A0A087XMD5_POEFO Loading...

ST8 alpha-N-acetyl-neuraminide alpha-2,8-sialyltransferase 2

AlphaFold DB , UniProt , Accession A0A087XMD5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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	54.4	Low	58.8	Low	172 Å²	172	112.1 Å²	112.1	85%	0.847	60%	0.597	S	S	*	*				0	136.5	0	-67.4	177.4	-162.1	0	0	108.4	F5	M1-F5 HydrophobicContact CB-CB 4.43Å
2	P	55.2	Low	59.8	Low	81 Å²	81	114.4 Å²	114.4	53%	0.526	60%	0.598	S	S	.	*			trans	-63.9	151.8	173.5	26.6	-31.9	0	0	0	111	V4 F5	P2-V4 VanDerWaalsContact C-N 3.27Å; P2-V4 PolarHBondContact O-N 2.79Å; P2-F5 HydrophobicContact CG-CB 4.25Å; P2-F5 WeakPolarHBondContact O-CB 3.33Å; P2-F5 PolarHBondContact O-N 2.65Å
3	P	55.8	Low	60.1	Low	102 Å²	102	114.2 Å²	114.2	66%	0.662	60%	0.597	S	S	*	*	H	α-helix	trans	-59.6	-35.1	-172	20.9	-32.3	0	0	0	113.3	F5 R6 S7	P3-F5 PolarHBondContact O-N 3.35Å; P3-R6 PolarHBondContact O-N 3.01Å; P3-S7 PolarHBondContact O-N 3.44Å
4	V	59.1	Low	60.5	Low	102 Å²	102	111.5 Å²	111.5	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-54.1	-38.4	174.9	-174.2	0	0	0	0	112	P2 R6 S7 L8	P2-V4 VanDerWaalsContact C-N 3.27Å; P2-V4 PolarHBondContact O-N 2.79Å; V4-R6 PolarHBondContact O-N 3.23Å; V4-S7 PolarHBondContact O-N 2.93Å; V4-L8 HydrophobicContact CG1-CD1 4.09Å; V4-L8 WeakPolarHBondContact O-CG 3.49Å; V4-L8 PolarHBondContact O-N 3.21Å
5	F	50.9	Low	61.1	Low	125 Å²	125	110.7 Å²	110.7	55%	0.548	58%	0.584	S	S	.	*	H	α-helix	trans	-71.6	-29.2	-179.4	-134.5	-90.6	0	0	0	112.8	M1 P2 P3 L9	M1-F5 HydrophobicContact CB-CB 4.43Å; P2-F5 HydrophobicContact CG-CB 4.25Å; P2-F5 WeakPolarHBondContact O-CB 3.33Å; P2-F5 PolarHBondContact O-N 2.65Å; P3-F5 PolarHBondContact O-N 3.35Å; F5-L9 VanDerWaalsContact O-CB 3.32Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 PolarHBondContact O-N 3.05Å
6	R	54.5	Low	61.5	Low	178 Å²	178	110.6 Å²	110.6	67%	0.672	58%	0.582	S	S	*	*	H	α-helix	trans	-72.8	-42.4	174.7	-78.5	-175.8	166.6	179.9	-3.7	111.4	P3 V4 L9 F10	P3-R6 PolarHBondContact O-N 3.01Å; V4-R6 PolarHBondContact O-N 3.23Å; R6-L9 PolarHBondContact O-N 3Å; R6-F10 PolarHBondContact O-N 3.16Å
7	S	60	Low	61.6	Low	88 Å²	88	108.6 Å²	108.6	62%	0.615	58%	0.576	S	S	*	*	H	α-helix	trans	-64	-41.7	176.2	-55.6	0	0	0	0	112	P3 V4 F10 G11	P3-S7 PolarHBondContact O-N 3.44Å; V4-S7 PolarHBondContact O-N 2.93Å; S7-F10 PolarHBondContact O-N 2.77Å; S7-G11 PolarHBondContact O-N 3.26Å
8	L	60.6	Low	62	Low	93 Å²	93	106.7 Å²	106.7	49%	0.487	57%	0.569	S	S	.	*	H	α-helix	trans	-61.6	-48.5	173.2	-75.3	166.3	0	0	0	111.7	V4 F10 G11 F12	V4-L8 HydrophobicContact CG1-CD1 4.09Å; V4-L8 WeakPolarHBondContact O-CG 3.49Å; V4-L8 PolarHBondContact O-N 3.21Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.73Å; L8-G11 PolarHBondContact O-N 3.34Å; L8-F12 WeakPolarHBondContact O-CD2 2.97Å; L8-F12 PolarHBondContact O-N 3.28Å
9	L	65.8	Low	62	Low	102 Å²	102	106.1 Å²	106.1	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-60.9	-39.3	179	-171.3	68.7	0	0	0	112.1	F5 R6 L13	F5-L9 VanDerWaalsContact O-CB 3.32Å; F5-L9 WeakPolarHBondContact O-CB 3.37Å; F5-L9 PolarHBondContact O-N 3.05Å; R6-L9 PolarHBondContact O-N 3Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 PolarHBondContact O-N 2.78Å
10	F	61.3	Low	61.8	Low	153 Å²	153	105.8 Å²	105.8	67%	0.671	56%	0.563	S	S	*	*	H	α-helix	trans	-66.4	-42.1	175.5	-127.1	-88.7	0	0	0	112.1	R6 S7 L8 L13 T14	R6-F10 PolarHBondContact O-N 3.16Å; S7-F10 PolarHBondContact O-N 2.77Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.73Å; F10-L13 PolarHBondContact O-N 3.13Å; F10-T14 HydrophobicContact CD1-CG2 4.45Å; F10-T14 PolarHBondContact O-N 3.15Å; F10-T14 PolarHBondContact O-OG1 3.21Å; F10-T14 VanDerWaalsContact O-OG1 3.09Å
11	G	69.4	Low	61.8	Low	37 Å²	37	105 Å²	105	38%	0.381	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-38.7	176	0	0	0	0	0	113.4	S7 L8 T14 L15	S7-G11 PolarHBondContact O-N 3.26Å; L8-G11 PolarHBondContact O-N 3.34Å; G11-T14 PolarHBondContact O-OG1 3.44Å; G11-L15 VanDerWaalsContact O-CB 3.27Å; G11-L15 WeakPolarHBondContact O-CB 3.42Å; G11-L15 PolarHBondContact O-N 2.93Å
12	F	70.7	Confident	62	Low	140 Å²	140	101.3 Å²	101.3	61%	0.614	54%	0.541	S	S	*	.	H	α-helix	trans	-65.5	-40.8	171.2	-87.3	-73.2	0	0	0	111.8	L8 L15 L16	L8-F12 WeakPolarHBondContact O-CD2 2.97Å; L8-F12 PolarHBondContact O-N 3.28Å; F12-L15 PolarHBondContact O-N 3.31Å; F12-L16 VanDerWaalsContact O-CB 3.29Å; F12-L16 WeakPolarHBondContact O-CB 3.3Å; F12-L16 PolarHBondContact O-N 3.49Å
13	L	63.8	Low	61.7	Low	112 Å²	112	102.9 Å²	102.9	59%	0.586	55%	0.545	S	S	*	.	H	α-helix	trans	-66.7	-42.3	179.5	-142.5	82.7	0	0	0	112.1	L9 F10 L16 V17	L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 PolarHBondContact O-N 2.78Å; F10-L13 PolarHBondContact O-N 3.13Å; L13-L16 PolarHBondContact O-N 2.98Å; L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 3.1Å
14	T	66.1	Low	61.4	Low	76 Å²	76	103.5 Å²	103.5	47%	0.466	54%	0.543	S	S	.	.	H	α-helix	trans	-68.7	-39.8	176.5	48.8	0	0	0	0	112.1	F10 G11 L16 V17 V18	F10-T14 HydrophobicContact CD1-CG2 4.45Å; F10-T14 PolarHBondContact O-N 3.15Å; F10-T14 PolarHBondContact O-OG1 3.21Å; F10-T14 VanDerWaalsContact O-OG1 3.09Å; G11-T14 PolarHBondContact O-OG1 3.44Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 2.89Å; T14-V17 PolarHBondContact O-N 3.11Å; T14-V18 WeakPolarHBondContact O-CG2 3.23Å; T14-V18 PolarHBondContact O-N 3.45Å
15	L	69.4	Low	61	Low	100 Å²	100	103.1 Å²	103.1	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-41.7	174.2	-172.3	69.2	0	0	0	111.6	G11 F12 V18 L19	G11-L15 VanDerWaalsContact O-CB 3.27Å; G11-L15 WeakPolarHBondContact O-CB 3.42Å; G11-L15 PolarHBondContact O-N 2.93Å; F12-L15 PolarHBondContact O-N 3.31Å; L15-V18 PolarHBondContact O-N 3.13Å; L15-L19 HydrophobicContact CG-CD1 4.26Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 2.93Å
16	L	66.6	Low	60.8	Low	108 Å²	108	99.5 Å²	99.5	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-69.6	-36.1	179.9	-154.2	145.3	0	0	0	111.9	F12 L13 T14 L20	F12-L16 VanDerWaalsContact O-CB 3.29Å; F12-L16 WeakPolarHBondContact O-CB 3.3Å; F12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 2.98Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 2.89Å; L16-L20 HydrophobicContact CD2-CD1 3.84Å; L16-L20 HydrophobicContact CD2-CG 4.36Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 2.98Å
17	V	63.3	Low	60.4	Low	77 Å²	77	95.9 Å²	95.9	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-41.3	170.7	169.7	0	0	0	0	111.7	L13 T14 L20 I21	L13-V17 WeakPolarHBondContact O-CG2 3.32Å; L13-V17 PolarHBondContact O-N 3.1Å; T14-V17 PolarHBondContact O-N 3.11Å; V17-L20 PolarHBondContact O-N 3.48Å; V17-I21 HydrophobicContact CG1-CD1 3.83Å; V17-I21 WeakPolarHBondContact O-CD1 3.4Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.43Å; V17-I21 PolarHBondContact O-N 2.83Å
18	V	69.7	Low	59.6	Low	75 Å²	75	96.4 Å²	96.4	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-41.5	176	168.9	0	0	0	0	111.4	T14 L15 I21 I22	T14-V18 WeakPolarHBondContact O-CG2 3.23Å; T14-V18 PolarHBondContact O-N 3.45Å; L15-V18 PolarHBondContact O-N 3.13Å; V18-I21 PolarHBondContact O-N 3.45Å; V18-I22 HydrophobicContact CG1-CD1 3.79Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.43Å; V18-I22 PolarHBondContact O-N 2.94Å
19	L	61.6	Low	58.9	Low	94 Å²	94	97.9 Å²	97.9	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-43.1	175.7	-71.7	167.7	0	0	0	112	L15 I21 I22 D23	L15-L19 HydrophobicContact CG-CD1 4.26Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 2.93Å; L19-I21 VanDerWaalsContact C-N 3.32Å; L19-I21 PolarHBondContact O-N 3.49Å; L19-I22 PolarHBondContact O-N 3.21Å; L19-D23 PolarHBondContact O-N 3.04Å
20	L	58	Low	57.8	Low	101 Å²	101	100.1 Å²	100.1	53%	0.529	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-36.5	175.1	-71.8	170.6	0	0	0	112.7	L16 V17 D24	L16-L20 HydrophobicContact CD2-CD1 3.84Å; L16-L20 HydrophobicContact CD2-CG 4.36Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 2.98Å; V17-L20 PolarHBondContact O-N 3.48Å; L20-D24 PolarHBondContact O-N 3.22Å
21	I	61.3	Low	56.9	Low	89 Å²	89	100.8 Å²	100.8	46%	0.456	53%	0.527	S	S	.	.	H	α-helix	trans	-68.1	-38.2	174.6	-70	165.2	0	0	0	111.1	V17 V18 L19 D24 I25	V17-I21 HydrophobicContact CG1-CD1 3.83Å; V17-I21 WeakPolarHBondContact O-CD1 3.4Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.43Å; V17-I21 PolarHBondContact O-N 2.83Å; V18-I21 PolarHBondContact O-N 3.45Å; L19-I21 VanDerWaalsContact C-N 3.32Å; L19-I21 PolarHBondContact O-N 3.49Å; I21-D24 PolarHBondContact O-N 2.85Å; I21-I25 HydrophobicContact CG2-CD1 3.8Å; I21-I25 WeakPolarHBondContact O-CB 3.24Å; I21-I25 WeakPolarHBondContact O-CD1 3.32Å; I21-I25 VanDerWaalsContact O-CG1 3.23Å; I21-I25 WeakPolarHBondContact O-CG1 3.39Å; I21-I25 PolarHBondContact O-N 3.24Å
22	I	58.3	Low	55.3	Low	94 Å²	94	102 Å²	102	48%	0.482	53%	0.529	S	S	.	.	H	α-helix	trans	-68.5	-41	177.3	-69.6	166.8	0	0	0	111.1	V18 L19 I25 A26	V18-I22 HydrophobicContact CG1-CD1 3.79Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.43Å; V18-I22 PolarHBondContact O-N 2.94Å; L19-I22 PolarHBondContact O-N 3.21Å; I22-I25 PolarHBondContact O-N 3.07Å; I22-A26 WeakPolarHBondContact O-CB 3.26Å; I22-A26 PolarHBondContact O-N 3.04Å
23	D	50.1	Low	53.6	Low	114 Å²	114	101.5 Å²	101.5	61%	0.61	53%	0.533	S	S	*	.	H	α-helix	trans	-62.8	-43.5	173.9	-86.3	-17.2	0	0	0	111.7	L19 I25 A26 E27	L19-D23 PolarHBondContact O-N 3.04Å; D23-I25 PolarHBondContact O-N 3.04Å; D23-A26 PolarHBondContact O-N 3.06Å; D23-E27 PolarHBondContact O-N 3.29Å
24	D	48.8	Very low	52.3	Low	116 Å²	116	102.7 Å²	102.7	62%	0.62	54%	0.539	S	S	*	.	H	α-helix	trans	-61	-41.4	174.7	-99.5	-7.3	0	0	0	111.9	L20 I21 E27 V28	L20-D24 PolarHBondContact O-N 3.22Å; I21-D24 PolarHBondContact O-N 2.85Å; D24-E27 PolarHBondContact O-N 2.8Å; D24-V28 WeakPolarHBondContact O-CG2 3.33Å; D24-V28 PolarHBondContact O-N 2.91Å
25	I	50.8	Low	50.9	Low	94 Å²	94	104.3 Å²	104.3	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-66.1	-44.3	176.7	-70.6	165.7	0	0	0	110.8	I21 I22 D23 E27 V28 E29	I21-I25 HydrophobicContact CG2-CD1 3.8Å; I21-I25 WeakPolarHBondContact O-CB 3.24Å; I21-I25 WeakPolarHBondContact O-CD1 3.32Å; I21-I25 VanDerWaalsContact O-CG1 3.23Å; I21-I25 WeakPolarHBondContact O-CG1 3.39Å; I21-I25 PolarHBondContact O-N 3.24Å; I22-I25 PolarHBondContact O-N 3.07Å; D23-I25 PolarHBondContact O-N 3.04Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 2.87Å; I25-V28 PolarHBondContact O-N 2.86Å; I25-V28 VanDerWaalsContact O-N 3.15Å; I25-E29 PolarHBondContact O-N 2.92Å
26	A	46.9	Very low	49.2	Very low	48 Å²	48	101.8 Å²	101.8	40%	0.397	55%	0.552	S	S	.	*	H	α-helix	trans	-63.7	-35.9	177.4	0	0	0	0	0	112.1	I22 D23 K30	I22-A26 WeakPolarHBondContact O-CB 3.26Å; I22-A26 PolarHBondContact O-N 3.04Å; D23-A26 PolarHBondContact O-N 3.06Å; A26-K30 VanDerWaalsContact O-CB 3.26Å; A26-K30 WeakPolarHBondContact O-CB 3.28Å; A26-K30 PolarHBondContact O-N 2.83Å
27	E	46.8	Very low	47.3	Very low	102 Å²	102	105.8 Å²	105.8	48%	0.477	57%	0.57	S	S	.	*	H	α-helix	trans	-71.1	-31.7	174.4	-166.3	169.5	159.6	0	0	112.3	D23 D24 I25 R31	D23-E27 PolarHBondContact O-N 3.29Å; D24-E27 PolarHBondContact O-N 2.8Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 2.87Å; E27-R31 VanDerWaalsContact O-CG 3.25Å; E27-R31 WeakPolarHBondContact O-CG 3.37Å; E27-R31 PolarHBondContact O-N 2.91Å; E27-R31 VanDerWaalsContact O-N 3.11Å; E27-R31 IonicContact OE1-CZ 3.11Å; E27-R31 IonicContact OE1-NE 2.62Å; E27-R31 PolarHBondContact OE1-NE 3.02Å; E27-R31 IonicContact OE1-NH2 3.73Å; E27-R31 PolarHBondContact OE1-NH2 3.12Å
28	V	41.8	Very low	45.8	Very low	99 Å²	99	111.8 Å²	111.8	60%	0.6	59%	0.593	S	S	*	*	H	α-helix	trans	-68.8	-47.1	172.7	169.9	0	0	0	0	111.9	D24 I25 K30 R31 S32	D24-V28 WeakPolarHBondContact O-CG2 3.33Å; D24-V28 PolarHBondContact O-N 2.91Å; I25-V28 PolarHBondContact O-N 2.86Å; I25-V28 VanDerWaalsContact O-N 3.15Å; V28-K30 VanDerWaalsContact C-N 3.3Å; V28-K30 PolarHBondContact O-N 2.89Å; V28-R31 PolarHBondContact O-N 2.89Å; V28-R31 VanDerWaalsContact O-N 3.1Å; V28-S32 PolarHBondContact O-N 2.82Å
29	E	46.3	Very low	43.7	Very low	125 Å²	125	112.1 Å²	112.1	58%	0.584	61%	0.612	S	S	*	*	H	α-helix	trans	-63.2	-36.4	176	-76.3	-166.2	138.6	0	0	112.4	I25 R31 S32 N33	I25-E29 PolarHBondContact O-N 2.92Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.07Å; E29-S32 WeakPolarHBondContact CA-OG 3.44Å; E29-S32 PolarHBondContact O-N 2.82Å; E29-S32 PolarHBondContact O-OG 3.03Å; E29-N33 PolarHBondContact O-N 3.46Å
30	K	42.9	Very low	42	Very low	148 Å²	148	111.3 Å²	111.3	64%	0.643	63%	0.625	S	S	*	*	H	α-helix	trans	-63.9	-35.8	174.1	-164.2	170	-172.3	173.9	0	111.6	A26 V28 L34	A26-K30 VanDerWaalsContact O-CB 3.26Å; A26-K30 WeakPolarHBondContact O-CB 3.28Å; A26-K30 PolarHBondContact O-N 2.83Å; V28-K30 VanDerWaalsContact C-N 3.3Å; V28-K30 PolarHBondContact O-N 2.89Å; K30-L34 HydrophobicContact CG-CD1 4.5Å; K30-L34 WeakPolarHBondContact O-CD1 3.47Å; K30-L34 PolarHBondContact O-N 2.76Å
31	R	42.1	Very low	40.6	Very low	167 Å²	167	117.8 Å²	117.8	63%	0.63	64%	0.643	S	S	*	*	H	α-helix	trans	-74.8	-32.6	176.2	-72.9	172	-175.1	-154.8	6.4	113.1	E27 V28 E29	E27-R31 VanDerWaalsContact O-CG 3.25Å; E27-R31 WeakPolarHBondContact O-CG 3.37Å; E27-R31 PolarHBondContact O-N 2.91Å; E27-R31 VanDerWaalsContact O-N 3.11Å; E27-R31 IonicContact OE1-CZ 3.11Å; E27-R31 IonicContact OE1-NE 2.62Å; E27-R31 PolarHBondContact OE1-NE 3.02Å; E27-R31 IonicContact OE1-NH2 3.73Å; E27-R31 PolarHBondContact OE1-NH2 3.12Å; V28-R31 PolarHBondContact O-N 2.89Å; V28-R31 VanDerWaalsContact O-N 3.1Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.07Å
32	S	36.5	Very low	38.9	Very low	62 Å²	62	120.8 Å²	120.8	43%	0.434	66%	0.659	S	S	.	*	H	α-helix	trans	-69.8	-41.5	173.7	55.4	0	0	0	0	112	V28 E29 L34 S35	V28-S32 PolarHBondContact O-N 2.82Å; E29-S32 WeakPolarHBondContact CA-OG 3.44Å; E29-S32 PolarHBondContact O-N 2.82Å; E29-S32 PolarHBondContact O-OG 3.03Å; S32-L34 PolarHBondContact O-N 3.06Å; S32-S35 PolarHBondContact O-N 2.99Å; S32-S35 PolarHBondContact O-OG 3.5Å
33	N	34.8	Very low	37.4	Very low	131 Å²	131	122.6 Å²	122.6	70%	0.701	67%	0.669	S	S	*	*	H	α-helix	trans	-71.2	-15.8	179.1	-70.3	-17.8	0	0	0	113.9	E29 S35	E29-N33 PolarHBondContact O-N 3.46Å; N33-S35 VanDerWaalsContact C-N 3.32Å
34	L	36.6	Very low	36.3	Very low	136 Å²	136	123 Å²	123	71%	0.712	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-1.4	174	-95.9	156.2	0	0	0	114.3	K30 S32	K30-L34 HydrophobicContact CG-CD1 4.5Å; K30-L34 WeakPolarHBondContact O-CD1 3.47Å; K30-L34 PolarHBondContact O-N 2.76Å; S32-L34 PolarHBondContact O-N 3.06Å
35	S	35.5	Very low	35.4	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	1.6	175.1	62.4	0	0	0	0	114.6	S32 N33	S32-S35 PolarHBondContact O-N 2.99Å; S32-S35 PolarHBondContact O-OG 3.5Å; N33-S35 VanDerWaalsContact C-N 3.32Å
36	G	34.3	Very low	34.4	Very low	48 Å²	48	132.9 Å²	132.9	50%	0.495	69%	0.69	S	S	.	*	S	Bend	trans	-119.3	139.9	174	0	0	0	0	0	113.1
37	M	28.1	Very low	33.4	Very low	192 Å²	192	139.4 Å²	139.4	95%	0.946	71%	0.709	S	S	*	*			trans	81	123.8	170.3	-57.2	178.8	64.2	0	0	119.1
38	H	30.8	Very low	32.5	Very low	203 Å²	203	142.9 Å²	142.9	94%	0.94	73%	0.729	S	S	*	*			trans	-72	148.9	157.8	-96	19.9	0	0	0	111.1
39	G	26.1	Very low	31.7	Very low	82 Å²	82	143.8 Å²	143.8	85%	0.845	74%	0.735	S	S	*	*			trans	152.2	130.5	168.1	0	0	0	0	0	112.2
40	G	25.8	Very low	30.7	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	75%	0.746	S	S	*	*			trans	-105.9	172.3	-170.4	0	0	0	0	0	116.3
41	R	27.2	Very low	29.7	Very low	237 Å²	237	144.5 Å²	144.5	89%	0.894	76%	0.756	S	S	*	*			trans	133	103.6	163.3	-81.2	-176.9	169.1	173.2	-2.3	113.1
42	I	27.3	Very low	29.1	Very low	153 Å²	153	147.2 Å²	147.2	79%	0.785	77%	0.772	S	S	*	*				29	119.4	117.8	-54.5	169.1	0	0	0	114.6
43	N	26.9	Very low	28.6	Very low	131 Å²	131	149.4 Å²	149.4	70%	0.701	79%	0.788	S	S	*	*				-168.2	164.7	70.6	-145.8	4.6	0	0	0	115.3
44	E	27	Very low	28.2	Very low	122 Å²	122	154.8 Å²	154.8	57%	0.57	80%	0.798	S	S	*	*			trans	18.5	136.6	151.3	-78.9	-167.8	118	0	0	121.1
45	R	29.7	Very low	27.8	Very low	192 Å²	192	157.2 Å²	157.2	73%	0.725	81%	0.806	S	S	*	*			cis	-161	-178.6	29.9	-107.1	150.7	-165.5	165.7	14.2	108.5
46	R	28.7	Very low	27.2	Very low	227 Å²	227	160.6 Å²	160.6	86%	0.857	81%	0.809	S	S	*	*			cis	-139.4	-105.9	12.7	-149.5	166.9	-168.1	173.8	2.3	114
47	K	26.7	Very low	27	Very low	184 Å²	184	166.6 Å²	166.6	80%	0.8	83%	0.828	S	S	*	*			trans	-162.2	153.8	-174.7	-65	178.8	177.5	178.6	0	112.4
48	I	26.7	Very low	27	Very low	176 Å²	176	166.8 Å²	166.8	90%	0.903	82%	0.824	S	S	*	*				-149.4	153.6	124.2	-96	155.6	0	0	0	107.7
49	T	25.2	Very low	26.6	Very low	118 Å²	118	162 Å²	162	72%	0.724	82%	0.82	S	S	*	*			trans	-113.1	143.9	-153.2	-41.9	0	0	0	0	113.3
50	S	25.9	Very low	26.5	Very low	115 Å²	115	163 Å²	163	80%	0.804	82%	0.82	S	S	*	*			trans	-164.3	106.5	138	62.9	0	0	0	0	114.2
51	M	22.8	Very low	26.5	Very low	173 Å²	173	163.8 Å²	163.8	85%	0.852	82%	0.819	S	S	*	*			trans	23	115.3	144	-63.7	174.6	167.4	0	0	120.3
52	F	28.3	Very low	26.4	Very low	223 Å²	223	161 Å²	161	98%	0.978	82%	0.816	S	S	*	*				-151	143.7	120	-96.6	-69.7	0	0	0	110.1
53	S	25.7	Very low	26.4	Very low	109 Å²	109	159.8 Å²	159.8	76%	0.762	82%	0.815	S	S	*	*			trans	-67.1	141.3	-172.2	178.7	0	0	0	0	113.7
54	R	27.2	Very low	26.4	Very low	244 Å²	244	161 Å²	161	92%	0.921	82%	0.822	S	S	*	*			trans	-151.8	139.8	150.9	-109.7	171.7	-162.7	-138.4	-0.3	111.3
55	Q	27.2	Very low	26.7	Very low	187 Å²	187	160.3 Å²	160.3	87%	0.874	83%	0.828	S	S	*	*			trans	-73.9	154.2	-174.4	-67.3	151.6	-66.4	0	0	112.7
56	E	24.6	Very low	26.6	Very low	180 Å²	180	158.3 Å²	158.3	84%	0.841	84%	0.838	S	S	*	*			trans	-72.6	137.6	170.4	-54.7	178.8	134.8	0	0	111.7
57	I	28.9	Very low	26.6	Very low	174 Å²	174	152.3 Å²	152.3	89%	0.892	84%	0.836	S	S	*	*			trans	-137.5	140.5	145.2	-63.7	-171.7	0	0	0	108
58	K	27.4	Very low	26.6	Very low	197 Å²	197	150 Å²	150	86%	0.857	84%	0.838	S	S	*	*			trans	-79.2	166.5	-169.9	-67.6	174.7	177.2	174.9	0	114
59	A	22.5	Very low	26.7	Very low	102 Å²	102	148.1 Å²	148.1	84%	0.843	84%	0.835	S	S	*	*			trans	-103.5	153.2	-178.9	0	0	0	0	0	114.3
60	A	25.9	Very low	26.7	Very low	103 Å²	103	147.3 Å²	147.3	85%	0.851	84%	0.84	S	S	*	*			trans	172.5	152.2	155.3	0	0	0	0	0	107.5
61	A	25.8	Very low	26.9	Very low	93 Å²	93	149.1 Å²	149.1	77%	0.769	84%	0.839	S	S	*	*			cis	-162.4	178.6	-18.2	0	0	0	0	0	108.6
62	H	23.8	Very low	27.2	Very low	179 Å²	179	144.5 Å²	144.5	83%	0.829	83%	0.829	S	S	*	*			trans	-35.8	157.9	174.8	-69.1	-82.6	0	0	0	117.3
63	T	26.8	Very low	27.4	Very low	126 Å²	126	143.7 Å²	143.7	77%	0.773	83%	0.825	S	S	*	*			cis	-161	141.1	47.6	47	0	0	0	0	115.7
64	D	26.9	Very low	28	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	82%	0.816	S	S	*	*			trans	50.3	160.9	136.5	-90.9	-1.5	0	0	0	124.9
65	P	34.5	Very low	28.7	Very low	108 Å²	108	138.4 Å²	138.4	70%	0.701	80%	0.801	S	S	*	*			trans	-116.1	160.5	-133.6	41.7	-35.1	0	0	0	116
66	T	26.7	Very low	29.5	Very low	150 Å²	150	137.6 Å²	137.6	92%	0.92	80%	0.797	S	S	*	*			trans	-151.5	146.1	153.6	-17.5	0	0	0	0	110.3
67	A	28.9	Very low	30.6	Very low	100 Å²	100	130.7 Å²	130.7	83%	0.826	77%	0.767	S	S	*	*			trans	-79.8	128.6	-165.6	0	0	0	0	0	113.7
68	T	27.6	Very low	31.5	Very low	135 Å²	135	126.2 Å²	126.2	83%	0.828	75%	0.749	S	S	*	*			trans	-143.3	134.1	151.1	-30.1	0	0	0	0	109.8	A70	T68-A70 PolarHBondContact O-N 2.95Å
69	T	27.6	Very low	32	Very low	138 Å²	138	122.3 Å²	122.3	85%	0.847	74%	0.742	S	S	*	*			trans	-61.9	112.6	-174.9	11.9	0	0	0	0	112.1	I71	T69-I71 PolarHBondContact O-N 3.25Å; T69-I71 VanDerWaalsContact O-N 3.15Å
70	A	26.2	Very low	32.8	Very low	100 Å²	100	121.9 Å²	121.9	83%	0.826	73%	0.732	S	S	*	*			trans	-69.7	109.6	177.6	0	0	0	0	0	111	T68 A72	T68-A70 PolarHBondContact O-N 2.95Å; A70-A72 PolarHBondContact O-N 2.98Å
71	I	29.7	Very low	33	Very low	153 Å²	153	123 Å²	123	79%	0.785	72%	0.724	S	S	*	*			trans	-59	122.7	167.6	-63.1	172.2	0	0	0	108.1	T69 K73	T69-I71 PolarHBondContact O-N 3.25Å; T69-I71 VanDerWaalsContact O-N 3.15Å; I71-K73 PolarHBondContact O-N 3.31Å
72	A	30	Very low	33.7	Very low	77 Å²	77	122.4 Å²	122.4	64%	0.636	71%	0.714	S	S	*	*			trans	-57	122.8	178.3	0	0	0	0	0	110.2	A70 Y74	A70-A72 PolarHBondContact O-N 2.98Å; A72-Y74 PolarHBondContact O-N 3.31Å
73	K	32.6	Very low	34.1	Very low	206 Å²	206	121 Å²	121	90%	0.896	72%	0.718	S	S	*	*			trans	-67.7	95	178	-73.8	-178.8	177.6	176.4	0	109.7	I71	I71-K73 PolarHBondContact O-N 3.31Å
74	Y	37.8	Very low	34.3	Very low	150 Å²	150	118.7 Å²	118.7	59%	0.588	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.8	133.1	162.3	-69	-85.1	0	0	0	108.7	A72 H76	A72-Y74 PolarHBondContact O-N 3.31Å; Y74-H76 PolarHBondContact O-N 3.09Å; Y74-H76 VanDerWaalsContact O-N 3.1Å
75	P	42.3	Very low	34.7	Very low	91 Å²	91	121.4 Å²	121.4	59%	0.591	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.2	166.2	25.2	-30.8	0	0	0	107.3	T345	P75-T345 HydrophobicContact CG-CG2 4Å
76	H	43.1	Very low	34.7	Very low	171 Å²	171	123.4 Å²	123.4	79%	0.792	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-51.9	140.2	-179.2	-69.5	-79.9	0	0	0	110.1	Y74	Y74-H76 PolarHBondContact O-N 3.09Å; Y74-H76 VanDerWaalsContact O-N 3.1Å
77	P	48.5	Very low	35.3	Very low	34 Å²	34	121 Å²	121	22%	0.221	70%	0.695	C	S	.	*	P	Polyproline II helix	trans	-55.5	149.2	168.1	26.8	-34	0	0	0	108.6	T79	P77-T79 PolarHBondContact O-N 3.04Å
78	P	47.9	Very low	36.2	Very low	80 Å²	80	120 Å²	120	52%	0.519	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-53.7	122.2	176	23.2	-32.9	0	0	0	109	C80	P78-C80 PolarHBondContact O-N 3.18Å
79	T	37.1	Very low	37.6	Very low	115 Å²	115	119 Å²	119	71%	0.706	67%	0.672	S	S	*	*			trans	-68.2	96.5	-174.9	32.7	0	0	0	0	110.5	P77 N81	P77-T79 PolarHBondContact O-N 3.04Å; T79-N81 PolarHBondContact O-N 2.91Å
80	C	39.7	Very low	40	Very low	93 Å²	93	118 Å²	118	63%	0.628	67%	0.67	S	S	*	*			trans	-68.5	88.3	155.4	-81.3	0	0	0	0	107.9	P78 S82	P78-C80 PolarHBondContact O-N 3.18Å; C80-S82 PolarHBondContact O-N 3.36Å
81	N	29.4	Very low	43.2	Very low	128 Å²	128	116.2 Å²	116.2	68%	0.684	64%	0.642	S	S	*	*			trans	-59.3	101.7	170.5	-78.8	-1.9	0	0	0	108.9	T79	T79-N81 PolarHBondContact O-N 2.91Å
82	S	39.9	Very low	46.3	Very low	80 Å²	80	112.4 Å²	112.4	56%	0.559	63%	0.633	S	S	*	*			trans	-116.7	53.8	-173.5	176.2	0	0	0	0	111	C80	C80-S82 PolarHBondContact O-N 3.36Å
83	T	33.1	Very low	49.5	Very low	148 Å²	148	111.1 Å²	111.1	91%	0.908	61%	0.613	S	S	*	*	S	Bend	trans	-100	-0.4	162.8	41.8	0	0	0	0	112.7
84	T	31.1	Very low	52.7	Low	78 Å²	78	104.3 Å²	104.3	48%	0.479	59%	0.587	S	S	.	*	S	Bend	trans	-106.1	136.3	163.7	44	0	0	0	0	109.3	H86	T84-H86 PolarHBondContact O-N 3.08Å; T84-H86 PolarHBondContact OG1-CD2 3.17Å; T84-H86 PolarHBondContact OG1-NE2 3.41Å; T84-H86 VanDerWaalsContact OG1-NE2 3.1Å
85	K	34.3	Very low	55.5	Low	215 Å²	215	101.5 Å²	101.5	94%	0.935	58%	0.578	S	S	*	*			trans	-67.8	82.8	162.5	-75.9	-176.9	175.7	-178.9	0	108.1	P87	K85-P87 WeakPolarHBondContact O-CD 3.35Å
86	H	35.2	Very low	58.2	Low	150 Å²	150	102.6 Å²	102.6	69%	0.694	58%	0.583	S	S	*	*			trans	-66.4	122.2	169.7	-88.1	-71.2	0	0	0	108.7	T84	T84-H86 PolarHBondContact O-N 3.08Å; T84-H86 PolarHBondContact OG1-CD2 3.17Å; T84-H86 PolarHBondContact OG1-NE2 3.41Å; T84-H86 VanDerWaalsContact OG1-NE2 3.1Å
87	P	38.5	Very low	60.8	Low	98 Å²	98	96.3 Å²	96.3	64%	0.636	56%	0.555	S	S	*	*			trans	-67.9	140.3	177.4	29.9	-34.9	0	0	0	109.4	K85 N89	K85-P87 WeakPolarHBondContact O-CD 3.35Å; P87-N89 HydrophobicContact CB-CB 4.34Å; P87-N89 PolarHBondContact O-N 2.88Å
88	S	49.3	Very low	63.2	Low	79 Å²	79	95.2 Å²	95.2	55%	0.552	55%	0.548	S	S	*	.	S	Bend	trans	-73.4	42.5	-179.1	46.2	0	0	0	0	113	R380	S88-R380 PolarHBondContact O-NH1 2.69Å; S88-R380 PolarHBondContact O-NH2 2.71Å; S88-R380 PolarHBondContact OG-NH2 3.18Å
89	N	56.5	Low	65.5	Low	116 Å²	116	94.4 Å²	94.4	62%	0.62	54%	0.539	S	S	*	.			trans	-134.4	24.5	-156.1	-94.2	-4.7	0	0	0	117.2	P87 R380	P87-N89 HydrophobicContact CB-CB 4.34Å; P87-N89 PolarHBondContact O-N 2.88Å; N89-R380 VanDerWaalsContact OD1-CZ 3.26Å; N89-R380 PolarHBondContact OD1-NH1 3.21Å; N89-R380 PolarHBondContact OD1-NH2 2.67Å
90	S	76.7	Confident	68.4	Low	115 Å²	115	93.2 Å²	93.2	80%	0.804	53%	0.528	S	S	*	.			trans	-129.9	5.4	175	64.9	0	0	0	0	116.4
91	W	93.4	Very high	71.1	Confident	63 Å²	63	89.4 Å²	89.4	24%	0.239	50%	0.501	C	S	.	.			trans	-75.8	126.9	166.6	-174.4	84.2	0	0	0	110.1	F93 E314 H364 L369 R370	W91-F93 HydrophobicContact CH2-CB 3.62Å; W91-F93 HydrophobicContact CH2-CD2 4.08Å; W91-F93 HydrophobicContact CH2-CG 4.24Å; W91-F93 HydrophobicContact CZ2-CB 4.34Å; W91-F93 HydrophobicContact CZ2-CD2 4.35Å; W91-F93 HydrophobicContact CZ3-CB 4.03Å; W91-E314 HydrophobicContact CH2-CG 4.46Å; W91-E314 VanDerWaalsContact CH2-OE1 3.32Å; W91-E314 WeakPolarHBondContact CH2-OE1 3.42Å; W91-E314 WeakPolarHBondContact CZ3-OE1 3.38Å; W91-H364 AromaticContact CD1-CE1 3.15Å; W91-H364 AromaticContact CD1-ND1 3.23Å; W91-H364 VanDerWaalsContact CD1-O 3.26Å; W91-H364 AromaticContact CG-CE1 3.73Å; W91-H364 AromaticContact NE1-CE1 3.73Å; W91-H364 AromaticContact NE1-ND1 3.31Å; W91-H364 PolarHBondContact NE1-ND1 3.37Å; W91-H364 PolarHBondContact NE1-O 3.15Å; W91-H364 VanDerWaalsContact NE1-O 3.09Å; W91-L369 VanDerWaalsContact CZ2-C 3.45Å; W91-L369 WeakPolarHBondContact CZ2-O 3.37Å; W91-L369 PolarHBondContact NE1-O 3.07Å; W91-R370 HydrophobicContact CD2-CB 4.21Å; W91-R370 HydrophobicContact CD2-CG 4Å; W91-R370 HydrophobicContact CE3-CB 4.34Å; W91-R370 HydrophobicContact CE3-CG 4.12Å; W91-R370 HydrophobicContact CG-CG 4.49Å; W91-R370 HydrophobicContact CH2-CB 3.87Å; W91-R370 HydrophobicContact CZ2-CB 3.75Å; W91-R370 HydrophobicContact CZ2-CG 4.45Å; W91-R370 HydrophobicContact CZ3-CB 4.16Å; W91-R370 HydrophobicContact CZ3-CG 4.37Å
92	A	96.1	Very high	74.3	Confident	73 Å²	73	85 Å²	85	60%	0.603	48%	0.475	S	S	*	.			trans	-130.4	141.3	175.1	0	0	0	0	0	110	N94 G367	A92-N94 PolarHBondContact O-N 3.26Å; A92-G367 VanDerWaalsContact O-CA 3.32Å; A92-G367 WeakPolarHBondContact O-CA 3.48Å
93	F	97.8	Very high	76.9	Confident	50 Å²	50	87.9 Å²	87.9	22%	0.219	48%	0.477	C	S	.	.			trans	-72.6	114.4	-178.1	179.2	-131.5	0	0	0	111.9	W91 K95 E313 E314 G367	W91-F93 HydrophobicContact CH2-CB 3.62Å; W91-F93 HydrophobicContact CH2-CD2 4.08Å; W91-F93 HydrophobicContact CH2-CG 4.24Å; W91-F93 HydrophobicContact CZ2-CB 4.34Å; W91-F93 HydrophobicContact CZ2-CD2 4.35Å; W91-F93 HydrophobicContact CZ3-CB 4.03Å; F93-K95 HydrophobicContact CD1-CB 4.08Å; F93-K95 HydrophobicContact CE1-CB 3.7Å; F93-K95 HydrophobicContact CE1-CD 4.33Å; F93-K95 HydrophobicContact CE1-CG 3.97Å; F93-K95 HydrophobicContact CZ-CB 4.22Å; F93-K95 HydrophobicContact CZ-CG 4.47Å; F93-K95 PolarHBondContact O-N 3.13Å; F93-K95 VanDerWaalsContact O-N 3.13Å; F93-E313 HydrophobicContact CE1-CG 4.16Å; F93-E313 HydrophobicContact CZ-CG 4.39Å; F93-E313 VanDerWaalsContact CZ-O 3.3Å; F93-E313 WeakPolarHBondContact CZ-O 3.32Å; F93-E314 HydrophobicContact CD1-CB 4.27Å; F93-E314 HydrophobicContact CD1-CG 4.19Å; F93-E314 HydrophobicContact CD2-CB 4.43Å; F93-E314 HydrophobicContact CD2-CG 3.89Å; F93-E314 HydrophobicContact CE1-CB 3.99Å; F93-E314 HydrophobicContact CE1-CG 4.34Å; F93-E314 HydrophobicContact CE2-CB 4.16Å; F93-E314 HydrophobicContact CE2-CG 4.07Å; F93-E314 HydrophobicContact CG-CG 3.97Å; F93-E314 HydrophobicContact CZ-CB 3.94Å; F93-E314 HydrophobicContact CZ-CG 4.3Å; F93-G367 WeakPolarHBondContact CD2-O 3.44Å
94	N	98.1	Very high	80	Confident	64 Å²	64	82.7 Å²	82.7	34%	0.342	44%	0.444	S	S	.	.			trans	-86.6	78.7	175.3	-171.9	-16.1	0	0	0	110.1	A92 T96 L97 S98 Q366 G367	A92-N94 PolarHBondContact O-N 3.26Å; N94-T96 PolarHBondContact O-N 2.96Å; N94-L97 HydrophobicContact CB-CB 4.14Å; N94-L97 VanDerWaalsContact CG-CB 3.46Å; N94-L97 PolarHBondContact O-N 3.37Å; N94-L97 VanDerWaalsContact O-N 3.1Å; N94-L97 WeakPolarHBondContact OD1-CB 3.23Å; N94-L97 PolarHBondContact OD1-N 2.8Å; N94-S98 PolarHBondContact O-N 3.01Å; N94-Q366 VanDerWaalsContact CB-O 3.24Å; N94-Q366 WeakPolarHBondContact CB-O 3.35Å; N94-Q366 PolarHBondContact ND2-O 3.22Å; N94-Q366 VanDerWaalsContact ND2-O 3.11Å; N94-G367 PolarHBondContact N-O 3.32Å
95	K	97.9	Very high	83.1	Confident	91 Å²	91	79 Å²	79	40%	0.396	42%	0.421	S	S	.	.	H	α-helix	trans	-53.9	-37	-179.8	-173.6	164.2	-179.2	155.4	0	113	F93 S98 N99 E313	F93-K95 HydrophobicContact CD1-CB 4.08Å; F93-K95 HydrophobicContact CE1-CB 3.7Å; F93-K95 HydrophobicContact CE1-CD 4.33Å; F93-K95 HydrophobicContact CE1-CG 3.97Å; F93-K95 HydrophobicContact CZ-CB 4.22Å; F93-K95 HydrophobicContact CZ-CG 4.47Å; F93-K95 PolarHBondContact O-N 3.13Å; F93-K95 VanDerWaalsContact O-N 3.13Å; K95-S98 PolarHBondContact O-N 2.96Å; K95-N99 WeakPolarHBondContact O-CB 3.45Å; K95-N99 PolarHBondContact O-N 2.9Å; K95-N99 PolarHBondContact O-ND2 3.43Å; K95-E313 VanDerWaalsContact CE-CD 3.49Å; K95-E313 WeakPolarHBondContact CE-OE1 3.09Å; K95-E313 IonicContact NZ-OE1 2.65Å; K95-E313 PolarHBondContact NZ-OE1 3.2Å; K95-E313 IonicContact NZ-OE2 2.79Å; K95-E313 PolarHBondContact NZ-OE2 3.17Å
96	T	98.3	Very high	85.9	Confident	114 Å²	114	72.8 Å²	72.8	70%	0.699	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-46.1	177.3	-56.1	0	0	0	0	111.8	N94 N99 L100	N94-T96 PolarHBondContact O-N 2.96Å; T96-N99 PolarHBondContact O-N 3.44Å; T96-L100 PolarHBondContact O-N 3.37Å
97	L	98.2	Very high	88.8	Confident	39 Å²	39	74.5 Å²	74.5	20%	0.204	40%	0.398	C	S	.	.	H	α-helix	trans	-69.1	-40.7	177.4	-178.9	58.5	0	0	0	112.2	N94 N99 L100 I101 Q366 A368	N94-L97 HydrophobicContact CB-CB 4.14Å; N94-L97 VanDerWaalsContact CG-CB 3.46Å; N94-L97 PolarHBondContact O-N 3.37Å; N94-L97 VanDerWaalsContact O-N 3.1Å; N94-L97 WeakPolarHBondContact OD1-CB 3.23Å; N94-L97 PolarHBondContact OD1-N 2.8Å; L97-N99 VanDerWaalsContact C-N 3.33Å; L97-N99 PolarHBondContact O-N 2.75Å; L97-L100 HydrophobicContact CD1-CD2 4.44Å; L97-L100 PolarHBondContact O-N 3.23Å; L97-I101 HydrophobicContact CD1-CD1 4.15Å; L97-I101 HydrophobicContact CD1-CG1 4.37Å; L97-I101 HydrophobicContact CG-CD1 3.97Å; L97-I101 WeakPolarHBondContact O-CG1 3.34Å; L97-I101 PolarHBondContact O-N 3.18Å; L97-Q366 HydrophobicContact CD2-CB 3.53Å; L97-Q366 HydrophobicContact CD2-CG 4.47Å; L97-A368 HydrophobicContact CD2-CB 3.88Å; L97-A368 HydrophobicContact CG-CB 4Å
98	S	97.9	Very high	91.5	Very high	10 Å²	10	72.6 Å²	72.6	7%	0.07	38%	0.38	C	S	.	.	H	α-helix	trans	-57	-45.9	172.8	175.8	0	0	0	0	111.5	N94 K95 L100 I101 R102 E313	N94-S98 PolarHBondContact O-N 3.01Å; K95-S98 PolarHBondContact O-N 2.96Å; S98-L100 PolarHBondContact O-N 2.95Å; S98-I101 PolarHBondContact O-N 3.19Å; S98-R102 WeakPolarHBondContact O-CB 3.37Å; S98-R102 PolarHBondContact O-N 2.78Å; S98-E313 PolarHBondContact OG-O 2.9Å; S98-E313 VanDerWaalsContact OG-O 3.12Å
99	N	97.5	Very high	93.6	Very high	63 Å²	63	68.9 Å²	68.9	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-38.4	176.3	-72.4	-16.4	0	0	0	112.9	K95 T96 L97 R102 K103	K95-N99 WeakPolarHBondContact O-CB 3.45Å; K95-N99 PolarHBondContact O-N 2.9Å; K95-N99 PolarHBondContact O-ND2 3.43Å; T96-N99 PolarHBondContact O-N 3.44Å; L97-N99 VanDerWaalsContact C-N 3.33Å; L97-N99 PolarHBondContact O-N 2.75Å; N99-R102 PolarHBondContact OD1-NH1 2.64Å; N99-K103 WeakPolarHBondContact O-CB 3.24Å; N99-K103 PolarHBondContact O-N 3.5Å
100	L	97.5	Very high	95.2	Very high	91 Å²	91	65.1 Å²	65.1	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-45.3	175	178.6	60.7	0	0	0	111.6	T96 L97 S98 K103 N104	T96-L100 PolarHBondContact O-N 3.37Å; L97-L100 HydrophobicContact CD1-CD2 4.44Å; L97-L100 PolarHBondContact O-N 3.23Å; S98-L100 PolarHBondContact O-N 2.95Å; L100-K103 PolarHBondContact O-N 2.96Å; L100-N104 VanDerWaalsContact O-CG 3.3Å; L100-N104 PolarHBondContact O-N 2.97Å
101	I	97.4	Very high	95.4	Very high	12 Å²	12	60 Å²	60	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-48.7	175.6	-72.4	163.5	0	0	0	110.3	L97 S98 K103 N104 I105 T309 L363 A368	L97-I101 HydrophobicContact CD1-CD1 4.15Å; L97-I101 HydrophobicContact CD1-CG1 4.37Å; L97-I101 HydrophobicContact CG-CD1 3.97Å; L97-I101 WeakPolarHBondContact O-CG1 3.34Å; L97-I101 PolarHBondContact O-N 3.18Å; S98-I101 PolarHBondContact O-N 3.19Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 3.06Å; I101-N104 PolarHBondContact O-N 2.02Å; I101-N104 VanDerWaalsContact O-N 3.13Å; I101-I105 HydrophobicContact CG2-CD1 3.62Å; I101-I105 HydrophobicContact CG2-CG1 4.4Å; I101-I105 WeakPolarHBondContact O-CG1 3.5Å; I101-I105 PolarHBondContact O-N 3.08Å; I101-T309 HydrophobicContact CG2-CG2 4.22Å; I101-L363 HydrophobicContact CD1-CD2 3.82Å; I101-A368 HydrophobicContact CD1-CB 3.63Å
102	R	95.5	Very high	95.2	Very high	35 Å²	35	60.2 Å²	60.2	13%	0.132	30%	0.301	C	S	.	.	H	α-helix	trans	-53.8	-45.8	174.8	178.9	-179.1	-58.2	121.1	21.1	112.2	S98 N99 L106 T309 R310 C312 E313	S98-R102 WeakPolarHBondContact O-CB 3.37Å; S98-R102 PolarHBondContact O-N 2.78Å; N99-R102 PolarHBondContact OD1-NH1 2.64Å; R102-L106 PolarHBondContact O-N 3.09Å; R102-L106 VanDerWaalsContact O-N 3.15Å; R102-T309 WeakPolarHBondContact CD-O 3.44Å; R102-T309 VanDerWaalsContact CG-O 3.23Å; R102-T309 WeakPolarHBondContact CG-O 3.44Å; R102-T309 PolarHBondContact NE-O 3.17Å; R102-R310 VanDerWaalsContact CG-NH1 3.28Å; R102-C312 PolarHBondContact NH2-O 3.14Å; R102-E313 PolarHBondContact NH2-O 3.32Å; R102-E313 VanDerWaalsContact NH2-O 3.16Å
103	K	95.6	Very high	94.8	Very high	142 Å²	142	65.3 Å²	65.3	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-66.8	-36	178.8	-174.3	175.8	-178.2	176.7	0	112.4	N99 L100 I101	N99-K103 WeakPolarHBondContact O-CB 3.24Å; N99-K103 PolarHBondContact O-N 3.5Å; L100-K103 PolarHBondContact O-N 2.96Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 3.06Å
104	N	96.3	Very high	94.7	Very high	39 Å²	39	63 Å²	63	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-72.6	-42.1	177.1	-70.9	-16.6	0	0	0	111.8	L100 I101 L106 R107 F108 Y287	L100-N104 VanDerWaalsContact O-CG 3.3Å; L100-N104 PolarHBondContact O-N 2.97Å; I101-N104 PolarHBondContact O-N 2.02Å; I101-N104 VanDerWaalsContact O-N 3.13Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.16Å; N104-R107 WeakPolarHBondContact O-CB 3.2Å; N104-R107 PolarHBondContact O-N 2.85Å; N104-F108 WeakPolarHBondContact O-CD2 3.42Å; N104-Y287 HydrophobicContact CB-CE2 4.02Å
105	I	96.4	Very high	94.5	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-36.8	177.1	-71.5	170.2	0	0	0	111.7	I101 R107 F108 L109 Y287 T306 T309 R310	I101-I105 HydrophobicContact CG2-CD1 3.62Å; I101-I105 HydrophobicContact CG2-CG1 4.4Å; I101-I105 WeakPolarHBondContact O-CG1 3.5Å; I101-I105 PolarHBondContact O-N 3.08Å; I105-R107 PolarHBondContact O-N 3.06Å; I105-R107 VanDerWaalsContact O-N 3.08Å; I105-F108 PolarHBondContact O-N 3.21Å; I105-L109 HydrophobicContact CG2-CD1 4.07Å; I105-L109 HydrophobicContact CG2-CD2 3.84Å; I105-L109 HydrophobicContact CG2-CG 3.71Å; I105-L109 PolarHBondContact O-N 3Å; I105-Y287 HydrophobicContact CB-CD2 4.48Å; I105-Y287 HydrophobicContact CB-CE2 4.44Å; I105-Y287 HydrophobicContact CD1-CD1 4.46Å; I105-Y287 HydrophobicContact CD1-CE1 3.94Å; I105-Y287 HydrophobicContact CD1-CE2 4.4Å; I105-Y287 HydrophobicContact CG1-CD1 3.94Å; I105-Y287 HydrophobicContact CG1-CD2 3.7Å; I105-Y287 HydrophobicContact CG1-CE1 3.68Å; I105-Y287 HydrophobicContact CG1-CE2 3.41Å; I105-Y287 VanDerWaalsContact CG1-CE2 3.41Å; I105-Y287 HydrophobicContact CG1-CG 3.96Å; I105-Y287 VanDerWaalsContact CG1-CZ 3.41Å; I105-T306 HydrophobicContact CD1-CG2 3.89Å; I105-T306 HydrophobicContact CG1-CG2 4.22Å; I105-T306 HydrophobicContact CG2-CG2 4.09Å; I105-T309 HydrophobicContact CD1-CG2 3.66Å; I105-T309 WeakPolarHBondContact CD1-OG1 3.13Å; I105-R310 HydrophobicContact CG2-CG 4.02Å
106	L	94.9	Very high	94.4	Very high	85 Å²	85	55.7 Å²	55.7	45%	0.445	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.5	176.3	-179.8	54.9	0	0	0	113.8	R102 N104 F108 L109	R102-L106 PolarHBondContact O-N 3.09Å; R102-L106 VanDerWaalsContact O-N 3.15Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.16Å; L106-F108 PolarHBondContact O-N 3.18Å; L106-L109 WeakPolarHBondContact CA-O 3.33Å
107	R	95.1	Very high	94.4	Very high	186 Å²	186	51 Å²	51	70%	0.702	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.5	175	-59.9	177.1	176.3	173.6	-3.2	113.3	N104 I105	N104-R107 WeakPolarHBondContact O-CB 3.2Å; N104-R107 PolarHBondContact O-N 2.85Å; I105-R107 PolarHBondContact O-N 3.06Å; I105-R107 VanDerWaalsContact O-N 3.08Å
108	F	95.2	Very high	94.3	Very high	57 Å²	57	51.6 Å²	51.6	25%	0.25	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-48.3	-177.3	-63.8	-97.1	0	0	0	111.4	N104 I105 L106 R279 A283 Y287 T290	N104-F108 WeakPolarHBondContact O-CD2 3.42Å; I105-F108 PolarHBondContact O-N 3.21Å; L106-F108 PolarHBondContact O-N 3.18Å; F108-R279 PolarHBondContact O-NH1 3.01Å; F108-A283 HydrophobicContact CB-CB 4.31Å; F108-A283 WeakPolarHBondContact O-CB 3.26Å; F108-Y287 AromaticContact CD2-CD2 3.83Å; F108-Y287 HydrophobicContact CD2-CD2 3.83Å; F108-Y287 HydrophobicContact CD2-CG 4.34Å; F108-Y287 AromaticContact CE2-CD2 3.87Å; F108-Y287 HydrophobicContact CE2-CD2 3.87Å; F108-T290 HydrophobicContact CZ-CG2 4.27Å
109	L	93.2	Very high	94.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	25%	0.246	C	C	.	.			trans	-132.2	147.2	-175.5	74.1	92	0	0	0	113.1	I105 L106 D114 L280 A283 V284 T306 R310	I105-L109 HydrophobicContact CG2-CD1 4.07Å; I105-L109 HydrophobicContact CG2-CD2 3.84Å; I105-L109 HydrophobicContact CG2-CG 3.71Å; I105-L109 PolarHBondContact O-N 3Å; L106-L109 WeakPolarHBondContact CA-O 3.33Å; L109-D114 VanDerWaalsContact CA-OD2 3.27Å; L109-D114 WeakPolarHBondContact CA-OD2 3.33Å; L109-D114 WeakPolarHBondContact CB-OD2 3.48Å; L109-L280 HydrophobicContact CD2-CD1 4.38Å; L109-A283 HydrophobicContact CB-CB 4.11Å; L109-V284 HydrophobicContact CD2-CG2 3.4Å; L109-T306 HydrophobicContact CD2-CG2 3.95Å; L109-R310 HydrophobicContact CD1-CG 4.02Å
110	D	89.8	Confident	93.9	Very high	38 Å²	38	54.5 Å²	54.5	20%	0.203	26%	0.26	C	S	.	.			trans	-120.6	112.8	174.4	174.8	1.6	0	0	0	107.1	E112 R113 D114	D110-E112 PolarHBondContact O-N 3.22Å; D110-E112 PolarHBondContact OD1-N 3.37Å; D110-R113 HydrophobicContact CB-CB 4.35Å; D110-R113 HydrophobicContact CB-CG 4.38Å; D110-R113 PolarHBondContact O-N 3.42Å; D110-R113 VanDerWaalsContact O-N 3.09Å; D110-R113 VanDerWaalsContact OD2-CD 3.24Å; D110-R113 WeakPolarHBondContact OD2-CD 3.35Å; D110-R113 WeakPolarHBondContact OD2-CG 3.4Å; D110-R113 IonicContact OD2-NE 3.06Å; D110-R113 PolarHBondContact OD2-NE 3.05Å; D110-D114 PolarHBondContact N-OD2 3.19Å; D110-D114 WeakPolarHBondContact O-CB 3.37Å; D110-D114 VanDerWaalsContact O-CG 3.31Å; D110-D114 PolarHBondContact O-N 3.15Å
111	P	81.9	Confident	93.7	Very high	7 Å²	7	55 Å²	55	5%	0.045	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-30.4	-172.3	32.1	-40.5	0	0	0	111.7	R113 I115 R310 F311	P111-R113 VanDerWaalsContact C-N 3.28Å; P111-R113 PolarHBondContact O-N 3.14Å; P111-I115 VanDerWaalsContact O-CB 3.28Å; P111-I115 WeakPolarHBondContact O-CB 3.45Å; P111-I115 WeakPolarHBondContact O-CG2 3.37Å; P111-I115 PolarHBondContact O-N 2.57Å; P111-I115 VanDerWaalsContact O-N 3.08Å; P111-R310 HydrophobicContact CB-CB 4.09Å; P111-R310 HydrophobicContact CG-CB 3.5Å; P111-R310 VanDerWaalsContact CG-CB 3.5Å; P111-R310 HydrophobicContact CG-CG 4.36Å; P111-F311 HydrophobicContact CB-CD1 4.19Å
112	E	87.9	Confident	93.6	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-36.1	-179.7	-64.6	-159.3	174.1	0	0	110.9	D110 S152 K155 N156	D110-E112 PolarHBondContact O-N 3.22Å; D110-E112 PolarHBondContact OD1-N 3.37Å; E112-S152 WeakPolarHBondContact CA-OG 3.27Å; E112-S152 WeakPolarHBondContact O-CB 3.34Å; E112-S152 PolarHBondContact O-OG 3.41Å; E112-K155 WeakPolarHBondContact OE1-CA 3.37Å; E112-N156 PolarHBondContact OE1-N 2.93Å
113	R	89.6	Confident	93.6	Very high	181 Å²	181	60.5 Å²	60.5	68%	0.683	29%	0.292	S	S	*	.	H	α-helix	trans	-89.8	-29	-179.5	-60.2	178.5	-170.5	-145.6	-6.6	113.7	D110 P111	D110-R113 HydrophobicContact CB-CB 4.35Å; D110-R113 HydrophobicContact CB-CG 4.38Å; D110-R113 PolarHBondContact O-N 3.42Å; D110-R113 VanDerWaalsContact O-N 3.09Å; D110-R113 VanDerWaalsContact OD2-CD 3.24Å; D110-R113 WeakPolarHBondContact OD2-CD 3.35Å; D110-R113 WeakPolarHBondContact OD2-CG 3.4Å; D110-R113 IonicContact OD2-NE 3.06Å; D110-R113 PolarHBondContact OD2-NE 3.05Å; P111-R113 VanDerWaalsContact C-N 3.28Å; P111-R113 PolarHBondContact O-N 3.14Å
114	D	93.8	Very high	93.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-101.7	-21.4	-168.3	-61	-39.1	0	0	0	114.1	L109 D110 S116 S277 R279 L280	L109-D114 VanDerWaalsContact CA-OD2 3.27Å; L109-D114 WeakPolarHBondContact CA-OD2 3.33Å; L109-D114 WeakPolarHBondContact CB-OD2 3.48Å; D110-D114 PolarHBondContact N-OD2 3.19Å; D110-D114 WeakPolarHBondContact O-CB 3.37Å; D110-D114 VanDerWaalsContact O-CG 3.31Å; D110-D114 PolarHBondContact O-N 3.15Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 PolarHBondContact O-N 3.41Å; D114-S277 PolarHBondContact O-N 2.94Å; D114-R279 IonicContact OD1-CZ 2.72Å; D114-R279 IonicContact OD1-NE 3.63Å; D114-R279 PolarHBondContact OD1-NE 3.45Å; D114-R279 IonicContact OD1-NH2 3.35Å; D114-R279 PolarHBondContact OD1-NH2 2.69Å; D114-R279 IonicContact OD2-CZ 3.65Å; D114-R279 IonicContact OD2-NE 3.69Å; D114-R279 IonicContact OD2-NH2 3.82Å; D114-R279 PolarHBondContact OD2-NH2 3.21Å; D114-L280 HydrophobicContact CB-CB 4.29Å; D114-L280 HydrophobicContact CB-CD1 3.88Å
115	I	94.8	Very high	93.8	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.292	C	S	.	.	S	Bend	trans	-64.7	-36.5	177.7	-167.5	168.8	0	0	0	112.3	P111 S152 M154 L207 W244 A274 P276 M307	P111-I115 VanDerWaalsContact O-CB 3.28Å; P111-I115 WeakPolarHBondContact O-CB 3.45Å; P111-I115 WeakPolarHBondContact O-CG2 3.37Å; P111-I115 PolarHBondContact O-N 2.57Å; P111-I115 VanDerWaalsContact O-N 3.08Å; I115-S152 WeakPolarHBondContact CG2-OG 3.29Å; I115-M154 HydrophobicContact CB-CG 4.34Å; I115-M154 HydrophobicContact CD1-CG 3.32Å; I115-M154 HydrophobicContact CD1-SD 3.99Å; I115-M154 HydrophobicContact CG1-CG 4.39Å; I115-M154 HydrophobicContact CG2-CB 4.39Å; I115-M154 HydrophobicContact CG2-CG 4Å; I115-L207 HydrophobicContact CD1-CD1 3.74Å; I115-W244 PolarHBondContact O-NE1 3.08Å; I115-A274 HydrophobicContact CG1-CB 4.47Å; I115-P276 WeakPolarHBondContact O-CA 3.33Å; I115-M307 HydrophobicContact CB-CE 4.08Å; I115-M307 HydrophobicContact CD1-CE 4Å; I115-M307 HydrophobicContact CG1-CE 3.66Å
116	S	96.8	Very high	93.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	31%	0.307	C	S	.	.			trans	-145.4	138.6	176.2	-162.8	0	0	0	0	112.2	D114 P149 A274 F275	D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 PolarHBondContact O-N 3.41Å; S116-P149 WeakPolarHBondContact OG-CD 3.47Å; S116-P149 VanDerWaalsContact OG-CG 3.26Å; S116-P149 WeakPolarHBondContact OG-CG 3.49Å; S116-A274 WeakPolarHBondContact OG-CA 3.5Å; S116-F275 CarbonylContact C-O 3.37Å; S116-F275 WeakPolarHBondContact CA-O 3.22Å; S116-F275 PolarHBondContact OG-N 2.88Å
117	I	96.7	Very high	94	Very high	16 Å²	16	60.6 Å²	60.6	8%	0.082	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-57	139.8	152.8	-56.9	171.2	0	0	0	107.5	T121 L122 L148 F248 F275	I117-T121 HydrophobicContact CG2-CG2 4.39Å; I117-L122 HydrophobicContact CD1-CD1 4.09Å; I117-L122 HydrophobicContact CG2-CD1 3.82Å; I117-L122 HydrophobicContact CG2-CG 4.07Å; I117-L148 HydrophobicContact CB-CD2 4.27Å; I117-L148 HydrophobicContact CG2-CD2 4.35Å; I117-F248 HydrophobicContact CD1-CD2 4.19Å; I117-F248 HydrophobicContact CD1-CE2 3.95Å; I117-F275 WeakPolarHBondContact CG1-O 3.37Å; I117-F275 PolarHBondContact N-O 2.84Å
118	L	96.2	Very high	94	Very high	51 Å²	51	52.2 Å²	52.2	27%	0.267	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-102.6	153.6	-178.3	-58.3	-175.8	0	0	0	111.6	G120 T121 P149	L118-G120 PolarHBondContact O-N 2.91Å; L118-T121 VanDerWaalsContact O-CB 3.31Å; L118-T121 WeakPolarHBondContact O-CB 3.48Å; L118-T121 PolarHBondContact O-N 3.27Å; L118-T121 VanDerWaalsContact O-N 3.12Å; L118-T121 PolarHBondContact O-OG1 3.2Å; L118-P149 CarbonylContact C-O 3.52Å; L118-P149 WeakPolarHBondContact CA-O 3.47Å; L118-P149 HydrophobicContact CD2-CG 4.19Å
119	K	95.4	Very high	94.1	Very high	74 Å²	74	54.4 Å²	54.4	32%	0.322	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-62.2	132.1	176	-159.6	164.6	-167	158.8	0	110.3	Y145 R146 L148 P149 T150	K119-Y145 VanDerWaalsContact CE-O 3.23Å; K119-Y145 WeakPolarHBondContact CE-O 3.45Å; K119-Y145 HydrophobicContact CG-CE2 3.91Å; K119-Y145 PolarHBondContact NZ-O 3.27Å; K119-R146 PolarHBondContact NZ-O 2.84Å; K119-L148 HydrophobicContact CB-CB 3.94Å; K119-L148 HydrophobicContact CG-CB 4.26Å; K119-P149 PolarHBondContact N-O 3.48Å; K119-T150 HydrophobicContact CB-CG2 4.2Å; K119-T150 HydrophobicContact CD-CG2 4.19Å
120	G	92.1	Very high	94.2	Very high	60 Å²	60	54.5 Å²	54.5	62%	0.619	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-15.5	-174.1	0	0	0	0	0	114.6	L118 L122	L118-G120 PolarHBondContact O-N 2.91Å; G120-L122 VanDerWaalsContact C-N 3.32Å
121	T	93.4	Very high	94.4	Very high	100 Å²	100	53.4 Å²	53.4	61%	0.613	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.9	166.3	-53	0	0	0	0	111.8	I117 L118	I117-T121 HydrophobicContact CG2-CG2 4.39Å; L118-T121 VanDerWaalsContact O-CB 3.31Å; L118-T121 WeakPolarHBondContact O-CB 3.48Å; L118-T121 PolarHBondContact O-N 3.27Å; L118-T121 VanDerWaalsContact O-N 3.12Å; L118-T121 PolarHBondContact O-OG1 3.2Å
122	L	94.6	Very high	94.8	Very high	26 Å²	26	56.6 Å²	56.6	14%	0.136	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-132	163.9	177	-60.8	177.4	0	0	0	110.7	I117 G120 D126 I128 I140 Y145	I117-L122 HydrophobicContact CD1-CD1 4.09Å; I117-L122 HydrophobicContact CG2-CD1 3.82Å; I117-L122 HydrophobicContact CG2-CG 4.07Å; G120-L122 VanDerWaalsContact C-N 3.32Å; L122-D126 VanDerWaalsContact CA-OD2 3.26Å; L122-D126 WeakPolarHBondContact CA-OD2 3.24Å; L122-D126 HydrophobicContact CD2-CB 4.45Å; L122-I128 HydrophobicContact CD1-CD1 3.9Å; L122-I128 HydrophobicContact CD2-CD1 4.06Å; L122-I140 HydrophobicContact CB-CG1 4.26Å; L122-I140 HydrophobicContact CD1-CD1 3.62Å; L122-I140 HydrophobicContact CD1-CG1 3.91Å; L122-Y145 WeakPolarHBondContact O-CD2 3.41Å; L122-Y145 WeakPolarHBondContact O-CE2 3.42Å
123	K	96.6	Very high	95	Very high	138 Å²	138	56 Å²	56	60%	0.6	30%	0.299	S	S	*	.			trans	-129.8	156.7	178	-62.8	169.6	-176.2	-71.8	0	110.3	G125 D126 I140	K123-G125 PolarHBondContact O-N 2.78Å; K123-D126 PolarHBondContact N-OD2 2.92Å; K123-D126 WeakPolarHBondContact O-CB 3.44Å; K123-D126 PolarHBondContact O-N 2.83Å; K123-D126 VanDerWaalsContact O-N 3.16Å; K123-I140 WeakPolarHBondContact O-CB 3.19Å; K123-I140 WeakPolarHBondContact O-CG2 3.4Å
124	P	98.1	Very high	95	Very high	59 Å²	59	55.1 Å²	55.1	38%	0.383	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.7	169.1	-22.7	33.5	0	0	0	111.3	I140 E142 Y145	P124-I140 CarbonylContact C-O 3.49Å; P124-I140 WeakPolarHBondContact CA-O 3.43Å; P124-E142 VanDerWaalsContact CG-OE2 3.25Å; P124-E142 WeakPolarHBondContact CG-OE2 3.37Å; P124-Y145 HydrophobicContact CG-CD1 3.82Å; P124-Y145 HydrophobicContact CG-CD2 4.48Å; P124-Y145 HydrophobicContact CG-CG 3.78Å
125	G	97.5	Very high	95	Very high	44 Å²	44	63.9 Å²	63.9	45%	0.454	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-13.5	-176.2	0	0	0	0	0	115.6	K123 I127 I140	K123-G125 PolarHBondContact O-N 2.78Å; G125-I127 PolarHBondContact O-N 2.69Å; G125-I140 PolarHBondContact N-O 2.86Å
126	D	97.8	Very high	95	Very high	56 Å²	56	64.5 Å²	64.5	30%	0.299	34%	0.341	S	S	.	.			trans	-59.6	134.7	175.9	-75.1	-10.6	0	0	0	111.1	L122 K123 N139 I140	L122-D126 VanDerWaalsContact CA-OD2 3.26Å; L122-D126 WeakPolarHBondContact CA-OD2 3.24Å; L122-D126 HydrophobicContact CD2-CB 4.45Å; K123-D126 PolarHBondContact N-OD2 2.92Å; K123-D126 WeakPolarHBondContact O-CB 3.44Å; K123-D126 PolarHBondContact O-N 2.83Å; K123-D126 VanDerWaalsContact O-N 3.16Å; D126-N139 CarbonylContact O-C 3.52Å; D126-N139 WeakPolarHBondContact O-CA 3.49Å; D126-I140 HydrophobicContact CB-CB 4.44Å; D126-I140 HydrophobicContact CB-CG1 4.02Å; D126-I140 PolarHBondContact O-N 2.96Å
127	I	97.2	Very high	95	Very high	109 Å²	109	67.6 Å²	67.6	56%	0.559	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.4	-177.5	-58.3	175.2	0	0	0	110.3	G125 T137	G125-I127 PolarHBondContact O-N 2.69Å; I127-T137 HydrophobicContact CG2-CG2 3.73Å
128	I	96.6	Very high	95	Very high	9 Å²	9	68.4 Å²	68.4	5%	0.046	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	178	-56.3	-60.7	0	0	0	110.1	L122 T137 T138 I140 F248 L278	L122-I128 HydrophobicContact CD1-CD1 3.9Å; L122-I128 HydrophobicContact CD2-CD1 4.06Å; I128-T137 CarbonylContact O-C 3.55Å; I128-T137 WeakPolarHBondContact O-CA 2.97Å; I128-T138 HydrophobicContact CB-CG2 4.42Å; I128-T138 PolarHBondContact N-O 2.73Å; I128-T138 PolarHBondContact O-N 2.87Å; I128-I140 HydrophobicContact CD1-CD1 4.32Å; I128-I140 HydrophobicContact CD1-CG1 4.38Å; I128-I140 HydrophobicContact CG1-CD1 3.71Å; I128-I140 HydrophobicContact CG1-CG1 3.91Å; I128-F248 HydrophobicContact CB-CD1 4.23Å; I128-F248 HydrophobicContact CB-CE1 4.48Å; I128-F248 HydrophobicContact CG1-CE1 4.4Å; I128-F248 HydrophobicContact CG2-CB 3.95Å; I128-F248 HydrophobicContact CG2-CD1 3.73Å; I128-F248 HydrophobicContact CG2-CD2 4.41Å; I128-F248 HydrophobicContact CG2-CE1 4.36Å; I128-F248 HydrophobicContact CG2-CG 3.76Å; I128-L278 HydrophobicContact CD1-CD1 4.41Å; I128-L278 HydrophobicContact CG2-CD1 3.89Å; I128-L278 HydrophobicContact CG2-CD2 3.87Å
129	H	96.1	Very high	95.1	Very high	103 Å²	103	70.4 Å²	70.4	48%	0.477	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	142.5	171.5	-66.6	-101.6	0	0	0	111	R134	H129-R134 PolarHBondContact ND1-O 3.09Å
130	Y	95.7	Very high	95.2	Very high	3 Å²	3	67 Å²	67	1%	0.012	36%	0.362	C	S	.	.			trans	-69.6	140.7	175.5	-71.9	-77.3	0	0	0	112.4	F132 D133 R134 S136 T138 F248 A250 K251 E254	Y130-F132 VanDerWaalsContact C-N 3.29Å; Y130-F132 PolarHBondContact O-N 3.03Å; Y130-D133 WeakPolarHBondContact CB-O 2.97Å; Y130-D133 CarbonylContact O-C 3.32Å; Y130-D133 VanDerWaalsContact O-C 3.32Å; Y130-D133 PolarHBondContact O-N 3.12Å; Y130-R134 PolarHBondContact O-N 3.4Å; Y130-S136 WeakPolarHBondContact CD2-O 3.47Å; Y130-S136 PolarHBondContact N-O 3.23Å; Y130-S136 VanDerWaalsContact N-O 3.16Å; Y130-T138 HydrophobicContact CE1-CG2 4.34Å; Y130-T138 HydrophobicContact CE2-CG2 4.18Å; Y130-T138 WeakPolarHBondContact OH-CB 3.28Å; Y130-T138 WeakPolarHBondContact OH-CG2 3.47Å; Y130-F248 WeakPolarHBondContact CA-O 3.43Å; Y130-F248 WeakPolarHBondContact CD1-O 3.4Å; Y130-A250 WeakPolarHBondContact CD1-O 3.49Å; Y130-A250 VanDerWaalsContact CE1-O 3.3Å; Y130-A250 WeakPolarHBondContact CE1-O 3.35Å; Y130-K251 HydrophobicContact CD2-CB 4.05Å; Y130-K251 HydrophobicContact CE2-CB 4.12Å; Y130-K251 HydrophobicContact CE2-CG 4.23Å; Y130-K251 HydrophobicContact CG-CB 4.43Å; Y130-E254 VanDerWaalsContact OH-CD 3.27Å; Y130-E254 WeakPolarHBondContact OH-CG 3.38Å; Y130-E254 PolarHBondContact OH-OE1 3.37Å
131	V	93.9	Very high	95.5	Very high	15 Å²	15	65.5 Å²	65.5	9%	0.091	34%	0.342	C	S	.	.	S	Bend	trans	-63	-35.4	180	178.1	0	0	0	0	111.9	F248 M249 L278 L281	V131-F248 PolarHBondContact N-O 3.44Å; V131-M249 HydrophobicContact CB-SD 3.97Å; V131-M249 HydrophobicContact CG1-SD 4.1Å; V131-M249 HydrophobicContact CG2-SD 3.97Å; V131-L278 HydrophobicContact CG2-CD2 4.42Å; V131-L281 HydrophobicContact CG1-CB 4.38Å; V131-L281 HydrophobicContact CG1-CD2 4.11Å
132	F	90.8	Very high	95.7	Very high	75 Å²	75	64.7 Å²	64.7	33%	0.329	33%	0.331	S	S	.	.	S	Bend	trans	-95	-15.5	178.7	-62.2	-43.9	0	0	0	115.8	Y130 M249 A250 L281 R297	Y130-F132 VanDerWaalsContact C-N 3.29Å; Y130-F132 PolarHBondContact O-N 3.03Å; F132-M249 WeakPolarHBondContact CB-O 3.27Å; F132-M249 HydrophobicContact CD2-CB 4.25Å; F132-M249 WeakPolarHBondContact CD2-O 3.4Å; F132-M249 HydrophobicContact CE2-CB 3.89Å; F132-M249 WeakPolarHBondContact CG-O 3.28Å; F132-M249 PolarHBondContact N-O 2.64Å; F132-A250 HydrophobicContact CD2-CB 4.14Å; F132-L281 HydrophobicContact CD1-CD2 4.31Å; F132-L281 HydrophobicContact CE1-CD2 3.14Å; F132-L281 HydrophobicContact CE2-CD2 4.44Å; F132-L281 HydrophobicContact CZ-CD2 3.2Å; F132-R297 HydrophobicContact CE1-CG 3.77Å; F132-R297 HydrophobicContact CE2-CG 4.44Å; F132-R297 VanDerWaalsContact CG-NH2 3.29Å; F132-R297 HydrophobicContact CZ-CG 3.54Å
133	D	91.2	Very high	95.9	Very high	55 Å²	55	65 Å²	65	29%	0.294	33%	0.333	S	S	.	.			trans	-140.6	88	177	173.8	11.6	0	0	0	108.5	Y130 Q135 S136	Y130-D133 WeakPolarHBondContact CB-O 2.97Å; Y130-D133 CarbonylContact O-C 3.32Å; Y130-D133 VanDerWaalsContact O-C 3.32Å; Y130-D133 PolarHBondContact O-N 3.12Å; D133-Q135 PolarHBondContact O-N 3.46Å; D133-Q135 PolarHBondContact OD1-N 2.93Å; D133-Q135 VanDerWaalsContact OD1-N 3.12Å; D133-S136 PolarHBondContact O-N 3.27Å; D133-S136 PolarHBondContact OD1-N 3.04Å; D133-S136 WeakPolarHBondContact OD2-CB 3.36Å; D133-S136 PolarHBondContact OD2-OG 3.1Å
134	R	89.5	Confident	96	Very high	162 Å²	162	58.7 Å²	58.7	61%	0.611	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.7	-176.5	-66.5	-175.8	176.9	-169.7	-2.3	113.6	H129 Y130 H282	H129-R134 PolarHBondContact ND1-O 3.09Å; Y130-R134 PolarHBondContact O-N 3.4Å; R134-H282 PolarHBondContact NH2-CE1 3.46Å; R134-H282 PolarHBondContact NH2-NE2 3.16Å
135	Q	93.8	Very high	96	Very high	185 Å²	185	59 Å²	59	86%	0.864	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-29.1	175.1	-63.7	-178.2	-7.6	0	0	111.3	D133	D133-Q135 PolarHBondContact O-N 3.46Å; D133-Q135 PolarHBondContact OD1-N 2.93Å; D133-Q135 VanDerWaalsContact OD1-N 3.12Å
136	S	96.3	Very high	96	Very high	14 Å²	14	63.4 Å²	63.4	10%	0.098	30%	0.302	C	S	.	.			trans	-87.2	144.4	173.5	-64.6	0	0	0	0	112.4	Y130 D133 K251	Y130-S136 WeakPolarHBondContact CD2-O 3.47Å; Y130-S136 PolarHBondContact N-O 3.23Å; Y130-S136 VanDerWaalsContact N-O 3.16Å; D133-S136 PolarHBondContact O-N 3.27Å; D133-S136 PolarHBondContact OD1-N 3.04Å; D133-S136 WeakPolarHBondContact OD2-CB 3.36Å; D133-S136 PolarHBondContact OD2-OG 3.1Å; S136-K251 WeakPolarHBondContact OG-CD 3.04Å; S136-K251 WeakPolarHBondContact OG-CE 3.1Å; S136-K251 PolarHBondContact OG-NZ 3.01Å
137	T	96.4	Very high	96	Very high	66 Å²	66	61.9 Å²	61.9	41%	0.405	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	165.9	178.7	55	0	0	0	0	112.1	I127 I128	I127-T137 HydrophobicContact CG2-CG2 3.73Å; I128-T137 CarbonylContact O-C 3.55Å; I128-T137 WeakPolarHBondContact O-CA 2.97Å
138	T	96.4	Very high	96	Very high	32 Å²	32	57 Å²	57	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.5	166.7	-169	0	0	0	0	109.8	I128 Y130 F248	I128-T138 HydrophobicContact CB-CG2 4.42Å; I128-T138 PolarHBondContact N-O 2.73Å; I128-T138 PolarHBondContact O-N 2.87Å; Y130-T138 HydrophobicContact CE1-CG2 4.34Å; Y130-T138 HydrophobicContact CE2-CG2 4.18Å; Y130-T138 WeakPolarHBondContact OH-CB 3.28Å; Y130-T138 WeakPolarHBondContact OH-CG2 3.47Å; T138-F248 HydrophobicContact CG2-CD1 3.96Å; T138-F248 HydrophobicContact CG2-CE1 4.17Å
139	N	97.3	Very high	96.1	Very high	93 Å²	93	57.6 Å²	57.6	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.5	179.4	-65.3	4.7	0	0	0	110.3	D126 S141	D126-N139 CarbonylContact O-C 3.52Å; D126-N139 WeakPolarHBondContact O-CA 3.49Å; N139-S141 PolarHBondContact O-N 2.83Å
140	I	97.9	Very high	96	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.5	119.1	169.1	-63.4	-63.1	0	0	0	109.4	L122 K123 P124 G125 D126 I128 L144 F248	L122-I140 HydrophobicContact CB-CG1 4.26Å; L122-I140 HydrophobicContact CD1-CD1 3.62Å; L122-I140 HydrophobicContact CD1-CG1 3.91Å; K123-I140 WeakPolarHBondContact O-CB 3.19Å; K123-I140 WeakPolarHBondContact O-CG2 3.4Å; P124-I140 CarbonylContact C-O 3.49Å; P124-I140 WeakPolarHBondContact CA-O 3.43Å; G125-I140 PolarHBondContact N-O 2.86Å; D126-I140 HydrophobicContact CB-CB 4.44Å; D126-I140 HydrophobicContact CB-CG1 4.02Å; D126-I140 PolarHBondContact O-N 2.96Å; I128-I140 HydrophobicContact CD1-CD1 4.32Å; I128-I140 HydrophobicContact CD1-CG1 4.38Å; I128-I140 HydrophobicContact CG1-CD1 3.71Å; I128-I140 HydrophobicContact CG1-CG1 3.91Å; I140-L144 HydrophobicContact CD1-CD2 4.05Å; I140-L144 HydrophobicContact CG2-CD2 4.37Å; I140-F248 HydrophobicContact CD1-CE1 3.92Å; I140-F248 HydrophobicContact CD1-CE2 4.27Å; I140-F248 HydrophobicContact CD1-CZ 3.42Å; I140-F248 VanDerWaalsContact CD1-CZ 3.42Å
141	S	97.9	Very high	96	Very high	27 Å²	27	60.7 Å²	60.7	19%	0.189	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-78.6	159.9	175.8	74.4	0	0	0	0	111.9	N139 N143 L144 Y145 E258	N139-S141 PolarHBondContact O-N 2.83Å; S141-N143 VanDerWaalsContact C-N 3.29Å; S141-N143 PolarHBondContact O-N 3.02Å; S141-L144 PolarHBondContact O-N 3.27Å; S141-L144 VanDerWaalsContact OG-CB 3.28Å; S141-L144 WeakPolarHBondContact OG-CB 3.27Å; S141-L144 PolarHBondContact OG-N 3.42Å; S141-Y145 WeakPolarHBondContact O-CB 3.33Å; S141-Y145 PolarHBondContact O-N 2.81Å; S141-E258 WeakPolarHBondContact CB-OE1 3.46Å; S141-E258 VanDerWaalsContact OG-CD 3.31Å; S141-E258 PolarHBondContact OG-OE1 2.67Å; S141-E258 PolarHBondContact OG-OE2 3.02Å
142	E	98.1	Very high	96	Very high	83 Å²	83	60.6 Å²	60.6	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-38.6	171.7	179.4	59.8	-165.1	0	0	111.7	P124 Y145 R146	P124-E142 VanDerWaalsContact CG-OE2 3.25Å; P124-E142 WeakPolarHBondContact CG-OE2 3.37Å; E142-Y145 PolarHBondContact O-N 3.02Å; E142-R146 WeakPolarHBondContact O-CB 3.27Å; E142-R146 VanDerWaalsContact O-CG 3.23Å; E142-R146 WeakPolarHBondContact O-CG 3.33Å; E142-R146 PolarHBondContact O-N 3.12Å; E142-R146 IonicContact OE1-CZ 2.73Å; E142-R146 IonicContact OE1-NE 3.81Å; E142-R146 PolarHBondContact OE1-NE 3.33Å; E142-R146 IonicContact OE1-NH2 2.92Å; E142-R146 PolarHBondContact OE1-NH2 3.33Å
143	N	98.4	Very high	96.2	Very high	33 Å²	33	57.8 Å²	57.8	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-44.5	178	-64.6	-37.2	0	0	0	111.7	S141 R146 L147 E258 L261 L265	S141-N143 VanDerWaalsContact C-N 3.29Å; S141-N143 PolarHBondContact O-N 3.02Å; N143-R146 PolarHBondContact O-N 3.45Å; N143-L147 PolarHBondContact O-N 2.95Å; N143-E258 PolarHBondContact ND2-OE2 3.13Å; N143-L261 HydrophobicContact CB-CB 3.98Å; N143-L261 HydrophobicContact CB-CD1 4.4Å; N143-L265 HydrophobicContact CB-CD1 3.83Å; N143-L265 WeakPolarHBondContact OD1-CD1 3.2Å
144	L	98.3	Very high	96.2	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-45.3	178.2	-167.2	151.9	0	0	0	110.6	I140 S141 R146 L147 L148 A247 F248 V257 L261 F275	I140-L144 HydrophobicContact CD1-CD2 4.05Å; I140-L144 HydrophobicContact CG2-CD2 4.37Å; S141-L144 PolarHBondContact O-N 3.27Å; S141-L144 VanDerWaalsContact OG-CB 3.28Å; S141-L144 WeakPolarHBondContact OG-CB 3.27Å; S141-L144 PolarHBondContact OG-N 3.42Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.42Å; L144-L147 CarbonylContact O-C 3.59Å; L144-L147 PolarHBondContact O-N 3.41Å; L144-L147 VanDerWaalsContact O-N 3.13Å; L144-L148 HydrophobicContact CD2-CD2 3.86Å; L144-L148 HydrophobicContact CD2-CG 4.09Å; L144-L148 PolarHBondContact O-N 2.84Å; L144-A247 HydrophobicContact CD1-CB 4.22Å; L144-F248 HydrophobicContact CD1-CE1 4.12Å; L144-F248 HydrophobicContact CD1-CE2 4.36Å; L144-F248 HydrophobicContact CD1-CZ 3.53Å; L144-F248 HydrophobicContact CD2-CZ 4.04Å; L144-F248 HydrophobicContact CG-CZ 4.48Å; L144-V257 HydrophobicContact CD1-CG1 4.49Å; L144-L261 HydrophobicContact CB-CD1 3.62Å; L144-L261 HydrophobicContact CD1-CD1 4.23Å; L144-L261 HydrophobicContact CG-CD1 4.08Å; L144-F275 HydrophobicContact CD1-CD1 4.01Å; L144-F275 HydrophobicContact CD1-CE1 3.88Å; L144-F275 HydrophobicContact CG-CD1 4.16Å; L144-F275 HydrophobicContact CG-CE1 3.84Å; L144-F275 HydrophobicContact CG-CE2 4.44Å; L144-F275 HydrophobicContact CG-CZ 3.99Å
145	Y	98.1	Very high	96.3	Very high	65 Å²	65	53 Å²	53	26%	0.255	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-38.8	176	177.2	-101.7	0	0	0	112.9	K119 L122 P124 S141 E142 L147 L148	K119-Y145 VanDerWaalsContact CE-O 3.23Å; K119-Y145 WeakPolarHBondContact CE-O 3.45Å; K119-Y145 HydrophobicContact CG-CE2 3.91Å; K119-Y145 PolarHBondContact NZ-O 3.27Å; L122-Y145 WeakPolarHBondContact O-CD2 3.41Å; L122-Y145 WeakPolarHBondContact O-CE2 3.42Å; P124-Y145 HydrophobicContact CG-CD1 3.82Å; P124-Y145 HydrophobicContact CG-CD2 4.48Å; P124-Y145 HydrophobicContact CG-CG 3.78Å; S141-Y145 WeakPolarHBondContact O-CB 3.33Å; S141-Y145 PolarHBondContact O-N 2.81Å; E142-Y145 PolarHBondContact O-N 3.02Å; Y145-L147 VanDerWaalsContact C-N 3.31Å; Y145-L147 PolarHBondContact O-N 2.92Å; Y145-L148 HydrophobicContact CD2-CD1 4.1Å; Y145-L148 PolarHBondContact O-N 3.24Å
146	R	97.9	Very high	96.2	Very high	137 Å²	137	50.7 Å²	50.7	52%	0.517	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-44.5	173.9	-78.2	172.3	-172	-161.4	3.9	111.7	K119 E142 N143 L144 L265	K119-R146 PolarHBondContact NZ-O 2.84Å; E142-R146 WeakPolarHBondContact O-CB 3.27Å; E142-R146 VanDerWaalsContact O-CG 3.23Å; E142-R146 WeakPolarHBondContact O-CG 3.33Å; E142-R146 PolarHBondContact O-N 3.12Å; E142-R146 IonicContact OE1-CZ 2.73Å; E142-R146 IonicContact OE1-NE 3.81Å; E142-R146 PolarHBondContact OE1-NE 3.33Å; E142-R146 IonicContact OE1-NH2 2.92Å; E142-R146 PolarHBondContact OE1-NH2 3.33Å; N143-R146 PolarHBondContact O-N 3.45Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.42Å; R146-L265 HydrophobicContact CB-CD1 4.46Å; R146-L265 HydrophobicContact CB-CD2 4.29Å
147	L	98.1	Very high	96	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-86.5	1.3	-177.8	-69.3	173.8	0	0	0	115	N143 L144 Y145 L261 I264 L265 T273 F275	N143-L147 PolarHBondContact O-N 2.95Å; L144-L147 CarbonylContact O-C 3.59Å; L144-L147 PolarHBondContact O-N 3.41Å; L144-L147 VanDerWaalsContact O-N 3.13Å; Y145-L147 VanDerWaalsContact C-N 3.31Å; Y145-L147 PolarHBondContact O-N 2.92Å; L147-L261 HydrophobicContact CD1-CB 3.89Å; L147-L261 HydrophobicContact CD1-CD2 3.51Å; L147-L261 HydrophobicContact CD1-CG 4.23Å; L147-I264 HydrophobicContact CD1-CB 4.26Å; L147-I264 HydrophobicContact CD1-CG2 4.04Å; L147-I264 HydrophobicContact CD2-CG2 3.91Å; L147-L265 HydrophobicContact CD1-CD1 4.2Å; L147-L265 HydrophobicContact CD1-CD2 4.39Å; L147-L265 HydrophobicContact CD1-CG 3.95Å; L147-L265 HydrophobicContact CD2-CD2 3.91Å; L147-L265 HydrophobicContact CD2-CG 4.32Å; L147-L265 HydrophobicContact CG-CD1 4.36Å; L147-L265 HydrophobicContact CG-CD2 3.98Å; L147-L265 HydrophobicContact CG-CG 4.09Å; L147-T273 HydrophobicContact CB-CG2 4.36Å; L147-T273 HydrophobicContact CD1-CG2 4.44Å; L147-T273 PolarHBondContact O-OG1 3.31Å; L147-F275 HydrophobicContact CB-CE2 4.29Å; L147-F275 HydrophobicContact CB-CZ 4.36Å
148	L	98.1	Very high	96	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	29%	0.289	C	S	.	.	S	Bend	trans	-64.9	129.4	168.9	-74.5	179.7	0	0	0	110	I117 K119 L144 Y145 F275	I117-L148 HydrophobicContact CB-CD2 4.27Å; I117-L148 HydrophobicContact CG2-CD2 4.35Å; K119-L148 HydrophobicContact CB-CB 3.94Å; K119-L148 HydrophobicContact CG-CB 4.26Å; L144-L148 HydrophobicContact CD2-CD2 3.86Å; L144-L148 HydrophobicContact CD2-CG 4.09Å; L144-L148 PolarHBondContact O-N 2.84Å; Y145-L148 HydrophobicContact CD2-CD1 4.1Å; Y145-L148 PolarHBondContact O-N 3.24Å; L148-F275 HydrophobicContact CD2-CB 4.48Å; L148-F275 HydrophobicContact CD2-CD2 3.78Å; L148-F275 HydrophobicContact CD2-CE2 4.39Å; L148-F275 HydrophobicContact CD2-CG 4.38Å
149	P	97.2	Very high	96.1	Very high	22 Å²	22	57 Å²	57	14%	0.143	29%	0.286	C	S	.	.			trans	-71.8	142.7	178.4	30.6	-35.4	0	0	0	111.1	S116 L118 K119 P153	S116-P149 WeakPolarHBondContact OG-CD 3.47Å; S116-P149 VanDerWaalsContact OG-CG 3.26Å; S116-P149 WeakPolarHBondContact OG-CG 3.49Å; L118-P149 CarbonylContact C-O 3.52Å; L118-P149 WeakPolarHBondContact CA-O 3.47Å; L118-P149 HydrophobicContact CD2-CG 4.19Å; K119-P149 PolarHBondContact N-O 3.48Å; P149-P153 HydrophobicContact CB-CG 4.39Å; P149-P153 HydrophobicContact CG-CG 4.34Å
150	T	95.9	Very high	96.1	Very high	120 Å²	120	60.5 Å²	60.5	74%	0.736	29%	0.292	S	S	*	.	S	Bend	trans	-77.6	-24.1	177.9	49.8	0	0	0	0	113.1	K119	K119-T150 HydrophobicContact CB-CG2 4.2Å; K119-T150 HydrophobicContact CD-CG2 4.19Å
151	A	95	Very high	96.1	Very high	51 Å²	51	64 Å²	64	42%	0.421	31%	0.305	S	S	.	.	S	Bend	trans	-137.9	154.3	173.4	0	0	0	0	0	109.6	P153	A151-P153 WeakPolarHBondContact O-CD 3.45Å
152	S	94.6	Very high	96.2	Very high	13 Å²	13	62.8 Å²	62.8	9%	0.091	30%	0.296	C	S	.	.			trans	-59.9	130.3	-177.2	-169.2	0	0	0	0	112.2	E112 I115 M154 K155	E112-S152 WeakPolarHBondContact CA-OG 3.27Å; E112-S152 WeakPolarHBondContact O-CB 3.34Å; E112-S152 PolarHBondContact O-OG 3.41Å; I115-S152 WeakPolarHBondContact CG2-OG 3.29Å; S152-M154 PolarHBondContact O-N 3.22Å; S152-K155 VanDerWaalsContact O-CB 3.28Å; S152-K155 WeakPolarHBondContact O-CB 3.49Å; S152-K155 PolarHBondContact O-N 3.13Å
153	P	93.5	Very high	96.2	Very high	16 Å²	16	58.8 Å²	58.8	10%	0.104	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.4	174.3	-27.2	36.1	0	0	0	114.5	P149 A151 V242 A274	P149-P153 HydrophobicContact CB-CG 4.39Å; P149-P153 HydrophobicContact CG-CG 4.34Å; A151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-V242 HydrophobicContact CB-CG1 4.34Å; P153-V242 HydrophobicContact CB-CG2 3.96Å; P153-A274 HydrophobicContact CG-CB 4.27Å
154	M	91.9	Very high	96.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	7	176.7	-59.6	-73.3	89.8	0	0	113.6	I115 S152 N156 Q157 F185 V242 F311	I115-M154 HydrophobicContact CB-CG 4.34Å; I115-M154 HydrophobicContact CD1-CG 3.32Å; I115-M154 HydrophobicContact CD1-SD 3.99Å; I115-M154 HydrophobicContact CG1-CG 4.39Å; I115-M154 HydrophobicContact CG2-CB 4.39Å; I115-M154 HydrophobicContact CG2-CG 4Å; S152-M154 PolarHBondContact O-N 3.22Å; M154-N156 PolarHBondContact O-N 2.93Å; M154-Q157 HydrophobicContact CE-CG 4.3Å; M154-Q157 WeakPolarHBondContact O-CB 3.41Å; M154-Q157 PolarHBondContact O-N 3.28Å; M154-F185 HydrophobicContact CE-CE2 4.33Å; M154-F185 HydrophobicContact CE-CZ 3.95Å; M154-V242 HydrophobicContact CE-CG2 4.27Å; M154-F311 HydrophobicContact CG-CD1 4.34Å; M154-F311 HydrophobicContact CG-CE1 4.32Å; M154-F311 HydrophobicContact SD-CD1 3.84Å; M154-F311 HydrophobicContact SD-CD2 4.16Å; M154-F311 HydrophobicContact SD-CE1 3.7Å; M154-F311 HydrophobicContact SD-CE2 4.03Å; M154-F311 HydrophobicContact SD-CG 4.07Å; M154-F311 HydrophobicContact SD-CZ 3.79Å
155	K	92	Very high	96.3	Very high	112 Å²	112	57 Å²	57	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	126.5	-179.4	-171.5	175.4	-177.6	-177.7	0	110.7	E112 S152 Q157	E112-K155 WeakPolarHBondContact OE1-CA 3.37Å; S152-K155 VanDerWaalsContact O-CB 3.28Å; S152-K155 WeakPolarHBondContact O-CB 3.49Å; S152-K155 PolarHBondContact O-N 3.13Å; K155-Q157 PolarHBondContact O-N 2.8Å; K155-Q157 VanDerWaalsContact O-N 3.07Å; K155-Q157 PolarHBondContact O-NE2 2.87Å
156	N	90.3	Very high	96.3	Very high	137 Å²	137	54.3 Å²	54.3	73%	0.733	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	20.4	-176.6	-56.8	-30.9	0	0	0	114.6	E112 M154	E112-N156 PolarHBondContact OE1-N 2.93Å; M154-N156 PolarHBondContact O-N 2.93Å
157	Q	93.4	Very high	96.3	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	24%	0.239	S	C	.	.			trans	-83.1	132.5	178.4	-63.3	-54.9	-69.6	0	0	111.1	M154 K155 F311	M154-Q157 HydrophobicContact CE-CG 4.3Å; M154-Q157 WeakPolarHBondContact O-CB 3.41Å; M154-Q157 PolarHBondContact O-N 3.28Å; K155-Q157 PolarHBondContact O-N 2.8Å; K155-Q157 VanDerWaalsContact O-N 3.07Å; K155-Q157 PolarHBondContact O-NE2 2.87Å; Q157-F311 WeakPolarHBondContact O-CB 3.16Å
158	Y	95.8	Very high	96.3	Very high	135 Å²	135	47.8 Å²	47.8	53%	0.529	24%	0.236	S	C	.	.			trans	-147	130	174.1	175.8	-93.3	0	0	0	109.7	F311 E313	Y158-F311 CarbonylContact C-O 3.57Å; Y158-F311 WeakPolarHBondContact CA-O 3.44Å; Y158-E313 HydrophobicContact CE2-CB 4.29Å; Y158-E313 WeakPolarHBondContact OH-CB 3.36Å; Y158-E313 VanDerWaalsContact OH-CD 3.27Å; Y158-E313 PolarHBondContact OH-OE1 3.04Å
159	H	97.9	Very high	96.3	Very high	27 Å²	27	47.8 Å²	47.8	13%	0.125	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.7	-177.4	-55.3	-59.8	0	0	0	109.5	D184 F185 F311 C312 E313	H159-D184 HydrophobicContact CB-CB 4.09Å; H159-F185 HydrophobicContact CB-CB 4Å; H159-F185 AromaticContact CD2-CD2 3.5Å; H159-F185 VanDerWaalsContact CD2-CD2 3.5Å; H159-F185 WeakPolarHBondContact CD2-CD2 3.35Å; H159-F185 AromaticContact CD2-CG 3.61Å; H159-F185 AromaticContact CE1-CD2 3.69Å; H159-F185 AromaticContact NE2-CD2 3.22Å; H159-F185 WeakPolarHBondContact NE2-CD2 3.32Å; H159-F185 AromaticContact NE2-CE2 3.64Å; H159-F185 AromaticContact NE2-CG 3.87Å; H159-F311 PolarHBondContact N-O 2.85Å; H159-C312 CarbonylContact O-C 3.55Å; H159-C312 WeakPolarHBondContact O-CA 3.26Å; H159-E313 PolarHBondContact O-N 3.17Å
160	R	97.9	Very high	96.4	Very high	168 Å²	168	47.9 Å²	47.9	63%	0.634	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	-48.6	-174.9	-174.3	-179.5	176.8	159.9	-2.8	110.5	D184 E313 E314	R160-D184 WeakPolarHBondContact CA-OD2 3.17Å; R160-D184 VanDerWaalsContact CB-OD2 3.26Å; R160-D184 WeakPolarHBondContact CB-OD2 3.25Å; R160-D184 PolarHBondContact N-OD2 2.92Å; R160-E313 WeakPolarHBondContact O-CB 3.3Å; R160-E314 WeakPolarHBondContact O-CB 3.36Å; R160-E314 PolarHBondContact O-N 2.93Å
161	R	98.4	Very high	96.5	Very high	78 Å²	78	42.4 Å²	42.4	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.1	178.2	-68	-177	61.9	-151.1	-12.6	110.4	H183 D184 E314 H316	R161-H183 PolarHBondContact NH2-CE1 2.91Å; R161-H183 PolarHBondContact NH2-NE2 2.87Å; R161-H183 VanDerWaalsContact NH2-NE2 3.16Å; R161-D184 PolarHBondContact N-OD2 3.45Å; R161-D184 WeakPolarHBondContact O-CB 3.49Å; R161-D184 PolarHBondContact O-N 3.43Å; R161-E314 HydrophobicContact CG-CB 4.38Å; R161-H316 PolarHBondContact NH2-CE1 2.52Å
162	C	98.9	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.2	176.5	-65.4	0	0	0	0	111.9	H183 F185 C312 E314 I315 H316	C162-H183 VanDerWaalsContact C-CD2 3.48Å; C162-F185 CarbonylContact C-O 3.58Å; C162-F185 VanDerWaalsContact CA-O 3.24Å; C162-F185 WeakPolarHBondContact CA-O 3.47Å; C162-C312 HydrophobicContact CB-CB 3.68Å; C162-C312 WeakPolarHBondContact CB-SG 3.5Å; C162-C312 WeakPolarHBondContact SG-CB 3.47Å; C162-C312 CovalentContact SG-SG 2.02Å; C162-C312 PolarHBondContact SG-SG 3.39Å; C162-E314 PolarHBondContact N-O 3.35Å; C162-I315 WeakPolarHBondContact O-CA 3.29Å; C162-H316 PolarHBondContact O-N 3.43Å
163	A	98.9	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.2	167.2	0	0	0	0	0	110.2	I180 H183 F185 V186 I187 H316 Y318	A163-I180 HydrophobicContact CB-CG2 4.26Å; A163-H183 HydrophobicContact CB-CB 3.97Å; A163-F185 PolarHBondContact N-O 3.35Å; A163-V186 HydrophobicContact CB-CG1 4.37Å; A163-V186 HydrophobicContact CB-CG2 4.28Å; A163-V186 WeakPolarHBondContact O-CA 3.43Å; A163-I187 PolarHBondContact O-N 2.96Å; A163-H316 CarbonylContact C-O 3.45Å; A163-H316 WeakPolarHBondContact CA-O 3.5Å; A163-Y318 HydrophobicContact CB-CD2 4.01Å; A163-Y318 HydrophobicContact CB-CE2 3.71Å
164	I	98.9	Very high	96.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.9	168.3	-46.7	-174.2	0	0	0	107.8	I187 M304 Y305 A308 I315 H316 L317 Y318 F320	I164-I187 WeakPolarHBondContact CA-O 3.29Å; I164-I187 HydrophobicContact CB-CB 4.5Å; I164-I187 HydrophobicContact CD1-CD1 4.27Å; I164-I187 HydrophobicContact CG1-CB 4.29Å; I164-I187 HydrophobicContact CG1-CD1 4.17Å; I164-I187 HydrophobicContact CG2-CB 4.21Å; I164-I187 HydrophobicContact CG2-CG2 4.19Å; I164-M304 HydrophobicContact CG2-CB 4.14Å; I164-Y305 VanDerWaalsContact CD1-CA 3.48Å; I164-A308 HydrophobicContact CD1-CB 3.73Å; I164-I315 HydrophobicContact CD1-CG2 3.78Å; I164-I315 HydrophobicContact CG1-CG2 3.98Å; I164-H316 PolarHBondContact N-O 3.21Å; I164-L317 HydrophobicContact CB-CD2 3.71Å; I164-L317 HydrophobicContact CD1-CD2 3.89Å; I164-L317 HydrophobicContact CG1-CD2 3.98Å; I164-Y318 PolarHBondContact O-N 2.92Å; I164-F320 HydrophobicContact CB-CE2 4.32Å; I164-F320 HydrophobicContact CG2-CE2 4.03Å; I164-F320 HydrophobicContact CG2-CZ 3.97Å
165	V	98.9	Very high	97	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104.5	-177.4	-168.9	0	0	0	0	108.4	L171 I180 V186 I187 R188 C189	V165-L171 HydrophobicContact CG1-CD1 3.93Å; V165-I180 HydrophobicContact CG2-CD1 4.22Å; V165-I180 HydrophobicContact CG2-CG1 4.48Å; V165-I180 HydrophobicContact CG2-CG2 3.84Å; V165-V186 HydrophobicContact CG2-CG1 4.01Å; V165-I187 PolarHBondContact N-O 2.67Å; V165-R188 HydrophobicContact CB-CG 4.36Å; V165-C189 PolarHBondContact O-N 3.18Å
166	G	98.7	Very high	97.3	Very high	7 Å²	7	43.9 Å²	43.9	7%	0.072	21%	0.21	C	C	.	.			trans	-78.4	169.8	163.4	0	0	0	0	0	111.2	Y318 G319	G166-Y318 PolarHBondContact N-O 3.09Å; G166-G319 CarbonylContact C-O 3.56Å
167	N	98.6	Very high	97.7	Very high	16 Å²	16	37.4 Å²	37.4	9%	0.086	18%	0.175	C	C	.	.			trans	-95.1	-0.1	-163.8	-66.6	13.1	0	0	0	114.3	C189 H335 Y336 Y337	N167-C189 PolarHBondContact ND2-O 3.31Å; N167-C189 WeakPolarHBondContact OD1-CB 3.28Å; N167-C189 PolarHBondContact OD1-O 2.92Å; N167-H335 CarbonylContact O-C 3.43Å; N167-H335 WeakPolarHBondContact O-CA 3.26Å; N167-Y336 WeakPolarHBondContact O-CD1 3.42Å; N167-Y336 PolarHBondContact O-N 3.17Å; N167-Y337 HydrophobicContact CB-CE1 3.89Å; N167-Y337 PolarHBondContact ND2-OH 2.92Å
168	S	98.5	Very high	97.9	Very high	8 Å²	8	37.1 Å²	37.1	6%	0.056	18%	0.181	C	C	.	.			trans	-60.7	143.9	-169.5	-177.8	0	0	0	0	114	I170 L171 G319 W321 Y334	S168-I170 PolarHBondContact O-N 3.01Å; S168-I170 PolarHBondContact OG-N 3.01Å; S168-L171 PolarHBondContact O-N 3.36Å; S168-G319 WeakPolarHBondContact CB-O 3.3Å; S168-G319 PolarHBondContact N-O 3.22Å; S168-G319 VanDerWaalsContact N-O 3.1Å; S168-W321 WeakPolarHBondContact CB-O 3.46Å; S168-W321 PolarHBondContact OG-O 2.97Å; S168-Y334 WeakPolarHBondContact CA-O 3.35Å
169	G	98	Very high	98	Very high	6 Å²	6	32.4 Å²	32.4	6%	0.062	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-62.9	-5.8	175.2	0	0	0	0	0	115.2	L171 L172 K333	G169-L171 PolarHBondContact O-N 3.49Å; G169-L171 VanDerWaalsContact O-N 3.17Å; G169-L172 PolarHBondContact O-N 3.03Å; G169-L172 VanDerWaalsContact O-N 3.15Å; G169-K333 WeakPolarHBondContact CA-O 3.37Å; G169-K333 PolarHBondContact N-O 3.43Å
170	I	97.5	Very high	98.1	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.128	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.5	-19.8	171.5	-162.4	63.3	0	0	0	112.8	S168 L172 W321 V332	S168-I170 PolarHBondContact O-N 3.01Å; S168-I170 PolarHBondContact OG-N 3.01Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-W321 HydrophobicContact CB-CB 3.71Å; I170-W321 HydrophobicContact CB-CG 4.02Å; I170-W321 HydrophobicContact CD1-CD2 4.24Å; I170-W321 HydrophobicContact CD1-CG 4.19Å; I170-W321 HydrophobicContact CG1-CB 4.06Å; I170-W321 HydrophobicContact CG1-CD2 4.34Å; I170-W321 HydrophobicContact CG1-CG 4.05Å; I170-W321 HydrophobicContact CG2-CB 3.63Å; I170-W321 HydrophobicContact CG2-CG 4.46Å; I170-V332 HydrophobicContact CB-CG1 4.3Å; I170-V332 HydrophobicContact CD1-CG2 4.04Å
171	L	98.1	Very high	98.1	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-75.4	-17.7	177.3	-70	172.2	0	0	0	113.8	V165 S168 G169 N173 S174 D200 V201 Y336	V165-L171 HydrophobicContact CG1-CD1 3.93Å; S168-L171 PolarHBondContact O-N 3.36Å; G169-L171 PolarHBondContact O-N 3.49Å; G169-L171 VanDerWaalsContact O-N 3.17Å; L171-N173 PolarHBondContact O-N 2.97Å; L171-S174 WeakPolarHBondContact O-CB 3.32Å; L171-S174 PolarHBondContact O-N 3.36Å; L171-S174 PolarHBondContact O-OG 2.97Å; L171-D200 WeakPolarHBondContact O-CB 3.5Å; L171-V201 HydrophobicContact CB-CG1 4.19Å; L171-V201 HydrophobicContact CD1-CG1 3.96Å; L171-Y336 HydrophobicContact CD1-CD1 4.04Å; L171-Y336 HydrophobicContact CD1-CE1 4.16Å
172	L	97.4	Very high	98.1	Very high	51 Å²	51	25.2 Å²	25.2	27%	0.267	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	123.4	-176.2	-69.2	171.9	0	0	0	111.8	G169 I170 S174 Y197 D200 K333	G169-L172 PolarHBondContact O-N 3.03Å; G169-L172 VanDerWaalsContact O-N 3.15Å; I170-L172 VanDerWaalsContact C-N 3.33Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-Y197 HydrophobicContact CD2-CD1 4Å; L172-Y197 HydrophobicContact CD2-CE1 4.02Å; L172-D200 WeakPolarHBondContact CA-OD2 3.29Å; L172-K333 HydrophobicContact CD1-CD 4.04Å
173	N	95.6	Very high	98.1	Very high	136 Å²	136	25.2 Å²	25.2	73%	0.727	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	31.2	-171.9	-39.6	-86	0	0	0	113.5	L171 D200	L171-N173 PolarHBondContact O-N 2.97Å; N173-D200 VanDerWaalsContact CA-OD1 3.28Å; N173-D200 WeakPolarHBondContact CA-OD1 3.27Å; N173-D200 VanDerWaalsContact N-CG 3.26Å; N173-D200 PolarHBondContact N-OD1 2.92Å; N173-D200 VanDerWaalsContact N-OD1 3.14Å; N173-D200 PolarHBondContact N-OD2 2.91Å
174	S	96.3	Very high	98.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.021	17%	0.168	C	C	.	.			trans	-83.4	-22.9	173.2	66.6	0	0	0	0	112.9	L171 L172 C176 D200 S375 C376	L171-S174 WeakPolarHBondContact O-CB 3.32Å; L171-S174 PolarHBondContact O-N 3.36Å; L171-S174 PolarHBondContact O-OG 2.97Å; L172-S174 VanDerWaalsContact C-N 3.28Å; S174-C176 PolarHBondContact O-N 2.89Å; S174-C176 VanDerWaalsContact O-N 3.17Å; S174-C176 PolarHBondContact OG-N 3.05Å; S174-D200 PolarHBondContact N-OD1 2.97Å; S174-D200 PolarHBondContact OG-O 3.42Å; S174-S375 CarbonylContact O-C 3.5Å; S174-S375 WeakPolarHBondContact O-CA 3.45Å; S174-S375 WeakPolarHBondContact O-CB 3.47Å; S174-C376 PolarHBondContact O-N 2.89Å
175	S	97.3	Very high	98.1	Very high	35 Å²	35	29 Å²	29	25%	0.245	17%	0.17	C	C	.	.			trans	55.2	23	-171.2	-60.5	0	0	0	0	113.9	G177 P178 Q199 D200	S175-G177 VanDerWaalsContact C-N 3.25Å; S175-G177 PolarHBondContact O-N 2.9Å; S175-P178 WeakPolarHBondContact O-CD 3.46Å; S175-Q199 CarbonylContact C-O 3.36Å; S175-Q199 VanDerWaalsContact C-O 3.26Å; S175-Q199 WeakPolarHBondContact CA-O 3.33Å; S175-D200 PolarHBondContact N-OD1 2.9Å
176	C	98.4	Very high	98.1	Very high	1 Å²	1	29 Å²	29	1%	0.007	17%	0.17	C	C	.	.			trans	-77.6	-2.5	-177.3	-72.9	0	0	0	0	114.8	S174 E179 I180 D200 Y318 C376	S174-C176 PolarHBondContact O-N 2.89Å; S174-C176 VanDerWaalsContact O-N 3.17Å; S174-C176 PolarHBondContact OG-N 3.05Å; C176-E179 PolarHBondContact O-N 3.11Å; C176-I180 HydrophobicContact CB-CD1 4.06Å; C176-I180 HydrophobicContact CB-CG1 4.5Å; C176-I180 WeakPolarHBondContact O-CB 3.31Å; C176-I180 VanDerWaalsContact O-CG1 3.29Å; C176-I180 WeakPolarHBondContact O-CG1 3.04Å; C176-I180 PolarHBondContact O-N 3.45Å; C176-D200 CarbonylContact C-O 3.5Å; C176-D200 WeakPolarHBondContact CB-O 3.19Å; C176-Y318 HydrophobicContact CB-CD1 4.2Å; C176-Y318 HydrophobicContact CB-CE1 4.38Å; C176-C376 VanDerWaalsContact CA-SG 3.52Å; C176-C376 HydrophobicContact CB-CB 3.92Å; C176-C376 WeakPolarHBondContact CB-SG 3.42Å; C176-C376 WeakPolarHBondContact SG-CB 3.39Å; C176-C376 PolarHBondContact SG-N 3.26Å; C176-C376 VanDerWaalsContact SG-N 3.38Å; C176-C376 CovalentContact SG-SG 2.04Å; C176-C376 PolarHBondContact SG-SG 3.05Å
177	G	98.4	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-50.5	-176.9	0	0	0	0	0	114.6	S175 E179 I180 D181 Q199 D200 G202	S175-G177 VanDerWaalsContact C-N 3.25Å; S175-G177 PolarHBondContact O-N 2.9Å; G177-E179 PolarHBondContact O-N 2.79Å; G177-I180 PolarHBondContact O-N 3.23Å; G177-D181 WeakPolarHBondContact O-CB 3.49Å; G177-D181 PolarHBondContact O-N 2.88Å; G177-Q199 WeakPolarHBondContact CA-O 3.11Å; G177-Q199 PolarHBondContact N-O 2.91Å; G177-D200 PolarHBondContact N-O 3.27Å; G177-G202 VanDerWaalsContact CA-N 3.27Å
178	P	98.1	Very high	98.1	Very high	77 Å²	77	28.1 Å²	28.1	50%	0.5	16%	0.163	S	C	.	.	H	α-helix	trans	-60	-40.9	175.3	-25.9	36.2	0	0	0	113.4	S175 D181 S182 L378	S175-P178 WeakPolarHBondContact O-CD 3.46Å; P178-D181 PolarHBondContact O-N 3.15Å; P178-S182 PolarHBondContact O-N 3.12Å; P178-S182 VanDerWaalsContact O-N 3.11Å; P178-L378 HydrophobicContact CG-CD2 4.16Å
179	E	98.3	Very high	98.1	Very high	36 Å²	36	28 Å²	28	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-44	176.8	-161.1	-167.1	129.2	0	0	110.6	C176 G177 D181 S182 H183 H316 Y318 H372 C376	C176-E179 PolarHBondContact O-N 3.11Å; G177-E179 PolarHBondContact O-N 2.79Å; E179-D181 PolarHBondContact O-N 3.03Å; E179-S182 WeakPolarHBondContact O-CB 3.43Å; E179-S182 PolarHBondContact O-N 3.46Å; E179-S182 PolarHBondContact O-OG 3.26Å; E179-H183 PolarHBondContact O-CE1 2.93Å; E179-H183 PolarHBondContact O-ND1 3.45Å; E179-H316 IonicContact OE1-CE1 3.76Å; E179-H316 IonicContact OE1-ND1 3.37Å; E179-H316 PolarHBondContact OE1-ND1 3.49Å; E179-Y318 PolarHBondContact OE1-OH 2.92Å; E179-H372 IonicContact OE1-CE1 3.82Å; E179-H372 PolarHBondContact OE1-CE1 3.29Å; E179-H372 IonicContact OE1-NE2 3.18Å; E179-H372 PolarHBondContact OE1-NE2 3.45Å; E179-H372 IonicContact OE2-CE1 3.05Å; E179-C376 HydrophobicContact CB-CB 4.38Å; E179-C376 PolarHBondContact OE2-SG 2.89Å
180	I	98.8	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.1	-49.1	176.7	-70.6	163.6	0	0	0	110.7	A163 V165 C176 G177 S182 H183 V186 Y318	A163-I180 HydrophobicContact CB-CG2 4.26Å; V165-I180 HydrophobicContact CG2-CD1 4.22Å; V165-I180 HydrophobicContact CG2-CG1 4.48Å; V165-I180 HydrophobicContact CG2-CG2 3.84Å; C176-I180 HydrophobicContact CB-CD1 4.06Å; C176-I180 HydrophobicContact CB-CG1 4.5Å; C176-I180 WeakPolarHBondContact O-CB 3.31Å; C176-I180 VanDerWaalsContact O-CG1 3.29Å; C176-I180 WeakPolarHBondContact O-CG1 3.04Å; C176-I180 PolarHBondContact O-N 3.45Å; G177-I180 PolarHBondContact O-N 3.23Å; I180-S182 PolarHBondContact O-N 3.43Å; I180-H183 WeakPolarHBondContact O-CB 3.47Å; I180-H183 PolarHBondContact O-N 2.78Å; I180-H183 VanDerWaalsContact O-N 3.17Å; I180-H183 PolarHBondContact O-ND1 3.04Å; I180-V186 HydrophobicContact CG2-CG1 3.95Å; I180-V186 HydrophobicContact CG2-CG2 4.33Å; I180-Y318 HydrophobicContact CD1-CD1 3.99Å; I180-Y318 HydrophobicContact CD1-CD2 4.33Å; I180-Y318 HydrophobicContact CD1-CG 3.88Å; I180-Y318 HydrophobicContact CG1-CD1 3.79Å; I180-Y318 HydrophobicContact CG1-CD2 3.75Å; I180-Y318 HydrophobicContact CG1-CE1 3.91Å; I180-Y318 HydrophobicContact CG1-CE2 3.84Å; I180-Y318 HydrophobicContact CG1-CG 3.72Å
181	D	98.6	Very high	98.1	Very high	50 Å²	50	28 Å²	28	27%	0.267	16%	0.161	S	C	.	.	H	α-helix	trans	-69.5	-19	-176.6	-73.3	-7.2	0	0	0	113.5	G177 P178 E179 H183 R188 G202 R203 R204	G177-D181 WeakPolarHBondContact O-CB 3.49Å; G177-D181 PolarHBondContact O-N 2.88Å; P178-D181 PolarHBondContact O-N 3.15Å; E179-D181 PolarHBondContact O-N 3.03Å; D181-H183 PolarHBondContact O-N 2.85Å; D181-R188 IonicContact OD1-NH2 3.69Å; D181-G202 VanDerWaalsContact OD1-CA 3.26Å; D181-G202 WeakPolarHBondContact OD1-CA 3.4Å; D181-G202 WeakPolarHBondContact OD2-CA 3.29Å; D181-R203 VanDerWaalsContact CG-N 3.33Å; D181-R203 PolarHBondContact OD1-N 2.04Å; D181-R203 PolarHBondContact OD2-N 2.9Å; D181-R204 HydrophobicContact CB-CB 4.15Å; D181-R204 WeakPolarHBondContact O-CD 3.22Å; D181-R204 WeakPolarHBondContact OD1-CB 3.31Å; D181-R204 PolarHBondContact OD1-N 3.38Å
182	S	98.3	Very high	98.1	Very high	71 Å²	71	28.1 Å²	28.1	50%	0.497	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11	172.3	80.6	0	0	0	0	114.8	P178 E179 I180	P178-S182 PolarHBondContact O-N 3.12Å; P178-S182 VanDerWaalsContact O-N 3.11Å; E179-S182 WeakPolarHBondContact O-CB 3.43Å; E179-S182 PolarHBondContact O-N 3.46Å; E179-S182 PolarHBondContact O-OG 3.26Å; I180-S182 PolarHBondContact O-N 3.43Å
183	H	98.7	Very high	98	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-78.9	145.8	-179.9	-68.5	72	0	0	0	111.7	R161 C162 A163 E179 I180 D181 F185 V186 R204 H316 Y318	R161-H183 PolarHBondContact NH2-CE1 2.91Å; R161-H183 PolarHBondContact NH2-NE2 2.87Å; R161-H183 VanDerWaalsContact NH2-NE2 3.16Å; C162-H183 VanDerWaalsContact C-CD2 3.48Å; A163-H183 HydrophobicContact CB-CB 3.97Å; E179-H183 PolarHBondContact O-CE1 2.93Å; E179-H183 PolarHBondContact O-ND1 3.45Å; I180-H183 WeakPolarHBondContact O-CB 3.47Å; I180-H183 PolarHBondContact O-N 2.78Å; I180-H183 VanDerWaalsContact O-N 3.17Å; I180-H183 PolarHBondContact O-ND1 3.04Å; D181-H183 PolarHBondContact O-N 2.85Å; H183-F185 PolarHBondContact O-N 2.87Å; H183-V186 HydrophobicContact CB-CG2 4.36Å; H183-R204 WeakPolarHBondContact O-CD 3.35Å; H183-R204 VanDerWaalsContact O-CZ 3.3Å; H183-R204 PolarHBondContact O-NE 2.98Å; H183-R204 VanDerWaalsContact O-NE 3.09Å; H183-H316 AromaticContact CE1-ND1 3.6Å; H183-H316 AromaticContact NE2-CD2 3.92Å; H183-H316 AromaticContact NE2-CE1 3.64Å; H183-H316 AromaticContact NE2-CG 3.29Å; H183-H316 VanDerWaalsContact NE2-CG 3.29Å; H183-H316 AromaticContact NE2-ND1 3.08Å; H183-H316 PolarHBondContact NE2-ND1 3.06Å; H183-Y318 PolarHBondContact CE1-OH 3.26Å
184	D	98.5	Very high	98.1	Very high	71 Å²	71	21.1 Å²	21.1	38%	0.38	13%	0.127	S	C	.	.	S	Bend	trans	-59.4	-34.7	178.7	-55	-43	0	0	0	111.7	H159 R160 R161 R204	H159-D184 HydrophobicContact CB-CB 4.09Å; R160-D184 WeakPolarHBondContact CA-OD2 3.17Å; R160-D184 VanDerWaalsContact CB-OD2 3.26Å; R160-D184 WeakPolarHBondContact CB-OD2 3.25Å; R160-D184 PolarHBondContact N-OD2 2.92Å; R161-D184 PolarHBondContact N-OD2 3.45Å; R161-D184 WeakPolarHBondContact O-CB 3.49Å; R161-D184 PolarHBondContact O-N 3.43Å; D184-R204 PolarHBondContact O-NH2 3.45Å
185	F	98.7	Very high	98	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.039	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.1	-175.5	-162.1	-90.2	0	0	0	111.6	M154 H159 C162 A163 H183 I187 N206 L207 F311	M154-F185 HydrophobicContact CE-CE2 4.33Å; M154-F185 HydrophobicContact CE-CZ 3.95Å; H159-F185 HydrophobicContact CB-CB 4Å; H159-F185 AromaticContact CD2-CD2 3.5Å; H159-F185 VanDerWaalsContact CD2-CD2 3.5Å; H159-F185 WeakPolarHBondContact CD2-CD2 3.35Å; H159-F185 AromaticContact CD2-CG 3.61Å; H159-F185 AromaticContact CE1-CD2 3.69Å; H159-F185 AromaticContact NE2-CD2 3.22Å; H159-F185 WeakPolarHBondContact NE2-CD2 3.32Å; H159-F185 AromaticContact NE2-CE2 3.64Å; H159-F185 AromaticContact NE2-CG 3.87Å; C162-F185 CarbonylContact C-O 3.58Å; C162-F185 VanDerWaalsContact CA-O 3.24Å; C162-F185 WeakPolarHBondContact CA-O 3.47Å; A163-F185 PolarHBondContact N-O 3.35Å; H183-F185 PolarHBondContact O-N 2.87Å; F185-I187 HydrophobicContact CD1-CD1 4.3Å; F185-I187 HydrophobicContact CD1-CG1 3.79Å; F185-I187 HydrophobicContact CE1-CD1 4.19Å; F185-I187 HydrophobicContact CE1-CG1 3.63Å; F185-N206 WeakPolarHBondContact CA-OD1 3.4Å; F185-N206 HydrophobicContact CD1-CB 4.19Å; F185-N206 HydrophobicContact CD2-CB 3.51Å; F185-N206 HydrophobicContact CE1-CB 4.13Å; F185-N206 HydrophobicContact CE2-CB 3.45Å; F185-N206 VanDerWaalsContact CE2-CB 3.45Å; F185-N206 HydrophobicContact CG-CB 3.9Å; F185-N206 HydrophobicContact CZ-CB 3.77Å; F185-L207 HydrophobicContact CE1-CB 3.83Å; F185-L207 HydrophobicContact CZ-CB 3.89Å; F185-F311 HydrophobicContact CD1-CE2 4.12Å; F185-F311 AromaticContact CE1-CE2 3.92Å; F185-F311 HydrophobicContact CE1-CE2 3.92Å
186	V	98.9	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.7	-179.5	-174.1	0	0	0	0	111	A163 V165 I180 H183 R188 R204 N206 L207	A163-V186 HydrophobicContact CB-CG1 4.37Å; A163-V186 HydrophobicContact CB-CG2 4.28Å; A163-V186 WeakPolarHBondContact O-CA 3.43Å; V165-V186 HydrophobicContact CG2-CG1 4.01Å; I180-V186 HydrophobicContact CG2-CG1 3.95Å; I180-V186 HydrophobicContact CG2-CG2 4.33Å; H183-V186 HydrophobicContact CB-CG2 4.36Å; V186-R188 HydrophobicContact CG1-CG 4.2Å; V186-R204 HydrophobicContact CB-CG 4.31Å; V186-R204 WeakPolarHBondContact CB-O 3.31Å; V186-R204 VanDerWaalsContact CG1-O 3.29Å; V186-R204 WeakPolarHBondContact CG1-O 3.43Å; V186-R204 HydrophobicContact CG2-CB 3.96Å; V186-R204 HydrophobicContact CG2-CG 3.76Å; V186-N206 PolarHBondContact N-OD1 3.04Å; V186-N206 PolarHBondContact O-N 3.42Å; V186-L207 PolarHBondContact O-N 2.96Å; V186-L207 VanDerWaalsContact O-N 3.15Å
187	I	98.9	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.5	176.4	-60	170	0	0	0	109.4	A163 I164 V165 F185 L207 M304 A308 F311	A163-I187 PolarHBondContact O-N 2.96Å; I164-I187 WeakPolarHBondContact CA-O 3.29Å; I164-I187 HydrophobicContact CB-CB 4.5Å; I164-I187 HydrophobicContact CD1-CD1 4.27Å; I164-I187 HydrophobicContact CG1-CB 4.29Å; I164-I187 HydrophobicContact CG1-CD1 4.17Å; I164-I187 HydrophobicContact CG2-CB 4.21Å; I164-I187 HydrophobicContact CG2-CG2 4.19Å; V165-I187 PolarHBondContact N-O 2.67Å; F185-I187 HydrophobicContact CD1-CD1 4.3Å; F185-I187 HydrophobicContact CD1-CG1 3.79Å; F185-I187 HydrophobicContact CE1-CD1 4.19Å; F185-I187 HydrophobicContact CE1-CG1 3.63Å; I187-L207 CarbonylContact C-O 3.58Å; I187-L207 VanDerWaalsContact CA-O 3.32Å; I187-L207 WeakPolarHBondContact CA-O 3.29Å; I187-L207 HydrophobicContact CG1-CB 4.31Å; I187-L207 HydrophobicContact CG2-CD2 3.8Å; I187-M304 HydrophobicContact CG2-CB 3.9Å; I187-M304 HydrophobicContact CG2-CG 3.76Å; I187-M304 HydrophobicContact CG2-SD 3.87Å; I187-A308 HydrophobicContact CD1-CB 3.78Å; I187-F311 HydrophobicContact CD1-CE2 4.05Å; I187-F311 HydrophobicContact CD1-CZ 3.93Å
188	R	98.8	Very high	97.9	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.7	178.2	-60.3	-172.2	-177.8	-89.2	-9.3	112.3	V165 D181 V186 V201 G202 R204 T205 L207 V208 T209	V165-R188 HydrophobicContact CB-CG 4.36Å; D181-R188 IonicContact OD1-NH2 3.69Å; V186-R188 HydrophobicContact CG1-CG 4.2Å; R188-V201 VanDerWaalsContact CZ-O 3.25Å; R188-V201 PolarHBondContact NH1-O 2.94Å; R188-V201 PolarHBondContact NH2-O 3.1Å; R188-G202 PolarHBondContact NH2-O 3.18Å; R188-G202 VanDerWaalsContact NH2-O 3.09Å; R188-R204 VanDerWaalsContact CZ-O 3.27Å; R188-R204 PolarHBondContact NE-O 3.29Å; R188-R204 PolarHBondContact NH2-O 2.96Å; R188-T205 VanDerWaalsContact CD-OG1 3.27Å; R188-T205 WeakPolarHBondContact CD-OG1 3.08Å; R188-T205 HydrophobicContact CG-CG2 4.37Å; R188-T205 PolarHBondContact NE-OG1 3.41Å; R188-L207 PolarHBondContact N-O 2.92Å; R188-V208 HydrophobicContact CB-CB 4.26Å; R188-V208 HydrophobicContact CB-CG2 3.89Å; R188-V208 WeakPolarHBondContact O-CA 3.29Å; R188-T209 PolarHBondContact O-N 3.19Å
189	C	98.3	Very high	97.9	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.034	19%	0.189	C	C	.	.	S	Bend	trans	-105.6	129.5	-178.1	-60.9	0	0	0	0	112.8	V165 N167 L191 A192 T300	V165-C189 PolarHBondContact O-N 3.18Å; N167-C189 PolarHBondContact ND2-O 3.31Å; N167-C189 WeakPolarHBondContact OD1-CB 3.28Å; N167-C189 PolarHBondContact OD1-O 2.92Å; C189-L191 PolarHBondContact O-N 3.01Å; C189-A192 PolarHBondContact O-N 3.22Å; C189-T300 HydrophobicContact CB-CG2 4.15Å
190	N	97.9	Very high	97.9	Very high	29 Å²	29	35.6 Å²	35.6	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	42.5	162.2	-57.1	-41.4	0	0	0	115.3	A192 T209 V214	N190-A192 PolarHBondContact O-N 3.28Å; N190-A192 VanDerWaalsContact O-N 3.08Å; N190-T209 CarbonylContact C-O 3.26Å; N190-T209 WeakPolarHBondContact CA-O 3.38Å; N190-T209 PolarHBondContact N-O 3.07Å; N190-T209 PolarHBondContact N-OG1 2.83Å; N190-T209 PolarHBondContact OD1-OG1 3.36Å; N190-V214 HydrophobicContact CB-CG2 3.69Å; N190-V214 WeakPolarHBondContact O-CG2 3.18Å
191	L	97.6	Very high	97.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	34.8	-177	-65.6	178.6	0	0	0	115	C189 V208 T209 M210 V214 F231 R234 L235 L238 L243	C189-L191 PolarHBondContact O-N 3.01Å; L191-V208 HydrophobicContact CD2-CB 4.42Å; L191-V208 HydrophobicContact CD2-CG1 3.66Å; L191-V208 HydrophobicContact CD2-CG2 3.84Å; L191-V208 HydrophobicContact CG-CG2 4.49Å; L191-T209 PolarHBondContact N-O 2.94Å; L191-M210 HydrophobicContact CD1-CB 3.97Å; L191-M210 HydrophobicContact CD1-CG 3.54Å; L191-M210 HydrophobicContact CD1-SD 3.68Å; L191-M210 HydrophobicContact CG-CB 3.99Å; L191-M210 HydrophobicContact CG-CG 4.03Å; L191-V214 HydrophobicContact CB-CG1 4.26Å; L191-F231 HydrophobicContact CD1-CE2 3.81Å; L191-R234 HydrophobicContact CB-CG 4.26Å; L191-R234 PolarHBondContact O-NH1 3.47Å; L191-L235 HydrophobicContact CD1-CD2 4.16Å; L191-L238 HydrophobicContact CD2-CD1 3.83Å; L191-L238 HydrophobicContact CD2-CD2 4.27Å; L191-L243 HydrophobicContact CD2-CD1 3.94Å; L191-L243 HydrophobicContact CG-CD1 4.48Å
192	A	97.4	Very high	97.9	Very high	7 Å²	7	33.2 Å²	33.2	6%	0.058	17%	0.172	C	C	.	.			trans	-54.1	141.7	175.8	0	0	0	0	0	111.5	C189 N190 Y336 Y337	C189-A192 PolarHBondContact O-N 3.22Å; N190-A192 PolarHBondContact O-N 3.28Å; N190-A192 VanDerWaalsContact O-N 3.08Å; A192-Y336 VanDerWaalsContact CB-OH 3.27Å; A192-Y336 WeakPolarHBondContact CB-OH 3.31Å; A192-Y337 HydrophobicContact CB-CD1 4.02Å; A192-Y337 HydrophobicContact CB-CE1 3.51Å
193	P	96.9	Very high	97.9	Very high	15 Å²	15	36.3 Å²	36.3	10%	0.097	17%	0.173	C	C	.	.			trans	-61.3	147.9	176.4	25.1	-33.1	0	0	0	111.9	E196 Y197 Y336 Y337	P193-E196 WeakPolarHBondContact CB-OE2 3.3Å; P193-Y197 HydrophobicContact CB-CD2 4.11Å; P193-Y197 HydrophobicContact CB-CE2 4.15Å; P193-Y197 HydrophobicContact CG-CD2 3.99Å; P193-Y197 HydrophobicContact CG-CE2 3.79Å; P193-Y336 HydrophobicContact CG-CE2 4.45Å; P193-Y336 VanDerWaalsContact O-CE2 3.28Å; P193-Y336 WeakPolarHBondContact O-CE2 3.45Å; P193-Y336 PolarHBondContact O-OH 2.86Å; P193-Y337 HydrophobicContact CG-CD1 4.01Å; P193-Y337 HydrophobicContact CG-CD2 4.16Å; P193-Y337 HydrophobicContact CG-CG 3.56Å
194	V	96.9	Very high	97.9	Very high	24 Å²	24	41.2 Å²	41.2	15%	0.145	19%	0.191	C	C	.	.			trans	-129.5	-30.6	-176	-66.1	0	0	0	0	113	Y197 S198 V201	V194-Y197 CarbonylContact O-C 3.45Å; V194-Y197 PolarHBondContact O-N 3.47Å; V194-S198 WeakPolarHBondContact O-CA 3.29Å; V194-S198 WeakPolarHBondContact O-CB 3.41Å; V194-S198 PolarHBondContact O-N 2.91Å; V194-V201 HydrophobicContact CB-CG2 4.41Å; V194-V201 HydrophobicContact CG1-CG2 4.36Å
195	E	95	Very high	97.9	Very high	93 Å²	93	39 Å²	39	44%	0.435	18%	0.18	S	C	.	.	S	Bend	trans	-73.8	-45.7	-169.7	-166.9	55.1	-140.7	0	0	110.9	Y197 S198 R203	E195-Y197 PolarHBondContact O-N 3.04Å; E195-S198 PolarHBondContact O-N 3.24Å; E195-S198 PolarHBondContact O-OG 3.35Å; E195-R203 VanDerWaalsContact CD-NE 3.32Å; E195-R203 IonicContact OE1-CZ 3.38Å; E195-R203 IonicContact OE1-NE 3.16Å; E195-R203 PolarHBondContact OE1-NE 3.21Å; E195-R203 IonicContact OE1-NH2 2.69Å; E195-R203 PolarHBondContact OE1-NH2 3.07Å; E195-R203 IonicContact OE2-NE 3.76Å; E195-R203 PolarHBondContact OE2-NE 3.27Å
196	E	95.7	Very high	97.9	Very high	125 Å²	125	40.3 Å²	40.3	58%	0.584	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-13	178.7	-45	91.4	144.2	0	0	112.8	P193 R234	P193-E196 WeakPolarHBondContact CB-OE2 3.3Å; E196-R234 IonicContact OE1-NH2 3.86Å
197	Y	98.1	Very high	97.9	Very high	60 Å²	60	40.3 Å²	40.3	24%	0.235	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	12.9	-176.1	-59.8	-78.7	0	0	0	112.2	L172 P193 V194 E195 Q199 D200 V201 Y336 Y337	L172-Y197 HydrophobicContact CD2-CD1 4Å; L172-Y197 HydrophobicContact CD2-CE1 4.02Å; P193-Y197 HydrophobicContact CB-CD2 4.11Å; P193-Y197 HydrophobicContact CB-CE2 4.15Å; P193-Y197 HydrophobicContact CG-CD2 3.99Å; P193-Y197 HydrophobicContact CG-CE2 3.79Å; V194-Y197 CarbonylContact O-C 3.45Å; V194-Y197 PolarHBondContact O-N 3.47Å; E195-Y197 PolarHBondContact O-N 3.04Å; Y197-Q199 PolarHBondContact O-N 3.07Å; Y197-Q199 VanDerWaalsContact O-N 3.1Å; Y197-D200 PolarHBondContact O-N 2.89Å; Y197-V201 PolarHBondContact O-N 2.9Å; Y197-Y336 AromaticContact CD1-CD2 3.85Å; Y197-Y336 HydrophobicContact CD1-CD2 3.85Å; Y197-Y336 HydrophobicContact CD1-CE2 4.48Å; Y197-Y336 AromaticContact CD2-CD2 3.88Å; Y197-Y336 HydrophobicContact CD2-CD2 3.88Å; Y197-Y336 AromaticContact CD2-CE2 3.8Å; Y197-Y336 HydrophobicContact CD2-CE2 3.8Å; Y197-Y336 HydrophobicContact CE1-CD2 4.29Å; Y197-Y336 HydrophobicContact CE2-CD2 4.31Å; Y197-Y336 HydrophobicContact CE2-CE2 4.47Å; Y197-Y336 AromaticContact CG-CD2 3.65Å; Y197-Y336 HydrophobicContact CG-CD2 3.65Å; Y197-Y336 AromaticContact CG-CE2 3.82Å; Y197-Y336 HydrophobicContact CG-CE2 3.82Å; Y197-Y337 WeakPolarHBondContact OH-CA 3.39Å
198	S	98.1	Very high	97.9	Very high	29 Å²	29	40.5 Å²	40.5	20%	0.203	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-29	-164.5	61.7	0	0	0	0	114	V194 E195 D200 G202	V194-S198 WeakPolarHBondContact O-CA 3.29Å; V194-S198 WeakPolarHBondContact O-CB 3.41Å; V194-S198 PolarHBondContact O-N 2.91Å; E195-S198 PolarHBondContact O-N 3.24Å; E195-S198 PolarHBondContact O-OG 3.35Å; S198-D200 VanDerWaalsContact C-N 3.29Å; S198-D200 PolarHBondContact O-N 3.48Å; S198-G202 VanDerWaalsContact O-CA 3.25Å; S198-G202 WeakPolarHBondContact O-CA 3.33Å; S198-G202 PolarHBondContact O-N 2.99Å
199	Q	98	Very high	97.9	Very high	134 Å²	134	40.3 Å²	40.3	63%	0.626	19%	0.189	S	C	*	.	H	α-helix	trans	-61.8	-35.8	173.7	-179.7	174.7	-6.8	0	0	112.5	S175 G177 Y197	S175-Q199 CarbonylContact C-O 3.36Å; S175-Q199 VanDerWaalsContact C-O 3.26Å; S175-Q199 WeakPolarHBondContact CA-O 3.33Å; G177-Q199 WeakPolarHBondContact CA-O 3.11Å; G177-Q199 PolarHBondContact N-O 2.91Å; Y197-Q199 PolarHBondContact O-N 3.07Å; Y197-Q199 VanDerWaalsContact O-N 3.1Å
200	D	98.5	Very high	97.8	Very high	16 Å²	16	40.1 Å²	40.1	9%	0.086	19%	0.187	C	C	.	.	H	α-helix	trans	-94.8	-37.4	-176.6	-78.2	-32.2	0	0	0	112.9	L171 L172 N173 S174 S175 C176 G177 Y197 S198	L171-D200 WeakPolarHBondContact O-CB 3.5Å; L172-D200 WeakPolarHBondContact CA-OD2 3.29Å; N173-D200 VanDerWaalsContact CA-OD1 3.28Å; N173-D200 WeakPolarHBondContact CA-OD1 3.27Å; N173-D200 VanDerWaalsContact N-CG 3.26Å; N173-D200 PolarHBondContact N-OD1 2.92Å; N173-D200 VanDerWaalsContact N-OD1 3.14Å; N173-D200 PolarHBondContact N-OD2 2.91Å; S174-D200 PolarHBondContact N-OD1 2.97Å; S174-D200 PolarHBondContact OG-O 3.42Å; S175-D200 PolarHBondContact N-OD1 2.9Å; C176-D200 CarbonylContact C-O 3.5Å; C176-D200 WeakPolarHBondContact CB-O 3.19Å; G177-D200 PolarHBondContact N-O 3.27Å; Y197-D200 PolarHBondContact O-N 2.89Å; S198-D200 VanDerWaalsContact C-N 3.29Å; S198-D200 PolarHBondContact O-N 3.48Å
201	V	98.5	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-115.6	-7.7	-169.2	-44.5	0	0	0	0	114.1	L171 R188 V194 Y197 Y336	L171-V201 HydrophobicContact CB-CG1 4.19Å; L171-V201 HydrophobicContact CD1-CG1 3.96Å; R188-V201 VanDerWaalsContact CZ-O 3.25Å; R188-V201 PolarHBondContact NH1-O 2.94Å; R188-V201 PolarHBondContact NH2-O 3.1Å; V194-V201 HydrophobicContact CB-CG2 4.41Å; V194-V201 HydrophobicContact CG1-CG2 4.36Å; Y197-V201 PolarHBondContact O-N 2.9Å; V201-Y336 HydrophobicContact CG1-CD1 4.24Å; V201-Y336 HydrophobicContact CG1-CD2 4.21Å; V201-Y336 HydrophobicContact CG1-CE1 3.98Å; V201-Y336 HydrophobicContact CG1-CE2 3.94Å; V201-Y336 HydrophobicContact CG1-CG 4.36Å; V201-Y336 HydrophobicContact CG2-CE2 4.33Å
202	G	98.3	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.			trans	72.4	165.2	-177.5	0	0	0	0	0	113.1	G177 D181 R188 S198	G177-G202 VanDerWaalsContact CA-N 3.27Å; D181-G202 VanDerWaalsContact OD1-CA 3.26Å; D181-G202 WeakPolarHBondContact OD1-CA 3.4Å; D181-G202 WeakPolarHBondContact OD2-CA 3.29Å; R188-G202 PolarHBondContact NH2-O 3.18Å; R188-G202 VanDerWaalsContact NH2-O 3.09Å; S198-G202 VanDerWaalsContact O-CA 3.25Å; S198-G202 WeakPolarHBondContact O-CA 3.33Å; S198-G202 PolarHBondContact O-N 2.99Å
203	R	98	Very high	97.6	Very high	136 Å²	136	42.7 Å²	42.7	51%	0.513	20%	0.203	S	C	.	.	S	Bend	trans	-97.1	-29.7	176	-66.9	-172.5	172.4	104.4	-3.4	113.1	D181 E195 T205	D181-R203 VanDerWaalsContact CG-N 3.33Å; D181-R203 PolarHBondContact OD1-N 2.04Å; D181-R203 PolarHBondContact OD2-N 2.9Å; E195-R203 VanDerWaalsContact CD-NE 3.32Å; E195-R203 IonicContact OE1-CZ 3.38Å; E195-R203 IonicContact OE1-NE 3.16Å; E195-R203 PolarHBondContact OE1-NE 3.21Å; E195-R203 IonicContact OE1-NH2 2.69Å; E195-R203 PolarHBondContact OE1-NH2 3.07Å; E195-R203 IonicContact OE2-NE 3.76Å; E195-R203 PolarHBondContact OE2-NE 3.27Å; R203-T205 PolarHBondContact O-N 2.91Å; R203-T205 PolarHBondContact O-OG1 3.01Å
204	R	98.3	Very high	97.5	Very high	104 Å²	104	42.3 Å²	42.3	39%	0.392	20%	0.2	S	C	.	.			trans	-59.6	131.4	-172.3	-174.4	176.4	-176.4	126.8	-1.9	110.4	D181 H183 D184 V186 R188 N206	D181-R204 HydrophobicContact CB-CB 4.15Å; D181-R204 WeakPolarHBondContact O-CD 3.22Å; D181-R204 WeakPolarHBondContact OD1-CB 3.31Å; D181-R204 PolarHBondContact OD1-N 3.38Å; H183-R204 WeakPolarHBondContact O-CD 3.35Å; H183-R204 VanDerWaalsContact O-CZ 3.3Å; H183-R204 PolarHBondContact O-NE 2.98Å; H183-R204 VanDerWaalsContact O-NE 3.09Å; D184-R204 PolarHBondContact O-NH2 3.45Å; V186-R204 HydrophobicContact CB-CG 4.31Å; V186-R204 WeakPolarHBondContact CB-O 3.31Å; V186-R204 VanDerWaalsContact CG1-O 3.29Å; V186-R204 WeakPolarHBondContact CG1-O 3.43Å; V186-R204 HydrophobicContact CG2-CB 3.96Å; V186-R204 HydrophobicContact CG2-CG 3.76Å; R188-R204 VanDerWaalsContact CZ-O 3.27Å; R188-R204 PolarHBondContact NE-O 3.29Å; R188-R204 PolarHBondContact NH2-O 2.96Å; R204-N206 PolarHBondContact NE-OD1 2.89Å
205	T	98.6	Very high	97.5	Very high	24 Å²	24	41.1 Å²	41.1	15%	0.147	19%	0.193	C	C	.	.			trans	-139.4	135.6	175.3	-55.6	0	0	0	0	107.2	R188 R203 V208 S241	R188-T205 VanDerWaalsContact CD-OG1 3.27Å; R188-T205 WeakPolarHBondContact CD-OG1 3.08Å; R188-T205 HydrophobicContact CG-CG2 4.37Å; R188-T205 PolarHBondContact NE-OG1 3.41Å; R203-T205 PolarHBondContact O-N 2.91Å; R203-T205 PolarHBondContact O-OG1 3.01Å; T205-V208 HydrophobicContact CG2-CB 3.97Å; T205-V208 HydrophobicContact CG2-CG1 4.36Å; T205-S241 PolarHBondContact O-OG 3.3Å; T205-S241 VanDerWaalsContact O-OG 3.05Å
206	N	98.6	Very high	97.4	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	19%	0.194	C	C	.	.	S	Bend	trans	-127.2	-28.9	174.6	-58.5	107.2	0	0	0	111.4	F185 V186 R204 V242	F185-N206 WeakPolarHBondContact CA-OD1 3.4Å; F185-N206 HydrophobicContact CD1-CB 4.19Å; F185-N206 HydrophobicContact CD2-CB 3.51Å; F185-N206 HydrophobicContact CE1-CB 4.13Å; F185-N206 HydrophobicContact CE2-CB 3.45Å; F185-N206 VanDerWaalsContact CE2-CB 3.45Å; F185-N206 HydrophobicContact CG-CB 3.9Å; F185-N206 HydrophobicContact CZ-CB 3.77Å; V186-N206 PolarHBondContact N-OD1 3.04Å; V186-N206 PolarHBondContact O-N 3.42Å; R204-N206 PolarHBondContact NE-OD1 2.89Å; N206-V242 PolarHBondContact O-N 3.3Å
207	L	98.8	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.7	166.3	-175.4	153.9	0	0	0	109.4	I115 F185 V186 I187 R188 T209 V242 W244 M304	I115-L207 HydrophobicContact CD1-CD1 3.74Å; F185-L207 HydrophobicContact CE1-CB 3.83Å; F185-L207 HydrophobicContact CZ-CB 3.89Å; V186-L207 PolarHBondContact O-N 2.96Å; V186-L207 VanDerWaalsContact O-N 3.15Å; I187-L207 CarbonylContact C-O 3.58Å; I187-L207 VanDerWaalsContact CA-O 3.32Å; I187-L207 WeakPolarHBondContact CA-O 3.29Å; I187-L207 HydrophobicContact CG1-CB 4.31Å; I187-L207 HydrophobicContact CG2-CD2 3.8Å; R188-L207 PolarHBondContact N-O 2.92Å; L207-T209 HydrophobicContact CD2-CG2 4.33Å; L207-V242 CarbonylContact C-O 3.6Å; L207-V242 WeakPolarHBondContact CA-O 3.27Å; L207-V242 HydrophobicContact CB-CB 4.13Å; L207-V242 HydrophobicContact CD1-CB 4.15Å; L207-V242 HydrophobicContact CD1-CG1 4.02Å; L207-V242 HydrophobicContact CG-CB 3.95Å; L207-V242 HydrophobicContact CG-CG1 4.1Å; L207-W244 HydrophobicContact CD2-CB 4.27Å; L207-M304 HydrophobicContact CD2-SD 3.7Å
208	V	98.8	Very high	97.1	Very high	4 Å²	4	40 Å²	40	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.1	170.6	64	0	0	0	0	110.8	R188 L191 T205 L238 V242 L243 W244	R188-V208 HydrophobicContact CB-CB 4.26Å; R188-V208 HydrophobicContact CB-CG2 3.89Å; R188-V208 WeakPolarHBondContact O-CA 3.29Å; L191-V208 HydrophobicContact CD2-CB 4.42Å; L191-V208 HydrophobicContact CD2-CG1 3.66Å; L191-V208 HydrophobicContact CD2-CG2 3.84Å; L191-V208 HydrophobicContact CG-CG2 4.49Å; T205-V208 HydrophobicContact CG2-CB 3.97Å; T205-V208 HydrophobicContact CG2-CG1 4.36Å; V208-L238 HydrophobicContact CG1-CD1 3.81Å; V208-L238 HydrophobicContact CG1-CD2 3.7Å; V208-L238 HydrophobicContact CG1-CG 4.39Å; V208-V242 PolarHBondContact N-O 2.85Å; V208-L243 HydrophobicContact CG1-CD1 4.03Å; V208-W244 PolarHBondContact O-N 2.99Å
209	T	98.8	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	150.2	173.4	75.3	0	0	0	0	111.3	R188 N190 L191 L207 W244 T300 M304	R188-T209 PolarHBondContact O-N 3.19Å; N190-T209 CarbonylContact C-O 3.26Å; N190-T209 WeakPolarHBondContact CA-O 3.38Å; N190-T209 PolarHBondContact N-O 3.07Å; N190-T209 PolarHBondContact N-OG1 2.83Å; N190-T209 PolarHBondContact OD1-OG1 3.36Å; L191-T209 PolarHBondContact N-O 2.94Å; L207-T209 HydrophobicContact CD2-CG2 4.33Å; T209-W244 CarbonylContact C-O 3.51Å; T209-W244 VanDerWaalsContact CA-O 3.28Å; T209-W244 WeakPolarHBondContact CA-O 3.25Å; T209-W244 HydrophobicContact CG2-CD2 4.26Å; T209-W244 HydrophobicContact CG2-CE3 3.5Å; T209-W244 HydrophobicContact CG2-CZ3 4.04Å; T209-T300 HydrophobicContact CG2-CG2 3.69Å; T209-T300 VanDerWaalsContact OG1-CG2 3.25Å; T209-T300 WeakPolarHBondContact OG1-CG2 3.33Å; T209-M304 HydrophobicContact CG2-CE 3.87Å; T209-M304 HydrophobicContact CG2-CG 3.92Å; T209-M304 HydrophobicContact CG2-SD 3.58Å; T209-M304 VanDerWaalsContact CG2-SD 3.58Å
210	M	98	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.			trans	-132.4	87.6	170.5	-175.6	-168.5	82.1	0	0	109.9	L191 F231 L243 W244 I245 P246 A260	L191-M210 HydrophobicContact CD1-CB 3.97Å; L191-M210 HydrophobicContact CD1-CG 3.54Å; L191-M210 HydrophobicContact CD1-SD 3.68Å; L191-M210 HydrophobicContact CG-CB 3.99Å; L191-M210 HydrophobicContact CG-CG 4.03Å; M210-F231 HydrophobicContact SD-CE2 4.11Å; M210-F231 HydrophobicContact SD-CZ 3.74Å; M210-L243 HydrophobicContact CB-CD1 3.86Å; M210-W244 PolarHBondContact N-O 3.34Å; M210-I245 HydrophobicContact CB-CG1 4.49Å; M210-I245 HydrophobicContact CE-CB 4.5Å; M210-I245 HydrophobicContact CE-CD1 3.81Å; M210-I245 HydrophobicContact CE-CG1 3.95Å; M210-I245 HydrophobicContact CE-CG2 3.81Å; M210-P246 WeakPolarHBondContact O-CD 3.23Å; M210-A260 HydrophobicContact CE-CB 3.62Å; M210-A260 HydrophobicContact SD-CB 4.06Å
211	N	97.1	Very high	96.8	Very high	51 Å²	51	38.7 Å²	38.7	27%	0.273	18%	0.184	S	C	.	.			trans	-61.6	135.8	167.4	-176.5	-73	0	0	0	109.2	S213 V214	N211-S213 PolarHBondContact O-N 3.26Å; N211-S213 WeakPolarHBondContact OD1-CB 3.43Å; N211-S213 PolarHBondContact OD1-N 2.94Å; N211-S213 PolarHBondContact OD1-OG 2.98Å; N211-V214 HydrophobicContact CB-CG2 4.46Å; N211-V214 VanDerWaalsContact O-CB 3.3Å; N211-V214 WeakPolarHBondContact O-CB 3.43Å; N211-V214 VanDerWaalsContact O-CG2 3.25Å; N211-V214 WeakPolarHBondContact O-CG2 3.15Å; N211-V214 PolarHBondContact O-N 3.36Å
212	P	96.4	Very high	96.7	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.058	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-33.2	-176.3	-28.5	35.7	0	0	0	114.3	V214 V215 R256 V257	P212-V214 PolarHBondContact O-N 3.34Å; P212-V215 PolarHBondContact O-N 2.81Å; P212-V215 VanDerWaalsContact O-N 3.09Å; P212-R256 HydrophobicContact CB-CB 4.2Å; P212-R256 WeakPolarHBondContact O-CD 3.4Å; P212-V257 HydrophobicContact CB-CG2 4.18Å; P212-V257 HydrophobicContact CG-CG2 3.64Å
213	S	94.2	Very high	96.6	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-6.2	176.5	67.3	0	0	0	0	115.2	N211 R217	N211-S213 PolarHBondContact O-N 3.26Å; N211-S213 WeakPolarHBondContact OD1-CB 3.43Å; N211-S213 PolarHBondContact OD1-N 2.94Å; N211-S213 PolarHBondContact OD1-OG 2.98Å; S213-R217 WeakPolarHBondContact O-CB 3.23Å; S213-R217 WeakPolarHBondContact O-CG 3.34Å; S213-R217 PolarHBondContact O-N 2.83Å; S213-R217 PolarHBondContact O-NE 3.44Å; S213-R217 PolarHBondContact OG-NH2 2.71Å
214	V	94.9	Very high	96.6	Very high	7 Å²	7	40 Å²	40	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-39	170.8	175.1	0	0	0	0	110.7	N190 L191 N211 P212 Q216 R217 A218 F219	N190-V214 HydrophobicContact CB-CG2 3.69Å; N190-V214 WeakPolarHBondContact O-CG2 3.18Å; L191-V214 HydrophobicContact CB-CG1 4.26Å; N211-V214 HydrophobicContact CB-CG2 4.46Å; N211-V214 VanDerWaalsContact O-CB 3.3Å; N211-V214 WeakPolarHBondContact O-CB 3.43Å; N211-V214 VanDerWaalsContact O-CG2 3.25Å; N211-V214 WeakPolarHBondContact O-CG2 3.15Å; N211-V214 PolarHBondContact O-N 3.36Å; P212-V214 PolarHBondContact O-N 3.34Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 2.79Å; V214-R217 PolarHBondContact O-N 2.76Å; V214-A218 HydrophobicContact CG1-CB 4.25Å; V214-A218 WeakPolarHBondContact O-CB 3.38Å; V214-A218 PolarHBondContact O-N 3.05Å; V214-F219 HydrophobicContact CG1-CD2 4.34Å; V214-F219 HydrophobicContact CG1-CE2 4.01Å
215	V	96.8	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-42.8	179.7	-173.9	0	0	0	0	110.4	P212 F219 Q220 D221 L222 F231 R256 W259	P212-V215 PolarHBondContact O-N 2.81Å; P212-V215 VanDerWaalsContact O-N 3.09Å; V215-F219 CarbonylContact O-C 3.11Å; V215-F219 VanDerWaalsContact O-CA 3.29Å; V215-F219 WeakPolarHBondContact O-CA 3.39Å; V215-F219 WeakPolarHBondContact O-CB 3.28Å; V215-F219 PolarHBondContact O-N 2.95Å; V215-F219 VanDerWaalsContact O-N 3.12Å; V215-Q220 PolarHBondContact O-N 3.34Å; V215-D221 PolarHBondContact O-N 2.94Å; V215-D221 VanDerWaalsContact O-N 3.12Å; V215-L222 HydrophobicContact CG1-CD1 4.05Å; V215-L222 HydrophobicContact CG1-CD2 4.01Å; V215-L222 HydrophobicContact CG1-CG 3.7Å; V215-F231 HydrophobicContact CG2-CE1 4.29Å; V215-F231 HydrophobicContact CG2-CE2 4.28Å; V215-F231 HydrophobicContact CG2-CZ 3.85Å; V215-R256 HydrophobicContact CB-CB 4.01Å; V215-R256 HydrophobicContact CB-CG 4.1Å; V215-R256 HydrophobicContact CG1-CB 4.41Å; V215-R256 HydrophobicContact CG1-CG 4.34Å; V215-R256 HydrophobicContact CG2-CB 4.12Å; V215-W259 HydrophobicContact CG1-CE3 4.05Å; V215-W259 HydrophobicContact CG1-CZ3 4.42Å
216	Q	94.1	Very high	96.5	Very high	94 Å²	94	43.9 Å²	43.9	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-55.1	171.8	-174.8	175	40.8	0	0	112.8	V214 Q220 D221 R256	V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 2.79Å; Q216-Q220 WeakPolarHBondContact O-CA 3.43Å; Q216-Q220 PolarHBondContact O-N 3.44Å; Q216-D221 WeakPolarHBondContact CA-OD1 3.21Å; Q216-D221 VanDerWaalsContact CB-OD1 3.3Å; Q216-D221 WeakPolarHBondContact CB-OD1 3.26Å; Q216-D221 WeakPolarHBondContact CG-OD2 3.47Å; Q216-D221 PolarHBondContact N-OD1 3.09Å; Q216-R256 VanDerWaalsContact CD-NH2 3.33Å
217	R	91.8	Very high	96.5	Very high	115 Å²	115	44.1 Å²	44.1	43%	0.434	23%	0.231	S	C	.	.	H	α-helix	trans	-78.7	-29.4	-165.2	-70.8	-179.4	-68.7	134.7	-6.9	114.4	S213 V214	S213-R217 WeakPolarHBondContact O-CB 3.23Å; S213-R217 WeakPolarHBondContact O-CG 3.34Å; S213-R217 PolarHBondContact O-N 2.83Å; S213-R217 PolarHBondContact O-NE 3.44Å; S213-R217 PolarHBondContact OG-NH2 2.71Å; V214-R217 PolarHBondContact O-N 2.76Å
218	A	93.9	Very high	96.5	Very high	45 Å²	45	47.8 Å²	47.8	37%	0.372	25%	0.247	S	C	.	.	H	α-helix	trans	-110.8	-18.9	-177.4	0	0	0	0	0	113.3	V214 W227	V214-A218 HydrophobicContact CG1-CB 4.25Å; V214-A218 WeakPolarHBondContact O-CB 3.38Å; V214-A218 PolarHBondContact O-N 3.05Å; A218-W227 VanDerWaalsContact O-CZ3 3.31Å; A218-W227 WeakPolarHBondContact O-CZ3 3.48Å
219	F	96.4	Very high	96.5	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.044	27%	0.271	C	S	.	.	H	α-helix	trans	-131.1	19.7	-175.4	-53.4	-81.7	0	0	0	113.3	V214 V215 D221 L222 W227 R230 F231 R234	V214-F219 HydrophobicContact CG1-CD2 4.34Å; V214-F219 HydrophobicContact CG1-CE2 4.01Å; V215-F219 CarbonylContact O-C 3.11Å; V215-F219 VanDerWaalsContact O-CA 3.29Å; V215-F219 WeakPolarHBondContact O-CA 3.39Å; V215-F219 WeakPolarHBondContact O-CB 3.28Å; V215-F219 PolarHBondContact O-N 2.95Å; V215-F219 VanDerWaalsContact O-N 3.12Å; F219-D221 PolarHBondContact O-N 2.92Å; F219-L222 HydrophobicContact CB-CD2 3.71Å; F219-L222 PolarHBondContact O-N 3.32Å; F219-W227 HydrophobicContact CB-CE3 4.47Å; F219-W227 HydrophobicContact CD1-CE3 4.48Å; F219-W227 WeakPolarHBondContact O-CB 3.05Å; F219-R230 HydrophobicContact CD1-CB 4.22Å; F219-R230 HydrophobicContact CE1-CB 4.33Å; F219-F231 HydrophobicContact CB-CB 4.19Å; F219-F231 HydrophobicContact CD1-CB 3.62Å; F219-F231 HydrophobicContact CD1-CD2 4.15Å; F219-F231 HydrophobicContact CD1-CG 4.3Å; F219-F231 HydrophobicContact CD2-CB 4.45Å; F219-F231 AromaticContact CD2-CD2 3.59Å; F219-F231 HydrophobicContact CD2-CD2 3.59Å; F219-F231 HydrophobicContact CD2-CE2 4.22Å; F219-F231 HydrophobicContact CD2-CG 4.28Å; F219-F231 HydrophobicContact CE1-CB 4.1Å; F219-F231 HydrophobicContact CE1-CD2 4.21Å; F219-F231 AromaticContact CE2-CD2 3.66Å; F219-F231 HydrophobicContact CE2-CD2 3.66Å; F219-F231 HydrophobicContact CE2-CE2 4.23Å; F219-F231 HydrophobicContact CG-CB 3.82Å; F219-F231 AromaticContact CG-CD2 3.86Å; F219-F231 HydrophobicContact CG-CD2 3.86Å; F219-F231 HydrophobicContact CG-CG 4.11Å; F219-F231 AromaticContact CZ-CD2 3.99Å; F219-F231 HydrophobicContact CZ-CD2 3.99Å; F219-R234 HydrophobicContact CE1-CB 4.27Å; F219-R234 HydrophobicContact CZ-CB 3.95Å; F219-R234 HydrophobicContact CZ-CG 3.96Å
220	Q	95.6	Very high	96.4	Very high	106 Å²	106	57.5 Å²	57.5	50%	0.495	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	46.2	39.2	174.3	-59.2	-166.8	-0.5	0	0	115	V215 Q216 L222 V223 W227	V215-Q220 PolarHBondContact O-N 3.34Å; Q216-Q220 WeakPolarHBondContact O-CA 3.43Å; Q216-Q220 PolarHBondContact O-N 3.44Å; Q220-L222 PolarHBondContact O-N 3.37Å; Q220-L222 VanDerWaalsContact O-N 3.08Å; Q220-V223 HydrophobicContact CB-CG2 4.23Å; Q220-V223 VanDerWaalsContact O-CG1 3.32Å; Q220-V223 WeakPolarHBondContact O-CG1 3.3Å; Q220-V223 WeakPolarHBondContact O-CG2 3.17Å; Q220-V223 PolarHBondContact O-N 2.9Å; Q220-W227 HydrophobicContact CB-CD2 4.19Å; Q220-W227 HydrophobicContact CB-CG 4.17Å; Q220-W227 VanDerWaalsContact CD-CE2 3.4Å; Q220-W227 VanDerWaalsContact CD-CZ2 3.42Å; Q220-W227 HydrophobicContact CG-CD2 4.15Å; Q220-W227 HydrophobicContact CG-CH2 4.33Å; Q220-W227 HydrophobicContact CG-CZ2 3.73Å; Q220-W227 VanDerWaalsContact NE2-CZ2 3.31Å
221	D	96.6	Very high	96.4	Very high	35 Å²	35	57.5 Å²	57.5	19%	0.187	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	54.1	28.5	-177	-72.9	-33.4	0	0	0	114.2	V215 Q216 F219 V223 R256 W259	V215-D221 PolarHBondContact O-N 2.94Å; V215-D221 VanDerWaalsContact O-N 3.12Å; Q216-D221 WeakPolarHBondContact CA-OD1 3.21Å; Q216-D221 VanDerWaalsContact CB-OD1 3.3Å; Q216-D221 WeakPolarHBondContact CB-OD1 3.26Å; Q216-D221 WeakPolarHBondContact CG-OD2 3.47Å; Q216-D221 PolarHBondContact N-OD1 3.09Å; F219-D221 PolarHBondContact O-N 2.92Å; D221-V223 PolarHBondContact O-N 3.33Å; D221-V223 VanDerWaalsContact O-N 3.14Å; D221-R256 IonicContact OD1-CZ 2.71Å; D221-R256 IonicContact OD1-NE 2.67Å; D221-R256 PolarHBondContact OD1-NE 3.32Å; D221-R256 IonicContact OD1-NH2 2.69Å; D221-R256 PolarHBondContact OD1-NH2 2.9Å; D221-R256 IonicContact OD2-CZ 3.33Å; D221-R256 IonicContact OD2-NE 3.18Å; D221-R256 IonicContact OD2-NH2 2.79Å; D221-R256 PolarHBondContact OD2-NH2 3.17Å; D221-W259 HydrophobicContact CB-CH2 4.05Å; D221-W259 HydrophobicContact CB-CZ3 3.79Å; D221-W259 WeakPolarHBondContact O-CH2 3.42Å; D221-W259 VanDerWaalsContact O-CZ3 3.23Å; D221-W259 WeakPolarHBondContact O-CZ3 3.25Å
222	L	97.2	Very high	96.5	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	56.8	28.6	173.7	-47	-177.3	0	0	0	114.3	V215 F219 Q220 S224 K228 F231 W259 L263	V215-L222 HydrophobicContact CG1-CD1 4.05Å; V215-L222 HydrophobicContact CG1-CD2 4.01Å; V215-L222 HydrophobicContact CG1-CG 3.7Å; F219-L222 HydrophobicContact CB-CD2 3.71Å; F219-L222 PolarHBondContact O-N 3.32Å; Q220-L222 PolarHBondContact O-N 3.37Å; Q220-L222 VanDerWaalsContact O-N 3.08Å; L222-S224 PolarHBondContact O-N 3.17Å; L222-S224 VanDerWaalsContact O-N 3.13Å; L222-K228 HydrophobicContact CB-CG 3.85Å; L222-K228 WeakPolarHBondContact O-CE 3.24Å; L222-F231 HydrophobicContact CD1-CD1 3.82Å; L222-F231 HydrophobicContact CD1-CE1 4.26Å; L222-F231 HydrophobicContact CD2-CB 3.64Å; L222-F231 HydrophobicContact CD2-CD1 3.75Å; L222-F231 HydrophobicContact CD2-CG 3.91Å; L222-F231 HydrophobicContact CG-CD1 4.41Å; L222-W259 HydrophobicContact CD1-CB 3.71Å; L222-W259 HydrophobicContact CD1-CD2 4.3Å; L222-W259 HydrophobicContact CD1-CE3 4.04Å; L222-W259 HydrophobicContact CD1-CG 4.23Å; L222-W259 HydrophobicContact CG-CE3 4.2Å; L222-L263 HydrophobicContact CD1-CD1 4.11Å
223	V	96.7	Very high	96.5	Very high	111 Å²	111	60.8 Å²	60.8	67%	0.673	30%	0.304	S	S	*	.			trans	-60.5	-21.4	-174.8	-69.5	0	0	0	0	114.9	Q220 D221	Q220-V223 HydrophobicContact CB-CG2 4.23Å; Q220-V223 VanDerWaalsContact O-CG1 3.32Å; Q220-V223 WeakPolarHBondContact O-CG1 3.3Å; Q220-V223 WeakPolarHBondContact O-CG2 3.17Å; Q220-V223 PolarHBondContact O-N 2.9Å; D221-V223 PolarHBondContact O-N 3.33Å; D221-V223 VanDerWaalsContact O-N 3.14Å
224	S	97.6	Very high	96.7	Very high	42 Å²	42	61.3 Å²	61.3	29%	0.294	30%	0.3	S	S	.	.	S	Bend	trans	-129.4	160.5	175.7	69.9	0	0	0	0	111	L222 E226 W227 K228	L222-S224 PolarHBondContact O-N 3.17Å; L222-S224 VanDerWaalsContact O-N 3.13Å; S224-E226 VanDerWaalsContact C-N 3.27Å; S224-E226 PolarHBondContact O-N 3.45Å; S224-W227 PolarHBondContact O-N 3.39Å; S224-W227 VanDerWaalsContact O-N 3.11Å; S224-W227 PolarHBondContact OG-N 2.9Å; S224-K228 PolarHBondContact O-N 3.03Å; S224-K228 VanDerWaalsContact O-N 3.07Å
225	D	97.4	Very high	96.8	Very high	105 Å²	105	61 Å²	61	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-63.4	-33.9	177.3	-60.7	-37.1	0	0	0	111.8	W227 K228 D229	D225-W227 VanDerWaalsContact C-N 3.3Å; D225-W227 PolarHBondContact O-N 2.94Å; D225-K228 WeakPolarHBondContact O-CB 3.28Å; D225-K228 PolarHBondContact O-N 2.68Å; D225-K228 VanDerWaalsContact O-N 3.13Å; D225-K228 WeakPolarHBondContact OD1-CD 3.43Å; D225-K228 WeakPolarHBondContact OD1-CE 3.31Å; D225-K228 IonicContact OD1-NZ 3.19Å; D225-K228 PolarHBondContact OD1-NZ 2.87Å; D225-D229 WeakPolarHBondContact O-CB 3.46Å; D225-D229 VanDerWaalsContact O-CG 3.26Å; D225-D229 PolarHBondContact O-N 2.92Å
226	E	97.9	Very high	96.9	Very high	105 Å²	105	65.5 Å²	65.5	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-55.3	-42.6	170.9	-175.5	-171	-178.2	0	0	112.6	S224 R230	S224-E226 VanDerWaalsContact C-N 3.27Å; S224-E226 PolarHBondContact O-N 3.45Å; E226-R230 WeakPolarHBondContact O-CB 3.23Å; E226-R230 VanDerWaalsContact O-CG 3.25Å; E226-R230 WeakPolarHBondContact O-CG 3.18Å; E226-R230 PolarHBondContact O-N 2.68Å; E226-R230 IonicContact OE1-CZ 2.67Å; E226-R230 IonicContact OE1-NE 2.73Å; E226-R230 IonicContact OE1-NH1 2.87Å; E226-R230 IonicContact OE1-NH2 3.02Å; E226-R230 PolarHBondContact OE1-NH2 3.07Å
227	W	97.9	Very high	97	Very high	43 Å²	43	65.8 Å²	65.8	16%	0.163	32%	0.324	C	S	.	.	H	α-helix	trans	-74.4	-32.8	178.1	-74.9	120.5	0	0	0	112.9	A218 F219 Q220 S224 D225 F231	A218-W227 VanDerWaalsContact O-CZ3 3.31Å; A218-W227 WeakPolarHBondContact O-CZ3 3.48Å; F219-W227 HydrophobicContact CB-CE3 4.47Å; F219-W227 HydrophobicContact CD1-CE3 4.48Å; F219-W227 WeakPolarHBondContact O-CB 3.05Å; Q220-W227 HydrophobicContact CB-CD2 4.19Å; Q220-W227 HydrophobicContact CB-CG 4.17Å; Q220-W227 VanDerWaalsContact CD-CE2 3.4Å; Q220-W227 VanDerWaalsContact CD-CZ2 3.42Å; Q220-W227 HydrophobicContact CG-CD2 4.15Å; Q220-W227 HydrophobicContact CG-CH2 4.33Å; Q220-W227 HydrophobicContact CG-CZ2 3.73Å; Q220-W227 VanDerWaalsContact NE2-CZ2 3.31Å; S224-W227 PolarHBondContact O-N 3.39Å; S224-W227 VanDerWaalsContact O-N 3.11Å; S224-W227 PolarHBondContact OG-N 2.9Å; D225-W227 VanDerWaalsContact C-N 3.3Å; D225-W227 PolarHBondContact O-N 2.94Å; W227-F231 WeakPolarHBondContact O-CB 3.19Å; W227-F231 PolarHBondContact O-N 2.8Å; W227-F231 VanDerWaalsContact O-N 3.09Å
228	K	98.2	Very high	97.2	Very high	77 Å²	77	61 Å²	61	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-47.6	169.8	-65.5	169.2	-154.7	162	0	110.8	L222 S224 D225 F231 L232	L222-K228 HydrophobicContact CB-CG 3.85Å; L222-K228 WeakPolarHBondContact O-CE 3.24Å; S224-K228 PolarHBondContact O-N 3.03Å; S224-K228 VanDerWaalsContact O-N 3.07Å; D225-K228 WeakPolarHBondContact O-CB 3.28Å; D225-K228 PolarHBondContact O-N 2.68Å; D225-K228 VanDerWaalsContact O-N 3.13Å; D225-K228 WeakPolarHBondContact OD1-CD 3.43Å; D225-K228 WeakPolarHBondContact OD1-CE 3.31Å; D225-K228 IonicContact OD1-NZ 3.19Å; D225-K228 PolarHBondContact OD1-NZ 2.87Å; K228-F231 PolarHBondContact O-N 2.87Å; K228-L232 WeakPolarHBondContact O-CB 3.49Å; K228-L232 PolarHBondContact O-N 2.86Å
229	D	98.2	Very high	97.3	Very high	101 Å²	101	63.3 Å²	63.3	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-43.8	-178.7	-70.4	-18.1	0	0	0	111.5	D225 F231 L232 Q233	D225-D229 WeakPolarHBondContact O-CB 3.46Å; D225-D229 VanDerWaalsContact O-CG 3.26Å; D225-D229 PolarHBondContact O-N 2.92Å; D229-F231 VanDerWaalsContact C-N 3.3Å; D229-F231 PolarHBondContact O-N 2.81Å; D229-L232 PolarHBondContact O-N 3.47Å; D229-Q233 VanDerWaalsContact O-CB 3.31Å; D229-Q233 WeakPolarHBondContact O-CB 3.46Å; D229-Q233 PolarHBondContact O-N 2.79Å
230	R	97.4	Very high	97.3	Very high	106 Å²	106	63.8 Å²	63.8	40%	0.4	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-40.3	172.8	-75.1	172.4	177.9	-169.6	0.8	112.5	F219 E226 R234	F219-R230 HydrophobicContact CD1-CB 4.22Å; F219-R230 HydrophobicContact CE1-CB 4.33Å; E226-R230 WeakPolarHBondContact O-CB 3.23Å; E226-R230 VanDerWaalsContact O-CG 3.25Å; E226-R230 WeakPolarHBondContact O-CG 3.18Å; E226-R230 PolarHBondContact O-N 2.68Å; E226-R230 IonicContact OE1-CZ 2.67Å; E226-R230 IonicContact OE1-NE 2.73Å; E226-R230 IonicContact OE1-NH1 2.87Å; E226-R230 IonicContact OE1-NH2 3.02Å; E226-R230 PolarHBondContact OE1-NH2 3.07Å; R230-R234 WeakPolarHBondContact O-CB 3.34Å; R230-R234 PolarHBondContact O-N 2.74Å; R230-R234 VanDerWaalsContact O-N 3.09Å
231	F	98.3	Very high	97.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-72.4	-41.3	178	-176.1	-130.3	0	0	0	111.9	L191 M210 V215 F219 L222 W227 K228 D229 R234 L235 A260 L263	L191-F231 HydrophobicContact CD1-CE2 3.81Å; M210-F231 HydrophobicContact SD-CE2 4.11Å; M210-F231 HydrophobicContact SD-CZ 3.74Å; V215-F231 HydrophobicContact CG2-CE1 4.29Å; V215-F231 HydrophobicContact CG2-CE2 4.28Å; V215-F231 HydrophobicContact CG2-CZ 3.85Å; F219-F231 HydrophobicContact CB-CB 4.19Å; F219-F231 HydrophobicContact CD1-CB 3.62Å; F219-F231 HydrophobicContact CD1-CD2 4.15Å; F219-F231 HydrophobicContact CD1-CG 4.3Å; F219-F231 HydrophobicContact CD2-CB 4.45Å; F219-F231 AromaticContact CD2-CD2 3.59Å; F219-F231 HydrophobicContact CD2-CD2 3.59Å; F219-F231 HydrophobicContact CD2-CE2 4.22Å; F219-F231 HydrophobicContact CD2-CG 4.28Å; F219-F231 HydrophobicContact CE1-CB 4.1Å; F219-F231 HydrophobicContact CE1-CD2 4.21Å; F219-F231 AromaticContact CE2-CD2 3.66Å; F219-F231 HydrophobicContact CE2-CD2 3.66Å; F219-F231 HydrophobicContact CE2-CE2 4.23Å; F219-F231 HydrophobicContact CG-CB 3.82Å; F219-F231 AromaticContact CG-CD2 3.86Å; F219-F231 HydrophobicContact CG-CD2 3.86Å; F219-F231 HydrophobicContact CG-CG 4.11Å; F219-F231 AromaticContact CZ-CD2 3.99Å; F219-F231 HydrophobicContact CZ-CD2 3.99Å; L222-F231 HydrophobicContact CD1-CD1 3.82Å; L222-F231 HydrophobicContact CD1-CE1 4.26Å; L222-F231 HydrophobicContact CD2-CB 3.64Å; L222-F231 HydrophobicContact CD2-CD1 3.75Å; L222-F231 HydrophobicContact CD2-CG 3.91Å; L222-F231 HydrophobicContact CG-CD1 4.41Å; W227-F231 WeakPolarHBondContact O-CB 3.19Å; W227-F231 PolarHBondContact O-N 2.8Å; W227-F231 VanDerWaalsContact O-N 3.09Å; K228-F231 PolarHBondContact O-N 2.87Å; D229-F231 VanDerWaalsContact C-N 3.3Å; D229-F231 PolarHBondContact O-N 2.81Å; F231-R234 WeakPolarHBondContact O-CB 3.37Å; F231-R234 PolarHBondContact O-N 3.48Å; F231-L235 HydrophobicContact CD1-CD1 4.17Å; F231-L235 HydrophobicContact CE1-CD1 3.87Å; F231-L235 HydrophobicContact CE2-CD1 4.32Å; F231-L235 HydrophobicContact CE2-CD2 4.36Å; F231-L235 HydrophobicContact CE2-CG 4.26Å; F231-L235 HydrophobicContact CZ-CD1 3.94Å; F231-L235 HydrophobicContact CZ-CD2 4.35Å; F231-L235 HydrophobicContact CZ-CG 4.32Å; F231-L235 WeakPolarHBondContact O-CG 3.36Å; F231-L235 PolarHBondContact O-N 3.31Å; F231-A260 HydrophobicContact CE1-CB 3.75Å; F231-A260 HydrophobicContact CZ-CB 3.74Å; F231-L263 HydrophobicContact CD1-CD1 3.62Å; F231-L263 HydrophobicContact CE1-CD1 4.1Å
232	L	98.4	Very high	97.5	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-46.1	174.4	176.2	60.1	0	0	0	111.2	K228 D229 R234 L235 Q236 H267 V269	K228-L232 WeakPolarHBondContact O-CB 3.49Å; K228-L232 PolarHBondContact O-N 2.86Å; D229-L232 PolarHBondContact O-N 3.47Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 3.05Å; L232-L235 CarbonylContact O-C 3.54Å; L232-L235 WeakPolarHBondContact O-CB 3.48Å; L232-L235 PolarHBondContact O-N 3.39Å; L232-Q236 HydrophobicContact CD1-CG 4.12Å; L232-Q236 HydrophobicContact CG-CG 4.39Å; L232-Q236 WeakPolarHBondContact O-CG 3.27Å; L232-Q236 PolarHBondContact O-N 3.47Å; L232-H267 HydrophobicContact CD1-CB 3.71Å; L232-H267 HydrophobicContact CD2-CB 4.31Å; L232-V269 HydrophobicContact CD1-CG2 3.74Å
233	Q	97.8	Very high	97.6	Very high	116 Å²	116	56.9 Å²	56.9	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-42.2	174.1	-170.7	-174.7	35.3	0	0	111.2	D229 L235 Q236 N237	D229-Q233 VanDerWaalsContact O-CB 3.31Å; D229-Q233 WeakPolarHBondContact O-CB 3.46Å; D229-Q233 PolarHBondContact O-N 2.79Å; Q233-L235 VanDerWaalsContact C-N 3.28Å; Q233-L235 PolarHBondContact O-N 3.38Å; Q233-Q236 PolarHBondContact O-N 3.16Å; Q233-N237 WeakPolarHBondContact O-CB 3.19Å; Q233-N237 VanDerWaalsContact O-CG 3.23Å; Q233-N237 PolarHBondContact O-N 2.57Å; Q233-N237 PolarHBondContact O-OD1 3.37Å
234	R	97.4	Very high	97.7	Very high	45 Å²	45	51.8 Å²	51.8	17%	0.17	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-34	174.9	-176.5	55.4	51.8	88.5	-0.9	112.7	L191 E196 F219 R230 F231 L232	L191-R234 HydrophobicContact CB-CG 4.26Å; L191-R234 PolarHBondContact O-NH1 3.47Å; E196-R234 IonicContact OE1-NH2 3.86Å; F219-R234 HydrophobicContact CE1-CB 4.27Å; F219-R234 HydrophobicContact CZ-CB 3.95Å; F219-R234 HydrophobicContact CZ-CG 3.96Å; R230-R234 WeakPolarHBondContact O-CB 3.34Å; R230-R234 PolarHBondContact O-N 2.74Å; R230-R234 VanDerWaalsContact O-N 3.09Å; F231-R234 WeakPolarHBondContact O-CB 3.37Å; F231-R234 PolarHBondContact O-N 3.48Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 3.05Å
235	L	98.1	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-76.1	-40.8	175.6	-66.5	169.2	0	0	0	112	L191 F231 L232 Q233 N237 L238 L243 L263 I264 V269	L191-L235 HydrophobicContact CD1-CD2 4.16Å; F231-L235 HydrophobicContact CD1-CD1 4.17Å; F231-L235 HydrophobicContact CE1-CD1 3.87Å; F231-L235 HydrophobicContact CE2-CD1 4.32Å; F231-L235 HydrophobicContact CE2-CD2 4.36Å; F231-L235 HydrophobicContact CE2-CG 4.26Å; F231-L235 HydrophobicContact CZ-CD1 3.94Å; F231-L235 HydrophobicContact CZ-CD2 4.35Å; F231-L235 HydrophobicContact CZ-CG 4.32Å; F231-L235 WeakPolarHBondContact O-CG 3.36Å; F231-L235 PolarHBondContact O-N 3.31Å; L232-L235 CarbonylContact O-C 3.54Å; L232-L235 WeakPolarHBondContact O-CB 3.48Å; L232-L235 PolarHBondContact O-N 3.39Å; Q233-L235 VanDerWaalsContact C-N 3.28Å; Q233-L235 PolarHBondContact O-N 3.38Å; L235-N237 PolarHBondContact O-N 3.01Å; L235-L238 HydrophobicContact CD2-CD1 4.38Å; L235-L238 VanDerWaalsContact O-CB 3.27Å; L235-L238 WeakPolarHBondContact O-CB 3.4Å; L235-L238 WeakPolarHBondContact O-CG 3.46Å; L235-L238 PolarHBondContact O-N 3.32Å; L235-L243 HydrophobicContact CD2-CD2 3.7Å; L235-L263 HydrophobicContact CD1-CB 4.47Å; L235-I264 HydrophobicContact CD1-CG1 4.27Å; L235-V269 HydrophobicContact CB-CG1 4.09Å; L235-V269 WeakPolarHBondContact O-CG1 3.01Å
236	Q	97.6	Very high	97.7	Very high	95 Å²	95	45.3 Å²	45.3	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-38.2	178.2	-74.4	172.4	-28.5	0	0	112.5	L232 Q233 L238 S239 V269	L232-Q236 HydrophobicContact CD1-CG 4.12Å; L232-Q236 HydrophobicContact CG-CG 4.39Å; L232-Q236 WeakPolarHBondContact O-CG 3.27Å; L232-Q236 PolarHBondContact O-N 3.47Å; Q233-Q236 PolarHBondContact O-N 3.16Å; Q236-L238 PolarHBondContact O-N 3.4Å; Q236-S239 PolarHBondContact O-N 3.32Å; Q236-V269 HydrophobicContact CG-CG1 4.35Å; Q236-V269 HydrophobicContact CG-CG2 4.22Å
237	N	96.5	Very high	97.6	Very high	101 Å²	101	40.6 Å²	40.6	54%	0.54	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-3	176.5	-70.8	3.3	0	0	0	114.2	Q233 L235	Q233-N237 WeakPolarHBondContact O-CB 3.19Å; Q233-N237 VanDerWaalsContact O-CG 3.23Å; Q233-N237 PolarHBondContact O-N 2.57Å; Q233-N237 PolarHBondContact O-OD1 3.37Å; L235-N237 PolarHBondContact O-N 3.01Å
238	L	97.1	Very high	97.6	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.073	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.8	178.7	-60.3	-178.6	0	0	0	114.1	L191 V208 L235 Q236 G240 S241 L243 V271	L191-L238 HydrophobicContact CD2-CD1 3.83Å; L191-L238 HydrophobicContact CD2-CD2 4.27Å; V208-L238 HydrophobicContact CG1-CD1 3.81Å; V208-L238 HydrophobicContact CG1-CD2 3.7Å; V208-L238 HydrophobicContact CG1-CG 4.39Å; L235-L238 HydrophobicContact CD2-CD1 4.38Å; L235-L238 VanDerWaalsContact O-CB 3.27Å; L235-L238 WeakPolarHBondContact O-CB 3.4Å; L235-L238 WeakPolarHBondContact O-CG 3.46Å; L235-L238 PolarHBondContact O-N 3.32Å; Q236-L238 PolarHBondContact O-N 3.4Å; L238-G240 PolarHBondContact O-N 2.98Å; L238-S241 WeakPolarHBondContact O-CB 3.28Å; L238-S241 PolarHBondContact O-N 3.46Å; L238-S241 PolarHBondContact O-OG 3.41Å; L238-L243 HydrophobicContact CD1-CD1 4.01Å; L238-V271 HydrophobicContact CB-CG1 3.65Å; L238-V271 HydrophobicContact CD1-CG1 3.86Å; L238-V271 HydrophobicContact CG-CG1 4.36Å
239	S	94.4	Very high	97.3	Very high	94 Å²	94	36.1 Å²	36.1	66%	0.657	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	31.9	77.4	169.5	-165.1	0	0	0	0	115	Q236 S241	Q236-S239 PolarHBondContact O-N 3.32Å; S239-S241 VanDerWaalsContact C-N 3.26Å; S239-S241 PolarHBondContact O-N 3.17Å
240	G	96.4	Very high	97	Very high	20 Å²	20	33.7 Å²	33.7	21%	0.206	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-2.5	176.2	0	0	0	0	0	115.4	L238 D270 R272	L238-G240 PolarHBondContact O-N 2.98Å; G240-D270 PolarHBondContact N-O 3.32Å; G240-D270 PolarHBondContact N-OD2 3.15Å; G240-R272 PolarHBondContact O-NE 2.99Å; G240-R272 PolarHBondContact O-NH2 2.82Å
241	S	98.1	Very high	96.8	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.049	19%	0.189	C	C	.	.			trans	-61.4	157.6	173.3	-67.1	0	0	0	0	112.8	T205 L238 S239 L243 R272	T205-S241 PolarHBondContact O-OG 3.3Å; T205-S241 VanDerWaalsContact O-OG 3.05Å; L238-S241 WeakPolarHBondContact O-CB 3.28Å; L238-S241 PolarHBondContact O-N 3.46Å; L238-S241 PolarHBondContact O-OG 3.41Å; S239-S241 VanDerWaalsContact C-N 3.26Å; S239-S241 PolarHBondContact O-N 3.17Å; S241-L243 PolarHBondContact O-N 3.38Å; S241-R272 PolarHBondContact O-N 2.95Å
242	V	98.6	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.9	168.9	-178.5	0	0	0	0	109.9	P153 M154 N206 L207 V208 R272 A274	P153-V242 HydrophobicContact CB-CG1 4.34Å; P153-V242 HydrophobicContact CB-CG2 3.96Å; M154-V242 HydrophobicContact CE-CG2 4.27Å; N206-V242 PolarHBondContact O-N 3.3Å; L207-V242 CarbonylContact C-O 3.6Å; L207-V242 WeakPolarHBondContact CA-O 3.27Å; L207-V242 HydrophobicContact CB-CB 4.13Å; L207-V242 HydrophobicContact CD1-CB 4.15Å; L207-V242 HydrophobicContact CD1-CG1 4.02Å; L207-V242 HydrophobicContact CG-CB 3.95Å; L207-V242 HydrophobicContact CG-CG1 4.1Å; V208-V242 PolarHBondContact N-O 2.85Å; V242-R272 CarbonylContact C-O 3.41Å; V242-R272 VanDerWaalsContact CA-O 3.23Å; V242-R272 WeakPolarHBondContact CA-O 3.35Å; V242-R272 HydrophobicContact CG2-CB 4.49Å; V242-A274 HydrophobicContact CG1-CB 3.83Å
243	L	98.7	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	104.8	171.1	-179.1	61.1	0	0	0	109.4	L191 V208 M210 L235 L238 S241 I245 I264 V271 R272 T273 A274	L191-L243 HydrophobicContact CD2-CD1 3.94Å; L191-L243 HydrophobicContact CG-CD1 4.48Å; V208-L243 HydrophobicContact CG1-CD1 4.03Å; M210-L243 HydrophobicContact CB-CD1 3.86Å; L235-L243 HydrophobicContact CD2-CD2 3.7Å; L238-L243 HydrophobicContact CD1-CD1 4.01Å; S241-L243 PolarHBondContact O-N 3.38Å; L243-I245 HydrophobicContact CD2-CD1 4.05Å; L243-I245 HydrophobicContact CD2-CG1 4.43Å; L243-I245 HydrophobicContact CG-CD1 4.12Å; L243-I245 HydrophobicContact CG-CG1 3.96Å; L243-I264 HydrophobicContact CD2-CD1 3.62Å; L243-V271 HydrophobicContact CB-CB 4.17Å; L243-V271 HydrophobicContact CB-CG1 4.38Å; L243-V271 HydrophobicContact CD2-CG2 4.36Å; L243-R272 PolarHBondContact N-O 3.39Å; L243-T273 WeakPolarHBondContact O-CA 3.39Å; L243-A274 PolarHBondContact O-N 2.84Å
244	W	98.6	Very high	96	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.3	-173.8	-172.9	88.8	0	0	0	111.3	I115 L207 V208 T209 M210 P246 A274 P276 L280 L303 M304 M307	I115-W244 PolarHBondContact O-NE1 3.08Å; L207-W244 HydrophobicContact CD2-CB 4.27Å; V208-W244 PolarHBondContact O-N 2.99Å; T209-W244 CarbonylContact C-O 3.51Å; T209-W244 VanDerWaalsContact CA-O 3.28Å; T209-W244 WeakPolarHBondContact CA-O 3.25Å; T209-W244 HydrophobicContact CG2-CD2 4.26Å; T209-W244 HydrophobicContact CG2-CE3 3.5Å; T209-W244 HydrophobicContact CG2-CZ3 4.04Å; M210-W244 PolarHBondContact N-O 3.34Å; W244-P246 HydrophobicContact CE3-CB 4.47Å; W244-P246 HydrophobicContact CE3-CG 4.28Å; W244-P246 HydrophobicContact CH2-CB 4.02Å; W244-P246 HydrophobicContact CH2-CG 4.47Å; W244-P246 HydrophobicContact CZ3-CB 3.78Å; W244-P246 HydrophobicContact CZ3-CG 3.75Å; W244-P246 WeakPolarHBondContact O-CD 3.25Å; W244-A274 CarbonylContact C-O 3.52Å; W244-A274 WeakPolarHBondContact CA-O 3.43Å; W244-A274 HydrophobicContact CB-CB 4.5Å; W244-A274 HydrophobicContact CG-CB 4.5Å; W244-P276 HydrophobicContact CH2-CB 4.28Å; W244-P276 HydrophobicContact CH2-CG 3.89Å; W244-P276 HydrophobicContact CZ2-CB 3.4Å; W244-P276 VanDerWaalsContact CZ2-CB 3.4Å; W244-P276 HydrophobicContact CZ2-CG 3.42Å; W244-P276 VanDerWaalsContact CZ2-CG 3.42Å; W244-L280 HydrophobicContact CZ2-CD2 3.73Å; W244-L303 HydrophobicContact CH2-CD2 3.57Å; W244-L303 HydrophobicContact CH2-CG 4.41Å; W244-L303 HydrophobicContact CZ2-CD2 4.23Å; W244-L303 HydrophobicContact CZ3-CD2 4.45Å; W244-M304 HydrophobicContact CD2-CE 4.1Å; W244-M304 HydrophobicContact CE3-CE 4.09Å; W244-M304 HydrophobicContact CH2-CE 3.99Å; W244-M304 HydrophobicContact CZ2-CE 3.96Å; W244-M304 HydrophobicContact CZ3-CE 4.06Å; W244-M307 HydrophobicContact CZ2-SD 4.37Å
245	I	98.6	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.215	C	C	.	.			trans	-113.4	102.8	-169.5	-51.1	179.3	0	0	0	110	M210 L243 A247 V257 L261 T273 A274 F275 P276	M210-I245 HydrophobicContact CB-CG1 4.49Å; M210-I245 HydrophobicContact CE-CB 4.5Å; M210-I245 HydrophobicContact CE-CD1 3.81Å; M210-I245 HydrophobicContact CE-CG1 3.95Å; M210-I245 HydrophobicContact CE-CG2 3.81Å; L243-I245 HydrophobicContact CD2-CD1 4.05Å; L243-I245 HydrophobicContact CD2-CG1 4.43Å; L243-I245 HydrophobicContact CG-CD1 4.12Å; L243-I245 HydrophobicContact CG-CG1 3.96Å; I245-A247 HydrophobicContact CG2-CB 4.32Å; I245-A247 PolarHBondContact O-N 3.46Å; I245-V257 HydrophobicContact CG2-CG1 4.39Å; I245-V257 HydrophobicContact CG2-CG2 4.02Å; I245-L261 HydrophobicContact CD1-CD2 3.94Å; I245-T273 HydrophobicContact CD1-CG2 4.41Å; I245-A274 PolarHBondContact N-O 3.15Å; I245-F275 HydrophobicContact CB-CD1 4.02Å; I245-F275 HydrophobicContact CB-CE1 3.94Å; I245-F275 HydrophobicContact CD1-CE1 4.1Å; I245-F275 HydrophobicContact CD1-CZ 4.35Å; I245-F275 HydrophobicContact CG1-CE1 4.49Å; I245-F275 HydrophobicContact CG2-CD1 4.47Å; I245-F275 HydrophobicContact CG2-CE1 4.28Å; I245-P276 VanDerWaalsContact O-CD 3.27Å; I245-P276 WeakPolarHBondContact O-CD 3.23Å
246	P	97.3	Very high	95.9	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.065	22%	0.223	C	C	.	.			trans	-74.9	59.6	176.5	32.4	-36.7	0	0	0	112.8	M210 W244 F248 M249 P276	M210-P246 WeakPolarHBondContact O-CD 3.23Å; W244-P246 HydrophobicContact CE3-CB 4.47Å; W244-P246 HydrophobicContact CE3-CG 4.28Å; W244-P246 HydrophobicContact CH2-CB 4.02Å; W244-P246 HydrophobicContact CH2-CG 4.47Å; W244-P246 HydrophobicContact CZ3-CB 3.78Å; W244-P246 HydrophobicContact CZ3-CG 3.75Å; W244-P246 WeakPolarHBondContact O-CD 3.25Å; P246-F248 VanDerWaalsContact C-N 3.28Å; P246-F248 PolarHBondContact O-N 3.05Å; P246-M249 HydrophobicContact CB-CB 4.47Å; P246-M249 HydrophobicContact CB-CG 3.61Å; P246-M249 PolarHBondContact O-N 3.5Å; P246-P276 HydrophobicContact CB-CG 4.07Å
247	A	96.9	Very high	96	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34	-172	0	0	0	0	0	114.4	L144 I245 V257 F275	L144-A247 HydrophobicContact CD1-CB 4.22Å; I245-A247 HydrophobicContact CG2-CB 4.32Å; I245-A247 PolarHBondContact O-N 3.46Å; A247-V257 HydrophobicContact CB-CG1 4.06Å; A247-V257 HydrophobicContact CB-CG2 3.96Å; A247-F275 HydrophobicContact CB-CD1 4.18Å
248	F	96	Very high	96	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.053	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	13.5	-173.1	-46.9	-61.6	0	0	0	114.2	I117 I128 Y130 V131 T138 I140 L144 P246 L278	I117-F248 HydrophobicContact CD1-CD2 4.19Å; I117-F248 HydrophobicContact CD1-CE2 3.95Å; I128-F248 HydrophobicContact CB-CD1 4.23Å; I128-F248 HydrophobicContact CB-CE1 4.48Å; I128-F248 HydrophobicContact CG1-CE1 4.4Å; I128-F248 HydrophobicContact CG2-CB 3.95Å; I128-F248 HydrophobicContact CG2-CD1 3.73Å; I128-F248 HydrophobicContact CG2-CD2 4.41Å; I128-F248 HydrophobicContact CG2-CE1 4.36Å; I128-F248 HydrophobicContact CG2-CG 3.76Å; Y130-F248 WeakPolarHBondContact CA-O 3.43Å; Y130-F248 WeakPolarHBondContact CD1-O 3.4Å; V131-F248 PolarHBondContact N-O 3.44Å; T138-F248 HydrophobicContact CG2-CD1 3.96Å; T138-F248 HydrophobicContact CG2-CE1 4.17Å; I140-F248 HydrophobicContact CD1-CE1 3.92Å; I140-F248 HydrophobicContact CD1-CE2 4.27Å; I140-F248 HydrophobicContact CD1-CZ 3.42Å; I140-F248 VanDerWaalsContact CD1-CZ 3.42Å; L144-F248 HydrophobicContact CD1-CE1 4.12Å; L144-F248 HydrophobicContact CD1-CE2 4.36Å; L144-F248 HydrophobicContact CD1-CZ 3.53Å; L144-F248 HydrophobicContact CD2-CZ 4.04Å; L144-F248 HydrophobicContact CG-CZ 4.48Å; P246-F248 VanDerWaalsContact C-N 3.28Å; P246-F248 PolarHBondContact O-N 3.05Å; F248-L278 HydrophobicContact CB-CD2 3.54Å; F248-L278 HydrophobicContact CD2-CD2 3.87Å; F248-L278 HydrophobicContact CG-CD2 3.98Å
249	M	92.8	Very high	96.1	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-75.2	-47.9	-178.3	-71	-65.6	168.7	0	0	112.7	V131 F132 P246 P276 L281	V131-M249 HydrophobicContact CB-SD 3.97Å; V131-M249 HydrophobicContact CG1-SD 4.1Å; V131-M249 HydrophobicContact CG2-SD 3.97Å; F132-M249 WeakPolarHBondContact CB-O 3.27Å; F132-M249 HydrophobicContact CD2-CB 4.25Å; F132-M249 WeakPolarHBondContact CD2-O 3.4Å; F132-M249 HydrophobicContact CE2-CB 3.89Å; F132-M249 WeakPolarHBondContact CG-O 3.28Å; F132-M249 PolarHBondContact N-O 2.64Å; P246-M249 HydrophobicContact CB-CB 4.47Å; P246-M249 HydrophobicContact CB-CG 3.61Å; P246-M249 PolarHBondContact O-N 3.5Å; M249-P276 HydrophobicContact CE-CB 4.42Å; M249-P276 HydrophobicContact CE-CG 3.99Å; M249-L281 HydrophobicContact CE-CB 4.23Å; M249-L281 HydrophobicContact SD-CB 4.24Å; M249-L281 HydrophobicContact SD-CD2 4.15Å
250	A	91.5	Very high	96.3	Very high	49 Å²	49	31 Å²	31	41%	0.405	17%	0.167	S	C	.	.	S	Bend	trans	-137.9	143.9	-176.9	0	0	0	0	0	111.1	Y130 F132	Y130-A250 WeakPolarHBondContact CD1-O 3.49Å; Y130-A250 VanDerWaalsContact CE1-O 3.3Å; Y130-A250 WeakPolarHBondContact CE1-O 3.35Å; F132-A250 HydrophobicContact CD2-CB 4.14Å
251	K	92.9	Very high	96.4	Very high	128 Å²	128	30 Å²	30	56%	0.557	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	153.2	168.3	-166.8	-173.3	-162.4	162	0	111.4	Y130 S136 E254	Y130-K251 HydrophobicContact CD2-CB 4.05Å; Y130-K251 HydrophobicContact CE2-CB 4.12Å; Y130-K251 HydrophobicContact CE2-CG 4.23Å; Y130-K251 HydrophobicContact CG-CB 4.43Å; S136-K251 WeakPolarHBondContact OG-CD 3.04Å; S136-K251 WeakPolarHBondContact OG-CE 3.1Å; S136-K251 PolarHBondContact OG-NZ 3.01Å; K251-E254 WeakPolarHBondContact CA-OE1 3.22Å; K251-E254 WeakPolarHBondContact CG-OE1 3.41Å
252	G	90.9	Very high	96.4	Very high	40 Å²	40	37 Å²	37	41%	0.412	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	8.8	178.9	0	0	0	0	0	113.9	E254 R256	G252-E254 WeakPolarHBondContact CA-OE2 3.43Å; G252-E254 VanDerWaalsContact N-CD 3.29Å; G252-E254 PolarHBondContact N-OE1 3.33Å; G252-E254 PolarHBondContact N-OE2 2.89Å; G252-R256 PolarHBondContact O-NH1 2.88Å
253	G	92.9	Very high	96.4	Very high	6 Å²	6	38.1 Å²	38.1	6%	0.062	19%	0.188	C	C	.	.			trans	-106	-4.7	174.7	0	0	0	0	0	114.4	R256 V257	G253-R256 PolarHBondContact O-N 2.9Å; G253-V257 WeakPolarHBondContact O-CG2 3.27Å; G253-V257 PolarHBondContact O-N 2.97Å
254	E	95	Very high	96.4	Very high	59 Å²	59	38.4 Å²	38.4	28%	0.276	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-55.3	-167.1	-56.4	84.9	175.5	0	0	111.7	Y130 K251 G252 R256 V257 E258	Y130-E254 VanDerWaalsContact OH-CD 3.27Å; Y130-E254 WeakPolarHBondContact OH-CG 3.38Å; Y130-E254 PolarHBondContact OH-OE1 3.37Å; K251-E254 WeakPolarHBondContact CA-OE1 3.22Å; K251-E254 WeakPolarHBondContact CG-OE1 3.41Å; G252-E254 WeakPolarHBondContact CA-OE2 3.43Å; G252-E254 VanDerWaalsContact N-CD 3.29Å; G252-E254 PolarHBondContact N-OE1 3.33Å; G252-E254 PolarHBondContact N-OE2 2.89Å; E254-R256 VanDerWaalsContact C-N 3.32Å; E254-R256 PolarHBondContact O-N 3.32Å; E254-V257 WeakPolarHBondContact O-CB 3.28Å; E254-V257 PolarHBondContact O-N 3.35Å; E254-E258 PolarHBondContact O-N 3.01Å
255	E	96.3	Very high	96.4	Very high	123 Å²	123	41 Å²	41	58%	0.575	20%	0.204	S	C	*	.	H	α-helix	trans	-64.3	-38.7	-177	-159.8	-178.5	-168.6	0	0	111.8	V257 E258 W259	E255-V257 VanDerWaalsContact C-N 3.34Å; E255-V257 PolarHBondContact O-N 2.97Å; E255-E258 PolarHBondContact O-N 3.49Å; E255-W259 HydrophobicContact CB-CZ2 4.47Å; E255-W259 HydrophobicContact CG-CD2 4.34Å; E255-W259 HydrophobicContact CG-CH2 4.25Å; E255-W259 HydrophobicContact CG-CZ2 3.54Å; E255-W259 VanDerWaalsContact O-CG 3.24Å; E255-W259 PolarHBondContact O-N 2.87Å; E255-W259 WeakPolarHBondContact OE1-CZ2 3.38Å
256	R	97.8	Very high	96.4	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-34.8	176.5	-65.4	166	178	121.8	3.1	112.6	P212 V215 Q216 D221 G252 G253 E254 W259 A260	P212-R256 HydrophobicContact CB-CB 4.2Å; P212-R256 WeakPolarHBondContact O-CD 3.4Å; V215-R256 HydrophobicContact CB-CB 4.01Å; V215-R256 HydrophobicContact CB-CG 4.1Å; V215-R256 HydrophobicContact CG1-CB 4.41Å; V215-R256 HydrophobicContact CG1-CG 4.34Å; V215-R256 HydrophobicContact CG2-CB 4.12Å; Q216-R256 VanDerWaalsContact CD-NH2 3.33Å; D221-R256 IonicContact OD1-CZ 2.71Å; D221-R256 IonicContact OD1-NE 2.67Å; D221-R256 PolarHBondContact OD1-NE 3.32Å; D221-R256 IonicContact OD1-NH2 2.69Å; D221-R256 PolarHBondContact OD1-NH2 2.9Å; D221-R256 IonicContact OD2-CZ 3.33Å; D221-R256 IonicContact OD2-NE 3.18Å; D221-R256 IonicContact OD2-NH2 2.79Å; D221-R256 PolarHBondContact OD2-NH2 3.17Å; G252-R256 PolarHBondContact O-NH1 2.88Å; G253-R256 PolarHBondContact O-N 2.9Å; E254-R256 VanDerWaalsContact C-N 3.32Å; E254-R256 PolarHBondContact O-N 3.32Å; R256-W259 HydrophobicContact CG-CE3 4.15Å; R256-W259 HydrophobicContact CG-CZ3 3.91Å; R256-A260 PolarHBondContact O-N 3.35Å
257	V	98.1	Very high	96.5	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-53.1	169.2	171.4	0	0	0	0	108.8	L144 P212 I245 A247 G253 E254 E255 W259 A260 L261	L144-V257 HydrophobicContact CD1-CG1 4.49Å; P212-V257 HydrophobicContact CB-CG2 4.18Å; P212-V257 HydrophobicContact CG-CG2 3.64Å; I245-V257 HydrophobicContact CG2-CG1 4.39Å; I245-V257 HydrophobicContact CG2-CG2 4.02Å; A247-V257 HydrophobicContact CB-CG1 4.06Å; A247-V257 HydrophobicContact CB-CG2 3.96Å; G253-V257 WeakPolarHBondContact O-CG2 3.27Å; G253-V257 PolarHBondContact O-N 2.97Å; E254-V257 WeakPolarHBondContact O-CB 3.28Å; E254-V257 PolarHBondContact O-N 3.35Å; E255-V257 VanDerWaalsContact C-N 3.34Å; E255-V257 PolarHBondContact O-N 2.97Å; V257-W259 VanDerWaalsContact C-N 3.31Å; V257-W259 PolarHBondContact O-N 3.22Å; V257-A260 WeakPolarHBondContact O-CB 3.01Å; V257-A260 PolarHBondContact O-N 3.23Å; V257-L261 HydrophobicContact CG1-CD1 3.61Å; V257-L261 HydrophobicContact CG1-CG 3.92Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.13Å; V257-L261 PolarHBondContact O-N 3.41Å
258	E	98.2	Very high	96.5	Very high	51 Å²	51	54.9 Å²	54.9	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-39.7	-179.2	-76.9	-55.5	122	0	0	113.9	S141 N143 E254 E255 L261 R262	S141-E258 WeakPolarHBondContact CB-OE1 3.46Å; S141-E258 VanDerWaalsContact OG-CD 3.31Å; S141-E258 PolarHBondContact OG-OE1 2.67Å; S141-E258 PolarHBondContact OG-OE2 3.02Å; N143-E258 PolarHBondContact ND2-OE2 3.13Å; E254-E258 PolarHBondContact O-N 3.01Å; E255-E258 PolarHBondContact O-N 3.49Å; E258-L261 PolarHBondContact O-N 3.4Å; E258-R262 WeakPolarHBondContact O-CB 3.4Å; E258-R262 PolarHBondContact O-N 2.94Å
259	W	98.4	Very high	96.6	Very high	70 Å²	70	55 Å²	55	27%	0.265	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-44.7	174.3	-62.2	-26.7	0	0	0	112.3	V215 D221 L222 E255 R256 V257 R262 L263	V215-W259 HydrophobicContact CG1-CE3 4.05Å; V215-W259 HydrophobicContact CG1-CZ3 4.42Å; D221-W259 HydrophobicContact CB-CH2 4.05Å; D221-W259 HydrophobicContact CB-CZ3 3.79Å; D221-W259 WeakPolarHBondContact O-CH2 3.42Å; D221-W259 VanDerWaalsContact O-CZ3 3.23Å; D221-W259 WeakPolarHBondContact O-CZ3 3.25Å; L222-W259 HydrophobicContact CD1-CB 3.71Å; L222-W259 HydrophobicContact CD1-CD2 4.3Å; L222-W259 HydrophobicContact CD1-CE3 4.04Å; L222-W259 HydrophobicContact CD1-CG 4.23Å; L222-W259 HydrophobicContact CG-CE3 4.2Å; E255-W259 HydrophobicContact CB-CZ2 4.47Å; E255-W259 HydrophobicContact CG-CD2 4.34Å; E255-W259 HydrophobicContact CG-CH2 4.25Å; E255-W259 HydrophobicContact CG-CZ2 3.54Å; E255-W259 VanDerWaalsContact O-CG 3.24Å; E255-W259 PolarHBondContact O-N 2.87Å; E255-W259 WeakPolarHBondContact OE1-CZ2 3.38Å; R256-W259 HydrophobicContact CG-CE3 4.15Å; R256-W259 HydrophobicContact CG-CZ3 3.91Å; V257-W259 VanDerWaalsContact C-N 3.31Å; V257-W259 PolarHBondContact O-N 3.22Å; W259-R262 PolarHBondContact O-N 2.89Å; W259-L263 WeakPolarHBondContact O-CG 3.33Å; W259-L263 PolarHBondContact O-N 3.14Å
260	A	98.5	Very high	96.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-44.6	176.7	0	0	0	0	0	111.9	M210 F231 R256 V257 R262 L263 I264	M210-A260 HydrophobicContact CE-CB 3.62Å; M210-A260 HydrophobicContact SD-CB 4.06Å; F231-A260 HydrophobicContact CE1-CB 3.75Å; F231-A260 HydrophobicContact CZ-CB 3.74Å; R256-A260 PolarHBondContact O-N 3.35Å; V257-A260 WeakPolarHBondContact O-CB 3.01Å; V257-A260 PolarHBondContact O-N 3.23Å; A260-R262 PolarHBondContact O-N 3.1Å; A260-L263 PolarHBondContact O-N 2.78Å; A260-I264 WeakPolarHBondContact O-CD1 3.37Å; A260-I264 VanDerWaalsContact O-CG1 3.23Å; A260-I264 WeakPolarHBondContact O-CG1 3.34Å; A260-I264 PolarHBondContact O-N 2.73Å
261	L	98.7	Very high	97.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-41	177.4	-60.7	-177.9	0	0	0	111.9	N143 L144 L147 I245 V257 E258 I264 L265 F275	N143-L261 HydrophobicContact CB-CB 3.98Å; N143-L261 HydrophobicContact CB-CD1 4.4Å; L144-L261 HydrophobicContact CB-CD1 3.62Å; L144-L261 HydrophobicContact CD1-CD1 4.23Å; L144-L261 HydrophobicContact CG-CD1 4.08Å; L147-L261 HydrophobicContact CD1-CB 3.89Å; L147-L261 HydrophobicContact CD1-CD2 3.51Å; L147-L261 HydrophobicContact CD1-CG 4.23Å; I245-L261 HydrophobicContact CD1-CD2 3.94Å; V257-L261 HydrophobicContact CG1-CD1 3.61Å; V257-L261 HydrophobicContact CG1-CG 3.92Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.13Å; V257-L261 PolarHBondContact O-N 3.41Å; E258-L261 PolarHBondContact O-N 3.4Å; L261-I264 PolarHBondContact O-N 2.93Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; L261-L265 PolarHBondContact O-N 3.39Å; L261-F275 HydrophobicContact CD1-CE1 4.46Å; L261-F275 HydrophobicContact CD1-CZ 4.47Å; L261-F275 HydrophobicContact CD2-CE1 3.92Å; L261-F275 HydrophobicContact CD2-CZ 3.58Å
262	R	98.5	Very high	97.4	Very high	154 Å²	154	56.6 Å²	56.6	58%	0.581	28%	0.283	S	S	*	.	H	α-helix	trans	-61.9	-46.6	174.8	-179.8	-179.9	-70	-110.7	2.1	111.5	E258 W259 A260 L265 V266	E258-R262 WeakPolarHBondContact O-CB 3.4Å; E258-R262 PolarHBondContact O-N 2.94Å; W259-R262 PolarHBondContact O-N 2.89Å; A260-R262 PolarHBondContact O-N 3.1Å; R262-L265 PolarHBondContact O-N 3.4Å; R262-V266 HydrophobicContact CG-CG2 4.07Å; R262-V266 WeakPolarHBondContact O-CB 3.15Å; R262-V266 VanDerWaalsContact O-CG2 3.27Å; R262-V266 WeakPolarHBondContact O-CG2 3.35Å; R262-V266 PolarHBondContact O-N 3.17Å
263	L	98.5	Very high	97.8	Very high	23 Å²	23	55.2 Å²	55.2	12%	0.12	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-42.6	178.3	-74	170.1	0	0	0	111.9	L222 F231 L235 W259 A260 L265 H267	L222-L263 HydrophobicContact CD1-CD1 4.11Å; F231-L263 HydrophobicContact CD1-CD1 3.62Å; F231-L263 HydrophobicContact CE1-CD1 4.1Å; L235-L263 HydrophobicContact CD1-CB 4.47Å; W259-L263 WeakPolarHBondContact O-CG 3.33Å; W259-L263 PolarHBondContact O-N 3.14Å; A260-L263 PolarHBondContact O-N 2.78Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.49Å; L263-H267 WeakPolarHBondContact O-CB 3.43Å; L263-H267 PolarHBondContact O-CD2 3.08Å; L263-H267 PolarHBondContact O-N 3.13Å
264	I	98.7	Very high	98	Very high	6 Å²	6	55 Å²	55	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-45.8	175.4	-68.6	161.9	0	0	0	111.1	L147 L235 L243 A260 L261 T268 V269 V271 T273	L147-I264 HydrophobicContact CD1-CB 4.26Å; L147-I264 HydrophobicContact CD1-CG2 4.04Å; L147-I264 HydrophobicContact CD2-CG2 3.91Å; L235-I264 HydrophobicContact CD1-CG1 4.27Å; L243-I264 HydrophobicContact CD2-CD1 3.62Å; A260-I264 WeakPolarHBondContact O-CD1 3.37Å; A260-I264 VanDerWaalsContact O-CG1 3.23Å; A260-I264 WeakPolarHBondContact O-CG1 3.34Å; A260-I264 PolarHBondContact O-N 2.73Å; L261-I264 PolarHBondContact O-N 2.93Å; I264-T268 WeakPolarHBondContact O-CA 3.46Å; I264-T268 PolarHBondContact O-N 3.44Å; I264-T268 VanDerWaalsContact O-N 3.14Å; I264-V269 HydrophobicContact CB-CB 4.48Å; I264-V269 HydrophobicContact CG1-CB 4.39Å; I264-V269 HydrophobicContact CG2-CB 4.39Å; I264-V269 PolarHBondContact O-N 2.96Å; I264-V271 HydrophobicContact CD1-CG2 4.08Å; I264-V271 HydrophobicContact CG1-CG2 4.07Å; I264-V271 HydrophobicContact CG2-CG2 3.82Å; I264-T273 HydrophobicContact CD1-CG2 4.21Å
265	L	98.6	Very high	98.1	Very high	59 Å²	59	52.1 Å²	52.1	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-70.9	-44.3	-179.4	-72.3	166.7	0	0	0	113.1	N143 R146 L147 L261 R262 L263	N143-L265 HydrophobicContact CB-CD1 3.83Å; N143-L265 WeakPolarHBondContact OD1-CD1 3.2Å; R146-L265 HydrophobicContact CB-CD1 4.46Å; R146-L265 HydrophobicContact CB-CD2 4.29Å; L147-L265 HydrophobicContact CD1-CD1 4.2Å; L147-L265 HydrophobicContact CD1-CD2 4.39Å; L147-L265 HydrophobicContact CD1-CG 3.95Å; L147-L265 HydrophobicContact CD2-CD2 3.91Å; L147-L265 HydrophobicContact CD2-CG 4.32Å; L147-L265 HydrophobicContact CG-CD1 4.36Å; L147-L265 HydrophobicContact CG-CD2 3.98Å; L147-L265 HydrophobicContact CG-CG 4.09Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; L261-L265 PolarHBondContact O-N 3.39Å; R262-L265 PolarHBondContact O-N 3.4Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.49Å
266	V	98.4	Very high	98.2	Very high	99 Å²	99	46.5 Å²	46.5	60%	0.6	23%	0.225	S	C	*	.	H	α-helix	trans	-70.8	-40.4	-175.8	169.4	0	0	0	0	111.8	R262	R262-V266 HydrophobicContact CG-CG2 4.07Å; R262-V266 WeakPolarHBondContact O-CB 3.15Å; R262-V266 VanDerWaalsContact O-CG2 3.27Å; R262-V266 WeakPolarHBondContact O-CG2 3.35Å; R262-V266 PolarHBondContact O-N 3.17Å
267	H	98.4	Very high	98	Very high	83 Å²	83	45.4 Å²	45.4	38%	0.384	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	11.4	-179.2	-60.4	-85.1	0	0	0	113.2	L232 L263 V269	L232-H267 HydrophobicContact CD1-CB 3.71Å; L232-H267 HydrophobicContact CD2-CB 4.31Å; L263-H267 WeakPolarHBondContact O-CB 3.43Å; L263-H267 PolarHBondContact O-CD2 3.08Å; L263-H267 PolarHBondContact O-N 3.13Å; H267-V269 VanDerWaalsContact C-N 3.25Å; H267-V269 HydrophobicContact CB-CG2 4.08Å; H267-V269 PolarHBondContact O-N 2.94Å
268	T	98	Very high	97.8	Very high	125 Å²	125	48 Å²	48	77%	0.767	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	47.7	179.7	54.8	0	0	0	0	112.9	I264 D270	I264-T268 WeakPolarHBondContact O-CA 3.46Å; I264-T268 PolarHBondContact O-N 3.44Å; I264-T268 VanDerWaalsContact O-N 3.14Å; T268-D270 PolarHBondContact O-N 3.46Å
269	V	98.4	Very high	97.6	Very high	13 Å²	13	50.8 Å²	50.8	8%	0.079	25%	0.246	C	C	.	.			trans	-67.6	126.7	-172.9	-178.6	0	0	0	0	109.9	L232 L235 Q236 I264 H267 V271	L232-V269 HydrophobicContact CD1-CG2 3.74Å; L235-V269 HydrophobicContact CB-CG1 4.09Å; L235-V269 WeakPolarHBondContact O-CG1 3.01Å; Q236-V269 HydrophobicContact CG-CG1 4.35Å; Q236-V269 HydrophobicContact CG-CG2 4.22Å; I264-V269 HydrophobicContact CB-CB 4.48Å; I264-V269 HydrophobicContact CG1-CB 4.39Å; I264-V269 HydrophobicContact CG2-CB 4.39Å; I264-V269 PolarHBondContact O-N 2.96Å; H267-V269 VanDerWaalsContact C-N 3.25Å; H267-V269 HydrophobicContact CB-CG2 4.08Å; H267-V269 PolarHBondContact O-N 2.94Å; V269-V271 VanDerWaalsContact C-N 3.33Å; V269-V271 HydrophobicContact CB-CG2 4.47Å; V269-V271 HydrophobicContact CG1-CG1 4.17Å; V269-V271 HydrophobicContact CG1-CG2 4.19Å; V269-V271 PolarHBondContact O-N 2.81Å
270	D	97.8	Very high	97.4	Very high	98 Å²	98	47.5 Å²	47.5	52%	0.524	23%	0.234	S	C	.	.			trans	-71.3	85.5	177.1	179.1	26.8	0	0	0	111.4	G240 T268	G240-D270 PolarHBondContact N-O 3.32Å; G240-D270 PolarHBondContact N-OD2 3.15Å; T268-D270 PolarHBondContact O-N 3.46Å
271	V	97.9	Very high	97.1	Very high	17 Å²	17	48.1 Å²	48.1	10%	0.103	24%	0.237	C	C	.	.			trans	-140.4	145.2	172.4	-75.6	0	0	0	0	111.1	L238 L243 I264 V269	L238-V271 HydrophobicContact CB-CG1 3.65Å; L238-V271 HydrophobicContact CD1-CG1 3.86Å; L238-V271 HydrophobicContact CG-CG1 4.36Å; L243-V271 HydrophobicContact CB-CB 4.17Å; L243-V271 HydrophobicContact CB-CG1 4.38Å; L243-V271 HydrophobicContact CD2-CG2 4.36Å; I264-V271 HydrophobicContact CD1-CG2 4.08Å; I264-V271 HydrophobicContact CG1-CG2 4.07Å; I264-V271 HydrophobicContact CG2-CG2 3.82Å; V269-V271 VanDerWaalsContact C-N 3.33Å; V269-V271 HydrophobicContact CB-CG2 4.47Å; V269-V271 HydrophobicContact CG1-CG1 4.17Å; V269-V271 HydrophobicContact CG1-CG2 4.19Å; V269-V271 PolarHBondContact O-N 2.81Å
272	R	97.8	Very high	96.9	Very high	112 Å²	112	51.9 Å²	51.9	42%	0.423	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	100	171.1	-68.8	177.8	-66	128.8	2.7	109.5	G240 S241 V242 L243	G240-R272 PolarHBondContact O-NE 2.99Å; G240-R272 PolarHBondContact O-NH2 2.82Å; S241-R272 PolarHBondContact O-N 2.95Å; V242-R272 CarbonylContact C-O 3.41Å; V242-R272 VanDerWaalsContact CA-O 3.23Å; V242-R272 WeakPolarHBondContact CA-O 3.35Å; V242-R272 HydrophobicContact CG2-CB 4.49Å; L243-R272 PolarHBondContact N-O 3.39Å
273	T	98.2	Very high	96.7	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	141.5	-179.7	35.2	0	0	0	0	112.9	L147 L243 I245 I264 F275	L147-T273 HydrophobicContact CB-CG2 4.36Å; L147-T273 HydrophobicContact CD1-CG2 4.44Å; L147-T273 PolarHBondContact O-OG1 3.31Å; L243-T273 WeakPolarHBondContact O-CA 3.39Å; I245-T273 HydrophobicContact CD1-CG2 4.41Å; I264-T273 HydrophobicContact CD1-CG2 4.21Å; T273-F275 HydrophobicContact CG2-CZ 4.48Å
274	A	98.1	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	131.8	176	0	0	0	0	0	110.6	I115 S116 P153 V242 L243 W244 I245	I115-A274 HydrophobicContact CG1-CB 4.47Å; S116-A274 WeakPolarHBondContact OG-CA 3.5Å; P153-A274 HydrophobicContact CG-CB 4.27Å; V242-A274 HydrophobicContact CG1-CB 3.83Å; L243-A274 PolarHBondContact O-N 2.84Å; W244-A274 CarbonylContact C-O 3.52Å; W244-A274 WeakPolarHBondContact CA-O 3.43Å; W244-A274 HydrophobicContact CB-CB 4.5Å; W244-A274 HydrophobicContact CG-CB 4.5Å; I245-A274 PolarHBondContact N-O 3.15Å
275	F	97.9	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.			trans	-123.6	105.4	-177.2	-58.3	-91.7	0	0	0	109.3	S116 I117 L144 L147 L148 I245 A247 L261 T273	S116-F275 CarbonylContact C-O 3.37Å; S116-F275 WeakPolarHBondContact CA-O 3.22Å; S116-F275 PolarHBondContact OG-N 2.88Å; I117-F275 WeakPolarHBondContact CG1-O 3.37Å; I117-F275 PolarHBondContact N-O 2.84Å; L144-F275 HydrophobicContact CD1-CD1 4.01Å; L144-F275 HydrophobicContact CD1-CE1 3.88Å; L144-F275 HydrophobicContact CG-CD1 4.16Å; L144-F275 HydrophobicContact CG-CE1 3.84Å; L144-F275 HydrophobicContact CG-CE2 4.44Å; L144-F275 HydrophobicContact CG-CZ 3.99Å; L147-F275 HydrophobicContact CB-CE2 4.29Å; L147-F275 HydrophobicContact CB-CZ 4.36Å; L148-F275 HydrophobicContact CD2-CB 4.48Å; L148-F275 HydrophobicContact CD2-CD2 3.78Å; L148-F275 HydrophobicContact CD2-CE2 4.39Å; L148-F275 HydrophobicContact CD2-CG 4.38Å; I245-F275 HydrophobicContact CB-CD1 4.02Å; I245-F275 HydrophobicContact CB-CE1 3.94Å; I245-F275 HydrophobicContact CD1-CE1 4.1Å; I245-F275 HydrophobicContact CD1-CZ 4.35Å; I245-F275 HydrophobicContact CG1-CE1 4.49Å; I245-F275 HydrophobicContact CG2-CD1 4.47Å; I245-F275 HydrophobicContact CG2-CE1 4.28Å; A247-F275 HydrophobicContact CB-CD1 4.18Å; L261-F275 HydrophobicContact CD1-CE1 4.46Å; L261-F275 HydrophobicContact CD1-CZ 4.47Å; L261-F275 HydrophobicContact CD2-CE1 3.92Å; L261-F275 HydrophobicContact CD2-CZ 3.58Å; T273-F275 HydrophobicContact CG2-CZ 4.48Å
276	P	96.8	Very high	96.3	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.026	24%	0.24	C	C	.	.			trans	-58.2	146	-166.7	23.9	-34.6	0	0	0	113.9	I115 W244 I245 P246 M249 L278 L280	I115-P276 WeakPolarHBondContact O-CA 3.33Å; W244-P276 HydrophobicContact CH2-CB 4.28Å; W244-P276 HydrophobicContact CH2-CG 3.89Å; W244-P276 HydrophobicContact CZ2-CB 3.4Å; W244-P276 VanDerWaalsContact CZ2-CB 3.4Å; W244-P276 HydrophobicContact CZ2-CG 3.42Å; W244-P276 VanDerWaalsContact CZ2-CG 3.42Å; I245-P276 VanDerWaalsContact O-CD 3.27Å; I245-P276 WeakPolarHBondContact O-CD 3.23Å; P246-P276 HydrophobicContact CB-CG 4.07Å; M249-P276 HydrophobicContact CE-CB 4.42Å; M249-P276 HydrophobicContact CE-CG 3.99Å; P276-L278 PolarHBondContact O-N 2.86Å; P276-L280 HydrophobicContact CB-CD2 3.59Å
277	S	94.5	Very high	96.3	Very high	25 Å²	25	43 Å²	43	18%	0.175	21%	0.213	C	C	.	.			trans	-56.6	138	172.1	179	0	0	0	0	110.9	D114 R279 L280	D114-S277 PolarHBondContact O-N 2.94Å; S277-R279 PolarHBondContact O-N 3.16Å; S277-L280 VanDerWaalsContact O-CB 3.25Å; S277-L280 WeakPolarHBondContact O-CB 3.43Å; S277-L280 PolarHBondContact O-N 3.3Å
278	L	93.4	Very high	96.2	Very high	58 Å²	58	39.4 Å²	39.4	30%	0.304	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.6	-179.3	-53.7	178.4	0	0	0	112.8	I128 V131 F248 P276	I128-L278 HydrophobicContact CD1-CD1 4.41Å; I128-L278 HydrophobicContact CG2-CD1 3.89Å; I128-L278 HydrophobicContact CG2-CD2 3.87Å; V131-L278 HydrophobicContact CG2-CD2 4.42Å; F248-L278 HydrophobicContact CB-CD2 3.54Å; F248-L278 HydrophobicContact CD2-CD2 3.87Å; F248-L278 HydrophobicContact CG-CD2 3.98Å; P276-L278 PolarHBondContact O-N 2.86Å
279	R	93.2	Very high	96.1	Very high	110 Å²	110	37.1 Å²	37.1	42%	0.415	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-20.2	176.5	85.3	-175.2	-173	103	0.5	114.3	F108 D114 S277 L281 H282 A283	F108-R279 PolarHBondContact O-NH1 3.01Å; D114-R279 IonicContact OD1-CZ 2.72Å; D114-R279 IonicContact OD1-NE 3.63Å; D114-R279 PolarHBondContact OD1-NE 3.45Å; D114-R279 IonicContact OD1-NH2 3.35Å; D114-R279 PolarHBondContact OD1-NH2 2.69Å; D114-R279 IonicContact OD2-CZ 3.65Å; D114-R279 IonicContact OD2-NE 3.69Å; D114-R279 IonicContact OD2-NH2 3.82Å; D114-R279 PolarHBondContact OD2-NH2 3.21Å; S277-R279 PolarHBondContact O-N 3.16Å; R279-L281 VanDerWaalsContact C-N 3.31Å; R279-L281 PolarHBondContact O-N 2.97Å; R279-H282 WeakPolarHBondContact O-CB 3.38Å; R279-H282 PolarHBondContact O-N 3Å; R279-A283 PolarHBondContact O-N 3.04Å
280	L	94.4	Very high	96	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-53.9	-47.2	-167.1	169.7	64.5	0	0	0	112	L109 D114 W244 P276 S277 H282 A283 V284 L303 M307	L109-L280 HydrophobicContact CD2-CD1 4.38Å; D114-L280 HydrophobicContact CB-CB 4.29Å; D114-L280 HydrophobicContact CB-CD1 3.88Å; W244-L280 HydrophobicContact CZ2-CD2 3.73Å; P276-L280 HydrophobicContact CB-CD2 3.59Å; S277-L280 VanDerWaalsContact O-CB 3.25Å; S277-L280 WeakPolarHBondContact O-CB 3.43Å; S277-L280 PolarHBondContact O-N 3.3Å; L280-H282 PolarHBondContact O-N 3.03Å; L280-A283 PolarHBondContact O-N 3.1Å; L280-V284 HydrophobicContact CD1-CG2 4.07Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 3.44Å; L280-L303 HydrophobicContact CD1-CD1 4.27Å; L280-L303 HydrophobicContact CD2-CD1 4.1Å; L280-L303 HydrophobicContact CG-CD1 4.01Å; L280-M307 HydrophobicContact CD1-CG 4.07Å; L280-M307 HydrophobicContact CD1-SD 4.17Å; L280-M307 HydrophobicContact CD2-SD 3.76Å
281	L	93.7	Very high	95.9	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-37.1	-177.9	-167.2	76.7	0	0	0	112.3	V131 F132 M249 R279 R285 P298 L303	V131-L281 HydrophobicContact CG1-CB 4.38Å; V131-L281 HydrophobicContact CG1-CD2 4.11Å; F132-L281 HydrophobicContact CD1-CD2 4.31Å; F132-L281 HydrophobicContact CE1-CD2 3.14Å; F132-L281 HydrophobicContact CE2-CD2 4.44Å; F132-L281 HydrophobicContact CZ-CD2 3.2Å; M249-L281 HydrophobicContact CE-CB 4.23Å; M249-L281 HydrophobicContact SD-CB 4.24Å; M249-L281 HydrophobicContact SD-CD2 4.15Å; R279-L281 VanDerWaalsContact C-N 3.31Å; R279-L281 PolarHBondContact O-N 2.97Å; L281-R285 VanDerWaalsContact O-CB 3.29Å; L281-R285 WeakPolarHBondContact O-CB 3.25Å; L281-R285 PolarHBondContact O-N 3.17Å; L281-P298 HydrophobicContact CD1-CB 4.38Å; L281-P298 HydrophobicContact CD1-CG 4.18Å; L281-L303 HydrophobicContact CD1-CD2 4.21Å
282	H	93.2	Very high	95.8	Very high	78 Å²	78	45.1 Å²	45.1	36%	0.361	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-40.5	174.4	-69	-62.2	0	0	0	111.2	R134 R279 L280 G286	R134-H282 PolarHBondContact NH2-CE1 3.46Å; R134-H282 PolarHBondContact NH2-NE2 3.16Å; R279-H282 WeakPolarHBondContact O-CB 3.38Å; R279-H282 PolarHBondContact O-N 3Å; L280-H282 PolarHBondContact O-N 3.03Å; H282-G286 PolarHBondContact O-N 2.9Å
283	A	95.2	Very high	95.7	Very high	12 Å²	12	40.6 Å²	40.6	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-46.7	175.2	0	0	0	0	0	112.2	F108 L109 R279 L280 G286 Y287	F108-A283 HydrophobicContact CB-CB 4.31Å; F108-A283 WeakPolarHBondContact O-CB 3.26Å; L109-A283 HydrophobicContact CB-CB 4.11Å; R279-A283 PolarHBondContact O-N 3.04Å; L280-A283 PolarHBondContact O-N 3.1Å; A283-G286 PolarHBondContact O-N 3.21Å; A283-Y287 PolarHBondContact O-N 3.33Å
284	V	95.9	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-46.9	177	170.2	0	0	0	0	111.3	L109 L280 G286 Y287 W288 P298 L303 T306	L109-V284 HydrophobicContact CD2-CG2 3.4Å; L280-V284 HydrophobicContact CD1-CG2 4.07Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 3.44Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.32Å; V284-Y287 PolarHBondContact O-N 3.44Å; V284-W288 PolarHBondContact O-N 2.96Å; V284-W288 VanDerWaalsContact O-N 3.12Å; V284-P298 HydrophobicContact CG1-CB 4.39Å; V284-P298 HydrophobicContact CG1-CG 4.06Å; V284-L303 HydrophobicContact CB-CD1 4.24Å; V284-L303 HydrophobicContact CG1-CD1 4.28Å; V284-L303 HydrophobicContact CG2-CD1 3.69Å; V284-T306 HydrophobicContact CG1-CG2 4.19Å; V284-T306 HydrophobicContact CG2-CG2 4.07Å
285	R	95.3	Very high	95.1	Very high	114 Å²	114	46.3 Å²	46.3	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-40.1	175.4	-177.6	177.9	170.8	-136.9	-10.6	111.6	L281 W288 L289 I295	L281-R285 VanDerWaalsContact O-CB 3.29Å; L281-R285 WeakPolarHBondContact O-CB 3.25Å; L281-R285 PolarHBondContact O-N 3.17Å; R285-W288 PolarHBondContact O-N 3.13Å; R285-L289 VanDerWaalsContact O-CB 3.28Å; R285-L289 WeakPolarHBondContact O-CB 3.36Å; R285-L289 PolarHBondContact O-N 2.86Å; R285-I295 PolarHBondContact NE-O 3.42Å
286	G	96.4	Very high	94.6	Very high	21 Å²	21	52 Å²	52	22%	0.216	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-49.5	175.6	0	0	0	0	0	112.3	H282 A283 V284 W288 L289 T290	H282-G286 PolarHBondContact O-N 2.9Å; A283-G286 PolarHBondContact O-N 3.21Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.32Å; G286-W288 PolarHBondContact O-N 2.8Å; G286-L289 PolarHBondContact O-N 2.77Å; G286-T290 PolarHBondContact O-N 2.88Å; G286-T290 PolarHBondContact O-OG1 3.01Å; G286-T290 VanDerWaalsContact O-OG1 3.13Å
287	Y	96.9	Very high	94.3	Very high	9 Å²	9	55.5 Å²	55.5	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-50.5	175.9	170.2	-99.4	0	0	0	112	N104 I105 F108 A283 V284 L289 T290 N291 T306	N104-Y287 HydrophobicContact CB-CE2 4.02Å; I105-Y287 HydrophobicContact CB-CD2 4.48Å; I105-Y287 HydrophobicContact CB-CE2 4.44Å; I105-Y287 HydrophobicContact CD1-CD1 4.46Å; I105-Y287 HydrophobicContact CD1-CE1 3.94Å; I105-Y287 HydrophobicContact CD1-CE2 4.4Å; I105-Y287 HydrophobicContact CG1-CD1 3.94Å; I105-Y287 HydrophobicContact CG1-CD2 3.7Å; I105-Y287 HydrophobicContact CG1-CE1 3.68Å; I105-Y287 HydrophobicContact CG1-CE2 3.41Å; I105-Y287 VanDerWaalsContact CG1-CE2 3.41Å; I105-Y287 HydrophobicContact CG1-CG 3.96Å; I105-Y287 VanDerWaalsContact CG1-CZ 3.41Å; F108-Y287 AromaticContact CD2-CD2 3.83Å; F108-Y287 HydrophobicContact CD2-CD2 3.83Å; F108-Y287 HydrophobicContact CD2-CG 4.34Å; F108-Y287 AromaticContact CE2-CD2 3.87Å; F108-Y287 HydrophobicContact CE2-CD2 3.87Å; A283-Y287 PolarHBondContact O-N 3.33Å; V284-Y287 PolarHBondContact O-N 3.44Å; Y287-L289 PolarHBondContact O-N 2.88Å; Y287-T290 PolarHBondContact O-N 2.81Å; Y287-N291 VanDerWaalsContact CE2-ND2 3.33Å; Y287-N291 WeakPolarHBondContact CE2-ND2 3.37Å; Y287-N291 PolarHBondContact O-N 3.49Å; Y287-N291 PolarHBondContact O-ND2 3.37Å; Y287-T306 HydrophobicContact CD1-CG2 4.21Å
288	W	97.4	Very high	94.4	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.023	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-39.2	-179.2	-72.5	113.3	0	0	0	112.4	V284 R285 G286 N291 N292 V293 I295 L302 Y305 T306 T359 L363	V284-W288 PolarHBondContact O-N 2.96Å; V284-W288 VanDerWaalsContact O-N 3.12Å; R285-W288 PolarHBondContact O-N 3.13Å; G286-W288 PolarHBondContact O-N 2.8Å; W288-N291 CarbonylContact O-C 3.59Å; W288-N291 PolarHBondContact O-N 3.01Å; W288-N291 VanDerWaalsContact O-N 3.17Å; W288-N292 PolarHBondContact O-N 2.83Å; W288-V293 CarbonylContact C-O 3.47Å; W288-V293 HydrophobicContact CB-CB 4.25Å; W288-V293 HydrophobicContact CE3-CB 4.12Å; W288-V293 HydrophobicContact CE3-CG2 3.9Å; W288-V293 HydrophobicContact CZ3-CG2 4.45Å; W288-V293 WeakPolarHBondContact O-CA 3.46Å; W288-V293 WeakPolarHBondContact O-CB 3.33Å; W288-V293 PolarHBondContact O-N 3.16Å; W288-I295 HydrophobicContact CB-CD1 3.96Å; W288-I295 HydrophobicContact CD2-CD1 4.46Å; W288-I295 HydrophobicContact CG-CD1 3.96Å; W288-L302 HydrophobicContact CD2-CD2 4.37Å; W288-L302 HydrophobicContact CG-CD2 4.38Å; W288-L302 HydrophobicContact CH2-CD1 4.15Å; W288-L302 HydrophobicContact CZ2-CD1 3.53Å; W288-L302 HydrophobicContact CZ2-CG 4.17Å; W288-Y305 HydrophobicContact CH2-CD1 4.34Å; W288-Y305 AromaticContact CH2-CE1 3.93Å; W288-Y305 HydrophobicContact CH2-CE1 3.93Å; W288-Y305 AromaticContact CZ2-CD1 3.91Å; W288-Y305 HydrophobicContact CZ2-CD1 3.91Å; W288-Y305 AromaticContact CZ2-CE1 3.87Å; W288-Y305 HydrophobicContact CZ2-CE1 3.87Å; W288-T306 PolarHBondContact NE1-OG1 3.04Å; W288-T359 HydrophobicContact CE3-CG2 4.11Å; W288-T359 HydrophobicContact CH2-CG2 4.17Å; W288-T359 HydrophobicContact CZ3-CG2 3.47Å; W288-T359 VanDerWaalsContact CZ3-CG2 3.47Å; W288-L363 HydrophobicContact CH2-CD1 3.99Å; W288-L363 HydrophobicContact CZ3-CD1 4.45Å
289	L	96.1	Very high	94.5	Very high	77 Å²	77	52.8 Å²	52.8	40%	0.403	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-45.1	176	-177.8	62.9	0	0	0	112.3	R285 G286 Y287 N291 N292	R285-L289 VanDerWaalsContact O-CB 3.28Å; R285-L289 WeakPolarHBondContact O-CB 3.36Å; R285-L289 PolarHBondContact O-N 2.86Å; G286-L289 PolarHBondContact O-N 2.77Å; Y287-L289 PolarHBondContact O-N 2.88Å; L289-N291 PolarHBondContact O-N 2.82Å; L289-N292 WeakPolarHBondContact O-CA 3.49Å; L289-N292 PolarHBondContact O-N 3.41Å
290	T	96.4	Very high	94.7	Very high	96 Å²	96	49 Å²	49	59%	0.589	25%	0.247	S	C	*	.	H	α-helix	trans	-62.2	-23.2	175.3	-59.1	0	0	0	0	112.7	F108 G286 Y287 N292	F108-T290 HydrophobicContact CZ-CG2 4.27Å; G286-T290 PolarHBondContact O-N 2.88Å; G286-T290 PolarHBondContact O-OG1 3.01Å; G286-T290 VanDerWaalsContact O-OG1 3.13Å; Y287-T290 PolarHBondContact O-N 2.81Å; T290-N292 VanDerWaalsContact C-N 3.33Å
291	N	95.4	Very high	94.9	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	23.8	173	-68.8	-90.3	0	0	0	112.7	Y287 W288 L289 V293	Y287-N291 VanDerWaalsContact CE2-ND2 3.33Å; Y287-N291 WeakPolarHBondContact CE2-ND2 3.37Å; Y287-N291 PolarHBondContact O-N 3.49Å; Y287-N291 PolarHBondContact O-ND2 3.37Å; W288-N291 CarbonylContact O-C 3.59Å; W288-N291 PolarHBondContact O-N 3.01Å; W288-N291 VanDerWaalsContact O-N 3.17Å; L289-N291 PolarHBondContact O-N 2.82Å; N291-V293 PolarHBondContact O-N 3.04Å; N291-V293 VanDerWaalsContact O-N 3.17Å
292	N	96	Very high	95.1	Very high	131 Å²	131	48.8 Å²	48.8	70%	0.701	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	12	179.4	-63.2	-50.2	0	0	0	116.1	W288 L289 T290 H294	W288-N292 PolarHBondContact O-N 2.83Å; L289-N292 WeakPolarHBondContact O-CA 3.49Å; L289-N292 PolarHBondContact O-N 3.41Å; T290-N292 VanDerWaalsContact C-N 3.33Å; N292-H294 PolarHBondContact O-N 3.43Å; N292-H294 PolarHBondContact O-ND1 3.34Å
293	V	96.1	Very high	95.3	Very high	17 Å²	17	45.6 Å²	45.6	10%	0.103	23%	0.233	C	C	.	.			trans	-93.1	97	177.3	-163.7	0	0	0	0	109.3	W288 N291 I295 L355 T359	W288-V293 CarbonylContact C-O 3.47Å; W288-V293 HydrophobicContact CB-CB 4.25Å; W288-V293 HydrophobicContact CE3-CB 4.12Å; W288-V293 HydrophobicContact CE3-CG2 3.9Å; W288-V293 HydrophobicContact CZ3-CG2 4.45Å; W288-V293 WeakPolarHBondContact O-CA 3.46Å; W288-V293 WeakPolarHBondContact O-CB 3.33Å; W288-V293 PolarHBondContact O-N 3.16Å; N291-V293 PolarHBondContact O-N 3.04Å; N291-V293 VanDerWaalsContact O-N 3.17Å; V293-I295 HydrophobicContact CB-CG1 4.5Å; V293-I295 HydrophobicContact CG1-CD1 3.83Å; V293-I295 HydrophobicContact CG1-CG1 3.79Å; V293-I295 PolarHBondContact O-N 2.74Å; V293-L355 HydrophobicContact CG1-CD2 4.23Å; V293-L355 HydrophobicContact CG1-CG 4.12Å; V293-T359 HydrophobicContact CG1-CG2 4.3Å; V293-T359 WeakPolarHBondContact CG1-OG1 3.43Å; V293-T359 HydrophobicContact CG2-CG2 3.93Å
294	H	92.9	Very high	95.5	Very high	124 Å²	124	45.1 Å²	45.1	57%	0.574	23%	0.228	S	C	*	.			trans	-79.2	80	-171.5	-70.2	74	0	0	0	112.3	N292	N292-H294 PolarHBondContact O-N 3.43Å; N292-H294 PolarHBondContact O-ND1 3.34Å
295	I	89.3	Confident	95.6	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	23%	0.229	C	C	.	.			trans	-96.3	123.7	-176.7	-55.5	179.5	0	0	0	110.7	R285 W288 V293 P298 L302 E356	R285-I295 PolarHBondContact NE-O 3.42Å; W288-I295 HydrophobicContact CB-CD1 3.96Å; W288-I295 HydrophobicContact CD2-CD1 4.46Å; W288-I295 HydrophobicContact CG-CD1 3.96Å; V293-I295 HydrophobicContact CB-CG1 4.5Å; V293-I295 HydrophobicContact CG1-CD1 3.83Å; V293-I295 HydrophobicContact CG1-CG1 3.79Å; V293-I295 PolarHBondContact O-N 2.74Å; I295-P298 HydrophobicContact CG2-CB 4.47Å; I295-P298 HydrophobicContact CG2-CG 4.07Å; I295-L302 HydrophobicContact CD1-CD2 3.19Å; I295-E356 HydrophobicContact CD1-CG 4.1Å
296	K	87.3	Confident	95.7	Very high	120 Å²	120	39.9 Å²	39.9	52%	0.522	21%	0.209	S	C	.	.	S	Bend	trans	-65	-55.6	174.6	-179	179.7	176.7	-173.4	0	111	S349	K296-S349 PolarHBondContact NZ-O 3.19Å
297	R	92.2	Very high	95.7	Very high	77 Å²	77	39 Å²	39	29%	0.291	20%	0.199	S	C	.	.	S	Bend	trans	-145.2	117.1	173.8	-176	-178.2	-67.8	161	-3.5	108.9	F132 P350 H351	F132-R297 HydrophobicContact CE1-CG 3.77Å; F132-R297 HydrophobicContact CE2-CG 4.44Å; F132-R297 VanDerWaalsContact CG-NH2 3.29Å; F132-R297 HydrophobicContact CZ-CG 3.54Å; R297-P350 VanDerWaalsContact CB-O 3.31Å; R297-P350 WeakPolarHBondContact CB-O 3.49Å; R297-P350 PolarHBondContact N-O 3.09Å; R297-P350 VanDerWaalsContact NH1-CB 3.28Å; R297-H351 PolarHBondContact O-ND1 3.1Å
298	P	95.4	Very high	95.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.032	20%	0.197	C	C	.	.			trans	-53.3	141.1	174.6	-27.5	34.8	0	0	0	112.1	L281 V284 I295 L302 H351 E356	L281-P298 HydrophobicContact CD1-CB 4.38Å; L281-P298 HydrophobicContact CD1-CG 4.18Å; V284-P298 HydrophobicContact CG1-CB 4.39Å; V284-P298 HydrophobicContact CG1-CG 4.06Å; I295-P298 HydrophobicContact CG2-CB 4.47Å; I295-P298 HydrophobicContact CG2-CG 4.07Å; P298-L302 HydrophobicContact CB-CD2 4.35Å; P298-H351 PolarHBondContact O-CE1 2.93Å; P298-H351 VanDerWaalsContact O-CE1 3.32Å; P298-H351 PolarHBondContact O-ND1 2.99Å; P298-E356 WeakPolarHBondContact CA-OE1 3.23Å
299	T	96.8	Very high	95.7	Very high	20 Å²	20	38.5 Å²	38.5	12%	0.123	20%	0.198	C	C	.	.			trans	-66.1	161.7	164.3	64.1	0	0	0	0	111.3	G301 L302 L303 H351 M353 E356	T299-G301 PolarHBondContact O-N 2.94Å; T299-G301 PolarHBondContact OG1-N 3.15Å; T299-L302 PolarHBondContact O-N 3.11Å; T299-L302 PolarHBondContact OG1-N 3.02Å; T299-L303 WeakPolarHBondContact O-CB 3.45Å; T299-L303 PolarHBondContact O-N 3.02Å; T299-H351 HydrophobicContact CG2-CB 3.96Å; T299-M353 HydrophobicContact CG2-CE 4.1Å; T299-M353 HydrophobicContact CG2-CG 3.71Å; T299-M353 HydrophobicContact CG2-SD 4.28Å; T299-E356 VanDerWaalsContact CB-OE2 3.28Å; T299-E356 WeakPolarHBondContact CB-OE2 3.27Å; T299-E356 WeakPolarHBondContact CG2-OE2 3.34Å; T299-E356 PolarHBondContact N-OE1 3.43Å; T299-E356 PolarHBondContact N-OE2 3.1Å; T299-E356 PolarHBondContact OG1-OE2 3.43Å
300	T	97.4	Very high	95.6	Very high	32 Å²	32	37.3 Å²	37.3	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-52.5	-41.7	168.4	-54.3	0	0	0	0	111.8	C189 T209 L303 M304	C189-T300 HydrophobicContact CB-CG2 4.15Å; T209-T300 HydrophobicContact CG2-CG2 3.69Å; T209-T300 VanDerWaalsContact OG1-CG2 3.25Å; T209-T300 WeakPolarHBondContact OG1-CG2 3.33Å; T300-L303 PolarHBondContact O-N 3.32Å; T300-M304 HydrophobicContact CG2-CG 4.32Å; T300-M304 WeakPolarHBondContact O-CB 3.5Å; T300-M304 VanDerWaalsContact O-CG 3.29Å; T300-M304 WeakPolarHBondContact O-CG 3.36Å; T300-M304 PolarHBondContact O-N 3.33Å
301	G	98.2	Very high	95.5	Very high	8 Å²	8	33 Å²	33	8%	0.082	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-45.6	-179.5	0	0	0	0	0	112.8	T299 M304 Y305	T299-G301 PolarHBondContact O-N 2.94Å; T299-G301 PolarHBondContact OG1-N 3.15Å; G301-M304 PolarHBondContact O-N 2.82Å; G301-Y305 PolarHBondContact O-N 3.37Å
302	L	97.9	Very high	95.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-36.9	176.6	-171.9	69.9	0	0	0	112.4	W288 I295 P298 T299 Y305 T306 E356 L360	W288-L302 HydrophobicContact CD2-CD2 4.37Å; W288-L302 HydrophobicContact CG-CD2 4.38Å; W288-L302 HydrophobicContact CH2-CD1 4.15Å; W288-L302 HydrophobicContact CZ2-CD1 3.53Å; W288-L302 HydrophobicContact CZ2-CG 4.17Å; I295-L302 HydrophobicContact CD1-CD2 3.19Å; P298-L302 HydrophobicContact CB-CD2 4.35Å; T299-L302 PolarHBondContact O-N 3.11Å; T299-L302 PolarHBondContact OG1-N 3.02Å; L302-Y305 HydrophobicContact CD1-CD1 4.31Å; L302-Y305 PolarHBondContact O-N 2.79Å; L302-T306 WeakPolarHBondContact O-CB 3.47Å; L302-T306 PolarHBondContact O-N 2.85Å; L302-T306 PolarHBondContact O-OG1 3.14Å; L302-E356 WeakPolarHBondContact CB-OE2 3.36Å; L302-E356 HydrophobicContact CD2-CB 4.39Å; L302-E356 HydrophobicContact CD2-CG 3.89Å; L302-L360 HydrophobicContact CD1-CD1 4.38Å; L302-L360 HydrophobicContact CD1-CD2 3.95Å; L302-L360 HydrophobicContact CD1-CG 4.29Å
303	L	97.4	Very high	95.7	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-48.9	173.9	177.3	52.6	0	0	0	111.1	W244 L280 L281 V284 T299 T300 T306 M307	W244-L303 HydrophobicContact CH2-CD2 3.57Å; W244-L303 HydrophobicContact CH2-CG 4.41Å; W244-L303 HydrophobicContact CZ2-CD2 4.23Å; W244-L303 HydrophobicContact CZ3-CD2 4.45Å; L280-L303 HydrophobicContact CD1-CD1 4.27Å; L280-L303 HydrophobicContact CD2-CD1 4.1Å; L280-L303 HydrophobicContact CG-CD1 4.01Å; L281-L303 HydrophobicContact CD1-CD2 4.21Å; V284-L303 HydrophobicContact CB-CD1 4.24Å; V284-L303 HydrophobicContact CG1-CD1 4.28Å; V284-L303 HydrophobicContact CG2-CD1 3.69Å; T299-L303 WeakPolarHBondContact O-CB 3.45Å; T299-L303 PolarHBondContact O-N 3.02Å; T300-L303 PolarHBondContact O-N 3.32Å; L303-T306 PolarHBondContact O-N 3.44Å; L303-M307 HydrophobicContact CD1-CG 4.47Å; L303-M307 HydrophobicContact CD1-SD 4.04Å; L303-M307 HydrophobicContact CG-SD 4.23Å; L303-M307 WeakPolarHBondContact O-CG 3.28Å; L303-M307 PolarHBondContact O-N 3.46Å
304	M	98.2	Very high	95.9	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-43.1	176	-71	-57.6	102.6	0	0	112.3	I164 I187 L207 T209 W244 T300 G301 T306 M307 A308	I164-M304 HydrophobicContact CG2-CB 4.14Å; I187-M304 HydrophobicContact CG2-CB 3.9Å; I187-M304 HydrophobicContact CG2-CG 3.76Å; I187-M304 HydrophobicContact CG2-SD 3.87Å; L207-M304 HydrophobicContact CD2-SD 3.7Å; T209-M304 HydrophobicContact CG2-CE 3.87Å; T209-M304 HydrophobicContact CG2-CG 3.92Å; T209-M304 HydrophobicContact CG2-SD 3.58Å; T209-M304 VanDerWaalsContact CG2-SD 3.58Å; W244-M304 HydrophobicContact CD2-CE 4.1Å; W244-M304 HydrophobicContact CE3-CE 4.09Å; W244-M304 HydrophobicContact CH2-CE 3.99Å; W244-M304 HydrophobicContact CZ2-CE 3.96Å; W244-M304 HydrophobicContact CZ3-CE 4.06Å; T300-M304 HydrophobicContact CG2-CG 4.32Å; T300-M304 WeakPolarHBondContact O-CB 3.5Å; T300-M304 VanDerWaalsContact O-CG 3.29Å; T300-M304 WeakPolarHBondContact O-CG 3.36Å; T300-M304 PolarHBondContact O-N 3.33Å; G301-M304 PolarHBondContact O-N 2.82Å; M304-T306 PolarHBondContact O-N 3.3Å; M304-M307 HydrophobicContact CE-CE 3.98Å; M304-M307 HydrophobicContact CE-SD 3.51Å; M304-M307 VanDerWaalsContact CE-SD 3.51Å; M304-M307 PolarHBondContact O-N 3Å; M304-A308 WeakPolarHBondContact O-CB 3.47Å; M304-A308 PolarHBondContact O-N 2.99Å
305	Y	98.4	Very high	96.1	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-55.8	-50.3	172.3	168.6	-99.9	0	0	0	111.6	I164 W288 G301 L302 M307 A308 T309 I315 L317 L360 L363 L369	I164-Y305 VanDerWaalsContact CD1-CA 3.48Å; W288-Y305 HydrophobicContact CH2-CD1 4.34Å; W288-Y305 AromaticContact CH2-CE1 3.93Å; W288-Y305 HydrophobicContact CH2-CE1 3.93Å; W288-Y305 AromaticContact CZ2-CD1 3.91Å; W288-Y305 HydrophobicContact CZ2-CD1 3.91Å; W288-Y305 AromaticContact CZ2-CE1 3.87Å; W288-Y305 HydrophobicContact CZ2-CE1 3.87Å; G301-Y305 PolarHBondContact O-N 3.37Å; L302-Y305 HydrophobicContact CD1-CD1 4.31Å; L302-Y305 PolarHBondContact O-N 2.79Å; Y305-M307 VanDerWaalsContact C-N 3.33Å; Y305-M307 PolarHBondContact O-N 3.06Å; Y305-A308 PolarHBondContact O-N 3.2Å; Y305-T309 HydrophobicContact CE1-CG2 4.2Å; Y305-T309 HydrophobicContact CE2-CG2 4.2Å; Y305-T309 WeakPolarHBondContact O-CG2 3.48Å; Y305-T309 PolarHBondContact O-N 3.45Å; Y305-T309 VanDerWaalsContact O-N 3.12Å; Y305-I315 HydrophobicContact CD2-CD1 4.22Å; Y305-I315 HydrophobicContact CD2-CG2 4.06Å; Y305-I315 HydrophobicContact CE2-CD1 4.08Å; Y305-I315 HydrophobicContact CE2-CG2 4.38Å; Y305-L317 HydrophobicContact CD2-CD1 4.48Å; Y305-L317 HydrophobicContact CD2-CD2 4.19Å; Y305-L360 HydrophobicContact CD1-CD2 4.01Å; Y305-L360 HydrophobicContact CE1-CD2 4.26Å; Y305-L360 HydrophobicContact CG-CD2 4.2Å; Y305-L363 HydrophobicContact CE1-CD1 4.18Å; Y305-L369 HydrophobicContact CD2-CD2 4.13Å; Y305-L369 HydrophobicContact CE1-CD2 4.43Å; Y305-L369 HydrophobicContact CE2-CB 4.1Å; Y305-L369 HydrophobicContact CE2-CD2 3.46Å; Y305-L369 VanDerWaalsContact CE2-CD2 3.46Å; Y305-L369 HydrophobicContact CE2-CG 4.43Å
306	T	97.7	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-42	-176.5	-43.7	0	0	0	0	111.2	I105 L109 V284 Y287 W288 L302 L303 M304 T309	I105-T306 HydrophobicContact CD1-CG2 3.89Å; I105-T306 HydrophobicContact CG1-CG2 4.22Å; I105-T306 HydrophobicContact CG2-CG2 4.09Å; L109-T306 HydrophobicContact CD2-CG2 3.95Å; V284-T306 HydrophobicContact CG1-CG2 4.19Å; V284-T306 HydrophobicContact CG2-CG2 4.07Å; Y287-T306 HydrophobicContact CD1-CG2 4.21Å; W288-T306 PolarHBondContact NE1-OG1 3.04Å; L302-T306 WeakPolarHBondContact O-CB 3.47Å; L302-T306 PolarHBondContact O-N 2.85Å; L302-T306 PolarHBondContact O-OG1 3.14Å; L303-T306 PolarHBondContact O-N 3.44Å; M304-T306 PolarHBondContact O-N 3.3Å; T306-T309 PolarHBondContact O-OG1 2.78Å
307	M	96.5	Very high	97.2	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.015	6%	0.064	C	C	.	.	H	α-helix	trans	-65.5	-46.7	173.8	-71.9	168.2	55.8	0	0	112.6	I115 W244 L280 L303 M304 Y305 T309 R310 F311	I115-M307 HydrophobicContact CB-CE 4.08Å; I115-M307 HydrophobicContact CD1-CE 4Å; I115-M307 HydrophobicContact CG1-CE 3.66Å; W244-M307 HydrophobicContact CZ2-SD 4.37Å; L280-M307 HydrophobicContact CD1-CG 4.07Å; L280-M307 HydrophobicContact CD1-SD 4.17Å; L280-M307 HydrophobicContact CD2-SD 3.76Å; L303-M307 HydrophobicContact CD1-CG 4.47Å; L303-M307 HydrophobicContact CD1-SD 4.04Å; L303-M307 HydrophobicContact CG-SD 4.23Å; L303-M307 WeakPolarHBondContact O-CG 3.28Å; L303-M307 PolarHBondContact O-N 3.46Å; M304-M307 HydrophobicContact CE-CE 3.98Å; M304-M307 HydrophobicContact CE-SD 3.51Å; M304-M307 VanDerWaalsContact CE-SD 3.51Å; M304-M307 PolarHBondContact O-N 3Å; Y305-M307 VanDerWaalsContact C-N 3.33Å; Y305-M307 PolarHBondContact O-N 3.06Å; M307-T309 PolarHBondContact O-N 3.4Å; M307-R310 WeakPolarHBondContact O-CB 3.36Å; M307-R310 PolarHBondContact O-N 3.49Å; M307-F311 HydrophobicContact CB-CE1 4.41Å; M307-F311 WeakPolarHBondContact O-CE1 3.41Å
308	A	97.5	Very high	97.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.8	-33.1	-177.6	0	0	0	0	0	112.8	I164 I187 M304 Y305 R310 F311 C312 I315	I164-A308 HydrophobicContact CD1-CB 3.73Å; I187-A308 HydrophobicContact CD1-CB 3.78Å; M304-A308 WeakPolarHBondContact O-CB 3.47Å; M304-A308 PolarHBondContact O-N 2.99Å; Y305-A308 PolarHBondContact O-N 3.2Å; A308-R310 PolarHBondContact O-N 3.09Å; A308-F311 HydrophobicContact CB-CE2 4.31Å; A308-F311 HydrophobicContact CB-CZ 4.14Å; A308-F311 PolarHBondContact O-N 3.41Å; A308-F311 VanDerWaalsContact O-N 3.07Å; A308-C312 VanDerWaalsContact O-CB 3.23Å; A308-C312 WeakPolarHBondContact O-CB 3.25Å; A308-C312 PolarHBondContact O-N 3.45Å; A308-I315 HydrophobicContact CB-CD1 3.91Å
309	T	96.4	Very high	97.6	Very high	4 Å²	4	9.6 Å²	9.6	3%	0.025	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-23.6	174.6	66.8	0	0	0	0	113.8	I101 R102 I105 Y305 T306 M307 I315	I101-T309 HydrophobicContact CG2-CG2 4.22Å; R102-T309 WeakPolarHBondContact CD-O 3.44Å; R102-T309 VanDerWaalsContact CG-O 3.23Å; R102-T309 WeakPolarHBondContact CG-O 3.44Å; R102-T309 PolarHBondContact NE-O 3.17Å; I105-T309 HydrophobicContact CD1-CG2 3.66Å; I105-T309 WeakPolarHBondContact CD1-OG1 3.13Å; Y305-T309 HydrophobicContact CE1-CG2 4.2Å; Y305-T309 HydrophobicContact CE2-CG2 4.2Å; Y305-T309 WeakPolarHBondContact O-CG2 3.48Å; Y305-T309 PolarHBondContact O-N 3.45Å; Y305-T309 VanDerWaalsContact O-N 3.12Å; T306-T309 PolarHBondContact O-OG1 2.78Å; M307-T309 PolarHBondContact O-N 3.4Å; T309-I315 HydrophobicContact CG2-CD1 4.09Å
310	R	93.8	Very high	97.7	Very high	53 Å²	53	9.7 Å²	9.7	20%	0.2	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-20.2	-175.6	-63.7	-66.1	-55.7	97.4	9.6	114.7	R102 I105 L109 P111 M307 A308	R102-R310 VanDerWaalsContact CG-NH1 3.28Å; I105-R310 HydrophobicContact CG2-CG 4.02Å; L109-R310 HydrophobicContact CD1-CG 4.02Å; P111-R310 HydrophobicContact CB-CB 4.09Å; P111-R310 HydrophobicContact CG-CB 3.5Å; P111-R310 VanDerWaalsContact CG-CB 3.5Å; P111-R310 HydrophobicContact CG-CG 4.36Å; M307-R310 WeakPolarHBondContact O-CB 3.36Å; M307-R310 PolarHBondContact O-N 3.49Å; A308-R310 PolarHBondContact O-N 3.09Å
311	F	95.7	Very high	97.7	Very high	5 Å²	5	9 Å²	9	2%	0.022	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-1.7	179	57.7	-101	0	0	0	114.4	P111 M154 Q157 Y158 H159 F185 I187 M307 A308	P111-F311 HydrophobicContact CB-CD1 4.19Å; M154-F311 HydrophobicContact CG-CD1 4.34Å; M154-F311 HydrophobicContact CG-CE1 4.32Å; M154-F311 HydrophobicContact SD-CD1 3.84Å; M154-F311 HydrophobicContact SD-CD2 4.16Å; M154-F311 HydrophobicContact SD-CE1 3.7Å; M154-F311 HydrophobicContact SD-CE2 4.03Å; M154-F311 HydrophobicContact SD-CG 4.07Å; M154-F311 HydrophobicContact SD-CZ 3.79Å; Q157-F311 WeakPolarHBondContact O-CB 3.16Å; Y158-F311 CarbonylContact C-O 3.57Å; Y158-F311 WeakPolarHBondContact CA-O 3.44Å; H159-F311 PolarHBondContact N-O 2.85Å; F185-F311 HydrophobicContact CD1-CE2 4.12Å; F185-F311 AromaticContact CE1-CE2 3.92Å; F185-F311 HydrophobicContact CE1-CE2 3.92Å; I187-F311 HydrophobicContact CD1-CE2 4.05Å; I187-F311 HydrophobicContact CD1-CZ 3.93Å; M307-F311 HydrophobicContact CB-CE1 4.41Å; M307-F311 WeakPolarHBondContact O-CE1 3.41Å; A308-F311 HydrophobicContact CB-CE2 4.31Å; A308-F311 HydrophobicContact CB-CZ 4.14Å; A308-F311 PolarHBondContact O-N 3.41Å; A308-F311 VanDerWaalsContact O-N 3.07Å
312	C	97.8	Very high	97.6	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.007	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.7	174.6	-60.6	0	0	0	0	111	R102 H159 C162 A308 I315	R102-C312 PolarHBondContact NH2-O 3.14Å; H159-C312 CarbonylContact O-C 3.55Å; H159-C312 WeakPolarHBondContact O-CA 3.26Å; C162-C312 HydrophobicContact CB-CB 3.68Å; C162-C312 WeakPolarHBondContact CB-SG 3.5Å; C162-C312 WeakPolarHBondContact SG-CB 3.47Å; C162-C312 CovalentContact SG-SG 2.02Å; C162-C312 PolarHBondContact SG-SG 3.39Å; A308-C312 VanDerWaalsContact O-CB 3.23Å; A308-C312 WeakPolarHBondContact O-CB 3.25Å; A308-C312 PolarHBondContact O-N 3.45Å; C312-I315 HydrophobicContact CB-CD1 4.1Å; C312-I315 HydrophobicContact CB-CG1 3.69Å
313	E	97.8	Very high	97.5	Very high	20 Å²	20	10.2 Å²	10.2	9%	0.093	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-58.2	172.2	178.3	160.2	-94.1	0	0	111.8	F93 K95 S98 R102 Y158 H159 R160	F93-E313 HydrophobicContact CE1-CG 4.16Å; F93-E313 HydrophobicContact CZ-CG 4.39Å; F93-E313 VanDerWaalsContact CZ-O 3.3Å; F93-E313 WeakPolarHBondContact CZ-O 3.32Å; K95-E313 VanDerWaalsContact CE-CD 3.49Å; K95-E313 WeakPolarHBondContact CE-OE1 3.09Å; K95-E313 IonicContact NZ-OE1 2.65Å; K95-E313 PolarHBondContact NZ-OE1 3.2Å; K95-E313 IonicContact NZ-OE2 2.79Å; K95-E313 PolarHBondContact NZ-OE2 3.17Å; S98-E313 PolarHBondContact OG-O 2.9Å; S98-E313 VanDerWaalsContact OG-O 3.12Å; R102-E313 PolarHBondContact NH2-O 3.32Å; R102-E313 VanDerWaalsContact NH2-O 3.16Å; Y158-E313 HydrophobicContact CE2-CB 4.29Å; Y158-E313 WeakPolarHBondContact OH-CB 3.36Å; Y158-E313 VanDerWaalsContact OH-CD 3.27Å; Y158-E313 PolarHBondContact OH-OE1 3.04Å; H159-E313 PolarHBondContact O-N 3.17Å; R160-E313 WeakPolarHBondContact O-CB 3.3Å
314	E	98.6	Very high	97.4	Very high	30 Å²	30	12.4 Å²	12.4	14%	0.14	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.1	179.9	-175.7	173.9	-179.1	0	0	109.8	W91 F93 R160 R161 C162 H316	W91-E314 HydrophobicContact CH2-CG 4.46Å; W91-E314 VanDerWaalsContact CH2-OE1 3.32Å; W91-E314 WeakPolarHBondContact CH2-OE1 3.42Å; W91-E314 WeakPolarHBondContact CZ3-OE1 3.38Å; F93-E314 HydrophobicContact CD1-CB 4.27Å; F93-E314 HydrophobicContact CD1-CG 4.19Å; F93-E314 HydrophobicContact CD2-CB 4.43Å; F93-E314 HydrophobicContact CD2-CG 3.89Å; F93-E314 HydrophobicContact CE1-CB 3.99Å; F93-E314 HydrophobicContact CE1-CG 4.34Å; F93-E314 HydrophobicContact CE2-CB 4.16Å; F93-E314 HydrophobicContact CE2-CG 4.07Å; F93-E314 HydrophobicContact CG-CG 3.97Å; F93-E314 HydrophobicContact CZ-CB 3.94Å; F93-E314 HydrophobicContact CZ-CG 4.3Å; R160-E314 WeakPolarHBondContact O-CB 3.36Å; R160-E314 PolarHBondContact O-N 2.93Å; R161-E314 HydrophobicContact CG-CB 4.38Å; C162-E314 PolarHBondContact N-O 3.35Å; E314-H316 IonicContact OE1-NE2 3.56Å
315	I	98.9	Very high	97.2	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.3	-174	-60.2	170.8	0	0	0	110.3	C162 I164 Y305 A308 T309 C312 L317 L369 R370	C162-I315 WeakPolarHBondContact O-CA 3.29Å; I164-I315 HydrophobicContact CD1-CG2 3.78Å; I164-I315 HydrophobicContact CG1-CG2 3.98Å; Y305-I315 HydrophobicContact CD2-CD1 4.22Å; Y305-I315 HydrophobicContact CD2-CG2 4.06Å; Y305-I315 HydrophobicContact CE2-CD1 4.08Å; Y305-I315 HydrophobicContact CE2-CG2 4.38Å; A308-I315 HydrophobicContact CB-CD1 3.91Å; T309-I315 HydrophobicContact CG2-CD1 4.09Å; C312-I315 HydrophobicContact CB-CD1 4.1Å; C312-I315 HydrophobicContact CB-CG1 3.69Å; I315-L317 HydrophobicContact CG2-CD2 3.81Å; I315-L369 WeakPolarHBondContact O-CA 3.49Å; I315-R370 PolarHBondContact O-N 2.96Å
316	H	98.9	Very high	97	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.3	170.3	-72.2	-156.1	0	0	0	110.1	R161 C162 A163 I164 E179 H183 E314 Y318 R370 H372	R161-H316 PolarHBondContact NH2-CE1 2.52Å; C162-H316 PolarHBondContact O-N 3.43Å; A163-H316 CarbonylContact C-O 3.45Å; A163-H316 WeakPolarHBondContact CA-O 3.5Å; I164-H316 PolarHBondContact N-O 3.21Å; E179-H316 IonicContact OE1-CE1 3.76Å; E179-H316 IonicContact OE1-ND1 3.37Å; E179-H316 PolarHBondContact OE1-ND1 3.49Å; H183-H316 AromaticContact CE1-ND1 3.6Å; H183-H316 AromaticContact NE2-CD2 3.92Å; H183-H316 AromaticContact NE2-CE1 3.64Å; H183-H316 AromaticContact NE2-CG 3.29Å; H183-H316 VanDerWaalsContact NE2-CG 3.29Å; H183-H316 AromaticContact NE2-ND1 3.08Å; H183-H316 PolarHBondContact NE2-ND1 3.06Å; E314-H316 IonicContact OE1-NE2 3.56Å; H316-Y318 HydrophobicContact CB-CD2 4.35Å; H316-Y318 HydrophobicContact CB-CE2 3.46Å; H316-Y318 VanDerWaalsContact CB-CE2 3.46Å; H316-Y318 PolarHBondContact ND1-OH 3.47Å; H316-R370 CarbonylContact C-O 3.54Å; H316-R370 WeakPolarHBondContact CA-O 3.16Å; H316-H372 AromaticContact CE1-NE2 3.99Å; H316-H372 AromaticContact CG-NE2 3.75Å; H316-H372 AromaticContact ND1-NE2 3.21Å; H316-H372 PolarHBondContact ND1-NE2 3.13Å
317	L	98.9	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.6	179	-57.6	-173.5	0	0	0	110.1	I164 Y305 I315 F320 L360 L369 R370 L371 H372	I164-L317 HydrophobicContact CB-CD2 3.71Å; I164-L317 HydrophobicContact CD1-CD2 3.89Å; I164-L317 HydrophobicContact CG1-CD2 3.98Å; Y305-L317 HydrophobicContact CD2-CD1 4.48Å; Y305-L317 HydrophobicContact CD2-CD2 4.19Å; I315-L317 HydrophobicContact CG2-CD2 3.81Å; L317-F320 HydrophobicContact CB-CD2 3.79Å; L317-F320 HydrophobicContact CB-CE2 4.05Å; L317-F320 HydrophobicContact CB-CG 4.29Å; L317-F320 HydrophobicContact CD1-CD1 4.47Å; L317-F320 HydrophobicContact CD1-CE1 4.47Å; L317-F320 HydrophobicContact CD2-CE2 3.99Å; L317-F320 HydrophobicContact CD2-CZ 4.08Å; L317-F320 HydrophobicContact CG-CE2 4.45Å; L317-L360 HydrophobicContact CD1-CB 4.36Å; L317-L360 HydrophobicContact CD1-CD1 4Å; L317-L360 HydrophobicContact CD1-CD2 3.9Å; L317-L360 HydrophobicContact CD1-CG 4.3Å; L317-L369 HydrophobicContact CD1-CD1 3.83Å; L317-L369 HydrophobicContact CD1-CD2 3.98Å; L317-L369 HydrophobicContact CD1-CG 4.49Å; L317-L369 HydrophobicContact CG-CD1 4.2Å; L317-R370 PolarHBondContact N-O 3.11Å; L317-L371 HydrophobicContact CB-CD1 3.8Å; L317-L371 HydrophobicContact CD1-CD1 4.34Å; L317-H372 PolarHBondContact O-N 2.62Å
318	Y	98.8	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141	180	-59.8	-90.7	0	0	0	109	A163 I164 G166 C176 E179 I180 H183 H316 F320 H372	A163-Y318 HydrophobicContact CB-CD2 4.01Å; A163-Y318 HydrophobicContact CB-CE2 3.71Å; I164-Y318 PolarHBondContact O-N 2.92Å; G166-Y318 PolarHBondContact N-O 3.09Å; C176-Y318 HydrophobicContact CB-CD1 4.2Å; C176-Y318 HydrophobicContact CB-CE1 4.38Å; E179-Y318 PolarHBondContact OE1-OH 2.92Å; I180-Y318 HydrophobicContact CD1-CD1 3.99Å; I180-Y318 HydrophobicContact CD1-CD2 4.33Å; I180-Y318 HydrophobicContact CD1-CG 3.88Å; I180-Y318 HydrophobicContact CG1-CD1 3.79Å; I180-Y318 HydrophobicContact CG1-CD2 3.75Å; I180-Y318 HydrophobicContact CG1-CE1 3.91Å; I180-Y318 HydrophobicContact CG1-CE2 3.84Å; I180-Y318 HydrophobicContact CG1-CG 3.72Å; H183-Y318 PolarHBondContact CE1-OH 3.26Å; H316-Y318 HydrophobicContact CB-CD2 4.35Å; H316-Y318 HydrophobicContact CB-CE2 3.46Å; H316-Y318 VanDerWaalsContact CB-CE2 3.46Å; H316-Y318 PolarHBondContact ND1-OH 3.47Å; Y318-F320 VanDerWaalsContact C-N 3.31Å; Y318-F320 VanDerWaalsContact O-CD2 3.3Å; Y318-F320 WeakPolarHBondContact O-CD2 3.11Å; Y318-F320 PolarHBondContact O-N 3.18Å; Y318-H372 HydrophobicContact CD1-CB 3.76Å; Y318-H372 AromaticContact CD1-CD2 3.72Å; Y318-H372 AromaticContact CD1-CG 3.9Å; Y318-H372 HydrophobicContact CE1-CB 3.95Å; Y318-H372 AromaticContact CE1-CD2 3.19Å; Y318-H372 WeakPolarHBondContact CE1-CD2 3.42Å; Y318-H372 AromaticContact CE1-CE1 3.92Å; Y318-H372 AromaticContact CE1-CG 3.56Å; Y318-H372 AromaticContact CE1-NE2 3.47Å; Y318-H372 WeakPolarHBondContact CE1-NE2 3.39Å; Y318-H372 AromaticContact CE2-CD2 3.99Å; Y318-H372 AromaticContact CZ-CD2 3.34Å; Y318-H372 AromaticContact CZ-NE2 3.35Å; Y318-H372 VanDerWaalsContact CZ-NE2 3.35Å; Y318-H372 PolarHBondContact OH-NE2 3.08Å
319	G	98.4	Very high	95.4	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	14%	0.144	C	C	.	.	S	Bend	trans	71.6	21.4	177.7	0	0	0	0	0	115.2	G166 S168 W321	G166-G319 CarbonylContact C-O 3.56Å; S168-G319 WeakPolarHBondContact CB-O 3.3Å; S168-G319 PolarHBondContact N-O 3.22Å; S168-G319 VanDerWaalsContact N-O 3.1Å; G319-W321 PolarHBondContact O-N 3.18Å
320	F	98.4	Very high	95.1	Very high	22 Å²	22	34 Å²	34	10%	0.096	18%	0.175	C	C	.	.			trans	-95.2	78.9	172.9	-78.3	-108.3	0	0	0	109.9	I164 L317 Y318 F357 L360 L371	I164-F320 HydrophobicContact CB-CE2 4.32Å; I164-F320 HydrophobicContact CG2-CE2 4.03Å; I164-F320 HydrophobicContact CG2-CZ 3.97Å; L317-F320 HydrophobicContact CB-CD2 3.79Å; L317-F320 HydrophobicContact CB-CE2 4.05Å; L317-F320 HydrophobicContact CB-CG 4.29Å; L317-F320 HydrophobicContact CD1-CD1 4.47Å; L317-F320 HydrophobicContact CD1-CE1 4.47Å; L317-F320 HydrophobicContact CD2-CE2 3.99Å; L317-F320 HydrophobicContact CD2-CZ 4.08Å; L317-F320 HydrophobicContact CG-CE2 4.45Å; Y318-F320 VanDerWaalsContact C-N 3.31Å; Y318-F320 VanDerWaalsContact O-CD2 3.3Å; Y318-F320 WeakPolarHBondContact O-CD2 3.11Å; Y318-F320 PolarHBondContact O-N 3.18Å; F320-F357 WeakPolarHBondContact O-CD2 3.48Å; F320-F357 WeakPolarHBondContact O-CE2 3.49Å; F320-L360 HydrophobicContact CD1-CD1 3.58Å; F320-L360 HydrophobicContact CE1-CD1 3.9Å; F320-L371 HydrophobicContact CB-CD1 3.75Å
321	W	97.7	Very high	95.2	Very high	16 Å²	16	37.2 Å²	37.2	6%	0.061	20%	0.202	C	C	.	.			trans	-142.1	98	178.2	-175.7	-90.6	0	0	0	111.2	S168 I170 G319 F323 L325 P327 F357 T373	S168-W321 WeakPolarHBondContact CB-O 3.46Å; S168-W321 PolarHBondContact OG-O 2.97Å; I170-W321 HydrophobicContact CB-CB 3.71Å; I170-W321 HydrophobicContact CB-CG 4.02Å; I170-W321 HydrophobicContact CD1-CD2 4.24Å; I170-W321 HydrophobicContact CD1-CG 4.19Å; I170-W321 HydrophobicContact CG1-CB 4.06Å; I170-W321 HydrophobicContact CG1-CD2 4.34Å; I170-W321 HydrophobicContact CG1-CG 4.05Å; I170-W321 HydrophobicContact CG2-CB 3.63Å; I170-W321 HydrophobicContact CG2-CG 4.46Å; G319-W321 PolarHBondContact O-N 3.18Å; W321-F323 VanDerWaalsContact C-N 3.35Å; W321-F323 AromaticContact CD2-CD2 3.95Å; W321-F323 HydrophobicContact CD2-CD2 3.95Å; W321-F323 AromaticContact CE2-CD2 3.74Å; W321-F323 HydrophobicContact CE3-CD2 4.38Å; W321-F323 HydrophobicContact CG-CD2 4.34Å; W321-F323 HydrophobicContact CH2-CD2 4.43Å; W321-F323 HydrophobicContact CZ2-CB 4.48Å; W321-F323 AromaticContact CZ2-CD2 3.99Å; W321-F323 HydrophobicContact CZ2-CD2 3.99Å; W321-F323 PolarHBondContact NE1-O 3.02Å; W321-F323 PolarHBondContact O-N 3.09Å; W321-L325 VanDerWaalsContact CZ2-O 3.24Å; W321-L325 WeakPolarHBondContact CZ2-O 3.36Å; W321-L325 PolarHBondContact NE1-O 2.92Å; W321-P327 HydrophobicContact CH2-CG 3.86Å; W321-P327 HydrophobicContact CZ2-CG 4.34Å; W321-P327 HydrophobicContact CZ3-CG 4.3Å; W321-F357 AromaticContact CE3-CE2 3.87Å; W321-F357 HydrophobicContact CE3-CE2 3.87Å; W321-F357 AromaticContact CE3-CZ 3.8Å; W321-F357 HydrophobicContact CE3-CZ 3.8Å; W321-F357 HydrophobicContact CZ3-CE2 4.31Å; W321-F357 AromaticContact CZ3-CZ 3.76Å; W321-F357 HydrophobicContact CZ3-CZ 3.76Å; W321-T373 HydrophobicContact CE3-CG2 3.91Å; W321-T373 HydrophobicContact CZ3-CG2 4.22Å
322	P	96.4	Very high	95.2	Very high	12 Å²	12	38 Å²	38	8%	0.078	21%	0.207	C	C	.	.			trans	-95.6	51	-175.4	38.7	-36.3	0	0	0	112.3	Y344 M353 F357	P322-Y344 VanDerWaalsContact CA-CE1 3.43Å; P322-Y344 HydrophobicContact CB-CD1 3.69Å; P322-Y344 HydrophobicContact CB-CE1 3.83Å; P322-Y344 HydrophobicContact CB-CG 4.45Å; P322-Y344 WeakPolarHBondContact O-CD1 3.39Å; P322-Y344 WeakPolarHBondContact O-CD2 3.29Å; P322-M353 HydrophobicContact CB-CB 3.51Å; P322-M353 HydrophobicContact CB-SD 4.36Å; P322-M353 HydrophobicContact CG-CB 4.1Å; P322-F357 HydrophobicContact CG-CB 3.64Å; P322-F357 HydrophobicContact CG-CG 4.22Å
323	F	95.8	Very high	95.2	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.105	23%	0.228	C	C	.	.	S	Bend	trans	-138.5	146.9	178.6	-49.7	-76.8	0	0	0	110.7	W321 L325 P354 F357	W321-F323 VanDerWaalsContact C-N 3.35Å; W321-F323 AromaticContact CD2-CD2 3.95Å; W321-F323 HydrophobicContact CD2-CD2 3.95Å; W321-F323 AromaticContact CE2-CD2 3.74Å; W321-F323 HydrophobicContact CE3-CD2 4.38Å; W321-F323 HydrophobicContact CG-CD2 4.34Å; W321-F323 HydrophobicContact CH2-CD2 4.43Å; W321-F323 HydrophobicContact CZ2-CB 4.48Å; W321-F323 AromaticContact CZ2-CD2 3.99Å; W321-F323 HydrophobicContact CZ2-CD2 3.99Å; W321-F323 PolarHBondContact NE1-O 3.02Å; W321-F323 PolarHBondContact O-N 3.09Å; F323-L325 PolarHBondContact O-N 3.06Å; F323-P354 HydrophobicContact CE1-CB 4.01Å; F323-P354 HydrophobicContact CE1-CG 4.37Å; F323-P354 HydrophobicContact CZ-CB 4.38Å; F323-F357 AromaticContact CE2-CD1 3.49Å; F323-F357 HydrophobicContact CE2-CD1 3.49Å; F323-F357 VanDerWaalsContact CE2-CD1 3.49Å; F323-F357 HydrophobicContact CE2-CD2 4.43Å; F323-F357 AromaticContact CE2-CE1 3.69Å; F323-F357 HydrophobicContact CE2-CE1 3.69Å; F323-F357 AromaticContact CE2-CG 3.9Å; F323-F357 HydrophobicContact CE2-CG 3.9Å; F323-F357 HydrophobicContact CE2-CZ 4.24Å; F323-F357 AromaticContact CZ-CD1 3.77Å; F323-F357 HydrophobicContact CZ-CD1 3.77Å; F323-F357 HydrophobicContact CZ-CE1 4.26Å; F323-F357 HydrophobicContact CZ-CG 4.3Å
324	P	94.7	Very high	95.1	Very high	55 Å²	55	44.2 Å²	44.2	36%	0.357	23%	0.232	S	C	.	.	S	Bend	trans	-76.7	-8.8	-179	32.4	-36.5	0	0	0	113.8	P331 V332	P324-P331 WeakPolarHBondContact O-CA 3.08Å; P324-V332 PolarHBondContact O-N 3.5Å
325	L	95	Very high	95.1	Very high	76 Å²	76	43.2 Å²	43.2	40%	0.398	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-125.5	140.5	177.9	-57.8	176.6	0	0	0	109	W321 F323 R330	W321-L325 VanDerWaalsContact CZ2-O 3.24Å; W321-L325 WeakPolarHBondContact CZ2-O 3.36Å; W321-L325 PolarHBondContact NE1-O 2.92Å; F323-L325 PolarHBondContact O-N 3.06Å; L325-R330 CarbonylContact C-O 3.58Å; L325-R330 WeakPolarHBondContact CA-O 3.13Å
326	G	92.6	Very high	95	Very high	4 Å²	4	43 Å²	43	4%	0.041	23%	0.227	C	C	.	.			trans	-83.6	179.8	172.8	0	0	0	0	0	112.8	Q328 G329 R330	G326-Q328 PolarHBondContact O-N 3.32Å; G326-Q328 VanDerWaalsContact O-N 3.16Å; G326-G329 PolarHBondContact O-N 3.49Å; G326-R330 PolarHBondContact N-O 2.86Å
327	P	84	Confident	94.9	Very high	43 Å²	43	45.2 Å²	45.2	28%	0.279	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.1	-176.3	-26	34.6	0	0	0	114.6	W321	W321-P327 HydrophobicContact CH2-CG 3.86Å; W321-P327 HydrophobicContact CZ2-CG 4.34Å; W321-P327 HydrophobicContact CZ3-CG 4.3Å
328	Q	85.4	Confident	94.6	Very high	122 Å²	122	46.8 Å²	46.8	57%	0.57	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	21.5	178	-53.2	79.1	9.1	0	0	113	G326 R330	G326-Q328 PolarHBondContact O-N 3.32Å; G326-Q328 VanDerWaalsContact O-N 3.16Å; Q328-R330 PolarHBondContact O-N 2.63Å; Q328-R330 VanDerWaalsContact O-N 3.13Å
329	G	89.4	Confident	94.3	Very high	48 Å²	48	52.8 Å²	52.8	50%	0.495	28%	0.281	S	S	.	.	S	Bend	trans	70.8	3.3	180	0	0	0	0	0	115.5	G326	G326-G329 PolarHBondContact O-N 3.49Å
330	R	90.7	Very high	93.9	Very high	175 Å²	175	56.2 Å²	56.2	66%	0.66	30%	0.298	S	S	*	.			trans	-67.6	141	176	-59.7	-178.6	-169.9	167.8	2.7	110.5	L325 G326 Q328 V332	L325-R330 CarbonylContact C-O 3.58Å; L325-R330 WeakPolarHBondContact CA-O 3.13Å; G326-R330 PolarHBondContact N-O 2.86Å; Q328-R330 PolarHBondContact O-N 2.63Å; Q328-R330 VanDerWaalsContact O-N 3.13Å; R330-V332 PolarHBondContact O-N 3.01Å
331	P	95.3	Very high	93.4	Very high	119 Å²	119	64.7 Å²	64.7	77%	0.773	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-57.8	136.9	173.4	-25.2	35	0	0	0	112.5	P324	P324-P331 WeakPolarHBondContact O-CA 3.08Å
332	V	96.7	Very high	93	Very high	21 Å²	21	66.9 Å²	66.9	13%	0.127	34%	0.343	C	S	.	.			trans	-121.4	125.1	176.1	172.8	0	0	0	0	109	I170 P324 R330	I170-V332 HydrophobicContact CB-CG1 4.3Å; I170-V332 HydrophobicContact CD1-CG2 4.04Å; P324-V332 PolarHBondContact O-N 3.5Å; R330-V332 PolarHBondContact O-N 3.01Å
333	K	96.6	Very high	92.7	Very high	102 Å²	102	72.1 Å²	72.1	44%	0.443	37%	0.367	S	S	.	.			trans	-66.7	151.1	174.8	-63	-177.2	176.3	-174.7	0	110.9	G169 L172 H335	G169-K333 WeakPolarHBondContact CA-O 3.37Å; G169-K333 PolarHBondContact N-O 3.43Å; L172-K333 HydrophobicContact CD1-CD 4.04Å; K333-H335 VanDerWaalsContact C-N 3.34Å; K333-H335 WeakPolarHBondContact CB-O 3.01Å; K333-H335 PolarHBondContact O-N 2.85Å
334	Y	96.3	Very high	92.3	Very high	50 Å²	50	72 Å²	72	20%	0.196	37%	0.366	C	S	.	.	S	Bend	trans	-62.8	-42.1	174.2	174.2	-134.1	0	0	0	112	S168 L340 Y342 Y344 M353	S168-Y334 WeakPolarHBondContact CA-O 3.35Å; Y334-L340 WeakPolarHBondContact CB-O 3.44Å; Y334-L340 HydrophobicContact CD1-CB 4.24Å; Y334-Y342 HydrophobicContact CD1-CG 4.38Å; Y334-Y342 HydrophobicContact CD2-CG 4.27Å; Y334-Y342 AromaticContact CE1-CD2 3.89Å; Y334-Y342 HydrophobicContact CE1-CD2 3.89Å; Y334-Y342 HydrophobicContact CE1-CG 4.02Å; Y334-Y342 HydrophobicContact CE2-CD1 4.26Å; Y334-Y342 HydrophobicContact CE2-CD2 4.42Å; Y334-Y342 AromaticContact CE2-CG 3.92Å; Y334-Y342 HydrophobicContact CE2-CG 3.92Å; Y334-Y342 HydrophobicContact CG-CG 4.49Å; Y334-Y342 AromaticContact CZ-CD2 3.83Å; Y334-Y342 AromaticContact CZ-CG 3.78Å; Y334-Y344 AromaticContact CD2-CE1 3.67Å; Y334-Y344 HydrophobicContact CD2-CE1 3.67Å; Y334-Y344 AromaticContact CD2-CZ 3.83Å; Y334-Y344 WeakPolarHBondContact CD2-OH 3.49Å; Y334-Y344 AromaticContact CE2-CE1 3.94Å; Y334-Y344 HydrophobicContact CE2-CE1 3.94Å; Y334-M353 HydrophobicContact CE2-CE 4.42Å; Y334-M353 HydrophobicContact CE2-SD 4.41Å
335	H	97.6	Very high	91.7	Very high	9 Å²	9	73.1 Å²	73.1	4%	0.042	37%	0.372	C	S	.	.	S	Bend	trans	-118.6	151.5	167.1	-56.1	137.7	0	0	0	111.9	N167 K333 Y337 D338	N167-H335 CarbonylContact O-C 3.43Å; N167-H335 WeakPolarHBondContact O-CA 3.26Å; K333-H335 VanDerWaalsContact C-N 3.34Å; K333-H335 WeakPolarHBondContact CB-O 3.01Å; K333-H335 PolarHBondContact O-N 2.85Å; H335-Y337 HydrophobicContact CB-CD1 4.01Å; H335-Y337 HydrophobicContact CB-CD2 4.27Å; H335-Y337 HydrophobicContact CB-CE1 3.76Å; H335-Y337 HydrophobicContact CB-CE2 4Å; H335-Y337 HydrophobicContact CB-CG 4.26Å; H335-Y337 AromaticContact CG-CZ 3.66Å; H335-Y337 AromaticContact ND1-CE2 3.9Å; H335-Y337 AromaticContact ND1-CZ 3.75Å; H335-Y337 PolarHBondContact ND1-OH 3.33Å; H335-Y337 PolarHBondContact O-N 3.18Å; H335-D338 IonicContact CE1-OD2 3.51Å; H335-D338 IonicContact CG-OD1 3.35Å; H335-D338 IonicContact CG-OD2 2.64Å; H335-D338 IonicContact ND1-OD1 3.42Å; H335-D338 PolarHBondContact ND1-OD1 3.21Å; H335-D338 IonicContact ND1-OD2 3.28Å; H335-D338 PolarHBondContact ND1-OD2 2.86Å
336	Y	97.9	Very high	91.4	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.008	36%	0.361	C	S	.	.	S	Bend	trans	-64.9	-24.8	173	59	-101.3	0	0	0	112.9	N167 L171 A192 P193 Y197 V201	N167-Y336 WeakPolarHBondContact O-CD1 3.42Å; N167-Y336 PolarHBondContact O-N 3.17Å; L171-Y336 HydrophobicContact CD1-CD1 4.04Å; L171-Y336 HydrophobicContact CD1-CE1 4.16Å; A192-Y336 VanDerWaalsContact CB-OH 3.27Å; A192-Y336 WeakPolarHBondContact CB-OH 3.31Å; P193-Y336 HydrophobicContact CG-CE2 4.45Å; P193-Y336 VanDerWaalsContact O-CE2 3.28Å; P193-Y336 WeakPolarHBondContact O-CE2 3.45Å; P193-Y336 PolarHBondContact O-OH 2.86Å; Y197-Y336 AromaticContact CD1-CD2 3.85Å; Y197-Y336 HydrophobicContact CD1-CD2 3.85Å; Y197-Y336 HydrophobicContact CD1-CE2 4.48Å; Y197-Y336 AromaticContact CD2-CD2 3.88Å; Y197-Y336 HydrophobicContact CD2-CD2 3.88Å; Y197-Y336 AromaticContact CD2-CE2 3.8Å; Y197-Y336 HydrophobicContact CD2-CE2 3.8Å; Y197-Y336 HydrophobicContact CE1-CD2 4.29Å; Y197-Y336 HydrophobicContact CE2-CD2 4.31Å; Y197-Y336 HydrophobicContact CE2-CE2 4.47Å; Y197-Y336 AromaticContact CG-CD2 3.65Å; Y197-Y336 HydrophobicContact CG-CD2 3.65Å; Y197-Y336 AromaticContact CG-CE2 3.82Å; Y197-Y336 HydrophobicContact CG-CE2 3.82Å; V201-Y336 HydrophobicContact CG1-CD1 4.24Å; V201-Y336 HydrophobicContact CG1-CD2 4.21Å; V201-Y336 HydrophobicContact CG1-CE1 3.98Å; V201-Y336 HydrophobicContact CG1-CE2 3.94Å; V201-Y336 HydrophobicContact CG1-CG 4.36Å; V201-Y336 HydrophobicContact CG2-CE2 4.33Å
337	Y	96.3	Very high	90.8	Very high	46 Å²	46	76.1 Å²	76.1	18%	0.18	40%	0.399	C	S	.	.	S	Bend	trans	-108.6	-7.4	-167.4	56.8	-100.2	0	0	0	117	N167 A192 P193 Y197 H335	N167-Y337 HydrophobicContact CB-CE1 3.89Å; N167-Y337 PolarHBondContact ND2-OH 2.92Å; A192-Y337 HydrophobicContact CB-CD1 4.02Å; A192-Y337 HydrophobicContact CB-CE1 3.51Å; P193-Y337 HydrophobicContact CG-CD1 4.01Å; P193-Y337 HydrophobicContact CG-CD2 4.16Å; P193-Y337 HydrophobicContact CG-CG 3.56Å; Y197-Y337 WeakPolarHBondContact OH-CA 3.39Å; H335-Y337 HydrophobicContact CB-CD1 4.01Å; H335-Y337 HydrophobicContact CB-CD2 4.27Å; H335-Y337 HydrophobicContact CB-CE1 3.76Å; H335-Y337 HydrophobicContact CB-CE2 4Å; H335-Y337 HydrophobicContact CB-CG 4.26Å; H335-Y337 AromaticContact CG-CZ 3.66Å; H335-Y337 AromaticContact ND1-CE2 3.9Å; H335-Y337 AromaticContact ND1-CZ 3.75Å; H335-Y337 PolarHBondContact ND1-OH 3.33Å; H335-Y337 PolarHBondContact O-N 3.18Å
338	D	93	Very high	90.7	Very high	34 Å²	34	78.5 Å²	78.5	18%	0.182	42%	0.416	C	S	.	.	S	Bend	trans	-134	-172.4	-178.8	69.6	35.8	0	0	0	112.8	H335 L340	H335-D338 IonicContact CE1-OD2 3.51Å; H335-D338 IonicContact CG-OD1 3.35Å; H335-D338 IonicContact CG-OD2 2.64Å; H335-D338 IonicContact ND1-OD1 3.42Å; H335-D338 PolarHBondContact ND1-OD1 3.21Å; H335-D338 IonicContact ND1-OD2 3.28Å; H335-D338 PolarHBondContact ND1-OD2 2.86Å; D338-L340 VanDerWaalsContact OD1-CB 3.26Å; D338-L340 WeakPolarHBondContact OD1-CB 3.34Å; D338-L340 PolarHBondContact OD1-N 2.58Å; D338-L340 WeakPolarHBondContact OD2-CD1 3.45Å
339	T	92.1	Very high	90.7	Very high	126 Å²	126	73.2 Å²	73.2	77%	0.773	39%	0.393	S	S	*	.			trans	-111.1	10.5	178.4	54.6	0	0	0	0	112.4
340	L	89.6	Confident	90.6	Very high	74 Å²	74	72.9 Å²	72.9	39%	0.387	38%	0.382	S	S	.	.			trans	-63.3	144	-180	-64.1	-179.4	0	0	0	110.3	Y334 D338	Y334-L340 WeakPolarHBondContact CB-O 3.44Å; Y334-L340 HydrophobicContact CD1-CB 4.24Å; D338-L340 VanDerWaalsContact OD1-CB 3.26Å; D338-L340 WeakPolarHBondContact OD1-CB 3.34Å; D338-L340 PolarHBondContact OD1-N 2.58Å; D338-L340 WeakPolarHBondContact OD2-CD1 3.45Å
341	K	89.5	Confident	90.6	Very high	200 Å²	200	66.5 Å²	66.5	87%	0.87	36%	0.359	S	S	*	.			trans	-111.3	144.7	172.4	-64.1	-179.6	-179	176.6	0	108.4
342	Y	88.7	Confident	90.5	Very high	63 Å²	63	62.9 Å²	62.9	25%	0.247	34%	0.335	C	S	.	.			trans	-133.8	129.6	179.8	-165.3	-95.8	0	0	0	110.6	Y334 Y344 S349 M353	Y334-Y342 HydrophobicContact CD1-CG 4.38Å; Y334-Y342 HydrophobicContact CD2-CG 4.27Å; Y334-Y342 AromaticContact CE1-CD2 3.89Å; Y334-Y342 HydrophobicContact CE1-CD2 3.89Å; Y334-Y342 HydrophobicContact CE1-CG 4.02Å; Y334-Y342 HydrophobicContact CE2-CD1 4.26Å; Y334-Y342 HydrophobicContact CE2-CD2 4.42Å; Y334-Y342 AromaticContact CE2-CG 3.92Å; Y334-Y342 HydrophobicContact CE2-CG 3.92Å; Y334-Y342 HydrophobicContact CG-CG 4.49Å; Y334-Y342 AromaticContact CZ-CD2 3.83Å; Y334-Y342 AromaticContact CZ-CG 3.78Å; Y342-Y344 AromaticContact CD1-CD1 3.61Å; Y342-Y344 HydrophobicContact CD1-CD1 3.61Å; Y342-Y344 HydrophobicContact CD1-CE1 4.04Å; Y342-Y344 HydrophobicContact CD1-CG 4.13Å; Y342-Y344 HydrophobicContact CE1-CD1 4.31Å; Y342-Y344 WeakPolarHBondContact O-CD2 3.31Å; Y342-Y344 PolarHBondContact O-N 3.2Å; Y342-S349 PolarHBondContact OH-OG 2.93Å; Y342-S349 VanDerWaalsContact OH-OG 3.09Å; Y342-M353 HydrophobicContact CD1-CE 4.15Å; Y342-M353 HydrophobicContact CD1-SD 4.34Å; Y342-M353 HydrophobicContact CE1-CE 3.48Å; Y342-M353 VanDerWaalsContact CE1-CE 3.48Å; Y342-M353 HydrophobicContact CE1-SD 3.99Å; Y342-M353 HydrophobicContact CE2-CE 4.37Å
343	E	89.3	Confident	90.4	Very high	121 Å²	121	62.9 Å²	62.9	57%	0.565	33%	0.334	S	S	*	.			trans	-86.7	83.6	177.8	-169	-175.9	-151.6	0	0	109.8	T345 S346	E343-T345 PolarHBondContact O-N 3.12Å; E343-S346 WeakPolarHBondContact O-CB 3.21Å; E343-S346 PolarHBondContact O-N 3.08Å; E343-S346 VanDerWaalsContact O-N 3.08Å; E343-S346 WeakPolarHBondContact OE2-CB 3.11Å; E343-S346 PolarHBondContact OE2-OG 3.01Å
344	Y	86.9	Confident	90.4	Very high	22 Å²	22	59.1 Å²	59.1	9%	0.086	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.8	-174.5	-55.3	-78	0	0	0	115.4	P322 Y334 Y342 M353 P354	P322-Y344 VanDerWaalsContact CA-CE1 3.43Å; P322-Y344 HydrophobicContact CB-CD1 3.69Å; P322-Y344 HydrophobicContact CB-CE1 3.83Å; P322-Y344 HydrophobicContact CB-CG 4.45Å; P322-Y344 WeakPolarHBondContact O-CD1 3.39Å; P322-Y344 WeakPolarHBondContact O-CD2 3.29Å; Y334-Y344 AromaticContact CD2-CE1 3.67Å; Y334-Y344 HydrophobicContact CD2-CE1 3.67Å; Y334-Y344 AromaticContact CD2-CZ 3.83Å; Y334-Y344 WeakPolarHBondContact CD2-OH 3.49Å; Y334-Y344 AromaticContact CE2-CE1 3.94Å; Y334-Y344 HydrophobicContact CE2-CE1 3.94Å; Y342-Y344 AromaticContact CD1-CD1 3.61Å; Y342-Y344 HydrophobicContact CD1-CD1 3.61Å; Y342-Y344 HydrophobicContact CD1-CE1 4.04Å; Y342-Y344 HydrophobicContact CD1-CG 4.13Å; Y342-Y344 HydrophobicContact CE1-CD1 4.31Å; Y342-Y344 WeakPolarHBondContact O-CD2 3.31Å; Y342-Y344 PolarHBondContact O-N 3.2Å; Y344-M353 HydrophobicContact CD1-SD 4.01Å; Y344-M353 HydrophobicContact CE1-SD 4.28Å; Y344-P354 WeakPolarHBondContact O-CD 3.26Å
345	T	83.7	Confident	90.4	Very high	78 Å²	78	58.9 Å²	58.9	48%	0.479	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	2.2	-177.2	50.5	0	0	0	0	113.8	P75 E343 S347	P75-T345 HydrophobicContact CG-CG2 4Å; E343-T345 PolarHBondContact O-N 3.12Å; T345-S347 PolarHBondContact O-N 3.41Å
346	S	87.1	Confident	90.4	Very high	24 Å²	24	58.8 Å²	58.8	17%	0.168	32%	0.321	C	S	.	.			trans	-62.3	131.3	179.9	-151.9	0	0	0	0	111.2	E343 S348 S349	E343-S346 WeakPolarHBondContact O-CB 3.21Å; E343-S346 PolarHBondContact O-N 3.08Å; E343-S346 VanDerWaalsContact O-N 3.08Å; E343-S346 WeakPolarHBondContact OE2-CB 3.11Å; E343-S346 PolarHBondContact OE2-OG 3.01Å; S346-S348 WeakPolarHBondContact CB-OG 3.45Å; S346-S348 PolarHBondContact O-N 3.32Å; S346-S348 PolarHBondContact OG-OG 2.63Å; S346-S349 WeakPolarHBondContact O-CB 3.38Å; S346-S349 PolarHBondContact O-N 2.9Å
347	S	80.4	Confident	90.3	Very high	120 Å²	120	59.3 Å²	59.3	84%	0.839	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.1	172	56.7	0	0	0	0	112.3	T345 S349	T345-S347 PolarHBondContact O-N 3.41Å; S347-S349 PolarHBondContact O-N 2.81Å
348	S	83.3	Confident	90.4	Very high	92 Å²	92	64.3 Å²	64.3	64%	0.643	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.8	171.8	75	0	0	0	0	112.8	S346	S346-S348 WeakPolarHBondContact CB-OG 3.45Å; S346-S348 PolarHBondContact O-N 3.32Å; S346-S348 PolarHBondContact OG-OG 2.63Å
349	S	85.3	Confident	90.6	Very high	12 Å²	12	63.7 Å²	63.7	8%	0.084	34%	0.34	C	S	.	.			trans	-54.5	136.1	-177.2	178.4	0	0	0	0	111	K296 Y342 S346 S347 H351	K296-S349 PolarHBondContact NZ-O 3.19Å; Y342-S349 PolarHBondContact OH-OG 2.93Å; Y342-S349 VanDerWaalsContact OH-OG 3.09Å; S346-S349 WeakPolarHBondContact O-CB 3.38Å; S346-S349 PolarHBondContact O-N 2.9Å; S347-S349 PolarHBondContact O-N 2.81Å; S349-H351 VanDerWaalsContact C-N 3.26Å; S349-H351 PolarHBondContact OG-N 3.41Å; S349-H351 PolarHBondContact OG-O 2.97Å
350	P	85.8	Confident	90.9	Very high	40 Å²	40	57.8 Å²	57.8	26%	0.26	30%	0.304	S	S	.	.	S	Bend	trans	-70.9	-26.5	169	28.9	-32.9	0	0	0	111.9	R297	R297-P350 VanDerWaalsContact CB-O 3.31Å; R297-P350 WeakPolarHBondContact CB-O 3.49Å; R297-P350 PolarHBondContact N-O 3.09Å; R297-P350 VanDerWaalsContact NH1-CB 3.28Å
351	H	91.8	Very high	91.4	Very high	42 Å²	42	55.4 Å²	55.4	19%	0.194	29%	0.293	C	S	.	.			trans	-110	140.4	-171.8	-59.6	-61.1	0	0	0	112.4	R297 P298 T299 S349 M353	R297-H351 PolarHBondContact O-ND1 3.1Å; P298-H351 PolarHBondContact O-CE1 2.93Å; P298-H351 VanDerWaalsContact O-CE1 3.32Å; P298-H351 PolarHBondContact O-ND1 2.99Å; T299-H351 HydrophobicContact CG2-CB 3.96Å; S349-H351 VanDerWaalsContact C-N 3.26Å; S349-H351 PolarHBondContact OG-N 3.41Å; S349-H351 PolarHBondContact OG-O 2.97Å; H351-M353 HydrophobicContact CB-CE 4.01Å; H351-M353 HydrophobicContact CB-CG 3.78Å; H351-M353 PolarHBondContact O-N 3.42Å
352	T	92.5	Very high	91.8	Very high	43 Å²	43	48.3 Å²	48.3	26%	0.264	27%	0.266	S	S	.	.			trans	-98.3	53.1	174.1	49.2	0	0	0	0	110.6	L355 E356	T352-L355 WeakPolarHBondContact O-CA 2.97Å; T352-L355 VanDerWaalsContact O-CB 3.29Å; T352-L355 WeakPolarHBondContact O-CB 3.34Å; T352-L355 PolarHBondContact O-N 3.35Å; T352-E356 PolarHBondContact O-N 3.41Å; T352-E356 VanDerWaalsContact O-N 3.1Å
353	M	95.3	Very high	92.2	Very high	20 Å²	20	46.2 Å²	46.2	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-53.6	-40.4	-168.7	-49.3	-171.6	-177	0	0	114.5	T299 P322 Y334 Y342 Y344 H351 L355 E356 F357	T299-M353 HydrophobicContact CG2-CE 4.1Å; T299-M353 HydrophobicContact CG2-CG 3.71Å; T299-M353 HydrophobicContact CG2-SD 4.28Å; P322-M353 HydrophobicContact CB-CB 3.51Å; P322-M353 HydrophobicContact CB-SD 4.36Å; P322-M353 HydrophobicContact CG-CB 4.1Å; Y334-M353 HydrophobicContact CE2-CE 4.42Å; Y334-M353 HydrophobicContact CE2-SD 4.41Å; Y342-M353 HydrophobicContact CD1-CE 4.15Å; Y342-M353 HydrophobicContact CD1-SD 4.34Å; Y342-M353 HydrophobicContact CE1-CE 3.48Å; Y342-M353 VanDerWaalsContact CE1-CE 3.48Å; Y342-M353 HydrophobicContact CE1-SD 3.99Å; Y342-M353 HydrophobicContact CE2-CE 4.37Å; Y344-M353 HydrophobicContact CD1-SD 4.01Å; Y344-M353 HydrophobicContact CE1-SD 4.28Å; H351-M353 HydrophobicContact CB-CE 4.01Å; H351-M353 HydrophobicContact CB-CG 3.78Å; H351-M353 PolarHBondContact O-N 3.42Å; M353-L355 VanDerWaalsContact C-N 3.27Å; M353-L355 PolarHBondContact O-N 3.05Å; M353-E356 PolarHBondContact O-N 3.34Å; M353-F357 PolarHBondContact O-N 3.38Å
354	P	95.4	Very high	92.7	Very high	23 Å²	23	42.9 Å²	42.9	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-25	174.5	-24.9	37.2	0	0	0	114.5	F323 Y344 R358	F323-P354 HydrophobicContact CE1-CB 4.01Å; F323-P354 HydrophobicContact CE1-CG 4.37Å; F323-P354 HydrophobicContact CZ-CB 4.38Å; Y344-P354 WeakPolarHBondContact O-CD 3.26Å; P354-R358 VanDerWaalsContact O-CG 3.3Å; P354-R358 WeakPolarHBondContact O-CG 3Å; P354-R358 PolarHBondContact O-N 3.19Å; P354-R358 PolarHBondContact O-NE 3Å
355	L	96.1	Very high	93.2	Very high	46 Å²	46	50.8 Å²	50.8	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-73.7	-46	170.2	179.3	62.8	0	0	0	110.4	V293 T352 M353 F357 R358 T359	V293-L355 HydrophobicContact CG1-CD2 4.23Å; V293-L355 HydrophobicContact CG1-CG 4.12Å; T352-L355 WeakPolarHBondContact O-CA 2.97Å; T352-L355 VanDerWaalsContact O-CB 3.29Å; T352-L355 WeakPolarHBondContact O-CB 3.34Å; T352-L355 PolarHBondContact O-N 3.35Å; M353-L355 VanDerWaalsContact C-N 3.27Å; M353-L355 PolarHBondContact O-N 3.05Å; L355-F357 VanDerWaalsContact C-N 3.34Å; L355-F357 PolarHBondContact O-N 2.96Å; L355-R358 PolarHBondContact O-N 3.09Å; L355-T359 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-OG1 2.85Å; L355-T359 VanDerWaalsContact O-OG1 3.13Å
356	E	97.5	Very high	93.9	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-46.8	177.1	-56.8	-172.3	-173	0	0	111.1	I295 P298 T299 L302 T352 M353 R358 T359 L360	I295-E356 HydrophobicContact CD1-CG 4.1Å; P298-E356 WeakPolarHBondContact CA-OE1 3.23Å; T299-E356 VanDerWaalsContact CB-OE2 3.28Å; T299-E356 WeakPolarHBondContact CB-OE2 3.27Å; T299-E356 WeakPolarHBondContact CG2-OE2 3.34Å; T299-E356 PolarHBondContact N-OE1 3.43Å; T299-E356 PolarHBondContact N-OE2 3.1Å; T299-E356 PolarHBondContact OG1-OE2 3.43Å; L302-E356 WeakPolarHBondContact CB-OE2 3.36Å; L302-E356 HydrophobicContact CD2-CB 4.39Å; L302-E356 HydrophobicContact CD2-CG 3.89Å; T352-E356 PolarHBondContact O-N 3.41Å; T352-E356 VanDerWaalsContact O-N 3.1Å; M353-E356 PolarHBondContact O-N 3.34Å; E356-R358 PolarHBondContact O-N 2.82Å; E356-T359 WeakPolarHBondContact O-CB 3.41Å; E356-T359 PolarHBondContact O-N 3.32Å; E356-L360 VanDerWaalsContact O-CG 3.32Å; E356-L360 WeakPolarHBondContact O-CG 3.47Å; E356-L360 PolarHBondContact O-N 3.4Å
357	F	97.8	Very high	94.4	Very high	13 Å²	13	50.8 Å²	50.8	6%	0.057	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-45.7	175.4	177.5	-91.8	0	0	0	112.9	F320 W321 P322 F323 M353 L355 T359 L360 S361 L371 T373	F320-F357 WeakPolarHBondContact O-CD2 3.48Å; F320-F357 WeakPolarHBondContact O-CE2 3.49Å; W321-F357 AromaticContact CE3-CE2 3.87Å; W321-F357 HydrophobicContact CE3-CE2 3.87Å; W321-F357 AromaticContact CE3-CZ 3.8Å; W321-F357 HydrophobicContact CE3-CZ 3.8Å; W321-F357 HydrophobicContact CZ3-CE2 4.31Å; W321-F357 AromaticContact CZ3-CZ 3.76Å; W321-F357 HydrophobicContact CZ3-CZ 3.76Å; P322-F357 HydrophobicContact CG-CB 3.64Å; P322-F357 HydrophobicContact CG-CG 4.22Å; F323-F357 AromaticContact CE2-CD1 3.49Å; F323-F357 HydrophobicContact CE2-CD1 3.49Å; F323-F357 VanDerWaalsContact CE2-CD1 3.49Å; F323-F357 HydrophobicContact CE2-CD2 4.43Å; F323-F357 AromaticContact CE2-CE1 3.69Å; F323-F357 HydrophobicContact CE2-CE1 3.69Å; F323-F357 AromaticContact CE2-CG 3.9Å; F323-F357 HydrophobicContact CE2-CG 3.9Å; F323-F357 HydrophobicContact CE2-CZ 4.24Å; F323-F357 AromaticContact CZ-CD1 3.77Å; F323-F357 HydrophobicContact CZ-CD1 3.77Å; F323-F357 HydrophobicContact CZ-CE1 4.26Å; F323-F357 HydrophobicContact CZ-CG 4.3Å; M353-F357 PolarHBondContact O-N 3.38Å; L355-F357 VanDerWaalsContact C-N 3.34Å; L355-F357 PolarHBondContact O-N 2.96Å; F357-T359 VanDerWaalsContact C-N 3.26Å; F357-T359 PolarHBondContact O-N 3.35Å; F357-L360 PolarHBondContact O-N 3.38Å; F357-S361 VanDerWaalsContact CE1-OG 3.29Å; F357-S361 WeakPolarHBondContact CE1-OG 3.46Å; F357-S361 VanDerWaalsContact CZ-OG 3.31Å; F357-S361 WeakPolarHBondContact CZ-OG 3.43Å; F357-S361 VanDerWaalsContact O-CB 3.27Å; F357-S361 WeakPolarHBondContact O-CB 3.14Å; F357-S361 PolarHBondContact O-N 3.23Å; F357-S361 PolarHBondContact O-OG 2.78Å; F357-S361 VanDerWaalsContact O-OG 3.07Å; F357-L371 HydrophobicContact CD2-CD2 4.38Å; F357-L371 HydrophobicContact CE2-CD2 3.88Å; F357-L371 HydrophobicContact CZ-CD2 4.37Å; F357-T373 HydrophobicContact CE2-CG2 4.13Å; F357-T373 HydrophobicContact CZ-CG2 4.38Å
358	R	97.4	Very high	95.2	Very high	150 Å²	150	45.2 Å²	45.2	57%	0.566	23%	0.228	S	C	*	.	H	α-helix	trans	-62.4	-34.5	177.8	-76.1	-177.9	-62.9	174.6	5.8	112.3	P354 L355 E356 T362	P354-R358 VanDerWaalsContact O-CG 3.3Å; P354-R358 WeakPolarHBondContact O-CG 3Å; P354-R358 PolarHBondContact O-N 3.19Å; P354-R358 PolarHBondContact O-NE 3Å; L355-R358 PolarHBondContact O-N 3.09Å; E356-R358 PolarHBondContact O-N 2.82Å; R358-T362 WeakPolarHBondContact O-CB 3.38Å; R358-T362 PolarHBondContact O-N 3.38Å; R358-T362 VanDerWaalsContact O-N 3.13Å; R358-T362 PolarHBondContact O-OG1 2.72Å
359	T	98.1	Very high	96	Very high	22 Å²	22	40.8 Å²	40.8	14%	0.135	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-51.6	173.1	-61.1	0	0	0	0	111	W288 V293 L355 E356 F357 S361 T362 L363	W288-T359 HydrophobicContact CE3-CG2 4.11Å; W288-T359 HydrophobicContact CH2-CG2 4.17Å; W288-T359 HydrophobicContact CZ3-CG2 3.47Å; W288-T359 VanDerWaalsContact CZ3-CG2 3.47Å; V293-T359 HydrophobicContact CG1-CG2 4.3Å; V293-T359 WeakPolarHBondContact CG1-OG1 3.43Å; V293-T359 HydrophobicContact CG2-CG2 3.93Å; L355-T359 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-OG1 2.85Å; L355-T359 VanDerWaalsContact O-OG1 3.13Å; E356-T359 WeakPolarHBondContact O-CB 3.41Å; E356-T359 PolarHBondContact O-N 3.32Å; F357-T359 VanDerWaalsContact C-N 3.26Å; F357-T359 PolarHBondContact O-N 3.35Å; T359-S361 PolarHBondContact O-N 3.19Å; T359-T362 WeakPolarHBondContact O-CB 3.39Å; T359-T362 PolarHBondContact O-N 3.26Å; T359-L363 PolarHBondContact O-N 2.88Å
360	L	98.4	Very high	96.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-40.2	178.8	-65.2	171	0	0	0	112.3	L302 Y305 L317 F320 E356 F357 T362 L363 H364 L369	L302-L360 HydrophobicContact CD1-CD1 4.38Å; L302-L360 HydrophobicContact CD1-CD2 3.95Å; L302-L360 HydrophobicContact CD1-CG 4.29Å; Y305-L360 HydrophobicContact CD1-CD2 4.01Å; Y305-L360 HydrophobicContact CE1-CD2 4.26Å; Y305-L360 HydrophobicContact CG-CD2 4.2Å; L317-L360 HydrophobicContact CD1-CB 4.36Å; L317-L360 HydrophobicContact CD1-CD1 4Å; L317-L360 HydrophobicContact CD1-CD2 3.9Å; L317-L360 HydrophobicContact CD1-CG 4.3Å; F320-L360 HydrophobicContact CD1-CD1 3.58Å; F320-L360 HydrophobicContact CE1-CD1 3.9Å; E356-L360 VanDerWaalsContact O-CG 3.32Å; E356-L360 WeakPolarHBondContact O-CG 3.47Å; E356-L360 PolarHBondContact O-N 3.4Å; F357-L360 PolarHBondContact O-N 3.38Å; L360-T362 PolarHBondContact O-N 3.12Å; L360-L363 PolarHBondContact O-N 2.73Å; L360-H364 WeakPolarHBondContact O-CB 3.25Å; L360-H364 PolarHBondContact O-N 2.87Å; L360-L369 HydrophobicContact CD2-CD2 3.78Å
361	S	98.1	Very high	97.2	Very high	24 Å²	24	41.8 Å²	41.8	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-22.4	173.2	-67.8	0	0	0	0	113.6	F357 T359 R365 L371	F357-S361 VanDerWaalsContact CE1-OG 3.29Å; F357-S361 WeakPolarHBondContact CE1-OG 3.46Å; F357-S361 VanDerWaalsContact CZ-OG 3.31Å; F357-S361 WeakPolarHBondContact CZ-OG 3.43Å; F357-S361 VanDerWaalsContact O-CB 3.27Å; F357-S361 WeakPolarHBondContact O-CB 3.14Å; F357-S361 PolarHBondContact O-N 3.23Å; F357-S361 PolarHBondContact O-OG 2.78Å; F357-S361 VanDerWaalsContact O-OG 3.07Å; T359-S361 PolarHBondContact O-N 3.19Å; S361-R365 WeakPolarHBondContact O-CG 3.43Å; S361-R365 PolarHBondContact O-N 3.25Å; S361-R365 PolarHBondContact O-NE 3.15Å; S361-L371 WeakPolarHBondContact OG-CD2 3.32Å
362	T	98.2	Very high	97.4	Very high	50 Å²	50	40.9 Å²	40.9	31%	0.307	19%	0.19	S	C	.	.	H	α-helix	trans	-80.4	-43.2	172.7	-60.2	0	0	0	0	110.8	R358 T359 L360 H364 R365 Q366	R358-T362 WeakPolarHBondContact O-CB 3.38Å; R358-T362 PolarHBondContact O-N 3.38Å; R358-T362 VanDerWaalsContact O-N 3.13Å; R358-T362 PolarHBondContact O-OG1 2.72Å; T359-T362 WeakPolarHBondContact O-CB 3.39Å; T359-T362 PolarHBondContact O-N 3.26Å; L360-T362 PolarHBondContact O-N 3.12Å; T362-H364 VanDerWaalsContact C-N 3.25Å; T362-H364 PolarHBondContact O-N 3.19Å; T362-R365 PolarHBondContact O-N 2.87Å; T362-R365 PolarHBondContact OG1-NH2 3.35Å; T362-Q366 WeakPolarHBondContact O-CG 3.23Å; T362-Q366 PolarHBondContact O-N 2.74Å; T362-Q366 VanDerWaalsContact O-N 3.15Å
363	L	98.4	Very high	97.5	Very high	20 Å²	20	41 Å²	41	11%	0.105	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-36.2	171.1	-66.3	176	0	0	0	112.1	I101 W288 Y305 T359 L360 Q366 G367 A368 L369	I101-L363 HydrophobicContact CD1-CD2 3.82Å; W288-L363 HydrophobicContact CH2-CD1 3.99Å; W288-L363 HydrophobicContact CZ3-CD1 4.45Å; Y305-L363 HydrophobicContact CE1-CD1 4.18Å; T359-L363 PolarHBondContact O-N 2.88Å; L360-L363 PolarHBondContact O-N 2.73Å; L363-Q366 PolarHBondContact O-N 2.99Å; L363-G367 PolarHBondContact O-N 2.8Å; L363-A368 HydrophobicContact CB-CB 4.15Å; L363-A368 HydrophobicContact CD2-CB 4.22Å; L363-A368 WeakPolarHBondContact O-CB 3.39Å; L363-A368 PolarHBondContact O-N 3.29Å; L363-L369 HydrophobicContact CB-CD2 3.66Å; L363-L369 HydrophobicContact CB-CG 3.94Å; L363-L369 HydrophobicContact CD1-CD2 4Å
364	H	98.3	Very high	97.2	Very high	51 Å²	51	42 Å²	42	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-52.5	173.2	172.9	55.5	0	0	0	112.5	W91 L360 T362 Q366 G367 L369 L371	W91-H364 AromaticContact CD1-CE1 3.15Å; W91-H364 AromaticContact CD1-ND1 3.23Å; W91-H364 VanDerWaalsContact CD1-O 3.26Å; W91-H364 AromaticContact CG-CE1 3.73Å; W91-H364 AromaticContact NE1-CE1 3.73Å; W91-H364 AromaticContact NE1-ND1 3.31Å; W91-H364 PolarHBondContact NE1-ND1 3.37Å; W91-H364 PolarHBondContact NE1-O 3.15Å; W91-H364 VanDerWaalsContact NE1-O 3.09Å; L360-H364 WeakPolarHBondContact O-CB 3.25Å; L360-H364 PolarHBondContact O-N 2.87Å; T362-H364 VanDerWaalsContact C-N 3.25Å; T362-H364 PolarHBondContact O-N 3.19Å; H364-Q366 PolarHBondContact O-N 2.94Å; H364-G367 PolarHBondContact O-N 3.13Å; H364-L369 WeakPolarHBondContact CA-O 3.3Å; H364-L369 HydrophobicContact CB-CD1 3.95Å; H364-L371 HydrophobicContact CB-CB 3.84Å; H364-L371 PolarHBondContact ND1-N 3.43Å
365	R	97.9	Very high	97.1	Very high	187 Å²	187	45.2 Å²	45.2	71%	0.706	23%	0.23	S	C	*	.	H	α-helix	trans	-61.6	-23	177.6	-71.4	179.5	-64.1	150.8	1.9	113.7	S361 T362	S361-R365 WeakPolarHBondContact O-CG 3.43Å; S361-R365 PolarHBondContact O-N 3.25Å; S361-R365 PolarHBondContact O-NE 3.15Å; T362-R365 PolarHBondContact O-N 2.87Å; T362-R365 PolarHBondContact OG1-NH2 3.35Å
366	Q	97.9	Very high	96.9	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.2	176.1	-66	172.2	-25.6	0	0	113.7	N94 L97 T362 L363 H364 A368	N94-Q366 VanDerWaalsContact CB-O 3.24Å; N94-Q366 WeakPolarHBondContact CB-O 3.35Å; N94-Q366 PolarHBondContact ND2-O 3.22Å; N94-Q366 VanDerWaalsContact ND2-O 3.11Å; L97-Q366 HydrophobicContact CD2-CB 3.53Å; L97-Q366 HydrophobicContact CD2-CG 4.47Å; T362-Q366 WeakPolarHBondContact O-CG 3.23Å; T362-Q366 PolarHBondContact O-N 2.74Å; T362-Q366 VanDerWaalsContact O-N 3.15Å; L363-Q366 PolarHBondContact O-N 2.99Å; H364-Q366 PolarHBondContact O-N 2.94Å; Q366-A368 VanDerWaalsContact C-N 3.32Å; Q366-A368 PolarHBondContact O-N 3.29Å
367	G	98.1	Very high	96.1	Very high	4 Å²	4	47.6 Å²	47.6	4%	0.041	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.5	-178.5	0	0	0	0	0	115.1	A92 F93 N94 L363 H364 L369	A92-G367 VanDerWaalsContact O-CA 3.32Å; A92-G367 WeakPolarHBondContact O-CA 3.48Å; F93-G367 WeakPolarHBondContact CD2-O 3.44Å; N94-G367 PolarHBondContact N-O 3.32Å; L363-G367 PolarHBondContact O-N 2.8Å; H364-G367 PolarHBondContact O-N 3.13Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 3.39Å
368	A	98.4	Very high	94.2	Very high	3 Å²	3	53 Å²	53	3%	0.025	27%	0.272	C	S	.	.	S	Bend	trans	-73.5	-25.8	-176.3	0	0	0	0	0	113.8	L97 I101 L363 Q366	L97-A368 HydrophobicContact CD2-CB 3.88Å; L97-A368 HydrophobicContact CG-CB 4Å; I101-A368 HydrophobicContact CD1-CB 3.63Å; L363-A368 HydrophobicContact CB-CB 4.15Å; L363-A368 HydrophobicContact CD2-CB 4.22Å; L363-A368 WeakPolarHBondContact O-CB 3.39Å; L363-A368 PolarHBondContact O-N 3.29Å; Q366-A368 VanDerWaalsContact C-N 3.32Å; Q366-A368 PolarHBondContact O-N 3.29Å
369	L	98.5	Very high	91.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-150	162.3	175	64.5	84	0	0	0	108.9	W91 Y305 I315 L317 L360 L363 H364 G367 L371	W91-L369 VanDerWaalsContact CZ2-C 3.45Å; W91-L369 WeakPolarHBondContact CZ2-O 3.37Å; W91-L369 PolarHBondContact NE1-O 3.07Å; Y305-L369 HydrophobicContact CD2-CD2 4.13Å; Y305-L369 HydrophobicContact CE1-CD2 4.43Å; Y305-L369 HydrophobicContact CE2-CB 4.1Å; Y305-L369 HydrophobicContact CE2-CD2 3.46Å; Y305-L369 VanDerWaalsContact CE2-CD2 3.46Å; Y305-L369 HydrophobicContact CE2-CG 4.43Å; I315-L369 WeakPolarHBondContact O-CA 3.49Å; L317-L369 HydrophobicContact CD1-CD1 3.83Å; L317-L369 HydrophobicContact CD1-CD2 3.98Å; L317-L369 HydrophobicContact CD1-CG 4.49Å; L317-L369 HydrophobicContact CG-CD1 4.2Å; L360-L369 HydrophobicContact CD2-CD2 3.78Å; L363-L369 HydrophobicContact CB-CD2 3.66Å; L363-L369 HydrophobicContact CB-CG 3.94Å; L363-L369 HydrophobicContact CD1-CD2 4Å; H364-L369 WeakPolarHBondContact CA-O 3.3Å; H364-L369 HydrophobicContact CB-CD1 3.95Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 3.39Å; L369-L371 HydrophobicContact CD1-CB 3.89Å
370	R	98.5	Very high	89.1	Confident	62 Å²	62	61.4 Å²	61.4	23%	0.234	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.8	168.1	-165.1	169.2	170.4	176.9	-11.7	109.5	W91 I315 H316 L317 H372	W91-R370 HydrophobicContact CD2-CB 4.21Å; W91-R370 HydrophobicContact CD2-CG 4Å; W91-R370 HydrophobicContact CE3-CB 4.34Å; W91-R370 HydrophobicContact CE3-CG 4.12Å; W91-R370 HydrophobicContact CG-CG 4.49Å; W91-R370 HydrophobicContact CH2-CB 3.87Å; W91-R370 HydrophobicContact CZ2-CB 3.75Å; W91-R370 HydrophobicContact CZ2-CG 4.45Å; W91-R370 HydrophobicContact CZ3-CB 4.16Å; W91-R370 HydrophobicContact CZ3-CG 4.37Å; I315-R370 PolarHBondContact O-N 2.96Å; H316-R370 CarbonylContact C-O 3.54Å; H316-R370 WeakPolarHBondContact CA-O 3.16Å; L317-R370 PolarHBondContact N-O 3.11Å; R370-H372 PolarHBondContact NE-CE1 3.14Å
371	L	98.2	Very high	88.6	Confident	11 Å²	11	64.4 Å²	64.4	6%	0.058	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.2	178.2	177.1	62	0	0	0	108.6	L317 F320 F357 S361 H364 L369 T373	L317-L371 HydrophobicContact CB-CD1 3.8Å; L317-L371 HydrophobicContact CD1-CD1 4.34Å; F320-L371 HydrophobicContact CB-CD1 3.75Å; F357-L371 HydrophobicContact CD2-CD2 4.38Å; F357-L371 HydrophobicContact CE2-CD2 3.88Å; F357-L371 HydrophobicContact CZ-CD2 4.37Å; S361-L371 WeakPolarHBondContact OG-CD2 3.32Å; H364-L371 HydrophobicContact CB-CB 3.84Å; H364-L371 PolarHBondContact ND1-N 3.43Å; L369-L371 HydrophobicContact CD1-CB 3.89Å; L371-T373 HydrophobicContact CD1-CG2 4.46Å; L371-T373 HydrophobicContact CD2-CG2 4.41Å; L371-T373 HydrophobicContact CG-CG2 4Å
372	H	96.9	Very high	88.2	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.102	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.1	-178.8	-62.8	-90.8	0	0	0	110.3	E179 H316 L317 Y318 R370	E179-H372 IonicContact OE1-CE1 3.82Å; E179-H372 PolarHBondContact OE1-CE1 3.29Å; E179-H372 IonicContact OE1-NE2 3.18Å; E179-H372 PolarHBondContact OE1-NE2 3.45Å; E179-H372 IonicContact OE2-CE1 3.05Å; H316-H372 AromaticContact CE1-NE2 3.99Å; H316-H372 AromaticContact CG-NE2 3.75Å; H316-H372 AromaticContact ND1-NE2 3.21Å; H316-H372 PolarHBondContact ND1-NE2 3.13Å; L317-H372 PolarHBondContact O-N 2.62Å; Y318-H372 HydrophobicContact CD1-CB 3.76Å; Y318-H372 AromaticContact CD1-CD2 3.72Å; Y318-H372 AromaticContact CD1-CG 3.9Å; Y318-H372 HydrophobicContact CE1-CB 3.95Å; Y318-H372 AromaticContact CE1-CD2 3.19Å; Y318-H372 WeakPolarHBondContact CE1-CD2 3.42Å; Y318-H372 AromaticContact CE1-CE1 3.92Å; Y318-H372 AromaticContact CE1-CG 3.56Å; Y318-H372 AromaticContact CE1-NE2 3.47Å; Y318-H372 WeakPolarHBondContact CE1-NE2 3.39Å; Y318-H372 AromaticContact CE2-CD2 3.99Å; Y318-H372 AromaticContact CZ-CD2 3.34Å; Y318-H372 AromaticContact CZ-NE2 3.35Å; Y318-H372 VanDerWaalsContact CZ-NE2 3.35Å; Y318-H372 PolarHBondContact OH-NE2 3.08Å; R370-H372 PolarHBondContact NE-CE1 3.14Å
373	T	93.1	Very high	87.6	Confident	45 Å²	45	67.4 Å²	67.4	28%	0.276	34%	0.339	S	S	.	.			trans	-131	21.5	-177.8	66.4	0	0	0	0	112.5	W321 F357 L371	W321-T373 HydrophobicContact CE3-CG2 3.91Å; W321-T373 HydrophobicContact CZ3-CG2 4.22Å; F357-T373 HydrophobicContact CE2-CG2 4.13Å; F357-T373 HydrophobicContact CZ-CG2 4.38Å; L371-T373 HydrophobicContact CD1-CG2 4.46Å; L371-T373 HydrophobicContact CD2-CG2 4.41Å; L371-T373 HydrophobicContact CG-CG2 4Å
374	G	90.3	Very high	87	Confident	43 Å²	43	70.2 Å²	70.2	44%	0.443	35%	0.352	S	S	.	.	S	Bend	trans	-152.3	-171.3	179.6	0	0	0	0	0	110.1
375	S	92.6	Very high	86.2	Confident	90 Å²	90	71.4 Å²	71.4	63%	0.629	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-65.5	150.7	175.5	-51.9	0	0	0	0	112	S174	S174-S375 CarbonylContact O-C 3.5Å; S174-S375 WeakPolarHBondContact O-CA 3.45Å; S174-S375 WeakPolarHBondContact O-CB 3.47Å
376	C	93.4	Very high	85.5	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.081	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-94.1	140.2	170.2	-62.9	0	0	0	0	109.7	S174 C176 E179	S174-C376 PolarHBondContact O-N 2.89Å; C176-C376 VanDerWaalsContact CA-SG 3.52Å; C176-C376 HydrophobicContact CB-CB 3.92Å; C176-C376 WeakPolarHBondContact CB-SG 3.42Å; C176-C376 WeakPolarHBondContact SG-CB 3.39Å; C176-C376 PolarHBondContact SG-N 3.26Å; C176-C376 VanDerWaalsContact SG-N 3.38Å; C176-C376 CovalentContact SG-SG 2.04Å; C176-C376 PolarHBondContact SG-SG 3.05Å; E179-C376 HydrophobicContact CB-CB 4.38Å; E179-C376 PolarHBondContact OE2-SG 2.89Å
377	D	80.1	Confident	84.6	Confident	91 Å²	91	61.2 Å²	61.2	49%	0.487	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-76.6	135	174.8	-58.2	-40.2	0	0	0	108.8	D379 R380	D377-D379 PolarHBondContact O-N 3.28Å; D377-R380 IonicContact OD2-NE 3.62Å; D377-R380 IonicContact OD2-NH2 3.59Å
378	L	57.3	Low	83.5	Confident	125 Å²	125	65.6 Å²	65.6	65%	0.654	35%	0.35	S	S	*	.	S	Bend	trans	-75.3	-13.3	177.7	-68.6	171.5	0	0	0	113.3	P178	P178-L378 HydrophobicContact CG-CD2 4.16Å
379	D	43.3	Very low	82.3	Confident	155 Å²	155	70.8 Å²	70.8	83%	0.829	38%	0.377	S	S	*	.			trans	-114.4	52.8	-166.1	-57.5	-46.6	0	0	0	113.3	D377	D377-D379 PolarHBondContact O-N 3.28Å
380	R	45.7	Very low	80.8	Confident	194 Å²	194	77.3 Å²	77.3	73%	0.732	41%	0.411	S	S	*	.			trans	-135.8	0	173.1	-73.2	-161.2	-162	-149.5	6.1	114.9	S88 N89 D377	S88-R380 PolarHBondContact O-NH1 2.69Å; S88-R380 PolarHBondContact O-NH2 2.71Å; S88-R380 PolarHBondContact OG-NH2 3.18Å; N89-R380 VanDerWaalsContact OD1-CZ 3.26Å; N89-R380 PolarHBondContact OD1-NH1 3.21Å; N89-R380 PolarHBondContact OD1-NH2 2.67Å; D377-R380 IonicContact OD2-NE 3.62Å; D377-R380 IonicContact OD2-NH2 3.59Å

Retrieved 380 of 380 residues in 337 ms (Link to these results)

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