G4LUV4_SCHMA Loading...

Subfamily C1A non-peptidase homologue (C01 family)

AlphaFold DB , UniProt , Accession G4LUV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 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	40.3	Very low	38.2	Very low	210 Å²	210	169.1 Å²	169.1	100%	1.034	83%	0.827	S	S	*	*				0	97.6	0	-84.3	162.2	65.6	0	0	108.9	F3	M1-F3 HydrophobicContact CE-CE2 3.75Å; M1-F3 HydrophobicContact CE-CZ 3.94Å
2	K	37	Very low	38	Very low	207 Å²	207	169.1 Å²	169.1	90%	0.9	83%	0.832	S	S	*	*			trans	-107.4	106.7	171.6	-78.2	-178	174.5	-179.9	0	106.6	I4	K2-I4 PolarHBondContact O-N 2.86Å
3	F	38.2	Very low	37.7	Very low	171 Å²	171	165.2 Å²	165.2	75%	0.75	82%	0.824	S	S	*	*			trans	-73.8	118	175.4	-76.6	-87.8	0	0	0	108.6	M1	M1-F3 HydrophobicContact CE-CE2 3.75Å; M1-F3 HydrophobicContact CE-CZ 3.94Å
4	I	40.9	Very low	37.8	Very low	151 Å²	151	165.6 Å²	165.6	77%	0.774	83%	0.828	S	S	*	*			trans	-85.6	110.4	170.3	-66.7	171.3	0	0	0	106.6	K2 I6	K2-I4 PolarHBondContact O-N 2.86Å; I4-I6 HydrophobicContact CG2-CG1 4.32Å; I4-I6 PolarHBondContact O-N 3.13Å
5	F	36	Very low	38	Very low	194 Å²	194	161.5 Å²	161.5	85%	0.851	82%	0.816	S	S	*	*			trans	-74	113.3	167.5	-107.3	-96.5	0	0	0	108.4
6	I	40.5	Very low	38.8	Very low	141 Å²	141	161.8 Å²	161.8	72%	0.723	81%	0.813	S	S	*	*			trans	-91.8	119.2	166.6	-60.5	174.5	0	0	0	106.6	I4 L8	I4-I6 HydrophobicContact CG2-CG1 4.32Å; I4-I6 PolarHBondContact O-N 3.13Å; I6-L8 PolarHBondContact O-N 2.96Å
7	P	39.5	Very low	39.1	Very low	103 Å²	103	159.9 Å²	159.9	67%	0.669	81%	0.806	S	S	*	*			trans	-76.5	126.1	174.6	30.4	-28.3	0	0	0	109	I9	P7-I9 PolarHBondContact O-N 3.27Å; P7-I9 VanDerWaalsContact O-N 3.08Å
8	L	35.7	Very low	39.5	Very low	166 Å²	166	153.4 Å²	153.4	87%	0.869	79%	0.786	S	S	*	*			trans	-57	110.4	165	-94.2	97.4	0	0	0	108.8	I6 F10	I6-L8 PolarHBondContact O-N 2.96Å; L8-F10 PolarHBondContact O-N 3.19Å
9	I	42.7	Very low	40	Very low	165 Å²	165	149.8 Å²	149.8	85%	0.846	77%	0.772	S	S	*	*			trans	-73.6	118	166.1	-68.3	175.6	0	0	0	107.4	P7	P7-I9 PolarHBondContact O-N 3.27Å; P7-I9 VanDerWaalsContact O-N 3.08Å
10	F	36	Very low	40.7	Very low	187 Å²	187	145.8 Å²	145.8	82%	0.82	76%	0.758	S	S	*	*			trans	-51.1	137.4	178.6	-98	-107.4	0	0	0	113.1	L8 L12	L8-F10 PolarHBondContact O-N 3.19Å; F10-L12 PolarHBondContact O-N 3.27Å
11	L	32.8	Very low	41.5	Very low	165 Å²	165	146.5 Å²	146.5	86%	0.864	76%	0.755	S	S	*	*			trans	-45.1	115.7	160.5	-87.3	137.7	0	0	0	110.8	V13	L11-V13 PolarHBondContact O-N 3.09Å; L11-V13 VanDerWaalsContact O-N 3.09Å
12	L	36	Very low	42.4	Very low	169 Å²	169	145 Å²	145	89%	0.885	74%	0.738	S	S	*	*			trans	-63.5	105.5	164	-104.9	142.4	0	0	0	108.4	F10 L14	F10-L12 PolarHBondContact O-N 3.27Å; L12-L14 PolarHBondContact O-N 3.37Å; L12-L14 VanDerWaalsContact O-N 3.11Å
13	V	35	Very low	43.6	Very low	119 Å²	119	138.8 Å²	138.8	72%	0.721	72%	0.717	S	S	*	*			trans	-59.3	109.9	163.3	174.4	0	0	0	0	107.4	L11 T15	L11-V13 PolarHBondContact O-N 3.09Å; L11-V13 VanDerWaalsContact O-N 3.09Å; V13-T15 PolarHBondContact O-N 3.33Å
14	L	38.5	Very low	44.6	Very low	170 Å²	170	135.3 Å²	135.3	89%	0.89	71%	0.706	S	S	*	*			trans	-60.7	100.3	168.5	-82.2	162.5	0	0	0	108.5	L12 H16	L12-L14 PolarHBondContact O-N 3.37Å; L12-L14 VanDerWaalsContact O-N 3.11Å; L14-H16 PolarHBondContact O-N 3.2Å
15	T	40.7	Very low	46.3	Very low	104 Å²	104	135.3 Å²	135.3	64%	0.638	70%	0.7	S	S	*	*			trans	-65.4	124	170.6	54.7	0	0	0	0	109.4	V13 N17 G18	V13-T15 PolarHBondContact O-N 3.33Å; T15-N17 PolarHBondContact O-N 2.67Å; T15-G18 PolarHBondContact O-N 3.15Å
16	H	50.6	Low	48.5	Very low	167 Å²	167	128.7 Å²	128.7	77%	0.773	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-6.6	179.8	-139.5	-46.8	0	0	0	114.9	L14 T19	L14-H16 PolarHBondContact O-N 3.2Å; H16-T19 PolarHBondContact O-OG1 3.48Å; H16-T19 VanDerWaalsContact O-OG1 3.1Å
17	N	45.2	Very low	50.7	Low	129 Å²	129	125.5 Å²	125.5	69%	0.69	66%	0.656	S	S	*	*	H	α-helix	trans	-82.7	-16.9	177.3	-85.1	-10	0	0	0	114.5	T15	T15-N17 PolarHBondContact O-N 2.67Å
18	G	46	Very low	53.2	Low	44 Å²	44	125.7 Å²	125.7	45%	0.454	65%	0.651	S	S	.	*	H	α-helix	trans	-73.1	-33.9	179.7	0	0	0	0	0	113.1	T15 R22	T15-G18 PolarHBondContact O-N 3.15Å; G18-R22 VanDerWaalsContact O-CB 3.29Å; G18-R22 WeakPolarHBondContact O-CB 3.24Å; G18-R22 PolarHBondContact O-N 3.37Å
19	T	49.4	Very low	56	Low	84 Å²	84	121.9 Å²	121.9	52%	0.515	63%	0.631	S	S	.	*	H	α-helix	trans	-69	-49.4	179.3	44	0	0	0	0	111.1	H16 K21 R22 T23	H16-T19 PolarHBondContact O-OG1 3.48Å; H16-T19 VanDerWaalsContact O-OG1 3.1Å; T19-K21 PolarHBondContact O-N 2.95Å; T19-R22 PolarHBondContact O-N 2.87Å; T19-T23 PolarHBondContact O-N 2.89Å; T19-T23 PolarHBondContact O-OG1 3.06Å
20	S	53.2	Low	58.6	Low	70 Å²	70	114.4 Å²	114.4	49%	0.49	59%	0.592	S	S	.	*	H	α-helix	trans	-56.7	-49.6	179.5	171.6	0	0	0	0	113.3	R22 T23 L24	S20-R22 VanDerWaalsContact C-N 3.35Å; S20-R22 PolarHBondContact O-N 2.75Å; S20-T23 PolarHBondContact O-N 3.25Å; S20-L24 PolarHBondContact O-N 2.85Å
21	K	56.5	Low	61.4	Low	160 Å²	160	110.2 Å²	110.2	70%	0.696	58%	0.575	S	S	*	*	H	α-helix	trans	-66.4	-34.3	178.9	-80.1	-171.7	177.5	-177.8	0	113.2	T19 K25	T19-K21 PolarHBondContact O-N 2.95Å; K21-K25 PolarHBondContact O-N 3.37Å
22	R	59.7	Low	64.4	Low	179 Å²	179	108.7 Å²	108.7	68%	0.675	56%	0.562	S	S	*	*	H	α-helix	trans	-69.1	-46.4	177	-160.9	176	-161	-177.2	4.3	110	G18 T19 S20 L24 K25 F26	G18-R22 VanDerWaalsContact O-CB 3.29Å; G18-R22 WeakPolarHBondContact O-CB 3.24Å; G18-R22 PolarHBondContact O-N 3.37Å; T19-R22 PolarHBondContact O-N 2.87Å; S20-R22 VanDerWaalsContact C-N 3.35Å; S20-R22 PolarHBondContact O-N 2.75Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L24 PolarHBondContact O-N 3.49Å; R22-K25 PolarHBondContact O-N 3.23Å; R22-F26 HydrophobicContact CG-CD2 4.15Å; R22-F26 HydrophobicContact CG-CE2 3.82Å; R22-F26 VanDerWaalsContact O-CD2 3.28Å; R22-F26 WeakPolarHBondContact O-CD2 3.32Å; R22-F26 PolarHBondContact O-N 2.9Å
23	T	61.9	Low	67.3	Low	77 Å²	77	101 Å²	101	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-58.4	-42.1	177	-50.8	0	0	0	0	112.2	T19 S20 K25 F26 N27	T19-T23 PolarHBondContact O-N 2.89Å; T19-T23 PolarHBondContact O-OG1 3.06Å; S20-T23 PolarHBondContact O-N 3.25Å; T23-K25 PolarHBondContact O-N 2.88Å; T23-F26 PolarHBondContact O-N 3.44Å; T23-N27 PolarHBondContact O-N 3.02Å
24	L	60.1	Low	70.3	Confident	97 Å²	97	96.6 Å²	96.6	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-55.8	-48.1	174.8	-88.7	152.4	0	0	0	112.3	S20 R22 F26 N27 D28	S20-L24 PolarHBondContact O-N 2.85Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L24 PolarHBondContact O-N 3.49Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.27Å; L24-N27 PolarHBondContact O-N 3.31Å; L24-D28 PolarHBondContact O-N 2.79Å
25	K	76.8	Confident	73.1	Confident	152 Å²	152	92.3 Å²	92.3	66%	0.661	48%	0.477	S	S	*	.	H	α-helix	trans	-62.8	-37.2	178.3	-71.5	-170.8	177	-170.6	0	113.4	K21 R22 T23 L29	K21-K25 PolarHBondContact O-N 3.37Å; R22-K25 PolarHBondContact O-N 3.23Å; T23-K25 PolarHBondContact O-N 2.88Å; K25-L29 VanDerWaalsContact O-CG 3.32Å; K25-L29 WeakPolarHBondContact O-CG 3.36Å; K25-L29 PolarHBondContact O-N 3.06Å
26	F	81.6	Confident	75.6	Confident	54 Å²	54	89.7 Å²	89.7	24%	0.237	46%	0.46	C	S	.	.	H	α-helix	trans	-69.1	-37.2	177.2	-82.4	-84.8	0	0	0	111.5	R22 T23 L24 L29 W30 R51 W54 L58	R22-F26 HydrophobicContact CG-CD2 4.15Å; R22-F26 HydrophobicContact CG-CE2 3.82Å; R22-F26 VanDerWaalsContact O-CD2 3.28Å; R22-F26 WeakPolarHBondContact O-CD2 3.32Å; R22-F26 PolarHBondContact O-N 2.9Å; T23-F26 PolarHBondContact O-N 3.44Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.27Å; F26-L29 PolarHBondContact O-N 3.5Å; F26-W30 PolarHBondContact O-N 3.4Å; F26-R51 PolarHBondContact O-NH2 2.99Å; F26-W54 HydrophobicContact CD1-CZ3 4.35Å; F26-L58 HydrophobicContact CD1-CD2 3.78Å; F26-L58 HydrophobicContact CE1-CD2 3.45Å; F26-L58 VanDerWaalsContact CE1-CD2 3.45Å; F26-L58 HydrophobicContact CE1-CG 4.45Å
27	N	88	Confident	77.7	Confident	75 Å²	75	83.3 Å²	83.3	40%	0.401	43%	0.43	S	S	.	.	H	α-helix	trans	-66.4	-41.7	177.5	-71.8	-6.4	0	0	0	111.3	T23 L24 L29 W30 E31 R51	T23-N27 PolarHBondContact O-N 3.02Å; L24-N27 PolarHBondContact O-N 3.31Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 2.93Å; N27-W30 VanDerWaalsContact O-CB 3.23Å; N27-W30 WeakPolarHBondContact O-CB 3.43Å; N27-W30 PolarHBondContact O-N 2.87Å; N27-W30 VanDerWaalsContact O-N 3.13Å; N27-E31 PolarHBondContact O-N 2.68Å; N27-R51 PolarHBondContact OD1-NH2 3.11Å; N27-R51 VanDerWaalsContact OD1-NH2 3.11Å
28	D	91.7	Very high	80.1	Confident	107 Å²	107	82.9 Å²	82.9	57%	0.572	43%	0.432	S	S	*	.	H	α-helix	trans	-61.7	-40.1	175.2	-60.9	-25.4	0	0	0	111.8	L24 W30 K32	L24-D28 PolarHBondContact O-N 2.79Å; D28-W30 VanDerWaalsContact C-N 3.34Å; D28-K32 VanDerWaalsContact O-CB 3.28Å; D28-K32 WeakPolarHBondContact O-CB 3.42Å; D28-K32 PolarHBondContact O-N 3.35Å
29	L	94.2	Very high	82.4	Confident	86 Å²	86	83.1 Å²	83.1	45%	0.45	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-36	175.5	-72.2	172.6	0	0	0	112.6	K25 F26 N27 W33 W54	K25-L29 VanDerWaalsContact O-CG 3.32Å; K25-L29 WeakPolarHBondContact O-CG 3.36Å; K25-L29 PolarHBondContact O-N 3.06Å; F26-L29 PolarHBondContact O-N 3.5Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 2.93Å; L29-W33 WeakPolarHBondContact O-CB 3.4Å; L29-W33 PolarHBondContact O-N 2.66Å; L29-W54 HydrophobicContact CB-CH2 3.92Å
30	W	96.2	Very high	84.6	Confident	7 Å²	7	87.9 Å²	87.9	3%	0.027	44%	0.437	C	S	.	.	H	α-helix	trans	-60.4	-55.8	174.5	-175.4	-129.9	0	0	0	111.7	F26 N27 D28 K32 W33 K34 Y41 E47 R50 R51 W54 D84	F26-W30 PolarHBondContact O-N 3.4Å; N27-W30 VanDerWaalsContact O-CB 3.23Å; N27-W30 WeakPolarHBondContact O-CB 3.43Å; N27-W30 PolarHBondContact O-N 2.87Å; N27-W30 VanDerWaalsContact O-N 3.13Å; D28-W30 VanDerWaalsContact C-N 3.34Å; W30-K32 VanDerWaalsContact C-N 3.26Å; W30-K32 PolarHBondContact O-N 2.72Å; W30-W33 AromaticContact CE3-CE3 3.74Å; W30-W33 HydrophobicContact CE3-CE3 3.74Å; W30-W33 HydrophobicContact CE3-CZ3 4.11Å; W30-W33 HydrophobicContact CH2-CE3 4.26Å; W30-W33 AromaticContact CH2-CZ3 3.79Å; W30-W33 HydrophobicContact CH2-CZ3 3.79Å; W30-W33 AromaticContact CZ3-CE3 3.48Å; W30-W33 HydrophobicContact CZ3-CE3 3.48Å; W30-W33 VanDerWaalsContact CZ3-CE3 3.48Å; W30-W33 HydrophobicContact CZ3-CH2 4.35Å; W30-W33 AromaticContact CZ3-CZ3 3.37Å; W30-W33 HydrophobicContact CZ3-CZ3 3.37Å; W30-W33 PolarHBondContact O-N 3.12Å; W30-W33 VanDerWaalsContact O-N 3.1Å; W30-K34 HydrophobicContact CD2-CD 4.28Å; W30-K34 HydrophobicContact CD2-CG 4.13Å; W30-K34 HydrophobicContact CE3-CG 4.43Å; W30-K34 HydrophobicContact CH2-CG 4.4Å; W30-K34 HydrophobicContact CZ2-CD 3.83Å; W30-K34 HydrophobicContact CZ2-CG 4.09Å; W30-K34 PolarHBondContact O-N 2.99Å; W30-Y41 AromaticContact CH2-CE2 3.85Å; W30-Y41 HydrophobicContact CH2-CE2 3.85Å; W30-Y41 AromaticContact CH2-CZ 3.82Å; W30-Y41 WeakPolarHBondContact CH2-OH 3.49Å; W30-Y41 HydrophobicContact CZ2-CD2 4.49Å; W30-Y41 AromaticContact CZ2-CE2 3.51Å; W30-Y41 HydrophobicContact CZ2-CE2 3.51Å; W30-Y41 AromaticContact CZ2-CZ 3.99Å; W30-E47 HydrophobicContact CZ2-CG 4.03Å; W30-E47 PolarHBondContact NE1-OE1 3.34Å; W30-R50 HydrophobicContact CH2-CB 4.25Å; W30-R51 VanDerWaalsContact CB-CZ 3.41Å; W30-R51 VanDerWaalsContact CD2-CD 3.49Å; W30-R51 HydrophobicContact CH2-CB 4.24Å; W30-R51 HydrophobicContact CZ2-CB 3.89Å; W30-W54 HydrophobicContact CE3-CB 4.09Å; W30-W54 AromaticContact CE3-CD1 3.94Å; W30-W54 AromaticContact CE3-CD2 3.82Å; W30-W54 HydrophobicContact CE3-CD2 3.82Å; W30-W54 HydrophobicContact CE3-CE3 4.32Å; W30-W54 AromaticContact CE3-CG 3.7Å; W30-W54 HydrophobicContact CE3-CG 3.7Å; W30-W54 HydrophobicContact CH2-CB 4.32Å; W30-W54 HydrophobicContact CZ3-CB 3.49Å; W30-W54 VanDerWaalsContact CZ3-CB 3.49Å; W30-W54 AromaticContact CZ3-CD1 3.57Å; W30-W54 HydrophobicContact CZ3-CD2 4.08Å; W30-W54 AromaticContact CZ3-CG 3.44Å; W30-W54 HydrophobicContact CZ3-CG 3.44Å; W30-W54 VanDerWaalsContact CZ3-CG 3.44Å; W30-D84 HydrophobicContact CH2-CB 4.44Å
31	E	96.2	Very high	86.6	Confident	99 Å²	99	86.3 Å²	86.3	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-39.5	-176.3	-66	-53.3	136.8	0	0	110.1	N27 K34 S35	N27-E31 PolarHBondContact O-N 2.68Å; E31-K34 PolarHBondContact O-N 2.9Å; E31-K34 WeakPolarHBondContact OE1-CE 3.29Å; E31-K34 IonicContact OE1-NZ 2.73Å; E31-K34 PolarHBondContact OE1-NZ 2.64Å; E31-K34 WeakPolarHBondContact OE2-CE 3.46Å; E31-K34 IonicContact OE2-NZ 3.84Å; E31-K34 PolarHBondContact OE2-NZ 3.41Å; E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 3.19Å
32	K	95.8	Very high	88.5	Confident	134 Å²	134	84.4 Å²	84.4	58%	0.583	42%	0.422	S	S	*	.	H	α-helix	trans	-63.9	-44.1	174	-174.3	58.1	176.7	178.2	0	111.9	D28 W30 S35 V36	D28-K32 VanDerWaalsContact O-CB 3.28Å; D28-K32 WeakPolarHBondContact O-CB 3.42Å; D28-K32 PolarHBondContact O-N 3.35Å; W30-K32 VanDerWaalsContact C-N 3.26Å; W30-K32 PolarHBondContact O-N 2.72Å; K32-S35 PolarHBondContact O-N 3.22Å; K32-V36 HydrophobicContact CD-CG2 4.35Å; K32-V36 HydrophobicContact CG-CG2 4.49Å; K32-V36 VanDerWaalsContact O-CG2 3.29Å; K32-V36 WeakPolarHBondContact O-CG2 3.45Å; K32-V36 PolarHBondContact O-N 2.91Å
33	W	97.1	Very high	90.2	Very high	7 Å²	7	79.8 Å²	79.8	3%	0.027	41%	0.411	C	S	.	.	H	α-helix	trans	-64.1	-45.5	178.3	173.8	88.7	0	0	0	111.6	L29 W30 S35 V36 Y37 K39 Y41 W54 S80 D84	L29-W33 WeakPolarHBondContact O-CB 3.4Å; L29-W33 PolarHBondContact O-N 2.66Å; W30-W33 AromaticContact CE3-CE3 3.74Å; W30-W33 HydrophobicContact CE3-CE3 3.74Å; W30-W33 HydrophobicContact CE3-CZ3 4.11Å; W30-W33 HydrophobicContact CH2-CE3 4.26Å; W30-W33 AromaticContact CH2-CZ3 3.79Å; W30-W33 HydrophobicContact CH2-CZ3 3.79Å; W30-W33 AromaticContact CZ3-CE3 3.48Å; W30-W33 HydrophobicContact CZ3-CE3 3.48Å; W30-W33 VanDerWaalsContact CZ3-CE3 3.48Å; W30-W33 HydrophobicContact CZ3-CH2 4.35Å; W30-W33 AromaticContact CZ3-CZ3 3.37Å; W30-W33 HydrophobicContact CZ3-CZ3 3.37Å; W30-W33 PolarHBondContact O-N 3.12Å; W30-W33 VanDerWaalsContact O-N 3.1Å; W33-S35 VanDerWaalsContact C-N 3.29Å; W33-S35 PolarHBondContact O-N 3.47Å; W33-V36 PolarHBondContact O-N 2.85Å; W33-V36 VanDerWaalsContact O-N 3.17Å; W33-Y37 AromaticContact CD1-CD2 3.43Å; W33-Y37 VanDerWaalsContact CD1-CD2 3.43Å; W33-Y37 AromaticContact CD1-CE2 3.49Å; W33-Y37 VanDerWaalsContact CD1-CE2 3.49Å; W33-Y37 HydrophobicContact CD2-CD2 4.25Å; W33-Y37 AromaticContact CE2-CD2 3.75Å; W33-Y37 HydrophobicContact CG-CD2 4.06Å; W33-Y37 HydrophobicContact CG-CE2 4.47Å; W33-Y37 HydrophobicContact CZ2-CD2 4.39Å; W33-Y37 AromaticContact NE1-CD2 3.23Å; W33-Y37 AromaticContact NE1-CE2 3.41Å; W33-Y37 PolarHBondContact O-N 2.96Å; W33-K39 HydrophobicContact CE3-CG 4.46Å; W33-K39 HydrophobicContact CH2-CB 4.49Å; W33-K39 HydrophobicContact CH2-CD 3.74Å; W33-K39 HydrophobicContact CH2-CG 3.52Å; W33-K39 HydrophobicContact CZ2-CG 4.31Å; W33-K39 HydrophobicContact CZ3-CB 4.17Å; W33-K39 HydrophobicContact CZ3-CD 4.25Å; W33-K39 HydrophobicContact CZ3-CG 3.64Å; W33-Y41 WeakPolarHBondContact CZ3-OH 3.46Å; W33-W54 HydrophobicContact CB-CZ2 4.16Å; W33-W54 AromaticContact CD1-NE1 3.49Å; W33-W54 AromaticContact CD2-CD1 3.55Å; W33-W54 AromaticContact CD2-NE1 3.15Å; W33-W54 AromaticContact CE2-CD1 3.63Å; W33-W54 AromaticContact CE2-NE1 3.46Å; W33-W54 AromaticContact CE3-CD1 3.71Å; W33-W54 AromaticContact CE3-NE1 3.67Å; W33-W54 HydrophobicContact CG-CZ2 4.31Å; W33-W54 AromaticContact CG-NE1 3.23Å; W33-W54 AromaticContact CZ2-CD1 3.93Å; W33-W54 AromaticContact CZ3-CD1 3.98Å; W33-W54 AromaticContact NE1-NE1 3.58Å; W33-S80 WeakPolarHBondContact CZ2-O 3.44Å; W33-S80 PolarHBondContact NE1-O 3.31Å; W33-D84 HydrophobicContact CH2-CB 3.56Å; W33-D84 WeakPolarHBondContact CH2-OD1 3.47Å; W33-D84 HydrophobicContact CZ2-CB 4.3Å; W33-D84 HydrophobicContact CZ3-CB 4.13Å
34	K	97.3	Very high	91.9	Very high	26 Å²	26	84.3 Å²	84.3	11%	0.113	43%	0.427	C	S	.	.	H	α-helix	trans	-56.4	-45.5	174.3	-73	-169.1	-61.2	-179.5	0	111.1	W30 E31 Y37 T38 K39 Y41 E47	W30-K34 HydrophobicContact CD2-CD 4.28Å; W30-K34 HydrophobicContact CD2-CG 4.13Å; W30-K34 HydrophobicContact CE3-CG 4.43Å; W30-K34 HydrophobicContact CH2-CG 4.4Å; W30-K34 HydrophobicContact CZ2-CD 3.83Å; W30-K34 HydrophobicContact CZ2-CG 4.09Å; W30-K34 PolarHBondContact O-N 2.99Å; E31-K34 PolarHBondContact O-N 2.9Å; E31-K34 WeakPolarHBondContact OE1-CE 3.29Å; E31-K34 IonicContact OE1-NZ 2.73Å; E31-K34 PolarHBondContact OE1-NZ 2.64Å; E31-K34 WeakPolarHBondContact OE2-CE 3.46Å; E31-K34 IonicContact OE2-NZ 3.84Å; E31-K34 PolarHBondContact OE2-NZ 3.41Å; K34-Y37 CarbonylContact O-C 3.5Å; K34-Y37 PolarHBondContact O-N 3.19Å; K34-T38 CarbonylContact O-C 3.58Å; K34-T38 WeakPolarHBondContact O-CA 3.15Å; K34-T38 PolarHBondContact O-N 2.95Å; K34-K39 HydrophobicContact CB-CB 4.14Å; K34-K39 HydrophobicContact CG-CB 4.1Å; K34-K39 PolarHBondContact O-N 2.64Å; K34-Y41 HydrophobicContact CD-CD2 4.37Å; K34-Y41 HydrophobicContact CD-CE2 3.71Å; K34-Y41 HydrophobicContact CG-CE2 4.25Å; K34-E47 IonicContact NZ-OE1 3.48Å; K34-E47 PolarHBondContact NZ-OE1 2.86Å; K34-E47 IonicContact NZ-OE2 2.72Å
35	S	96	Very high	93.7	Very high	81 Å²	81	85.9 Å²	85.9	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-62.9	-43.3	177.1	172.9	0	0	0	0	112.6	E31 K32 W33 Y37 T38	E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 3.19Å; K32-S35 PolarHBondContact O-N 3.22Å; W33-S35 VanDerWaalsContact C-N 3.29Å; W33-S35 PolarHBondContact O-N 3.47Å; S35-Y37 PolarHBondContact O-N 2.9Å; S35-T38 PolarHBondContact O-N 3.24Å
36	V	95	Very high	94.6	Very high	49 Å²	49	80.9 Å²	80.9	30%	0.297	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-39.8	179.8	167.7	0	0	0	0	111.7	K32 W33 K311	K32-V36 HydrophobicContact CD-CG2 4.35Å; K32-V36 HydrophobicContact CG-CG2 4.49Å; K32-V36 VanDerWaalsContact O-CG2 3.29Å; K32-V36 WeakPolarHBondContact O-CG2 3.45Å; K32-V36 PolarHBondContact O-N 2.91Å; W33-V36 PolarHBondContact O-N 2.85Å; W33-V36 VanDerWaalsContact O-N 3.17Å; V36-K311 HydrophobicContact CG1-CD 4.17Å; V36-K311 PolarHBondContact O-NZ 2.68Å
37	Y	94.6	Very high	95.4	Very high	32 Å²	32	81 Å²	81	13%	0.125	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	15.9	-177.7	-65.5	-70.5	0	0	0	113.7	W33 K34 S35 K39 L79 S80 Q81 K311	W33-Y37 AromaticContact CD1-CD2 3.43Å; W33-Y37 VanDerWaalsContact CD1-CD2 3.43Å; W33-Y37 AromaticContact CD1-CE2 3.49Å; W33-Y37 VanDerWaalsContact CD1-CE2 3.49Å; W33-Y37 HydrophobicContact CD2-CD2 4.25Å; W33-Y37 AromaticContact CE2-CD2 3.75Å; W33-Y37 HydrophobicContact CG-CD2 4.06Å; W33-Y37 HydrophobicContact CG-CE2 4.47Å; W33-Y37 HydrophobicContact CZ2-CD2 4.39Å; W33-Y37 AromaticContact NE1-CD2 3.23Å; W33-Y37 AromaticContact NE1-CE2 3.41Å; W33-Y37 PolarHBondContact O-N 2.96Å; K34-Y37 CarbonylContact O-C 3.5Å; K34-Y37 PolarHBondContact O-N 3.19Å; S35-Y37 PolarHBondContact O-N 2.9Å; Y37-K39 PolarHBondContact O-N 2.99Å; Y37-K39 VanDerWaalsContact O-N 3.14Å; Y37-L79 PolarHBondContact OH-O 3.21Å; Y37-S80 VanDerWaalsContact CZ-C 3.44Å; Y37-S80 WeakPolarHBondContact OH-CA 3.45Å; Y37-Q81 HydrophobicContact CD1-CB 3.62Å; Y37-Q81 HydrophobicContact CE1-CB 4.14Å; Y37-Q81 HydrophobicContact CG-CB 4.14Å; Y37-K311 HydrophobicContact CD1-CD 4.33Å; Y37-K311 HydrophobicContact CE1-CB 3.88Å; Y37-K311 HydrophobicContact CE1-CD 4.08Å
38	T	94.1	Very high	95.8	Very high	120 Å²	120	80.3 Å²	80.3	74%	0.736	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	42.2	176.7	55.6	0	0	0	0	113.6	K34 S35	K34-T38 CarbonylContact O-C 3.58Å; K34-T38 WeakPolarHBondContact O-CA 3.15Å; K34-T38 PolarHBondContact O-N 2.95Å; S35-T38 PolarHBondContact O-N 3.24Å
39	K	95.6	Very high	96.1	Very high	50 Å²	50	80.2 Å²	80.2	22%	0.217	42%	0.419	C	S	.	.			trans	-78.4	132.4	-177	-67.7	-82.2	-178.7	161.8	0	110.9	W33 K34 Y37 Y41 Q81 D84	W33-K39 HydrophobicContact CE3-CG 4.46Å; W33-K39 HydrophobicContact CH2-CB 4.49Å; W33-K39 HydrophobicContact CH2-CD 3.74Å; W33-K39 HydrophobicContact CH2-CG 3.52Å; W33-K39 HydrophobicContact CZ2-CG 4.31Å; W33-K39 HydrophobicContact CZ3-CB 4.17Å; W33-K39 HydrophobicContact CZ3-CD 4.25Å; W33-K39 HydrophobicContact CZ3-CG 3.64Å; K34-K39 HydrophobicContact CB-CB 4.14Å; K34-K39 HydrophobicContact CG-CB 4.1Å; K34-K39 PolarHBondContact O-N 2.64Å; Y37-K39 PolarHBondContact O-N 2.99Å; Y37-K39 VanDerWaalsContact O-N 3.14Å; K39-Y41 HydrophobicContact CB-CE2 4.46Å; K39-Q81 WeakPolarHBondContact CE-O 3.31Å; K39-Q81 PolarHBondContact NZ-O 2.72Å; K39-D84 IonicContact NZ-OD1 3.73Å; K39-D84 PolarHBondContact NZ-OD1 3Å; K39-D84 IonicContact NZ-OD2 2.65Å; K39-D84 PolarHBondContact NZ-OD2 2.83Å
40	Q	94.2	Very high	96.3	Very high	183 Å²	183	78.1 Å²	78.1	86%	0.855	41%	0.405	S	S	*	.			trans	-134.1	141.4	172.4	-63.5	-173.2	-5.9	0	0	107.8
41	Y	96.4	Very high	96.3	Very high	38 Å²	38	79.1 Å²	79.1	15%	0.149	41%	0.409	C	S	.	.			trans	-119.2	151.3	-178.9	-56.7	-61.1	0	0	0	109.2	W30 W33 K34 K39 D43 E46 E47 R50 D84	W30-Y41 AromaticContact CH2-CE2 3.85Å; W30-Y41 HydrophobicContact CH2-CE2 3.85Å; W30-Y41 AromaticContact CH2-CZ 3.82Å; W30-Y41 WeakPolarHBondContact CH2-OH 3.49Å; W30-Y41 HydrophobicContact CZ2-CD2 4.49Å; W30-Y41 AromaticContact CZ2-CE2 3.51Å; W30-Y41 HydrophobicContact CZ2-CE2 3.51Å; W30-Y41 AromaticContact CZ2-CZ 3.99Å; W33-Y41 WeakPolarHBondContact CZ3-OH 3.46Å; K34-Y41 HydrophobicContact CD-CD2 4.37Å; K34-Y41 HydrophobicContact CD-CE2 3.71Å; K34-Y41 HydrophobicContact CG-CE2 4.25Å; K39-Y41 HydrophobicContact CB-CE2 4.46Å; Y41-D43 VanDerWaalsContact C-N 3.29Å; Y41-D43 PolarHBondContact O-N 2.8Å; Y41-E46 WeakPolarHBondContact CA-OE2 3.43Å; Y41-E46 HydrophobicContact CD1-CG 4.46Å; Y41-E47 HydrophobicContact CD2-CB 3.63Å; Y41-E47 HydrophobicContact CD2-CG 3.56Å; Y41-E47 HydrophobicContact CE2-CB 4.45Å; Y41-E47 HydrophobicContact CE2-CG 4.01Å; Y41-E47 HydrophobicContact CG-CB 4.01Å; Y41-E47 HydrophobicContact CG-CG 4.42Å; Y41-R50 HydrophobicContact CD1-CB 4.2Å; Y41-R50 HydrophobicContact CD1-CG 3.72Å; Y41-R50 HydrophobicContact CE1-CB 3.63Å; Y41-R50 HydrophobicContact CE1-CG 3.43Å; Y41-R50 VanDerWaalsContact CE1-CG 3.43Å; Y41-R50 HydrophobicContact CE2-CB 4.4Å; Y41-D84 WeakPolarHBondContact CE1-OD2 3.48Å; Y41-D84 PolarHBondContact OH-OD2 3.2Å
42	T	95.5	Very high	96.4	Very high	119 Å²	119	84.1 Å²	84.1	73%	0.73	42%	0.423	S	S	*	.	S	Bend	trans	-66.1	-35.1	-175.3	56	0	0	0	0	112.2	E46	T42-E46 PolarHBondContact N-OE2 2.91Å; T42-E46 PolarHBondContact OG1-OE2 3.08Å
43	D	96.5	Very high	96.5	Very high	83 Å²	83	78.5 Å²	78.5	44%	0.444	40%	0.4	S	S	.	.	S	Bend	trans	-159.3	174.9	-176	53	66.7	0	0	0	111.5	Y41 D45 E46 E47	Y41-D43 VanDerWaalsContact C-N 3.29Å; Y41-D43 PolarHBondContact O-N 2.8Å; D43-D45 VanDerWaalsContact C-N 3.27Å; D43-D45 PolarHBondContact O-N 2.92Å; D43-D45 WeakPolarHBondContact OD1-CA 3.31Å; D43-D45 WeakPolarHBondContact OD1-CB 3.14Å; D43-D45 PolarHBondContact OD1-N 3.45Å; D43-E46 PolarHBondContact O-N 3.28Å; D43-E46 PolarHBondContact OD1-N 3.03Å; D43-E47 PolarHBondContact O-N 2.81Å
44	E	96.6	Very high	96.5	Very high	172 Å²	172	78.1 Å²	78.1	80%	0.804	40%	0.398	S	S	*	.	H	α-helix	trans	-65.9	-28	-179.4	-64.5	-175.5	174.2	0	0	113	A48	E44-A48 WeakPolarHBondContact O-CB 3.45Å; E44-A48 PolarHBondContact O-N 2.73Å
45	D	97.4	Very high	96.5	Very high	129 Å²	129	79.4 Å²	79.4	69%	0.69	41%	0.406	S	S	*	.	H	α-helix	trans	-72.5	-45.3	179.4	-74	-31.1	0	0	0	110.4	D43 A48 I49	D43-D45 VanDerWaalsContact C-N 3.27Å; D43-D45 PolarHBondContact O-N 2.92Å; D43-D45 WeakPolarHBondContact OD1-CA 3.31Å; D43-D45 WeakPolarHBondContact OD1-CB 3.14Å; D43-D45 PolarHBondContact OD1-N 3.45Å; D45-A48 PolarHBondContact O-N 2.76Å; D45-I49 WeakPolarHBondContact O-CG1 3.34Å; D45-I49 PolarHBondContact O-N 2.89Å; D45-I49 VanDerWaalsContact O-N 3.09Å
46	E	97.4	Very high	96.5	Very high	48 Å²	48	80.5 Å²	80.5	22%	0.224	40%	0.401	C	S	.	.	H	α-helix	trans	-59.3	-48.2	171.8	-165.7	-159	172.6	0	0	110.3	Y41 T42 D43 A48 I49 R50	Y41-E46 WeakPolarHBondContact CA-OE2 3.43Å; Y41-E46 HydrophobicContact CD1-CG 4.46Å; T42-E46 PolarHBondContact N-OE2 2.91Å; T42-E46 PolarHBondContact OG1-OE2 3.08Å; D43-E46 PolarHBondContact O-N 3.28Å; D43-E46 PolarHBondContact OD1-N 3.03Å; E46-A48 VanDerWaalsContact C-N 3.28Å; E46-A48 PolarHBondContact O-N 3.49Å; E46-I49 PolarHBondContact O-N 2.89Å; E46-I49 VanDerWaalsContact O-N 3.11Å; E46-R50 HydrophobicContact CG-CG 4.05Å; E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 WeakPolarHBondContact O-CG 3.4Å; E46-R50 PolarHBondContact O-N 2.78Å; E46-R50 IonicContact OE1-NE 3.63Å; E46-R50 PolarHBondContact OE1-NE 3.3Å; E46-R50 IonicContact OE1-NH2 2.98Å
47	E	97.7	Very high	96.6	Very high	56 Å²	56	78.2 Å²	78.2	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-58.1	-41.7	179.4	-178.7	163.3	175.5	0	0	111.6	W30 K34 Y41 D43 I49 R50 R51	W30-E47 HydrophobicContact CZ2-CG 4.03Å; W30-E47 PolarHBondContact NE1-OE1 3.34Å; K34-E47 IonicContact NZ-OE1 3.48Å; K34-E47 PolarHBondContact NZ-OE1 2.86Å; K34-E47 IonicContact NZ-OE2 2.72Å; Y41-E47 HydrophobicContact CD2-CB 3.63Å; Y41-E47 HydrophobicContact CD2-CG 3.56Å; Y41-E47 HydrophobicContact CE2-CB 4.45Å; Y41-E47 HydrophobicContact CE2-CG 4.01Å; Y41-E47 HydrophobicContact CG-CB 4.01Å; Y41-E47 HydrophobicContact CG-CG 4.42Å; D43-E47 PolarHBondContact O-N 2.81Å; E47-I49 PolarHBondContact O-N 3Å; E47-R50 PolarHBondContact O-N 3.09Å; E47-R51 WeakPolarHBondContact O-CB 3.44Å; E47-R51 PolarHBondContact O-N 2.86Å
48	A	97.1	Very high	96.7	Very high	60 Å²	60	77.3 Å²	77.3	50%	0.496	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-39.2	177.4	0	0	0	0	0	112.6	E44 D45 E46 R52	E44-A48 WeakPolarHBondContact O-CB 3.45Å; E44-A48 PolarHBondContact O-N 2.73Å; D45-A48 PolarHBondContact O-N 2.76Å; E46-A48 VanDerWaalsContact C-N 3.28Å; E46-A48 PolarHBondContact O-N 3.49Å; A48-R52 PolarHBondContact O-N 2.92Å; A48-R52 VanDerWaalsContact O-N 3.08Å
49	I	97.8	Very high	96.8	Very high	105 Å²	105	76 Å²	76	54%	0.538	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-51.3	174.8	-67.9	166	0	0	0	110.1	D45 E46 E47 R51 R52 I53	D45-I49 WeakPolarHBondContact O-CG1 3.34Å; D45-I49 PolarHBondContact O-N 2.89Å; D45-I49 VanDerWaalsContact O-N 3.09Å; E46-I49 PolarHBondContact O-N 2.89Å; E46-I49 VanDerWaalsContact O-N 3.11Å; E47-I49 PolarHBondContact O-N 3Å; I49-R51 VanDerWaalsContact C-N 3.31Å; I49-R51 PolarHBondContact O-N 2.93Å; I49-R52 WeakPolarHBondContact O-CB 3.42Å; I49-R52 PolarHBondContact O-N 3Å; I49-I53 HydrophobicContact CG2-CD1 4.04Å; I49-I53 WeakPolarHBondContact O-CG1 3.33Å; I49-I53 PolarHBondContact O-N 3.06Å
50	R	97.8	Very high	96.9	Very high	42 Å²	42	76.3 Å²	76.3	16%	0.158	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-41.9	180	-65.7	-75.4	177.1	-148.4	0.6	111.5	W30 Y41 E46 E47 R52 I53 W54 D84 E89	W30-R50 HydrophobicContact CH2-CB 4.25Å; Y41-R50 HydrophobicContact CD1-CB 4.2Å; Y41-R50 HydrophobicContact CD1-CG 3.72Å; Y41-R50 HydrophobicContact CE1-CB 3.63Å; Y41-R50 HydrophobicContact CE1-CG 3.43Å; Y41-R50 VanDerWaalsContact CE1-CG 3.43Å; Y41-R50 HydrophobicContact CE2-CB 4.4Å; E46-R50 HydrophobicContact CG-CG 4.05Å; E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 WeakPolarHBondContact O-CG 3.4Å; E46-R50 PolarHBondContact O-N 2.78Å; E46-R50 IonicContact OE1-NE 3.63Å; E46-R50 PolarHBondContact OE1-NE 3.3Å; E46-R50 IonicContact OE1-NH2 2.98Å; E47-R50 PolarHBondContact O-N 3.09Å; R50-R52 VanDerWaalsContact C-N 3.34Å; R50-R52 PolarHBondContact O-N 3.22Å; R50-I53 PolarHBondContact O-N 3.21Å; R50-W54 WeakPolarHBondContact O-CB 3.21Å; R50-W54 PolarHBondContact O-N 3.49Å; R50-D84 HydrophobicContact CB-CB 4.16Å; R50-D84 WeakPolarHBondContact CD-O 3.46Å; R50-D84 PolarHBondContact NH1-O 3.31Å; R50-E89 IonicContact CZ-OE1 3.22Å; R50-E89 IonicContact CZ-OE2 3.9Å; R50-E89 IonicContact NH1-OE1 3.62Å; R50-E89 PolarHBondContact NH1-OE1 2.78Å; R50-E89 IonicContact NH1-OE2 3.56Å; R50-E89 PolarHBondContact NH1-OE2 3.27Å; R50-E89 IonicContact NH2-OE1 2.74Å; R50-E89 PolarHBondContact NH2-OE1 3.32Å
51	R	97.2	Very high	97.1	Very high	28 Å²	28	67.9 Å²	67.9	11%	0.106	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-41.6	173.7	176.4	56.7	170.1	167.5	-8.2	112.5	F26 N27 W30 E47 I49 W54 N55	F26-R51 PolarHBondContact O-NH2 2.99Å; N27-R51 PolarHBondContact OD1-NH2 3.11Å; N27-R51 VanDerWaalsContact OD1-NH2 3.11Å; W30-R51 VanDerWaalsContact CB-CZ 3.41Å; W30-R51 VanDerWaalsContact CD2-CD 3.49Å; W30-R51 HydrophobicContact CH2-CB 4.24Å; W30-R51 HydrophobicContact CZ2-CB 3.89Å; E47-R51 WeakPolarHBondContact O-CB 3.44Å; E47-R51 PolarHBondContact O-N 2.86Å; I49-R51 VanDerWaalsContact C-N 3.31Å; I49-R51 PolarHBondContact O-N 2.93Å; R51-W54 PolarHBondContact O-N 3.44Å; R51-N55 PolarHBondContact NH1-OD1 2.6Å; R51-N55 VanDerWaalsContact O-CG 3.3Å; R51-N55 PolarHBondContact O-N 2.86Å; R51-N55 PolarHBondContact O-ND2 3.13Å
52	R	97	Very high	97.1	Very high	204 Å²	204	70.4 Å²	70.4	77%	0.77	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-43.8	177.6	-178.1	179.2	174.7	169.8	-2	111.4	A48 I49 R50 N55 K56	A48-R52 PolarHBondContact O-N 2.92Å; A48-R52 VanDerWaalsContact O-N 3.08Å; I49-R52 WeakPolarHBondContact O-CB 3.42Å; I49-R52 PolarHBondContact O-N 3Å; R50-R52 VanDerWaalsContact C-N 3.34Å; R50-R52 PolarHBondContact O-N 3.22Å; R52-N55 PolarHBondContact O-N 3.01Å; R52-K56 PolarHBondContact O-N 3.48Å; R52-K56 VanDerWaalsContact O-N 3.14Å
53	I	97.9	Very high	97.2	Very high	16 Å²	16	69.7 Å²	69.7	8%	0.082	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-46.5	175.6	-63.2	166.4	0	0	0	110	I49 R50 N55 K56 N57 D84 I85 E86	I49-I53 HydrophobicContact CG2-CD1 4.04Å; I49-I53 WeakPolarHBondContact O-CG1 3.33Å; I49-I53 PolarHBondContact O-N 3.06Å; R50-I53 PolarHBondContact O-N 3.21Å; I53-N55 VanDerWaalsContact C-N 3.32Å; I53-N55 PolarHBondContact O-N 2.8Å; I53-K56 WeakPolarHBondContact O-CB 3.21Å; I53-K56 PolarHBondContact O-N 3.16Å; I53-K56 VanDerWaalsContact O-N 3.09Å; I53-N57 PolarHBondContact O-N 3.13Å; I53-D84 VanDerWaalsContact CG2-C 3.49Å; I53-I85 VanDerWaalsContact CG2-C 3.49Å; I53-E86 HydrophobicContact CD1-CG 3.88Å; I53-E86 HydrophobicContact CG1-CG 3.87Å; I53-E86 HydrophobicContact CG2-CG 3.92Å
54	W	97.8	Very high	97.3	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-42.9	177	-174.2	101	0	0	0	113	F26 L29 W30 W33 R50 R51 K56 N57 L58 L79 T83 D84	F26-W54 HydrophobicContact CD1-CZ3 4.35Å; L29-W54 HydrophobicContact CB-CH2 3.92Å; W30-W54 HydrophobicContact CE3-CB 4.09Å; W30-W54 AromaticContact CE3-CD1 3.94Å; W30-W54 AromaticContact CE3-CD2 3.82Å; W30-W54 HydrophobicContact CE3-CD2 3.82Å; W30-W54 HydrophobicContact CE3-CE3 4.32Å; W30-W54 AromaticContact CE3-CG 3.7Å; W30-W54 HydrophobicContact CE3-CG 3.7Å; W30-W54 HydrophobicContact CH2-CB 4.32Å; W30-W54 HydrophobicContact CZ3-CB 3.49Å; W30-W54 VanDerWaalsContact CZ3-CB 3.49Å; W30-W54 AromaticContact CZ3-CD1 3.57Å; W30-W54 HydrophobicContact CZ3-CD2 4.08Å; W30-W54 AromaticContact CZ3-CG 3.44Å; W30-W54 HydrophobicContact CZ3-CG 3.44Å; W30-W54 VanDerWaalsContact CZ3-CG 3.44Å; W33-W54 HydrophobicContact CB-CZ2 4.16Å; W33-W54 AromaticContact CD1-NE1 3.49Å; W33-W54 AromaticContact CD2-CD1 3.55Å; W33-W54 AromaticContact CD2-NE1 3.15Å; W33-W54 AromaticContact CE2-CD1 3.63Å; W33-W54 AromaticContact CE2-NE1 3.46Å; W33-W54 AromaticContact CE3-CD1 3.71Å; W33-W54 AromaticContact CE3-NE1 3.67Å; W33-W54 HydrophobicContact CG-CZ2 4.31Å; W33-W54 AromaticContact CG-NE1 3.23Å; W33-W54 AromaticContact CZ2-CD1 3.93Å; W33-W54 AromaticContact CZ3-CD1 3.98Å; W33-W54 AromaticContact NE1-NE1 3.58Å; R50-W54 WeakPolarHBondContact O-CB 3.21Å; R50-W54 PolarHBondContact O-N 3.49Å; R51-W54 PolarHBondContact O-N 3.44Å; W54-K56 VanDerWaalsContact C-N 3.34Å; W54-K56 PolarHBondContact O-N 3.42Å; W54-N57 PolarHBondContact O-N 3.5Å; W54-L58 HydrophobicContact CE3-CB 4.33Å; W54-L58 HydrophobicContact CE3-CD2 4.25Å; W54-L58 HydrophobicContact CH2-CD2 3.42Å; W54-L58 VanDerWaalsContact CH2-CD2 3.42Å; W54-L58 HydrophobicContact CH2-CG 4.49Å; W54-L58 HydrophobicContact CZ2-CD2 4.31Å; W54-L58 HydrophobicContact CZ3-CB 4.23Å; W54-L58 HydrophobicContact CZ3-CD2 3.36Å; W54-L58 HydrophobicContact CZ3-CG 4.41Å; W54-L58 WeakPolarHBondContact O-CB 3.24Å; W54-L58 PolarHBondContact O-N 3.34Å; W54-L79 HydrophobicContact CZ2-CD1 3.94Å; W54-L79 HydrophobicContact CZ2-CD2 3.95Å; W54-T83 VanDerWaalsContact CA-O 3.27Å; W54-T83 WeakPolarHBondContact CA-O 3.23Å; W54-T83 VanDerWaalsContact CD1-CG2 3.41Å; W54-T83 HydrophobicContact CD2-CG2 4.48Å; W54-T83 HydrophobicContact CG-CG2 3.95Å; W54-D84 HydrophobicContact CB-CB 4.36Å
55	N	96.2	Very high	97.4	Very high	52 Å²	52	59.9 Å²	59.9	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.7	-74.4	-28.2	0	0	0	112	R51 R52 I53 L58 I59	R51-N55 PolarHBondContact NH1-OD1 2.6Å; R51-N55 VanDerWaalsContact O-CG 3.3Å; R51-N55 PolarHBondContact O-N 2.86Å; R51-N55 PolarHBondContact O-ND2 3.13Å; R52-N55 PolarHBondContact O-N 3.01Å; I53-N55 VanDerWaalsContact C-N 3.32Å; I53-N55 PolarHBondContact O-N 2.8Å; N55-L58 PolarHBondContact O-N 2.88Å; N55-I59 WeakPolarHBondContact O-CG1 3.2Å; N55-I59 PolarHBondContact O-N 3.05Å; N55-I59 VanDerWaalsContact O-N 3.17Å
56	K	96.8	Very high	97.5	Very high	104 Å²	104	58.5 Å²	58.5	45%	0.452	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-48.5	175.9	176.7	-168.3	171.9	-163.6	0	110.9	R52 I53 W54 L58 I59 K60 E86	R52-K56 PolarHBondContact O-N 3.48Å; R52-K56 VanDerWaalsContact O-N 3.14Å; I53-K56 WeakPolarHBondContact O-CB 3.21Å; I53-K56 PolarHBondContact O-N 3.16Å; I53-K56 VanDerWaalsContact O-N 3.09Å; W54-K56 VanDerWaalsContact C-N 3.34Å; W54-K56 PolarHBondContact O-N 3.42Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 3.29Å; K56-I59 PolarHBondContact O-N 3.18Å; K56-K60 PolarHBondContact O-N 2.65Å; K56-K60 VanDerWaalsContact O-N 3.13Å; K56-E86 WeakPolarHBondContact CD-OE1 3.36Å; K56-E86 IonicContact NZ-OE1 2.81Å; K56-E86 PolarHBondContact NZ-OE1 2.86Å; K56-E86 IonicContact NZ-OE2 2.68Å; K56-E86 PolarHBondContact NZ-OE2 3.01Å
57	N	97.6	Very high	97.5	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.011	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-35.6	179.8	-70.7	-17.6	0	0	0	112	I53 W54 I59 K60 I61 T83 I85	I53-N57 PolarHBondContact O-N 3.13Å; W54-N57 PolarHBondContact O-N 3.5Å; N57-I59 VanDerWaalsContact C-N 3.35Å; N57-I59 PolarHBondContact O-N 3.43Å; N57-K60 WeakPolarHBondContact O-CB 3.36Å; N57-K60 PolarHBondContact O-N 2.87Å; N57-I61 WeakPolarHBondContact O-CD1 3.42Å; N57-I61 VanDerWaalsContact O-CG1 3.28Å; N57-I61 WeakPolarHBondContact O-CG1 3.38Å; N57-I61 PolarHBondContact O-N 2.87Å; N57-T83 HydrophobicContact CB-CG2 3.85Å; N57-T83 WeakPolarHBondContact CB-O 3.16Å; N57-T83 PolarHBondContact ND2-O 2.9Å; N57-I85 PolarHBondContact ND2-O 3.38Å
58	L	96.3	Very high	97.5	Very high	13 Å²	13	63.2 Å²	63.2	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-40.4	173.4	175.1	59.6	0	0	0	112.2	F26 W54 N55 K56 K60 I61 Q62 L79	F26-L58 HydrophobicContact CD1-CD2 3.78Å; F26-L58 HydrophobicContact CE1-CD2 3.45Å; F26-L58 VanDerWaalsContact CE1-CD2 3.45Å; F26-L58 HydrophobicContact CE1-CG 4.45Å; W54-L58 HydrophobicContact CE3-CB 4.33Å; W54-L58 HydrophobicContact CE3-CD2 4.25Å; W54-L58 HydrophobicContact CH2-CD2 3.42Å; W54-L58 VanDerWaalsContact CH2-CD2 3.42Å; W54-L58 HydrophobicContact CH2-CG 4.49Å; W54-L58 HydrophobicContact CZ2-CD2 4.31Å; W54-L58 HydrophobicContact CZ3-CB 4.23Å; W54-L58 HydrophobicContact CZ3-CD2 3.36Å; W54-L58 HydrophobicContact CZ3-CG 4.41Å; W54-L58 WeakPolarHBondContact O-CB 3.24Å; W54-L58 PolarHBondContact O-N 3.34Å; N55-L58 PolarHBondContact O-N 2.88Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-L58 PolarHBondContact O-N 3.29Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-I61 PolarHBondContact O-N 3.2Å; L58-Q62 HydrophobicContact CD1-CG 4.21Å; L58-Q62 VanDerWaalsContact O-CG 3.31Å; L58-Q62 WeakPolarHBondContact O-CG 3.29Å; L58-Q62 PolarHBondContact O-N 3Å; L58-L79 HydrophobicContact CD1-CD2 4.14Å
59	I	96.4	Very high	97.5	Very high	93 Å²	93	66.3 Å²	66.3	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175	-67.8	165.6	0	0	0	110.3	N55 K56 N57 I61 Q62 L63	N55-I59 WeakPolarHBondContact O-CG1 3.2Å; N55-I59 PolarHBondContact O-N 3.05Å; N55-I59 VanDerWaalsContact O-N 3.17Å; K56-I59 PolarHBondContact O-N 3.18Å; N57-I59 VanDerWaalsContact C-N 3.35Å; N57-I59 PolarHBondContact O-N 3.43Å; I59-I61 VanDerWaalsContact C-N 3.34Å; I59-I61 PolarHBondContact O-N 3.49Å; I59-Q62 PolarHBondContact O-N 3.06Å; I59-L63 HydrophobicContact CG2-CD1 3.94Å; I59-L63 HydrophobicContact CG2-CG 4.37Å; I59-L63 WeakPolarHBondContact O-CG 3.15Å; I59-L63 PolarHBondContact O-N 3.49Å
60	K	97.5	Very high	97.5	Very high	55 Å²	55	67.3 Å²	67.3	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-46.4	175.8	-172	-175.1	177.9	-168.3	0	111.6	K56 N57 L58 Q62 L63 H64 E263 N264	K56-K60 PolarHBondContact O-N 2.65Å; K56-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 WeakPolarHBondContact O-CB 3.36Å; N57-K60 PolarHBondContact O-N 2.87Å; L58-K60 VanDerWaalsContact C-N 3.34Å; K60-Q62 VanDerWaalsContact C-N 3.34Å; K60-Q62 PolarHBondContact O-N 2.96Å; K60-L63 PolarHBondContact O-N 3.43Å; K60-H64 WeakPolarHBondContact O-CB 3.21Å; K60-H64 PolarHBondContact O-N 3.46Å; K60-E263 IonicContact NZ-OE1 3.35Å; K60-E263 PolarHBondContact NZ-OE1 2.85Å; K60-E263 IonicContact NZ-OE2 3.53Å; K60-E263 PolarHBondContact NZ-OE2 2.82Å; K60-N264 WeakPolarHBondContact CE-OD1 3.07Å; K60-N264 PolarHBondContact NZ-OD1 3.18Å
61	I	97.9	Very high	97.4	Very high	7 Å²	7	68.4 Å²	68.4	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-57.5	-46.2	175.8	-72	160.9	0	0	0	111.3	N57 L58 I59 N65 I77 G78 L79 T83 H267	N57-I61 WeakPolarHBondContact O-CD1 3.42Å; N57-I61 VanDerWaalsContact O-CG1 3.28Å; N57-I61 WeakPolarHBondContact O-CG1 3.38Å; N57-I61 PolarHBondContact O-N 2.87Å; L58-I61 PolarHBondContact O-N 3.2Å; I59-I61 VanDerWaalsContact C-N 3.34Å; I59-I61 PolarHBondContact O-N 3.49Å; I61-N65 WeakPolarHBondContact O-CB 3.47Å; I61-N65 VanDerWaalsContact O-CG 3.29Å; I61-N65 PolarHBondContact O-N 3.13Å; I61-N65 PolarHBondContact O-ND2 2.87Å; I61-I77 HydrophobicContact CB-CD1 4.43Å; I61-I77 HydrophobicContact CB-CG1 4.25Å; I61-I77 HydrophobicContact CG1-CD1 3.99Å; I61-I77 HydrophobicContact CG1-CG1 4.01Å; I61-I77 HydrophobicContact CG2-CG1 4.29Å; I61-G78 WeakPolarHBondContact CD1-O 3.26Å; I61-L79 HydrophobicContact CD1-CD2 4.01Å; I61-T83 HydrophobicContact CD1-CG2 4.27Å; I61-H267 HydrophobicContact CD1-CB 4.47Å; I61-H267 HydrophobicContact CG1-CB 4.36Å
62	Q	97.1	Very high	97.4	Very high	90 Å²	90	73.4 Å²	73.4	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-43.8	178.8	-73.3	175.3	-15.8	0	0	112.1	L58 I59 K60 N65 L66	L58-Q62 HydrophobicContact CD1-CG 4.21Å; L58-Q62 VanDerWaalsContact O-CG 3.31Å; L58-Q62 WeakPolarHBondContact O-CG 3.29Å; L58-Q62 PolarHBondContact O-N 3Å; I59-Q62 PolarHBondContact O-N 3.06Å; K60-Q62 VanDerWaalsContact C-N 3.34Å; K60-Q62 PolarHBondContact O-N 2.96Å; Q62-N65 PolarHBondContact O-N 2.93Å; Q62-L66 WeakPolarHBondContact O-CG 3.27Å; Q62-L66 PolarHBondContact O-N 2.62Å
63	L	98.1	Very high	97.4	Very high	104 Å²	104	65.5 Å²	65.5	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-42.1	179.1	-69.9	172.8	0	0	0	112.4	I59 K60 L66 R67	I59-L63 HydrophobicContact CG2-CD1 3.94Å; I59-L63 HydrophobicContact CG2-CG 4.37Å; I59-L63 WeakPolarHBondContact O-CG 3.15Å; I59-L63 PolarHBondContact O-N 3.49Å; K60-L63 PolarHBondContact O-N 3.43Å; L63-L66 PolarHBondContact O-N 2.86Å; L63-R67 PolarHBondContact O-N 2.92Å
64	H	98.4	Very high	97.3	Very high	12 Å²	12	66.8 Å²	66.8	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-46.6	174.5	-176.9	94.7	0	0	0	111.2	K60 L66 R67 Y68 E73 Y75 I77	K60-H64 WeakPolarHBondContact O-CB 3.21Å; K60-H64 PolarHBondContact O-N 3.46Å; H64-L66 VanDerWaalsContact C-N 3.3Å; H64-L66 PolarHBondContact O-N 2.98Å; H64-R67 WeakPolarHBondContact O-CA 3.36Å; H64-R67 WeakPolarHBondContact O-CB 3.29Å; H64-R67 PolarHBondContact O-N 3.45Å; H64-Y68 PolarHBondContact O-N 3.37Å; H64-E73 IonicContact CE1-OE2 2.81Å; H64-Y75 AromaticContact CE1-CE2 3.57Å; H64-Y75 AromaticContact CE1-CZ 3.46Å; H64-Y75 VanDerWaalsContact CE1-CZ 3.46Å; H64-Y75 AromaticContact NE2-CD2 3.8Å; H64-Y75 AromaticContact NE2-CE2 3.61Å; H64-Y75 AromaticContact NE2-CZ 3.9Å; H64-Y75 PolarHBondContact NE2-O 3.05Å; H64-I77 HydrophobicContact CB-CD1 3.45Å; H64-I77 VanDerWaalsContact CB-CD1 3.45Å; H64-I77 HydrophobicContact CB-CG1 3.7Å
65	N	98.5	Very high	97.3	Very high	37 Å²	37	67 Å²	67	20%	0.198	34%	0.339	C	S	.	.	H	α-helix	trans	-68.4	-29.4	-178.4	-70.8	-13.9	0	0	0	113	I61 Q62 R67 Y68 D69 I77	I61-N65 WeakPolarHBondContact O-CB 3.47Å; I61-N65 VanDerWaalsContact O-CG 3.29Å; I61-N65 PolarHBondContact O-N 3.13Å; I61-N65 PolarHBondContact O-ND2 2.87Å; Q62-N65 PolarHBondContact O-N 2.93Å; N65-R67 VanDerWaalsContact C-N 3.28Å; N65-R67 PolarHBondContact O-N 3.08Å; N65-Y68 WeakPolarHBondContact O-CB 3.49Å; N65-Y68 PolarHBondContact O-N 3.04Å; N65-D69 WeakPolarHBondContact O-CB 3.39Å; N65-D69 VanDerWaalsContact O-CG 3.23Å; N65-D69 PolarHBondContact O-N 3.48Å; N65-I77 PolarHBondContact ND2-O 3.04Å; N65-I77 PolarHBondContact OD1-N 2.85Å; N65-I77 PolarHBondContact OD1-O 3.05Å
66	L	98.6	Very high	97.5	Very high	101 Å²	101	65 Å²	65	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-35.2	168.9	-73.1	170.8	0	0	0	112	Q62 L63 H64 L70	Q62-L66 WeakPolarHBondContact O-CG 3.27Å; Q62-L66 PolarHBondContact O-N 2.62Å; L63-L66 PolarHBondContact O-N 2.86Å; H64-L66 VanDerWaalsContact C-N 3.3Å; H64-L66 PolarHBondContact O-N 2.98Å; L66-L70 WeakPolarHBondContact O-CD1 3.31Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.29Å; L66-L70 PolarHBondContact O-N 3.01Å
67	R	98.3	Very high	97.5	Very high	119 Å²	119	60 Å²	60	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-70.9	-40.4	174.7	-67.4	172.8	56.1	76.3	4.1	111.5	L63 H64 N65 L70 G71 F72 E73	L63-R67 PolarHBondContact O-N 2.92Å; H64-R67 WeakPolarHBondContact O-CA 3.36Å; H64-R67 WeakPolarHBondContact O-CB 3.29Å; H64-R67 PolarHBondContact O-N 3.45Å; N65-R67 VanDerWaalsContact C-N 3.28Å; N65-R67 PolarHBondContact O-N 3.08Å; R67-L70 CarbonylContact O-C 3.55Å; R67-L70 PolarHBondContact O-N 3.36Å; R67-G71 PolarHBondContact O-N 3.38Å; R67-F72 HydrophobicContact CB-CB 4.13Å; R67-F72 PolarHBondContact O-N 2.76Å; R67-E73 HydrophobicContact CB-CG 3.7Å; R67-E73 IonicContact CZ-OE1 2.72Å; R67-E73 VanDerWaalsContact CZ-OE1 3.23Å; R67-E73 IonicContact NE-OE1 3.36Å; R67-E73 PolarHBondContact NE-OE1 2.8Å; R67-E73 IonicContact NH2-OE1 3.83Å; R67-E73 PolarHBondContact NH2-OE1 3.03Å
68	Y	97.7	Very high	97.6	Very high	84 Å²	84	60.4 Å²	60.4	33%	0.329	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-48.6	171.9	175.1	-100.9	0	0	0	111.9	H64 N65 L70 G71 E73 Y75	H64-Y68 PolarHBondContact O-N 3.37Å; N65-Y68 WeakPolarHBondContact O-CB 3.49Å; N65-Y68 PolarHBondContact O-N 3.04Å; Y68-L70 PolarHBondContact O-N 2.9Å; Y68-L70 VanDerWaalsContact O-N 3.17Å; Y68-G71 PolarHBondContact O-N 2.96Å; Y68-E73 WeakPolarHBondContact CD2-O 3.41Å; Y68-Y75 VanDerWaalsContact CD2-O 3.23Å; Y68-Y75 WeakPolarHBondContact CD2-O 3.46Å
69	D	97.7	Very high	97.6	Very high	124 Å²	124	62.7 Å²	62.7	66%	0.663	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-24.9	178.3	-70.7	-15	0	0	0	112.8	N65	N65-D69 WeakPolarHBondContact O-CB 3.39Å; N65-D69 VanDerWaalsContact O-CG 3.23Å; N65-D69 PolarHBondContact O-N 3.48Å
70	L	97.7	Very high	97.6	Very high	127 Å²	127	58.3 Å²	58.3	67%	0.665	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	1.5	175.4	-68.4	172	0	0	0	113.6	L66 R67 Y68 F72	L66-L70 WeakPolarHBondContact O-CD1 3.31Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.29Å; L66-L70 PolarHBondContact O-N 3.01Å; R67-L70 CarbonylContact O-C 3.55Å; R67-L70 PolarHBondContact O-N 3.36Å; Y68-L70 PolarHBondContact O-N 2.9Å; Y68-L70 VanDerWaalsContact O-N 3.17Å; L70-F72 VanDerWaalsContact C-N 3.34Å; L70-F72 HydrophobicContact CB-CD2 3.6Å; L70-F72 HydrophobicContact CB-CE2 3.75Å; L70-F72 HydrophobicContact CD1-CD2 4.34Å; L70-F72 HydrophobicContact CD1-CE2 4.08Å
71	G	95.8	Very high	97.5	Very high	64 Å²	64	56.9 Å²	56.9	66%	0.66	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	14.7	179.8	0	0	0	0	0	114.9	R67 Y68	R67-G71 PolarHBondContact O-N 3.38Å; Y68-G71 PolarHBondContact O-N 2.96Å
72	F	96.2	Very high	97.4	Very high	134 Å²	134	57.2 Å²	57.2	59%	0.588	30%	0.297	S	S	*	.	S	Bend	trans	-83.4	-15.2	175.2	-66.8	-64	0	0	0	113.4	R67 L70	R67-F72 HydrophobicContact CB-CB 4.13Å; R67-F72 PolarHBondContact O-N 2.76Å; L70-F72 VanDerWaalsContact C-N 3.34Å; L70-F72 HydrophobicContact CB-CD2 3.6Å; L70-F72 HydrophobicContact CB-CE2 3.75Å; L70-F72 HydrophobicContact CD1-CD2 4.34Å; L70-F72 HydrophobicContact CD1-CE2 4.08Å
73	E	96.7	Very high	97.4	Very high	38 Å²	38	52.9 Å²	52.9	18%	0.178	28%	0.277	C	S	.	.			trans	-128.9	147.6	178.7	-52.9	-65.9	159.9	0	0	109	H64 R67 Y68	H64-E73 IonicContact CE1-OE2 2.81Å; R67-E73 HydrophobicContact CB-CG 3.7Å; R67-E73 IonicContact CZ-OE1 2.72Å; R67-E73 VanDerWaalsContact CZ-OE1 3.23Å; R67-E73 IonicContact NE-OE1 3.36Å; R67-E73 PolarHBondContact NE-OE1 2.8Å; R67-E73 IonicContact NH2-OE1 3.83Å; R67-E73 PolarHBondContact NH2-OE1 3.03Å; Y68-E73 WeakPolarHBondContact CD2-O 3.41Å
74	T	96.7	Very high	97.4	Very high	43 Å²	43	48.1 Å²	48.1	26%	0.264	25%	0.252	S	S	.	.	S	Bend	trans	-94	-1.6	178.1	51	0	0	0	0	113.5	G271 I272 Q274	T74-G271 CarbonylContact O-C 3.54Å; T74-G271 WeakPolarHBondContact O-CA 3.34Å; T74-I272 WeakPolarHBondContact CB-O 3.38Å; T74-I272 PolarHBondContact O-N 3.23Å; T74-I272 PolarHBondContact OG1-O 3.38Å; T74-Q274 WeakPolarHBondContact OG1-CG 3.04Å; T74-Q274 PolarHBondContact OG1-NE2 3.45Å
75	Y	98.2	Very high	97.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.8	179.6	68	-78.7	0	0	0	111.7	H64 Y68 I77 N264 Y268 S270 Y273 Q274	H64-Y75 AromaticContact CE1-CE2 3.57Å; H64-Y75 AromaticContact CE1-CZ 3.46Å; H64-Y75 VanDerWaalsContact CE1-CZ 3.46Å; H64-Y75 AromaticContact NE2-CD2 3.8Å; H64-Y75 AromaticContact NE2-CE2 3.61Å; H64-Y75 AromaticContact NE2-CZ 3.9Å; H64-Y75 PolarHBondContact NE2-O 3.05Å; Y68-Y75 VanDerWaalsContact CD2-O 3.23Å; Y68-Y75 WeakPolarHBondContact CD2-O 3.46Å; Y75-I77 HydrophobicContact CD2-CG2 3.79Å; Y75-I77 HydrophobicContact CE2-CG2 3.51Å; Y75-N264 HydrophobicContact CE2-CB 4.33Å; Y75-N264 WeakPolarHBondContact OH-CB 3.29Å; Y75-N264 PolarHBondContact OH-ND2 3Å; Y75-N264 VanDerWaalsContact OH-ND2 3.11Å; Y75-Y268 HydrophobicContact CD2-CD2 4.2Å; Y75-S270 CarbonylContact C-O 3.58Å; Y75-S270 VanDerWaalsContact CA-O 3.24Å; Y75-S270 WeakPolarHBondContact CA-O 3.09Å; Y75-S270 VanDerWaalsContact CB-O 3.3Å; Y75-S270 WeakPolarHBondContact CB-O 3.3Å; Y75-Y273 HydrophobicContact CD1-CD2 4.44Å; Y75-Y273 AromaticContact CD2-CD2 3.91Å; Y75-Y273 HydrophobicContact CD2-CD2 3.91Å; Y75-Y273 HydrophobicContact CD2-CE2 4.48Å; Y75-Y273 HydrophobicContact CE1-CD2 4.24Å; Y75-Y273 AromaticContact CE2-CD2 3.66Å; Y75-Y273 HydrophobicContact CE2-CD2 3.66Å; Y75-Y273 AromaticContact CE2-CE2 3.8Å; Y75-Y273 HydrophobicContact CE2-CE2 3.8Å; Y75-Y273 HydrophobicContact CG-CD2 4.28Å; Y75-Y273 AromaticContact CZ-CD2 3.84Å; Y75-Y273 AromaticContact CZ-CE2 3.82Å; Y75-Q274 HydrophobicContact CD1-CG 4.49Å; Y75-Q274 HydrophobicContact CE1-CG 4.33Å; Y75-Q274 VanDerWaalsContact CE1-O 3.22Å; Y75-Q274 WeakPolarHBondContact CE1-O 3.49Å; Y75-Q274 PolarHBondContact OH-O 3.21Å
76	S	98.5	Very high	97.1	Very high	10 Å²	10	49.5 Å²	49.5	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.6	170.7	79.5	0	0	0	0	110.8	K269 S270	S76-K269 PolarHBondContact O-N 3.43Å; S76-S270 PolarHBondContact N-O 3.39Å; S76-S270 PolarHBondContact O-N 2.8Å; S76-S270 PolarHBondContact OG-OG 3.38Å
77	I	98.5	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	161.1	171.6	65.1	177.4	0	0	0	110.9	I61 H64 N65 Y75 H267	I61-I77 HydrophobicContact CB-CD1 4.43Å; I61-I77 HydrophobicContact CB-CG1 4.25Å; I61-I77 HydrophobicContact CG1-CD1 3.99Å; I61-I77 HydrophobicContact CG1-CG1 4.01Å; I61-I77 HydrophobicContact CG2-CG1 4.29Å; H64-I77 HydrophobicContact CB-CD1 3.45Å; H64-I77 VanDerWaalsContact CB-CD1 3.45Å; H64-I77 HydrophobicContact CB-CG1 3.7Å; N65-I77 PolarHBondContact ND2-O 3.04Å; N65-I77 PolarHBondContact OD1-N 2.85Å; N65-I77 PolarHBondContact OD1-O 3.05Å; Y75-I77 HydrophobicContact CD2-CG2 3.79Å; Y75-I77 HydrophobicContact CE2-CG2 3.51Å; I77-H267 CarbonylContact C-O 3.59Å; I77-H267 WeakPolarHBondContact CA-O 3.49Å; I77-H267 HydrophobicContact CB-CB 3.85Å; I77-H267 VanDerWaalsContact CB-O 3.23Å; I77-H267 WeakPolarHBondContact CB-O 3.46Å; I77-H267 HydrophobicContact CD1-CB 4.43Å; I77-H267 HydrophobicContact CG2-CB 4.4Å
78	G	97.9	Very high	96.7	Very high	10 Å²	10	47.4 Å²	47.4	10%	0.103	25%	0.252	C	S	.	.			trans	-154.4	178.5	-172.7	0	0	0	0	0	113.1	I61 S80 H267	I61-G78 WeakPolarHBondContact CD1-O 3.26Å; G78-S80 PolarHBondContact O-N 3.13Å; G78-H267 PolarHBondContact N-O 3Å; G78-H267 WeakPolarHBondContact O-CB 3.42Å
79	L	97.1	Very high	96.5	Very high	60 Å²	60	46.4 Å²	46.4	31%	0.314	25%	0.25	S	S	.	.			trans	-68.1	132.3	174.9	-59.8	177.6	0	0	0	109.7	Y37 W54 L58 I61 T83	Y37-L79 PolarHBondContact OH-O 3.21Å; W54-L79 HydrophobicContact CZ2-CD1 3.94Å; W54-L79 HydrophobicContact CZ2-CD2 3.95Å; L58-L79 HydrophobicContact CD1-CD2 4.14Å; I61-L79 HydrophobicContact CD1-CD2 4.01Å; L79-T83 HydrophobicContact CD2-CG2 3.69Å
80	S	96.3	Very high	96.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.22	C	C	.	.			trans	-128.2	177.2	179.5	65.2	0	0	0	0	109.5	W33 Y37 G78 F82 T83 L266 H267	W33-S80 WeakPolarHBondContact CZ2-O 3.44Å; W33-S80 PolarHBondContact NE1-O 3.31Å; Y37-S80 VanDerWaalsContact CZ-C 3.44Å; Y37-S80 WeakPolarHBondContact OH-CA 3.45Å; G78-S80 PolarHBondContact O-N 3.13Å; S80-F82 PolarHBondContact O-N 2.84Å; S80-F82 PolarHBondContact OG-N 3.46Å; S80-F82 VanDerWaalsContact OG-N 3.14Å; S80-T83 PolarHBondContact N-OG1 2.85Å; S80-T83 PolarHBondContact O-N 3.31Å; S80-T83 PolarHBondContact O-OG1 2.62Å; S80-T83 VanDerWaalsContact O-OG1 3.12Å; S80-T83 PolarHBondContact OG-OG1 2.96Å; S80-L266 VanDerWaalsContact CB-O 3.31Å; S80-L266 WeakPolarHBondContact CB-O 3.27Å; S80-L266 PolarHBondContact OG-O 3.4Å; S80-L266 VanDerWaalsContact OG-O 3.1Å; S80-H267 PolarHBondContact OG-ND1 2.92Å
81	Q	95.2	Very high	95.7	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.117	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.2	169.1	66.2	-91.6	49.9	0	0	113.3	Y37 K39 W308	Y37-Q81 HydrophobicContact CD1-CB 3.62Å; Y37-Q81 HydrophobicContact CE1-CB 4.14Å; Y37-Q81 HydrophobicContact CG-CB 4.14Å; K39-Q81 WeakPolarHBondContact CE-O 3.31Å; K39-Q81 PolarHBondContact NZ-O 2.72Å; Q81-W308 PolarHBondContact NE2-O 2.92Å
82	F	96	Very high	95.3	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.057	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2.4	-177.7	-49.2	-65.3	0	0	0	113.1	S80 D84 I85 F90 L266 W308	S80-F82 PolarHBondContact O-N 2.84Å; S80-F82 PolarHBondContact OG-N 3.46Å; S80-F82 VanDerWaalsContact OG-N 3.14Å; F82-D84 PolarHBondContact O-N 3.36Å; F82-D84 VanDerWaalsContact O-N 3.17Å; F82-I85 HydrophobicContact CD1-CD1 4.27Å; F82-I85 PolarHBondContact O-N 3.13Å; F82-F90 AromaticContact CD1-CD2 3.99Å; F82-F90 HydrophobicContact CD1-CD2 3.99Å; F82-F90 AromaticContact CD1-CE2 3.75Å; F82-F90 HydrophobicContact CD1-CE2 3.75Å; F82-F90 HydrophobicContact CE1-CD2 4.38Å; F82-F90 AromaticContact CE1-CE2 3.73Å; F82-F90 HydrophobicContact CE1-CE2 3.73Å; F82-F90 HydrophobicContact CG-CD2 4.45Å; F82-F90 HydrophobicContact CG-CE2 4.27Å; F82-F90 HydrophobicContact CZ-CE2 4.23Å; F82-L266 HydrophobicContact CB-CB 4.29Å; F82-L266 HydrophobicContact CB-CD1 4.39Å; F82-L266 HydrophobicContact CD2-CB 4.4Å; F82-L266 HydrophobicContact CD2-CD2 4.46Å; F82-W308 HydrophobicContact CD2-CE3 4.34Å; F82-W308 HydrophobicContact CE2-CB 4.34Å; F82-W308 AromaticContact CE2-CD2 3.45Å; F82-W308 HydrophobicContact CE2-CD2 3.45Å; F82-W308 VanDerWaalsContact CE2-CD2 3.45Å; F82-W308 AromaticContact CE2-CE2 3.94Å; F82-W308 AromaticContact CE2-CE3 3.46Å; F82-W308 HydrophobicContact CE2-CE3 3.46Å; F82-W308 VanDerWaalsContact CE2-CE3 3.46Å; F82-W308 AromaticContact CE2-CG 3.85Å; F82-W308 HydrophobicContact CE2-CG 3.85Å; F82-W308 HydrophobicContact CE2-CH2 4.44Å; F82-W308 HydrophobicContact CE2-CZ2 4.42Å; F82-W308 AromaticContact CE2-CZ3 3.98Å; F82-W308 HydrophobicContact CE2-CZ3 3.98Å; F82-W308 HydrophobicContact CZ-CB 4.45Å; F82-W308 AromaticContact CZ-CD1 3.9Å; F82-W308 AromaticContact CZ-CD2 3.68Å; F82-W308 HydrophobicContact CZ-CD2 3.68Å; F82-W308 AromaticContact CZ-CE2 3.83Å; F82-W308 HydrophobicContact CZ-CE3 4.17Å; F82-W308 AromaticContact CZ-CG 3.79Å; F82-W308 HydrophobicContact CZ-CG 3.79Å; F82-W308 HydrophobicContact CZ-CZ2 4.46Å; F82-W308 AromaticContact CZ-NE1 3.91Å
83	T	97.3	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.7	-173.3	-57	0	0	0	0	113.5	W54 N57 I61 L79 S80	W54-T83 VanDerWaalsContact CA-O 3.27Å; W54-T83 WeakPolarHBondContact CA-O 3.23Å; W54-T83 VanDerWaalsContact CD1-CG2 3.41Å; W54-T83 HydrophobicContact CD2-CG2 4.48Å; W54-T83 HydrophobicContact CG-CG2 3.95Å; N57-T83 HydrophobicContact CB-CG2 3.85Å; N57-T83 WeakPolarHBondContact CB-O 3.16Å; N57-T83 PolarHBondContact ND2-O 2.9Å; I61-T83 HydrophobicContact CD1-CG2 4.27Å; L79-T83 HydrophobicContact CD2-CG2 3.69Å; S80-T83 PolarHBondContact N-OG1 2.85Å; S80-T83 PolarHBondContact O-N 3.31Å; S80-T83 PolarHBondContact O-OG1 2.62Å; S80-T83 VanDerWaalsContact O-OG1 3.12Å; S80-T83 PolarHBondContact OG-OG1 2.96Å
84	D	97.3	Very high	93.7	Very high	3 Å²	3	35 Å²	35	2%	0.016	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	13.1	173.8	67.8	-29	0	0	0	114.6	W30 W33 K39 Y41 R50 I53 W54 F82	W30-D84 HydrophobicContact CH2-CB 4.44Å; W33-D84 HydrophobicContact CH2-CB 3.56Å; W33-D84 WeakPolarHBondContact CH2-OD1 3.47Å; W33-D84 HydrophobicContact CZ2-CB 4.3Å; W33-D84 HydrophobicContact CZ3-CB 4.13Å; K39-D84 IonicContact NZ-OD1 3.73Å; K39-D84 PolarHBondContact NZ-OD1 3Å; K39-D84 IonicContact NZ-OD2 2.65Å; K39-D84 PolarHBondContact NZ-OD2 2.83Å; Y41-D84 WeakPolarHBondContact CE1-OD2 3.48Å; Y41-D84 PolarHBondContact OH-OD2 3.2Å; R50-D84 HydrophobicContact CB-CB 4.16Å; R50-D84 WeakPolarHBondContact CD-O 3.46Å; R50-D84 PolarHBondContact NH1-O 3.31Å; I53-D84 VanDerWaalsContact CG2-C 3.49Å; W54-D84 HydrophobicContact CB-CB 4.36Å; F82-D84 PolarHBondContact O-N 3.36Å; F82-D84 VanDerWaalsContact O-N 3.17Å
85	I	95.4	Very high	92.8	Very high	22 Å²	22	39.4 Å²	39.4	11%	0.113	20%	0.197	C	C	.	.	S	Bend	trans	-115.5	138.7	-178.7	-56.2	-177.6	0	0	0	109.4	I53 N57 F82 E89 F90	I53-I85 VanDerWaalsContact CG2-C 3.49Å; N57-I85 PolarHBondContact ND2-O 3.38Å; F82-I85 HydrophobicContact CD1-CD1 4.27Å; F82-I85 PolarHBondContact O-N 3.13Å; I85-E89 HydrophobicContact CG2-CB 3.97Å; I85-E89 HydrophobicContact CG2-CG 3.95Å; I85-F90 HydrophobicContact CG2-CB 3.89Å
86	E	95.9	Very high	91.7	Very high	56 Å²	56	40 Å²	40	26%	0.262	20%	0.201	S	C	.	.			trans	-78.6	145.9	172.1	-76.5	-78	-175	0	0	110.4	I53 K56 N88 E89 F90	I53-E86 HydrophobicContact CD1-CG 3.88Å; I53-E86 HydrophobicContact CG1-CG 3.87Å; I53-E86 HydrophobicContact CG2-CG 3.92Å; K56-E86 WeakPolarHBondContact CD-OE1 3.36Å; K56-E86 IonicContact NZ-OE1 2.81Å; K56-E86 PolarHBondContact NZ-OE1 2.86Å; K56-E86 IonicContact NZ-OE2 2.68Å; K56-E86 PolarHBondContact NZ-OE2 3.01Å; E86-N88 VanDerWaalsContact C-N 3.27Å; E86-N88 PolarHBondContact O-N 2.96Å; E86-E89 HydrophobicContact CB-CB 4.13Å; E86-E89 PolarHBondContact N-OE2 2.98Å; E86-E89 WeakPolarHBondContact O-CA 3.24Å; E86-E89 VanDerWaalsContact O-CB 3.31Å; E86-E89 WeakPolarHBondContact O-CB 3.36Å; E86-E89 PolarHBondContact O-N 3.21Å; E86-F90 PolarHBondContact O-N 2.81Å
87	W	94.1	Very high	90.5	Very high	51 Å²	51	43.3 Å²	43.3	19%	0.193	21%	0.214	C	C	.	.	H	α-helix	trans	-51.7	-45.9	179	172.6	-117.8	0	0	0	113.3	E89 F90 Y91 I261 D262 E263 L266	W87-E89 VanDerWaalsContact C-N 3.29Å; W87-E89 PolarHBondContact O-N 3.35Å; W87-F90 HydrophobicContact CE3-CD1 4.34Å; W87-F90 AromaticContact CZ3-CD1 3.93Å; W87-F90 HydrophobicContact CZ3-CD1 3.93Å; W87-F90 HydrophobicContact CZ3-CE1 4.45Å; W87-F90 PolarHBondContact O-N 2.69Å; W87-Y91 HydrophobicContact CH2-CD2 4Å; W87-Y91 AromaticContact CZ2-CD2 3.63Å; W87-Y91 HydrophobicContact CZ2-CD2 3.63Å; W87-Y91 HydrophobicContact CZ2-CE2 4.24Å; W87-Y91 HydrophobicContact CZ2-CG 4.35Å; W87-Y91 VanDerWaalsContact O-CB 3.31Å; W87-Y91 WeakPolarHBondContact O-CB 3.38Å; W87-Y91 PolarHBondContact O-N 3.12Å; W87-I261 HydrophobicContact CH2-CG1 4.38Å; W87-I261 WeakPolarHBondContact CH2-O 3.03Å; W87-D262 VanDerWaalsContact CZ3-C 3.41Å; W87-D262 WeakPolarHBondContact CZ3-O 3.26Å; W87-E263 HydrophobicContact CB-CB 4Å; W87-E263 HydrophobicContact CB-CG 3.78Å; W87-E263 HydrophobicContact CD2-CB 3.89Å; W87-E263 HydrophobicContact CE3-CB 3.98Å; W87-E263 HydrophobicContact CG-CB 3.89Å; W87-E263 HydrophobicContact CG-CG 4.24Å; W87-L266 HydrophobicContact CE3-CD1 3.84Å; W87-L266 HydrophobicContact CE3-CG 4.24Å; W87-L266 HydrophobicContact CZ3-CD1 4.18Å; W87-L266 HydrophobicContact CZ3-CD2 4.32Å; W87-L266 HydrophobicContact CZ3-CG 4.16Å
88	N	94	Very high	89.6	Confident	126 Å²	126	43.8 Å²	43.8	67%	0.674	22%	0.216	S	C	*	.	H	α-helix	trans	-66.2	-34.9	-180	-70.7	-16.4	0	0	0	111.9	E86 S92	E86-N88 VanDerWaalsContact C-N 3.27Å; E86-N88 PolarHBondContact O-N 2.96Å; N88-S92 WeakPolarHBondContact O-CB 3.42Å; N88-S92 PolarHBondContact O-N 2.84Å; N88-S92 PolarHBondContact O-OG 2.98Å
89	E	93.3	Very high	88.6	Confident	63 Å²	63	50.7 Å²	50.7	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-52.4	173.1	-178.8	-176.2	-173.5	0	0	109.2	R50 I85 E86 W87 Y91 S92 M93	R50-E89 IonicContact CZ-OE1 3.22Å; R50-E89 IonicContact CZ-OE2 3.9Å; R50-E89 IonicContact NH1-OE1 3.62Å; R50-E89 PolarHBondContact NH1-OE1 2.78Å; R50-E89 IonicContact NH1-OE2 3.56Å; R50-E89 PolarHBondContact NH1-OE2 3.27Å; R50-E89 IonicContact NH2-OE1 2.74Å; R50-E89 PolarHBondContact NH2-OE1 3.32Å; I85-E89 HydrophobicContact CG2-CB 3.97Å; I85-E89 HydrophobicContact CG2-CG 3.95Å; E86-E89 HydrophobicContact CB-CB 4.13Å; E86-E89 PolarHBondContact N-OE2 2.98Å; E86-E89 WeakPolarHBondContact O-CA 3.24Å; E86-E89 VanDerWaalsContact O-CB 3.31Å; E86-E89 WeakPolarHBondContact O-CB 3.36Å; E86-E89 PolarHBondContact O-N 3.21Å; W87-E89 VanDerWaalsContact C-N 3.29Å; W87-E89 PolarHBondContact O-N 3.35Å; E89-Y91 VanDerWaalsContact C-N 3.34Å; E89-Y91 PolarHBondContact O-N 2.73Å; E89-S92 PolarHBondContact O-N 3.01Å; E89-S92 VanDerWaalsContact O-N 3.13Å; E89-S92 PolarHBondContact O-OG 3.08Å; E89-M93 WeakPolarHBondContact O-CG 3.35Å; E89-M93 PolarHBondContact O-N 3.14Å
90	F	91.6	Very high	87.1	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-55	-49.3	178.1	-177.6	-86.6	0	0	0	112.1	F82 I85 E86 W87 S92 M93 Y94 I261 L266 W308	F82-F90 AromaticContact CD1-CD2 3.99Å; F82-F90 HydrophobicContact CD1-CD2 3.99Å; F82-F90 AromaticContact CD1-CE2 3.75Å; F82-F90 HydrophobicContact CD1-CE2 3.75Å; F82-F90 HydrophobicContact CE1-CD2 4.38Å; F82-F90 AromaticContact CE1-CE2 3.73Å; F82-F90 HydrophobicContact CE1-CE2 3.73Å; F82-F90 HydrophobicContact CG-CD2 4.45Å; F82-F90 HydrophobicContact CG-CE2 4.27Å; F82-F90 HydrophobicContact CZ-CE2 4.23Å; I85-F90 HydrophobicContact CG2-CB 3.89Å; E86-F90 PolarHBondContact O-N 2.81Å; W87-F90 HydrophobicContact CE3-CD1 4.34Å; W87-F90 AromaticContact CZ3-CD1 3.93Å; W87-F90 HydrophobicContact CZ3-CD1 3.93Å; W87-F90 HydrophobicContact CZ3-CE1 4.45Å; W87-F90 PolarHBondContact O-N 2.69Å; F90-S92 VanDerWaalsContact C-N 3.3Å; F90-S92 PolarHBondContact O-N 3.03Å; F90-M93 HydrophobicContact CB-CE 4.16Å; F90-M93 HydrophobicContact CD2-CE 3.38Å; F90-M93 HydrophobicContact CE2-CE 3.87Å; F90-M93 HydrophobicContact CG-CE 3.88Å; F90-M93 WeakPolarHBondContact O-CB 3.45Å; F90-M93 PolarHBondContact O-N 3.23Å; F90-Y94 HydrophobicContact CD1-CE2 4.3Å; F90-Y94 AromaticContact CE1-CE2 3.65Å; F90-Y94 HydrophobicContact CE1-CE2 3.65Å; F90-Y94 HydrophobicContact CZ-CE2 4.16Å; F90-I261 HydrophobicContact CE1-CD1 3.78Å; F90-I261 HydrophobicContact CZ-CD1 4.29Å; F90-L266 HydrophobicContact CB-CD1 4.06Å; F90-L266 HydrophobicContact CD1-CD1 4.15Å; F90-L266 HydrophobicContact CD1-CD2 3.8Å; F90-L266 HydrophobicContact CD2-CD1 4.09Å; F90-L266 HydrophobicContact CD2-CD2 3.97Å; F90-L266 HydrophobicContact CE1-CD2 3.55Å; F90-L266 HydrophobicContact CE2-CD2 3.73Å; F90-L266 HydrophobicContact CG-CD1 3.83Å; F90-L266 HydrophobicContact CG-CD2 4.02Å; F90-L266 HydrophobicContact CZ-CD2 3.53Å; F90-W308 HydrophobicContact CZ-CH2 4.28Å; F90-W308 AromaticContact CZ-CZ2 3.84Å; F90-W308 HydrophobicContact CZ-CZ2 3.84Å
91	Y	87.1	Confident	85.7	Confident	68 Å²	68	55 Å²	55	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-35.3	-179.3	-166.4	-100.6	0	0	0	112.6	W87 E89 M93 Y94 K97 N284	W87-Y91 HydrophobicContact CH2-CD2 4Å; W87-Y91 AromaticContact CZ2-CD2 3.63Å; W87-Y91 HydrophobicContact CZ2-CD2 3.63Å; W87-Y91 HydrophobicContact CZ2-CE2 4.24Å; W87-Y91 HydrophobicContact CZ2-CG 4.35Å; W87-Y91 VanDerWaalsContact O-CB 3.31Å; W87-Y91 WeakPolarHBondContact O-CB 3.38Å; W87-Y91 PolarHBondContact O-N 3.12Å; E89-Y91 VanDerWaalsContact C-N 3.34Å; E89-Y91 PolarHBondContact O-N 2.73Å; Y91-M93 PolarHBondContact O-N 3.38Å; Y91-Y94 PolarHBondContact O-N 2.85Å; Y91-K97 WeakPolarHBondContact OH-CE 3.49Å; Y91-K97 PolarHBondContact OH-NZ 2.81Å; Y91-N284 WeakPolarHBondContact CE2-ND2 2.98Å
92	S	88.5	Confident	83.9	Confident	85 Å²	85	56.9 Å²	56.9	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-69.9	-16.8	179.3	72.3	0	0	0	0	113.9	N88 E89 F90 Y94	N88-S92 WeakPolarHBondContact O-CB 3.42Å; N88-S92 PolarHBondContact O-N 2.84Å; N88-S92 PolarHBondContact O-OG 2.98Å; E89-S92 PolarHBondContact O-N 3.01Å; E89-S92 VanDerWaalsContact O-N 3.13Å; E89-S92 PolarHBondContact O-OG 3.08Å; F90-S92 VanDerWaalsContact C-N 3.3Å; F90-S92 PolarHBondContact O-N 3.03Å; S92-Y94 VanDerWaalsContact C-N 3.27Å; S92-Y94 PolarHBondContact O-N 3.13Å
93	M	83.2	Confident	81.9	Confident	64 Å²	64	58.6 Å²	58.6	32%	0.315	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.8	177.4	-54.6	-170.9	-69.3	0	0	112.5	E89 F90 Y91 K95 I146	E89-M93 WeakPolarHBondContact O-CG 3.35Å; E89-M93 PolarHBondContact O-N 3.14Å; F90-M93 HydrophobicContact CB-CE 4.16Å; F90-M93 HydrophobicContact CD2-CE 3.38Å; F90-M93 HydrophobicContact CE2-CE 3.87Å; F90-M93 HydrophobicContact CG-CE 3.88Å; F90-M93 WeakPolarHBondContact O-CB 3.45Å; F90-M93 PolarHBondContact O-N 3.23Å; Y91-M93 PolarHBondContact O-N 3.38Å; M93-K95 PolarHBondContact O-N 3.35Å; M93-I146 HydrophobicContact CB-CD1 3.05Å; M93-I146 HydrophobicContact CB-CG1 4.42Å; M93-I146 HydrophobicContact CE-CD1 3.78Å; M93-I146 HydrophobicContact CG-CD1 4.11Å; M93-I146 HydrophobicContact SD-CD1 4.1Å
94	Y	75.4	Confident	79.6	Confident	28 Å²	28	68.5 Å²	68.5	11%	0.11	33%	0.33	C	S	.	.			trans	-76.8	114.6	172.4	-70.7	-96.3	0	0	0	110.7	F90 Y91 S92 I146 N284 Q285	F90-Y94 HydrophobicContact CD1-CE2 4.3Å; F90-Y94 AromaticContact CE1-CE2 3.65Å; F90-Y94 HydrophobicContact CE1-CE2 3.65Å; F90-Y94 HydrophobicContact CZ-CE2 4.16Å; Y91-Y94 PolarHBondContact O-N 2.85Å; S92-Y94 VanDerWaalsContact C-N 3.27Å; S92-Y94 PolarHBondContact O-N 3.13Å; Y94-I146 HydrophobicContact CD1-CG2 3.57Å; Y94-I146 HydrophobicContact CD2-CD1 4.37Å; Y94-I146 HydrophobicContact CD2-CG2 4.31Å; Y94-I146 HydrophobicContact CE1-CG2 3.27Å; Y94-I146 HydrophobicContact CE2-CD1 4.36Å; Y94-I146 HydrophobicContact CE2-CG2 4.05Å; Y94-I146 HydrophobicContact CG-CG2 4.09Å; Y94-N284 WeakPolarHBondContact CE1-O 3.31Å; Y94-N284 PolarHBondContact OH-O 3.12Å; Y94-Q285 PolarHBondContact OH-OE1 3.13Å
95	K	78.7	Confident	77.4	Confident	135 Å²	135	73.5 Å²	73.5	59%	0.587	37%	0.365	S	S	*	.	S	Bend	trans	-81.9	-22.6	173.2	-71.7	-178.6	-174.1	159.2	0	113	M93 M186 H189	M93-K95 PolarHBondContact O-N 3.35Å; K95-M186 HydrophobicContact CB-CB 4.46Å; K95-M186 HydrophobicContact CB-CG 4.43Å; K95-H189 HydrophobicContact CB-CB 3.99Å; K95-H189 WeakPolarHBondContact CB-O 3.42Å; K95-H189 HydrophobicContact CD-CB 3.56Å; K95-H189 WeakPolarHBondContact CE-CD2 3.4Å; K95-H189 HydrophobicContact CG-CB 3.76Å; K95-H189 PolarHBondContact N-O 3.29Å; K95-H189 PolarHBondContact NZ-CD2 2.97Å; K95-H189 PolarHBondContact NZ-NE2 3Å; K95-H189 VanDerWaalsContact NZ-NE2 3.18Å
96	V	74.6	Confident	75.4	Confident	17 Å²	17	73.5 Å²	73.5	10%	0.103	37%	0.367	C	S	.	.	S	Bend	trans	-131.9	142.7	176.7	-68.9	0	0	0	0	110	M186 G191 Y192	V96-M186 HydrophobicContact CG1-CE 4.36Å; V96-M186 HydrophobicContact CG1-CG 3.73Å; V96-M186 HydrophobicContact CG2-CG 4.27Å; V96-G191 VanDerWaalsContact CG2-N 3.28Å; V96-Y192 HydrophobicContact CG1-CE2 4.4Å
97	K	73.5	Confident	73.4	Confident	78 Å²	78	74.6 Å²	74.6	34%	0.339	38%	0.379	S	S	.	.			trans	-102	144.1	171.2	-62.7	-175.2	-168.7	175.7	0	108.5	Y91 R99 Y192	Y91-K97 WeakPolarHBondContact OH-CE 3.49Å; Y91-K97 PolarHBondContact OH-NZ 2.81Å; K97-R99 PolarHBondContact O-N 3.01Å; K97-Y192 VanDerWaalsContact O-CE1 3.25Å; K97-Y192 WeakPolarHBondContact O-CE1 3.49Å
98	E	79.3	Confident	71.5	Confident	11 Å²	11	77.3 Å²	77.3	5%	0.051	41%	0.405	C	S	.	.			trans	-60.6	129.3	-179.4	-176.4	73.1	-126.4	0	0	109.9	T193 S258 L283 M333	E98-T193 PolarHBondContact OE1-N 3.17Å; E98-T193 VanDerWaalsContact OE2-CB 3.3Å; E98-T193 WeakPolarHBondContact OE2-CB 3.25Å; E98-T193 PolarHBondContact OE2-N 3.37Å; E98-T193 PolarHBondContact OE2-OG1 2.04Å; E98-S258 WeakPolarHBondContact CG-OG 3.23Å; E98-L283 HydrophobicContact CB-CB 4.07Å; E98-L283 HydrophobicContact CG-CB 4.46Å; E98-L283 PolarHBondContact N-O 3.32Å; E98-L283 VanDerWaalsContact N-O 3.13Å; E98-M333 HydrophobicContact CG-CE 3.44Å; E98-M333 VanDerWaalsContact CG-CE 3.44Å; E98-M333 HydrophobicContact CG-SD 4.02Å; E98-M333 VanDerWaalsContact OE1-CE 3.25Å; E98-M333 WeakPolarHBondContact OE1-CE 3.34Å
99	R	76.6	Confident	69.8	Low	155 Å²	155	76 Å²	76	59%	0.585	41%	0.406	S	S	*	.			trans	-150.6	141.5	177.7	-65.4	-177.6	-179.8	177.5	-1.2	108	K97 I101 Y192 F194	K97-R99 PolarHBondContact O-N 3.01Å; R99-I101 HydrophobicContact CB-CG1 4.34Å; R99-I101 PolarHBondContact O-N 2.85Å; R99-Y192 HydrophobicContact CB-CE1 4.15Å; R99-Y192 WeakPolarHBondContact O-CD1 3.5Å; R99-F194 WeakPolarHBondContact O-CE1 3.48Å
100	L	66.9	Low	68.6	Low	61 Å²	61	73.1 Å²	73.1	32%	0.319	39%	0.393	S	S	.	.			trans	-74.1	110.6	164.4	-85.6	139.4	0	0	0	109.6	I102 F236 M333 F335	L100-I102 HydrophobicContact CD2-CD1 4.24Å; L100-I102 HydrophobicContact CD2-CG1 4.02Å; L100-F236 HydrophobicContact CD1-CE1 4.2Å; L100-F236 HydrophobicContact CD1-CE2 4.01Å; L100-F236 HydrophobicContact CD1-CZ 3.32Å; L100-F236 HydrophobicContact CD2-CE1 3.64Å; L100-F236 HydrophobicContact CD2-CE2 4.18Å; L100-F236 HydrophobicContact CD2-CZ 3.46Å; L100-F236 VanDerWaalsContact CD2-CZ 3.46Å; L100-F236 HydrophobicContact CG-CZ 4Å; L100-M333 HydrophobicContact CD1-CE 4.01Å; L100-M333 HydrophobicContact CD1-CG 3.5Å; L100-M333 HydrophobicContact CD1-SD 3.51Å; L100-M333 VanDerWaalsContact CD1-SD 3.51Å; L100-M333 HydrophobicContact CG-CE 3.81Å; L100-M333 HydrophobicContact CG-CG 4.37Å; L100-M333 HydrophobicContact CG-SD 3.84Å; L100-F335 HydrophobicContact CD2-CE1 4.26Å; L100-F335 HydrophobicContact CD2-CZ 3.86Å; L100-F335 HydrophobicContact CG-CZ 4.34Å
101	I	65.9	Low	67.8	Low	92 Å²	92	75 Å²	75	47%	0.472	40%	0.401	S	S	.	.			trans	-117.8	75.6	167.3	-52.2	176.2	0	0	0	106.3	R99 P103 Y192 F194	R99-I101 HydrophobicContact CB-CG1 4.34Å; R99-I101 PolarHBondContact O-N 2.85Å; I101-P103 WeakPolarHBondContact O-CD 3.24Å; I101-P103 VanDerWaalsContact O-N 3.11Å; I101-Y192 HydrophobicContact CD1-CE1 4.41Å; I101-F194 HydrophobicContact CB-CE1 4.19Å; I101-F194 HydrophobicContact CB-CZ 4Å; I101-F194 WeakPolarHBondContact O-CE2 3.08Å; I101-F194 WeakPolarHBondContact O-CZ 3.09Å
102	I	57.8	Low	67.3	Low	64 Å²	64	75.9 Å²	75.9	33%	0.328	41%	0.41	S	S	.	.			trans	-64.7	114	175.9	-56	176.2	0	0	0	106.8	L100 E104	L100-I102 HydrophobicContact CD2-CD1 4.24Å; L100-I102 HydrophobicContact CD2-CG1 4.02Å; I102-E104 PolarHBondContact O-N 3.02Å
103	P	53.4	Low	66.4	Low	48 Å²	48	74.5 Å²	74.5	31%	0.312	39%	0.394	S	S	.	.			trans	-62	134.7	176.5	-16.7	30.2	0	0	0	108.5	I101 S105 S106	I101-P103 WeakPolarHBondContact O-CD 3.24Å; I101-P103 VanDerWaalsContact O-N 3.11Å; P103-S105 PolarHBondContact O-N 3.37Å; P103-S106 WeakPolarHBondContact O-CB 3.48Å; P103-S106 PolarHBondContact O-N 2.9Å
104	E	50.1	Low	65.7	Low	209 Å²	209	72.7 Å²	72.7	98%	0.977	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.9	176	-72.3	-176	167	0	0	112.4	I102	I102-E104 PolarHBondContact O-N 3.02Å
105	S	51.2	Low	65.1	Low	108 Å²	108	77.5 Å²	77.5	76%	0.755	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.4	177.6	58.2	0	0	0	0	115.1	P103 P107	P103-S105 PolarHBondContact O-N 3.37Å; S105-P107 WeakPolarHBondContact O-CD 3.35Å
106	S	53.1	Low	64.5	Low	21 Å²	21	74.4 Å²	74.4	15%	0.147	40%	0.397	C	S	.	.	S	Bend	trans	-66.7	118.5	174.2	-84.6	0	0	0	0	108.9	P103 S108	P103-S106 WeakPolarHBondContact O-CB 3.48Å; P103-S106 PolarHBondContact O-N 2.9Å; S106-S108 PolarHBondContact O-N 2.73Å
107	P	54.3	Low	64.3	Low	79 Å²	79	78 Å²	78	51%	0.513	42%	0.416	S	S	.	.			trans	-58.4	132	179.6	21.2	-28.8	0	0	0	108.5	S105 S109 S110	S105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-S109 PolarHBondContact O-N 2.84Å; P107-S110 WeakPolarHBondContact O-CB 3.2Å; P107-S110 PolarHBondContact O-N 2.68Å; P107-S110 PolarHBondContact O-OG 3.24Å
108	S	54	Low	64.2	Low	108 Å²	108	77.4 Å²	77.4	76%	0.755	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-55	-18.1	179.8	55.7	0	0	0	0	113.3	S106 S110	S106-S108 PolarHBondContact O-N 2.73Å; S108-S110 VanDerWaalsContact C-N 3.3Å; S108-S110 PolarHBondContact O-N 2.86Å
109	S	57.7	Low	63.8	Low	98 Å²	98	83.6 Å²	83.6	69%	0.685	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-77.6	-7.1	174.7	67.8	0	0	0	0	114.8	P107 F111	P107-S109 PolarHBondContact O-N 2.84Å; S109-F111 VanDerWaalsContact C-N 3.33Å
110	S	68.2	Low	63.8	Low	4 Å²	4	82.8 Å²	82.8	3%	0.028	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-76.4	-21.4	-178.2	55.5	0	0	0	0	113	P107 S108 G233 Y234	P107-S110 WeakPolarHBondContact O-CB 3.2Å; P107-S110 PolarHBondContact O-N 2.68Å; P107-S110 PolarHBondContact O-OG 3.24Å; S108-S110 VanDerWaalsContact C-N 3.3Å; S108-S110 PolarHBondContact O-N 2.86Å; S110-G233 CarbonylContact O-C 3.54Å; S110-G233 WeakPolarHBondContact O-CA 3.11Å; S110-Y234 WeakPolarHBondContact O-CD1 3.26Å; S110-Y234 WeakPolarHBondContact O-CE1 3.35Å; S110-Y234 PolarHBondContact O-N 3.04Å
111	F	74.1	Confident	64.5	Low	42 Å²	42	81.7 Å²	81.7	18%	0.184	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.3	178.9	69.2	-84.2	0	0	0	113	S109 E113 Y234	S109-F111 VanDerWaalsContact C-N 3.33Å; F111-E113 HydrophobicContact CD2-CB 3.96Å; F111-E113 HydrophobicContact CE2-CB 3.81Å; F111-Y234 CarbonylContact C-O 3.51Å; F111-Y234 WeakPolarHBondContact CA-O 3.34Å; F111-Y234 HydrophobicContact CB-CD1 4.37Å; F111-Y234 HydrophobicContact CB-CD2 3.75Å; F111-Y234 HydrophobicContact CB-CE1 4.03Å; F111-Y234 HydrophobicContact CB-CE2 3.36Å; F111-Y234 HydrophobicContact CB-CG 4.25Å; F111-Y234 HydrophobicContact CG-CE2 4.18Å
112	I	76.3	Confident	65.4	Low	86 Å²	86	79 Å²	79	44%	0.441	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.8	166.2	-55.6	176.4	0	0	0	105.7	E114 Y234 K235 F236 I338	I112-E114 HydrophobicContact CG2-CG 3.87Å; I112-Y234 PolarHBondContact N-O 2.92Å; I112-K235 HydrophobicContact CB-CG 4.49Å; I112-F236 PolarHBondContact O-N 3.43Å; I112-I338 HydrophobicContact CD1-CD1 3.89Å; I112-I338 HydrophobicContact CG1-CD1 4.42Å
113	E	70.9	Confident	67	Low	56 Å²	56	85 Å²	85	26%	0.262	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116.6	164.3	-177.7	173.9	172.1	0	0	107.2	F111 D115 R238 H239	F111-E113 HydrophobicContact CD2-CB 3.96Å; F111-E113 HydrophobicContact CE2-CB 3.81Å; E113-D115 PolarHBondContact O-N 2.76Å; E113-R238 WeakPolarHBondContact OE1-CD 3.06Å; E113-R238 IonicContact OE1-CZ 2.68Å; E113-R238 IonicContact OE1-NE 3.81Å; E113-R238 PolarHBondContact OE1-NE 2.84Å; E113-R238 IonicContact OE1-NH1 2.83Å; E113-R238 PolarHBondContact OE1-NH1 2.92Å; E113-R238 IonicContact OE1-NH2 3.88Å; E113-R238 PolarHBondContact OE1-NH2 3.12Å; E113-R238 IonicContact OE2-CZ 3.05Å; E113-R238 IonicContact OE2-NE 3.66Å; E113-R238 IonicContact OE2-NH1 3.18Å; E113-R238 PolarHBondContact OE2-NH1 3.49Å; E113-R238 IonicContact OE2-NH2 3.77Å; E113-R238 PolarHBondContact OE2-NH2 2.92Å; E113-H239 IonicContact OE1-NE2 3.54Å; E113-H239 PolarHBondContact OE1-NE2 3.42Å
114	E	66.9	Low	69	Low	26 Å²	26	83.8 Å²	83.8	12%	0.121	46%	0.459	C	S	.	.			trans	-93.1	93.5	-178.7	-67.6	-167.3	131.8	0	0	109.7	I112 Y116 K235 H237	I112-E114 HydrophobicContact CG2-CG 3.87Å; E114-Y116 VanDerWaalsContact C-N 3.26Å; E114-Y116 HydrophobicContact CB-CD2 3.66Å; E114-Y116 HydrophobicContact CB-CE2 3.44Å; E114-Y116 VanDerWaalsContact CB-CE2 3.44Å; E114-Y116 HydrophobicContact CG-CE2 3.89Å; E114-Y116 PolarHBondContact O-N 3.14Å; E114-Y116 VanDerWaalsContact O-N 3.12Å; E114-Y116 PolarHBondContact OE1-OH 3.29Å; E114-Y116 VanDerWaalsContact OE2-CE2 3.24Å; E114-Y116 WeakPolarHBondContact OE2-CE2 3.48Å; E114-K235 HydrophobicContact CG-CD 4.34Å; E114-K235 WeakPolarHBondContact OE1-CE 3.25Å; E114-K235 IonicContact OE1-NZ 2.71Å; E114-K235 PolarHBondContact OE1-NZ 3.18Å; E114-K235 IonicContact OE2-NZ 3.23Å; E114-H237 IonicContact OE2-CE1 2.95Å; E114-H237 PolarHBondContact OE2-CE1 3.41Å; E114-H237 IonicContact OE2-NE2 3.78Å; E114-H237 PolarHBondContact OE2-NE2 3.44Å
115	D	63.1	Low	71.2	Confident	129 Å²	129	75.1 Å²	75.1	69%	0.69	42%	0.421	S	S	*	.			trans	-84.1	75.3	170.2	-150.7	5.7	0	0	0	108.2	E113	E113-D115 PolarHBondContact O-N 2.76Å
116	Y	66.3	Low	73.3	Confident	70 Å²	70	75.2 Å²	75.2	28%	0.275	41%	0.413	S	S	.	.			trans	-71.4	133.1	175.3	-75.3	-76.6	0	0	0	109.8	E114 V118 I244 W247	E114-Y116 VanDerWaalsContact C-N 3.26Å; E114-Y116 HydrophobicContact CB-CD2 3.66Å; E114-Y116 HydrophobicContact CB-CE2 3.44Å; E114-Y116 VanDerWaalsContact CB-CE2 3.44Å; E114-Y116 HydrophobicContact CG-CE2 3.89Å; E114-Y116 PolarHBondContact O-N 3.14Å; E114-Y116 VanDerWaalsContact O-N 3.12Å; E114-Y116 PolarHBondContact OE1-OH 3.29Å; E114-Y116 VanDerWaalsContact OE2-CE2 3.24Å; E114-Y116 WeakPolarHBondContact OE2-CE2 3.48Å; Y116-V118 PolarHBondContact O-N 3.23Å; Y116-I244 HydrophobicContact CD2-CG2 3.63Å; Y116-I244 HydrophobicContact CE2-CG2 4.41Å; Y116-I244 HydrophobicContact CG-CG2 4.44Å; Y116-W247 HydrophobicContact CE1-CH2 4.31Å; Y116-W247 HydrophobicContact CE1-CZ3 4.26Å; Y116-W247 HydrophobicContact CE2-CE3 4.03Å; Y116-W247 AromaticContact CE2-CZ3 3.74Å; Y116-W247 HydrophobicContact CE2-CZ3 3.74Å; Y116-W247 AromaticContact CZ-CH2 3.83Å; Y116-W247 AromaticContact CZ-CZ3 3.47Å; Y116-W247 VanDerWaalsContact CZ-CZ3 3.47Å; Y116-W247 WeakPolarHBondContact OH-CH2 3.36Å; Y116-W247 WeakPolarHBondContact OH-CZ3 3.44Å
117	D	71.7	Confident	75.5	Confident	93 Å²	93	76.8 Å²	76.8	50%	0.497	42%	0.424	S	S	.	.			trans	-61.1	109.4	162.4	179.7	2.3	0	0	0	108.1	N119 N120 I121	D117-N119 PolarHBondContact O-N 3.27Å; D117-N119 VanDerWaalsContact OD1-CB 3.31Å; D117-N119 WeakPolarHBondContact OD1-CB 3.36Å; D117-N119 PolarHBondContact OD1-N 3.21Å; D117-N119 PolarHBondContact OD1-ND2 3.28Å; D117-N120 HydrophobicContact CB-CB 4.31Å; D117-N120 CarbonylContact O-C 3.51Å; D117-N120 PolarHBondContact O-N 3.13Å; D117-I121 PolarHBondContact O-N 3.15Å
118	V	70	Confident	77.6	Confident	66 Å²	66	75.1 Å²	75.1	40%	0.4	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-54.4	-24.4	179.4	-68.6	0	0	0	0	112.8	Y116 N120 I121 Y241 I244	Y116-V118 PolarHBondContact O-N 3.23Å; V118-N120 VanDerWaalsContact C-N 3.29Å; V118-N120 PolarHBondContact O-N 2.78Å; V118-I121 HydrophobicContact CB-CD1 4.33Å; V118-I121 HydrophobicContact CG1-CD1 4.35Å; V118-Y241 HydrophobicContact CG1-CD1 4.26Å; V118-Y241 HydrophobicContact CG1-CG 4.45Å; V118-I244 HydrophobicContact CG1-CD1 3.96Å; V118-I244 HydrophobicContact CG1-CG1 4.17Å
119	N	71.6	Confident	79.7	Confident	141 Å²	141	71 Å²	71	75%	0.754	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-79.3	-11.7	178.2	-54.6	-65.9	0	0	0	113.6	D117	D117-N119 PolarHBondContact O-N 3.27Å; D117-N119 VanDerWaalsContact OD1-CB 3.31Å; D117-N119 WeakPolarHBondContact OD1-CB 3.36Å; D117-N119 PolarHBondContact OD1-N 3.21Å; D117-N119 PolarHBondContact OD1-ND2 3.28Å
120	N	77.2	Confident	81.6	Confident	138 Å²	138	67.3 Å²	67.3	74%	0.738	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-125.9	23.8	-175.9	-137.6	-2.8	0	0	0	112.2	D117 V118 G122	D117-N120 HydrophobicContact CB-CB 4.31Å; D117-N120 CarbonylContact O-C 3.51Å; D117-N120 PolarHBondContact O-N 3.13Å; V118-N120 VanDerWaalsContact C-N 3.29Å; V118-N120 PolarHBondContact O-N 2.78Å; N120-G122 PolarHBondContact O-N 2.87Å
121	I	80.8	Confident	83	Confident	37 Å²	37	71.4 Å²	71.4	19%	0.19	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.2	127	172.4	-74.1	171.4	0	0	0	108.9	D117 V118 T243 I244 W247	D117-I121 PolarHBondContact O-N 3.15Å; V118-I121 HydrophobicContact CB-CD1 4.33Å; V118-I121 HydrophobicContact CG1-CD1 4.35Å; I121-T243 HydrophobicContact CD1-CG2 3.71Å; I121-T243 HydrophobicContact CG2-CG2 4.39Å; I121-I244 HydrophobicContact CD1-CB 4.32Å; I121-I244 HydrophobicContact CD1-CG1 3.47Å; I121-I244 VanDerWaalsContact CD1-CG1 3.47Å; I121-I244 HydrophobicContact CG1-CG1 4.32Å; I121-W247 HydrophobicContact CG2-CB 3.72Å; I121-W247 HydrophobicContact CG2-CG 3.86Å
122	G	84	Confident	84.1	Confident	37 Å²	37	76.6 Å²	76.6	38%	0.381	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61.6	169.2	178.2	0	0	0	0	0	113.1	N120 W247	N120-G122 PolarHBondContact O-N 2.87Å; G122-W247 VanDerWaalsContact O-CD1 3.31Å
123	W	91.9	Very high	85	Confident	190 Å²	190	77.6 Å²	77.6	72%	0.72	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-64	144.4	-179.3	179.7	86.6	0	0	0	112.8	P125 Y250	W123-P125 HydrophobicContact CH2-CB 3.95Å; W123-P125 HydrophobicContact CH2-CG 4.44Å; W123-P125 HydrophobicContact CZ2-CB 4.3Å; W123-Y250 HydrophobicContact CZ3-CE1 4.35Å
124	T	94.5	Very high	86.2	Confident	22 Å²	22	80 Å²	80	14%	0.135	40%	0.403	C	S	.	.			trans	-138.4	150.9	167.2	51.4	0	0	0	0	110.3	K246 W247 Y250	T124-K246 WeakPolarHBondContact OG1-CE 3.21Å; T124-W247 HydrophobicContact CG2-CB 4.16Å; T124-W247 HydrophobicContact CG2-CG 4.37Å; T124-Y250 HydrophobicContact CG2-CD1 3.73Å; T124-Y250 HydrophobicContact CG2-CG 4.01Å
125	P	97.2	Very high	87.6	Confident	26 Å²	26	79.3 Å²	79.3	17%	0.169	40%	0.401	C	S	.	.			trans	-65.3	166.1	171.6	29.5	-35.8	0	0	0	111.8	W123 S127 Y128 K246 Y250 Y292	W123-P125 HydrophobicContact CH2-CB 3.95Å; W123-P125 HydrophobicContact CH2-CG 4.44Å; W123-P125 HydrophobicContact CZ2-CB 4.3Å; P125-S127 VanDerWaalsContact C-N 3.31Å; P125-Y128 HydrophobicContact CG-CD2 4Å; P125-Y128 HydrophobicContact CG-CG 4.46Å; P125-K246 WeakPolarHBondContact O-CE 3.39Å; P125-K246 PolarHBondContact O-NZ 3.49Å; P125-Y250 VanDerWaalsContact CD-CE2 3.45Å; P125-Y250 HydrophobicContact CG-CD2 3.77Å; P125-Y250 HydrophobicContact CG-CE2 3.64Å; P125-Y250 HydrophobicContact CG-CG 4.48Å; P125-Y292 WeakPolarHBondContact O-CE2 3.37Å; P125-Y292 PolarHBondContact O-OH 2.66Å
126	D	95.8	Very high	89.3	Confident	111 Å²	111	73.6 Å²	73.6	59%	0.594	37%	0.371	S	S	*	.	S	Bend	trans	-73.4	-26	177.4	-63.4	-31.7	0	0	0	112.7	Y294	D126-Y294 HydrophobicContact CB-CD1 4.15Å; D126-Y294 HydrophobicContact CB-CE1 3.69Å
127	S	98	Very high	90.7	Very high	53 Å²	53	70.7 Å²	70.7	37%	0.371	36%	0.36	S	S	.	.			trans	-140.2	141	176.4	-63.2	0	0	0	0	110.4	P125 Y292 G293 Y294	P125-S127 VanDerWaalsContact C-N 3.31Å; S127-Y292 WeakPolarHBondContact CA-O 3.3Å; S127-G293 VanDerWaalsContact OG-CA 3.24Å; S127-G293 WeakPolarHBondContact OG-CA 3.35Å; S127-Y294 WeakPolarHBondContact OG-CD1 3.46Å; S127-Y294 WeakPolarHBondContact OG-CE1 3.23Å
128	Y	98.5	Very high	91.9	Very high	44 Å²	44	71.7 Å²	71.7	17%	0.173	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	139.7	177	-161.8	-98.5	0	0	0	110.6	P125 W130 F133 Y250 G291 Y292	P125-Y128 HydrophobicContact CG-CD2 4Å; P125-Y128 HydrophobicContact CG-CG 4.46Å; Y128-W130 AromaticContact CE1-CD2 3.72Å; Y128-W130 HydrophobicContact CE1-CD2 3.72Å; Y128-W130 AromaticContact CE1-CE2 3.48Å; Y128-W130 VanDerWaalsContact CE1-CE2 3.48Å; Y128-W130 HydrophobicContact CE1-CE3 4.09Å; Y128-W130 HydrophobicContact CE1-CG 4.22Å; Y128-W130 HydrophobicContact CE1-CH2 4.09Å; Y128-W130 AromaticContact CE1-CZ2 3.69Å; Y128-W130 HydrophobicContact CE1-CZ2 3.69Å; Y128-W130 HydrophobicContact CE1-CZ3 4.26Å; Y128-W130 AromaticContact CE1-NE1 3.81Å; Y128-W130 WeakPolarHBondContact OH-CH2 3.26Å; Y128-F133 HydrophobicContact CE1-CE2 4.09Å; Y128-F133 HydrophobicContact CE2-CE2 4.02Å; Y128-F133 AromaticContact CE2-CZ 3.9Å; Y128-F133 HydrophobicContact CE2-CZ 3.9Å; Y128-F133 AromaticContact CZ-CE2 3.62Å; Y128-F133 AromaticContact CZ-CZ 3.74Å; Y128-F133 WeakPolarHBondContact OH-CZ 3.3Å; Y128-Y250 AromaticContact CD1-CD2 3.97Å; Y128-Y250 HydrophobicContact CD1-CD2 3.97Å; Y128-Y250 AromaticContact CD2-CD2 3.47Å; Y128-Y250 HydrophobicContact CD2-CD2 3.47Å; Y128-Y250 VanDerWaalsContact CD2-CD2 3.47Å; Y128-Y250 AromaticContact CD2-CE2 3.54Å; Y128-Y250 HydrophobicContact CD2-CE2 3.54Å; Y128-Y250 HydrophobicContact CE1-CD2 4.12Å; Y128-Y250 AromaticContact CE2-CD2 3.64Å; Y128-Y250 HydrophobicContact CE2-CD2 3.64Å; Y128-Y250 AromaticContact CE2-CE2 3.44Å; Y128-Y250 HydrophobicContact CE2-CE2 3.44Å; Y128-Y250 VanDerWaalsContact CE2-CE2 3.44Å; Y128-Y250 AromaticContact CG-CD2 3.62Å; Y128-Y250 HydrophobicContact CG-CD2 3.62Å; Y128-Y250 HydrophobicContact CG-CE2 4.2Å; Y128-Y250 AromaticContact CZ-CD2 3.95Å; Y128-G291 CarbonylContact O-C 3.6Å; Y128-G291 WeakPolarHBondContact O-CA 3.19Å; Y128-Y292 PolarHBondContact N-O 2.87Å; Y128-Y292 PolarHBondContact O-N 3.29Å; Y128-Y292 VanDerWaalsContact O-O 3.1Å
129	D	98.5	Very high	93.2	Very high	21 Å²	21	69.1 Å²	69.1	11%	0.112	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	111.3	-176.4	-168.7	-20	0	0	0	111.7	R131 H132 F133	D129-R131 VanDerWaalsContact CG-NE 3.31Å; D129-R131 PolarHBondContact O-N 3.49Å; D129-R131 WeakPolarHBondContact OD1-CB 3.46Å; D129-R131 WeakPolarHBondContact OD1-CG 3.22Å; D129-R131 PolarHBondContact OD1-N 2.97Å; D129-R131 IonicContact OD1-NE 2.71Å; D129-R131 PolarHBondContact OD1-NE 2.66Å; D129-R131 IonicContact OD2-CZ 2.93Å; D129-R131 IonicContact OD2-NE 3.09Å; D129-R131 PolarHBondContact OD2-NE 3.44Å; D129-R131 IonicContact OD2-NH2 3.34Å; D129-R131 PolarHBondContact OD2-NH2 2.79Å; D129-H132 PolarHBondContact O-N 3.44Å; D129-F133 WeakPolarHBondContact O-CD2 3.25Å; D129-F133 WeakPolarHBondContact O-CE2 3.36Å
130	W	98.4	Very high	94.5	Very high	22 Å²	22	64.4 Å²	64.4	8%	0.083	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-64.9	-17.7	-178.9	-78.5	113.2	0	0	0	114.1	Y128 H132 F133 I135 V136 L163 V249 Y250 G253 P254 V290	Y128-W130 AromaticContact CE1-CD2 3.72Å; Y128-W130 HydrophobicContact CE1-CD2 3.72Å; Y128-W130 AromaticContact CE1-CE2 3.48Å; Y128-W130 VanDerWaalsContact CE1-CE2 3.48Å; Y128-W130 HydrophobicContact CE1-CE3 4.09Å; Y128-W130 HydrophobicContact CE1-CG 4.22Å; Y128-W130 HydrophobicContact CE1-CH2 4.09Å; Y128-W130 AromaticContact CE1-CZ2 3.69Å; Y128-W130 HydrophobicContact CE1-CZ2 3.69Å; Y128-W130 HydrophobicContact CE1-CZ3 4.26Å; Y128-W130 AromaticContact CE1-NE1 3.81Å; Y128-W130 WeakPolarHBondContact OH-CH2 3.26Å; W130-H132 PolarHBondContact O-N 3.34Å; W130-F133 HydrophobicContact CE3-CB 4.07Å; W130-F133 AromaticContact CE3-CD2 3.92Å; W130-F133 HydrophobicContact CE3-CD2 3.92Å; W130-F133 HydrophobicContact CE3-CG 4.07Å; W130-F133 HydrophobicContact CZ3-CB 4.4Å; W130-F133 HydrophobicContact CZ3-CD2 4.39Å; W130-F133 HydrophobicContact CZ3-CG 4.26Å; W130-F133 PolarHBondContact O-N 2.83Å; W130-F133 VanDerWaalsContact O-N 3.09Å; W130-I135 HydrophobicContact CB-CD1 3.95Å; W130-I135 HydrophobicContact CB-CG1 4.24Å; W130-I135 HydrophobicContact CD2-CD1 3.63Å; W130-I135 HydrophobicContact CD2-CG1 4.46Å; W130-I135 HydrophobicContact CE3-CD1 3.34Å; W130-I135 HydrophobicContact CE3-CG1 3.9Å; W130-I135 HydrophobicContact CG-CD1 3.93Å; W130-I135 HydrophobicContact CZ3-CD1 4.07Å; W130-V136 HydrophobicContact CB-CG2 3.83Å; W130-L163 HydrophobicContact CE3-CD2 4.42Å; W130-L163 HydrophobicContact CH2-CD2 4Å; W130-L163 HydrophobicContact CZ3-CD2 3.76Å; W130-V249 PolarHBondContact NE1-O 3.05Å; W130-Y250 WeakPolarHBondContact CZ2-O 3.39Å; W130-G253 VanDerWaalsContact CE2-CA 3.47Å; W130-P254 HydrophobicContact CB-CG 3.98Å; W130-P254 HydrophobicContact CG-CG 3.88Å; W130-V290 VanDerWaalsContact CB-O 3.29Å; W130-V290 WeakPolarHBondContact CB-O 3.27Å; W130-V290 PolarHBondContact N-O 3.4Å
131	R	97.3	Very high	95.3	Very high	90 Å²	90	61.9 Å²	61.9	34%	0.34	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.5	176.6	-60.8	177.6	-62.2	170	2.7	111.8	D129 F133 V136 V290 Y317	D129-R131 VanDerWaalsContact CG-NE 3.31Å; D129-R131 PolarHBondContact O-N 3.49Å; D129-R131 WeakPolarHBondContact OD1-CB 3.46Å; D129-R131 WeakPolarHBondContact OD1-CG 3.22Å; D129-R131 PolarHBondContact OD1-N 2.97Å; D129-R131 IonicContact OD1-NE 2.71Å; D129-R131 PolarHBondContact OD1-NE 2.66Å; D129-R131 IonicContact OD2-CZ 2.93Å; D129-R131 IonicContact OD2-NE 3.09Å; D129-R131 PolarHBondContact OD2-NE 3.44Å; D129-R131 IonicContact OD2-NH2 3.34Å; D129-R131 PolarHBondContact OD2-NH2 2.79Å; R131-F133 PolarHBondContact O-N 2.91Å; R131-V136 HydrophobicContact CG-CG2 4.48Å; R131-V290 HydrophobicContact CG-CB 4.45Å; R131-V290 HydrophobicContact CG-CG2 4.09Å; R131-Y317 VanDerWaalsContact CD-CZ 3.47Å; R131-Y317 HydrophobicContact CG-CE1 4.12Å
132	H	97.1	Very high	96	Very high	151 Å²	151	60.3 Å²	60.3	70%	0.699	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-75.8	-7	178.6	-57.6	154.3	0	0	0	114.3	D129 W130	D129-H132 PolarHBondContact O-N 3.44Å; W130-H132 PolarHBondContact O-N 3.34Å
133	F	96	Very high	96.3	Very high	106 Å²	106	61 Å²	61	47%	0.465	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-110.4	12.3	-171.9	-62.8	-91.6	0	0	0	114.1	Y128 D129 W130 R131 I135	Y128-F133 HydrophobicContact CE1-CE2 4.09Å; Y128-F133 HydrophobicContact CE2-CE2 4.02Å; Y128-F133 AromaticContact CE2-CZ 3.9Å; Y128-F133 HydrophobicContact CE2-CZ 3.9Å; Y128-F133 AromaticContact CZ-CE2 3.62Å; Y128-F133 AromaticContact CZ-CZ 3.74Å; Y128-F133 WeakPolarHBondContact OH-CZ 3.3Å; D129-F133 WeakPolarHBondContact O-CD2 3.25Å; D129-F133 WeakPolarHBondContact O-CE2 3.36Å; W130-F133 HydrophobicContact CE3-CB 4.07Å; W130-F133 AromaticContact CE3-CD2 3.92Å; W130-F133 HydrophobicContact CE3-CD2 3.92Å; W130-F133 HydrophobicContact CE3-CG 4.07Å; W130-F133 HydrophobicContact CZ3-CB 4.4Å; W130-F133 HydrophobicContact CZ3-CD2 4.39Å; W130-F133 HydrophobicContact CZ3-CG 4.26Å; W130-F133 PolarHBondContact O-N 2.83Å; W130-F133 VanDerWaalsContact O-N 3.09Å; R131-F133 PolarHBondContact O-N 2.91Å; F133-I135 HydrophobicContact CB-CG1 4.42Å; F133-I135 PolarHBondContact O-N 3.43Å; F133-I135 VanDerWaalsContact O-N 3.15Å
134	N	94.8	Very high	96.2	Very high	106 Å²	106	57.3 Å²	57.3	57%	0.567	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	32	-179.7	-167.8	41.6	0	0	0	114.4	R168	N134-R168 WeakPolarHBondContact O-CD 3.22Å; N134-R168 VanDerWaalsContact O-CG 3.29Å; N134-R168 WeakPolarHBondContact O-CG 3.21Å; N134-R168 WeakPolarHBondContact OD1-CD 3.21Å; N134-R168 PolarHBondContact OD1-NH1 2.93Å
135	I	97	Very high	96.1	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.062	30%	0.3	C	S	.	.			trans	-107.6	-17.6	174.6	61.5	146	0	0	0	113.2	W130 F133 S159 A162 L163 P254	W130-I135 HydrophobicContact CB-CD1 3.95Å; W130-I135 HydrophobicContact CB-CG1 4.24Å; W130-I135 HydrophobicContact CD2-CD1 3.63Å; W130-I135 HydrophobicContact CD2-CG1 4.46Å; W130-I135 HydrophobicContact CE3-CD1 3.34Å; W130-I135 HydrophobicContact CE3-CG1 3.9Å; W130-I135 HydrophobicContact CG-CD1 3.93Å; W130-I135 HydrophobicContact CZ3-CD1 4.07Å; F133-I135 HydrophobicContact CB-CG1 4.42Å; F133-I135 PolarHBondContact O-N 3.43Å; F133-I135 VanDerWaalsContact O-N 3.15Å; I135-S159 WeakPolarHBondContact O-CA 3.36Å; I135-A162 HydrophobicContact CB-CB 3.97Å; I135-A162 HydrophobicContact CG2-CB 4.09Å; I135-L163 HydrophobicContact CB-CG 4.34Å; I135-L163 HydrophobicContact CD1-CD1 3.82Å; I135-L163 HydrophobicContact CD1-CD2 3.84Å; I135-L163 HydrophobicContact CD1-CG 3.61Å; I135-L163 HydrophobicContact CG2-CD2 4.04Å; I135-L163 HydrophobicContact CG2-CG 4.05Å; I135-P254 HydrophobicContact CD1-CG 3.99Å
136	V	97.7	Very high	95.8	Very high	10 Å²	10	55.5 Å²	55.5	6%	0.061	30%	0.295	C	S	.	.	S	Bend	trans	-94.4	122.3	179.9	-176.1	0	0	0	0	108.4	W130 R131 P254 L288 V290	W130-V136 HydrophobicContact CB-CG2 3.83Å; R131-V136 HydrophobicContact CG-CG2 4.48Å; V136-P254 HydrophobicContact CG2-CG 4.28Å; V136-L288 HydrophobicContact CG1-CD2 4.29Å; V136-V290 HydrophobicContact CG1-CG1 3.96Å; V136-V290 HydrophobicContact CG2-CB 4.38Å; V136-V290 HydrophobicContact CG2-CG1 3.99Å
137	N	97.3	Very high	95.8	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.043	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-72.2	159.4	171.6	-80.6	-38.9	0	0	0	111.2	E158 R168 K169 Q305	N137-E158 PolarHBondContact ND2-OE2 2.98Å; N137-R168 PolarHBondContact OD1-NE 2.98Å; N137-R168 PolarHBondContact OD1-NH2 3.42Å; N137-K169 PolarHBondContact ND2-O 2.99Å; N137-Q305 PolarHBondContact O-NE2 2.91Å
138	E	96.9	Very high	95.7	Very high	114 Å²	114	48 Å²	48	53%	0.533	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-58.2	147.1	175.9	-63.4	-61.6	153	0	0	112.4	R140 Q305	E138-R140 PolarHBondContact O-N 3.14Å; E138-Q305 VanDerWaalsContact C-NE2 3.32Å
139	P	97.6	Very high	95.6	Very high	13 Å²	13	46 Å²	46	8%	0.084	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-52.9	128.6	173.2	-25.4	34.3	0	0	0	111.9	Q305 T310 Q315 Y317	P139-Q305 VanDerWaalsContact CA-NE2 3.31Å; P139-Q305 HydrophobicContact CB-CG 4.33Å; P139-Q305 HydrophobicContact CG-CG 4.03Å; P139-T310 HydrophobicContact CB-CG2 4.29Å; P139-T310 HydrophobicContact CG-CG2 4.34Å; P139-Q315 WeakPolarHBondContact CG-O 3.49Å; P139-Y317 HydrophobicContact CG-CD2 4.24Å; P139-Y317 HydrophobicContact CG-CE2 3.63Å
140	R	97.1	Very high	95.5	Very high	41 Å²	41	45 Å²	45	16%	0.155	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-88.1	171.1	174.3	-60.3	-176.1	176.9	-145.8	9.1	110.4	E138 F151 E158 F171 E208 N307 W308 G309	E138-R140 PolarHBondContact O-N 3.14Å; R140-F151 HydrophobicContact CB-CD1 3.82Å; R140-F151 HydrophobicContact CB-CE1 3.74Å; R140-E158 IonicContact CZ-OE1 2.87Å; R140-E158 IonicContact NE-OE1 3.69Å; R140-E158 IonicContact NH2-OE1 3.8Å; R140-E158 PolarHBondContact NH2-OE1 2.97Å; R140-F171 PolarHBondContact NH1-O 3.31Å; R140-F171 PolarHBondContact NH2-O 3.4Å; R140-E208 IonicContact CZ-OE2 2.64Å; R140-E208 IonicContact NH1-OE2 2.64Å; R140-E208 PolarHBondContact NH1-OE2 3.17Å; R140-E208 IonicContact NH2-OE2 3.47Å; R140-N307 CarbonylContact O-C 3.48Å; R140-N307 VanDerWaalsContact O-CA 3.27Å; R140-N307 WeakPolarHBondContact O-CA 3.44Å; R140-W308 PolarHBondContact O-N 3.23Å; R140-G309 WeakPolarHBondContact O-CA 3.34Å; R140-G309 PolarHBondContact O-N 3.14Å
141	D	95.5	Very high	95.5	Very high	85 Å²	85	44.3 Å²	44.3	46%	0.455	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-124.5	118.7	177.6	-165.3	-20.1	0	0	0	109.4	G143 N307	D141-G143 VanDerWaalsContact C-N 3.28Å; D141-G143 PolarHBondContact OD1-N 3.24Å; D141-N307 WeakPolarHBondContact CA-O 3.49Å
142	E	94.6	Very high	95.6	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.023	22%	0.221	C	C	.	.			trans	-78.2	-12.7	177.6	73.2	-179.4	167.8	0	0	113.3	S144 C145 G147 S148 F151 N307 W308	E142-S144 PolarHBondContact O-N 2.71Å; E142-C145 VanDerWaalsContact CB-O 3.25Å; E142-C145 WeakPolarHBondContact CB-O 3.34Å; E142-C145 WeakPolarHBondContact CG-O 3.22Å; E142-C145 WeakPolarHBondContact O-CB 3.38Å; E142-C145 PolarHBondContact O-N 2.93Å; E142-G147 PolarHBondContact OE2-N 2.57Å; E142-S148 PolarHBondContact OE2-N 3.39Å; E142-F151 HydrophobicContact CB-CD2 3.78Å; E142-F151 HydrophobicContact CB-CE2 3.32Å; E142-F151 HydrophobicContact CB-CZ 3.77Å; E142-N307 PolarHBondContact N-O 3.26Å; E142-N307 PolarHBondContact OE2-ND2 2.83Å; E142-W308 VanDerWaalsContact OE1-CD1 3.25Å; E142-W308 PolarHBondContact OE1-NE1 3.09Å
143	G	91.4	Very high	95.6	Very high	51 Å²	51	33 Å²	33	53%	0.526	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-124.4	-178.6	0	0	0	0	0	111.8	D141	D141-G143 VanDerWaalsContact C-N 3.28Å; D141-G143 PolarHBondContact OD1-N 3.24Å
144	S	88.2	Confident	95.7	Very high	113 Å²	113	28 Å²	28	79%	0.79	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.2	177	53.7	0	0	0	0	113.9	E142	E142-S144 PolarHBondContact O-N 2.71Å
145	C	93.5	Very high	95.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	15%	0.145	C	C	.	.			trans	-85.8	122.1	178.6	-179.7	0	0	0	0	109.5	E142 G147 C188 F213	E142-C145 VanDerWaalsContact CB-O 3.25Å; E142-C145 WeakPolarHBondContact CB-O 3.34Å; E142-C145 WeakPolarHBondContact CG-O 3.22Å; E142-C145 WeakPolarHBondContact O-CB 3.38Å; E142-C145 PolarHBondContact O-N 2.93Å; C145-G147 VanDerWaalsContact C-N 3.26Å; C145-G147 PolarHBondContact O-N 3.41Å; C145-C188 HydrophobicContact CB-CB 3.83Å; C145-C188 WeakPolarHBondContact CB-SG 3.47Å; C145-C188 WeakPolarHBondContact SG-CA 3.14Å; C145-C188 WeakPolarHBondContact SG-CB 3.34Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 3.45Å; C145-F213 HydrophobicContact CB-CE2 4.41Å; C145-F213 HydrophobicContact CB-CZ 3.98Å
146	I	91.5	Very high	96	Very high	9 Å²	9	23.2 Å²	23.2	5%	0.046	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-86.2	78.1	176.5	-59.1	-174.5	0	0	0	108.5	M93 Y94 C188 G190	M93-I146 HydrophobicContact CB-CD1 3.05Å; M93-I146 HydrophobicContact CB-CG1 4.42Å; M93-I146 HydrophobicContact CE-CD1 3.78Å; M93-I146 HydrophobicContact CG-CD1 4.11Å; M93-I146 HydrophobicContact SD-CD1 4.1Å; Y94-I146 HydrophobicContact CD1-CG2 3.57Å; Y94-I146 HydrophobicContact CD2-CD1 4.37Å; Y94-I146 HydrophobicContact CD2-CG2 4.31Å; Y94-I146 HydrophobicContact CE1-CG2 3.27Å; Y94-I146 HydrophobicContact CE2-CD1 4.36Å; Y94-I146 HydrophobicContact CE2-CG2 4.05Å; Y94-I146 HydrophobicContact CG-CG2 4.09Å; I146-C188 WeakPolarHBondContact CB-O 3.45Å; I146-C188 PolarHBondContact N-O 2.9Å; I146-C188 CarbonylContact O-C 3.56Å; I146-G190 WeakPolarHBondContact O-CA 3.43Å; I146-G190 PolarHBondContact O-N 3.05Å
147	G	94.6	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.139	C	C	.	.			trans	-112.4	13	-170.9	0	0	0	0	0	113.5	E142 C145 Y149 A150 F151	E142-G147 PolarHBondContact OE2-N 2.57Å; C145-G147 VanDerWaalsContact C-N 3.26Å; C145-G147 PolarHBondContact O-N 3.41Å; G147-Y149 PolarHBondContact O-N 2.94Å; G147-A150 WeakPolarHBondContact O-CA 3.19Å; G147-A150 WeakPolarHBondContact O-CB 3.39Å; G147-A150 PolarHBondContact O-N 3.04Å; G147-F151 WeakPolarHBondContact O-CD2 3.39Å; G147-F151 PolarHBondContact O-N 3.47Å
148	S	95.9	Very high	96.1	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-50.9	-36.8	-169.9	65	0	0	0	0	114.7	E142 A150 F151 A152 Q285	E142-S148 PolarHBondContact OE2-N 3.39Å; S148-A150 PolarHBondContact O-N 3.49Å; S148-F151 PolarHBondContact O-N 2.04Å; S148-A152 WeakPolarHBondContact O-CB 3.48Å; S148-A152 PolarHBondContact O-N 3.03Å; S148-Q285 PolarHBondContact OG-OE1 3.41Å
149	Y	95.9	Very high	96.2	Very high	2 Å²	2	17 Å²	17	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-55	-47.8	170.9	73.8	-75.5	0	0	0	112.5	G147 V153 N185 G187 G190 G191 L196	G147-Y149 PolarHBondContact O-N 2.94Å; Y149-V153 WeakPolarHBondContact O-CG2 3.37Å; Y149-V153 PolarHBondContact O-N 2.96Å; Y149-V153 VanDerWaalsContact O-N 3.15Å; Y149-N185 HydrophobicContact CE2-CB 3.99Å; Y149-G187 WeakPolarHBondContact CE1-O 3.43Å; Y149-G187 WeakPolarHBondContact OH-CA 3.4Å; Y149-G187 PolarHBondContact OH-O 2.95Å; Y149-G190 VanDerWaalsContact CE1-C 3.42Å; Y149-G191 VanDerWaalsContact CD1-N 3.27Å; Y149-L196 HydrophobicContact CD2-CD1 3.58Å; Y149-L196 HydrophobicContact CD2-CD2 3.62Å; Y149-L196 HydrophobicContact CD2-CG 4.26Å; Y149-L196 HydrophobicContact CE2-CD1 3.78Å; Y149-L196 HydrophobicContact CE2-CD2 4.03Å; Y149-L196 HydrophobicContact CE2-CG 4.47Å
150	A	97.6	Very high	96.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.1	-43.8	178.7	0	0	0	0	0	112	G147 S148 A152 T154 V173 F176 I177 L196	G147-A150 WeakPolarHBondContact O-CA 3.19Å; G147-A150 WeakPolarHBondContact O-CB 3.39Å; G147-A150 PolarHBondContact O-N 3.04Å; S148-A150 PolarHBondContact O-N 3.49Å; A150-A152 PolarHBondContact O-N 2.74Å; A150-T154 VanDerWaalsContact O-CB 3.29Å; A150-T154 WeakPolarHBondContact O-CB 3.39Å; A150-T154 PolarHBondContact O-N 2.89Å; A150-T154 PolarHBondContact O-OG1 3.24Å; A150-V173 HydrophobicContact CB-CG1 3.87Å; A150-F176 HydrophobicContact CB-CB 3.77Å; A150-I177 HydrophobicContact CB-CG1 4.02Å; A150-L196 HydrophobicContact CB-CD2 4.18Å
151	F	98.2	Very high	96.2	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.035	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-45.9	177.3	-83.4	-88.1	0	0	0	111.8	R140 E142 G147 S148 T154 A155 V173 F213 N307	R140-F151 HydrophobicContact CB-CD1 3.82Å; R140-F151 HydrophobicContact CB-CE1 3.74Å; E142-F151 HydrophobicContact CB-CD2 3.78Å; E142-F151 HydrophobicContact CB-CE2 3.32Å; E142-F151 HydrophobicContact CB-CZ 3.77Å; G147-F151 WeakPolarHBondContact O-CD2 3.39Å; G147-F151 PolarHBondContact O-N 3.47Å; S148-F151 PolarHBondContact O-N 2.04Å; F151-T154 PolarHBondContact O-N 3.37Å; F151-A155 WeakPolarHBondContact O-CB 3.3Å; F151-A155 PolarHBondContact O-N 2.95Å; F151-V173 HydrophobicContact CD1-CG1 4.14Å; F151-V173 HydrophobicContact CD1-CG2 3.85Å; F151-V173 HydrophobicContact CD2-CG1 3.64Å; F151-V173 HydrophobicContact CE1-CB 4.45Å; F151-V173 HydrophobicContact CE1-CG1 4.14Å; F151-V173 HydrophobicContact CE1-CG2 3.98Å; F151-V173 HydrophobicContact CE2-CG1 3.62Å; F151-V173 HydrophobicContact CG-CG1 3.89Å; F151-V173 HydrophobicContact CG-CG2 4.27Å; F151-V173 HydrophobicContact CZ-CB 4.47Å; F151-V173 HydrophobicContact CZ-CG1 3.88Å; F151-V173 HydrophobicContact CZ-CG2 4.48Å; F151-F213 AromaticContact CE2-CE2 3.91Å; F151-F213 HydrophobicContact CE2-CE2 3.91Å; F151-F213 AromaticContact CE2-CZ 3.87Å; F151-F213 HydrophobicContact CE2-CZ 3.87Å; F151-F213 HydrophobicContact CZ-CD1 4.25Å; F151-F213 HydrophobicContact CZ-CD2 4.17Å; F151-F213 AromaticContact CZ-CE1 3.86Å; F151-F213 HydrophobicContact CZ-CE1 3.86Å; F151-F213 AromaticContact CZ-CE2 3.77Å; F151-F213 HydrophobicContact CZ-CE2 3.77Å; F151-F213 HydrophobicContact CZ-CG 4.39Å; F151-F213 AromaticContact CZ-CZ 3.58Å; F151-F213 HydrophobicContact CZ-CZ 3.58Å; F151-N307 HydrophobicContact CB-CB 3.62Å; F151-N307 HydrophobicContact CD1-CB 4.01Å; F151-N307 HydrophobicContact CG-CB 3.84Å
152	A	98.2	Very high	96.3	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.033	9%	0.086	C	C	.	.	H	α-helix	trans	-71.3	-39.4	-176.1	0	0	0	0	0	112.7	S148 A150 T154 A155 V156 V256	S148-A152 WeakPolarHBondContact O-CB 3.48Å; S148-A152 PolarHBondContact O-N 3.03Å; A150-A152 PolarHBondContact O-N 2.74Å; A152-T154 VanDerWaalsContact C-N 3.34Å; A152-A155 PolarHBondContact O-N 2.82Å; A152-V156 PolarHBondContact O-N 3.35Å; A152-V256 HydrophobicContact CB-CB 4.47Å; A152-V256 HydrophobicContact CB-CG2 3.45Å; A152-V256 VanDerWaalsContact CB-CG2 3.45Å
153	V	98.3	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-38.4	173.3	177.9	0	0	0	0	111	Y149 V156 T157 F176 T193 L196 F197 V256	Y149-V153 WeakPolarHBondContact O-CG2 3.37Å; Y149-V153 PolarHBondContact O-N 2.96Å; Y149-V153 VanDerWaalsContact O-N 3.15Å; V153-V156 VanDerWaalsContact O-CG1 3.22Å; V153-V156 WeakPolarHBondContact O-CG1 3.42Å; V153-T157 WeakPolarHBondContact O-CB 3.46Å; V153-T157 PolarHBondContact O-N 2.92Å; V153-T157 PolarHBondContact O-OG1 2.86Å; V153-F176 HydrophobicContact CB-CE2 4.21Å; V153-F176 HydrophobicContact CG1-CE2 3.8Å; V153-F176 HydrophobicContact CG1-CZ 3.73Å; V153-T193 HydrophobicContact CG2-CG2 3.64Å; V153-L196 HydrophobicContact CB-CB 4.17Å; V153-L196 HydrophobicContact CB-CD2 3.8Å; V153-L196 HydrophobicContact CG1-CB 3.72Å; V153-L196 HydrophobicContact CG1-CD2 4.2Å; V153-L196 HydrophobicContact CG2-CB 4.03Å; V153-L196 HydrophobicContact CG2-CD2 3.83Å; V153-F197 HydrophobicContact CG1-CE1 4.34Å; V153-F197 HydrophobicContact CG1-CE2 4.46Å; V153-F197 HydrophobicContact CG1-CZ 4.18Å; V153-F197 HydrophobicContact CG2-CE2 3.97Å; V153-F197 HydrophobicContact CG2-CZ 4.15Å; V153-V256 HydrophobicContact CG2-CG1 4.47Å
154	T	98.7	Very high	96.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-61.3	-49.2	174	-55.9	0	0	0	0	110.4	A150 F151 A152 V156 T157 E158 F171 V173 F176	A150-T154 VanDerWaalsContact O-CB 3.29Å; A150-T154 WeakPolarHBondContact O-CB 3.39Å; A150-T154 PolarHBondContact O-N 2.89Å; A150-T154 PolarHBondContact O-OG1 3.24Å; F151-T154 PolarHBondContact O-N 3.37Å; A152-T154 VanDerWaalsContact C-N 3.34Å; T154-V156 PolarHBondContact O-N 3.37Å; T154-T157 WeakPolarHBondContact O-CB 3.41Å; T154-T157 PolarHBondContact O-N 3.14Å; T154-T157 VanDerWaalsContact O-N 3.08Å; T154-E158 HydrophobicContact CG2-CG 4.42Å; T154-E158 VanDerWaalsContact O-CG 3.29Å; T154-E158 WeakPolarHBondContact O-CG 3.31Å; T154-E158 PolarHBondContact O-N 2.91Å; T154-F171 HydrophobicContact CG2-CB 3.94Å; T154-F171 WeakPolarHBondContact CG2-O 3.47Å; T154-V173 HydrophobicContact CG2-CG2 3.87Å; T154-F176 WeakPolarHBondContact OG1-CD2 3.47Å
155	A	98.6	Very high	96.8	Very high	16 Å²	16	14 Å²	14	13%	0.132	7%	0.069	C	C	.	.	H	α-helix	trans	-62	-38.6	-178.3	0	0	0	0	0	113.4	F151 A152 S159 L288	F151-A155 WeakPolarHBondContact O-CB 3.3Å; F151-A155 PolarHBondContact O-N 2.95Å; A152-A155 PolarHBondContact O-N 2.82Å; A155-S159 PolarHBondContact O-N 3.35Å; A155-S159 PolarHBondContact O-OG 3.31Å; A155-L288 HydrophobicContact CB-CB 4.32Å; A155-L288 HydrophobicContact CB-CD2 4.03Å
156	V	98.6	Very high	96.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.4	-37.3	174.2	71.2	0	0	0	0	111.3	A152 V153 T154 E158 S159 Q160 F197 P254 V256 L288 R336 P337	A152-V156 PolarHBondContact O-N 3.35Å; V153-V156 VanDerWaalsContact O-CG1 3.22Å; V153-V156 WeakPolarHBondContact O-CG1 3.42Å; T154-V156 PolarHBondContact O-N 3.37Å; V156-E158 VanDerWaalsContact C-N 3.35Å; V156-E158 PolarHBondContact O-N 3.17Å; V156-S159 PolarHBondContact O-N 2.82Å; V156-Q160 HydrophobicContact CG2-CG 4.39Å; V156-Q160 WeakPolarHBondContact O-CB 3.25Å; V156-Q160 VanDerWaalsContact O-CG 3.29Å; V156-Q160 WeakPolarHBondContact O-CG 3.47Å; V156-Q160 PolarHBondContact O-N 3.34Å; V156-F197 HydrophobicContact CG1-CE1 4.48Å; V156-F197 HydrophobicContact CG1-CZ 4.33Å; V156-P254 VanDerWaalsContact CG2-O 3.22Å; V156-P254 WeakPolarHBondContact CG2-O 3.48Å; V156-V256 HydrophobicContact CG1-CB 4.21Å; V156-V256 HydrophobicContact CG1-CG1 4.34Å; V156-L288 HydrophobicContact CB-CD1 3.45Å; V156-L288 VanDerWaalsContact CB-CD1 3.45Å; V156-L288 HydrophobicContact CG2-CD1 3.91Å; V156-R336 HydrophobicContact CG2-CB 4.07Å; V156-P337 HydrophobicContact CG1-CG 4.43Å
157	T	98.5	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176.6	-57.9	0	0	0	0	111.2	V153 T154 Q160 Y161 F171 L200 L205 V229 L339	V153-T157 WeakPolarHBondContact O-CB 3.46Å; V153-T157 PolarHBondContact O-N 2.92Å; V153-T157 PolarHBondContact O-OG1 2.86Å; T154-T157 WeakPolarHBondContact O-CB 3.41Å; T154-T157 PolarHBondContact O-N 3.14Å; T154-T157 VanDerWaalsContact O-N 3.08Å; T157-Q160 PolarHBondContact O-N 2.93Å; T157-Y161 WeakPolarHBondContact O-CB 3.47Å; T157-Y161 PolarHBondContact O-N 2.92Å; T157-F171 HydrophobicContact CG2-CD2 4.17Å; T157-F171 HydrophobicContact CG2-CE2 4.4Å; T157-L200 HydrophobicContact CG2-CD1 4.29Å; T157-L200 HydrophobicContact CG2-CD2 4.07Å; T157-L205 HydrophobicContact CG2-CD1 4.2Å; T157-V229 HydrophobicContact CG2-CG1 3.89Å; T157-V229 HydrophobicContact CG2-CG2 4.13Å; T157-L339 HydrophobicContact CG2-CD2 4.23Å
158	E	98.5	Very high	97	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-44.3	173.9	-67.9	172.8	168.3	0	0	112.2	N137 R140 T154 V156 Y161 A162 K169 K170 F171	N137-E158 PolarHBondContact ND2-OE2 2.98Å; R140-E158 IonicContact CZ-OE1 2.87Å; R140-E158 IonicContact NE-OE1 3.69Å; R140-E158 IonicContact NH2-OE1 3.8Å; R140-E158 PolarHBondContact NH2-OE1 2.97Å; T154-E158 HydrophobicContact CG2-CG 4.42Å; T154-E158 VanDerWaalsContact O-CG 3.29Å; T154-E158 WeakPolarHBondContact O-CG 3.31Å; T154-E158 PolarHBondContact O-N 2.91Å; V156-E158 VanDerWaalsContact C-N 3.35Å; V156-E158 PolarHBondContact O-N 3.17Å; E158-Y161 WeakPolarHBondContact O-CB 3.21Å; E158-Y161 PolarHBondContact O-N 3.3Å; E158-A162 WeakPolarHBondContact O-CB 3.45Å; E158-A162 PolarHBondContact O-N 2.79Å; E158-K169 VanDerWaalsContact CG-O 3.31Å; E158-K169 WeakPolarHBondContact CG-O 3.42Å; E158-K170 VanDerWaalsContact OE1-CA 3.26Å; E158-K170 WeakPolarHBondContact OE1-CA 3.46Å; E158-F171 HydrophobicContact CB-CD2 4.42Å; E158-F171 HydrophobicContact CG-CB 4.4Å; E158-F171 HydrophobicContact CG-CD2 3.55Å; E158-F171 HydrophobicContact CG-CE2 4.27Å; E158-F171 HydrophobicContact CG-CG 4.37Å; E158-F171 PolarHBondContact OE1-N 3.31Å
159	S	98.4	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-43.4	178.9	-59.4	0	0	0	0	111.7	I135 A155 V156 Y161 A162 L163	I135-S159 WeakPolarHBondContact O-CA 3.36Å; A155-S159 PolarHBondContact O-N 3.35Å; A155-S159 PolarHBondContact O-OG 3.31Å; V156-S159 PolarHBondContact O-N 2.82Å; S159-Y161 VanDerWaalsContact C-N 3.32Å; S159-Y161 PolarHBondContact O-N 3.14Å; S159-A162 PolarHBondContact O-N 2.85Å; S159-L163 WeakPolarHBondContact O-CB 3.21Å; S159-L163 WeakPolarHBondContact O-CG 3.49Å; S159-L163 PolarHBondContact O-N 2.71Å
160	Q	98	Very high	97.2	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-33.8	175.5	-67.8	-62.2	-43.5	0	0	112.2	V156 T157 R164 E252 P337 L339	V156-Q160 HydrophobicContact CG2-CG 4.39Å; V156-Q160 WeakPolarHBondContact O-CB 3.25Å; V156-Q160 VanDerWaalsContact O-CG 3.29Å; V156-Q160 WeakPolarHBondContact O-CG 3.47Å; V156-Q160 PolarHBondContact O-N 3.34Å; T157-Q160 PolarHBondContact O-N 2.93Å; Q160-R164 WeakPolarHBondContact O-CG 3.44Å; Q160-R164 PolarHBondContact O-N 2.92Å; Q160-E252 PolarHBondContact NE2-O 3.13Å; Q160-P337 HydrophobicContact CB-CG 4.42Å; Q160-P337 HydrophobicContact CG-CG 4.11Å; Q160-L339 HydrophobicContact CB-CD1 3.81Å; Q160-L339 HydrophobicContact CB-CG 4.08Å
161	Y	97.8	Very high	97.2	Very high	21 Å²	21	34.9 Å²	34.9	8%	0.082	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-46.9	173.8	-176.8	-87.9	0	0	0	111.1	T157 E158 S159 L163 R164 T165 N167 K169 F171 V228 V229 F342	T157-Y161 WeakPolarHBondContact O-CB 3.47Å; T157-Y161 PolarHBondContact O-N 2.92Å; E158-Y161 WeakPolarHBondContact O-CB 3.21Å; E158-Y161 PolarHBondContact O-N 3.3Å; S159-Y161 VanDerWaalsContact C-N 3.32Å; S159-Y161 PolarHBondContact O-N 3.14Å; Y161-L163 PolarHBondContact O-N 3.49Å; Y161-R164 PolarHBondContact O-N 2.82Å; Y161-T165 HydrophobicContact CD1-CG2 4.3Å; Y161-T165 WeakPolarHBondContact CD1-OG1 3.4Å; Y161-T165 HydrophobicContact CD2-CG2 4.33Å; Y161-T165 HydrophobicContact CE1-CG2 4Å; Y161-T165 WeakPolarHBondContact CE1-OG1 3.19Å; Y161-T165 HydrophobicContact CE2-CG2 4.04Å; Y161-T165 HydrophobicContact CG-CG2 4.45Å; Y161-T165 WeakPolarHBondContact O-CB 3.42Å; Y161-T165 WeakPolarHBondContact O-CG2 3.33Å; Y161-T165 PolarHBondContact O-N 2.77Å; Y161-T165 PolarHBondContact O-OG1 3.4Å; Y161-N167 VanDerWaalsContact CD1-O 3.31Å; Y161-N167 WeakPolarHBondContact CD1-O 3.21Å; Y161-K169 HydrophobicContact CD1-CB 4Å; Y161-K169 HydrophobicContact CE1-CB 3.85Å; Y161-K169 HydrophobicContact CE1-CD 4.32Å; Y161-F171 HydrophobicContact CD1-CE2 4.39Å; Y161-F171 HydrophobicContact CD1-CZ 4.21Å; Y161-F171 HydrophobicContact CD2-CE2 4.05Å; Y161-F171 AromaticContact CD2-CZ 3.59Å; Y161-F171 HydrophobicContact CD2-CZ 3.59Å; Y161-F171 AromaticContact CE2-CZ 3.96Å; Y161-F171 HydrophobicContact CE2-CZ 3.96Å; Y161-F171 AromaticContact CG-CE2 3.82Å; Y161-F171 HydrophobicContact CG-CE2 3.82Å; Y161-F171 AromaticContact CG-CZ 3.74Å; Y161-F171 HydrophobicContact CG-CZ 3.74Å; Y161-V228 HydrophobicContact CE2-CG1 4.3Å; Y161-V229 HydrophobicContact CD2-CB 4.26Å; Y161-V229 HydrophobicContact CD2-CG2 4.17Å; Y161-F342 AromaticContact CD2-CE1 4Å; Y161-F342 HydrophobicContact CD2-CE1 4Å; Y161-F342 AromaticContact CD2-CE2 3.89Å; Y161-F342 HydrophobicContact CD2-CE2 3.89Å; Y161-F342 AromaticContact CD2-CZ 3.32Å; Y161-F342 HydrophobicContact CD2-CZ 3.32Å; Y161-F342 HydrophobicContact CE2-CD1 4.38Å; Y161-F342 AromaticContact CE2-CE1 3.54Å; Y161-F342 HydrophobicContact CE2-CE1 3.54Å; Y161-F342 HydrophobicContact CE2-CE2 4.05Å; Y161-F342 AromaticContact CE2-CZ 3.35Å; Y161-F342 HydrophobicContact CE2-CZ 3.35Å; Y161-F342 HydrophobicContact CG-CZ 4.49Å
162	A	97.3	Very high	97.2	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-39.8	179	0	0	0	0	0	112	I135 E158 S159 R164 S166 N167 R168	I135-A162 HydrophobicContact CB-CB 3.97Å; I135-A162 HydrophobicContact CG2-CB 4.09Å; E158-A162 WeakPolarHBondContact O-CB 3.45Å; E158-A162 PolarHBondContact O-N 2.79Å; S159-A162 PolarHBondContact O-N 2.85Å; A162-R164 PolarHBondContact O-N 3.12Å; A162-S166 VanDerWaalsContact O-CA 3.24Å; A162-S166 WeakPolarHBondContact O-CA 3.42Å; A162-S166 PolarHBondContact O-N 3.4Å; A162-N167 WeakPolarHBondContact CA-O 3.43Å; A162-R168 HydrophobicContact CB-CG 4.14Å
163	L	96.3	Very high	97.2	Very high	60 Å²	60	34.3 Å²	34.3	31%	0.314	17%	0.172	S	C	.	.	H	α-helix	trans	-56.8	-35.8	174.2	-84.4	167.8	0	0	0	113.3	W130 I135 S159 Y161	W130-L163 HydrophobicContact CE3-CD2 4.42Å; W130-L163 HydrophobicContact CH2-CD2 4Å; W130-L163 HydrophobicContact CZ3-CD2 3.76Å; I135-L163 HydrophobicContact CB-CG 4.34Å; I135-L163 HydrophobicContact CD1-CD1 3.82Å; I135-L163 HydrophobicContact CD1-CD2 3.84Å; I135-L163 HydrophobicContact CD1-CG 3.61Å; I135-L163 HydrophobicContact CG2-CD2 4.04Å; I135-L163 HydrophobicContact CG2-CG 4.05Å; S159-L163 WeakPolarHBondContact O-CB 3.21Å; S159-L163 WeakPolarHBondContact O-CG 3.49Å; S159-L163 PolarHBondContact O-N 2.71Å; Y161-L163 PolarHBondContact O-N 3.49Å
164	R	94.1	Very high	97.3	Very high	112 Å²	112	34.3 Å²	34.3	42%	0.423	17%	0.172	S	C	.	.	H	α-helix	trans	-90	-33.7	-176.2	-69.6	178.6	175.1	-144.3	5.4	113.8	Q160 Y161 A162 L339 F342	Q160-R164 WeakPolarHBondContact O-CG 3.44Å; Q160-R164 PolarHBondContact O-N 2.92Å; Y161-R164 PolarHBondContact O-N 2.82Å; A162-R164 PolarHBondContact O-N 3.12Å; R164-L339 PolarHBondContact NH1-O 3.44Å; R164-L339 PolarHBondContact NH2-O 2.82Å; R164-F342 HydrophobicContact CB-CD2 4.39Å; R164-F342 HydrophobicContact CB-CE2 4.35Å
165	T	95.1	Very high	97.2	Very high	42 Å²	42	34.4 Å²	34.4	26%	0.258	17%	0.172	S	C	.	.	H	α-helix	trans	-105.5	-9.6	-171.3	63.7	0	0	0	0	113.1	Y161 N167 F342	Y161-T165 HydrophobicContact CD1-CG2 4.3Å; Y161-T165 WeakPolarHBondContact CD1-OG1 3.4Å; Y161-T165 HydrophobicContact CD2-CG2 4.33Å; Y161-T165 HydrophobicContact CE1-CG2 4Å; Y161-T165 WeakPolarHBondContact CE1-OG1 3.19Å; Y161-T165 HydrophobicContact CE2-CG2 4.04Å; Y161-T165 HydrophobicContact CG-CG2 4.45Å; Y161-T165 WeakPolarHBondContact O-CB 3.42Å; Y161-T165 WeakPolarHBondContact O-CG2 3.33Å; Y161-T165 PolarHBondContact O-N 2.77Å; Y161-T165 PolarHBondContact O-OG1 3.4Å; T165-N167 PolarHBondContact O-N 2.82Å; T165-N167 VanDerWaalsContact O-N 3.13Å; T165-N167 PolarHBondContact OG1-N 2.86Å; T165-N167 PolarHBondContact OG1-O 3.08Å; T165-F342 HydrophobicContact CG2-CD2 3.55Å; T165-F342 HydrophobicContact CG2-CE2 3.75Å; T165-F342 HydrophobicContact CG2-CG 4.08Å; T165-F342 HydrophobicContact CG2-CZ 4.45Å
166	S	94.1	Very high	97.2	Very high	117 Å²	117	33.6 Å²	33.6	82%	0.818	17%	0.166	S	C	*	.	S	Bend	trans	55	19.5	-166.8	-54.9	0	0	0	0	113.6	A162	A162-S166 VanDerWaalsContact O-CA 3.24Å; A162-S166 WeakPolarHBondContact O-CA 3.42Å; A162-S166 PolarHBondContact O-N 3.4Å
167	N	93.7	Very high	97.2	Very high	84 Å²	84	33.6 Å²	33.6	45%	0.449	17%	0.166	S	C	.	.			trans	-125.4	122.6	-179.1	-172	7.7	0	0	0	110.6	Y161 A162 T165	Y161-N167 VanDerWaalsContact CD1-O 3.31Å; Y161-N167 WeakPolarHBondContact CD1-O 3.21Å; A162-N167 WeakPolarHBondContact CA-O 3.43Å; T165-N167 PolarHBondContact O-N 2.82Å; T165-N167 VanDerWaalsContact O-N 3.13Å; T165-N167 PolarHBondContact OG1-N 2.86Å; T165-N167 PolarHBondContact OG1-O 3.08Å
168	R	96	Very high	97.2	Very high	84 Å²	84	33.9 Å²	33.9	32%	0.317	17%	0.167	S	C	.	.			trans	-76.8	127.8	173.1	-80.1	173.6	47.7	-172.8	-4.1	109.9	N134 N137 A162	N134-R168 WeakPolarHBondContact O-CD 3.22Å; N134-R168 VanDerWaalsContact O-CG 3.29Å; N134-R168 WeakPolarHBondContact O-CG 3.21Å; N134-R168 WeakPolarHBondContact OD1-CD 3.21Å; N134-R168 PolarHBondContact OD1-NH1 2.93Å; N137-R168 PolarHBondContact OD1-NE 2.98Å; N137-R168 PolarHBondContact OD1-NH2 3.42Å; A162-R168 HydrophobicContact CB-CG 4.14Å
169	K	96.3	Very high	97.2	Very high	63 Å²	63	34.2 Å²	34.2	27%	0.274	17%	0.17	S	C	.	.			trans	-130.2	150.5	175.3	-173.6	159.1	-81	-170	0	109.5	N137 E158 Y161 F171 T207 V228	N137-K169 PolarHBondContact ND2-O 2.99Å; E158-K169 VanDerWaalsContact CG-O 3.31Å; E158-K169 WeakPolarHBondContact CG-O 3.42Å; Y161-K169 HydrophobicContact CD1-CB 4Å; Y161-K169 HydrophobicContact CE1-CB 3.85Å; Y161-K169 HydrophobicContact CE1-CD 4.32Å; K169-F171 HydrophobicContact CB-CE2 4.48Å; K169-F171 HydrophobicContact CB-CZ 4.18Å; K169-F171 HydrophobicContact CD-CE1 3.81Å; K169-F171 HydrophobicContact CD-CZ 4.02Å; K169-F171 HydrophobicContact CG-CD1 4.49Å; K169-F171 HydrophobicContact CG-CE1 3.98Å; K169-F171 HydrophobicContact CG-CZ 4.06Å; K169-T207 HydrophobicContact CD-CG2 3.86Å; K169-T207 HydrophobicContact CG-CG2 4.35Å; K169-V228 HydrophobicContact CD-CG1 3.9Å
170	K	98.3	Very high	97.1	Very high	109 Å²	109	34.2 Å²	34.2	47%	0.474	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-100	123.8	171	-75.7	-171.6	177.5	-175.8	0	108.9	E158 T207 E208	E158-K170 VanDerWaalsContact OE1-CA 3.26Å; E158-K170 WeakPolarHBondContact OE1-CA 3.46Å; K170-T207 WeakPolarHBondContact O-CA 3.32Å; K170-E208 HydrophobicContact CB-CB 3.78Å; K170-E208 PolarHBondContact O-N 3.04Å
171	F	98.5	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-100.6	160.3	174.8	-65.2	-61.9	0	0	0	111.1	R140 T154 T157 E158 Y161 K169 V173 L205 E206 E208 V228 V229	R140-F171 PolarHBondContact NH1-O 3.31Å; R140-F171 PolarHBondContact NH2-O 3.4Å; T154-F171 HydrophobicContact CG2-CB 3.94Å; T154-F171 WeakPolarHBondContact CG2-O 3.47Å; T157-F171 HydrophobicContact CG2-CD2 4.17Å; T157-F171 HydrophobicContact CG2-CE2 4.4Å; E158-F171 HydrophobicContact CB-CD2 4.42Å; E158-F171 HydrophobicContact CG-CB 4.4Å; E158-F171 HydrophobicContact CG-CD2 3.55Å; E158-F171 HydrophobicContact CG-CE2 4.27Å; E158-F171 HydrophobicContact CG-CG 4.37Å; E158-F171 PolarHBondContact OE1-N 3.31Å; Y161-F171 HydrophobicContact CD1-CE2 4.39Å; Y161-F171 HydrophobicContact CD1-CZ 4.21Å; Y161-F171 HydrophobicContact CD2-CE2 4.05Å; Y161-F171 AromaticContact CD2-CZ 3.59Å; Y161-F171 HydrophobicContact CD2-CZ 3.59Å; Y161-F171 AromaticContact CE2-CZ 3.96Å; Y161-F171 HydrophobicContact CE2-CZ 3.96Å; Y161-F171 AromaticContact CG-CE2 3.82Å; Y161-F171 HydrophobicContact CG-CE2 3.82Å; Y161-F171 AromaticContact CG-CZ 3.74Å; Y161-F171 HydrophobicContact CG-CZ 3.74Å; K169-F171 HydrophobicContact CB-CE2 4.48Å; K169-F171 HydrophobicContact CB-CZ 4.18Å; K169-F171 HydrophobicContact CD-CE1 3.81Å; K169-F171 HydrophobicContact CD-CZ 4.02Å; K169-F171 HydrophobicContact CG-CD1 4.49Å; K169-F171 HydrophobicContact CG-CE1 3.98Å; K169-F171 HydrophobicContact CG-CZ 4.06Å; F171-V173 PolarHBondContact O-N 2.94Å; F171-L205 HydrophobicContact CB-CB 4.39Å; F171-L205 HydrophobicContact CB-CD1 4.08Å; F171-L205 HydrophobicContact CD1-CB 4.46Å; F171-E206 WeakPolarHBondContact CA-O 3.45Å; F171-E206 WeakPolarHBondContact CD1-O 3.45Å; F171-E208 VanDerWaalsContact O-OE2 3.08Å; F171-V228 HydrophobicContact CE1-CB 3.98Å; F171-V228 HydrophobicContact CE1-CG1 3.89Å; F171-V228 HydrophobicContact CZ-CG1 4.4Å; F171-V229 HydrophobicContact CD1-CG1 3.72Å; F171-V229 HydrophobicContact CD2-CG1 3.98Å; F171-V229 HydrophobicContact CE1-CB 3.95Å; F171-V229 HydrophobicContact CE1-CG1 3.46Å; F171-V229 VanDerWaalsContact CE1-CG1 3.46Å; F171-V229 HydrophobicContact CE2-CB 4.23Å; F171-V229 HydrophobicContact CE2-CG1 3.74Å; F171-V229 HydrophobicContact CG-CG1 3.99Å; F171-V229 HydrophobicContact CZ-CB 3.71Å; F171-V229 HydrophobicContact CZ-CG1 3.48Å; F171-V229 VanDerWaalsContact CZ-CG1 3.48Å; F171-V229 HydrophobicContact CZ-CG2 4.49Å
172	S	98.6	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-73	116.3	-176.1	-178.7	0	0	0	0	111.9	Q174 Q175 E206 Y211	S172-Q174 PolarHBondContact OG-N 3.17Å; S172-Q175 WeakPolarHBondContact OG-CB 3.46Å; S172-Q175 PolarHBondContact OG-N 2.93Å; S172-E206 PolarHBondContact N-O 3.36Å; S172-Y211 VanDerWaalsContact CB-O 3.25Å; S172-Y211 WeakPolarHBondContact CB-O 3.5Å; S172-Y211 WeakPolarHBondContact OG-CB 3.24Å; S172-Y211 PolarHBondContact OG-O 2.88Å
173	V	98.4	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.2	-36	166.4	179.3	0	0	0	0	110.4	A150 F151 T154 F171 Q175 F176 I177 F213	A150-V173 HydrophobicContact CB-CG1 3.87Å; F151-V173 HydrophobicContact CD1-CG1 4.14Å; F151-V173 HydrophobicContact CD1-CG2 3.85Å; F151-V173 HydrophobicContact CD2-CG1 3.64Å; F151-V173 HydrophobicContact CE1-CB 4.45Å; F151-V173 HydrophobicContact CE1-CG1 4.14Å; F151-V173 HydrophobicContact CE1-CG2 3.98Å; F151-V173 HydrophobicContact CE2-CG1 3.62Å; F151-V173 HydrophobicContact CG-CG1 3.89Å; F151-V173 HydrophobicContact CG-CG2 4.27Å; F151-V173 HydrophobicContact CZ-CB 4.47Å; F151-V173 HydrophobicContact CZ-CG1 3.88Å; F151-V173 HydrophobicContact CZ-CG2 4.48Å; T154-V173 HydrophobicContact CG2-CG2 3.87Å; F171-V173 PolarHBondContact O-N 2.94Å; V173-Q175 VanDerWaalsContact C-N 3.32Å; V173-Q175 PolarHBondContact O-N 3.2Å; V173-F176 PolarHBondContact O-N 3Å; V173-F176 VanDerWaalsContact O-N 3.14Å; V173-I177 HydrophobicContact CG1-CD1 3.91Å; V173-I177 HydrophobicContact CG1-CG1 4.45Å; V173-I177 PolarHBondContact O-N 2.81Å; V173-F213 HydrophobicContact CG1-CD2 4.48Å
174	Q	98.5	Very high	96.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-38.5	-176.5	-167.3	65.5	53.3	0	0	112.2	S172 F176 I177 D178 Y211 P212 T214 G216	S172-Q174 PolarHBondContact OG-N 3.17Å; Q174-F176 VanDerWaalsContact C-N 3.27Å; Q174-F176 PolarHBondContact O-N 3.09Å; Q174-I177 WeakPolarHBondContact O-CB 3.22Å; Q174-I177 PolarHBondContact O-N 3.49Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.38Å; Q174-D178 VanDerWaalsContact NE2-CG 3.28Å; Q174-D178 PolarHBondContact NE2-OD1 3.4Å; Q174-D178 PolarHBondContact NE2-OD2 2.8Å; Q174-D178 PolarHBondContact O-N 3.14Å; Q174-Y211 HydrophobicContact CB-CD1 3.78Å; Q174-Y211 HydrophobicContact CB-CE1 3.82Å; Q174-Y211 HydrophobicContact CG-CD1 3.8Å; Q174-Y211 HydrophobicContact CG-CE1 3.39Å; Q174-P212 WeakPolarHBondContact CB-O 3.36Å; Q174-T214 PolarHBondContact OE1-OG1 3.44Å; Q174-T214 VanDerWaalsContact OE1-OG1 3.04Å; Q174-G216 PolarHBondContact NE2-O 2.66Å
175	Q	98.6	Very high	96.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-42.8	174.8	-175.9	-179.8	-4.8	0	0	111.5	S172 V173 C179 Y199 G204 L205 Y211 A222	S172-Q175 WeakPolarHBondContact OG-CB 3.46Å; S172-Q175 PolarHBondContact OG-N 2.93Å; V173-Q175 VanDerWaalsContact C-N 3.32Å; V173-Q175 PolarHBondContact O-N 3.2Å; Q175-C179 WeakPolarHBondContact O-CB 3.27Å; Q175-C179 PolarHBondContact O-N 2.75Å; Q175-C179 PolarHBondContact O-SG 2.67Å; Q175-C179 VanDerWaalsContact O-SG 3.41Å; Q175-Y199 HydrophobicContact CG-CE1 4.27Å; Q175-Y199 WeakPolarHBondContact CG-OH 3.43Å; Q175-Y199 PolarHBondContact NE2-OH 3.32Å; Q175-G204 PolarHBondContact NE2-O 3.19Å; Q175-G204 VanDerWaalsContact NE2-O 3.13Å; Q175-L205 HydrophobicContact CB-CD2 4.28Å; Q175-L205 HydrophobicContact CG-CD2 4.23Å; Q175-Y211 HydrophobicContact CB-CD2 3.73Å; Q175-Y211 HydrophobicContact CB-CE2 3.95Å; Q175-Y211 HydrophobicContact CB-CG 4.28Å; Q175-Y211 HydrophobicContact CG-CD2 4.11Å; Q175-Y211 HydrophobicContact CG-CE2 4.17Å; Q175-A222 HydrophobicContact CG-CB 4.1Å
176	F	98.3	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-45.4	174.2	-77.5	-47.7	0	0	0	111.9	A150 V153 T154 V173 Q174 D178 T180 L196 Y199 L200 L205	A150-F176 HydrophobicContact CB-CB 3.77Å; V153-F176 HydrophobicContact CB-CE2 4.21Å; V153-F176 HydrophobicContact CG1-CE2 3.8Å; V153-F176 HydrophobicContact CG1-CZ 3.73Å; T154-F176 WeakPolarHBondContact OG1-CD2 3.47Å; V173-F176 PolarHBondContact O-N 3Å; V173-F176 VanDerWaalsContact O-N 3.14Å; Q174-F176 VanDerWaalsContact C-N 3.27Å; Q174-F176 PolarHBondContact O-N 3.09Å; F176-D178 VanDerWaalsContact C-N 3.33Å; F176-D178 PolarHBondContact O-N 3.24Å; F176-T180 HydrophobicContact CD1-CG2 3.94Å; F176-T180 WeakPolarHBondContact O-CB 3.32Å; F176-T180 WeakPolarHBondContact O-CG2 3.27Å; F176-T180 PolarHBondContact O-N 2.87Å; F176-T180 PolarHBondContact O-OG1 3.2Å; F176-L196 HydrophobicContact CB-CD2 4.01Å; F176-L196 HydrophobicContact CB-CG 4.33Å; F176-L196 HydrophobicContact CD1-CB 4.04Å; F176-L196 HydrophobicContact CD1-CD2 3.94Å; F176-L196 HydrophobicContact CD1-CG 3.6Å; F176-L196 HydrophobicContact CD2-CD2 3.89Å; F176-L196 HydrophobicContact CD2-CG 4.45Å; F176-L196 HydrophobicContact CE1-CB 3.73Å; F176-L196 HydrophobicContact CE1-CD2 4.29Å; F176-L196 HydrophobicContact CE1-CG 3.85Å; F176-L196 HydrophobicContact CE2-CD2 4.25Å; F176-L196 HydrophobicContact CG-CD2 3.72Å; F176-L196 HydrophobicContact CG-CG 3.92Å; F176-L196 HydrophobicContact CZ-CB 4.08Å; F176-L196 HydrophobicContact CZ-CD2 4.43Å; F176-L196 HydrophobicContact CZ-CG 4.38Å; F176-Y199 AromaticContact CD1-CD1 3.8Å; F176-Y199 HydrophobicContact CD1-CD1 3.8Å; F176-Y199 HydrophobicContact CD1-CE1 4.28Å; F176-Y199 HydrophobicContact CD1-CG 4.45Å; F176-Y199 AromaticContact CE1-CD1 3.6Å; F176-Y199 HydrophobicContact CE1-CD1 3.6Å; F176-Y199 HydrophobicContact CE1-CE1 4.3Å; F176-Y199 HydrophobicContact CE1-CG 4.37Å; F176-L200 HydrophobicContact CZ-CB 4.44Å; F176-L205 HydrophobicContact CD1-CD2 4.14Å; F176-L205 HydrophobicContact CD2-CD1 4.42Å; F176-L205 HydrophobicContact CD2-CD2 4.11Å; F176-L205 HydrophobicContact CE1-CD2 3.9Å; F176-L205 HydrophobicContact CE1-CG 4.42Å; F176-L205 HydrophobicContact CE2-CD1 3.53Å; F176-L205 HydrophobicContact CE2-CD2 3.86Å; F176-L205 HydrophobicContact CE2-CG 4.19Å; F176-L205 HydrophobicContact CG-CD2 4.26Å; F176-L205 HydrophobicContact CZ-CD1 3.61Å; F176-L205 HydrophobicContact CZ-CD2 3.75Å; F176-L205 HydrophobicContact CZ-CG 3.94Å
177	I	98	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.3	-45.5	-179.3	-70.8	169	0	0	0	111.4	A150 V173 Q174 F213	A150-I177 HydrophobicContact CB-CG1 4.02Å; V173-I177 HydrophobicContact CG1-CD1 3.91Å; V173-I177 HydrophobicContact CG1-CG1 4.45Å; V173-I177 PolarHBondContact O-N 2.81Å; Q174-I177 WeakPolarHBondContact O-CB 3.22Å; Q174-I177 PolarHBondContact O-N 3.49Å; I177-F213 HydrophobicContact CD1-CD2 4.13Å; I177-F213 HydrophobicContact CD1-CE2 3.64Å
178	D	98.3	Very high	96.3	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-85.1	-40.6	-173.7	-63.1	-25.8	0	0	0	112.5	Q174 F176 R181 Y211 Q218 C220	Q174-D178 WeakPolarHBondContact CG-OD2 3.38Å; Q174-D178 VanDerWaalsContact NE2-CG 3.28Å; Q174-D178 PolarHBondContact NE2-OD1 3.4Å; Q174-D178 PolarHBondContact NE2-OD2 2.8Å; Q174-D178 PolarHBondContact O-N 3.14Å; F176-D178 VanDerWaalsContact C-N 3.33Å; F176-D178 PolarHBondContact O-N 3.24Å; D178-R181 IonicContact OD1-NH2 3.67Å; D178-Y211 VanDerWaalsContact CB-OH 3.31Å; D178-Y211 WeakPolarHBondContact CB-OH 3.33Å; D178-Y211 PolarHBondContact OD2-OH 3.05Å; D178-Q218 WeakPolarHBondContact OD1-CA 3.45Å; D178-Q218 PolarHBondContact OD1-N 2.94Å; D178-C220 HydrophobicContact CB-CB 4.36Å
179	C	98.2	Very high	96.2	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-92.1	-8.7	-168.3	-58.1	0	0	0	0	114.8	Q175 Y199 C220	Q175-C179 WeakPolarHBondContact O-CB 3.27Å; Q175-C179 PolarHBondContact O-N 2.75Å; Q175-C179 PolarHBondContact O-SG 2.67Å; Q175-C179 VanDerWaalsContact O-SG 3.41Å; C179-Y199 HydrophobicContact CB-CE2 3.69Å; C179-Y199 WeakPolarHBondContact CB-OH 3.39Å; C179-C220 VanDerWaalsContact CA-SG 3.56Å; C179-C220 HydrophobicContact CB-CB 3.88Å; C179-C220 WeakPolarHBondContact CB-SG 3.43Å; C179-C220 WeakPolarHBondContact SG-CB 3.22Å; C179-C220 CovalentContact SG-SG 2.04Å; C179-C220 PolarHBondContact SG-SG 3.28Å
180	T	96.8	Very high	96	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.8	-176.5	68.8	0	0	0	0	114.8	F176 I182 Y183 N185 L196 Y199	F176-T180 HydrophobicContact CD1-CG2 3.94Å; F176-T180 WeakPolarHBondContact O-CB 3.32Å; F176-T180 WeakPolarHBondContact O-CG2 3.27Å; F176-T180 PolarHBondContact O-N 2.87Å; F176-T180 PolarHBondContact O-OG1 3.2Å; T180-I182 PolarHBondContact O-N 2.8Å; T180-Y183 WeakPolarHBondContact O-CA 3.4Å; T180-Y183 WeakPolarHBondContact O-CB 3.29Å; T180-Y183 PolarHBondContact O-N 2.76Å; T180-N185 WeakPolarHBondContact CB-ND2 3.25Å; T180-N185 PolarHBondContact O-N 2.99Å; T180-N185 PolarHBondContact OG1-ND2 2.99Å; T180-L196 HydrophobicContact CG2-CD1 4.45Å; T180-L196 HydrophobicContact CG2-CG 4.46Å; T180-Y199 HydrophobicContact CG2-CD1 4.29Å; T180-Y199 HydrophobicContact CG2-CD2 3.74Å; T180-Y199 HydrophobicContact CG2-CE2 4.35Å; T180-Y199 HydrophobicContact CG2-CG 3.7Å
181	R	94.6	Very high	95.8	Very high	88 Å²	88	24.7 Å²	24.7	33%	0.332	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-60.1	-34.5	174.9	-62.9	-176.5	-171.9	134.4	14	112.8	D178 Y183 G184 N185 D217 Q218	D178-R181 IonicContact OD1-NH2 3.67Å; R181-Y183 PolarHBondContact O-N 3Å; R181-G184 PolarHBondContact O-N 2.96Å; R181-N185 WeakPolarHBondContact CA-O 3.21Å; R181-D217 IonicContact CZ-OD1 2.77Å; R181-D217 IonicContact NE-OD1 2.82Å; R181-D217 VanDerWaalsContact NH2-CA 3.33Å; R181-D217 VanDerWaalsContact NH2-CG 3.3Å; R181-D217 IonicContact NH2-OD1 3.23Å; R181-D217 PolarHBondContact NH2-OD1 3.17Å; R181-Q218 VanDerWaalsContact CZ-O 3.29Å; R181-Q218 PolarHBondContact NH1-O 3.47Å; R181-Q218 PolarHBondContact NH2-O 2.72Å
182	I	93	Very high	95.5	Very high	146 Å²	146	26.5 Å²	26.5	75%	0.749	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-64.8	-17.4	174.2	66.2	173.2	0	0	0	113.2	T180	T180-I182 PolarHBondContact O-N 2.8Å
183	Y	91.2	Very high	95.2	Very high	62 Å²	62	26.5 Å²	26.5	24%	0.243	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-92.6	5.1	174	-66.9	-93.1	0	0	0	112.8	T180 R181 T195 I198 Y199 F203	T180-Y183 WeakPolarHBondContact O-CA 3.4Å; T180-Y183 WeakPolarHBondContact O-CB 3.29Å; T180-Y183 PolarHBondContact O-N 2.76Å; R181-Y183 PolarHBondContact O-N 3Å; Y183-T195 WeakPolarHBondContact O-CG2 3Å; Y183-I198 HydrophobicContact CD1-CG2 4.46Å; Y183-I198 HydrophobicContact CE1-CB 4.44Å; Y183-I198 HydrophobicContact CE1-CG2 3.83Å; Y183-Y199 HydrophobicContact CD2-CD2 4.42Å; Y183-Y199 AromaticContact CE2-CD2 3.83Å; Y183-Y199 HydrophobicContact CE2-CD2 3.83Å; Y183-F203 HydrophobicContact CE2-CE2 4.43Å; Y183-F203 WeakPolarHBondContact OH-CE2 3.22Å
184	G	91.3	Very high	94.9	Very high	32 Å²	32	27 Å²	27	33%	0.33	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	3.9	178.2	0	0	0	0	0	115.1	R181	R181-G184 PolarHBondContact O-N 2.96Å
185	N	94.2	Very high	94.6	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.011	14%	0.137	C	C	.	.			trans	-76	154.8	174	-61	-35.5	0	0	0	111.6	Y149 T180 R181 G191 Y192 T195 L196	Y149-N185 HydrophobicContact CE2-CB 3.99Å; T180-N185 WeakPolarHBondContact CB-ND2 3.25Å; T180-N185 PolarHBondContact O-N 2.99Å; T180-N185 PolarHBondContact OG1-ND2 2.99Å; R181-N185 WeakPolarHBondContact CA-O 3.21Å; N185-G191 VanDerWaalsContact OD1-CA 3.23Å; N185-G191 WeakPolarHBondContact OD1-CA 3.35Å; N185-Y192 PolarHBondContact OD1-N 3.47Å; N185-T195 PolarHBondContact ND2-OG1 3.37Å; N185-T195 PolarHBondContact OD1-OG1 3.5Å; N185-L196 WeakPolarHBondContact ND2-CD1 3.31Å
186	M	95.2	Very high	94.4	Very high	89 Å²	89	27 Å²	27	44%	0.438	14%	0.137	S	C	.	.			trans	-113	29	-176.1	-60.8	-65.1	175.1	0	0	111.8	K95 V96 C188 H189 G190	K95-M186 HydrophobicContact CB-CB 4.46Å; K95-M186 HydrophobicContact CB-CG 4.43Å; V96-M186 HydrophobicContact CG1-CE 4.36Å; V96-M186 HydrophobicContact CG1-CG 3.73Å; V96-M186 HydrophobicContact CG2-CG 4.27Å; M186-C188 PolarHBondContact O-N 2.8Å; M186-H189 HydrophobicContact CB-CB 4.08Å; M186-H189 WeakPolarHBondContact O-CB 3.43Å; M186-H189 PolarHBondContact O-N 2.92Å; M186-H189 PolarHBondContact O-ND1 3.19Å; M186-G190 CarbonylContact C-O 3.55Å; M186-G190 WeakPolarHBondContact CA-O 3.39Å; M186-G190 WeakPolarHBondContact CB-O 3.38Å; M186-G190 PolarHBondContact N-O 3.49Å
187	G	95.1	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-121.2	175.6	0	0	0	0	0	112.1	Y149 H189 D217	Y149-G187 WeakPolarHBondContact CE1-O 3.43Å; Y149-G187 WeakPolarHBondContact OH-CA 3.4Å; Y149-G187 PolarHBondContact OH-O 2.95Å; G187-H189 PolarHBondContact O-N 3.13Å; G187-H189 VanDerWaalsContact O-N 3.13Å; G187-D217 WeakPolarHBondContact CA-OD1 3.25Å
188	C	94.9	Very high	94	Very high	12 Å²	12	28.1 Å²	28.1	8%	0.081	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	12.7	176.5	-76.7	0	0	0	0	115.4	C145 I146 M186 G216 D217	C145-C188 HydrophobicContact CB-CB 3.83Å; C145-C188 WeakPolarHBondContact CB-SG 3.47Å; C145-C188 WeakPolarHBondContact SG-CA 3.14Å; C145-C188 WeakPolarHBondContact SG-CB 3.34Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 3.45Å; I146-C188 WeakPolarHBondContact CB-O 3.45Å; I146-C188 PolarHBondContact N-O 2.9Å; I146-C188 CarbonylContact O-C 3.56Å; M186-C188 PolarHBondContact O-N 2.8Å; C188-G216 VanDerWaalsContact SG-CA 3.57Å; C188-D217 PolarHBondContact N-OD1 2.94Å
189	H	93.6	Very high	93.9	Very high	62 Å²	62	28.2 Å²	28.2	29%	0.287	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-121.6	23.2	-179.8	-51.7	86.7	0	0	0	112.6	K95 M186 G187 D217	K95-H189 HydrophobicContact CB-CB 3.99Å; K95-H189 WeakPolarHBondContact CB-O 3.42Å; K95-H189 HydrophobicContact CD-CB 3.56Å; K95-H189 WeakPolarHBondContact CE-CD2 3.4Å; K95-H189 HydrophobicContact CG-CB 3.76Å; K95-H189 PolarHBondContact N-O 3.29Å; K95-H189 PolarHBondContact NZ-CD2 2.97Å; K95-H189 PolarHBondContact NZ-NE2 3Å; K95-H189 VanDerWaalsContact NZ-NE2 3.18Å; M186-H189 HydrophobicContact CB-CB 4.08Å; M186-H189 WeakPolarHBondContact O-CB 3.43Å; M186-H189 PolarHBondContact O-N 2.92Å; M186-H189 PolarHBondContact O-ND1 3.19Å; G187-H189 PolarHBondContact O-N 3.13Å; G187-H189 VanDerWaalsContact O-N 3.13Å; H189-D217 IonicContact CE1-OD2 2.8Å; H189-D217 PolarHBondContact CE1-OD2 2.76Å; H189-D217 VanDerWaalsContact CE1-OD2 3.3Å; H189-D217 IonicContact ND1-OD2 3.25Å; H189-D217 PolarHBondContact ND1-OD2 3.45Å
190	G	92.7	Very high	93.8	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.031	14%	0.139	C	C	.	.			trans	100.4	167.5	-179.6	0	0	0	0	0	114.5	I146 Y149 M186	I146-G190 WeakPolarHBondContact O-CA 3.43Å; I146-G190 PolarHBondContact O-N 3.05Å; Y149-G190 VanDerWaalsContact CE1-C 3.42Å; M186-G190 CarbonylContact C-O 3.55Å; M186-G190 WeakPolarHBondContact CA-O 3.39Å; M186-G190 WeakPolarHBondContact CB-O 3.38Å; M186-G190 PolarHBondContact N-O 3.49Å
191	G	93	Very high	93.6	Very high	6 Å²	6	30 Å²	30	6%	0.062	15%	0.15	C	C	.	.			trans	-168	179.8	-179.5	0	0	0	0	0	111.5	V96 Y149 N185	V96-G191 VanDerWaalsContact CG2-N 3.28Å; Y149-G191 VanDerWaalsContact CD1-N 3.27Å; N185-G191 VanDerWaalsContact OD1-CA 3.23Å; N185-G191 WeakPolarHBondContact OD1-CA 3.35Å
192	Y	92.4	Very high	93.6	Very high	38 Å²	38	30 Å²	30	15%	0.149	16%	0.156	C	C	.	.			trans	-107.8	116	179.7	-56.5	-76.2	0	0	0	110	V96 K97 R99 I101 N185 F194 T195 L196	V96-Y192 HydrophobicContact CG1-CE2 4.4Å; K97-Y192 VanDerWaalsContact O-CE1 3.25Å; K97-Y192 WeakPolarHBondContact O-CE1 3.49Å; R99-Y192 HydrophobicContact CB-CE1 4.15Å; R99-Y192 WeakPolarHBondContact O-CD1 3.5Å; I101-Y192 HydrophobicContact CD1-CE1 4.41Å; N185-Y192 PolarHBondContact OD1-N 3.47Å; Y192-F194 HydrophobicContact CD1-CE1 4.36Å; Y192-F194 AromaticContact CG-CE1 3.98Å; Y192-F194 HydrophobicContact CG-CE1 3.98Å; Y192-F194 PolarHBondContact O-N 2.9Å; Y192-T195 PolarHBondContact O-N 3.24Å; Y192-T195 VanDerWaalsContact O-N 3.09Å; Y192-T195 PolarHBondContact O-OG1 2.97Å; Y192-L196 WeakPolarHBondContact O-CD1 3.34Å
193	T	93.4	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-52.9	-40.6	-177.5	-61.2	0	0	0	0	112.2	E98 V153 T195 L196 F197 V256 S286 F335	E98-T193 PolarHBondContact OE1-N 3.17Å; E98-T193 VanDerWaalsContact OE2-CB 3.3Å; E98-T193 WeakPolarHBondContact OE2-CB 3.25Å; E98-T193 PolarHBondContact OE2-N 3.37Å; E98-T193 PolarHBondContact OE2-OG1 2.04Å; V153-T193 HydrophobicContact CG2-CG2 3.64Å; T193-T195 VanDerWaalsContact C-N 3.3Å; T193-T195 PolarHBondContact O-N 3.06Å; T193-L196 PolarHBondContact O-N 3.31Å; T193-F197 HydrophobicContact CG2-CE2 3.9Å; T193-F197 VanDerWaalsContact O-CD2 3.27Å; T193-F197 WeakPolarHBondContact O-CD2 3.35Å; T193-V256 HydrophobicContact CG2-CB 4.42Å; T193-V256 HydrophobicContact CG2-CG1 3.64Å; T193-V256 HydrophobicContact CG2-CG2 3.81Å; T193-S286 PolarHBondContact OG1-OG 3.44Å; T193-F335 HydrophobicContact CG2-CD2 4.02Å; T193-F335 HydrophobicContact CG2-CE2 4.38Å
194	F	90.6	Very high	94	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.039	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-35.2	-178.5	83.2	-91.9	0	0	0	113.3	R99 I101 Y192 L196 F197 I198 F335	R99-F194 WeakPolarHBondContact O-CE1 3.48Å; I101-F194 HydrophobicContact CB-CE1 4.19Å; I101-F194 HydrophobicContact CB-CZ 4Å; I101-F194 WeakPolarHBondContact O-CE2 3.08Å; I101-F194 WeakPolarHBondContact O-CZ 3.09Å; Y192-F194 HydrophobicContact CD1-CE1 4.36Å; Y192-F194 AromaticContact CG-CE1 3.98Å; Y192-F194 HydrophobicContact CG-CE1 3.98Å; Y192-F194 PolarHBondContact O-N 2.9Å; F194-L196 PolarHBondContact O-N 3.01Å; F194-F197 PolarHBondContact O-N 2.87Å; F194-I198 HydrophobicContact CD2-CD1 4.14Å; F194-I198 HydrophobicContact CE2-CD1 4.18Å; F194-F335 HydrophobicContact CB-CE1 4.09Å; F194-F335 HydrophobicContact CB-CZ 3.95Å
195	T	92.6	Very high	94.4	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-66.4	-28	-176.4	62.7	0	0	0	0	112.3	Y183 N185 Y192 T193 F197 I198 Y199	Y183-T195 WeakPolarHBondContact O-CG2 3Å; N185-T195 PolarHBondContact ND2-OG1 3.37Å; N185-T195 PolarHBondContact OD1-OG1 3.5Å; Y192-T195 PolarHBondContact O-N 3.24Å; Y192-T195 VanDerWaalsContact O-N 3.09Å; Y192-T195 PolarHBondContact O-OG1 2.97Å; T193-T195 VanDerWaalsContact C-N 3.3Å; T193-T195 PolarHBondContact O-N 3.06Å; T195-F197 VanDerWaalsContact C-N 3.31Å; T195-F197 PolarHBondContact O-N 2.86Å; T195-I198 WeakPolarHBondContact O-CB 3.41Å; T195-I198 PolarHBondContact O-N 2.82Å; T195-Y199 PolarHBondContact O-N 2.92Å
196	L	95.9	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-73.2	-28.6	-179.2	-80.3	58	0	0	0	111.2	Y149 A150 V153 F176 T180 N185 Y192 T193 F194 I198 Y199 L200	Y149-L196 HydrophobicContact CD2-CD1 3.58Å; Y149-L196 HydrophobicContact CD2-CD2 3.62Å; Y149-L196 HydrophobicContact CD2-CG 4.26Å; Y149-L196 HydrophobicContact CE2-CD1 3.78Å; Y149-L196 HydrophobicContact CE2-CD2 4.03Å; Y149-L196 HydrophobicContact CE2-CG 4.47Å; A150-L196 HydrophobicContact CB-CD2 4.18Å; V153-L196 HydrophobicContact CB-CB 4.17Å; V153-L196 HydrophobicContact CB-CD2 3.8Å; V153-L196 HydrophobicContact CG1-CB 3.72Å; V153-L196 HydrophobicContact CG1-CD2 4.2Å; V153-L196 HydrophobicContact CG2-CB 4.03Å; V153-L196 HydrophobicContact CG2-CD2 3.83Å; F176-L196 HydrophobicContact CB-CD2 4.01Å; F176-L196 HydrophobicContact CB-CG 4.33Å; F176-L196 HydrophobicContact CD1-CB 4.04Å; F176-L196 HydrophobicContact CD1-CD2 3.94Å; F176-L196 HydrophobicContact CD1-CG 3.6Å; F176-L196 HydrophobicContact CD2-CD2 3.89Å; F176-L196 HydrophobicContact CD2-CG 4.45Å; F176-L196 HydrophobicContact CE1-CB 3.73Å; F176-L196 HydrophobicContact CE1-CD2 4.29Å; F176-L196 HydrophobicContact CE1-CG 3.85Å; F176-L196 HydrophobicContact CE2-CD2 4.25Å; F176-L196 HydrophobicContact CG-CD2 3.72Å; F176-L196 HydrophobicContact CG-CG 3.92Å; F176-L196 HydrophobicContact CZ-CB 4.08Å; F176-L196 HydrophobicContact CZ-CD2 4.43Å; F176-L196 HydrophobicContact CZ-CG 4.38Å; T180-L196 HydrophobicContact CG2-CD1 4.45Å; T180-L196 HydrophobicContact CG2-CG 4.46Å; N185-L196 WeakPolarHBondContact ND2-CD1 3.31Å; Y192-L196 WeakPolarHBondContact O-CD1 3.34Å; T193-L196 PolarHBondContact O-N 3.31Å; F194-L196 PolarHBondContact O-N 3.01Å; L196-I198 VanDerWaalsContact C-N 3.33Å; L196-Y199 PolarHBondContact O-N 2.9Å; L196-L200 WeakPolarHBondContact O-CB 3.23Å; L196-L200 PolarHBondContact O-N 3.46Å
197	F	94.6	Very high	94.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.9	-37.6	171.7	-66.8	-78	0	0	0	111.8	V153 V156 T193 F194 T195 L200 Q201 Y234 V256 F335 P337	V153-F197 HydrophobicContact CG1-CE1 4.34Å; V153-F197 HydrophobicContact CG1-CE2 4.46Å; V153-F197 HydrophobicContact CG1-CZ 4.18Å; V153-F197 HydrophobicContact CG2-CE2 3.97Å; V153-F197 HydrophobicContact CG2-CZ 4.15Å; V156-F197 HydrophobicContact CG1-CE1 4.48Å; V156-F197 HydrophobicContact CG1-CZ 4.33Å; T193-F197 HydrophobicContact CG2-CE2 3.9Å; T193-F197 VanDerWaalsContact O-CD2 3.27Å; T193-F197 WeakPolarHBondContact O-CD2 3.35Å; F194-F197 PolarHBondContact O-N 2.87Å; T195-F197 VanDerWaalsContact C-N 3.31Å; T195-F197 PolarHBondContact O-N 2.86Å; F197-L200 PolarHBondContact O-N 3.14Å; F197-Q201 WeakPolarHBondContact O-CB 3.49Å; F197-Q201 PolarHBondContact O-N 2.96Å; F197-Y234 HydrophobicContact CB-CD1 3.49Å; F197-Y234 VanDerWaalsContact CB-CD1 3.49Å; F197-Y234 HydrophobicContact CB-CD2 4.38Å; F197-Y234 HydrophobicContact CB-CE1 4Å; F197-Y234 HydrophobicContact CB-CG 3.71Å; F197-Y234 HydrophobicContact CD1-CG 4.27Å; F197-Y234 HydrophobicContact CG-CD1 4.3Å; F197-Y234 HydrophobicContact CG-CD2 4.48Å; F197-Y234 HydrophobicContact CG-CG 4.01Å; F197-V256 HydrophobicContact CE2-CG1 3.85Å; F197-V256 HydrophobicContact CZ-CG1 3.54Å; F197-F335 HydrophobicContact CD2-CB 4.07Å; F197-F335 HydrophobicContact CD2-CD1 4.4Å; F197-F335 HydrophobicContact CD2-CG 4.26Å; F197-F335 HydrophobicContact CE1-CB 4.19Å; F197-F335 HydrophobicContact CE2-CB 3.31Å; F197-F335 HydrophobicContact CE2-CD1 4.35Å; F197-F335 HydrophobicContact CE2-CD2 4.25Å; F197-F335 AromaticContact CE2-CG 3.76Å; F197-F335 HydrophobicContact CE2-CG 3.76Å; F197-F335 HydrophobicContact CZ-CB 3.39Å; F197-F335 HydrophobicContact CZ-CG 4.34Å; F197-P337 HydrophobicContact CD1-CB 4.02Å; F197-P337 HydrophobicContact CE1-CB 3.95Å; F197-P337 HydrophobicContact CE1-CG 4.23Å
198	I	92.5	Very high	94.9	Very high	23 Å²	23	22 Å²	22	12%	0.118	11%	0.108	C	C	.	.	H	α-helix	trans	-65.1	-45.4	173.6	-57	173.4	0	0	0	109.8	Y183 F194 T195 L196 Q201 N202	Y183-I198 HydrophobicContact CD1-CG2 4.46Å; Y183-I198 HydrophobicContact CE1-CB 4.44Å; Y183-I198 HydrophobicContact CE1-CG2 3.83Å; F194-I198 HydrophobicContact CD2-CD1 4.14Å; F194-I198 HydrophobicContact CE2-CD1 4.18Å; T195-I198 WeakPolarHBondContact O-CB 3.41Å; T195-I198 PolarHBondContact O-N 2.82Å; L196-I198 VanDerWaalsContact C-N 3.33Å; I198-Q201 PolarHBondContact O-N 3.22Å; I198-N202 PolarHBondContact O-N 2.65Å; I198-N202 VanDerWaalsContact O-N 3.13Å; I198-N202 PolarHBondContact O-ND2 2.82Å
199	Y	95.3	Very high	95	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-49.1	175	179	-87.5	0	0	0	111.8	Q175 F176 C179 T180 Y183 T195 L196 Q201 N202 F203 G204 L205	Q175-Y199 HydrophobicContact CG-CE1 4.27Å; Q175-Y199 WeakPolarHBondContact CG-OH 3.43Å; Q175-Y199 PolarHBondContact NE2-OH 3.32Å; F176-Y199 AromaticContact CD1-CD1 3.8Å; F176-Y199 HydrophobicContact CD1-CD1 3.8Å; F176-Y199 HydrophobicContact CD1-CE1 4.28Å; F176-Y199 HydrophobicContact CD1-CG 4.45Å; F176-Y199 AromaticContact CE1-CD1 3.6Å; F176-Y199 HydrophobicContact CE1-CD1 3.6Å; F176-Y199 HydrophobicContact CE1-CE1 4.3Å; F176-Y199 HydrophobicContact CE1-CG 4.37Å; C179-Y199 HydrophobicContact CB-CE2 3.69Å; C179-Y199 WeakPolarHBondContact CB-OH 3.39Å; T180-Y199 HydrophobicContact CG2-CD1 4.29Å; T180-Y199 HydrophobicContact CG2-CD2 3.74Å; T180-Y199 HydrophobicContact CG2-CE2 4.35Å; T180-Y199 HydrophobicContact CG2-CG 3.7Å; Y183-Y199 HydrophobicContact CD2-CD2 4.42Å; Y183-Y199 AromaticContact CE2-CD2 3.83Å; Y183-Y199 HydrophobicContact CE2-CD2 3.83Å; T195-Y199 PolarHBondContact O-N 2.92Å; L196-Y199 PolarHBondContact O-N 2.9Å; Y199-Q201 PolarHBondContact O-N 2.82Å; Y199-N202 PolarHBondContact O-N 2.96Å; Y199-F203 HydrophobicContact CD1-CB 4.49Å; Y199-F203 HydrophobicContact CD2-CB 4.5Å; Y199-F203 AromaticContact CD2-CD2 3.52Å; Y199-F203 HydrophobicContact CD2-CD2 3.52Å; Y199-F203 HydrophobicContact CD2-CE2 4.17Å; Y199-F203 HydrophobicContact CD2-CG 4.36Å; Y199-F203 HydrophobicContact CE1-CB 4.04Å; Y199-F203 HydrophobicContact CE2-CB 4.03Å; Y199-F203 AromaticContact CE2-CD2 3.5Å; Y199-F203 HydrophobicContact CE2-CD2 3.5Å; Y199-F203 HydrophobicContact CE2-CE2 4.22Å; Y199-F203 AromaticContact CE2-CG 3.96Å; Y199-F203 HydrophobicContact CE2-CG 3.96Å; Y199-F203 HydrophobicContact CG-CD2 4.19Å; Y199-F203 PolarHBondContact O-N 3.27Å; Y199-G204 WeakPolarHBondContact CE1-O 3.28Å; Y199-L205 HydrophobicContact CE1-CD2 4.41Å
200	L	96.3	Very high	95.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-30.1	-179.6	-176.5	67.7	0	0	0	111.9	T157 F176 L196 F197 G204 L205 Q230 S231 P337	T157-L200 HydrophobicContact CG2-CD1 4.29Å; T157-L200 HydrophobicContact CG2-CD2 4.07Å; F176-L200 HydrophobicContact CZ-CB 4.44Å; L196-L200 WeakPolarHBondContact O-CB 3.23Å; L196-L200 PolarHBondContact O-N 3.46Å; F197-L200 PolarHBondContact O-N 3.14Å; L200-G204 WeakPolarHBondContact O-CA 3.41Å; L200-G204 PolarHBondContact O-N 2.92Å; L200-L205 HydrophobicContact CD1-CB 4.27Å; L200-L205 HydrophobicContact CD1-CD1 3.78Å; L200-L205 HydrophobicContact CD1-CG 3.62Å; L200-Q230 VanDerWaalsContact O-CG 3.29Å; L200-Q230 WeakPolarHBondContact O-CG 3.27Å; L200-S231 PolarHBondContact O-N 2.74Å; L200-P337 HydrophobicContact CD2-CB 3.69Å; L200-P337 HydrophobicContact CD2-CG 4.3Å
201	Q	93.6	Very high	95.5	Very high	47 Å²	47	30.8 Å²	30.8	22%	0.22	15%	0.149	C	C	.	.	H	α-helix	trans	-72.2	-39.8	173.2	-176.9	175.9	-8.2	0	0	112.3	F197 I198 Y199 Q230 S231	F197-Q201 WeakPolarHBondContact O-CB 3.49Å; F197-Q201 PolarHBondContact O-N 2.96Å; I198-Q201 PolarHBondContact O-N 3.22Å; Y199-Q201 PolarHBondContact O-N 2.82Å; Q201-Q230 PolarHBondContact O-NE2 3.31Å; Q201-S231 WeakPolarHBondContact CA-O 3.15Å
202	N	93.8	Very high	95.7	Very high	88 Å²	88	33.9 Å²	33.9	47%	0.471	17%	0.168	S	C	.	.	H	α-helix	trans	-82.2	-41.2	-175.5	-68.7	-40.2	0	0	0	113.5	I198 Y199 Q230	I198-N202 PolarHBondContact O-N 2.65Å; I198-N202 VanDerWaalsContact O-N 3.13Å; I198-N202 PolarHBondContact O-ND2 2.82Å; Y199-N202 PolarHBondContact O-N 2.96Å; N202-Q230 PolarHBondContact O-NE2 3.28Å
203	F	96.1	Very high	96	Very high	105 Å²	105	34.6 Å²	34.6	46%	0.461	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-26	-168.6	-61.4	-74.5	0	0	0	113.8	Y183 Y199 V227	Y183-F203 HydrophobicContact CE2-CE2 4.43Å; Y183-F203 WeakPolarHBondContact OH-CE2 3.22Å; Y199-F203 HydrophobicContact CD1-CB 4.49Å; Y199-F203 HydrophobicContact CD2-CB 4.5Å; Y199-F203 AromaticContact CD2-CD2 3.52Å; Y199-F203 HydrophobicContact CD2-CD2 3.52Å; Y199-F203 HydrophobicContact CD2-CE2 4.17Å; Y199-F203 HydrophobicContact CD2-CG 4.36Å; Y199-F203 HydrophobicContact CE1-CB 4.04Å; Y199-F203 HydrophobicContact CE2-CB 4.03Å; Y199-F203 AromaticContact CE2-CD2 3.5Å; Y199-F203 HydrophobicContact CE2-CD2 3.5Å; Y199-F203 HydrophobicContact CE2-CE2 4.22Å; Y199-F203 AromaticContact CE2-CG 3.96Å; Y199-F203 HydrophobicContact CE2-CG 3.96Å; Y199-F203 HydrophobicContact CG-CD2 4.19Å; Y199-F203 PolarHBondContact O-N 3.27Å; F203-V227 VanDerWaalsContact O-CG2 3.31Å; F203-V227 WeakPolarHBondContact O-CG2 3.3Å
204	G	97.3	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.			trans	73.3	-171.5	-172	0	0	0	0	0	113.2	Q175 Y199 L200 V229	Q175-G204 PolarHBondContact NE2-O 3.19Å; Q175-G204 VanDerWaalsContact NE2-O 3.13Å; Y199-G204 WeakPolarHBondContact CE1-O 3.28Å; L200-G204 WeakPolarHBondContact O-CA 3.41Å; L200-G204 PolarHBondContact O-N 2.92Å; G204-V229 CarbonylContact C-O 3.37Å; G204-V229 WeakPolarHBondContact CA-O 2.92Å
205	L	98.4	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.5	178.4	-73	173.3	0	0	0	112.3	T157 F171 Q175 F176 Y199 L200 V228 V229	T157-L205 HydrophobicContact CG2-CD1 4.2Å; F171-L205 HydrophobicContact CB-CB 4.39Å; F171-L205 HydrophobicContact CB-CD1 4.08Å; F171-L205 HydrophobicContact CD1-CB 4.46Å; Q175-L205 HydrophobicContact CB-CD2 4.28Å; Q175-L205 HydrophobicContact CG-CD2 4.23Å; F176-L205 HydrophobicContact CD1-CD2 4.14Å; F176-L205 HydrophobicContact CD2-CD1 4.42Å; F176-L205 HydrophobicContact CD2-CD2 4.11Å; F176-L205 HydrophobicContact CE1-CD2 3.9Å; F176-L205 HydrophobicContact CE1-CG 4.42Å; F176-L205 HydrophobicContact CE2-CD1 3.53Å; F176-L205 HydrophobicContact CE2-CD2 3.86Å; F176-L205 HydrophobicContact CE2-CG 4.19Å; F176-L205 HydrophobicContact CG-CD2 4.26Å; F176-L205 HydrophobicContact CZ-CD1 3.61Å; F176-L205 HydrophobicContact CZ-CD2 3.75Å; F176-L205 HydrophobicContact CZ-CG 3.94Å; Y199-L205 HydrophobicContact CE1-CD2 4.41Å; L200-L205 HydrophobicContact CD1-CB 4.27Å; L200-L205 HydrophobicContact CD1-CD1 3.78Å; L200-L205 HydrophobicContact CD1-CG 3.62Å; L205-V228 PolarHBondContact O-N 3.49Å; L205-V229 HydrophobicContact CB-CG1 3.81Å; L205-V229 PolarHBondContact N-O 3.13Å; L205-V229 PolarHBondContact O-N 3.5Å
206	E	98.5	Very high	96.3	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	167.3	165.1	-59.4	-179.1	-125.5	0	0	110.9	F171 S172 N210 A222 N223 D226	F171-E206 WeakPolarHBondContact CA-O 3.45Å; F171-E206 WeakPolarHBondContact CD1-O 3.45Å; S172-E206 PolarHBondContact N-O 3.36Å; E206-N210 HydrophobicContact CB-CB 4.35Å; E206-A222 WeakPolarHBondContact OE1-CA 3.47Å; E206-N223 PolarHBondContact OE1-N 3.2Å; E206-D226 HydrophobicContact CG-CB 3.84Å; E206-D226 VanDerWaalsContact OE2-CB 3.28Å; E206-D226 WeakPolarHBondContact OE2-CB 3.25Å
207	T	98.3	Very high	96.4	Very high	15 Å²	15	42.8 Å²	42.8	9%	0.092	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-75.7	159	173.4	70.8	0	0	0	0	111.6	K169 K170 E209 N210 Y211 V228	K169-T207 HydrophobicContact CD-CG2 3.86Å; K169-T207 HydrophobicContact CG-CG2 4.35Å; K170-T207 WeakPolarHBondContact O-CA 3.32Å; T207-E209 PolarHBondContact O-N 3.22Å; T207-E209 PolarHBondContact OG1-N 3.3Å; T207-N210 PolarHBondContact O-N 2.86Å; T207-N210 PolarHBondContact OG1-N 3.17Å; T207-Y211 PolarHBondContact O-N 2.75Å; T207-V228 HydrophobicContact CG2-CB 4.26Å; T207-V228 HydrophobicContact CG2-CG2 3.67Å
208	E	98.2	Very high	96.5	Very high	38 Å²	38	47.3 Å²	47.3	18%	0.178	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.6	170.8	-174.3	67.5	-156.4	0	0	112.3	R140 K170 F171 Y211 P212 F213	R140-E208 IonicContact CZ-OE2 2.64Å; R140-E208 IonicContact NH1-OE2 2.64Å; R140-E208 PolarHBondContact NH1-OE2 3.17Å; R140-E208 IonicContact NH2-OE2 3.47Å; K170-E208 HydrophobicContact CB-CB 3.78Å; K170-E208 PolarHBondContact O-N 3.04Å; F171-E208 VanDerWaalsContact O-OE2 3.08Å; E208-Y211 CarbonylContact O-C 3.51Å; E208-P212 VanDerWaalsContact O-CA 3.23Å; E208-P212 WeakPolarHBondContact O-CA 3.3Å; E208-F213 VanDerWaalsContact OE1-CB 3.3Å; E208-F213 WeakPolarHBondContact OE1-CB 3.25Å; E208-F213 PolarHBondContact OE1-N 3.27Å
209	E	97.8	Very high	96.7	Very high	172 Å²	172	52.5 Å²	52.5	80%	0.804	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-39.4	177.7	-175.2	176.9	179.1	0	0	112.1	T207	T207-E209 PolarHBondContact O-N 3.22Å; T207-E209 PolarHBondContact OG1-N 3.3Å
210	N	97.9	Very high	96.9	Very high	77 Å²	77	55.3 Å²	55.3	41%	0.412	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-33	-179.7	-69.7	-4.3	0	0	0	112.4	E206 T207 D226	E206-N210 HydrophobicContact CB-CB 4.35Å; T207-N210 PolarHBondContact O-N 2.86Å; T207-N210 PolarHBondContact OG1-N 3.17Å; N210-D226 HydrophobicContact CB-CB 4.45Å
211	Y	98.5	Very high	96.9	Very high	12 Å²	12	60.2 Å²	60.2	5%	0.047	33%	0.329	C	S	.	.	S	Bend	trans	-134.5	81.7	179	-161	-22.5	0	0	0	110.5	S172 Q174 Q175 D178 T207 E208 D219 V221 A222	S172-Y211 VanDerWaalsContact CB-O 3.25Å; S172-Y211 WeakPolarHBondContact CB-O 3.5Å; S172-Y211 WeakPolarHBondContact OG-CB 3.24Å; S172-Y211 PolarHBondContact OG-O 2.88Å; Q174-Y211 HydrophobicContact CB-CD1 3.78Å; Q174-Y211 HydrophobicContact CB-CE1 3.82Å; Q174-Y211 HydrophobicContact CG-CD1 3.8Å; Q174-Y211 HydrophobicContact CG-CE1 3.39Å; Q175-Y211 HydrophobicContact CB-CD2 3.73Å; Q175-Y211 HydrophobicContact CB-CE2 3.95Å; Q175-Y211 HydrophobicContact CB-CG 4.28Å; Q175-Y211 HydrophobicContact CG-CD2 4.11Å; Q175-Y211 HydrophobicContact CG-CE2 4.17Å; D178-Y211 VanDerWaalsContact CB-OH 3.31Å; D178-Y211 WeakPolarHBondContact CB-OH 3.33Å; D178-Y211 PolarHBondContact OD2-OH 3.05Å; T207-Y211 PolarHBondContact O-N 2.75Å; E208-Y211 CarbonylContact O-C 3.51Å; Y211-D219 PolarHBondContact OH-O 2.83Å; Y211-V221 HydrophobicContact CE1-CG2 4.15Å; Y211-V221 HydrophobicContact CE2-CG2 3.97Å; Y211-V221 PolarHBondContact OH-N 3.43Å; Y211-A222 HydrophobicContact CE2-CB 4.25Å
212	P	97.8	Very high	97.1	Very high	70 Å²	70	59.9 Å²	59.9	46%	0.455	33%	0.334	S	S	.	.			trans	-70.5	150	-172.9	-19.6	33	0	0	0	114.4	Q174 E208	Q174-P212 WeakPolarHBondContact CB-O 3.36Å; E208-P212 VanDerWaalsContact O-CA 3.23Å; E208-P212 WeakPolarHBondContact O-CA 3.3Å
213	F	97.8	Very high	97.3	Very high	54 Å²	54	58.8 Å²	58.8	24%	0.237	33%	0.328	C	S	.	.			trans	-67.8	130.9	171	-176.4	-115.8	0	0	0	112.7	C145 F151 V173 I177 E208 G215	C145-F213 HydrophobicContact CB-CE2 4.41Å; C145-F213 HydrophobicContact CB-CZ 3.98Å; F151-F213 AromaticContact CE2-CE2 3.91Å; F151-F213 HydrophobicContact CE2-CE2 3.91Å; F151-F213 AromaticContact CE2-CZ 3.87Å; F151-F213 HydrophobicContact CE2-CZ 3.87Å; F151-F213 HydrophobicContact CZ-CD1 4.25Å; F151-F213 HydrophobicContact CZ-CD2 4.17Å; F151-F213 AromaticContact CZ-CE1 3.86Å; F151-F213 HydrophobicContact CZ-CE1 3.86Å; F151-F213 AromaticContact CZ-CE2 3.77Å; F151-F213 HydrophobicContact CZ-CE2 3.77Å; F151-F213 HydrophobicContact CZ-CG 4.39Å; F151-F213 AromaticContact CZ-CZ 3.58Å; F151-F213 HydrophobicContact CZ-CZ 3.58Å; V173-F213 HydrophobicContact CG1-CD2 4.48Å; I177-F213 HydrophobicContact CD1-CD2 4.13Å; I177-F213 HydrophobicContact CD1-CE2 3.64Å; E208-F213 VanDerWaalsContact OE1-CB 3.3Å; E208-F213 WeakPolarHBondContact OE1-CB 3.25Å; E208-F213 PolarHBondContact OE1-N 3.27Å; F213-G215 VanDerWaalsContact CZ-CA 3.44Å
214	T	96.5	Very high	97.3	Very high	72 Å²	72	58.7 Å²	58.7	44%	0.442	34%	0.341	S	S	.	.			trans	-113.6	-8.5	-177.2	68.8	0	0	0	0	113.6	Q174 G216 Q218	Q174-T214 PolarHBondContact OE1-OG1 3.44Å; Q174-T214 VanDerWaalsContact OE1-OG1 3.04Å; T214-G216 VanDerWaalsContact C-N 3.28Å; T214-G216 PolarHBondContact O-N 2.82Å; T214-G216 PolarHBondContact OG1-O 2.04Å; T214-Q218 PolarHBondContact OG1-NE2 2.8Å
215	G	93	Very high	97.3	Very high	25 Å²	25	63.5 Å²	63.5	26%	0.258	38%	0.375	S	S	.	.	S	Bend	trans	76.8	10.6	-179.4	0	0	0	0	0	114.8	F213	F213-G215 VanDerWaalsContact CZ-CA 3.44Å
216	G	95.2	Very high	97.2	Very high	24 Å²	24	66.3 Å²	66.3	25%	0.247	39%	0.389	C	S	.	.	S	Bend	trans	-152.9	169.8	-177.6	0	0	0	0	0	113.2	Q174 C188 T214	Q174-G216 PolarHBondContact NE2-O 2.66Å; C188-G216 VanDerWaalsContact SG-CA 3.57Å; T214-G216 VanDerWaalsContact C-N 3.28Å; T214-G216 PolarHBondContact O-N 2.82Å; T214-G216 PolarHBondContact OG1-O 2.04Å
217	D	96.3	Very high	97.2	Very high	64 Å²	64	68.1 Å²	68.1	34%	0.342	40%	0.401	S	S	.	.			trans	-73.2	125.2	176	-81	-41.8	0	0	0	111.2	R181 G187 C188 H189	R181-D217 IonicContact CZ-OD1 2.77Å; R181-D217 IonicContact NE-OD1 2.82Å; R181-D217 VanDerWaalsContact NH2-CA 3.33Å; R181-D217 VanDerWaalsContact NH2-CG 3.3Å; R181-D217 IonicContact NH2-OD1 3.23Å; R181-D217 PolarHBondContact NH2-OD1 3.17Å; G187-D217 WeakPolarHBondContact CA-OD1 3.25Å; C188-D217 PolarHBondContact N-OD1 2.94Å; H189-D217 IonicContact CE1-OD2 2.8Å; H189-D217 PolarHBondContact CE1-OD2 2.76Å; H189-D217 VanDerWaalsContact CE1-OD2 3.3Å; H189-D217 IonicContact ND1-OD2 3.25Å; H189-D217 PolarHBondContact ND1-OD2 3.45Å
218	Q	97.1	Very high	97.1	Very high	95 Å²	95	69.7 Å²	69.7	44%	0.444	41%	0.41	S	S	.	.			trans	-125.7	-177.4	171.3	-55	-156.5	-1.6	0	0	111.8	D178 R181 T214	D178-Q218 WeakPolarHBondContact OD1-CA 3.45Å; D178-Q218 PolarHBondContact OD1-N 2.94Å; R181-Q218 VanDerWaalsContact CZ-O 3.29Å; R181-Q218 PolarHBondContact NH1-O 3.47Å; R181-Q218 PolarHBondContact NH2-O 2.72Å; T214-Q218 PolarHBondContact OG1-NE2 2.8Å
219	D	97.8	Very high	97.1	Very high	131 Å²	131	68 Å²	68	70%	0.701	40%	0.402	S	S	*	.			trans	-79.6	144.1	169.7	-70.3	-34.7	0	0	0	110.3	Y211 V221	Y211-D219 PolarHBondContact OH-O 2.83Å; D219-V221 PolarHBondContact O-N 3.46Å
220	C	98.1	Very high	97	Very high	67 Å²	67	61.8 Å²	61.8	45%	0.453	37%	0.373	S	S	.	.			trans	-68.3	115.7	176.6	176.4	0	0	0	0	110.5	D178 C179	D178-C220 HydrophobicContact CB-CB 4.36Å; C179-C220 VanDerWaalsContact CA-SG 3.56Å; C179-C220 HydrophobicContact CB-CB 3.88Å; C179-C220 WeakPolarHBondContact CB-SG 3.43Å; C179-C220 WeakPolarHBondContact SG-CB 3.22Å; C179-C220 CovalentContact SG-SG 2.04Å; C179-C220 PolarHBondContact SG-SG 3.28Å
221	V	97.7	Very high	96.9	Very high	104 Å²	104	58.1 Å²	58.1	63%	0.63	35%	0.354	S	S	*	.			trans	-117.3	23.3	178.2	-65.1	0	0	0	0	112.7	Y211 D219 N223	Y211-V221 HydrophobicContact CE1-CG2 4.15Å; Y211-V221 HydrophobicContact CE2-CG2 3.97Å; Y211-V221 PolarHBondContact OH-N 3.43Å; D219-V221 PolarHBondContact O-N 3.46Å; V221-N223 PolarHBondContact O-N 3.24Å
222	A	97.8	Very high	96.7	Very high	39 Å²	39	61.8 Å²	61.8	32%	0.322	37%	0.373	S	S	.	.			trans	-59.9	136.3	-176.2	0	0	0	0	0	112.5	Q175 E206 Y211	Q175-A222 HydrophobicContact CG-CB 4.1Å; E206-A222 WeakPolarHBondContact OE1-CA 3.47Å; Y211-A222 HydrophobicContact CE2-CB 4.25Å
223	N	97.5	Very high	96.5	Very high	65 Å²	65	58.6 Å²	58.6	35%	0.348	35%	0.354	S	S	.	.			trans	-114.1	119.2	-179.6	-177.1	1.2	0	0	0	110.9	E206 V221 S225 D226	E206-N223 PolarHBondContact OE1-N 3.2Å; V221-N223 PolarHBondContact O-N 3.24Å; N223-S225 PolarHBondContact O-N 3.01Å; N223-S225 VanDerWaalsContact O-N 3.11Å; N223-S225 WeakPolarHBondContact OD1-CB 3.33Å; N223-S225 PolarHBondContact OD1-N 3.3Å; N223-S225 PolarHBondContact OD1-OG 2.98Å; N223-D226 HydrophobicContact CB-CB 4.3Å; N223-D226 WeakPolarHBondContact CB-OD2 3.47Å; N223-D226 PolarHBondContact ND2-OD2 3.15Å; N223-D226 PolarHBondContact O-N 2.81Å
224	S	96.1	Very high	96.2	Very high	104 Å²	104	56.3 Å²	56.3	73%	0.727	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23.3	179.1	58.1	0	0	0	0	113.8	D226	S224-D226 VanDerWaalsContact C-N 3.29Å
225	S	97	Very high	96	Very high	101 Å²	101	54.1 Å²	54.1	71%	0.706	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-74	-19.9	176.7	-51.5	0	0	0	0	113.3	N223	N223-S225 PolarHBondContact O-N 3.01Å; N223-S225 VanDerWaalsContact O-N 3.11Å; N223-S225 WeakPolarHBondContact OD1-CB 3.33Å; N223-S225 PolarHBondContact OD1-N 3.3Å; N223-S225 PolarHBondContact OD1-OG 2.98Å
226	D	96.9	Very high	95.9	Very high	58 Å²	58	53 Å²	53	31%	0.31	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-99	0.5	-176.3	-71.1	-47.2	0	0	0	112.9	E206 N210 N223 S224 V228	E206-D226 HydrophobicContact CG-CB 3.84Å; E206-D226 VanDerWaalsContact OE2-CB 3.28Å; E206-D226 WeakPolarHBondContact OE2-CB 3.25Å; N210-D226 HydrophobicContact CB-CB 4.45Å; N223-D226 HydrophobicContact CB-CB 4.3Å; N223-D226 WeakPolarHBondContact CB-OD2 3.47Å; N223-D226 PolarHBondContact ND2-OD2 3.15Å; N223-D226 PolarHBondContact O-N 2.81Å; S224-D226 VanDerWaalsContact C-N 3.29Å; D226-V228 PolarHBondContact O-N 2.91Å
227	V	97.3	Very high	95.5	Very high	43 Å²	43	52.3 Å²	52.3	26%	0.261	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	127.2	179.4	172.2	0	0	0	0	110.6	F203	F203-V227 VanDerWaalsContact O-CG2 3.31Å; F203-V227 WeakPolarHBondContact O-CG2 3.3Å
228	V	97.3	Very high	94.7	Very high	48 Å²	48	53.4 Å²	53.4	29%	0.291	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-28.7	-179	174.7	0	0	0	0	112.4	Y161 K169 F171 L205 T207 D226	Y161-V228 HydrophobicContact CE2-CG1 4.3Å; K169-V228 HydrophobicContact CD-CG1 3.9Å; F171-V228 HydrophobicContact CE1-CB 3.98Å; F171-V228 HydrophobicContact CE1-CG1 3.89Å; F171-V228 HydrophobicContact CZ-CG1 4.4Å; L205-V228 PolarHBondContact O-N 3.49Å; T207-V228 HydrophobicContact CG2-CB 4.26Å; T207-V228 HydrophobicContact CG2-CG2 3.67Å; D226-V228 PolarHBondContact O-N 2.91Å
229	V	97.6	Very high	94	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.8	-179	65.4	0	0	0	0	110.8	T157 Y161 F171 G204 L205 L339 F342	T157-V229 HydrophobicContact CG2-CG1 3.89Å; T157-V229 HydrophobicContact CG2-CG2 4.13Å; Y161-V229 HydrophobicContact CD2-CB 4.26Å; Y161-V229 HydrophobicContact CD2-CG2 4.17Å; F171-V229 HydrophobicContact CD1-CG1 3.72Å; F171-V229 HydrophobicContact CD2-CG1 3.98Å; F171-V229 HydrophobicContact CE1-CB 3.95Å; F171-V229 HydrophobicContact CE1-CG1 3.46Å; F171-V229 VanDerWaalsContact CE1-CG1 3.46Å; F171-V229 HydrophobicContact CE2-CB 4.23Å; F171-V229 HydrophobicContact CE2-CG1 3.74Å; F171-V229 HydrophobicContact CG-CG1 3.99Å; F171-V229 HydrophobicContact CZ-CB 3.71Å; F171-V229 HydrophobicContact CZ-CG1 3.48Å; F171-V229 VanDerWaalsContact CZ-CG1 3.48Å; F171-V229 HydrophobicContact CZ-CG2 4.49Å; G204-V229 CarbonylContact C-O 3.37Å; G204-V229 WeakPolarHBondContact CA-O 2.92Å; L205-V229 HydrophobicContact CB-CG1 3.81Å; L205-V229 PolarHBondContact N-O 3.13Å; L205-V229 PolarHBondContact O-N 3.5Å; V229-L339 HydrophobicContact CG2-CD1 3.83Å; V229-L339 HydrophobicContact CG2-CD2 3.73Å; V229-L339 HydrophobicContact CG2-CG 4.26Å; V229-F342 HydrophobicContact CG2-CZ 4.22Å
230	Q	96.6	Very high	93.6	Very high	42 Å²	42	48.4 Å²	48.4	20%	0.196	28%	0.282	C	S	.	.			trans	-137.9	147.2	175.3	-167.4	175.5	16.6	0	0	109.7	L200 Q201 N202 R340	L200-Q230 VanDerWaalsContact O-CG 3.29Å; L200-Q230 WeakPolarHBondContact O-CG 3.27Å; Q201-Q230 PolarHBondContact O-NE2 3.31Å; N202-Q230 PolarHBondContact O-NE2 3.28Å; Q230-R340 PolarHBondContact O-N 3.46Å
231	S	95.2	Very high	93.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	151.6	175.1	-174	0	0	0	0	111.8	L200 Q201 G233 I338	L200-S231 PolarHBondContact O-N 2.74Å; Q201-S231 WeakPolarHBondContact CA-O 3.15Å; S231-G233 PolarHBondContact OG-N 3.48Å; S231-G233 VanDerWaalsContact OG-N 3.09Å; S231-G233 PolarHBondContact OG-O 3.1Å; S231-I338 CarbonylContact C-O 3.59Å; S231-I338 WeakPolarHBondContact CA-O 3.37Å; S231-I338 PolarHBondContact OG-O 3.36Å; S231-I338 VanDerWaalsContact OG-O 3.08Å
232	I	94	Very high	93.1	Very high	88 Å²	88	46.6 Å²	46.6	45%	0.451	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-2.7	166.6	59.6	166.8	0	0	0	112.5	I338 R340	I232-I338 HydrophobicContact CD1-CG2 3.93Å; I232-I338 HydrophobicContact CG1-CB 4.18Å; I232-I338 HydrophobicContact CG1-CG2 3.73Å; I232-I338 VanDerWaalsContact CG1-O 3.27Å; I232-I338 WeakPolarHBondContact CG1-O 3.45Å; I232-I338 PolarHBondContact N-O 3.44Å; I232-R340 HydrophobicContact CG2-CB 3.82Å; I232-R340 HydrophobicContact CG2-CG 4.03Å
233	G	92.9	Very high	92.9	Very high	4 Å²	4	48.4 Å²	48.4	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-173	179.5	0	0	0	0	0	111.1	S110 S231 I338	S110-G233 CarbonylContact O-C 3.54Å; S110-G233 WeakPolarHBondContact O-CA 3.11Å; S231-G233 PolarHBondContact OG-N 3.48Å; S231-G233 VanDerWaalsContact OG-N 3.09Å; S231-G233 PolarHBondContact OG-O 3.1Å; G233-I338 PolarHBondContact O-N 3.08Å
234	Y	93.1	Very high	92.6	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.4	177.7	54.7	-83.3	0	0	0	111.4	S110 F111 I112 F197 F236 F335 R336	S110-Y234 WeakPolarHBondContact O-CD1 3.26Å; S110-Y234 WeakPolarHBondContact O-CE1 3.35Å; S110-Y234 PolarHBondContact O-N 3.04Å; F111-Y234 CarbonylContact C-O 3.51Å; F111-Y234 WeakPolarHBondContact CA-O 3.34Å; F111-Y234 HydrophobicContact CB-CD1 4.37Å; F111-Y234 HydrophobicContact CB-CD2 3.75Å; F111-Y234 HydrophobicContact CB-CE1 4.03Å; F111-Y234 HydrophobicContact CB-CE2 3.36Å; F111-Y234 HydrophobicContact CB-CG 4.25Å; F111-Y234 HydrophobicContact CG-CE2 4.18Å; I112-Y234 PolarHBondContact N-O 2.92Å; F197-Y234 HydrophobicContact CB-CD1 3.49Å; F197-Y234 VanDerWaalsContact CB-CD1 3.49Å; F197-Y234 HydrophobicContact CB-CD2 4.38Å; F197-Y234 HydrophobicContact CB-CE1 4Å; F197-Y234 HydrophobicContact CB-CG 3.71Å; F197-Y234 HydrophobicContact CD1-CG 4.27Å; F197-Y234 HydrophobicContact CG-CD1 4.3Å; F197-Y234 HydrophobicContact CG-CD2 4.48Å; F197-Y234 HydrophobicContact CG-CG 4.01Å; Y234-F236 HydrophobicContact CD2-CB 4.31Å; Y234-F236 HydrophobicContact CE2-CB 4.4Å; Y234-F335 AromaticContact CD2-CD1 3.94Å; Y234-F335 HydrophobicContact CD2-CD1 3.94Å; Y234-F335 HydrophobicContact CE2-CD1 4.14Å; Y234-F335 HydrophobicContact CE2-CE1 4.28Å; Y234-R336 CarbonylContact C-O 3.58Å; Y234-R336 VanDerWaalsContact CA-O 3.25Å; Y234-R336 WeakPolarHBondContact CA-O 3.47Å; Y234-R336 VanDerWaalsContact CB-O 3.27Å; Y234-R336 WeakPolarHBondContact CB-O 3.38Å
235	K	92	Very high	92.6	Very high	26 Å²	26	40.6 Å²	40.6	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.3	167.1	-64.3	-152.9	179.5	-173.1	0	109.2	I112 E114 E252 F335 R336 I338	I112-K235 HydrophobicContact CB-CG 4.49Å; E114-K235 HydrophobicContact CG-CD 4.34Å; E114-K235 WeakPolarHBondContact OE1-CE 3.25Å; E114-K235 IonicContact OE1-NZ 2.71Å; E114-K235 PolarHBondContact OE1-NZ 3.18Å; E114-K235 IonicContact OE2-NZ 3.23Å; K235-E252 WeakPolarHBondContact CD-OE2 3.32Å; K235-E252 IonicContact NZ-OE1 2.79Å; K235-E252 PolarHBondContact NZ-OE1 2.68Å; K235-E252 IonicContact NZ-OE2 2.82Å; K235-E252 PolarHBondContact NZ-OE2 2.83Å; K235-F335 VanDerWaalsContact O-CA 3.3Å; K235-F335 WeakPolarHBondContact O-CA 3.35Å; K235-R336 HydrophobicContact CB-CG 3.96Å; K235-R336 VanDerWaalsContact CD-NH2 3.33Å; K235-R336 HydrophobicContact CG-CG 4.49Å; K235-R336 PolarHBondContact N-O 3.11Å; K235-R336 PolarHBondContact O-N 3.09Å; K235-I338 HydrophobicContact CG-CD1 4.03Å; K235-I338 HydrophobicContact CG-CG1 4.18Å
236	F	90.4	Very high	92.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	118.2	-177.5	175.5	-143.2	0	0	0	110.1	L100 I112 Y234 R238 A334 F335	L100-F236 HydrophobicContact CD1-CE1 4.2Å; L100-F236 HydrophobicContact CD1-CE2 4.01Å; L100-F236 HydrophobicContact CD1-CZ 3.32Å; L100-F236 HydrophobicContact CD2-CE1 3.64Å; L100-F236 HydrophobicContact CD2-CE2 4.18Å; L100-F236 HydrophobicContact CD2-CZ 3.46Å; L100-F236 VanDerWaalsContact CD2-CZ 3.46Å; L100-F236 HydrophobicContact CG-CZ 4Å; I112-F236 PolarHBondContact O-N 3.43Å; Y234-F236 HydrophobicContact CD2-CB 4.31Å; Y234-F236 HydrophobicContact CE2-CB 4.4Å; F236-R238 HydrophobicContact CD2-CB 4.43Å; F236-R238 HydrophobicContact CE1-CB 3.85Å; F236-R238 VanDerWaalsContact CE1-CD 3.41Å; F236-R238 HydrophobicContact CE1-CG 4.14Å; F236-R238 HydrophobicContact CE2-CB 3.64Å; F236-R238 HydrophobicContact CZ-CB 3.28Å; F236-R238 HydrophobicContact CZ-CG 4.04Å; F236-A334 WeakPolarHBondContact CA-O 3.44Å; F236-F335 HydrophobicContact CB-CD1 3.9Å; F236-F335 HydrophobicContact CB-CE1 4.06Å; F236-F335 HydrophobicContact CD1-CE1 4.16Å; F236-F335 AromaticContact CD2-CD1 3.43Å; F236-F335 HydrophobicContact CD2-CD1 3.43Å; F236-F335 VanDerWaalsContact CD2-CD1 3.43Å; F236-F335 HydrophobicContact CD2-CD2 4.48Å; F236-F335 AromaticContact CD2-CE1 3.09Å; F236-F335 HydrophobicContact CD2-CE1 3.09Å; F236-F335 HydrophobicContact CD2-CE2 4.23Å; F236-F335 HydrophobicContact CD2-CG 4.13Å; F236-F335 AromaticContact CD2-CZ 3.55Å; F236-F335 HydrophobicContact CD2-CZ 3.55Å; F236-F335 HydrophobicContact CE1-CE1 4.45Å; F236-F335 HydrophobicContact CE2-CD1 4.22Å; F236-F335 AromaticContact CE2-CE1 3.5Å; F236-F335 HydrophobicContact CE2-CE1 3.5Å; F236-F335 VanDerWaalsContact CE2-CE1 3.5Å; F236-F335 HydrophobicContact CE2-CE2 4.13Å; F236-F335 AromaticContact CE2-CZ 3.44Å; F236-F335 HydrophobicContact CE2-CZ 3.44Å; F236-F335 VanDerWaalsContact CE2-CZ 3.44Å; F236-F335 AromaticContact CG-CD1 3.82Å; F236-F335 HydrophobicContact CG-CD1 3.82Å; F236-F335 AromaticContact CG-CE1 3.5Å; F236-F335 HydrophobicContact CG-CE1 3.5Å; F236-F335 HydrophobicContact CG-CZ 4.32Å; F236-F335 HydrophobicContact CZ-CE1 4.18Å; F236-F335 HydrophobicContact CZ-CZ 4.13Å
237	H	87.7	Confident	92.4	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.046	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.8	170.7	-68.5	-67.6	0	0	0	108.8	E114 I244 A248 Y255 A334	E114-H237 IonicContact OE2-CE1 2.95Å; E114-H237 PolarHBondContact OE2-CE1 3.41Å; E114-H237 IonicContact OE2-NE2 3.78Å; E114-H237 PolarHBondContact OE2-NE2 3.44Å; H237-I244 VanDerWaalsContact CE1-CG2 3.5Å; H237-I244 WeakPolarHBondContact CE1-CG2 3.23Å; H237-I244 VanDerWaalsContact ND1-CG2 3.33Å; H237-I244 WeakPolarHBondContact ND1-CG2 3.25Å; H237-A248 WeakPolarHBondContact NE2-CB 3.29Å; H237-Y255 AromaticContact CD2-CE1 3.37Å; H237-Y255 WeakPolarHBondContact CD2-CE1 3.38Å; H237-Y255 AromaticContact CD2-CZ 3.55Å; H237-Y255 PolarHBondContact CD2-OH 3.24Å; H237-Y255 AromaticContact NE2-CE1 3.99Å; H237-Y255 AromaticContact NE2-CZ 3.71Å; H237-Y255 PolarHBondContact NE2-OH 2.98Å; H237-A334 HydrophobicContact CB-CB 4.18Å; H237-A334 PolarHBondContact N-O 3.02Å; H237-A334 PolarHBondContact O-N 3.1Å
238	R	79	Confident	92.3	Very high	86 Å²	86	34.3 Å²	34.3	33%	0.325	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	173.5	-179.7	85.2	-174.6	-158.5	-146	-17.7	110.2	E113 F236	E113-R238 WeakPolarHBondContact OE1-CD 3.06Å; E113-R238 IonicContact OE1-CZ 2.68Å; E113-R238 IonicContact OE1-NE 3.81Å; E113-R238 PolarHBondContact OE1-NE 2.84Å; E113-R238 IonicContact OE1-NH1 2.83Å; E113-R238 PolarHBondContact OE1-NH1 2.92Å; E113-R238 IonicContact OE1-NH2 3.88Å; E113-R238 PolarHBondContact OE1-NH2 3.12Å; E113-R238 IonicContact OE2-CZ 3.05Å; E113-R238 IonicContact OE2-NE 3.66Å; E113-R238 IonicContact OE2-NH1 3.18Å; E113-R238 PolarHBondContact OE2-NH1 3.49Å; E113-R238 IonicContact OE2-NH2 3.77Å; E113-R238 PolarHBondContact OE2-NH2 2.92Å; F236-R238 HydrophobicContact CD2-CB 4.43Å; F236-R238 HydrophobicContact CE1-CB 3.85Å; F236-R238 VanDerWaalsContact CE1-CD 3.41Å; F236-R238 HydrophobicContact CE1-CG 4.14Å; F236-R238 HydrophobicContact CE2-CB 3.64Å; F236-R238 HydrophobicContact CZ-CB 3.28Å; F236-R238 HydrophobicContact CZ-CG 4.04Å
239	H	81.7	Confident	92.3	Very high	105 Å²	105	32 Å²	32	49%	0.486	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	2.5	178.7	-44.3	-68.2	0	0	0	117.2	E113 Y241	E113-H239 IonicContact OE1-NE2 3.54Å; E113-H239 PolarHBondContact OE1-NE2 3.42Å; H239-Y241 HydrophobicContact CB-CD2 3.9Å; H239-Y241 HydrophobicContact CB-CE2 3.66Å
240	G	89.4	Confident	92.3	Very high	16 Å²	16	34.7 Å²	34.7	17%	0.165	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	13.5	172.1	0	0	0	0	0	115.2	E242 N326 A331	G240-E242 PolarHBondContact O-N 3.33Å; G240-N326 WeakPolarHBondContact CA-ND2 3.47Å; G240-A331 VanDerWaalsContact CA-O 3.23Å; G240-A331 WeakPolarHBondContact CA-O 3.35Å; G240-A331 PolarHBondContact N-O 2.86Å
241	Y	91.4	Very high	92.2	Very high	118 Å²	118	36.3 Å²	36.3	46%	0.463	17%	0.172	S	C	.	.			trans	-75.1	87.2	178.3	-63	-56.4	0	0	0	112	V118 H239 T243 I244 L245	V118-Y241 HydrophobicContact CG1-CD1 4.26Å; V118-Y241 HydrophobicContact CG1-CG 4.45Å; H239-Y241 HydrophobicContact CB-CD2 3.9Å; H239-Y241 HydrophobicContact CB-CE2 3.66Å; Y241-T243 PolarHBondContact O-N 2.9Å; Y241-I244 HydrophobicContact CD2-CD1 3.86Å; Y241-I244 HydrophobicContact CG-CD1 3.99Å; Y241-I244 PolarHBondContact O-N 3.39Å; Y241-I244 VanDerWaalsContact O-N 3.12Å; Y241-L245 PolarHBondContact O-N 3.18Å; Y241-L245 VanDerWaalsContact O-N 3.13Å
242	E	94.9	Very high	92.2	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-57.3	-34.1	-179.3	-66.1	-168.6	77.7	0	0	113.1	G240 L245 K246 W302 R322 N323 H324 N326 A331	G240-E242 PolarHBondContact O-N 3.33Å; E242-L245 PolarHBondContact O-N 3.2Å; E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 PolarHBondContact O-N 2.88Å; E242-W302 HydrophobicContact CB-CZ2 4.02Å; E242-W302 HydrophobicContact CG-CZ2 4.41Å; E242-W302 PolarHBondContact OE1-NE1 3.14Å; E242-R322 WeakPolarHBondContact OE1-CA 3.39Å; E242-R322 WeakPolarHBondContact OE1-CG 3.37Å; E242-N323 VanDerWaalsContact CD-N 3.29Å; E242-N323 PolarHBondContact OE1-N 2.74Å; E242-N323 WeakPolarHBondContact OE2-CA 3Å; E242-N323 PolarHBondContact OE2-N 3.42Å; E242-N323 VanDerWaalsContact OE2-N 3.17Å; E242-H324 PolarHBondContact OE2-N 2.8Å; E242-N326 WeakPolarHBondContact OE2-CA 3.4Å; E242-N326 PolarHBondContact OE2-N 2.85Å; E242-N326 VanDerWaalsContact OE2-N 3.14Å; E242-A331 HydrophobicContact CG-CB 3.95Å
243	T	92.8	Very high	92.3	Very high	77 Å²	77	33.3 Å²	33.3	47%	0.472	16%	0.156	S	C	.	.	H	α-helix	trans	-65.2	-40.2	177.5	-45.4	0	0	0	0	112.4	I121 Y241 K246 W247	I121-T243 HydrophobicContact CD1-CG2 3.71Å; I121-T243 HydrophobicContact CG2-CG2 4.39Å; Y241-T243 PolarHBondContact O-N 2.9Å; T243-K246 PolarHBondContact O-N 3.1Å; T243-W247 PolarHBondContact O-N 2.71Å; T243-W247 VanDerWaalsContact O-N 3.13Å
244	I	91.8	Very high	92.6	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-66.5	-46.3	176	-64.9	175.3	0	0	0	109.5	Y116 V118 I121 H237 Y241 K246 W247 A248	Y116-I244 HydrophobicContact CD2-CG2 3.63Å; Y116-I244 HydrophobicContact CE2-CG2 4.41Å; Y116-I244 HydrophobicContact CG-CG2 4.44Å; V118-I244 HydrophobicContact CG1-CD1 3.96Å; V118-I244 HydrophobicContact CG1-CG1 4.17Å; I121-I244 HydrophobicContact CD1-CB 4.32Å; I121-I244 HydrophobicContact CD1-CG1 3.47Å; I121-I244 VanDerWaalsContact CD1-CG1 3.47Å; I121-I244 HydrophobicContact CG1-CG1 4.32Å; H237-I244 VanDerWaalsContact CE1-CG2 3.5Å; H237-I244 WeakPolarHBondContact CE1-CG2 3.23Å; H237-I244 VanDerWaalsContact ND1-CG2 3.33Å; H237-I244 WeakPolarHBondContact ND1-CG2 3.25Å; Y241-I244 HydrophobicContact CD2-CD1 3.86Å; Y241-I244 HydrophobicContact CG-CD1 3.99Å; Y241-I244 PolarHBondContact O-N 3.39Å; Y241-I244 VanDerWaalsContact O-N 3.12Å; I244-K246 VanDerWaalsContact C-N 3.27Å; I244-K246 PolarHBondContact O-N 2.76Å; I244-W247 WeakPolarHBondContact O-CB 3.46Å; I244-W247 PolarHBondContact O-N 3.18Å; I244-W247 VanDerWaalsContact O-N 3.16Å; I244-A248 WeakPolarHBondContact O-CB 3.13Å; I244-A248 PolarHBondContact O-N 3.33Å
245	L	94.9	Very high	92.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-37.9	178.6	-175.2	57.7	0	0	0	111.6	Y241 E242 W247 A248 V249 Y255 I257 L289 W302 I330 A331 A334	Y241-L245 PolarHBondContact O-N 3.18Å; Y241-L245 VanDerWaalsContact O-N 3.13Å; E242-L245 PolarHBondContact O-N 3.2Å; L245-W247 VanDerWaalsContact C-N 3.35Å; L245-W247 PolarHBondContact O-N 3.2Å; L245-A248 PolarHBondContact O-N 2.97Å; L245-V249 HydrophobicContact CD1-CG2 4.19Å; L245-V249 HydrophobicContact CG-CG2 4.39Å; L245-V249 WeakPolarHBondContact O-CB 3.06Å; L245-V249 VanDerWaalsContact O-CG2 3.25Å; L245-V249 WeakPolarHBondContact O-CG2 3.04Å; L245-V249 PolarHBondContact O-N 3.36Å; L245-Y255 HydrophobicContact CD1-CD1 4.36Å; L245-Y255 HydrophobicContact CD1-CG 4.2Å; L245-I257 HydrophobicContact CD2-CG2 4.32Å; L245-L289 HydrophobicContact CD1-CD2 4.05Å; L245-L289 HydrophobicContact CD2-CD2 3.61Å; L245-L289 HydrophobicContact CG-CD2 3.71Å; L245-W302 HydrophobicContact CB-CH2 4.27Å; L245-W302 HydrophobicContact CB-CZ2 4.47Å; L245-W302 HydrophobicContact CD2-CZ2 4.36Å; L245-W302 HydrophobicContact CG-CH2 4.22Å; L245-W302 HydrophobicContact CG-CZ2 4.49Å; L245-I330 HydrophobicContact CD2-CG2 4.31Å; L245-A331 HydrophobicContact CB-CB 4.49Å; L245-A331 HydrophobicContact CD2-CB 3.85Å; L245-A334 HydrophobicContact CD1-CB 3.64Å; L245-A334 HydrophobicContact CD2-CB 4.18Å
246	K	96	Very high	93.1	Very high	29 Å²	29	31.6 Å²	31.6	13%	0.126	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-46.7	175.8	-173.7	-170.4	174.4	-166.4	0	110.7	T124 P125 E242 T243 I244 Y250 Y292 W302	T124-K246 WeakPolarHBondContact OG1-CE 3.21Å; P125-K246 WeakPolarHBondContact O-CE 3.39Å; P125-K246 PolarHBondContact O-NZ 3.49Å; E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 PolarHBondContact O-N 2.88Å; T243-K246 PolarHBondContact O-N 3.1Å; I244-K246 VanDerWaalsContact C-N 3.27Å; I244-K246 PolarHBondContact O-N 2.76Å; K246-Y250 PolarHBondContact O-N 3.23Å; K246-Y250 VanDerWaalsContact O-N 3.13Å; K246-Y292 HydrophobicContact CD-CD2 4.33Å; K246-Y292 HydrophobicContact CD-CE2 4.12Å; K246-Y292 VanDerWaalsContact CE-CZ 3.5Å; K246-Y292 HydrophobicContact CG-CD1 3.81Å; K246-Y292 HydrophobicContact CG-CD2 4.12Å; K246-Y292 HydrophobicContact CG-CE1 3.54Å; K246-Y292 HydrophobicContact CG-CE2 3.92Å; K246-Y292 HydrophobicContact CG-CG 4.07Å; K246-Y292 WeakPolarHBondContact O-CE1 3.37Å; K246-W302 HydrophobicContact CB-CH2 3.74Å; K246-W302 HydrophobicContact CB-CZ3 4.29Å; K246-W302 HydrophobicContact CG-CH2 4.47Å
247	W	94.7	Very high	93.4	Very high	40 Å²	40	31.5 Å²	31.5	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-46.3	176.1	-178.2	92.5	0	0	0	112.1	Y116 I121 G122 T124 T243 I244 L245 Y250 N251 E252	Y116-W247 HydrophobicContact CE1-CH2 4.31Å; Y116-W247 HydrophobicContact CE1-CZ3 4.26Å; Y116-W247 HydrophobicContact CE2-CE3 4.03Å; Y116-W247 AromaticContact CE2-CZ3 3.74Å; Y116-W247 HydrophobicContact CE2-CZ3 3.74Å; Y116-W247 AromaticContact CZ-CH2 3.83Å; Y116-W247 AromaticContact CZ-CZ3 3.47Å; Y116-W247 VanDerWaalsContact CZ-CZ3 3.47Å; Y116-W247 WeakPolarHBondContact OH-CH2 3.36Å; Y116-W247 WeakPolarHBondContact OH-CZ3 3.44Å; I121-W247 HydrophobicContact CG2-CB 3.72Å; I121-W247 HydrophobicContact CG2-CG 3.86Å; G122-W247 VanDerWaalsContact O-CD1 3.31Å; T124-W247 HydrophobicContact CG2-CB 4.16Å; T124-W247 HydrophobicContact CG2-CG 4.37Å; T243-W247 PolarHBondContact O-N 2.71Å; T243-W247 VanDerWaalsContact O-N 3.13Å; I244-W247 WeakPolarHBondContact O-CB 3.46Å; I244-W247 PolarHBondContact O-N 3.18Å; I244-W247 VanDerWaalsContact O-N 3.16Å; L245-W247 VanDerWaalsContact C-N 3.35Å; L245-W247 PolarHBondContact O-N 3.2Å; W247-Y250 PolarHBondContact O-N 3Å; W247-N251 VanDerWaalsContact CD1-ND2 3.26Å; W247-N251 HydrophobicContact CH2-CB 4.36Å; W247-N251 HydrophobicContact CZ2-CB 4.22Å; W247-N251 PolarHBondContact NE1-ND2 3.27Å; W247-N251 PolarHBondContact O-N 3.3Å; W247-N251 PolarHBondContact O-ND2 3.06Å; W247-E252 HydrophobicContact CZ3-CG 4.25Å
248	A	94.7	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-43	-179.2	0	0	0	0	0	111.9	H237 I244 L245 Y250 E252 Y255	H237-A248 WeakPolarHBondContact NE2-CB 3.29Å; I244-A248 WeakPolarHBondContact O-CB 3.13Å; I244-A248 PolarHBondContact O-N 3.33Å; L245-A248 PolarHBondContact O-N 2.97Å; A248-Y250 VanDerWaalsContact C-N 3.33Å; A248-Y250 PolarHBondContact O-N 3.5Å; A248-E252 WeakPolarHBondContact O-CA 3.16Å; A248-E252 WeakPolarHBondContact O-CB 3.36Å; A248-E252 VanDerWaalsContact O-CG 3.24Å; A248-E252 WeakPolarHBondContact O-CG 3.28Å; A248-E252 PolarHBondContact O-N 2.82Å; A248-Y255 HydrophobicContact CB-CE2 3.7Å
249	V	97.3	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-45.4	176.6	170.7	0	0	0	0	110.7	W130 L245 G253 Y255 L289 Y292	W130-V249 PolarHBondContact NE1-O 3.05Å; L245-V249 HydrophobicContact CD1-CG2 4.19Å; L245-V249 HydrophobicContact CG-CG2 4.39Å; L245-V249 WeakPolarHBondContact O-CB 3.06Å; L245-V249 VanDerWaalsContact O-CG2 3.25Å; L245-V249 WeakPolarHBondContact O-CG2 3.04Å; L245-V249 PolarHBondContact O-N 3.36Å; V249-G253 WeakPolarHBondContact CA-O 3.38Å; V249-G253 PolarHBondContact O-N 3.37Å; V249-Y255 HydrophobicContact CG2-CD2 4.19Å; V249-L289 HydrophobicContact CG2-CD2 3.49Å; V249-L289 VanDerWaalsContact CG2-CD2 3.49Å; V249-L289 HydrophobicContact CG2-CG 3.73Å; V249-Y292 HydrophobicContact CG1-CD1 4.31Å; V249-Y292 HydrophobicContact CG1-CE1 4.36Å
250	Y	97.2	Very high	95.2	Very high	58 Å²	58	22.6 Å²	22.6	23%	0.227	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-50.6	179.9	174.5	-112.4	0	0	0	113.3	W123 T124 P125 Y128 W130 K246 W247 A248 Y292	W123-Y250 HydrophobicContact CZ3-CE1 4.35Å; T124-Y250 HydrophobicContact CG2-CD1 3.73Å; T124-Y250 HydrophobicContact CG2-CG 4.01Å; P125-Y250 VanDerWaalsContact CD-CE2 3.45Å; P125-Y250 HydrophobicContact CG-CD2 3.77Å; P125-Y250 HydrophobicContact CG-CE2 3.64Å; P125-Y250 HydrophobicContact CG-CG 4.48Å; Y128-Y250 AromaticContact CD1-CD2 3.97Å; Y128-Y250 HydrophobicContact CD1-CD2 3.97Å; Y128-Y250 AromaticContact CD2-CD2 3.47Å; Y128-Y250 HydrophobicContact CD2-CD2 3.47Å; Y128-Y250 VanDerWaalsContact CD2-CD2 3.47Å; Y128-Y250 AromaticContact CD2-CE2 3.54Å; Y128-Y250 HydrophobicContact CD2-CE2 3.54Å; Y128-Y250 HydrophobicContact CE1-CD2 4.12Å; Y128-Y250 AromaticContact CE2-CD2 3.64Å; Y128-Y250 HydrophobicContact CE2-CD2 3.64Å; Y128-Y250 AromaticContact CE2-CE2 3.44Å; Y128-Y250 HydrophobicContact CE2-CE2 3.44Å; Y128-Y250 VanDerWaalsContact CE2-CE2 3.44Å; Y128-Y250 AromaticContact CG-CD2 3.62Å; Y128-Y250 HydrophobicContact CG-CD2 3.62Å; Y128-Y250 HydrophobicContact CG-CE2 4.2Å; Y128-Y250 AromaticContact CZ-CD2 3.95Å; W130-Y250 WeakPolarHBondContact CZ2-O 3.39Å; K246-Y250 PolarHBondContact O-N 3.23Å; K246-Y250 VanDerWaalsContact O-N 3.13Å; W247-Y250 PolarHBondContact O-N 3Å; A248-Y250 VanDerWaalsContact C-N 3.33Å; A248-Y250 PolarHBondContact O-N 3.5Å; Y250-Y292 WeakPolarHBondContact CB-OH 2.96Å
251	N	94.7	Very high	95.5	Very high	77 Å²	77	21.9 Å²	21.9	41%	0.412	10%	0.102	S	C	.	.	H	α-helix	trans	-82	-19.6	-171	-69.1	-76.4	0	0	0	113	W247	W247-N251 VanDerWaalsContact CD1-ND2 3.26Å; W247-N251 HydrophobicContact CH2-CB 4.36Å; W247-N251 HydrophobicContact CZ2-CB 4.22Å; W247-N251 PolarHBondContact NE1-ND2 3.27Å; W247-N251 PolarHBondContact O-N 3.3Å; W247-N251 PolarHBondContact O-ND2 3.06Å
252	E	94.7	Very high	95.6	Very high	25 Å²	25	16.9 Å²	16.9	12%	0.117	8%	0.084	C	C	.	.	H	α-helix	trans	-132.9	-1.1	-163.2	-27.4	-169.7	120.1	0	0	115.7	Q160 K235 W247 A248 Y255 R336	Q160-E252 PolarHBondContact NE2-O 3.13Å; K235-E252 WeakPolarHBondContact CD-OE2 3.32Å; K235-E252 IonicContact NZ-OE1 2.79Å; K235-E252 PolarHBondContact NZ-OE1 2.68Å; K235-E252 IonicContact NZ-OE2 2.82Å; K235-E252 PolarHBondContact NZ-OE2 2.83Å; W247-E252 HydrophobicContact CZ3-CG 4.25Å; A248-E252 WeakPolarHBondContact O-CA 3.16Å; A248-E252 WeakPolarHBondContact O-CB 3.36Å; A248-E252 VanDerWaalsContact O-CG 3.24Å; A248-E252 WeakPolarHBondContact O-CG 3.28Å; A248-E252 PolarHBondContact O-N 2.82Å; E252-Y255 PolarHBondContact OE2-OH 2.91Å; E252-R336 VanDerWaalsContact CB-NH2 3.32Å; E252-R336 PolarHBondContact O-NH1 2.92Å; E252-R336 IonicContact OE1-NH2 3.12Å; E252-R336 PolarHBondContact OE1-NH2 2.94Å; E252-R336 VanDerWaalsContact OE1-NH2 3.12Å; E252-R336 IonicContact OE2-CZ 3.01Å; E252-R336 IonicContact OE2-NE 3.31Å; E252-R336 PolarHBondContact OE2-NE 3.47Å; E252-R336 IonicContact OE2-NH2 2.66Å; E252-R336 PolarHBondContact OE2-NH2 3.48Å
253	G	97.3	Very high	95.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.			trans	100.8	-176.6	176.2	0	0	0	0	0	113.8	W130 V249 Y255	W130-G253 VanDerWaalsContact CE2-CA 3.47Å; V249-G253 WeakPolarHBondContact CA-O 3.38Å; V249-G253 PolarHBondContact O-N 3.37Å; G253-Y255 WeakPolarHBondContact O-CD2 3.34Å
254	P	98.5	Very high	95.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.			trans	-58.4	153.4	175.8	-28.4	38.7	0	0	0	113.6	W130 I135 V136 V156 L288 L289	W130-P254 HydrophobicContact CB-CG 3.98Å; W130-P254 HydrophobicContact CG-CG 3.88Å; I135-P254 HydrophobicContact CD1-CG 3.99Å; V136-P254 HydrophobicContact CG2-CG 4.28Å; V156-P254 VanDerWaalsContact CG2-O 3.22Å; V156-P254 WeakPolarHBondContact CG2-O 3.48Å; P254-L288 HydrophobicContact CB-CD1 3.68Å; P254-L288 HydrophobicContact CB-CD2 4.1Å; P254-L288 HydrophobicContact CB-CG 3.94Å; P254-L289 WeakPolarHBondContact CA-O 3.18Å; P254-L289 WeakPolarHBondContact CB-O 3.37Å
255	Y	98.2	Very high	96.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.8	177.2	-92.6	-102.9	0	0	0	110	H237 L245 A248 V249 E252 G253 L289 A334 F335 R336	H237-Y255 AromaticContact CD2-CE1 3.37Å; H237-Y255 WeakPolarHBondContact CD2-CE1 3.38Å; H237-Y255 AromaticContact CD2-CZ 3.55Å; H237-Y255 PolarHBondContact CD2-OH 3.24Å; H237-Y255 AromaticContact NE2-CE1 3.99Å; H237-Y255 AromaticContact NE2-CZ 3.71Å; H237-Y255 PolarHBondContact NE2-OH 2.98Å; L245-Y255 HydrophobicContact CD1-CD1 4.36Å; L245-Y255 HydrophobicContact CD1-CG 4.2Å; A248-Y255 HydrophobicContact CB-CE2 3.7Å; V249-Y255 HydrophobicContact CG2-CD2 4.19Å; E252-Y255 PolarHBondContact OE2-OH 2.91Å; G253-Y255 WeakPolarHBondContact O-CD2 3.34Å; Y255-L289 PolarHBondContact N-O 3.39Å; Y255-L289 VanDerWaalsContact N-O 3.13Å; Y255-L289 WeakPolarHBondContact O-CB 3.32Å; Y255-L289 PolarHBondContact O-N 3.21Å; Y255-A334 HydrophobicContact CD1-CB 4.14Å; Y255-F335 CarbonylContact C-O 3.59Å; Y255-F335 WeakPolarHBondContact CA-O 3.44Å; Y255-F335 VanDerWaalsContact CD1-O 3.26Å; Y255-F335 WeakPolarHBondContact CD1-O 3.47Å; Y255-R336 HydrophobicContact CD1-CB 4.03Å; Y255-R336 HydrophobicContact CD1-CG 4.28Å; Y255-R336 HydrophobicContact CD2-CB 4.39Å; Y255-R336 HydrophobicContact CE1-CB 3.89Å; Y255-R336 HydrophobicContact CE1-CG 3.63Å; Y255-R336 HydrophobicContact CE2-CB 4.29Å; Y255-R336 VanDerWaalsContact CE2-CD 3.42Å; Y255-R336 HydrophobicContact CE2-CG 3.92Å; Y255-R336 HydrophobicContact CG-CB 4.26Å; Y255-R336 VanDerWaalsContact CZ-CG 3.44Å; Y255-R336 WeakPolarHBondContact OH-CD 3.47Å; Y255-R336 PolarHBondContact OH-NE 2.9Å
256	V	98.1	Very high	96.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.1	161.5	64.1	0	0	0	0	108.1	A152 V153 V156 T193 F197 M287 A334 F335	A152-V256 HydrophobicContact CB-CB 4.47Å; A152-V256 HydrophobicContact CB-CG2 3.45Å; A152-V256 VanDerWaalsContact CB-CG2 3.45Å; V153-V256 HydrophobicContact CG2-CG1 4.47Å; V156-V256 HydrophobicContact CG1-CB 4.21Å; V156-V256 HydrophobicContact CG1-CG1 4.34Å; T193-V256 HydrophobicContact CG2-CB 4.42Å; T193-V256 HydrophobicContact CG2-CG1 3.64Å; T193-V256 HydrophobicContact CG2-CG2 3.81Å; F197-V256 HydrophobicContact CE2-CG1 3.85Å; F197-V256 HydrophobicContact CZ-CG1 3.54Å; V256-M287 CarbonylContact C-O 3.55Å; V256-M287 WeakPolarHBondContact CA-O 3.49Å; V256-A334 CarbonylContact O-C 3.45Å; V256-A334 WeakPolarHBondContact O-CA 3.48Å; V256-F335 HydrophobicContact CG1-CB 3.7Å; V256-F335 HydrophobicContact CG1-CD2 4.23Å; V256-F335 HydrophobicContact CG1-CG 4.47Å; V256-F335 WeakPolarHBondContact CG1-O 3.4Å; V256-F335 PolarHBondContact N-O 3.2Å; V256-F335 PolarHBondContact O-N 3.36Å
257	I	96.9	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	160.8	172	64.3	80.4	0	0	0	109.5	L245 M259 S286 M287 L289 L304 I330 M333 A334	L245-I257 HydrophobicContact CD2-CG2 4.32Å; I257-M259 HydrophobicContact CD1-CB 4.04Å; I257-M259 HydrophobicContact CD1-CG 4.33Å; I257-S286 CarbonylContact O-C 3.36Å; I257-S286 VanDerWaalsContact O-CA 3.25Å; I257-S286 WeakPolarHBondContact O-CA 3.37Å; I257-M287 HydrophobicContact CD1-CB 4.1Å; I257-M287 HydrophobicContact CG1-CB 4.5Å; I257-M287 PolarHBondContact N-O 3.37Å; I257-M287 PolarHBondContact O-N 3.39Å; I257-L289 HydrophobicContact CG1-CB 4.37Å; I257-L289 HydrophobicContact CG2-CB 3.82Å; I257-L289 HydrophobicContact CG2-CD2 3.99Å; I257-L304 HydrophobicContact CD1-CD1 4.16Å; I257-L304 HydrophobicContact CD1-CD2 4.2Å; I257-L304 HydrophobicContact CG1-CD2 3.79Å; I257-I330 WeakPolarHBondContact CB-O 3.47Å; I257-I330 HydrophobicContact CD1-CG1 4.48Å; I257-I330 HydrophobicContact CG1-CG2 4.4Å; I257-I330 HydrophobicContact CG2-CG2 4.46Å; I257-M333 CarbonylContact C-O 3.58Å; I257-M333 VanDerWaalsContact CA-O 3.32Å; I257-M333 WeakPolarHBondContact CA-O 3.17Å; I257-A334 HydrophobicContact CG2-CB 3.85Å
258	S	95.2	Very high	96.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.7	166.6	-55.7	0	0	0	0	109.6	E98 Q285 S286 G329 M333	E98-S258 WeakPolarHBondContact CG-OG 3.23Å; S258-Q285 CarbonylContact C-O 3.56Å; S258-Q285 WeakPolarHBondContact CA-O 3.44Å; S258-S286 PolarHBondContact OG-OG 3.19Å; S258-G329 VanDerWaalsContact O-O 3.09Å; S258-M333 PolarHBondContact N-O 3.1Å; S258-M333 VanDerWaalsContact N-O 3.08Å
259	M	94.8	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	162.4	179.4	70.1	171.3	-65.8	0	0	111.4	I257 I261 F265 N284 Q285 M287 L304 C328 I330	I257-M259 HydrophobicContact CD1-CB 4.04Å; I257-M259 HydrophobicContact CD1-CG 4.33Å; M259-I261 HydrophobicContact CE-CG2 3.83Å; M259-I261 HydrophobicContact CG-CG2 3.94Å; M259-I261 HydrophobicContact SD-CG2 3.89Å; M259-F265 HydrophobicContact CE-CD2 3.86Å; M259-F265 HydrophobicContact CE-CE2 3.49Å; M259-F265 VanDerWaalsContact CE-CE2 3.49Å; M259-F265 HydrophobicContact CE-CZ 4.07Å; M259-F265 HydrophobicContact SD-CE2 3.68Å; M259-F265 HydrophobicContact SD-CZ 3.66Å; M259-N284 PolarHBondContact O-N 3.11Å; M259-N284 PolarHBondContact O-OD1 3.35Å; M259-Q285 HydrophobicContact CG-CB 4.26Å; M259-Q285 PolarHBondContact N-O 2.77Å; M259-Q285 PolarHBondContact O-N 2.67Å; M259-M287 HydrophobicContact CG-SD 4.36Å; M259-M287 HydrophobicContact SD-SD 3.63Å; M259-M287 VanDerWaalsContact SD-SD 3.63Å; M259-L304 HydrophobicContact SD-CD1 4.14Å; M259-C328 CarbonylContact C-O 3.58Å; M259-C328 VanDerWaalsContact CA-O 3.26Å; M259-C328 WeakPolarHBondContact CA-O 3.31Å; M259-C328 HydrophobicContact CB-CB 4.46Å; M259-C328 HydrophobicContact CE-CB 3.86Å; M259-I330 HydrophobicContact CB-CG1 4.34Å
260	N	95.2	Very high	96.8	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.07	10%	0.101	C	C	.	.			trans	-94.3	106.9	167.7	-178.9	-154.6	0	0	0	110.3	C278 T279 N282 N284 C328	N260-C278 HydrophobicContact CB-CB 4.33Å; N260-C278 VanDerWaalsContact O-CB 3.27Å; N260-C278 WeakPolarHBondContact O-CB 3.22Å; N260-C278 WeakPolarHBondContact OD1-CA 3.4Å; N260-T279 WeakPolarHBondContact CB-O 3.38Å; N260-T279 PolarHBondContact OD1-N 3.37Å; N260-T279 PolarHBondContact OD1-OG1 3.03Å; N260-N282 VanDerWaalsContact CB-O 3.31Å; N260-N282 WeakPolarHBondContact CB-O 3.49Å; N260-N282 VanDerWaalsContact CG-O 3.22Å; N260-N282 PolarHBondContact ND2-O 3.09Å; N260-N282 VanDerWaalsContact ND2-O 3.12Å; N260-N284 VanDerWaalsContact CA-OD1 3.27Å; N260-N284 WeakPolarHBondContact CA-OD1 3.48Å; N260-N284 PolarHBondContact ND2-OD1 3.35Å; N260-C328 PolarHBondContact N-O 2.93Å; N260-C328 WeakPolarHBondContact O-CB 3.38Å
261	I	95.7	Very high	96.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.098	C	C	.	.			trans	-83.9	151.2	171.4	61.8	166.4	0	0	0	111	W87 F90 M259 F265 L266 N284 Q285 W308	W87-I261 HydrophobicContact CH2-CG1 4.38Å; W87-I261 WeakPolarHBondContact CH2-O 3.03Å; F90-I261 HydrophobicContact CE1-CD1 3.78Å; F90-I261 HydrophobicContact CZ-CD1 4.29Å; M259-I261 HydrophobicContact CE-CG2 3.83Å; M259-I261 HydrophobicContact CG-CG2 3.94Å; M259-I261 HydrophobicContact SD-CG2 3.89Å; I261-F265 HydrophobicContact CB-CB 3.91Å; I261-F265 HydrophobicContact CB-CD1 3.8Å; I261-F265 HydrophobicContact CB-CE1 4.47Å; I261-F265 HydrophobicContact CB-CG 3.84Å; I261-F265 HydrophobicContact CG2-CB 4.22Å; I261-F265 HydrophobicContact CG2-CD1 3.31Å; I261-F265 HydrophobicContact CG2-CD2 4.03Å; I261-F265 HydrophobicContact CG2-CE1 3.5Å; I261-F265 HydrophobicContact CG2-CE2 4.2Å; I261-F265 HydrophobicContact CG2-CG 3.58Å; I261-F265 HydrophobicContact CG2-CZ 3.93Å; I261-L266 HydrophobicContact CD1-CD2 4.34Å; I261-N284 WeakPolarHBondContact CG1-OD1 3.46Å; I261-N284 PolarHBondContact N-OD1 3.37Å; I261-N284 PolarHBondContact O-ND2 3.35Å; I261-Q285 HydrophobicContact CD1-CB 4.11Å; I261-Q285 HydrophobicContact CD1-CG 4.5Å; I261-Q285 HydrophobicContact CG1-CB 4.07Å; I261-Q285 HydrophobicContact CG2-CB 3.65Å; I261-Q285 HydrophobicContact CG2-CG 4.07Å; I261-W308 HydrophobicContact CD1-CH2 3.79Å; I261-W308 HydrophobicContact CD1-CZ2 4.1Å
262	D	95.1	Very high	97	Very high	14 Å²	14	15.4 Å²	15.4	8%	0.075	8%	0.08	C	C	.	.			trans	-120.7	-174.2	170.4	67.1	53.9	0	0	0	111.2	W87 N264 F265 Y273 S275 T277	W87-D262 VanDerWaalsContact CZ3-C 3.41Å; W87-D262 WeakPolarHBondContact CZ3-O 3.26Å; D262-N264 VanDerWaalsContact C-N 3.35Å; D262-N264 PolarHBondContact O-N 2.99Å; D262-N264 WeakPolarHBondContact OD1-CB 3.38Å; D262-N264 PolarHBondContact OD1-N 3.3Å; D262-F265 VanDerWaalsContact O-CB 3.3Å; D262-F265 WeakPolarHBondContact O-CB 3.25Å; D262-F265 PolarHBondContact O-N 3.31Å; D262-F265 PolarHBondContact OD1-N 2.78Å; D262-Y273 PolarHBondContact OD1-OH 3.46Å; D262-Y273 PolarHBondContact OD2-OH 3.01Å; D262-S275 WeakPolarHBondContact OD2-CB 3.25Å; D262-S275 PolarHBondContact OD2-OG 3.49Å; D262-T277 PolarHBondContact OD2-OG1 2.5Å
263	E	95.7	Very high	97.2	Very high	51 Å²	51	14.2 Å²	14.2	24%	0.238	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-36.9	-177	-173.9	-175.2	-177.1	0	0	113.8	K60 W87 F265 L266	K60-E263 IonicContact NZ-OE1 3.35Å; K60-E263 PolarHBondContact NZ-OE1 2.85Å; K60-E263 IonicContact NZ-OE2 3.53Å; K60-E263 PolarHBondContact NZ-OE2 2.82Å; W87-E263 HydrophobicContact CB-CB 4Å; W87-E263 HydrophobicContact CB-CG 3.78Å; W87-E263 HydrophobicContact CD2-CB 3.89Å; W87-E263 HydrophobicContact CE3-CB 3.98Å; W87-E263 HydrophobicContact CG-CB 3.89Å; W87-E263 HydrophobicContact CG-CG 4.24Å; E263-F265 VanDerWaalsContact C-N 3.28Å; E263-F265 PolarHBondContact O-N 3.22Å; E263-L266 PolarHBondContact O-N 3.04Å
264	N	97.1	Very high	97.2	Very high	31 Å²	31	16.6 Å²	16.6	17%	0.166	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.2	179	-76.4	-4.3	0	0	0	111.3	K60 Y75 D262 L266 H267 Y268 Y273	K60-N264 WeakPolarHBondContact CE-OD1 3.07Å; K60-N264 PolarHBondContact NZ-OD1 3.18Å; Y75-N264 HydrophobicContact CE2-CB 4.33Å; Y75-N264 WeakPolarHBondContact OH-CB 3.29Å; Y75-N264 PolarHBondContact OH-ND2 3Å; Y75-N264 VanDerWaalsContact OH-ND2 3.11Å; D262-N264 VanDerWaalsContact C-N 3.35Å; D262-N264 PolarHBondContact O-N 2.99Å; D262-N264 WeakPolarHBondContact OD1-CB 3.38Å; D262-N264 PolarHBondContact OD1-N 3.3Å; N264-L266 PolarHBondContact O-N 2.69Å; N264-H267 CarbonylContact O-C 3.49Å; N264-H267 PolarHBondContact O-N 3.02Å; N264-Y268 PolarHBondContact O-N 3.18Å; N264-Y273 HydrophobicContact CB-CE2 4.36Å
265	F	97.7	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58.6	-36	178.1	-163.4	-89	0	0	0	112.4	M259 I261 D262 E263 H267 Y268 Y273 M287 W308 W312 V318	M259-F265 HydrophobicContact CE-CD2 3.86Å; M259-F265 HydrophobicContact CE-CE2 3.49Å; M259-F265 VanDerWaalsContact CE-CE2 3.49Å; M259-F265 HydrophobicContact CE-CZ 4.07Å; M259-F265 HydrophobicContact SD-CE2 3.68Å; M259-F265 HydrophobicContact SD-CZ 3.66Å; I261-F265 HydrophobicContact CB-CB 3.91Å; I261-F265 HydrophobicContact CB-CD1 3.8Å; I261-F265 HydrophobicContact CB-CE1 4.47Å; I261-F265 HydrophobicContact CB-CG 3.84Å; I261-F265 HydrophobicContact CG2-CB 4.22Å; I261-F265 HydrophobicContact CG2-CD1 3.31Å; I261-F265 HydrophobicContact CG2-CD2 4.03Å; I261-F265 HydrophobicContact CG2-CE1 3.5Å; I261-F265 HydrophobicContact CG2-CE2 4.2Å; I261-F265 HydrophobicContact CG2-CG 3.58Å; I261-F265 HydrophobicContact CG2-CZ 3.93Å; D262-F265 VanDerWaalsContact O-CB 3.3Å; D262-F265 WeakPolarHBondContact O-CB 3.25Å; D262-F265 PolarHBondContact O-N 3.31Å; D262-F265 PolarHBondContact OD1-N 2.78Å; E263-F265 VanDerWaalsContact C-N 3.28Å; E263-F265 PolarHBondContact O-N 3.22Å; F265-H267 PolarHBondContact O-N 3.45Å; F265-Y268 PolarHBondContact O-N 3.28Å; F265-Y268 VanDerWaalsContact O-N 3.1Å; F265-Y273 HydrophobicContact CB-CE2 4.02Å; F265-Y273 AromaticContact CD2-CD1 3.98Å; F265-Y273 HydrophobicContact CD2-CD1 3.98Å; F265-Y273 HydrophobicContact CD2-CD2 4.1Å; F265-Y273 AromaticContact CD2-CE1 3.76Å; F265-Y273 HydrophobicContact CD2-CE1 3.76Å; F265-Y273 AromaticContact CD2-CE2 3.85Å; F265-Y273 HydrophobicContact CD2-CE2 3.85Å; F265-Y273 HydrophobicContact CD2-CG 4.14Å; F265-Y273 AromaticContact CD2-CZ 3.68Å; F265-Y273 HydrophobicContact CE2-CD1 4.38Å; F265-Y273 HydrophobicContact CG-CE2 4.4Å; F265-Y273 PolarHBondContact N-OH 2.87Å; F265-M287 HydrophobicContact CE1-SD 4.3Å; F265-M287 HydrophobicContact CZ-CE 4.2Å; F265-M287 HydrophobicContact CZ-SD 3.76Å; F265-W308 AromaticContact CD1-CH2 3.81Å; F265-W308 HydrophobicContact CD1-CH2 3.81Å; F265-W308 AromaticContact CD1-CZ3 3.74Å; F265-W308 HydrophobicContact CD1-CZ3 3.74Å; F265-W308 HydrophobicContact CE1-CH2 4.01Å; F265-W308 AromaticContact CE1-CZ3 3.86Å; F265-W308 HydrophobicContact CE1-CZ3 3.86Å; F265-W312 HydrophobicContact CD1-CH2 4.45Å; F265-W312 AromaticContact CD1-CZ2 3.92Å; F265-W312 HydrophobicContact CD1-CZ2 3.92Å; F265-W312 AromaticContact CE1-CH2 3.71Å; F265-W312 HydrophobicContact CE1-CH2 3.71Å; F265-W312 AromaticContact CE1-CZ2 3.6Å; F265-W312 HydrophobicContact CE1-CZ2 3.6Å; F265-W312 AromaticContact CZ-CH2 3.8Å; F265-W312 HydrophobicContact CZ-CH2 3.8Å; F265-W312 HydrophobicContact CZ-CZ2 4.09Å; F265-W312 WeakPolarHBondContact O-CZ2 3.48Å; F265-W312 PolarHBondContact O-NE1 2.97Å; F265-V318 HydrophobicContact CE2-CG1 4.27Å; F265-V318 HydrophobicContact CE2-CG2 4.12Å; F265-V318 HydrophobicContact CZ-CG1 3.99Å
266	L	96.3	Very high	97	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-56	-26.4	176.5	-59.9	-171.8	0	0	0	112.7	S80 F82 W87 F90 I261 E263 N264 W308 W312	S80-L266 VanDerWaalsContact CB-O 3.31Å; S80-L266 WeakPolarHBondContact CB-O 3.27Å; S80-L266 PolarHBondContact OG-O 3.4Å; S80-L266 VanDerWaalsContact OG-O 3.1Å; F82-L266 HydrophobicContact CB-CB 4.29Å; F82-L266 HydrophobicContact CB-CD1 4.39Å; F82-L266 HydrophobicContact CD2-CB 4.4Å; F82-L266 HydrophobicContact CD2-CD2 4.46Å; W87-L266 HydrophobicContact CE3-CD1 3.84Å; W87-L266 HydrophobicContact CE3-CG 4.24Å; W87-L266 HydrophobicContact CZ3-CD1 4.18Å; W87-L266 HydrophobicContact CZ3-CD2 4.32Å; W87-L266 HydrophobicContact CZ3-CG 4.16Å; F90-L266 HydrophobicContact CB-CD1 4.06Å; F90-L266 HydrophobicContact CD1-CD1 4.15Å; F90-L266 HydrophobicContact CD1-CD2 3.8Å; F90-L266 HydrophobicContact CD2-CD1 4.09Å; F90-L266 HydrophobicContact CD2-CD2 3.97Å; F90-L266 HydrophobicContact CE1-CD2 3.55Å; F90-L266 HydrophobicContact CE2-CD2 3.73Å; F90-L266 HydrophobicContact CG-CD1 3.83Å; F90-L266 HydrophobicContact CG-CD2 4.02Å; F90-L266 HydrophobicContact CZ-CD2 3.53Å; I261-L266 HydrophobicContact CD1-CD2 4.34Å; E263-L266 PolarHBondContact O-N 3.04Å; N264-L266 PolarHBondContact O-N 2.69Å; L266-W308 HydrophobicContact CD2-CH2 3.8Å; L266-W308 HydrophobicContact CD2-CZ3 4.27Å; L266-W312 PolarHBondContact O-NE1 3.19Å
267	H	98	Very high	96.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-112.6	7.8	-175	-58.6	-31.4	0	0	0	112.8	I61 I77 G78 S80 N264 F265 K269	I61-H267 HydrophobicContact CD1-CB 4.47Å; I61-H267 HydrophobicContact CG1-CB 4.36Å; I77-H267 CarbonylContact C-O 3.59Å; I77-H267 WeakPolarHBondContact CA-O 3.49Å; I77-H267 HydrophobicContact CB-CB 3.85Å; I77-H267 VanDerWaalsContact CB-O 3.23Å; I77-H267 WeakPolarHBondContact CB-O 3.46Å; I77-H267 HydrophobicContact CD1-CB 4.43Å; I77-H267 HydrophobicContact CG2-CB 4.4Å; G78-H267 PolarHBondContact N-O 3Å; G78-H267 WeakPolarHBondContact O-CB 3.42Å; S80-H267 PolarHBondContact OG-ND1 2.92Å; N264-H267 CarbonylContact O-C 3.49Å; N264-H267 PolarHBondContact O-N 3.02Å; F265-H267 PolarHBondContact O-N 3.45Å; H267-K269 PolarHBondContact O-N 2.77Å
268	Y	98.6	Very high	96.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	133.4	178	171.3	-91.9	0	0	0	111.3	Y75 N264 F265 G271 Y273 W312 G313 E314 Y317 V318 K319	Y75-Y268 HydrophobicContact CD2-CD2 4.2Å; N264-Y268 PolarHBondContact O-N 3.18Å; F265-Y268 PolarHBondContact O-N 3.28Å; F265-Y268 VanDerWaalsContact O-N 3.1Å; Y268-G271 WeakPolarHBondContact CE2-O 3.27Å; Y268-G271 PolarHBondContact OH-N 3.12Å; Y268-G271 PolarHBondContact OH-O 2.95Å; Y268-Y273 HydrophobicContact CD2-CD2 4.1Å; Y268-W312 AromaticContact CD1-CH2 3.96Å; Y268-W312 HydrophobicContact CD1-CH2 3.96Å; Y268-W312 HydrophobicContact CD1-CZ2 4.16Å; Y268-W312 HydrophobicContact CD1-CZ3 4.31Å; Y268-W312 HydrophobicContact CG-CH2 4.5Å; Y268-W312 HydrophobicContact CG-CZ2 4.41Å; Y268-G313 WeakPolarHBondContact O-CA 3.23Å; Y268-G313 PolarHBondContact O-N 2.95Å; Y268-E314 HydrophobicContact CE1-CG 4.26Å; Y268-E314 PolarHBondContact OH-OE2 2.91Å; Y268-Y317 WeakPolarHBondContact CE1-O 3.38Å; Y268-V318 HydrophobicContact CD1-CB 3.8Å; Y268-V318 HydrophobicContact CD1-CG2 3.68Å; Y268-V318 HydrophobicContact CD2-CG2 3.85Å; Y268-V318 HydrophobicContact CE1-CB 3.66Å; Y268-V318 HydrophobicContact CE1-CG2 3.64Å; Y268-V318 HydrophobicContact CE2-CG2 3.76Å; Y268-V318 HydrophobicContact CG-CB 4.39Å; Y268-V318 HydrophobicContact CG-CG2 3.79Å; Y268-K319 PolarHBondContact OH-N 2.86Å
269	K	98.5	Very high	96.8	Very high	121 Å²	121	32.4 Å²	32.4	53%	0.526	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-49.3	179.9	-176.9	-178.3	175.7	-171.4	0	112.7	S76 H267 G313 E314	S76-K269 PolarHBondContact O-N 3.43Å; H267-K269 PolarHBondContact O-N 2.77Å; K269-G313 CarbonylContact O-C 3.53Å; K269-E314 WeakPolarHBondContact O-CG 3.42Å; K269-E314 PolarHBondContact O-N 3.27Å
270	S	98.3	Very high	96.6	Very high	35 Å²	35	37.4 Å²	37.4	25%	0.245	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	164	-178.5	67.5	0	0	0	0	112.2	Y75 S76	Y75-S270 CarbonylContact C-O 3.58Å; Y75-S270 VanDerWaalsContact CA-O 3.24Å; Y75-S270 WeakPolarHBondContact CA-O 3.09Å; Y75-S270 VanDerWaalsContact CB-O 3.3Å; Y75-S270 WeakPolarHBondContact CB-O 3.3Å; S76-S270 PolarHBondContact N-O 3.39Å; S76-S270 PolarHBondContact O-N 2.8Å; S76-S270 PolarHBondContact OG-OG 3.38Å
271	G	98	Very high	96.3	Very high	17 Å²	17	44 Å²	44	18%	0.175	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.1	-168.3	179.1	0	0	0	0	0	112.2	T74 Y268	T74-G271 CarbonylContact O-C 3.54Å; T74-G271 WeakPolarHBondContact O-CA 3.34Å; Y268-G271 WeakPolarHBondContact CE2-O 3.27Å; Y268-G271 PolarHBondContact OH-N 3.12Å; Y268-G271 PolarHBondContact OH-O 2.95Å
272	I	98.6	Very high	96	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	108.9	179.8	-61	175.8	0	0	0	108.6	T74 Q274 D295 N299 Y301 K319 L321	T74-I272 WeakPolarHBondContact CB-O 3.38Å; T74-I272 PolarHBondContact O-N 3.23Å; T74-I272 PolarHBondContact OG1-O 3.38Å; I272-Q274 PolarHBondContact O-N 3.36Å; I272-D295 HydrophobicContact CD1-CB 3.94Å; I272-D295 VanDerWaalsContact CD1-OD2 3.27Å; I272-D295 WeakPolarHBondContact CD1-OD2 3.43Å; I272-N299 HydrophobicContact CD1-CB 3.7Å; I272-Y301 HydrophobicContact CD1-CD1 3.7Å; I272-Y301 HydrophobicContact CD1-CG 4.33Å; I272-Y301 HydrophobicContact CG1-CD1 4.08Å; I272-Y301 HydrophobicContact CG1-CG 4.42Å; I272-K319 HydrophobicContact CG1-CB 4.38Å; I272-L321 HydrophobicContact CG2-CB 3.89Å; I272-L321 HydrophobicContact CG2-CD1 4Å
273	Y	98.7	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	132.8	176.5	-174.8	-92.3	0	0	0	111.1	Y75 D262 N264 F265 Y268 K319 V320 L321	Y75-Y273 HydrophobicContact CD1-CD2 4.44Å; Y75-Y273 AromaticContact CD2-CD2 3.91Å; Y75-Y273 HydrophobicContact CD2-CD2 3.91Å; Y75-Y273 HydrophobicContact CD2-CE2 4.48Å; Y75-Y273 HydrophobicContact CE1-CD2 4.24Å; Y75-Y273 AromaticContact CE2-CD2 3.66Å; Y75-Y273 HydrophobicContact CE2-CD2 3.66Å; Y75-Y273 AromaticContact CE2-CE2 3.8Å; Y75-Y273 HydrophobicContact CE2-CE2 3.8Å; Y75-Y273 HydrophobicContact CG-CD2 4.28Å; Y75-Y273 AromaticContact CZ-CD2 3.84Å; Y75-Y273 AromaticContact CZ-CE2 3.82Å; D262-Y273 PolarHBondContact OD1-OH 3.46Å; D262-Y273 PolarHBondContact OD2-OH 3.01Å; N264-Y273 HydrophobicContact CB-CE2 4.36Å; F265-Y273 HydrophobicContact CB-CE2 4.02Å; F265-Y273 AromaticContact CD2-CD1 3.98Å; F265-Y273 HydrophobicContact CD2-CD1 3.98Å; F265-Y273 HydrophobicContact CD2-CD2 4.1Å; F265-Y273 AromaticContact CD2-CE1 3.76Å; F265-Y273 HydrophobicContact CD2-CE1 3.76Å; F265-Y273 AromaticContact CD2-CE2 3.85Å; F265-Y273 HydrophobicContact CD2-CE2 3.85Å; F265-Y273 HydrophobicContact CD2-CG 4.14Å; F265-Y273 AromaticContact CD2-CZ 3.68Å; F265-Y273 HydrophobicContact CE2-CD1 4.38Å; F265-Y273 HydrophobicContact CG-CE2 4.4Å; F265-Y273 PolarHBondContact N-OH 2.87Å; Y268-Y273 HydrophobicContact CD2-CD2 4.1Å; Y273-K319 VanDerWaalsContact CB-O 3.25Å; Y273-K319 WeakPolarHBondContact CB-O 3.23Å; Y273-K319 PolarHBondContact N-O 3.3Å; Y273-V320 HydrophobicContact CD1-CG1 4.27Å; Y273-V320 WeakPolarHBondContact O-CA 3.16Å; Y273-L321 PolarHBondContact O-N 3.06Å
274	Q	97.6	Very high	95.7	Very high	51 Å²	51	44.3 Å²	44.3	24%	0.238	23%	0.229	C	C	.	.			trans	-144.4	155.3	169.6	60.8	178.5	-32.2	0	0	109.6	T74 Y75 I272 L321 M327	T74-Q274 WeakPolarHBondContact OG1-CG 3.04Å; T74-Q274 PolarHBondContact OG1-NE2 3.45Å; Y75-Q274 HydrophobicContact CD1-CG 4.49Å; Y75-Q274 HydrophobicContact CE1-CG 4.33Å; Y75-Q274 VanDerWaalsContact CE1-O 3.22Å; Y75-Q274 WeakPolarHBondContact CE1-O 3.49Å; Y75-Q274 PolarHBondContact OH-O 3.21Å; I272-Q274 PolarHBondContact O-N 3.36Å; Q274-L321 HydrophobicContact CB-CB 4.23Å; Q274-L321 HydrophobicContact CB-CD2 4.12Å; Q274-M327 HydrophobicContact CB-CE 3.98Å
275	S	96.9	Very high	95.6	Very high	16 Å²	16	42.8 Å²	42.8	11%	0.112	22%	0.221	C	C	.	.			trans	-146.9	135.9	-179.5	177.2	0	0	0	0	111.6	D262 T277 C278	D262-S275 WeakPolarHBondContact OD2-CB 3.25Å; D262-S275 PolarHBondContact OD2-OG 3.49Å; S275-T277 VanDerWaalsContact C-N 3.29Å; S275-T277 PolarHBondContact OG-N 2.85Å; S275-T277 PolarHBondContact OG-OG1 3.46Å; S275-C278 PolarHBondContact OG-N 2.81Å; S275-C278 VanDerWaalsContact OG-N 3.09Å
276	D	95.7	Very high	95.5	Very high	166 Å²	166	42.9 Å²	42.9	89%	0.888	22%	0.222	S	C	*	.	S	Bend	trans	-85.8	-4.2	170.8	-61.2	-31.8	0	0	0	112.3
277	T	95.6	Very high	95.6	Very high	103 Å²	103	42.9 Å²	42.9	63%	0.632	22%	0.222	S	C	*	.	S	Bend	trans	-113.1	-23.3	-173.3	63.5	0	0	0	0	113.8	D262 S275	D262-T277 PolarHBondContact OD2-OG1 2.5Å; S275-T277 VanDerWaalsContact C-N 3.29Å; S275-T277 PolarHBondContact OG-N 2.85Å; S275-T277 PolarHBondContact OG-OG1 3.46Å
278	C	95.8	Very high	95.6	Very high	19 Å²	19	42.9 Å²	42.9	13%	0.128	22%	0.222	C	C	.	.			trans	-69.6	155.1	174.9	75.8	0	0	0	0	110.8	N260 S275 C328	N260-C278 HydrophobicContact CB-CB 4.33Å; N260-C278 VanDerWaalsContact O-CB 3.27Å; N260-C278 WeakPolarHBondContact O-CB 3.22Å; N260-C278 WeakPolarHBondContact OD1-CA 3.4Å; S275-C278 PolarHBondContact OG-N 2.81Å; S275-C278 VanDerWaalsContact OG-N 3.09Å; C278-C328 HydrophobicContact CB-CB 3.75Å; C278-C328 WeakPolarHBondContact CB-SG 3.22Å; C278-C328 WeakPolarHBondContact SG-CA 3.4Å; C278-C328 WeakPolarHBondContact SG-CB 3.44Å; C278-C328 PolarHBondContact SG-N 2.88Å; C278-C328 VanDerWaalsContact SG-N 3.36Å; C278-C328 CovalentContact SG-SG 2.04Å; C278-C328 PolarHBondContact SG-SG 3.33Å
279	T	94	Very high	95.7	Very high	28 Å²	28	42.7 Å²	42.7	17%	0.172	22%	0.221	C	C	.	.			trans	-121.3	152.1	-179	62.8	0	0	0	0	109.8	N260 Y281 N282 C328	N260-T279 WeakPolarHBondContact CB-O 3.38Å; N260-T279 PolarHBondContact OD1-N 3.37Å; N260-T279 PolarHBondContact OD1-OG1 3.03Å; T279-Y281 HydrophobicContact CG2-CE1 4.12Å; T279-Y281 HydrophobicContact CG2-CE2 4.48Å; T279-Y281 PolarHBondContact O-N 3.46Å; T279-N282 VanDerWaalsContact OG1-CB 3.29Å; T279-N282 WeakPolarHBondContact OG1-CB 3.36Å; T279-N282 PolarHBondContact OG1-N 3.02Å; T279-N282 PolarHBondContact OG1-ND2 3.17Å; T279-C328 CarbonylContact O-C 3.52Å
280	H	91.8	Very high	95.7	Very high	105 Å²	105	36.9 Å²	36.9	49%	0.486	20%	0.196	S	C	.	.	S	Bend	trans	-79.3	0.9	177.8	60.9	-96.2	0	0	0	114	S332	H280-S332 PolarHBondContact O-OG 3.35Å
281	Y	88.4	Confident	95.7	Very high	151 Å²	151	35.2 Å²	35.2	59%	0.592	18%	0.184	S	C	*	.	S	Bend	trans	-126.4	-22.7	-173.2	55.7	-93.8	0	0	0	115.5	T279 L283	T279-Y281 HydrophobicContact CG2-CE1 4.12Å; T279-Y281 HydrophobicContact CG2-CE2 4.48Å; T279-Y281 PolarHBondContact O-N 3.46Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-L283 PolarHBondContact O-N 2.89Å
282	N	90.3	Very high	95.7	Very high	60 Å²	60	34.7 Å²	34.7	32%	0.321	18%	0.177	S	C	.	.			trans	-91.8	61.1	176.4	-64.6	-55.1	0	0	0	112	N260 T279 N284	N260-N282 VanDerWaalsContact CB-O 3.31Å; N260-N282 WeakPolarHBondContact CB-O 3.49Å; N260-N282 VanDerWaalsContact CG-O 3.22Å; N260-N282 PolarHBondContact ND2-O 3.09Å; N260-N282 VanDerWaalsContact ND2-O 3.12Å; T279-N282 VanDerWaalsContact OG1-CB 3.29Å; T279-N282 WeakPolarHBondContact OG1-CB 3.36Å; T279-N282 PolarHBondContact OG1-N 3.02Å; T279-N282 PolarHBondContact OG1-ND2 3.17Å; N282-N284 PolarHBondContact O-N 3.2Å
283	L	92.3	Very high	95.7	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	18%	0.175	C	C	.	.			trans	-67.5	133.8	-175.2	-45.9	-179.3	0	0	0	110.8	E98 Y281 M333	E98-L283 HydrophobicContact CB-CB 4.07Å; E98-L283 HydrophobicContact CG-CB 4.46Å; E98-L283 PolarHBondContact N-O 3.32Å; E98-L283 VanDerWaalsContact N-O 3.13Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-L283 PolarHBondContact O-N 2.89Å; L283-M333 HydrophobicContact CD1-CB 3.84Å; L283-M333 HydrophobicContact CD1-CG 3.6Å; L283-M333 HydrophobicContact CD1-SD 3.68Å
284	N	92	Very high	95.7	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.032	20%	0.198	C	C	.	.			trans	-143.2	-4.8	-174.5	63.3	-10.4	0	0	0	114.4	Y91 Y94 M259 N260 I261 N282	Y91-N284 WeakPolarHBondContact CE2-ND2 2.98Å; Y94-N284 WeakPolarHBondContact CE1-O 3.31Å; Y94-N284 PolarHBondContact OH-O 3.12Å; M259-N284 PolarHBondContact O-N 3.11Å; M259-N284 PolarHBondContact O-OD1 3.35Å; N260-N284 VanDerWaalsContact CA-OD1 3.27Å; N260-N284 WeakPolarHBondContact CA-OD1 3.48Å; N260-N284 PolarHBondContact ND2-OD1 3.35Å; I261-N284 WeakPolarHBondContact CG1-OD1 3.46Å; I261-N284 PolarHBondContact N-OD1 3.37Å; I261-N284 PolarHBondContact O-ND2 3.35Å; N282-N284 PolarHBondContact O-N 3.2Å
285	Q	94.8	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.9	174.6	-177.8	63	-7.3	0	0	110.9	Y94 S148 S258 M259 I261 M287 N306 N307	Y94-Q285 PolarHBondContact OH-OE1 3.13Å; S148-Q285 PolarHBondContact OG-OE1 3.41Å; S258-Q285 CarbonylContact C-O 3.56Å; S258-Q285 WeakPolarHBondContact CA-O 3.44Å; M259-Q285 HydrophobicContact CG-CB 4.26Å; M259-Q285 PolarHBondContact N-O 2.77Å; M259-Q285 PolarHBondContact O-N 2.67Å; I261-Q285 HydrophobicContact CD1-CB 4.11Å; I261-Q285 HydrophobicContact CD1-CG 4.5Å; I261-Q285 HydrophobicContact CG1-CB 4.07Å; I261-Q285 HydrophobicContact CG2-CB 3.65Å; I261-Q285 HydrophobicContact CG2-CG 4.07Å; Q285-M287 HydrophobicContact CG-CG 3.93Å; Q285-M287 HydrophobicContact CG-SD 4.28Å; Q285-N306 PolarHBondContact NE2-OD1 3.43Å; Q285-N306 VanDerWaalsContact NE2-OD1 3.14Å; Q285-N307 PolarHBondContact NE2-OD1 3.17Å
286	S	96.2	Very high	95.4	Very high	2 Å²	2	47 Å²	47	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.7	174.3	-64	0	0	0	0	110.9	T193 I257 S258	T193-S286 PolarHBondContact OG1-OG 3.44Å; I257-S286 CarbonylContact O-C 3.36Å; I257-S286 VanDerWaalsContact O-CA 3.25Å; I257-S286 WeakPolarHBondContact O-CA 3.37Å; S258-S286 PolarHBondContact OG-OG 3.19Å
287	M	97.7	Very high	95.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.6	-174.4	-60.6	-176.2	71.6	0	0	110.8	V256 I257 M259 F265 Q285 L304 Q305 N306 V318	V256-M287 CarbonylContact C-O 3.55Å; V256-M287 WeakPolarHBondContact CA-O 3.49Å; I257-M287 HydrophobicContact CD1-CB 4.1Å; I257-M287 HydrophobicContact CG1-CB 4.5Å; I257-M287 PolarHBondContact N-O 3.37Å; I257-M287 PolarHBondContact O-N 3.39Å; M259-M287 HydrophobicContact CG-SD 4.36Å; M259-M287 HydrophobicContact SD-SD 3.63Å; M259-M287 VanDerWaalsContact SD-SD 3.63Å; F265-M287 HydrophobicContact CE1-SD 4.3Å; F265-M287 HydrophobicContact CZ-CE 4.2Å; F265-M287 HydrophobicContact CZ-SD 3.76Å; Q285-M287 HydrophobicContact CG-CG 3.93Å; Q285-M287 HydrophobicContact CG-SD 4.28Å; M287-L304 HydrophobicContact CB-CB 4.36Å; M287-L304 HydrophobicContact CE-CB 3.74Å; M287-L304 HydrophobicContact CE-CD1 4.49Å; M287-L304 HydrophobicContact SD-CB 4.3Å; M287-L304 HydrophobicContact SD-CD1 4.08Å; M287-Q305 WeakPolarHBondContact CB-O 2.97Å; M287-N306 HydrophobicContact CE-CB 3.42Å; M287-N306 VanDerWaalsContact CE-CB 3.42Å; M287-V318 HydrophobicContact CE-CG1 3.56Å; M287-V318 HydrophobicContact SD-CG1 4.42Å
288	L	98.8	Very high	95	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.5	173.9	-176.2	74.8	0	0	0	110.3	V136 A155 V156 P254 V290 L304 Q305	V136-L288 HydrophobicContact CG1-CD2 4.29Å; A155-L288 HydrophobicContact CB-CB 4.32Å; A155-L288 HydrophobicContact CB-CD2 4.03Å; V156-L288 HydrophobicContact CB-CD1 3.45Å; V156-L288 VanDerWaalsContact CB-CD1 3.45Å; V156-L288 HydrophobicContact CG2-CD1 3.91Å; P254-L288 HydrophobicContact CB-CD1 3.68Å; P254-L288 HydrophobicContact CB-CD2 4.1Å; P254-L288 HydrophobicContact CB-CG 3.94Å; L288-V290 HydrophobicContact CB-CG1 4.45Å; L288-V290 HydrophobicContact CD2-CG1 3.57Å; L288-V290 HydrophobicContact CG-CG1 3.76Å; L288-V290 PolarHBondContact O-N 2.77Å; L288-L304 CarbonylContact O-C 3.54Å; L288-L304 WeakPolarHBondContact O-CA 3.48Å; L288-Q305 HydrophobicContact CB-CB 4.06Å; L288-Q305 VanDerWaalsContact CD2-OE1 3.29Å; L288-Q305 PolarHBondContact N-O 3.13Å; L288-Q305 VanDerWaalsContact N-O 3.14Å; L288-Q305 PolarHBondContact O-N 2.73Å
289	L	98.9	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113.5	169.5	174.1	57.4	0	0	0	110.3	L245 V249 P254 Y255 I257 G291 W302 L304	L245-L289 HydrophobicContact CD1-CD2 4.05Å; L245-L289 HydrophobicContact CD2-CD2 3.61Å; L245-L289 HydrophobicContact CG-CD2 3.71Å; V249-L289 HydrophobicContact CG2-CD2 3.49Å; V249-L289 VanDerWaalsContact CG2-CD2 3.49Å; V249-L289 HydrophobicContact CG2-CG 3.73Å; P254-L289 WeakPolarHBondContact CA-O 3.18Å; P254-L289 WeakPolarHBondContact CB-O 3.37Å; Y255-L289 PolarHBondContact N-O 3.39Å; Y255-L289 VanDerWaalsContact N-O 3.13Å; Y255-L289 WeakPolarHBondContact O-CB 3.32Å; Y255-L289 PolarHBondContact O-N 3.21Å; I257-L289 HydrophobicContact CG1-CB 4.37Å; I257-L289 HydrophobicContact CG2-CB 3.82Å; I257-L289 HydrophobicContact CG2-CD2 3.99Å; L289-G291 WeakPolarHBondContact CD1-O 3.08Å; L289-W302 HydrophobicContact CD1-CB 3.99Å; L289-W302 HydrophobicContact CD1-CD2 4Å; L289-W302 HydrophobicContact CD1-CE3 3.51Å; L289-W302 HydrophobicContact CD1-CG 4.26Å; L289-W302 HydrophobicContact CD1-CZ3 4.29Å; L289-W302 HydrophobicContact CD2-CD2 4.36Å; L289-W302 HydrophobicContact CD2-CE3 3.94Å; L289-W302 HydrophobicContact CD2-CZ3 4.07Å; L289-W302 HydrophobicContact CG-CE3 4.31Å; L289-L304 HydrophobicContact CB-CD2 3.74Å; L289-L304 HydrophobicContact CD1-CD2 3.6Å; L289-L304 HydrophobicContact CG-CD2 4.23Å
290	V	98.8	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-10.8	-173.1	-62.3	0	0	0	0	113.7	W130 R131 V136 L288 T303 Q305 Y317	W130-V290 VanDerWaalsContact CB-O 3.29Å; W130-V290 WeakPolarHBondContact CB-O 3.27Å; W130-V290 PolarHBondContact N-O 3.4Å; R131-V290 HydrophobicContact CG-CB 4.45Å; R131-V290 HydrophobicContact CG-CG2 4.09Å; V136-V290 HydrophobicContact CG1-CG1 3.96Å; V136-V290 HydrophobicContact CG2-CB 4.38Å; V136-V290 HydrophobicContact CG2-CG1 3.99Å; L288-V290 HydrophobicContact CB-CG1 4.45Å; L288-V290 HydrophobicContact CD2-CG1 3.57Å; L288-V290 HydrophobicContact CG-CG1 3.76Å; L288-V290 PolarHBondContact O-N 2.77Å; V290-T303 HydrophobicContact CG2-CG2 3.76Å; V290-T303 VanDerWaalsContact CG2-O 3.3Å; V290-T303 WeakPolarHBondContact CG2-O 3.45Å; V290-T303 PolarHBondContact N-O 2.99Å; V290-Q305 HydrophobicContact CG1-CB 4.34Å; V290-Y317 HydrophobicContact CG2-CD1 4.22Å; V290-Y317 HydrophobicContact CG2-CE1 4.07Å
291	G	98.7	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	-175.5	-177.1	0	0	0	0	0	113.9	Y128 L289 T303	Y128-G291 CarbonylContact O-C 3.6Å; Y128-G291 WeakPolarHBondContact O-CA 3.19Å; L289-G291 WeakPolarHBondContact CD1-O 3.08Å; G291-T303 PolarHBondContact N-O 3.23Å; G291-T303 PolarHBondContact O-N 3.36Å
292	Y	98.8	Very high	96.1	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	159.8	178.4	53.8	-97	0	0	0	110.3	P125 S127 Y128 K246 V249 Y250 Y301 W302	P125-Y292 WeakPolarHBondContact O-CE2 3.37Å; P125-Y292 PolarHBondContact O-OH 2.66Å; S127-Y292 WeakPolarHBondContact CA-O 3.3Å; Y128-Y292 PolarHBondContact N-O 2.87Å; Y128-Y292 PolarHBondContact O-N 3.29Å; Y128-Y292 VanDerWaalsContact O-O 3.1Å; K246-Y292 HydrophobicContact CD-CD2 4.33Å; K246-Y292 HydrophobicContact CD-CE2 4.12Å; K246-Y292 VanDerWaalsContact CE-CZ 3.5Å; K246-Y292 HydrophobicContact CG-CD1 3.81Å; K246-Y292 HydrophobicContact CG-CD2 4.12Å; K246-Y292 HydrophobicContact CG-CE1 3.54Å; K246-Y292 HydrophobicContact CG-CE2 3.92Å; K246-Y292 HydrophobicContact CG-CG 4.07Å; K246-Y292 WeakPolarHBondContact O-CE1 3.37Å; V249-Y292 HydrophobicContact CG1-CD1 4.31Å; V249-Y292 HydrophobicContact CG1-CE1 4.36Å; Y250-Y292 WeakPolarHBondContact CB-OH 2.96Å; Y292-Y301 CarbonylContact C-O 3.03Å; Y292-Y301 WeakPolarHBondContact CA-O 3.4Å; Y292-Y301 WeakPolarHBondContact CB-O 3.37Å; Y292-W302 HydrophobicContact CD1-CE3 4.46Å; Y292-W302 AromaticContact CD1-CZ3 3.87Å; Y292-W302 HydrophobicContact CD1-CZ3 3.87Å; Y292-W302 HydrophobicContact CG-CZ3 4.19Å
293	G	98.5	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	-158	172.6	0	0	0	0	0	111.9	S127 D300 Y301 R322	S127-G293 VanDerWaalsContact OG-CA 3.24Å; S127-G293 WeakPolarHBondContact OG-CA 3.35Å; G293-D300 WeakPolarHBondContact O-CA 3.08Å; G293-Y301 PolarHBondContact N-O 3.33Å; G293-Y301 PolarHBondContact O-N 2.82Å; G293-R322 PolarHBondContact O-NH2 2.8Å
294	Y	97.7	Very high	96.8	Very high	123 Å²	123	32.7 Å²	32.7	48%	0.482	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.9	174.3	58.7	-85.6	0	0	0	109.9	D126 S127 N299 Y301	D126-Y294 HydrophobicContact CB-CD1 4.15Å; D126-Y294 HydrophobicContact CB-CE1 3.69Å; S127-Y294 WeakPolarHBondContact OG-CD1 3.46Å; S127-Y294 WeakPolarHBondContact OG-CE1 3.23Å; Y294-N299 CarbonylContact C-O 3.19Å; Y294-N299 WeakPolarHBondContact CA-O 3.44Å; Y294-Y301 VanDerWaalsContact C-CE1 3.43Å; Y294-Y301 WeakPolarHBondContact O-CE1 3.18Å
295	D	95.4	Very high	97.1	Very high	39 Å²	39	33 Å²	33	21%	0.209	18%	0.177	C	C	.	.			trans	-89.3	-179.6	171.9	70.4	10	0	0	0	112.5	I272 D297 G298 N299	I272-D295 HydrophobicContact CD1-CB 3.94Å; I272-D295 VanDerWaalsContact CD1-OD2 3.27Å; I272-D295 WeakPolarHBondContact CD1-OD2 3.43Å; D295-D297 PolarHBondContact O-N 3.11Å; D295-D297 WeakPolarHBondContact OD1-CA 3.48Å; D295-D297 PolarHBondContact OD1-N 3.02Å; D295-G298 PolarHBondContact O-N 2.84Å; D295-G298 VanDerWaalsContact O-N 3.08Å; D295-G298 PolarHBondContact OD1-N 3.25Å; D295-N299 PolarHBondContact N-O 3.44Å; D295-N299 WeakPolarHBondContact OD1-CB 3.32Å; D295-N299 PolarHBondContact OD1-N 3.19Å; D295-N299 PolarHBondContact OD1-ND2 3.04Å; D295-N299 PolarHBondContact OD2-ND2 3.43Å
296	N	92.8	Very high	97.3	Very high	172 Å²	172	33.1 Å²	33.1	92%	0.92	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.5	-179.8	-65.9	-28.1	0	0	0	113.6	G298	N296-G298 VanDerWaalsContact C-N 3.33Å
297	D	91	Very high	97.3	Very high	142 Å²	142	33.5 Å²	33.5	76%	0.759	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-0.4	178.4	-61.1	-43.1	0	0	0	111.6	D295	D295-D297 PolarHBondContact O-N 3.11Å; D295-D297 WeakPolarHBondContact OD1-CA 3.48Å; D295-D297 PolarHBondContact OD1-N 3.02Å
298	G	93.3	Very high	97.2	Very high	52 Å²	52	33.5 Å²	33.5	54%	0.536	18%	0.18	S	C	.	.			trans	84.3	12.3	179.6	0	0	0	0	0	114.1	D295 N296 D300	D295-G298 PolarHBondContact O-N 2.84Å; D295-G298 VanDerWaalsContact O-N 3.08Å; D295-G298 PolarHBondContact OD1-N 3.25Å; N296-G298 VanDerWaalsContact C-N 3.33Å; G298-D300 PolarHBondContact O-N 2.81Å
299	N	96.2	Very high	97.1	Very high	54 Å²	54	33.8 Å²	33.8	29%	0.289	18%	0.183	S	C	.	.			trans	-76.6	116.9	176	-57.5	-62.3	0	0	0	110	I272 Y294 D295 L321	I272-N299 HydrophobicContact CD1-CB 3.7Å; Y294-N299 CarbonylContact C-O 3.19Å; Y294-N299 WeakPolarHBondContact CA-O 3.44Å; D295-N299 PolarHBondContact N-O 3.44Å; D295-N299 WeakPolarHBondContact OD1-CB 3.32Å; D295-N299 PolarHBondContact OD1-N 3.19Å; D295-N299 PolarHBondContact OD1-ND2 3.04Å; D295-N299 PolarHBondContact OD2-ND2 3.43Å; N299-L321 HydrophobicContact CB-CD1 4.24Å
300	D	98.3	Very high	97	Very high	47 Å²	47	37.5 Å²	37.5	25%	0.251	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.9	173.3	-85.1	-26.2	0	0	0	111.2	G293 G298 R322 N323	G293-D300 WeakPolarHBondContact O-CA 3.08Å; G298-D300 PolarHBondContact O-N 2.81Å; D300-R322 HydrophobicContact CB-CB 4.08Å; D300-R322 HydrophobicContact CB-CG 4.4Å; D300-R322 WeakPolarHBondContact CB-O 3.29Å; D300-R322 VanDerWaalsContact CG-CZ 3.41Å; D300-R322 PolarHBondContact O-N 3.18Å; D300-R322 IonicContact OD1-CZ 3.3Å; D300-R322 IonicContact OD1-NH1 2.92Å; D300-R322 IonicContact OD1-NH2 3.27Å; D300-R322 PolarHBondContact OD1-NH2 2.81Å; D300-R322 IonicContact OD2-CZ 3.15Å; D300-R322 IonicContact OD2-NH1 2.99Å; D300-R322 PolarHBondContact OD2-NH1 3.06Å; D300-R322 IonicContact OD2-NH2 2.86Å; D300-N323 HydrophobicContact CB-CB 4.42Å; D300-N323 PolarHBondContact OD2-ND2 2.86Å
301	Y	98.8	Very high	96.9	Very high	38 Å²	38	43.4 Å²	43.4	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.9	173.8	63.9	-102.4	0	0	0	113.6	I272 Y292 G293 Y294 T303 K319 V320 R322	I272-Y301 HydrophobicContact CD1-CD1 3.7Å; I272-Y301 HydrophobicContact CD1-CG 4.33Å; I272-Y301 HydrophobicContact CG1-CD1 4.08Å; I272-Y301 HydrophobicContact CG1-CG 4.42Å; Y292-Y301 CarbonylContact C-O 3.03Å; Y292-Y301 WeakPolarHBondContact CA-O 3.4Å; Y292-Y301 WeakPolarHBondContact CB-O 3.37Å; G293-Y301 PolarHBondContact N-O 3.33Å; G293-Y301 PolarHBondContact O-N 2.82Å; Y294-Y301 VanDerWaalsContact C-CE1 3.43Å; Y294-Y301 WeakPolarHBondContact O-CE1 3.18Å; Y301-T303 WeakPolarHBondContact CE2-OG1 3.35Å; Y301-K319 HydrophobicContact CD1-CD 4.35Å; Y301-K319 HydrophobicContact CD2-CB 4.06Å; Y301-K319 HydrophobicContact CD2-CD 4.07Å; Y301-K319 HydrophobicContact CD2-CG 3.86Å; Y301-K319 HydrophobicContact CE1-CD 4.21Å; Y301-K319 HydrophobicContact CE2-CD 3.98Å; Y301-K319 HydrophobicContact CE2-CG 4.07Å; Y301-K319 HydrophobicContact CG-CB 4.12Å; Y301-K319 HydrophobicContact CG-CD 4.26Å; Y301-K319 HydrophobicContact CG-CG 4.29Å; Y301-V320 CarbonylContact C-O 3.57Å; Y301-V320 WeakPolarHBondContact CA-O 3.15Å; Y301-V320 WeakPolarHBondContact CB-O 3.31Å; Y301-R322 PolarHBondContact O-NE 3.08Å; Y301-R322 VanDerWaalsContact O-NE 3.14Å
302	W	98.8	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	149	159.8	-66.7	114.5	0	0	0	109.9	E242 L245 K246 L289 Y292 L304 K319 V320 R322 I330	E242-W302 HydrophobicContact CB-CZ2 4.02Å; E242-W302 HydrophobicContact CG-CZ2 4.41Å; E242-W302 PolarHBondContact OE1-NE1 3.14Å; L245-W302 HydrophobicContact CB-CH2 4.27Å; L245-W302 HydrophobicContact CB-CZ2 4.47Å; L245-W302 HydrophobicContact CD2-CZ2 4.36Å; L245-W302 HydrophobicContact CG-CH2 4.22Å; L245-W302 HydrophobicContact CG-CZ2 4.49Å; K246-W302 HydrophobicContact CB-CH2 3.74Å; K246-W302 HydrophobicContact CB-CZ3 4.29Å; K246-W302 HydrophobicContact CG-CH2 4.47Å; L289-W302 HydrophobicContact CD1-CB 3.99Å; L289-W302 HydrophobicContact CD1-CD2 4Å; L289-W302 HydrophobicContact CD1-CE3 3.51Å; L289-W302 HydrophobicContact CD1-CG 4.26Å; L289-W302 HydrophobicContact CD1-CZ3 4.29Å; L289-W302 HydrophobicContact CD2-CD2 4.36Å; L289-W302 HydrophobicContact CD2-CE3 3.94Å; L289-W302 HydrophobicContact CD2-CZ3 4.07Å; L289-W302 HydrophobicContact CG-CE3 4.31Å; Y292-W302 HydrophobicContact CD1-CE3 4.46Å; Y292-W302 AromaticContact CD1-CZ3 3.87Å; Y292-W302 HydrophobicContact CD1-CZ3 3.87Å; Y292-W302 HydrophobicContact CG-CZ3 4.19Å; W302-L304 HydrophobicContact CB-CD2 4.45Å; W302-K319 CarbonylContact O-C 3.57Å; W302-K319 WeakPolarHBondContact O-CA 3.38Å; W302-V320 PolarHBondContact N-O 2.72Å; W302-V320 PolarHBondContact O-N 3.36Å; W302-R322 HydrophobicContact CD2-CB 4.28Å; W302-R322 VanDerWaalsContact CD2-CD 3.48Å; W302-R322 HydrophobicContact CD2-CG 4.03Å; W302-R322 VanDerWaalsContact CE2-CG 3.48Å; W302-R322 HydrophobicContact CG-CB 4.03Å; W302-R322 HydrophobicContact CG-CG 4.3Å; W302-R322 HydrophobicContact CZ2-CG 3.78Å; W302-I330 HydrophobicContact CB-CD1 4.44Å; W302-I330 HydrophobicContact CD2-CG2 4.46Å; W302-I330 HydrophobicContact CG-CD1 4.32Å; W302-I330 HydrophobicContact CG-CG2 4.11Å
303	T	98.8	Very high	96.8	Very high	4 Å²	4	44 Å²	44	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.9	168.2	-59.5	0	0	0	0	109.2	V290 G291 Y301 Y317	V290-T303 HydrophobicContact CG2-CG2 3.76Å; V290-T303 VanDerWaalsContact CG2-O 3.3Å; V290-T303 WeakPolarHBondContact CG2-O 3.45Å; V290-T303 PolarHBondContact N-O 2.99Å; G291-T303 PolarHBondContact N-O 3.23Å; G291-T303 PolarHBondContact O-N 3.36Å; Y301-T303 WeakPolarHBondContact CE2-OG1 3.35Å; T303-Y317 HydrophobicContact CG2-CD1 4.31Å
304	L	98.9	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.3	-177.6	-51.5	172.7	0	0	0	110.2	I257 M259 M287 L288 L289 W302 Y317 V318 V320 I330	I257-L304 HydrophobicContact CD1-CD1 4.16Å; I257-L304 HydrophobicContact CD1-CD2 4.2Å; I257-L304 HydrophobicContact CG1-CD2 3.79Å; M259-L304 HydrophobicContact SD-CD1 4.14Å; M287-L304 HydrophobicContact CB-CB 4.36Å; M287-L304 HydrophobicContact CE-CB 3.74Å; M287-L304 HydrophobicContact CE-CD1 4.49Å; M287-L304 HydrophobicContact SD-CB 4.3Å; M287-L304 HydrophobicContact SD-CD1 4.08Å; L288-L304 CarbonylContact O-C 3.54Å; L288-L304 WeakPolarHBondContact O-CA 3.48Å; L289-L304 HydrophobicContact CB-CD2 3.74Å; L289-L304 HydrophobicContact CD1-CD2 3.6Å; L289-L304 HydrophobicContact CG-CD2 4.23Å; W302-L304 HydrophobicContact CB-CD2 4.45Å; L304-Y317 CarbonylContact O-C 3.57Å; L304-Y317 WeakPolarHBondContact O-CA 3.32Å; L304-V318 HydrophobicContact CB-CG1 3.81Å; L304-V318 HydrophobicContact CD1-CG1 4.25Å; L304-V318 HydrophobicContact CG-CG1 4.45Å; L304-V318 PolarHBondContact N-O 3.44Å; L304-V318 PolarHBondContact O-N 2.97Å; L304-V320 HydrophobicContact CD1-CB 4.5Å; L304-V320 HydrophobicContact CD1-CG2 3.72Å; L304-I330 HydrophobicContact CD1-CD1 4.13Å; L304-I330 HydrophobicContact CD1-CG1 4.47Å
305	Q	98.8	Very high	96.8	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.6	168.1	-169.7	179.2	20.3	0	0	109.8	N137 E138 P139 M287 L288 V290 Y317	N137-Q305 PolarHBondContact O-NE2 2.91Å; E138-Q305 VanDerWaalsContact C-NE2 3.32Å; P139-Q305 VanDerWaalsContact CA-NE2 3.31Å; P139-Q305 HydrophobicContact CB-CG 4.33Å; P139-Q305 HydrophobicContact CG-CG 4.03Å; M287-Q305 WeakPolarHBondContact CB-O 2.97Å; L288-Q305 HydrophobicContact CB-CB 4.06Å; L288-Q305 VanDerWaalsContact CD2-OE1 3.29Å; L288-Q305 PolarHBondContact N-O 3.13Å; L288-Q305 VanDerWaalsContact N-O 3.14Å; L288-Q305 PolarHBondContact O-N 2.73Å; V290-Q305 HydrophobicContact CG1-CB 4.34Å; Q305-Y317 HydrophobicContact CB-CD1 3.8Å; Q305-Y317 HydrophobicContact CB-CE1 3.46Å; Q305-Y317 VanDerWaalsContact CB-CE1 3.46Å; Q305-Y317 HydrophobicContact CG-CD1 4.15Å; Q305-Y317 HydrophobicContact CG-CE1 3.57Å; Q305-Y317 PolarHBondContact NE2-OH 3.38Å
306	N	97.8	Very high	97	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.254	C	S	.	.			trans	-97.2	169.9	173.1	-150	-8.9	0	0	0	111.5	Q285 M287 W308 W312 G316	Q285-N306 PolarHBondContact NE2-OD1 3.43Å; Q285-N306 VanDerWaalsContact NE2-OD1 3.14Å; M287-N306 HydrophobicContact CE-CB 3.42Å; M287-N306 VanDerWaalsContact CE-CB 3.42Å; N306-W308 WeakPolarHBondContact ND2-CZ3 3.44Å; N306-W312 HydrophobicContact CB-CE3 3.8Å; N306-W312 HydrophobicContact CB-CH2 4.21Å; N306-W312 HydrophobicContact CB-CZ3 3.5Å; N306-W312 VanDerWaalsContact CB-CZ3 3.5Å; N306-W312 WeakPolarHBondContact ND2-CH2 3.31Å; N306-W312 VanDerWaalsContact ND2-CZ3 3.26Å; N306-W312 WeakPolarHBondContact ND2-CZ3 3.28Å; N306-G316 PolarHBondContact N-O 3.31Å
307	N	96.7	Very high	97.3	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.048	21%	0.213	C	C	.	.	S	Bend	trans	-115.7	33.1	178.4	61.2	-70.1	0	0	0	112.1	R140 D141 E142 F151 Q285	R140-N307 CarbonylContact O-C 3.48Å; R140-N307 VanDerWaalsContact O-CA 3.27Å; R140-N307 WeakPolarHBondContact O-CA 3.44Å; D141-N307 WeakPolarHBondContact CA-O 3.49Å; E142-N307 PolarHBondContact N-O 3.26Å; E142-N307 PolarHBondContact OE2-ND2 2.83Å; F151-N307 HydrophobicContact CB-CB 3.62Å; F151-N307 HydrophobicContact CD1-CB 4.01Å; F151-N307 HydrophobicContact CG-CB 3.84Å; Q285-N307 PolarHBondContact NE2-OD1 3.17Å
308	W	96.3	Very high	97.6	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-108.9	24.4	-179.8	-69	-11.1	0	0	0	112.6	Q81 F82 F90 R140 E142 I261 F265 L266 N306 W312	Q81-W308 PolarHBondContact NE2-O 2.92Å; F82-W308 HydrophobicContact CD2-CE3 4.34Å; F82-W308 HydrophobicContact CE2-CB 4.34Å; F82-W308 AromaticContact CE2-CD2 3.45Å; F82-W308 HydrophobicContact CE2-CD2 3.45Å; F82-W308 VanDerWaalsContact CE2-CD2 3.45Å; F82-W308 AromaticContact CE2-CE2 3.94Å; F82-W308 AromaticContact CE2-CE3 3.46Å; F82-W308 HydrophobicContact CE2-CE3 3.46Å; F82-W308 VanDerWaalsContact CE2-CE3 3.46Å; F82-W308 AromaticContact CE2-CG 3.85Å; F82-W308 HydrophobicContact CE2-CG 3.85Å; F82-W308 HydrophobicContact CE2-CH2 4.44Å; F82-W308 HydrophobicContact CE2-CZ2 4.42Å; F82-W308 AromaticContact CE2-CZ3 3.98Å; F82-W308 HydrophobicContact CE2-CZ3 3.98Å; F82-W308 HydrophobicContact CZ-CB 4.45Å; F82-W308 AromaticContact CZ-CD1 3.9Å; F82-W308 AromaticContact CZ-CD2 3.68Å; F82-W308 HydrophobicContact CZ-CD2 3.68Å; F82-W308 AromaticContact CZ-CE2 3.83Å; F82-W308 HydrophobicContact CZ-CE3 4.17Å; F82-W308 AromaticContact CZ-CG 3.79Å; F82-W308 HydrophobicContact CZ-CG 3.79Å; F82-W308 HydrophobicContact CZ-CZ2 4.46Å; F82-W308 AromaticContact CZ-NE1 3.91Å; F90-W308 HydrophobicContact CZ-CH2 4.28Å; F90-W308 AromaticContact CZ-CZ2 3.84Å; F90-W308 HydrophobicContact CZ-CZ2 3.84Å; R140-W308 PolarHBondContact O-N 3.23Å; E142-W308 VanDerWaalsContact OE1-CD1 3.25Å; E142-W308 PolarHBondContact OE1-NE1 3.09Å; I261-W308 HydrophobicContact CD1-CH2 3.79Å; I261-W308 HydrophobicContact CD1-CZ2 4.1Å; F265-W308 AromaticContact CD1-CH2 3.81Å; F265-W308 HydrophobicContact CD1-CH2 3.81Å; F265-W308 AromaticContact CD1-CZ3 3.74Å; F265-W308 HydrophobicContact CD1-CZ3 3.74Å; F265-W308 HydrophobicContact CE1-CH2 4.01Å; F265-W308 AromaticContact CE1-CZ3 3.86Å; F265-W308 HydrophobicContact CE1-CZ3 3.86Å; L266-W308 HydrophobicContact CD2-CH2 3.8Å; L266-W308 HydrophobicContact CD2-CZ3 4.27Å; N306-W308 WeakPolarHBondContact ND2-CZ3 3.44Å; W308-W312 HydrophobicContact CB-CB 4.05Å; W308-W312 HydrophobicContact CB-CD2 4.44Å; W308-W312 HydrophobicContact CB-CG 4.11Å; W308-W312 AromaticContact CE3-CD1 3.71Å; W308-W312 AromaticContact CE3-CD2 3.78Å; W308-W312 HydrophobicContact CE3-CD2 3.78Å; W308-W312 AromaticContact CE3-CE2 3.4Å; W308-W312 VanDerWaalsContact CE3-CE2 3.4Å; W308-W312 AromaticContact CE3-CG 3.97Å; W308-W312 HydrophobicContact CE3-CG 3.97Å; W308-W312 AromaticContact CE3-CZ2 3.82Å; W308-W312 HydrophobicContact CE3-CZ2 3.82Å; W308-W312 AromaticContact CE3-NE1 3.38Å; W308-W312 HydrophobicContact CZ3-CD2 4.48Å; W308-W312 AromaticContact CZ3-CE2 3.66Å; W308-W312 AromaticContact CZ3-CZ2 3.72Å; W308-W312 HydrophobicContact CZ3-CZ2 3.72Å; W308-W312 AromaticContact CZ3-NE1 3.6Å
309	G	96.5	Very high	97.9	Very high	8 Å²	8	32.3 Å²	32.3	8%	0.082	16%	0.162	C	C	.	.			trans	70.7	170.3	-178.8	0	0	0	0	0	114.2	R140 K311 W312 G316	R140-G309 WeakPolarHBondContact O-CA 3.34Å; R140-G309 PolarHBondContact O-N 3.14Å; G309-K311 VanDerWaalsContact C-N 3.26Å; G309-K311 PolarHBondContact O-N 3.33Å; G309-W312 PolarHBondContact O-N 3.48Å; G309-G316 WeakPolarHBondContact O-CA 3.27Å
310	T	97.2	Very high	98	Very high	78 Å²	78	29.8 Å²	29.8	48%	0.479	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.2	-175.1	55.3	0	0	0	0	114.1	P139 W312 Q315	P139-T310 HydrophobicContact CB-CG2 4.29Å; P139-T310 HydrophobicContact CG-CG2 4.34Å; T310-W312 VanDerWaalsContact C-N 3.34Å; T310-Q315 WeakPolarHBondContact O-CA 3.34Å
311	K	96.1	Very high	98	Very high	124 Å²	124	28.1 Å²	28.1	54%	0.539	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-20	176	-67	175	-175.7	163.3	0	112.6	V36 Y37 G309	V36-K311 HydrophobicContact CG1-CD 4.17Å; V36-K311 PolarHBondContact O-NZ 2.68Å; Y37-K311 HydrophobicContact CD1-CD 4.33Å; Y37-K311 HydrophobicContact CE1-CB 3.88Å; Y37-K311 HydrophobicContact CE1-CD 4.08Å; G309-K311 VanDerWaalsContact C-N 3.26Å; G309-K311 PolarHBondContact O-N 3.33Å
312	W	97.7	Very high	98	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.011	13%	0.134	C	C	.	.	S	Bend	trans	-88.7	144.4	176.4	-179	91.9	0	0	0	110.8	F265 L266 Y268 N306 W308 G309 T310 G316 V318	F265-W312 HydrophobicContact CD1-CH2 4.45Å; F265-W312 AromaticContact CD1-CZ2 3.92Å; F265-W312 HydrophobicContact CD1-CZ2 3.92Å; F265-W312 AromaticContact CE1-CH2 3.71Å; F265-W312 HydrophobicContact CE1-CH2 3.71Å; F265-W312 AromaticContact CE1-CZ2 3.6Å; F265-W312 HydrophobicContact CE1-CZ2 3.6Å; F265-W312 AromaticContact CZ-CH2 3.8Å; F265-W312 HydrophobicContact CZ-CH2 3.8Å; F265-W312 HydrophobicContact CZ-CZ2 4.09Å; F265-W312 WeakPolarHBondContact O-CZ2 3.48Å; F265-W312 PolarHBondContact O-NE1 2.97Å; L266-W312 PolarHBondContact O-NE1 3.19Å; Y268-W312 AromaticContact CD1-CH2 3.96Å; Y268-W312 HydrophobicContact CD1-CH2 3.96Å; Y268-W312 HydrophobicContact CD1-CZ2 4.16Å; Y268-W312 HydrophobicContact CD1-CZ3 4.31Å; Y268-W312 HydrophobicContact CG-CH2 4.5Å; Y268-W312 HydrophobicContact CG-CZ2 4.41Å; N306-W312 HydrophobicContact CB-CE3 3.8Å; N306-W312 HydrophobicContact CB-CH2 4.21Å; N306-W312 HydrophobicContact CB-CZ3 3.5Å; N306-W312 VanDerWaalsContact CB-CZ3 3.5Å; N306-W312 WeakPolarHBondContact ND2-CH2 3.31Å; N306-W312 VanDerWaalsContact ND2-CZ3 3.26Å; N306-W312 WeakPolarHBondContact ND2-CZ3 3.28Å; W308-W312 HydrophobicContact CB-CB 4.05Å; W308-W312 HydrophobicContact CB-CD2 4.44Å; W308-W312 HydrophobicContact CB-CG 4.11Å; W308-W312 AromaticContact CE3-CD1 3.71Å; W308-W312 AromaticContact CE3-CD2 3.78Å; W308-W312 HydrophobicContact CE3-CD2 3.78Å; W308-W312 AromaticContact CE3-CE2 3.4Å; W308-W312 VanDerWaalsContact CE3-CE2 3.4Å; W308-W312 AromaticContact CE3-CG 3.97Å; W308-W312 HydrophobicContact CE3-CG 3.97Å; W308-W312 AromaticContact CE3-CZ2 3.82Å; W308-W312 HydrophobicContact CE3-CZ2 3.82Å; W308-W312 AromaticContact CE3-NE1 3.38Å; W308-W312 HydrophobicContact CZ3-CD2 4.48Å; W308-W312 AromaticContact CZ3-CE2 3.66Å; W308-W312 AromaticContact CZ3-CZ2 3.72Å; W308-W312 HydrophobicContact CZ3-CZ2 3.72Å; W308-W312 AromaticContact CZ3-NE1 3.6Å; G309-W312 PolarHBondContact O-N 3.48Å; T310-W312 VanDerWaalsContact C-N 3.34Å; W312-G316 VanDerWaalsContact O-CA 3.25Å; W312-G316 WeakPolarHBondContact O-CA 3.38Å; W312-G316 PolarHBondContact O-N 3.22Å; W312-V318 HydrophobicContact CH2-CB 3.75Å; W312-V318 HydrophobicContact CH2-CG1 3.99Å; W312-V318 HydrophobicContact CH2-CG2 4.41Å; W312-V318 HydrophobicContact CZ3-CB 4.02Å; W312-V318 HydrophobicContact CZ3-CG1 4.3Å
313	G	98.3	Very high	97.9	Very high	16 Å²	16	30.6 Å²	30.6	17%	0.165	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-150.3	176.5	0	0	0	0	0	114.9	Y268 K269 Q315	Y268-G313 WeakPolarHBondContact O-CA 3.23Å; Y268-G313 PolarHBondContact O-N 2.95Å; K269-G313 CarbonylContact O-C 3.53Å; G313-Q315 PolarHBondContact O-N 3.44Å; G313-Q315 VanDerWaalsContact O-N 3.13Å
314	E	98.4	Very high	97.7	Very high	61 Å²	61	34.4 Å²	34.4	29%	0.285	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-85.6	78.3	176.3	-65.5	-178.7	116.5	0	0	109.1	Y268 K269 G316 Y317 K319	Y268-E314 HydrophobicContact CE1-CG 4.26Å; Y268-E314 PolarHBondContact OH-OE2 2.91Å; K269-E314 WeakPolarHBondContact O-CG 3.42Å; K269-E314 PolarHBondContact O-N 3.27Å; E314-G316 VanDerWaalsContact C-N 3.35Å; E314-G316 PolarHBondContact O-N 3.21Å; E314-Y317 PolarHBondContact N-O 2.97Å; E314-Y317 WeakPolarHBondContact O-CB 3.28Å; E314-Y317 PolarHBondContact O-N 3.39Å; E314-K319 IonicContact OE1-NZ 2.6Å; E314-K319 WeakPolarHBondContact OE2-CE 3.18Å
315	Q	97.7	Very high	97.6	Very high	154 Å²	154	45.3 Å²	45.3	72%	0.72	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	42.2	-176.4	-57.2	179.5	-6.1	0	0	113.1	P139 T310 G313 Y317	P139-Q315 WeakPolarHBondContact CG-O 3.49Å; T310-Q315 WeakPolarHBondContact O-CA 3.34Å; G313-Q315 PolarHBondContact O-N 3.44Å; G313-Q315 VanDerWaalsContact O-N 3.13Å; Q315-Y317 WeakPolarHBondContact O-CD2 3.39Å
316	G	98.3	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	5	-177.2	0	0	0	0	0	114.6	N306 G309 W312 E314	N306-G316 PolarHBondContact N-O 3.31Å; G309-G316 WeakPolarHBondContact O-CA 3.27Å; W312-G316 VanDerWaalsContact O-CA 3.25Å; W312-G316 WeakPolarHBondContact O-CA 3.38Å; W312-G316 PolarHBondContact O-N 3.22Å; E314-G316 VanDerWaalsContact C-N 3.35Å; E314-G316 PolarHBondContact O-N 3.21Å
317	Y	98.8	Very high	97.5	Very high	17 Å²	17	46 Å²	46	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	159.5	176.3	-61.8	-91.6	0	0	0	112.1	R131 P139 Y268 V290 T303 L304 Q305 E314 Q315	R131-Y317 VanDerWaalsContact CD-CZ 3.47Å; R131-Y317 HydrophobicContact CG-CE1 4.12Å; P139-Y317 HydrophobicContact CG-CD2 4.24Å; P139-Y317 HydrophobicContact CG-CE2 3.63Å; Y268-Y317 WeakPolarHBondContact CE1-O 3.38Å; V290-Y317 HydrophobicContact CG2-CD1 4.22Å; V290-Y317 HydrophobicContact CG2-CE1 4.07Å; T303-Y317 HydrophobicContact CG2-CD1 4.31Å; L304-Y317 CarbonylContact O-C 3.57Å; L304-Y317 WeakPolarHBondContact O-CA 3.32Å; Q305-Y317 HydrophobicContact CB-CD1 3.8Å; Q305-Y317 HydrophobicContact CB-CE1 3.46Å; Q305-Y317 VanDerWaalsContact CB-CE1 3.46Å; Q305-Y317 HydrophobicContact CG-CD1 4.15Å; Q305-Y317 HydrophobicContact CG-CE1 3.57Å; Q305-Y317 PolarHBondContact NE2-OH 3.38Å; E314-Y317 PolarHBondContact N-O 2.97Å; E314-Y317 WeakPolarHBondContact O-CB 3.28Å; E314-Y317 PolarHBondContact O-N 3.39Å; Q315-Y317 WeakPolarHBondContact O-CD2 3.39Å
318	V	98.8	Very high	97.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142	171.9	58.3	0	0	0	0	109.9	F265 Y268 M287 L304 W312 V320	F265-V318 HydrophobicContact CE2-CG1 4.27Å; F265-V318 HydrophobicContact CE2-CG2 4.12Å; F265-V318 HydrophobicContact CZ-CG1 3.99Å; Y268-V318 HydrophobicContact CD1-CB 3.8Å; Y268-V318 HydrophobicContact CD1-CG2 3.68Å; Y268-V318 HydrophobicContact CD2-CG2 3.85Å; Y268-V318 HydrophobicContact CE1-CB 3.66Å; Y268-V318 HydrophobicContact CE1-CG2 3.64Å; Y268-V318 HydrophobicContact CE2-CG2 3.76Å; Y268-V318 HydrophobicContact CG-CB 4.39Å; Y268-V318 HydrophobicContact CG-CG2 3.79Å; M287-V318 HydrophobicContact CE-CG1 3.56Å; M287-V318 HydrophobicContact SD-CG1 4.42Å; L304-V318 HydrophobicContact CB-CG1 3.81Å; L304-V318 HydrophobicContact CD1-CG1 4.25Å; L304-V318 HydrophobicContact CG-CG1 4.45Å; L304-V318 PolarHBondContact N-O 3.44Å; L304-V318 PolarHBondContact O-N 2.97Å; W312-V318 HydrophobicContact CH2-CB 3.75Å; W312-V318 HydrophobicContact CH2-CG1 3.99Å; W312-V318 HydrophobicContact CH2-CG2 4.41Å; W312-V318 HydrophobicContact CZ3-CB 4.02Å; W312-V318 HydrophobicContact CZ3-CG1 4.3Å; V318-V320 HydrophobicContact CG1-CG2 4.2Å; V318-V320 HydrophobicContact CG2-CG2 3.92Å
319	K	98.8	Very high	97.5	Very high	50 Å²	50	45.7 Å²	45.7	22%	0.217	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.9	164.8	-61.5	171.6	-170.3	169.9	0	108.4	Y268 I272 Y273 Y301 W302 E314	Y268-K319 PolarHBondContact OH-N 2.86Å; I272-K319 HydrophobicContact CG1-CB 4.38Å; Y273-K319 VanDerWaalsContact CB-O 3.25Å; Y273-K319 WeakPolarHBondContact CB-O 3.23Å; Y273-K319 PolarHBondContact N-O 3.3Å; Y301-K319 HydrophobicContact CD1-CD 4.35Å; Y301-K319 HydrophobicContact CD2-CB 4.06Å; Y301-K319 HydrophobicContact CD2-CD 4.07Å; Y301-K319 HydrophobicContact CD2-CG 3.86Å; Y301-K319 HydrophobicContact CE1-CD 4.21Å; Y301-K319 HydrophobicContact CE2-CD 3.98Å; Y301-K319 HydrophobicContact CE2-CG 4.07Å; Y301-K319 HydrophobicContact CG-CB 4.12Å; Y301-K319 HydrophobicContact CG-CD 4.26Å; Y301-K319 HydrophobicContact CG-CG 4.29Å; W302-K319 CarbonylContact O-C 3.57Å; W302-K319 WeakPolarHBondContact O-CA 3.38Å; E314-K319 IonicContact OE1-NZ 2.6Å; E314-K319 WeakPolarHBondContact OE2-CE 3.18Å
320	V	98.7	Very high	97.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.3	177.1	-174.3	0	0	0	0	109.1	Y273 Y301 W302 L304 V318 R322 M327 I330	Y273-V320 HydrophobicContact CD1-CG1 4.27Å; Y273-V320 WeakPolarHBondContact O-CA 3.16Å; Y301-V320 CarbonylContact C-O 3.57Å; Y301-V320 WeakPolarHBondContact CA-O 3.15Å; Y301-V320 WeakPolarHBondContact CB-O 3.31Å; W302-V320 PolarHBondContact N-O 2.72Å; W302-V320 PolarHBondContact O-N 3.36Å; L304-V320 HydrophobicContact CD1-CB 4.5Å; L304-V320 HydrophobicContact CD1-CG2 3.72Å; V318-V320 HydrophobicContact CG1-CG2 4.2Å; V318-V320 HydrophobicContact CG2-CG2 3.92Å; V320-R322 PolarHBondContact O-N 3.43Å; V320-M327 HydrophobicContact CG1-CB 4.46Å; V320-M327 HydrophobicContact CG1-CG 3.83Å; V320-I330 HydrophobicContact CB-CD1 3.56Å; V320-I330 HydrophobicContact CG1-CD1 3.43Å; V320-I330 VanDerWaalsContact CG1-CD1 3.43Å; V320-I330 HydrophobicContact CG2-CD1 4.15Å
321	L	98.4	Very high	97.4	Very high	13 Å²	13	41.8 Å²	41.8	7%	0.068	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	127.6	179.7	-169.1	68.1	0	0	0	110.6	I272 Y273 Q274 N299 H324 M327	I272-L321 HydrophobicContact CG2-CB 3.89Å; I272-L321 HydrophobicContact CG2-CD1 4Å; Y273-L321 PolarHBondContact O-N 3.06Å; Q274-L321 HydrophobicContact CB-CB 4.23Å; Q274-L321 HydrophobicContact CB-CD2 4.12Å; N299-L321 HydrophobicContact CB-CD1 4.24Å; L321-H324 HydrophobicContact CD2-CB 3.52Å; L321-H324 VanDerWaalsContact CD2-CG 3.43Å; L321-H324 HydrophobicContact CG-CB 3.73Å; L321-M327 HydrophobicContact CB-CG 4.37Å; L321-M327 HydrophobicContact CD2-CE 4.01Å; L321-M327 VanDerWaalsContact O-CB 3.28Å; L321-M327 WeakPolarHBondContact O-CB 3.43Å
322	R	98.3	Very high	97.3	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.026	17%	0.172	C	C	.	.			trans	-111.6	157	-179.5	172.5	173.6	63.2	70.2	-0.5	109.4	E242 G293 D300 Y301 W302 V320 H324	E242-R322 WeakPolarHBondContact OE1-CA 3.39Å; E242-R322 WeakPolarHBondContact OE1-CG 3.37Å; G293-R322 PolarHBondContact O-NH2 2.8Å; D300-R322 HydrophobicContact CB-CB 4.08Å; D300-R322 HydrophobicContact CB-CG 4.4Å; D300-R322 WeakPolarHBondContact CB-O 3.29Å; D300-R322 VanDerWaalsContact CG-CZ 3.41Å; D300-R322 PolarHBondContact O-N 3.18Å; D300-R322 IonicContact OD1-CZ 3.3Å; D300-R322 IonicContact OD1-NH1 2.92Å; D300-R322 IonicContact OD1-NH2 3.27Å; D300-R322 PolarHBondContact OD1-NH2 2.81Å; D300-R322 IonicContact OD2-CZ 3.15Å; D300-R322 IonicContact OD2-NH1 2.99Å; D300-R322 PolarHBondContact OD2-NH1 3.06Å; D300-R322 IonicContact OD2-NH2 2.86Å; Y301-R322 PolarHBondContact O-NE 3.08Å; Y301-R322 VanDerWaalsContact O-NE 3.14Å; W302-R322 HydrophobicContact CD2-CB 4.28Å; W302-R322 VanDerWaalsContact CD2-CD 3.48Å; W302-R322 HydrophobicContact CD2-CG 4.03Å; W302-R322 VanDerWaalsContact CE2-CG 3.48Å; W302-R322 HydrophobicContact CG-CB 4.03Å; W302-R322 HydrophobicContact CG-CG 4.3Å; W302-R322 HydrophobicContact CZ2-CG 3.78Å; V320-R322 PolarHBondContact O-N 3.43Å; R322-H324 PolarHBondContact O-N 3.39Å
323	N	96.3	Very high	97	Very high	82 Å²	82	37.2 Å²	37.2	44%	0.439	17%	0.174	S	C	.	.	S	Bend	trans	59.1	35.1	-178.3	-68.6	-16.7	0	0	0	112.2	E242 D300	E242-N323 VanDerWaalsContact CD-N 3.29Å; E242-N323 PolarHBondContact OE1-N 2.74Å; E242-N323 WeakPolarHBondContact OE2-CA 3Å; E242-N323 PolarHBondContact OE2-N 3.42Å; E242-N323 VanDerWaalsContact OE2-N 3.17Å; D300-N323 HydrophobicContact CB-CB 4.42Å; D300-N323 PolarHBondContact OD2-ND2 2.86Å
324	H	96.1	Very high	96.8	Very high	85 Å²	85	36.5 Å²	36.5	39%	0.394	17%	0.166	S	C	.	.	S	Bend	trans	-136.1	72.9	-178.4	-166.4	-83.2	0	0	0	110	E242 L321 R322 N326 M327	E242-H324 PolarHBondContact OE2-N 2.8Å; L321-H324 HydrophobicContact CD2-CB 3.52Å; L321-H324 VanDerWaalsContact CD2-CG 3.43Å; L321-H324 HydrophobicContact CG-CB 3.73Å; R322-H324 PolarHBondContact O-N 3.39Å; H324-N326 VanDerWaalsContact C-N 3.31Å; H324-N326 PolarHBondContact O-N 3.47Å; H324-M327 PolarHBondContact O-N 3.09Å
325	W	95.2	Very high	96.7	Very high	229 Å²	229	33.6 Å²	33.6	87%	0.867	15%	0.153	S	C	*	.	S	Bend	trans	57.5	38.1	176.8	-52.4	101.4	0	0	0	114	M327	W325-M327 PolarHBondContact O-N 3.11Å
326	N	96.5	Very high	96.6	Very high	16 Å²	16	27.6 Å²	27.6	9%	0.086	12%	0.124	C	C	.	.	S	Bend	trans	51.4	56.3	-176.7	-178.3	25.5	0	0	0	110.8	G240 E242 H324 C328 G329 I330 A331 S332	G240-N326 WeakPolarHBondContact CA-ND2 3.47Å; E242-N326 WeakPolarHBondContact OE2-CA 3.4Å; E242-N326 PolarHBondContact OE2-N 2.85Å; E242-N326 VanDerWaalsContact OE2-N 3.14Å; H324-N326 VanDerWaalsContact C-N 3.31Å; H324-N326 PolarHBondContact O-N 3.47Å; N326-C328 PolarHBondContact O-N 3.3Å; N326-G329 WeakPolarHBondContact O-CA 3.29Å; N326-G329 PolarHBondContact O-N 3.06Å; N326-G329 VanDerWaalsContact OD1-C 3.26Å; N326-I330 PolarHBondContact OD1-N 3.5Å; N326-I330 VanDerWaalsContact OD1-N 3.14Å; N326-A331 PolarHBondContact OD1-N 3.39Å; N326-S332 PolarHBondContact ND2-OG 2.91Å
327	M	97.8	Very high	96.5	Very high	13 Å²	13	27.6 Å²	27.6	6%	0.064	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-43.1	122.2	-176	178.6	58.2	70.5	0	0	111	Q274 V320 L321 H324 W325 G329 I330	Q274-M327 HydrophobicContact CB-CE 3.98Å; V320-M327 HydrophobicContact CG1-CB 4.46Å; V320-M327 HydrophobicContact CG1-CG 3.83Å; L321-M327 HydrophobicContact CB-CG 4.37Å; L321-M327 HydrophobicContact CD2-CE 4.01Å; L321-M327 VanDerWaalsContact O-CB 3.28Å; L321-M327 WeakPolarHBondContact O-CB 3.43Å; H324-M327 PolarHBondContact O-N 3.09Å; W325-M327 PolarHBondContact O-N 3.11Å; M327-G329 PolarHBondContact O-N 2.82Å; M327-I330 WeakPolarHBondContact O-CG1 3.31Å; M327-I330 PolarHBondContact O-N 3.05Å
328	C	97.3	Very high	96.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.02	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	53.5	17.6	-178.6	-50.4	0	0	0	0	115.8	M259 N260 C278 T279 N326	M259-C328 CarbonylContact C-O 3.58Å; M259-C328 VanDerWaalsContact CA-O 3.26Å; M259-C328 WeakPolarHBondContact CA-O 3.31Å; M259-C328 HydrophobicContact CB-CB 4.46Å; M259-C328 HydrophobicContact CE-CB 3.86Å; N260-C328 PolarHBondContact N-O 2.93Å; N260-C328 WeakPolarHBondContact O-CB 3.38Å; C278-C328 HydrophobicContact CB-CB 3.75Å; C278-C328 WeakPolarHBondContact CB-SG 3.22Å; C278-C328 WeakPolarHBondContact SG-CA 3.4Å; C278-C328 WeakPolarHBondContact SG-CB 3.44Å; C278-C328 PolarHBondContact SG-N 2.88Å; C278-C328 VanDerWaalsContact SG-N 3.36Å; C278-C328 CovalentContact SG-SG 2.04Å; C278-C328 PolarHBondContact SG-SG 3.33Å; T279-C328 CarbonylContact O-C 3.52Å; N326-C328 PolarHBondContact O-N 3.3Å
329	G	96.2	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	80.6	19	174.3	0	0	0	0	0	115.8	S258 N326 M327 A331 S332	S258-G329 VanDerWaalsContact O-O 3.09Å; N326-G329 WeakPolarHBondContact O-CA 3.29Å; N326-G329 PolarHBondContact O-N 3.06Å; N326-G329 VanDerWaalsContact OD1-C 3.26Å; M327-G329 PolarHBondContact O-N 2.82Å; G329-A331 PolarHBondContact O-N 3.41Å; G329-A331 VanDerWaalsContact O-N 3.12Å; G329-S332 WeakPolarHBondContact CA-OG 3.47Å; G329-S332 WeakPolarHBondContact O-CB 3.09Å; G329-S332 PolarHBondContact O-N 2.81Å; G329-S332 PolarHBondContact O-OG 3.17Å
330	I	96.9	Very high	95.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-40.5	-176.9	-71.9	171.6	0	0	0	113.2	L245 I257 M259 W302 L304 V320 N326 M327	L245-I330 HydrophobicContact CD2-CG2 4.31Å; I257-I330 WeakPolarHBondContact CB-O 3.47Å; I257-I330 HydrophobicContact CD1-CG1 4.48Å; I257-I330 HydrophobicContact CG1-CG2 4.4Å; I257-I330 HydrophobicContact CG2-CG2 4.46Å; M259-I330 HydrophobicContact CB-CG1 4.34Å; W302-I330 HydrophobicContact CB-CD1 4.44Å; W302-I330 HydrophobicContact CD2-CG2 4.46Å; W302-I330 HydrophobicContact CG-CD1 4.32Å; W302-I330 HydrophobicContact CG-CG2 4.11Å; L304-I330 HydrophobicContact CD1-CD1 4.13Å; L304-I330 HydrophobicContact CD1-CG1 4.47Å; V320-I330 HydrophobicContact CB-CD1 3.56Å; V320-I330 HydrophobicContact CG1-CD1 3.43Å; V320-I330 VanDerWaalsContact CG1-CD1 3.43Å; V320-I330 HydrophobicContact CG2-CD1 4.15Å; N326-I330 PolarHBondContact OD1-N 3.5Å; N326-I330 VanDerWaalsContact OD1-N 3.14Å; M327-I330 WeakPolarHBondContact O-CG1 3.31Å; M327-I330 PolarHBondContact O-N 3.05Å
331	A	95.3	Very high	94.6	Very high	3 Å²	3	35 Å²	35	3%	0.025	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.5	179	0	0	0	0	0	113.8	G240 E242 L245 N326 G329	G240-A331 VanDerWaalsContact CA-O 3.23Å; G240-A331 WeakPolarHBondContact CA-O 3.35Å; G240-A331 PolarHBondContact N-O 2.86Å; E242-A331 HydrophobicContact CG-CB 3.95Å; L245-A331 HydrophobicContact CB-CB 4.49Å; L245-A331 HydrophobicContact CD2-CB 3.85Å; N326-A331 PolarHBondContact OD1-N 3.39Å; G329-A331 PolarHBondContact O-N 3.41Å; G329-A331 VanDerWaalsContact O-N 3.12Å
332	S	92.8	Very high	93.2	Very high	22 Å²	22	42 Å²	42	15%	0.154	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-37.1	177.3	-63.4	0	0	0	0	112	H280 N326 G329	H280-S332 PolarHBondContact O-OG 3.35Å; N326-S332 PolarHBondContact ND2-OG 2.91Å; G329-S332 WeakPolarHBondContact CA-OG 3.47Å; G329-S332 WeakPolarHBondContact O-CB 3.09Å; G329-S332 PolarHBondContact O-N 2.81Å; G329-S332 PolarHBondContact O-OG 3.17Å
333	M	92.6	Very high	92.9	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	97.3	-178.2	-70.8	-168.6	39.3	0	0	110.3	E98 L100 I257 S258 L283 F335	E98-M333 HydrophobicContact CG-CE 3.44Å; E98-M333 VanDerWaalsContact CG-CE 3.44Å; E98-M333 HydrophobicContact CG-SD 4.02Å; E98-M333 VanDerWaalsContact OE1-CE 3.25Å; E98-M333 WeakPolarHBondContact OE1-CE 3.34Å; L100-M333 HydrophobicContact CD1-CE 4.01Å; L100-M333 HydrophobicContact CD1-CG 3.5Å; L100-M333 HydrophobicContact CD1-SD 3.51Å; L100-M333 VanDerWaalsContact CD1-SD 3.51Å; L100-M333 HydrophobicContact CG-CE 3.81Å; L100-M333 HydrophobicContact CG-CG 4.37Å; L100-M333 HydrophobicContact CG-SD 3.84Å; I257-M333 CarbonylContact C-O 3.58Å; I257-M333 VanDerWaalsContact CA-O 3.32Å; I257-M333 WeakPolarHBondContact CA-O 3.17Å; S258-M333 PolarHBondContact N-O 3.1Å; S258-M333 VanDerWaalsContact N-O 3.08Å; L283-M333 HydrophobicContact CD1-CB 3.84Å; L283-M333 HydrophobicContact CD1-CG 3.6Å; L283-M333 HydrophobicContact CD1-SD 3.68Å; M333-F335 HydrophobicContact CB-CE2 4.08Å; M333-F335 HydrophobicContact CE-CE2 3.73Å; M333-F335 HydrophobicContact CE-CZ 3.99Å
334	A	94.9	Very high	92.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.3	178.5	0	0	0	0	0	111.7	F236 H237 L245 Y255 V256 I257	F236-A334 WeakPolarHBondContact CA-O 3.44Å; H237-A334 HydrophobicContact CB-CB 4.18Å; H237-A334 PolarHBondContact N-O 3.02Å; H237-A334 PolarHBondContact O-N 3.1Å; L245-A334 HydrophobicContact CD1-CB 3.64Å; L245-A334 HydrophobicContact CD2-CB 4.18Å; Y255-A334 HydrophobicContact CD1-CB 4.14Å; V256-A334 CarbonylContact O-C 3.45Å; V256-A334 WeakPolarHBondContact O-CA 3.48Å; I257-A334 HydrophobicContact CG2-CB 3.85Å
335	F	95.2	Very high	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.6	-176.9	-51.8	-96.8	0	0	0	112.6	L100 T193 F194 F197 Y234 K235 F236 Y255 V256 M333	L100-F335 HydrophobicContact CD2-CE1 4.26Å; L100-F335 HydrophobicContact CD2-CZ 3.86Å; L100-F335 HydrophobicContact CG-CZ 4.34Å; T193-F335 HydrophobicContact CG2-CD2 4.02Å; T193-F335 HydrophobicContact CG2-CE2 4.38Å; F194-F335 HydrophobicContact CB-CE1 4.09Å; F194-F335 HydrophobicContact CB-CZ 3.95Å; F197-F335 HydrophobicContact CD2-CB 4.07Å; F197-F335 HydrophobicContact CD2-CD1 4.4Å; F197-F335 HydrophobicContact CD2-CG 4.26Å; F197-F335 HydrophobicContact CE1-CB 4.19Å; F197-F335 HydrophobicContact CE2-CB 3.31Å; F197-F335 HydrophobicContact CE2-CD1 4.35Å; F197-F335 HydrophobicContact CE2-CD2 4.25Å; F197-F335 AromaticContact CE2-CG 3.76Å; F197-F335 HydrophobicContact CE2-CG 3.76Å; F197-F335 HydrophobicContact CZ-CB 3.39Å; F197-F335 HydrophobicContact CZ-CG 4.34Å; Y234-F335 AromaticContact CD2-CD1 3.94Å; Y234-F335 HydrophobicContact CD2-CD1 3.94Å; Y234-F335 HydrophobicContact CE2-CD1 4.14Å; Y234-F335 HydrophobicContact CE2-CE1 4.28Å; K235-F335 VanDerWaalsContact O-CA 3.3Å; K235-F335 WeakPolarHBondContact O-CA 3.35Å; F236-F335 HydrophobicContact CB-CD1 3.9Å; F236-F335 HydrophobicContact CB-CE1 4.06Å; F236-F335 HydrophobicContact CD1-CE1 4.16Å; F236-F335 AromaticContact CD2-CD1 3.43Å; F236-F335 HydrophobicContact CD2-CD1 3.43Å; F236-F335 VanDerWaalsContact CD2-CD1 3.43Å; F236-F335 HydrophobicContact CD2-CD2 4.48Å; F236-F335 AromaticContact CD2-CE1 3.09Å; F236-F335 HydrophobicContact CD2-CE1 3.09Å; F236-F335 HydrophobicContact CD2-CE2 4.23Å; F236-F335 HydrophobicContact CD2-CG 4.13Å; F236-F335 AromaticContact CD2-CZ 3.55Å; F236-F335 HydrophobicContact CD2-CZ 3.55Å; F236-F335 HydrophobicContact CE1-CE1 4.45Å; F236-F335 HydrophobicContact CE2-CD1 4.22Å; F236-F335 AromaticContact CE2-CE1 3.5Å; F236-F335 HydrophobicContact CE2-CE1 3.5Å; F236-F335 VanDerWaalsContact CE2-CE1 3.5Å; F236-F335 HydrophobicContact CE2-CE2 4.13Å; F236-F335 AromaticContact CE2-CZ 3.44Å; F236-F335 HydrophobicContact CE2-CZ 3.44Å; F236-F335 VanDerWaalsContact CE2-CZ 3.44Å; F236-F335 AromaticContact CG-CD1 3.82Å; F236-F335 HydrophobicContact CG-CD1 3.82Å; F236-F335 AromaticContact CG-CE1 3.5Å; F236-F335 HydrophobicContact CG-CE1 3.5Å; F236-F335 HydrophobicContact CG-CZ 4.32Å; F236-F335 HydrophobicContact CZ-CE1 4.18Å; F236-F335 HydrophobicContact CZ-CZ 4.13Å; Y255-F335 CarbonylContact C-O 3.59Å; Y255-F335 WeakPolarHBondContact CA-O 3.44Å; Y255-F335 VanDerWaalsContact CD1-O 3.26Å; Y255-F335 WeakPolarHBondContact CD1-O 3.47Å; V256-F335 HydrophobicContact CG1-CB 3.7Å; V256-F335 HydrophobicContact CG1-CD2 4.23Å; V256-F335 HydrophobicContact CG1-CG 4.47Å; V256-F335 WeakPolarHBondContact CG1-O 3.4Å; V256-F335 PolarHBondContact N-O 3.2Å; V256-F335 PolarHBondContact O-N 3.36Å; M333-F335 HydrophobicContact CB-CE2 4.08Å; M333-F335 HydrophobicContact CE-CE2 3.73Å; M333-F335 HydrophobicContact CE-CZ 3.99Å
336	R	95.7	Very high	92.4	Very high	28 Å²	28	28.1 Å²	28.1	11%	0.106	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.8	160.6	70.6	171.3	177.4	131.8	10.7	110.9	V156 Y234 K235 E252 Y255	V156-R336 HydrophobicContact CG2-CB 4.07Å; Y234-R336 CarbonylContact C-O 3.58Å; Y234-R336 VanDerWaalsContact CA-O 3.25Å; Y234-R336 WeakPolarHBondContact CA-O 3.47Å; Y234-R336 VanDerWaalsContact CB-O 3.27Å; Y234-R336 WeakPolarHBondContact CB-O 3.38Å; K235-R336 HydrophobicContact CB-CG 3.96Å; K235-R336 VanDerWaalsContact CD-NH2 3.33Å; K235-R336 HydrophobicContact CG-CG 4.49Å; K235-R336 PolarHBondContact N-O 3.11Å; K235-R336 PolarHBondContact O-N 3.09Å; E252-R336 VanDerWaalsContact CB-NH2 3.32Å; E252-R336 PolarHBondContact O-NH1 2.92Å; E252-R336 IonicContact OE1-NH2 3.12Å; E252-R336 PolarHBondContact OE1-NH2 2.94Å; E252-R336 VanDerWaalsContact OE1-NH2 3.12Å; E252-R336 IonicContact OE2-CZ 3.01Å; E252-R336 IonicContact OE2-NE 3.31Å; E252-R336 PolarHBondContact OE2-NE 3.47Å; E252-R336 IonicContact OE2-NH2 2.66Å; E252-R336 PolarHBondContact OE2-NH2 3.48Å; Y255-R336 HydrophobicContact CD1-CB 4.03Å; Y255-R336 HydrophobicContact CD1-CG 4.28Å; Y255-R336 HydrophobicContact CD2-CB 4.39Å; Y255-R336 HydrophobicContact CE1-CB 3.89Å; Y255-R336 HydrophobicContact CE1-CG 3.63Å; Y255-R336 HydrophobicContact CE2-CB 4.29Å; Y255-R336 VanDerWaalsContact CE2-CD 3.42Å; Y255-R336 HydrophobicContact CE2-CG 3.92Å; Y255-R336 HydrophobicContact CG-CB 4.26Å; Y255-R336 VanDerWaalsContact CZ-CG 3.44Å; Y255-R336 WeakPolarHBondContact OH-CD 3.47Å; Y255-R336 PolarHBondContact OH-NE 2.9Å
337	P	96.3	Very high	92.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	146.8	177.1	33.6	-31	0	0	0	110.7	V156 Q160 F197 L200 L339	V156-P337 HydrophobicContact CG1-CG 4.43Å; Q160-P337 HydrophobicContact CB-CG 4.42Å; Q160-P337 HydrophobicContact CG-CG 4.11Å; F197-P337 HydrophobicContact CD1-CB 4.02Å; F197-P337 HydrophobicContact CE1-CB 3.95Å; F197-P337 HydrophobicContact CE1-CG 4.23Å; L200-P337 HydrophobicContact CD2-CB 3.69Å; L200-P337 HydrophobicContact CD2-CG 4.3Å; P337-L339 HydrophobicContact CB-CD2 3.96Å; P337-L339 HydrophobicContact CG-CD2 4Å
338	I	94.9	Very high	91.8	Very high	31 Å²	31	29.9 Å²	29.9	16%	0.159	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	100.3	167.4	-55.3	170.7	0	0	0	106.2	I112 S231 I232 G233 K235	I112-I338 HydrophobicContact CD1-CD1 3.89Å; I112-I338 HydrophobicContact CG1-CD1 4.42Å; S231-I338 CarbonylContact C-O 3.59Å; S231-I338 WeakPolarHBondContact CA-O 3.37Å; S231-I338 PolarHBondContact OG-O 3.36Å; S231-I338 VanDerWaalsContact OG-O 3.08Å; I232-I338 HydrophobicContact CD1-CG2 3.93Å; I232-I338 HydrophobicContact CG1-CB 4.18Å; I232-I338 HydrophobicContact CG1-CG2 3.73Å; I232-I338 VanDerWaalsContact CG1-O 3.27Å; I232-I338 WeakPolarHBondContact CG1-O 3.45Å; I232-I338 PolarHBondContact N-O 3.44Å; G233-I338 PolarHBondContact O-N 3.08Å; K235-I338 HydrophobicContact CG-CD1 4.03Å; K235-I338 HydrophobicContact CG-CG1 4.18Å
339	L	94.6	Very high	91.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	151.6	-177.1	-53.7	-174.1	0	0	0	111.5	T157 Q160 R164 V229 P337 F342	T157-L339 HydrophobicContact CG2-CD2 4.23Å; Q160-L339 HydrophobicContact CB-CD1 3.81Å; Q160-L339 HydrophobicContact CB-CG 4.08Å; R164-L339 PolarHBondContact NH1-O 3.44Å; R164-L339 PolarHBondContact NH2-O 2.82Å; V229-L339 HydrophobicContact CG2-CD1 3.83Å; V229-L339 HydrophobicContact CG2-CD2 3.73Å; V229-L339 HydrophobicContact CG2-CG 4.26Å; P337-L339 HydrophobicContact CB-CD2 3.96Å; P337-L339 HydrophobicContact CG-CD2 4Å; L339-F342 HydrophobicContact CD1-CE2 4.49Å
340	R	88	Confident	91	Very high	128 Å²	128	34.3 Å²	34.3	48%	0.483	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-62.4	147.9	165.9	-167.8	173.5	-79.8	159.4	2.4	109.2	Q230 I232	Q230-R340 PolarHBondContact O-N 3.46Å; I232-R340 HydrophobicContact CG2-CB 3.82Å; I232-R340 HydrophobicContact CG2-CG 4.03Å
341	G	77.3	Confident	90.5	Very high	62 Å²	62	37.1 Å²	37.1	64%	0.639	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-61.6	144.8	173.2	0	0	0	0	0	111.1
342	F	68.5	Low	90.1	Very high	159 Å²	159	40.2 Å²	40.2	70%	0.697	21%	0.209	S	C	*	.			trans	-95.9	0	176.5	-63.8	-73.7	0	0	0	111.1	Y161 R164 T165 V229 L339	Y161-F342 AromaticContact CD2-CE1 4Å; Y161-F342 HydrophobicContact CD2-CE1 4Å; Y161-F342 AromaticContact CD2-CE2 3.89Å; Y161-F342 HydrophobicContact CD2-CE2 3.89Å; Y161-F342 AromaticContact CD2-CZ 3.32Å; Y161-F342 HydrophobicContact CD2-CZ 3.32Å; Y161-F342 HydrophobicContact CE2-CD1 4.38Å; Y161-F342 AromaticContact CE2-CE1 3.54Å; Y161-F342 HydrophobicContact CE2-CE1 3.54Å; Y161-F342 HydrophobicContact CE2-CE2 4.05Å; Y161-F342 AromaticContact CE2-CZ 3.35Å; Y161-F342 HydrophobicContact CE2-CZ 3.35Å; Y161-F342 HydrophobicContact CG-CZ 4.49Å; R164-F342 HydrophobicContact CB-CD2 4.39Å; R164-F342 HydrophobicContact CB-CE2 4.35Å; T165-F342 HydrophobicContact CG2-CD2 3.55Å; T165-F342 HydrophobicContact CG2-CE2 3.75Å; T165-F342 HydrophobicContact CG2-CG 4.08Å; T165-F342 HydrophobicContact CG2-CZ 4.45Å; V229-F342 HydrophobicContact CG2-CZ 4.22Å; L339-F342 HydrophobicContact CD1-CE2 4.49Å

Retrieved 342 of 342 residues in 177.8 ms (Link to these results)

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