHBondContact O-N 2.88Å; H73-E76 HydrophobicContact CB-CG 4.07Å; H73-E76 IonicContact ND1-OE1 3.87Å; H73-E76 PolarHBondContact ND1-OE1 2.94Å; H73-E76 WeakPolarHBondContact O-CB 3.42Å; H73-E76 PolarHBondContact O-N 2.86Å; H73-H326 AromaticContact NE2-ND1 3.48Å; H73-H326 PolarHBondContact NE2-ND1 3.35Å; H73-R328 PolarHBondContact ND1-NH2 3.01Å
74	K	72.9	Confident	80.8	Confident	185 Å²	185	81.7 Å²	81.7	80%	0.804	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.6	-178.6	-70.3	-178.7	-178.5	-177.7	0	113.7	E76	K74-E76 VanDerWaalsContact C-N 3.32Å
75	D	76.3	Confident	81.8	Confident	121 Å²	121	81.5 Å²	81.5	65%	0.647	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.5	178.6	60.9	-52.2	0	0	0	113.1	H73 R328	H73-D75 PolarHBondContact O-N 2.88Å; D75-R328 VanDerWaalsContact CG-NH1 3.28Å; D75-R328 IonicContact OD1-CZ 3.87Å; D75-R328 IonicContact OD1-NH1 3.94Å; D75-R328 PolarHBondContact OD1-NH1 2.04Å; D75-R328 IonicContact OD2-NH1 3.04Å; D75-R328 PolarHBondContact OD2-NH1 2.92Å
76	E	76.8	Confident	82.7	Confident	63 Å²	63	83.4 Å²	83.4	29%	0.294	45%	0.454	S	S	.	.			trans	-73.9	127.3	-179.2	-64.4	-170.9	150	0	0	112.3	H73 K74 K78	H73-E76 HydrophobicContact CB-CG 4.07Å; H73-E76 IonicContact ND1-OE1 3.87Å; H73-E76 PolarHBondContact ND1-OE1 2.94Å; H73-E76 WeakPolarHBondContact O-CB 3.42Å; H73-E76 PolarHBondContact O-N 2.86Å; K74-E76 VanDerWaalsContact C-N 3.32Å; E76-K78 HydrophobicContact CB-CG 4.24Å; E76-K78 PolarHBondContact O-N 3.24Å; E76-K78 WeakPolarHBondContact OE2-CE 3.31Å; E76-K78 IonicContact OE2-NZ 2.74Å; E76-K78 PolarHBondContact OE2-NZ 2.83Å
77	N	81.3	Confident	83.5	Confident	126 Å²	126	89.4 Å²	89.4	67%	0.674	48%	0.481	S	S	*	.			trans	-81.8	102.2	169.5	-178.8	-4.9	0	0	0	110.3	N79	N77-N79 WeakPolarHBondContact OD1-CB 3.26Å; N77-N79 VanDerWaalsContact OD1-CG 3.24Å; N77-N79 PolarHBondContact OD1-N 2.92Å; N77-N79 VanDerWaalsContact OD1-N 3.16Å; N77-N79 PolarHBondContact OD1-ND2 3.12Å
78	K	83.9	Confident	84.6	Confident	88 Å²	88	85.6 Å²	85.6	38%	0.383	46%	0.46	S	S	.	.			trans	-98.1	2.2	-179.3	-61.9	-174.6	-177.7	-174.9	0	114.2	E76 I80 A81 E82	E76-K78 HydrophobicContact CB-CG 4.24Å; E76-K78 PolarHBondContact O-N 3.24Å; E76-K78 WeakPolarHBondContact OE2-CE 3.31Å; E76-K78 IonicContact OE2-NZ 2.74Å; E76-K78 PolarHBondContact OE2-NZ 2.83Å; K78-I80 VanDerWaalsContact C-N 3.29Å; K78-I80 PolarHBondContact O-N 2.65Å; K78-I80 VanDerWaalsContact O-N 3.12Å; K78-A81 PolarHBondContact O-N 3.36Å; K78-E82 HydrophobicContact CB-CG 3.99Å; K78-E82 WeakPolarHBondContact O-CB 3.39Å; K78-E82 WeakPolarHBondContact O-CG 3.02Å; K78-E82 PolarHBondContact O-N 3.47Å
79	N	87.8	Confident	85.6	Confident	113 Å²	113	86.2 Å²	86.2	60%	0.604	45%	0.447	S	S	*	.	H	α-helix	trans	-54.8	-40.8	-169.2	-66.3	-15.8	0	0	0	113.7	N77 G83	N77-N79 WeakPolarHBondContact OD1-CB 3.26Å; N77-N79 VanDerWaalsContact OD1-CG 3.24Å; N77-N79 PolarHBondContact OD1-N 2.92Å; N77-N79 VanDerWaalsContact OD1-N 3.16Å; N77-N79 PolarHBondContact OD1-ND2 3.12Å; N79-G83 PolarHBondContact O-N 3.22Å
80	I	89.4	Confident	86.8	Confident	135 Å²	135	84.3 Å²	84.3	69%	0.692	44%	0.437	S	S	*	.	H	α-helix	trans	-69.5	-48.5	179.5	-62.1	177.9	0	0	0	110.6	K78 G83 L84	K78-I80 VanDerWaalsContact C-N 3.29Å; K78-I80 PolarHBondContact O-N 2.65Å; K78-I80 VanDerWaalsContact O-N 3.12Å; I80-G83 PolarHBondContact O-N 2.64Å; I80-L84 HydrophobicContact CG2-CD1 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.48Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 2.89Å
81	A	90.6	Very high	88	Confident	36 Å²	36	80.9 Å²	80.9	30%	0.298	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-43	180	0	0	0	0	0	111.3	K78 L84 Y85	K78-A81 PolarHBondContact O-N 3.36Å; A81-L84 PolarHBondContact O-N 2.88Å; A81-Y85 WeakPolarHBondContact O-CB 3.47Å; A81-Y85 PolarHBondContact O-N 3.27Å
82	E	92.6	Very high	89.3	Confident	106 Å²	106	78.6 Å²	78.6	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.3	-72.1	175.7	178.9	0	0	112	K78 L84 Y85 Q86	K78-E82 HydrophobicContact CB-CG 3.99Å; K78-E82 WeakPolarHBondContact O-CB 3.39Å; K78-E82 WeakPolarHBondContact O-CG 3.02Å; K78-E82 PolarHBondContact O-N 3.47Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 2.88Å; E82-Y85 WeakPolarHBondContact O-CB 3.33Å; E82-Y85 PolarHBondContact O-N 3.14Å; E82-Y85 VanDerWaalsContact O-N 3.12Å; E82-Q86 WeakPolarHBondContact O-CG 3.43Å; E82-Q86 PolarHBondContact O-N 3.22Å
83	G	95.3	Very high	90.5	Very high	42 Å²	42	72.3 Å²	72.3	43%	0.433	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-42.4	174.9	0	0	0	0	0	112	N79 I80 Q86 K87	N79-G83 PolarHBondContact O-N 3.22Å; I80-G83 PolarHBondContact O-N 2.64Å; G83-Q86 PolarHBondContact O-N 2.89Å; G83-K87 VanDerWaalsContact O-CB 3.32Å; G83-K87 WeakPolarHBondContact O-CB 3.35Å; G83-K87 PolarHBondContact O-N 3.22Å
84	L	96.3	Very high	91.7	Very high	31 Å²	31	71.6 Å²	71.6	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-67.3	-38.7	173.5	-75.4	177.1	0	0	0	112.3	I80 A81 E82 Q86 K87 V88 R181 W182	I80-L84 HydrophobicContact CG2-CD1 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.48Å; I80-L84 WeakPolarHBondContact O-CG 3.38Å; I80-L84 PolarHBondContact O-N 2.89Å; A81-L84 PolarHBondContact O-N 2.88Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 2.88Å; L84-Q86 VanDerWaalsContact C-N 3.27Å; L84-Q86 PolarHBondContact O-N 3.19Å; L84-K87 PolarHBondContact O-N 3.31Å; L84-V88 HydrophobicContact CD2-CG2 4.48Å; L84-V88 WeakPolarHBondContact O-CB 3.48Å; L84-V88 PolarHBondContact O-N 3.04Å; L84-R181 HydrophobicContact CB-CB 4.09Å; L84-W182 HydrophobicContact CD1-CB 4.49Å
85	Y	97	Very high	92.9	Very high	74 Å²	74	63.2 Å²	63.2	29%	0.29	32%	0.321	S	S	.	.	H	α-helix	trans	-58.7	-39.6	176.5	-178.6	-82.8	0	0	0	112.4	A81 E82 R115 C116 N117	A81-Y85 WeakPolarHBondContact O-CB 3.47Å; A81-Y85 PolarHBondContact O-N 3.27Å; E82-Y85 WeakPolarHBondContact O-CB 3.33Å; E82-Y85 PolarHBondContact O-N 3.14Å; E82-Y85 VanDerWaalsContact O-N 3.12Å; Y85-R115 WeakPolarHBondContact CE2-O 3.25Å; Y85-C116 PolarHBondContact OH-O 3.15Å; Y85-N117 WeakPolarHBondContact CE1-ND2 3.34Å; Y85-N117 PolarHBondContact O-ND2 3.38Å; Y85-N117 VanDerWaalsContact O-ND2 3.07Å
86	Q	97.1	Very high	93.9	Very high	132 Å²	132	57.8 Å²	57.8	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-75.2	-37.2	176.8	-62.2	-57.5	-27.6	0	0	112.6	E82 G83 L84	E82-Q86 WeakPolarHBondContact O-CG 3.43Å; E82-Q86 PolarHBondContact O-N 3.22Å; G83-Q86 PolarHBondContact O-N 2.89Å; L84-Q86 VanDerWaalsContact C-N 3.27Å; L84-Q86 PolarHBondContact O-N 3.19Å
87	K	97.2	Very high	94.8	Very high	149 Å²	149	54.8 Å²	54.8	65%	0.648	28%	0.278	S	S	*	.	H	α-helix	trans	-80	-34.5	-175.8	-174.6	-178.7	177.3	-172.1	0	113.8	G83 L84	G83-K87 VanDerWaalsContact O-CB 3.32Å; G83-K87 WeakPolarHBondContact O-CB 3.35Å; G83-K87 PolarHBondContact O-N 3.22Å; L84-K87 PolarHBondContact O-N 3.31Å
88	V	98.4	Very high	95.5	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	26%	0.261	C	S	.	.	S	Bend	trans	-117.6	91.4	-174.3	-175.3	0	0	0	0	108.2	L84 I90 R181 L184	L84-V88 HydrophobicContact CD2-CG2 4.48Å; L84-V88 WeakPolarHBondContact O-CB 3.48Å; L84-V88 PolarHBondContact O-N 3.04Å; V88-I90 HydrophobicContact CG1-CD1 4.37Å; V88-I90 HydrophobicContact CG1-CG1 4.19Å; V88-I90 PolarHBondContact O-N 2.75Å; V88-R181 HydrophobicContact CB-CB 4.29Å; V88-R181 HydrophobicContact CB-CG 4.07Å; V88-R181 HydrophobicContact CG1-CB 4.43Å; V88-R181 HydrophobicContact CG1-CG 4.15Å; V88-R181 PolarHBondContact O-NE 3.32Å; V88-L184 HydrophobicContact CG1-CB 3.87Å; V88-L184 HydrophobicContact CG1-CD1 4.27Å
89	K	98.6	Very high	96	Very high	95 Å²	95	52 Å²	52	41%	0.413	27%	0.266	S	S	.	.			trans	-82.8	118.3	-177.3	-62.9	-179.3	-179.7	177.9	0	110.7	A163 D164 W165	K89-A163 HydrophobicContact CB-CB 4.48Å; K89-D164 WeakPolarHBondContact CB-OD2 3.35Å; K89-D164 PolarHBondContact N-OD2 2.91Å; K89-D164 VanDerWaalsContact N-OD2 3.17Å; K89-D164 PolarHBondContact O-N 2.8Å; K89-W165 PolarHBondContact O-N 3.05Å; K89-W165 VanDerWaalsContact O-N 3.11Å
90	I	98.9	Very high	96.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121	-177.6	-56.2	171.6	0	0	0	109.4	V88 N117 K118 W165 M167 L177 L180 R181 L184	V88-I90 HydrophobicContact CG1-CD1 4.37Å; V88-I90 HydrophobicContact CG1-CG1 4.19Å; V88-I90 PolarHBondContact O-N 2.75Å; I90-N117 PolarHBondContact N-OD1 3.45Å; I90-N117 WeakPolarHBondContact O-CB 3.41Å; I90-N117 PolarHBondContact O-N 2.93Å; I90-K118 PolarHBondContact O-N 3.18Å; I90-W165 WeakPolarHBondContact CA-O 3.47Å; I90-W165 HydrophobicContact CG1-CB 4.22Å; I90-M167 HydrophobicContact CG2-CB 3.98Å; I90-L177 HydrophobicContact CB-CD1 4.49Å; I90-L177 HydrophobicContact CD1-CD1 3.97Å; I90-L177 HydrophobicContact CG2-CD1 4.17Å; I90-L180 HydrophobicContact CD1-CB 4.49Å; I90-L180 HydrophobicContact CD1-CD2 3.97Å; I90-L180 HydrophobicContact CD1-CG 3.94Å; I90-R181 HydrophobicContact CD1-CG 3.51Å; I90-R181 HydrophobicContact CG1-CG 4.45Å; I90-L184 HydrophobicContact CD1-CD1 3.91Å; I90-L184 HydrophobicContact CG1-CD1 4.21Å
91	L	98.9	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.4	163.2	-173.6	155.3	0	0	0	108.4	W93 K118 L120 V155 Y159 A163 W165 F166 M167	L91-W93 HydrophobicContact CD2-CB 4.33Å; L91-K118 WeakPolarHBondContact CA-O 3.35Å; L91-K118 HydrophobicContact CB-CB 4.41Å; L91-K118 HydrophobicContact CD1-CB 4.19Å; L91-K118 HydrophobicContact CD1-CD 3.85Å; L91-K118 HydrophobicContact CD1-CG 4.03Å; L91-K118 HydrophobicContact CG-CB 4.03Å; L91-K118 HydrophobicContact CG-CG 4.16Å; L91-L120 HydrophobicContact CD1-CD1 4.38Å; L91-L120 HydrophobicContact CD2-CD1 4.07Å; L91-L120 HydrophobicContact CD2-CG 4.47Å; L91-V155 HydrophobicContact CD1-CG1 4.28Å; L91-V155 HydrophobicContact CD2-CG1 4.03Å; L91-V155 HydrophobicContact CD2-CG2 4.02Å; L91-Y159 VanDerWaalsContact CD1-CB 3.4Å; L91-Y159 HydrophobicContact CD1-CD2 4.35Å; L91-Y159 HydrophobicContact CD1-CG 3.98Å; L91-A163 HydrophobicContact CB-CB 3.62Å; L91-W165 PolarHBondContact N-O 3.37Å; L91-F166 HydrophobicContact CB-CD1 4.03Å; L91-F166 HydrophobicContact CB-CE1 4.31Å; L91-F166 HydrophobicContact CD1-CE1 4.47Å; L91-F166 HydrophobicContact CD2-CD1 4.4Å; L91-F166 CarbonylContact O-C 3.31Å; L91-F166 WeakPolarHBondContact O-CA 3.43Å; L91-M167 PolarHBondContact O-N 3.07Å
92	C	98.9	Very high	96.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135.3	172.3	-54.9	0	0	0	0	109	W112 C116 K118 I119 L120 M167	C92-W112 HydrophobicContact CB-CZ3 4.34Å; C92-C116 HydrophobicContact CB-CB 3.81Å; C92-C116 WeakPolarHBondContact CB-SG 3.47Å; C92-C116 WeakPolarHBondContact SG-CB 3.23Å; C92-C116 CovalentContact SG-SG 2.04Å; C92-C116 PolarHBondContact SG-SG 3.24Å; C92-K118 PolarHBondContact N-O 3.11Å; C92-I119 HydrophobicContact CB-CD1 3.68Å; C92-I119 CarbonylContact O-C 3.52Å; C92-I119 WeakPolarHBondContact O-CA 3.22Å; C92-L120 PolarHBondContact O-N 3.24Å; C92-M167 CarbonylContact C-O 3.53Å; C92-M167 WeakPolarHBondContact CA-O 3.36Å
93	W	98.7	Very high	96.6	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.8	164	68.3	-91.5	0	0	0	109.8	L91 M95 L120 M122 T148 A151 F152 V155 M167 K168 A169	L91-W93 HydrophobicContact CD2-CB 4.33Å; W93-M95 HydrophobicContact CH2-CE 3.81Å; W93-M95 HydrophobicContact CZ3-CB 4.05Å; W93-M95 HydrophobicContact CZ3-CE 3.6Å; W93-M95 HydrophobicContact CZ3-SD 4.27Å; W93-L120 CarbonylContact C-O 3.55Å; W93-L120 VanDerWaalsContact CA-O 3.26Å; W93-L120 WeakPolarHBondContact CA-O 3.36Å; W93-L120 HydrophobicContact CB-CB 4.16Å; W93-M122 HydrophobicContact CB-CE 3.9Å; W93-M122 HydrophobicContact CB-CG 4.1Å; W93-M122 HydrophobicContact CD2-CG 4.29Å; W93-M122 HydrophobicContact CE3-CB 4.16Å; W93-M122 HydrophobicContact CE3-CG 3.66Å; W93-M122 HydrophobicContact CG-CE 4.41Å; W93-M122 HydrophobicContact CZ3-CG 4.41Å; W93-T148 HydrophobicContact CH2-CG2 4.19Å; W93-T148 HydrophobicContact CZ2-CG2 4.32Å; W93-A151 HydrophobicContact CD2-CB 4.21Å; W93-A151 HydrophobicContact CE3-CB 3.94Å; W93-A151 HydrophobicContact CH2-CB 3.92Å; W93-A151 HydrophobicContact CZ2-CB 4.2Å; W93-A151 HydrophobicContact CZ3-CB 3.79Å; W93-F152 AromaticContact CE2-CE1 3.87Å; W93-F152 AromaticContact CE2-CZ 3.87Å; W93-F152 HydrophobicContact CZ2-CD1 4.4Å; W93-F152 HydrophobicContact CZ2-CD2 4.08Å; W93-F152 HydrophobicContact CZ2-CE1 4.03Å; W93-F152 AromaticContact CZ2-CE2 3.64Å; W93-F152 HydrophobicContact CZ2-CE2 3.64Å; W93-F152 HydrophobicContact CZ2-CG 4.44Å; W93-F152 AromaticContact CZ2-CZ 3.61Å; W93-F152 HydrophobicContact CZ2-CZ 3.61Å; W93-F152 AromaticContact NE1-CD1 3.7Å; W93-F152 AromaticContact NE1-CE1 3.14Å; W93-F152 AromaticContact NE1-CZ 3.52Å; W93-V155 HydrophobicContact CB-CG2 4.5Å; W93-V155 HydrophobicContact CG-CG2 4.41Å; W93-M167 PolarHBondContact N-O 3.17Å; W93-K168 HydrophobicContact CD2-CB 4.34Å; W93-K168 HydrophobicContact CD2-CG 4.25Å; W93-K168 HydrophobicContact CE3-CG 4.25Å; W93-K168 HydrophobicContact CH2-CB 4.05Å; W93-K168 HydrophobicContact CH2-CD 4.37Å; W93-K168 HydrophobicContact CH2-CG 3.21Å; W93-K168 HydrophobicContact CZ2-CB 3.44Å; W93-K168 VanDerWaalsContact CZ2-CB 3.44Å; W93-K168 HydrophobicContact CZ2-CG 3.15Å; W93-K168 HydrophobicContact CZ3-CG 3.77Å; W93-A169 PolarHBondContact O-N 2.82Å; W93-A169 VanDerWaalsContact O-N 3.1Å
94	V	98.8	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121	-174.6	176.9	0	0	0	0	108.4	V108 W112 I119 L120 F121 M122 A169 D171	V94-V108 HydrophobicContact CG1-CG1 4.46Å; V94-V108 HydrophobicContact CG2-CG1 3.89Å; V94-W112 HydrophobicContact CG2-CH2 3.72Å; V94-W112 HydrophobicContact CG2-CZ2 4.03Å; V94-I119 HydrophobicContact CG2-CD1 3.79Å; V94-L120 PolarHBondContact N-O 2.94Å; V94-F121 HydrophobicContact CB-CD1 3.82Å; V94-F121 HydrophobicContact CB-CE1 4.06Å; V94-F121 HydrophobicContact CG1-CD1 4.11Å; V94-F121 HydrophobicContact CG1-CE1 4.27Å; V94-F121 HydrophobicContact CG2-CD1 4.38Å; V94-F121 HydrophobicContact CG2-CE1 4.15Å; V94-M122 PolarHBondContact O-N 3.44Å; V94-A169 WeakPolarHBondContact CA-O 3.26Å; V94-D171 HydrophobicContact CG1-CB 4.05Å
95	M	98.1	Very high	96.6	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.3	172.2	-173.2	68.5	80.2	0	0	109.3	W93 L144 K147 T148 A169 D171	W93-M95 HydrophobicContact CH2-CE 3.81Å; W93-M95 HydrophobicContact CZ3-CB 4.05Å; W93-M95 HydrophobicContact CZ3-CE 3.6Å; W93-M95 HydrophobicContact CZ3-SD 4.27Å; M95-L144 HydrophobicContact CG-CD2 4.42Å; M95-K147 HydrophobicContact CE-CB 3.53Å; M95-K147 HydrophobicContact SD-CB 3.58Å; M95-K147 VanDerWaalsContact SD-CB 3.58Å; M95-K147 HydrophobicContact SD-CD 3.71Å; M95-K147 HydrophobicContact SD-CG 4.27Å; M95-T148 WeakPolarHBondContact CE-OG1 3.39Å; M95-A169 PolarHBondContact N-O 3.24Å; M95-D171 PolarHBondContact O-N 3.32Å
96	T	97.3	Very high	96.5	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.043	20%	0.2	C	C	.	.			trans	-148.2	-170.5	176.6	-164.1	0	0	0	0	111.4	N100 L101 A105 F121 M122 K147 D171	T96-N100 WeakPolarHBondContact OG1-CB 3.44Å; T96-L101 HydrophobicContact CG2-CD2 3.73Å; T96-A105 HydrophobicContact CG2-CB 4.41Å; T96-F121 HydrophobicContact CG2-CB 4.46Å; T96-M122 PolarHBondContact N-O 2.75Å; T96-K147 PolarHBondContact O-NZ 3.1Å; T96-K147 VanDerWaalsContact O-NZ 3.14Å; T96-D171 WeakPolarHBondContact CA-OD2 3.49Å; T96-D171 WeakPolarHBondContact CB-OD2 3.42Å; T96-D171 PolarHBondContact OG1-OD2 3.14Å
97	G	95.9	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.			trans	-151.5	165.9	174.1	0	0	0	0	0	111.2	Q99 N100 L101	G97-Q99 PolarHBondContact O-N 3.32Å; G97-Q99 VanDerWaalsContact O-N 3.12Å; G97-N100 PolarHBondContact O-N 2.84Å; G97-L101 PolarHBondContact O-N 3.32Å
98	P	95.6	Very high	96.4	Very high	49 Å²	49	29.7 Å²	29.7	32%	0.318	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-53.2	-38.1	-174.3	-28.4	36.4	0	0	0	113.8	N100 S123 S124 E125 E139	P98-N100 VanDerWaalsContact C-N 3.27Å; P98-N100 PolarHBondContact O-N 2.99Å; P98-S123 WeakPolarHBondContact CD-OG 3.32Å; P98-S124 VanDerWaalsContact CD-OG 3.26Å; P98-S124 WeakPolarHBondContact CD-OG 3.29Å; P98-E125 HydrophobicContact CG-CB 4.2Å; P98-E125 HydrophobicContact CG-CG 4.44Å; P98-E139 VanDerWaalsContact CD-OE1 3.31Å; P98-E139 WeakPolarHBondContact CD-OE1 2.83Å
99	Q	94.3	Very high	96.3	Very high	106 Å²	106	34 Å²	34	50%	0.495	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-71	-18.1	179.9	72.2	-76.4	5.1	0	0	114.5	G97	G97-Q99 PolarHBondContact O-N 3.32Å; G97-Q99 VanDerWaalsContact O-N 3.12Å
100	N	95.3	Very high	96.1	Very high	35 Å²	35	30.2 Å²	30.2	19%	0.187	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-102	-7.6	-174.9	-73.7	-5.1	0	0	0	113.3	T96 G97 P98 E102 K103 K104 A105 D171	T96-N100 WeakPolarHBondContact OG1-CB 3.44Å; G97-N100 PolarHBondContact O-N 2.84Å; P98-N100 VanDerWaalsContact C-N 3.27Å; P98-N100 PolarHBondContact O-N 2.99Å; N100-E102 VanDerWaalsContact C-N 3.35Å; N100-E102 PolarHBondContact O-N 3.12Å; N100-K103 PolarHBondContact O-N 2.75Å; N100-K104 HydrophobicContact CB-CB 4.29Å; N100-K104 HydrophobicContact CB-CD 4.45Å; N100-K104 WeakPolarHBondContact O-CA 3.46Å; N100-K104 WeakPolarHBondContact O-CB 3.37Å; N100-K104 PolarHBondContact O-N 3.16Å; N100-A105 PolarHBondContact O-N 2.82Å; N100-D171 WeakPolarHBondContact CB-OD2 3.29Å; N100-D171 PolarHBondContact ND2-OD2 3Å
101	L	94.8	Very high	95.9	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	15%	0.145	C	C	.	.	I	π-helix	trans	-57.3	-49.5	-175.2	-56.8	-176.9	0	0	0	111.6	T96 G97 A105 K106 N127 F130 T132	T96-L101 HydrophobicContact CG2-CD2 3.73Å; G97-L101 PolarHBondContact O-N 3.32Å; L101-A105 HydrophobicContact CD2-CB 4.29Å; L101-K106 PolarHBondContact O-N 3.49Å; L101-N127 HydrophobicContact CD1-CB 3.95Å; L101-F130 HydrophobicContact CB-CD1 4.47Å; L101-F130 HydrophobicContact CB-CG 4.44Å; L101-F130 HydrophobicContact CD1-CB 4.32Å; L101-F130 HydrophobicContact CD2-CD1 3.91Å; L101-F130 HydrophobicContact CD2-CE1 4.29Å; L101-T132 HydrophobicContact CD1-CG2 4.24Å; L101-T132 HydrophobicContact CD2-CG2 3.56Å
102	E	91.6	Very high	95.8	Very high	103 Å²	103	30.2 Å²	30.2	48%	0.481	15%	0.146	S	C	.	.	I	π-helix	trans	-79.5	-23	179.6	-77	-55.5	134	0	0	114.6	N100 K106	N100-E102 VanDerWaalsContact C-N 3.35Å; N100-E102 PolarHBondContact O-N 3.12Å; E102-K106 VanDerWaalsContact O-CD 3.29Å; E102-K106 WeakPolarHBondContact O-CD 3.46Å; E102-K106 WeakPolarHBondContact O-CE 3Å; E102-K106 PolarHBondContact O-NZ 3.05Å; E102-K106 WeakPolarHBondContact OE2-CD 3.44Å; E102-K106 IonicContact OE2-NZ 2.77Å; E102-K106 PolarHBondContact OE2-NZ 3.18Å
103	K	91.7	Very high	95.7	Very high	112 Å²	112	30.4 Å²	30.4	49%	0.487	15%	0.147	S	C	.	.	I	π-helix	trans	-96	-25.6	-174.2	-62.4	-176.8	-179.5	-177.2	0	113.3	N100 H107	N100-K103 PolarHBondContact O-N 2.75Å; K103-H107 PolarHBondContact O-CD2 3.1Å
104	K	95.2	Very high	95.6	Very high	43 Å²	43	34.1 Å²	34.1	19%	0.187	16%	0.164	C	C	.	.	I	π-helix	trans	-136.5	-60.7	-170	-65	-167.5	176.2	-168.4	0	112.2	N100 K106 H107 V108 D171 D172	N100-K104 HydrophobicContact CB-CB 4.29Å; N100-K104 HydrophobicContact CB-CD 4.45Å; N100-K104 WeakPolarHBondContact O-CA 3.46Å; N100-K104 WeakPolarHBondContact O-CB 3.37Å; N100-K104 PolarHBondContact O-N 3.16Å; K104-K106 VanDerWaalsContact C-N 3.29Å; K104-K106 PolarHBondContact O-N 3.11Å; K104-H107 WeakPolarHBondContact O-CB 3.07Å; K104-H107 PolarHBondContact O-N 3.15Å; K104-V108 PolarHBondContact O-N 3.39Å; K104-D171 HydrophobicContact CB-CB 3.92Å; K104-D171 WeakPolarHBondContact CB-O 3.39Å; K104-D171 HydrophobicContact CD-CB 4.39Å; K104-D171 WeakPolarHBondContact CD-OD1 3.3Å; K104-D171 IonicContact NZ-OD1 2.8Å; K104-D172 HydrophobicContact CD-CB 4.46Å; K104-D172 IonicContact NZ-OD2 3.01Å; K104-D172 PolarHBondContact NZ-OD2 2.85Å
105	A	96.3	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-61.2	-35.3	-169.4	0	0	0	0	0	113.3	T96 N100 L101 H107 V108 K109 F121 F130	T96-A105 HydrophobicContact CG2-CB 4.41Å; N100-A105 PolarHBondContact O-N 2.82Å; L101-A105 HydrophobicContact CD2-CB 4.29Å; A105-H107 VanDerWaalsContact C-N 3.26Å; A105-H107 PolarHBondContact O-N 2.9Å; A105-V108 WeakPolarHBondContact O-CB 3.3Å; A105-V108 PolarHBondContact O-N 3Å; A105-K109 PolarHBondContact O-N 3.16Å; A105-F121 HydrophobicContact CB-CD1 4.05Å; A105-F121 HydrophobicContact CB-CE1 4.23Å; A105-F130 HydrophobicContact CB-CE1 3.71Å; A105-F130 HydrophobicContact CB-CZ 3.66Å
106	K	94.9	Very high	95.4	Very high	44 Å²	44	36.4 Å²	36.4	19%	0.191	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-31.7	174.8	77.3	177.2	-176.2	-158.4	0	113.7	L101 E102 K104 K109 A110 F130	L101-K106 PolarHBondContact O-N 3.49Å; E102-K106 VanDerWaalsContact O-CD 3.29Å; E102-K106 WeakPolarHBondContact O-CD 3.46Å; E102-K106 WeakPolarHBondContact O-CE 3Å; E102-K106 PolarHBondContact O-NZ 3.05Å; E102-K106 WeakPolarHBondContact OE2-CD 3.44Å; E102-K106 IonicContact OE2-NZ 2.77Å; E102-K106 PolarHBondContact OE2-NZ 3.18Å; K104-K106 VanDerWaalsContact C-N 3.29Å; K104-K106 PolarHBondContact O-N 3.11Å; K106-K109 PolarHBondContact O-N 3.35Å; K106-A110 VanDerWaalsContact O-CB 3.28Å; K106-A110 WeakPolarHBondContact O-CB 3.13Å; K106-A110 PolarHBondContact O-N 3.09Å; K106-F130 HydrophobicContact CB-CE2 3.97Å
107	H	95.1	Very high	95.5	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-75.5	-38.7	179.3	-56.5	-66.5	0	0	0	110.7	K103 K104 A105 A110 T111 S314 M317 Y318	K103-H107 PolarHBondContact O-CD2 3.1Å; K104-H107 WeakPolarHBondContact O-CB 3.07Å; K104-H107 PolarHBondContact O-N 3.15Å; A105-H107 VanDerWaalsContact C-N 3.26Å; A105-H107 PolarHBondContact O-N 2.9Å; H107-A110 PolarHBondContact O-N 3.14Å; H107-T111 WeakPolarHBondContact O-CB 3.48Å; H107-T111 WeakPolarHBondContact O-CG2 3.11Å; H107-T111 PolarHBondContact O-N 3.16Å; H107-T111 VanDerWaalsContact O-N 3.11Å; H107-T111 PolarHBondContact O-OG1 3.49Å; H107-S314 WeakPolarHBondContact CD2-CB 3.49Å; H107-M317 HydrophobicContact CB-SD 4.06Å; H107-Y318 AromaticContact ND1-CE2 3.36Å; H107-Y318 WeakPolarHBondContact ND1-CE2 3.47Å; H107-Y318 AromaticContact ND1-CZ 3.32Å; H107-Y318 VanDerWaalsContact ND1-CZ 3.32Å; H107-Y318 PolarHBondContact ND1-OH 3.34Å
108	V	97.2	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-50.1	167.8	170.9	0	0	0	0	110.8	V94 K104 A105 A110 T111 W112 A113 F121 M317	V94-V108 HydrophobicContact CG1-CG1 4.46Å; V94-V108 HydrophobicContact CG2-CG1 3.89Å; K104-V108 PolarHBondContact O-N 3.39Å; A105-V108 WeakPolarHBondContact O-CB 3.3Å; A105-V108 PolarHBondContact O-N 3Å; V108-A110 VanDerWaalsContact C-N 3.28Å; V108-A110 PolarHBondContact O-N 3.13Å; V108-T111 PolarHBondContact O-N 3.17Å; V108-T111 PolarHBondContact O-OG1 2.94Å; V108-W112 HydrophobicContact CB-CZ2 4.49Å; V108-W112 HydrophobicContact CG1-CD2 4.31Å; V108-W112 VanDerWaalsContact CG1-CE2 3.49Å; V108-W112 HydrophobicContact CG1-CH2 4.08Å; V108-W112 HydrophobicContact CG1-CZ2 3.36Å; V108-W112 HydrophobicContact CG2-CZ2 4.42Å; V108-A113 HydrophobicContact CG1-CB 3.9Å; V108-A113 WeakPolarHBondContact O-CB 3.46Å; V108-A113 PolarHBondContact O-N 2.04Å; V108-F121 HydrophobicContact CB-CE1 4.32Å; V108-F121 HydrophobicContact CG1-CE1 3.99Å; V108-F121 HydrophobicContact CG1-CZ 4.37Å; V108-M317 HydrophobicContact CG2-CE 3.61Å; V108-M317 HydrophobicContact CG2-SD 3.79Å
109	K	95.7	Very high	95.7	Very high	95 Å²	95	41.7 Å²	41.7	41%	0.413	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-37.4	177.4	-170	177.7	177.9	-179.7	0	112.7	A105 K106 T111 Q114 F121 F130	A105-K109 PolarHBondContact O-N 3.16Å; K106-K109 PolarHBondContact O-N 3.35Å; K109-T111 VanDerWaalsContact C-N 3.32Å; K109-Q114 WeakPolarHBondContact O-CG 3.45Å; K109-F121 HydrophobicContact CB-CE2 4.18Å; K109-F121 HydrophobicContact CB-CZ 3.66Å; K109-F121 HydrophobicContact CD-CE2 4.29Å; K109-F121 HydrophobicContact CG-CE2 4.18Å; K109-F121 HydrophobicContact CG-CZ 4.14Å; K109-F130 HydrophobicContact CB-CE2 4.34Å; K109-F130 HydrophobicContact CB-CZ 4.21Å; K109-F130 HydrophobicContact CD-CE2 3.74Å; K109-F130 HydrophobicContact CD-CZ 4.01Å
110	A	94.1	Very high	95.9	Very high	16 Å²	16	37.4 Å²	37.4	13%	0.132	18%	0.176	C	C	.	.	H	α-helix	trans	-79.3	-10.9	-178.7	0	0	0	0	0	114.1	K106 H107 V108 Q114 Y318	K106-A110 VanDerWaalsContact O-CB 3.28Å; K106-A110 WeakPolarHBondContact O-CB 3.13Å; K106-A110 PolarHBondContact O-N 3.09Å; H107-A110 PolarHBondContact O-N 3.14Å; V108-A110 VanDerWaalsContact C-N 3.28Å; V108-A110 PolarHBondContact O-N 3.13Å; A110-Q114 PolarHBondContact O-NE2 3.06Å; A110-Y318 HydrophobicContact CB-CE1 4.22Å
111	T	96	Very high	96.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-115.1	-175.5	56.5	0	0	0	0	111.2	F66 H107 V108 K109 A113 Q114 M317 Y318 E321	F66-T111 HydrophobicContact CE2-CG2 4.38Å; H107-T111 WeakPolarHBondContact O-CB 3.48Å; H107-T111 WeakPolarHBondContact O-CG2 3.11Å; H107-T111 PolarHBondContact O-N 3.16Å; H107-T111 VanDerWaalsContact O-N 3.11Å; H107-T111 PolarHBondContact O-OG1 3.49Å; V108-T111 PolarHBondContact O-N 3.17Å; V108-T111 PolarHBondContact O-OG1 2.94Å; K109-T111 VanDerWaalsContact C-N 3.32Å; T111-A113 VanDerWaalsContact C-N 3.25Å; T111-A113 PolarHBondContact O-N 3.04Å; T111-A113 VanDerWaalsContact O-N 3.13Å; T111-Q114 WeakPolarHBondContact O-CB 3.34Å; T111-Q114 WeakPolarHBondContact O-CG 3.21Å; T111-Q114 PolarHBondContact O-N 2.9Å; T111-Q114 VanDerWaalsContact O-N 3.16Å; T111-M317 HydrophobicContact CG2-CB 4.45Å; T111-Y318 HydrophobicContact CG2-CD1 3.33Å; T111-Y318 HydrophobicContact CG2-CE1 3.44Å; T111-Y318 VanDerWaalsContact CG2-CE1 3.44Å; T111-E321 WeakPolarHBondContact CA-OE2 3.33Å; T111-E321 WeakPolarHBondContact CB-OE2 3.3Å; T111-E321 HydrophobicContact CG2-CB 4.09Å; T111-E321 HydrophobicContact CG2-CG 4.22Å
112	W	97.3	Very high	96.3	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.7	-28.4	-166.8	64.9	-98	0	0	0	114	C92 V94 V108 Q114 R115 A169 T173 Y174 V175 L177 E321	C92-W112 HydrophobicContact CB-CZ3 4.34Å; V94-W112 HydrophobicContact CG2-CH2 3.72Å; V94-W112 HydrophobicContact CG2-CZ2 4.03Å; V108-W112 HydrophobicContact CB-CZ2 4.49Å; V108-W112 HydrophobicContact CG1-CD2 4.31Å; V108-W112 VanDerWaalsContact CG1-CE2 3.49Å; V108-W112 HydrophobicContact CG1-CH2 4.08Å; V108-W112 HydrophobicContact CG1-CZ2 3.36Å; V108-W112 HydrophobicContact CG2-CZ2 4.42Å; W112-Q114 PolarHBondContact O-N 3.03Å; W112-Q114 VanDerWaalsContact O-N 3.14Å; W112-R115 PolarHBondContact O-N 3.15Å; W112-A169 HydrophobicContact CH2-CB 3.71Å; W112-A169 HydrophobicContact CZ2-CB 3.96Å; W112-T173 PolarHBondContact NE1-O 3.3Å; W112-Y174 HydrophobicContact CB-CD2 4.35Å; W112-Y174 HydrophobicContact CB-CE1 4.44Å; W112-Y174 HydrophobicContact CB-CE2 4.03Å; W112-Y174 AromaticContact CD1-CD2 3.57Å; W112-Y174 HydrophobicContact CG-CD2 4.29Å; W112-Y174 HydrophobicContact CG-CE2 4.42Å; W112-V175 VanDerWaalsContact CB-O 3.23Å; W112-V175 WeakPolarHBondContact CB-O 3.33Å; W112-V175 HydrophobicContact CD2-CB 4.05Å; W112-V175 HydrophobicContact CD2-CG2 4.26Å; W112-V175 HydrophobicContact CE3-CB 3.83Å; W112-V175 HydrophobicContact CE3-CG2 4.15Å; W112-V175 HydrophobicContact CH2-CG2 3.97Å; W112-V175 HydrophobicContact CZ2-CG2 4.06Å; W112-V175 HydrophobicContact CZ3-CB 4.09Å; W112-V175 HydrophobicContact CZ3-CG2 4.01Å; W112-L177 HydrophobicContact CE3-CD2 3.63Å; W112-L177 HydrophobicContact CZ3-CD2 4.16Å; W112-E321 PolarHBondContact N-OE2 3.27Å
113	A	96.9	Very high	96.6	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-64.5	-20.3	-178.6	0	0	0	0	0	113	V108 T111 R115 C116 I119	V108-A113 HydrophobicContact CG1-CB 3.9Å; V108-A113 WeakPolarHBondContact O-CB 3.46Å; V108-A113 PolarHBondContact O-N 2.04Å; T111-A113 VanDerWaalsContact C-N 3.25Å; T111-A113 PolarHBondContact O-N 3.04Å; T111-A113 VanDerWaalsContact O-N 3.13Å; A113-R115 PolarHBondContact O-N 2.57Å; A113-R115 VanDerWaalsContact O-N 3.17Å; A113-C116 WeakPolarHBondContact O-CB 3.45Å; A113-C116 PolarHBondContact O-N 2.89Å; A113-C116 VanDerWaalsContact O-N 3.16Å; A113-I119 HydrophobicContact CB-CD1 3.95Å; A113-I119 HydrophobicContact CB-CG1 4.03Å
114	Q	94.6	Very high	96.8	Very high	78 Å²	78	25.9 Å²	25.9	36%	0.364	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-61.2	-21.2	173.9	-62.5	-171.1	22.2	0	0	112.9	N67 K109 A110 T111 W112	N67-Q114 PolarHBondContact ND2-OE1 3.44Å; K109-Q114 WeakPolarHBondContact O-CG 3.45Å; A110-Q114 PolarHBondContact O-NE2 3.06Å; T111-Q114 WeakPolarHBondContact O-CB 3.34Å; T111-Q114 WeakPolarHBondContact O-CG 3.21Å; T111-Q114 PolarHBondContact O-N 2.9Å; T111-Q114 VanDerWaalsContact O-N 3.16Å; W112-Q114 PolarHBondContact O-N 3.03Å; W112-Q114 VanDerWaalsContact O-N 3.14Å
115	R	96.4	Very high	96.8	Very high	49 Å²	49	29.9 Å²	29.9	19%	0.185	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-93.8	1.9	-179.4	-65.4	174.4	-174.4	71.4	-0.3	113.5	Y85 W112 A113 L177 R181 E321 Y325	Y85-R115 WeakPolarHBondContact CE2-O 3.25Å; W112-R115 PolarHBondContact O-N 3.15Å; A113-R115 PolarHBondContact O-N 2.57Å; A113-R115 VanDerWaalsContact O-N 3.17Å; R115-L177 HydrophobicContact CB-CB 3.88Å; R115-L177 HydrophobicContact CB-CG 4.19Å; R115-R181 PolarHBondContact O-NH1 3.2Å; R115-R181 VanDerWaalsContact O-NH1 3.12Å; R115-R181 PolarHBondContact O-NH2 3.4Å; R115-E321 IonicContact CZ-OE1 3.6Å; R115-E321 IonicContact NH1-OE1 3.8Å; R115-E321 PolarHBondContact NH1-OE1 2.97Å; R115-E321 IonicContact NH1-OE2 3.15Å; R115-E321 PolarHBondContact NH1-OE2 2.91Å; R115-E321 IonicContact NH2-OE1 2.86Å; R115-E321 PolarHBondContact NH2-OE1 3Å; R115-Y325 WeakPolarHBondContact CD-OH 3.47Å; R115-Y325 VanDerWaalsContact CZ-CD2 3.43Å; R115-Y325 VanDerWaalsContact CZ-CE2 3.45Å
116	C	98.1	Very high	96.8	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.054	17%	0.172	C	C	.	.	S	Bend	trans	-74.7	152.3	171.4	-61.8	0	0	0	0	110.6	Y85 C92 A113 K118 I119	Y85-C116 PolarHBondContact OH-O 3.15Å; C92-C116 HydrophobicContact CB-CB 3.81Å; C92-C116 WeakPolarHBondContact CB-SG 3.47Å; C92-C116 WeakPolarHBondContact SG-CB 3.23Å; C92-C116 CovalentContact SG-SG 2.04Å; C92-C116 PolarHBondContact SG-SG 3.24Å; A113-C116 WeakPolarHBondContact O-CB 3.45Å; A113-C116 PolarHBondContact O-N 2.89Å; A113-C116 VanDerWaalsContact O-N 3.16Å; C116-K118 WeakPolarHBondContact CB-O 3.39Å; C116-I119 HydrophobicContact CB-CB 4.4Å
117	N	98.3	Very high	96.9	Very high	44 Å²	44	36.8 Å²	36.8	24%	0.235	18%	0.177	C	C	.	.	S	Bend	trans	-74.8	-34.9	171.6	-61.7	82	0	0	0	110.5	Y85 I90 R181	Y85-N117 WeakPolarHBondContact CE1-ND2 3.34Å; Y85-N117 PolarHBondContact O-ND2 3.38Å; Y85-N117 VanDerWaalsContact O-ND2 3.07Å; I90-N117 PolarHBondContact N-OD1 3.45Å; I90-N117 WeakPolarHBondContact O-CB 3.41Å; I90-N117 PolarHBondContact O-N 2.93Å; N117-R181 PolarHBondContact OD1-NH2 2.91Å
118	K	98.4	Very high	96.7	Very high	66 Å²	66	44.6 Å²	44.6	29%	0.287	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.6	168.8	-177.8	162.9	-76.1	-159.1	0	109.1	I90 L91 C92 C116 Y159 D162	I90-K118 PolarHBondContact O-N 3.18Å; L91-K118 WeakPolarHBondContact CA-O 3.35Å; L91-K118 HydrophobicContact CB-CB 4.41Å; L91-K118 HydrophobicContact CD1-CB 4.19Å; L91-K118 HydrophobicContact CD1-CD 3.85Å; L91-K118 HydrophobicContact CD1-CG 4.03Å; L91-K118 HydrophobicContact CG-CB 4.03Å; L91-K118 HydrophobicContact CG-CG 4.16Å; C92-K118 PolarHBondContact N-O 3.11Å; C116-K118 WeakPolarHBondContact CB-O 3.39Å; K118-Y159 HydrophobicContact CD-CD1 3.58Å; K118-Y159 HydrophobicContact CD-CE1 3.83Å; K118-Y159 HydrophobicContact CD-CG 4Å; K118-D162 WeakPolarHBondContact CE-OD2 3.44Å; K118-D162 IonicContact NZ-OD2 3.38Å; K118-D162 PolarHBondContact NZ-OD2 3.33Å
119	I	98.3	Very high	96.5	Very high	56 Å²	56	52 Å²	52	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133	178.7	179.9	66.6	0	0	0	109.6	C92 V94 A113 C116 F121	C92-I119 HydrophobicContact CB-CD1 3.68Å; C92-I119 CarbonylContact O-C 3.52Å; C92-I119 WeakPolarHBondContact O-CA 3.22Å; V94-I119 HydrophobicContact CG2-CD1 3.79Å; A113-I119 HydrophobicContact CB-CD1 3.95Å; A113-I119 HydrophobicContact CB-CG1 4.03Å; C116-I119 HydrophobicContact CB-CB 4.4Å; I119-F121 HydrophobicContact CD1-CE2 4.47Å; I119-F121 HydrophobicContact CD1-CZ 4.32Å; I119-F121 HydrophobicContact CG1-CD2 4.27Å; I119-F121 HydrophobicContact CG1-CE2 3.63Å; I119-F121 HydrophobicContact CG1-CZ 3.86Å
120	L	98.7	Very high	96.4	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	172.4	-57.7	174.7	0	0	0	109.3	L91 C92 W93 V94 M122 Y154 V155 Y159	L91-L120 HydrophobicContact CD1-CD1 4.38Å; L91-L120 HydrophobicContact CD2-CD1 4.07Å; L91-L120 HydrophobicContact CD2-CG 4.47Å; C92-L120 PolarHBondContact O-N 3.24Å; W93-L120 CarbonylContact C-O 3.55Å; W93-L120 VanDerWaalsContact CA-O 3.26Å; W93-L120 WeakPolarHBondContact CA-O 3.36Å; W93-L120 HydrophobicContact CB-CB 4.16Å; V94-L120 PolarHBondContact N-O 2.94Å; L120-M122 HydrophobicContact CB-CE 3.82Å; L120-M122 HydrophobicContact CD1-CE 3.56Å; L120-M122 HydrophobicContact CG-CE 4.36Å; L120-Y154 HydrophobicContact CD1-CD1 4.5Å; L120-Y154 HydrophobicContact CD1-CE1 4.44Å; L120-V155 HydrophobicContact CD1-CG2 3.93Å; L120-Y159 HydrophobicContact CD1-CD2 3.54Å; L120-Y159 HydrophobicContact CD1-CE2 3.56Å; L120-Y159 HydrophobicContact CD2-CD2 4.38Å; L120-Y159 HydrophobicContact CD2-CE2 3.68Å; L120-Y159 HydrophobicContact CG-CE2 4.25Å
121	F	98.6	Very high	96.3	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.039	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116	171	-66.3	-87.1	0	0	0	108	V94 T96 A105 V108 K109 I119 F130 T132 V133	V94-F121 HydrophobicContact CB-CD1 3.82Å; V94-F121 HydrophobicContact CB-CE1 4.06Å; V94-F121 HydrophobicContact CG1-CD1 4.11Å; V94-F121 HydrophobicContact CG1-CE1 4.27Å; V94-F121 HydrophobicContact CG2-CD1 4.38Å; V94-F121 HydrophobicContact CG2-CE1 4.15Å; T96-F121 HydrophobicContact CG2-CB 4.46Å; A105-F121 HydrophobicContact CB-CD1 4.05Å; A105-F121 HydrophobicContact CB-CE1 4.23Å; V108-F121 HydrophobicContact CB-CE1 4.32Å; V108-F121 HydrophobicContact CG1-CE1 3.99Å; V108-F121 HydrophobicContact CG1-CZ 4.37Å; K109-F121 HydrophobicContact CB-CE2 4.18Å; K109-F121 HydrophobicContact CB-CZ 3.66Å; K109-F121 HydrophobicContact CD-CE2 4.29Å; K109-F121 HydrophobicContact CG-CE2 4.18Å; K109-F121 HydrophobicContact CG-CZ 4.14Å; I119-F121 HydrophobicContact CD1-CE2 4.47Å; I119-F121 HydrophobicContact CD1-CZ 4.32Å; I119-F121 HydrophobicContact CG1-CD2 4.27Å; I119-F121 HydrophobicContact CG1-CE2 3.63Å; I119-F121 HydrophobicContact CG1-CZ 3.86Å; F121-F130 HydrophobicContact CB-CE1 3.95Å; F121-F130 AromaticContact CD1-CE1 3.75Å; F121-F130 HydrophobicContact CD1-CE1 3.75Å; F121-F130 HydrophobicContact CD1-CZ 4.07Å; F121-F130 AromaticContact CD2-CE1 3.79Å; F121-F130 HydrophobicContact CD2-CE1 3.79Å; F121-F130 HydrophobicContact CD2-CZ 4.14Å; F121-F130 HydrophobicContact CE1-CE1 4.19Å; F121-F130 HydrophobicContact CE1-CZ 4.02Å; F121-F130 HydrophobicContact CE2-CE1 4.23Å; F121-F130 HydrophobicContact CE2-CZ 4.1Å; F121-F130 AromaticContact CG-CE1 3.54Å; F121-F130 HydrophobicContact CG-CE1 3.54Å; F121-F130 HydrophobicContact CG-CZ 4.14Å; F121-F130 HydrophobicContact CZ-CE1 4.42Å; F121-F130 HydrophobicContact CZ-CZ 4.05Å; F121-T132 HydrophobicContact CB-CG2 3.97Å; F121-T132 CarbonylContact O-C 3.58Å; F121-T132 VanDerWaalsContact O-CA 3.22Å; F121-T132 WeakPolarHBondContact O-CA 3.44Å; F121-T132 WeakPolarHBondContact O-CB 3.06Å; F121-V133 PolarHBondContact O-N 3.17Å
122	M	98.3	Very high	96.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.4	-174.8	-60.4	-65	-173.8	0	0	109.2	W93 V94 T96 L120 V133 L135 A151 Y154 V155	W93-M122 HydrophobicContact CB-CE 3.9Å; W93-M122 HydrophobicContact CB-CG 4.1Å; W93-M122 HydrophobicContact CD2-CG 4.29Å; W93-M122 HydrophobicContact CE3-CB 4.16Å; W93-M122 HydrophobicContact CE3-CG 3.66Å; W93-M122 HydrophobicContact CG-CE 4.41Å; W93-M122 HydrophobicContact CZ3-CG 4.41Å; V94-M122 PolarHBondContact O-N 3.44Å; T96-M122 PolarHBondContact N-O 2.75Å; L120-M122 HydrophobicContact CB-CE 3.82Å; L120-M122 HydrophobicContact CD1-CE 3.56Å; L120-M122 HydrophobicContact CG-CE 4.36Å; M122-V133 HydrophobicContact SD-CB 3.63Å; M122-V133 HydrophobicContact SD-CG1 3.91Å; M122-V133 HydrophobicContact SD-CG2 4.04Å; M122-L135 HydrophobicContact CB-CD1 4.07Å; M122-L135 HydrophobicContact SD-CD2 4.11Å; M122-A151 HydrophobicContact CB-CB 4.33Å; M122-A151 HydrophobicContact CE-CB 4.26Å; M122-A151 HydrophobicContact CG-CB 3.84Å; M122-A151 HydrophobicContact SD-CB 4.16Å; M122-Y154 HydrophobicContact CE-CD1 4Å; M122-V155 HydrophobicContact CE-CG2 3.56Å
123	S	97.6	Very high	96.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	165.4	-175.9	177.8	0	0	0	0	110.5	P98 E125 V133 L135	P98-S123 WeakPolarHBondContact CD-OG 3.32Å; S123-E125 VanDerWaalsContact CB-O 3.28Å; S123-E125 WeakPolarHBondContact CB-O 3.32Å; S123-E125 PolarHBondContact O-N 3.1Å; S123-E125 PolarHBondContact OG-N 2.85Å; S123-E125 PolarHBondContact OG-O 2.94Å; S123-V133 PolarHBondContact N-O 3.25Å; S123-L135 WeakPolarHBondContact O-CB 3.48Å; S123-L135 WeakPolarHBondContact O-CG 3.45Å; S123-L135 PolarHBondContact O-N 2.91Å
124	S	96.4	Very high	96.4	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.042	27%	0.27	C	S	.	.	S	Bend	trans	-59.3	-37.8	168.9	47.4	0	0	0	0	112	P98 L135 E136 T137 E139	P98-S124 VanDerWaalsContact CD-OG 3.26Å; P98-S124 WeakPolarHBondContact CD-OG 3.29Å; S124-L135 PolarHBondContact O-N 3.05Å; S124-E136 PolarHBondContact O-N 3.15Å; S124-T137 WeakPolarHBondContact CB-O 3.33Å; S124-E139 WeakPolarHBondContact CB-OE1 3.33Å; S124-E139 PolarHBondContact OG-OE1 3.47Å
125	E	96	Very high	96.5	Very high	128 Å²	128	50.1 Å²	50.1	60%	0.598	26%	0.256	S	S	*	.	S	Bend	trans	-123.3	146.9	-173.6	-65.1	172.8	-156.9	0	0	111.2	P98 S123 T132 G134	P98-E125 HydrophobicContact CG-CB 4.2Å; P98-E125 HydrophobicContact CG-CG 4.44Å; S123-E125 VanDerWaalsContact CB-O 3.28Å; S123-E125 WeakPolarHBondContact CB-O 3.32Å; S123-E125 PolarHBondContact O-N 3.1Å; S123-E125 PolarHBondContact OG-N 2.85Å; S123-E125 PolarHBondContact OG-O 2.94Å; E125-T132 PolarHBondContact O-OG1 2.78Å; E125-G134 VanDerWaalsContact C-CA 3.46Å
126	E	96.9	Very high	96.4	Very high	133 Å²	133	55.9 Å²	55.9	62%	0.621	29%	0.285	S	S	*	.			trans	-71.6	135.1	170.8	-172.4	-169.5	169.1	0	0	109.2	K128 G134	E126-K128 VanDerWaalsContact OE1-CE 3.26Å; E126-K128 WeakPolarHBondContact OE1-CE 3.49Å; E126-G134 VanDerWaalsContact N-CA 3.35Å
127	N	95.6	Very high	96.1	Very high	56 Å²	56	56.7 Å²	56.7	30%	0.299	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-130	125.5	170.4	-176.3	-49.7	0	0	0	107.6	L101 D129 F130 P131 T132	L101-N127 HydrophobicContact CD1-CB 3.95Å; N127-D129 WeakPolarHBondContact OD1-CA 3.29Å; N127-D129 WeakPolarHBondContact OD1-CB 3.34Å; N127-D129 PolarHBondContact OD1-N 3.21Å; N127-F130 CarbonylContact O-C 3.28Å; N127-F130 VanDerWaalsContact O-C 3.28Å; N127-F130 PolarHBondContact OD1-N 3.25Å; N127-P131 CarbonylContact O-C 3.49Å; N127-P131 WeakPolarHBondContact O-CA 3.4Å; N127-T132 WeakPolarHBondContact CB-OG1 2.98Å; N127-T132 PolarHBondContact N-OG1 2.86Å; N127-T132 PolarHBondContact O-N 3.42Å
128	K	92.4	Very high	95.9	Very high	169 Å²	169	62 Å²	62	74%	0.735	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.6	-177.2	-67.4	-178.1	179.8	176.9	0	113.3	E126	E126-K128 VanDerWaalsContact OE1-CE 3.26Å; E126-K128 WeakPolarHBondContact OE1-CE 3.49Å
129	D	92.6	Very high	95.6	Very high	157 Å²	157	62.2 Å²	62.2	84%	0.84	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-42.5	179.7	-59.8	-33.8	0	0	0	110.6	N127	N127-D129 WeakPolarHBondContact OD1-CA 3.29Å; N127-D129 WeakPolarHBondContact OD1-CB 3.34Å; N127-D129 PolarHBondContact OD1-N 3.21Å
130	F	92.9	Very high	95.1	Very high	17 Å²	17	61.2 Å²	61.2	8%	0.075	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	91.3	165.7	-167.8	-83.9	0	0	0	107.4	L101 A105 K106 K109 F121 N127 T132	L101-F130 HydrophobicContact CB-CD1 4.47Å; L101-F130 HydrophobicContact CB-CG 4.44Å; L101-F130 HydrophobicContact CD1-CB 4.32Å; L101-F130 HydrophobicContact CD2-CD1 3.91Å; L101-F130 HydrophobicContact CD2-CE1 4.29Å; A105-F130 HydrophobicContact CB-CE1 3.71Å; A105-F130 HydrophobicContact CB-CZ 3.66Å; K106-F130 HydrophobicContact CB-CE2 3.97Å; K109-F130 HydrophobicContact CB-CE2 4.34Å; K109-F130 HydrophobicContact CB-CZ 4.21Å; K109-F130 HydrophobicContact CD-CE2 3.74Å; K109-F130 HydrophobicContact CD-CZ 4.01Å; F121-F130 HydrophobicContact CB-CE1 3.95Å; F121-F130 AromaticContact CD1-CE1 3.75Å; F121-F130 HydrophobicContact CD1-CE1 3.75Å; F121-F130 HydrophobicContact CD1-CZ 4.07Å; F121-F130 AromaticContact CD2-CE1 3.79Å; F121-F130 HydrophobicContact CD2-CE1 3.79Å; F121-F130 HydrophobicContact CD2-CZ 4.14Å; F121-F130 HydrophobicContact CE1-CE1 4.19Å; F121-F130 HydrophobicContact CE1-CZ 4.02Å; F121-F130 HydrophobicContact CE2-CE1 4.23Å; F121-F130 HydrophobicContact CE2-CZ 4.1Å; F121-F130 AromaticContact CG-CE1 3.54Å; F121-F130 HydrophobicContact CG-CE1 3.54Å; F121-F130 HydrophobicContact CG-CZ 4.14Å; F121-F130 HydrophobicContact CZ-CE1 4.42Å; F121-F130 HydrophobicContact CZ-CZ 4.05Å; N127-F130 CarbonylContact O-C 3.28Å; N127-F130 VanDerWaalsContact O-C 3.28Å; N127-F130 PolarHBondContact OD1-N 3.25Å; F130-T132 VanDerWaalsContact C-N 3.28Å; F130-T132 HydrophobicContact CD1-CG2 3.84Å; F130-T132 HydrophobicContact CE1-CG2 4.42Å; F130-T132 WeakPolarHBondContact O-CG2 3.47Å; F130-T132 PolarHBondContact O-N 3.46Å
131	P	92.3	Very high	94.5	Very high	80 Å²	80	69.9 Å²	69.9	52%	0.519	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	81.1	-162.7	24.6	-36.1	0	0	0	113.1	N127	N127-P131 CarbonylContact O-C 3.49Å; N127-P131 WeakPolarHBondContact O-CA 3.4Å
132	T	97.1	Very high	94.1	Very high	6 Å²	6	73.6 Å²	73.6	4%	0.037	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.5	175.9	57.5	0	0	0	0	109.7	L101 F121 E125 N127 F130 G134	L101-T132 HydrophobicContact CD1-CG2 4.24Å; L101-T132 HydrophobicContact CD2-CG2 3.56Å; F121-T132 HydrophobicContact CB-CG2 3.97Å; F121-T132 CarbonylContact O-C 3.58Å; F121-T132 VanDerWaalsContact O-CA 3.22Å; F121-T132 WeakPolarHBondContact O-CA 3.44Å; F121-T132 WeakPolarHBondContact O-CB 3.06Å; E125-T132 PolarHBondContact O-OG1 2.78Å; N127-T132 WeakPolarHBondContact CB-OG1 2.98Å; N127-T132 PolarHBondContact N-OG1 2.86Å; N127-T132 PolarHBondContact O-N 3.42Å; F130-T132 VanDerWaalsContact C-N 3.28Å; F130-T132 HydrophobicContact CD1-CG2 3.84Å; F130-T132 HydrophobicContact CE1-CG2 4.42Å; F130-T132 WeakPolarHBondContact O-CG2 3.47Å; F130-T132 PolarHBondContact O-N 3.46Å; T132-G134 PolarHBondContact O-N 2.83Å
133	V	97.9	Very high	93.8	Very high	15 Å²	15	75.4 Å²	75.4	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.8	164.6	179.4	0	0	0	0	107.3	F121 M122 S123 L135 Y154	F121-V133 PolarHBondContact O-N 3.17Å; M122-V133 HydrophobicContact SD-CB 3.63Å; M122-V133 HydrophobicContact SD-CG1 3.91Å; M122-V133 HydrophobicContact SD-CG2 4.04Å; S123-V133 PolarHBondContact N-O 3.25Å; V133-L135 HydrophobicContact CG1-CD2 4.2Å; V133-Y154 HydrophobicContact CB-CE1 4.11Å; V133-Y154 HydrophobicContact CG1-CD1 3.71Å; V133-Y154 HydrophobicContact CG1-CD2 3.76Å; V133-Y154 HydrophobicContact CG1-CE1 3.52Å; V133-Y154 HydrophobicContact CG1-CE2 3.63Å; V133-Y154 HydrophobicContact CG1-CG 3.8Å; V133-Y154 HydrophobicContact CG2-CD1 4.16Å; V133-Y154 HydrophobicContact CG2-CE1 3.43Å; V133-Y154 VanDerWaalsContact CG2-CE1 3.43Å
134	G	96.8	Very high	93.6	Very high	27 Å²	27	78.2 Å²	78.2	28%	0.278	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117	173.5	0	0	0	0	0	111	E125 E126 T132	E125-G134 VanDerWaalsContact C-CA 3.46Å; E126-G134 VanDerWaalsContact N-CA 3.35Å; T132-G134 PolarHBondContact O-N 2.83Å
135	L	96.9	Very high	93.6	Very high	10 Å²	10	77.9 Å²	77.9	5%	0.052	39%	0.388	C	S	.	.			trans	-87	-4.7	-179.1	-61.2	179.8	0	0	0	113.3	M122 S123 S124 V133 T137 K147 K150 A151	M122-L135 HydrophobicContact CB-CD1 4.07Å; M122-L135 HydrophobicContact SD-CD2 4.11Å; S123-L135 WeakPolarHBondContact O-CB 3.48Å; S123-L135 WeakPolarHBondContact O-CG 3.45Å; S123-L135 PolarHBondContact O-N 2.91Å; S124-L135 PolarHBondContact O-N 3.05Å; V133-L135 HydrophobicContact CG1-CD2 4.2Å; L135-T137 HydrophobicContact CB-CG2 4.08Å; L135-T137 PolarHBondContact O-N 3.06Å; L135-K147 HydrophobicContact CD1-CB 3.9Å; L135-K147 HydrophobicContact CD1-CG 4.15Å; L135-K147 WeakPolarHBondContact CD1-O 3.43Å; L135-K150 HydrophobicContact CB-CB 4.28Å; L135-K150 HydrophobicContact CB-CD 4.34Å; L135-K150 HydrophobicContact CD1-CB 4.45Å; L135-K150 HydrophobicContact CD2-CB 4.07Å; L135-K150 WeakPolarHBondContact O-CD 3.27Å; L135-K150 WeakPolarHBondContact O-CE 3.47Å; L135-K150 PolarHBondContact O-NZ 2.89Å; L135-A151 HydrophobicContact CD1-CB 4.16Å; L135-A151 HydrophobicContact CD2-CB 4.46Å
136	E	94.4	Very high	93.5	Very high	170 Å²	170	77.3 Å²	77.3	79%	0.794	38%	0.381	S	S	*	.			trans	54.9	51.4	-176.3	-54.4	176.9	-179.5	0	0	111.3	S124 K150	S124-E136 PolarHBondContact O-N 3.15Å; E136-K150 PolarHBondContact O-NZ 3.5Å
137	T	92.4	Very high	93.5	Very high	24 Å²	24	71.1 Å²	71.1	15%	0.147	35%	0.352	C	S	.	.			trans	-125.7	170.5	177.2	64.4	0	0	0	0	110.2	S124 L135 K147 K150	S124-T137 WeakPolarHBondContact CB-O 3.33Å; L135-T137 HydrophobicContact CB-CG2 4.08Å; L135-T137 PolarHBondContact O-N 3.06Å; T137-K147 HydrophobicContact CG2-CG 4.19Å; T137-K147 WeakPolarHBondContact OG1-CE 3.36Å; T137-K147 WeakPolarHBondContact OG1-CG 3.41Å; T137-K150 HydrophobicContact CG2-CD 3.66Å
138	K	92.6	Very high	93.6	Very high	156 Å²	156	68.5 Å²	68.5	68%	0.678	34%	0.338	S	S	*	.			trans	-82.9	165.7	169.1	-67.2	178.5	-178.2	-179.5	0	111.1	Q143 K147	K138-Q143 HydrophobicContact CB-CG 3.83Å; K138-Q143 WeakPolarHBondContact O-CB 3.26Å; K138-K147 WeakPolarHBondContact O-CE 3.37Å
139	E	92.4	Very high	93.9	Very high	70 Å²	70	60.5 Å²	60.5	33%	0.327	30%	0.303	S	S	.	.			trans	-84	157.6	164.8	-68.1	-55.6	140.4	0	0	111	P98 S124 K147	P98-E139 VanDerWaalsContact CD-OE1 3.31Å; P98-E139 WeakPolarHBondContact CD-OE1 2.83Å; S124-E139 WeakPolarHBondContact CB-OE1 3.33Å; S124-E139 PolarHBondContact OG-OE1 3.47Å; E139-K147 IonicContact OE1-NZ 3.96Å; E139-K147 PolarHBondContact OE1-NZ 3.28Å; E139-K147 IonicContact OE2-NZ 2.69Å; E139-K147 PolarHBondContact OE2-NZ 2.99Å
140	G	88.4	Confident	94.2	Very high	35 Å²	35	55.9 Å²	55.9	36%	0.361	28%	0.275	S	S	.	.	S	Bend	trans	127.2	155.6	177.6	0	0	0	0	0	112.9	D142 Q143	G140-D142 PolarHBondContact O-N 3.07Å; G140-Q143 WeakPolarHBondContact O-CB 3.28Å; G140-Q143 PolarHBondContact O-N 3.14Å
141	R	85.6	Confident	94.4	Very high	199 Å²	199	55 Å²	55	75%	0.751	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-61.7	-34.7	-178.5	-170.6	174.9	-176.5	157.1	2.5	112	Q143 L144	R141-Q143 PolarHBondContact O-N 2.61Å; R141-L144 HydrophobicContact CG-CD1 4Å; R141-L144 WeakPolarHBondContact O-CG 3.21Å; R141-L144 PolarHBondContact O-N 2.86Å
142	D	90	Very high	94.7	Very high	87 Å²	87	51.2 Å²	51.2	47%	0.465	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-69	-15.8	176.8	64.3	-54.7	0	0	0	113.9	G140	G140-D142 PolarHBondContact O-N 3.07Å
143	Q	92.7	Very high	94.8	Very high	38 Å²	38	53.7 Å²	53.7	18%	0.178	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-97.5	-7.6	179.7	-57	-62.4	-49.1	0	0	113.1	K138 G140 R141 Y145 W146 K147	K138-Q143 HydrophobicContact CB-CG 3.83Å; K138-Q143 WeakPolarHBondContact O-CB 3.26Å; G140-Q143 WeakPolarHBondContact O-CB 3.28Å; G140-Q143 PolarHBondContact O-N 3.14Å; R141-Q143 PolarHBondContact O-N 2.61Å; Q143-Y145 VanDerWaalsContact C-N 3.32Å; Q143-Y145 PolarHBondContact O-N 3.35Å; Q143-W146 WeakPolarHBondContact O-CB 3.43Å; Q143-W146 PolarHBondContact O-N 3Å; Q143-K147 PolarHBondContact O-N 3.03Å
144	L	93.2	Very high	94.8	Very high	59 Å²	59	56.3 Å²	56.3	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-42.9	-175.1	-70	175.4	0	0	0	112.2	M95 R141 K147 T148 E240	M95-L144 HydrophobicContact CG-CD2 4.42Å; R141-L144 HydrophobicContact CG-CD1 4Å; R141-L144 WeakPolarHBondContact O-CG 3.21Å; R141-L144 PolarHBondContact O-N 2.86Å; L144-K147 WeakPolarHBondContact O-CB 3.49Å; L144-K147 PolarHBondContact O-N 3.35Å; L144-T148 PolarHBondContact O-N 3.32Å; L144-T148 PolarHBondContact O-OG1 2.64Å; L144-E240 HydrophobicContact CB-CB 3.9Å; L144-E240 HydrophobicContact CB-CG 4.31Å
145	Y	95.8	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-38.2	-179.7	-168.5	-141.4	0	0	0	112.4	Q143 K147 T148 I149 F228 H235 E240 A243 L244	Q143-Y145 VanDerWaalsContact C-N 3.32Å; Q143-Y145 PolarHBondContact O-N 3.35Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 3.41Å; Y145-T148 PolarHBondContact O-N 2.84Å; Y145-I149 HydrophobicContact CD1-CD1 3.87Å; Y145-I149 HydrophobicContact CD2-CD1 4.26Å; Y145-I149 HydrophobicContact CD2-CG1 4.17Å; Y145-I149 HydrophobicContact CE1-CD1 3.82Å; Y145-I149 HydrophobicContact CE1-CG1 4.44Å; Y145-I149 HydrophobicContact CE2-CD1 4.21Å; Y145-I149 HydrophobicContact CE2-CG1 3.97Å; Y145-I149 HydrophobicContact CG-CD1 4.1Å; Y145-I149 HydrophobicContact CG-CG1 4.5Å; Y145-I149 WeakPolarHBondContact O-CD1 3.5Å; Y145-I149 VanDerWaalsContact O-CG1 3.23Å; Y145-I149 WeakPolarHBondContact O-CG1 3.44Å; Y145-I149 PolarHBondContact O-N 3.27Å; Y145-F228 HydrophobicContact CE1-CZ 4.43Å; Y145-F228 WeakPolarHBondContact OH-CZ 3.42Å; Y145-H235 HydrophobicContact CD1-CB 4.44Å; Y145-H235 AromaticContact CD1-CD2 3.72Å; Y145-H235 AromaticContact CD1-CG 3.93Å; Y145-H235 AromaticContact CD1-NE2 3.98Å; Y145-E240 HydrophobicContact CD2-CG 4.19Å; Y145-A243 HydrophobicContact CD1-CB 3.4Å; Y145-A243 VanDerWaalsContact CD1-CB 3.4Å; Y145-A243 HydrophobicContact CD2-CB 4Å; Y145-A243 HydrophobicContact CE1-CB 3.26Å; Y145-A243 HydrophobicContact CE2-CB 3.88Å; Y145-A243 HydrophobicContact CG-CB 3.78Å; Y145-A243 PolarHBondContact OH-O 3.14Å; Y145-L244 HydrophobicContact CE2-CB 4.2Å
146	W	95.3	Very high	95	Very high	116 Å²	116	57.1 Å²	57.1	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-57.8	-45.1	170.8	-88.4	118.4	0	0	0	112.2	Q143 I149 K150 H235	Q143-W146 WeakPolarHBondContact O-CB 3.43Å; Q143-W146 PolarHBondContact O-N 3Å; W146-I149 HydrophobicContact CE3-CD1 4.43Å; W146-I149 PolarHBondContact O-N 3.06Å; W146-K150 PolarHBondContact O-N 3.45Å; W146-H235 AromaticContact CD1-CD2 3.18Å; W146-H235 AromaticContact CD1-NE2 3.27Å; W146-H235 VanDerWaalsContact CD1-NE2 3.27Å; W146-H235 AromaticContact CD2-CD2 3.62Å; W146-H235 AromaticContact CE2-CD2 3.49Å; W146-H235 VanDerWaalsContact CE2-CD2 3.49Å; W146-H235 AromaticContact CE2-CG 3.85Å; W146-H235 AromaticContact CG-CD2 3.43Å; W146-H235 VanDerWaalsContact CG-CD2 3.43Å; W146-H235 AromaticContact CG-NE2 3.82Å; W146-H235 HydrophobicContact CH2-CB 4.45Å; W146-H235 HydrophobicContact CZ2-CB 3.9Å; W146-H235 AromaticContact NE1-CD2 3.2Å; W146-H235 PolarHBondContact NE1-CD2 3.34Å; W146-H235 AromaticContact NE1-CG 3.65Å; W146-H235 AromaticContact NE1-NE2 3.6Å
147	K	96.7	Very high	95.2	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-46.5	174.4	-75.2	-177.1	166.8	-167.4	0	111.3	M95 T96 L135 T137 K138 E139 Q143 L144 Y145 I149 K150 A151	M95-K147 HydrophobicContact CE-CB 3.53Å; M95-K147 HydrophobicContact SD-CB 3.58Å; M95-K147 VanDerWaalsContact SD-CB 3.58Å; M95-K147 HydrophobicContact SD-CD 3.71Å; M95-K147 HydrophobicContact SD-CG 4.27Å; T96-K147 PolarHBondContact O-NZ 3.1Å; T96-K147 VanDerWaalsContact O-NZ 3.14Å; L135-K147 HydrophobicContact CD1-CB 3.9Å; L135-K147 HydrophobicContact CD1-CG 4.15Å; L135-K147 WeakPolarHBondContact CD1-O 3.43Å; T137-K147 HydrophobicContact CG2-CG 4.19Å; T137-K147 WeakPolarHBondContact OG1-CE 3.36Å; T137-K147 WeakPolarHBondContact OG1-CG 3.41Å; K138-K147 WeakPolarHBondContact O-CE 3.37Å; E139-K147 IonicContact OE1-NZ 3.96Å; E139-K147 PolarHBondContact OE1-NZ 3.28Å; E139-K147 IonicContact OE2-NZ 2.69Å; E139-K147 PolarHBondContact OE2-NZ 2.99Å; Q143-K147 PolarHBondContact O-N 3.03Å; L144-K147 WeakPolarHBondContact O-CB 3.49Å; L144-K147 PolarHBondContact O-N 3.35Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 3.41Å; K147-I149 PolarHBondContact O-N 3.31Å; K147-K150 PolarHBondContact O-N 2.99Å; K147-A151 VanDerWaalsContact O-CB 3.23Å; K147-A151 WeakPolarHBondContact O-CB 3.43Å; K147-A151 PolarHBondContact O-N 2.97Å
148	T	97.8	Very high	95.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-43.9	178.6	-67.7	0	0	0	0	112.4	W93 M95 L144 Y145 A151 F152 Y214 E240 L244	W93-T148 HydrophobicContact CH2-CG2 4.19Å; W93-T148 HydrophobicContact CZ2-CG2 4.32Å; M95-T148 WeakPolarHBondContact CE-OG1 3.39Å; L144-T148 PolarHBondContact O-N 3.32Å; L144-T148 PolarHBondContact O-OG1 2.64Å; Y145-T148 PolarHBondContact O-N 2.84Å; T148-A151 PolarHBondContact O-N 3.42Å; T148-F152 HydrophobicContact CG2-CD2 3.71Å; T148-F152 HydrophobicContact CG2-CE2 3.69Å; T148-F152 WeakPolarHBondContact O-CD2 3.13Å; T148-F152 PolarHBondContact O-N 3.09Å; T148-Y214 VanDerWaalsContact CG2-OH 3.3Å; T148-Y214 WeakPolarHBondContact CG2-OH 3.25Å; T148-E240 WeakPolarHBondContact CB-OE1 3.4Å; T148-E240 HydrophobicContact CG2-CG 4.33Å; T148-E240 VanDerWaalsContact CG2-OE1 3.3Å; T148-E240 WeakPolarHBondContact CG2-OE1 3.13Å; T148-E240 VanDerWaalsContact OG1-CG 3.25Å; T148-E240 WeakPolarHBondContact OG1-CG 3.39Å; T148-E240 PolarHBondContact OG1-OE1 2.82Å; T148-L244 HydrophobicContact CG2-CD1 4.08Å
149	I	97.8	Very high	95.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-51.2	176.6	-66.2	158.8	0	0	0	110.1	Y145 W146 K147 F152 Q153 F224 F228 H235	Y145-I149 HydrophobicContact CD1-CD1 3.87Å; Y145-I149 HydrophobicContact CD2-CD1 4.26Å; Y145-I149 HydrophobicContact CD2-CG1 4.17Å; Y145-I149 HydrophobicContact CE1-CD1 3.82Å; Y145-I149 HydrophobicContact CE1-CG1 4.44Å; Y145-I149 HydrophobicContact CE2-CD1 4.21Å; Y145-I149 HydrophobicContact CE2-CG1 3.97Å; Y145-I149 HydrophobicContact CG-CD1 4.1Å; Y145-I149 HydrophobicContact CG-CG1 4.5Å; Y145-I149 WeakPolarHBondContact O-CD1 3.5Å; Y145-I149 VanDerWaalsContact O-CG1 3.23Å; Y145-I149 WeakPolarHBondContact O-CG1 3.44Å; Y145-I149 PolarHBondContact O-N 3.27Å; W146-I149 HydrophobicContact CE3-CD1 4.43Å; W146-I149 PolarHBondContact O-N 3.06Å; K147-I149 PolarHBondContact O-N 3.31Å; I149-F152 PolarHBondContact O-N 2.72Å; I149-Q153 VanDerWaalsContact O-CG 3.29Å; I149-Q153 WeakPolarHBondContact O-CG 3.49Å; I149-Q153 PolarHBondContact O-N 3.33Å; I149-F224 HydrophobicContact CG1-CZ 4.18Å; I149-F228 HydrophobicContact CB-CE1 4.5Å; I149-F228 HydrophobicContact CD1-CD1 4.36Å; I149-F228 HydrophobicContact CD1-CE1 3.4Å; I149-F228 HydrophobicContact CD1-CZ 3.6Å; I149-F228 HydrophobicContact CG1-CD1 4.47Å; I149-F228 HydrophobicContact CG1-CE1 3.7Å; I149-F228 HydrophobicContact CG1-CE2 4.22Å; I149-F228 HydrophobicContact CG1-CZ 3.56Å; I149-F228 HydrophobicContact CG2-CD1 3.85Å; I149-F228 HydrophobicContact CG2-CE1 3.93Å; I149-F228 HydrophobicContact CG2-CG 4.18Å; I149-F228 HydrophobicContact CG2-CZ 4.34Å; I149-H235 HydrophobicContact CD1-CB 4.38Å
150	K	98.1	Very high	96.1	Very high	60 Å²	60	51 Å²	51	26%	0.261	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-38.2	-179.3	-72.6	-166	175.8	-172.4	0	112.6	L135 E136 T137 W146 K147 Q153 Y154	L135-K150 HydrophobicContact CB-CB 4.28Å; L135-K150 HydrophobicContact CB-CD 4.34Å; L135-K150 HydrophobicContact CD1-CB 4.45Å; L135-K150 HydrophobicContact CD2-CB 4.07Å; L135-K150 WeakPolarHBondContact O-CD 3.27Å; L135-K150 WeakPolarHBondContact O-CE 3.47Å; L135-K150 PolarHBondContact O-NZ 2.89Å; E136-K150 PolarHBondContact O-NZ 3.5Å; T137-K150 HydrophobicContact CG2-CD 3.66Å; W146-K150 PolarHBondContact O-N 3.45Å; K147-K150 PolarHBondContact O-N 2.99Å; K150-Q153 PolarHBondContact O-N 3.26Å; K150-Y154 WeakPolarHBondContact O-CB 3.41Å; K150-Y154 PolarHBondContact O-N 2.97Å
151	A	98.6	Very high	96.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.6	0	0	0	0	0	111.2	W93 M122 L135 K147 T148 Y154 V155	W93-A151 HydrophobicContact CD2-CB 4.21Å; W93-A151 HydrophobicContact CE3-CB 3.94Å; W93-A151 HydrophobicContact CH2-CB 3.92Å; W93-A151 HydrophobicContact CZ2-CB 4.2Å; W93-A151 HydrophobicContact CZ3-CB 3.79Å; M122-A151 HydrophobicContact CB-CB 4.33Å; M122-A151 HydrophobicContact CE-CB 4.26Å; M122-A151 HydrophobicContact CG-CB 3.84Å; M122-A151 HydrophobicContact SD-CB 4.16Å; L135-A151 HydrophobicContact CD1-CB 4.16Å; L135-A151 HydrophobicContact CD2-CB 4.46Å; K147-A151 VanDerWaalsContact O-CB 3.23Å; K147-A151 WeakPolarHBondContact O-CB 3.43Å; K147-A151 PolarHBondContact O-N 2.97Å; T148-A151 PolarHBondContact O-N 3.42Å; A151-Y154 PolarHBondContact O-N 2.86Å; A151-V155 WeakPolarHBondContact O-CB 3.39Å; A151-V155 VanDerWaalsContact O-CG2 3.25Å; A151-V155 WeakPolarHBondContact O-CG2 3.49Å; A151-V155 PolarHBondContact O-N 3.05Å
152	F	98.7	Very high	97.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-35.6	177.2	-81	-52.4	0	0	0	113.2	W93 T148 I149 V155 Y156 F166 K168 Y214 L216 L221 F224 L244	W93-F152 AromaticContact CE2-CE1 3.87Å; W93-F152 AromaticContact CE2-CZ 3.87Å; W93-F152 HydrophobicContact CZ2-CD1 4.4Å; W93-F152 HydrophobicContact CZ2-CD2 4.08Å; W93-F152 HydrophobicContact CZ2-CE1 4.03Å; W93-F152 AromaticContact CZ2-CE2 3.64Å; W93-F152 HydrophobicContact CZ2-CE2 3.64Å; W93-F152 HydrophobicContact CZ2-CG 4.44Å; W93-F152 AromaticContact CZ2-CZ 3.61Å; W93-F152 HydrophobicContact CZ2-CZ 3.61Å; W93-F152 AromaticContact NE1-CD1 3.7Å; W93-F152 AromaticContact NE1-CE1 3.14Å; W93-F152 AromaticContact NE1-CZ 3.52Å; T148-F152 HydrophobicContact CG2-CD2 3.71Å; T148-F152 HydrophobicContact CG2-CE2 3.69Å; T148-F152 WeakPolarHBondContact O-CD2 3.13Å; T148-F152 PolarHBondContact O-N 3.09Å; I149-F152 PolarHBondContact O-N 2.72Å; F152-V155 PolarHBondContact O-N 3.35Å; F152-Y156 VanDerWaalsContact O-CB 3.27Å; F152-Y156 WeakPolarHBondContact O-CB 3.31Å; F152-Y156 PolarHBondContact O-N 3.12Å; F152-F166 HydrophobicContact CE1-CB 4.39Å; F152-K168 HydrophobicContact CZ-CB 4.37Å; F152-Y214 AromaticContact CE2-CE2 3.86Å; F152-Y214 HydrophobicContact CE2-CE2 3.86Å; F152-Y214 AromaticContact CZ-CE2 3.74Å; F152-Y214 HydrophobicContact CZ-CE2 3.74Å; F152-L216 HydrophobicContact CE1-CD2 3.99Å; F152-L216 HydrophobicContact CE2-CD2 4.25Å; F152-L216 HydrophobicContact CZ-CD1 3.98Å; F152-L216 HydrophobicContact CZ-CD2 3.86Å; F152-L221 HydrophobicContact CB-CD1 3.77Å; F152-L221 HydrophobicContact CD1-CD1 3.44Å; F152-L221 VanDerWaalsContact CD1-CD1 3.44Å; F152-L221 HydrophobicContact CE1-CD1 4.28Å; F152-L221 HydrophobicContact CG-CD1 3.88Å; F152-F224 HydrophobicContact CB-CD1 3.99Å; F152-F224 HydrophobicContact CB-CE1 3.87Å; F152-F224 HydrophobicContact CD2-CD1 4.29Å; F152-F224 AromaticContact CD2-CE1 3.92Å; F152-F224 HydrophobicContact CD2-CE1 3.92Å; F152-F224 HydrophobicContact CD2-CZ 4.43Å; F152-F224 HydrophobicContact CG-CD1 4.38Å; F152-F224 HydrophobicContact CG-CE1 4.28Å; F152-L244 HydrophobicContact CD2-CD1 4.42Å; F152-L244 HydrophobicContact CE2-CD1 4Å
153	Q	98.6	Very high	97.5	Very high	58 Å²	58	45.6 Å²	45.6	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-47.7	171.6	-74.4	170.9	-16.5	0	0	111.2	I149 K150 Y156 D157 V225	I149-Q153 VanDerWaalsContact O-CG 3.29Å; I149-Q153 WeakPolarHBondContact O-CG 3.49Å; I149-Q153 PolarHBondContact O-N 3.33Å; K150-Q153 PolarHBondContact O-N 3.26Å; Q153-Y156 PolarHBondContact O-N 3.47Å; Q153-D157 WeakPolarHBondContact O-CB 3.3Å; Q153-D157 PolarHBondContact O-N 3.4Å; Q153-V225 HydrophobicContact CG-CG1 4.4Å; Q153-V225 HydrophobicContact CG-CG2 4.41Å
154	Y	98.8	Very high	97.8	Very high	69 Å²	69	45.9 Å²	45.9	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-61.4	-46.4	177	-175.5	-90.5	0	0	0	112	L120 M122 V133 K150 A151 Y156 D157 H158 Y159	L120-Y154 HydrophobicContact CD1-CD1 4.5Å; L120-Y154 HydrophobicContact CD1-CE1 4.44Å; M122-Y154 HydrophobicContact CE-CD1 4Å; V133-Y154 HydrophobicContact CB-CE1 4.11Å; V133-Y154 HydrophobicContact CG1-CD1 3.71Å; V133-Y154 HydrophobicContact CG1-CD2 3.76Å; V133-Y154 HydrophobicContact CG1-CE1 3.52Å; V133-Y154 HydrophobicContact CG1-CE2 3.63Å; V133-Y154 HydrophobicContact CG1-CG 3.8Å; V133-Y154 HydrophobicContact CG2-CD1 4.16Å; V133-Y154 HydrophobicContact CG2-CE1 3.43Å; V133-Y154 VanDerWaalsContact CG2-CE1 3.43Å; K150-Y154 WeakPolarHBondContact O-CB 3.41Å; K150-Y154 PolarHBondContact O-N 2.97Å; A151-Y154 PolarHBondContact O-N 2.86Å; Y154-Y156 VanDerWaalsContact C-N 3.29Å; Y154-Y156 PolarHBondContact O-N 3.14Å; Y154-D157 PolarHBondContact O-N 3.49Å; Y154-H158 AromaticContact CD2-CD2 3.36Å; Y154-H158 WeakPolarHBondContact CD2-CD2 3.45Å; Y154-H158 AromaticContact CD2-NE2 3.61Å; Y154-H158 AromaticContact CE2-CD2 3.36Å; Y154-H158 WeakPolarHBondContact CE2-CD2 3.32Å; Y154-H158 AromaticContact CE2-NE2 3.47Å; Y154-H158 WeakPolarHBondContact CE2-NE2 3.4Å; Y154-H158 AromaticContact CG-CD2 3.75Å; Y154-H158 AromaticContact CZ-CD2 3.79Å; Y154-H158 WeakPolarHBondContact O-CB 3.43Å; Y154-H158 PolarHBondContact O-CD2 3.29Å; Y154-H158 PolarHBondContact O-N 2.96Å; Y154-Y159 HydrophobicContact CD1-CE2 4.39Å; Y154-Y159 HydrophobicContact CE1-CD2 4.38Å; Y154-Y159 AromaticContact CE1-CE2 3.73Å; Y154-Y159 HydrophobicContact CE1-CE2 3.73Å
155	V	98.8	Very high	98	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-43.3	175.4	169.3	0	0	0	0	111.1	L91 W93 L120 M122 A151 F152 Y159 F160 F166 L221	L91-V155 HydrophobicContact CD1-CG1 4.28Å; L91-V155 HydrophobicContact CD2-CG1 4.03Å; L91-V155 HydrophobicContact CD2-CG2 4.02Å; W93-V155 HydrophobicContact CB-CG2 4.5Å; W93-V155 HydrophobicContact CG-CG2 4.41Å; L120-V155 HydrophobicContact CD1-CG2 3.93Å; M122-V155 HydrophobicContact CE-CG2 3.56Å; A151-V155 WeakPolarHBondContact O-CB 3.39Å; A151-V155 VanDerWaalsContact O-CG2 3.25Å; A151-V155 WeakPolarHBondContact O-CG2 3.49Å; A151-V155 PolarHBondContact O-N 3.05Å; F152-V155 PolarHBondContact O-N 3.35Å; V155-Y159 CarbonylContact O-C 3.56Å; V155-Y159 VanDerWaalsContact O-C 3.31Å; V155-Y159 VanDerWaalsContact O-CA 3.32Å; V155-Y159 WeakPolarHBondContact O-CA 3.28Å; V155-Y159 WeakPolarHBondContact O-CB 3.23Å; V155-Y159 PolarHBondContact O-N 2.79Å; V155-F160 PolarHBondContact O-N 2.9Å; V155-F160 VanDerWaalsContact O-N 3.14Å; V155-F166 HydrophobicContact CG1-CD1 3.29Å; V155-F166 HydrophobicContact CG1-CE1 3.56Å; V155-F166 HydrophobicContact CG1-CG 4.28Å; V155-L221 HydrophobicContact CG1-CD2 3.88Å
156	Y	98.8	Very high	98.2	Very high	54 Å²	54	43.3 Å²	43.3	21%	0.212	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-46.6	178.4	-178.8	-86.7	0	0	0	112.3	F152 Q153 Y154 H158 F160 L221 K222 V225	F152-Y156 VanDerWaalsContact O-CB 3.27Å; F152-Y156 WeakPolarHBondContact O-CB 3.31Å; F152-Y156 PolarHBondContact O-N 3.12Å; Q153-Y156 PolarHBondContact O-N 3.47Å; Y154-Y156 VanDerWaalsContact C-N 3.29Å; Y154-Y156 PolarHBondContact O-N 3.14Å; Y156-H158 VanDerWaalsContact C-N 3.32Å; Y156-H158 PolarHBondContact O-N 3.18Å; Y156-F160 HydrophobicContact CD2-CB 4.36Å; Y156-F160 AromaticContact CD2-CD2 3.39Å; Y156-F160 HydrophobicContact CD2-CD2 3.39Å; Y156-F160 AromaticContact CD2-CE2 3.76Å; Y156-F160 HydrophobicContact CD2-CE2 3.76Å; Y156-F160 AromaticContact CD2-CG 3.93Å; Y156-F160 HydrophobicContact CD2-CG 3.93Å; Y156-F160 HydrophobicContact CE2-CD1 4.35Å; Y156-F160 AromaticContact CE2-CD2 3.65Å; Y156-F160 HydrophobicContact CE2-CD2 3.65Å; Y156-F160 HydrophobicContact CE2-CE1 4.36Å; Y156-F160 AromaticContact CE2-CE2 3.67Å; Y156-F160 HydrophobicContact CE2-CE2 3.67Å; Y156-F160 AromaticContact CE2-CG 4Å; Y156-F160 HydrophobicContact CE2-CG 4Å; Y156-F160 HydrophobicContact CE2-CZ 4.05Å; Y156-F160 HydrophobicContact CG-CD2 4.34Å; Y156-F160 WeakPolarHBondContact O-CB 3.39Å; Y156-L221 HydrophobicContact CD2-CG 4.21Å; Y156-K222 HydrophobicContact CE2-CB 3.91Å; Y156-K222 HydrophobicContact CE2-CG 4Å; Y156-V225 HydrophobicContact CD1-CB 4.39Å; Y156-V225 HydrophobicContact CD1-CG1 3.84Å; Y156-V225 HydrophobicContact CD2-CB 4.28Å; Y156-V225 HydrophobicContact CD2-CG2 4.29Å; Y156-V225 HydrophobicContact CE1-CG1 4.31Å; Y156-V225 HydrophobicContact CG-CB 4.08Å; Y156-V225 HydrophobicContact CG-CG1 4Å; Y156-V225 HydrophobicContact CG-CG2 3.97Å
157	D	98.4	Very high	98.4	Very high	96 Å²	96	37.8 Å²	37.8	51%	0.513	18%	0.18	S	C	.	.	H	α-helix	trans	-73.2	-25	-174.5	-66.6	-30.3	0	0	0	112.2	Q153 Y154 K229	Q153-D157 WeakPolarHBondContact O-CB 3.3Å; Q153-D157 PolarHBondContact O-N 3.4Å; Y154-D157 PolarHBondContact O-N 3.49Å; D157-K229 IonicContact OD1-NZ 3.83Å; D157-K229 PolarHBondContact OD1-NZ 3.01Å
158	H	98.6	Very high	98.5	Very high	112 Å²	112	37.9 Å²	37.9	52%	0.519	18%	0.18	S	C	.	.	H	α-helix	trans	-112.2	-26	-175.3	-64.6	-76.6	0	0	0	115.8	Y154 Y156	Y154-H158 AromaticContact CD2-CD2 3.36Å; Y154-H158 WeakPolarHBondContact CD2-CD2 3.45Å; Y154-H158 AromaticContact CD2-NE2 3.61Å; Y154-H158 AromaticContact CE2-CD2 3.36Å; Y154-H158 WeakPolarHBondContact CE2-CD2 3.32Å; Y154-H158 AromaticContact CE2-NE2 3.47Å; Y154-H158 WeakPolarHBondContact CE2-NE2 3.4Å; Y154-H158 AromaticContact CG-CD2 3.75Å; Y154-H158 AromaticContact CZ-CD2 3.79Å; Y154-H158 WeakPolarHBondContact O-CB 3.43Å; Y154-H158 PolarHBondContact O-CD2 3.29Å; Y154-H158 PolarHBondContact O-N 2.96Å; Y156-H158 VanDerWaalsContact C-N 3.32Å; Y156-H158 PolarHBondContact O-N 3.18Å
159	Y	98.4	Very high	98.5	Very high	53 Å²	53	37.9 Å²	37.9	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-139.4	12.8	-167	-57.5	-63.7	0	0	0	114.5	L91 K118 L120 Y154 V155 D161 D162	L91-Y159 VanDerWaalsContact CD1-CB 3.4Å; L91-Y159 HydrophobicContact CD1-CD2 4.35Å; L91-Y159 HydrophobicContact CD1-CG 3.98Å; K118-Y159 HydrophobicContact CD-CD1 3.58Å; K118-Y159 HydrophobicContact CD-CE1 3.83Å; K118-Y159 HydrophobicContact CD-CG 4Å; L120-Y159 HydrophobicContact CD1-CD2 3.54Å; L120-Y159 HydrophobicContact CD1-CE2 3.56Å; L120-Y159 HydrophobicContact CD2-CD2 4.38Å; L120-Y159 HydrophobicContact CD2-CE2 3.68Å; L120-Y159 HydrophobicContact CG-CE2 4.25Å; Y154-Y159 HydrophobicContact CD1-CE2 4.39Å; Y154-Y159 HydrophobicContact CE1-CD2 4.38Å; Y154-Y159 AromaticContact CE1-CE2 3.73Å; Y154-Y159 HydrophobicContact CE1-CE2 3.73Å; V155-Y159 CarbonylContact O-C 3.56Å; V155-Y159 VanDerWaalsContact O-C 3.31Å; V155-Y159 VanDerWaalsContact O-CA 3.32Å; V155-Y159 WeakPolarHBondContact O-CA 3.28Å; V155-Y159 WeakPolarHBondContact O-CB 3.23Å; V155-Y159 PolarHBondContact O-N 2.79Å; Y159-D161 PolarHBondContact O-N 3.3Å; Y159-D162 VanDerWaalsContact CD1-OD2 3.3Å; Y159-D162 WeakPolarHBondContact CD1-OD2 3.32Å; Y159-D162 PolarHBondContact O-N 2.81Å; Y159-D162 VanDerWaalsContact O-N 3.09Å
160	F	98.4	Very high	98.5	Very high	32 Å²	32	39.3 Å²	39.3	14%	0.14	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.1	-177.5	-176.6	-108.3	0	0	0	113.9	V155 Y156 F166 K218 L221 K222	V155-F160 PolarHBondContact O-N 2.9Å; V155-F160 VanDerWaalsContact O-N 3.14Å; Y156-F160 HydrophobicContact CD2-CB 4.36Å; Y156-F160 AromaticContact CD2-CD2 3.39Å; Y156-F160 HydrophobicContact CD2-CD2 3.39Å; Y156-F160 AromaticContact CD2-CE2 3.76Å; Y156-F160 HydrophobicContact CD2-CE2 3.76Å; Y156-F160 AromaticContact CD2-CG 3.93Å; Y156-F160 HydrophobicContact CD2-CG 3.93Å; Y156-F160 HydrophobicContact CE2-CD1 4.35Å; Y156-F160 AromaticContact CE2-CD2 3.65Å; Y156-F160 HydrophobicContact CE2-CD2 3.65Å; Y156-F160 HydrophobicContact CE2-CE1 4.36Å; Y156-F160 AromaticContact CE2-CE2 3.67Å; Y156-F160 HydrophobicContact CE2-CE2 3.67Å; Y156-F160 AromaticContact CE2-CG 4Å; Y156-F160 HydrophobicContact CE2-CG 4Å; Y156-F160 HydrophobicContact CE2-CZ 4.05Å; Y156-F160 HydrophobicContact CG-CD2 4.34Å; Y156-F160 WeakPolarHBondContact O-CB 3.39Å; F160-F166 HydrophobicContact CD2-CZ 4.22Å; F160-K218 HydrophobicContact CD2-CG 4.41Å; F160-K218 HydrophobicContact CE1-CD 4.39Å; F160-K218 HydrophobicContact CE1-CG 4.15Å; F160-K218 HydrophobicContact CE2-CG 3.62Å; F160-K218 WeakPolarHBondContact CE2-O 3.46Å; F160-K218 HydrophobicContact CZ-CD 4.18Å; F160-K218 HydrophobicContact CZ-CG 3.46Å; F160-K218 VanDerWaalsContact CZ-CG 3.46Å; F160-K218 VanDerWaalsContact O-CE 3.28Å; F160-K218 WeakPolarHBondContact O-CE 3.48Å; F160-K218 PolarHBondContact O-NZ 2.93Å; F160-L221 HydrophobicContact CD2-CD2 4.04Å; F160-L221 HydrophobicContact CD2-CG 4.49Å; F160-K222 HydrophobicContact CE2-CB 3.92Å; F160-K222 HydrophobicContact CZ-CB 3.84Å; F160-K222 HydrophobicContact CZ-CD 4.22Å; F160-K222 HydrophobicContact CZ-CG 4.38Å
161	D	98.1	Very high	98.5	Very high	129 Å²	129	36.9 Å²	36.9	69%	0.69	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.6	-179.6	-68	-42.1	0	0	0	114.5	Y159 K218	Y159-D161 PolarHBondContact O-N 3.3Å; D161-K218 IonicContact OD1-NZ 2.67Å; D161-K218 PolarHBondContact OD1-NZ 3.37Å
162	D	97.7	Very high	98.5	Very high	76 Å²	76	37.9 Å²	37.9	41%	0.406	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.9	-179.9	-72.2	-1	0	0	0	113.2	K118 Y159	K118-D162 WeakPolarHBondContact CE-OD2 3.44Å; K118-D162 IonicContact NZ-OD2 3.38Å; K118-D162 PolarHBondContact NZ-OD2 3.33Å; Y159-D162 VanDerWaalsContact CD1-OD2 3.3Å; Y159-D162 WeakPolarHBondContact CD1-OD2 3.32Å; Y159-D162 PolarHBondContact O-N 2.81Å; Y159-D162 VanDerWaalsContact O-N 3.09Å
163	A	98.4	Very high	98.5	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	18%	0.183	C	C	.	.			trans	-146.8	161.4	-176.4	0	0	0	0	0	113.1	K89 L91 F166	K89-A163 HydrophobicContact CB-CB 4.48Å; L91-A163 HydrophobicContact CB-CB 3.62Å; A163-F166 HydrophobicContact CB-CE1 4.17Å; A163-F166 HydrophobicContact CB-CZ 4.34Å
164	D	98.5	Very high	98.5	Very high	44 Å²	44	35.1 Å²	35.1	24%	0.235	17%	0.171	C	C	.	.	S	Bend	trans	-98.1	-25.5	177.4	-54.5	-49.6	0	0	0	111.6	K89 P189 K218	K89-D164 WeakPolarHBondContact CB-OD2 3.35Å; K89-D164 PolarHBondContact N-OD2 2.91Å; K89-D164 VanDerWaalsContact N-OD2 3.17Å; K89-D164 PolarHBondContact O-N 2.8Å; D164-P189 HydrophobicContact CB-CB 3.87Å; D164-P189 HydrophobicContact CB-CG 4.07Å; D164-P189 VanDerWaalsContact O-CB 3.32Å; D164-P189 WeakPolarHBondContact O-CB 3.4Å; D164-K218 WeakPolarHBondContact O-CB 3.34Å; D164-K218 PolarHBondContact O-N 3.35Å; D164-K218 VanDerWaalsContact O-N 3.09Å
165	W	98.9	Very high	98.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.2	-174.8	-61.1	94.3	0	0	0	111.1	K89 I90 L91 L184 P189 V193 F195 V215 L216	K89-W165 PolarHBondContact O-N 3.05Å; K89-W165 VanDerWaalsContact O-N 3.11Å; I90-W165 WeakPolarHBondContact CA-O 3.47Å; I90-W165 HydrophobicContact CG1-CB 4.22Å; L91-W165 PolarHBondContact N-O 3.37Å; W165-L184 HydrophobicContact CB-CD1 3.92Å; W165-L184 HydrophobicContact CD2-CB 4.27Å; W165-L184 HydrophobicContact CD2-CD1 3.79Å; W165-L184 HydrophobicContact CD2-CD2 3.75Å; W165-L184 HydrophobicContact CD2-CG 4.14Å; W165-L184 HydrophobicContact CE3-CD1 4.24Å; W165-L184 HydrophobicContact CE3-CD2 3.53Å; W165-L184 HydrophobicContact CE3-CG 4.39Å; W165-L184 HydrophobicContact CG-CD1 3.64Å; W165-L184 HydrophobicContact CG-CD2 4.5Å; W165-L184 HydrophobicContact CG-CG 4.45Å; W165-L184 HydrophobicContact CH2-CD2 3.89Å; W165-L184 HydrophobicContact CZ2-CB 4.18Å; W165-L184 HydrophobicContact CZ2-CD2 4.08Å; W165-L184 HydrophobicContact CZ3-CD2 3.61Å; W165-P189 HydrophobicContact CZ2-CB 4.35Å; W165-V193 HydrophobicContact CH2-CG1 4.19Å; W165-V193 HydrophobicContact CZ3-CG1 4.24Å; W165-F195 AromaticContact CH2-CE2 3.91Å; W165-F195 HydrophobicContact CH2-CE2 3.91Å; W165-F195 HydrophobicContact CZ3-CD2 4.09Å; W165-F195 AromaticContact CZ3-CE2 3.78Å; W165-F195 HydrophobicContact CZ3-CE2 3.78Å; W165-V215 HydrophobicContact CB-CG2 3.87Å; W165-V215 HydrophobicContact CE3-CG2 4.12Å; W165-L216 WeakPolarHBondContact CA-O 3.39Å
166	F	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	100.7	-172.3	-58.1	-84.7	0	0	0	110.2	L91 F152 V155 F160 A163 V215 L216 K218 L221	L91-F166 HydrophobicContact CB-CD1 4.03Å; L91-F166 HydrophobicContact CB-CE1 4.31Å; L91-F166 HydrophobicContact CD1-CE1 4.47Å; L91-F166 HydrophobicContact CD2-CD1 4.4Å; L91-F166 CarbonylContact O-C 3.31Å; L91-F166 WeakPolarHBondContact O-CA 3.43Å; F152-F166 HydrophobicContact CE1-CB 4.39Å; V155-F166 HydrophobicContact CG1-CD1 3.29Å; V155-F166 HydrophobicContact CG1-CE1 3.56Å; V155-F166 HydrophobicContact CG1-CG 4.28Å; F160-F166 HydrophobicContact CD2-CZ 4.22Å; A163-F166 HydrophobicContact CB-CE1 4.17Å; A163-F166 HydrophobicContact CB-CZ 4.34Å; F166-V215 WeakPolarHBondContact O-CA 3.45Å; F166-L216 PolarHBondContact N-O 3.31Å; F166-L216 PolarHBondContact O-N 3.31Å; F166-K218 HydrophobicContact CE2-CB 4.22Å; F166-K218 HydrophobicContact CE2-CG 4.29Å; F166-L221 HydrophobicContact CB-CD2 4.33Å; F166-L221 HydrophobicContact CD1-CD2 3.66Å; F166-L221 HydrophobicContact CD2-CB 3.96Å; F166-L221 HydrophobicContact CD2-CD2 3.53Å; F166-L221 HydrophobicContact CD2-CG 4.37Å; F166-L221 HydrophobicContact CE1-CD2 3.73Å; F166-L221 HydrophobicContact CE2-CB 4.33Å; F166-L221 HydrophobicContact CE2-CD2 3.65Å; F166-L221 HydrophobicContact CG-CD2 3.54Å; F166-L221 HydrophobicContact CZ-CD2 3.73Å
167	M	98.8	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.8	-175.4	177	63	-176.7	0	0	110.8	I90 L91 C92 W93 V175 L180 Y214 V215 F267	I90-M167 HydrophobicContact CG2-CB 3.98Å; L91-M167 PolarHBondContact O-N 3.07Å; C92-M167 CarbonylContact C-O 3.53Å; C92-M167 WeakPolarHBondContact CA-O 3.36Å; W93-M167 PolarHBondContact N-O 3.17Å; M167-V175 HydrophobicContact CE-CG1 4.18Å; M167-V175 HydrophobicContact CE-CG2 3.98Å; M167-L180 HydrophobicContact CB-CD2 4.45Å; M167-L180 HydrophobicContact CG-CD2 4.24Å; M167-L180 HydrophobicContact SD-CD2 4.22Å; M167-Y214 VanDerWaalsContact SD-C 3.56Å; M167-Y214 VanDerWaalsContact SD-O 3.34Å; M167-V215 HydrophobicContact CB-CB 4.41Å; M167-V215 HydrophobicContact CB-CG2 4.34Å; M167-V215 HydrophobicContact SD-CB 3.9Å; M167-F267 HydrophobicContact CE-CE1 4.18Å
168	K	98.8	Very high	98.3	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.2	166.5	-177.7	-90.2	176.6	173.3	0	109.5	W93 F152 D170 G210 G213 Y214	W93-K168 HydrophobicContact CD2-CB 4.34Å; W93-K168 HydrophobicContact CD2-CG 4.25Å; W93-K168 HydrophobicContact CE3-CG 4.25Å; W93-K168 HydrophobicContact CH2-CB 4.05Å; W93-K168 HydrophobicContact CH2-CD 4.37Å; W93-K168 HydrophobicContact CH2-CG 3.21Å; W93-K168 HydrophobicContact CZ2-CB 3.44Å; W93-K168 VanDerWaalsContact CZ2-CB 3.44Å; W93-K168 HydrophobicContact CZ2-CG 3.15Å; W93-K168 HydrophobicContact CZ3-CG 3.77Å; F152-K168 HydrophobicContact CZ-CB 4.37Å; K168-D170 VanDerWaalsContact CE-OD1 3.25Å; K168-D170 WeakPolarHBondContact CE-OD1 3.41Å; K168-D170 IonicContact NZ-OD1 3.93Å; K168-D170 PolarHBondContact NZ-OD1 3.34Å; K168-D170 IonicContact NZ-OD2 3.37Å; K168-D170 PolarHBondContact NZ-OD2 2.67Å; K168-G210 PolarHBondContact NZ-O 3.34Å; K168-G213 WeakPolarHBondContact O-CA 3.39Å; K168-Y214 HydrophobicContact CB-CD2 4.07Å; K168-Y214 HydrophobicContact CB-CE1 4.32Å; K168-Y214 HydrophobicContact CB-CE2 3.69Å; K168-Y214 HydrophobicContact CD-CD1 4.28Å; K168-Y214 HydrophobicContact CD-CE1 3.7Å; K168-Y214 HydrophobicContact CG-CE1 4.19Å; K168-Y214 HydrophobicContact CG-CE2 4.23Å; K168-Y214 PolarHBondContact N-O 3.46Å; K168-Y214 PolarHBondContact O-N 3.11Å; K168-Y214 VanDerWaalsContact O-N 3.14Å
169	A	98.6	Very high	98.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.4	168.9	0	0	0	0	0	110.8	W93 V94 M95 W112 T173 V175	W93-A169 PolarHBondContact O-N 2.82Å; W93-A169 VanDerWaalsContact O-N 3.1Å; V94-A169 WeakPolarHBondContact CA-O 3.26Å; M95-A169 PolarHBondContact N-O 3.24Å; W112-A169 HydrophobicContact CH2-CB 3.71Å; W112-A169 HydrophobicContact CZ2-CB 3.96Å; A169-T173 HydrophobicContact CB-CG2 4.43Å; A169-V175 HydrophobicContact CB-CG2 4.23Å
170	D	98.4	Very high	98.3	Very high	30 Å²	30	20.4 Å²	20.4	16%	0.16	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	162.9	168	-69.9	-27.8	0	0	0	110.4	K168 D172 T173 G211 H310	K168-D170 VanDerWaalsContact CE-OD1 3.25Å; K168-D170 WeakPolarHBondContact CE-OD1 3.41Å; K168-D170 IonicContact NZ-OD1 3.93Å; K168-D170 PolarHBondContact NZ-OD1 3.34Å; K168-D170 IonicContact NZ-OD2 3.37Å; K168-D170 PolarHBondContact NZ-OD2 2.67Å; D170-D172 WeakPolarHBondContact CB-OD1 3.48Å; D170-D172 PolarHBondContact O-N 3.32Å; D170-D172 VanDerWaalsContact O-N 3.15Å; D170-T173 PolarHBondContact N-OG1 2.9Å; D170-T173 VanDerWaalsContact N-OG1 3.07Å; D170-T173 PolarHBondContact O-N 2.98Å; D170-T173 PolarHBondContact O-OG1 2.97Å; D170-G211 WeakPolarHBondContact OD2-CA 3.25Å; D170-H310 IonicContact OD2-NE2 3.63Å
171	D	97.7	Very high	98.3	Very high	9 Å²	9	18.9 Å²	18.9	5%	0.048	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-0.6	178.6	60.7	17.2	0	0	0	114.3	V94 M95 T96 N100 K104 M317	V94-D171 HydrophobicContact CG1-CB 4.05Å; M95-D171 PolarHBondContact O-N 3.32Å; T96-D171 WeakPolarHBondContact CA-OD2 3.49Å; T96-D171 WeakPolarHBondContact CB-OD2 3.42Å; T96-D171 PolarHBondContact OG1-OD2 3.14Å; N100-D171 WeakPolarHBondContact CB-OD2 3.29Å; N100-D171 PolarHBondContact ND2-OD2 3Å; K104-D171 HydrophobicContact CB-CB 3.92Å; K104-D171 WeakPolarHBondContact CB-O 3.39Å; K104-D171 HydrophobicContact CD-CB 4.39Å; K104-D171 WeakPolarHBondContact CD-OD1 3.3Å; K104-D171 IonicContact NZ-OD1 2.8Å; D171-M317 WeakPolarHBondContact O-CE 3.5Å
172	D	97.8	Very high	98.2	Very high	22 Å²	22	14 Å²	14	12%	0.118	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	25.2	169.4	52.3	19	0	0	0	112.8	K104 D170 H310 Y311 V312	K104-D172 HydrophobicContact CD-CB 4.46Å; K104-D172 IonicContact NZ-OD2 3.01Å; K104-D172 PolarHBondContact NZ-OD2 2.85Å; D170-D172 WeakPolarHBondContact CB-OD1 3.48Å; D170-D172 PolarHBondContact O-N 3.32Å; D170-D172 VanDerWaalsContact O-N 3.15Å; D172-H310 IonicContact OD1-CD2 2.96Å; D172-H310 PolarHBondContact OD1-CD2 3.35Å; D172-H310 IonicContact OD1-CE1 3.91Å; D172-H310 IonicContact OD1-NE2 2.81Å; D172-H310 PolarHBondContact OD1-NE2 2.83Å; D172-Y311 PolarHBondContact O-N 3.41Å; D172-V312 PolarHBondContact O-N 2.74Å
173	T	98.7	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.			trans	-102.2	136.8	167.7	-47.1	0	0	0	0	109.8	W112 A169 D170 V175 G211 F309 H310	W112-T173 PolarHBondContact NE1-O 3.3Å; A169-T173 HydrophobicContact CB-CG2 4.43Å; D170-T173 PolarHBondContact N-OG1 2.9Å; D170-T173 VanDerWaalsContact N-OG1 3.07Å; D170-T173 PolarHBondContact O-N 2.98Å; D170-T173 PolarHBondContact O-OG1 2.97Å; T173-V175 HydrophobicContact CG2-CG2 3.98Å; T173-G211 PolarHBondContact OG1-O 3.01Å; T173-F309 WeakPolarHBondContact CA-O 3.23Å; T173-F309 WeakPolarHBondContact CG2-O 3.44Å; T173-H310 PolarHBondContact OG1-CD2 2.92Å
174	Y	98.7	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.2	166.8	-170.9	-82.9	0	0	0	110	W112 I176 S308 F309 M317 L320 E321 I324	W112-Y174 HydrophobicContact CB-CD2 4.35Å; W112-Y174 HydrophobicContact CB-CE1 4.44Å; W112-Y174 HydrophobicContact CB-CE2 4.03Å; W112-Y174 AromaticContact CD1-CD2 3.57Å; W112-Y174 HydrophobicContact CG-CD2 4.29Å; W112-Y174 HydrophobicContact CG-CE2 4.42Å; Y174-I176 HydrophobicContact CD1-CG1 4.27Å; Y174-I176 HydrophobicContact CE1-CG1 3.96Å; Y174-S308 WeakPolarHBondContact O-CA 3.42Å; Y174-S308 WeakPolarHBondContact O-CB 3.37Å; Y174-F309 PolarHBondContact N-O 2.87Å; Y174-F309 PolarHBondContact O-N 3.04Å; Y174-M317 HydrophobicContact CD2-CB 4.12Å; Y174-M317 HydrophobicContact CD2-CG 4.17Å; Y174-M317 WeakPolarHBondContact CE2-O 3.37Å; Y174-L320 HydrophobicContact CD1-CB 4.21Å; Y174-L320 HydrophobicContact CD1-CD1 4.01Å; Y174-L320 HydrophobicContact CD2-CB 4.14Å; Y174-L320 HydrophobicContact CD2-CD1 4.26Å; Y174-L320 HydrophobicContact CE1-CB 4.04Å; Y174-L320 HydrophobicContact CE2-CB 3.96Å; Y174-L320 HydrophobicContact CG-CB 4.26Å; Y174-L320 HydrophobicContact CG-CD1 3.8Å; Y174-E321 HydrophobicContact CE2-CB 4.36Å; Y174-E321 WeakPolarHBondContact OH-CA 3.41Å; Y174-E321 PolarHBondContact OH-N 3.35Å; Y174-E321 PolarHBondContact OH-OE2 2.84Å; Y174-I324 HydrophobicContact CE1-CD1 3.7Å
175	V	98.8	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.2	-175	-168.3	0	0	0	0	111.6	W112 M167 A169 T173 L177 L180 V307	W112-V175 VanDerWaalsContact CB-O 3.23Å; W112-V175 WeakPolarHBondContact CB-O 3.33Å; W112-V175 HydrophobicContact CD2-CB 4.05Å; W112-V175 HydrophobicContact CD2-CG2 4.26Å; W112-V175 HydrophobicContact CE3-CB 3.83Å; W112-V175 HydrophobicContact CE3-CG2 4.15Å; W112-V175 HydrophobicContact CH2-CG2 3.97Å; W112-V175 HydrophobicContact CZ2-CG2 4.06Å; W112-V175 HydrophobicContact CZ3-CB 4.09Å; W112-V175 HydrophobicContact CZ3-CG2 4.01Å; M167-V175 HydrophobicContact CE-CG1 4.18Å; M167-V175 HydrophobicContact CE-CG2 3.98Å; A169-V175 HydrophobicContact CB-CG2 4.23Å; T173-V175 HydrophobicContact CG2-CG2 3.98Å; V175-L177 HydrophobicContact CB-CD2 3.86Å; V175-L177 HydrophobicContact CG1-CD2 3.79Å; V175-L177 WeakPolarHBondContact O-CD2 3.49Å; V175-L177 PolarHBondContact O-N 3.1Å; V175-L180 HydrophobicContact CG1-CD2 4.49Å; V175-V307 CarbonylContact C-O 3.5Å; V175-V307 WeakPolarHBondContact CA-O 3.39Å; V175-V307 HydrophobicContact CG1-CG1 4.23Å; V175-V307 WeakPolarHBondContact CG1-O 3.2Å
176	I	98.6	Very high	97.9	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.062	7%	0.073	C	C	.	.			trans	-93.3	88.9	176.6	-54	166.7	0	0	0	108.1	Y174 D178 N179 L180 A306 V307 F309 I324	Y174-I176 HydrophobicContact CD1-CG1 4.27Å; Y174-I176 HydrophobicContact CE1-CG1 3.96Å; I176-D178 VanDerWaalsContact C-N 3.25Å; I176-D178 PolarHBondContact O-N 3.4Å; I176-N179 HydrophobicContact CB-CB 4.31Å; I176-N179 HydrophobicContact CG2-CB 4.01Å; I176-N179 WeakPolarHBondContact CG2-ND2 3.33Å; I176-N179 PolarHBondContact O-N 3.35Å; I176-N179 VanDerWaalsContact O-N 3.17Å; I176-L180 PolarHBondContact O-N 3.3Å; I176-L180 VanDerWaalsContact O-N 3.08Å; I176-A306 VanDerWaalsContact CD1-O 3.29Å; I176-A306 WeakPolarHBondContact CD1-O 3.17Å; I176-V307 PolarHBondContact N-O 2.84Å; I176-F309 HydrophobicContact CD1-CE2 4.49Å; I176-I324 HydrophobicContact CD1-CD1 3.72Å; I176-I324 HydrophobicContact CG1-CD1 3.92Å; I176-I324 HydrophobicContact CG2-CG2 4.46Å
177	L	98.3	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.1	-30.5	-170.4	-90.2	-62.2	0	0	0	113.6	I90 W112 R115 V175 L180 R181	I90-L177 HydrophobicContact CB-CD1 4.49Å; I90-L177 HydrophobicContact CD1-CD1 3.97Å; I90-L177 HydrophobicContact CG2-CD1 4.17Å; W112-L177 HydrophobicContact CE3-CD2 3.63Å; W112-L177 HydrophobicContact CZ3-CD2 4.16Å; R115-L177 HydrophobicContact CB-CB 3.88Å; R115-L177 HydrophobicContact CB-CG 4.19Å; V175-L177 HydrophobicContact CB-CD2 3.86Å; V175-L177 HydrophobicContact CG1-CD2 3.79Å; V175-L177 WeakPolarHBondContact O-CD2 3.49Å; V175-L177 PolarHBondContact O-N 3.1Å; L177-L180 HydrophobicContact CD1-CD2 4.14Å; L177-L180 PolarHBondContact O-N 3.3Å; L177-R181 WeakPolarHBondContact O-CG 3.09Å; L177-R181 PolarHBondContact O-N 2.98Å
178	D	96.3	Very high	97.8	Very high	39 Å²	39	20.2 Å²	20.2	21%	0.209	10%	0.104	C	C	.	.	H	α-helix	trans	-68.2	-40.3	179.1	-54.1	-53.8	0	0	0	111.5	I176 L180 R181 W182 Y325	I176-D178 VanDerWaalsContact C-N 3.25Å; I176-D178 PolarHBondContact O-N 3.4Å; D178-L180 VanDerWaalsContact C-N 3.35Å; D178-R181 PolarHBondContact O-N 2.87Å; D178-R181 IonicContact OD1-NH1 3.69Å; D178-W182 PolarHBondContact O-N 3.19Å; D178-Y325 WeakPolarHBondContact OD2-CE1 3.42Å; D178-Y325 PolarHBondContact OD2-OH 3.36Å
179	N	97.4	Very high	97.8	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	11%	0.111	C	C	.	.	H	α-helix	trans	-67.9	-37.7	174.3	-68.9	-8.1	0	0	0	111.1	I176 W182 L183 L305 A306 V307	I176-N179 HydrophobicContact CB-CB 4.31Å; I176-N179 HydrophobicContact CG2-CB 4.01Å; I176-N179 WeakPolarHBondContact CG2-ND2 3.33Å; I176-N179 PolarHBondContact O-N 3.35Å; I176-N179 VanDerWaalsContact O-N 3.17Å; N179-W182 PolarHBondContact O-N 2.74Å; N179-L183 PolarHBondContact O-N 3.41Å; N179-L305 WeakPolarHBondContact ND2-CA 3.4Å; N179-A306 WeakPolarHBondContact CB-O 3.35Å; N179-A306 PolarHBondContact ND2-O 2.93Å; N179-V307 HydrophobicContact CB-CG2 4.29Å
180	L	98.7	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-45.2	173.2	-179.1	54.5	0	0	0	111.2	I90 M167 V175 I176 L177 D178 W182 L183 L184 V215 F267 V307	I90-L180 HydrophobicContact CD1-CB 4.49Å; I90-L180 HydrophobicContact CD1-CD2 3.97Å; I90-L180 HydrophobicContact CD1-CG 3.94Å; M167-L180 HydrophobicContact CB-CD2 4.45Å; M167-L180 HydrophobicContact CG-CD2 4.24Å; M167-L180 HydrophobicContact SD-CD2 4.22Å; V175-L180 HydrophobicContact CG1-CD2 4.49Å; I176-L180 PolarHBondContact O-N 3.3Å; I176-L180 VanDerWaalsContact O-N 3.08Å; L177-L180 HydrophobicContact CD1-CD2 4.14Å; L177-L180 PolarHBondContact O-N 3.3Å; D178-L180 VanDerWaalsContact C-N 3.35Å; L180-W182 VanDerWaalsContact C-N 3.32Å; L180-W182 PolarHBondContact O-N 2.94Å; L180-L183 HydrophobicContact CD1-CD2 4.45Å; L180-L183 WeakPolarHBondContact O-CB 3.16Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L183 VanDerWaalsContact O-N 3.16Å; L180-L184 HydrophobicContact CD1-CD1 3.71Å; L180-L184 HydrophobicContact CD1-CD2 4.33Å; L180-L184 HydrophobicContact CD1-CG 3.8Å; L180-L184 HydrophobicContact CD2-CD1 4.38Å; L180-L184 HydrophobicContact CG-CD1 3.71Å; L180-L184 HydrophobicContact CG-CG 4.22Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L184 PolarHBondContact O-N 3.5Å; L180-V215 HydrophobicContact CD1-CG1 4.1Å; L180-F267 HydrophobicContact CD1-CZ 4Å; L180-V307 HydrophobicContact CB-CG1 3.95Å; L180-V307 HydrophobicContact CB-CG2 4.37Å; L180-V307 HydrophobicContact CD1-CG1 4.03Å; L180-V307 HydrophobicContact CG-CG1 4.39Å
181	R	98.2	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-39.9	177	-72.6	-179.1	179.2	100.6	5.5	112.3	L84 V88 I90 R115 N117 L177 D178 L183 L184 S185	L84-R181 HydrophobicContact CB-CB 4.09Å; V88-R181 HydrophobicContact CB-CB 4.29Å; V88-R181 HydrophobicContact CB-CG 4.07Å; V88-R181 HydrophobicContact CG1-CB 4.43Å; V88-R181 HydrophobicContact CG1-CG 4.15Å; V88-R181 PolarHBondContact O-NE 3.32Å; I90-R181 HydrophobicContact CD1-CG 3.51Å; I90-R181 HydrophobicContact CG1-CG 4.45Å; R115-R181 PolarHBondContact O-NH1 3.2Å; R115-R181 VanDerWaalsContact O-NH1 3.12Å; R115-R181 PolarHBondContact O-NH2 3.4Å; N117-R181 PolarHBondContact OD1-NH2 2.91Å; L177-R181 WeakPolarHBondContact O-CG 3.09Å; L177-R181 PolarHBondContact O-N 2.98Å; D178-R181 PolarHBondContact O-N 2.87Å; D178-R181 IonicContact OD1-NH1 3.69Å; R181-L183 VanDerWaalsContact C-N 3.35Å; R181-L183 PolarHBondContact O-N 3.18Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-S185 VanDerWaalsContact O-CB 3.23Å; R181-S185 WeakPolarHBondContact O-CB 3.33Å; R181-S185 PolarHBondContact O-N 3.15Å
182	W	95.9	Very high	97.9	Very high	28 Å²	28	31 Å²	31	11%	0.106	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-47.5	172.9	170.4	81.4	0	0	0	111.5	L84 D178 N179 L180 L184 S185 D260 T261 L305 P338	L84-W182 HydrophobicContact CD1-CB 4.49Å; D178-W182 PolarHBondContact O-N 3.19Å; N179-W182 PolarHBondContact O-N 2.74Å; L180-W182 VanDerWaalsContact C-N 3.32Å; L180-W182 PolarHBondContact O-N 2.94Å; W182-L184 PolarHBondContact O-N 2.75Å; W182-S185 PolarHBondContact O-N 3.04Å; W182-S185 PolarHBondContact O-OG 2.95Å; W182-D260 HydrophobicContact CH2-CB 4.27Å; W182-D260 HydrophobicContact CZ3-CB 4.49Å; W182-T261 HydrophobicContact CH2-CG2 4.3Å; W182-T261 HydrophobicContact CZ2-CG2 4.14Å; W182-L305 HydrophobicContact CD2-CD1 3.8Å; W182-L305 HydrophobicContact CE3-CB 4.26Å; W182-L305 HydrophobicContact CE3-CD1 3.7Å; W182-L305 HydrophobicContact CH2-CD1 3.37Å; W182-L305 HydrophobicContact CZ2-CD1 3.55Å; W182-L305 HydrophobicContact CZ3-CB 4.1Å; W182-L305 HydrophobicContact CZ3-CD1 3.49Å; W182-L305 VanDerWaalsContact CZ3-CD1 3.49Å; W182-L305 HydrophobicContact CZ3-CG 4.44Å; W182-P338 HydrophobicContact CH2-CB 4.47Å; W182-P338 HydrophobicContact CZ2-CB 3.55Å; W182-P338 HydrophobicContact CZ2-CG 3.71Å
183	L	97.6	Very high	97.9	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-51.4	177.5	175.9	66.8	0	0	0	111.1	N179 L180 R181 S185 Y187 F267	N179-L183 PolarHBondContact O-N 3.41Å; L180-L183 HydrophobicContact CD1-CD2 4.45Å; L180-L183 WeakPolarHBondContact O-CB 3.16Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L183 VanDerWaalsContact O-N 3.16Å; R181-L183 VanDerWaalsContact C-N 3.35Å; R181-L183 PolarHBondContact O-N 3.18Å; L183-S185 PolarHBondContact O-N 3.06Å; L183-Y187 WeakPolarHBondContact O-CD2 3.38Å; L183-F267 HydrophobicContact CD2-CE2 3.75Å; L183-F267 HydrophobicContact CD2-CZ 4.4Å
184	L	98.5	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-27.2	-175.1	-65.4	177.4	0	0	0	113.6	V88 I90 W165 L180 R181 W182 K186 Y187 F195 V215	V88-L184 HydrophobicContact CG1-CB 3.87Å; V88-L184 HydrophobicContact CG1-CD1 4.27Å; I90-L184 HydrophobicContact CD1-CD1 3.91Å; I90-L184 HydrophobicContact CG1-CD1 4.21Å; W165-L184 HydrophobicContact CB-CD1 3.92Å; W165-L184 HydrophobicContact CD2-CB 4.27Å; W165-L184 HydrophobicContact CD2-CD1 3.79Å; W165-L184 HydrophobicContact CD2-CD2 3.75Å; W165-L184 HydrophobicContact CD2-CG 4.14Å; W165-L184 HydrophobicContact CE3-CD1 4.24Å; W165-L184 HydrophobicContact CE3-CD2 3.53Å; W165-L184 HydrophobicContact CE3-CG 4.39Å; W165-L184 HydrophobicContact CG-CD1 3.64Å; W165-L184 HydrophobicContact CG-CD2 4.5Å; W165-L184 HydrophobicContact CG-CG 4.45Å; W165-L184 HydrophobicContact CH2-CD2 3.89Å; W165-L184 HydrophobicContact CZ2-CB 4.18Å; W165-L184 HydrophobicContact CZ2-CD2 4.08Å; W165-L184 HydrophobicContact CZ3-CD2 3.61Å; L180-L184 HydrophobicContact CD1-CD1 3.71Å; L180-L184 HydrophobicContact CD1-CD2 4.33Å; L180-L184 HydrophobicContact CD1-CG 3.8Å; L180-L184 HydrophobicContact CD2-CD1 4.38Å; L180-L184 HydrophobicContact CG-CD1 3.71Å; L180-L184 HydrophobicContact CG-CG 4.22Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 VanDerWaalsContact O-CG 3.25Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L184 PolarHBondContact O-N 3.5Å; R181-L184 PolarHBondContact O-N 2.81Å; W182-L184 PolarHBondContact O-N 2.75Å; L184-K186 PolarHBondContact O-N 3.33Å; L184-Y187 PolarHBondContact O-N 2.84Å; L184-F195 HydrophobicContact CD2-CD2 3.8Å; L184-F195 HydrophobicContact CD2-CE2 4.09Å; L184-V215 HydrophobicContact CD1-CG2 4.14Å; L184-V215 HydrophobicContact CD2-CG1 3.99Å
185	S	96.9	Very high	97.9	Very high	40 Å²	40	30.2 Å²	30.2	28%	0.28	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.1	-179.9	72.2	0	0	0	0	114.6	R181 W182 L183	R181-S185 VanDerWaalsContact O-CB 3.23Å; R181-S185 WeakPolarHBondContact O-CB 3.33Å; R181-S185 PolarHBondContact O-N 3.15Å; W182-S185 PolarHBondContact O-N 3.04Å; W182-S185 PolarHBondContact O-OG 2.95Å; L183-S185 PolarHBondContact O-N 3.06Å
186	K	94.9	Very high	97.9	Very high	86 Å²	86	30.2 Å²	30.2	37%	0.374	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.5	179.4	-56	169.6	-166.1	163.6	0	113.1	L184	L184-K186 PolarHBondContact O-N 3.33Å
187	Y	97.6	Very high	97.9	Very high	75 Å²	75	29.7 Å²	29.7	29%	0.294	15%	0.152	S	C	.	.	S	Bend	trans	-122.2	154	-173.1	-60.9	-85.8	0	0	0	110.9	L183 L184 F195 D257	L183-Y187 WeakPolarHBondContact O-CD2 3.38Å; L184-Y187 PolarHBondContact O-N 2.84Å; Y187-F195 HydrophobicContact CD1-CE1 4.47Å; Y187-F195 AromaticContact CD1-CZ 3.68Å; Y187-F195 HydrophobicContact CD1-CZ 3.68Å; Y187-F195 HydrophobicContact CD2-CE1 4.23Å; Y187-F195 HydrophobicContact CD2-CE2 4.09Å; Y187-F195 AromaticContact CD2-CZ 3.55Å; Y187-F195 HydrophobicContact CD2-CZ 3.55Å; Y187-F195 HydrophobicContact CE1-CE1 4.03Å; Y187-F195 AromaticContact CE1-CZ 3.69Å; Y187-F195 HydrophobicContact CE1-CZ 3.69Å; Y187-F195 AromaticContact CE2-CE1 3.77Å; Y187-F195 HydrophobicContact CE2-CE1 3.77Å; Y187-F195 HydrophobicContact CE2-CE2 4.45Å; Y187-F195 AromaticContact CE2-CZ 3.57Å; Y187-F195 HydrophobicContact CE2-CZ 3.57Å; Y187-F195 HydrophobicContact CG-CE2 4.16Å; Y187-F195 AromaticContact CG-CZ 3.6Å; Y187-F195 HydrophobicContact CG-CZ 3.6Å; Y187-F195 AromaticContact CZ-CE1 3.67Å; Y187-F195 AromaticContact CZ-CZ 3.64Å; Y187-D257 PolarHBondContact OH-O 3.36Å
188	S	98.3	Very high	97.9	Very high	52 Å²	52	30.6 Å²	30.6	36%	0.364	16%	0.155	S	C	.	.			trans	-87.2	133.4	170.8	174.8	0	0	0	0	109.6	E190 Q191	S188-E190 PolarHBondContact O-N 3.29Å; S188-E190 PolarHBondContact OG-N 3.14Å; S188-Q191 WeakPolarHBondContact O-CB 3.38Å; S188-Q191 PolarHBondContact O-N 3.3Å
189	P	98.5	Very high	98	Very high	27 Å²	27	29.1 Å²	29.1	18%	0.175	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	175.4	28.7	-35.7	0	0	0	113.2	D164 W165 Q191 S217 K218 E219	D164-P189 HydrophobicContact CB-CB 3.87Å; D164-P189 HydrophobicContact CB-CG 4.07Å; D164-P189 VanDerWaalsContact O-CB 3.32Å; D164-P189 WeakPolarHBondContact O-CB 3.4Å; W165-P189 HydrophobicContact CZ2-CB 4.35Å; P189-Q191 VanDerWaalsContact C-N 3.31Å; P189-S217 VanDerWaalsContact O-CB 3.32Å; P189-S217 WeakPolarHBondContact O-CB 3.44Å; P189-S217 PolarHBondContact O-OG 3.06Å; P189-K218 HydrophobicContact CB-CB 4.19Å; P189-K218 PolarHBondContact O-N 3.39Å; P189-K218 VanDerWaalsContact O-N 3.15Å; P189-E219 PolarHBondContact O-N 2.8Å; P189-E219 VanDerWaalsContact O-N 3.1Å
190	E	98.6	Very high	98	Very high	113 Å²	113	34.3 Å²	34.3	53%	0.528	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.2	174.8	-58	-55.7	148.8	0	0	112.9	S188 E219	S188-E190 PolarHBondContact O-N 3.29Å; S188-E190 PolarHBondContact OG-N 3.14Å; E190-E219 VanDerWaalsContact O-CB 3.29Å; E190-E219 WeakPolarHBondContact O-CB 3.32Å; E190-E219 WeakPolarHBondContact O-CG 3.47Å
191	Q	98.5	Very high	97.8	Very high	94 Å²	94	35.6 Å²	35.6	44%	0.439	18%	0.177	S	C	.	.	S	Bend	trans	-76	135.7	171.9	-71.7	171.5	-32.9	0	0	109.4	S188 P189 V193 S217	S188-Q191 WeakPolarHBondContact O-CB 3.38Å; S188-Q191 PolarHBondContact O-N 3.3Å; P189-Q191 VanDerWaalsContact C-N 3.31Å; Q191-V193 VanDerWaalsContact C-N 3.3Å; Q191-V193 HydrophobicContact CB-CG1 4.23Å; Q191-V193 PolarHBondContact O-N 3.33Å; Q191-S217 VanDerWaalsContact O-CB 3.26Å; Q191-S217 WeakPolarHBondContact O-CB 3.46Å; Q191-S217 PolarHBondContact O-OG 2.75Å
192	P	98.7	Very high	97.7	Very high	37 Å²	37	43 Å²	43	24%	0.24	21%	0.206	C	C	.	.			trans	-76.2	80.5	177.8	32.6	-36	0	0	0	110.2	E219 R223 V253 E254	P192-E219 HydrophobicContact CB-CG 3.99Å; P192-R223 VanDerWaalsContact CB-CZ 3.49Å; P192-V253 HydrophobicContact CB-CG2 3.99Å; P192-V253 CarbonylContact O-C 3.59Å; P192-V253 WeakPolarHBondContact O-CA 3.39Å; P192-E254 PolarHBondContact O-N 3.29Å
193	V	98.9	Very high	97.7	Very high	6 Å²	6	42 Å²	42	4%	0.036	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.3	-174.1	66.8	0	0	0	0	111.1	W165 Q191 F195 S217 E254	W165-V193 HydrophobicContact CH2-CG1 4.19Å; W165-V193 HydrophobicContact CZ3-CG1 4.24Å; Q191-V193 VanDerWaalsContact C-N 3.3Å; Q191-V193 HydrophobicContact CB-CG1 4.23Å; Q191-V193 PolarHBondContact O-N 3.33Å; V193-F195 HydrophobicContact CB-CE2 4.36Å; V193-F195 HydrophobicContact CB-CZ 4.4Å; V193-F195 HydrophobicContact CG1-CE2 3.67Å; V193-F195 HydrophobicContact CG1-CZ 3.96Å; V193-F195 HydrophobicContact CG2-CD2 4.47Å; V193-F195 HydrophobicContact CG2-CE1 4Å; V193-F195 HydrophobicContact CG2-CE2 3.78Å; V193-F195 HydrophobicContact CG2-CZ 3.49Å; V193-F195 VanDerWaalsContact CG2-CZ 3.49Å; V193-S217 PolarHBondContact N-OG 3.08Å; V193-S217 WeakPolarHBondContact O-CB 3.38Å; V193-S217 PolarHBondContact O-N 3.44Å; V193-S217 PolarHBondContact O-OG 3.42Å; V193-E254 WeakPolarHBondContact CA-O 3.5Å; V193-E254 WeakPolarHBondContact CG2-O 3.27Å
194	Y	98.9	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.7	171.5	74.4	-57.5	0	0	0	110.7	M208 V215 M248 V253 E254 A255 G256	Y194-M208 HydrophobicContact CD2-CB 4.46Å; Y194-M208 HydrophobicContact CD2-CE 4.47Å; Y194-M208 HydrophobicContact CD2-CG 3.62Å; Y194-M208 HydrophobicContact CE2-CB 4.17Å; Y194-M208 HydrophobicContact CE2-CE 4.34Å; Y194-M208 HydrophobicContact CE2-CG 3.41Å; Y194-M208 VanDerWaalsContact CE2-CG 3.41Å; Y194-M208 WeakPolarHBondContact O-CE 3.35Å; Y194-V215 CarbonylContact C-O 3.57Å; Y194-V215 WeakPolarHBondContact CA-O 3.29Å; Y194-V215 WeakPolarHBondContact CB-O 3.48Å; Y194-M248 HydrophobicContact CD1-CB 4.31Å; Y194-M248 HydrophobicContact CD1-CG 4.2Å; Y194-M248 HydrophobicContact CD2-CG 4.23Å; Y194-M248 HydrophobicContact CE1-CB 3.69Å; Y194-M248 HydrophobicContact CE1-CG 3.93Å; Y194-M248 HydrophobicContact CE2-CB 4.4Å; Y194-M248 HydrophobicContact CE2-CG 3.93Å; Y194-M248 HydrophobicContact CG-CG 4.37Å; Y194-V253 HydrophobicContact CD1-CG1 3.57Å; Y194-V253 HydrophobicContact CE1-CG1 4.21Å; Y194-V253 HydrophobicContact CG-CG1 4.27Å; Y194-E254 WeakPolarHBondContact CD1-O 3.32Å; Y194-E254 PolarHBondContact N-O 3.04Å; Y194-A255 VanDerWaalsContact CE1-CA 3.42Å; Y194-A255 HydrophobicContact CE1-CB 3.82Å; Y194-G256 PolarHBondContact O-N 3.12Å
195	F	98.9	Very high	97.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.5	-174.5	-57.5	-85.4	0	0	0	111	W165 L184 Y187 V193 Y214 V215 G256	W165-F195 AromaticContact CH2-CE2 3.91Å; W165-F195 HydrophobicContact CH2-CE2 3.91Å; W165-F195 HydrophobicContact CZ3-CD2 4.09Å; W165-F195 AromaticContact CZ3-CE2 3.78Å; W165-F195 HydrophobicContact CZ3-CE2 3.78Å; L184-F195 HydrophobicContact CD2-CD2 3.8Å; L184-F195 HydrophobicContact CD2-CE2 4.09Å; Y187-F195 HydrophobicContact CD1-CE1 4.47Å; Y187-F195 AromaticContact CD1-CZ 3.68Å; Y187-F195 HydrophobicContact CD1-CZ 3.68Å; Y187-F195 HydrophobicContact CD2-CE1 4.23Å; Y187-F195 HydrophobicContact CD2-CE2 4.09Å; Y187-F195 AromaticContact CD2-CZ 3.55Å; Y187-F195 HydrophobicContact CD2-CZ 3.55Å; Y187-F195 HydrophobicContact CE1-CE1 4.03Å; Y187-F195 AromaticContact CE1-CZ 3.69Å; Y187-F195 HydrophobicContact CE1-CZ 3.69Å; Y187-F195 AromaticContact CE2-CE1 3.77Å; Y187-F195 HydrophobicContact CE2-CE1 3.77Å; Y187-F195 HydrophobicContact CE2-CE2 4.45Å; Y187-F195 AromaticContact CE2-CZ 3.57Å; Y187-F195 HydrophobicContact CE2-CZ 3.57Å; Y187-F195 HydrophobicContact CG-CE2 4.16Å; Y187-F195 AromaticContact CG-CZ 3.6Å; Y187-F195 HydrophobicContact CG-CZ 3.6Å; Y187-F195 AromaticContact CZ-CE1 3.67Å; Y187-F195 AromaticContact CZ-CZ 3.64Å; V193-F195 HydrophobicContact CB-CE2 4.36Å; V193-F195 HydrophobicContact CB-CZ 4.4Å; V193-F195 HydrophobicContact CG1-CE2 3.67Å; V193-F195 HydrophobicContact CG1-CZ 3.96Å; V193-F195 HydrophobicContact CG2-CD2 4.47Å; V193-F195 HydrophobicContact CG2-CE1 4Å; V193-F195 HydrophobicContact CG2-CE2 3.78Å; V193-F195 HydrophobicContact CG2-CZ 3.49Å; V193-F195 VanDerWaalsContact CG2-CZ 3.49Å; F195-Y214 CarbonylContact O-C 3.55Å; F195-Y214 WeakPolarHBondContact O-CA 3.24Å; F195-Y214 WeakPolarHBondContact O-CB 3.45Å; F195-V215 HydrophobicContact CB-CG1 3.73Å; F195-V215 HydrophobicContact CD2-CG1 4.2Å; F195-V215 HydrophobicContact CG-CG1 4.47Å; F195-V215 PolarHBondContact N-O 3.01Å; F195-V215 PolarHBondContact O-N 3.35Å; F195-G256 VanDerWaalsContact CD1-C 3.5Å; F195-G256 VanDerWaalsContact CE1-CA 3.47Å
196	G	98.6	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-162.1	178.4	0	0	0	0	0	111.2	R198 M208 S258	G196-R198 PolarHBondContact O-N 3.06Å; G196-M208 VanDerWaalsContact C-SD 3.57Å; G196-M208 PolarHBondContact N-SD 3.16Å; G196-S258 PolarHBondContact O-OG 3.03Å
197	R	98.1	Very high	97.9	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	22%	0.221	C	C	.	.			trans	-81	105.9	172.4	173	52	167.6	-130.9	6.6	110.1	F199 M208 S209 A212 E265 F267 P269 Y287 N291	R197-F199 HydrophobicContact CG-CD1 4.44Å; R197-F199 HydrophobicContact CG-CE1 3.91Å; R197-F199 HydrophobicContact CG-CZ 4.31Å; R197-F199 PolarHBondContact O-N 2.84Å; R197-M208 CarbonylContact O-C 3.03Å; R197-M208 WeakPolarHBondContact O-CA 3.44Å; R197-S209 PolarHBondContact O-N 2.8Å; R197-A212 HydrophobicContact CB-CB 3.7Å; R197-E265 WeakPolarHBondContact CD-OE2 3.28Å; R197-E265 IonicContact CZ-OE2 3.31Å; R197-E265 IonicContact NE-OE2 2.67Å; R197-E265 VanDerWaalsContact NH1-CB 3.26Å; R197-E265 IonicContact NH1-OE1 3.68Å; R197-E265 IonicContact NH1-OE2 3.31Å; R197-E265 PolarHBondContact NH1-OE2 3.42Å; R197-F267 HydrophobicContact CB-CB 3.78Å; R197-F267 WeakPolarHBondContact CD-O 3.36Å; R197-F267 VanDerWaalsContact N-CB 3.35Å; R197-F267 PolarHBondContact NH1-O 3.02Å; R197-P269 HydrophobicContact CG-CG 4.21Å; R197-Y287 VanDerWaalsContact NH2-CZ 3.35Å; R197-Y287 PolarHBondContact NH2-OH 2.74Å; R197-N291 PolarHBondContact NE-OD1 3.47Å; R197-N291 PolarHBondContact NH2-OD1 2.8Å
198	R	98.3	Very high	98	Very high	19 Å²	19	43.7 Å²	43.7	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122	-175	-162.4	-176.3	-58.4	-169.5	9.4	113.2	G196 Y207 M208 A255 G256 Y292 Y293	G196-R198 PolarHBondContact O-N 3.06Å; R198-Y207 CarbonylContact C-O 3.49Å; R198-Y207 WeakPolarHBondContact CA-O 3.27Å; R198-M208 HydrophobicContact CB-SD 3.9Å; R198-M208 HydrophobicContact CG-SD 4.25Å; R198-A255 PolarHBondContact NH1-O 3.16Å; R198-A255 PolarHBondContact NH2-O 3.25Å; R198-G256 PolarHBondContact NH2-O 3.23Å; R198-Y292 HydrophobicContact CB-CG 4.49Å; R198-Y292 VanDerWaalsContact CD-CG 3.43Å; R198-Y292 HydrophobicContact CG-CD2 4.07Å; R198-Y292 HydrophobicContact CG-CG 3.93Å; R198-Y292 WeakPolarHBondContact O-CB 3.34Å; R198-Y292 PolarHBondContact O-N 3.48Å; R198-Y292 VanDerWaalsContact O-N 3.16Å; R198-Y293 HydrophobicContact CB-CE2 4.43Å; R198-Y293 PolarHBondContact NH2-OH 2.86Å
199	F	98.2	Very high	98	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.7	166.6	-65.6	-30	0	0	0	112	R197 G206 Y207 S209 P269 W286 Y290	R197-F199 HydrophobicContact CG-CD1 4.44Å; R197-F199 HydrophobicContact CG-CE1 3.91Å; R197-F199 HydrophobicContact CG-CZ 4.31Å; R197-F199 PolarHBondContact O-N 2.84Å; F199-G206 CarbonylContact O-C 3.47Å; F199-G206 WeakPolarHBondContact O-CA 3.42Å; F199-Y207 HydrophobicContact CB-CD1 4.12Å; F199-Y207 HydrophobicContact CB-CE1 3.6Å; F199-Y207 HydrophobicContact CB-CE2 4.13Å; F199-Y207 AromaticContact CD2-CE2 3.9Å; F199-Y207 HydrophobicContact CD2-CE2 3.9Å; F199-Y207 AromaticContact CD2-CZ 3.94Å; F199-Y207 PolarHBondContact N-O 3.4Å; F199-Y207 PolarHBondContact O-N 3.49Å; F199-S209 VanDerWaalsContact CE2-CB 3.47Å; F199-P269 HydrophobicContact CZ-CB 4.1Å; F199-P269 HydrophobicContact CZ-CG 4.27Å; F199-W286 HydrophobicContact CE1-CZ3 4.21Å; F199-W286 HydrophobicContact CE2-CH2 4.34Å; F199-W286 HydrophobicContact CE2-CZ3 4.19Å; F199-W286 AromaticContact CZ-CH2 3.88Å; F199-W286 HydrophobicContact CZ-CH2 3.88Å; F199-W286 AromaticContact CZ-CZ3 3.78Å; F199-W286 HydrophobicContact CZ-CZ3 3.78Å; F199-Y290 CarbonylContact C-O 3.56Å; F199-Y290 WeakPolarHBondContact CA-O 2.76Å; F199-Y290 HydrophobicContact CB-CD1 4.49Å; F199-Y290 HydrophobicContact CD2-CD1 4.17Å; F199-Y290 HydrophobicContact CG-CD1 4.23Å
200	K	97	Very high	97.9	Very high	132 Å²	132	40.5 Å²	40.5	57%	0.574	19%	0.186	S	C	*	.			trans	-87.7	-40.1	-175.5	-176.2	179	175.9	-178.7	0	115.7	Y290 Y292	K200-Y290 PolarHBondContact N-O 3.3Å; K200-Y292 HydrophobicContact CB-CD2 4.12Å; K200-Y292 HydrophobicContact CG-CD2 4.36Å
201	P	95.3	Very high	97.8	Very high	28 Å²	28	35.6 Å²	35.6	18%	0.182	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	156.3	-170.5	-27.7	37.9	0	0	0	113.4	V203 Y207 Y290	P201-V203 PolarHBondContact O-N 2.97Å; P201-Y207 WeakPolarHBondContact O-CD1 3.2Å; P201-Y207 WeakPolarHBondContact O-CE1 3.45Å; P201-Y290 HydrophobicContact CG-CD1 4.18Å; P201-Y290 HydrophobicContact CG-CD2 4.03Å; P201-Y290 HydrophobicContact CG-CE1 4.38Å; P201-Y290 HydrophobicContact CG-CE2 4.24Å; P201-Y290 HydrophobicContact CG-CG 3.99Å
202	Y	95.5	Very high	97.8	Very high	155 Å²	155	31.1 Å²	31.1	61%	0.608	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	-21.2	165	-42.2	-62.6	0	0	0	119.4	Y207 L242 Y290	Y202-Y207 HydrophobicContact CD2-CE1 4.43Å; Y202-L242 HydrophobicContact CD2-CD1 4.25Å; Y202-L242 HydrophobicContact CD2-CD2 4.17Å; Y202-L242 HydrophobicContact CG-CD1 4.26Å; Y202-L242 HydrophobicContact CG-CD2 4.32Å; Y202-Y290 HydrophobicContact CE2-CE1 4.39Å; Y202-Y290 PolarHBondContact OH-OH 2.72Å
203	V	96.9	Very high	97.8	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.036	13%	0.133	C	C	.	.	S	Bend	trans	-126.8	132.3	176.7	-174	0	0	0	0	108.5	P201 Q205 G206 Y207 L242 K246 E249	P201-V203 PolarHBondContact O-N 2.97Å; V203-Q205 HydrophobicContact CG1-CG 4.11Å; V203-Q205 PolarHBondContact O-N 2.72Å; V203-G206 VanDerWaalsContact CG1-O 3.29Å; V203-G206 WeakPolarHBondContact CG1-O 3.44Å; V203-G206 WeakPolarHBondContact O-CA 3.23Å; V203-G206 PolarHBondContact O-N 3.01Å; V203-Y207 HydrophobicContact CB-CD1 4.41Å; V203-Y207 HydrophobicContact CG2-CD1 4.13Å; V203-Y207 HydrophobicContact CG2-CG 4.45Å; V203-L242 HydrophobicContact CG2-CD1 3.59Å; V203-K246 HydrophobicContact CG2-CG 3.76Å; V203-E249 HydrophobicContact CG1-CB 4.1Å; V203-E249 HydrophobicContact CG1-CG 4.5Å
204	K	97.3	Very high	97.8	Very high	192 Å²	192	29 Å²	29	84%	0.835	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-41.9	-170.1	177.6	-172.6	177	-173.9	0	111.8	G206 E249	K204-G206 PolarHBondContact O-N 3.21Å; K204-E249 WeakPolarHBondContact CA-OE1 3.35Å; K204-E249 VanDerWaalsContact CB-OE1 3.28Å; K204-E249 WeakPolarHBondContact CB-OE1 3.15Å; K204-E249 PolarHBondContact N-OE1 2.93Å; K204-E249 VanDerWaalsContact N-OE1 3.14Å
205	Q	97.8	Very high	97.8	Very high	38 Å²	38	29 Å²	29	18%	0.178	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.2	172.6	69.1	170.6	-23	0	0	114.2	V203 E249 V253 A255	V203-Q205 HydrophobicContact CG1-CG 4.11Å; V203-Q205 PolarHBondContact O-N 2.72Å; Q205-E249 HydrophobicContact CG-CB 4.24Å; Q205-E249 HydrophobicContact CG-CG 4.28Å; Q205-E249 WeakPolarHBondContact CG-OE1 3.47Å; Q205-E249 PolarHBondContact N-OE1 3.17Å; Q205-E249 VanDerWaalsContact NE2-N 3.19Å; Q205-V253 PolarHBondContact NE2-O 2.82Å; Q205-V253 PolarHBondContact OE1-O 2.69Å; Q205-A255 HydrophobicContact CG-CB 4.27Å
206	G	98.2	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.			trans	82.1	-179.6	-166.3	0	0	0	0	0	113.2	F199 V203 K204	F199-G206 CarbonylContact O-C 3.47Å; F199-G206 WeakPolarHBondContact O-CA 3.42Å; V203-G206 VanDerWaalsContact CG1-O 3.29Å; V203-G206 WeakPolarHBondContact CG1-O 3.44Å; V203-G206 WeakPolarHBondContact O-CA 3.23Å; V203-G206 PolarHBondContact O-N 3.01Å; K204-G206 PolarHBondContact O-N 3.21Å
207	Y	98.4	Very high	97.8	Very high	9 Å²	9	29 Å²	29	4%	0.035	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.8	178.5	64.4	-75.2	0	0	0	109.8	R198 F199 P201 Y202 V203 D241 L242 Y290	R198-Y207 CarbonylContact C-O 3.49Å; R198-Y207 WeakPolarHBondContact CA-O 3.27Å; F199-Y207 HydrophobicContact CB-CD1 4.12Å; F199-Y207 HydrophobicContact CB-CE1 3.6Å; F199-Y207 HydrophobicContact CB-CE2 4.13Å; F199-Y207 AromaticContact CD2-CE2 3.9Å; F199-Y207 HydrophobicContact CD2-CE2 3.9Å; F199-Y207 AromaticContact CD2-CZ 3.94Å; F199-Y207 PolarHBondContact N-O 3.4Å; F199-Y207 PolarHBondContact O-N 3.49Å; P201-Y207 WeakPolarHBondContact O-CD1 3.2Å; P201-Y207 WeakPolarHBondContact O-CE1 3.45Å; Y202-Y207 HydrophobicContact CD2-CE1 4.43Å; V203-Y207 HydrophobicContact CB-CD1 4.41Å; V203-Y207 HydrophobicContact CG2-CD1 4.13Å; V203-Y207 HydrophobicContact CG2-CG 4.45Å; Y207-D241 HydrophobicContact CD2-CB 4.21Å; Y207-L242 HydrophobicContact CD1-CD1 4.35Å; Y207-L242 HydrophobicContact CD2-CB 4.46Å; Y207-L242 HydrophobicContact CE1-CD1 4.41Å; Y207-L242 HydrophobicContact CE2-CB 4.33Å; Y207-Y290 WeakPolarHBondContact OH-CE1 3.28Å
208	M	98.6	Very high	97.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.3	-177.3	-56.1	-54.9	176.5	0	0	110.6	Y194 G196 R197 R198 G210 Y214 D241 A255	Y194-M208 HydrophobicContact CD2-CB 4.46Å; Y194-M208 HydrophobicContact CD2-CE 4.47Å; Y194-M208 HydrophobicContact CD2-CG 3.62Å; Y194-M208 HydrophobicContact CE2-CB 4.17Å; Y194-M208 HydrophobicContact CE2-CE 4.34Å; Y194-M208 HydrophobicContact CE2-CG 3.41Å; Y194-M208 VanDerWaalsContact CE2-CG 3.41Å; Y194-M208 WeakPolarHBondContact O-CE 3.35Å; G196-M208 VanDerWaalsContact C-SD 3.57Å; G196-M208 PolarHBondContact N-SD 3.16Å; R197-M208 CarbonylContact O-C 3.03Å; R197-M208 WeakPolarHBondContact O-CA 3.44Å; R198-M208 HydrophobicContact CB-SD 3.9Å; R198-M208 HydrophobicContact CG-SD 4.25Å; M208-G210 PolarHBondContact O-N 3.5Å; M208-Y214 HydrophobicContact CB-CD1 4.5Å; M208-Y214 HydrophobicContact CB-CG 4.38Å; M208-D241 VanDerWaalsContact O-CB 3.27Å; M208-D241 WeakPolarHBondContact O-CB 3.05Å; M208-A255 HydrophobicContact CE-CB 3.76Å
209	S	98.1	Very high	97.9	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.063	14%	0.14	C	C	.	.			trans	-53.9	128.5	175.6	-179.1	0	0	0	0	111.6	R197 F199 G211 G213	R197-S209 PolarHBondContact O-N 2.8Å; F199-S209 VanDerWaalsContact CE2-CB 3.47Å; S209-G211 PolarHBondContact O-N 2.91Å; S209-G213 PolarHBondContact O-N 3.33Å
210	G	97.3	Very high	97.9	Very high	4 Å²	4	30.6 Å²	30.6	4%	0.041	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-40.4	179.2	0	0	0	0	0	113.2	K168 M208 G213 D241	K168-G210 PolarHBondContact NZ-O 3.34Å; M208-G210 PolarHBondContact O-N 3.5Å; G210-G213 PolarHBondContact O-N 2.84Å; G210-D241 PolarHBondContact N-OD2 3.16Å
211	G	97.1	Very high	98	Very high	9 Å²	9	24.3 Å²	24.3	9%	0.093	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-40.9	-176.9	0	0	0	0	0	113.9	D170 T173 S209 G213 H310	D170-G211 WeakPolarHBondContact OD2-CA 3.25Å; T173-G211 PolarHBondContact OG1-O 3.01Å; S209-G211 PolarHBondContact O-N 2.91Å; G211-G213 PolarHBondContact O-N 3.47Å; G211-H310 VanDerWaalsContact CA-CD2 3.47Å; G211-H310 WeakPolarHBondContact CA-CD2 3.45Å; G211-H310 VanDerWaalsContact CA-CG 3.45Å; G211-H310 WeakPolarHBondContact CA-ND1 3.41Å; G211-H310 WeakPolarHBondContact O-CB 3.42Å; G211-H310 PolarHBondContact O-CD2 3.42Å
212	A	97.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.7	171.8	0	0	0	0	0	112.2	R197 F267 H268 S308	R197-A212 HydrophobicContact CB-CB 3.7Å; A212-F267 HydrophobicContact CB-CB 4.26Å; A212-H268 WeakPolarHBondContact CB-O 3.18Å; A212-S308 VanDerWaalsContact O-CB 3.28Å; A212-S308 WeakPolarHBondContact O-CB 3.26Å; A212-S308 PolarHBondContact O-OG 2.66Å
213	G	98.6	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.			trans	78.2	161.2	-171.5	0	0	0	0	0	112	K168 S209 G210 G211	K168-G213 WeakPolarHBondContact O-CA 3.39Å; S209-G213 PolarHBondContact O-N 3.33Å; G210-G213 PolarHBondContact O-N 2.84Å; G211-G213 PolarHBondContact O-N 3.47Å
214	Y	98.9	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151.8	179.2	55.7	-102.2	0	0	0	110.3	T148 F152 M167 K168 F195 M208 L216 E240 L244	T148-Y214 VanDerWaalsContact CG2-OH 3.3Å; T148-Y214 WeakPolarHBondContact CG2-OH 3.25Å; F152-Y214 AromaticContact CE2-CE2 3.86Å; F152-Y214 HydrophobicContact CE2-CE2 3.86Å; F152-Y214 AromaticContact CZ-CE2 3.74Å; F152-Y214 HydrophobicContact CZ-CE2 3.74Å; M167-Y214 VanDerWaalsContact SD-C 3.56Å; M167-Y214 VanDerWaalsContact SD-O 3.34Å; K168-Y214 HydrophobicContact CB-CD2 4.07Å; K168-Y214 HydrophobicContact CB-CE1 4.32Å; K168-Y214 HydrophobicContact CB-CE2 3.69Å; K168-Y214 HydrophobicContact CD-CD1 4.28Å; K168-Y214 HydrophobicContact CD-CE1 3.7Å; K168-Y214 HydrophobicContact CG-CE1 4.19Å; K168-Y214 HydrophobicContact CG-CE2 4.23Å; K168-Y214 PolarHBondContact N-O 3.46Å; K168-Y214 PolarHBondContact O-N 3.11Å; K168-Y214 VanDerWaalsContact O-N 3.14Å; F195-Y214 CarbonylContact O-C 3.55Å; F195-Y214 WeakPolarHBondContact O-CA 3.24Å; F195-Y214 WeakPolarHBondContact O-CB 3.45Å; M208-Y214 HydrophobicContact CB-CD1 4.5Å; M208-Y214 HydrophobicContact CB-CG 4.38Å; Y214-L216 HydrophobicContact CD2-CD1 3.5Å; Y214-L216 HydrophobicContact CE2-CD1 3.78Å; Y214-E240 PolarHBondContact OH-OE1 3.5Å; Y214-L244 HydrophobicContact CD1-CD2 4.35Å; Y214-L244 HydrophobicContact CD2-CD2 3.87Å; Y214-L244 HydrophobicContact CE1-CD2 3.89Å; Y214-L244 HydrophobicContact CE2-CD1 4.43Å; Y214-L244 HydrophobicContact CE2-CD2 3.34Å; Y214-L244 HydrophobicContact CG-CD2 4.36Å
215	V	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.2	-176.6	60.6	0	0	0	0	110.3	W165 F166 M167 L180 L184 Y194 F195 F267	W165-V215 HydrophobicContact CB-CG2 3.87Å; W165-V215 HydrophobicContact CE3-CG2 4.12Å; F166-V215 WeakPolarHBondContact O-CA 3.45Å; M167-V215 HydrophobicContact CB-CB 4.41Å; M167-V215 HydrophobicContact CB-CG2 4.34Å; M167-V215 HydrophobicContact SD-CB 3.9Å; L180-V215 HydrophobicContact CD1-CG1 4.1Å; L184-V215 HydrophobicContact CD1-CG2 4.14Å; L184-V215 HydrophobicContact CD2-CG1 3.99Å; Y194-V215 CarbonylContact C-O 3.57Å; Y194-V215 WeakPolarHBondContact CA-O 3.29Å; Y194-V215 WeakPolarHBondContact CB-O 3.48Å; F195-V215 HydrophobicContact CB-CG1 3.73Å; F195-V215 HydrophobicContact CD2-CG1 4.2Å; F195-V215 HydrophobicContact CG-CG1 4.47Å; F195-V215 PolarHBondContact N-O 3.01Å; F195-V215 PolarHBondContact O-N 3.35Å; V215-F267 HydrophobicContact CG1-CZ 4.44Å
216	L	98.9	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.4	174.7	-81.8	59.3	0	0	0	109.1	F152 W165 F166 Y214 A220 M248	F152-L216 HydrophobicContact CE1-CD2 3.99Å; F152-L216 HydrophobicContact CE2-CD2 4.25Å; F152-L216 HydrophobicContact CZ-CD1 3.98Å; F152-L216 HydrophobicContact CZ-CD2 3.86Å; W165-L216 WeakPolarHBondContact CA-O 3.39Å; F166-L216 PolarHBondContact N-O 3.31Å; F166-L216 PolarHBondContact O-N 3.31Å; Y214-L216 HydrophobicContact CD2-CD1 3.5Å; Y214-L216 HydrophobicContact CE2-CD1 3.78Å; L216-A220 HydrophobicContact CB-CB 4.09Å; L216-A220 HydrophobicContact CG-CB 4.21Å; L216-M248 HydrophobicContact CD1-CE 4.33Å; L216-M248 HydrophobicContact CD2-CE 3.56Å; L216-M248 HydrophobicContact CG-CE 4.04Å
217	S	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	164.1	163.2	75.7	0	0	0	0	111.4	P189 Q191 V193 E219 A220 L221	P189-S217 VanDerWaalsContact O-CB 3.32Å; P189-S217 WeakPolarHBondContact O-CB 3.44Å; P189-S217 PolarHBondContact O-OG 3.06Å; Q191-S217 VanDerWaalsContact O-CB 3.26Å; Q191-S217 WeakPolarHBondContact O-CB 3.46Å; Q191-S217 PolarHBondContact O-OG 2.75Å; V193-S217 PolarHBondContact N-OG 3.08Å; V193-S217 WeakPolarHBondContact O-CB 3.38Å; V193-S217 PolarHBondContact O-N 3.44Å; V193-S217 PolarHBondContact O-OG 3.42Å; S217-E219 VanDerWaalsContact C-N 3.32Å; S217-E219 PolarHBondContact O-N 3.46Å; S217-A220 PolarHBondContact O-N 3.2Å; S217-A220 VanDerWaalsContact O-N 3.15Å; S217-A220 WeakPolarHBondContact OG-CB 3.18Å; S217-A220 PolarHBondContact OG-N 2.7Å; S217-L221 PolarHBondContact O-N 2.97Å
218	K	98.8	Very high	98.5	Very high	29 Å²	29	16.3 Å²	16.3	13%	0.126	8%	0.08	C	C	.	.	H	α-helix	trans	-55.8	-46.1	174.9	-170	164.9	-176.9	163.2	0	112.5	F160 D161 D164 F166 P189 A220 L221 K222	F160-K218 HydrophobicContact CD2-CG 4.41Å; F160-K218 HydrophobicContact CE1-CD 4.39Å; F160-K218 HydrophobicContact CE1-CG 4.15Å; F160-K218 HydrophobicContact CE2-CG 3.62Å; F160-K218 WeakPolarHBondContact CE2-O 3.46Å; F160-K218 HydrophobicContact CZ-CD 4.18Å; F160-K218 HydrophobicContact CZ-CG 3.46Å; F160-K218 VanDerWaalsContact CZ-CG 3.46Å; F160-K218 VanDerWaalsContact O-CE 3.28Å; F160-K218 WeakPolarHBondContact O-CE 3.48Å; F160-K218 PolarHBondContact O-NZ 2.93Å; D161-K218 IonicContact OD1-NZ 2.67Å; D161-K218 PolarHBondContact OD1-NZ 3.37Å; D164-K218 WeakPolarHBondContact O-CB 3.34Å; D164-K218 PolarHBondContact O-N 3.35Å; D164-K218 VanDerWaalsContact O-N 3.09Å; F166-K218 HydrophobicContact CE2-CB 4.22Å; F166-K218 HydrophobicContact CE2-CG 4.29Å; P189-K218 HydrophobicContact CB-CB 4.19Å; P189-K218 PolarHBondContact O-N 3.39Å; P189-K218 VanDerWaalsContact O-N 3.15Å; K218-A220 PolarHBondContact O-N 2.98Å; K218-L221 PolarHBondContact O-N 3.23Å; K218-K222 PolarHBondContact O-N 3.48Å; K218-K222 VanDerWaalsContact O-N 3.15Å
219	E	98.9	Very high	98.4	Very high	30 Å²	30	22.1 Å²	22.1	14%	0.14	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-36.9	176.5	178	62.3	-171.4	0	0	112.2	P189 E190 P192 S217 K222 R223	P189-E219 PolarHBondContact O-N 2.8Å; P189-E219 VanDerWaalsContact O-N 3.1Å; E190-E219 VanDerWaalsContact O-CB 3.29Å; E190-E219 WeakPolarHBondContact O-CB 3.32Å; E190-E219 WeakPolarHBondContact O-CG 3.47Å; P192-E219 HydrophobicContact CB-CG 3.99Å; S217-E219 VanDerWaalsContact C-N 3.32Å; S217-E219 PolarHBondContact O-N 3.46Å; E219-K222 PolarHBondContact O-N 2.75Å; E219-K222 IonicContact OE2-NZ 2.88Å; E219-R223 WeakPolarHBondContact O-CG 3.34Å; E219-R223 PolarHBondContact O-N 2.85Å; E219-R223 IonicContact OE1-CZ 3.33Å; E219-R223 IonicContact OE1-NE 3.77Å; E219-R223 PolarHBondContact OE1-NE 3.05Å; E219-R223 IonicContact OE1-NH2 3.47Å; E219-R223 PolarHBondContact OE1-NH2 2.59Å; E219-R223 VanDerWaalsContact OE1-NH2 3.09Å
220	A	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-44.6	176.8	0	0	0	0	0	112.3	L216 S217 K218 R223 F224 V253	L216-A220 HydrophobicContact CB-CB 4.09Å; L216-A220 HydrophobicContact CG-CB 4.21Å; S217-A220 PolarHBondContact O-N 3.2Å; S217-A220 VanDerWaalsContact O-N 3.15Å; S217-A220 WeakPolarHBondContact OG-CB 3.18Å; S217-A220 PolarHBondContact OG-N 2.7Å; K218-A220 PolarHBondContact O-N 2.98Å; A220-R223 PolarHBondContact O-N 2.72Å; A220-F224 WeakPolarHBondContact O-CB 3.34Å; A220-F224 PolarHBondContact O-N 3.36Å; A220-V253 HydrophobicContact CB-CG1 3.75Å; A220-V253 HydrophobicContact CB-CG2 3.97Å
221	L	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.7	-46.7	176.3	175.9	59.3	0	0	0	111.6	F152 V155 Y156 F160 F166 S217 K218 R223 F224 V225	F152-L221 HydrophobicContact CB-CD1 3.77Å; F152-L221 HydrophobicContact CD1-CD1 3.44Å; F152-L221 VanDerWaalsContact CD1-CD1 3.44Å; F152-L221 HydrophobicContact CE1-CD1 4.28Å; F152-L221 HydrophobicContact CG-CD1 3.88Å; V155-L221 HydrophobicContact CG1-CD2 3.88Å; Y156-L221 HydrophobicContact CD2-CG 4.21Å; F160-L221 HydrophobicContact CD2-CD2 4.04Å; F160-L221 HydrophobicContact CD2-CG 4.49Å; F166-L221 HydrophobicContact CB-CD2 4.33Å; F166-L221 HydrophobicContact CD1-CD2 3.66Å; F166-L221 HydrophobicContact CD2-CB 3.96Å; F166-L221 HydrophobicContact CD2-CD2 3.53Å; F166-L221 HydrophobicContact CD2-CG 4.37Å; F166-L221 HydrophobicContact CE1-CD2 3.73Å; F166-L221 HydrophobicContact CE2-CB 4.33Å; F166-L221 HydrophobicContact CE2-CD2 3.65Å; F166-L221 HydrophobicContact CG-CD2 3.54Å; F166-L221 HydrophobicContact CZ-CD2 3.73Å; S217-L221 PolarHBondContact O-N 2.97Å; K218-L221 PolarHBondContact O-N 3.23Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.38Å; L221-F224 WeakPolarHBondContact O-CB 3.48Å; L221-F224 PolarHBondContact O-N 3.48Å; L221-V225 HydrophobicContact CD1-CG2 4.06Å; L221-V225 PolarHBondContact O-N 2.8Å
222	K	98.9	Very high	98.3	Very high	89 Å²	89	37.2 Å²	37.2	39%	0.387	18%	0.18	S	C	.	.	H	α-helix	trans	-57.8	-45.8	178.3	179.2	-179.2	170.8	-167.4	0	112.1	Y156 F160 K218 E219 T226	Y156-K222 HydrophobicContact CE2-CB 3.91Å; Y156-K222 HydrophobicContact CE2-CG 4Å; F160-K222 HydrophobicContact CE2-CB 3.92Å; F160-K222 HydrophobicContact CZ-CB 3.84Å; F160-K222 HydrophobicContact CZ-CD 4.22Å; F160-K222 HydrophobicContact CZ-CG 4.38Å; K218-K222 PolarHBondContact O-N 3.48Å; K218-K222 VanDerWaalsContact O-N 3.15Å; E219-K222 PolarHBondContact O-N 2.75Å; E219-K222 IonicContact OE2-NZ 2.88Å; K222-T226 VanDerWaalsContact O-CB 3.29Å; K222-T226 WeakPolarHBondContact O-CB 3.18Å; K222-T226 PolarHBondContact O-N 2.91Å; K222-T226 PolarHBondContact O-OG1 3.44Å
223	R	98.9	Very high	98.3	Very high	79 Å²	79	37.6 Å²	37.6	30%	0.298	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-43.6	176.6	-72.6	-177.6	-176.1	-163	6.1	111.8	P192 E219 A220 L221 T226 A227 I251 N252 V253	P192-R223 VanDerWaalsContact CB-CZ 3.49Å; E219-R223 WeakPolarHBondContact O-CG 3.34Å; E219-R223 PolarHBondContact O-N 2.85Å; E219-R223 IonicContact OE1-CZ 3.33Å; E219-R223 IonicContact OE1-NE 3.77Å; E219-R223 PolarHBondContact OE1-NE 3.05Å; E219-R223 IonicContact OE1-NH2 3.47Å; E219-R223 PolarHBondContact OE1-NH2 2.59Å; E219-R223 VanDerWaalsContact OE1-NH2 3.09Å; A220-R223 PolarHBondContact O-N 2.72Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.38Å; R223-T226 PolarHBondContact O-N 3.26Å; R223-A227 VanDerWaalsContact O-CB 3.29Å; R223-A227 WeakPolarHBondContact O-CB 3.22Å; R223-A227 PolarHBondContact O-N 3.38Å; R223-I251 HydrophobicContact CB-CD1 3.93Å; R223-I251 HydrophobicContact CB-CG1 4.35Å; R223-N252 PolarHBondContact NH1-O 2.62Å; R223-N252 VanDerWaalsContact NH1-O 3.15Å; R223-V253 HydrophobicContact CB-CG2 4.32Å
224	F	98.8	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.2	-54.1	179.1	179.6	-96.8	0	0	0	110.8	I149 F152 A220 L221 T226 A227 F228 L244 C247 M248 I251	I149-F224 HydrophobicContact CG1-CZ 4.18Å; F152-F224 HydrophobicContact CB-CD1 3.99Å; F152-F224 HydrophobicContact CB-CE1 3.87Å; F152-F224 HydrophobicContact CD2-CD1 4.29Å; F152-F224 AromaticContact CD2-CE1 3.92Å; F152-F224 HydrophobicContact CD2-CE1 3.92Å; F152-F224 HydrophobicContact CD2-CZ 4.43Å; F152-F224 HydrophobicContact CG-CD1 4.38Å; F152-F224 HydrophobicContact CG-CE1 4.28Å; A220-F224 WeakPolarHBondContact O-CB 3.34Å; A220-F224 PolarHBondContact O-N 3.36Å; L221-F224 WeakPolarHBondContact O-CB 3.48Å; L221-F224 PolarHBondContact O-N 3.48Å; F224-T226 VanDerWaalsContact C-N 3.34Å; F224-T226 PolarHBondContact O-N 2.8Å; F224-A227 WeakPolarHBondContact O-CB 3.45Å; F224-A227 PolarHBondContact O-N 2.94Å; F224-A227 VanDerWaalsContact O-N 3.13Å; F224-F228 HydrophobicContact CD1-CD2 4.44Å; F224-F228 HydrophobicContact CD2-CE2 4.07Å; F224-F228 HydrophobicContact CE1-CD2 4.11Å; F224-F228 AromaticContact CE1-CE2 3.94Å; F224-F228 HydrophobicContact CE1-CE2 3.94Å; F224-F228 HydrophobicContact CE2-CD2 4.21Å; F224-F228 AromaticContact CE2-CE2 3.44Å; F224-F228 HydrophobicContact CE2-CE2 3.44Å; F224-F228 VanDerWaalsContact CE2-CE2 3.44Å; F224-F228 HydrophobicContact CE2-CZ 4.31Å; F224-F228 AromaticContact CZ-CD2 3.99Å; F224-F228 HydrophobicContact CZ-CD2 3.99Å; F224-F228 AromaticContact CZ-CE2 3.36Å; F224-F228 HydrophobicContact CZ-CE2 3.36Å; F224-F228 HydrophobicContact CZ-CZ 4.08Å; F224-F228 WeakPolarHBondContact O-CD2 3.21Å; F224-F228 PolarHBondContact O-N 3.15Å; F224-L244 HydrophobicContact CD2-CD1 4.2Å; F224-L244 HydrophobicContact CE2-CD1 3.56Å; F224-L244 HydrophobicContact CZ-CD1 3.87Å; F224-C247 HydrophobicContact CD2-CB 4.48Å; F224-C247 HydrophobicContact CE2-CB 4.31Å; F224-M248 HydrophobicContact CB-CE 4.19Å; F224-M248 HydrophobicContact CD2-CE 3.57Å; F224-M248 HydrophobicContact CE2-CE 4.25Å; F224-M248 HydrophobicContact CG-CE 4.1Å; F224-I251 HydrophobicContact CB-CD1 4.19Å
225	V	98.6	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-40.9	-179.9	173	0	0	0	0	111.9	Q153 Y156 L221 A227 F228 K229	Q153-V225 HydrophobicContact CG-CG1 4.4Å; Q153-V225 HydrophobicContact CG-CG2 4.41Å; Y156-V225 HydrophobicContact CD1-CB 4.39Å; Y156-V225 HydrophobicContact CD1-CG1 3.84Å; Y156-V225 HydrophobicContact CD2-CB 4.28Å; Y156-V225 HydrophobicContact CD2-CG2 4.29Å; Y156-V225 HydrophobicContact CE1-CG1 4.31Å; Y156-V225 HydrophobicContact CG-CB 4.08Å; Y156-V225 HydrophobicContact CG-CG1 4Å; Y156-V225 HydrophobicContact CG-CG2 3.97Å; L221-V225 HydrophobicContact CD1-CG2 4.06Å; L221-V225 PolarHBondContact O-N 2.8Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.48Å; V225-F228 PolarHBondContact O-N 3.2Å; V225-K229 HydrophobicContact CG1-CD 4.19Å; V225-K229 WeakPolarHBondContact O-CG 3.21Å; V225-K229 PolarHBondContact O-N 3.46Å; V225-K229 VanDerWaalsContact O-N 3.08Å
226	T	98.6	Very high	97.2	Very high	62 Å²	62	46.9 Å²	46.9	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-37.8	175.9	-57.8	0	0	0	0	111.9	K222 R223 F224 F228 K229 T230	K222-T226 VanDerWaalsContact O-CB 3.29Å; K222-T226 WeakPolarHBondContact O-CB 3.18Å; K222-T226 PolarHBondContact O-N 2.91Å; K222-T226 PolarHBondContact O-OG1 3.44Å; R223-T226 PolarHBondContact O-N 3.26Å; F224-T226 VanDerWaalsContact C-N 3.34Å; F224-T226 PolarHBondContact O-N 2.8Å; T226-F228 VanDerWaalsContact C-N 3.33Å; T226-F228 PolarHBondContact O-N 3.38Å; T226-K229 PolarHBondContact O-N 2.94Å; T226-T230 HydrophobicContact CG2-CG2 4.34Å; T226-T230 WeakPolarHBondContact O-CB 3.22Å; T226-T230 WeakPolarHBondContact O-CG2 3.28Å; T226-T230 PolarHBondContact O-N 2.75Å; T226-T230 PolarHBondContact O-OG1 3.43Å
227	A	98.5	Very high	96.9	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-33.8	180	0	0	0	0	0	112.8	R223 F224 V225 T230 N231 K232 C233 I251	R223-A227 VanDerWaalsContact O-CB 3.29Å; R223-A227 WeakPolarHBondContact O-CB 3.22Å; R223-A227 PolarHBondContact O-N 3.38Å; F224-A227 WeakPolarHBondContact O-CB 3.45Å; F224-A227 PolarHBondContact O-N 2.94Å; F224-A227 VanDerWaalsContact O-N 3.13Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.48Å; A227-T230 WeakPolarHBondContact CA-OG1 3.48Å; A227-T230 PolarHBondContact O-OG1 3.43Å; A227-N231 CarbonylContact O-C 3.51Å; A227-N231 PolarHBondContact O-N 2.85Å; A227-N231 VanDerWaalsContact O-N 3.16Å; A227-K232 HydrophobicContact CB-CB 4.14Å; A227-K232 PolarHBondContact O-N 2.68Å; A227-C233 HydrophobicContact CB-CB 4.1Å; A227-C233 PolarHBondContact O-N 3.48Å; A227-C233 VanDerWaalsContact O-N 3.08Å; A227-I251 HydrophobicContact CB-CG2 3.47Å; A227-I251 VanDerWaalsContact CB-CG2 3.47Å
228	F	97.8	Very high	96.3	Very high	26 Å²	26	51.2 Å²	51.2	11%	0.114	27%	0.272	C	S	.	.	H	α-helix	trans	-71.7	-41.5	171	-82.5	-91.2	0	0	0	112.1	Y145 I149 F224 V225 T226 T230 N231 C233	Y145-F228 HydrophobicContact CE1-CZ 4.43Å; Y145-F228 WeakPolarHBondContact OH-CZ 3.42Å; I149-F228 HydrophobicContact CB-CE1 4.5Å; I149-F228 HydrophobicContact CD1-CD1 4.36Å; I149-F228 HydrophobicContact CD1-CE1 3.4Å; I149-F228 HydrophobicContact CD1-CZ 3.6Å; I149-F228 HydrophobicContact CG1-CD1 4.47Å; I149-F228 HydrophobicContact CG1-CE1 3.7Å; I149-F228 HydrophobicContact CG1-CE2 4.22Å; I149-F228 HydrophobicContact CG1-CZ 3.56Å; I149-F228 HydrophobicContact CG2-CD1 3.85Å; I149-F228 HydrophobicContact CG2-CE1 3.93Å; I149-F228 HydrophobicContact CG2-CG 4.18Å; I149-F228 HydrophobicContact CG2-CZ 4.34Å; F224-F228 HydrophobicContact CD1-CD2 4.44Å; F224-F228 HydrophobicContact CD2-CE2 4.07Å; F224-F228 HydrophobicContact CE1-CD2 4.11Å; F224-F228 AromaticContact CE1-CE2 3.94Å; F224-F228 HydrophobicContact CE1-CE2 3.94Å; F224-F228 HydrophobicContact CE2-CD2 4.21Å; F224-F228 AromaticContact CE2-CE2 3.44Å; F224-F228 HydrophobicContact CE2-CE2 3.44Å; F224-F228 VanDerWaalsContact CE2-CE2 3.44Å; F224-F228 HydrophobicContact CE2-CZ 4.31Å; F224-F228 AromaticContact CZ-CD2 3.99Å; F224-F228 HydrophobicContact CZ-CD2 3.99Å; F224-F228 AromaticContact CZ-CE2 3.36Å; F224-F228 HydrophobicContact CZ-CE2 3.36Å; F224-F228 HydrophobicContact CZ-CZ 4.08Å; F224-F228 WeakPolarHBondContact O-CD2 3.21Å; F224-F228 PolarHBondContact O-N 3.15Å; V225-F228 PolarHBondContact O-N 3.2Å; T226-F228 VanDerWaalsContact C-N 3.33Å; T226-F228 PolarHBondContact O-N 3.38Å; F228-T230 PolarHBondContact O-N 2.98Å; F228-N231 PolarHBondContact O-N 3.37Å; F228-C233 HydrophobicContact CD2-CB 3.91Å; F228-C233 HydrophobicContact CE1-CB 4.46Å; F228-C233 HydrophobicContact CE2-CB 3.57Å; F228-C233 HydrophobicContact CG-CB 4.47Å; F228-C233 HydrophobicContact CZ-CB 3.89Å
229	K	96.6	Very high	96.1	Very high	124 Å²	124	53.6 Å²	53.6	54%	0.539	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-29.7	175.5	-71.2	177.5	179.2	175.1	0	112.6	D157 V225 T226	D157-K229 IonicContact OD1-NZ 3.83Å; D157-K229 PolarHBondContact OD1-NZ 3.01Å; V225-K229 HydrophobicContact CG1-CD 4.19Å; V225-K229 WeakPolarHBondContact O-CG 3.21Å; V225-K229 PolarHBondContact O-N 3.46Å; V225-K229 VanDerWaalsContact O-N 3.08Å; T226-K229 PolarHBondContact O-N 2.94Å
230	T	97.3	Very high	96	Very high	86 Å²	86	52.7 Å²	52.7	53%	0.528	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	6.9	-179.2	54.7	0	0	0	0	114	T226 A227 F228 K232	T226-T230 HydrophobicContact CG2-CG2 4.34Å; T226-T230 WeakPolarHBondContact O-CB 3.22Å; T226-T230 WeakPolarHBondContact O-CG2 3.28Å; T226-T230 PolarHBondContact O-N 2.75Å; T226-T230 PolarHBondContact O-OG1 3.43Å; A227-T230 WeakPolarHBondContact CA-OG1 3.48Å; A227-T230 PolarHBondContact O-OG1 3.43Å; F228-T230 PolarHBondContact O-N 2.98Å; T230-K232 PolarHBondContact O-N 2.86Å; T230-K232 VanDerWaalsContact O-N 3.13Å
231	N	96.4	Very high	95.9	Very high	144 Å²	144	54 Å²	54	77%	0.77	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	17.6	-175.8	-58.1	-54.9	0	0	0	115.4	A227 F228 C233	A227-N231 CarbonylContact O-C 3.51Å; A227-N231 PolarHBondContact O-N 2.85Å; A227-N231 VanDerWaalsContact O-N 3.16Å; F228-N231 PolarHBondContact O-N 3.37Å; N231-C233 VanDerWaalsContact C-N 3.32Å
232	K	97	Very high	95.9	Very high	109 Å²	109	54.5 Å²	54.5	47%	0.474	29%	0.291	S	S	.	.	S	Bend	trans	-71.1	-31	172.7	-174.2	175	179.5	-171.4	0	111.7	A227 T230 I250 I251	A227-K232 HydrophobicContact CB-CB 4.14Å; A227-K232 PolarHBondContact O-N 2.68Å; T230-K232 PolarHBondContact O-N 2.86Å; T230-K232 VanDerWaalsContact O-N 3.13Å; K232-I250 HydrophobicContact CD-CG2 4.27Å; K232-I250 WeakPolarHBondContact CE-O 3.49Å; K232-I250 HydrophobicContact CG-CG2 3.78Å; K232-I250 PolarHBondContact NZ-O 3.35Å; K232-I251 HydrophobicContact CD-CG2 4.25Å
233	C	97.4	Very high	95.8	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.047	27%	0.272	C	S	.	.	S	Bend	trans	-118.1	151.4	166.2	-67	0	0	0	0	110.1	A227 F228 N231 C247	A227-C233 HydrophobicContact CB-CB 4.1Å; A227-C233 PolarHBondContact O-N 3.48Å; A227-C233 VanDerWaalsContact O-N 3.08Å; F228-C233 HydrophobicContact CD2-CB 3.91Å; F228-C233 HydrophobicContact CE1-CB 4.46Å; F228-C233 HydrophobicContact CE2-CB 3.57Å; F228-C233 HydrophobicContact CG-CB 4.47Å; F228-C233 HydrophobicContact CZ-CB 3.89Å; N231-C233 VanDerWaalsContact C-N 3.32Å; C233-C247 HydrophobicContact CB-CB 3.94Å; C233-C247 WeakPolarHBondContact CB-SG 3.46Å; C233-C247 WeakPolarHBondContact SG-CA 3.39Å; C233-C247 WeakPolarHBondContact SG-CB 3.29Å; C233-C247 CovalentContact SG-SG 2.04Å; C233-C247 PolarHBondContact SG-SG 3.19Å
234	S	95.1	Very high	95.8	Very high	76 Å²	76	46.6 Å²	46.6	53%	0.531	26%	0.258	S	S	.	.			trans	-143.8	175.2	175.8	65.6	0	0	0	0	109.8	S236	S234-S236 VanDerWaalsContact C-N 3.33Å; S234-S236 PolarHBondContact O-N 2.91Å
235	H	90.7	Very high	95.8	Very high	54 Å²	54	46.6 Å²	46.6	25%	0.25	26%	0.258	C	S	.	.			trans	-68	89.3	172.8	-171.3	-66.1	0	0	0	110.7	Y145 W146 I149 S237	Y145-H235 HydrophobicContact CD1-CB 4.44Å; Y145-H235 AromaticContact CD1-CD2 3.72Å; Y145-H235 AromaticContact CD1-CG 3.93Å; Y145-H235 AromaticContact CD1-NE2 3.98Å; W146-H235 AromaticContact CD1-CD2 3.18Å; W146-H235 AromaticContact CD1-NE2 3.27Å; W146-H235 VanDerWaalsContact CD1-NE2 3.27Å; W146-H235 AromaticContact CD2-CD2 3.62Å; W146-H235 AromaticContact CE2-CD2 3.49Å; W146-H235 VanDerWaalsContact CE2-CD2 3.49Å; W146-H235 AromaticContact CE2-CG 3.85Å; W146-H235 AromaticContact CG-CD2 3.43Å; W146-H235 VanDerWaalsContact CG-CD2 3.43Å; W146-H235 AromaticContact CG-NE2 3.82Å; W146-H235 HydrophobicContact CH2-CB 4.45Å; W146-H235 HydrophobicContact CZ2-CB 3.9Å; W146-H235 AromaticContact NE1-CD2 3.2Å; W146-H235 PolarHBondContact NE1-CD2 3.34Å; W146-H235 AromaticContact NE1-CG 3.65Å; W146-H235 AromaticContact NE1-NE2 3.6Å; I149-H235 HydrophobicContact CD1-CB 4.38Å; H235-S237 PolarHBondContact CE1-O 3.45Å
236	S	87.8	Confident	95.8	Very high	65 Å²	65	50.3 Å²	50.3	46%	0.455	28%	0.275	S	S	.	.			trans	-93.4	-14.3	-168	64.1	0	0	0	0	115.3	S234	S234-S236 VanDerWaalsContact C-N 3.33Å; S234-S236 PolarHBondContact O-N 2.91Å
237	S	91.4	Very high	95.8	Very high	29 Å²	29	47.5 Å²	47.5	20%	0.203	26%	0.258	C	S	.	.			trans	-159.5	158.2	178.3	-173.2	0	0	0	0	110.8	H235 I239	H235-S237 PolarHBondContact CE1-O 3.45Å; S237-I239 VanDerWaalsContact C-N 3.25Å; S237-I239 PolarHBondContact OG-N 2.98Å; S237-I239 VanDerWaalsContact OG-N 3.14Å
238	S	88	Confident	95.8	Very high	63 Å²	63	47.3 Å²	47.3	44%	0.441	26%	0.256	S	S	.	.	S	Bend	trans	-77.2	-10.7	166.5	51.5	0	0	0	0	113.2	E240	S238-E240 PolarHBondContact O-N 2.85Å
239	I	94.3	Very high	95.8	Very high	78 Å²	78	49.3 Å²	49.3	40%	0.4	27%	0.266	S	S	.	.			trans	-89.9	101.9	175.2	-54.9	176	0	0	0	107.7	S237 D241 L242 A243	S237-I239 VanDerWaalsContact C-N 3.25Å; S237-I239 PolarHBondContact OG-N 2.98Å; S237-I239 VanDerWaalsContact OG-N 3.14Å; I239-D241 VanDerWaalsContact CG2-OD1 3.27Å; I239-D241 WeakPolarHBondContact CG2-OD1 3.34Å; I239-D241 PolarHBondContact O-N 2.81Å; I239-L242 HydrophobicContact CB-CB 4.1Å; I239-L242 HydrophobicContact CD1-CD2 4.37Å; I239-L242 HydrophobicContact CG2-CB 3.7Å; I239-A243 VanDerWaalsContact O-CB 3.3Å; I239-A243 WeakPolarHBondContact O-CB 3.49Å; I239-A243 PolarHBondContact O-N 2.95Å
240	E	96.9	Very high	95.9	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-51.5	-170.2	-178.1	-93.1	-167	0	0	114	L144 Y145 T148 Y214 S238 A243 L244	L144-E240 HydrophobicContact CB-CB 3.9Å; L144-E240 HydrophobicContact CB-CG 4.31Å; Y145-E240 HydrophobicContact CD2-CG 4.19Å; T148-E240 WeakPolarHBondContact CB-OE1 3.4Å; T148-E240 HydrophobicContact CG2-CG 4.33Å; T148-E240 VanDerWaalsContact CG2-OE1 3.3Å; T148-E240 WeakPolarHBondContact CG2-OE1 3.13Å; T148-E240 VanDerWaalsContact OG1-CG 3.25Å; T148-E240 WeakPolarHBondContact OG1-CG 3.39Å; T148-E240 PolarHBondContact OG1-OE1 2.82Å; Y214-E240 PolarHBondContact OH-OE1 3.5Å; S238-E240 PolarHBondContact O-N 2.85Å; E240-A243 PolarHBondContact O-N 3.36Å; E240-L244 WeakPolarHBondContact O-CB 3.16Å; E240-L244 PolarHBondContact O-N 3.01Å
241	D	97.2	Very high	96	Very high	26 Å²	26	43.8 Å²	43.8	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-72.5	-39.1	-171.7	52.8	3	0	0	0	112	Y207 M208 G210 I239 G245	Y207-D241 HydrophobicContact CD2-CB 4.21Å; M208-D241 VanDerWaalsContact O-CB 3.27Å; M208-D241 WeakPolarHBondContact O-CB 3.05Å; G210-D241 PolarHBondContact N-OD2 3.16Å; I239-D241 VanDerWaalsContact CG2-OD1 3.27Å; I239-D241 WeakPolarHBondContact CG2-OD1 3.34Å; I239-D241 PolarHBondContact O-N 2.81Å; D241-G245 PolarHBondContact O-N 3.41Å
242	L	97.3	Very high	96.1	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-45.1	171.2	176.2	57.6	0	0	0	111.5	Y202 V203 Y207 I239 G245 K246	Y202-L242 HydrophobicContact CD2-CD1 4.25Å; Y202-L242 HydrophobicContact CD2-CD2 4.17Å; Y202-L242 HydrophobicContact CG-CD1 4.26Å; Y202-L242 HydrophobicContact CG-CD2 4.32Å; V203-L242 HydrophobicContact CG2-CD1 3.59Å; Y207-L242 HydrophobicContact CD1-CD1 4.35Å; Y207-L242 HydrophobicContact CD2-CB 4.46Å; Y207-L242 HydrophobicContact CE1-CD1 4.41Å; Y207-L242 HydrophobicContact CE2-CB 4.33Å; I239-L242 HydrophobicContact CB-CB 4.1Å; I239-L242 HydrophobicContact CD1-CD2 4.37Å; I239-L242 HydrophobicContact CG2-CB 3.7Å; L242-G245 PolarHBondContact O-N 2.89Å; L242-K246 HydrophobicContact CD1-CG 4.4Å; L242-K246 WeakPolarHBondContact O-CG 3.48Å; L242-K246 PolarHBondContact O-N 2.77Å
243	A	97.9	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-42.5	-179.2	0	0	0	0	0	111.6	Y145 I239 E240 K246 C247	Y145-A243 HydrophobicContact CD1-CB 3.4Å; Y145-A243 VanDerWaalsContact CD1-CB 3.4Å; Y145-A243 HydrophobicContact CD2-CB 4Å; Y145-A243 HydrophobicContact CE1-CB 3.26Å; Y145-A243 HydrophobicContact CE2-CB 3.88Å; Y145-A243 HydrophobicContact CG-CB 3.78Å; Y145-A243 PolarHBondContact OH-O 3.14Å; I239-A243 VanDerWaalsContact O-CB 3.3Å; I239-A243 WeakPolarHBondContact O-CB 3.49Å; I239-A243 PolarHBondContact O-N 2.95Å; E240-A243 PolarHBondContact O-N 3.36Å; A243-K246 PolarHBondContact O-N 3.05Å; A243-C247 PolarHBondContact O-N 3.27Å; A243-C247 VanDerWaalsContact O-N 3.09Å
244	L	98.5	Very high	96.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-51.6	172.4	-174.5	96.1	0	0	0	110.7	Y145 T148 F152 Y214 F224 E240 K246 C247 M248	Y145-L244 HydrophobicContact CE2-CB 4.2Å; T148-L244 HydrophobicContact CG2-CD1 4.08Å; F152-L244 HydrophobicContact CD2-CD1 4.42Å; F152-L244 HydrophobicContact CE2-CD1 4Å; Y214-L244 HydrophobicContact CD1-CD2 4.35Å; Y214-L244 HydrophobicContact CD2-CD2 3.87Å; Y214-L244 HydrophobicContact CE1-CD2 3.89Å; Y214-L244 HydrophobicContact CE2-CD1 4.43Å; Y214-L244 HydrophobicContact CE2-CD2 3.34Å; Y214-L244 HydrophobicContact CG-CD2 4.36Å; F224-L244 HydrophobicContact CD2-CD1 4.2Å; F224-L244 HydrophobicContact CE2-CD1 3.56Å; F224-L244 HydrophobicContact CZ-CD1 3.87Å; E240-L244 WeakPolarHBondContact O-CB 3.16Å; E240-L244 PolarHBondContact O-N 3.01Å; L244-K246 VanDerWaalsContact C-N 3.32Å; L244-K246 PolarHBondContact O-N 2.81Å; L244-C247 CarbonylContact O-C 3.55Å; L244-C247 WeakPolarHBondContact O-CA 3.06Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 2.87Å; L244-M248 HydrophobicContact CD1-CE 3.76Å; L244-M248 HydrophobicContact CD2-CE 4.2Å; L244-M248 HydrophobicContact CG-CE 3.79Å; L244-M248 HydrophobicContact CG-CG 4.47Å; L244-M248 WeakPolarHBondContact O-CG 3.47Å; L244-M248 PolarHBondContact O-N 3.31Å
245	G	98.3	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-39.4	-179.2	0	0	0	0	0	113.4	D241 L242 M248 E249	D241-G245 PolarHBondContact O-N 3.41Å; L242-G245 PolarHBondContact O-N 2.89Å; G245-M248 PolarHBondContact O-N 2.93Å; G245-E249 PolarHBondContact O-N 2.62Å
246	K	98.4	Very high	96.7	Very high	78 Å²	78	37.3 Å²	37.3	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-45.1	171	-76	178.2	178.7	179.6	0	111.8	V203 L242 A243 L244 E249 I250	V203-K246 HydrophobicContact CG2-CG 3.76Å; L242-K246 HydrophobicContact CD1-CG 4.4Å; L242-K246 WeakPolarHBondContact O-CG 3.48Å; L242-K246 PolarHBondContact O-N 2.77Å; A243-K246 PolarHBondContact O-N 3.05Å; L244-K246 VanDerWaalsContact C-N 3.32Å; L244-K246 PolarHBondContact O-N 2.81Å; K246-E249 PolarHBondContact O-N 3.27Å; K246-I250 WeakPolarHBondContact O-CD1 3.47Å; K246-I250 VanDerWaalsContact O-CG1 3.31Å; K246-I250 WeakPolarHBondContact O-CG1 3.01Å; K246-I250 PolarHBondContact O-N 3.19Å
247	C	98.6	Very high	97.2	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-43.4	176.5	-179.2	0	0	0	0	111.3	F224 C233 A243 L244 E249 I250 I251	F224-C247 HydrophobicContact CD2-CB 4.48Å; F224-C247 HydrophobicContact CE2-CB 4.31Å; C233-C247 HydrophobicContact CB-CB 3.94Å; C233-C247 WeakPolarHBondContact CB-SG 3.46Å; C233-C247 WeakPolarHBondContact SG-CA 3.39Å; C233-C247 WeakPolarHBondContact SG-CB 3.29Å; C233-C247 CovalentContact SG-SG 2.04Å; C233-C247 PolarHBondContact SG-SG 3.19Å; A243-C247 PolarHBondContact O-N 3.27Å; A243-C247 VanDerWaalsContact O-N 3.09Å; L244-C247 CarbonylContact O-C 3.55Å; L244-C247 WeakPolarHBondContact O-CA 3.06Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 2.87Å; C247-E249 VanDerWaalsContact C-N 3.3Å; C247-E249 PolarHBondContact O-N 3.28Å; C247-I250 PolarHBondContact O-N 3.09Å; C247-I250 VanDerWaalsContact O-N 3.14Å; C247-I251 VanDerWaalsContact O-CG1 3.27Å; C247-I251 WeakPolarHBondContact O-CG1 3.49Å; C247-I251 WeakPolarHBondContact O-CG2 3.3Å; C247-I251 PolarHBondContact O-N 3.42Å
248	M	98.7	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.6	-42.8	176.4	-64.6	-54.4	163.7	0	0	111.9	Y194 L216 F224 L244 G245 I251 N252 V253	Y194-M248 HydrophobicContact CD1-CB 4.31Å; Y194-M248 HydrophobicContact CD1-CG 4.2Å; Y194-M248 HydrophobicContact CD2-CG 4.23Å; Y194-M248 HydrophobicContact CE1-CB 3.69Å; Y194-M248 HydrophobicContact CE1-CG 3.93Å; Y194-M248 HydrophobicContact CE2-CB 4.4Å; Y194-M248 HydrophobicContact CE2-CG 3.93Å; Y194-M248 HydrophobicContact CG-CG 4.37Å; L216-M248 HydrophobicContact CD1-CE 4.33Å; L216-M248 HydrophobicContact CD2-CE 3.56Å; L216-M248 HydrophobicContact CG-CE 4.04Å; F224-M248 HydrophobicContact CB-CE 4.19Å; F224-M248 HydrophobicContact CD2-CE 3.57Å; F224-M248 HydrophobicContact CE2-CE 4.25Å; F224-M248 HydrophobicContact CG-CE 4.1Å; L244-M248 HydrophobicContact CD1-CE 3.76Å; L244-M248 HydrophobicContact CD2-CE 4.2Å; L244-M248 HydrophobicContact CG-CE 3.79Å; L244-M248 HydrophobicContact CG-CG 4.47Å; L244-M248 WeakPolarHBondContact O-CG 3.47Å; L244-M248 PolarHBondContact O-N 3.31Å; G245-M248 PolarHBondContact O-N 2.93Å; M248-I251 WeakPolarHBondContact O-CG1 3.26Å; M248-I251 PolarHBondContact O-N 2.9Å; M248-I251 HydrophobicContact SD-CD1 3.99Å; M248-N252 PolarHBondContact O-N 3.26Å; M248-V253 HydrophobicContact CB-CB 4.13Å; M248-V253 HydrophobicContact CB-CG1 4.22Å; M248-V253 HydrophobicContact CG-CG1 4.3Å; M248-V253 PolarHBondContact O-N 3.29Å; M248-V253 HydrophobicContact SD-CB 3.9Å; M248-V253 HydrophobicContact SD-CG1 3.68Å; M248-V253 HydrophobicContact SD-CG2 4.29Å
249	E	98.4	Very high	97.9	Very high	67 Å²	67	35.6 Å²	35.6	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-63.4	-46	175.2	-171.4	168.4	-104.6	0	0	112.3	V203 K204 Q205 G245 K246 C247 I251 N252	V203-E249 HydrophobicContact CG1-CB 4.1Å; V203-E249 HydrophobicContact CG1-CG 4.5Å; K204-E249 WeakPolarHBondContact CA-OE1 3.35Å; K204-E249 VanDerWaalsContact CB-OE1 3.28Å; K204-E249 WeakPolarHBondContact CB-OE1 3.15Å; K204-E249 PolarHBondContact N-OE1 2.93Å; K204-E249 VanDerWaalsContact N-OE1 3.14Å; Q205-E249 HydrophobicContact CG-CB 4.24Å; Q205-E249 HydrophobicContact CG-CG 4.28Å; Q205-E249 WeakPolarHBondContact CG-OE1 3.47Å; Q205-E249 PolarHBondContact N-OE1 3.17Å; Q205-E249 VanDerWaalsContact NE2-N 3.19Å; G245-E249 PolarHBondContact O-N 2.62Å; K246-E249 PolarHBondContact O-N 3.27Å; C247-E249 VanDerWaalsContact C-N 3.3Å; C247-E249 PolarHBondContact O-N 3.28Å; E249-I251 VanDerWaalsContact C-N 3.25Å; E249-I251 PolarHBondContact O-N 2.96Å; E249-N252 PolarHBondContact O-N 2.73Å
250	I	98.3	Very high	97.9	Very high	86 Å²	86	32.3 Å²	32.3	44%	0.441	16%	0.158	S	C	.	.	H	α-helix	trans	-60.4	-34.5	178.8	-72.5	165.3	0	0	0	112.3	K232 K246 C247	K232-I250 HydrophobicContact CD-CG2 4.27Å; K232-I250 WeakPolarHBondContact CE-O 3.49Å; K232-I250 HydrophobicContact CG-CG2 3.78Å; K232-I250 PolarHBondContact NZ-O 3.35Å; K246-I250 WeakPolarHBondContact O-CD1 3.47Å; K246-I250 VanDerWaalsContact O-CG1 3.31Å; K246-I250 WeakPolarHBondContact O-CG1 3.01Å; K246-I250 PolarHBondContact O-N 3.19Å; C247-I250 PolarHBondContact O-N 3.09Å; C247-I250 VanDerWaalsContact O-N 3.14Å
251	I	98.6	Very high	97.6	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.046	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11.1	-176.5	72.5	-173.2	0	0	0	113.2	R223 F224 A227 K232 C247 M248 E249 V253	R223-I251 HydrophobicContact CB-CD1 3.93Å; R223-I251 HydrophobicContact CB-CG1 4.35Å; F224-I251 HydrophobicContact CB-CD1 4.19Å; A227-I251 HydrophobicContact CB-CG2 3.47Å; A227-I251 VanDerWaalsContact CB-CG2 3.47Å; K232-I251 HydrophobicContact CD-CG2 4.25Å; C247-I251 VanDerWaalsContact O-CG1 3.27Å; C247-I251 WeakPolarHBondContact O-CG1 3.49Å; C247-I251 WeakPolarHBondContact O-CG2 3.3Å; C247-I251 PolarHBondContact O-N 3.42Å; M248-I251 WeakPolarHBondContact O-CG1 3.26Å; M248-I251 PolarHBondContact O-N 2.9Å; M248-I251 HydrophobicContact SD-CD1 3.99Å; E249-I251 VanDerWaalsContact C-N 3.25Å; E249-I251 PolarHBondContact O-N 2.96Å; I251-V253 VanDerWaalsContact C-N 3.3Å; I251-V253 HydrophobicContact CD1-CG2 3.98Å; I251-V253 HydrophobicContact CG1-CB 4.14Å; I251-V253 HydrophobicContact CG1-CG2 3.76Å; I251-V253 PolarHBondContact O-N 3.39Å
252	N	98.6	Very high	97.3	Very high	120 Å²	120	37 Å²	37	64%	0.642	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	45.3	-179.4	-56	-49	0	0	0	112.3	R223 M248 E249	R223-N252 PolarHBondContact NH1-O 2.62Å; R223-N252 VanDerWaalsContact NH1-O 3.15Å; M248-N252 PolarHBondContact O-N 3.26Å; E249-N252 PolarHBondContact O-N 2.73Å
253	V	98.9	Very high	97.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.204	C	C	.	.			trans	-98.4	120.7	166.5	165.9	0	0	0	0	107.7	P192 Y194 Q205 A220 R223 M248 I251	P192-V253 HydrophobicContact CB-CG2 3.99Å; P192-V253 CarbonylContact O-C 3.59Å; P192-V253 WeakPolarHBondContact O-CA 3.39Å; Y194-V253 HydrophobicContact CD1-CG1 3.57Å; Y194-V253 HydrophobicContact CE1-CG1 4.21Å; Y194-V253 HydrophobicContact CG-CG1 4.27Å; Q205-V253 PolarHBondContact NE2-O 2.82Å; Q205-V253 PolarHBondContact OE1-O 2.69Å; A220-V253 HydrophobicContact CB-CG1 3.75Å; A220-V253 HydrophobicContact CB-CG2 3.97Å; R223-V253 HydrophobicContact CB-CG2 4.32Å; M248-V253 HydrophobicContact CB-CB 4.13Å; M248-V253 HydrophobicContact CB-CG1 4.22Å; M248-V253 HydrophobicContact CG-CG1 4.3Å; M248-V253 PolarHBondContact O-N 3.29Å; M248-V253 HydrophobicContact SD-CB 3.9Å; M248-V253 HydrophobicContact SD-CG1 3.68Å; M248-V253 HydrophobicContact SD-CG2 4.29Å; I251-V253 VanDerWaalsContact C-N 3.3Å; I251-V253 HydrophobicContact CD1-CG2 3.98Å; I251-V253 HydrophobicContact CG1-CB 4.14Å; I251-V253 HydrophobicContact CG1-CG2 3.76Å; I251-V253 PolarHBondContact O-N 3.39Å
254	E	98.7	Very high	96.9	Very high	128 Å²	128	40.2 Å²	40.2	60%	0.598	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.7	-174.2	-177.1	178.5	171.7	0	0	111	P192 V193 Y194 G256	P192-E254 PolarHBondContact O-N 3.29Å; V193-E254 WeakPolarHBondContact CA-O 3.5Å; V193-E254 WeakPolarHBondContact CG2-O 3.27Å; Y194-E254 WeakPolarHBondContact CD1-O 3.32Å; Y194-E254 PolarHBondContact N-O 3.04Å; E254-G256 PolarHBondContact O-N 3.39Å; E254-G256 VanDerWaalsContact O-N 3.1Å
255	A	98.6	Very high	96.9	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	107.2	162.1	0	0	0	0	0	108.1	Y194 R198 Q205 M208	Y194-A255 VanDerWaalsContact CE1-CA 3.42Å; Y194-A255 HydrophobicContact CE1-CB 3.82Å; R198-A255 PolarHBondContact NH1-O 3.16Å; R198-A255 PolarHBondContact NH2-O 3.25Å; Q205-A255 HydrophobicContact CG-CB 4.27Å; M208-A255 HydrophobicContact CE-CB 3.76Å
256	G	98.1	Very high	96.8	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	22%	0.215	C	C	.	.			trans	-81.4	148.5	-179.3	0	0	0	0	0	112.6	Y194 F195 R198 E254 S258	Y194-G256 PolarHBondContact O-N 3.12Å; F195-G256 VanDerWaalsContact CD1-C 3.5Å; F195-G256 VanDerWaalsContact CE1-CA 3.47Å; R198-G256 PolarHBondContact NH2-O 3.23Å; E254-G256 PolarHBondContact O-N 3.39Å; E254-G256 VanDerWaalsContact O-N 3.1Å; G256-S258 PolarHBondContact O-N 3.37Å
257	D	97.8	Very high	96.8	Very high	53 Å²	53	37 Å²	37	28%	0.283	20%	0.199	S	C	.	.			trans	-78	113	177.4	-164.7	-19.8	0	0	0	109.4	Y187 R259 Y293	Y187-D257 PolarHBondContact OH-O 3.36Å; D257-R259 VanDerWaalsContact OD1-CB 3.31Å; D257-R259 WeakPolarHBondContact OD1-CB 3.23Å; D257-R259 VanDerWaalsContact OD1-CG 3.32Å; D257-R259 WeakPolarHBondContact OD1-CG 3.45Å; D257-R259 IonicContact OD1-CZ 3.26Å; D257-R259 PolarHBondContact OD1-N 3.22Å; D257-R259 VanDerWaalsContact OD1-N 3.09Å; D257-R259 IonicContact OD1-NE 3.68Å; D257-R259 PolarHBondContact OD1-NE 3.4Å; D257-R259 IonicContact OD1-NH2 3.25Å; D257-R259 IonicContact OD2-CZ 2.76Å; D257-R259 IonicContact OD2-NE 2.81Å; D257-R259 PolarHBondContact OD2-NE 2.82Å; D257-R259 IonicContact OD2-NH2 2.91Å; D257-R259 PolarHBondContact OD2-NH2 3.2Å; D257-Y293 VanDerWaalsContact CG-OH 3.27Å; D257-Y293 PolarHBondContact OD2-OH 3.45Å
258	S	97.6	Very high	96.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.198	C	C	.	.			trans	-92.1	-4.2	-176.4	55.4	0	0	0	0	113.3	G196 G256 T266	G196-S258 PolarHBondContact O-OG 3.03Å; G256-S258 PolarHBondContact O-N 3.37Å; S258-T266 VanDerWaalsContact O-CG2 3.26Å; S258-T266 WeakPolarHBondContact O-CG2 3.37Å; S258-T266 PolarHBondContact O-OG1 3.06Å
259	R	96.9	Very high	96.7	Very high	66 Å²	66	37 Å²	37	25%	0.249	20%	0.199	C	C	.	.			trans	-67.4	156.9	-176.4	-62.8	177	-58.8	152.7	0.9	111.4	D257 G263 R264 Y293	D257-R259 VanDerWaalsContact OD1-CB 3.31Å; D257-R259 WeakPolarHBondContact OD1-CB 3.23Å; D257-R259 VanDerWaalsContact OD1-CG 3.32Å; D257-R259 WeakPolarHBondContact OD1-CG 3.45Å; D257-R259 IonicContact OD1-CZ 3.26Å; D257-R259 PolarHBondContact OD1-N 3.22Å; D257-R259 VanDerWaalsContact OD1-N 3.09Å; D257-R259 IonicContact OD1-NE 3.68Å; D257-R259 PolarHBondContact OD1-NE 3.4Å; D257-R259 IonicContact OD1-NH2 3.25Å; D257-R259 IonicContact OD2-CZ 2.76Å; D257-R259 IonicContact OD2-NE 2.81Å; D257-R259 PolarHBondContact OD2-NE 2.82Å; D257-R259 IonicContact OD2-NH2 2.91Å; D257-R259 PolarHBondContact OD2-NH2 3.2Å; R259-G263 WeakPolarHBondContact CD-O 3.32Å; R259-R264 CarbonylContact C-O 3.09Å; R259-R264 WeakPolarHBondContact CA-O 3.31Å; R259-R264 VanDerWaalsContact CB-O 3.23Å; R259-R264 WeakPolarHBondContact CB-O 3.16Å; R259-Y293 HydrophobicContact CG-CD2 4.3Å; R259-Y293 HydrophobicContact CG-CE2 4.4Å; R259-Y293 VanDerWaalsContact CZ-CE1 3.47Å
260	D	93.6	Very high	96.5	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	18%	0.184	C	C	.	.			trans	-71.1	179.6	177.7	74.9	7.4	0	0	0	112.7	W182 S262 G263 R264 T266 S303	W182-D260 HydrophobicContact CH2-CB 4.27Å; W182-D260 HydrophobicContact CZ3-CB 4.49Å; D260-S262 PolarHBondContact O-N 2.69Å; D260-S262 VanDerWaalsContact O-N 3.11Å; D260-S262 VanDerWaalsContact OD1-C 3.31Å; D260-S262 WeakPolarHBondContact OD1-CA 3.5Å; D260-S262 WeakPolarHBondContact OD1-CB 3.43Å; D260-S262 PolarHBondContact OD1-N 2.98Å; D260-G263 PolarHBondContact O-N 3.25Å; D260-G263 PolarHBondContact OD1-N 3.15Å; D260-R264 PolarHBondContact N-O 3.16Å; D260-R264 WeakPolarHBondContact OD1-CB 3.34Å; D260-R264 PolarHBondContact OD1-N 2.77Å; D260-R264 IonicContact OD1-NE 2.75Å; D260-R264 IonicContact OD2-CZ 3.34Å; D260-R264 VanDerWaalsContact OD2-CZ 3.25Å; D260-R264 IonicContact OD2-NE 2.81Å; D260-R264 PolarHBondContact OD2-NE 3.33Å; D260-R264 IonicContact OD2-NH2 2.74Å; D260-R264 PolarHBondContact OD2-NH2 2.87Å; D260-T266 HydrophobicContact CB-CG2 4.26Å; D260-S303 WeakPolarHBondContact CB-OG 3.4Å; D260-S303 VanDerWaalsContact CG-OG 3.24Å; D260-S303 VanDerWaalsContact OD2-CB 3.28Å; D260-S303 WeakPolarHBondContact OD2-CB 3.04Å; D260-S303 PolarHBondContact OD2-OG 3.37Å
261	T	91.1	Very high	96.4	Very high	55 Å²	55	29.9 Å²	29.9	34%	0.337	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.7	179.6	42.7	0	0	0	0	113.7	W182 Y336	W182-T261 HydrophobicContact CH2-CG2 4.3Å; W182-T261 HydrophobicContact CZ2-CG2 4.14Å; T261-Y336 PolarHBondContact OG1-OH 3.01Å
262	S	90.8	Very high	96.1	Very high	82 Å²	82	30 Å²	30	57%	0.573	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	7.4	175.2	-58.5	0	0	0	0	112.8	D260 R264	D260-S262 PolarHBondContact O-N 2.69Å; D260-S262 VanDerWaalsContact O-N 3.11Å; D260-S262 VanDerWaalsContact OD1-C 3.31Å; D260-S262 WeakPolarHBondContact OD1-CA 3.5Å; D260-S262 WeakPolarHBondContact OD1-CB 3.43Å; D260-S262 PolarHBondContact OD1-N 2.98Å; S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.18Å
263	G	93	Very high	95.8	Very high	32 Å²	32	28.5 Å²	28.5	33%	0.33	15%	0.154	S	C	.	.	S	Bend	trans	73.4	19.8	179.8	0	0	0	0	0	114.3	R259 D260	R259-G263 WeakPolarHBondContact CD-O 3.32Å; D260-G263 PolarHBondContact O-N 3.25Å; D260-G263 PolarHBondContact OD1-N 3.15Å
264	R	94.7	Very high	95.5	Very high	48 Å²	48	28.7 Å²	28.7	18%	0.181	16%	0.155	C	C	.	.			trans	-86.2	148.2	174.3	-59.6	179.7	-65.4	177.8	-6.4	111.2	R259 D260 S262 D304	R259-R264 CarbonylContact C-O 3.09Å; R259-R264 WeakPolarHBondContact CA-O 3.31Å; R259-R264 VanDerWaalsContact CB-O 3.23Å; R259-R264 WeakPolarHBondContact CB-O 3.16Å; D260-R264 PolarHBondContact N-O 3.16Å; D260-R264 WeakPolarHBondContact OD1-CB 3.34Å; D260-R264 PolarHBondContact OD1-N 2.77Å; D260-R264 IonicContact OD1-NE 2.75Å; D260-R264 IonicContact OD2-CZ 3.34Å; D260-R264 VanDerWaalsContact OD2-CZ 3.25Å; D260-R264 IonicContact OD2-NE 2.81Å; D260-R264 PolarHBondContact OD2-NE 3.33Å; D260-R264 IonicContact OD2-NH2 2.74Å; D260-R264 PolarHBondContact OD2-NH2 2.87Å; S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.18Å; R264-D304 IonicContact CZ-OD2 3.87Å; R264-D304 VanDerWaalsContact CZ-OD2 3.26Å; R264-D304 IonicContact NH1-OD1 3.88Å; R264-D304 IonicContact NH1-OD2 2.84Å; R264-D304 PolarHBondContact NH1-OD2 3.35Å; R264-D304 IonicContact NH2-OD2 3.13Å; R264-D304 PolarHBondContact NH2-OD2 3.19Å
265	E	96.4	Very high	95.2	Very high	12 Å²	12	22.9 Å²	22.9	6%	0.056	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-66.1	139.1	-180	-67.7	-75.7	167.8	0	0	111.4	R197 H268 Y293 S303	R197-E265 WeakPolarHBondContact CD-OE2 3.28Å; R197-E265 IonicContact CZ-OE2 3.31Å; R197-E265 IonicContact NE-OE2 2.67Å; R197-E265 VanDerWaalsContact NH1-CB 3.26Å; R197-E265 IonicContact NH1-OE1 3.68Å; R197-E265 IonicContact NH1-OE2 3.31Å; R197-E265 PolarHBondContact NH1-OE2 3.42Å; E265-H268 PolarHBondContact O-CE1 3.28Å; E265-H268 PolarHBondContact O-NE2 3.43Å; E265-Y293 WeakPolarHBondContact OE1-CD2 3.49Å; E265-S303 VanDerWaalsContact O-CB 3.28Å; E265-S303 WeakPolarHBondContact O-CB 3.29Å; E265-S303 PolarHBondContact O-N 2.99Å
266	T	97.6	Very high	94.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.			trans	-112.2	-28.1	178.3	58.9	0	0	0	0	112.3	S258 D260 A306 V307 S308	S258-T266 VanDerWaalsContact O-CG2 3.26Å; S258-T266 WeakPolarHBondContact O-CG2 3.37Å; S258-T266 PolarHBondContact O-OG1 3.06Å; D260-T266 HydrophobicContact CB-CG2 4.26Å; T266-A306 CarbonylContact O-C 3.52Å; T266-V307 WeakPolarHBondContact O-CA 3.05Å; T266-V307 PolarHBondContact O-N 2.88Å; T266-S308 PolarHBondContact O-N 3.24Å
267	F	98.6	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.6	174.2	-69.2	-103.9	0	0	0	109.4	M167 L180 L183 R197 A212 V215 V307 S308	M167-F267 HydrophobicContact CE-CE1 4.18Å; L180-F267 HydrophobicContact CD1-CZ 4Å; L183-F267 HydrophobicContact CD2-CE2 3.75Å; L183-F267 HydrophobicContact CD2-CZ 4.4Å; R197-F267 HydrophobicContact CB-CB 3.78Å; R197-F267 WeakPolarHBondContact CD-O 3.36Å; R197-F267 VanDerWaalsContact N-CB 3.35Å; R197-F267 PolarHBondContact NH1-O 3.02Å; A212-F267 HydrophobicContact CB-CB 4.26Å; V215-F267 HydrophobicContact CG1-CZ 4.44Å; F267-V307 HydrophobicContact CD1-CB 4.49Å; F267-V307 HydrophobicContact CD1-CG1 4.04Å; F267-V307 HydrophobicContact CD2-CB 4.22Å; F267-V307 HydrophobicContact CD2-CG1 4.41Å; F267-V307 HydrophobicContact CE1-CB 4.32Å; F267-V307 HydrophobicContact CE1-CG1 3.52Å; F267-V307 HydrophobicContact CE2-CB 4.03Å; F267-V307 HydrophobicContact CE2-CG1 3.93Å; F267-V307 HydrophobicContact CE2-CG2 4.18Å; F267-V307 HydrophobicContact CG-CB 4.45Å; F267-V307 HydrophobicContact CG-CG1 4.46Å; F267-V307 HydrophobicContact CZ-CB 4.1Å; F267-V307 HydrophobicContact CZ-CG1 3.47Å; F267-V307 VanDerWaalsContact CZ-CG1 3.47Å; F267-V307 HydrophobicContact CZ-CG2 4.46Å; F267-S308 VanDerWaalsContact CD1-OG 3.22Å; F267-S308 WeakPolarHBondContact CD1-OG 3.45Å
268	H	97.6	Very high	94.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.7	-171.9	-60	-66.4	0	0	0	111.8	A212 E265 F270 L275 C302 S308 F309 H310	A212-H268 WeakPolarHBondContact CB-O 3.18Å; E265-H268 PolarHBondContact O-CE1 3.28Å; E265-H268 PolarHBondContact O-NE2 3.43Å; H268-F270 PolarHBondContact O-N 3.16Å; H268-L275 HydrophobicContact CB-CD1 3.58Å; H268-C302 VanDerWaalsContact CE1-SG 3.6Å; H268-S308 WeakPolarHBondContact CB-O 3.29Å; H268-S308 PolarHBondContact CD2-O 2.6Å; H268-S308 VanDerWaalsContact CD2-O 3.28Å; H268-S308 PolarHBondContact N-O 3.44Å; H268-F309 HydrophobicContact CB-CD1 3.6Å; H268-F309 HydrophobicContact CB-CE1 3.93Å; H268-F309 HydrophobicContact CB-CG 4.34Å; H268-F309 AromaticContact CD2-CD1 3.8Å; H268-F309 AromaticContact CD2-CE1 3.3Å; H268-F309 WeakPolarHBondContact CD2-CE1 3.36Å; H268-F309 AromaticContact CD2-CZ 3.57Å; H268-F309 AromaticContact CG-CD1 3.9Å; H268-F309 AromaticContact CG-CE1 3.69Å; H268-H310 PolarHBondContact O-N 3.38Å
269	P	96.3	Very high	93.8	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.019	21%	0.213	C	C	.	.	S	Bend	trans	-83.5	10.6	-177.5	35	-32.9	0	0	0	113.1	R197 F199 Y287 Y311	R197-P269 HydrophobicContact CG-CG 4.21Å; F199-P269 HydrophobicContact CZ-CB 4.1Å; F199-P269 HydrophobicContact CZ-CG 4.27Å; P269-Y287 HydrophobicContact CG-CD2 4.24Å; P269-Y287 HydrophobicContact CG-CE2 3.88Å; P269-Y311 WeakPolarHBondContact O-CE2 3.09Å
270	F	96	Very high	93.5	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.215	C	C	.	.	S	Bend	trans	-145.7	168.9	-179.4	-56.2	-63.8	0	0	0	110.7	P47 H268 H274 L275 L281 F285 W286 Y287 H310 Y311	P47-F270 HydrophobicContact CB-CE1 4.43Å; H268-F270 PolarHBondContact O-N 3.16Å; F270-H274 HydrophobicContact CB-CB 3.87Å; F270-H274 HydrophobicContact CG-CB 4.43Å; F270-L275 HydrophobicContact CB-CG 4.44Å; F270-L275 HydrophobicContact CD2-CD2 4.16Å; F270-L281 HydrophobicContact CD2-CD1 4.01Å; F270-L281 HydrophobicContact CE2-CD1 3.94Å; F270-F285 HydrophobicContact CE1-CE1 4.01Å; F270-F285 HydrophobicContact CE1-CZ 4.32Å; F270-F285 HydrophobicContact CE2-CE1 4.22Å; F270-F285 AromaticContact CZ-CE1 3.51Å; F270-F285 HydrophobicContact CZ-CE1 3.51Å; F270-F285 HydrophobicContact CZ-CZ 4.18Å; F270-W286 HydrophobicContact CE1-CZ2 4.14Å; F270-W286 AromaticContact CZ-CH2 3.94Å; F270-W286 HydrophobicContact CZ-CH2 3.94Å; F270-W286 AromaticContact CZ-CZ2 3.63Å; F270-W286 HydrophobicContact CZ-CZ2 3.63Å; F270-Y287 HydrophobicContact CD2-CD2 4.42Å; F270-Y287 HydrophobicContact CD2-CE2 4.44Å; F270-Y287 HydrophobicContact CE2-CD1 4.37Å; F270-Y287 AromaticContact CE2-CD2 3.5Å; F270-Y287 HydrophobicContact CE2-CD2 3.5Å; F270-Y287 VanDerWaalsContact CE2-CD2 3.5Å; F270-Y287 AromaticContact CE2-CE2 3.93Å; F270-Y287 HydrophobicContact CE2-CE2 3.93Å; F270-Y287 AromaticContact CE2-CG 3.72Å; F270-Y287 HydrophobicContact CE2-CG 3.72Å; F270-Y287 HydrophobicContact CZ-CD2 4.27Å; F270-Y287 HydrophobicContact CZ-CG 4.4Å; F270-H310 CarbonylContact C-O 3.55Å; F270-H310 PolarHBondContact O-N 2.79Å; F270-Y311 HydrophobicContact CD1-CD2 4.1Å; F270-Y311 HydrophobicContact CD1-CE2 4.16Å; F270-Y311 HydrophobicContact CE1-CE2 4.33Å
271	V	94.7	Very high	93.3	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.214	C	C	.	.			trans	-64.8	155.7	170.6	-64.2	0	0	0	0	111.2	E273 H274 H310 Y311 V312	V271-E273 VanDerWaalsContact C-N 3.28Å; V271-E273 WeakPolarHBondContact CB-OE2 3.25Å; V271-E273 VanDerWaalsContact CG2-OE2 3.32Å; V271-E273 WeakPolarHBondContact CG2-OE2 3.25Å; V271-E273 PolarHBondContact O-N 2.72Å; V271-H274 HydrophobicContact CG2-CB 4.34Å; V271-H274 WeakPolarHBondContact CG2-CD2 3.27Å; V271-H274 PolarHBondContact O-N 3.41Å; V271-H310 WeakPolarHBondContact CG1-O 3.46Å; V271-H310 PolarHBondContact N-O 2.66Å; V271-Y311 VanDerWaalsContact CG1-C 3.44Å; V271-Y311 WeakPolarHBondContact CG1-O 3.27Å; V271-V312 HydrophobicContact CG1-CG2 4.28Å
272	P	93.7	Very high	93.3	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-54.1	-40	-176.9	-27.1	35	0	0	0	114.2	H274 L275 L276 F309 L320	P272-H274 VanDerWaalsContact C-N 3.26Å; P272-H274 PolarHBondContact O-N 2.76Å; P272-L275 PolarHBondContact O-N 2.91Å; P272-L276 HydrophobicContact CB-CD1 3.85Å; P272-L276 WeakPolarHBondContact O-CB 3.43Å; P272-L276 VanDerWaalsContact O-CG 3.29Å; P272-L276 WeakPolarHBondContact O-CG 3.14Å; P272-L276 PolarHBondContact O-N 2.91Å; P272-F309 HydrophobicContact CB-CD1 4.41Å; P272-F309 HydrophobicContact CB-CE1 4.27Å; P272-F309 HydrophobicContact CG-CD1 3.79Å; P272-F309 HydrophobicContact CG-CD2 4.34Å; P272-F309 HydrophobicContact CG-CE1 3.98Å; P272-F309 HydrophobicContact CG-CG 3.99Å; P272-F309 HydrophobicContact CG-CZ 4.35Å; P272-L320 HydrophobicContact CG-CD2 4.25Å
273	E	91.9	Very high	93.2	Very high	87 Å²	87	43.1 Å²	43.1	41%	0.407	22%	0.221	S	C	.	.	H	α-helix	trans	-60.6	-36.7	-175.3	-59.1	75.5	-161.8	0	0	111.9	V271 L275 I277	V271-E273 VanDerWaalsContact C-N 3.28Å; V271-E273 WeakPolarHBondContact CB-OE2 3.25Å; V271-E273 VanDerWaalsContact CG2-OE2 3.32Å; V271-E273 WeakPolarHBondContact CG2-OE2 3.25Å; V271-E273 PolarHBondContact O-N 2.72Å; E273-L275 PolarHBondContact O-N 2.85Å; E273-I277 HydrophobicContact CB-CD1 4.26Å; E273-I277 WeakPolarHBondContact O-CB 3.05Å; E273-I277 WeakPolarHBondContact O-CG1 2.99Å; E273-I277 PolarHBondContact O-N 2.61Å
274	H	91.9	Very high	93.1	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-22.7	-179.5	-70.5	-160.4	0	0	0	112.8	F270 V271 P272 Y280 L281	F270-H274 HydrophobicContact CB-CB 3.87Å; F270-H274 HydrophobicContact CG-CB 4.43Å; V271-H274 HydrophobicContact CG2-CB 4.34Å; V271-H274 WeakPolarHBondContact CG2-CD2 3.27Å; V271-H274 PolarHBondContact O-N 3.41Å; P272-H274 VanDerWaalsContact C-N 3.26Å; P272-H274 PolarHBondContact O-N 2.76Å; H274-Y280 HydrophobicContact CB-CD1 4.01Å; H274-Y280 HydrophobicContact CB-CE1 4.19Å; H274-Y280 AromaticContact CD2-CD1 3.78Å; H274-Y280 AromaticContact CD2-CE1 3.09Å; H274-Y280 WeakPolarHBondContact CD2-CE1 3.43Å; H274-Y280 AromaticContact CD2-CZ 3.36Å; H274-Y280 AromaticContact CE1-CE1 3.87Å; H274-Y280 AromaticContact CG-CD1 3.83Å; H274-Y280 AromaticContact CG-CE1 3.5Å; H274-Y280 VanDerWaalsContact CG-CE1 3.5Å; H274-Y280 AromaticContact ND1-CE1 3.95Å; H274-Y280 AromaticContact NE2-CE1 3.36Å; H274-Y280 WeakPolarHBondContact NE2-CE1 3.05Å; H274-Y280 AromaticContact NE2-CZ 3.52Å; H274-Y280 PolarHBondContact NE2-OH 2.81Å; H274-L281 HydrophobicContact CB-CD2 4.38Å; H274-L281 HydrophobicContact CB-CG 4.49Å
275	L	91.8	Very high	93	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-104.4	-38	-174.8	-62.7	170.2	0	0	0	111.9	H268 F270 P272 E273 Y287 G298 C301	H268-L275 HydrophobicContact CB-CD1 3.58Å; F270-L275 HydrophobicContact CB-CG 4.44Å; F270-L275 HydrophobicContact CD2-CD2 4.16Å; P272-L275 PolarHBondContact O-N 2.91Å; E273-L275 PolarHBondContact O-N 2.85Å; L275-Y287 HydrophobicContact CD2-CE1 4.39Å; L275-G298 PolarHBondContact O-N 3.05Å; L275-C301 HydrophobicContact CB-CB 4.36Å
276	L	92.1	Very high	92.8	Very high	76 Å²	76	50 Å²	50	40%	0.398	25%	0.252	S	S	.	.	H	α-helix	trans	-79.4	-23	-176.3	-67	172.2	0	0	0	113.4	P272 G298	P272-L276 HydrophobicContact CB-CD1 3.85Å; P272-L276 WeakPolarHBondContact O-CB 3.43Å; P272-L276 VanDerWaalsContact O-CG 3.29Å; P272-L276 WeakPolarHBondContact O-CG 3.14Å; P272-L276 PolarHBondContact O-N 2.91Å; L276-G298 VanDerWaalsContact O-CA 3.27Å; L276-G298 WeakPolarHBondContact O-CA 3.26Å
277	I	91.8	Very high	92.5	Very high	88 Å²	88	50.3 Å²	50.3	45%	0.451	25%	0.253	S	S	.	.	S	Bend	trans	-95	114.5	178.3	-58.3	173.2	0	0	0	108.8	E273 G279 Y280	E273-I277 HydrophobicContact CB-CD1 4.26Å; E273-I277 WeakPolarHBondContact O-CB 3.05Å; E273-I277 WeakPolarHBondContact O-CG1 2.99Å; E273-I277 PolarHBondContact O-N 2.61Å; I277-G279 PolarHBondContact O-N 2.9Å; I277-Y280 HydrophobicContact CB-CD2 4.35Å; I277-Y280 HydrophobicContact CD1-CD2 4.36Å; I277-Y280 HydrophobicContact CG2-CD2 4.47Å; I277-Y280 VanDerWaalsContact O-CB 3.3Å; I277-Y280 WeakPolarHBondContact O-CB 3.31Å; I277-Y280 PolarHBondContact O-N 3.11Å
278	R	89.9	Confident	92.2	Very high	195 Å²	195	52.7 Å²	52.7	74%	0.736	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	135.5	177.9	-72	-173.5	176.6	169.3	1.7	110.8	Y280 E297	R278-Y280 PolarHBondContact O-N 3.3Å; R278-E297 HydrophobicContact CG-CB 4.24Å
279	G	88.7	Confident	92.1	Very high	51 Å²	51	58.5 Å²	58.5	53%	0.526	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	6.3	179.4	0	0	0	0	0	115	I277	I277-G279 PolarHBondContact O-N 2.9Å
280	Y	90.7	Very high	92	Very high	75 Å²	75	61.1 Å²	61.1	29%	0.294	30%	0.303	S	S	.	.			trans	-62.9	-49.4	175.4	-169.6	-77.9	0	0	0	111.4	H274 I277 R278	H274-Y280 HydrophobicContact CB-CD1 4.01Å; H274-Y280 HydrophobicContact CB-CE1 4.19Å; H274-Y280 AromaticContact CD2-CD1 3.78Å; H274-Y280 AromaticContact CD2-CE1 3.09Å; H274-Y280 WeakPolarHBondContact CD2-CE1 3.43Å; H274-Y280 AromaticContact CD2-CZ 3.36Å; H274-Y280 AromaticContact CE1-CE1 3.87Å; H274-Y280 AromaticContact CG-CD1 3.83Å; H274-Y280 AromaticContact CG-CE1 3.5Å; H274-Y280 VanDerWaalsContact CG-CE1 3.5Å; H274-Y280 AromaticContact ND1-CE1 3.95Å; H274-Y280 AromaticContact NE2-CE1 3.36Å; H274-Y280 WeakPolarHBondContact NE2-CE1 3.05Å; H274-Y280 AromaticContact NE2-CZ 3.52Å; H274-Y280 PolarHBondContact NE2-OH 2.81Å; I277-Y280 HydrophobicContact CB-CD2 4.35Å; I277-Y280 HydrophobicContact CD1-CD2 4.36Å; I277-Y280 HydrophobicContact CG2-CD2 4.47Å; I277-Y280 VanDerWaalsContact O-CB 3.3Å; I277-Y280 WeakPolarHBondContact O-CB 3.31Å; I277-Y280 PolarHBondContact O-N 3.11Å; R278-Y280 PolarHBondContact O-N 3.3Å
281	L	89.8	Confident	92	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	31%	0.307	C	S	.	.	S	Bend	trans	-86.1	122.5	176.8	-64.8	177.2	0	0	0	110.4	F270 H274 F285 Y287 W288	F270-L281 HydrophobicContact CD2-CD1 4.01Å; F270-L281 HydrophobicContact CE2-CD1 3.94Å; H274-L281 HydrophobicContact CB-CD2 4.38Å; H274-L281 HydrophobicContact CB-CG 4.49Å; L281-F285 HydrophobicContact CB-CD1 4.42Å; L281-F285 HydrophobicContact CD1-CD1 4.38Å; L281-F285 HydrophobicContact CD2-CD1 3.98Å; L281-F285 HydrophobicContact CD2-CE1 3.95Å; L281-F285 HydrophobicContact CG-CD1 4.5Å; L281-Y287 HydrophobicContact CD1-CD1 3.8Å; L281-Y287 HydrophobicContact CD1-CE1 4.14Å; L281-Y287 HydrophobicContact CD1-CG 4.38Å; L281-W288 HydrophobicContact CB-CZ2 3.91Å
282	P	91.2	Very high	92.1	Very high	74 Å²	74	66 Å²	66	48%	0.481	32%	0.323	S	S	.	.			trans	-57.2	141.6	177	-23.8	33	0	0	0	111.5	T284 F285 W288	P282-T284 PolarHBondContact O-N 2.91Å; P282-T284 VanDerWaalsContact O-N 3.1Å; P282-F285 WeakPolarHBondContact O-CB 2.8Å; P282-F285 PolarHBondContact O-N 3.06Å; P282-W288 VanDerWaalsContact O-CD1 3.27Å; P282-W288 PolarHBondContact O-NE1 3.27Å
283	K	89	Confident	92.2	Very high	129 Å²	129	66.9 Å²	66.9	56%	0.561	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	178.4	-65.5	-54.9	-173.9	-165.2	0	114.4	F285 W288 E297	K283-F285 VanDerWaalsContact C-N 3.28Å; K283-W288 HydrophobicContact CD-CD2 4.43Å; K283-W288 HydrophobicContact CD-CZ2 4.36Å; K283-W288 VanDerWaalsContact O-CD1 3.27Å; K283-E297 IonicContact NZ-OE1 2.79Å; K283-E297 PolarHBondContact NZ-OE1 3.26Å; K283-E297 IonicContact NZ-OE2 2.66Å; K283-E297 PolarHBondContact NZ-OE2 2.97Å
284	T	91	Very high	92.2	Very high	131 Å²	131	68.4 Å²	68.4	80%	0.804	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.5	172.7	51.5	0	0	0	0	113.4	P282	P282-T284 PolarHBondContact O-N 2.91Å; P282-T284 VanDerWaalsContact O-N 3.1Å
285	F	92.3	Very high	92.2	Very high	33 Å²	33	69.4 Å²	69.4	15%	0.145	35%	0.352	C	S	.	.	S	Bend	trans	-67.2	142.6	-176.6	-167.2	-129.6	0	0	0	111.7	P47 F270 L281 P282 K283 Y287 W288	P47-F285 HydrophobicContact CB-CZ 4.15Å; P47-F285 HydrophobicContact CG-CE1 4.43Å; P47-F285 HydrophobicContact CG-CE2 4.15Å; P47-F285 HydrophobicContact CG-CZ 3.76Å; F270-F285 HydrophobicContact CE1-CE1 4.01Å; F270-F285 HydrophobicContact CE1-CZ 4.32Å; F270-F285 HydrophobicContact CE2-CE1 4.22Å; F270-F285 AromaticContact CZ-CE1 3.51Å; F270-F285 HydrophobicContact CZ-CE1 3.51Å; F270-F285 HydrophobicContact CZ-CZ 4.18Å; L281-F285 HydrophobicContact CB-CD1 4.42Å; L281-F285 HydrophobicContact CD1-CD1 4.38Å; L281-F285 HydrophobicContact CD2-CD1 3.98Å; L281-F285 HydrophobicContact CD2-CE1 3.95Å; L281-F285 HydrophobicContact CG-CD1 4.5Å; P282-F285 WeakPolarHBondContact O-CB 2.8Å; P282-F285 PolarHBondContact O-N 3.06Å; K283-F285 VanDerWaalsContact C-N 3.28Å; F285-Y287 PolarHBondContact O-N 2.97Å; F285-W288 VanDerWaalsContact O-CD1 3.24Å; F285-W288 PolarHBondContact O-N 3.26Å
286	W	91.8	Very high	92.1	Very high	74 Å²	74	74.1 Å²	74.1	28%	0.28	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.2	-173.8	64.2	-100.1	0	0	0	112.9	H48 F199 F270 W288 N289 Y290	H48-W286 AromaticContact NE2-NE1 3.62Å; F199-W286 HydrophobicContact CE1-CZ3 4.21Å; F199-W286 HydrophobicContact CE2-CH2 4.34Å; F199-W286 HydrophobicContact CE2-CZ3 4.19Å; F199-W286 AromaticContact CZ-CH2 3.88Å; F199-W286 HydrophobicContact CZ-CH2 3.88Å; F199-W286 AromaticContact CZ-CZ3 3.78Å; F199-W286 HydrophobicContact CZ-CZ3 3.78Å; F270-W286 HydrophobicContact CE1-CZ2 4.14Å; F270-W286 AromaticContact CZ-CH2 3.94Å; F270-W286 HydrophobicContact CZ-CH2 3.94Å; F270-W286 AromaticContact CZ-CZ2 3.63Å; F270-W286 HydrophobicContact CZ-CZ2 3.63Å; W286-W288 PolarHBondContact O-N 3.26Å; W286-W288 VanDerWaalsContact O-N 3.15Å; W286-N289 PolarHBondContact O-N 3.07Å; W286-Y290 HydrophobicContact CB-CD2 4.34Å; W286-Y290 HydrophobicContact CB-CE2 4.26Å; W286-Y290 AromaticContact CE3-CD1 3.75Å; W286-Y290 HydrophobicContact CE3-CD1 3.75Å; W286-Y290 AromaticContact CE3-CD2 3.76Å; W286-Y290 HydrophobicContact CE3-CD2 3.76Å; W286-Y290 HydrophobicContact CE3-CE1 4.27Å; W286-Y290 HydrophobicContact CE3-CE2 4.29Å; W286-Y290 AromaticContact CE3-CG 3.47Å; W286-Y290 HydrophobicContact CE3-CG 3.47Å; W286-Y290 VanDerWaalsContact CE3-CG 3.47Å; W286-Y290 AromaticContact CZ3-CD1 3.86Å; W286-Y290 HydrophobicContact CZ3-CD1 3.86Å; W286-Y290 AromaticContact CZ3-CG 3.84Å; W286-Y290 HydrophobicContact CZ3-CG 3.84Å; W286-Y290 VanDerWaalsContact O-CD2 3.27Å; W286-Y290 WeakPolarHBondContact O-CD2 3.28Å; W286-Y290 PolarHBondContact O-N 2.77Å
287	Y	92.6	Very high	91.9	Very high	6 Å²	6	72.7 Å²	72.7	2%	0.024	37%	0.367	C	S	.	.	H	α-helix	trans	-46.5	-47.9	-178.3	170.5	-116.2	0	0	0	112	R197 P269 F270 L275 L281 F285 N289 Y290 N291 A295	R197-Y287 VanDerWaalsContact NH2-CZ 3.35Å; R197-Y287 PolarHBondContact NH2-OH 2.74Å; P269-Y287 HydrophobicContact CG-CD2 4.24Å; P269-Y287 HydrophobicContact CG-CE2 3.88Å; F270-Y287 HydrophobicContact CD2-CD2 4.42Å; F270-Y287 HydrophobicContact CD2-CE2 4.44Å; F270-Y287 HydrophobicContact CE2-CD1 4.37Å; F270-Y287 AromaticContact CE2-CD2 3.5Å; F270-Y287 HydrophobicContact CE2-CD2 3.5Å; F270-Y287 VanDerWaalsContact CE2-CD2 3.5Å; F270-Y287 AromaticContact CE2-CE2 3.93Å; F270-Y287 HydrophobicContact CE2-CE2 3.93Å; F270-Y287 AromaticContact CE2-CG 3.72Å; F270-Y287 HydrophobicContact CE2-CG 3.72Å; F270-Y287 HydrophobicContact CZ-CD2 4.27Å; F270-Y287 HydrophobicContact CZ-CG 4.4Å; L275-Y287 HydrophobicContact CD2-CE1 4.39Å; L281-Y287 HydrophobicContact CD1-CD1 3.8Å; L281-Y287 HydrophobicContact CD1-CE1 4.14Å; L281-Y287 HydrophobicContact CD1-CG 4.38Å; F285-Y287 PolarHBondContact O-N 2.97Å; Y287-N289 PolarHBondContact O-N 3.17Å; Y287-N289 VanDerWaalsContact O-N 3.16Å; Y287-Y290 PolarHBondContact O-N 2.81Å; Y287-N291 WeakPolarHBondContact CE2-OD1 3.39Å; Y287-N291 PolarHBondContact O-N 2.88Å; Y287-N291 PolarHBondContact O-ND2 3.1Å; Y287-A295 HydrophobicContact CE1-CB 4.01Å
288	W	92.6	Very high	91.8	Very high	49 Å²	49	68.5 Å²	68.5	19%	0.186	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-34.4	-176.8	-58.5	111.9	0	0	0	113.4	L281 P282 K283 F285 W286 A295 E297	L281-W288 HydrophobicContact CB-CZ2 3.91Å; P282-W288 VanDerWaalsContact O-CD1 3.27Å; P282-W288 PolarHBondContact O-NE1 3.27Å; K283-W288 HydrophobicContact CD-CD2 4.43Å; K283-W288 HydrophobicContact CD-CZ2 4.36Å; K283-W288 VanDerWaalsContact O-CD1 3.27Å; F285-W288 VanDerWaalsContact O-CD1 3.24Å; F285-W288 PolarHBondContact O-N 3.26Å; W286-W288 PolarHBondContact O-N 3.26Å; W286-W288 VanDerWaalsContact O-N 3.15Å; W288-A295 HydrophobicContact CE3-CB 4.14Å; W288-A295 HydrophobicContact CZ3-CB 3.81Å; W288-E297 VanDerWaalsContact CH2-CD 3.49Å; W288-E297 HydrophobicContact CH2-CG 3.26Å; W288-E297 WeakPolarHBondContact CH2-OE1 3.19Å; W288-E297 HydrophobicContact CZ2-CG 4.03Å; W288-E297 WeakPolarHBondContact CZ2-OE1 3.4Å; W288-E297 HydrophobicContact CZ3-CG 4.05Å
289	N	94	Very high	91.7	Very high	123 Å²	123	64 Å²	64	66%	0.658	34%	0.342	S	S	*	.	H	α-helix	trans	-88.8	-15.3	-178.6	-63.9	-45.4	0	0	0	113.2	W286 Y287	W286-N289 PolarHBondContact O-N 3.07Å; Y287-N289 PolarHBondContact O-N 3.17Å; Y287-N289 VanDerWaalsContact O-N 3.16Å
290	Y	95.6	Very high	91.6	Very high	58 Å²	58	63.4 Å²	63.4	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-89.1	-23.9	-176.5	-89	-125.9	0	0	0	112.8	F199 K200 P201 Y202 Y207 W286 Y287 Y292	F199-Y290 CarbonylContact C-O 3.56Å; F199-Y290 WeakPolarHBondContact CA-O 2.76Å; F199-Y290 HydrophobicContact CB-CD1 4.49Å; F199-Y290 HydrophobicContact CD2-CD1 4.17Å; F199-Y290 HydrophobicContact CG-CD1 4.23Å; K200-Y290 PolarHBondContact N-O 3.3Å; P201-Y290 HydrophobicContact CG-CD1 4.18Å; P201-Y290 HydrophobicContact CG-CD2 4.03Å; P201-Y290 HydrophobicContact CG-CE1 4.38Å; P201-Y290 HydrophobicContact CG-CE2 4.24Å; P201-Y290 HydrophobicContact CG-CG 3.99Å; Y202-Y290 HydrophobicContact CE2-CE1 4.39Å; Y202-Y290 PolarHBondContact OH-OH 2.72Å; Y207-Y290 WeakPolarHBondContact OH-CE1 3.28Å; W286-Y290 HydrophobicContact CB-CD2 4.34Å; W286-Y290 HydrophobicContact CB-CE2 4.26Å; W286-Y290 AromaticContact CE3-CD1 3.75Å; W286-Y290 HydrophobicContact CE3-CD1 3.75Å; W286-Y290 AromaticContact CE3-CD2 3.76Å; W286-Y290 HydrophobicContact CE3-CD2 3.76Å; W286-Y290 HydrophobicContact CE3-CE1 4.27Å; W286-Y290 HydrophobicContact CE3-CE2 4.29Å; W286-Y290 AromaticContact CE3-CG 3.47Å; W286-Y290 HydrophobicContact CE3-CG 3.47Å; W286-Y290 VanDerWaalsContact CE3-CG 3.47Å; W286-Y290 AromaticContact CZ3-CD1 3.86Å; W286-Y290 HydrophobicContact CZ3-CD1 3.86Å; W286-Y290 AromaticContact CZ3-CG 3.84Å; W286-Y290 HydrophobicContact CZ3-CG 3.84Å; W286-Y290 VanDerWaalsContact O-CD2 3.27Å; W286-Y290 WeakPolarHBondContact O-CD2 3.28Å; W286-Y290 PolarHBondContact O-N 2.77Å; Y287-Y290 PolarHBondContact O-N 2.81Å; Y290-Y292 PolarHBondContact O-N 3.03Å
291	N	95.4	Very high	91.4	Very high	15 Å²	15	60.2 Å²	60.2	8%	0.08	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-64.4	130.9	-175	-61.3	-55.5	0	0	0	112.4	R197 Y287 Y293 A295	R197-N291 PolarHBondContact NE-OD1 3.47Å; R197-N291 PolarHBondContact NH2-OD1 2.8Å; Y287-N291 WeakPolarHBondContact CE2-OD1 3.39Å; Y287-N291 PolarHBondContact O-N 2.88Å; Y287-N291 PolarHBondContact O-ND2 3.1Å; N291-Y293 WeakPolarHBondContact CB-O 3.48Å; N291-A295 HydrophobicContact CB-CB 4.37Å; N291-A295 VanDerWaalsContact ND2-CB 3.29Å; N291-A295 WeakPolarHBondContact ND2-CB 3.34Å
292	Y	97.3	Very high	91.5	Very high	90 Å²	90	60.4 Å²	60.4	35%	0.353	33%	0.326	S	S	.	.	S	Bend	trans	-71	-42.6	173.5	-168.7	-85.1	0	0	0	111.8	R198 K200 Y290	R198-Y292 HydrophobicContact CB-CG 4.49Å; R198-Y292 VanDerWaalsContact CD-CG 3.43Å; R198-Y292 HydrophobicContact CG-CD2 4.07Å; R198-Y292 HydrophobicContact CG-CG 3.93Å; R198-Y292 WeakPolarHBondContact O-CB 3.34Å; R198-Y292 PolarHBondContact O-N 3.48Å; R198-Y292 VanDerWaalsContact O-N 3.16Å; K200-Y292 HydrophobicContact CB-CD2 4.12Å; K200-Y292 HydrophobicContact CG-CD2 4.36Å; Y290-Y292 PolarHBondContact O-N 3.03Å
293	Y	95.4	Very high	91.7	Very high	32 Å²	32	57.2 Å²	57.2	13%	0.125	31%	0.306	C	S	.	.	S	Bend	trans	-98.8	151.6	172.6	-52.2	-73.1	0	0	0	110.2	R198 D257 R259 E265 N291 A295	R198-Y293 HydrophobicContact CB-CE2 4.43Å; R198-Y293 PolarHBondContact NH2-OH 2.86Å; D257-Y293 VanDerWaalsContact CG-OH 3.27Å; D257-Y293 PolarHBondContact OD2-OH 3.45Å; R259-Y293 HydrophobicContact CG-CD2 4.3Å; R259-Y293 HydrophobicContact CG-CE2 4.4Å; R259-Y293 VanDerWaalsContact CZ-CE1 3.47Å; E265-Y293 WeakPolarHBondContact OE1-CD2 3.49Å; N291-Y293 WeakPolarHBondContact CB-O 3.48Å; Y293-A295 PolarHBondContact O-N 2.97Å
294	P	92.4	Very high	91.8	Very high	118 Å²	118	55.1 Å²	55.1	77%	0.766	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-56.8	122.4	176.9	-25	34.8	0	0	0	111.6
295	A	90.8	Very high	92	Very high	28 Å²	28	50 Å²	50	23%	0.231	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-79.5	136.3	177.7	0	0	0	0	0	111.3	Y287 W288 N291 Y293	Y287-A295 HydrophobicContact CE1-CB 4.01Å; W288-A295 HydrophobicContact CE3-CB 4.14Å; W288-A295 HydrophobicContact CZ3-CB 3.81Å; N291-A295 HydrophobicContact CB-CB 4.37Å; N291-A295 VanDerWaalsContact ND2-CB 3.29Å; N291-A295 WeakPolarHBondContact ND2-CB 3.34Å; Y293-A295 PolarHBondContact O-N 2.97Å
296	I	90.3	Very high	92.2	Very high	105 Å²	105	48.7 Å²	48.7	54%	0.538	26%	0.264	S	S	.	.			trans	-109.2	139.5	176.2	-59.6	175.9	0	0	0	108.2	C301	I296-C301 VanDerWaalsContact O-CA 3.29Å; I296-C301 WeakPolarHBondContact O-CA 3.29Å; I296-C301 WeakPolarHBondContact O-CB 3.38Å
297	E	87.3	Confident	92.5	Very high	45 Å²	45	45.2 Å²	45.2	21%	0.21	25%	0.25	C	S	.	.			trans	-97.3	155.9	173.9	-74.2	175.7	151.9	0	0	112.5	R278 K283 W288	R278-E297 HydrophobicContact CG-CB 4.24Å; K283-E297 IonicContact NZ-OE1 2.79Å; K283-E297 PolarHBondContact NZ-OE1 3.26Å; K283-E297 IonicContact NZ-OE2 2.66Å; K283-E297 PolarHBondContact NZ-OE2 2.97Å; W288-E297 VanDerWaalsContact CH2-CD 3.49Å; W288-E297 HydrophobicContact CH2-CG 3.26Å; W288-E297 WeakPolarHBondContact CH2-OE1 3.19Å; W288-E297 HydrophobicContact CZ2-CG 4.03Å; W288-E297 WeakPolarHBondContact CZ2-OE1 3.4Å; W288-E297 HydrophobicContact CZ3-CG 4.05Å
298	G	90.2	Very high	92.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	88	-166.2	174.8	0	0	0	0	0	111.9	L275 L276 G300 C301	L275-G298 PolarHBondContact O-N 3.05Å; L276-G298 VanDerWaalsContact O-CA 3.27Å; L276-G298 WeakPolarHBondContact O-CA 3.26Å; G298-G300 PolarHBondContact O-N 3.4Å; G298-C301 VanDerWaalsContact O-CB 3.23Å; G298-C301 WeakPolarHBondContact O-CB 3.23Å; G298-C301 PolarHBondContact O-N 3.37Å; G298-C301 PolarHBondContact O-SG 2.9Å
299	P	87.4	Confident	93.1	Very high	102 Å²	102	43.5 Å²	43.5	66%	0.662	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.9	-177.1	-28.2	36	0	0	0	115.5
300	G	86.9	Confident	93.3	Very high	37 Å²	37	38.2 Å²	38.2	38%	0.381	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	175.4	0	0	0	0	0	115.3	G298 C302	G298-G300 PolarHBondContact O-N 3.4Å; G300-C302 PolarHBondContact O-N 2.86Å
301	C	87	Confident	93.3	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.061	21%	0.213	C	C	.	.	S	Bend	trans	-60.8	-33	-178.7	63.4	0	0	0	0	113.6	L275 I296 G298	L275-C301 HydrophobicContact CB-CB 4.36Å; I296-C301 VanDerWaalsContact O-CA 3.29Å; I296-C301 WeakPolarHBondContact O-CA 3.29Å; I296-C301 WeakPolarHBondContact O-CB 3.38Å; G298-C301 VanDerWaalsContact O-CB 3.23Å; G298-C301 WeakPolarHBondContact O-CB 3.23Å; G298-C301 PolarHBondContact O-N 3.37Å; G298-C301 PolarHBondContact O-SG 2.9Å
302	C	91.8	Very high	93.4	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.074	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-129.7	133.6	-151.8	-55.1	0	0	0	0	108	H268 G300	H268-C302 VanDerWaalsContact CE1-SG 3.6Å; G300-C302 PolarHBondContact O-N 2.86Å
303	S	94.3	Very high	93.2	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.049	20%	0.204	C	C	.	.			trans	-63.4	145.4	177.9	-177.1	0	0	0	0	110.7	D260 E265 L305 A306	D260-S303 WeakPolarHBondContact CB-OG 3.4Å; D260-S303 VanDerWaalsContact CG-OG 3.24Å; D260-S303 VanDerWaalsContact OD2-CB 3.28Å; D260-S303 WeakPolarHBondContact OD2-CB 3.04Å; D260-S303 PolarHBondContact OD2-OG 3.37Å; E265-S303 VanDerWaalsContact O-CB 3.28Å; E265-S303 WeakPolarHBondContact O-CB 3.29Å; E265-S303 PolarHBondContact O-N 2.99Å; S303-L305 PolarHBondContact O-N 3.15Å; S303-L305 WeakPolarHBondContact OG-CA 3.29Å; S303-L305 PolarHBondContact OG-N 3.49Å; S303-A306 WeakPolarHBondContact O-CB 3.17Å; S303-A306 PolarHBondContact O-N 3.49Å
304	D	92	Very high	93.1	Very high	85 Å²	85	33.9 Å²	33.9	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.1	164.8	-58.7	-53.8	0	0	0	111.8	R264	R264-D304 IonicContact CZ-OD2 3.87Å; R264-D304 VanDerWaalsContact CZ-OD2 3.26Å; R264-D304 IonicContact NH1-OD1 3.88Å; R264-D304 IonicContact NH1-OD2 2.84Å; R264-D304 PolarHBondContact NH1-OD2 3.35Å; R264-D304 IonicContact NH2-OD2 3.13Å; R264-D304 PolarHBondContact NH2-OD2 3.19Å
305	L	93.8	Very high	93	Very high	22 Å²	22	32.6 Å²	32.6	12%	0.115	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	36.4	173	-59.5	172.5	0	0	0	110.7	N179 W182 S303 V307 Y336 P338	N179-L305 WeakPolarHBondContact ND2-CA 3.4Å; W182-L305 HydrophobicContact CD2-CD1 3.8Å; W182-L305 HydrophobicContact CE3-CB 4.26Å; W182-L305 HydrophobicContact CE3-CD1 3.7Å; W182-L305 HydrophobicContact CH2-CD1 3.37Å; W182-L305 HydrophobicContact CZ2-CD1 3.55Å; W182-L305 HydrophobicContact CZ3-CB 4.1Å; W182-L305 HydrophobicContact CZ3-CD1 3.49Å; W182-L305 VanDerWaalsContact CZ3-CD1 3.49Å; W182-L305 HydrophobicContact CZ3-CG 4.44Å; S303-L305 PolarHBondContact O-N 3.15Å; S303-L305 WeakPolarHBondContact OG-CA 3.29Å; S303-L305 PolarHBondContact OG-N 3.49Å; L305-V307 PolarHBondContact O-N 2.84Å; L305-Y336 HydrophobicContact CD1-CD1 4.24Å; L305-Y336 HydrophobicContact CD1-CE1 4.12Å; L305-Y336 HydrophobicContact CG-CD1 4.45Å; L305-P338 HydrophobicContact CD1-CB 4.12Å; L305-P338 HydrophobicContact CD1-CG 4.21Å
306	A	96.6	Very high	93.2	Very high	7 Å²	7	32.2 Å²	32.2	6%	0.058	18%	0.183	C	C	.	.			trans	-52.2	136.9	173.2	0	0	0	0	0	110.8	I176 N179 T266 S303 F309	I176-A306 VanDerWaalsContact CD1-O 3.29Å; I176-A306 WeakPolarHBondContact CD1-O 3.17Å; N179-A306 WeakPolarHBondContact CB-O 3.35Å; N179-A306 PolarHBondContact ND2-O 2.93Å; T266-A306 CarbonylContact O-C 3.52Å; S303-A306 WeakPolarHBondContact O-CB 3.17Å; S303-A306 PolarHBondContact O-N 3.49Å; A306-F309 HydrophobicContact CB-CE2 3.88Å; A306-F309 HydrophobicContact CB-CZ 3.79Å
307	V	98.6	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.			trans	-98.1	-40.8	-177.8	168	0	0	0	0	111.2	V175 I176 N179 L180 T266 F267 L305	V175-V307 CarbonylContact C-O 3.5Å; V175-V307 WeakPolarHBondContact CA-O 3.39Å; V175-V307 HydrophobicContact CG1-CG1 4.23Å; V175-V307 WeakPolarHBondContact CG1-O 3.2Å; I176-V307 PolarHBondContact N-O 2.84Å; N179-V307 HydrophobicContact CB-CG2 4.29Å; L180-V307 HydrophobicContact CB-CG1 3.95Å; L180-V307 HydrophobicContact CB-CG2 4.37Å; L180-V307 HydrophobicContact CD1-CG1 4.03Å; L180-V307 HydrophobicContact CG-CG1 4.39Å; T266-V307 WeakPolarHBondContact O-CA 3.05Å; T266-V307 PolarHBondContact O-N 2.88Å; F267-V307 HydrophobicContact CD1-CB 4.49Å; F267-V307 HydrophobicContact CD1-CG1 4.04Å; F267-V307 HydrophobicContact CD2-CB 4.22Å; F267-V307 HydrophobicContact CD2-CG1 4.41Å; F267-V307 HydrophobicContact CE1-CB 4.32Å; F267-V307 HydrophobicContact CE1-CG1 3.52Å; F267-V307 HydrophobicContact CE2-CB 4.03Å; F267-V307 HydrophobicContact CE2-CG1 3.93Å; F267-V307 HydrophobicContact CE2-CG2 4.18Å; F267-V307 HydrophobicContact CG-CB 4.45Å; F267-V307 HydrophobicContact CG-CG1 4.46Å; F267-V307 HydrophobicContact CZ-CB 4.1Å; F267-V307 HydrophobicContact CZ-CG1 3.47Å; F267-V307 VanDerWaalsContact CZ-CG1 3.47Å; F267-V307 HydrophobicContact CZ-CG2 4.46Å; L305-V307 PolarHBondContact O-N 2.84Å
308	S	98.7	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154.7	-175.7	63.9	0	0	0	0	114.4	Y174 A212 T266 F267 H268	Y174-S308 WeakPolarHBondContact O-CA 3.42Å; Y174-S308 WeakPolarHBondContact O-CB 3.37Å; A212-S308 VanDerWaalsContact O-CB 3.28Å; A212-S308 WeakPolarHBondContact O-CB 3.26Å; A212-S308 PolarHBondContact O-OG 2.66Å; T266-S308 PolarHBondContact O-N 3.24Å; F267-S308 VanDerWaalsContact CD1-OG 3.22Å; F267-S308 WeakPolarHBondContact CD1-OG 3.45Å; H268-S308 WeakPolarHBondContact CB-O 3.29Å; H268-S308 PolarHBondContact CD2-O 2.6Å; H268-S308 VanDerWaalsContact CD2-O 3.28Å; H268-S308 PolarHBondContact N-O 3.44Å
309	F	98.4	Very high	93.9	Very high	19 Å²	19	31.3 Å²	31.3	8%	0.083	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.1	170.9	-61.8	-87.5	0	0	0	109.3	T173 Y174 I176 H268 P272 A306 V312	T173-F309 WeakPolarHBondContact CA-O 3.23Å; T173-F309 WeakPolarHBondContact CG2-O 3.44Å; Y174-F309 PolarHBondContact N-O 2.87Å; Y174-F309 PolarHBondContact O-N 3.04Å; I176-F309 HydrophobicContact CD1-CE2 4.49Å; H268-F309 HydrophobicContact CB-CD1 3.6Å; H268-F309 HydrophobicContact CB-CE1 3.93Å; H268-F309 HydrophobicContact CB-CG 4.34Å; H268-F309 AromaticContact CD2-CD1 3.8Å; H268-F309 AromaticContact CD2-CE1 3.3Å; H268-F309 WeakPolarHBondContact CD2-CE1 3.36Å; H268-F309 AromaticContact CD2-CZ 3.57Å; H268-F309 AromaticContact CG-CD1 3.9Å; H268-F309 AromaticContact CG-CE1 3.69Å; P272-F309 HydrophobicContact CB-CD1 4.41Å; P272-F309 HydrophobicContact CB-CE1 4.27Å; P272-F309 HydrophobicContact CG-CD1 3.79Å; P272-F309 HydrophobicContact CG-CD2 4.34Å; P272-F309 HydrophobicContact CG-CE1 3.98Å; P272-F309 HydrophobicContact CG-CG 3.99Å; P272-F309 HydrophobicContact CG-CZ 4.35Å; A306-F309 HydrophobicContact CB-CE2 3.88Å; A306-F309 HydrophobicContact CB-CZ 3.79Å; F309-V312 HydrophobicContact CB-CG2 3.88Å; F309-V312 WeakPolarHBondContact O-CG2 3.3Å
310	H	98.3	Very high	94.3	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.056	15%	0.149	C	C	.	.	S	Bend	trans	-109.1	166.6	-179.2	-169.9	-125.6	0	0	0	111.9	D170 D172 T173 G211 H268 F270 V271 V312	D170-H310 IonicContact OD2-NE2 3.63Å; D172-H310 IonicContact OD1-CD2 2.96Å; D172-H310 PolarHBondContact OD1-CD2 3.35Å; D172-H310 IonicContact OD1-CE1 3.91Å; D172-H310 IonicContact OD1-NE2 2.81Å; D172-H310 PolarHBondContact OD1-NE2 2.83Å; T173-H310 PolarHBondContact OG1-CD2 2.92Å; G211-H310 VanDerWaalsContact CA-CD2 3.47Å; G211-H310 WeakPolarHBondContact CA-CD2 3.45Å; G211-H310 VanDerWaalsContact CA-CG 3.45Å; G211-H310 WeakPolarHBondContact CA-ND1 3.41Å; G211-H310 WeakPolarHBondContact O-CB 3.42Å; G211-H310 PolarHBondContact O-CD2 3.42Å; H268-H310 PolarHBondContact O-N 3.38Å; F270-H310 CarbonylContact C-O 3.55Å; F270-H310 PolarHBondContact O-N 2.79Å; V271-H310 WeakPolarHBondContact CG1-O 3.46Å; V271-H310 PolarHBondContact N-O 2.66Å; H310-V312 PolarHBondContact O-N 3.03Å
311	Y	96.8	Very high	94.7	Very high	45 Å²	45	25.7 Å²	25.7	18%	0.176	13%	0.131	C	C	.	.	S	Bend	trans	59.5	27.3	-171.6	-59.4	-74.3	0	0	0	113.9	H48 D172 P269 F270 V271 D313	H48-Y311 PolarHBondContact CE1-OH 2.9Å; H48-Y311 AromaticContact ND1-CZ 3.61Å; H48-Y311 PolarHBondContact ND1-OH 3.21Å; D172-Y311 PolarHBondContact O-N 3.41Å; P269-Y311 WeakPolarHBondContact O-CE2 3.09Å; F270-Y311 HydrophobicContact CD1-CD2 4.1Å; F270-Y311 HydrophobicContact CD1-CE2 4.16Å; F270-Y311 HydrophobicContact CE1-CE2 4.33Å; V271-Y311 VanDerWaalsContact CG1-C 3.44Å; V271-Y311 WeakPolarHBondContact CG1-O 3.27Å; Y311-D313 PolarHBondContact O-N 2.99Å
312	V	96.8	Very high	95	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.15	C	C	.	.			trans	-81.4	111.1	179.7	-175.4	0	0	0	0	108.9	D172 V271 F309 H310 T316 M317 L320	D172-V312 PolarHBondContact O-N 2.74Å; V271-V312 HydrophobicContact CG1-CG2 4.28Å; F309-V312 HydrophobicContact CB-CG2 3.88Å; F309-V312 WeakPolarHBondContact O-CG2 3.3Å; H310-V312 PolarHBondContact O-N 3.03Å; V312-T316 HydrophobicContact CG1-CG2 3.77Å; V312-M317 HydrophobicContact CB-CG 4.35Å; V312-M317 HydrophobicContact CG1-CB 4.33Å; V312-M317 HydrophobicContact CG1-CG 3.58Å; V312-M317 WeakPolarHBondContact O-CE 3.44Å; V312-L320 HydrophobicContact CG1-CD1 3.9Å; V312-L320 HydrophobicContact CG2-CD1 4.29Å
313	D	93.9	Very high	95	Very high	44 Å²	44	35 Å²	35	24%	0.235	17%	0.171	C	C	.	.			trans	-71.8	169.3	174.3	62.3	45.5	0	0	0	113	H51 Y311 M315 T316 M317	H51-D313 IonicContact ND1-OD2 3.65Å; H51-D313 PolarHBondContact ND1-OD2 3.19Å; H51-D313 VanDerWaalsContact ND1-OD2 3.15Å; Y311-D313 PolarHBondContact O-N 2.99Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.27Å; D313-M315 PolarHBondContact OD1-N 3.05Å; D313-T316 PolarHBondContact O-N 3.28Å; D313-T316 VanDerWaalsContact O-N 3.15Å; D313-T316 WeakPolarHBondContact OD1-CB 3.12Å; D313-T316 PolarHBondContact OD1-N 3.45Å; D313-T316 PolarHBondContact OD1-OG1 3.1Å; D313-T316 PolarHBondContact OD2-OG1 3.31Å; D313-M317 WeakPolarHBondContact O-CG 2.97Å; D313-M317 PolarHBondContact O-N 2.96Å
314	S	92.5	Very high	94.8	Very high	15 Å²	15	36.4 Å²	36.4	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-56.9	-41.4	-174.7	57.8	0	0	0	0	113.2	H107 Y318	H107-S314 WeakPolarHBondContact CD2-CB 3.49Å; S314-Y318 WeakPolarHBondContact O-CD2 3.32Å; S314-Y318 PolarHBondContact O-N 2.87Å
315	M	91.1	Very high	94.7	Very high	90 Å²	90	34.2 Å²	34.2	44%	0.443	16%	0.163	S	C	.	.	H	α-helix	trans	-68.5	-42.9	178.3	-65.4	-56.8	-60.2	0	0	111.2	L60 D313 M317 Y318 H319	L60-M315 HydrophobicContact CD1-SD 3.98Å; L60-M315 HydrophobicContact CD2-SD 4.2Å; L60-M315 HydrophobicContact CG-SD 4.49Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.27Å; D313-M315 PolarHBondContact OD1-N 3.05Å; M315-M317 VanDerWaalsContact C-N 3.34Å; M315-M317 PolarHBondContact O-N 3.21Å; M315-Y318 PolarHBondContact O-N 2.92Å; M315-H319 PolarHBondContact O-N 3.31Å
316	T	93.9	Very high	94.4	Very high	21 Å²	21	34.2 Å²	34.2	13%	0.129	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-35.2	178.7	-53.5	0	0	0	0	111.4	V312 D313 Y318 H319 L320	V312-T316 HydrophobicContact CG1-CG2 3.77Å; D313-T316 PolarHBondContact O-N 3.28Å; D313-T316 VanDerWaalsContact O-N 3.15Å; D313-T316 WeakPolarHBondContact OD1-CB 3.12Å; D313-T316 PolarHBondContact OD1-N 3.45Å; D313-T316 PolarHBondContact OD1-OG1 3.1Å; D313-T316 PolarHBondContact OD2-OG1 3.31Å; T316-Y318 VanDerWaalsContact C-N 3.28Å; T316-Y318 PolarHBondContact O-N 2.81Å; T316-H319 PolarHBondContact O-N 3.36Å; T316-L320 HydrophobicContact CG2-CD1 4.32Å; T316-L320 HydrophobicContact CG2-CG 4.35Å; T316-L320 WeakPolarHBondContact O-CB 3.47Å; T316-L320 WeakPolarHBondContact O-CG 3.46Å; T316-L320 PolarHBondContact O-N 3.09Å
317	M	94.9	Very high	94	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-57.2	-43.4	172.1	-70	-169.9	-176.6	0	0	111.4	H107 V108 T111 D171 Y174 V312 D313 M315 L320 E321	H107-M317 HydrophobicContact CB-SD 4.06Å; V108-M317 HydrophobicContact CG2-CE 3.61Å; V108-M317 HydrophobicContact CG2-SD 3.79Å; T111-M317 HydrophobicContact CG2-CB 4.45Å; D171-M317 WeakPolarHBondContact O-CE 3.5Å; Y174-M317 HydrophobicContact CD2-CB 4.12Å; Y174-M317 HydrophobicContact CD2-CG 4.17Å; Y174-M317 WeakPolarHBondContact CE2-O 3.37Å; V312-M317 HydrophobicContact CB-CG 4.35Å; V312-M317 HydrophobicContact CG1-CB 4.33Å; V312-M317 HydrophobicContact CG1-CG 3.58Å; V312-M317 WeakPolarHBondContact O-CE 3.44Å; D313-M317 WeakPolarHBondContact O-CG 2.97Å; D313-M317 PolarHBondContact O-N 2.96Å; M315-M317 VanDerWaalsContact C-N 3.34Å; M315-M317 PolarHBondContact O-N 3.21Å; M317-L320 PolarHBondContact O-N 2.96Å; M317-E321 WeakPolarHBondContact O-CB 3.38Å; M317-E321 PolarHBondContact O-N 3.22Å
318	Y	94.5	Very high	93.3	Very high	18 Å²	18	42.7 Å²	42.7	7%	0.071	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-35.9	178	-64.5	-44.1	0	0	0	113.3	L60 M64 F66 H107 A110 T111 S314 M315 T316 Y322	L60-Y318 HydrophobicContact CD1-CD2 4.2Å; L60-Y318 HydrophobicContact CD1-CE2 3.62Å; M64-Y318 HydrophobicContact CB-CD1 4.5Å; M64-Y318 HydrophobicContact CB-CE1 3.71Å; M64-Y318 HydrophobicContact CE-CD1 4.49Å; M64-Y318 HydrophobicContact CE-CG 4.47Å; M64-Y318 HydrophobicContact CG-CD1 4.45Å; M64-Y318 HydrophobicContact CG-CD2 4.41Å; M64-Y318 HydrophobicContact CG-CE1 3.85Å; M64-Y318 HydrophobicContact CG-CE2 3.86Å; F66-Y318 HydrophobicContact CD2-CD1 4.38Å; F66-Y318 AromaticContact CE2-CD1 3.34Å; F66-Y318 HydrophobicContact CE2-CD1 3.34Å; F66-Y318 AromaticContact CE2-CE1 3.88Å; F66-Y318 HydrophobicContact CE2-CE1 3.88Å; F66-Y318 HydrophobicContact CE2-CG 4.17Å; F66-Y318 AromaticContact CZ-CD1 3.94Å; F66-Y318 HydrophobicContact CZ-CD1 3.94Å; F66-Y318 HydrophobicContact CZ-CG 4.37Å; H107-Y318 AromaticContact ND1-CE2 3.36Å; H107-Y318 WeakPolarHBondContact ND1-CE2 3.47Å; H107-Y318 AromaticContact ND1-CZ 3.32Å; H107-Y318 VanDerWaalsContact ND1-CZ 3.32Å; H107-Y318 PolarHBondContact ND1-OH 3.34Å; A110-Y318 HydrophobicContact CB-CE1 4.22Å; T111-Y318 HydrophobicContact CG2-CD1 3.33Å; T111-Y318 HydrophobicContact CG2-CE1 3.44Å; T111-Y318 VanDerWaalsContact CG2-CE1 3.44Å; S314-Y318 WeakPolarHBondContact O-CD2 3.32Å; S314-Y318 PolarHBondContact O-N 2.87Å; M315-Y318 PolarHBondContact O-N 2.92Å; T316-Y318 VanDerWaalsContact C-N 3.28Å; T316-Y318 PolarHBondContact O-N 2.81Å; Y318-Y322 WeakPolarHBondContact O-CB 3.38Å; Y318-Y322 PolarHBondContact O-N 2.99Å
319	H	94.6	Very high	92.7	Very high	110 Å²	110	46.4 Å²	46.4	51%	0.509	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-47	171.5	-66.5	158.1	0	0	0	111.3	M315 T316 Y322 L323	M315-H319 PolarHBondContact O-N 3.31Å; T316-H319 PolarHBondContact O-N 3.36Å; H319-Y322 PolarHBondContact O-N 3.46Å; H319-L323 WeakPolarHBondContact O-CB 3.46Å; H319-L323 WeakPolarHBondContact O-CG 3.48Å; H319-L323 PolarHBondContact O-N 3.27Å
320	L	95.6	Very high	92.1	Very high	21 Å²	21	57 Å²	57	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-44.8	177.6	-70.6	175.6	0	0	0	111.5	Y174 P272 V312 T316 M317 Y322 L323 I324	Y174-L320 HydrophobicContact CD1-CB 4.21Å; Y174-L320 HydrophobicContact CD1-CD1 4.01Å; Y174-L320 HydrophobicContact CD2-CB 4.14Å; Y174-L320 HydrophobicContact CD2-CD1 4.26Å; Y174-L320 HydrophobicContact CE1-CB 4.04Å; Y174-L320 HydrophobicContact CE2-CB 3.96Å; Y174-L320 HydrophobicContact CG-CB 4.26Å; Y174-L320 HydrophobicContact CG-CD1 3.8Å; P272-L320 HydrophobicContact CG-CD2 4.25Å; V312-L320 HydrophobicContact CG1-CD1 3.9Å; V312-L320 HydrophobicContact CG2-CD1 4.29Å; T316-L320 HydrophobicContact CG2-CD1 4.32Å; T316-L320 HydrophobicContact CG2-CG 4.35Å; T316-L320 WeakPolarHBondContact O-CB 3.47Å; T316-L320 WeakPolarHBondContact O-CG 3.46Å; T316-L320 PolarHBondContact O-N 3.09Å; M317-L320 PolarHBondContact O-N 2.96Å; L320-Y322 PolarHBondContact O-N 2.81Å; L320-L323 PolarHBondContact O-N 2.81Å; L320-I324 HydrophobicContact CB-CD1 4.1Å; L320-I324 HydrophobicContact CD2-CD1 4.44Å; L320-I324 VanDerWaalsContact O-CB 3.24Å; L320-I324 WeakPolarHBondContact O-CB 3.42Å; L320-I324 WeakPolarHBondContact O-CD1 3.44Å; L320-I324 WeakPolarHBondContact O-CG1 3.02Å; L320-I324 PolarHBondContact O-N 3.34Å
321	E	94.4	Very high	91.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-50.7	175.7	-174.2	71.5	-151.5	0	0	111.1	F66 T111 W112 R115 Y174 M317 Y325 H326	F66-E321 HydrophobicContact CB-CG 4.32Å; F66-E321 HydrophobicContact CD1-CG 3.82Å; F66-E321 HydrophobicContact CD2-CG 3.82Å; F66-E321 HydrophobicContact CE1-CB 4.36Å; F66-E321 HydrophobicContact CE1-CG 4.05Å; F66-E321 HydrophobicContact CE2-CB 4.42Å; F66-E321 HydrophobicContact CE2-CG 4.1Å; F66-E321 HydrophobicContact CG-CG 3.69Å; F66-E321 HydrophobicContact CZ-CB 4.25Å; F66-E321 HydrophobicContact CZ-CG 4.18Å; T111-E321 WeakPolarHBondContact CA-OE2 3.33Å; T111-E321 WeakPolarHBondContact CB-OE2 3.3Å; T111-E321 HydrophobicContact CG2-CB 4.09Å; T111-E321 HydrophobicContact CG2-CG 4.22Å; W112-E321 PolarHBondContact N-OE2 3.27Å; R115-E321 IonicContact CZ-OE1 3.6Å; R115-E321 IonicContact NH1-OE1 3.8Å; R115-E321 PolarHBondContact NH1-OE1 2.97Å; R115-E321 IonicContact NH1-OE2 3.15Å; R115-E321 PolarHBondContact NH1-OE2 2.91Å; R115-E321 IonicContact NH2-OE1 2.86Å; R115-E321 PolarHBondContact NH2-OE1 3Å; Y174-E321 HydrophobicContact CE2-CB 4.36Å; Y174-E321 WeakPolarHBondContact OH-CA 3.41Å; Y174-E321 PolarHBondContact OH-N 3.35Å; Y174-E321 PolarHBondContact OH-OE2 2.84Å; M317-E321 WeakPolarHBondContact O-CB 3.38Å; M317-E321 PolarHBondContact O-N 3.22Å; E321-Y325 WeakPolarHBondContact O-CB 3.34Å; E321-Y325 PolarHBondContact O-N 3.4Å; E321-H326 PolarHBondContact O-CD2 3.36Å
322	Y	92.5	Very high	90.2	Very high	116 Å²	116	62.9 Å²	62.9	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-48.6	177.5	178.5	-107.4	0	0	0	112.4	Y318 H319 L320 I324 H326 L327	Y318-Y322 WeakPolarHBondContact O-CB 3.38Å; Y318-Y322 PolarHBondContact O-N 2.99Å; H319-Y322 PolarHBondContact O-N 3.46Å; L320-Y322 PolarHBondContact O-N 2.81Å; Y322-I324 VanDerWaalsContact C-N 3.33Å; Y322-I324 PolarHBondContact O-N 2.67Å; Y322-H326 HydrophobicContact CD2-CB 3.59Å; Y322-H326 HydrophobicContact CE2-CB 3.96Å; Y322-H326 HydrophobicContact CG-CB 4.42Å; Y322-H326 CarbonylContact O-C 3.58Å; Y322-H326 WeakPolarHBondContact O-CA 3.46Å; Y322-H326 WeakPolarHBondContact O-CB 3.32Å; Y322-H326 PolarHBondContact O-N 3.22Å; Y322-L327 HydrophobicContact CD1-CB 4.28Å; Y322-L327 HydrophobicContact CE1-CB 3.9Å; Y322-L327 HydrophobicContact CE1-CD1 4.01Å; Y322-L327 HydrophobicContact CE1-CD2 4.49Å; Y322-L327 HydrophobicContact CE1-CG 4.35Å; Y322-L327 PolarHBondContact O-N 3.17Å
323	L	92.4	Very high	88.9	Confident	100 Å²	100	70.3 Å²	70.3	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-31.7	-175.7	-69.1	176.5	0	0	0	113.2	H319 L320 L327	H319-L323 WeakPolarHBondContact O-CB 3.46Å; H319-L323 WeakPolarHBondContact O-CG 3.48Å; H319-L323 PolarHBondContact O-N 3.27Å; L320-L323 PolarHBondContact O-N 2.81Å; L323-L327 HydrophobicContact CD2-CD2 3.47Å; L323-L327 VanDerWaalsContact CD2-CD2 3.47Å
324	I	91.3	Very high	87.3	Confident	36 Å²	36	76.8 Å²	76.8	19%	0.185	37%	0.37	C	S	.	.	H	α-helix	trans	-87.4	-41	-176.6	-64.7	164.5	0	0	0	111	Y174 I176 L320 Y322	Y174-I324 HydrophobicContact CE1-CD1 3.7Å; I176-I324 HydrophobicContact CD1-CD1 3.72Å; I176-I324 HydrophobicContact CG1-CD1 3.92Å; I176-I324 HydrophobicContact CG2-CG2 4.46Å; L320-I324 HydrophobicContact CB-CD1 4.1Å; L320-I324 HydrophobicContact CD2-CD1 4.44Å; L320-I324 VanDerWaalsContact O-CB 3.24Å; L320-I324 WeakPolarHBondContact O-CB 3.42Å; L320-I324 WeakPolarHBondContact O-CD1 3.44Å; L320-I324 WeakPolarHBondContact O-CG1 3.02Å; L320-I324 PolarHBondContact O-N 3.34Å; Y322-I324 VanDerWaalsContact C-N 3.33Å; Y322-I324 PolarHBondContact O-N 2.67Å
325	Y	89	Confident	86	Confident	39 Å²	39	82.9 Å²	82.9	15%	0.153	39%	0.39	C	S	.	.	H	α-helix	trans	-115.2	-10.3	-167	-67.5	-66.7	0	0	0	115.5	R115 D178 E321	R115-Y325 WeakPolarHBondContact CD-OH 3.47Å; R115-Y325 VanDerWaalsContact CZ-CD2 3.43Å; R115-Y325 VanDerWaalsContact CZ-CE2 3.45Å; D178-Y325 WeakPolarHBondContact OD2-CE1 3.42Å; D178-Y325 PolarHBondContact OD2-OH 3.36Å; E321-Y325 WeakPolarHBondContact O-CB 3.34Å; E321-Y325 PolarHBondContact O-N 3.4Å
326	H	87.2	Confident	84.6	Confident	21 Å²	21	82.9 Å²	82.9	10%	0.097	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-40.8	-174.9	-64.4	-94.9	0	0	0	113.7	F66 D69 H73 E321 Y322 R328	F66-H326 AromaticContact CD1-CD2 3.76Å; F66-H326 AromaticContact CD1-CE1 3.98Å; F66-H326 AromaticContact CD1-NE2 3.51Å; F66-H326 AromaticContact CG-NE2 3.98Å; F66-H326 PolarHBondContact O-CE1 3.38Å; D69-H326 IonicContact OD1-CE1 3.8Å; D69-H326 PolarHBondContact OD1-CE1 2.86Å; D69-H326 VanDerWaalsContact OD1-CE1 3.31Å; D69-H326 IonicContact OD1-ND1 2.86Å; D69-H326 PolarHBondContact OD1-ND1 2.94Å; D69-H326 IonicContact OD2-CE1 3.09Å; D69-H326 IonicContact OD2-CG 3.89Å; D69-H326 IonicContact OD2-ND1 3.44Å; D69-H326 PolarHBondContact OD2-ND1 3.21Å; H73-H326 AromaticContact NE2-ND1 3.48Å; H73-H326 PolarHBondContact NE2-ND1 3.35Å; E321-H326 PolarHBondContact O-CD2 3.36Å; Y322-H326 HydrophobicContact CD2-CB 3.59Å; Y322-H326 HydrophobicContact CE2-CB 3.96Å; Y322-H326 HydrophobicContact CG-CB 4.42Å; Y322-H326 CarbonylContact O-C 3.58Å; Y322-H326 WeakPolarHBondContact O-CA 3.46Å; Y322-H326 WeakPolarHBondContact O-CB 3.32Å; Y322-H326 PolarHBondContact O-N 3.22Å; H326-R328 PolarHBondContact O-N 3.18Å
327	L	88.8	Confident	83.2	Confident	81 Å²	81	86.1 Å²	86.1	42%	0.424	40%	0.403	S	S	.	.			trans	-70.3	118.4	-177	-179.2	66	0	0	0	110.6	Y322 L323	Y322-L327 HydrophobicContact CD1-CB 4.28Å; Y322-L327 HydrophobicContact CE1-CB 3.9Å; Y322-L327 HydrophobicContact CE1-CD1 4.01Å; Y322-L327 HydrophobicContact CE1-CD2 4.49Å; Y322-L327 HydrophobicContact CE1-CG 4.35Å; Y322-L327 PolarHBondContact O-N 3.17Å; L323-L327 HydrophobicContact CD2-CD2 3.47Å; L323-L327 VanDerWaalsContact CD2-CD2 3.47Å
328	R	84.5	Confident	81.6	Confident	105 Å²	105	86.7 Å²	86.7	40%	0.396	41%	0.406	S	S	.	.			trans	-120.5	102.3	179.7	-67.2	-179.9	-67.7	171.9	-6.9	110.6	Q72 H73 D75 H326 Y330	Q72-R328 PolarHBondContact O-NH2 3.17Å; H73-R328 PolarHBondContact ND1-NH2 3.01Å; D75-R328 VanDerWaalsContact CG-NH1 3.28Å; D75-R328 IonicContact OD1-CZ 3.87Å; D75-R328 IonicContact OD1-NH1 3.94Å; D75-R328 PolarHBondContact OD1-NH1 2.04Å; D75-R328 IonicContact OD2-NH1 3.04Å; D75-R328 PolarHBondContact OD2-NH1 2.92Å; H326-R328 PolarHBondContact O-N 3.18Å; R328-Y330 PolarHBondContact O-N 3.14Å
329	P	85.9	Confident	80.1	Confident	77 Å²	77	89.1 Å²	89.1	50%	0.5	42%	0.42	S	S	.	.			trans	-65.6	131.1	171.6	20.7	-24.1	0	0	0	110.2	G331 Y332	P329-G331 PolarHBondContact O-N 3.48Å; P329-Y332 HydrophobicContact CG-CD1 4.22Å; P329-Y332 HydrophobicContact CG-CG 4.01Å; P329-Y332 WeakPolarHBondContact O-CB 3.41Å; P329-Y332 PolarHBondContact O-N 2.92Å; P329-Y332 VanDerWaalsContact O-N 3.15Å
330	Y	84.6	Confident	78.6	Confident	243 Å²	243	86.5 Å²	86.5	95%	0.953	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	137.7	-178.9	-178.7	-96.4	0	0	0	111.8	R328 Y332	R328-Y330 PolarHBondContact O-N 3.14Å; Y330-Y332 PolarHBondContact O-N 3.11Å
331	G	81.3	Confident	76.8	Confident	72 Å²	72	87.9 Å²	87.9	74%	0.742	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-3	-177.9	0	0	0	0	0	114.4	P329	P329-G331 PolarHBondContact O-N 3.48Å
332	Y	74.6	Confident	75.1	Confident	108 Å²	108	92.8 Å²	92.8	42%	0.424	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-86.6	122.5	174.2	-164.9	-107.6	0	0	0	111.2	P329 Y330 R335	P329-Y332 HydrophobicContact CG-CD1 4.22Å; P329-Y332 HydrophobicContact CG-CG 4.01Å; P329-Y332 WeakPolarHBondContact O-CB 3.41Å; P329-Y332 PolarHBondContact O-N 2.92Å; P329-Y332 VanDerWaalsContact O-N 3.15Å; Y330-Y332 PolarHBondContact O-N 3.11Å; Y332-R335 HydrophobicContact CE1-CG 3.84Å; Y332-R335 VanDerWaalsContact OH-CD 3.31Å; Y332-R335 WeakPolarHBondContact OH-CD 3.27Å; Y332-R335 WeakPolarHBondContact OH-CG 3.26Å; Y332-R335 PolarHBondContact OH-NE 3.31Å
333	L	70.2	Confident	73.5	Confident	157 Å²	157	91.1 Å²	91.1	82%	0.822	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-96.9	130.6	169.9	-63.6	172.9	0	0	0	108.7
334	Y	59.8	Low	72.1	Confident	180 Å²	180	91.1 Å²	91.1	71%	0.706	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-59.1	148.2	-171.9	-158.2	-93.1	0	0	0	113.1
335	R	65.6	Low	70.8	Confident	143 Å²	143	95 Å²	95	54%	0.54	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-71.4	150.7	-143.1	-83.8	171.6	-171.5	-171.4	1	118.6	Y332	Y332-R335 HydrophobicContact CE1-CG 3.84Å; Y332-R335 VanDerWaalsContact OH-CD 3.31Å; Y332-R335 WeakPolarHBondContact OH-CD 3.27Å; Y332-R335 WeakPolarHBondContact OH-CG 3.26Å; Y332-R335 PolarHBondContact OH-NE 3.31Å
336	Y	60.8	Low	69.8	Low	90 Å²	90	98.2 Å²	98.2	35%	0.353	48%	0.483	S	S	.	.			trans	46.1	105.6	141.7	-173.1	-111.9	0	0	0	115.6	T261 L305 P338	T261-Y336 PolarHBondContact OG1-OH 3.01Å; L305-Y336 HydrophobicContact CD1-CD1 4.24Å; L305-Y336 HydrophobicContact CD1-CE1 4.12Å; L305-Y336 HydrophobicContact CG-CD1 4.45Å; Y336-P338 HydrophobicContact CD1-CB 4.16Å; Y336-P338 HydrophobicContact CE1-CB 3.63Å; Y336-P338 WeakPolarHBondContact O-CD 3.48Å
337	N	65.1	Low	68.9	Low	89 Å²	89	102.3 Å²	102.3	48%	0.476	50%	0.502	S	S	.	.			trans	-84.2	100.3	165.6	179.9	-6.2	0	0	0	108.7	D339 S340	N337-D339 PolarHBondContact O-N 2.85Å; N337-D339 VanDerWaalsContact O-N 3.16Å; N337-D339 WeakPolarHBondContact OD1-CB 3.19Å; N337-D339 PolarHBondContact OD1-N 3.39Å; N337-S340 VanDerWaalsContact O-CB 3.26Å; N337-S340 WeakPolarHBondContact O-CB 3.26Å; N337-S340 PolarHBondContact O-N 3.41Å; N337-S340 PolarHBondContact O-OG 3.38Å; N337-S340 PolarHBondContact OD1-N 2.94Å
338	P	61.5	Low	68.3	Low	14 Å²	14	102.6 Å²	102.6	9%	0.091	50%	0.504	C	S	.	.	H	α-helix	trans	-61.8	-24.8	-179.1	25	-33.7	0	0	0	112.8	W182 L305 Y336 S340	W182-P338 HydrophobicContact CH2-CB 4.47Å; W182-P338 HydrophobicContact CZ2-CB 3.55Å; W182-P338 HydrophobicContact CZ2-CG 3.71Å; L305-P338 HydrophobicContact CD1-CB 4.12Å; L305-P338 HydrophobicContact CD1-CG 4.21Å; Y336-P338 HydrophobicContact CD1-CB 4.16Å; Y336-P338 HydrophobicContact CE1-CB 3.63Å; Y336-P338 WeakPolarHBondContact O-CD 3.48Å; P338-S340 VanDerWaalsContact C-N 3.32Å
339	D	62.9	Low	67.8	Low	68 Å²	68	103.8 Å²	103.8	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-81.3	-13.6	178.4	-59.3	-42.9	0	0	0	112.3	N337 A341 K342 N343	N337-D339 PolarHBondContact O-N 2.85Å; N337-D339 VanDerWaalsContact O-N 3.16Å; N337-D339 WeakPolarHBondContact OD1-CB 3.19Å; N337-D339 PolarHBondContact OD1-N 3.39Å; D339-A341 VanDerWaalsContact C-N 3.26Å; D339-A341 PolarHBondContact O-N 2.78Å; D339-K342 PolarHBondContact O-N 3.47Å; D339-N343 WeakPolarHBondContact O-CB 3.18Å; D339-N343 PolarHBondContact O-N 2.73Å; D339-N343 PolarHBondContact O-ND2 2.74Å
340	S	62.6	Low	67.4	Low	56 Å²	56	106.6 Å²	106.6	39%	0.392	52%	0.517	S	S	.	.	H	α-helix	trans	-58.9	-38.5	175.6	65.1	0	0	0	0	112.2	N337 P338 N343 L344	N337-S340 VanDerWaalsContact O-CB 3.26Å; N337-S340 WeakPolarHBondContact O-CB 3.26Å; N337-S340 PolarHBondContact O-N 3.41Å; N337-S340 PolarHBondContact O-OG 3.38Å; N337-S340 PolarHBondContact OD1-N 2.94Å; P338-S340 VanDerWaalsContact C-N 3.32Å; S340-N343 PolarHBondContact O-N 3.4Å; S340-L344 WeakPolarHBondContact O-CB 3.36Å; S340-L344 PolarHBondContact O-N 2.87Å
341	A	58.5	Low	67.2	Low	50 Å²	50	100.4 Å²	100.4	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-40.9	177	0	0	0	0	0	112.2	D339 L344 E345	D339-A341 VanDerWaalsContact C-N 3.26Å; D339-A341 PolarHBondContact O-N 2.78Å; A341-L344 PolarHBondContact O-N 2.92Å; A341-E345 PolarHBondContact O-N 2.82Å
342	K	59	Low	67	Low	103 Å²	103	99.3 Å²	99.3	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-43.5	174.3	-78	-174.3	176.9	-179.8	0	111.8	D339 L344 E345 E346	D339-K342 PolarHBondContact O-N 3.47Å; K342-L344 VanDerWaalsContact C-N 3.27Å; K342-L344 PolarHBondContact O-N 3.37Å; K342-E345 PolarHBondContact O-N 3.4Å; K342-E346 WeakPolarHBondContact O-CB 3.24Å; K342-E346 WeakPolarHBondContact O-CG 3.43Å; K342-E346 PolarHBondContact O-N 3.49Å
343	N	58.1	Low	67.3	Low	81 Å²	81	98.8 Å²	98.8	43%	0.433	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-39.1	177.4	-68.5	-23.2	0	0	0	111	D339 S340 Q347	D339-N343 WeakPolarHBondContact O-CB 3.18Å; D339-N343 PolarHBondContact O-N 2.73Å; D339-N343 PolarHBondContact O-ND2 2.74Å; S340-N343 PolarHBondContact O-N 3.4Å; N343-Q347 WeakPolarHBondContact O-CB 3.38Å; N343-Q347 VanDerWaalsContact O-CG 3.26Å; N343-Q347 WeakPolarHBondContact O-CG 3.36Å; N343-Q347 PolarHBondContact O-N 3.32Å
344	L	62	Low	67.9	Low	101 Å²	101	96.9 Å²	96.9	53%	0.529	47%	0.471	S	S	.	.	H	α-helix	trans	-67.2	-43.7	175.5	-139.8	83.8	0	0	0	112	S340 A341 K342 Q347 N348	S340-L344 WeakPolarHBondContact O-CB 3.36Å; S340-L344 PolarHBondContact O-N 2.87Å; A341-L344 PolarHBondContact O-N 2.92Å; K342-L344 VanDerWaalsContact C-N 3.27Å; K342-L344 PolarHBondContact O-N 3.37Å; L344-Q347 PolarHBondContact O-N 2.9Å; L344-N348 WeakPolarHBondContact O-CB 3.38Å; L344-N348 PolarHBondContact O-N 3.42Å; L344-N348 PolarHBondContact O-ND2 3.38Å; L344-N348 PolarHBondContact O-OD1 2.81Å
345	E	64.3	Low	68.8	Low	117 Å²	117	93.6 Å²	93.6	55%	0.547	47%	0.466	S	S	.	.	H	α-helix	trans	-64.2	-40	175.5	-79.5	-172.1	-175.9	0	0	112.7	A341 K342 K349	A341-E345 PolarHBondContact O-N 2.82Å; K342-E345 PolarHBondContact O-N 3.4Å; E345-K349 WeakPolarHBondContact O-CB 3.43Å; E345-K349 VanDerWaalsContact O-CG 3.3Å; E345-K349 WeakPolarHBondContact O-CG 3.35Å; E345-K349 PolarHBondContact O-N 3.41Å
346	E	68.2	Low	69.4	Low	106 Å²	106	91.4 Å²	91.4	50%	0.495	47%	0.465	S	S	.	.	H	α-helix	trans	-68.2	-37.7	175.5	-76.6	-174	-174.8	0	0	112.2	K342 K350	K342-E346 WeakPolarHBondContact O-CB 3.24Å; K342-E346 WeakPolarHBondContact O-CG 3.43Å; K342-E346 PolarHBondContact O-N 3.49Å; E346-K350 WeakPolarHBondContact O-CB 3.24Å; E346-K350 VanDerWaalsContact O-CG 3.29Å; E346-K350 WeakPolarHBondContact O-CG 3.38Å; E346-K350 PolarHBondContact O-N 2.93Å
347	Q	68.4	Low	70.3	Confident	108 Å²	108	95.1 Å²	95.1	51%	0.505	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-51.7	171.6	-81.5	175	-36.5	0	0	110.9	N343 L344 K349 K350 E351	N343-Q347 WeakPolarHBondContact O-CB 3.38Å; N343-Q347 VanDerWaalsContact O-CG 3.26Å; N343-Q347 WeakPolarHBondContact O-CG 3.36Å; N343-Q347 PolarHBondContact O-N 3.32Å; L344-Q347 PolarHBondContact O-N 2.9Å; Q347-K349 VanDerWaalsContact C-N 3.28Å; Q347-K349 PolarHBondContact O-N 2.89Å; Q347-K350 WeakPolarHBondContact O-CB 3.44Å; Q347-K350 PolarHBondContact O-N 2.95Å; Q347-E351 WeakPolarHBondContact O-CG 3.45Å; Q347-E351 PolarHBondContact O-N 3.22Å
348	N	76	Confident	70.9	Confident	87 Å²	87	94.6 Å²	94.6	47%	0.465	48%	0.475	S	S	.	.	H	α-helix	trans	-59.7	-37.8	178.6	-67.9	-15.9	0	0	0	112.1	L344 A352	L344-N348 WeakPolarHBondContact O-CB 3.38Å; L344-N348 PolarHBondContact O-N 3.42Å; L344-N348 PolarHBondContact O-ND2 3.38Å; L344-N348 PolarHBondContact O-OD1 2.81Å; N348-A352 WeakPolarHBondContact O-CB 3.25Å; N348-A352 PolarHBondContact O-N 3.41Å
349	K	75.3	Confident	71.6	Confident	129 Å²	129	99 Å²	99	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-66.6	-40.1	174.4	-79.4	173.2	-177.2	165.6	0	112.2	E345 Q347 L353	E345-K349 WeakPolarHBondContact O-CB 3.43Å; E345-K349 VanDerWaalsContact O-CG 3.3Å; E345-K349 WeakPolarHBondContact O-CG 3.35Å; E345-K349 PolarHBondContact O-N 3.41Å; Q347-K349 VanDerWaalsContact C-N 3.28Å; Q347-K349 PolarHBondContact O-N 2.89Å; K349-L353 WeakPolarHBondContact O-CB 3.35Å; K349-L353 WeakPolarHBondContact O-CD1 3.33Å; K349-L353 PolarHBondContact O-N 2.89Å
350	K	77.3	Confident	72.2	Confident	137 Å²	137	103 Å²	103	60%	0.596	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-44.8	177.1	-77	172.4	-177.7	171.8	0	111.3	E346 Q347 L353 E354	E346-K350 WeakPolarHBondContact O-CB 3.24Å; E346-K350 VanDerWaalsContact O-CG 3.29Å; E346-K350 WeakPolarHBondContact O-CG 3.38Å; E346-K350 PolarHBondContact O-N 2.93Å; Q347-K350 WeakPolarHBondContact O-CB 3.44Å; Q347-K350 PolarHBondContact O-N 2.95Å; K350-L353 WeakPolarHBondContact O-CB 3.36Å; K350-L353 PolarHBondContact O-N 3.42Å; K350-E354 WeakPolarHBondContact O-CB 3.34Å; K350-E354 PolarHBondContact O-N 3.47Å
351	E	80.1	Confident	72.6	Confident	113 Å²	113	105.6 Å²	105.6	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-47.3	175.9	-71.1	174.5	-176.9	0	0	111.3	Q347 L353 E354 D355	Q347-E351 WeakPolarHBondContact O-CG 3.45Å; Q347-E351 PolarHBondContact O-N 3.22Å; E351-L353 VanDerWaalsContact C-N 3.27Å; E351-L353 PolarHBondContact O-N 2.9Å; E351-E354 PolarHBondContact O-N 3.33Å; E351-E354 VanDerWaalsContact O-N 3.1Å; E351-D355 PolarHBondContact O-N 2.91Å
352	A	77.6	Confident	73.3	Confident	48 Å²	48	110.1 Å²	110.1	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-31.1	176.2	0	0	0	0	0	113.5	N348 N356	N348-A352 WeakPolarHBondContact O-CB 3.25Å; N348-A352 PolarHBondContact O-N 3.41Å; A352-N356 WeakPolarHBondContact O-CB 3.36Å; A352-N356 PolarHBondContact O-N 3.47Å; A352-N356 PolarHBondContact O-ND2 3.46Å
353	L	80.5	Confident	74	Confident	98 Å²	98	110.7 Å²	110.7	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-73.3	-34.6	174.6	-105.2	135.1	0	0	0	112.2	K349 K350 E351 R357	K349-L353 WeakPolarHBondContact O-CB 3.35Å; K349-L353 WeakPolarHBondContact O-CD1 3.33Å; K349-L353 PolarHBondContact O-N 2.89Å; K350-L353 WeakPolarHBondContact O-CB 3.36Å; K350-L353 PolarHBondContact O-N 3.42Å; E351-L353 VanDerWaalsContact C-N 3.27Å; E351-L353 PolarHBondContact O-N 2.9Å; L353-R357 WeakPolarHBondContact O-CG 3.37Å; L353-R357 PolarHBondContact O-N 3.02Å
354	E	81.2	Confident	74.5	Confident	117 Å²	117	111.1 Å²	111.1	55%	0.547	54%	0.544	S	S	.	.	H	α-helix	trans	-73.2	-43.9	178.3	-165	161.9	-166.7	0	0	111.3	K350 E351 N356 R357 N358	K350-E354 WeakPolarHBondContact O-CB 3.34Å; K350-E354 PolarHBondContact O-N 3.47Å; E351-E354 PolarHBondContact O-N 3.33Å; E351-E354 VanDerWaalsContact O-N 3.1Å; E354-N356 VanDerWaalsContact C-N 3.31Å; E354-N356 PolarHBondContact O-N 3.47Å; E354-R357 PolarHBondContact O-N 2.95Å; E354-R357 VanDerWaalsContact O-N 3.09Å; E354-N358 VanDerWaalsContact O-CG 3.29Å; E354-N358 PolarHBondContact O-N 3.39Å; E354-N358 PolarHBondContact O-ND2 3.45Å
355	D	80.3	Confident	74.7	Confident	111 Å²	111	112.7 Å²	112.7	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-58.1	-42.4	172.9	-77.6	-17	0	0	0	112.1	E351 R357 N358 L359	E351-D355 PolarHBondContact O-N 2.91Å; D355-R357 PolarHBondContact O-N 2.94Å; D355-N358 PolarHBondContact O-N 2.81Å; D355-L359 WeakPolarHBondContact O-CB 3.5Å; D355-L359 PolarHBondContact O-N 3.05Å
356	N	78	Confident	74.1	Confident	96 Å²	96	116.8 Å²	116.8	51%	0.513	57%	0.574	S	S	.	*	H	α-helix	trans	-66	-33.2	176.2	-86.5	-55.1	0	0	0	113.4	A352 E354 K360	A352-N356 WeakPolarHBondContact O-CB 3.36Å; A352-N356 PolarHBondContact O-N 3.47Å; A352-N356 PolarHBondContact O-ND2 3.46Å; E354-N356 VanDerWaalsContact C-N 3.31Å; E354-N356 PolarHBondContact O-N 3.47Å; N356-K360 WeakPolarHBondContact O-CG 3.36Å; N356-K360 PolarHBondContact O-N 3.04Å
357	R	80.4	Confident	74.4	Confident	169 Å²	169	117.3 Å²	117.3	64%	0.638	58%	0.578	S	S	*	*	H	α-helix	trans	-69.3	-45.2	173.5	-74	-179.7	-149	172.9	6.4	111	L353 E354 D355 L359 K360 Q361	L353-R357 WeakPolarHBondContact O-CG 3.37Å; L353-R357 PolarHBondContact O-N 3.02Å; E354-R357 PolarHBondContact O-N 2.95Å; E354-R357 VanDerWaalsContact O-N 3.09Å; D355-R357 PolarHBondContact O-N 2.94Å; R357-L359 VanDerWaalsContact C-N 3.3Å; R357-L359 PolarHBondContact O-N 2.93Å; R357-K360 PolarHBondContact O-N 3.39Å; R357-Q361 PolarHBondContact O-N 2.9Å
358	N	77.6	Confident	74.7	Confident	77 Å²	77	117.8 Å²	117.8	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-62.9	-37.1	179.4	-68	-24.5	0	0	0	111.8	E354 D355 K362	E354-N358 VanDerWaalsContact O-CG 3.29Å; E354-N358 PolarHBondContact O-N 3.39Å; E354-N358 PolarHBondContact O-ND2 3.45Å; D355-N358 PolarHBondContact O-N 2.81Å; N358-K362 PolarHBondContact O-N 3.36Å; N358-K362 VanDerWaalsContact O-N 3.17Å
359	L	76.2	Confident	74.6	Confident	106 Å²	106	119.5 Å²	119.5	56%	0.555	59%	0.588	S	S	*	*	H	α-helix	trans	-67.3	-43.2	175	-154.6	82.5	0	0	0	112	D355 R357 Q361 K362 I363	D355-L359 WeakPolarHBondContact O-CB 3.5Å; D355-L359 PolarHBondContact O-N 3.05Å; R357-L359 VanDerWaalsContact C-N 3.3Å; R357-L359 PolarHBondContact O-N 2.93Å; L359-Q361 VanDerWaalsContact C-N 3.34Å; L359-Q361 PolarHBondContact O-N 3.31Å; L359-K362 PolarHBondContact O-N 3.12Å; L359-I363 HydrophobicContact CG-CD1 4.41Å; L359-I363 VanDerWaalsContact O-CG1 3.32Å; L359-I363 WeakPolarHBondContact O-CG1 3.48Å; L359-I363 PolarHBondContact O-N 2.95Å; L359-I363 VanDerWaalsContact O-N 3.14Å
360	K	75.3	Confident	74.6	Confident	154 Å²	154	118.9 Å²	118.9	67%	0.67	59%	0.59	S	S	*	*	H	α-helix	trans	-63.9	-38.3	176.8	-76.8	179.9	179.5	-175.2	0	112.4	N356 R357 I363 S364	N356-K360 WeakPolarHBondContact O-CG 3.36Å; N356-K360 PolarHBondContact O-N 3.04Å; R357-K360 PolarHBondContact O-N 3.39Å; K360-I363 PolarHBondContact O-N 2.96Å; K360-S364 PolarHBondContact O-N 3.1Å; K360-S364 VanDerWaalsContact O-N 3.11Å; K360-S364 PolarHBondContact O-OG 3.46Å
361	Q	71.3	Confident	74.4	Confident	109 Å²	109	117.8 Å²	117.8	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-41.5	177.4	-169.3	173.7	-10.5	0	0	112	R357 L359 I363 S364 E365	R357-Q361 PolarHBondContact O-N 2.9Å; L359-Q361 VanDerWaalsContact C-N 3.34Å; L359-Q361 PolarHBondContact O-N 3.31Å; Q361-I363 VanDerWaalsContact C-N 3.28Å; Q361-I363 PolarHBondContact O-N 3.47Å; Q361-S364 WeakPolarHBondContact CA-OG 3.47Å; Q361-S364 PolarHBondContact O-N 3.01Å; Q361-S364 PolarHBondContact O-OG 3.41Å; Q361-E365 PolarHBondContact NE2-OE1 3.1Å; Q361-E365 WeakPolarHBondContact O-CG 3.46Å; Q361-E365 PolarHBondContact O-N 3.44Å
362	K	71.6	Confident	74.1	Confident	145 Å²	145	118.1 Å²	118.1	63%	0.63	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-29	174.2	-77.4	179.1	178.3	177.2	0	114	N358 L359	N358-K362 PolarHBondContact O-N 3.36Å; N358-K362 VanDerWaalsContact O-N 3.17Å; L359-K362 PolarHBondContact O-N 3.12Å
363	I	74.9	Confident	73.8	Confident	116 Å²	116	123.1 Å²	123.1	60%	0.595	61%	0.608	S	S	*	*	H	α-helix	trans	-78.9	-28.1	176.8	-67	166.3	0	0	0	111.3	L359 K360 Q361	L359-I363 HydrophobicContact CG-CD1 4.41Å; L359-I363 VanDerWaalsContact O-CG1 3.32Å; L359-I363 WeakPolarHBondContact O-CG1 3.48Å; L359-I363 PolarHBondContact O-N 2.95Å; L359-I363 VanDerWaalsContact O-N 3.14Å; K360-I363 PolarHBondContact O-N 2.96Å; Q361-I363 VanDerWaalsContact C-N 3.28Å; Q361-I363 PolarHBondContact O-N 3.47Å
364	S	67.4	Low	73.3	Confident	89 Å²	89	125.1 Å²	125.1	62%	0.622	62%	0.615	S	S	*	*	H	α-helix	trans	-81.4	-12.3	176	56.2	0	0	0	0	114.8	K360 Q361	K360-S364 PolarHBondContact O-N 3.1Å; K360-S364 VanDerWaalsContact O-N 3.11Å; K360-S364 PolarHBondContact O-OG 3.46Å; Q361-S364 WeakPolarHBondContact CA-OG 3.47Å; Q361-S364 PolarHBondContact O-N 3.01Å; Q361-S364 PolarHBondContact O-OG 3.41Å
365	E	67	Low	72.6	Confident	135 Å²	135	125.8 Å²	125.8	63%	0.631	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-0.1	-179.9	-71.3	173.1	-175.6	0	0	113.1	Q361	Q361-E365 PolarHBondContact NE2-OE1 3.1Å; Q361-E365 WeakPolarHBondContact O-CG 3.46Å; Q361-E365 PolarHBondContact O-N 3.44Å
366	N	51.7	Low	71.9	Confident	202 Å²	202	127.1 Å²	127.1	100%	1.08	62%	0.623	S	S	*	*			trans	-113.8	0	168.8	-78.7	-34	0	0	0	109.9

Retrieved 366 of 366 residues in 210.9 ms (Link to these results)

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