A0A077Z1C7_TRITR Loading...

Protein arginine N-methyltransferase 5

AlphaFold DB , UniProt , Accession A0A077Z1C7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 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	73.3	Confident	84.6	Confident	227 Å²	227	94.5 Å²	94.5	100%	1.118	54%	0.544	S	S	*	.				0	-53.7	0	-69.7	-157.7	-59.2	0	0	109.8
2	C	81.7	Confident	85.4	Confident	79 Å²	79	89 Å²	89	53%	0.534	51%	0.51	S	S	.	.			trans	-106.8	22.1	176.8	-45.5	0	0	0	0	113.3	Q4 S5 I8	C2-Q4 PolarHBondContact O-N 3.38Å; C2-S5 PolarHBondContact O-N 3.07Å; C2-I8 HydrophobicContact CB-CD1 3.28Å
3	D	75.7	Confident	86.1	Confident	151 Å²	151	91.5 Å²	91.5	81%	0.807	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	37.7	178.2	-58.2	-17.3	0	0	0	115.4	S5	D3-S5 PolarHBondContact O-N 3.29Å
4	Q	78.1	Confident	86.7	Confident	101 Å²	101	85.6 Å²	85.6	47%	0.472	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	36	-177.9	-64.1	-178.3	-32.9	0	0	113.3	C2 L6 T290	C2-Q4 PolarHBondContact O-N 3.38Å; Q4-L6 PolarHBondContact O-N 2.91Å; Q4-T290 HydrophobicContact CB-CG2 4.44Å; Q4-T290 WeakPolarHBondContact O-CG2 3Å
5	S	83.2	Confident	87.1	Confident	47 Å²	47	82.1 Å²	82.1	33%	0.329	47%	0.472	S	S	.	.			trans	-50.1	132.5	179.7	-175.1	0	0	0	0	113.2	C2 D3 S7 I8	C2-S5 PolarHBondContact O-N 3.07Å; D3-S5 PolarHBondContact O-N 3.29Å; S5-S7 PolarHBondContact O-N 3.2Å; S5-S7 VanDerWaalsContact O-N 3.12Å; S5-S7 PolarHBondContact OG-N 3.18Å; S5-S7 PolarHBondContact OG-OG 2.88Å; S5-I8 PolarHBondContact O-N 3.3Å
6	L	83.4	Confident	87.4	Confident	78 Å²	78	82.7 Å²	82.7	41%	0.408	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.7	172.5	-70.1	171.7	0	0	0	113.2	Q4 I8 M32 T290 Q291	Q4-L6 PolarHBondContact O-N 2.91Å; L6-I8 VanDerWaalsContact C-N 3.28Å; L6-M32 HydrophobicContact CD2-SD 4.12Å; L6-T290 HydrophobicContact CD1-CG2 4.46Å; L6-T290 HydrophobicContact CD2-CG2 3.43Å; L6-T290 VanDerWaalsContact CD2-CG2 3.43Å; L6-T290 HydrophobicContact CG-CG2 3.52Å; L6-Q291 HydrophobicContact CD1-CG 4.32Å; L6-Q291 HydrophobicContact CD2-CG 4.11Å
7	S	87.3	Confident	87.7	Confident	102 Å²	102	86.2 Å²	86.2	71%	0.713	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.2	176.2	66.8	0	0	0	0	114	S5	S5-S7 PolarHBondContact O-N 3.2Å; S5-S7 VanDerWaalsContact O-N 3.12Å; S5-S7 PolarHBondContact OG-N 3.18Å; S5-S7 PolarHBondContact OG-OG 2.88Å
8	I	89.9	Confident	87.9	Confident	83 Å²	83	83.7 Å²	83.7	43%	0.426	47%	0.474	S	S	.	.			trans	-116	113.8	-179.1	-59.4	173.7	0	0	0	108.5	C2 S5 L6	C2-I8 HydrophobicContact CB-CD1 3.28Å; S5-I8 PolarHBondContact O-N 3.3Å; L6-I8 VanDerWaalsContact C-N 3.28Å
9	S	90.7	Very high	87.9	Confident	58 Å²	58	82.3 Å²	82.3	41%	0.406	47%	0.469	S	S	.	.			trans	-118.8	159.5	175.1	-54.7	0	0	0	0	110.7	M32	S9-M32 CarbonylContact C-O 3.59Å; S9-M32 WeakPolarHBondContact CA-O 3.13Å; S9-M32 WeakPolarHBondContact CB-O 3.37Å
10	A	92.4	Very high	87.9	Confident	34 Å²	34	87 Å²	87	28%	0.281	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.4	176.3	0	0	0	0	0	111.5	M32 L33 D34	A10-M32 PolarHBondContact N-O 3.1Å; A10-L33 HydrophobicContact CB-CD2 4.02Å; A10-D34 PolarHBondContact O-N 2.93Å; A10-D34 VanDerWaalsContact O-N 3.07Å
11	V	95	Very high	87.8	Confident	80 Å²	80	85.6 Å²	85.6	49%	0.485	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.9	165	-179	0	0	0	0	107.4	A35 F73	V11-A35 WeakPolarHBondContact CA-O 3.42Å; V11-A35 HydrophobicContact CG1-CB 4.07Å; V11-A35 HydrophobicContact CG2-CB 4.07Å; V11-F73 HydrophobicContact CG1-CD2 4.28Å
12	L	94.5	Very high	88.4	Confident	28 Å²	28	78.3 Å²	78.3	15%	0.147	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.2	-177.3	-172.3	63.1	0	0	0	110.2	W28 A35 V36 Y37 I65	L12-W28 HydrophobicContact CD1-CD2 4.15Å; L12-W28 HydrophobicContact CD1-CG 4.26Å; L12-W28 HydrophobicContact CD2-CB 4.45Å; L12-A35 PolarHBondContact N-O 3.2Å; L12-V36 CarbonylContact O-C 3.52Å; L12-V36 WeakPolarHBondContact O-CA 3.48Å; L12-Y37 PolarHBondContact O-N 2.88Å; L12-I65 HydrophobicContact CD2-CD1 3.68Å; L12-I65 HydrophobicContact CD2-CG1 4.34Å; L12-I65 HydrophobicContact CD2-CG2 4.49Å
13	E	94.9	Very high	88.7	Confident	122 Å²	122	78.1 Å²	78.1	57%	0.57	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.1	171.8	176	168.2	-167.4	0	0	110.3	Y37	E13-Y37 WeakPolarHBondContact CA-O 3.3Å; E13-Y37 HydrophobicContact CB-CD1 3.88Å; E13-Y37 HydrophobicContact CG-CD1 3.67Å; E13-Y37 HydrophobicContact CG-CE1 3.96Å
14	I	93.4	Very high	89.5	Confident	8 Å²	8	73.9 Å²	73.9	4%	0.041	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110.8	173.6	-60.4	174.2	0	0	0	108.1	L18 V36 Y37 M38 L61 L62 I65	I14-L18 HydrophobicContact CG2-CD2 4.05Å; I14-V36 HydrophobicContact CD1-CB 4.5Å; I14-V36 HydrophobicContact CD1-CG1 3.35Å; I14-V36 HydrophobicContact CD1-CG2 4.31Å; I14-V36 HydrophobicContact CG1-CG1 3.84Å; I14-Y37 PolarHBondContact N-O 2.81Å; I14-M38 HydrophobicContact CB-CG 3.83Å; I14-M38 HydrophobicContact CB-SD 4.46Å; I14-M38 HydrophobicContact CD1-CG 4.3Å; I14-M38 HydrophobicContact CD1-SD 4.13Å; I14-M38 HydrophobicContact CG1-CG 4.45Å; I14-L61 HydrophobicContact CB-CD2 4.44Å; I14-L61 HydrophobicContact CD1-CD2 3.75Å; I14-L61 HydrophobicContact CG1-CD2 3.95Å; I14-L61 HydrophobicContact CG2-CD2 3.65Å; I14-L62 HydrophobicContact CD1-CD2 3.52Å; I14-L62 HydrophobicContact CD1-CG 4.42Å; I14-I65 HydrophobicContact CD1-CD1 4.06Å
15	G	93	Very high	90.1	Very high	33 Å²	33	69.3 Å²	69.3	34%	0.34	39%	0.393	S	S	.	.			trans	-81.5	175.3	176.9	0	0	0	0	0	113.4	H58	G15-H58 PolarHBondContact O-NE2 2.69Å; G15-H58 VanDerWaalsContact O-NE2 3.13Å
16	L	91.9	Very high	90.5	Very high	92 Å²	92	69.3 Å²	69.3	48%	0.482	39%	0.389	S	S	.	.	S	Bend	trans	-64.1	-39.6	176.9	-179.7	65.6	0	0	0	112.7	N41 H58	L16-N41 WeakPolarHBondContact CD1-O 3.37Å; L16-H58 PolarHBondContact O-CE1 2.84Å
17	D	92	Very high	91.1	Very high	143 Å²	143	67.8 Å²	67.8	77%	0.765	38%	0.378	S	S	*	.	S	Bend	trans	-102.2	127.2	178.8	-61.4	-61.8	0	0	0	109.4
18	L	91.7	Very high	91.4	Very high	40 Å²	40	67.3 Å²	67.3	21%	0.209	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-92.8	152.3	-179.3	-60.9	-172.9	0	0	0	110.8	I14 A57 L61	I14-L18 HydrophobicContact CG2-CD2 4.05Å; L18-A57 HydrophobicContact CD1-CB 3.85Å; L18-L61 HydrophobicContact CD1-CB 4.25Å; L18-L61 HydrophobicContact CD1-CD2 4.28Å; L18-L61 HydrophobicContact CD2-CD2 3.75Å
19	P	89	Confident	91.5	Very high	57 Å²	57	63.5 Å²	63.5	37%	0.37	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-65.2	141.5	178.1	27.1	-34.7	0	0	0	111.7	N21 I24 V25	P19-N21 VanDerWaalsContact C-N 3.32Å; P19-N21 PolarHBondContact O-N 2.69Å; P19-I24 HydrophobicContact CB-CD1 4.44Å; P19-V25 HydrophobicContact CG-CG2 4.44Å
20	D	86.7	Confident	91.7	Very high	177 Å²	177	60.8 Å²	60.8	95%	0.947	32%	0.322	S	S	*	.	S	Bend	trans	-62.8	-38.4	176.2	-64.7	-36.8	0	0	0	112.3
21	N	86.5	Confident	91.7	Very high	58 Å²	58	61.5 Å²	61.5	31%	0.31	32%	0.32	S	S	.	.			trans	-91.7	104.2	176.8	-172.9	1.4	0	0	0	111.1	P19 E23 I24 I352	P19-N21 VanDerWaalsContact C-N 3.32Å; P19-N21 PolarHBondContact O-N 2.69Å; N21-E23 PolarHBondContact ND2-OE2 3.5Å; N21-E23 PolarHBondContact O-N 3.43Å; N21-E23 VanDerWaalsContact OD1-CB 3.27Å; N21-E23 WeakPolarHBondContact OD1-CB 3.45Å; N21-E23 WeakPolarHBondContact OD1-CG 3.27Å; N21-E23 PolarHBondContact OD1-N 3.08Å; N21-I24 HydrophobicContact CB-CD1 4.22Å; N21-I24 HydrophobicContact CB-CG1 4.34Å; N21-I24 WeakPolarHBondContact O-CB 3.23Å; N21-I24 WeakPolarHBondContact O-CG1 3.35Å; N21-I24 PolarHBondContact O-N 3.04Å; N21-I352 WeakPolarHBondContact ND2-CG2 3.05Å
22	F	85.5	Confident	91.6	Very high	74 Å²	74	59.1 Å²	59.1	33%	0.325	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18	178.8	-139.7	-99.7	0	0	0	113.9	I24 V25 D26 L61 K64	F22-I24 PolarHBondContact O-N 2.57Å; F22-I24 VanDerWaalsContact O-N 3.13Å; F22-V25 HydrophobicContact CD1-CB 4.17Å; F22-V25 HydrophobicContact CD1-CG2 4.12Å; F22-V25 HydrophobicContact CD2-CG2 4.12Å; F22-V25 HydrophobicContact CE1-CB 4.25Å; F22-V25 HydrophobicContact CE1-CG1 4.31Å; F22-V25 HydrophobicContact CE1-CG2 4.23Å; F22-V25 HydrophobicContact CE2-CG2 4.21Å; F22-V25 HydrophobicContact CG-CG2 4.1Å; F22-V25 HydrophobicContact CZ-CG2 4.29Å; F22-V25 WeakPolarHBondContact O-CA 3.4Å; F22-V25 WeakPolarHBondContact O-CB 3.25Å; F22-V25 WeakPolarHBondContact O-CG2 3.1Å; F22-V25 PolarHBondContact O-N 3.02Å; F22-D26 PolarHBondContact O-N 2.89Å; F22-L61 HydrophobicContact CE2-CB 4.28Å; F22-L61 HydrophobicContact CE2-CD1 3.96Å; F22-L61 HydrophobicContact CZ-CB 3.98Å; F22-L61 HydrophobicContact CZ-CD1 3.91Å; F22-K64 HydrophobicContact CE1-CD 4.38Å
23	E	89.1	Confident	91.5	Very high	75 Å²	75	58.5 Å²	58.5	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-22.9	172.8	-63.4	177.2	149.2	0	0	112.3	N21 V25 D26 R27 I352	N21-E23 PolarHBondContact ND2-OE2 3.5Å; N21-E23 PolarHBondContact O-N 3.43Å; N21-E23 VanDerWaalsContact OD1-CB 3.27Å; N21-E23 WeakPolarHBondContact OD1-CB 3.45Å; N21-E23 WeakPolarHBondContact OD1-CG 3.27Å; N21-E23 PolarHBondContact OD1-N 3.08Å; E23-V25 PolarHBondContact O-N 3.37Å; E23-D26 PolarHBondContact O-N 3.43Å; E23-R27 PolarHBondContact O-N 2.8Å; E23-I352 HydrophobicContact CB-CD1 4.12Å; E23-I352 HydrophobicContact CB-CG2 4.3Å; E23-I352 WeakPolarHBondContact OE2-CG2 3.4Å
24	I	91.5	Very high	91.3	Very high	62 Å²	62	56.2 Å²	56.2	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-34.1	173.2	-63.9	174.7	0	0	0	110.7	P19 N21 F22 R27 W28	P19-I24 HydrophobicContact CB-CD1 4.44Å; N21-I24 HydrophobicContact CB-CD1 4.22Å; N21-I24 HydrophobicContact CB-CG1 4.34Å; N21-I24 WeakPolarHBondContact O-CB 3.23Å; N21-I24 WeakPolarHBondContact O-CG1 3.35Å; N21-I24 PolarHBondContact O-N 3.04Å; F22-I24 PolarHBondContact O-N 2.57Å; F22-I24 VanDerWaalsContact O-N 3.13Å; I24-R27 PolarHBondContact O-N 3.43Å; I24-W28 PolarHBondContact O-N 3.49Å; I24-W28 VanDerWaalsContact O-N 3.16Å
25	V	91.3	Very high	91.3	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-47.6	176.6	-174.9	0	0	0	0	109.1	P19 F22 E23 R27 W28 C29 L61 K64 I65	P19-V25 HydrophobicContact CG-CG2 4.44Å; F22-V25 HydrophobicContact CD1-CB 4.17Å; F22-V25 HydrophobicContact CD1-CG2 4.12Å; F22-V25 HydrophobicContact CD2-CG2 4.12Å; F22-V25 HydrophobicContact CE1-CB 4.25Å; F22-V25 HydrophobicContact CE1-CG1 4.31Å; F22-V25 HydrophobicContact CE1-CG2 4.23Å; F22-V25 HydrophobicContact CE2-CG2 4.21Å; F22-V25 HydrophobicContact CG-CG2 4.1Å; F22-V25 HydrophobicContact CZ-CG2 4.29Å; F22-V25 WeakPolarHBondContact O-CA 3.4Å; F22-V25 WeakPolarHBondContact O-CB 3.25Å; F22-V25 WeakPolarHBondContact O-CG2 3.1Å; F22-V25 PolarHBondContact O-N 3.02Å; E23-V25 PolarHBondContact O-N 3.37Å; V25-R27 VanDerWaalsContact C-N 3.25Å; V25-R27 PolarHBondContact O-N 3.07Å; V25-W28 WeakPolarHBondContact O-CA 3.31Å; V25-W28 WeakPolarHBondContact O-CB 3.4Å; V25-W28 PolarHBondContact O-N 3.09Å; V25-C29 PolarHBondContact O-N 3.07Å; V25-C29 PolarHBondContact O-SG 3.03Å; V25-C29 VanDerWaalsContact O-SG 3.36Å; V25-L61 HydrophobicContact CB-CD1 4.19Å; V25-L61 HydrophobicContact CG1-CD1 3.71Å; V25-L61 HydrophobicContact CG2-CD1 3.37Å; V25-K64 HydrophobicContact CG1-CD 4.36Å; V25-I65 HydrophobicContact CG1-CD1 4.26Å; V25-I65 HydrophobicContact CG1-CG1 4.05Å
26	D	91.5	Very high	91.4	Very high	47 Å²	47	54.3 Å²	54.3	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-39.8	177.9	-62.3	22.7	0	0	0	111.4	F22 E23 W28 C29 G30 K64 F319	F22-D26 PolarHBondContact O-N 2.89Å; E23-D26 PolarHBondContact O-N 3.43Å; D26-W28 VanDerWaalsContact C-N 3.34Å; D26-W28 PolarHBondContact O-N 3.1Å; D26-C29 WeakPolarHBondContact O-CB 3.3Å; D26-C29 PolarHBondContact O-N 3.27Å; D26-G30 PolarHBondContact O-N 3.12Å; D26-K64 WeakPolarHBondContact OD1-CE 3.45Å; D26-K64 IonicContact OD1-NZ 3.75Å; D26-K64 PolarHBondContact OD1-NZ 2.82Å; D26-K64 IonicContact OD2-NZ 2.63Å; D26-K64 PolarHBondContact OD2-NZ 2.86Å; D26-F319 VanDerWaalsContact C-CD2 3.44Å; D26-F319 HydrophobicContact CB-CD2 3.7Å; D26-F319 HydrophobicContact CB-CE2 3.8Å; D26-F319 WeakPolarHBondContact O-CD2 3.19Å
27	R	95	Very high	91.6	Very high	46 Å²	46	52.8 Å²	52.8	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-43.5	173.8	-171	-162.6	56.5	68.9	5.5	111.8	E23 I24 V25 C29 G30 E31 F319 I352 D353 C354	E23-R27 PolarHBondContact O-N 2.8Å; I24-R27 PolarHBondContact O-N 3.43Å; V25-R27 VanDerWaalsContact C-N 3.25Å; V25-R27 PolarHBondContact O-N 3.07Å; R27-C29 VanDerWaalsContact C-N 3.32Å; R27-G30 PolarHBondContact O-N 2.93Å; R27-E31 IonicContact NH1-OE1 2.96Å; R27-F319 HydrophobicContact CB-CD1 4.34Å; R27-F319 HydrophobicContact CB-CD2 4.4Å; R27-F319 HydrophobicContact CB-CE1 4.43Å; R27-F319 HydrophobicContact CB-CE2 4.49Å; R27-F319 HydrophobicContact CB-CG 4.33Å; R27-F319 HydrophobicContact CG-CD1 4.25Å; R27-F319 HydrophobicContact CG-CE1 4.44Å; R27-I352 HydrophobicContact CB-CD1 3.92Å; R27-I352 HydrophobicContact CG-CD1 4.34Å; R27-D353 WeakPolarHBondContact CD-O 3.37Å; R27-C354 HydrophobicContact CG-CB 4.42Å
28	W	94	Very high	91.6	Very high	92 Å²	92	46 Å²	46	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-66.1	-32.6	176	-80.7	118.7	0	0	0	112.7	L12 I24 V25 D26 G30 E31 L33	L12-W28 HydrophobicContact CD1-CD2 4.15Å; L12-W28 HydrophobicContact CD1-CG 4.26Å; L12-W28 HydrophobicContact CD2-CB 4.45Å; I24-W28 PolarHBondContact O-N 3.49Å; I24-W28 VanDerWaalsContact O-N 3.16Å; V25-W28 WeakPolarHBondContact O-CA 3.31Å; V25-W28 WeakPolarHBondContact O-CB 3.4Å; V25-W28 PolarHBondContact O-N 3.09Å; D26-W28 VanDerWaalsContact C-N 3.34Å; D26-W28 PolarHBondContact O-N 3.1Å; W28-G30 PolarHBondContact O-N 2.91Å; W28-E31 HydrophobicContact CE3-CB 4.34Å; W28-E31 HydrophobicContact CE3-CG 3.82Å; W28-E31 HydrophobicContact CZ3-CG 4.23Å; W28-E31 WeakPolarHBondContact O-CB 3.5Å; W28-E31 PolarHBondContact O-N 2.76Å; W28-L33 HydrophobicContact CE3-CD2 4.47Å; W28-L33 WeakPolarHBondContact O-CD1 3.29Å
29	C	92.4	Very high	91.6	Very high	3 Å²	3	47 Å²	47	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-19.9	173.4	-65.2	0	0	0	0	113.2	V25 D26 R27 E31 S317 H318	V25-C29 PolarHBondContact O-N 3.07Å; V25-C29 PolarHBondContact O-SG 3.03Å; V25-C29 VanDerWaalsContact O-SG 3.36Å; D26-C29 WeakPolarHBondContact O-CB 3.3Å; D26-C29 PolarHBondContact O-N 3.27Å; R27-C29 VanDerWaalsContact C-N 3.32Å; C29-E31 VanDerWaalsContact C-N 3.35Å; C29-S317 CarbonylContact O-C 3.54Å; C29-S317 VanDerWaalsContact O-CA 3.3Å; C29-S317 WeakPolarHBondContact O-CA 3.2Å; C29-H318 PolarHBondContact O-N 3.25Å
30	G	94.1	Very high	91.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.4	173.2	0	0	0	0	0	115.8	D26 R27 W28 H284 A286	D26-G30 PolarHBondContact O-N 3.12Å; R27-G30 PolarHBondContact O-N 2.93Å; W28-G30 PolarHBondContact O-N 2.91Å; G30-H284 PolarHBondContact O-CD2 3.46Å; G30-A286 PolarHBondContact O-N 3.26Å
31	E	93.3	Very high	91.6	Very high	50 Å²	50	41.2 Å²	41.2	23%	0.234	20%	0.195	C	C	.	.	S	Bend	trans	-88.4	169.2	178.2	-57.4	-69	172.6	0	0	111.2	R27 W28 C29 L33 H284	R27-E31 IonicContact NH1-OE1 2.96Å; W28-E31 HydrophobicContact CE3-CB 4.34Å; W28-E31 HydrophobicContact CE3-CG 3.82Å; W28-E31 HydrophobicContact CZ3-CG 4.23Å; W28-E31 WeakPolarHBondContact O-CB 3.5Å; W28-E31 PolarHBondContact O-N 2.76Å; C29-E31 VanDerWaalsContact C-N 3.35Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 HydrophobicContact CB-CD2 4.38Å; E31-L33 PolarHBondContact O-N 2.99Å; E31-H284 IonicContact OE1-NE2 2.96Å; E31-H284 IonicContact OE2-NE2 3.02Å
32	M	91.7	Very high	91.8	Very high	30 Å²	30	38.6 Å²	38.6	15%	0.148	18%	0.181	C	C	.	.			trans	-77.8	82.3	172	-65.6	-177	-70.2	0	0	109.8	L6 S9 A10 A286 K287	L6-M32 HydrophobicContact CD2-SD 4.12Å; S9-M32 CarbonylContact C-O 3.59Å; S9-M32 WeakPolarHBondContact CA-O 3.13Å; S9-M32 WeakPolarHBondContact CB-O 3.37Å; A10-M32 PolarHBondContact N-O 3.1Å; M32-A286 HydrophobicContact CG-CB 4.36Å; M32-K287 HydrophobicContact CG-CB 3.96Å; M32-K287 HydrophobicContact CG-CG 4.48Å
33	L	92.3	Very high	92	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.073	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.9	174.2	-57.1	-176.8	0	0	0	110.4	A10 W28 E31 I65 V69	A10-L33 HydrophobicContact CB-CD2 4.02Å; W28-L33 HydrophobicContact CE3-CD2 4.47Å; W28-L33 WeakPolarHBondContact O-CD1 3.29Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 HydrophobicContact CB-CD2 4.38Å; E31-L33 PolarHBondContact O-N 2.99Å; L33-I65 HydrophobicContact CD1-CG2 4.45Å; L33-V69 HydrophobicContact CB-CG1 3.71Å
34	D	90.8	Very high	91.7	Very high	75 Å²	75	36.9 Å²	36.9	40%	0.401	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-32.1	177.9	-161.2	45.3	0	0	0	112	A10 D70 H71	A10-D34 PolarHBondContact O-N 2.93Å; A10-D34 VanDerWaalsContact O-N 3.07Å; D34-D70 PolarHBondContact O-N 2.71Å; D34-H71 PolarHBondContact O-N 2.87Å
35	A	94.5	Very high	90.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	163.4	179.7	0	0	0	0	0	113.1	V11 L12 H71 F73	V11-A35 WeakPolarHBondContact CA-O 3.42Å; V11-A35 HydrophobicContact CG1-CB 4.07Å; V11-A35 HydrophobicContact CG2-CB 4.07Å; L12-A35 PolarHBondContact N-O 3.2Å; A35-H71 CarbonylContact C-O 3.53Å; A35-H71 WeakPolarHBondContact CA-O 3.3Å; A35-H71 HydrophobicContact CB-CB 3.78Å; A35-H71 WeakPolarHBondContact CB-O 3.38Å; A35-F73 HydrophobicContact CB-CD2 3.7Å; A35-F73 HydrophobicContact CB-CE2 3.41Å; A35-F73 VanDerWaalsContact CB-CE2 3.41Å; A35-F73 HydrophobicContact CB-CZ 4.5Å
36	V	94.9	Very high	89.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142	165.1	165.5	0	0	0	0	109.1	L12 I14 M38 I65 V69 H71 V72 F73	L12-V36 CarbonylContact O-C 3.52Å; L12-V36 WeakPolarHBondContact O-CA 3.48Å; I14-V36 HydrophobicContact CD1-CB 4.5Å; I14-V36 HydrophobicContact CD1-CG1 3.35Å; I14-V36 HydrophobicContact CD1-CG2 4.31Å; I14-V36 HydrophobicContact CG1-CG1 3.84Å; V36-M38 HydrophobicContact CG1-CE 3.86Å; V36-M38 HydrophobicContact CG1-CG 3.89Å; V36-M38 HydrophobicContact CG1-SD 4.18Å; V36-I65 HydrophobicContact CG2-CB 4.38Å; V36-I65 HydrophobicContact CG2-CG2 3.3Å; V36-V69 HydrophobicContact CG2-CG1 4.37Å; V36-V69 HydrophobicContact CG2-CG2 3.91Å; V36-H71 PolarHBondContact N-O 3.12Å; V36-V72 CarbonylContact O-C 3.56Å; V36-V72 WeakPolarHBondContact O-CA 3.43Å; V36-F73 PolarHBondContact O-N 3.14Å
37	Y	95.4	Very high	87.7	Confident	60 Å²	60	43 Å²	43	24%	0.235	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.3	171.3	165.2	-95.8	0	0	0	110.2	L12 E13 I14 K39 F73 E75	L12-Y37 PolarHBondContact O-N 2.88Å; E13-Y37 WeakPolarHBondContact CA-O 3.3Å; E13-Y37 HydrophobicContact CB-CD1 3.88Å; E13-Y37 HydrophobicContact CG-CD1 3.67Å; E13-Y37 HydrophobicContact CG-CE1 3.96Å; I14-Y37 PolarHBondContact N-O 2.81Å; Y37-K39 HydrophobicContact CE1-CG 4.46Å; Y37-K39 WeakPolarHBondContact OH-CE 3.26Å; Y37-F73 WeakPolarHBondContact CA-O 3.25Å; Y37-F73 HydrophobicContact CD2-CB 4.04Å; Y37-E75 HydrophobicContact CE2-CB 3.91Å; Y37-E75 PolarHBondContact OH-OE2 2.88Å
38	M	92.9	Very high	85.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.4	-175.5	-78.2	-179.1	-69.6	0	0	111.4	I14 V36 I42 L62 V72 F73 M74 E75 I93	I14-M38 HydrophobicContact CB-CG 3.83Å; I14-M38 HydrophobicContact CB-SD 4.46Å; I14-M38 HydrophobicContact CD1-CG 4.3Å; I14-M38 HydrophobicContact CD1-SD 4.13Å; I14-M38 HydrophobicContact CG1-CG 4.45Å; V36-M38 HydrophobicContact CG1-CE 3.86Å; V36-M38 HydrophobicContact CG1-CG 3.89Å; V36-M38 HydrophobicContact CG1-SD 4.18Å; M38-I42 HydrophobicContact CB-CD1 3.9Å; M38-I42 HydrophobicContact CG-CD1 3.7Å; M38-I42 HydrophobicContact SD-CD1 3.26Å; M38-I42 WeakPolarHBondContact SD-CD1 3.4Å; M38-L62 HydrophobicContact CE-CD2 3.89Å; M38-L62 HydrophobicContact SD-CD1 4.28Å; M38-L62 HydrophobicContact SD-CD2 3.68Å; M38-V72 HydrophobicContact CE-CG1 3.21Å; M38-F73 PolarHBondContact N-O 2.76Å; M38-M74 HydrophobicContact CB-SD 3.9Å; M38-M74 WeakPolarHBondContact O-CA 3.31Å; M38-E75 PolarHBondContact O-N 2.83Å; M38-I93 HydrophobicContact CE-CD1 3.6Å; M38-I93 HydrophobicContact CE-CG1 4.04Å
39	K	91.5	Very high	84.4	Confident	61 Å²	61	51.6 Å²	51.6	27%	0.265	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	152.5	169.7	-64.3	-172.6	-177.6	-154.2	0	110.7	Y37 N41 I42 E75	Y37-K39 HydrophobicContact CE1-CG 4.46Å; Y37-K39 WeakPolarHBondContact OH-CE 3.26Å; K39-N41 VanDerWaalsContact CB-OD1 3.26Å; K39-N41 WeakPolarHBondContact CB-OD1 3.46Å; K39-N41 PolarHBondContact O-N 2.88Å; K39-N41 VanDerWaalsContact O-N 3.11Å; K39-N41 PolarHBondContact O-OD1 3.3Å; K39-I42 WeakPolarHBondContact O-CG1 3.49Å; K39-I42 PolarHBondContact O-N 3.15Å; K39-E75 CarbonylContact C-O 3.58Å; K39-E75 WeakPolarHBondContact CA-O 3.22Å; K39-E75 WeakPolarHBondContact CE-OE2 3.2Å; K39-E75 HydrophobicContact CG-CB 4.3Å; K39-E75 IonicContact NZ-OE2 3.52Å
40	N	88.2	Confident	83.3	Confident	26 Å²	26	54.3 Å²	54.3	14%	0.139	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.5	-15.2	179	65.5	-40.2	0	0	0	115	I42 F43 M74 E75 E77 Y89	N40-I42 PolarHBondContact O-N 3.45Å; N40-F43 PolarHBondContact O-N 3.3Å; N40-M74 HydrophobicContact CB-CE 3.69Å; N40-M74 VanDerWaalsContact N-CE 3.31Å; N40-E75 PolarHBondContact N-O 3.44Å; N40-E75 PolarHBondContact OD1-O 3Å; N40-E77 PolarHBondContact ND2-O 2.97Å; N40-E77 PolarHBondContact OD1-N 3.44Å; N40-Y89 HydrophobicContact CB-CD1 4.44Å; N40-Y89 HydrophobicContact CB-CE1 4.04Å; N40-Y89 HydrophobicContact CB-CE2 4.14Å
41	N	88.4	Confident	82.4	Confident	87 Å²	87	57.8 Å²	57.8	47%	0.465	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-68	-16.2	176.4	67.3	-9.3	0	0	0	114.4	L16 K39 F43	L16-N41 WeakPolarHBondContact CD1-O 3.37Å; K39-N41 VanDerWaalsContact CB-OD1 3.26Å; K39-N41 WeakPolarHBondContact CB-OD1 3.46Å; K39-N41 PolarHBondContact O-N 2.88Å; K39-N41 VanDerWaalsContact O-N 3.11Å; K39-N41 PolarHBondContact O-OD1 3.3Å; N41-F43 PolarHBondContact O-N 3.49Å
42	I	90.3	Very high	81.9	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.015	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-70.5	-17.9	175.3	74.1	176.8	0	0	0	112.4	M38 K39 N40	M38-I42 HydrophobicContact CB-CD1 3.9Å; M38-I42 HydrophobicContact CG-CD1 3.7Å; M38-I42 HydrophobicContact SD-CD1 3.26Å; M38-I42 WeakPolarHBondContact SD-CD1 3.4Å; K39-I42 WeakPolarHBondContact O-CG1 3.49Å; K39-I42 PolarHBondContact O-N 3.15Å; N40-I42 PolarHBondContact O-N 3.45Å
43	F	88.2	Confident	81.6	Confident	12 Å²	12	58.3 Å²	58.3	5%	0.053	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.3	-178.4	-67.5	-95.5	0	0	0	110.6	N40 N41 P52 L53 V54 M74 Y89 A92 I93	N40-F43 PolarHBondContact O-N 3.3Å; N41-F43 PolarHBondContact O-N 3.49Å; F43-P52 HydrophobicContact CB-CB 3.89Å; F43-P52 HydrophobicContact CD1-CB 3.67Å; F43-P52 HydrophobicContact CD1-CG 4.38Å; F43-P52 HydrophobicContact CG-CB 3.99Å; F43-L53 CarbonylContact C-O 3.54Å; F43-L53 WeakPolarHBondContact CA-O 3.36Å; F43-V54 HydrophobicContact CD1-CG1 3.79Å; F43-V54 HydrophobicContact CE1-CG1 3.53Å; F43-V54 HydrophobicContact CZ-CG1 4.05Å; F43-M74 HydrophobicContact CD2-CE 3.85Å; F43-M74 HydrophobicContact CE2-CE 3.33Å; F43-M74 HydrophobicContact CE2-SD 4.09Å; F43-M74 HydrophobicContact CZ-CE 4.31Å; F43-Y89 HydrophobicContact CB-CD1 4.16Å; F43-Y89 HydrophobicContact CB-CE1 3.99Å; F43-Y89 HydrophobicContact CD1-CD1 4.02Å; F43-Y89 AromaticContact CD2-CD1 3.54Å; F43-Y89 HydrophobicContact CD2-CD1 3.54Å; F43-Y89 HydrophobicContact CD2-CE1 4.05Å; F43-Y89 HydrophobicContact CD2-CG 4.5Å; F43-Y89 HydrophobicContact CE1-CD1 4.28Å; F43-Y89 AromaticContact CE2-CD1 3.89Å; F43-Y89 HydrophobicContact CE2-CD1 3.89Å; F43-Y89 HydrophobicContact CE2-CG 4.48Å; F43-Y89 AromaticContact CG-CD1 3.62Å; F43-Y89 HydrophobicContact CG-CD1 3.62Å; F43-Y89 AromaticContact CG-CE1 3.98Å; F43-Y89 HydrophobicContact CG-CE1 3.98Å; F43-Y89 HydrophobicContact CZ-CD1 4.22Å; F43-A92 HydrophobicContact CD1-CB 4.4Å; F43-A92 HydrophobicContact CE1-CB 3.73Å; F43-I93 HydrophobicContact CZ-CD1 3.97Å; F43-I93 HydrophobicContact CZ-CG1 3.79Å
44	L	84.1	Confident	81.3	Confident	100 Å²	100	58.4 Å²	58.4	52%	0.524	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.5	174.5	-56	176.2	0	0	0	109.6	L53	L44-L53 PolarHBondContact N-O 3.26Å; L44-L53 PolarHBondContact O-N 2.97Å
45	T	71.2	Confident	81.4	Confident	137 Å²	137	56.5 Å²	56.5	84%	0.84	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-89.5	123.9	170.9	54.3	0	0	0	0	109.6
46	G	61.8	Low	81.2	Confident	79 Å²	79	61.7 Å²	61.7	81%	0.814	36%	0.363	S	S	*	.			trans	146.2	11.9	174.5	0	0	0	0	0	117.3
47	S	56.6	Low	81	Confident	26 Å²	26	64.1 Å²	64.1	18%	0.182	38%	0.383	C	S	.	.			trans	-70.7	144.5	174.1	71.3	0	0	0	0	110.9	S49 G50 Q51	S47-S49 PolarHBondContact O-N 3.29Å; S47-S49 PolarHBondContact OG-OG 2.94Å; S47-G50 PolarHBondContact O-N 3.36Å; S47-G50 PolarHBondContact OG-N 3.43Å; S47-Q51 PolarHBondContact OG-N 3.48Å; S47-Q51 VanDerWaalsContact OG-N 3.09Å; S47-Q51 PolarHBondContact OG-O 2.79Å
48	K	56.5	Low	80.9	Confident	232 Å²	232	61.7 Å²	61.7	100%	1.009	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.6	175.2	-74.4	-177.4	177.3	179.9	0	113.2
49	S	64.5	Low	80.8	Confident	88 Å²	88	66.7 Å²	66.7	62%	0.615	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.2	-179.5	56.2	0	0	0	0	114.3	S47 Q51	S47-S49 PolarHBondContact O-N 3.29Å; S47-S49 PolarHBondContact OG-OG 2.94Å; S49-Q51 PolarHBondContact O-N 3.12Å
50	G	68.1	Low	80.8	Confident	59 Å²	59	67.9 Å²	67.9	61%	0.608	40%	0.402	S	S	*	.			trans	70.7	4.8	-176.5	0	0	0	0	0	115	S47	S47-G50 PolarHBondContact O-N 3.36Å; S47-G50 PolarHBondContact OG-N 3.43Å
51	Q	75.9	Confident	80.9	Confident	73 Å²	73	67 Å²	67	34%	0.341	40%	0.397	S	S	.	.			trans	-82.4	137.2	176.1	-66.4	-65.3	-30.3	0	0	110.6	S47 S49	S47-Q51 PolarHBondContact OG-N 3.48Å; S47-Q51 VanDerWaalsContact OG-N 3.09Å; S47-Q51 PolarHBondContact OG-O 2.79Å; S49-Q51 PolarHBondContact O-N 3.12Å
52	P	82	Confident	81.1	Confident	15 Å²	15	62.9 Å²	62.9	10%	0.097	38%	0.375	C	S	.	.			trans	-65.9	133.9	177.2	29	-34.3	0	0	0	110.2	F43 V88 Y89 A92	F43-P52 HydrophobicContact CB-CB 3.89Å; F43-P52 HydrophobicContact CD1-CB 3.67Å; F43-P52 HydrophobicContact CD1-CG 4.38Å; F43-P52 HydrophobicContact CG-CB 3.99Å; P52-V88 HydrophobicContact CG-CB 4.02Å; P52-V88 HydrophobicContact CG-CG2 4Å; P52-Y89 HydrophobicContact CB-CD1 3.65Å; P52-Y89 HydrophobicContact CB-CE1 3.62Å; P52-Y89 HydrophobicContact CG-CD1 3.72Å; P52-Y89 HydrophobicContact CG-CE1 4.02Å; P52-Y89 HydrophobicContact CG-CG 4.37Å; P52-A92 HydrophobicContact CG-CB 4.18Å; P52-A92 WeakPolarHBondContact O-CB 3.42Å
53	L	84.7	Confident	81	Confident	77 Å²	77	63.2 Å²	63.2	40%	0.403	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.3	-179	-66.6	176.5	0	0	0	110.6	F43 L44	F43-L53 CarbonylContact C-O 3.54Å; F43-L53 WeakPolarHBondContact CA-O 3.36Å; L44-L53 PolarHBondContact N-O 3.26Å; L44-L53 PolarHBondContact O-N 2.97Å
54	V	88.1	Confident	81	Confident	16 Å²	16	66 Å²	66	10%	0.097	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146.5	167.6	-69.9	0	0	0	0	110.1	F43 H58 R59 L62 V96	F43-V54 HydrophobicContact CD1-CG1 3.79Å; F43-V54 HydrophobicContact CE1-CG1 3.53Å; F43-V54 HydrophobicContact CZ-CG1 4.05Å; V54-H58 HydrophobicContact CB-CB 4.08Å; V54-R59 HydrophobicContact CG2-CB 3.96Å; V54-L62 HydrophobicContact CG1-CD1 4.27Å; V54-V96 HydrophobicContact CG2-CG2 3.88Å
55	S	90.9	Very high	81.3	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	37%	0.367	C	S	.	.			trans	-63.2	160.7	172.3	81.8	0	0	0	0	110.8	A57 H58 R59	S55-A57 PolarHBondContact O-N 2.85Å; S55-H58 PolarHBondContact O-N 3.02Å; S55-H58 PolarHBondContact OG-N 3.45Å; S55-H58 PolarHBondContact OG-ND1 2.87Å; S55-R59 WeakPolarHBondContact O-CB 3.44Å; S55-R59 PolarHBondContact O-N 2.98Å
56	V	91	Very high	82.2	Confident	110 Å²	110	55.3 Å²	55.3	67%	0.667	33%	0.329	S	S	*	.	H	α-helix	trans	-58.1	-39.9	177.9	177.2	0	0	0	0	111.3	R59 N60	V56-R59 PolarHBondContact O-N 2.72Å; V56-N60 VanDerWaalsContact O-CG 3.29Å; V56-N60 PolarHBondContact O-N 3.27Å
57	A	91.4	Very high	83.3	Confident	51 Å²	51	53.9 Å²	53.9	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-45.3	178.1	0	0	0	0	0	111.8	L18 S55 N60 L61	L18-A57 HydrophobicContact CD1-CB 3.85Å; S55-A57 PolarHBondContact O-N 2.85Å; A57-N60 PolarHBondContact O-N 2.92Å; A57-L61 WeakPolarHBondContact O-CB 3.33Å; A57-L61 PolarHBondContact O-N 2.87Å
58	H	92.7	Very high	84.9	Confident	9 Å²	9	54 Å²	54	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-41.1	174.2	-74.5	90.2	0	0	0	112.1	G15 L16 V54 S55 N60 L61 L62	G15-H58 PolarHBondContact O-NE2 2.69Å; G15-H58 VanDerWaalsContact O-NE2 3.13Å; L16-H58 PolarHBondContact O-CE1 2.84Å; V54-H58 HydrophobicContact CB-CB 4.08Å; S55-H58 PolarHBondContact O-N 3.02Å; S55-H58 PolarHBondContact OG-N 3.45Å; S55-H58 PolarHBondContact OG-ND1 2.87Å; H58-N60 VanDerWaalsContact C-N 3.31Å; H58-N60 PolarHBondContact O-N 2.86Å; H58-L61 PolarHBondContact O-N 3.44Å; H58-L62 VanDerWaalsContact O-CB 3.27Å; H58-L62 WeakPolarHBondContact O-CB 3.33Å; H58-L62 VanDerWaalsContact O-CG 3.22Å; H58-L62 WeakPolarHBondContact O-CG 3.34Å; H58-L62 PolarHBondContact O-N 3.24Å
59	R	91.8	Very high	86.4	Confident	105 Å²	105	43.2 Å²	43.2	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-42.9	177.1	-176.2	177.7	-83.1	-175.7	-7.8	111.5	V54 S55 V56 G63 V96 F100	V54-R59 HydrophobicContact CG2-CB 3.96Å; S55-R59 WeakPolarHBondContact O-CB 3.44Å; S55-R59 PolarHBondContact O-N 2.98Å; V56-R59 PolarHBondContact O-N 2.72Å; R59-G63 PolarHBondContact O-N 3.36Å; R59-V96 HydrophobicContact CG-CG1 4.1Å; R59-V96 HydrophobicContact CG-CG2 4.19Å; R59-F100 HydrophobicContact CG-CE2 4.12Å; R59-F100 WeakPolarHBondContact O-CE2 3.45Å
60	N	89.8	Confident	87.3	Confident	86 Å²	86	45 Å²	45	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-67.7	-42.9	178.1	-69	-12	0	0	0	112	V56 A57 H58 G63 K64	V56-N60 VanDerWaalsContact O-CG 3.29Å; V56-N60 PolarHBondContact O-N 3.27Å; A57-N60 PolarHBondContact O-N 2.92Å; H58-N60 VanDerWaalsContact C-N 3.31Å; H58-N60 PolarHBondContact O-N 2.86Å; N60-G63 PolarHBondContact O-N 3.12Å; N60-K64 PolarHBondContact O-N 3.46Å
61	L	92	Very high	88.4	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-50.8	174.6	-177.6	92.2	0	0	0	111.5	I14 L18 F22 V25 A57 H58 G63 K64 I65	I14-L61 HydrophobicContact CB-CD2 4.44Å; I14-L61 HydrophobicContact CD1-CD2 3.75Å; I14-L61 HydrophobicContact CG1-CD2 3.95Å; I14-L61 HydrophobicContact CG2-CD2 3.65Å; L18-L61 HydrophobicContact CD1-CB 4.25Å; L18-L61 HydrophobicContact CD1-CD2 4.28Å; L18-L61 HydrophobicContact CD2-CD2 3.75Å; F22-L61 HydrophobicContact CE2-CB 4.28Å; F22-L61 HydrophobicContact CE2-CD1 3.96Å; F22-L61 HydrophobicContact CZ-CB 3.98Å; F22-L61 HydrophobicContact CZ-CD1 3.91Å; V25-L61 HydrophobicContact CB-CD1 4.19Å; V25-L61 HydrophobicContact CG1-CD1 3.71Å; V25-L61 HydrophobicContact CG2-CD1 3.37Å; A57-L61 WeakPolarHBondContact O-CB 3.33Å; A57-L61 PolarHBondContact O-N 2.87Å; H58-L61 PolarHBondContact O-N 3.44Å; L61-G63 VanDerWaalsContact C-N 3.35Å; L61-G63 PolarHBondContact O-N 2.96Å; L61-K64 PolarHBondContact O-N 2.96Å; L61-I65 HydrophobicContact CD1-CD1 3.99Å; L61-I65 HydrophobicContact CD2-CD1 3.99Å; L61-I65 HydrophobicContact CG-CD1 3.62Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 2.96Å
62	L	91.4	Very high	89.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-43.3	177.8	-73.1	172	0	0	0	111.3	I14 M38 V54 H58 K64 I65 L66 V96	I14-L62 HydrophobicContact CD1-CD2 3.52Å; I14-L62 HydrophobicContact CD1-CG 4.42Å; M38-L62 HydrophobicContact CE-CD2 3.89Å; M38-L62 HydrophobicContact SD-CD1 4.28Å; M38-L62 HydrophobicContact SD-CD2 3.68Å; V54-L62 HydrophobicContact CG1-CD1 4.27Å; H58-L62 VanDerWaalsContact O-CB 3.27Å; H58-L62 WeakPolarHBondContact O-CB 3.33Å; H58-L62 VanDerWaalsContact O-CG 3.22Å; H58-L62 WeakPolarHBondContact O-CG 3.34Å; H58-L62 PolarHBondContact O-N 3.24Å; L62-K64 PolarHBondContact O-N 2.85Å; L62-I65 PolarHBondContact O-N 2.93Å; L62-L66 HydrophobicContact CB-CD1 3.96Å; L62-L66 HydrophobicContact CB-CG 4.36Å; L62-L66 HydrophobicContact CD2-CD1 4.41Å; L62-L66 HydrophobicContact CD2-CG 4.41Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.39Å; L62-V96 HydrophobicContact CB-CG1 3.95Å
63	G	88	Confident	89.7	Confident	11 Å²	11	50.4 Å²	50.4	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-34.4	176.4	0	0	0	0	0	113.5	R59 N60 L61	R59-G63 PolarHBondContact O-N 3.36Å; N60-G63 PolarHBondContact O-N 3.12Å; L61-G63 VanDerWaalsContact C-N 3.35Å; L61-G63 PolarHBondContact O-N 2.96Å
64	K	87.7	Confident	90	Very high	71 Å²	71	49.2 Å²	49.2	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-77.4	-54.7	175.1	-168.4	167.6	-170.8	153.2	0	112.2	F22 V25 D26 N60 L61 L62 L66 D67 H68	F22-K64 HydrophobicContact CE1-CD 4.38Å; V25-K64 HydrophobicContact CG1-CD 4.36Å; D26-K64 WeakPolarHBondContact OD1-CE 3.45Å; D26-K64 IonicContact OD1-NZ 3.75Å; D26-K64 PolarHBondContact OD1-NZ 2.82Å; D26-K64 IonicContact OD2-NZ 2.63Å; D26-K64 PolarHBondContact OD2-NZ 2.86Å; N60-K64 PolarHBondContact O-N 3.46Å; L61-K64 PolarHBondContact O-N 2.96Å; L62-K64 PolarHBondContact O-N 2.85Å; K64-L66 PolarHBondContact O-N 2.94Å; K64-D67 PolarHBondContact O-N 2.77Å; K64-H68 PolarHBondContact O-CD2 2.69Å; K64-H68 VanDerWaalsContact O-CD2 3.23Å
65	I	90.6	Very high	90.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-36.3	-172.6	-62.2	163.6	0	0	0	111.7	L12 I14 V25 L33 V36 L61 L62 D67 H68 V69	L12-I65 HydrophobicContact CD2-CD1 3.68Å; L12-I65 HydrophobicContact CD2-CG1 4.34Å; L12-I65 HydrophobicContact CD2-CG2 4.49Å; I14-I65 HydrophobicContact CD1-CD1 4.06Å; V25-I65 HydrophobicContact CG1-CD1 4.26Å; V25-I65 HydrophobicContact CG1-CG1 4.05Å; L33-I65 HydrophobicContact CD1-CG2 4.45Å; V36-I65 HydrophobicContact CG2-CB 4.38Å; V36-I65 HydrophobicContact CG2-CG2 3.3Å; L61-I65 HydrophobicContact CD1-CD1 3.99Å; L61-I65 HydrophobicContact CD2-CD1 3.99Å; L61-I65 HydrophobicContact CG-CD1 3.62Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 2.96Å; L62-I65 PolarHBondContact O-N 2.93Å; I65-D67 PolarHBondContact O-N 3.24Å; I65-D67 VanDerWaalsContact O-N 3.15Å; I65-H68 WeakPolarHBondContact O-CA 3.34Å; I65-H68 WeakPolarHBondContact O-CB 3.36Å; I65-H68 PolarHBondContact O-N 2.89Å; I65-V69 HydrophobicContact CG2-CG1 4.21Å; I65-V69 HydrophobicContact CG2-CG2 4.34Å; I65-V69 PolarHBondContact O-N 3.4Å
66	L	90.1	Very high	89.8	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.047	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-10.5	-178	-67.5	175.5	0	0	0	114	L62 K64 H68 V69 V72 I93 V96 W97	L62-L66 HydrophobicContact CB-CD1 3.96Å; L62-L66 HydrophobicContact CB-CG 4.36Å; L62-L66 HydrophobicContact CD2-CD1 4.41Å; L62-L66 HydrophobicContact CD2-CG 4.41Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.39Å; K64-L66 PolarHBondContact O-N 2.94Å; L66-H68 VanDerWaalsContact C-N 3.31Å; L66-V69 HydrophobicContact CD2-CG2 4.03Å; L66-V72 HydrophobicContact CD2-CG2 3.49Å; L66-V72 VanDerWaalsContact CD2-CG2 3.49Å; L66-I93 HydrophobicContact CD1-CG2 4.44Å; L66-V96 HydrophobicContact CD1-CG1 4.4Å; L66-W97 HydrophobicContact CD1-CB 4.17Å
67	D	86.5	Confident	89.2	Confident	49 Å²	49	51.9 Å²	51.9	26%	0.262	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.9	167.7	-169	35.1	0	0	0	112.2	K64 I65 R114 H316	K64-D67 PolarHBondContact O-N 2.77Å; I65-D67 PolarHBondContact O-N 3.24Å; I65-D67 VanDerWaalsContact O-N 3.15Å; D67-R114 PolarHBondContact O-NH1 3.27Å; D67-R114 VanDerWaalsContact O-NH1 3.16Å; D67-R114 IonicContact OD1-CZ 3.52Å; D67-R114 IonicContact OD1-NH1 3.59Å; D67-R114 PolarHBondContact OD1-NH1 3Å; D67-R114 IonicContact OD1-NH2 2.69Å; D67-R114 PolarHBondContact OD1-NH2 2.88Å; D67-R114 IonicContact OD2-NH2 3.25Å; D67-H316 PolarHBondContact O-CE1 3.34Å; D67-H316 VanDerWaalsContact O-CE1 3.28Å; D67-H316 PolarHBondContact O-NE2 2.85Å; D67-H316 IonicContact OD1-CE1 3.93Å; D67-H316 IonicContact OD2-CE1 2.75Å; D67-H316 PolarHBondContact OD2-CE1 3.17Å; D67-H316 VanDerWaalsContact OD2-CE1 3.31Å
68	H	88.5	Confident	88.1	Confident	29 Å²	29	53.4 Å²	53.4	13%	0.134	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-5.9	-178.6	-59.8	-79.1	0	0	0	114.4	K64 I65 L66 H316	K64-H68 PolarHBondContact O-CD2 2.69Å; K64-H68 VanDerWaalsContact O-CD2 3.23Å; I65-H68 WeakPolarHBondContact O-CA 3.34Å; I65-H68 WeakPolarHBondContact O-CB 3.36Å; I65-H68 PolarHBondContact O-N 2.89Å; L66-H68 VanDerWaalsContact C-N 3.31Å; H68-H316 PolarHBondContact CE1-O 3.04Å; H68-H316 VanDerWaalsContact CE1-O 3.22Å; H68-H316 AromaticContact ND1-CD2 3.82Å; H68-H316 AromaticContact ND1-CE1 3.91Å; H68-H316 AromaticContact ND1-NE2 3.5Å; H68-H316 PolarHBondContact ND1-NE2 2.85Å
69	V	89.1	Confident	86.7	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.03	30%	0.297	C	S	.	.			trans	-129	149	-179.7	-59.3	0	0	0	0	111.4	L33 V36 I65 L66	L33-V69 HydrophobicContact CB-CG1 3.71Å; V36-V69 HydrophobicContact CG2-CG1 4.37Å; V36-V69 HydrophobicContact CG2-CG2 3.91Å; I65-V69 HydrophobicContact CG2-CG1 4.21Å; I65-V69 HydrophobicContact CG2-CG2 4.34Å; I65-V69 PolarHBondContact O-N 3.4Å; L66-V69 HydrophobicContact CD2-CG2 4.03Å
70	D	83.5	Confident	85	Confident	125 Å²	125	53.3 Å²	53.3	67%	0.668	30%	0.295	S	S	*	.	S	Bend	trans	-99.8	-14.7	177.7	-68.3	-49.9	0	0	0	112.6	D34	D34-D70 PolarHBondContact O-N 2.71Å
71	H	91.5	Very high	83.5	Confident	99 Å²	99	59.9 Å²	59.9	46%	0.458	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.4	-172.4	-59.8	-52.1	0	0	0	113	D34 A35 V36	D34-H71 PolarHBondContact O-N 2.87Å; A35-H71 CarbonylContact C-O 3.53Å; A35-H71 WeakPolarHBondContact CA-O 3.3Å; A35-H71 HydrophobicContact CB-CB 3.78Å; A35-H71 WeakPolarHBondContact CB-O 3.38Å; V36-H71 PolarHBondContact N-O 3.12Å
72	V	92.5	Very high	81.7	Confident	53 Å²	53	68.5 Å²	68.5	32%	0.321	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119	171.8	-178.5	0	0	0	0	109.1	V36 M38 L66 I93	V36-V72 CarbonylContact O-C 3.56Å; V36-V72 WeakPolarHBondContact O-CA 3.43Å; M38-V72 HydrophobicContact CE-CG1 3.21Å; L66-V72 HydrophobicContact CD2-CG2 3.49Å; L66-V72 VanDerWaalsContact CD2-CG2 3.49Å; V72-I93 HydrophobicContact CG1-CD1 4.03Å; V72-I93 HydrophobicContact CG1-CG2 4.32Å; V72-I93 HydrophobicContact CG2-CG2 4.22Å
73	F	93	Very high	80.1	Confident	109 Å²	109	71.9 Å²	71.9	48%	0.478	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.7	173.5	-62.6	-67.7	0	0	0	109.7	V11 A35 V36 Y37 M38	V11-F73 HydrophobicContact CG1-CD2 4.28Å; A35-F73 HydrophobicContact CB-CD2 3.7Å; A35-F73 HydrophobicContact CB-CE2 3.41Å; A35-F73 VanDerWaalsContact CB-CE2 3.41Å; A35-F73 HydrophobicContact CB-CZ 4.5Å; V36-F73 PolarHBondContact O-N 3.14Å; Y37-F73 WeakPolarHBondContact CA-O 3.25Å; Y37-F73 HydrophobicContact CD2-CB 4.04Å; M38-F73 PolarHBondContact N-O 2.76Å
74	M	89.7	Confident	78.6	Confident	53 Å²	53	80.9 Å²	80.9	26%	0.261	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.4	-178.4	-168.5	68.4	-169.4	0	0	110	M38 N40 F43 Y89 I93	M38-M74 HydrophobicContact CB-SD 3.9Å; M38-M74 WeakPolarHBondContact O-CA 3.31Å; N40-M74 HydrophobicContact CB-CE 3.69Å; N40-M74 VanDerWaalsContact N-CE 3.31Å; F43-M74 HydrophobicContact CD2-CE 3.85Å; F43-M74 HydrophobicContact CE2-CE 3.33Å; F43-M74 HydrophobicContact CE2-SD 4.09Å; F43-M74 HydrophobicContact CZ-CE 4.31Å; M74-Y89 HydrophobicContact CE-CD1 4.25Å; M74-Y89 HydrophobicContact CE-CG 4.03Å; M74-I93 HydrophobicContact SD-CD1 3.99Å
75	E	90	Very high	78	Confident	66 Å²	66	81.2 Å²	81.2	31%	0.308	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125	168.9	-177.1	174.2	-141.4	0	0	110	Y37 M38 K39 N40 E77	Y37-E75 HydrophobicContact CE2-CB 3.91Å; Y37-E75 PolarHBondContact OH-OE2 2.88Å; M38-E75 PolarHBondContact O-N 2.83Å; K39-E75 CarbonylContact C-O 3.58Å; K39-E75 WeakPolarHBondContact CA-O 3.22Å; K39-E75 WeakPolarHBondContact CE-OE2 3.2Å; K39-E75 HydrophobicContact CG-CB 4.3Å; K39-E75 IonicContact NZ-OE2 3.52Å; N40-E75 PolarHBondContact N-O 3.44Å; N40-E75 PolarHBondContact OD1-O 3Å; E75-E77 HydrophobicContact CG-CG 4.32Å
76	C	85	Confident	77.4	Confident	33 Å²	33	83.8 Å²	83.8	22%	0.223	43%	0.425	C	S	.	.			trans	-114.2	101	-178.9	-65.7	0	0	0	0	110	L79 C86	C76-L79 HydrophobicContact CB-CD1 3.95Å; C76-L79 HydrophobicContact CB-CD2 4.12Å; C76-L79 HydrophobicContact CB-CG 4.14Å; C76-C86 VanDerWaalsContact SG-SG 3.61Å
77	E	78	Confident	77	Confident	117 Å²	117	85.3 Å²	85.3	55%	0.547	44%	0.436	S	S	.	.			trans	-96.1	146.3	173.8	-69.1	-175.6	173.9	0	0	111.2	N40 E75 L79	N40-E77 PolarHBondContact ND2-O 2.97Å; N40-E77 PolarHBondContact OD1-N 3.44Å; E75-E77 HydrophobicContact CG-CG 4.32Å; E77-L79 PolarHBondContact O-N 3.02Å
78	G	67.8	Low	76.9	Confident	83 Å²	83	83.7 Å²	83.7	86%	0.856	43%	0.428	S	S	*	.	S	Bend	trans	69.1	25.3	167.8	0	0	0	0	0	116.4	S80	G78-S80 PolarHBondContact O-N 3.37Å; G78-S80 VanDerWaalsContact O-N 3.17Å
79	L	63.3	Low	76.9	Confident	59 Å²	59	83.2 Å²	83.2	31%	0.309	43%	0.425	S	S	.	.			trans	-55.1	121.5	177.5	-63.2	167.3	0	0	0	110.7	C76 E77 L83 C86 Y89	C76-L79 HydrophobicContact CB-CD1 3.95Å; C76-L79 HydrophobicContact CB-CD2 4.12Å; C76-L79 HydrophobicContact CB-CG 4.14Å; E77-L79 PolarHBondContact O-N 3.02Å; L79-L83 WeakPolarHBondContact CD2-O 3.41Å; L79-C86 WeakPolarHBondContact CD1-SG 3.39Å; L79-Y89 HydrophobicContact CD2-CE2 3.95Å
80	S	57.9	Low	76.7	Confident	53 Å²	53	85.7 Å²	85.7	37%	0.371	45%	0.446	S	S	.	.			trans	-59.5	154.1	172.7	76.2	0	0	0	0	109.4	G78 E82 L83	G78-S80 PolarHBondContact O-N 3.37Å; G78-S80 VanDerWaalsContact O-N 3.17Å; S80-E82 PolarHBondContact O-N 3.45Å; S80-L83 CarbonylContact O-C 3.59Å; S80-L83 PolarHBondContact O-N 3.28Å; S80-L83 PolarHBondContact OG-N 3Å
81	R	56.7	Low	76.9	Confident	225 Å²	225	84.7 Å²	84.7	85%	0.849	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-22.1	177.6	-86.5	-178	172	-170.8	-2.4	113.2
82	E	54.8	Low	76.8	Confident	188 Å²	188	80.3 Å²	80.3	88%	0.879	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-26.1	179.2	-63.8	172.9	178.4	0	0	113.1	S80	S80-E82 PolarHBondContact O-N 3.45Å
83	L	57	Low	76.7	Confident	71 Å²	71	78.4 Å²	78.4	37%	0.372	40%	0.402	S	S	.	.			trans	-103.5	40.3	180	-75.8	163.2	0	0	0	112.3	L79 S80 D85	L79-L83 WeakPolarHBondContact CD2-O 3.41Å; S80-L83 CarbonylContact O-C 3.59Å; S80-L83 PolarHBondContact O-N 3.28Å; S80-L83 PolarHBondContact OG-N 3Å; L83-D85 PolarHBondContact O-N 3.18Å
84	R	58.5	Low	76.4	Confident	200 Å²	200	78.1 Å²	78.1	76%	0.755	40%	0.402	S	S	*	.			trans	-63.6	-9.8	176.6	-80.1	-170.1	-177.2	-152.4	0	114.4	C86	R84-C86 PolarHBondContact O-N 3.29Å
85	D	73.3	Confident	76.4	Confident	78 Å²	78	81.2 Å²	81.2	42%	0.417	42%	0.416	S	S	.	.			trans	-94.2	91.5	-177.1	-176.5	17.3	0	0	0	111.3	L83 S87 V88 R91	L83-D85 PolarHBondContact O-N 3.18Å; D85-S87 PolarHBondContact O-N 3.12Å; D85-S87 WeakPolarHBondContact OD1-CB 3.49Å; D85-S87 PolarHBondContact OD1-N 3.49Å; D85-S87 PolarHBondContact OD1-OG 3.01Å; D85-S87 PolarHBondContact OD2-OG 3Å; D85-V88 WeakPolarHBondContact O-CG2 3.37Å; D85-V88 PolarHBondContact O-N 2.97Å; D85-R91 IonicContact OD2-CZ 3.92Å; D85-R91 IonicContact OD2-NH1 3.84Å; D85-R91 IonicContact OD2-NH2 3.02Å; D85-R91 PolarHBondContact OD2-NH2 2.76Å
86	C	77.8	Confident	76.3	Confident	56 Å²	56	78.2 Å²	78.2	38%	0.378	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.3	171.8	-65.4	0	0	0	0	113.2	C76 L79 R84 V88 Y89	C76-C86 VanDerWaalsContact SG-SG 3.61Å; L79-C86 WeakPolarHBondContact CD1-SG 3.39Å; R84-C86 PolarHBondContact O-N 3.29Å; C86-V88 PolarHBondContact O-N 2.88Å; C86-V88 VanDerWaalsContact O-N 3.15Å; C86-Y89 PolarHBondContact O-N 2.76Å; C86-Y89 VanDerWaalsContact O-N 3.15Å
87	S	82.9	Confident	76.4	Confident	40 Å²	40	80 Å²	80	28%	0.28	40%	0.404	S	S	.	.	H	α-helix	trans	-66.1	-15.1	-177.8	79	0	0	0	0	113.3	D85 Y89 A90 R91	D85-S87 PolarHBondContact O-N 3.12Å; D85-S87 WeakPolarHBondContact OD1-CB 3.49Å; D85-S87 PolarHBondContact OD1-N 3.49Å; D85-S87 PolarHBondContact OD1-OG 3.01Å; D85-S87 PolarHBondContact OD2-OG 3Å; S87-Y89 VanDerWaalsContact C-N 3.34Å; S87-Y89 PolarHBondContact O-N 2.76Å; S87-A90 PolarHBondContact O-N 2.93Å; S87-R91 WeakPolarHBondContact O-CB 3.23Å; S87-R91 VanDerWaalsContact O-CG 3.31Å; S87-R91 WeakPolarHBondContact O-CG 3.42Å; S87-R91 PolarHBondContact O-N 2.9Å; S87-R91 VanDerWaalsContact OG-CZ 3.26Å; S87-R91 PolarHBondContact OG-NH1 2.85Å; S87-R91 PolarHBondContact OG-NH2 3Å
88	V	84.3	Confident	76.8	Confident	15 Å²	15	77.9 Å²	77.9	9%	0.091	40%	0.396	C	S	.	.	H	α-helix	trans	-60.8	-41.2	171	-63.3	0	0	0	0	112.2	P52 D85 C86 A92	P52-V88 HydrophobicContact CG-CB 4.02Å; P52-V88 HydrophobicContact CG-CG2 4Å; D85-V88 WeakPolarHBondContact O-CG2 3.37Å; D85-V88 PolarHBondContact O-N 2.97Å; C86-V88 PolarHBondContact O-N 2.88Å; C86-V88 VanDerWaalsContact O-N 3.15Å; V88-A92 PolarHBondContact O-N 3.29Å; V88-A92 VanDerWaalsContact O-N 3.08Å
89	Y	87.4	Confident	77.6	Confident	20 Å²	20	80 Å²	80	8%	0.078	38%	0.384	C	S	.	.	H	α-helix	trans	-73.6	-40.3	178.8	-58	-73.9	0	0	0	111.1	N40 F43 P52 M74 L79 C86 S87 R91 A92 I93	N40-Y89 HydrophobicContact CB-CD1 4.44Å; N40-Y89 HydrophobicContact CB-CE1 4.04Å; N40-Y89 HydrophobicContact CB-CE2 4.14Å; F43-Y89 HydrophobicContact CB-CD1 4.16Å; F43-Y89 HydrophobicContact CB-CE1 3.99Å; F43-Y89 HydrophobicContact CD1-CD1 4.02Å; F43-Y89 AromaticContact CD2-CD1 3.54Å; F43-Y89 HydrophobicContact CD2-CD1 3.54Å; F43-Y89 HydrophobicContact CD2-CE1 4.05Å; F43-Y89 HydrophobicContact CD2-CG 4.5Å; F43-Y89 HydrophobicContact CE1-CD1 4.28Å; F43-Y89 AromaticContact CE2-CD1 3.89Å; F43-Y89 HydrophobicContact CE2-CD1 3.89Å; F43-Y89 HydrophobicContact CE2-CG 4.48Å; F43-Y89 AromaticContact CG-CD1 3.62Å; F43-Y89 HydrophobicContact CG-CD1 3.62Å; F43-Y89 AromaticContact CG-CE1 3.98Å; F43-Y89 HydrophobicContact CG-CE1 3.98Å; F43-Y89 HydrophobicContact CZ-CD1 4.22Å; P52-Y89 HydrophobicContact CB-CD1 3.65Å; P52-Y89 HydrophobicContact CB-CE1 3.62Å; P52-Y89 HydrophobicContact CG-CD1 3.72Å; P52-Y89 HydrophobicContact CG-CE1 4.02Å; P52-Y89 HydrophobicContact CG-CG 4.37Å; M74-Y89 HydrophobicContact CE-CD1 4.25Å; M74-Y89 HydrophobicContact CE-CG 4.03Å; L79-Y89 HydrophobicContact CD2-CE2 3.95Å; C86-Y89 PolarHBondContact O-N 2.76Å; C86-Y89 VanDerWaalsContact O-N 3.15Å; S87-Y89 VanDerWaalsContact C-N 3.34Å; S87-Y89 PolarHBondContact O-N 2.76Å; Y89-R91 VanDerWaalsContact C-N 3.32Å; Y89-R91 PolarHBondContact O-N 2.65Å; Y89-A92 PolarHBondContact O-N 3.12Å; Y89-I93 WeakPolarHBondContact O-CG1 3.44Å; Y89-I93 PolarHBondContact O-N 3.12Å
90	A	86.8	Confident	78.3	Confident	56 Å²	56	80.4 Å²	80.4	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-42.6	174.5	0	0	0	0	0	111.5	S87 I93 H94	S87-A90 PolarHBondContact O-N 2.93Å; A90-I93 PolarHBondContact O-N 3.28Å; A90-H94 WeakPolarHBondContact O-CB 3.33Å; A90-H94 PolarHBondContact O-N 2.83Å
91	R	87.6	Confident	79.2	Confident	104 Å²	104	80.5 Å²	80.5	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-59.1	-47.5	173	-79.7	-173	-71.6	-94	-1.6	111.7	D85 S87 Y89 I93 H94 E95	D85-R91 IonicContact OD2-CZ 3.92Å; D85-R91 IonicContact OD2-NH1 3.84Å; D85-R91 IonicContact OD2-NH2 3.02Å; D85-R91 PolarHBondContact OD2-NH2 2.76Å; S87-R91 WeakPolarHBondContact O-CB 3.23Å; S87-R91 VanDerWaalsContact O-CG 3.31Å; S87-R91 WeakPolarHBondContact O-CG 3.42Å; S87-R91 PolarHBondContact O-N 2.9Å; S87-R91 VanDerWaalsContact OG-CZ 3.26Å; S87-R91 PolarHBondContact OG-NH1 2.85Å; S87-R91 PolarHBondContact OG-NH2 3Å; Y89-R91 VanDerWaalsContact C-N 3.32Å; Y89-R91 PolarHBondContact O-N 2.65Å; R91-I93 VanDerWaalsContact C-N 3.33Å; R91-I93 PolarHBondContact O-N 2.98Å; R91-H94 WeakPolarHBondContact O-CB 3.45Å; R91-H94 PolarHBondContact O-N 2.71Å; R91-H94 VanDerWaalsContact O-N 3.15Å; R91-E95 WeakPolarHBondContact O-CG 3.23Å; R91-E95 PolarHBondContact O-N 2.89Å
92	A	88.5	Confident	79.8	Confident	8 Å²	8	73 Å²	73	7%	0.066	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-38.4	179.3	0	0	0	0	0	112.9	F43 P52 V88 Y89 V96	F43-A92 HydrophobicContact CD1-CB 4.4Å; F43-A92 HydrophobicContact CE1-CB 3.73Å; P52-A92 HydrophobicContact CG-CB 4.18Å; P52-A92 WeakPolarHBondContact O-CB 3.42Å; V88-A92 PolarHBondContact O-N 3.29Å; V88-A92 VanDerWaalsContact O-N 3.08Å; Y89-A92 PolarHBondContact O-N 3.12Å; A92-V96 WeakPolarHBondContact O-CG2 3.47Å; A92-V96 PolarHBondContact O-N 2.73Å
93	I	89.8	Confident	80.2	Confident	12 Å²	12	68 Å²	68	6%	0.062	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-43.3	173.6	-66.8	159.5	0	0	0	110.4	M38 F43 L66 V72 M74 Y89 A90 R91 E95 V96 W97	M38-I93 HydrophobicContact CE-CD1 3.6Å; M38-I93 HydrophobicContact CE-CG1 4.04Å; F43-I93 HydrophobicContact CZ-CD1 3.97Å; F43-I93 HydrophobicContact CZ-CG1 3.79Å; L66-I93 HydrophobicContact CD1-CG2 4.44Å; V72-I93 HydrophobicContact CG1-CD1 4.03Å; V72-I93 HydrophobicContact CG1-CG2 4.32Å; V72-I93 HydrophobicContact CG2-CG2 4.22Å; M74-I93 HydrophobicContact SD-CD1 3.99Å; Y89-I93 WeakPolarHBondContact O-CG1 3.44Å; Y89-I93 PolarHBondContact O-N 3.12Å; A90-I93 PolarHBondContact O-N 3.28Å; R91-I93 VanDerWaalsContact C-N 3.33Å; R91-I93 PolarHBondContact O-N 2.98Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 2.89Å; I93-V96 WeakPolarHBondContact O-CB 3.31Å; I93-V96 PolarHBondContact O-N 2.87Å; I93-V96 VanDerWaalsContact O-N 3.12Å; I93-W97 PolarHBondContact O-N 2.94Å
94	H	88.3	Confident	80.5	Confident	103 Å²	103	66.8 Å²	66.8	48%	0.477	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-40.2	178.4	-166	64.5	0	0	0	111.4	A90 R91 V96 W97 D98	A90-H94 WeakPolarHBondContact O-CB 3.33Å; A90-H94 PolarHBondContact O-N 2.83Å; R91-H94 WeakPolarHBondContact O-CB 3.45Å; R91-H94 PolarHBondContact O-N 2.71Å; R91-H94 VanDerWaalsContact O-N 3.15Å; H94-V96 VanDerWaalsContact C-N 3.3Å; H94-V96 PolarHBondContact O-N 2.52Å; H94-W97 AromaticContact CE1-CE3 3.55Å; H94-W97 AromaticContact CE1-CZ3 3.52Å; H94-W97 AromaticContact ND1-CE3 3.73Å; H94-W97 WeakPolarHBondContact O-CB 3.34Å; H94-W97 PolarHBondContact O-N 3.49Å; H94-D98 WeakPolarHBondContact O-CB 3.36Å; H94-D98 PolarHBondContact O-N 3.25Å
95	E	88.6	Confident	80.6	Confident	119 Å²	119	63.5 Å²	63.5	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-59.7	-39	173.7	-74.7	175.8	-172.2	0	0	112.6	R91 I93 H99	R91-E95 WeakPolarHBondContact O-CG 3.23Å; R91-E95 PolarHBondContact O-N 2.89Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 2.89Å; E95-H99 VanDerWaalsContact O-CB 3.29Å; E95-H99 WeakPolarHBondContact O-CB 3.46Å; E95-H99 PolarHBondContact O-N 3.37Å; E95-H99 VanDerWaalsContact O-N 3.11Å
96	V	88.4	Confident	79.8	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-48.5	173.7	176.3	0	0	0	0	110.1	V54 R59 L62 L66 A92 I93 H94 D98 H99 F100	V54-V96 HydrophobicContact CG2-CG2 3.88Å; R59-V96 HydrophobicContact CG-CG1 4.1Å; R59-V96 HydrophobicContact CG-CG2 4.19Å; L62-V96 HydrophobicContact CB-CG1 3.95Å; L66-V96 HydrophobicContact CD1-CG1 4.4Å; A92-V96 WeakPolarHBondContact O-CG2 3.47Å; A92-V96 PolarHBondContact O-N 2.73Å; I93-V96 WeakPolarHBondContact O-CB 3.31Å; I93-V96 PolarHBondContact O-N 2.87Å; I93-V96 VanDerWaalsContact O-N 3.12Å; H94-V96 VanDerWaalsContact C-N 3.3Å; H94-V96 PolarHBondContact O-N 2.52Å; V96-D98 PolarHBondContact O-N 3.07Å; V96-H99 WeakPolarHBondContact O-CB 3.22Å; V96-H99 PolarHBondContact O-N 2.72Å; V96-F100 HydrophobicContact CG1-CD2 3.93Å; V96-F100 HydrophobicContact CG1-CE2 3.95Å; V96-F100 VanDerWaalsContact O-CD2 3.25Å; V96-F100 WeakPolarHBondContact O-CD2 3.36Å; V96-F100 PolarHBondContact O-N 3.44Å
97	W	87.2	Confident	79	Confident	70 Å²	70	63.3 Å²	63.3	27%	0.265	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-48.1	178.5	179.4	85.2	0	0	0	112.5	L66 I93 H94 H99 F100 R101	L66-W97 HydrophobicContact CD1-CB 4.17Å; I93-W97 PolarHBondContact O-N 2.94Å; H94-W97 AromaticContact CE1-CE3 3.55Å; H94-W97 AromaticContact CE1-CZ3 3.52Å; H94-W97 AromaticContact ND1-CE3 3.73Å; H94-W97 WeakPolarHBondContact O-CB 3.34Å; H94-W97 PolarHBondContact O-N 3.49Å; W97-H99 VanDerWaalsContact C-N 3.31Å; W97-H99 PolarHBondContact O-N 3.15Å; W97-F100 PolarHBondContact O-N 3.07Å; W97-R101 HydrophobicContact CD2-CG 4.29Å; W97-R101 VanDerWaalsContact CE2-CD 3.43Å; W97-R101 HydrophobicContact CZ2-CG 4.41Å; W97-R101 PolarHBondContact O-N 3.03Å
98	D	86.4	Confident	78.3	Confident	74 Å²	74	65.8 Å²	65.8	40%	0.396	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-37.3	-176.7	-137.3	32	0	0	0	111	H94 V96 C102	H94-D98 WeakPolarHBondContact O-CB 3.36Å; H94-D98 PolarHBondContact O-N 3.25Å; V96-D98 PolarHBondContact O-N 3.07Å; D98-C102 VanDerWaalsContact O-CB 3.24Å; D98-C102 WeakPolarHBondContact O-CB 3.38Å; D98-C102 PolarHBondContact O-N 2.74Å; D98-C102 PolarHBondContact O-SG 3Å
99	H	84.3	Confident	77.8	Confident	127 Å²	127	68.7 Å²	68.7	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-59.4	-47.1	174.1	-177.5	74.8	0	0	0	112.1	E95 V96 W97	E95-H99 VanDerWaalsContact O-CB 3.29Å; E95-H99 WeakPolarHBondContact O-CB 3.46Å; E95-H99 PolarHBondContact O-N 3.37Å; E95-H99 VanDerWaalsContact O-N 3.11Å; V96-H99 WeakPolarHBondContact O-CB 3.22Å; V96-H99 PolarHBondContact O-N 2.72Å; W97-H99 VanDerWaalsContact C-N 3.31Å; W97-H99 PolarHBondContact O-N 3.15Å
100	F	78.5	Confident	77.4	Confident	67 Å²	67	70.3 Å²	70.3	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-78	-35.7	-178.2	-76.7	-76.3	0	0	0	113	R59 V96 W97 A103	R59-F100 HydrophobicContact CG-CE2 4.12Å; R59-F100 WeakPolarHBondContact O-CE2 3.45Å; V96-F100 HydrophobicContact CG1-CD2 3.93Å; V96-F100 HydrophobicContact CG1-CE2 3.95Å; V96-F100 VanDerWaalsContact O-CD2 3.25Å; V96-F100 WeakPolarHBondContact O-CD2 3.36Å; V96-F100 PolarHBondContact O-N 3.44Å; W97-F100 PolarHBondContact O-N 3.07Å; F100-A103 WeakPolarHBondContact O-CB 3.3Å; F100-A103 PolarHBondContact O-N 2.86Å
101	R	75.8	Confident	77.2	Confident	56 Å²	56	70.2 Å²	70.2	21%	0.211	37%	0.368	C	S	.	.	H	α-helix	trans	-70.2	-36.2	175.3	-81.4	-150.4	174.2	-178.2	0.1	113.5	W97 A103 T104	W97-R101 HydrophobicContact CD2-CG 4.29Å; W97-R101 VanDerWaalsContact CE2-CD 3.43Å; W97-R101 HydrophobicContact CZ2-CG 4.41Å; W97-R101 PolarHBondContact O-N 3.03Å; R101-A103 PolarHBondContact O-N 2.73Å; R101-T104 PolarHBondContact O-N 2.87Å; R101-T104 VanDerWaalsContact O-N 3.09Å; R101-T104 PolarHBondContact O-OG1 2.88Å; R101-T104 VanDerWaalsContact O-OG1 3.1Å
102	C	69.3	Low	77.1	Confident	66 Å²	66	72.6 Å²	72.6	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-28	175.1	-79.7	0	0	0	0	112.5	D98 T104	D98-C102 VanDerWaalsContact O-CB 3.24Å; D98-C102 WeakPolarHBondContact O-CB 3.38Å; D98-C102 PolarHBondContact O-N 2.74Å; D98-C102 PolarHBondContact O-SG 3Å; C102-T104 VanDerWaalsContact C-N 3.32Å
103	A	64.3	Low	77.2	Confident	85 Å²	85	76.8 Å²	76.8	70%	0.702	40%	0.402	S	S	*	.	H	α-helix	trans	-73.4	-21.1	176.7	0	0	0	0	0	113.4	F100 R101	F100-A103 WeakPolarHBondContact O-CB 3.3Å; F100-A103 PolarHBondContact O-N 2.86Å; R101-A103 PolarHBondContact O-N 2.73Å
104	T	63.3	Low	77.3	Confident	44 Å²	44	78.2 Å²	78.2	27%	0.27	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	13.4	-173.7	57	0	0	0	0	114.6	R101 C102 A106 N107	R101-T104 PolarHBondContact O-N 2.87Å; R101-T104 VanDerWaalsContact O-N 3.09Å; R101-T104 PolarHBondContact O-OG1 2.88Å; R101-T104 VanDerWaalsContact O-OG1 3.1Å; C102-T104 VanDerWaalsContact C-N 3.32Å; T104-A106 PolarHBondContact O-N 3.08Å; T104-N107 PolarHBondContact O-N 2.85Å
105	K	59.5	Low	77.5	Confident	132 Å²	132	73.3 Å²	73.3	57%	0.574	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-47.7	-36.7	-175.3	-79.3	-178.1	179.4	-179.1	0	115.5	N107 Q108	K105-N107 PolarHBondContact O-N 2.99Å; K105-N107 VanDerWaalsContact O-N 3.13Å; K105-Q108 PolarHBondContact O-N 3.5Å
106	A	57.3	Low	77.7	Confident	65 Å²	65	70.4 Å²	70.4	54%	0.537	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-60.2	-23.6	179.4	0	0	0	0	0	113.4	T104	T104-A106 PolarHBondContact O-N 3.08Å
107	N	60.3	Low	77.9	Confident	65 Å²	65	71.3 Å²	71.3	35%	0.348	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-95.8	-4.4	-176.8	-73	-26.5	0	0	0	114.4	T104 K105 A109 Y110	T104-N107 PolarHBondContact O-N 2.85Å; K105-N107 PolarHBondContact O-N 2.99Å; K105-N107 VanDerWaalsContact O-N 3.13Å; N107-A109 VanDerWaalsContact C-N 3.32Å; N107-A109 PolarHBondContact O-N 2.75Å; N107-Y110 PolarHBondContact O-N 2.93Å; N107-Y110 VanDerWaalsContact O-N 3.09Å
108	Q	69.2	Low	78.1	Confident	91 Å²	91	70.8 Å²	70.8	43%	0.425	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61.3	-37.8	-174.5	-76.5	-177.4	-19.5	0	0	113.1	K105 Y110 E111	K105-Q108 PolarHBondContact O-N 3.5Å; Q108-Y110 PolarHBondContact O-N 2.83Å; Q108-E111 WeakPolarHBondContact O-CB 3.19Å; Q108-E111 PolarHBondContact O-N 2.79Å; Q108-E111 VanDerWaalsContact O-N 3.14Å
109	A	73.5	Confident	78.3	Confident	77 Å²	77	71.2 Å²	71.2	64%	0.636	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-59.7	-22.4	178.8	0	0	0	0	0	113.2	N107	N107-A109 VanDerWaalsContact C-N 3.32Å; N107-A109 PolarHBondContact O-N 2.75Å
110	Y	79.3	Confident	78.6	Confident	53 Å²	53	66.3 Å²	66.3	21%	0.208	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-108	8.3	-176.6	-55.4	-70.8	0	0	0	113.4	N107 Q108 L112 Y113 K314 N385 F388	N107-Y110 PolarHBondContact O-N 2.93Å; N107-Y110 VanDerWaalsContact O-N 3.09Å; Q108-Y110 PolarHBondContact O-N 2.83Å; Y110-L112 PolarHBondContact O-N 2.48Å; Y110-Y113 HydrophobicContact CD1-CD2 4.28Å; Y110-Y113 HydrophobicContact CD1-CE2 4.49Å; Y110-Y113 PolarHBondContact O-N 3Å; Y110-Y113 VanDerWaalsContact O-N 3.11Å; Y110-K314 VanDerWaalsContact O-CD 3.24Å; Y110-K314 WeakPolarHBondContact O-CD 3.24Å; Y110-N385 HydrophobicContact CD2-CB 4.34Å; Y110-N385 HydrophobicContact CE2-CB 3.52Å; Y110-N385 VanDerWaalsContact CE2-CG 3.46Å; Y110-F388 HydrophobicContact CD1-CE1 4.31Å; Y110-F388 AromaticContact CD1-CZ 3.88Å; Y110-F388 HydrophobicContact CD1-CZ 3.88Å; Y110-F388 HydrophobicContact CG-CE1 4.41Å; Y110-F388 HydrophobicContact CG-CZ 4.28Å
111	E	82.1	Confident	79.1	Confident	55 Å²	55	66.2 Å²	66.2	26%	0.257	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-60.4	-36	178	-75.4	179.8	178.7	0	0	112	Q108 Y113 R114	Q108-E111 WeakPolarHBondContact O-CB 3.19Å; Q108-E111 PolarHBondContact O-N 2.79Å; Q108-E111 VanDerWaalsContact O-N 3.14Å; E111-Y113 PolarHBondContact O-N 2.88Å; E111-Y113 VanDerWaalsContact O-N 3.12Å; E111-R114 VanDerWaalsContact O-CB 3.3Å; E111-R114 WeakPolarHBondContact O-CB 3.07Å; E111-R114 VanDerWaalsContact O-CG 3.28Å; E111-R114 WeakPolarHBondContact O-CG 3.39Å; E111-R114 PolarHBondContact O-N 2.81Å; E111-R114 VanDerWaalsContact O-N 3.09Å; E111-R114 IonicContact OE1-NH2 2.96Å
112	L	86.2	Confident	79.8	Confident	154 Å²	154	65.3 Å²	65.3	81%	0.806	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-63.3	-17	177.2	-64.8	172.4	0	0	0	113.8	Y110 V116	Y110-L112 PolarHBondContact O-N 2.48Å; L112-V116 WeakPolarHBondContact O-CG2 3.37Å
113	Y	90.3	Very high	80.6	Confident	95 Å²	95	63.9 Å²	63.9	37%	0.373	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-97.2	-3.6	179	-63.2	-85.7	0	0	0	113.3	Y110 E111 D115 V116 K314 F388	Y110-Y113 HydrophobicContact CD1-CD2 4.28Å; Y110-Y113 HydrophobicContact CD1-CE2 4.49Å; Y110-Y113 PolarHBondContact O-N 3Å; Y110-Y113 VanDerWaalsContact O-N 3.11Å; E111-Y113 PolarHBondContact O-N 2.88Å; E111-Y113 VanDerWaalsContact O-N 3.12Å; Y113-D115 PolarHBondContact O-N 2.81Å; Y113-D115 VanDerWaalsContact O-N 3.17Å; Y113-V116 PolarHBondContact O-N 3.47Å; Y113-V116 VanDerWaalsContact O-N 3.12Å; Y113-K314 WeakPolarHBondContact O-CB 3.39Å; Y113-F388 HydrophobicContact CD1-CE2 4.14Å; Y113-F388 HydrophobicContact CD2-CZ 4.39Å; Y113-F388 AromaticContact CG-CE2 3.85Å; Y113-F388 HydrophobicContact CG-CE2 3.85Å; Y113-F388 HydrophobicContact CG-CZ 4.14Å
114	R	91	Very high	81.6	Confident	42 Å²	42	60.6 Å²	60.6	16%	0.158	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-57.3	119.5	-179.9	-73.6	175	175.9	-157.5	-2.9	110.1	D67 E111 V116 K314 H316	D67-R114 PolarHBondContact O-NH1 3.27Å; D67-R114 VanDerWaalsContact O-NH1 3.16Å; D67-R114 IonicContact OD1-CZ 3.52Å; D67-R114 IonicContact OD1-NH1 3.59Å; D67-R114 PolarHBondContact OD1-NH1 3Å; D67-R114 IonicContact OD1-NH2 2.69Å; D67-R114 PolarHBondContact OD1-NH2 2.88Å; D67-R114 IonicContact OD2-NH2 3.25Å; E111-R114 VanDerWaalsContact O-CB 3.3Å; E111-R114 WeakPolarHBondContact O-CB 3.07Å; E111-R114 VanDerWaalsContact O-CG 3.28Å; E111-R114 WeakPolarHBondContact O-CG 3.39Å; E111-R114 PolarHBondContact O-N 2.81Å; E111-R114 VanDerWaalsContact O-N 3.09Å; E111-R114 IonicContact OE1-NH2 2.96Å; R114-V116 PolarHBondContact O-N 3.09Å; R114-V116 VanDerWaalsContact O-N 3.17Å; R114-K314 HydrophobicContact CG-CD 4.25Å; R114-H316 HydrophobicContact CB-CB 3.7Å; R114-H316 HydrophobicContact CG-CB 3.81Å; R114-H316 PolarHBondContact NH1-CE1 3.12Å; R114-H316 PolarHBondContact NH1-NE2 2.96Å; R114-H316 VanDerWaalsContact NH1-NE2 3.19Å
115	D	93.2	Very high	82.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	24.7	-178.6	-52.2	-49.7	0	0	0	115	Y113 K287 V288 Q291 K314 H316 S317	Y113-D115 PolarHBondContact O-N 2.81Å; Y113-D115 VanDerWaalsContact O-N 3.17Å; D115-K287 HydrophobicContact CB-CD 3.92Å; D115-K287 HydrophobicContact CB-CG 4.26Å; D115-V288 HydrophobicContact CB-CG2 3.81Å; D115-Q291 PolarHBondContact O-NE2 2.84Å; D115-Q291 PolarHBondContact O-OE1 3.09Å; D115-Q291 VanDerWaalsContact O-OE1 3.04Å; D115-K314 PolarHBondContact N-O 3.47Å; D115-H316 PolarHBondContact OD1-N 2.87Å; D115-H316 WeakPolarHBondContact OD2-CB 3.48Å; D115-S317 PolarHBondContact OD1-N 3.39Å; D115-S317 VanDerWaalsContact OD1-N 3.09Å; D115-S317 WeakPolarHBondContact OD2-CB 3.39Å; D115-S317 PolarHBondContact OD2-N 3.2Å; D115-S317 PolarHBondContact OD2-OG 2.85Å
116	V	92.5	Very high	83.3	Confident	58 Å²	58	56 Å²	56	35%	0.352	30%	0.303	S	S	.	.			trans	-89.8	117.8	174.3	180	0	0	0	0	109.6	L112 Y113 R114 Q118	L112-V116 WeakPolarHBondContact O-CG2 3.37Å; Y113-V116 PolarHBondContact O-N 3.47Å; Y113-V116 VanDerWaalsContact O-N 3.12Å; R114-V116 PolarHBondContact O-N 3.09Å; R114-V116 VanDerWaalsContact O-N 3.17Å; V116-Q118 HydrophobicContact CG1-CG 4.43Å; V116-Q118 PolarHBondContact O-N 2.81Å; V116-Q118 PolarHBondContact O-NE2 3.3Å
117	V	92.3	Very high	84.4	Confident	22 Å²	22	56.9 Å²	56.9	13%	0.133	30%	0.298	C	S	.	.			trans	-65.3	122.9	176.2	173	0	0	0	0	110.4	V288 Q291 M292 L295 V305 I311	V117-V288 HydrophobicContact CG2-CG1 4.16Å; V117-Q291 HydrophobicContact CG2-CB 3.96Å; V117-M292 HydrophobicContact CG1-CG 4.31Å; V117-M292 HydrophobicContact CG2-CG 3.85Å; V117-L295 HydrophobicContact CB-CD1 4.47Å; V117-L295 HydrophobicContact CG1-CD1 4.29Å; V117-V305 HydrophobicContact CG1-CG1 4.02Å; V117-V305 HydrophobicContact CG1-CG2 4.38Å; V117-I311 HydrophobicContact CB-CD1 3.96Å; V117-I311 HydrophobicContact CG1-CB 4.28Å; V117-I311 HydrophobicContact CG1-CD1 3.5Å; V117-I311 VanDerWaalsContact CG1-CD1 3.5Å; V117-I311 HydrophobicContact CG1-CG1 4.48Å; V117-I311 HydrophobicContact CG1-CG2 4.11Å; V117-I311 HydrophobicContact CG2-CD1 3.64Å
118	Q	91.5	Very high	85.5	Confident	59 Å²	59	54.6 Å²	54.6	28%	0.276	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-128.9	138	176.4	-65.5	163.2	91.5	0	0	110.3	V116 I311 V312	V116-Q118 HydrophobicContact CG1-CG 4.43Å; V116-Q118 PolarHBondContact O-N 2.81Å; V116-Q118 PolarHBondContact O-NE2 3.3Å; Q118-I311 WeakPolarHBondContact O-CB 3.43Å; Q118-V312 HydrophobicContact CB-CB 4.43Å; Q118-V312 WeakPolarHBondContact CB-O 3.36Å; Q118-V312 PolarHBondContact N-O 3.38Å; Q118-V312 PolarHBondContact O-N 2.94Å
119	I	89.9	Confident	86.2	Confident	82 Å²	82	59.4 Å²	59.4	42%	0.421	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-69.9	133.7	172.5	-62.5	174.9	0	0	0	107.8	D303 V305	I119-D303 HydrophobicContact CD1-CB 3.95Å; I119-V305 HydrophobicContact CD1-CG2 4.38Å; I119-V305 HydrophobicContact CG1-CG2 4.24Å
120	P	91	Very high	86.5	Confident	24 Å²	24	58.6 Å²	58.6	16%	0.156	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-58.3	145	174.4	-18.3	30.1	0	0	0	111	M310 V312 M390	P120-M310 WeakPolarHBondContact CD-O 3.39Å; P120-M310 WeakPolarHBondContact CG-O 3.35Å; P120-V312 HydrophobicContact CB-CG2 3.94Å; P120-V312 HydrophobicContact CG-CG2 4.06Å; P120-M390 HydrophobicContact CB-CE 4.31Å; P120-M390 HydrophobicContact CG-CE 4Å; P120-M390 HydrophobicContact CG-SD 4.16Å
121	L	89.4	Confident	86.8	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.346	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-69.8	149.8	175.5	-63.2	171.6	0	0	0	110.3	P123 L128 T132 F136	L121-P123 HydrophobicContact CB-CG 4.4Å; L121-L128 HydrophobicContact CD2-CD2 4.36Å; L121-T132 HydrophobicContact CD1-CG2 3.83Å; L121-F136 HydrophobicContact CD1-CE1 4.04Å; L121-F136 HydrophobicContact CD1-CZ 3.5Å; L121-F136 VanDerWaalsContact CD1-CZ 3.5Å
122	E	89.6	Confident	86.8	Confident	37 Å²	37	61 Å²	61	17%	0.173	31%	0.306	C	S	.	.			trans	-122.7	70.8	171.7	-61.4	-167.3	-177.6	0	0	110.8	L124 G125 D126 I443 R444	E122-L124 PolarHBondContact O-N 2.86Å; E122-G125 PolarHBondContact O-N 3.41Å; E122-D126 PolarHBondContact O-N 3.11Å; E122-I443 HydrophobicContact CG-CG2 4.06Å; E122-R444 PolarHBondContact OE2-N 3.19Å; E122-R444 IonicContact OE2-NE 3.59Å
123	P	86.1	Confident	86.6	Confident	35 Å²	35	54.9 Å²	54.9	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21	-173.2	-22.8	34	0	0	0	114.4	L121 D126 L128 K201 E252	L121-P123 HydrophobicContact CB-CG 4.4Å; P123-D126 CarbonylContact C-O 3.47Å; P123-L128 HydrophobicContact CB-CD1 3.98Å; P123-L128 HydrophobicContact CB-CD2 4.38Å; P123-L128 HydrophobicContact CB-CG 4.15Å; P123-L128 HydrophobicContact CG-CD1 4.03Å; P123-L128 HydrophobicContact CG-CD2 4.32Å; P123-L128 HydrophobicContact CG-CG 4.44Å; P123-K201 WeakPolarHBondContact O-CE 3.47Å; P123-K201 PolarHBondContact O-NZ 3.21Å; P123-E252 WeakPolarHBondContact CG-OE2 3.32Å
124	L	85.2	Confident	86.4	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.084	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-47.1	173.9	-170.8	61.3	0	0	0	112	E122 K201 L253 L445	E122-L124 PolarHBondContact O-N 2.86Å; L124-K201 WeakPolarHBondContact O-CE 3.44Å; L124-K201 PolarHBondContact O-NZ 2.99Å; L124-L253 HydrophobicContact CD2-CB 4.12Å; L124-L253 HydrophobicContact CD2-CD1 3.77Å; L124-L445 HydrophobicContact CD2-CD2 4.21Å; L124-L445 WeakPolarHBondContact CD2-O 3.48Å
125	G	74.7	Confident	86	Confident	3 Å²	3	59 Å²	59	3%	0.031	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-35.2	-178.8	0	0	0	0	0	113.3	E122 S447	E122-G125 PolarHBondContact O-N 3.41Å; G125-S447 WeakPolarHBondContact O-CA 3.37Å; G125-S447 WeakPolarHBondContact O-CB 3.09Å
126	D	83.9	Confident	85.5	Confident	78 Å²	78	61.1 Å²	61.1	42%	0.417	31%	0.312	S	S	.	.	S	Bend	trans	-121.6	147.1	-175.6	-62	-46.4	0	0	0	111.8	E122 P123 K201 R444	E122-D126 PolarHBondContact O-N 3.11Å; P123-D126 CarbonylContact C-O 3.47Å; D126-K201 PolarHBondContact O-NZ 3.11Å; D126-R444 IonicContact OD1-CZ 3.86Å; D126-R444 IonicContact OD1-NH2 3.03Å; D126-R444 PolarHBondContact OD1-NH2 2.8Å; D126-R444 IonicContact OD2-NH2 2.72Å; D126-R444 PolarHBondContact OD2-NH2 2.99Å
127	D	81.6	Confident	85.2	Confident	82 Å²	82	61.4 Å²	61.4	44%	0.439	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-84.5	116.9	171.7	-71	-20.5	0	0	0	109.8	K201	D127-K201 IonicContact OD1-NZ 2.65Å; D127-K201 PolarHBondContact OD1-NZ 3.44Å
128	L	83.8	Confident	85	Confident	18 Å²	18	63.2 Å²	63.2	9%	0.094	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.1	145.3	-178.4	-58.5	-177.4	0	0	0	111.6	L121 P123 T132 Y133 F136 N202	L121-L128 HydrophobicContact CD2-CD2 4.36Å; P123-L128 HydrophobicContact CB-CD1 3.98Å; P123-L128 HydrophobicContact CB-CD2 4.38Å; P123-L128 HydrophobicContact CB-CG 4.15Å; P123-L128 HydrophobicContact CG-CD1 4.03Å; P123-L128 HydrophobicContact CG-CD2 4.32Å; P123-L128 HydrophobicContact CG-CG 4.44Å; L128-T132 HydrophobicContact CD1-CG2 4.25Å; L128-T132 HydrophobicContact CD2-CG2 4.41Å; L128-Y133 HydrophobicContact CB-CD2 4.3Å; L128-Y133 HydrophobicContact CB-CE2 3.68Å; L128-Y133 HydrophobicContact CD1-CE1 4.27Å; L128-F136 HydrophobicContact CD1-CE2 3.75Å; L128-F136 HydrophobicContact CD1-CZ 4.4Å; L128-N202 PolarHBondContact O-ND2 2.91Å
129	R	83.3	Confident	84.9	Confident	191 Å²	191	60.9 Å²	60.9	72%	0.721	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-77.8	158.6	175.9	-55.6	-175.7	-173.9	173	3.8	111	E131 T132 Y133	R129-E131 VanDerWaalsContact C-N 3.26Å; R129-E131 VanDerWaalsContact CB-OE2 3.27Å; R129-E131 WeakPolarHBondContact CB-OE2 3.48Å; R129-E131 PolarHBondContact O-N 2.97Å; R129-T132 WeakPolarHBondContact O-CB 3.29Å; R129-T132 PolarHBondContact O-N 2.83Å; R129-T132 VanDerWaalsContact O-N 3.11Å; R129-Y133 WeakPolarHBondContact O-CD2 3.09Å; R129-Y133 PolarHBondContact O-N 2.91Å
130	S	79.4	Confident	85.1	Confident	61 Å²	61	61.2 Å²	61.2	43%	0.427	33%	0.331	S	S	.	.	H	α-helix	trans	-61.1	-35.4	-176.5	-176.4	0	0	0	0	112.7	T132 Y133 E134 R175	S130-T132 VanDerWaalsContact C-N 3.28Å; S130-T132 PolarHBondContact O-N 3.39Å; S130-Y133 PolarHBondContact O-N 3.33Å; S130-E134 PolarHBondContact O-N 2.99Å; S130-E134 VanDerWaalsContact O-N 3.07Å; S130-R175 PolarHBondContact OG-NH1 3.18Å; S130-R175 VanDerWaalsContact OG-NH1 3.13Å
131	E	85.8	Confident	85.3	Confident	120 Å²	120	61.2 Å²	61.2	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-65.2	-34.6	179.1	-56.4	81	-179.5	0	0	111.1	R129 E134 V135	R129-E131 VanDerWaalsContact C-N 3.26Å; R129-E131 VanDerWaalsContact CB-OE2 3.27Å; R129-E131 WeakPolarHBondContact CB-OE2 3.48Å; R129-E131 PolarHBondContact O-N 2.97Å; E131-E134 PolarHBondContact O-N 3.43Å; E131-V135 WeakPolarHBondContact O-CG2 3.33Å; E131-V135 PolarHBondContact O-N 3.07Å; E131-V135 VanDerWaalsContact O-N 3.13Å
132	T	81.6	Confident	85.6	Confident	37 Å²	37	58.1 Å²	58.1	23%	0.227	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-45.5	176.2	-50.6	0	0	0	0	111	L121 L128 R129 S130 E134 V135 F136	L121-T132 HydrophobicContact CD1-CG2 3.83Å; L128-T132 HydrophobicContact CD1-CG2 4.25Å; L128-T132 HydrophobicContact CD2-CG2 4.41Å; R129-T132 WeakPolarHBondContact O-CB 3.29Å; R129-T132 PolarHBondContact O-N 2.83Å; R129-T132 VanDerWaalsContact O-N 3.11Å; S130-T132 VanDerWaalsContact C-N 3.28Å; S130-T132 PolarHBondContact O-N 3.39Å; T132-E134 VanDerWaalsContact C-N 3.31Å; T132-E134 PolarHBondContact O-N 2.97Å; T132-V135 PolarHBondContact O-N 3.33Å; T132-F136 HydrophobicContact CG2-CE1 4.28Å; T132-F136 HydrophobicContact CG2-CE2 4.01Å; T132-F136 HydrophobicContact CG2-CZ 3.81Å; T132-F136 WeakPolarHBondContact O-CG 3.15Å; T132-F136 PolarHBondContact O-N 2.61Å
133	Y	82.3	Confident	86	Confident	27 Å²	27	57.7 Å²	57.7	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-38.1	175	-71.6	-72.8	0	0	0	112.3	L128 R129 S130 V135 F136 E137 R175 N202 A205	L128-Y133 HydrophobicContact CB-CD2 4.3Å; L128-Y133 HydrophobicContact CB-CE2 3.68Å; L128-Y133 HydrophobicContact CD1-CE1 4.27Å; R129-Y133 WeakPolarHBondContact O-CD2 3.09Å; R129-Y133 PolarHBondContact O-N 2.91Å; S130-Y133 PolarHBondContact O-N 3.33Å; Y133-V135 VanDerWaalsContact C-N 3.32Å; Y133-V135 PolarHBondContact O-N 3.45Å; Y133-F136 HydrophobicContact CD1-CD2 4.39Å; Y133-F136 WeakPolarHBondContact O-CB 3.21Å; Y133-F136 PolarHBondContact O-N 3.05Å; Y133-F136 VanDerWaalsContact O-N 3.16Å; Y133-E137 WeakPolarHBondContact O-CB 3.09Å; Y133-E137 VanDerWaalsContact O-CG 3.25Å; Y133-E137 WeakPolarHBondContact O-CG 2.96Å; Y133-E137 PolarHBondContact O-N 2.87Å; Y133-R175 HydrophobicContact CD1-CG 4.33Å; Y133-R175 HydrophobicContact CD2-CG 4.15Å; Y133-R175 HydrophobicContact CG-CG 3.91Å; Y133-N202 PolarHBondContact OH-ND2 2.98Å; Y133-A205 HydrophobicContact CE2-CB 4.48Å
134	E	86.1	Confident	86.6	Confident	128 Å²	128	63.6 Å²	63.6	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-39.9	178	-172.2	171.8	-164.4	0	0	112.3	S130 E131 T132 E137 G138 R175	S130-E134 PolarHBondContact O-N 2.99Å; S130-E134 VanDerWaalsContact O-N 3.07Å; E131-E134 PolarHBondContact O-N 3.43Å; T132-E134 VanDerWaalsContact C-N 3.31Å; T132-E134 PolarHBondContact O-N 2.97Å; E134-E137 PolarHBondContact O-N 3.49Å; E134-G138 PolarHBondContact O-N 2.84Å; E134-R175 VanDerWaalsContact CA-NH2 3.28Å
135	V	82	Confident	87.2	Confident	96 Å²	96	64.7 Å²	64.7	58%	0.582	33%	0.334	S	S	*	.	H	α-helix	trans	-62	-45.3	173.1	174.8	0	0	0	0	111	E131 T132 Y133 E137 G138	E131-V135 WeakPolarHBondContact O-CG2 3.33Å; E131-V135 PolarHBondContact O-N 3.07Å; E131-V135 VanDerWaalsContact O-N 3.13Å; T132-V135 PolarHBondContact O-N 3.33Å; Y133-V135 VanDerWaalsContact C-N 3.32Å; Y133-V135 PolarHBondContact O-N 3.45Å; V135-E137 VanDerWaalsContact C-N 3.26Å; V135-E137 PolarHBondContact O-N 3.22Å; V135-G138 PolarHBondContact O-N 3.5Å
136	F	83.6	Confident	88.3	Confident	43 Å²	43	64.6 Å²	64.6	19%	0.189	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-34.2	177.9	-63.4	-20.9	0	0	0	113.3	L121 L128 T132 Y133 G138 Y143	L121-F136 HydrophobicContact CD1-CE1 4.04Å; L121-F136 HydrophobicContact CD1-CZ 3.5Å; L121-F136 VanDerWaalsContact CD1-CZ 3.5Å; L128-F136 HydrophobicContact CD1-CE2 3.75Å; L128-F136 HydrophobicContact CD1-CZ 4.4Å; T132-F136 HydrophobicContact CG2-CE1 4.28Å; T132-F136 HydrophobicContact CG2-CE2 4.01Å; T132-F136 HydrophobicContact CG2-CZ 3.81Å; T132-F136 WeakPolarHBondContact O-CG 3.15Å; T132-F136 PolarHBondContact O-N 2.61Å; Y133-F136 HydrophobicContact CD1-CD2 4.39Å; Y133-F136 WeakPolarHBondContact O-CB 3.21Å; Y133-F136 PolarHBondContact O-N 3.05Å; Y133-F136 VanDerWaalsContact O-N 3.16Å; F136-G138 VanDerWaalsContact C-N 3.3Å; F136-Y143 VanDerWaalsContact O-CE2 3.3Å; F136-Y143 WeakPolarHBondContact O-CE2 3.16Å; F136-Y143 PolarHBondContact O-OH 2.74Å
137	E	86.9	Confident	89	Confident	65 Å²	65	64.1 Å²	64.1	30%	0.304	33%	0.328	S	S	.	.	H	α-helix	trans	-76.2	-19.2	-178.2	-74	165.4	-147.2	0	0	112.9	Y133 E134 V135 D139 R175 P177	Y133-E137 WeakPolarHBondContact O-CB 3.09Å; Y133-E137 VanDerWaalsContact O-CG 3.25Å; Y133-E137 WeakPolarHBondContact O-CG 2.96Å; Y133-E137 PolarHBondContact O-N 2.87Å; E134-E137 PolarHBondContact O-N 3.49Å; V135-E137 VanDerWaalsContact C-N 3.26Å; V135-E137 PolarHBondContact O-N 3.22Å; E137-D139 PolarHBondContact O-N 3.4Å; E137-R175 WeakPolarHBondContact OE1-CB 3.2Å; E137-R175 IonicContact OE1-CZ 3.91Å; E137-R175 IonicContact OE1-NE 3.93Å; E137-R175 PolarHBondContact OE1-NE 3.04Å; E137-R175 IonicContact OE1-NH2 2.92Å; E137-R175 PolarHBondContact OE1-NH2 3.38Å; E137-R175 VanDerWaalsContact OE1-NH2 3.1Å; E137-R175 IonicContact OE2-CZ 2.74Å; E137-R175 IonicContact OE2-NE 2.61Å; E137-R175 IonicContact OE2-NH2 3.77Å; E137-R175 PolarHBondContact OE2-NH2 2.79Å; E137-P177 HydrophobicContact CG-CB 4.22Å; E137-P177 HydrophobicContact CG-CG 4.03Å
138	G	87.2	Confident	89.8	Confident	60 Å²	60	63.2 Å²	63.2	62%	0.619	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.5	176.1	0	0	0	0	0	114.7	E134 V135 F136 C140	E134-G138 PolarHBondContact O-N 2.84Å; V135-G138 PolarHBondContact O-N 3.5Å; F136-G138 VanDerWaalsContact C-N 3.3Å; G138-C140 PolarHBondContact O-N 3.23Å
139	D	89.9	Confident	90.6	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.048	32%	0.319	C	S	.	.			trans	-85.7	89.3	180	-167.3	-26.9	0	0	0	112	E137 V141 K142 Y143 M384 N385 S386	E137-D139 PolarHBondContact O-N 3.4Å; D139-V141 PolarHBondContact O-N 3.31Å; D139-V141 WeakPolarHBondContact OD1-CB 3.4Å; D139-V141 PolarHBondContact OD1-N 3.24Å; D139-K142 HydrophobicContact CB-CB 4.16Å; D139-K142 PolarHBondContact O-N 2.95Å; D139-K142 PolarHBondContact OD1-N 2.94Å; D139-Y143 WeakPolarHBondContact O-CD2 3.46Å; D139-Y143 WeakPolarHBondContact O-CE2 3.33Å; D139-M384 WeakPolarHBondContact OD2-CG 3.43Å; D139-N385 PolarHBondContact OD2-N 2.91Å; D139-S386 WeakPolarHBondContact CB-OG 3.35Å; D139-S386 WeakPolarHBondContact OD2-CB 3.47Å; D139-S386 PolarHBondContact OD2-N 3.1Å; D139-S386 PolarHBondContact OD2-OG 3.09Å
140	C	93.1	Very high	91.3	Very high	90 Å²	90	53.3 Å²	53.3	61%	0.608	29%	0.285	S	S	*	.	H	α-helix	trans	-66.2	-24.2	178.7	65.2	0	0	0	0	113.7	G138 R144	G138-C140 PolarHBondContact O-N 3.23Å; C140-R144 WeakPolarHBondContact O-CB 3.4Å; C140-R144 PolarHBondContact O-N 2.86Å; C140-R144 VanDerWaalsContact O-N 3.07Å
141	V	95.5	Very high	92.2	Very high	24 Å²	24	53.1 Å²	53.1	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-71.2	-45.5	-179.9	178.8	0	0	0	0	109.5	D139 Y143 R144 M145 T381 N383 M384	D139-V141 PolarHBondContact O-N 3.31Å; D139-V141 WeakPolarHBondContact OD1-CB 3.4Å; D139-V141 PolarHBondContact OD1-N 3.24Å; V141-Y143 VanDerWaalsContact C-N 3.34Å; V141-Y143 PolarHBondContact O-N 3.3Å; V141-R144 PolarHBondContact O-N 3.37Å; V141-M145 HydrophobicContact CG1-CG 4.41Å; V141-M145 WeakPolarHBondContact O-CG 3.43Å; V141-M145 PolarHBondContact O-N 3.19Å; V141-T381 HydrophobicContact CG1-CG2 3.68Å; V141-N383 HydrophobicContact CG2-CB 4.11Å; V141-M384 HydrophobicContact CB-CB 4.49Å; V141-M384 HydrophobicContact CG1-CB 4.28Å
142	K	97.1	Very high	92.8	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-49.9	-54.8	175.5	-179.6	173.8	69.8	173.1	0	111.2	D139 R144 M145 Y146 E243 L373 W387	D139-K142 HydrophobicContact CB-CB 4.16Å; D139-K142 PolarHBondContact O-N 2.95Å; D139-K142 PolarHBondContact OD1-N 2.94Å; K142-R144 PolarHBondContact O-N 2.82Å; K142-M145 PolarHBondContact O-N 3.44Å; K142-Y146 HydrophobicContact CG-CD2 4.14Å; K142-Y146 HydrophobicContact CG-CE2 4.13Å; K142-Y146 WeakPolarHBondContact O-CD2 3.46Å; K142-Y146 PolarHBondContact O-N 3.32Å; K142-Y146 VanDerWaalsContact O-N 3.12Å; K142-E243 HydrophobicContact CD-CG 4.2Å; K142-E243 IonicContact NZ-OE2 3.41Å; K142-E243 PolarHBondContact NZ-OE2 2.99Å; K142-L373 HydrophobicContact CG-CD1 4.39Å; K142-W387 HydrophobicContact CD-CH2 3.3Å; K142-W387 HydrophobicContact CD-CZ2 3.98Å; K142-W387 HydrophobicContact CD-CZ3 3.92Å; K142-W387 HydrophobicContact CG-CH2 3.93Å; K142-W387 HydrophobicContact CG-CZ3 4.32Å
143	Y	97.4	Very high	93.6	Very high	28 Å²	28	49.1 Å²	49.1	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-71.1	-28.6	-177	-58.3	-66.9	0	0	0	113.6	F136 D139 V141 Y146 Q147 P177 L178	F136-Y143 VanDerWaalsContact O-CE2 3.3Å; F136-Y143 WeakPolarHBondContact O-CE2 3.16Å; F136-Y143 PolarHBondContact O-OH 2.74Å; D139-Y143 WeakPolarHBondContact O-CD2 3.46Å; D139-Y143 WeakPolarHBondContact O-CE2 3.33Å; V141-Y143 VanDerWaalsContact C-N 3.34Å; V141-Y143 PolarHBondContact O-N 3.3Å; Y143-Y146 PolarHBondContact O-N 2.78Å; Y143-Q147 WeakPolarHBondContact O-CB 3.19Å; Y143-Q147 PolarHBondContact O-N 2.91Å; Y143-P177 HydrophobicContact CD1-CB 3.92Å; Y143-P177 HydrophobicContact CD1-CG 4.38Å; Y143-P177 HydrophobicContact CE1-CB 3.46Å; Y143-P177 VanDerWaalsContact CE1-CB 3.46Å; Y143-P177 HydrophobicContact CE1-CG 3.49Å; Y143-P177 VanDerWaalsContact CE1-CG 3.49Å; Y143-P177 HydrophobicContact CE2-CB 4.25Å; Y143-P177 HydrophobicContact CG-CB 4.48Å; Y143-L178 HydrophobicContact CD1-CD2 4.06Å; Y143-L178 HydrophobicContact CD1-CG 4.48Å; Y143-L178 HydrophobicContact CE1-CD2 4.47Å; Y143-L178 HydrophobicContact CE1-CG 4.46Å
144	R	97.8	Very high	94.3	Very high	159 Å²	159	47.9 Å²	47.9	60%	0.6	25%	0.25	S	C	*	.	H	α-helix	trans	-63	-44.8	170.6	-178.9	179.7	-68.9	169.1	-1.2	111.3	C140 V141 K142 Y146 Q147 D148	C140-R144 WeakPolarHBondContact O-CB 3.4Å; C140-R144 PolarHBondContact O-N 2.86Å; C140-R144 VanDerWaalsContact O-N 3.07Å; V141-R144 PolarHBondContact O-N 3.37Å; K142-R144 PolarHBondContact O-N 2.82Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; R144-Y146 PolarHBondContact O-N 2.88Å; R144-Q147 WeakPolarHBondContact O-CA 3.46Å; R144-Q147 VanDerWaalsContact O-CB 3.25Å; R144-Q147 WeakPolarHBondContact O-CB 3.33Å; R144-Q147 PolarHBondContact O-N 3.43Å; R144-D148 PolarHBondContact O-N 2.96Å
145	M	98.3	Very high	94.7	Very high	39 Å²	39	45.2 Å²	45.2	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-39	178	-61.3	-58.3	-76.1	0	0	111.6	V141 K142 Q147 D148 A149 L367 V371 F372 L373 T381	V141-M145 HydrophobicContact CG1-CG 4.41Å; V141-M145 WeakPolarHBondContact O-CG 3.43Å; V141-M145 PolarHBondContact O-N 3.19Å; K142-M145 PolarHBondContact O-N 3.44Å; M145-Q147 VanDerWaalsContact C-N 3.31Å; M145-Q147 PolarHBondContact O-N 3.08Å; M145-D148 PolarHBondContact O-N 3Å; M145-A149 WeakPolarHBondContact O-CB 3.21Å; M145-A149 PolarHBondContact O-N 2.99Å; M145-L367 HydrophobicContact CB-CD1 3.89Å; M145-L367 WeakPolarHBondContact O-CD1 3.15Å; M145-V371 HydrophobicContact CB-CG1 4.38Å; M145-V371 HydrophobicContact CE-CG1 3.83Å; M145-V371 WeakPolarHBondContact O-CG1 3.39Å; M145-F372 WeakPolarHBondContact CE-O 3.19Å; M145-L373 HydrophobicContact CB-CD2 3.6Å; M145-L373 HydrophobicContact CB-CG 4.27Å; M145-L373 HydrophobicContact CG-CD2 3.63Å; M145-T381 HydrophobicContact CG-CG2 4.37Å
146	Y	98.6	Very high	95.4	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-36.8	171	-86.8	-80.6	0	0	0	112.6	K142 Y143 R144 F150 L178 I241 S242 E243 I272 L367 L373	K142-Y146 HydrophobicContact CG-CD2 4.14Å; K142-Y146 HydrophobicContact CG-CE2 4.13Å; K142-Y146 WeakPolarHBondContact O-CD2 3.46Å; K142-Y146 PolarHBondContact O-N 3.32Å; K142-Y146 VanDerWaalsContact O-N 3.12Å; Y143-Y146 PolarHBondContact O-N 2.78Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; R144-Y146 PolarHBondContact O-N 2.88Å; Y146-F150 VanDerWaalsContact O-CB 3.25Å; Y146-F150 WeakPolarHBondContact O-CB 3.39Å; Y146-F150 PolarHBondContact O-N 3.25Å; Y146-L178 HydrophobicContact CD1-CD2 3.77Å; Y146-L178 HydrophobicContact CD2-CD2 3.96Å; Y146-L178 HydrophobicContact CE1-CD2 4.45Å; Y146-L178 HydrophobicContact CG-CD2 3.5Å; Y146-I241 HydrophobicContact CD1-CG2 3.95Å; Y146-I241 HydrophobicContact CE1-CG2 4.16Å; Y146-S242 WeakPolarHBondContact CE1-O 3.46Å; Y146-S242 PolarHBondContact OH-O 3.24Å; Y146-E243 HydrophobicContact CE2-CB 4.27Å; Y146-E243 HydrophobicContact CE2-CG 3.66Å; Y146-E243 WeakPolarHBondContact OH-CG 3.41Å; Y146-I272 HydrophobicContact CD1-CG2 4.01Å; Y146-I272 HydrophobicContact CE1-CG2 4Å; Y146-L367 HydrophobicContact CD1-CD1 4.21Å; Y146-L367 HydrophobicContact CD1-CD2 4.44Å; Y146-L367 HydrophobicContact CD2-CD1 4.17Å; Y146-L367 HydrophobicContact CE1-CD1 4.43Å; Y146-L367 HydrophobicContact CE1-CD2 3.87Å; Y146-L367 HydrophobicContact CE2-CD1 4.39Å; Y146-L367 HydrophobicContact CE2-CD2 4.28Å; Y146-L367 HydrophobicContact CG-CD1 4.06Å; Y146-L373 HydrophobicContact CD2-CD1 4.27Å; Y146-L373 HydrophobicContact CE2-CD1 3.7Å
147	Q	98.6	Very high	95.9	Very high	67 Å²	67	42.6 Å²	42.6	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-51.5	175	-167.6	-176.5	-80.7	0	0	111.2	Y143 R144 M145 A149 F150 E151 V181 V185	Y143-Q147 WeakPolarHBondContact O-CB 3.19Å; Y143-Q147 PolarHBondContact O-N 2.91Å; R144-Q147 WeakPolarHBondContact O-CA 3.46Å; R144-Q147 VanDerWaalsContact O-CB 3.25Å; R144-Q147 WeakPolarHBondContact O-CB 3.33Å; R144-Q147 PolarHBondContact O-N 3.43Å; M145-Q147 VanDerWaalsContact C-N 3.31Å; M145-Q147 PolarHBondContact O-N 3.08Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; Q147-A149 PolarHBondContact O-N 2.84Å; Q147-F150 PolarHBondContact O-N 2.68Å; Q147-E151 WeakPolarHBondContact O-CB 3.25Å; Q147-E151 PolarHBondContact O-N 3.41Å; Q147-V181 VanDerWaalsContact CA-CG1 3.42Å; Q147-V181 HydrophobicContact CB-CG1 3.7Å; Q147-V181 HydrophobicContact CG-CG1 4.07Å; Q147-V185 HydrophobicContact CG-CG2 3.4Å; Q147-V185 VanDerWaalsContact CG-CG2 3.4Å
148	D	98.6	Very high	96.1	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-41.9	-178.8	-62.4	-13.7	0	0	0	111	R144 M145 K152 V371	R144-D148 PolarHBondContact O-N 2.96Å; M145-D148 PolarHBondContact O-N 3Å; D148-K152 WeakPolarHBondContact O-CB 3.37Å; D148-K152 PolarHBondContact O-N 2.94Å; D148-V371 HydrophobicContact CB-CG1 4.32Å; D148-V371 HydrophobicContact CB-CG2 4.37Å
149	A	98.8	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-45.8	176.8	0	0	0	0	0	112.3	M145 Q147 K152 A153 I272 L367 V371	M145-A149 WeakPolarHBondContact O-CB 3.21Å; M145-A149 PolarHBondContact O-N 2.99Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; Q147-A149 PolarHBondContact O-N 2.84Å; A149-K152 PolarHBondContact O-N 2.58Å; A149-A153 WeakPolarHBondContact O-CB 3.28Å; A149-A153 PolarHBondContact O-N 3.01Å; A149-I272 HydrophobicContact CB-CG2 4.4Å; A149-L367 HydrophobicContact CB-CB 3.42Å; A149-L367 VanDerWaalsContact CB-CB 3.42Å; A149-L367 HydrophobicContact CB-CD1 4.08Å; A149-L367 HydrophobicContact CB-CG 4.42Å; A149-V371 HydrophobicContact CB-CB 4.04Å; A149-V371 HydrophobicContact CB-CG1 3.93Å
150	F	98.7	Very high	96.2	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-44	179.1	174.5	-116.9	0	0	0	111.8	Y146 Q147 K152 A153 L154 V168 V182 V185 L186 I239 I241 I272	Y146-F150 VanDerWaalsContact O-CB 3.25Å; Y146-F150 WeakPolarHBondContact O-CB 3.39Å; Y146-F150 PolarHBondContact O-N 3.25Å; Q147-F150 PolarHBondContact O-N 2.68Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.49Å; F150-A153 PolarHBondContact O-N 3.3Å; F150-L154 HydrophobicContact CE1-CD2 4.35Å; F150-L154 HydrophobicContact CZ-CD2 4.34Å; F150-L154 WeakPolarHBondContact O-CB 3.37Å; F150-L154 PolarHBondContact O-N 3.03Å; F150-V168 HydrophobicContact CE2-CG1 3.9Å; F150-V168 HydrophobicContact CE2-CG2 3.94Å; F150-V168 HydrophobicContact CZ-CG1 4.24Å; F150-V168 HydrophobicContact CZ-CG2 4.04Å; F150-V182 HydrophobicContact CD1-CB 4.48Å; F150-V182 HydrophobicContact CD1-CG2 4.12Å; F150-V182 HydrophobicContact CE1-CB 4.07Å; F150-V182 HydrophobicContact CE1-CG1 3.93Å; F150-V182 HydrophobicContact CE1-CG2 4.03Å; F150-V182 HydrophobicContact CE2-CG2 4.45Å; F150-V182 HydrophobicContact CG-CG2 4.38Å; F150-V182 HydrophobicContact CZ-CB 4.41Å; F150-V182 HydrophobicContact CZ-CG1 3.88Å; F150-V182 HydrophobicContact CZ-CG2 4.21Å; F150-V185 HydrophobicContact CD1-CB 3.72Å; F150-V185 HydrophobicContact CD1-CG1 3.75Å; F150-V185 HydrophobicContact CD1-CG2 3.95Å; F150-V185 HydrophobicContact CE1-CB 3.81Å; F150-V185 HydrophobicContact CE1-CG1 3.8Å; F150-L186 HydrophobicContact CE1-CD1 4.47Å; F150-L186 HydrophobicContact CE1-CG 4.13Å; F150-L186 HydrophobicContact CZ-CD1 4.28Å; F150-L186 HydrophobicContact CZ-CD2 4.38Å; F150-L186 HydrophobicContact CZ-CG 4.21Å; F150-I239 HydrophobicContact CD2-CD1 4.43Å; F150-I239 HydrophobicContact CD2-CG2 4.24Å; F150-I239 HydrophobicContact CE2-CD1 4.03Å; F150-I239 HydrophobicContact CE2-CG2 4.32Å; F150-I241 HydrophobicContact CB-CD1 4.21Å; F150-I241 HydrophobicContact CD2-CD1 3.38Å; F150-I241 HydrophobicContact CD2-CG1 4.42Å; F150-I241 HydrophobicContact CE2-CD1 3.89Å; F150-I241 HydrophobicContact CG-CD1 3.84Å; F150-I272 HydrophobicContact CB-CD1 4.37Å; F150-I272 HydrophobicContact CD2-CD1 4.49Å
151	E	98.4	Very high	95.7	Very high	56 Å²	56	46.7 Å²	46.7	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-45	176.4	-178.2	167.5	-145.2	0	0	111.2	Q147 L154 L155 V185 Q189	Q147-E151 WeakPolarHBondContact O-CB 3.25Å; Q147-E151 PolarHBondContact O-N 3.41Å; E151-L154 PolarHBondContact O-N 2.78Å; E151-L155 HydrophobicContact CG-CD1 4.11Å; E151-L155 VanDerWaalsContact O-CG 3.28Å; E151-L155 WeakPolarHBondContact O-CG 3.49Å; E151-L155 PolarHBondContact O-N 3.19Å; E151-V185 HydrophobicContact CB-CG1 3.75Å; E151-V185 HydrophobicContact CB-CG2 4.29Å; E151-V185 HydrophobicContact CG-CG1 4.07Å; E151-Q189 PolarHBondContact OE1-NE2 3.23Å
152	K	98.3	Very high	94.8	Very high	74 Å²	74	50 Å²	50	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-46.6	177.4	-166.2	173.7	-177.9	160	0	112.4	D148 A149 F150 L154 L155 D156 Y368 D370	D148-K152 WeakPolarHBondContact O-CB 3.37Å; D148-K152 PolarHBondContact O-N 2.94Å; A149-K152 PolarHBondContact O-N 2.58Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.49Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-L154 PolarHBondContact O-N 3.19Å; K152-L155 PolarHBondContact O-N 2.84Å; K152-D156 PolarHBondContact O-N 2.93Å; K152-Y368 HydrophobicContact CB-CD1 4Å; K152-Y368 HydrophobicContact CB-CE1 4.29Å; K152-Y368 HydrophobicContact CD-CD1 4.26Å; K152-Y368 HydrophobicContact CD-CE1 4.47Å; K152-Y368 HydrophobicContact CG-CD1 4Å; K152-Y368 HydrophobicContact CG-CE1 3.96Å; K152-D370 IonicContact NZ-OD1 3.82Å; K152-D370 PolarHBondContact NZ-OD1 3.31Å; K152-D370 IonicContact NZ-OD2 3.86Å
153	A	97.9	Very high	93.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-41	177.4	0	0	0	0	0	112.4	A149 F150 R157 I239 I272 Y368	A149-A153 WeakPolarHBondContact O-CB 3.28Å; A149-A153 PolarHBondContact O-N 3.01Å; F150-A153 PolarHBondContact O-N 3.3Å; A153-R157 VanDerWaalsContact O-CB 3.29Å; A153-R157 WeakPolarHBondContact O-CB 3.38Å; A153-R157 PolarHBondContact O-N 3.14Å; A153-I239 HydrophobicContact CB-CD1 4.25Å; A153-I272 HydrophobicContact CB-CD1 3.87Å; A153-Y368 VanDerWaalsContact CA-CE1 3.43Å; A153-Y368 HydrophobicContact CB-CD1 3.82Å; A153-Y368 HydrophobicContact CB-CD2 3.78Å; A153-Y368 HydrophobicContact CB-CE1 3.91Å; A153-Y368 HydrophobicContact CB-CE2 3.86Å; A153-Y368 HydrophobicContact CB-CG 3.76Å
154	L	96.9	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-49.7	176.9	178.7	67.7	0	0	0	111.1	F150 E151 K152 R157 C158 M166 V185 L186 Q189 M191 I239	F150-L154 HydrophobicContact CE1-CD2 4.35Å; F150-L154 HydrophobicContact CZ-CD2 4.34Å; F150-L154 WeakPolarHBondContact O-CB 3.37Å; F150-L154 PolarHBondContact O-N 3.03Å; E151-L154 PolarHBondContact O-N 2.78Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-L154 PolarHBondContact O-N 3.19Å; L154-R157 PolarHBondContact O-N 2.83Å; L154-C158 PolarHBondContact O-N 3.26Å; L154-C158 PolarHBondContact O-SG 3.05Å; L154-M166 HydrophobicContact CD1-CE 3.98Å; L154-M166 HydrophobicContact CD1-SD 3.52Å; L154-M166 VanDerWaalsContact CD1-SD 3.52Å; L154-V185 HydrophobicContact CD2-CG1 3.86Å; L154-L186 HydrophobicContact CD1-CD2 4.07Å; L154-L186 HydrophobicContact CD2-CD2 3.67Å; L154-L186 HydrophobicContact CD2-CG 4.49Å; L154-Q189 HydrophobicContact CD2-CG 4.4Å; L154-M191 HydrophobicContact CD1-SD 3.89Å; L154-M191 HydrophobicContact CD2-CE 4.5Å; L154-M191 HydrophobicContact CD2-SD 3.78Å; L154-M191 HydrophobicContact CG-CE 4.42Å; L154-M191 HydrophobicContact CG-SD 3.95Å; L154-I239 HydrophobicContact CB-CD1 4.47Å
155	L	95.5	Very high	91.3	Very high	72 Å²	72	53.5 Å²	53.5	38%	0.377	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-42.4	-179.2	-68.9	174.4	0	0	0	112.3	E151 K152 R157 C158 A159	E151-L155 HydrophobicContact CG-CD1 4.11Å; E151-L155 VanDerWaalsContact O-CG 3.28Å; E151-L155 WeakPolarHBondContact O-CG 3.49Å; E151-L155 PolarHBondContact O-N 3.19Å; K152-L155 PolarHBondContact O-N 2.84Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.85Å; L155-C158 PolarHBondContact O-N 2.92Å; L155-A159 PolarHBondContact O-N 3.41Å
156	D	95.8	Very high	91.2	Very high	73 Å²	73	52.1 Å²	52.1	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-41.9	175.4	-75	-7.8	0	0	0	111.3	K152 A159 A160 Y368	K152-D156 PolarHBondContact O-N 2.93Å; D156-A159 PolarHBondContact O-N 2.83Å; D156-A160 PolarHBondContact O-N 3.31Å; D156-A160 VanDerWaalsContact O-N 3.15Å; D156-Y368 WeakPolarHBondContact CB-OH 3.23Å; D156-Y368 WeakPolarHBondContact OD2-CE1 3.43Å; D156-Y368 PolarHBondContact OD2-OH 3.19Å
157	R	93.8	Very high	91.1	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-42	177	-164.9	74	171.4	141.6	3.7	111.4	A153 L154 L155 A159 A160 Y161 M166 D238 D268	A153-R157 VanDerWaalsContact O-CB 3.29Å; A153-R157 WeakPolarHBondContact O-CB 3.38Å; A153-R157 PolarHBondContact O-N 3.14Å; L154-R157 PolarHBondContact O-N 2.83Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.85Å; R157-A159 VanDerWaalsContact C-N 3.3Å; R157-A159 PolarHBondContact O-N 3.31Å; R157-A160 PolarHBondContact O-N 2.67Å; R157-Y161 HydrophobicContact CG-CD2 4.46Å; R157-Y161 PolarHBondContact O-N 2.72Å; R157-M166 HydrophobicContact CB-CE 3.88Å; R157-M166 HydrophobicContact CG-CE 3.55Å; R157-M166 HydrophobicContact CG-SD 4.36Å; R157-D238 IonicContact CZ-OD1 2.72Å; R157-D238 IonicContact NE-OD1 3.76Å; R157-D238 IonicContact NH2-OD1 2.84Å; R157-D238 PolarHBondContact NH2-OD1 2.82Å; R157-D268 IonicContact CZ-OD1 3.68Å; R157-D268 IonicContact CZ-OD2 3.77Å; R157-D268 IonicContact NH1-OD1 2.78Å; R157-D268 IonicContact NH1-OD2 3.03Å; R157-D268 PolarHBondContact NH1-OD2 2.88Å; R157-D268 IonicContact NH2-OD1 2.72Å; R157-D268 PolarHBondContact NH2-OD1 3.34Å; R157-D268 VanDerWaalsContact NH2-OD1 3.08Å; R157-D268 IonicContact NH2-OD2 2.75Å; R157-D268 PolarHBondContact NH2-OD2 3.1Å
158	C	91.5	Very high	91.1	Very high	29 Å²	29	49.2 Å²	49.2	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-28.8	175.7	-66.2	0	0	0	0	113.4	L154 L155 Y161 T163 M191	L154-C158 PolarHBondContact O-N 3.26Å; L154-C158 PolarHBondContact O-SG 3.05Å; L155-C158 PolarHBondContact O-N 2.92Å; C158-Y161 VanDerWaalsContact O-O 3.12Å; C158-T163 HydrophobicContact CB-CG2 3.74Å; C158-T163 VanDerWaalsContact SG-CG2 3.6Å; C158-M191 HydrophobicContact CB-CE 4.39Å; C158-M191 WeakPolarHBondContact SG-CE 3.36Å
159	A	91.1	Very high	91.1	Very high	91 Å²	91	46.1 Å²	46.1	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-74	-31.7	175.3	0	0	0	0	0	112.4	L155 D156 R157	L155-A159 PolarHBondContact O-N 3.41Å; D156-A159 PolarHBondContact O-N 2.83Å; R157-A159 VanDerWaalsContact C-N 3.3Å; R157-A159 PolarHBondContact O-N 3.31Å
160	A	87.7	Confident	91.1	Very high	69 Å²	69	46.1 Å²	46.1	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-91.1	-24.9	-175.8	0	0	0	0	0	114.2	D156 R157	D156-A160 PolarHBondContact O-N 3.31Å; D156-A160 VanDerWaalsContact O-N 3.15Å; R157-A160 PolarHBondContact O-N 2.67Å
161	Y	84.1	Confident	91.1	Very high	121 Å²	121	46.1 Å²	46.1	48%	0.475	27%	0.271	S	S	.	.	S	Bend	trans	-135.7	158.6	-172.6	-57.9	-88.8	0	0	0	111.9	R157 C158 T163 D268	R157-Y161 HydrophobicContact CG-CD2 4.46Å; R157-Y161 PolarHBondContact O-N 2.72Å; C158-Y161 VanDerWaalsContact O-O 3.12Å; Y161-T163 PolarHBondContact O-N 2.86Å; Y161-D268 WeakPolarHBondContact CE1-OD2 3.43Å; Y161-D268 PolarHBondContact OH-OD2 3.02Å
162	S	75.8	Confident	91.1	Very high	94 Å²	94	44.6 Å²	44.6	66%	0.657	27%	0.271	S	S	*	.			trans	-60.6	135.4	169.5	-176	0	0	0	0	109.8	D164	S162-D164 PolarHBondContact O-N 2.91Å; S162-D164 PolarHBondContact OG-N 2.85Å
163	T	67.6	Low	91	Very high	68 Å²	68	41.2 Å²	41.2	42%	0.417	26%	0.257	S	S	.	.			trans	-76.9	-2.1	-179.9	56	0	0	0	0	113.6	C158 Y161 S165	C158-T163 HydrophobicContact CB-CG2 3.74Å; C158-T163 VanDerWaalsContact SG-CG2 3.6Å; Y161-T163 PolarHBondContact O-N 2.86Å; T163-S165 PolarHBondContact O-N 3.03Å
164	D	68.7	Low	91	Very high	121 Å²	121	41.6 Å²	41.6	65%	0.647	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	100.4	-179.4	-72.6	-27.2	0	0	0	110.1	S162	S162-D164 PolarHBondContact O-N 2.91Å; S162-D164 PolarHBondContact OG-N 2.85Å
165	S	83.6	Confident	91	Very high	72 Å²	72	43.9 Å²	43.9	50%	0.503	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	74.9	175.5	-162.7	0	0	0	0	114.9	T163	T163-S165 PolarHBondContact O-N 3.03Å
166	M	94.3	Very high	91.1	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.054	25%	0.252	C	S	.	.			trans	-89.3	144.4	167	-169.9	-177.2	-63.5	0	0	110.7	L154 R157 V194 E195 D238 I239	L154-M166 HydrophobicContact CD1-CE 3.98Å; L154-M166 HydrophobicContact CD1-SD 3.52Å; L154-M166 VanDerWaalsContact CD1-SD 3.52Å; R157-M166 HydrophobicContact CB-CE 3.88Å; R157-M166 HydrophobicContact CG-CE 3.55Å; R157-M166 HydrophobicContact CG-SD 4.36Å; M166-V194 HydrophobicContact CB-CG1 4.29Å; M166-V194 HydrophobicContact CB-CG2 4.13Å; M166-V194 CarbonylContact O-C 3.53Å; M166-V194 WeakPolarHBondContact O-CA 3.47Å; M166-E195 PolarHBondContact O-N 3.38Å; M166-D238 WeakPolarHBondContact CA-OD2 3.32Å; M166-D238 HydrophobicContact CG-CB 3.57Å; M166-D238 WeakPolarHBondContact CG-OD2 3.36Å; M166-D238 HydrophobicContact SD-CB 4.37Å; M166-I239 HydrophobicContact SD-CD1 4.18Å
167	V	97.4	Very high	91.2	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.9	175	-178.1	0	0	0	0	110	M169 E195 Y197 V235 D238 I239	V167-M169 HydrophobicContact CG1-CE 3.95Å; V167-M169 HydrophobicContact CG1-CG 4.23Å; V167-E195 WeakPolarHBondContact CA-O 3.44Å; V167-E195 HydrophobicContact CG2-CB 4.34Å; V167-Y197 HydrophobicContact CG1-CD2 4Å; V167-Y197 HydrophobicContact CG1-CE2 4.06Å; V167-V235 HydrophobicContact CG1-CG2 4.29Å; V167-V235 HydrophobicContact CG2-CB 4.49Å; V167-D238 PolarHBondContact N-OD2 3.07Å; V167-D238 PolarHBondContact O-N 3.18Å; V167-I239 PolarHBondContact O-N 3.08Å
168	V	98.4	Very high	91.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	173	-179.6	0	0	0	0	109.4	F150 V182 V194 E195 V196 Y197 I239 I241	F150-V168 HydrophobicContact CE2-CG1 3.9Å; F150-V168 HydrophobicContact CE2-CG2 3.94Å; F150-V168 HydrophobicContact CZ-CG1 4.24Å; F150-V168 HydrophobicContact CZ-CG2 4.04Å; V168-V182 HydrophobicContact CG1-CG1 4.01Å; V168-V182 HydrophobicContact CG1-CG2 4.24Å; V168-V194 HydrophobicContact CB-CG1 4.41Å; V168-V194 HydrophobicContact CG2-CG1 3.67Å; V168-E195 PolarHBondContact N-O 3.3Å; V168-V196 HydrophobicContact CB-CG2 4.2Å; V168-V196 WeakPolarHBondContact O-CA 3.05Å; V168-Y197 PolarHBondContact O-N 3.46Å; V168-I239 WeakPolarHBondContact CA-O 3.46Å; V168-I239 HydrophobicContact CG2-CB 4.36Å; V168-I241 HydrophobicContact CG1-CD1 4.04Å; V168-I241 HydrophobicContact CG1-CG1 4.45Å
169	M	98.8	Very high	91.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.5	177.3	-62.3	-171.4	-179.8	0	0	110.1	V167 V171 Y197 I199 L233 V235 A237 I239 M240 I241 L264	V167-M169 HydrophobicContact CG1-CE 3.95Å; V167-M169 HydrophobicContact CG1-CG 4.23Å; M169-V171 HydrophobicContact CB-CG1 4.49Å; M169-Y197 HydrophobicContact CG-CG 4.44Å; M169-I199 HydrophobicContact SD-CD1 4.12Å; M169-L233 HydrophobicContact CE-CD1 3.69Å; M169-L233 HydrophobicContact SD-CD1 4.06Å; M169-V235 HydrophobicContact CE-CG2 4.13Å; M169-V235 WeakPolarHBondContact CE-O 3.44Å; M169-A237 HydrophobicContact CB-CB 4.04Å; M169-A237 HydrophobicContact CE-CB 4.31Å; M169-A237 HydrophobicContact CG-CB 3.63Å; M169-A237 HydrophobicContact SD-CB 3.84Å; M169-I239 PolarHBondContact N-O 3.48Å; M169-M240 CarbonylContact O-C 3.51Å; M169-M240 WeakPolarHBondContact O-CA 3.47Å; M169-I241 PolarHBondContact O-N 3.21Å; M169-L264 HydrophobicContact SD-CB 4.05Å
170	V	98.9	Very high	92.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.4	166.2	-176.1	0	0	0	0	107.5	A173 L178 V179 V182 Y197 I199 I241	V170-A173 HydrophobicContact CG1-CB 4.03Å; V170-L178 HydrophobicContact CG1-CB 3.85Å; V170-L178 HydrophobicContact CG1-CD1 4.34Å; V170-V179 HydrophobicContact CB-CG2 4.11Å; V170-V179 HydrophobicContact CG1-CG2 4.23Å; V170-V179 HydrophobicContact CG2-CG2 4.11Å; V170-V182 HydrophobicContact CG2-CG2 4.09Å; V170-Y197 PolarHBondContact N-O 2.94Å; V170-I199 PolarHBondContact O-N 3.17Å; V170-I241 CarbonylContact C-O 3.53Å; V170-I241 WeakPolarHBondContact CA-O 3.33Å
171	V	98.6	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.6	180	-61.2	0	0	0	0	110	M169 I199 M228 M240 I241 S242 L258	M169-V171 HydrophobicContact CB-CG1 4.49Å; V171-I199 HydrophobicContact CG1-CB 4.42Å; V171-I199 HydrophobicContact CG1-CD1 3.88Å; V171-M228 HydrophobicContact CB-CB 4.23Å; V171-M228 HydrophobicContact CB-CE 3.77Å; V171-M228 HydrophobicContact CB-SD 3.79Å; V171-M228 HydrophobicContact CG1-CB 4.37Å; V171-M228 HydrophobicContact CG2-CE 4.06Å; V171-M228 HydrophobicContact CG2-SD 3.79Å; V171-M240 HydrophobicContact CG1-CE 4.31Å; V171-M240 HydrophobicContact CG1-CG 3.96Å; V171-M240 HydrophobicContact CG1-SD 4.08Å; V171-M240 HydrophobicContact CG2-CG 3.78Å; V171-M240 HydrophobicContact CG2-SD 3.9Å; V171-I241 PolarHBondContact N-O 2.87Å; V171-S242 WeakPolarHBondContact O-CB 3.48Å; V171-L258 HydrophobicContact CG2-CD2 3.91Å
172	G	97.6	Very high	93.2	Very high	24 Å²	24	26.1 Å²	26.1	25%	0.247	17%	0.165	C	C	.	.	S	Bend	trans	73.5	55.3	-166.2	0	0	0	0	0	110.8	G174 I199	G172-G174 VanDerWaalsContact C-N 3.27Å; G172-G174 PolarHBondContact O-N 3.15Å; G172-I199 PolarHBondContact N-O 2.75Å
173	A	98.1	Very high	94.3	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.033	14%	0.139	C	C	.	.			trans	-71.2	-16.2	-169.8	0	0	0	0	0	114.8	V170 R175 G176 V179 A198 I199 E200 L209	V170-A173 HydrophobicContact CG1-CB 4.03Å; A173-R175 PolarHBondContact O-N 3.24Å; A173-G176 WeakPolarHBondContact O-CA 3.41Å; A173-G176 PolarHBondContact O-N 2.83Å; A173-V179 HydrophobicContact CB-CG2 4.13Å; A173-A198 HydrophobicContact CB-CB 3.8Å; A173-I199 PolarHBondContact N-O 2.85Å; A173-I199 VanDerWaalsContact N-O 3.08Å; A173-E200 HydrophobicContact CB-CB 4.38Å; A173-E200 PolarHBondContact N-OE2 3.32Å; A173-L209 HydrophobicContact CB-CD1 4.02Å; A173-L209 HydrophobicContact CB-CD2 4.28Å
174	G	96.5	Very high	95.8	Very high	7 Å²	7	24.2 Å²	24.2	7%	0.072	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-133.1	-175	0	0	0	0	0	111.1	G172 G176 E200 L209	G172-G174 VanDerWaalsContact C-N 3.27Å; G172-G174 PolarHBondContact O-N 3.15Å; G174-G176 VanDerWaalsContact C-N 3.25Å; G174-G176 PolarHBondContact O-N 2.97Å; G174-E200 WeakPolarHBondContact CA-OE2 3.24Å; G174-E200 PolarHBondContact N-OE2 3.23Å; G174-L209 WeakPolarHBondContact O-CD1 3.42Å; G174-L209 WeakPolarHBondContact O-CD2 3.46Å; G174-L209 VanDerWaalsContact O-CG 3.25Å; G174-L209 WeakPolarHBondContact O-CG 3.32Å
175	R	96.6	Very high	97.2	Very high	49 Å²	49	18.6 Å²	18.6	19%	0.185	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.3	174.3	-52.3	-169.2	-57.4	175.4	1.1	114.1	S130 Y133 E134 E137 A173	S130-R175 PolarHBondContact OG-NH1 3.18Å; S130-R175 VanDerWaalsContact OG-NH1 3.13Å; Y133-R175 HydrophobicContact CD1-CG 4.33Å; Y133-R175 HydrophobicContact CD2-CG 4.15Å; Y133-R175 HydrophobicContact CG-CG 3.91Å; E134-R175 VanDerWaalsContact CA-NH2 3.28Å; E137-R175 WeakPolarHBondContact OE1-CB 3.2Å; E137-R175 IonicContact OE1-CZ 3.91Å; E137-R175 IonicContact OE1-NE 3.93Å; E137-R175 PolarHBondContact OE1-NE 3.04Å; E137-R175 IonicContact OE1-NH2 2.92Å; E137-R175 PolarHBondContact OE1-NH2 3.38Å; E137-R175 VanDerWaalsContact OE1-NH2 3.1Å; E137-R175 IonicContact OE2-CZ 2.74Å; E137-R175 IonicContact OE2-NE 2.61Å; E137-R175 IonicContact OE2-NH2 3.77Å; E137-R175 PolarHBondContact OE2-NH2 2.79Å; A173-R175 PolarHBondContact O-N 3.24Å
176	G	97.8	Very high	97.8	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.021	9%	0.091	C	C	.	.	S	Bend	trans	91.6	26.2	171.5	0	0	0	0	0	119.1	A173 G174 V179 S180	A173-G176 WeakPolarHBondContact O-CA 3.41Å; A173-G176 PolarHBondContact O-N 2.83Å; G174-G176 VanDerWaalsContact C-N 3.25Å; G174-G176 PolarHBondContact O-N 2.97Å; G176-V179 WeakPolarHBondContact O-CB 3.46Å; G176-V179 PolarHBondContact O-N 2.96Å; G176-S180 PolarHBondContact O-N 3.37Å; G176-S180 PolarHBondContact O-OG 2.75Å
177	P	97.7	Very high	97.9	Very high	32 Å²	32	18 Å²	18	21%	0.208	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-42.1	174.4	27.6	-34.1	0	0	0	111.9	E137 Y143 V179 S180 V181	E137-P177 HydrophobicContact CG-CB 4.22Å; E137-P177 HydrophobicContact CG-CG 4.03Å; Y143-P177 HydrophobicContact CD1-CB 3.92Å; Y143-P177 HydrophobicContact CD1-CG 4.38Å; Y143-P177 HydrophobicContact CE1-CB 3.46Å; Y143-P177 VanDerWaalsContact CE1-CB 3.46Å; Y143-P177 HydrophobicContact CE1-CG 3.49Å; Y143-P177 VanDerWaalsContact CE1-CG 3.49Å; Y143-P177 HydrophobicContact CE2-CB 4.25Å; Y143-P177 HydrophobicContact CG-CB 4.48Å; P177-V179 VanDerWaalsContact C-N 3.34Å; P177-V179 PolarHBondContact O-N 3.5Å; P177-S180 WeakPolarHBondContact O-CB 3.39Å; P177-S180 PolarHBondContact O-N 3.29Å; P177-V181 WeakPolarHBondContact O-CG2 3.25Å; P177-V181 PolarHBondContact O-N 3.46Å
178	L	98.4	Very high	97.9	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-33.8	174.2	-75	-178	0	0	0	113.1	Y143 Y146 V170 S180 V181 V182 I241 E243	Y143-L178 HydrophobicContact CD1-CD2 4.06Å; Y143-L178 HydrophobicContact CD1-CG 4.48Å; Y143-L178 HydrophobicContact CE1-CD2 4.47Å; Y143-L178 HydrophobicContact CE1-CG 4.46Å; Y146-L178 HydrophobicContact CD1-CD2 3.77Å; Y146-L178 HydrophobicContact CD2-CD2 3.96Å; Y146-L178 HydrophobicContact CE1-CD2 4.45Å; Y146-L178 HydrophobicContact CG-CD2 3.5Å; V170-L178 HydrophobicContact CG1-CB 3.85Å; V170-L178 HydrophobicContact CG1-CD1 4.34Å; L178-S180 VanDerWaalsContact C-N 3.28Å; L178-S180 PolarHBondContact O-N 3.43Å; L178-V181 WeakPolarHBondContact O-CB 3.47Å; L178-V181 PolarHBondContact O-N 3.35Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 3.45Å; L178-I241 HydrophobicContact CD1-CG2 4.12Å; L178-E243 HydrophobicContact CD1-CB 3.82Å
179	V	98.7	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-42.3	172.8	179.9	0	0	0	0	110.1	V170 A173 G176 P177 V182 L183 A198 W217 V221	V170-V179 HydrophobicContact CB-CG2 4.11Å; V170-V179 HydrophobicContact CG1-CG2 4.23Å; V170-V179 HydrophobicContact CG2-CG2 4.11Å; A173-V179 HydrophobicContact CB-CG2 4.13Å; G176-V179 WeakPolarHBondContact O-CB 3.46Å; G176-V179 PolarHBondContact O-N 2.96Å; P177-V179 VanDerWaalsContact C-N 3.34Å; P177-V179 PolarHBondContact O-N 3.5Å; V179-V182 PolarHBondContact O-N 2.93Å; V179-L183 HydrophobicContact CG1-CD1 3.97Å; V179-L183 WeakPolarHBondContact O-CD1 3.48Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 2.88Å; V179-A198 HydrophobicContact CG2-CB 3.68Å; V179-W217 HydrophobicContact CB-CH2 3.87Å; V179-W217 HydrophobicContact CB-CZ2 3.98Å; V179-W217 HydrophobicContact CB-CZ3 4.36Å; V179-W217 HydrophobicContact CG1-CD2 4.12Å; V179-W217 HydrophobicContact CG1-CE3 3.91Å; V179-W217 HydrophobicContact CG1-CH2 3.7Å; V179-W217 HydrophobicContact CG1-CZ2 3.87Å; V179-W217 HydrophobicContact CG1-CZ3 3.72Å; V179-W217 HydrophobicContact CG2-CH2 4.41Å; V179-V221 HydrophobicContact CG1-CB 4.43Å; V179-V221 HydrophobicContact CG1-CG1 3.99Å; V179-V221 HydrophobicContact CG1-CG2 3.67Å
180	S	98.1	Very high	97.5	Very high	37 Å²	37	35 Å²	35	26%	0.259	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-41.2	176.2	-57.1	0	0	0	0	112	G176 P177 L178 V182 L183 N184 W217	G176-S180 PolarHBondContact O-N 3.37Å; G176-S180 PolarHBondContact O-OG 2.75Å; P177-S180 WeakPolarHBondContact O-CB 3.39Å; P177-S180 PolarHBondContact O-N 3.29Å; L178-S180 VanDerWaalsContact C-N 3.28Å; L178-S180 PolarHBondContact O-N 3.43Å; S180-V182 PolarHBondContact O-N 3.49Å; S180-L183 PolarHBondContact O-N 3.07Å; S180-N184 WeakPolarHBondContact O-CB 3.17Å; S180-N184 PolarHBondContact O-N 3.46Å; S180-N184 PolarHBondContact O-ND2 2.63Å; S180-W217 PolarHBondContact OG-NE1 2.98Å
181	V	98.3	Very high	97.1	Very high	12 Å²	12	36.9 Å²	36.9	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-51.4	172.2	166.6	0	0	0	0	110.9	Q147 P177 L178 L183 N184 V185	Q147-V181 VanDerWaalsContact CA-CG1 3.42Å; Q147-V181 HydrophobicContact CB-CG1 3.7Å; Q147-V181 HydrophobicContact CG-CG1 4.07Å; P177-V181 WeakPolarHBondContact O-CG2 3.25Å; P177-V181 PolarHBondContact O-N 3.46Å; L178-V181 WeakPolarHBondContact O-CB 3.47Å; L178-V181 PolarHBondContact O-N 3.35Å; V181-L183 PolarHBondContact O-N 3.03Å; V181-N184 PolarHBondContact O-N 3.4Å; V181-V185 WeakPolarHBondContact O-CG2 3.33Å; V181-V185 PolarHBondContact O-N 3.5Å
182	V	98.6	Very high	96.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-46.9	179.6	166.4	0	0	0	0	111.5	F150 V168 V170 L178 V179 S180 N184 L186 V196 I241	F150-V182 HydrophobicContact CD1-CB 4.48Å; F150-V182 HydrophobicContact CD1-CG2 4.12Å; F150-V182 HydrophobicContact CE1-CB 4.07Å; F150-V182 HydrophobicContact CE1-CG1 3.93Å; F150-V182 HydrophobicContact CE1-CG2 4.03Å; F150-V182 HydrophobicContact CE2-CG2 4.45Å; F150-V182 HydrophobicContact CG-CG2 4.38Å; F150-V182 HydrophobicContact CZ-CB 4.41Å; F150-V182 HydrophobicContact CZ-CG1 3.88Å; F150-V182 HydrophobicContact CZ-CG2 4.21Å; V168-V182 HydrophobicContact CG1-CG1 4.01Å; V168-V182 HydrophobicContact CG1-CG2 4.24Å; V170-V182 HydrophobicContact CG2-CG2 4.09Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 3.45Å; V179-V182 PolarHBondContact O-N 2.93Å; S180-V182 PolarHBondContact O-N 3.49Å; V182-N184 PolarHBondContact O-N 3.07Å; V182-L186 HydrophobicContact CG1-CD1 3.56Å; V182-L186 HydrophobicContact CG1-CG 4.48Å; V182-L186 WeakPolarHBondContact O-CB 2.92Å; V182-L186 WeakPolarHBondContact O-CD1 3.21Å; V182-L186 WeakPolarHBondContact O-CG 3.25Å; V182-L186 PolarHBondContact O-N 3.37Å; V182-V196 HydrophobicContact CG1-CG1 3.93Å; V182-V196 HydrophobicContact CG1-CG2 3.92Å; V182-I241 HydrophobicContact CG2-CD1 3.43Å; V182-I241 VanDerWaalsContact CG2-CD1 3.43Å
183	L	98.3	Very high	96.4	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-43.4	178	-77.8	161	0	0	0	112.5	V179 S180 V181 L186 A187 W217 R220 V221	V179-L183 HydrophobicContact CG1-CD1 3.97Å; V179-L183 WeakPolarHBondContact O-CD1 3.48Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 2.88Å; S180-L183 PolarHBondContact O-N 3.07Å; V181-L183 PolarHBondContact O-N 3.03Å; L183-L186 PolarHBondContact O-N 2.92Å; L183-A187 WeakPolarHBondContact O-CB 3.36Å; L183-A187 PolarHBondContact O-N 2.96Å; L183-W217 HydrophobicContact CD1-CB 3.62Å; L183-W217 HydrophobicContact CD1-CD2 3.73Å; L183-W217 HydrophobicContact CD1-CG 3.25Å; L183-R220 HydrophobicContact CD2-CB 4.17Å; L183-R220 HydrophobicContact CD2-CG 4.1Å; L183-V221 HydrophobicContact CD1-CG2 3.86Å; L183-V221 HydrophobicContact CD2-CG2 4.35Å; L183-V221 HydrophobicContact CG-CG2 4.41Å
184	N	97.7	Very high	96.3	Very high	99 Å²	99	46.6 Å²	46.6	53%	0.529	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-45.7	-179.4	-71.8	-17.2	0	0	0	111.8	S180 V181 V182 A187 A188	S180-N184 WeakPolarHBondContact O-CB 3.17Å; S180-N184 PolarHBondContact O-N 3.46Å; S180-N184 PolarHBondContact O-ND2 2.63Å; V181-N184 PolarHBondContact O-N 3.4Å; V182-N184 PolarHBondContact O-N 3.07Å; N184-A187 PolarHBondContact O-N 2.93Å; N184-A188 WeakPolarHBondContact O-CB 3.43Å; N184-A188 PolarHBondContact O-N 3.38Å
185	V	98.2	Very high	96.3	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-47.6	176.2	172.1	0	0	0	0	110.6	Q147 F150 E151 L154 V181 A187 A188 Q189	Q147-V185 HydrophobicContact CG-CG2 3.4Å; Q147-V185 VanDerWaalsContact CG-CG2 3.4Å; F150-V185 HydrophobicContact CD1-CB 3.72Å; F150-V185 HydrophobicContact CD1-CG1 3.75Å; F150-V185 HydrophobicContact CD1-CG2 3.95Å; F150-V185 HydrophobicContact CE1-CB 3.81Å; F150-V185 HydrophobicContact CE1-CG1 3.8Å; E151-V185 HydrophobicContact CB-CG1 3.75Å; E151-V185 HydrophobicContact CB-CG2 4.29Å; E151-V185 HydrophobicContact CG-CG1 4.07Å; L154-V185 HydrophobicContact CD2-CG1 3.86Å; V181-V185 WeakPolarHBondContact O-CG2 3.33Å; V181-V185 PolarHBondContact O-N 3.5Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 2.75Å; V185-A188 PolarHBondContact O-N 3.26Å; V185-Q189 HydrophobicContact CG1-CG 4.42Å; V185-Q189 WeakPolarHBondContact O-CB 3.26Å; V185-Q189 WeakPolarHBondContact O-CG 3.44Å; V185-Q189 PolarHBondContact O-N 2.89Å
186	L	96.9	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-37.6	-179.8	-70.4	167.3	0	0	0	112.1	F150 L154 V182 L183 Q189 R190 M191 V194 V196	F150-L186 HydrophobicContact CE1-CD1 4.47Å; F150-L186 HydrophobicContact CE1-CG 4.13Å; F150-L186 HydrophobicContact CZ-CD1 4.28Å; F150-L186 HydrophobicContact CZ-CD2 4.38Å; F150-L186 HydrophobicContact CZ-CG 4.21Å; L154-L186 HydrophobicContact CD1-CD2 4.07Å; L154-L186 HydrophobicContact CD2-CD2 3.67Å; L154-L186 HydrophobicContact CD2-CG 4.49Å; V182-L186 HydrophobicContact CG1-CD1 3.56Å; V182-L186 HydrophobicContact CG1-CG 4.48Å; V182-L186 WeakPolarHBondContact O-CB 2.92Å; V182-L186 WeakPolarHBondContact O-CD1 3.21Å; V182-L186 WeakPolarHBondContact O-CG 3.25Å; V182-L186 PolarHBondContact O-N 3.37Å; L183-L186 PolarHBondContact O-N 2.92Å; L186-Q189 CarbonylContact O-C 3.37Å; L186-Q189 PolarHBondContact O-N 3.19Å; L186-R190 PolarHBondContact O-N 3.42Å; L186-M191 HydrophobicContact CD2-CB 3.85Å; L186-M191 HydrophobicContact CD2-SD 4.19Å; L186-M191 PolarHBondContact O-N 2.69Å; L186-V194 HydrophobicContact CD1-CB 4.12Å; L186-V194 HydrophobicContact CD1-CG1 3.87Å; L186-V194 HydrophobicContact CD2-CB 3.89Å; L186-V194 HydrophobicContact CD2-CG1 4.01Å; L186-V194 HydrophobicContact CD2-CG2 3.69Å; L186-V196 HydrophobicContact CD1-CG2 3.76Å
187	A	96.3	Very high	96.4	Very high	71 Å²	71	47.1 Å²	47.1	59%	0.587	26%	0.259	S	S	*	.	H	α-helix	trans	-65.9	-43.6	173.9	0	0	0	0	0	112	L183 N184 V185 Q189 R190	L183-A187 WeakPolarHBondContact O-CB 3.36Å; L183-A187 PolarHBondContact O-N 2.96Å; N184-A187 PolarHBondContact O-N 2.93Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 2.75Å; A187-Q189 VanDerWaalsContact C-N 3.3Å; A187-Q189 PolarHBondContact O-N 2.96Å; A187-R190 PolarHBondContact O-N 3.01Å
188	A	97.2	Very high	96.5	Very high	72 Å²	72	45.6 Å²	45.6	60%	0.595	25%	0.249	S	C	*	.	H	α-helix	trans	-61	-39.8	176.7	0	0	0	0	0	112	N184 V185 R190	N184-A188 WeakPolarHBondContact O-CB 3.43Å; N184-A188 PolarHBondContact O-N 3.38Å; V185-A188 PolarHBondContact O-N 3.26Å; A188-R190 PolarHBondContact O-N 3.06Å
189	Q	94.8	Very high	96.5	Very high	67 Å²	67	45.2 Å²	45.2	31%	0.313	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	2.8	175.9	-60.6	-57.1	-31	0	0	113.7	E151 L154 V185 L186 A187 M191	E151-Q189 PolarHBondContact OE1-NE2 3.23Å; L154-Q189 HydrophobicContact CD2-CG 4.4Å; V185-Q189 HydrophobicContact CG1-CG 4.42Å; V185-Q189 WeakPolarHBondContact O-CB 3.26Å; V185-Q189 WeakPolarHBondContact O-CG 3.44Å; V185-Q189 PolarHBondContact O-N 2.89Å; L186-Q189 CarbonylContact O-C 3.37Å; L186-Q189 PolarHBondContact O-N 3.19Å; A187-Q189 VanDerWaalsContact C-N 3.3Å; A187-Q189 PolarHBondContact O-N 2.96Å; Q189-M191 HydrophobicContact CB-CE 4.19Å; Q189-M191 HydrophobicContact CB-CG 3.99Å; Q189-M191 HydrophobicContact CB-SD 4.27Å; Q189-M191 PolarHBondContact O-N 3.03Å
190	R	94.1	Very high	96.4	Very high	223 Å²	223	45.8 Å²	45.8	84%	0.842	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	33.4	-178.7	-55.8	179.1	-178.7	161.6	1	113.6	L186 A187 A188 T192	L186-R190 PolarHBondContact O-N 3.42Å; A187-R190 PolarHBondContact O-N 3.01Å; A188-R190 PolarHBondContact O-N 3.06Å; R190-T192 PolarHBondContact O-N 2.72Å
191	M	91.2	Very high	96.3	Very high	40 Å²	40	46 Å²	46	20%	0.197	25%	0.247	C	C	.	.			trans	-94.4	98.4	-178.7	-67.7	-171.6	-179.4	0	0	111	L154 C158 L186 Q189 V194	L154-M191 HydrophobicContact CD1-SD 3.89Å; L154-M191 HydrophobicContact CD2-CE 4.5Å; L154-M191 HydrophobicContact CD2-SD 3.78Å; L154-M191 HydrophobicContact CG-CE 4.42Å; L154-M191 HydrophobicContact CG-SD 3.95Å; C158-M191 HydrophobicContact CB-CE 4.39Å; C158-M191 WeakPolarHBondContact SG-CE 3.36Å; L186-M191 HydrophobicContact CD2-CB 3.85Å; L186-M191 HydrophobicContact CD2-SD 4.19Å; L186-M191 PolarHBondContact O-N 2.69Å; Q189-M191 HydrophobicContact CB-CE 4.19Å; Q189-M191 HydrophobicContact CB-CG 3.99Å; Q189-M191 HydrophobicContact CB-SD 4.27Å; Q189-M191 PolarHBondContact O-N 3.03Å; M191-V194 HydrophobicContact CB-CG2 4.05Å; M191-V194 HydrophobicContact SD-CG2 4.5Å
192	T	89.3	Confident	96.1	Very high	119 Å²	119	45.5 Å²	45.5	73%	0.73	24%	0.243	S	C	*	.			trans	-91.4	-21.5	-179.7	54.7	0	0	0	0	113.8	R190 V194	R190-T192 PolarHBondContact O-N 2.72Å; T192-V194 VanDerWaalsContact C-N 3.3Å; T192-V194 PolarHBondContact O-N 2.81Å
193	N	91.7	Very high	96	Very high	105 Å²	105	48.2 Å²	48.2	56%	0.561	26%	0.263	S	S	*	.	S	Bend	trans	-90.5	9.5	-172.9	-62.1	-6.9	0	0	0	113.6
194	V	95.2	Very high	95.8	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	29%	0.285	C	S	.	.			trans	-89.3	118.6	177.5	-178.7	0	0	0	0	109.2	M166 V168 L186 M191 T192 V196	M166-V194 HydrophobicContact CB-CG1 4.29Å; M166-V194 HydrophobicContact CB-CG2 4.13Å; M166-V194 CarbonylContact O-C 3.53Å; M166-V194 WeakPolarHBondContact O-CA 3.47Å; V168-V194 HydrophobicContact CB-CG1 4.41Å; V168-V194 HydrophobicContact CG2-CG1 3.67Å; L186-V194 HydrophobicContact CD1-CB 4.12Å; L186-V194 HydrophobicContact CD1-CG1 3.87Å; L186-V194 HydrophobicContact CD2-CB 3.89Å; L186-V194 HydrophobicContact CD2-CG1 4.01Å; L186-V194 HydrophobicContact CD2-CG2 3.69Å; M191-V194 HydrophobicContact CB-CG2 4.05Å; M191-V194 HydrophobicContact SD-CG2 4.5Å; T192-V194 VanDerWaalsContact C-N 3.3Å; T192-V194 PolarHBondContact O-N 2.81Å; V194-V196 HydrophobicContact CG1-CG2 4.17Å
195	E	96.8	Very high	95.7	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.257	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.4	174	-57.7	-162.5	145.2	0	0	109.7	M166 V167 V168 Y197 R222	M166-E195 PolarHBondContact O-N 3.38Å; V167-E195 WeakPolarHBondContact CA-O 3.44Å; V167-E195 HydrophobicContact CG2-CB 4.34Å; V168-E195 PolarHBondContact N-O 3.3Å; E195-Y197 HydrophobicContact CB-CE2 4.33Å; E195-R222 IonicContact OE1-CZ 3.49Å; E195-R222 IonicContact OE1-NH1 3.64Å; E195-R222 PolarHBondContact OE1-NH1 3.02Å; E195-R222 VanDerWaalsContact OE1-NH1 3.12Å; E195-R222 IonicContact OE1-NH2 2.67Å; E195-R222 PolarHBondContact OE1-NH2 2.9Å; E195-R222 IonicContact OE2-CZ 3.1Å; E195-R222 IonicContact OE2-NH1 3.33Å; E195-R222 PolarHBondContact OE2-NH1 3.4Å; E195-R222 IonicContact OE2-NH2 2.75Å
196	V	98.2	Very high	95.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.6	-179	-179.4	0	0	0	0	111.2	V168 V182 L186 V194 V221 R222	V168-V196 HydrophobicContact CB-CG2 4.2Å; V168-V196 WeakPolarHBondContact O-CA 3.05Å; V182-V196 HydrophobicContact CG1-CG1 3.93Å; V182-V196 HydrophobicContact CG1-CG2 3.92Å; L186-V196 HydrophobicContact CD1-CG2 3.76Å; V194-V196 HydrophobicContact CG1-CG2 4.17Å; V196-V221 HydrophobicContact CG1-CG1 4.27Å; V196-V221 WeakPolarHBondContact O-CA 3.49Å; V196-R222 PolarHBondContact O-N 3.07Å
197	Y	98.8	Very high	95.7	Very high	11 Å²	11	53 Å²	53	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	143.3	177.2	-72.1	-106.3	0	0	0	110.3	V167 V168 M169 V170 E195 R222 V224 L233 V235	V167-Y197 HydrophobicContact CG1-CD2 4Å; V167-Y197 HydrophobicContact CG1-CE2 4.06Å; V168-Y197 PolarHBondContact O-N 3.46Å; M169-Y197 HydrophobicContact CG-CG 4.44Å; V170-Y197 PolarHBondContact N-O 2.94Å; E195-Y197 HydrophobicContact CB-CE2 4.33Å; Y197-R222 VanDerWaalsContact CA-O 3.29Å; Y197-R222 WeakPolarHBondContact CA-O 3.36Å; Y197-R222 HydrophobicContact CD1-CB 3.71Å; Y197-R222 HydrophobicContact CE1-CB 3.8Å; Y197-R222 HydrophobicContact CE1-CG 4.38Å; Y197-R222 HydrophobicContact CG-CB 4.12Å; Y197-R222 WeakPolarHBondContact OH-CD 3.24Å; Y197-R222 PolarHBondContact OH-NH1 2.97Å; Y197-V224 HydrophobicContact CD1-CG2 3.85Å; Y197-V224 HydrophobicContact CE1-CG2 4.39Å; Y197-L233 HydrophobicContact CD1-CD1 3.96Å; Y197-L233 HydrophobicContact CE1-CD1 4.11Å; Y197-L233 HydrophobicContact CE1-CD2 4.22Å; Y197-V235 HydrophobicContact CE2-CG2 3.82Å; Y197-V235 WeakPolarHBondContact OH-CG2 3.49Å
198	A	98.8	Very high	95.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.1	168.7	0	0	0	0	0	108.2	A173 V179 V221 R222 I223 V224	A173-A198 HydrophobicContact CB-CB 3.8Å; V179-A198 HydrophobicContact CG2-CB 3.68Å; A198-V221 HydrophobicContact CB-CG1 3.87Å; A198-R222 PolarHBondContact N-O 3.42Å; A198-I223 HydrophobicContact CB-CD1 3.77Å; A198-V224 PolarHBondContact O-N 2.61Å
199	I	98.8	Very high	95.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.5	179.9	-61	160.3	0	0	0	108	M169 V170 V171 G172 A173 V224 M228 V231 L233 L264	M169-I199 HydrophobicContact SD-CD1 4.12Å; V170-I199 PolarHBondContact O-N 3.17Å; V171-I199 HydrophobicContact CG1-CB 4.42Å; V171-I199 HydrophobicContact CG1-CD1 3.88Å; G172-I199 PolarHBondContact N-O 2.75Å; A173-I199 PolarHBondContact N-O 2.85Å; A173-I199 VanDerWaalsContact N-O 3.08Å; I199-V224 WeakPolarHBondContact CA-O 3.13Å; I199-V224 HydrophobicContact CG1-CB 4.02Å; I199-V224 HydrophobicContact CG1-CG1 4.45Å; I199-M228 HydrophobicContact CG2-CB 4.27Å; I199-V231 HydrophobicContact CG2-CG2 4.25Å; I199-L233 HydrophobicContact CD1-CD1 4.02Å; I199-L264 HydrophobicContact CD1-CD1 3.87Å
200	E	98.1	Very high	96	Very high	13 Å²	13	48.8 Å²	48.8	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	136.6	-179.2	176.6	51.7	-112.2	0	0	110.3	A173 G174 N202 A205 I206 L209 V224 E225 G226	A173-E200 HydrophobicContact CB-CB 4.38Å; A173-E200 PolarHBondContact N-OE2 3.32Å; G174-E200 WeakPolarHBondContact CA-OE2 3.24Å; G174-E200 PolarHBondContact N-OE2 3.23Å; E200-N202 HydrophobicContact CG-CB 4.38Å; E200-N202 WeakPolarHBondContact OE1-CB 3.38Å; E200-N202 PolarHBondContact OE1-N 3.41Å; E200-A205 HydrophobicContact CG-CB 3.79Å; E200-I206 HydrophobicContact CB-CD1 3.87Å; E200-I206 HydrophobicContact CB-CG1 4.38Å; E200-I206 HydrophobicContact CG-CD1 4.42Å; E200-I206 HydrophobicContact CG-CG1 4.41Å; E200-L209 HydrophobicContact CB-CD1 3.79Å; E200-L209 HydrophobicContact CG-CD1 4.26Å; E200-V224 PolarHBondContact N-O 2.89Å; E200-V224 VanDerWaalsContact N-O 3.07Å; E200-E225 WeakPolarHBondContact O-CA 3.37Å; E200-G226 CarbonylContact C-O 3.55Å; E200-G226 PolarHBondContact O-N 2.9Å
201	K	95.5	Very high	96.2	Very high	41 Å²	41	44.8 Å²	44.8	18%	0.178	24%	0.241	C	C	.	.			trans	-88.7	-28.4	-180	65.4	131.3	-172.9	142.5	0	112.9	P123 L124 D126 D127 S203 G226 D227	P123-K201 WeakPolarHBondContact O-CE 3.47Å; P123-K201 PolarHBondContact O-NZ 3.21Å; L124-K201 WeakPolarHBondContact O-CE 3.44Å; L124-K201 PolarHBondContact O-NZ 2.99Å; D126-K201 PolarHBondContact O-NZ 3.11Å; D127-K201 IonicContact OD1-NZ 2.65Å; D127-K201 PolarHBondContact OD1-NZ 3.44Å; K201-S203 PolarHBondContact O-N 3.29Å; K201-G226 PolarHBondContact N-O 3.35Å; K201-D227 HydrophobicContact CB-CB 4.5Å
202	N	94.2	Very high	96.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.235	C	C	.	.			trans	-76.5	107.9	-176.8	-179.8	-8.2	0	0	0	110.1	L128 Y133 E200 N204 A205 I206	L128-N202 PolarHBondContact O-ND2 2.91Å; Y133-N202 PolarHBondContact OH-ND2 2.98Å; E200-N202 HydrophobicContact CG-CB 4.38Å; E200-N202 WeakPolarHBondContact OE1-CB 3.38Å; E200-N202 PolarHBondContact OE1-N 3.41Å; N202-N204 PolarHBondContact O-N 3.49Å; N202-N204 VanDerWaalsContact O-N 3.11Å; N202-N204 VanDerWaalsContact OD1-CB 3.31Å; N202-N204 WeakPolarHBondContact OD1-CB 3.32Å; N202-N204 PolarHBondContact OD1-N 3.07Å; N202-N204 PolarHBondContact OD1-ND2 3.31Å; N202-A205 HydrophobicContact CB-CB 4.05Å; N202-A205 WeakPolarHBondContact O-CB 3.44Å; N202-A205 PolarHBondContact O-N 3.08Å; N202-I206 PolarHBondContact O-N 2.95Å; N202-I206 VanDerWaalsContact O-N 3.08Å
203	S	95.3	Very high	96.9	Very high	59 Å²	59	38.4 Å²	38.4	41%	0.413	20%	0.203	S	C	.	.	H	α-helix	trans	-56.5	-29.5	-179.8	-53.6	0	0	0	0	113.3	K201 I206 V207 E225	K201-S203 PolarHBondContact O-N 3.29Å; S203-I206 WeakPolarHBondContact O-CB 3.47Å; S203-I206 PolarHBondContact O-N 3.43Å; S203-V207 PolarHBondContact O-N 3.45Å; S203-E225 VanDerWaalsContact CB-OE1 3.25Å; S203-E225 WeakPolarHBondContact CB-OE1 3.48Å; S203-E225 PolarHBondContact OG-OE1 2.92Å
204	N	94.8	Very high	97.2	Very high	109 Å²	109	35.6 Å²	35.6	58%	0.583	20%	0.195	S	C	*	.	H	α-helix	trans	-69.5	-38.3	176.2	-57.6	-65	0	0	0	111.8	N202 V207	N202-N204 PolarHBondContact O-N 3.49Å; N202-N204 VanDerWaalsContact O-N 3.11Å; N202-N204 VanDerWaalsContact OD1-CB 3.31Å; N202-N204 WeakPolarHBondContact OD1-CB 3.32Å; N202-N204 PolarHBondContact OD1-N 3.07Å; N202-N204 PolarHBondContact OD1-ND2 3.31Å; N204-V207 PolarHBondContact O-N 2.92Å
205	A	95.5	Very high	97.3	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-34.4	176.4	0	0	0	0	0	111.4	Y133 E200 N202 V207 S208 L209	Y133-A205 HydrophobicContact CE2-CB 4.48Å; E200-A205 HydrophobicContact CG-CB 3.79Å; N202-A205 HydrophobicContact CB-CB 4.05Å; N202-A205 WeakPolarHBondContact O-CB 3.44Å; N202-A205 PolarHBondContact O-N 3.08Å; A205-V207 VanDerWaalsContact C-N 3.27Å; A205-V207 PolarHBondContact O-N 2.85Å; A205-S208 WeakPolarHBondContact O-CA 3.26Å; A205-S208 WeakPolarHBondContact O-CB 3.46Å; A205-S208 PolarHBondContact O-N 2.77Å; A205-L209 WeakPolarHBondContact O-CG 3.45Å; A205-L209 PolarHBondContact O-N 3.26Å
206	I	97.8	Very high	97.3	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-37.6	173.6	-68.7	-73	0	0	0	112.4	E200 N202 S203 S208 L209 N210 I223 E225	E200-I206 HydrophobicContact CB-CD1 3.87Å; E200-I206 HydrophobicContact CB-CG1 4.38Å; E200-I206 HydrophobicContact CG-CD1 4.42Å; E200-I206 HydrophobicContact CG-CG1 4.41Å; N202-I206 PolarHBondContact O-N 2.95Å; N202-I206 VanDerWaalsContact O-N 3.08Å; S203-I206 WeakPolarHBondContact O-CB 3.47Å; S203-I206 PolarHBondContact O-N 3.43Å; I206-S208 VanDerWaalsContact C-N 3.32Å; I206-S208 PolarHBondContact O-N 3.44Å; I206-L209 HydrophobicContact CD1-CD1 4.15Å; I206-L209 PolarHBondContact O-N 3.05Å; I206-N210 WeakPolarHBondContact CG2-ND2 3.47Å; I206-N210 WeakPolarHBondContact O-CB 3.47Å; I206-N210 PolarHBondContact O-N 2.79Å; I206-N210 PolarHBondContact O-ND2 2.83Å; I206-I223 HydrophobicContact CD1-CG2 3.81Å; I206-E225 HydrophobicContact CD1-CB 3.79Å; I206-E225 HydrophobicContact CD1-CG 4.31Å; I206-E225 HydrophobicContact CG1-CB 3.93Å; I206-E225 HydrophobicContact CG1-CG 3.94Å; I206-E225 HydrophobicContact CG2-CB 4.43Å
207	V	97.6	Very high	97.3	Very high	102 Å²	102	47.5 Å²	47.5	62%	0.618	24%	0.243	S	C	*	.	H	α-helix	trans	-60.1	-44.1	173.8	178.7	0	0	0	0	111	S203 N204 A205 N210 Y211	S203-V207 PolarHBondContact O-N 3.45Å; N204-V207 PolarHBondContact O-N 2.92Å; A205-V207 VanDerWaalsContact C-N 3.27Å; A205-V207 PolarHBondContact O-N 2.85Å; V207-N210 PolarHBondContact O-N 2.9Å; V207-Y211 PolarHBondContact O-N 3.4Å; V207-Y211 VanDerWaalsContact O-N 3.07Å
208	S	97.2	Very high	97.1	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-39.5	178.2	-59.2	0	0	0	0	112	A205 I206 Y211 S212	A205-S208 WeakPolarHBondContact O-CA 3.26Å; A205-S208 WeakPolarHBondContact O-CB 3.46Å; A205-S208 PolarHBondContact O-N 2.77Å; I206-S208 VanDerWaalsContact C-N 3.32Å; I206-S208 PolarHBondContact O-N 3.44Å; S208-Y211 PolarHBondContact O-N 3.1Å; S208-S212 WeakPolarHBondContact O-CB 3.38Å; S208-S212 PolarHBondContact O-N 3.49Å; S208-S212 PolarHBondContact O-OG 3.05Å; S208-S212 VanDerWaalsContact O-OG 3.1Å
209	L	98.5	Very high	97	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-46.2	176.8	-71.8	174.3	0	0	0	111.8	A173 G174 E200 A205 I206 Y211 S212 N213 W217 I223	A173-L209 HydrophobicContact CB-CD1 4.02Å; A173-L209 HydrophobicContact CB-CD2 4.28Å; G174-L209 WeakPolarHBondContact O-CD1 3.42Å; G174-L209 WeakPolarHBondContact O-CD2 3.46Å; G174-L209 VanDerWaalsContact O-CG 3.25Å; G174-L209 WeakPolarHBondContact O-CG 3.32Å; E200-L209 HydrophobicContact CB-CD1 3.79Å; E200-L209 HydrophobicContact CG-CD1 4.26Å; A205-L209 WeakPolarHBondContact O-CG 3.45Å; A205-L209 PolarHBondContact O-N 3.26Å; I206-L209 HydrophobicContact CD1-CD1 4.15Å; I206-L209 PolarHBondContact O-N 3.05Å; L209-Y211 PolarHBondContact O-N 3.35Å; L209-S212 PolarHBondContact O-N 3.34Å; L209-N213 VanDerWaalsContact O-CB 3.32Å; L209-N213 WeakPolarHBondContact O-CB 3.38Å; L209-N213 PolarHBondContact O-N 2.95Å; L209-W217 HydrophobicContact CD2-CH2 3.72Å; L209-W217 HydrophobicContact CD2-CZ3 4.12Å; L209-I223 HydrophobicContact CB-CD1 4.06Å; L209-I223 HydrophobicContact CB-CG1 4.42Å; L209-I223 HydrophobicContact CB-CG2 4.01Å; L209-I223 HydrophobicContact CD1-CG2 4.28Å
210	N	98.5	Very high	96.9	Very high	81 Å²	81	62.4 Å²	62.4	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-43.1	177	-79.7	-51.1	0	0	0	112.1	I206 V207 N213 A214	I206-N210 WeakPolarHBondContact CG2-ND2 3.47Å; I206-N210 WeakPolarHBondContact O-CB 3.47Å; I206-N210 PolarHBondContact O-N 2.79Å; I206-N210 PolarHBondContact O-ND2 2.83Å; V207-N210 PolarHBondContact O-N 2.9Å; N210-N213 PolarHBondContact O-N 3.39Å; N210-A214 PolarHBondContact O-N 2.93Å
211	Y	98.1	Very high	97	Very high	140 Å²	140	62 Å²	62	55%	0.549	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-49.3	175.6	177.4	-94.5	0	0	0	111.6	V207 S208 L209 N213 A214 M215	V207-Y211 PolarHBondContact O-N 3.4Å; V207-Y211 VanDerWaalsContact O-N 3.07Å; S208-Y211 PolarHBondContact O-N 3.1Å; L209-Y211 PolarHBondContact O-N 3.35Å; Y211-N213 VanDerWaalsContact C-N 3.3Å; Y211-N213 PolarHBondContact O-N 3.34Å; Y211-A214 PolarHBondContact O-N 3.06Å; Y211-M215 HydrophobicContact CD2-CG 4.06Å; Y211-M215 HydrophobicContact CE1-CB 4.39Å; Y211-M215 HydrophobicContact CE1-CG 4.27Å; Y211-M215 HydrophobicContact CE2-CG 3.72Å; Y211-M215 HydrophobicContact CG-CG 4.48Å; Y211-M215 WeakPolarHBondContact O-CB 3.28Å; Y211-M215 WeakPolarHBondContact O-CG 3.37Å; Y211-M215 PolarHBondContact O-N 3.48Å
212	S	98	Very high	97.1	Very high	11 Å²	11	65.7 Å²	65.7	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-39.4	176.5	-69	0	0	0	0	112.1	S208 L209 R216 W217	S208-S212 WeakPolarHBondContact O-CB 3.38Å; S208-S212 PolarHBondContact O-N 3.49Å; S208-S212 PolarHBondContact O-OG 3.05Å; S208-S212 VanDerWaalsContact O-OG 3.1Å; L209-S212 PolarHBondContact O-N 3.34Å; S212-R216 WeakPolarHBondContact O-CA 3.22Å; S212-R216 WeakPolarHBondContact O-CB 3.33Å; S212-R216 PolarHBondContact O-N 2.89Å; S212-W217 PolarHBondContact O-N 3.49Å
213	N	98.5	Very high	97.3	Very high	13 Å²	13	67.3 Å²	67.3	7%	0.07	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-45.1	179.2	-163	30.8	0	0	0	112.1	L209 N210 Y211 W217 N218 N219 R220 V221 I223	L209-N213 VanDerWaalsContact O-CB 3.32Å; L209-N213 WeakPolarHBondContact O-CB 3.38Å; L209-N213 PolarHBondContact O-N 2.95Å; N210-N213 PolarHBondContact O-N 3.39Å; Y211-N213 VanDerWaalsContact C-N 3.3Å; Y211-N213 PolarHBondContact O-N 3.34Å; N213-W217 VanDerWaalsContact CA-CE3 3.44Å; N213-W217 HydrophobicContact CB-CE3 3.71Å; N213-W217 HydrophobicContact CB-CZ3 4.23Å; N213-W217 CarbonylContact O-C 3.53Å; N213-W217 PolarHBondContact O-N 2.86Å; N213-N218 PolarHBondContact O-N 2.86Å; N213-N219 PolarHBondContact O-N 2.89Å; N213-N219 WeakPolarHBondContact OD1-CA 3.32Å; N213-R220 PolarHBondContact OD1-N 2.78Å; N213-V221 PolarHBondContact ND2-O 3Å; N213-V221 WeakPolarHBondContact OD1-CB 3.43Å; N213-V221 PolarHBondContact OD1-N 2.98Å; N213-V221 VanDerWaalsContact OD1-N 3.09Å; N213-V221 PolarHBondContact OD1-O 2.82Å; N213-I223 HydrophobicContact CB-CD1 4.42Å; N213-I223 HydrophobicContact CB-CG1 4.27Å
214	A	97.8	Very high	97.5	Very high	46 Å²	46	65.9 Å²	65.9	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-69.9	-40.4	178.6	0	0	0	0	0	112.9	N210 Y211	N210-A214 PolarHBondContact O-N 2.93Å; Y211-A214 PolarHBondContact O-N 3.06Å
215	M	97.3	Very high	97.6	Very high	125 Å²	125	66 Å²	66	62%	0.616	32%	0.324	S	S	*	.	H	α-helix	trans	-96.6	-25.6	-169.5	-64.4	-65.9	145.4	0	0	114.4	Y211	Y211-M215 HydrophobicContact CD2-CG 4.06Å; Y211-M215 HydrophobicContact CE1-CB 4.39Å; Y211-M215 HydrophobicContact CE1-CG 4.27Å; Y211-M215 HydrophobicContact CE2-CG 3.72Å; Y211-M215 HydrophobicContact CG-CG 4.48Å; Y211-M215 WeakPolarHBondContact O-CB 3.28Å; Y211-M215 WeakPolarHBondContact O-CG 3.37Å; Y211-M215 PolarHBondContact O-N 3.48Å
216	R	96.4	Very high	97.7	Very high	174 Å²	174	66.8 Å²	66.8	66%	0.657	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-32.6	-170.2	-56.7	-178.8	-178.4	175.4	-0.5	113.5	S212	S212-R216 WeakPolarHBondContact O-CA 3.22Å; S212-R216 WeakPolarHBondContact O-CB 3.33Å; S212-R216 PolarHBondContact O-N 2.89Å
217	W	97.5	Very high	97.6	Very high	18 Å²	18	67.9 Å²	67.9	7%	0.068	34%	0.338	C	S	.	.	S	Bend	trans	-103.5	9.9	-175.2	-46.9	-34	0	0	0	113.8	V179 S180 L183 L209 S212 N213 N219 R220 V221 I223	V179-W217 HydrophobicContact CB-CH2 3.87Å; V179-W217 HydrophobicContact CB-CZ2 3.98Å; V179-W217 HydrophobicContact CB-CZ3 4.36Å; V179-W217 HydrophobicContact CG1-CD2 4.12Å; V179-W217 HydrophobicContact CG1-CE3 3.91Å; V179-W217 HydrophobicContact CG1-CH2 3.7Å; V179-W217 HydrophobicContact CG1-CZ2 3.87Å; V179-W217 HydrophobicContact CG1-CZ3 3.72Å; V179-W217 HydrophobicContact CG2-CH2 4.41Å; S180-W217 PolarHBondContact OG-NE1 2.98Å; L183-W217 HydrophobicContact CD1-CB 3.62Å; L183-W217 HydrophobicContact CD1-CD2 3.73Å; L183-W217 HydrophobicContact CD1-CG 3.25Å; L209-W217 HydrophobicContact CD2-CH2 3.72Å; L209-W217 HydrophobicContact CD2-CZ3 4.12Å; S212-W217 PolarHBondContact O-N 3.49Å; N213-W217 VanDerWaalsContact CA-CE3 3.44Å; N213-W217 HydrophobicContact CB-CE3 3.71Å; N213-W217 HydrophobicContact CB-CZ3 4.23Å; N213-W217 CarbonylContact O-C 3.53Å; N213-W217 PolarHBondContact O-N 2.86Å; W217-N219 PolarHBondContact O-N 3.14Å; W217-N219 VanDerWaalsContact O-N 3.15Å; W217-R220 WeakPolarHBondContact O-CB 3.42Å; W217-R220 PolarHBondContact O-N 3.02Å; W217-V221 HydrophobicContact CB-CG2 4.13Å; W217-V221 HydrophobicContact CD2-CG2 4.12Å; W217-V221 HydrophobicContact CE3-CB 4.08Å; W217-V221 HydrophobicContact CE3-CG2 3.66Å; W217-V221 HydrophobicContact CG-CG2 4.37Å; W217-V221 HydrophobicContact CZ3-CG2 4.42Å; W217-I223 HydrophobicContact CZ3-CD1 4.11Å
218	N	95.6	Very high	97.6	Very high	143 Å²	143	63.8 Å²	63.8	77%	0.765	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.4	178.3	-62.3	-36.9	0	0	0	113.6	N213 R220	N213-N218 PolarHBondContact O-N 2.86Å; N218-R220 PolarHBondContact O-N 3.29Å
219	N	97.1	Very high	97.5	Very high	114 Å²	114	64.4 Å²	64.4	61%	0.61	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	26.4	-175.3	-58.6	-64.7	0	0	0	114.4	N213 W217 V221	N213-N219 PolarHBondContact O-N 2.89Å; N213-N219 WeakPolarHBondContact OD1-CA 3.32Å; W217-N219 PolarHBondContact O-N 3.14Å; W217-N219 VanDerWaalsContact O-N 3.15Å; N219-V221 VanDerWaalsContact C-N 3.28Å; N219-V221 PolarHBondContact O-N 3.48Å
220	R	96.5	Very high	97.4	Very high	68 Å²	68	68.5 Å²	68.5	26%	0.257	34%	0.338	S	S	.	.			trans	-73.5	-20.9	179.9	-164.9	-77.6	-145.8	134.4	8.5	112.5	L183 N213 W217 N218	L183-R220 HydrophobicContact CD2-CB 4.17Å; L183-R220 HydrophobicContact CD2-CG 4.1Å; N213-R220 PolarHBondContact OD1-N 2.78Å; W217-R220 WeakPolarHBondContact O-CB 3.42Å; W217-R220 PolarHBondContact O-N 3.02Å; N218-R220 PolarHBondContact O-N 3.29Å
221	V	98.5	Very high	97.4	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.4	-173.3	-169.2	0	0	0	0	110.4	V179 L183 V196 A198 N213 W217 N219 I223	V179-V221 HydrophobicContact CG1-CB 4.43Å; V179-V221 HydrophobicContact CG1-CG1 3.99Å; V179-V221 HydrophobicContact CG1-CG2 3.67Å; L183-V221 HydrophobicContact CD1-CG2 3.86Å; L183-V221 HydrophobicContact CD2-CG2 4.35Å; L183-V221 HydrophobicContact CG-CG2 4.41Å; V196-V221 HydrophobicContact CG1-CG1 4.27Å; V196-V221 WeakPolarHBondContact O-CA 3.49Å; A198-V221 HydrophobicContact CB-CG1 3.87Å; N213-V221 PolarHBondContact ND2-O 3Å; N213-V221 WeakPolarHBondContact OD1-CB 3.43Å; N213-V221 PolarHBondContact OD1-N 2.98Å; N213-V221 VanDerWaalsContact OD1-N 3.09Å; N213-V221 PolarHBondContact OD1-O 2.82Å; W217-V221 HydrophobicContact CB-CG2 4.13Å; W217-V221 HydrophobicContact CD2-CG2 4.12Å; W217-V221 HydrophobicContact CE3-CB 4.08Å; W217-V221 HydrophobicContact CE3-CG2 3.66Å; W217-V221 HydrophobicContact CG-CG2 4.37Å; W217-V221 HydrophobicContact CZ3-CG2 4.42Å; N219-V221 VanDerWaalsContact C-N 3.28Å; N219-V221 PolarHBondContact O-N 3.48Å; V221-I223 HydrophobicContact CB-CD1 4.05Å; V221-I223 HydrophobicContact CG1-CD1 3.65Å
222	R	98.4	Very high	97.2	Very high	117 Å²	117	65.5 Å²	65.5	44%	0.442	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.7	167.7	-68.8	-179.5	-178.7	146.2	11.2	108.8	E195 V196 Y197 A198	E195-R222 IonicContact OE1-CZ 3.49Å; E195-R222 IonicContact OE1-NH1 3.64Å; E195-R222 PolarHBondContact OE1-NH1 3.02Å; E195-R222 VanDerWaalsContact OE1-NH1 3.12Å; E195-R222 IonicContact OE1-NH2 2.67Å; E195-R222 PolarHBondContact OE1-NH2 2.9Å; E195-R222 IonicContact OE2-CZ 3.1Å; E195-R222 IonicContact OE2-NH1 3.33Å; E195-R222 PolarHBondContact OE2-NH1 3.4Å; E195-R222 IonicContact OE2-NH2 2.75Å; V196-R222 PolarHBondContact O-N 3.07Å; Y197-R222 VanDerWaalsContact CA-O 3.29Å; Y197-R222 WeakPolarHBondContact CA-O 3.36Å; Y197-R222 HydrophobicContact CD1-CB 3.71Å; Y197-R222 HydrophobicContact CE1-CB 3.8Å; Y197-R222 HydrophobicContact CE1-CG 4.38Å; Y197-R222 HydrophobicContact CG-CB 4.12Å; Y197-R222 WeakPolarHBondContact OH-CD 3.24Å; Y197-R222 PolarHBondContact OH-NH1 2.97Å; A198-R222 PolarHBondContact N-O 3.42Å
223	I	98.7	Very high	97.2	Very high	36 Å²	36	66.3 Å²	66.3	19%	0.185	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.6	178.1	-50.8	-54.4	0	0	0	108.9	A198 I206 L209 N213 W217 V221	A198-I223 HydrophobicContact CB-CD1 3.77Å; I206-I223 HydrophobicContact CD1-CG2 3.81Å; L209-I223 HydrophobicContact CB-CD1 4.06Å; L209-I223 HydrophobicContact CB-CG1 4.42Å; L209-I223 HydrophobicContact CB-CG2 4.01Å; L209-I223 HydrophobicContact CD1-CG2 4.28Å; N213-I223 HydrophobicContact CB-CD1 4.42Å; N213-I223 HydrophobicContact CB-CG1 4.27Å; W217-I223 HydrophobicContact CZ3-CD1 4.11Å; V221-I223 HydrophobicContact CB-CD1 4.05Å; V221-I223 HydrophobicContact CG1-CD1 3.65Å
224	V	98.5	Very high	97.1	Very high	28 Å²	28	71.7 Å²	71.7	17%	0.17	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.5	-179.3	-178.2	0	0	0	0	108.6	Y197 A198 I199 E200 V231 L233	Y197-V224 HydrophobicContact CD1-CG2 3.85Å; Y197-V224 HydrophobicContact CE1-CG2 4.39Å; A198-V224 PolarHBondContact O-N 2.61Å; I199-V224 WeakPolarHBondContact CA-O 3.13Å; I199-V224 HydrophobicContact CG1-CB 4.02Å; I199-V224 HydrophobicContact CG1-CG1 4.45Å; E200-V224 PolarHBondContact N-O 2.89Å; E200-V224 VanDerWaalsContact N-O 3.07Å; V224-V231 HydrophobicContact CG1-CG1 3.83Å; V224-V231 HydrophobicContact CG1-CG2 4.2Å; V224-L233 HydrophobicContact CG1-CD2 4.45Å; V224-L233 HydrophobicContact CG2-CD2 4.17Å
225	E	98	Very high	97.1	Very high	111 Å²	111	71.6 Å²	71.6	52%	0.519	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.4	171.7	-179.2	169.4	-165	0	0	109.8	E200 S203 I206	E200-E225 WeakPolarHBondContact O-CA 3.37Å; S203-E225 VanDerWaalsContact CB-OE1 3.25Å; S203-E225 WeakPolarHBondContact CB-OE1 3.48Å; S203-E225 PolarHBondContact OG-OE1 2.92Å; I206-E225 HydrophobicContact CD1-CB 3.79Å; I206-E225 HydrophobicContact CD1-CG 4.31Å; I206-E225 HydrophobicContact CG1-CB 3.93Å; I206-E225 HydrophobicContact CG1-CG 3.94Å; I206-E225 HydrophobicContact CG2-CB 4.43Å
226	G	96.7	Very high	97.1	Very high	20 Å²	20	70.4 Å²	70.4	21%	0.206	36%	0.357	C	S	.	.	S	Bend	trans	155.2	165.5	175.6	0	0	0	0	0	113.7	E200 K201	E200-G226 CarbonylContact C-O 3.55Å; E200-G226 PolarHBondContact O-N 2.9Å; K201-G226 PolarHBondContact N-O 3.35Å
227	D	96.4	Very high	97.2	Very high	33 Å²	33	62.1 Å²	62.1	18%	0.176	33%	0.325	C	S	.	.			trans	-76	124.1	174.7	-170.3	-46.4	0	0	0	110.3	K201 R229 S230 V231	K201-D227 HydrophobicContact CB-CB 4.5Å; D227-R229 PolarHBondContact O-N 3.25Å; D227-R229 VanDerWaalsContact OD1-CB 3.26Å; D227-R229 WeakPolarHBondContact OD1-CB 3.38Å; D227-R229 VanDerWaalsContact OD1-CG 3.23Å; D227-R229 WeakPolarHBondContact OD1-CG 3.37Å; D227-R229 IonicContact OD1-CZ 3.96Å; D227-R229 PolarHBondContact OD1-N 3.12Å; D227-R229 IonicContact OD1-NE 3.89Å; D227-R229 PolarHBondContact OD1-NE 3.45Å; D227-R229 IonicContact OD1-NH2 2.71Å; D227-R229 IonicContact OD2-CZ 3.08Å; D227-R229 VanDerWaalsContact OD2-CZ 3.27Å; D227-R229 IonicContact OD2-NE 3.68Å; D227-R229 PolarHBondContact OD2-NE 2.95Å; D227-R229 VanDerWaalsContact OD2-NE 3.12Å; D227-R229 IonicContact OD2-NH2 4Å; D227-R229 PolarHBondContact OD2-NH2 3.31Å; D227-S230 PolarHBondContact O-N 2.95Å; D227-S230 PolarHBondContact O-OG 3.44Å; D227-V231 WeakPolarHBondContact O-CG2 3.37Å; D227-V231 PolarHBondContact O-N 3.44Å
228	M	97	Very high	97.2	Very high	16 Å²	16	61.7 Å²	61.7	8%	0.079	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-23.6	-178.8	69.3	-177.6	78.2	0	0	114	V171 I199 S230 M244 C257 A261 H263	V171-M228 HydrophobicContact CB-CB 4.23Å; V171-M228 HydrophobicContact CB-CE 3.77Å; V171-M228 HydrophobicContact CB-SD 3.79Å; V171-M228 HydrophobicContact CG1-CB 4.37Å; V171-M228 HydrophobicContact CG2-CE 4.06Å; V171-M228 HydrophobicContact CG2-SD 3.79Å; I199-M228 HydrophobicContact CG2-CB 4.27Å; M228-S230 VanDerWaalsContact C-N 3.26Å; M228-S230 PolarHBondContact O-N 3.17Å; M228-M244 HydrophobicContact CE-CE 3.96Å; M228-M244 HydrophobicContact CE-SD 3.34Å; M228-M244 WeakPolarHBondContact CE-SD 3.48Å; M228-M244 HydrophobicContact SD-CE 3.83Å; M228-M244 HydrophobicContact SD-SD 3.95Å; M228-C257 HydrophobicContact CE-CB 4.43Å; M228-C257 HydrophobicContact SD-CB 3.8Å; M228-A261 HydrophobicContact CB-CB 4.05Å; M228-A261 HydrophobicContact CG-CB 3.95Å; M228-A261 HydrophobicContact SD-CB 4.04Å; M228-H263 PolarHBondContact O-CE1 3.43Å
229	R	96.2	Very high	97.3	Very high	53 Å²	53	54.9 Å²	54.9	20%	0.2	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.6	178.1	-54.9	173.5	-68.6	173.7	-1	113.8	D227 G260 L445	D227-R229 PolarHBondContact O-N 3.25Å; D227-R229 VanDerWaalsContact OD1-CB 3.26Å; D227-R229 WeakPolarHBondContact OD1-CB 3.38Å; D227-R229 VanDerWaalsContact OD1-CG 3.23Å; D227-R229 WeakPolarHBondContact OD1-CG 3.37Å; D227-R229 IonicContact OD1-CZ 3.96Å; D227-R229 PolarHBondContact OD1-N 3.12Å; D227-R229 IonicContact OD1-NE 3.89Å; D227-R229 PolarHBondContact OD1-NE 3.45Å; D227-R229 IonicContact OD1-NH2 2.71Å; D227-R229 IonicContact OD2-CZ 3.08Å; D227-R229 VanDerWaalsContact OD2-CZ 3.27Å; D227-R229 IonicContact OD2-NE 3.68Å; D227-R229 PolarHBondContact OD2-NE 2.95Å; D227-R229 VanDerWaalsContact OD2-NE 3.12Å; D227-R229 IonicContact OD2-NH2 4Å; D227-R229 PolarHBondContact OD2-NH2 3.31Å; R229-G260 WeakPolarHBondContact CA-O 3.47Å; R229-L445 PolarHBondContact NH1-O 3.04Å; R229-L445 PolarHBondContact NH2-O 3.27Å
230	S	96.3	Very high	97.4	Very high	87 Å²	87	49.7 Å²	49.7	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	-21.4	-172.2	65.8	0	0	0	0	114.1	D227 M228 D232	D227-S230 PolarHBondContact O-N 2.95Å; D227-S230 PolarHBondContact O-OG 3.44Å; M228-S230 VanDerWaalsContact C-N 3.26Å; M228-S230 PolarHBondContact O-N 3.17Å; S230-D232 PolarHBondContact O-N 3.36Å
231	V	96.8	Very high	97.5	Very high	15 Å²	15	46.6 Å²	46.6	9%	0.091	25%	0.249	C	C	.	.			trans	-57.4	130.5	175.2	162.7	0	0	0	0	109.4	I199 V224 D227 L233 H263	I199-V231 HydrophobicContact CG2-CG2 4.25Å; V224-V231 HydrophobicContact CG1-CG1 3.83Å; V224-V231 HydrophobicContact CG1-CG2 4.2Å; D227-V231 WeakPolarHBondContact O-CG2 3.37Å; D227-V231 PolarHBondContact O-N 3.44Å; V231-L233 HydrophobicContact CG1-CD1 4.19Å; V231-L233 HydrophobicContact CG1-CD2 4.17Å; V231-L233 HydrophobicContact CG1-CG 3.79Å; V231-H263 PolarHBondContact O-NE2 3.45Å
232	D	95.7	Very high	97.5	Very high	142 Å²	142	46.4 Å²	46.4	76%	0.759	25%	0.248	S	C	*	.			trans	-111.4	128	174.1	-172.5	23.3	0	0	0	109.3	S230	S230-D232 PolarHBondContact O-N 3.36Å
233	L	97.5	Very high	97.5	Very high	28 Å²	28	42.6 Å²	42.6	15%	0.147	24%	0.235	C	C	.	.			trans	-128.7	142.8	-177.6	-67.7	177.9	0	0	0	110.1	M169 Y197 I199 V224 V231 V235 L264	M169-L233 HydrophobicContact CE-CD1 3.69Å; M169-L233 HydrophobicContact SD-CD1 4.06Å; Y197-L233 HydrophobicContact CD1-CD1 3.96Å; Y197-L233 HydrophobicContact CE1-CD1 4.11Å; Y197-L233 HydrophobicContact CE1-CD2 4.22Å; I199-L233 HydrophobicContact CD1-CD1 4.02Å; V224-L233 HydrophobicContact CG1-CD2 4.45Å; V224-L233 HydrophobicContact CG2-CD2 4.17Å; V231-L233 HydrophobicContact CG1-CD1 4.19Å; V231-L233 HydrophobicContact CG1-CD2 4.17Å; V231-L233 HydrophobicContact CG1-CG 3.79Å; L233-V235 PolarHBondContact O-N 3.44Å; L233-V235 VanDerWaalsContact O-N 3.1Å; L233-L264 HydrophobicContact CB-CD2 4.18Å; L233-L264 HydrophobicContact CD1-CD2 4.29Å; L233-L264 HydrophobicContact CG-CD2 4.25Å
234	P	95.9	Very high	97.3	Very high	126 Å²	126	41.9 Å²	41.9	82%	0.818	23%	0.231	S	C	*	.	S	Bend	trans	-71.4	-6.2	-178.9	31.1	-37	0	0	0	113.5
235	V	97	Very high	97.3	Very high	44 Å²	44	40.5 Å²	40.5	27%	0.267	22%	0.223	S	C	.	.	S	Bend	trans	-128.6	151.6	-178.4	-62.8	0	0	0	0	109.9	V167 M169 Y197 L233	V167-V235 HydrophobicContact CG1-CG2 4.29Å; V167-V235 HydrophobicContact CG2-CB 4.49Å; M169-V235 HydrophobicContact CE-CG2 4.13Å; M169-V235 WeakPolarHBondContact CE-O 3.44Å; Y197-V235 HydrophobicContact CE2-CG2 3.82Å; Y197-V235 WeakPolarHBondContact OH-CG2 3.49Å; L233-V235 PolarHBondContact O-N 3.44Å; L233-V235 VanDerWaalsContact O-N 3.1Å
236	K	97.7	Very high	97.2	Very high	100 Å²	100	35.2 Å²	35.2	44%	0.435	20%	0.198	S	C	.	.			trans	-109.7	144.8	175.4	-66.8	-172.8	169.3	-145.2	0	111	H263 L264 K266	K236-H263 WeakPolarHBondContact CE-O 3.37Å; K236-H263 PolarHBondContact NZ-O 3Å; K236-L264 CarbonylContact C-O 3.46Å; K236-L264 VanDerWaalsContact CA-O 3.23Å; K236-L264 WeakPolarHBondContact CA-O 3.47Å; K236-K266 HydrophobicContact CB-CB 4.48Å; K236-K266 HydrophobicContact CB-CG 3.61Å; K236-K266 VanDerWaalsContact O-CE 3.3Å; K236-K266 WeakPolarHBondContact O-CE 3.07Å
237	A	98.2	Very high	97.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.8	179.3	0	0	0	0	0	112.2	M169 L264 L265 K266	M169-A237 HydrophobicContact CB-CB 4.04Å; M169-A237 HydrophobicContact CE-CB 4.31Å; M169-A237 HydrophobicContact CG-CB 3.63Å; M169-A237 HydrophobicContact SD-CB 3.84Å; A237-L264 PolarHBondContact N-O 2.84Å; A237-L265 HydrophobicContact CB-CD1 4.02Å; A237-K266 WeakPolarHBondContact O-CB 3.39Å; A237-K266 WeakPolarHBondContact O-CG 3.34Å; A237-K266 PolarHBondContact O-N 2.78Å
238	D	97.8	Very high	97.4	Very high	10 Å²	10	33 Å²	33	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-37.7	161.1	-67.4	-78.4	0	0	0	111.2	R157 M166 V167 K266 G269 I270	R157-D238 IonicContact CZ-OD1 2.72Å; R157-D238 IonicContact NE-OD1 3.76Å; R157-D238 IonicContact NH2-OD1 2.84Å; R157-D238 PolarHBondContact NH2-OD1 2.82Å; M166-D238 WeakPolarHBondContact CA-OD2 3.32Å; M166-D238 HydrophobicContact CG-CB 3.57Å; M166-D238 WeakPolarHBondContact CG-OD2 3.36Å; M166-D238 HydrophobicContact SD-CB 4.37Å; V167-D238 PolarHBondContact N-OD2 3.07Å; V167-D238 PolarHBondContact O-N 3.18Å; D238-K266 VanDerWaalsContact OD1-CD 3.3Å; D238-K266 WeakPolarHBondContact OD1-CD 3.19Å; D238-K266 IonicContact OD1-NZ 2.69Å; D238-K266 PolarHBondContact OD1-NZ 2.87Å; D238-K266 IonicContact OD2-NZ 3.21Å; D238-K266 PolarHBondContact OD2-NZ 2.9Å; D238-G269 CarbonylContact O-C 3.51Å; D238-G269 VanDerWaalsContact O-CA 3.31Å; D238-G269 WeakPolarHBondContact O-CA 3.37Å; D238-I270 PolarHBondContact O-N 3.33Å
239	I	98.4	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.8	177.3	-53.7	176.7	0	0	0	108.2	F150 A153 L154 M166 V167 V168 M169 I241 I270 I272	F150-I239 HydrophobicContact CD2-CD1 4.43Å; F150-I239 HydrophobicContact CD2-CG2 4.24Å; F150-I239 HydrophobicContact CE2-CD1 4.03Å; F150-I239 HydrophobicContact CE2-CG2 4.32Å; A153-I239 HydrophobicContact CB-CD1 4.25Å; L154-I239 HydrophobicContact CB-CD1 4.47Å; M166-I239 HydrophobicContact SD-CD1 4.18Å; V167-I239 PolarHBondContact O-N 3.08Å; V168-I239 WeakPolarHBondContact CA-O 3.46Å; V168-I239 HydrophobicContact CG2-CB 4.36Å; M169-I239 PolarHBondContact N-O 3.48Å; I239-I241 HydrophobicContact CG2-CD1 4.43Å; I239-I241 HydrophobicContact CG2-CG1 3.95Å; I239-I270 WeakPolarHBondContact CA-O 3.43Å; I239-I272 HydrophobicContact CG2-CD1 4Å; I239-I272 HydrophobicContact CG2-CG1 4.33Å
240	M	98.8	Very high	97.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.9	170.9	-178.7	-177.9	-66.6	0	0	109.3	M169 V171 L258 A261 L264 L265 I270 S271 I272	M169-M240 CarbonylContact O-C 3.51Å; M169-M240 WeakPolarHBondContact O-CA 3.47Å; V171-M240 HydrophobicContact CG1-CE 4.31Å; V171-M240 HydrophobicContact CG1-CG 3.96Å; V171-M240 HydrophobicContact CG1-SD 4.08Å; V171-M240 HydrophobicContact CG2-CG 3.78Å; V171-M240 HydrophobicContact CG2-SD 3.9Å; M240-L258 HydrophobicContact SD-CD2 4.08Å; M240-A261 HydrophobicContact CE-CB 4.05Å; M240-A261 WeakPolarHBondContact CE-O 3.38Å; M240-A261 HydrophobicContact SD-CB 3.99Å; M240-L264 HydrophobicContact CE-CB 3.82Å; M240-L265 HydrophobicContact CB-CD1 3.86Å; M240-L265 HydrophobicContact CE-CB 4.22Å; M240-I270 PolarHBondContact N-O 3.06Å; M240-S271 CarbonylContact O-C 3.57Å; M240-S271 WeakPolarHBondContact O-CA 3.42Å; M240-I272 PolarHBondContact O-N 3.43Å
241	I	98.8	Very high	97.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135	-178.2	-47.4	176.8	0	0	0	108.4	Y146 F150 V168 M169 V170 V171 L178 V182 I239 I272	Y146-I241 HydrophobicContact CD1-CG2 3.95Å; Y146-I241 HydrophobicContact CE1-CG2 4.16Å; F150-I241 HydrophobicContact CB-CD1 4.21Å; F150-I241 HydrophobicContact CD2-CD1 3.38Å; F150-I241 HydrophobicContact CD2-CG1 4.42Å; F150-I241 HydrophobicContact CE2-CD1 3.89Å; F150-I241 HydrophobicContact CG-CD1 3.84Å; V168-I241 HydrophobicContact CG1-CD1 4.04Å; V168-I241 HydrophobicContact CG1-CG1 4.45Å; M169-I241 PolarHBondContact O-N 3.21Å; V170-I241 CarbonylContact C-O 3.53Å; V170-I241 WeakPolarHBondContact CA-O 3.33Å; V171-I241 PolarHBondContact N-O 2.87Å; L178-I241 HydrophobicContact CD1-CG2 4.12Å; V182-I241 HydrophobicContact CG2-CD1 3.43Å; V182-I241 VanDerWaalsContact CG2-CD1 3.43Å; I239-I241 HydrophobicContact CG2-CD1 4.43Å; I239-I241 HydrophobicContact CG2-CG1 3.95Å; I241-I272 CarbonylContact C-O 3.58Å; I241-I272 WeakPolarHBondContact CA-O 3.25Å; I241-I272 HydrophobicContact CG1-CB 4.35Å; I241-I272 HydrophobicContact CG1-CD1 4.42Å; I241-I272 HydrophobicContact CG2-CB 4.27Å; I241-I272 HydrophobicContact CG2-CG2 4.31Å
242	S	98.7	Very high	97.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.1	176.5	69.7	0	0	0	0	111.4	Y146 V171 I272 P273	Y146-S242 WeakPolarHBondContact CE1-O 3.46Å; Y146-S242 PolarHBondContact OH-O 3.24Å; V171-S242 WeakPolarHBondContact O-CB 3.48Å; S242-I272 PolarHBondContact N-O 3.23Å; S242-P273 WeakPolarHBondContact O-CD 3.4Å
243	E	97.6	Very high	97.7	Very high	37 Å²	37	19.8 Å²	19.8	17%	0.173	11%	0.107	C	C	.	.			trans	-138.9	92	167.4	-159.2	-73	90.7	0	0	106.7	K142 Y146 L178 L245 W387	K142-E243 HydrophobicContact CD-CG 4.2Å; K142-E243 IonicContact NZ-OE2 3.41Å; K142-E243 PolarHBondContact NZ-OE2 2.99Å; Y146-E243 HydrophobicContact CE2-CB 4.27Å; Y146-E243 HydrophobicContact CE2-CG 3.66Å; Y146-E243 WeakPolarHBondContact OH-CG 3.41Å; L178-E243 HydrophobicContact CD1-CB 3.82Å; E243-L245 PolarHBondContact OE1-N 2.87Å; E243-W387 WeakPolarHBondContact OE1-CZ2 2.88Å
244	M	96	Very high	97.7	Very high	20 Å²	20	18.5 Å²	18.5	10%	0.099	10%	0.1	C	C	.	.			trans	-129.7	32.2	-176.9	-60.5	-176.5	-71.3	0	0	110.1	M228 E252 S254 C257 L258	M228-M244 HydrophobicContact CE-CE 3.96Å; M228-M244 HydrophobicContact CE-SD 3.34Å; M228-M244 WeakPolarHBondContact CE-SD 3.48Å; M228-M244 HydrophobicContact SD-CE 3.83Å; M228-M244 HydrophobicContact SD-SD 3.95Å; M244-E252 WeakPolarHBondContact O-CB 3.31Å; M244-S254 VanDerWaalsContact O-CB 3.32Å; M244-S254 WeakPolarHBondContact O-CB 3.04Å; M244-C257 HydrophobicContact CE-CB 3.49Å; M244-C257 VanDerWaalsContact CE-CB 3.49Å; M244-C257 HydrophobicContact SD-CB 3.52Å; M244-C257 VanDerWaalsContact SD-CB 3.52Å; M244-L258 HydrophobicContact CE-CD1 4.24Å; M244-L258 HydrophobicContact CE-CD2 3.51Å; M244-L258 HydrophobicContact CE-CG 3.49Å; M244-L258 VanDerWaalsContact CE-CG 3.49Å
245	L	97.5	Very high	97.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.			trans	-96.3	128.9	-172.8	-56.8	179.6	0	0	0	109.6	E243 G249 Y276 F363 A365 W387	E243-L245 PolarHBondContact OE1-N 2.87Å; L245-G249 WeakPolarHBondContact CA-O 3.5Å; L245-G249 WeakPolarHBondContact CD2-O 3.3Å; L245-Y276 HydrophobicContact CD2-CD1 3.46Å; L245-Y276 VanDerWaalsContact CD2-CD1 3.46Å; L245-Y276 HydrophobicContact CD2-CD2 4.19Å; L245-Y276 HydrophobicContact CD2-CE1 3.65Å; L245-Y276 HydrophobicContact CD2-CE2 4.37Å; L245-Y276 HydrophobicContact CD2-CG 3.74Å; L245-F363 HydrophobicContact CB-CE2 4.38Å; L245-F363 HydrophobicContact CB-CZ 4.46Å; L245-F363 HydrophobicContact CD1-CD2 4.34Å; L245-F363 HydrophobicContact CD1-CE2 3.72Å; L245-F363 HydrophobicContact CD1-CZ 4.4Å; L245-A365 HydrophobicContact CD1-CB 3.5Å; L245-W387 HydrophobicContact CB-CZ2 4.4Å; L245-W387 PolarHBondContact O-NE1 2.98Å
246	G	97.2	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-91.1	-179.6	168.7	0	0	0	0	0	112.5	F248 G249 N251 E252 F363	G246-F248 PolarHBondContact O-N 2.83Å; G246-G249 PolarHBondContact N-O 3.02Å; G246-G249 WeakPolarHBondContact O-CA 3.31Å; G246-G249 PolarHBondContact O-N 2.83Å; G246-N251 WeakPolarHBondContact CA-OD1 3.37Å; G246-E252 WeakPolarHBondContact CA-OE1 3.49Å; G246-F363 WeakPolarHBondContact O-CD1 3.45Å
247	S	97.8	Very high	97.8	Very high	7 Å²	7	6.7 Å²	6.7	5%	0.049	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.8	177.3	-68.4	0	0	0	0	115.2	N251 Y362 F388	S247-N251 PolarHBondContact N-OD1 3.41Å; S247-Y362 CarbonylContact O-C 3.5Å; S247-F388 WeakPolarHBondContact CB-O 3.29Å; S247-F388 PolarHBondContact OG-O 2.73Å
248	F	98.5	Very high	97.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	20.1	174	-154	-122.8	0	0	0	112.3	G246 D250 N251 S278 F279 V280 M310 V327 M390 I392 I410 Y421	G246-F248 PolarHBondContact O-N 2.83Å; F248-D250 VanDerWaalsContact C-N 3.26Å; F248-D250 PolarHBondContact O-N 3.12Å; F248-N251 WeakPolarHBondContact CA-OD1 3.49Å; F248-N251 HydrophobicContact CB-CB 4.15Å; F248-N251 WeakPolarHBondContact CB-OD1 3.41Å; F248-N251 PolarHBondContact N-OD1 3.32Å; F248-S278 VanDerWaalsContact O-CB 3.26Å; F248-S278 WeakPolarHBondContact O-CB 3.32Å; F248-F279 WeakPolarHBondContact CE2-O 3.49Å; F248-V280 HydrophobicContact CE2-CG1 3.46Å; F248-V280 VanDerWaalsContact CE2-CG1 3.46Å; F248-V280 HydrophobicContact CZ-CG1 3.59Å; F248-M310 HydrophobicContact CB-CE 4.2Å; F248-M310 HydrophobicContact CD1-CE 3.67Å; F248-M310 HydrophobicContact CD2-CE 4.42Å; F248-M310 HydrophobicContact CE1-CE 4.09Å; F248-M310 HydrophobicContact CG-CE 3.85Å; F248-V327 HydrophobicContact CZ-CB 4.34Å; F248-V327 HydrophobicContact CZ-CG1 4.36Å; F248-V327 HydrophobicContact CZ-CG2 4.2Å; F248-M390 HydrophobicContact CB-CB 4.17Å; F248-M390 HydrophobicContact CB-CE 4.04Å; F248-M390 HydrophobicContact CB-CG 4.19Å; F248-M390 HydrophobicContact CD2-CB 4.23Å; F248-M390 HydrophobicContact CD2-CG 4.48Å; F248-M390 HydrophobicContact CG-CG 4.48Å; F248-I392 HydrophobicContact CE2-CD1 4.03Å; F248-I392 HydrophobicContact CZ-CD1 3.97Å; F248-I410 HydrophobicContact CE1-CD1 4.14Å; F248-I410 HydrophobicContact CZ-CD1 4.14Å; F248-Y421 HydrophobicContact CD1-CE1 4.36Å
249	G	98.3	Very high	97.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	78.4	-65.3	177.1	0	0	0	0	0	112.7	L245 G246	L245-G249 WeakPolarHBondContact CA-O 3.5Å; L245-G249 WeakPolarHBondContact CD2-O 3.3Å; G246-G249 PolarHBondContact N-O 3.02Å; G246-G249 WeakPolarHBondContact O-CA 3.31Å; G246-G249 PolarHBondContact O-N 2.83Å
250	D	98.3	Very high	97.7	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.056	C	C	.	.	S	Bend	trans	-99.7	-1.3	-173.1	65.3	-91.7	0	0	0	115	F248 E252 L253 P255 Y276 F330 R412 Y421	F248-D250 VanDerWaalsContact C-N 3.26Å; F248-D250 PolarHBondContact O-N 3.12Å; D250-E252 PolarHBondContact O-N 3.11Å; D250-E252 VanDerWaalsContact O-N 3.14Å; D250-L253 PolarHBondContact O-N 2.84Å; D250-P255 HydrophobicContact CB-CG 3.85Å; D250-Y276 HydrophobicContact CB-CE2 4.05Å; D250-F330 HydrophobicContact CB-CD2 3.86Å; D250-F330 HydrophobicContact CB-CE2 3.63Å; D250-F330 HydrophobicContact CB-CZ 4.41Å; D250-R412 VanDerWaalsContact OD2-CD 3.22Å; D250-R412 WeakPolarHBondContact OD2-CD 3.43Å; D250-R412 IonicContact OD2-CZ 3.81Å; D250-R412 IonicContact OD2-NE 2.87Å; D250-R412 PolarHBondContact OD2-NE 2.92Å; D250-R412 IonicContact OD2-NH2 3.77Å; D250-Y421 VanDerWaalsContact CG-OH 3.32Å; D250-Y421 PolarHBondContact OD2-OH 2.73Å
251	N	97.5	Very high	97.7	Very high	5 Å²	5	9.7 Å²	9.7	3%	0.027	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	3.6	-174.6	72.8	-82.4	0	0	0	115.1	G246 S247 F248 M390 Y421 I443	G246-N251 WeakPolarHBondContact CA-OD1 3.37Å; S247-N251 PolarHBondContact N-OD1 3.41Å; F248-N251 WeakPolarHBondContact CA-OD1 3.49Å; F248-N251 HydrophobicContact CB-CB 4.15Å; F248-N251 WeakPolarHBondContact CB-OD1 3.41Å; F248-N251 PolarHBondContact N-OD1 3.32Å; N251-M390 HydrophobicContact CB-CE 4.22Å; N251-M390 WeakPolarHBondContact ND2-CE 3.3Å; N251-Y421 VanDerWaalsContact CA-OH 3.24Å; N251-Y421 WeakPolarHBondContact CA-OH 3.48Å; N251-Y421 HydrophobicContact CB-CE2 3.99Å; N251-Y421 WeakPolarHBondContact CB-OH 3.29Å; N251-Y421 PolarHBondContact N-OH 3.31Å; N251-I443 HydrophobicContact CB-CD1 4.34Å; N251-I443 WeakPolarHBondContact O-CD1 3.36Å
252	E	96.9	Very high	97.6	Very high	29 Å²	29	11.7 Å²	11.7	14%	0.136	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	21.1	168.8	-71.6	-176.9	-161	0	0	111.5	P123 M244 G246 D250 S254	P123-E252 WeakPolarHBondContact CG-OE2 3.32Å; M244-E252 WeakPolarHBondContact O-CB 3.31Å; G246-E252 WeakPolarHBondContact CA-OE1 3.49Å; D250-E252 PolarHBondContact O-N 3.11Å; D250-E252 VanDerWaalsContact O-N 3.14Å; E252-S254 VanDerWaalsContact C-N 3.27Å; E252-S254 PolarHBondContact O-N 2.9Å
253	L	97.3	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.			trans	64.6	23.9	170.7	-48	-173.2	0	0	0	115.1	L124 D250 E256 C257 V419 I443 R444 L445	L124-L253 HydrophobicContact CD2-CB 4.12Å; L124-L253 HydrophobicContact CD2-CD1 3.77Å; D250-L253 PolarHBondContact O-N 2.84Å; L253-E256 PolarHBondContact O-N 2.93Å; L253-E256 VanDerWaalsContact O-N 3.15Å; L253-C257 WeakPolarHBondContact O-CB 3.43Å; L253-C257 PolarHBondContact O-N 3.3Å; L253-C257 PolarHBondContact O-SG 3.28Å; L253-C257 VanDerWaalsContact O-SG 3.37Å; L253-V419 HydrophobicContact CD2-CB 3.59Å; L253-V419 HydrophobicContact CD2-CG1 3.86Å; L253-V419 HydrophobicContact CD2-CG2 3.67Å; L253-I443 HydrophobicContact CD1-CB 4.23Å; L253-I443 HydrophobicContact CD1-CG2 3.57Å; L253-I443 HydrophobicContact CD2-CB 4.02Å; L253-I443 HydrophobicContact CD2-CD1 4.18Å; L253-I443 HydrophobicContact CD2-CG2 3.79Å; L253-I443 HydrophobicContact CG-CB 4.32Å; L253-I443 HydrophobicContact CG-CG2 3.57Å; L253-R444 WeakPolarHBondContact CD1-O 3.31Å; L253-L445 HydrophobicContact CD1-CD2 3.76Å; L253-L445 HydrophobicContact CD1-CG 4.15Å
254	S	98.1	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-47.7	-40.6	170.1	176.9	0	0	0	0	113.5	M244 E252 C257 L258 Y276	M244-S254 VanDerWaalsContact O-CB 3.32Å; M244-S254 WeakPolarHBondContact O-CB 3.04Å; E252-S254 VanDerWaalsContact C-N 3.27Å; E252-S254 PolarHBondContact O-N 2.9Å; S254-C257 PolarHBondContact O-N 2.66Å; S254-L258 WeakPolarHBondContact O-CB 3.46Å; S254-L258 WeakPolarHBondContact O-CG 3.48Å; S254-L258 PolarHBondContact O-N 3.21Å; S254-L258 WeakPolarHBondContact OG-CD1 3.33Å; S254-Y276 VanDerWaalsContact C-OH 3.24Å; S254-Y276 WeakPolarHBondContact CB-OH 3.46Å; S254-Y276 WeakPolarHBondContact OG-CE1 3.44Å; S254-Y276 VanDerWaalsContact OG-CZ 3.3Å; S254-Y276 PolarHBondContact OG-OH 3.31Å
255	P	98.2	Very high	97.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-52	177.3	-23.8	34.4	0	0	0	112.6	D250 C257 L258 D259 Y276 F330	D250-P255 HydrophobicContact CB-CG 3.85Å; P255-C257 PolarHBondContact O-N 3.45Å; P255-L258 PolarHBondContact O-N 2.87Å; P255-D259 VanDerWaalsContact O-CB 3.22Å; P255-D259 WeakPolarHBondContact O-CB 3.45Å; P255-D259 PolarHBondContact O-N 2.72Å; P255-Y276 WeakPolarHBondContact CD-OH 3.26Å; P255-Y276 HydrophobicContact CG-CE2 4.17Å; P255-Y276 WeakPolarHBondContact CG-OH 3.38Å; P255-F330 HydrophobicContact CB-CD1 3.62Å; P255-F330 HydrophobicContact CB-CE1 3.92Å; P255-F330 HydrophobicContact CB-CG 4.16Å; P255-F330 HydrophobicContact CG-CB 4.23Å; P255-F330 HydrophobicContact CG-CD1 3.54Å; P255-F330 HydrophobicContact CG-CD2 3.96Å; P255-F330 HydrophobicContact CG-CE1 3.8Å; P255-F330 HydrophobicContact CG-CE2 4.21Å; P255-F330 HydrophobicContact CG-CG 3.63Å; P255-F330 HydrophobicContact CG-CZ 4.13Å
256	E	97.4	Very high	97.7	Very high	18 Å²	18	16.1 Å²	16.1	8%	0.084	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-35.7	-179.2	-71.1	79.3	-171	0	0	113	L253 G260 N340 R412 S414 V419 L445	L253-E256 PolarHBondContact O-N 2.93Å; L253-E256 VanDerWaalsContact O-N 3.15Å; E256-G260 PolarHBondContact O-N 2.93Å; E256-G260 VanDerWaalsContact O-N 3.12Å; E256-N340 WeakPolarHBondContact OE1-CB 3.35Å; E256-R412 VanDerWaalsContact CD-NH2 3.3Å; E256-R412 IonicContact OE1-CZ 2.88Å; E256-R412 IonicContact OE1-NH1 3.64Å; E256-R412 PolarHBondContact OE1-NH1 3.17Å; E256-R412 IonicContact OE1-NH2 2.83Å; E256-R412 PolarHBondContact OE1-NH2 3.12Å; E256-R412 VanDerWaalsContact OE1-NH2 3.07Å; E256-R412 IonicContact OE2-CZ 3.12Å; E256-R412 IonicContact OE2-NH1 3.68Å; E256-R412 IonicContact OE2-NH2 2.76Å; E256-R412 PolarHBondContact OE2-NH2 3.43Å; E256-S414 PolarHBondContact OE1-OG 2.88Å; E256-V419 HydrophobicContact CG-CG2 4.42Å; E256-L445 HydrophobicContact CB-CD2 3.57Å; E256-L445 HydrophobicContact CG-CD2 3.72Å
257	C	97.2	Very high	97.6	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.027	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-49.7	175.3	-70.7	0	0	0	0	111.8	M228 M244 L253 S254 P255 G260 A261	M228-C257 HydrophobicContact CE-CB 4.43Å; M228-C257 HydrophobicContact SD-CB 3.8Å; M244-C257 HydrophobicContact CE-CB 3.49Å; M244-C257 VanDerWaalsContact CE-CB 3.49Å; M244-C257 HydrophobicContact SD-CB 3.52Å; M244-C257 VanDerWaalsContact SD-CB 3.52Å; L253-C257 WeakPolarHBondContact O-CB 3.43Å; L253-C257 PolarHBondContact O-N 3.3Å; L253-C257 PolarHBondContact O-SG 3.28Å; L253-C257 VanDerWaalsContact O-SG 3.37Å; S254-C257 PolarHBondContact O-N 2.66Å; P255-C257 PolarHBondContact O-N 3.45Å; C257-G260 PolarHBondContact O-N 3.1Å; C257-A261 WeakPolarHBondContact O-CB 3.49Å; C257-A261 PolarHBondContact O-N 2.94Å
258	L	98.2	Very high	97.5	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-74.7	-32.6	-177.5	-67.9	177.8	0	0	0	113	V171 M240 M244 S254 P255 G260 A261 L262 H332	V171-L258 HydrophobicContact CG2-CD2 3.91Å; M240-L258 HydrophobicContact SD-CD2 4.08Å; M244-L258 HydrophobicContact CE-CD1 4.24Å; M244-L258 HydrophobicContact CE-CD2 3.51Å; M244-L258 HydrophobicContact CE-CG 3.49Å; M244-L258 VanDerWaalsContact CE-CG 3.49Å; S254-L258 WeakPolarHBondContact O-CB 3.46Å; S254-L258 WeakPolarHBondContact O-CG 3.48Å; S254-L258 PolarHBondContact O-N 3.21Å; S254-L258 WeakPolarHBondContact OG-CD1 3.33Å; P255-L258 PolarHBondContact O-N 2.87Å; L258-G260 VanDerWaalsContact C-N 3.32Å; L258-A261 PolarHBondContact O-N 2.67Å; L258-L262 PolarHBondContact O-N 2.98Å; L258-L262 VanDerWaalsContact O-N 3.12Å; L258-H332 WeakPolarHBondContact CB-ND1 3.24Å; L258-H332 HydrophobicContact CD1-CB 4.31Å
259	D	97.5	Very high	97.4	Very high	46 Å²	46	26 Å²	26	25%	0.246	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-44.8	169.9	-76.4	-6.3	0	0	0	110.4	P255 A261 L262 N334 N340	P255-D259 VanDerWaalsContact O-CB 3.22Å; P255-D259 WeakPolarHBondContact O-CB 3.45Å; P255-D259 PolarHBondContact O-N 2.72Å; D259-A261 VanDerWaalsContact C-N 3.29Å; D259-A261 PolarHBondContact O-N 3.16Å; D259-L262 VanDerWaalsContact O-CB 3.25Å; D259-L262 WeakPolarHBondContact O-CB 3.49Å; D259-L262 PolarHBondContact O-N 3.32Å; D259-N334 WeakPolarHBondContact OD1-CB 3.19Å; D259-N334 PolarHBondContact OD1-ND2 3.5Å; D259-N334 VanDerWaalsContact OD1-ND2 3.09Å; D259-N334 PolarHBondContact OD2-ND2 3.43Å; D259-N340 PolarHBondContact OD2-ND2 2.9Å
260	G	96.2	Very high	97.4	Very high	24 Å²	24	27.4 Å²	27.4	25%	0.247	14%	0.14	C	C	.	.	H	α-helix	trans	-70.5	-22.5	176.7	0	0	0	0	0	113.8	R229 E256 C257 L258 H263	R229-G260 WeakPolarHBondContact CA-O 3.47Å; E256-G260 PolarHBondContact O-N 2.93Å; E256-G260 VanDerWaalsContact O-N 3.12Å; C257-G260 PolarHBondContact O-N 3.1Å; L258-G260 VanDerWaalsContact C-N 3.32Å; G260-H263 PolarHBondContact O-CE1 3.41Å; G260-H263 PolarHBondContact O-ND1 2.75Å
261	A	97.8	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-86.8	-5.7	174.6	0	0	0	0	0	113.3	M228 M240 C257 L258 D259 H263 L264	M228-A261 HydrophobicContact CB-CB 4.05Å; M228-A261 HydrophobicContact CG-CB 3.95Å; M228-A261 HydrophobicContact SD-CB 4.04Å; M240-A261 HydrophobicContact CE-CB 4.05Å; M240-A261 WeakPolarHBondContact CE-O 3.38Å; M240-A261 HydrophobicContact SD-CB 3.99Å; C257-A261 WeakPolarHBondContact O-CB 3.49Å; C257-A261 PolarHBondContact O-N 2.94Å; L258-A261 PolarHBondContact O-N 2.67Å; D259-A261 VanDerWaalsContact C-N 3.29Å; D259-A261 PolarHBondContact O-N 3.16Å; A261-H263 PolarHBondContact O-N 2.84Å; A261-H263 VanDerWaalsContact O-N 3.1Å; A261-L264 HydrophobicContact CB-CD1 4.46Å; A261-L264 VanDerWaalsContact O-CB 3.27Å; A261-L264 WeakPolarHBondContact O-CB 3.28Å; A261-L264 PolarHBondContact O-N 3.42Å
262	L	97.7	Very high	97.5	Very high	46 Å²	46	27.3 Å²	27.3	24%	0.241	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-57.4	-29.9	-174.2	-179.8	58.6	0	0	0	113	L258 D259 L264 L265 P333	L258-L262 PolarHBondContact O-N 2.98Å; L258-L262 VanDerWaalsContact O-N 3.12Å; D259-L262 VanDerWaalsContact O-CB 3.25Å; D259-L262 WeakPolarHBondContact O-CB 3.49Å; D259-L262 PolarHBondContact O-N 3.32Å; L262-L264 PolarHBondContact O-N 3.36Å; L262-L265 HydrophobicContact CD1-CD2 4.47Å; L262-L265 PolarHBondContact O-N 2.79Å; L262-L265 VanDerWaalsContact O-N 3.07Å; L262-P333 HydrophobicContact CD1-CB 3.53Å
263	H	97.4	Very high	97.6	Very high	76 Å²	76	26 Å²	26	35%	0.352	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-63.7	-24.6	176.4	65.9	-68.4	0	0	0	113.1	M228 V231 K236 G260 A261 L265	M228-H263 PolarHBondContact O-CE1 3.43Å; V231-H263 PolarHBondContact O-NE2 3.45Å; K236-H263 WeakPolarHBondContact CE-O 3.37Å; K236-H263 PolarHBondContact NZ-O 3Å; G260-H263 PolarHBondContact O-CE1 3.41Å; G260-H263 PolarHBondContact O-ND1 2.75Å; A261-H263 PolarHBondContact O-N 2.84Å; A261-H263 VanDerWaalsContact O-N 3.1Å; H263-L265 VanDerWaalsContact C-N 3.31Å
264	L	98.4	Very high	97.6	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-78.9	-11	176.2	-58.3	175	0	0	0	113	M169 I199 L233 K236 A237 M240 A261 L262	M169-L264 HydrophobicContact SD-CB 4.05Å; I199-L264 HydrophobicContact CD1-CD1 3.87Å; L233-L264 HydrophobicContact CB-CD2 4.18Å; L233-L264 HydrophobicContact CD1-CD2 4.29Å; L233-L264 HydrophobicContact CG-CD2 4.25Å; K236-L264 CarbonylContact C-O 3.46Å; K236-L264 VanDerWaalsContact CA-O 3.23Å; K236-L264 WeakPolarHBondContact CA-O 3.47Å; A237-L264 PolarHBondContact N-O 2.84Å; M240-L264 HydrophobicContact CE-CB 3.82Å; A261-L264 HydrophobicContact CB-CD1 4.46Å; A261-L264 VanDerWaalsContact O-CB 3.27Å; A261-L264 WeakPolarHBondContact O-CB 3.28Å; A261-L264 PolarHBondContact O-N 3.42Å; L262-L264 PolarHBondContact O-N 3.36Å
265	L	98.2	Very high	97.6	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.8	-178.4	-165.5	67.6	0	0	0	111.1	A237 M240 L262 H263 P333	A237-L265 HydrophobicContact CB-CD1 4.02Å; M240-L265 HydrophobicContact CB-CD1 3.86Å; M240-L265 HydrophobicContact CE-CB 4.22Å; L262-L265 HydrophobicContact CD1-CD2 4.47Å; L262-L265 PolarHBondContact O-N 2.79Å; L262-L265 VanDerWaalsContact O-N 3.07Å; H263-L265 VanDerWaalsContact C-N 3.31Å; L265-P333 HydrophobicContact CD2-CB 3.77Å; L265-P333 HydrophobicContact CD2-CG 3.91Å
266	K	97.1	Very high	97.7	Very high	63 Å²	63	30.4 Å²	30.4	27%	0.274	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	157.9	170.1	-71.4	178	-175	174.4	0	110.3	K236 A237 D238 D268 G269	K236-K266 HydrophobicContact CB-CB 4.48Å; K236-K266 HydrophobicContact CB-CG 3.61Å; K236-K266 VanDerWaalsContact O-CE 3.3Å; K236-K266 WeakPolarHBondContact O-CE 3.07Å; A237-K266 WeakPolarHBondContact O-CB 3.39Å; A237-K266 WeakPolarHBondContact O-CG 3.34Å; A237-K266 PolarHBondContact O-N 2.78Å; D238-K266 VanDerWaalsContact OD1-CD 3.3Å; D238-K266 WeakPolarHBondContact OD1-CD 3.19Å; D238-K266 IonicContact OD1-NZ 2.69Å; D238-K266 PolarHBondContact OD1-NZ 2.87Å; D238-K266 IonicContact OD2-NZ 3.21Å; D238-K266 PolarHBondContact OD2-NZ 2.9Å; K266-D268 PolarHBondContact O-N 3.24Å; K266-G269 PolarHBondContact O-N 2.67Å
267	E	95.4	Very high	97.7	Very high	150 Å²	150	31 Å²	31	70%	0.701	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	-37.1	-179.3	-169.3	59.2	-150.1	0	0	112	R335	E267-R335 PolarHBondContact O-NE 3.45Å; E267-R335 PolarHBondContact O-NH2 3.33Å
268	D	95.3	Very high	97.8	Very high	62 Å²	62	30.8 Å²	30.8	33%	0.332	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	10.7	176.5	68.2	-26.1	0	0	0	113.3	R157 Y161 K266	R157-D268 IonicContact CZ-OD1 3.68Å; R157-D268 IonicContact CZ-OD2 3.77Å; R157-D268 IonicContact NH1-OD1 2.78Å; R157-D268 IonicContact NH1-OD2 3.03Å; R157-D268 PolarHBondContact NH1-OD2 2.88Å; R157-D268 IonicContact NH2-OD1 2.72Å; R157-D268 PolarHBondContact NH2-OD1 3.34Å; R157-D268 VanDerWaalsContact NH2-OD1 3.08Å; R157-D268 IonicContact NH2-OD2 2.75Å; R157-D268 PolarHBondContact NH2-OD2 3.1Å; Y161-D268 WeakPolarHBondContact CE1-OD2 3.43Å; Y161-D268 PolarHBondContact OH-OD2 3.02Å; K266-D268 PolarHBondContact O-N 3.24Å
269	G	97	Very high	97.8	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	157.2	-178.9	0	0	0	0	0	113	D238 K266 R335	D238-G269 CarbonylContact O-C 3.51Å; D238-G269 VanDerWaalsContact O-CA 3.31Å; D238-G269 WeakPolarHBondContact O-CA 3.37Å; K266-G269 PolarHBondContact O-N 2.67Å; G269-R335 PolarHBondContact O-NH2 3.18Å; G269-R335 VanDerWaalsContact O-NH2 3.14Å
270	I	97.9	Very high	97.9	Very high	30 Å²	30	29 Å²	29	15%	0.154	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.1	-176.4	-59.9	168.1	0	0	0	109.2	D238 I239 M240 I272 Y368	D238-I270 PolarHBondContact O-N 3.33Å; I239-I270 WeakPolarHBondContact CA-O 3.43Å; M240-I270 PolarHBondContact N-O 3.06Å; I270-I272 HydrophobicContact CG2-CG1 4.44Å; I270-Y368 HydrophobicContact CD1-CE2 4.08Å; I270-Y368 HydrophobicContact CG2-CD2 3.88Å; I270-Y368 HydrophobicContact CG2-CE2 3.87Å
271	S	98.8	Very high	98	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.4	167.9	-170	0	0	0	0	110.3	M240 P273 C274 H332	M240-S271 CarbonylContact O-C 3.57Å; M240-S271 WeakPolarHBondContact O-CA 3.42Å; S271-P273 CarbonylContact O-C 3.59Å; S271-C274 WeakPolarHBondContact O-CA 3.33Å; S271-C274 PolarHBondContact O-N 3.21Å; S271-C274 PolarHBondContact O-SG 2.83Å; S271-H332 WeakPolarHBondContact OG-CB 3.4Å
272	I	98.8	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.2	169.3	-58.2	-179.9	0	0	0	106.5	Y146 A149 F150 A153 I239 M240 I241 S242 I270 L367	Y146-I272 HydrophobicContact CD1-CG2 4.01Å; Y146-I272 HydrophobicContact CE1-CG2 4Å; A149-I272 HydrophobicContact CB-CG2 4.4Å; F150-I272 HydrophobicContact CB-CD1 4.37Å; F150-I272 HydrophobicContact CD2-CD1 4.49Å; A153-I272 HydrophobicContact CB-CD1 3.87Å; I239-I272 HydrophobicContact CG2-CD1 4Å; I239-I272 HydrophobicContact CG2-CG1 4.33Å; M240-I272 PolarHBondContact O-N 3.43Å; I241-I272 CarbonylContact C-O 3.58Å; I241-I272 WeakPolarHBondContact CA-O 3.25Å; I241-I272 HydrophobicContact CG1-CB 4.35Å; I241-I272 HydrophobicContact CG1-CD1 4.42Å; I241-I272 HydrophobicContact CG2-CB 4.27Å; I241-I272 HydrophobicContact CG2-CG2 4.31Å; S242-I272 PolarHBondContact N-O 3.23Å; I270-I272 HydrophobicContact CG2-CG1 4.44Å; I272-L367 HydrophobicContact CG2-CB 4.06Å
273	P	98.8	Very high	98.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.123	C	C	.	.	S	Bend	cis	-71.5	144.8	3	29.9	-36	0	0	0	114.3	S242 S271 Y276 N366 L367	S242-P273 WeakPolarHBondContact O-CD 3.4Å; S271-P273 CarbonylContact O-C 3.59Å; P273-Y276 HydrophobicContact CB-CD1 4.34Å; P273-Y276 HydrophobicContact CG-CD1 3.79Å; P273-Y276 HydrophobicContact CG-CE1 4.03Å; P273-N366 WeakPolarHBondContact CB-O 3.39Å; P273-L367 HydrophobicContact CB-CD2 3.95Å
274	C	98.6	Very high	98.1	Very high	29 Å²	29	22.3 Å²	22.3	20%	0.196	11%	0.108	C	C	.	.	S	Bend	trans	-66.6	-38.1	172.7	-72.9	0	0	0	0	112.5	S271 A331 H332 N366 L367	S271-C274 WeakPolarHBondContact O-CA 3.33Å; S271-C274 PolarHBondContact O-N 3.21Å; S271-C274 PolarHBondContact O-SG 2.83Å; C274-A331 WeakPolarHBondContact O-CA 3.32Å; C274-H332 PolarHBondContact O-N 3.2Å; C274-N366 PolarHBondContact N-O 2.96Å; C274-L367 PolarHBondContact N-O 2.85Å; C274-L367 VanDerWaalsContact N-O 3.11Å; C274-L367 PolarHBondContact SG-O 2.98Å; C274-L367 VanDerWaalsContact SG-O 3.39Å
275	Y	98.5	Very high	98	Very high	63 Å²	63	22.2 Å²	22.2	25%	0.247	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	162.5	172.4	65.4	-95.5	0	0	0	111.2	F330 A365 N366	Y275-F330 CarbonylContact C-O 3.57Å; Y275-F330 WeakPolarHBondContact CA-O 3.45Å; Y275-F330 WeakPolarHBondContact CB-O 3.34Å; Y275-A365 CarbonylContact O-C 3.58Å; Y275-A365 WeakPolarHBondContact O-CA 3.27Å; Y275-N366 HydrophobicContact CD1-CB 3.69Å; Y275-N366 HydrophobicContact CD2-CB 3.93Å; Y275-N366 HydrophobicContact CE1-CB 3.26Å; Y275-N366 VanDerWaalsContact CE1-CG 3.4Å; Y275-N366 HydrophobicContact CE2-CB 3.51Å; Y275-N366 HydrophobicContact CG-CB 4.01Å; Y275-N366 PolarHBondContact N-O 3.44Å; Y275-N366 PolarHBondContact O-N 3.04Å
276	Y	98.8	Very high	97.8	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.9	169.7	42.8	-95.1	0	0	0	110.9	L245 D250 S254 P255 P273 R329 F330 H332 R364	L245-Y276 HydrophobicContact CD2-CD1 3.46Å; L245-Y276 VanDerWaalsContact CD2-CD1 3.46Å; L245-Y276 HydrophobicContact CD2-CD2 4.19Å; L245-Y276 HydrophobicContact CD2-CE1 3.65Å; L245-Y276 HydrophobicContact CD2-CE2 4.37Å; L245-Y276 HydrophobicContact CD2-CG 3.74Å; D250-Y276 HydrophobicContact CB-CE2 4.05Å; S254-Y276 VanDerWaalsContact C-OH 3.24Å; S254-Y276 WeakPolarHBondContact CB-OH 3.46Å; S254-Y276 WeakPolarHBondContact OG-CE1 3.44Å; S254-Y276 VanDerWaalsContact OG-CZ 3.3Å; S254-Y276 PolarHBondContact OG-OH 3.31Å; P255-Y276 WeakPolarHBondContact CD-OH 3.26Å; P255-Y276 HydrophobicContact CG-CE2 4.17Å; P255-Y276 WeakPolarHBondContact CG-OH 3.38Å; P273-Y276 HydrophobicContact CB-CD1 4.34Å; P273-Y276 HydrophobicContact CG-CD1 3.79Å; P273-Y276 HydrophobicContact CG-CE1 4.03Å; Y276-R329 WeakPolarHBondContact O-CA 3.25Å; Y276-F330 HydrophobicContact CD2-CB 4.22Å; Y276-F330 HydrophobicContact CD2-CD2 4.34Å; Y276-F330 HydrophobicContact CE2-CB 3.61Å; Y276-F330 AromaticContact CE2-CD2 3.87Å; Y276-F330 HydrophobicContact CE2-CD2 3.87Å; Y276-F330 HydrophobicContact CE2-CG 4.04Å; Y276-F330 PolarHBondContact N-O 3.49Å; Y276-F330 PolarHBondContact O-N 3.16Å; Y276-H332 AromaticContact CE1-CD2 3.56Å; Y276-H332 AromaticContact CE1-NE2 3.51Å; Y276-H332 AromaticContact CZ-CD2 3.95Å; Y276-H332 AromaticContact CZ-NE2 3.4Å; Y276-H332 PolarHBondContact OH-NE2 3.31Å; Y276-R364 CarbonylContact C-O 3.56Å; Y276-R364 WeakPolarHBondContact CA-O 3.33Å
277	E	98.6	Very high	97.6	Very high	30 Å²	30	22.7 Å²	22.7	14%	0.14	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.3	-174.6	-176.5	167.7	-144.9	0	0	110.5	F279 S326 F328 R329 F363 R364	E277-F279 HydrophobicContact CB-CE2 3.88Å; E277-F279 HydrophobicContact CB-CZ 4.33Å; E277-F279 HydrophobicContact CG-CD2 4.45Å; E277-F279 HydrophobicContact CG-CE2 3.72Å; E277-F279 HydrophobicContact CG-CZ 3.87Å; E277-F279 WeakPolarHBondContact O-CD2 3.36Å; E277-F279 WeakPolarHBondContact O-CE2 3.5Å; E277-S326 WeakPolarHBondContact OE1-CB 3.45Å; E277-S326 PolarHBondContact OE1-OG 3.09Å; E277-F328 CarbonylContact C-O 3.4Å; E277-F328 WeakPolarHBondContact CA-O 3.42Å; E277-R329 HydrophobicContact CB-CB 4.36Å; E277-R329 HydrophobicContact CB-CG 4.38Å; E277-R329 HydrophobicContact CG-CB 4.27Å; E277-R329 IonicContact OE2-NH1 3.27Å; E277-F363 CarbonylContact O-C 3.52Å; E277-F363 WeakPolarHBondContact O-CA 3.35Å; E277-R364 PolarHBondContact N-O 3.19Å; E277-R364 PolarHBondContact O-N 3.34Å
278	S	98.8	Very high	97.5	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151	174.1	49.9	0	0	0	0	111.5	F248 S326 V327 F328 Y362	F248-S278 VanDerWaalsContact O-CB 3.26Å; F248-S278 WeakPolarHBondContact O-CB 3.32Å; S278-S326 CarbonylContact O-C 3.55Å; S278-S326 WeakPolarHBondContact O-CA 3.45Å; S278-V327 PolarHBondContact O-N 3.12Å; S278-F328 PolarHBondContact N-O 2.99Å; S278-F328 PolarHBondContact OG-N 3.11Å; S278-F328 PolarHBondContact OG-O 3.1Å; S278-Y362 CarbonylContact C-O 3.51Å; S278-Y362 WeakPolarHBondContact CA-O 3.41Å
279	F	98.8	Very high	97.4	Very high	15 Å²	15	13 Å²	13	7%	0.066	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.3	-179.9	-66.4	-101.6	0	0	0	110.2	F248 E277 P324 K325 G361 Y362 R364 V376	F248-F279 WeakPolarHBondContact CE2-O 3.49Å; E277-F279 HydrophobicContact CB-CE2 3.88Å; E277-F279 HydrophobicContact CB-CZ 4.33Å; E277-F279 HydrophobicContact CG-CD2 4.45Å; E277-F279 HydrophobicContact CG-CE2 3.72Å; E277-F279 HydrophobicContact CG-CZ 3.87Å; E277-F279 WeakPolarHBondContact O-CD2 3.36Å; E277-F279 WeakPolarHBondContact O-CE2 3.5Å; F279-P324 HydrophobicContact CB-CB 4.1Å; F279-P324 HydrophobicContact CD1-CB 4.49Å; F279-K325 CarbonylContact C-O 3.55Å; F279-K325 VanDerWaalsContact CA-O 3.28Å; F279-K325 WeakPolarHBondContact CA-O 3.09Å; F279-G361 CarbonylContact O-C 3.56Å; F279-G361 VanDerWaalsContact O-CA 3.28Å; F279-G361 WeakPolarHBondContact O-CA 3.47Å; F279-Y362 HydrophobicContact CB-CD2 4.37Å; F279-Y362 PolarHBondContact N-O 3.01Å; F279-Y362 PolarHBondContact O-N 3.17Å; F279-R364 HydrophobicContact CE2-CB 3.81Å; F279-V376 HydrophobicContact CB-CG2 4.09Å; F279-V376 HydrophobicContact CD1-CG2 4.38Å; F279-V376 HydrophobicContact CD2-CG2 3.44Å; F279-V376 VanDerWaalsContact CD2-CG2 3.44Å; F279-V376 HydrophobicContact CE2-CG2 3.96Å; F279-V376 HydrophobicContact CG-CG2 3.71Å
280	V	98.8	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.5	174.5	-68	0	0	0	0	112.3	F248 P324 K325 V327 I346 F348 F359 A360 I392 L408	F248-V280 HydrophobicContact CE2-CG1 3.46Å; F248-V280 VanDerWaalsContact CE2-CG1 3.46Å; F248-V280 HydrophobicContact CZ-CG1 3.59Å; V280-P324 WeakPolarHBondContact O-CA 3.44Å; V280-K325 PolarHBondContact N-O 3.17Å; V280-K325 PolarHBondContact O-N 2.89Å; V280-V327 HydrophobicContact CB-CG2 4.06Å; V280-V327 HydrophobicContact CG1-CG2 3.73Å; V280-V327 HydrophobicContact CG2-CG2 3.49Å; V280-V327 VanDerWaalsContact CG2-CG2 3.49Å; V280-I346 HydrophobicContact CG2-CD1 3.73Å; V280-F348 HydrophobicContact CG2-CE2 4.43Å; V280-F348 HydrophobicContact CG2-CZ 4Å; V280-F348 WeakPolarHBondContact O-CZ 3.46Å; V280-F359 HydrophobicContact CB-CB 4.32Å; V280-A360 CarbonylContact C-O 3.38Å; V280-A360 VanDerWaalsContact CA-O 3.26Å; V280-A360 WeakPolarHBondContact CA-O 3.07Å; V280-I392 HydrophobicContact CG1-CD1 3.74Å; V280-L408 HydrophobicContact CG2-CD2 3.73Å
281	S	98.7	Very high	96.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.6	168.8	-87.1	0	0	0	0	110.1	A283 S322 P324 F359 A360	S281-A283 PolarHBondContact O-N 3.16Å; S281-S322 WeakPolarHBondContact CB-O 3.38Å; S281-S322 PolarHBondContact OG-O 3.47Å; S281-P324 WeakPolarHBondContact OG-CA 3.21Å; S281-P324 WeakPolarHBondContact OG-CD 3.4Å; S281-P324 WeakPolarHBondContact OG-CG 3.41Å; S281-F359 CarbonylContact O-C 3.57Å; S281-F359 WeakPolarHBondContact O-CA 3.44Å; S281-A360 PolarHBondContact N-O 2.88Å; S281-A360 PolarHBondContact O-N 3.48Å
282	P	98.7	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136	168.3	27.4	-33.5	0	0	0	109.1	I321 F348 L356 F359 I406	P282-I321 HydrophobicContact CB-CB 4.25Å; P282-I321 HydrophobicContact CB-CD1 4.37Å; P282-I321 HydrophobicContact CG-CB 4.12Å; P282-I321 VanDerWaalsContact O-CB 3.32Å; P282-I321 WeakPolarHBondContact O-CB 3.49Å; P282-I321 PolarHBondContact O-N 3.36Å; P282-F348 VanDerWaalsContact CD-CE1 3.45Å; P282-F348 HydrophobicContact CG-CB 3.78Å; P282-F348 HydrophobicContact CG-CD1 3.84Å; P282-F348 HydrophobicContact CG-CD2 4.04Å; P282-F348 HydrophobicContact CG-CE1 4.37Å; P282-F348 HydrophobicContact CG-CG 3.63Å; P282-L356 HydrophobicContact CB-CD1 3.63Å; P282-F359 HydrophobicContact CB-CD1 4.02Å; P282-F359 HydrophobicContact CB-CE1 3.85Å; P282-I406 HydrophobicContact CB-CD1 3.71Å; P282-I406 HydrophobicContact CG-CD1 3.95Å
283	A	98.4	Very high	95.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.9	-171	0	0	0	0	0	112.7	S281 F319 I320 G357 G358 A360 W391	S281-A283 PolarHBondContact O-N 3.16Å; A283-F319 CarbonylContact C-O 3.58Å; A283-F319 VanDerWaalsContact CA-O 3.26Å; A283-F319 WeakPolarHBondContact CA-O 3.34Å; A283-I320 HydrophobicContact CB-CD1 3.87Å; A283-G357 PolarHBondContact O-N 2.96Å; A283-G358 PolarHBondContact N-O 3.33Å; A283-G358 PolarHBondContact O-N 2.96Å; A283-G358 VanDerWaalsContact O-N 3.12Å; A283-G358 VanDerWaalsContact O-O 3.14Å; A283-A360 HydrophobicContact CB-CB 4.35Å; A283-W391 HydrophobicContact CB-CH2 4.23Å; A283-W391 HydrophobicContact CB-CZ3 3.74Å
284	H	97.6	Very high	95.4	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.032	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.9	166.3	-167.5	57.7	0	0	0	109.1	G30 E31 H318 F319 V355	G30-H284 PolarHBondContact O-CD2 3.46Å; E31-H284 IonicContact OE1-NE2 2.96Å; E31-H284 IonicContact OE2-NE2 3.02Å; H284-H318 CarbonylContact O-C 3.5Å; H284-H318 WeakPolarHBondContact O-CA 3.45Å; H284-H318 WeakPolarHBondContact O-CB 3.49Å; H284-F319 HydrophobicContact CB-CB 4.14Å; H284-F319 PolarHBondContact N-O 3.34Å; H284-F319 PolarHBondContact O-N 2.82Å; H284-V355 WeakPolarHBondContact CB-O 3.36Å; H284-V355 PolarHBondContact ND1-O 3.22Å; H284-V355 VanDerWaalsContact ND1-O 3.16Å
285	A	96.3	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.			trans	-146.7	81	172.4	0	0	0	0	0	108	K287 V288 T289 L315 H318 W391	A285-K287 VanDerWaalsContact C-N 3.32Å; A285-K287 PolarHBondContact O-N 2.8Å; A285-V288 HydrophobicContact CB-CB 4.15Å; A285-V288 HydrophobicContact CB-CG2 4.37Å; A285-V288 PolarHBondContact O-N 3Å; A285-T289 WeakPolarHBondContact O-CB 3.41Å; A285-T289 PolarHBondContact O-N 3.48Å; A285-T289 PolarHBondContact O-OG1 2.99Å; A285-L315 HydrophobicContact CB-CD2 4.1Å; A285-H318 HydrophobicContact CB-CB 4.04Å; A285-W391 HydrophobicContact CB-CE3 4.49Å; A285-W391 HydrophobicContact CB-CH2 3.75Å; A285-W391 HydrophobicContact CB-CZ2 4.09Å; A285-W391 HydrophobicContact CB-CZ3 3.95Å
286	A	93.7	Very high	93.9	Very high	6 Å²	6	20.4 Å²	20.4	5%	0.05	12%	0.116	C	C	.	.	H	α-helix	trans	-58.2	-45.5	-171.1	0	0	0	0	0	111.8	G30 M32 T289 T290	G30-A286 PolarHBondContact O-N 3.26Å; M32-A286 HydrophobicContact CG-CB 4.36Å; A286-T289 PolarHBondContact O-N 3.47Å; A286-T290 VanDerWaalsContact O-CB 3.29Å; A286-T290 WeakPolarHBondContact O-CB 3.39Å; A286-T290 PolarHBondContact O-N 3.46Å; A286-T290 PolarHBondContact O-OG1 3.07Å
287	K	93.2	Very high	92.7	Very high	76 Å²	76	26.5 Å²	26.5	33%	0.33	15%	0.148	S	C	.	.	H	α-helix	trans	-59.9	-52.7	-178.8	-170.9	172	177.3	-178.1	0	111.8	M32 D115 A285 T290 Q291	M32-K287 HydrophobicContact CG-CB 3.96Å; M32-K287 HydrophobicContact CG-CG 4.48Å; D115-K287 HydrophobicContact CB-CD 3.92Å; D115-K287 HydrophobicContact CB-CG 4.26Å; A285-K287 VanDerWaalsContact C-N 3.32Å; A285-K287 PolarHBondContact O-N 2.8Å; K287-T290 PolarHBondContact O-N 3.41Å; K287-Q291 WeakPolarHBondContact O-CG 3.36Å; K287-Q291 PolarHBondContact O-N 3.13Å
288	V	94.2	Very high	91.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-48.2	179.3	176.8	0	0	0	0	111.1	D115 V117 A285 T290 Q291 M292 I311 V313 L315 W391	D115-V288 HydrophobicContact CB-CG2 3.81Å; V117-V288 HydrophobicContact CG2-CG1 4.16Å; A285-V288 HydrophobicContact CB-CB 4.15Å; A285-V288 HydrophobicContact CB-CG2 4.37Å; A285-V288 PolarHBondContact O-N 3Å; V288-T290 VanDerWaalsContact C-N 3.27Å; V288-T290 PolarHBondContact O-N 3.44Å; V288-Q291 PolarHBondContact O-N 2.72Å; V288-M292 WeakPolarHBondContact O-CG 3.25Å; V288-M292 PolarHBondContact O-N 2.84Å; V288-I311 HydrophobicContact CG1-CD1 3.87Å; V288-V313 HydrophobicContact CG1-CG1 4.33Å; V288-V313 HydrophobicContact CG1-CG2 4.4Å; V288-V313 HydrophobicContact CG2-CG2 3.85Å; V288-L315 HydrophobicContact CG2-CD2 4.13Å; V288-W391 HydrophobicContact CG1-CG 4.18Å
289	T	92.4	Very high	89.2	Confident	8 Å²	8	35.3 Å²	35.3	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-41.1	-179.6	-53.3	0	0	0	0	111.3	A285 A286 M292 A293	A285-T289 WeakPolarHBondContact O-CB 3.41Å; A285-T289 PolarHBondContact O-N 3.48Å; A285-T289 PolarHBondContact O-OG1 2.99Å; A286-T289 PolarHBondContact O-N 3.47Å; T289-M292 PolarHBondContact O-N 2.93Å; T289-A293 PolarHBondContact O-N 2.8Å
290	T	91.1	Very high	87	Confident	11 Å²	11	40.9 Å²	40.9	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-42.2	178.4	-55	0	0	0	0	111.9	Q4 L6 A286 K287 V288 M292 A293 S294	Q4-T290 HydrophobicContact CB-CG2 4.44Å; Q4-T290 WeakPolarHBondContact O-CG2 3Å; L6-T290 HydrophobicContact CD1-CG2 4.46Å; L6-T290 HydrophobicContact CD2-CG2 3.43Å; L6-T290 VanDerWaalsContact CD2-CG2 3.43Å; L6-T290 HydrophobicContact CG-CG2 3.52Å; A286-T290 VanDerWaalsContact O-CB 3.29Å; A286-T290 WeakPolarHBondContact O-CB 3.39Å; A286-T290 PolarHBondContact O-N 3.46Å; A286-T290 PolarHBondContact O-OG1 3.07Å; K287-T290 PolarHBondContact O-N 3.41Å; V288-T290 VanDerWaalsContact C-N 3.27Å; V288-T290 PolarHBondContact O-N 3.44Å; T290-M292 VanDerWaalsContact C-N 3.32Å; T290-M292 PolarHBondContact O-N 3.16Å; T290-A293 PolarHBondContact O-N 3.02Å; T290-S294 WeakPolarHBondContact O-CB 3.41Å; T290-S294 PolarHBondContact O-N 3.25Å
291	Q	91.2	Very high	84.7	Confident	44 Å²	44	49.4 Å²	49.4	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-57.5	-46.8	174.2	-75.4	-179.4	28	0	0	111.1	L6 D115 V117 K287 V288 A293 S294 L295	L6-Q291 HydrophobicContact CD1-CG 4.32Å; L6-Q291 HydrophobicContact CD2-CG 4.11Å; D115-Q291 PolarHBondContact O-NE2 2.84Å; D115-Q291 PolarHBondContact O-OE1 3.09Å; D115-Q291 VanDerWaalsContact O-OE1 3.04Å; V117-Q291 HydrophobicContact CG2-CB 3.96Å; K287-Q291 WeakPolarHBondContact O-CG 3.36Å; K287-Q291 PolarHBondContact O-N 3.13Å; V288-Q291 PolarHBondContact O-N 2.72Å; Q291-A293 PolarHBondContact O-N 3.13Å; Q291-S294 WeakPolarHBondContact O-CB 3.43Å; Q291-S294 PolarHBondContact O-N 3.32Å; Q291-L295 WeakPolarHBondContact O-CG 3.36Å; Q291-L295 PolarHBondContact O-N 3.29Å
292	M	91.3	Very high	82.3	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-48.7	175.9	-67.1	-175.1	78.6	0	0	111.7	V117 V288 T289 T290 S294 L295 C296 V305 S306 L307 I311 W391 P393	V117-M292 HydrophobicContact CG1-CG 4.31Å; V117-M292 HydrophobicContact CG2-CG 3.85Å; V288-M292 WeakPolarHBondContact O-CG 3.25Å; V288-M292 PolarHBondContact O-N 2.84Å; T289-M292 PolarHBondContact O-N 2.93Å; T290-M292 VanDerWaalsContact C-N 3.32Å; T290-M292 PolarHBondContact O-N 3.16Å; M292-S294 VanDerWaalsContact C-N 3.27Å; M292-S294 PolarHBondContact O-N 2.79Å; M292-L295 PolarHBondContact O-N 2.84Å; M292-L295 VanDerWaalsContact O-N 3.16Å; M292-C296 PolarHBondContact O-N 3.32Å; M292-C296 PolarHBondContact O-SG 3.07Å; M292-V305 HydrophobicContact CB-CG1 4.25Å; M292-V305 HydrophobicContact CE-CG1 4.08Å; M292-V305 HydrophobicContact CG-CG1 4.16Å; M292-S306 VanDerWaalsContact CE-O 3.25Å; M292-S306 WeakPolarHBondContact CE-O 3.45Å; M292-L307 HydrophobicContact CB-CD2 3.85Å; M292-L307 HydrophobicContact SD-CD2 4.46Å; M292-I311 HydrophobicContact CE-CD1 3.91Å; M292-I311 HydrophobicContact CE-CG1 4.08Å; M292-I311 HydrophobicContact CE-CG2 3.71Å; M292-I311 HydrophobicContact CG-CD1 3.69Å; M292-I311 HydrophobicContact SD-CD1 3.32Å; M292-I311 WeakPolarHBondContact SD-CD1 3.41Å; M292-I311 HydrophobicContact SD-CG1 3.95Å; M292-W391 VanDerWaalsContact SD-CD1 3.57Å; M292-P393 HydrophobicContact CE-CB 4.21Å; M292-P393 HydrophobicContact CE-CG 3.73Å; M292-P393 HydrophobicContact SD-CB 3.98Å; M292-P393 HydrophobicContact SD-CG 4.12Å
293	A	88.5	Confident	80.1	Confident	29 Å²	29	60.7 Å²	60.7	24%	0.24	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-36.8	179	0	0	0	0	0	112.6	T289 T290 Q291 C296 N297 L307	T289-A293 PolarHBondContact O-N 2.8Å; T290-A293 PolarHBondContact O-N 3.02Å; Q291-A293 PolarHBondContact O-N 3.13Å; A293-C296 WeakPolarHBondContact O-CB 3.34Å; A293-C296 PolarHBondContact O-N 3.24Å; A293-N297 PolarHBondContact O-N 3.28Å; A293-N297 PolarHBondContact O-ND2 3.23Å; A293-N297 VanDerWaalsContact O-ND2 3.14Å; A293-L307 HydrophobicContact CB-CD1 4.41Å
294	S	86.9	Confident	78.3	Confident	67 Å²	67	66.9 Å²	66.9	47%	0.469	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-45.8	174.1	-173	0	0	0	0	111.7	T290 Q291 M292 C296 N297 A298	T290-S294 WeakPolarHBondContact O-CB 3.41Å; T290-S294 PolarHBondContact O-N 3.25Å; Q291-S294 WeakPolarHBondContact O-CB 3.43Å; Q291-S294 PolarHBondContact O-N 3.32Å; M292-S294 VanDerWaalsContact C-N 3.27Å; M292-S294 PolarHBondContact O-N 2.79Å; S294-C296 PolarHBondContact O-N 3.26Å; S294-N297 PolarHBondContact O-N 3.14Å; S294-A298 PolarHBondContact O-N 3.24Å
295	L	85.3	Confident	77	Confident	85 Å²	85	67.2 Å²	67.2	45%	0.445	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-37.1	177.1	-66.6	169	0	0	0	112.2	V117 Q291 M292 N297 A298 V305	V117-L295 HydrophobicContact CB-CD1 4.47Å; V117-L295 HydrophobicContact CG1-CD1 4.29Å; Q291-L295 WeakPolarHBondContact O-CG 3.36Å; Q291-L295 PolarHBondContact O-N 3.29Å; M292-L295 PolarHBondContact O-N 2.84Å; M292-L295 VanDerWaalsContact O-N 3.16Å; L295-N297 PolarHBondContact O-N 3.24Å; L295-A298 PolarHBondContact O-N 3.35Å; L295-V305 HydrophobicContact CB-CB 3.95Å; L295-V305 HydrophobicContact CB-CG1 4.17Å; L295-V305 HydrophobicContact CD1-CB 4.14Å; L295-V305 HydrophobicContact CD1-CG1 4.04Å; L295-V305 HydrophobicContact CD1-CG2 4.15Å
296	C	79.9	Confident	76.5	Confident	48 Å²	48	68.4 Å²	68.4	32%	0.324	38%	0.382	S	S	.	.	H	α-helix	trans	-58.5	-35.4	175.3	-63.3	0	0	0	0	112.6	M292 A293 S294 V305 S306 L307	M292-C296 PolarHBondContact O-N 3.32Å; M292-C296 PolarHBondContact O-SG 3.07Å; A293-C296 WeakPolarHBondContact O-CB 3.34Å; A293-C296 PolarHBondContact O-N 3.24Å; S294-C296 PolarHBondContact O-N 3.26Å; C296-V305 WeakPolarHBondContact CA-O 3.44Å; C296-V305 PolarHBondContact SG-O 2.78Å; C296-S306 WeakPolarHBondContact SG-CA 3.25Å; C296-L307 PolarHBondContact SG-N 2.94Å; C296-L307 VanDerWaalsContact SG-N 3.43Å
297	N	74.1	Confident	76.4	Confident	129 Å²	129	69.2 Å²	69.2	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-88.8	-13	-175.7	-68.5	-31.2	0	0	0	112.8	A293 S294 L295 N299	A293-N297 PolarHBondContact O-N 3.28Å; A293-N297 PolarHBondContact O-ND2 3.23Å; A293-N297 VanDerWaalsContact O-ND2 3.14Å; S294-N297 PolarHBondContact O-N 3.14Å; L295-N297 PolarHBondContact O-N 3.24Å; N297-N299 PolarHBondContact O-N 3.28Å
298	A	69.1	Low	76.4	Confident	56 Å²	56	66.3 Å²	66.3	46%	0.463	37%	0.374	S	S	.	.	S	Bend	trans	-73.8	113.5	175.1	0	0	0	0	0	108.7	S294 L295 N300	S294-A298 PolarHBondContact O-N 3.24Å; L295-A298 PolarHBondContact O-N 3.35Å; A298-N300 PolarHBondContact O-N 2.99Å
299	N	54.8	Low	76.3	Confident	160 Å²	160	66.8 Å²	66.8	86%	0.856	38%	0.376	S	S	*	.			trans	-63.5	15.8	-175.8	-77	-24.9	0	0	0	115.8	N297	N297-N299 PolarHBondContact O-N 3.28Å
300	N	53.1	Low	76.5	Confident	133 Å²	133	66.9 Å²	66.9	71%	0.711	38%	0.377	S	S	*	.			trans	-89.8	116.1	-179.7	-78	-6.2	0	0	0	110.3	A298 T302	A298-N300 PolarHBondContact O-N 2.99Å; N300-T302 PolarHBondContact O-N 3.25Å; N300-T302 VanDerWaalsContact O-N 3.1Å
301	Q	51.1	Low	76.7	Confident	179 Å²	179	66.4 Å²	66.4	84%	0.836	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-3.1	-172.4	-74.3	-175	-18.3	0	0	115.7
302	T	46.7	Very low	77	Confident	118 Å²	118	65.3 Å²	65.3	72%	0.724	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-17.5	-159.4	50.6	0	0	0	0	115.6	N300	N300-T302 PolarHBondContact O-N 3.25Å; N300-T302 VanDerWaalsContact O-N 3.1Å
303	D	52.8	Low	77.2	Confident	119 Å²	119	65.3 Å²	65.3	64%	0.636	37%	0.37	S	S	*	.	S	Bend	trans	-153.7	90.5	175	-72.8	-57.9	0	0	0	109.5	I119 V305	I119-D303 HydrophobicContact CD1-CB 3.95Å; D303-V305 VanDerWaalsContact C-N 3.31Å; D303-V305 PolarHBondContact O-N 2.89Å
304	L	60.8	Low	77.5	Confident	129 Å²	129	65.5 Å²	65.5	68%	0.675	37%	0.365	S	S	*	.			trans	-71.4	80.6	-173.4	-84.8	157.4	0	0	0	111.9	S306	L304-S306 PolarHBondContact O-N 2.7Å
305	V	71.6	Confident	77.8	Confident	14 Å²	14	63.2 Å²	63.2	9%	0.085	35%	0.347	C	S	.	.			trans	-71	109.1	160.4	178.5	0	0	0	0	107.6	V117 I119 M292 L295 C296 D303	V117-V305 HydrophobicContact CG1-CG1 4.02Å; V117-V305 HydrophobicContact CG1-CG2 4.38Å; I119-V305 HydrophobicContact CD1-CG2 4.38Å; I119-V305 HydrophobicContact CG1-CG2 4.24Å; M292-V305 HydrophobicContact CB-CG1 4.25Å; M292-V305 HydrophobicContact CE-CG1 4.08Å; M292-V305 HydrophobicContact CG-CG1 4.16Å; L295-V305 HydrophobicContact CB-CB 3.95Å; L295-V305 HydrophobicContact CB-CG1 4.17Å; L295-V305 HydrophobicContact CD1-CB 4.14Å; L295-V305 HydrophobicContact CD1-CG1 4.04Å; L295-V305 HydrophobicContact CD1-CG2 4.15Å; C296-V305 WeakPolarHBondContact CA-O 3.44Å; C296-V305 PolarHBondContact SG-O 2.78Å; D303-V305 VanDerWaalsContact C-N 3.31Å; D303-V305 PolarHBondContact O-N 2.89Å
306	S	84.6	Confident	78.1	Confident	25 Å²	25	60.4 Å²	60.4	18%	0.175	33%	0.332	C	S	.	.			trans	-115.7	156.9	176.4	174.8	0	0	0	0	110.3	M292 C296 L304 E308 T309 T440	M292-S306 VanDerWaalsContact CE-O 3.25Å; M292-S306 WeakPolarHBondContact CE-O 3.45Å; C296-S306 WeakPolarHBondContact SG-CA 3.25Å; L304-S306 PolarHBondContact O-N 2.7Å; S306-E308 PolarHBondContact O-N 3.32Å; S306-E308 PolarHBondContact OG-N 3.36Å; S306-E308 VanDerWaalsContact OG-N 3.08Å; S306-T309 WeakPolarHBondContact O-CB 3.2Å; S306-T309 PolarHBondContact O-N 2.98Å; S306-T440 WeakPolarHBondContact OG-CG2 3.37Å
307	L	91.5	Very high	78.8	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.12	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	5.1	166.1	-64.2	171.4	0	0	0	112.9	M292 A293 C296 P393 Q395 H434	M292-L307 HydrophobicContact CB-CD2 3.85Å; M292-L307 HydrophobicContact SD-CD2 4.46Å; A293-L307 HydrophobicContact CB-CD1 4.41Å; C296-L307 PolarHBondContact SG-N 2.94Å; C296-L307 VanDerWaalsContact SG-N 3.43Å; L307-P393 HydrophobicContact CD2-CB 4.01Å; L307-P393 WeakPolarHBondContact O-CG 3.34Å; L307-Q395 HydrophobicContact CB-CB 4.5Å; L307-Q395 HydrophobicContact CD1-CG 4.31Å; L307-H434 PolarHBondContact O-CD2 3.15Å
308	E	93.9	Very high	79.8	Confident	16 Å²	16	54.7 Å²	54.7	8%	0.075	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	12	169.2	-58.2	-165.4	121.5	0	0	112.7	S306 W423 H434 N435 R439 T440	S306-E308 PolarHBondContact O-N 3.32Å; S306-E308 PolarHBondContact OG-N 3.36Å; S306-E308 VanDerWaalsContact OG-N 3.08Å; E308-W423 VanDerWaalsContact C-CH2 3.45Å; E308-W423 VanDerWaalsContact O-CH2 3.3Å; E308-W423 WeakPolarHBondContact O-CH2 3.5Å; E308-H434 HydrophobicContact CG-CB 4.3Å; E308-H434 WeakPolarHBondContact OE1-CA 3.47Å; E308-N435 HydrophobicContact CB-CB 4.08Å; E308-N435 VanDerWaalsContact CD-N 3.32Å; E308-N435 WeakPolarHBondContact O-CB 3.39Å; E308-N435 PolarHBondContact OE1-N 3.44Å; E308-R439 IonicContact OE1-CZ 3.73Å; E308-R439 IonicContact OE1-NE 2.73Å; E308-R439 IonicContact OE1-NH2 3.73Å; E308-R439 PolarHBondContact OE1-NH2 3.33Å; E308-R439 IonicContact OE2-CZ 3.93Å; E308-R439 VanDerWaalsContact OE2-CZ 3.25Å; E308-R439 IonicContact OE2-NE 3.07Å; E308-R439 PolarHBondContact OE2-NE 3.17Å; E308-R439 IonicContact OE2-NH2 3.34Å; E308-R439 PolarHBondContact OE2-NH2 3.44Å; E308-T440 HydrophobicContact CB-CG2 4.19Å; E308-T440 PolarHBondContact OE2-OG1 3.01Å
309	T	92.9	Very high	81.1	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.055	28%	0.277	C	S	.	.	S	Bend	trans	-111.7	132.6	177.4	-54.9	0	0	0	0	109.4	S306 I311 P393	S306-T309 WeakPolarHBondContact O-CB 3.2Å; S306-T309 PolarHBondContact O-N 2.98Å; T309-I311 HydrophobicContact CG2-CG2 4.35Å; T309-P393 WeakPolarHBondContact O-CD 3.15Å; T309-P393 WeakPolarHBondContact O-CG 3.46Å
310	M	96	Very high	83.2	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.054	25%	0.248	C	C	.	.			trans	-77.3	132.3	168.6	-64	173.8	50.9	0	0	108.6	P120 F248 M390 W391 I392 Y421 W423	P120-M310 WeakPolarHBondContact CD-O 3.39Å; P120-M310 WeakPolarHBondContact CG-O 3.35Å; F248-M310 HydrophobicContact CB-CE 4.2Å; F248-M310 HydrophobicContact CD1-CE 3.67Å; F248-M310 HydrophobicContact CD2-CE 4.42Å; F248-M310 HydrophobicContact CE1-CE 4.09Å; F248-M310 HydrophobicContact CG-CE 3.85Å; M310-M390 HydrophobicContact CB-CG 4.1Å; M310-M390 HydrophobicContact CB-SD 3.65Å; M310-M390 HydrophobicContact CE-CE 4.34Å; M310-M390 HydrophobicContact CE-CG 3.46Å; M310-M390 VanDerWaalsContact CE-CG 3.46Å; M310-M390 HydrophobicContact CE-SD 4.14Å; M310-W391 WeakPolarHBondContact CA-O 3.34Å; M310-I392 HydrophobicContact CE-CD1 4.01Å; M310-I392 HydrophobicContact CE-CG1 3.88Å; M310-I392 HydrophobicContact CG-CG1 4.08Å; M310-I392 HydrophobicContact CG-CG2 4.39Å; M310-I392 HydrophobicContact SD-CG1 4.28Å; M310-Y421 HydrophobicContact CE-CD2 4.27Å; M310-Y421 HydrophobicContact CE-CE2 4.47Å; M310-Y421 HydrophobicContact SD-CD2 3.51Å; M310-Y421 VanDerWaalsContact SD-CD2 3.51Å; M310-Y421 HydrophobicContact SD-CE2 4.26Å; M310-Y421 HydrophobicContact SD-CG 3.68Å; M310-W423 HydrophobicContact CG-CH2 3.98Å; M310-W423 HydrophobicContact CG-CZ3 3.83Å; M310-W423 HydrophobicContact SD-CZ3 4.33Å
311	I	95.3	Very high	85.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.3	-175	61.4	164.6	0	0	0	111.8	V117 Q118 V288 M292 T309 M390 W391	V117-I311 HydrophobicContact CB-CD1 3.96Å; V117-I311 HydrophobicContact CG1-CB 4.28Å; V117-I311 HydrophobicContact CG1-CD1 3.5Å; V117-I311 VanDerWaalsContact CG1-CD1 3.5Å; V117-I311 HydrophobicContact CG1-CG1 4.48Å; V117-I311 HydrophobicContact CG1-CG2 4.11Å; V117-I311 HydrophobicContact CG2-CD1 3.64Å; Q118-I311 WeakPolarHBondContact O-CB 3.43Å; V288-I311 HydrophobicContact CG1-CD1 3.87Å; M292-I311 HydrophobicContact CE-CD1 3.91Å; M292-I311 HydrophobicContact CE-CG1 4.08Å; M292-I311 HydrophobicContact CE-CG2 3.71Å; M292-I311 HydrophobicContact CG-CD1 3.69Å; M292-I311 HydrophobicContact SD-CD1 3.32Å; M292-I311 WeakPolarHBondContact SD-CD1 3.41Å; M292-I311 HydrophobicContact SD-CG1 3.95Å; T309-I311 HydrophobicContact CG2-CG2 4.35Å; I311-M390 VanDerWaalsContact C-SD 3.54Å; I311-M390 CarbonylContact O-C 3.54Å; I311-M390 WeakPolarHBondContact O-CA 3.45Å; I311-W391 HydrophobicContact CD1-CB 4.33Å; I311-W391 HydrophobicContact CG1-CB 3.78Å; I311-W391 HydrophobicContact CG1-CG 4.31Å; I311-W391 PolarHBondContact N-O 3.15Å; I311-W391 PolarHBondContact O-N 3.22Å
312	V	96.4	Very high	87.5	Confident	21 Å²	21	33.8 Å²	33.8	13%	0.127	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.1	169.6	177.2	0	0	0	0	108.6	Q118 P120 F388 M390	Q118-V312 HydrophobicContact CB-CB 4.43Å; Q118-V312 WeakPolarHBondContact CB-O 3.36Å; Q118-V312 PolarHBondContact N-O 3.38Å; Q118-V312 PolarHBondContact O-N 2.94Å; P120-V312 HydrophobicContact CB-CG2 3.94Å; P120-V312 HydrophobicContact CG-CG2 4.06Å; V312-F388 HydrophobicContact CG1-CB 3.88Å; V312-F388 HydrophobicContact CG1-CD2 4.4Å; V312-M390 HydrophobicContact CG2-CE 4.35Å
313	V	95.6	Very high	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	136.7	178	58.1	0	0	0	0	111.3	V288 L315 F388 S389 W391	V288-V313 HydrophobicContact CG1-CG1 4.33Å; V288-V313 HydrophobicContact CG1-CG2 4.4Å; V288-V313 HydrophobicContact CG2-CG2 3.85Å; V313-L315 VanDerWaalsContact C-N 3.3Å; V313-L315 HydrophobicContact CG1-CD2 3.63Å; V313-L315 HydrophobicContact CG1-CG 3.91Å; V313-L315 HydrophobicContact CG2-CD2 4.42Å; V313-L315 PolarHBondContact O-N 3.44Å; V313-F388 WeakPolarHBondContact O-CB 3.41Å; V313-S389 PolarHBondContact N-O 3.07Å; V313-S389 PolarHBondContact O-N 3.24Å; V313-W391 HydrophobicContact CG1-CB 3.58Å; V313-W391 HydrophobicContact CG1-CG 4.45Å
314	K	94.4	Very high	92.1	Very high	33 Å²	33	26.9 Å²	26.9	14%	0.143	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-76.9	86.7	166.7	-170.5	-173.5	-176.5	79.8	0	108	Y110 Y113 R114 D115 H316 F388	Y110-K314 VanDerWaalsContact O-CD 3.24Å; Y110-K314 WeakPolarHBondContact O-CD 3.24Å; Y113-K314 WeakPolarHBondContact O-CB 3.39Å; R114-K314 HydrophobicContact CG-CD 4.25Å; D115-K314 PolarHBondContact N-O 3.47Å; K314-H316 PolarHBondContact O-N 2.98Å; K314-H316 VanDerWaalsContact O-N 3.17Å; K314-F388 HydrophobicContact CB-CB 4.34Å; K314-F388 HydrophobicContact CB-CD1 3.84Å; K314-F388 HydrophobicContact CB-CD2 3.85Å; K314-F388 HydrophobicContact CB-CE1 4.04Å; K314-F388 HydrophobicContact CB-CE2 4.05Å; K314-F388 HydrophobicContact CB-CG 3.75Å; K314-F388 HydrophobicContact CB-CZ 4.14Å; K314-F388 HydrophobicContact CD-CD1 4.41Å; K314-F388 HydrophobicContact CD-CE1 3.93Å; K314-F388 HydrophobicContact CD-CZ 4.11Å; K314-F388 HydrophobicContact CG-CD1 3.96Å; K314-F388 HydrophobicContact CG-CE1 3.99Å; K314-F388 HydrophobicContact CG-CG 4.38Å; K314-F388 HydrophobicContact CG-CZ 4.41Å
315	L	94.2	Very high	93.9	Very high	19 Å²	19	24.8 Å²	24.8	10%	0.099	14%	0.135	C	C	.	.			trans	-57.3	119.4	179.1	-69	174.5	0	0	0	110.2	A285 V288 V313 H318 A360 W391	A285-L315 HydrophobicContact CB-CD2 4.1Å; V288-L315 HydrophobicContact CG2-CD2 4.13Å; V313-L315 VanDerWaalsContact C-N 3.3Å; V313-L315 HydrophobicContact CG1-CD2 3.63Å; V313-L315 HydrophobicContact CG1-CG 3.91Å; V313-L315 HydrophobicContact CG2-CD2 4.42Å; V313-L315 PolarHBondContact O-N 3.44Å; L315-H318 HydrophobicContact CB-CB 4.37Å; L315-A360 HydrophobicContact CD1-CB 3.56Å; L315-W391 HydrophobicContact CD1-CE3 4.21Å; L315-W391 HydrophobicContact CD2-CE3 4.09Å
316	H	92.5	Very high	95.2	Very high	26 Å²	26	25.5 Å²	25.5	12%	0.12	14%	0.14	C	C	.	.			trans	-121.9	-65.6	179.6	-175.3	65.6	0	0	0	110	D67 H68 R114 D115 K314 H318	D67-H316 PolarHBondContact O-CE1 3.34Å; D67-H316 VanDerWaalsContact O-CE1 3.28Å; D67-H316 PolarHBondContact O-NE2 2.85Å; D67-H316 IonicContact OD1-CE1 3.93Å; D67-H316 IonicContact OD2-CE1 2.75Å; D67-H316 PolarHBondContact OD2-CE1 3.17Å; D67-H316 VanDerWaalsContact OD2-CE1 3.31Å; H68-H316 PolarHBondContact CE1-O 3.04Å; H68-H316 VanDerWaalsContact CE1-O 3.22Å; H68-H316 AromaticContact ND1-CD2 3.82Å; H68-H316 AromaticContact ND1-CE1 3.91Å; H68-H316 AromaticContact ND1-NE2 3.5Å; H68-H316 PolarHBondContact ND1-NE2 2.85Å; R114-H316 HydrophobicContact CB-CB 3.7Å; R114-H316 HydrophobicContact CG-CB 3.81Å; R114-H316 PolarHBondContact NH1-CE1 3.12Å; R114-H316 PolarHBondContact NH1-NE2 2.96Å; R114-H316 VanDerWaalsContact NH1-NE2 3.19Å; D115-H316 PolarHBondContact OD1-N 2.87Å; D115-H316 WeakPolarHBondContact OD2-CB 3.48Å; K314-H316 PolarHBondContact O-N 2.98Å; K314-H316 VanDerWaalsContact O-N 3.17Å; H316-H318 VanDerWaalsContact C-N 3.33Å; H316-H318 PolarHBondContact O-N 2.97Å; H316-H318 PolarHBondContact O-ND1 3.09Å
317	S	93.9	Very high	95.8	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.035	13%	0.134	C	C	.	.	S	Bend	trans	-78.1	79.2	172	-67.2	0	0	0	0	111.2	C29 D115	C29-S317 CarbonylContact O-C 3.54Å; C29-S317 VanDerWaalsContact O-CA 3.3Å; C29-S317 WeakPolarHBondContact O-CA 3.2Å; D115-S317 PolarHBondContact OD1-N 3.39Å; D115-S317 VanDerWaalsContact OD1-N 3.09Å; D115-S317 WeakPolarHBondContact OD2-CB 3.39Å; D115-S317 PolarHBondContact OD2-N 3.2Å; D115-S317 PolarHBondContact OD2-OG 2.85Å
318	H	95.8	Very high	96.2	Very high	52 Å²	52	23.7 Å²	23.7	24%	0.241	13%	0.129	C	C	.	.			trans	-144.6	160.7	-178.7	75.4	-69.4	0	0	0	113.6	C29 H284 A285 L315 H316	C29-H318 PolarHBondContact O-N 3.25Å; H284-H318 CarbonylContact O-C 3.5Å; H284-H318 WeakPolarHBondContact O-CA 3.45Å; H284-H318 WeakPolarHBondContact O-CB 3.49Å; A285-H318 HydrophobicContact CB-CB 4.04Å; L315-H318 HydrophobicContact CB-CB 4.37Å; H316-H318 VanDerWaalsContact C-N 3.33Å; H316-H318 PolarHBondContact O-N 2.97Å; H316-H318 PolarHBondContact O-ND1 3.09Å
319	F	96.6	Very high	96.4	Very high	9 Å²	9	28.2 Å²	28.2	4%	0.039	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.6	170.8	172.1	-119.8	0	0	0	109.7	D26 R27 A283 H284 I321 I352 C354	D26-F319 VanDerWaalsContact C-CD2 3.44Å; D26-F319 HydrophobicContact CB-CD2 3.7Å; D26-F319 HydrophobicContact CB-CE2 3.8Å; D26-F319 WeakPolarHBondContact O-CD2 3.19Å; R27-F319 HydrophobicContact CB-CD1 4.34Å; R27-F319 HydrophobicContact CB-CD2 4.4Å; R27-F319 HydrophobicContact CB-CE1 4.43Å; R27-F319 HydrophobicContact CB-CE2 4.49Å; R27-F319 HydrophobicContact CB-CG 4.33Å; R27-F319 HydrophobicContact CG-CD1 4.25Å; R27-F319 HydrophobicContact CG-CE1 4.44Å; A283-F319 CarbonylContact C-O 3.58Å; A283-F319 VanDerWaalsContact CA-O 3.26Å; A283-F319 WeakPolarHBondContact CA-O 3.34Å; H284-F319 HydrophobicContact CB-CB 4.14Å; H284-F319 PolarHBondContact N-O 3.34Å; H284-F319 PolarHBondContact O-N 2.82Å; F319-I321 HydrophobicContact CD1-CG1 3.89Å; F319-I321 HydrophobicContact CE1-CB 4.41Å; F319-I321 HydrophobicContact CE1-CG1 3.88Å; F319-I321 PolarHBondContact O-N 2.8Å; F319-I352 HydrophobicContact CE1-CD1 4.22Å; F319-I352 HydrophobicContact CE1-CG1 4.33Å; F319-I352 HydrophobicContact CZ-CD1 3.77Å; F319-I352 HydrophobicContact CZ-CG1 4.03Å; F319-C354 HydrophobicContact CD1-CB 4.28Å; F319-C354 HydrophobicContact CE1-CB 3.82Å
320	I	97.3	Very high	96.7	Very high	51 Å²	51	28 Å²	28	26%	0.262	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.6	172.3	-60.6	-57.9	0	0	0	108.9	A283 S322 A360 Y362	A283-I320 HydrophobicContact CB-CD1 3.87Å; I320-S322 VanDerWaalsContact CG2-O 3.24Å; I320-S322 WeakPolarHBondContact CG2-O 3.26Å; I320-A360 HydrophobicContact CD1-CB 3.92Å; I320-Y362 WeakPolarHBondContact CD1-OH 3.48Å
321	I	97.9	Very high	96.8	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	16%	0.163	C	C	.	.			trans	-77.5	-35.8	-174.6	-57.2	172.6	0	0	0	110.8	P282 F319 A350 P351 L356 L400 I406	P282-I321 HydrophobicContact CB-CB 4.25Å; P282-I321 HydrophobicContact CB-CD1 4.37Å; P282-I321 HydrophobicContact CG-CB 4.12Å; P282-I321 VanDerWaalsContact O-CB 3.32Å; P282-I321 WeakPolarHBondContact O-CB 3.49Å; P282-I321 PolarHBondContact O-N 3.36Å; F319-I321 HydrophobicContact CD1-CG1 3.89Å; F319-I321 HydrophobicContact CE1-CB 4.41Å; F319-I321 HydrophobicContact CE1-CG1 3.88Å; F319-I321 PolarHBondContact O-N 2.8Å; I321-A350 HydrophobicContact CG2-CB 4.19Å; I321-P351 WeakPolarHBondContact O-CD 3.25Å; I321-P351 WeakPolarHBondContact O-CG 3.22Å; I321-L356 HydrophobicContact CD1-CB 4.19Å; I321-L356 HydrophobicContact CD1-CD1 3.88Å; I321-L400 HydrophobicContact CD1-CD1 4.03Å; I321-I406 HydrophobicContact CG2-CD1 4.13Å
322	S	97.3	Very high	96.9	Very high	25 Å²	25	30.8 Å²	30.8	18%	0.175	17%	0.166	C	C	.	.	S	Bend	trans	-150.2	155.4	-177.8	-162.5	0	0	0	0	111.3	S281 I320	S281-S322 WeakPolarHBondContact CB-O 3.38Å; S281-S322 PolarHBondContact OG-O 3.47Å; I320-S322 VanDerWaalsContact CG2-O 3.24Å; I320-S322 WeakPolarHBondContact CG2-O 3.26Å
323	S	97.1	Very high	97	Very high	69 Å²	69	31.2 Å²	31.2	48%	0.483	17%	0.169	S	C	.	.			trans	-61.4	150.8	-177.1	56.8	0	0	0	0	112.3	K325 F348	S323-K325 PolarHBondContact O-N 3.17Å; S323-F348 WeakPolarHBondContact O-CE1 3.3Å
324	P	98.4	Very high	97.1	Very high	23 Å²	23	32 Å²	32	15%	0.149	17%	0.173	C	C	.	.			trans	-60.9	138.4	-176.4	-22	30.4	0	0	0	112.3	F279 V280 S281 Y362 V376	F279-P324 HydrophobicContact CB-CB 4.1Å; F279-P324 HydrophobicContact CD1-CB 4.49Å; V280-P324 WeakPolarHBondContact O-CA 3.44Å; S281-P324 WeakPolarHBondContact OG-CA 3.21Å; S281-P324 WeakPolarHBondContact OG-CD 3.4Å; S281-P324 WeakPolarHBondContact OG-CG 3.41Å; P324-Y362 HydrophobicContact CB-CD2 4.24Å; P324-Y362 HydrophobicContact CB-CE2 4.34Å; P324-Y362 HydrophobicContact CG-CD2 4.25Å; P324-Y362 HydrophobicContact CG-CE2 4Å; P324-V376 HydrophobicContact CB-CG1 3.87Å; P324-V376 HydrophobicContact CG-CG1 3.83Å
325	K	98.6	Very high	97.2	Very high	84 Å²	84	35.8 Å²	35.8	37%	0.365	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.3	172.3	-68.3	-176	-175.2	-166.9	0	110.6	F279 V280 S323 I346 H347 F348	F279-K325 CarbonylContact C-O 3.55Å; F279-K325 VanDerWaalsContact CA-O 3.28Å; F279-K325 WeakPolarHBondContact CA-O 3.09Å; V280-K325 PolarHBondContact N-O 3.17Å; V280-K325 PolarHBondContact O-N 2.89Å; S323-K325 PolarHBondContact O-N 3.17Å; K325-I346 HydrophobicContact CB-CG2 3.75Å; K325-I346 HydrophobicContact CD-CG2 3.74Å; K325-I346 HydrophobicContact CG-CG2 4.34Å; K325-H347 WeakPolarHBondContact CD-O 3.08Å; K325-H347 WeakPolarHBondContact CE-O 3.41Å; K325-H347 PolarHBondContact NZ-O 2.95Å; K325-F348 HydrophobicContact CB-CE1 3.75Å; K325-F348 HydrophobicContact CB-CZ 3.83Å; K325-F348 HydrophobicContact CD-CD1 3.81Å; K325-F348 HydrophobicContact CD-CE1 3.54Å; K325-F348 HydrophobicContact CD-CZ 4.05Å; K325-F348 HydrophobicContact CG-CD1 4.17Å; K325-F348 HydrophobicContact CG-CE1 3.5Å; K325-F348 VanDerWaalsContact CG-CE1 3.5Å; K325-F348 HydrophobicContact CG-CZ 4.07Å
326	S	98.4	Very high	97.2	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.203	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	145.6	179.6	140.3	0	0	0	0	111.7	E277 S278 K344	E277-S326 WeakPolarHBondContact OE1-CB 3.45Å; E277-S326 PolarHBondContact OE1-OG 3.09Å; S278-S326 CarbonylContact O-C 3.55Å; S278-S326 WeakPolarHBondContact O-CA 3.45Å; S326-K344 WeakPolarHBondContact O-CE 3.42Å; S326-K344 PolarHBondContact O-NZ 2.59Å; S326-K344 PolarHBondContact OG-NZ 2.89Å
327	V	98.7	Very high	97.2	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-90.1	-179.7	-169.2	0	0	0	0	110.7	F248 S278 V280 K344 I346 I410	F248-V327 HydrophobicContact CZ-CB 4.34Å; F248-V327 HydrophobicContact CZ-CG1 4.36Å; F248-V327 HydrophobicContact CZ-CG2 4.2Å; S278-V327 PolarHBondContact O-N 3.12Å; V280-V327 HydrophobicContact CB-CG2 4.06Å; V280-V327 HydrophobicContact CG1-CG2 3.73Å; V280-V327 HydrophobicContact CG2-CG2 3.49Å; V280-V327 VanDerWaalsContact CG2-CG2 3.49Å; V327-K344 WeakPolarHBondContact O-CD 3.24Å; V327-K344 PolarHBondContact O-NZ 3.13Å; V327-I346 HydrophobicContact CB-CD1 4.41Å; V327-I346 HydrophobicContact CG1-CD1 4.4Å; V327-I346 HydrophobicContact CG2-CD1 3.7Å; V327-I410 HydrophobicContact CG1-CD1 4.42Å; V327-I410 HydrophobicContact CG1-CG2 3.49Å; V327-I410 VanDerWaalsContact CG1-CG2 3.49Å
328	F	98.7	Very high	97.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.9	-177	-54.2	-42.4	0	0	0	110.5	E277 S278 F330 R342 K344 I410 R412 Y421	E277-F328 CarbonylContact C-O 3.4Å; E277-F328 WeakPolarHBondContact CA-O 3.42Å; S278-F328 PolarHBondContact N-O 2.99Å; S278-F328 PolarHBondContact OG-N 3.11Å; S278-F328 PolarHBondContact OG-O 3.1Å; F328-F330 HydrophobicContact CB-CE2 3.78Å; F328-F330 HydrophobicContact CB-CZ 4.4Å; F328-R342 HydrophobicContact CB-CG 4.19Å; F328-R342 HydrophobicContact CD1-CB 3.26Å; F328-R342 HydrophobicContact CD1-CG 3.83Å; F328-R342 HydrophobicContact CD2-CB 4.31Å; F328-R342 HydrophobicContact CE1-CB 3.34Å; F328-R342 HydrophobicContact CE1-CG 4.38Å; F328-R342 HydrophobicContact CE2-CB 4.37Å; F328-R342 HydrophobicContact CG-CB 3.78Å; F328-R342 HydrophobicContact CG-CG 3.96Å; F328-R342 HydrophobicContact CZ-CB 3.91Å; F328-K344 HydrophobicContact CE1-CB 4.06Å; F328-I410 HydrophobicContact CE1-CG2 4.38Å; F328-I410 HydrophobicContact CE2-CD1 4.48Å; F328-I410 HydrophobicContact CE2-CG1 4.21Å; F328-I410 HydrophobicContact CZ-CB 4.42Å; F328-I410 HydrophobicContact CZ-CG1 4.1Å; F328-I410 HydrophobicContact CZ-CG2 3.88Å; F328-R412 HydrophobicContact CD2-CB 4.08Å; F328-R412 HydrophobicContact CE2-CB 3.69Å; F328-R412 HydrophobicContact CZ-CB 4.16Å; F328-Y421 HydrophobicContact CD2-CE1 4.37Å; F328-Y421 HydrophobicContact CE2-CD1 4.19Å; F328-Y421 HydrophobicContact CE2-CE1 4.2Å
329	R	98.4	Very high	97.3	Very high	111 Å²	111	53.7 Å²	53.7	42%	0.419	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138	177.2	-176.4	-178	177.5	107.3	-2.8	109.4	Y276 E277	Y276-R329 WeakPolarHBondContact O-CA 3.25Å; E277-R329 HydrophobicContact CB-CB 4.36Å; E277-R329 HydrophobicContact CB-CG 4.38Å; E277-R329 HydrophobicContact CG-CB 4.27Å; E277-R329 IonicContact OE2-NH1 3.27Å
330	F	98.6	Very high	97.3	Very high	6 Å²	6	54 Å²	54	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.3	174.7	-61.2	-92.4	0	0	0	108.7	D250 P255 Y275 Y276 F328 N340 R342	D250-F330 HydrophobicContact CB-CD2 3.86Å; D250-F330 HydrophobicContact CB-CE2 3.63Å; D250-F330 HydrophobicContact CB-CZ 4.41Å; P255-F330 HydrophobicContact CB-CD1 3.62Å; P255-F330 HydrophobicContact CB-CE1 3.92Å; P255-F330 HydrophobicContact CB-CG 4.16Å; P255-F330 HydrophobicContact CG-CB 4.23Å; P255-F330 HydrophobicContact CG-CD1 3.54Å; P255-F330 HydrophobicContact CG-CD2 3.96Å; P255-F330 HydrophobicContact CG-CE1 3.8Å; P255-F330 HydrophobicContact CG-CE2 4.21Å; P255-F330 HydrophobicContact CG-CG 3.63Å; P255-F330 HydrophobicContact CG-CZ 4.13Å; Y275-F330 CarbonylContact C-O 3.57Å; Y275-F330 WeakPolarHBondContact CA-O 3.45Å; Y275-F330 WeakPolarHBondContact CB-O 3.34Å; Y276-F330 HydrophobicContact CD2-CB 4.22Å; Y276-F330 HydrophobicContact CD2-CD2 4.34Å; Y276-F330 HydrophobicContact CE2-CB 3.61Å; Y276-F330 AromaticContact CE2-CD2 3.87Å; Y276-F330 HydrophobicContact CE2-CD2 3.87Å; Y276-F330 HydrophobicContact CE2-CG 4.04Å; Y276-F330 PolarHBondContact N-O 3.49Å; Y276-F330 PolarHBondContact O-N 3.16Å; F328-F330 HydrophobicContact CB-CE2 3.78Å; F328-F330 HydrophobicContact CB-CZ 4.4Å; F330-N340 HydrophobicContact CE1-CB 4.14Å; F330-R342 HydrophobicContact CE1-CG 4.37Å; F330-R342 HydrophobicContact CZ-CG 3.81Å
331	A	98.4	Very high	97.4	Very high	54 Å²	54	54.9 Å²	54.9	45%	0.446	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.2	-179.1	0	0	0	0	0	109.6	C274	C274-A331 WeakPolarHBondContact O-CA 3.32Å
332	H	98.4	Very high	97.4	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.065	30%	0.301	C	S	.	.	S	Bend	trans	-128	134	-175.4	-64.1	-65.9	0	0	0	110	L258 S271 C274 Y276	L258-H332 WeakPolarHBondContact CB-ND1 3.24Å; L258-H332 HydrophobicContact CD1-CB 4.31Å; S271-H332 WeakPolarHBondContact OG-CB 3.4Å; C274-H332 PolarHBondContact O-N 3.2Å; Y276-H332 AromaticContact CE1-CD2 3.56Å; Y276-H332 AromaticContact CE1-NE2 3.51Å; Y276-H332 AromaticContact CZ-CD2 3.95Å; Y276-H332 AromaticContact CZ-NE2 3.4Å; Y276-H332 PolarHBondContact OH-NE2 3.31Å
333	P	98.5	Very high	97.5	Very high	30 Å²	30	62 Å²	62	20%	0.195	31%	0.314	C	S	.	.	S	Bend	cis	-73.8	140.2	-1.3	28.3	-33.3	0	0	0	113.9	L262 L265 R335	L262-P333 HydrophobicContact CD1-CB 3.53Å; L265-P333 HydrophobicContact CD2-CB 3.77Å; L265-P333 HydrophobicContact CD2-CG 3.91Å; P333-R335 HydrophobicContact CB-CG 4.18Å; P333-R335 HydrophobicContact CG-CG 4.1Å; P333-R335 VanDerWaalsContact CG-CZ 3.49Å; P333-R335 PolarHBondContact O-N 2.95Å
334	N	97.5	Very high	97.5	Very high	17 Å²	17	61.8 Å²	61.8	9%	0.091	31%	0.305	C	S	.	.			trans	-80	64.4	174.4	-174.6	14	0	0	0	111.6	D259 D336 Q337 L338	D259-N334 WeakPolarHBondContact OD1-CB 3.19Å; D259-N334 PolarHBondContact OD1-ND2 3.5Å; D259-N334 VanDerWaalsContact OD1-ND2 3.09Å; D259-N334 PolarHBondContact OD2-ND2 3.43Å; N334-D336 PolarHBondContact O-N 3.3Å; N334-Q337 PolarHBondContact O-N 3.06Å; N334-Q337 VanDerWaalsContact O-N 3.07Å; N334-Q337 PolarHBondContact OD1-N 2.97Å; N334-L338 PolarHBondContact ND2-N 3.05Å; N334-L338 PolarHBondContact ND2-O 3.2Å; N334-L338 PolarHBondContact OD1-N 3.09Å
335	R	95.5	Very high	97.6	Very high	112 Å²	112	67.3 Å²	67.3	42%	0.423	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.5	-176.4	-63	-170.9	-177.3	96.6	3.9	113.2	E267 G269 P333 Q337	E267-R335 PolarHBondContact O-NE 3.45Å; E267-R335 PolarHBondContact O-NH2 3.33Å; G269-R335 PolarHBondContact O-NH2 3.18Å; G269-R335 VanDerWaalsContact O-NH2 3.14Å; P333-R335 HydrophobicContact CB-CG 4.18Å; P333-R335 HydrophobicContact CG-CG 4.1Å; P333-R335 VanDerWaalsContact CG-CZ 3.49Å; P333-R335 PolarHBondContact O-N 2.95Å; R335-Q337 PolarHBondContact O-N 3.22Å
336	D	94.4	Very high	97.6	Very high	138 Å²	138	63.7 Å²	63.7	74%	0.738	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.8	178.7	-61.9	-40.4	0	0	0	113	N334 L338	N334-D336 PolarHBondContact O-N 3.3Å; D336-L338 HydrophobicContact CB-CD2 4.26Å; D336-L338 HydrophobicContact CB-CG 4.08Å; D336-L338 PolarHBondContact O-N 3.23Å
337	Q	92.6	Very high	97.6	Very high	159 Å²	159	65.8 Å²	65.8	74%	0.743	31%	0.314	S	S	*	.			trans	50.6	42.2	-178.8	-58.8	-178.8	-1.2	0	0	112.1	N334 R335	N334-Q337 PolarHBondContact O-N 3.06Å; N334-Q337 VanDerWaalsContact O-N 3.07Å; N334-Q337 PolarHBondContact OD1-N 2.97Å; R335-Q337 PolarHBondContact O-N 3.22Å
338	L	95.7	Very high	97.6	Very high	96 Å²	96	65.7 Å²	65.7	50%	0.503	31%	0.313	S	S	.	.			trans	-60	133.1	177.6	-63.8	176.8	0	0	0	108.4	N334 D336	N334-L338 PolarHBondContact ND2-N 3.05Å; N334-L338 PolarHBondContact ND2-O 3.2Å; N334-L338 PolarHBondContact OD1-N 3.09Å; D336-L338 HydrophobicContact CB-CD2 4.26Å; D336-L338 HydrophobicContact CB-CG 4.08Å; D336-L338 PolarHBondContact O-N 3.23Å
339	P	96.3	Very high	97.6	Very high	86 Å²	86	71.2 Å²	71.2	56%	0.558	34%	0.339	S	S	*	.			trans	-59.9	149.2	-178.7	25.5	-34.5	0	0	0	109.5	N341 R342	P339-N341 VanDerWaalsContact C-N 3.32Å; P339-N341 PolarHBondContact O-N 3.13Å; P339-R342 PolarHBondContact O-NH1 3.32Å; P339-R342 PolarHBondContact O-NH2 3.45Å
340	N	97.7	Very high	97.5	Very high	15 Å²	15	66 Å²	66	8%	0.08	32%	0.319	C	S	.	.	S	Bend	trans	-86.7	-0.2	178.3	-71	-34.8	0	0	0	114.6	E256 D259 F330 R412	E256-N340 WeakPolarHBondContact OE1-CB 3.35Å; D259-N340 PolarHBondContact OD2-ND2 2.9Å; F330-N340 HydrophobicContact CE1-CB 4.14Å; N340-R412 PolarHBondContact O-NH1 3.41Å
341	N	98.3	Very high	97.4	Very high	70 Å²	70	67.6 Å²	67.6	37%	0.374	33%	0.33	S	S	.	.			trans	-68.4	136.3	170.5	-72.7	-77.1	0	0	0	110.5	P339 R412 F413 S414	P339-N341 VanDerWaalsContact C-N 3.32Å; P339-N341 PolarHBondContact O-N 3.13Å; N341-R412 CarbonylContact C-O 3.46Å; N341-R412 VanDerWaalsContact CA-O 3.31Å; N341-R412 WeakPolarHBondContact CA-O 3.34Å; N341-F413 VanDerWaalsContact OD1-CA 3.25Å; N341-F413 WeakPolarHBondContact OD1-CA 3.32Å; N341-S414 PolarHBondContact ND2-O 3.38Å; N341-S414 VanDerWaalsContact ND2-O 3.12Å; N341-S414 PolarHBondContact OD1-N 2.79Å; N341-S414 PolarHBondContact OD1-O 3.2Å
342	R	98.2	Very high	97.3	Very high	59 Å²	59	65.6 Å²	65.6	22%	0.223	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.3	-178.7	-55.6	-82.5	172	-92.6	-4.7	111.2	F328 F330 P339 W411 R412	F328-R342 HydrophobicContact CB-CG 4.19Å; F328-R342 HydrophobicContact CD1-CB 3.26Å; F328-R342 HydrophobicContact CD1-CG 3.83Å; F328-R342 HydrophobicContact CD2-CB 4.31Å; F328-R342 HydrophobicContact CE1-CB 3.34Å; F328-R342 HydrophobicContact CE1-CG 4.38Å; F328-R342 HydrophobicContact CE2-CB 4.37Å; F328-R342 HydrophobicContact CG-CB 3.78Å; F328-R342 HydrophobicContact CG-CG 3.96Å; F328-R342 HydrophobicContact CZ-CB 3.91Å; F330-R342 HydrophobicContact CE1-CG 4.37Å; F330-R342 HydrophobicContact CZ-CG 3.81Å; P339-R342 PolarHBondContact O-NH1 3.32Å; P339-R342 PolarHBondContact O-NH2 3.45Å; R342-W411 CarbonylContact O-C 3.54Å; R342-W411 VanDerWaalsContact O-CA 3.31Å; R342-W411 WeakPolarHBondContact O-CA 3.11Å; R342-R412 HydrophobicContact CB-CB 4.06Å; R342-R412 HydrophobicContact CG-CB 4.48Å; R342-R412 PolarHBondContact N-O 2.82Å; R342-R412 PolarHBondContact O-N 3.13Å
343	Y	98.6	Very high	97.3	Very high	119 Å²	119	68.6 Å²	68.6	47%	0.467	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.5	168.4	162.5	-117.6	0	0	0	108.6	H409 I410 W411	Y343-H409 HydrophobicContact CE2-CB 4.2Å; Y343-H409 AromaticContact CE2-ND1 3.7Å; Y343-H409 AromaticContact CZ-ND1 3.78Å; Y343-H409 PolarHBondContact OH-CE1 3.44Å; Y343-H409 VanDerWaalsContact OH-CE1 3.28Å; Y343-H409 PolarHBondContact OH-ND1 3.5Å; Y343-I410 WeakPolarHBondContact CA-O 3.09Å; Y343-W411 AromaticContact CD2-CD1 3.61Å; Y343-W411 AromaticContact CD2-CD2 3.89Å; Y343-W411 HydrophobicContact CD2-CD2 3.89Å; Y343-W411 AromaticContact CD2-CE2 3.36Å; Y343-W411 HydrophobicContact CD2-CG 4.03Å; Y343-W411 AromaticContact CD2-CZ2 3.86Å; Y343-W411 HydrophobicContact CD2-CZ2 3.86Å; Y343-W411 AromaticContact CD2-NE1 3.15Å; Y343-W411 HydrophobicContact CE2-CD2 4.4Å; Y343-W411 AromaticContact CE2-CE2 3.65Å; Y343-W411 HydrophobicContact CE2-CH2 4.35Å; Y343-W411 AromaticContact CE2-CZ2 3.62Å; Y343-W411 HydrophobicContact CE2-CZ2 3.62Å; Y343-W411 AromaticContact CE2-NE1 3.83Å; Y343-W411 AromaticContact CG-CD1 3.96Å; Y343-W411 AromaticContact CG-NE1 3.66Å
344	K	98.6	Very high	97.2	Very high	65 Å²	65	67.6 Å²	67.6	28%	0.283	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.5	168.9	-159.5	156.6	175	178.2	0	112.3	S326 V327 F328 I346 H409 I410	S326-K344 WeakPolarHBondContact O-CE 3.42Å; S326-K344 PolarHBondContact O-NZ 2.59Å; S326-K344 PolarHBondContact OG-NZ 2.89Å; V327-K344 WeakPolarHBondContact O-CD 3.24Å; V327-K344 PolarHBondContact O-NZ 3.13Å; F328-K344 HydrophobicContact CE1-CB 4.06Å; K344-I346 HydrophobicContact CB-CG1 4.43Å; K344-I346 HydrophobicContact CD-CD1 4.48Å; K344-I346 HydrophobicContact CD-CG1 4.38Å; K344-I346 HydrophobicContact CG-CD1 4.38Å; K344-I346 HydrophobicContact CG-CG1 3.89Å; K344-H409 WeakPolarHBondContact O-CA 3.32Å; K344-I410 HydrophobicContact CB-CG2 4.36Å; K344-I410 PolarHBondContact N-O 2.98Å; K344-I410 PolarHBondContact O-N 2.77Å
345	R	98.8	Very high	97.2	Very high	139 Å²	139	68.7 Å²	68.7	53%	0.525	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.2	168.8	-175	173.9	59.7	176.1	-1.6	109.2	E407 L408	R345-E407 HydrophobicContact CG-CG 3.98Å; R345-L408 CarbonylContact C-O 3.59Å; R345-L408 WeakPolarHBondContact CA-O 3.31Å
346	I	98.7	Very high	97.4	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.4	-173.2	-48.4	174.8	0	0	0	108.6	V280 K325 V327 K344 F348 E407 L408	V280-I346 HydrophobicContact CG2-CD1 3.73Å; K325-I346 HydrophobicContact CB-CG2 3.75Å; K325-I346 HydrophobicContact CD-CG2 3.74Å; K325-I346 HydrophobicContact CG-CG2 4.34Å; V327-I346 HydrophobicContact CB-CD1 4.41Å; V327-I346 HydrophobicContact CG1-CD1 4.4Å; V327-I346 HydrophobicContact CG2-CD1 3.7Å; K344-I346 HydrophobicContact CB-CG1 4.43Å; K344-I346 HydrophobicContact CD-CD1 4.48Å; K344-I346 HydrophobicContact CD-CG1 4.38Å; K344-I346 HydrophobicContact CG-CD1 4.38Å; K344-I346 HydrophobicContact CG-CG1 3.89Å; I346-F348 HydrophobicContact CB-CE2 3.94Å; I346-F348 HydrophobicContact CB-CZ 4.42Å; I346-F348 HydrophobicContact CG2-CD2 4.1Å; I346-F348 HydrophobicContact CG2-CE1 4.27Å; I346-F348 HydrophobicContact CG2-CE2 3.33Å; I346-F348 HydrophobicContact CG2-CZ 3.44Å; I346-F348 VanDerWaalsContact CG2-CZ 3.44Å; I346-E407 WeakPolarHBondContact O-CA 3.44Å; I346-L408 HydrophobicContact CD1-CD2 4.39Å; I346-L408 PolarHBondContact N-O 3.11Å; I346-L408 PolarHBondContact O-N 2.85Å
347	H	98.7	Very high	97.5	Very high	73 Å²	73	56.8 Å²	56.8	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.6	177.8	-60.9	77.1	0	0	0	109.4	K325 T405 I406 E407	K325-H347 WeakPolarHBondContact CD-O 3.08Å; K325-H347 WeakPolarHBondContact CE-O 3.41Å; K325-H347 PolarHBondContact NZ-O 2.95Å; H347-T405 HydrophobicContact CB-CG2 4.25Å; H347-I406 CarbonylContact C-O 3.57Å; H347-I406 VanDerWaalsContact CA-O 3.32Å; H347-I406 WeakPolarHBondContact CA-O 3.48Å; H347-E407 IonicContact CD2-OE2 2.59Å; H347-E407 IonicContact NE2-OE2 2.82Å; H347-E407 PolarHBondContact NE2-OE2 2.96Å
348	F	98.7	Very high	97.7	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.022	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	169.6	170.2	-56.2	-93.7	0	0	0	109.7	V280 P282 S323 K325 I346 F359 T405 I406	V280-F348 HydrophobicContact CG2-CE2 4.43Å; V280-F348 HydrophobicContact CG2-CZ 4Å; V280-F348 WeakPolarHBondContact O-CZ 3.46Å; P282-F348 VanDerWaalsContact CD-CE1 3.45Å; P282-F348 HydrophobicContact CG-CB 3.78Å; P282-F348 HydrophobicContact CG-CD1 3.84Å; P282-F348 HydrophobicContact CG-CD2 4.04Å; P282-F348 HydrophobicContact CG-CE1 4.37Å; P282-F348 HydrophobicContact CG-CG 3.63Å; S323-F348 WeakPolarHBondContact O-CE1 3.3Å; K325-F348 HydrophobicContact CB-CE1 3.75Å; K325-F348 HydrophobicContact CB-CZ 3.83Å; K325-F348 HydrophobicContact CD-CD1 3.81Å; K325-F348 HydrophobicContact CD-CE1 3.54Å; K325-F348 HydrophobicContact CD-CZ 4.05Å; K325-F348 HydrophobicContact CG-CD1 4.17Å; K325-F348 HydrophobicContact CG-CE1 3.5Å; K325-F348 VanDerWaalsContact CG-CE1 3.5Å; K325-F348 HydrophobicContact CG-CZ 4.07Å; I346-F348 HydrophobicContact CB-CE2 3.94Å; I346-F348 HydrophobicContact CB-CZ 4.42Å; I346-F348 HydrophobicContact CG2-CD2 4.1Å; I346-F348 HydrophobicContact CG2-CE1 4.27Å; I346-F348 HydrophobicContact CG2-CE2 3.33Å; I346-F348 HydrophobicContact CG2-CZ 3.44Å; I346-F348 VanDerWaalsContact CG2-CZ 3.44Å; F348-F359 HydrophobicContact CE2-CE1 4.38Å; F348-T405 CarbonylContact O-C 3.55Å; F348-T405 VanDerWaalsContact O-CA 3.27Å; F348-T405 WeakPolarHBondContact O-CA 3.42Å; F348-I406 HydrophobicContact CB-CB 4.24Å; F348-I406 HydrophobicContact CB-CD1 4.42Å; F348-I406 PolarHBondContact N-O 3.38Å; F348-I406 PolarHBondContact O-N 3.2Å
349	E	98.3	Very high	97.9	Very high	120 Å²	120	44.6 Å²	44.6	56%	0.561	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.1	175.9	-170.1	178.9	147.9	0	0	109.4
350	A	98	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.			trans	-82.9	117.8	175.9	0	0	0	0	0	110.7	I321 I352 L400 G403 Q404	I321-A350 HydrophobicContact CG2-CB 4.19Å; A350-I352 VanDerWaalsContact C-N 3.3Å; A350-I352 PolarHBondContact O-N 3.28Å; A350-L400 HydrophobicContact CB-CB 4.08Å; A350-L400 HydrophobicContact CB-CD1 4.15Å; A350-G403 PolarHBondContact O-N 3.46Å; A350-Q404 PolarHBondContact N-O 3.33Å
351	P	96.1	Very high	98	Very high	40 Å²	40	39.8 Å²	39.8	26%	0.26	18%	0.184	S	C	.	.	S	Bend	trans	-73.8	-23.7	-177	29	-34.6	0	0	0	113.1	I321 K402	I321-P351 WeakPolarHBondContact O-CD 3.25Å; I321-P351 WeakPolarHBondContact O-CG 3.22Å; P351-K402 WeakPolarHBondContact O-CD 3.3Å; P351-K402 WeakPolarHBondContact O-CE 3.28Å; P351-K402 VanDerWaalsContact O-CG 3.25Å; P351-K402 WeakPolarHBondContact O-CG 3.37Å
352	I	96.5	Very high	98	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.067	17%	0.168	C	C	.	.	S	Bend	trans	-140.2	169.1	179.1	57.6	170.8	0	0	0	110.6	N21 E23 R27 F319 A350 C354	N21-I352 WeakPolarHBondContact ND2-CG2 3.05Å; E23-I352 HydrophobicContact CB-CD1 4.12Å; E23-I352 HydrophobicContact CB-CG2 4.3Å; E23-I352 WeakPolarHBondContact OE2-CG2 3.4Å; R27-I352 HydrophobicContact CB-CD1 3.92Å; R27-I352 HydrophobicContact CG-CD1 4.34Å; F319-I352 HydrophobicContact CE1-CD1 4.22Å; F319-I352 HydrophobicContact CE1-CG1 4.33Å; F319-I352 HydrophobicContact CZ-CD1 3.77Å; F319-I352 HydrophobicContact CZ-CG1 4.03Å; A350-I352 VanDerWaalsContact C-N 3.3Å; A350-I352 PolarHBondContact O-N 3.28Å; I352-C354 HydrophobicContact CG1-CB 4.41Å; I352-C354 PolarHBondContact O-N 3.44Å
353	D	97.6	Very high	98.1	Very high	76 Å²	76	34 Å²	34	41%	0.406	16%	0.157	S	C	.	.	S	Bend	trans	-62.6	122.5	165.2	-79.5	20.9	0	0	0	109.4	R27 L400 K401 K402	R27-D353 WeakPolarHBondContact CD-O 3.37Å; D353-L400 WeakPolarHBondContact CA-O 3.2Å; D353-K401 WeakPolarHBondContact OD1-CA 3.49Å; D353-K401 VanDerWaalsContact OD2-CD 3.23Å; D353-K401 WeakPolarHBondContact OD2-CD 3.21Å; D353-K401 IonicContact OD2-NZ 3.71Å; D353-K401 PolarHBondContact OD2-NZ 3.21Å; D353-K402 PolarHBondContact OD1-N 3.41Å
354	C	97.3	Very high	98.1	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.068	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-171.5	-175.5	66.7	0	0	0	0	111.8	R27 F319 I352 L400	R27-C354 HydrophobicContact CG-CB 4.42Å; F319-C354 HydrophobicContact CD1-CB 4.28Å; F319-C354 HydrophobicContact CE1-CB 3.82Å; I352-C354 HydrophobicContact CG1-CB 4.41Å; I352-C354 PolarHBondContact O-N 3.44Å; C354-L400 PolarHBondContact N-O 3.22Å; C354-L400 VanDerWaalsContact N-O 3.09Å; C354-L400 PolarHBondContact O-N 2.87Å
355	V	97.1	Very high	98.1	Very high	39 Å²	39	28.6 Å²	28.6	24%	0.236	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125	178.7	178.1	0	0	0	0	109.1	H284 S397 I398	H284-V355 WeakPolarHBondContact CB-O 3.36Å; H284-V355 PolarHBondContact ND1-O 3.22Å; H284-V355 VanDerWaalsContact ND1-O 3.16Å; V355-S397 VanDerWaalsContact CG1-CB 3.49Å; V355-I398 CarbonylContact C-O 3.57Å; V355-I398 WeakPolarHBondContact CA-O 3.48Å
356	L	98.1	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.7	169.7	179.5	64.7	0	0	0	109.4	P282 I321 G358 F359 L394 S397 I398 L400 I406 V425	P282-L356 HydrophobicContact CB-CD1 3.63Å; I321-L356 HydrophobicContact CD1-CB 4.19Å; I321-L356 HydrophobicContact CD1-CD1 3.88Å; L356-G358 WeakPolarHBondContact CD1-O 3.38Å; L356-F359 HydrophobicContact CD1-CZ 4.45Å; L356-F359 HydrophobicContact CD2-CZ 4.28Å; L356-L394 HydrophobicContact CD2-CD1 3.8Å; L356-L394 HydrophobicContact CG-CD1 3.79Å; L356-S397 CarbonylContact O-C 3.54Å; L356-S397 WeakPolarHBondContact O-CA 3.48Å; L356-S397 WeakPolarHBondContact O-CB 3.38Å; L356-I398 HydrophobicContact CB-CB 4.25Å; L356-I398 HydrophobicContact CD2-CD1 4.31Å; L356-I398 PolarHBondContact N-O 3.41Å; L356-I398 PolarHBondContact O-N 3.01Å; L356-L400 HydrophobicContact CB-CD1 3.77Å; L356-L400 HydrophobicContact CB-CG 4.26Å; L356-I406 HydrophobicContact CD2-CG2 3.67Å; L356-V425 HydrophobicContact CD2-CG2 4.4Å
357	G	96.6	Very high	98.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-28.1	173.5	0	0	0	0	0	113.4	A283 L394	A283-G357 PolarHBondContact O-N 2.96Å; G357-L394 WeakPolarHBondContact O-CB 3.24Å; G357-L394 PolarHBondContact O-N 3.49Å
358	G	98	Very high	98.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-156.4	-174.1	0	0	0	0	0	111.2	A283 L356 I392	A283-G358 PolarHBondContact N-O 3.33Å; A283-G358 PolarHBondContact O-N 2.96Å; A283-G358 VanDerWaalsContact O-N 3.12Å; A283-G358 VanDerWaalsContact O-O 3.14Å; L356-G358 WeakPolarHBondContact CD1-O 3.38Å; G358-I392 CarbonylContact C-O 3.55Å; G358-I392 WeakPolarHBondContact CA-O 3.47Å
359	F	98.7	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.6	177.5	-54.8	-99.1	0	0	0	110.5	V280 S281 P282 F348 L356 I392 L394 I406 L408 V425	V280-F359 HydrophobicContact CB-CB 4.32Å; S281-F359 CarbonylContact O-C 3.57Å; S281-F359 WeakPolarHBondContact O-CA 3.44Å; P282-F359 HydrophobicContact CB-CD1 4.02Å; P282-F359 HydrophobicContact CB-CE1 3.85Å; F348-F359 HydrophobicContact CE2-CE1 4.38Å; L356-F359 HydrophobicContact CD1-CZ 4.45Å; L356-F359 HydrophobicContact CD2-CZ 4.28Å; F359-I392 HydrophobicContact CB-CB 4.14Å; F359-I392 HydrophobicContact CB-CD1 4.43Å; F359-I392 PolarHBondContact N-O 2.82Å; F359-I392 PolarHBondContact O-N 2.86Å; F359-L394 HydrophobicContact CE2-CD2 4.35Å; F359-I406 HydrophobicContact CE1-CG2 4.36Å; F359-I406 HydrophobicContact CZ-CG2 4.25Å; F359-L408 HydrophobicContact CD1-CD2 3.8Å; F359-L408 HydrophobicContact CD2-CD1 4.21Å; F359-L408 HydrophobicContact CD2-CD2 4.41Å; F359-L408 HydrophobicContact CE1-CB 3.9Å; F359-L408 HydrophobicContact CE1-CD1 4.33Å; F359-L408 HydrophobicContact CE1-CD2 3.77Å; F359-L408 HydrophobicContact CE1-CG 4.21Å; F359-L408 HydrophobicContact CE2-CD1 3.72Å; F359-L408 HydrophobicContact CE2-CD2 4.4Å; F359-L408 HydrophobicContact CE2-CG 4.47Å; F359-L408 HydrophobicContact CG-CD2 4.15Å; F359-L408 HydrophobicContact CZ-CB 3.85Å; F359-L408 HydrophobicContact CZ-CD1 3.8Å; F359-L408 HydrophobicContact CZ-CD2 4.1Å; F359-L408 HydrophobicContact CZ-CG 4.11Å; F359-V425 HydrophobicContact CE2-CG2 3.89Å; F359-V425 HydrophobicContact CZ-CG2 3.77Å
360	A	98.6	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.1	166.4	0	0	0	0	0	108.6	V280 S281 A283 L315 I320 Y362 M390	V280-A360 CarbonylContact C-O 3.38Å; V280-A360 VanDerWaalsContact CA-O 3.26Å; V280-A360 WeakPolarHBondContact CA-O 3.07Å; S281-A360 PolarHBondContact N-O 2.88Å; S281-A360 PolarHBondContact O-N 3.48Å; A283-A360 HydrophobicContact CB-CB 4.35Å; L315-A360 HydrophobicContact CD1-CB 3.56Å; I320-A360 HydrophobicContact CD1-CB 3.92Å; A360-Y362 HydrophobicContact CB-CE1 4.41Å; A360-Y362 HydrophobicContact CB-CE2 4.05Å; A360-Y362 VanDerWaalsContact CB-OH 3.24Å; A360-Y362 WeakPolarHBondContact CB-OH 3.39Å; A360-Y362 WeakPolarHBondContact O-CE2 3.24Å; A360-M390 CarbonylContact C-O 3.54Å; A360-M390 WeakPolarHBondContact CA-O 3.39Å
361	G	98.7	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.3	-179.9	0	0	0	0	0	111.8	F279 S389 M390	F279-G361 CarbonylContact O-C 3.56Å; F279-G361 VanDerWaalsContact O-CA 3.28Å; F279-G361 WeakPolarHBondContact O-CA 3.47Å; G361-S389 WeakPolarHBondContact O-CA 3.38Å; G361-M390 PolarHBondContact N-O 3.29Å; G361-M390 PolarHBondContact O-N 2.81Å
362	Y	98.6	Very high	98.1	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.027	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	177.4	-177.8	-42.2	-81.9	0	0	0	109.6	S247 S278 F279 I320 P324 A360 T375 P377 S389	S247-Y362 CarbonylContact O-C 3.5Å; S278-Y362 CarbonylContact C-O 3.51Å; S278-Y362 WeakPolarHBondContact CA-O 3.41Å; F279-Y362 HydrophobicContact CB-CD2 4.37Å; F279-Y362 PolarHBondContact N-O 3.01Å; F279-Y362 PolarHBondContact O-N 3.17Å; I320-Y362 WeakPolarHBondContact CD1-OH 3.48Å; P324-Y362 HydrophobicContact CB-CD2 4.24Å; P324-Y362 HydrophobicContact CB-CE2 4.34Å; P324-Y362 HydrophobicContact CG-CD2 4.25Å; P324-Y362 HydrophobicContact CG-CE2 4Å; A360-Y362 HydrophobicContact CB-CE1 4.41Å; A360-Y362 HydrophobicContact CB-CE2 4.05Å; A360-Y362 VanDerWaalsContact CB-OH 3.24Å; A360-Y362 WeakPolarHBondContact CB-OH 3.39Å; A360-Y362 WeakPolarHBondContact O-CE2 3.24Å; Y362-T375 VanDerWaalsContact CD1-O 3.31Å; Y362-T375 WeakPolarHBondContact CD1-O 3.42Å; Y362-P377 HydrophobicContact CD1-CG 4.38Å; Y362-P377 HydrophobicContact CE1-CG 3.79Å; Y362-P377 HydrophobicContact CE2-CG 4.33Å; Y362-S389 WeakPolarHBondContact CE1-OG 3.32Å
363	F	98.7	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.7	169.5	79.9	-83.1	0	0	0	112.6	L245 G246 E277 A365 T375 W387	L245-F363 HydrophobicContact CB-CE2 4.38Å; L245-F363 HydrophobicContact CB-CZ 4.46Å; L245-F363 HydrophobicContact CD1-CD2 4.34Å; L245-F363 HydrophobicContact CD1-CE2 3.72Å; L245-F363 HydrophobicContact CD1-CZ 4.4Å; G246-F363 WeakPolarHBondContact O-CD1 3.45Å; E277-F363 CarbonylContact O-C 3.52Å; E277-F363 WeakPolarHBondContact O-CA 3.35Å; F363-A365 HydrophobicContact CD2-CB 4.11Å; F363-A365 HydrophobicContact CE2-CB 3.91Å; F363-T375 HydrophobicContact CD1-CG2 3.98Å; F363-T375 WeakPolarHBondContact CD1-OG1 3.5Å; F363-T375 HydrophobicContact CE1-CG2 3.55Å; F363-T375 HydrophobicContact CZ-CG2 4.26Å; F363-T375 PolarHBondContact N-OG1 3.33Å; F363-T375 PolarHBondContact O-N 3.06Å; F363-T375 PolarHBondContact O-OG1 3.36Å; F363-W387 HydrophobicContact CE1-CB 4.11Å; F363-W387 AromaticContact CE1-CD2 3.68Å; F363-W387 HydrophobicContact CE1-CD2 3.68Å; F363-W387 HydrophobicContact CE1-CE3 4.06Å; F363-W387 AromaticContact CE1-CG 3.69Å; F363-W387 HydrophobicContact CE1-CG 3.69Å; F363-W387 AromaticContact CZ-CD2 3.67Å; F363-W387 HydrophobicContact CZ-CD2 3.67Å; F363-W387 AromaticContact CZ-CE2 3.85Å; F363-W387 AromaticContact CZ-CE3 3.76Å; F363-W387 HydrophobicContact CZ-CE3 3.76Å; F363-W387 HydrophobicContact CZ-CG 4.2Å; F363-W387 HydrophobicContact CZ-CH2 4.19Å; F363-W387 HydrophobicContact CZ-CZ2 4.11Å; F363-W387 HydrophobicContact CZ-CZ3 4.04Å
364	R	98.5	Very high	98.2	Very high	71 Å²	71	20.2 Å²	20.2	27%	0.268	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.3	165.2	-173.5	-169.5	-62.7	137.5	-0.5	108.7	Y276 E277 F279 F372 L373 V376 D379	Y276-R364 CarbonylContact C-O 3.56Å; Y276-R364 WeakPolarHBondContact CA-O 3.33Å; E277-R364 PolarHBondContact N-O 3.19Å; E277-R364 PolarHBondContact O-N 3.34Å; F279-R364 HydrophobicContact CE2-CB 3.81Å; R364-F372 HydrophobicContact CG-CD2 3.99Å; R364-L373 CarbonylContact C-O 3.57Å; R364-L373 WeakPolarHBondContact CA-O 3.27Å; R364-V376 HydrophobicContact CB-CG2 4.43Å; R364-D379 IonicContact CZ-OD2 3.97Å; R364-D379 IonicContact NE-OD1 2.71Å; R364-D379 IonicContact NE-OD2 3.12Å; R364-D379 PolarHBondContact NE-OD2 3.12Å; R364-D379 IonicContact NH2-OD1 2.93Å; R364-D379 IonicContact NH2-OD2 3.12Å; R364-D379 PolarHBondContact NH2-OD2 3.01Å
365	A	98.7	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.3	176.2	0	0	0	0	0	110.3	L245 Y275 F363 L367 F372 L373	L245-A365 HydrophobicContact CD1-CB 3.5Å; Y275-A365 CarbonylContact O-C 3.58Å; Y275-A365 WeakPolarHBondContact O-CA 3.27Å; F363-A365 HydrophobicContact CD2-CB 4.11Å; F363-A365 HydrophobicContact CE2-CB 3.91Å; A365-L367 PolarHBondContact O-N 3.5Å; A365-F372 CarbonylContact O-C 3.57Å; A365-F372 WeakPolarHBondContact O-CA 3.44Å; A365-F372 VanDerWaalsContact O-CB 3.24Å; A365-F372 WeakPolarHBondContact O-CB 3.4Å; A365-L373 PolarHBondContact N-O 3.02Å; A365-L373 PolarHBondContact O-N 3.36Å
366	N	98.7	Very high	98.3	Very high	18 Å²	18	18.5 Å²	18.5	10%	0.096	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.6	167.2	-179.1	-90.9	0	0	0	108.3	P273 C274 Y275 G369	P273-N366 WeakPolarHBondContact CB-O 3.39Å; C274-N366 PolarHBondContact N-O 2.96Å; Y275-N366 HydrophobicContact CD1-CB 3.69Å; Y275-N366 HydrophobicContact CD2-CB 3.93Å; Y275-N366 HydrophobicContact CE1-CB 3.26Å; Y275-N366 VanDerWaalsContact CE1-CG 3.4Å; Y275-N366 HydrophobicContact CE2-CB 3.51Å; Y275-N366 HydrophobicContact CG-CB 4.01Å; Y275-N366 PolarHBondContact N-O 3.44Å; Y275-N366 PolarHBondContact O-N 3.04Å; N366-G369 PolarHBondContact ND2-O 3.09Å
367	L	98.8	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-58.7	-179.1	-61.7	-170.9	0	0	0	109.6	M145 Y146 A149 I272 P273 C274 A365 V371 L373	M145-L367 HydrophobicContact CB-CD1 3.89Å; M145-L367 WeakPolarHBondContact O-CD1 3.15Å; Y146-L367 HydrophobicContact CD1-CD1 4.21Å; Y146-L367 HydrophobicContact CD1-CD2 4.44Å; Y146-L367 HydrophobicContact CD2-CD1 4.17Å; Y146-L367 HydrophobicContact CE1-CD1 4.43Å; Y146-L367 HydrophobicContact CE1-CD2 3.87Å; Y146-L367 HydrophobicContact CE2-CD1 4.39Å; Y146-L367 HydrophobicContact CE2-CD2 4.28Å; Y146-L367 HydrophobicContact CG-CD1 4.06Å; A149-L367 HydrophobicContact CB-CB 3.42Å; A149-L367 VanDerWaalsContact CB-CB 3.42Å; A149-L367 HydrophobicContact CB-CD1 4.08Å; A149-L367 HydrophobicContact CB-CG 4.42Å; I272-L367 HydrophobicContact CG2-CB 4.06Å; P273-L367 HydrophobicContact CB-CD2 3.95Å; C274-L367 PolarHBondContact N-O 2.85Å; C274-L367 VanDerWaalsContact N-O 3.11Å; C274-L367 PolarHBondContact SG-O 2.98Å; C274-L367 VanDerWaalsContact SG-O 3.39Å; A365-L367 PolarHBondContact O-N 3.5Å; L367-V371 HydrophobicContact CB-CG1 4.5Å; L367-V371 HydrophobicContact CD1-CG1 4.38Å; L367-V371 PolarHBondContact N-O 3.23Å; L367-L373 HydrophobicContact CD1-CD1 4.05Å; L367-L373 HydrophobicContact CD1-CG 3.99Å; L367-L373 HydrophobicContact CD2-CD1 3.98Å; L367-L373 HydrophobicContact CD2-CG 4.36Å; L367-L373 HydrophobicContact CG-CD1 4.36Å; L367-L373 HydrophobicContact CG-CG 4.27Å
368	Y	98.7	Very high	97.9	Very high	35 Å²	35	28.3 Å²	28.3	14%	0.137	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	135.9	174.1	-175.8	-98.2	0	0	0	110.8	K152 A153 D156 I270 D370 V371	K152-Y368 HydrophobicContact CB-CD1 4Å; K152-Y368 HydrophobicContact CB-CE1 4.29Å; K152-Y368 HydrophobicContact CD-CD1 4.26Å; K152-Y368 HydrophobicContact CD-CE1 4.47Å; K152-Y368 HydrophobicContact CG-CD1 4Å; K152-Y368 HydrophobicContact CG-CE1 3.96Å; A153-Y368 VanDerWaalsContact CA-CE1 3.43Å; A153-Y368 HydrophobicContact CB-CD1 3.82Å; A153-Y368 HydrophobicContact CB-CD2 3.78Å; A153-Y368 HydrophobicContact CB-CE1 3.91Å; A153-Y368 HydrophobicContact CB-CE2 3.86Å; A153-Y368 HydrophobicContact CB-CG 3.76Å; D156-Y368 WeakPolarHBondContact CB-OH 3.23Å; D156-Y368 WeakPolarHBondContact OD2-CE1 3.43Å; D156-Y368 PolarHBondContact OD2-OH 3.19Å; I270-Y368 HydrophobicContact CD1-CE2 4.08Å; I270-Y368 HydrophobicContact CG2-CD2 3.88Å; I270-Y368 HydrophobicContact CG2-CE2 3.87Å; Y368-D370 PolarHBondContact O-N 3.28Å; Y368-V371 PolarHBondContact N-O 2.77Å; Y368-V371 WeakPolarHBondContact O-CB 3.39Å; Y368-V371 PolarHBondContact O-N 3.16Å
369	G	97.8	Very high	97.7	Very high	45 Å²	45	30.4 Å²	30.4	46%	0.464	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-117.6	-179.9	0	0	0	0	0	112.4	N366	N366-G369 PolarHBondContact ND2-O 3.09Å
370	D	97.7	Very high	97.6	Very high	112 Å²	112	34 Å²	34	60%	0.599	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4	177.1	60.5	-28.1	0	0	0	113.8	K152 Y368	K152-D370 IonicContact NZ-OD1 3.82Å; K152-D370 PolarHBondContact NZ-OD1 3.31Å; K152-D370 IonicContact NZ-OD2 3.86Å; Y368-D370 PolarHBondContact O-N 3.28Å
371	V	98.5	Very high	97.5	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.097	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.6	-179.8	-171.1	0	0	0	0	109.9	M145 D148 A149 L367 Y368	M145-V371 HydrophobicContact CB-CG1 4.38Å; M145-V371 HydrophobicContact CE-CG1 3.83Å; M145-V371 WeakPolarHBondContact O-CG1 3.39Å; D148-V371 HydrophobicContact CB-CG1 4.32Å; D148-V371 HydrophobicContact CB-CG2 4.37Å; A149-V371 HydrophobicContact CB-CB 4.04Å; A149-V371 HydrophobicContact CB-CG1 3.93Å; L367-V371 HydrophobicContact CB-CG1 4.5Å; L367-V371 HydrophobicContact CD1-CG1 4.38Å; L367-V371 PolarHBondContact N-O 3.23Å; Y368-V371 PolarHBondContact N-O 2.77Å; Y368-V371 WeakPolarHBondContact O-CB 3.39Å; Y368-V371 PolarHBondContact O-N 3.16Å
372	F	98.2	Very high	97.2	Very high	72 Å²	72	39 Å²	39	32%	0.316	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.1	-179.8	72.1	-87.9	0	0	0	113.2	M145 R364 A365	M145-F372 WeakPolarHBondContact CE-O 3.19Å; R364-F372 HydrophobicContact CG-CD2 3.99Å; A365-F372 CarbonylContact O-C 3.57Å; A365-F372 WeakPolarHBondContact O-CA 3.44Å; A365-F372 VanDerWaalsContact O-CB 3.24Å; A365-F372 WeakPolarHBondContact O-CB 3.4Å
373	L	98	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.9	166.2	-63.2	167.9	0	0	0	108.8	K142 M145 Y146 R364 A365 L367 T381 M384 W387	K142-L373 HydrophobicContact CG-CD1 4.39Å; M145-L373 HydrophobicContact CB-CD2 3.6Å; M145-L373 HydrophobicContact CB-CG 4.27Å; M145-L373 HydrophobicContact CG-CD2 3.63Å; Y146-L373 HydrophobicContact CD2-CD1 4.27Å; Y146-L373 HydrophobicContact CE2-CD1 3.7Å; R364-L373 CarbonylContact C-O 3.57Å; R364-L373 WeakPolarHBondContact CA-O 3.27Å; A365-L373 PolarHBondContact N-O 3.02Å; A365-L373 PolarHBondContact O-N 3.36Å; L367-L373 HydrophobicContact CD1-CD1 4.05Å; L367-L373 HydrophobicContact CD1-CG 3.99Å; L367-L373 HydrophobicContact CD2-CD1 3.98Å; L367-L373 HydrophobicContact CD2-CG 4.36Å; L367-L373 HydrophobicContact CG-CD1 4.36Å; L367-L373 HydrophobicContact CG-CG 4.27Å; L373-T381 WeakPolarHBondContact CA-OG1 3.15Å; L373-T381 HydrophobicContact CD2-CG2 4.5Å; L373-M384 HydrophobicContact CB-SD 4.17Å; L373-M384 HydrophobicContact CD2-SD 3.58Å; L373-M384 VanDerWaalsContact CD2-SD 3.58Å; L373-M384 HydrophobicContact CG-SD 4.4Å; L373-W387 HydrophobicContact CD1-CH2 4.13Å; L373-W387 HydrophobicContact CD1-CZ3 4.41Å
374	S	98.4	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.4	176.1	-170.3	0	0	0	0	112.1	V376 D379 H380 T381 M384	S374-V376 WeakPolarHBondContact OG-CB 3.2Å; S374-V376 PolarHBondContact OG-N 2.95Å; S374-D379 WeakPolarHBondContact CB-O 3.36Å; S374-D379 WeakPolarHBondContact CB-OD1 3.49Å; S374-D379 PolarHBondContact OG-OD1 3.14Å; S374-H380 WeakPolarHBondContact O-CA 3.49Å; S374-T381 PolarHBondContact N-OG1 2.92Å; S374-T381 PolarHBondContact O-N 2.96Å; S374-M384 WeakPolarHBondContact O-CE 3.4Å
375	T	97.7	Very high	95.8	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.049	24%	0.24	C	C	.	.			trans	-102.7	-0.8	164.8	55.3	0	0	0	0	112.1	Y362 F363 M384 W387	Y362-T375 VanDerWaalsContact CD1-O 3.31Å; Y362-T375 WeakPolarHBondContact CD1-O 3.42Å; F363-T375 HydrophobicContact CD1-CG2 3.98Å; F363-T375 WeakPolarHBondContact CD1-OG1 3.5Å; F363-T375 HydrophobicContact CE1-CG2 3.55Å; F363-T375 HydrophobicContact CZ-CG2 4.26Å; F363-T375 PolarHBondContact N-OG1 3.33Å; F363-T375 PolarHBondContact O-N 3.06Å; F363-T375 PolarHBondContact O-OG1 3.36Å; T375-M384 HydrophobicContact CG2-CE 3.73Å; T375-W387 HydrophobicContact CG2-CB 3.8Å; T375-W387 HydrophobicContact CG2-CE3 4.48Å
376	V	97.8	Very high	95.4	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	25%	0.249	C	C	.	.	S	Bend	trans	-68.9	126.6	178.9	-175.1	0	0	0	0	108.6	F279 P324 R364 S374 N378 D379 H380	F279-V376 HydrophobicContact CB-CG2 4.09Å; F279-V376 HydrophobicContact CD1-CG2 4.38Å; F279-V376 HydrophobicContact CD2-CG2 3.44Å; F279-V376 VanDerWaalsContact CD2-CG2 3.44Å; F279-V376 HydrophobicContact CE2-CG2 3.96Å; F279-V376 HydrophobicContact CG-CG2 3.71Å; P324-V376 HydrophobicContact CB-CG1 3.87Å; P324-V376 HydrophobicContact CG-CG1 3.83Å; R364-V376 HydrophobicContact CB-CG2 4.43Å; S374-V376 WeakPolarHBondContact OG-CB 3.2Å; S374-V376 PolarHBondContact OG-N 2.95Å; V376-N378 PolarHBondContact O-N 3.31Å; V376-D379 WeakPolarHBondContact CB-OD1 3.19Å; V376-D379 CarbonylContact O-C 3.41Å; V376-D379 PolarHBondContact O-N 3.35Å; V376-D379 VanDerWaalsContact O-N 3.1Å; V376-H380 WeakPolarHBondContact O-CA 3.4Å; V376-H380 PolarHBondContact O-N 3.42Å
377	P	94.2	Very high	95.2	Very high	70 Å²	70	44.1 Å²	44.1	46%	0.455	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-52	-35.9	-171.2	-32.5	34.8	0	0	0	116	Y362 D379	Y362-P377 HydrophobicContact CD1-CG 4.38Å; Y362-P377 HydrophobicContact CE1-CG 3.79Å; Y362-P377 HydrophobicContact CE2-CG 4.33Å; P377-D379 VanDerWaalsContact C-N 3.33Å; P377-D379 PolarHBondContact O-N 3Å
378	N	92.4	Very high	95	Very high	136 Å²	136	45.6 Å²	45.6	73%	0.727	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-74	-20.8	-175.3	-69.7	-9.2	0	0	0	114.3	V376	V376-N378 PolarHBondContact O-N 3.31Å
379	D	95.2	Very high	94.9	Very high	45 Å²	45	45 Å²	45	24%	0.241	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-140.9	28.2	-179.3	68.2	-4.6	0	0	0	112.2	R364 S374 V376 P377 T381	R364-D379 IonicContact CZ-OD2 3.97Å; R364-D379 IonicContact NE-OD1 2.71Å; R364-D379 IonicContact NE-OD2 3.12Å; R364-D379 PolarHBondContact NE-OD2 3.12Å; R364-D379 IonicContact NH2-OD1 2.93Å; R364-D379 IonicContact NH2-OD2 3.12Å; R364-D379 PolarHBondContact NH2-OD2 3.01Å; S374-D379 WeakPolarHBondContact CB-O 3.36Å; S374-D379 WeakPolarHBondContact CB-OD1 3.49Å; S374-D379 PolarHBondContact OG-OD1 3.14Å; V376-D379 WeakPolarHBondContact CB-OD1 3.19Å; V376-D379 CarbonylContact O-C 3.41Å; V376-D379 PolarHBondContact O-N 3.35Å; V376-D379 VanDerWaalsContact O-N 3.1Å; P377-D379 VanDerWaalsContact C-N 3.33Å; P377-D379 PolarHBondContact O-N 3Å; D379-T381 PolarHBondContact O-N 3.24Å
380	H	95.8	Very high	94.9	Very high	75 Å²	75	43 Å²	43	35%	0.347	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-53.9	131.5	-178.5	-176.6	-73.9	0	0	0	110.4	S374 V376 P382 M384	S374-H380 WeakPolarHBondContact O-CA 3.49Å; V376-H380 WeakPolarHBondContact O-CA 3.4Å; V376-H380 PolarHBondContact O-N 3.42Å; H380-P382 VanDerWaalsContact O-CD 3.24Å; H380-P382 WeakPolarHBondContact O-CD 3.27Å; H380-P382 VanDerWaalsContact O-N 3.16Å; H380-M384 PolarHBondContact CE1-O 3.41Å
381	T	96.7	Very high	95	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-63	117.1	178.1	-58.5	0	0	0	0	109.4	V141 M145 L373 S374 D379 N383 M384	V141-T381 HydrophobicContact CG1-CG2 3.68Å; M145-T381 HydrophobicContact CG-CG2 4.37Å; L373-T381 WeakPolarHBondContact CA-OG1 3.15Å; L373-T381 HydrophobicContact CD2-CG2 4.5Å; S374-T381 PolarHBondContact N-OG1 2.92Å; S374-T381 PolarHBondContact O-N 2.96Å; D379-T381 PolarHBondContact O-N 3.24Å; T381-N383 PolarHBondContact O-N 3.2Å; T381-M384 HydrophobicContact CG2-CB 4.12Å; T381-M384 HydrophobicContact CG2-SD 4.28Å; T381-M384 WeakPolarHBondContact O-CB 3.38Å; T381-M384 PolarHBondContact O-N 3.17Å
382	P	92.1	Very high	94.9	Very high	95 Å²	95	36.9 Å²	36.9	62%	0.617	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	132.9	-172.1	-26.9	35.7	0	0	0	112.8	H380 M384	H380-P382 VanDerWaalsContact O-CD 3.24Å; H380-P382 WeakPolarHBondContact O-CD 3.27Å; H380-P382 VanDerWaalsContact O-N 3.16Å; P382-M384 PolarHBondContact O-N 3.18Å
383	N	88.1	Confident	94.9	Very high	113 Å²	113	33.4 Å²	33.4	60%	0.604	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	10	179	-48.3	-59.8	0	0	0	116.2	V141 T381 N385	V141-N383 HydrophobicContact CG2-CB 4.11Å; T381-N383 PolarHBondContact O-N 3.2Å; N383-N385 PolarHBondContact O-ND2 3.33Å; N383-N385 VanDerWaalsContact O-ND2 3.07Å
384	M	92.2	Very high	94.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	19%	0.187	C	C	.	.			trans	-76.4	129.8	169.7	-171.3	-177.7	75.6	0	0	109.6	D139 V141 L373 S374 T375 H380 T381 P382 W387	D139-M384 WeakPolarHBondContact OD2-CG 3.43Å; V141-M384 HydrophobicContact CB-CB 4.49Å; V141-M384 HydrophobicContact CG1-CB 4.28Å; L373-M384 HydrophobicContact CB-SD 4.17Å; L373-M384 HydrophobicContact CD2-SD 3.58Å; L373-M384 VanDerWaalsContact CD2-SD 3.58Å; L373-M384 HydrophobicContact CG-SD 4.4Å; S374-M384 WeakPolarHBondContact O-CE 3.4Å; T375-M384 HydrophobicContact CG2-CE 3.73Å; H380-M384 PolarHBondContact CE1-O 3.41Å; T381-M384 HydrophobicContact CG2-CB 4.12Å; T381-M384 HydrophobicContact CG2-SD 4.28Å; T381-M384 WeakPolarHBondContact O-CB 3.38Å; T381-M384 PolarHBondContact O-N 3.17Å; P382-M384 PolarHBondContact O-N 3.18Å; M384-W387 HydrophobicContact CE-CE3 3.75Å; M384-W387 HydrophobicContact CE-CZ3 3.96Å; M384-W387 HydrophobicContact CG-CE3 4.33Å; M384-W387 HydrophobicContact CG-CZ3 4.13Å; M384-W387 HydrophobicContact SD-CE3 3.9Å; M384-W387 HydrophobicContact SD-CZ3 3.51Å; M384-W387 VanDerWaalsContact SD-CZ3 3.51Å
385	N	86.5	Confident	94.4	Very high	37 Å²	37	37 Å²	37	20%	0.198	20%	0.203	C	C	.	.			trans	-131.5	6.4	-174.4	-68.4	-69	0	0	0	113.5	Y110 D139 N383 W387	Y110-N385 HydrophobicContact CD2-CB 4.34Å; Y110-N385 HydrophobicContact CE2-CB 3.52Å; Y110-N385 VanDerWaalsContact CE2-CG 3.46Å; D139-N385 PolarHBondContact OD2-N 2.91Å; N383-N385 PolarHBondContact O-ND2 3.33Å; N383-N385 VanDerWaalsContact O-ND2 3.07Å; N385-W387 PolarHBondContact O-N 3.23Å
386	S	90	Very high	94.2	Very high	26 Å²	26	43 Å²	43	18%	0.182	23%	0.23	C	C	.	.	S	Bend	trans	-62.4	-24.4	-179.1	-66.6	0	0	0	0	114.2	D139	D139-S386 WeakPolarHBondContact CB-OG 3.35Å; D139-S386 WeakPolarHBondContact OD2-CB 3.47Å; D139-S386 PolarHBondContact OD2-N 3.1Å; D139-S386 PolarHBondContact OD2-OG 3.09Å
387	W	94.9	Very high	94	Very high	24 Å²	24	44.8 Å²	44.8	9%	0.091	24%	0.243	C	C	.	.			trans	-132.6	126.8	-175.4	-59.8	-84.2	0	0	0	111.3	K142 E243 L245 F363 L373 T375 M384 N385	K142-W387 HydrophobicContact CD-CH2 3.3Å; K142-W387 HydrophobicContact CD-CZ2 3.98Å; K142-W387 HydrophobicContact CD-CZ3 3.92Å; K142-W387 HydrophobicContact CG-CH2 3.93Å; K142-W387 HydrophobicContact CG-CZ3 4.32Å; E243-W387 WeakPolarHBondContact OE1-CZ2 2.88Å; L245-W387 HydrophobicContact CB-CZ2 4.4Å; L245-W387 PolarHBondContact O-NE1 2.98Å; F363-W387 HydrophobicContact CE1-CB 4.11Å; F363-W387 AromaticContact CE1-CD2 3.68Å; F363-W387 HydrophobicContact CE1-CD2 3.68Å; F363-W387 HydrophobicContact CE1-CE3 4.06Å; F363-W387 AromaticContact CE1-CG 3.69Å; F363-W387 HydrophobicContact CE1-CG 3.69Å; F363-W387 AromaticContact CZ-CD2 3.67Å; F363-W387 HydrophobicContact CZ-CD2 3.67Å; F363-W387 AromaticContact CZ-CE2 3.85Å; F363-W387 AromaticContact CZ-CE3 3.76Å; F363-W387 HydrophobicContact CZ-CE3 3.76Å; F363-W387 HydrophobicContact CZ-CG 4.2Å; F363-W387 HydrophobicContact CZ-CH2 4.19Å; F363-W387 HydrophobicContact CZ-CZ2 4.11Å; F363-W387 HydrophobicContact CZ-CZ3 4.04Å; L373-W387 HydrophobicContact CD1-CH2 4.13Å; L373-W387 HydrophobicContact CD1-CZ3 4.41Å; T375-W387 HydrophobicContact CG2-CB 3.8Å; T375-W387 HydrophobicContact CG2-CE3 4.48Å; M384-W387 HydrophobicContact CE-CE3 3.75Å; M384-W387 HydrophobicContact CE-CZ3 3.96Å; M384-W387 HydrophobicContact CG-CE3 4.33Å; M384-W387 HydrophobicContact CG-CZ3 4.13Å; M384-W387 HydrophobicContact SD-CE3 3.9Å; M384-W387 HydrophobicContact SD-CZ3 3.51Å; M384-W387 VanDerWaalsContact SD-CZ3 3.51Å; N385-W387 PolarHBondContact O-N 3.23Å
388	F	94.9	Very high	94.1	Very high	31 Å²	31	42 Å²	42	14%	0.136	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-84.3	171.3	160.3	-58.5	-34.2	0	0	0	110.7	Y110 Y113 S247 V312 V313 K314	Y110-F388 HydrophobicContact CD1-CE1 4.31Å; Y110-F388 AromaticContact CD1-CZ 3.88Å; Y110-F388 HydrophobicContact CD1-CZ 3.88Å; Y110-F388 HydrophobicContact CG-CE1 4.41Å; Y110-F388 HydrophobicContact CG-CZ 4.28Å; Y113-F388 HydrophobicContact CD1-CE2 4.14Å; Y113-F388 HydrophobicContact CD2-CZ 4.39Å; Y113-F388 AromaticContact CG-CE2 3.85Å; Y113-F388 HydrophobicContact CG-CE2 3.85Å; Y113-F388 HydrophobicContact CG-CZ 4.14Å; S247-F388 WeakPolarHBondContact CB-O 3.29Å; S247-F388 PolarHBondContact OG-O 2.73Å; V312-F388 HydrophobicContact CG1-CB 3.88Å; V312-F388 HydrophobicContact CG1-CD2 4.4Å; V313-F388 WeakPolarHBondContact O-CB 3.41Å; K314-F388 HydrophobicContact CB-CB 4.34Å; K314-F388 HydrophobicContact CB-CD1 3.84Å; K314-F388 HydrophobicContact CB-CD2 3.85Å; K314-F388 HydrophobicContact CB-CE1 4.04Å; K314-F388 HydrophobicContact CB-CE2 4.05Å; K314-F388 HydrophobicContact CB-CG 3.75Å; K314-F388 HydrophobicContact CB-CZ 4.14Å; K314-F388 HydrophobicContact CD-CD1 4.41Å; K314-F388 HydrophobicContact CD-CE1 3.93Å; K314-F388 HydrophobicContact CD-CZ 4.11Å; K314-F388 HydrophobicContact CG-CD1 3.96Å; K314-F388 HydrophobicContact CG-CE1 3.99Å; K314-F388 HydrophobicContact CG-CG 4.38Å; K314-F388 HydrophobicContact CG-CZ 4.41Å
389	S	96.4	Very high	94.4	Very high	23 Å²	23	44.1 Å²	44.1	16%	0.161	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	150.5	177.1	-57.1	0	0	0	0	111.2	V313 G361 Y362	V313-S389 PolarHBondContact N-O 3.07Å; V313-S389 PolarHBondContact O-N 3.24Å; G361-S389 WeakPolarHBondContact O-CA 3.38Å; Y362-S389 WeakPolarHBondContact CE1-OG 3.32Å
390	M	98	Very high	94.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.4	162.3	-171.6	63.7	77.5	0	0	108.7	P120 F248 N251 M310 I311 V312 A360 G361 I392	P120-M390 HydrophobicContact CB-CE 4.31Å; P120-M390 HydrophobicContact CG-CE 4Å; P120-M390 HydrophobicContact CG-SD 4.16Å; F248-M390 HydrophobicContact CB-CB 4.17Å; F248-M390 HydrophobicContact CB-CE 4.04Å; F248-M390 HydrophobicContact CB-CG 4.19Å; F248-M390 HydrophobicContact CD2-CB 4.23Å; F248-M390 HydrophobicContact CD2-CG 4.48Å; F248-M390 HydrophobicContact CG-CG 4.48Å; N251-M390 HydrophobicContact CB-CE 4.22Å; N251-M390 WeakPolarHBondContact ND2-CE 3.3Å; M310-M390 HydrophobicContact CB-CG 4.1Å; M310-M390 HydrophobicContact CB-SD 3.65Å; M310-M390 HydrophobicContact CE-CE 4.34Å; M310-M390 HydrophobicContact CE-CG 3.46Å; M310-M390 VanDerWaalsContact CE-CG 3.46Å; M310-M390 HydrophobicContact CE-SD 4.14Å; I311-M390 VanDerWaalsContact C-SD 3.54Å; I311-M390 CarbonylContact O-C 3.54Å; I311-M390 WeakPolarHBondContact O-CA 3.45Å; V312-M390 HydrophobicContact CG2-CE 4.35Å; A360-M390 CarbonylContact C-O 3.54Å; A360-M390 WeakPolarHBondContact CA-O 3.39Å; G361-M390 PolarHBondContact N-O 3.29Å; G361-M390 PolarHBondContact O-N 2.81Å; M390-I392 HydrophobicContact CG-CG1 4.4Å
391	W	98.1	Very high	94.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	170.2	176.4	-106.6	0	0	0	109.5	A283 A285 V288 M292 M310 I311 V313 L315 P393	A283-W391 HydrophobicContact CB-CH2 4.23Å; A283-W391 HydrophobicContact CB-CZ3 3.74Å; A285-W391 HydrophobicContact CB-CE3 4.49Å; A285-W391 HydrophobicContact CB-CH2 3.75Å; A285-W391 HydrophobicContact CB-CZ2 4.09Å; A285-W391 HydrophobicContact CB-CZ3 3.95Å; V288-W391 HydrophobicContact CG1-CG 4.18Å; M292-W391 VanDerWaalsContact SD-CD1 3.57Å; M310-W391 WeakPolarHBondContact CA-O 3.34Å; I311-W391 HydrophobicContact CD1-CB 4.33Å; I311-W391 HydrophobicContact CG1-CB 3.78Å; I311-W391 HydrophobicContact CG1-CG 4.31Å; I311-W391 PolarHBondContact N-O 3.15Å; I311-W391 PolarHBondContact O-N 3.22Å; V313-W391 HydrophobicContact CG1-CB 3.58Å; V313-W391 HydrophobicContact CG1-CG 4.45Å; L315-W391 HydrophobicContact CD1-CE3 4.21Å; L315-W391 HydrophobicContact CD2-CE3 4.09Å; W391-P393 WeakPolarHBondContact O-CD 3.39Å
392	I	98.1	Very high	94.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	93.6	-179.7	-51.7	173.9	0	0	0	106.9	F248 V280 M310 G358 F359 M390 I410 W423	F248-I392 HydrophobicContact CE2-CD1 4.03Å; F248-I392 HydrophobicContact CZ-CD1 3.97Å; V280-I392 HydrophobicContact CG1-CD1 3.74Å; M310-I392 HydrophobicContact CE-CD1 4.01Å; M310-I392 HydrophobicContact CE-CG1 3.88Å; M310-I392 HydrophobicContact CG-CG1 4.08Å; M310-I392 HydrophobicContact CG-CG2 4.39Å; M310-I392 HydrophobicContact SD-CG1 4.28Å; G358-I392 CarbonylContact C-O 3.55Å; G358-I392 WeakPolarHBondContact CA-O 3.47Å; F359-I392 HydrophobicContact CB-CB 4.14Å; F359-I392 HydrophobicContact CB-CD1 4.43Å; F359-I392 PolarHBondContact N-O 2.82Å; F359-I392 PolarHBondContact O-N 2.86Å; M390-I392 HydrophobicContact CG-CG1 4.4Å; I392-I410 HydrophobicContact CD1-CD1 4.18Å; I392-W423 HydrophobicContact CG2-CD2 3.53Å; I392-W423 VanDerWaalsContact CG2-CE2 3.47Å; I392-W423 HydrophobicContact CG2-CE3 4.09Å; I392-W423 HydrophobicContact CG2-CG 3.75Å; I392-W423 HydrophobicContact CG2-CH2 4.46Å; I392-W423 HydrophobicContact CG2-CZ2 3.97Å
393	P	96.8	Very high	95	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	157	-171.2	30.5	-38.3	0	0	0	112.6	M292 L307 T309 W391 W423	M292-P393 HydrophobicContact CE-CB 4.21Å; M292-P393 HydrophobicContact CE-CG 3.73Å; M292-P393 HydrophobicContact SD-CB 3.98Å; M292-P393 HydrophobicContact SD-CG 4.12Å; L307-P393 HydrophobicContact CD2-CB 4.01Å; L307-P393 WeakPolarHBondContact O-CG 3.34Å; T309-P393 WeakPolarHBondContact O-CD 3.15Å; T309-P393 WeakPolarHBondContact O-CG 3.46Å; W391-P393 WeakPolarHBondContact O-CD 3.39Å; P393-W423 HydrophobicContact CG-CZ2 4.12Å; P393-W423 WeakPolarHBondContact O-CZ2 3.21Å; P393-W423 PolarHBondContact O-NE1 3.4Å
394	L	96	Very high	95.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.1	158.3	-64	174.8	0	0	0	109.4	L356 G357 F359 H396 I398 V425	L356-L394 HydrophobicContact CD2-CD1 3.8Å; L356-L394 HydrophobicContact CG-CD1 3.79Å; G357-L394 WeakPolarHBondContact O-CB 3.24Å; G357-L394 PolarHBondContact O-N 3.49Å; F359-L394 HydrophobicContact CE2-CD2 4.35Å; L394-H396 PolarHBondContact O-N 3.32Å; L394-I398 HydrophobicContact CD1-CD1 4.05Å; L394-I398 HydrophobicContact CD1-CG1 4.5Å; L394-V425 HydrophobicContact CD1-CG2 4.15Å; L394-V425 HydrophobicContact CD2-CG2 3.97Å
395	Q	91.4	Very high	95.7	Very high	75 Å²	75	48.5 Å²	48.5	35%	0.35	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-33.3	175.8	-172.2	174.4	13.1	0	0	112.5	L307 H434	L307-Q395 HydrophobicContact CB-CB 4.5Å; L307-Q395 HydrophobicContact CD1-CG 4.31Å; Q395-H434 PolarHBondContact N-NE2 3.48Å
396	H	91.6	Very high	96.3	Very high	133 Å²	133	46.7 Å²	46.7	62%	0.616	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.6	177.2	-59	-54	0	0	0	109.8	L394	L394-H396 PolarHBondContact O-N 3.32Å
397	S	94.3	Very high	96.8	Very high	42 Å²	42	46.2 Å²	46.2	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.4	175.6	-45.4	0	0	0	0	111.6	V355 L356	V355-S397 VanDerWaalsContact CG1-CB 3.49Å; L356-S397 CarbonylContact O-C 3.54Å; L356-S397 WeakPolarHBondContact O-CA 3.48Å; L356-S397 WeakPolarHBondContact O-CB 3.38Å
398	I	97.4	Very high	96.9	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.1	-178.4	-59.3	169.4	0	0	0	108.8	V355 L356 L394 L400 V425 P428 V429 T431	V355-I398 CarbonylContact C-O 3.57Å; V355-I398 WeakPolarHBondContact CA-O 3.48Å; L356-I398 HydrophobicContact CB-CB 4.25Å; L356-I398 HydrophobicContact CD2-CD1 4.31Å; L356-I398 PolarHBondContact N-O 3.41Å; L356-I398 PolarHBondContact O-N 3.01Å; L394-I398 HydrophobicContact CD1-CD1 4.05Å; L394-I398 HydrophobicContact CD1-CG1 4.5Å; I398-L400 HydrophobicContact CG2-CD2 4.11Å; I398-L400 PolarHBondContact O-N 2.86Å; I398-V425 HydrophobicContact CD1-CB 4.24Å; I398-V425 HydrophobicContact CD1-CG1 3.95Å; I398-P428 HydrophobicContact CG2-CG 4.14Å; I398-V429 HydrophobicContact CD1-CB 4.44Å; I398-V429 HydrophobicContact CG2-CB 4.22Å; I398-V429 HydrophobicContact CG2-CG2 4.04Å; I398-T431 HydrophobicContact CD1-CG2 3.74Å
399	K	97.6	Very high	97.1	Very high	182 Å²	182	44.7 Å²	44.7	79%	0.791	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.5	171.3	-66.9	-177.9	-179.9	179.9	0	109.2
400	L	98.3	Very high	97.2	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.4	179.9	-63.1	173.6	0	0	0	110	I321 A350 D353 C354 L356 I398 I406 P428	I321-L400 HydrophobicContact CD1-CD1 4.03Å; A350-L400 HydrophobicContact CB-CB 4.08Å; A350-L400 HydrophobicContact CB-CD1 4.15Å; D353-L400 WeakPolarHBondContact CA-O 3.2Å; C354-L400 PolarHBondContact N-O 3.22Å; C354-L400 VanDerWaalsContact N-O 3.09Å; C354-L400 PolarHBondContact O-N 2.87Å; L356-L400 HydrophobicContact CB-CD1 3.77Å; L356-L400 HydrophobicContact CB-CG 4.26Å; I398-L400 HydrophobicContact CG2-CD2 4.11Å; I398-L400 PolarHBondContact O-N 2.86Å; L400-I406 HydrophobicContact CD1-CD1 3.48Å; L400-I406 VanDerWaalsContact CD1-CD1 3.48Å; L400-I406 HydrophobicContact CD1-CG1 3.81Å; L400-I406 HydrophobicContact CD2-CG1 4.04Å; L400-P428 HydrophobicContact CD2-CG 3.58Å
401	K	98.2	Very high	97.3	Very high	122 Å²	122	46.3 Å²	46.3	53%	0.53	23%	0.226	S	C	.	.			trans	-94.7	147.6	164.7	-64.6	-58.2	-170.7	174.6	0	109.9	D353 G403 Q404	D353-K401 WeakPolarHBondContact OD1-CA 3.49Å; D353-K401 VanDerWaalsContact OD2-CD 3.23Å; D353-K401 WeakPolarHBondContact OD2-CD 3.21Å; D353-K401 IonicContact OD2-NZ 3.71Å; D353-K401 PolarHBondContact OD2-NZ 3.21Å; K401-G403 PolarHBondContact O-N 3.37Å; K401-Q404 HydrophobicContact CB-CG 3.95Å; K401-Q404 VanDerWaalsContact O-CB 3.24Å; K401-Q404 WeakPolarHBondContact O-CB 3.42Å; K401-Q404 WeakPolarHBondContact O-CG 3.46Å; K401-Q404 PolarHBondContact O-N 3.31Å
402	K	97.4	Very high	97.3	Very high	145 Å²	145	46.3 Å²	46.3	63%	0.63	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	133.4	171.6	175.8	167.6	-176.7	171.4	0	111	P351 D353 Q404	P351-K402 WeakPolarHBondContact O-CD 3.3Å; P351-K402 WeakPolarHBondContact O-CE 3.28Å; P351-K402 VanDerWaalsContact O-CG 3.25Å; P351-K402 WeakPolarHBondContact O-CG 3.37Å; D353-K402 PolarHBondContact OD1-N 3.41Å; K402-Q404 VanDerWaalsContact C-N 3.26Å; K402-Q404 PolarHBondContact O-N 2.96Å
403	G	97.9	Very high	97.3	Very high	37 Å²	37	49.1 Å²	49.1	38%	0.381	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	-4.1	-179	0	0	0	0	0	114.8	A350 K401	A350-G403 PolarHBondContact O-N 3.46Å; K401-G403 PolarHBondContact O-N 3.37Å
404	Q	98.3	Very high	97.2	Very high	65 Å²	65	50.4 Å²	50.4	30%	0.304	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-69.9	138.3	175.5	-74.2	-173.5	-36.7	0	0	111.3	A350 K401 K402	A350-Q404 PolarHBondContact N-O 3.33Å; K401-Q404 HydrophobicContact CB-CG 3.95Å; K401-Q404 VanDerWaalsContact O-CB 3.24Å; K401-Q404 WeakPolarHBondContact O-CB 3.42Å; K401-Q404 WeakPolarHBondContact O-CG 3.46Å; K401-Q404 PolarHBondContact O-N 3.31Å; K402-Q404 VanDerWaalsContact C-N 3.26Å; K402-Q404 PolarHBondContact O-N 2.96Å
405	T	98.7	Very high	96.9	Very high	59 Å²	59	52.4 Å²	52.4	36%	0.362	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.9	173.4	-51.7	0	0	0	0	110.9	H347 F348 K427 P428	H347-T405 HydrophobicContact CB-CG2 4.25Å; F348-T405 CarbonylContact O-C 3.55Å; F348-T405 VanDerWaalsContact O-CA 3.27Å; F348-T405 WeakPolarHBondContact O-CA 3.42Å; T405-K427 CarbonylContact O-C 3.45Å; T405-K427 WeakPolarHBondContact O-CB 3.47Å; T405-P428 WeakPolarHBondContact O-CD 3.38Å
406	I	98.8	Very high	96.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.7	167.9	-52.4	162.9	0	0	0	107	P282 I321 H347 F348 L356 F359 L400 V425 K427	P282-I406 HydrophobicContact CB-CD1 3.71Å; P282-I406 HydrophobicContact CG-CD1 3.95Å; I321-I406 HydrophobicContact CG2-CD1 4.13Å; H347-I406 CarbonylContact C-O 3.57Å; H347-I406 VanDerWaalsContact CA-O 3.32Å; H347-I406 WeakPolarHBondContact CA-O 3.48Å; F348-I406 HydrophobicContact CB-CB 4.24Å; F348-I406 HydrophobicContact CB-CD1 4.42Å; F348-I406 PolarHBondContact N-O 3.38Å; F348-I406 PolarHBondContact O-N 3.2Å; L356-I406 HydrophobicContact CD2-CG2 3.67Å; F359-I406 HydrophobicContact CE1-CG2 4.36Å; F359-I406 HydrophobicContact CZ-CG2 4.25Å; L400-I406 HydrophobicContact CD1-CD1 3.48Å; L400-I406 VanDerWaalsContact CD1-CD1 3.48Å; L400-I406 HydrophobicContact CD1-CG1 3.81Å; L400-I406 HydrophobicContact CD2-CG1 4.04Å; I406-V425 HydrophobicContact CG2-CG1 4.43Å; I406-K427 WeakPolarHBondContact CA-O 3.2Å
407	E	98.9	Very high	96.4	Very high	15 Å²	15	55.9 Å²	55.9	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104.7	177.9	-173	179.2	114.3	0	0	109	R345 I346 H347 H409 V425 T426 K427	R345-E407 HydrophobicContact CG-CG 3.98Å; I346-E407 WeakPolarHBondContact O-CA 3.44Å; H347-E407 IonicContact CD2-OE2 2.59Å; H347-E407 IonicContact NE2-OE2 2.82Å; H347-E407 PolarHBondContact NE2-OE2 2.96Å; E407-H409 IonicContact OE1-NE2 3.43Å; E407-H409 PolarHBondContact OE1-NE2 2.87Å; E407-H409 VanDerWaalsContact OE1-NE2 3.12Å; E407-V425 CarbonylContact O-C 3.49Å; E407-V425 VanDerWaalsContact O-CA 3.26Å; E407-V425 WeakPolarHBondContact O-CA 3.47Å; E407-T426 WeakPolarHBondContact CB-OG1 3.32Å; E407-T426 WeakPolarHBondContact CG-OG1 3.44Å; E407-T426 PolarHBondContact O-N 2.84Å; E407-T426 PolarHBondContact O-OG1 3.45Å; E407-T426 PolarHBondContact OE1-OG1 3.22Å; E407-K427 HydrophobicContact CB-CB 3.77Å; E407-K427 HydrophobicContact CB-CD 4.15Å; E407-K427 HydrophobicContact CB-CG 4.02Å; E407-K427 PolarHBondContact N-O 3.3Å; E407-K427 WeakPolarHBondContact OE2-CD 3.47Å; E407-K427 VanDerWaalsContact OE2-CE 3.3Å; E407-K427 WeakPolarHBondContact OE2-CE 3.41Å; E407-K427 IonicContact OE2-NZ 3.31Å; E407-K427 PolarHBondContact OE2-NZ 3.3Å
408	L	98.9	Very high	96.3	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.2	175.9	170.2	65.5	0	0	0	109.6	V280 R345 I346 F359 W423	V280-L408 HydrophobicContact CG2-CD2 3.73Å; R345-L408 CarbonylContact C-O 3.59Å; R345-L408 WeakPolarHBondContact CA-O 3.31Å; I346-L408 HydrophobicContact CD1-CD2 4.39Å; I346-L408 PolarHBondContact N-O 3.11Å; I346-L408 PolarHBondContact O-N 2.85Å; F359-L408 HydrophobicContact CD1-CD2 3.8Å; F359-L408 HydrophobicContact CD2-CD1 4.21Å; F359-L408 HydrophobicContact CD2-CD2 4.41Å; F359-L408 HydrophobicContact CE1-CB 3.9Å; F359-L408 HydrophobicContact CE1-CD1 4.33Å; F359-L408 HydrophobicContact CE1-CD2 3.77Å; F359-L408 HydrophobicContact CE1-CG 4.21Å; F359-L408 HydrophobicContact CE2-CD1 3.72Å; F359-L408 HydrophobicContact CE2-CD2 4.4Å; F359-L408 HydrophobicContact CE2-CG 4.47Å; F359-L408 HydrophobicContact CG-CD2 4.15Å; F359-L408 HydrophobicContact CZ-CB 3.85Å; F359-L408 HydrophobicContact CZ-CD1 3.8Å; F359-L408 HydrophobicContact CZ-CD2 4.1Å; F359-L408 HydrophobicContact CZ-CG 4.11Å; L408-W423 HydrophobicContact CD1-CB 4.22Å
409	H	98.9	Very high	96.3	Very high	23 Å²	23	56.2 Å²	56.2	11%	0.106	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132	163.8	-67.3	-124.1	0	0	0	108.7	Y343 K344 E407 W411 W423 C424 T426	Y343-H409 HydrophobicContact CE2-CB 4.2Å; Y343-H409 AromaticContact CE2-ND1 3.7Å; Y343-H409 AromaticContact CZ-ND1 3.78Å; Y343-H409 PolarHBondContact OH-CE1 3.44Å; Y343-H409 VanDerWaalsContact OH-CE1 3.28Å; Y343-H409 PolarHBondContact OH-ND1 3.5Å; K344-H409 WeakPolarHBondContact O-CA 3.32Å; E407-H409 IonicContact OE1-NE2 3.43Å; E407-H409 PolarHBondContact OE1-NE2 2.87Å; E407-H409 VanDerWaalsContact OE1-NE2 3.12Å; H409-W411 HydrophobicContact CB-CE3 4.38Å; H409-W411 HydrophobicContact CB-CH2 3.33Å; H409-W411 HydrophobicContact CB-CZ2 4.12Å; H409-W411 HydrophobicContact CB-CZ3 3.48Å; H409-W411 VanDerWaalsContact CB-CZ3 3.48Å; H409-W423 CarbonylContact O-C 3.45Å; H409-W423 WeakPolarHBondContact O-CA 3.37Å; H409-W423 WeakPolarHBondContact O-CB 3.37Å; H409-C424 PolarHBondContact N-O 2.98Å; H409-C424 PolarHBondContact O-N 3.38Å; H409-T426 PolarHBondContact CD2-OG1 3.35Å; H409-T426 PolarHBondContact NE2-OG1 2.99Å
410	I	98.8	Very high	96.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.6	177.2	-172.6	167.6	0	0	0	109.9	F248 V327 F328 Y343 K344 I392 E422 W423	F248-I410 HydrophobicContact CE1-CD1 4.14Å; F248-I410 HydrophobicContact CZ-CD1 4.14Å; V327-I410 HydrophobicContact CG1-CD1 4.42Å; V327-I410 HydrophobicContact CG1-CG2 3.49Å; V327-I410 VanDerWaalsContact CG1-CG2 3.49Å; F328-I410 HydrophobicContact CE1-CG2 4.38Å; F328-I410 HydrophobicContact CE2-CD1 4.48Å; F328-I410 HydrophobicContact CE2-CG1 4.21Å; F328-I410 HydrophobicContact CZ-CB 4.42Å; F328-I410 HydrophobicContact CZ-CG1 4.1Å; F328-I410 HydrophobicContact CZ-CG2 3.88Å; Y343-I410 WeakPolarHBondContact CA-O 3.09Å; K344-I410 HydrophobicContact CB-CG2 4.36Å; K344-I410 PolarHBondContact N-O 2.98Å; K344-I410 PolarHBondContact O-N 2.77Å; I392-I410 HydrophobicContact CD1-CD1 4.18Å; I410-E422 CarbonylContact C-O 3.35Å; I410-E422 WeakPolarHBondContact CA-O 3.46Å; I410-W423 HydrophobicContact CB-CB 4.41Å; I410-W423 HydrophobicContact CG1-CB 4.33Å
411	W	98.8	Very high	96.3	Very high	58 Å²	58	49 Å²	49	22%	0.22	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.1	177.7	-63.5	-101	0	0	0	109.7	R342 Y343 H409 F413 Y421 E422	R342-W411 CarbonylContact O-C 3.54Å; R342-W411 VanDerWaalsContact O-CA 3.31Å; R342-W411 WeakPolarHBondContact O-CA 3.11Å; Y343-W411 AromaticContact CD2-CD1 3.61Å; Y343-W411 AromaticContact CD2-CD2 3.89Å; Y343-W411 HydrophobicContact CD2-CD2 3.89Å; Y343-W411 AromaticContact CD2-CE2 3.36Å; Y343-W411 HydrophobicContact CD2-CG 4.03Å; Y343-W411 AromaticContact CD2-CZ2 3.86Å; Y343-W411 HydrophobicContact CD2-CZ2 3.86Å; Y343-W411 AromaticContact CD2-NE1 3.15Å; Y343-W411 HydrophobicContact CE2-CD2 4.4Å; Y343-W411 AromaticContact CE2-CE2 3.65Å; Y343-W411 HydrophobicContact CE2-CH2 4.35Å; Y343-W411 AromaticContact CE2-CZ2 3.62Å; Y343-W411 HydrophobicContact CE2-CZ2 3.62Å; Y343-W411 AromaticContact CE2-NE1 3.83Å; Y343-W411 AromaticContact CG-CD1 3.96Å; Y343-W411 AromaticContact CG-NE1 3.66Å; H409-W411 HydrophobicContact CB-CE3 4.38Å; H409-W411 HydrophobicContact CB-CH2 3.33Å; H409-W411 HydrophobicContact CB-CZ2 4.12Å; H409-W411 HydrophobicContact CB-CZ3 3.48Å; H409-W411 VanDerWaalsContact CB-CZ3 3.48Å; W411-F413 HydrophobicContact CB-CD2 3.98Å; W411-F413 HydrophobicContact CB-CE2 3.43Å; W411-F413 VanDerWaalsContact CB-CE2 3.43Å; W411-F413 HydrophobicContact CB-CZ 3.95Å; W411-F413 AromaticContact CD1-CZ 3.96Å; W411-F413 AromaticContact CG-CE2 3.95Å; W411-F413 HydrophobicContact CG-CE2 3.95Å; W411-F413 HydrophobicContact CG-CZ 4.07Å; W411-Y421 VanDerWaalsContact O-CA 3.25Å; W411-Y421 WeakPolarHBondContact O-CA 3.49Å; W411-E422 HydrophobicContact CB-CB 4.34Å; W411-E422 HydrophobicContact CE3-CB 4.19Å; W411-E422 PolarHBondContact N-O 2.9Å; W411-E422 PolarHBondContact O-N 3.11Å; W411-E422 VanDerWaalsContact O-N 3.08Å
412	R	98.6	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.6	162.9	-176.8	-170.5	-169.4	-82.6	-0.4	107	D250 E256 F328 N340 N341 R342 V419 Y421	D250-R412 VanDerWaalsContact OD2-CD 3.22Å; D250-R412 WeakPolarHBondContact OD2-CD 3.43Å; D250-R412 IonicContact OD2-CZ 3.81Å; D250-R412 IonicContact OD2-NE 2.87Å; D250-R412 PolarHBondContact OD2-NE 2.92Å; D250-R412 IonicContact OD2-NH2 3.77Å; E256-R412 VanDerWaalsContact CD-NH2 3.3Å; E256-R412 IonicContact OE1-CZ 2.88Å; E256-R412 IonicContact OE1-NH1 3.64Å; E256-R412 PolarHBondContact OE1-NH1 3.17Å; E256-R412 IonicContact OE1-NH2 2.83Å; E256-R412 PolarHBondContact OE1-NH2 3.12Å; E256-R412 VanDerWaalsContact OE1-NH2 3.07Å; E256-R412 IonicContact OE2-CZ 3.12Å; E256-R412 IonicContact OE2-NH1 3.68Å; E256-R412 IonicContact OE2-NH2 2.76Å; E256-R412 PolarHBondContact OE2-NH2 3.43Å; F328-R412 HydrophobicContact CD2-CB 4.08Å; F328-R412 HydrophobicContact CE2-CB 3.69Å; F328-R412 HydrophobicContact CZ-CB 4.16Å; N340-R412 PolarHBondContact O-NH1 3.41Å; N341-R412 CarbonylContact C-O 3.46Å; N341-R412 VanDerWaalsContact CA-O 3.31Å; N341-R412 WeakPolarHBondContact CA-O 3.34Å; R342-R412 HydrophobicContact CB-CB 4.06Å; R342-R412 HydrophobicContact CG-CB 4.48Å; R342-R412 PolarHBondContact N-O 2.82Å; R342-R412 PolarHBondContact O-N 3.13Å; R412-V419 HydrophobicContact CG-CG1 4.21Å; R412-Y421 HydrophobicContact CB-CD1 3.93Å; R412-Y421 HydrophobicContact CB-CE1 3.88Å; R412-Y421 HydrophobicContact CG-CD1 4.07Å; R412-Y421 HydrophobicContact CG-CE1 3.66Å
413	F	98.2	Very high	96.4	Very high	60 Å²	60	37.3 Å²	37.3	26%	0.263	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.1	174.5	-68.8	-78.8	0	0	0	109.7	N341 W411 V419 W420 E422	N341-F413 VanDerWaalsContact OD1-CA 3.25Å; N341-F413 WeakPolarHBondContact OD1-CA 3.32Å; W411-F413 HydrophobicContact CB-CD2 3.98Å; W411-F413 HydrophobicContact CB-CE2 3.43Å; W411-F413 VanDerWaalsContact CB-CE2 3.43Å; W411-F413 HydrophobicContact CB-CZ 3.95Å; W411-F413 AromaticContact CD1-CZ 3.96Å; W411-F413 AromaticContact CG-CE2 3.95Å; W411-F413 HydrophobicContact CG-CE2 3.95Å; W411-F413 HydrophobicContact CG-CZ 4.07Å; F413-V419 CarbonylContact O-C 3.52Å; F413-V419 VanDerWaalsContact O-CA 3.23Å; F413-V419 WeakPolarHBondContact O-CA 3.27Å; F413-V419 WeakPolarHBondContact O-CG1 3.22Å; F413-W420 HydrophobicContact CB-CD2 3.65Å; F413-W420 HydrophobicContact CB-CE3 3.88Å; F413-W420 HydrophobicContact CB-CG 4.36Å; F413-W420 HydrophobicContact CB-CH2 3.6Å; F413-W420 HydrophobicContact CB-CZ2 3.35Å; F413-W420 HydrophobicContact CB-CZ3 3.85Å; F413-W420 HydrophobicContact CD1-CZ2 4.29Å; F413-W420 AromaticContact CD2-CE2 3.75Å; F413-W420 HydrophobicContact CD2-CZ2 4.01Å; F413-W420 AromaticContact CD2-NE1 3.43Å; F413-W420 HydrophobicContact CG-CD2 4.48Å; F413-W420 AromaticContact CG-CE2 3.75Å; F413-W420 HydrophobicContact CG-CH2 4.27Å; F413-W420 AromaticContact CG-CZ2 3.64Å; F413-W420 HydrophobicContact CG-CZ2 3.64Å; F413-W420 AromaticContact CG-NE1 3.93Å; F413-W420 PolarHBondContact N-O 3.29Å; F413-W420 PolarHBondContact O-N 3.48Å; F413-E422 HydrophobicContact CD2-CG 3.98Å; F413-E422 HydrophobicContact CE2-CB 4.15Å; F413-E422 VanDerWaalsContact CE2-CD 3.42Å; F413-E422 HydrophobicContact CE2-CG 3.8Å
414	S	94.6	Very high	96.4	Very high	27 Å²	27	36.1 Å²	36.1	19%	0.189	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.9	175.9	-175	0	0	0	0	107.7	E256 N341	E256-S414 PolarHBondContact OE1-OG 2.88Å; N341-S414 PolarHBondContact ND2-O 3.38Å; N341-S414 VanDerWaalsContact ND2-O 3.12Å; N341-S414 PolarHBondContact OD1-N 2.79Å; N341-S414 PolarHBondContact OD1-O 3.2Å
415	A	90.2	Very high	96.4	Very high	43 Å²	43	33 Å²	33	36%	0.355	16%	0.164	S	C	.	.			trans	-116.4	-177	176.6	0	0	0	0	0	109.7	E417 K418 W420 L445	A415-E417 PolarHBondContact O-N 3.3Å; A415-K418 PolarHBondContact N-O 2.51Å; A415-W420 HydrophobicContact CB-CH2 4.37Å; A415-W420 HydrophobicContact CB-CZ3 3.91Å; A415-L445 VanDerWaalsContact O-CD1 3.3Å; A415-L445 WeakPolarHBondContact O-CD1 3.25Å
416	H	84.5	Confident	96.4	Very high	176 Å²	176	32 Å²	32	82%	0.815	16%	0.157	S	C	*	.	S	Bend	trans	-62.2	-37.8	-174.3	-82.4	44.5	0	0	0	114	L445 F446	H416-L445 WeakPolarHBondContact O-CD1 3.48Å; H416-F446 WeakPolarHBondContact O-CE2 3.43Å
417	E	87.3	Confident	96.4	Very high	104 Å²	104	36.4 Å²	36.4	49%	0.486	18%	0.177	S	C	.	.	S	Bend	trans	-112.9	-14.8	-171.6	-63.6	-176.9	151.3	0	0	113.8	A415 L445	A415-E417 PolarHBondContact O-N 3.3Å; E417-L445 PolarHBondContact O-N 3.02Å
418	K	92.4	Very high	96.4	Very high	60 Å²	60	38.1 Å²	38.1	26%	0.261	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	151.8	-171.4	63.7	-176.3	-165.8	167.5	0	112.8	A415 W420 N437 V442 I443	A415-K418 PolarHBondContact N-O 2.51Å; K418-W420 HydrophobicContact CD-CE3 4.41Å; K418-W420 HydrophobicContact CD-CZ3 4.48Å; K418-W420 HydrophobicContact CG-CE3 3.99Å; K418-W420 HydrophobicContact CG-CZ3 3.96Å; K418-N437 PolarHBondContact NZ-O 2.84Å; K418-N437 VanDerWaalsContact NZ-O 3.12Å; K418-V442 HydrophobicContact CB-CB 4.24Å; K418-V442 HydrophobicContact CD-CB 4.24Å; K418-V442 HydrophobicContact CD-CG1 3.79Å; K418-I443 WeakPolarHBondContact CA-O 3.24Å
419	V	97.3	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.2	169.6	176	0	0	0	0	108.1	L253 E256 R412 F413 I443 L445	L253-V419 HydrophobicContact CD2-CB 3.59Å; L253-V419 HydrophobicContact CD2-CG1 3.86Å; L253-V419 HydrophobicContact CD2-CG2 3.67Å; E256-V419 HydrophobicContact CG-CG2 4.42Å; R412-V419 HydrophobicContact CG-CG1 4.21Å; F413-V419 CarbonylContact O-C 3.52Å; F413-V419 VanDerWaalsContact O-CA 3.23Å; F413-V419 WeakPolarHBondContact O-CA 3.27Å; F413-V419 WeakPolarHBondContact O-CG1 3.22Å; V419-I443 PolarHBondContact N-O 2.9Å; V419-I443 PolarHBondContact O-N 2.56Å; V419-L445 HydrophobicContact CG2-CD1 4.33Å; V419-L445 HydrophobicContact CG2-CD2 4.47Å; V419-L445 HydrophobicContact CG2-CG 4.35Å
420	W	97.2	Very high	96.2	Very high	24 Å²	24	46.1 Å²	46.1	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	164.8	173.9	70.3	99.2	0	0	0	111.4	F413 A415 K418 E422 G438 S441 V442	F413-W420 HydrophobicContact CB-CD2 3.65Å; F413-W420 HydrophobicContact CB-CE3 3.88Å; F413-W420 HydrophobicContact CB-CG 4.36Å; F413-W420 HydrophobicContact CB-CH2 3.6Å; F413-W420 HydrophobicContact CB-CZ2 3.35Å; F413-W420 HydrophobicContact CB-CZ3 3.85Å; F413-W420 HydrophobicContact CD1-CZ2 4.29Å; F413-W420 AromaticContact CD2-CE2 3.75Å; F413-W420 HydrophobicContact CD2-CZ2 4.01Å; F413-W420 AromaticContact CD2-NE1 3.43Å; F413-W420 HydrophobicContact CG-CD2 4.48Å; F413-W420 AromaticContact CG-CE2 3.75Å; F413-W420 HydrophobicContact CG-CH2 4.27Å; F413-W420 AromaticContact CG-CZ2 3.64Å; F413-W420 HydrophobicContact CG-CZ2 3.64Å; F413-W420 AromaticContact CG-NE1 3.93Å; F413-W420 PolarHBondContact N-O 3.29Å; F413-W420 PolarHBondContact O-N 3.48Å; A415-W420 HydrophobicContact CB-CH2 4.37Å; A415-W420 HydrophobicContact CB-CZ3 3.91Å; K418-W420 HydrophobicContact CD-CE3 4.41Å; K418-W420 HydrophobicContact CD-CZ3 4.48Å; K418-W420 HydrophobicContact CG-CE3 3.99Å; K418-W420 HydrophobicContact CG-CZ3 3.96Å; W420-E422 PolarHBondContact NE1-OE1 3.15Å; W420-G438 VanDerWaalsContact NE1-N 3.18Å; W420-S441 WeakPolarHBondContact CB-O 3.45Å; W420-V442 HydrophobicContact CB-CG1 4.28Å
421	Y	98.5	Very high	96.2	Very high	11 Å²	11	47.6 Å²	47.6	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.8	173	-55.7	-84	0	0	0	110.7	F248 D250 N251 M310 F328 W411 R412 N435 I443	F248-Y421 HydrophobicContact CD1-CE1 4.36Å; D250-Y421 VanDerWaalsContact CG-OH 3.32Å; D250-Y421 PolarHBondContact OD2-OH 2.73Å; N251-Y421 VanDerWaalsContact CA-OH 3.24Å; N251-Y421 WeakPolarHBondContact CA-OH 3.48Å; N251-Y421 HydrophobicContact CB-CE2 3.99Å; N251-Y421 WeakPolarHBondContact CB-OH 3.29Å; N251-Y421 PolarHBondContact N-OH 3.31Å; M310-Y421 HydrophobicContact CE-CD2 4.27Å; M310-Y421 HydrophobicContact CE-CE2 4.47Å; M310-Y421 HydrophobicContact SD-CD2 3.51Å; M310-Y421 VanDerWaalsContact SD-CD2 3.51Å; M310-Y421 HydrophobicContact SD-CE2 4.26Å; M310-Y421 HydrophobicContact SD-CG 3.68Å; F328-Y421 HydrophobicContact CD2-CE1 4.37Å; F328-Y421 HydrophobicContact CE2-CD1 4.19Å; F328-Y421 HydrophobicContact CE2-CE1 4.2Å; W411-Y421 VanDerWaalsContact O-CA 3.25Å; W411-Y421 WeakPolarHBondContact O-CA 3.49Å; R412-Y421 HydrophobicContact CB-CD1 3.93Å; R412-Y421 HydrophobicContact CB-CE1 3.88Å; R412-Y421 HydrophobicContact CG-CD1 4.07Å; R412-Y421 HydrophobicContact CG-CE1 3.66Å; Y421-N435 WeakPolarHBondContact O-CB 3.42Å; Y421-N435 PolarHBondContact O-ND2 3.15Å; Y421-I443 HydrophobicContact CE2-CD1 3.85Å
422	E	98.5	Very high	96.1	Very high	20 Å²	20	53.6 Å²	53.6	9%	0.093	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.7	167.8	-61.2	-174.1	-167.6	0	0	108.9	I410 W411 F413 W420 V433 H434 N435 P436 N437	I410-E422 CarbonylContact C-O 3.35Å; I410-E422 WeakPolarHBondContact CA-O 3.46Å; W411-E422 HydrophobicContact CB-CB 4.34Å; W411-E422 HydrophobicContact CE3-CB 4.19Å; W411-E422 PolarHBondContact N-O 2.9Å; W411-E422 PolarHBondContact O-N 3.11Å; W411-E422 VanDerWaalsContact O-N 3.08Å; F413-E422 HydrophobicContact CD2-CG 3.98Å; F413-E422 HydrophobicContact CE2-CB 4.15Å; F413-E422 VanDerWaalsContact CE2-CD 3.42Å; F413-E422 HydrophobicContact CE2-CG 3.8Å; W420-E422 PolarHBondContact NE1-OE1 3.15Å; E422-V433 HydrophobicContact CB-CG1 3.97Å; E422-V433 HydrophobicContact CG-CG1 4.47Å; E422-V433 WeakPolarHBondContact OE2-CG1 3.38Å; E422-H434 WeakPolarHBondContact CA-O 3.44Å; E422-N435 WeakPolarHBondContact CG-O 3.4Å; E422-P436 WeakPolarHBondContact OE1-CA 3.35Å; E422-N437 PolarHBondContact OE1-N 2.72Å
423	W	98.8	Very high	96	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.2	175.7	65.2	96.4	0	0	0	113	E308 M310 I392 P393 L408 H409 I410 H434 N435	E308-W423 VanDerWaalsContact C-CH2 3.45Å; E308-W423 VanDerWaalsContact O-CH2 3.3Å; E308-W423 WeakPolarHBondContact O-CH2 3.5Å; M310-W423 HydrophobicContact CG-CH2 3.98Å; M310-W423 HydrophobicContact CG-CZ3 3.83Å; M310-W423 HydrophobicContact SD-CZ3 4.33Å; I392-W423 HydrophobicContact CG2-CD2 3.53Å; I392-W423 VanDerWaalsContact CG2-CE2 3.47Å; I392-W423 HydrophobicContact CG2-CE3 4.09Å; I392-W423 HydrophobicContact CG2-CG 3.75Å; I392-W423 HydrophobicContact CG2-CH2 4.46Å; I392-W423 HydrophobicContact CG2-CZ2 3.97Å; P393-W423 HydrophobicContact CG-CZ2 4.12Å; P393-W423 WeakPolarHBondContact O-CZ2 3.21Å; P393-W423 PolarHBondContact O-NE1 3.4Å; L408-W423 HydrophobicContact CD1-CB 4.22Å; H409-W423 CarbonylContact O-C 3.45Å; H409-W423 WeakPolarHBondContact O-CA 3.37Å; H409-W423 WeakPolarHBondContact O-CB 3.37Å; I410-W423 HydrophobicContact CB-CB 4.41Å; I410-W423 HydrophobicContact CG1-CB 4.33Å; W423-H434 AromaticContact CD1-ND1 3.95Å; W423-H434 HydrophobicContact CD2-CB 3.78Å; W423-H434 VanDerWaalsContact CE2-CB 3.44Å; W423-H434 AromaticContact CE2-CG 3.78Å; W423-H434 HydrophobicContact CE3-CB 4.29Å; W423-H434 HydrophobicContact CG-CB 4.22Å; W423-H434 HydrophobicContact CH2-CB 4.25Å; W423-H434 HydrophobicContact CZ2-CB 3.71Å; W423-H434 HydrophobicContact CZ3-CB 4.5Å; W423-H434 AromaticContact NE1-CD2 3.89Å; W423-H434 AromaticContact NE1-CG 3.5Å; W423-H434 AromaticContact NE1-ND1 3.8Å; W423-H434 PolarHBondContact O-N 2.82Å; W423-H434 PolarHBondContact O-ND1 2.87Å; W423-N435 HydrophobicContact CZ3-CB 4.32Å
424	C	98.6	Very high	96	Very high	11 Å²	11	53.6 Å²	53.6	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	165.4	169.4	69.1	0	0	0	0	111.5	H409 R432 V433	H409-C424 PolarHBondContact N-O 2.98Å; H409-C424 PolarHBondContact O-N 3.38Å; C424-R432 WeakPolarHBondContact CB-O 3.26Å; C424-V433 HydrophobicContact CB-CG2 4.34Å
425	V	98.7	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.1	172.9	174.3	0	0	0	0	107.8	L356 F359 L394 I398 I406 E407 K427 V430 T431	L356-V425 HydrophobicContact CD2-CG2 4.4Å; F359-V425 HydrophobicContact CE2-CG2 3.89Å; F359-V425 HydrophobicContact CZ-CG2 3.77Å; L394-V425 HydrophobicContact CD1-CG2 4.15Å; L394-V425 HydrophobicContact CD2-CG2 3.97Å; I398-V425 HydrophobicContact CD1-CB 4.24Å; I398-V425 HydrophobicContact CD1-CG1 3.95Å; I406-V425 HydrophobicContact CG2-CG1 4.43Å; E407-V425 CarbonylContact O-C 3.49Å; E407-V425 VanDerWaalsContact O-CA 3.26Å; E407-V425 WeakPolarHBondContact O-CA 3.47Å; V425-K427 WeakPolarHBondContact CG1-O 3.45Å; V425-V430 CarbonylContact O-C 3.48Å; V425-V430 VanDerWaalsContact O-CA 3.31Å; V425-V430 WeakPolarHBondContact O-CA 3.26Å; V425-T431 HydrophobicContact CB-CG2 4.13Å; V425-T431 PolarHBondContact N-OG1 3.08Å; V425-T431 PolarHBondContact O-N 2.75Å; V425-T431 PolarHBondContact O-OG1 3.41Å
426	T	98.6	Very high	96.4	Very high	37 Å²	37	52 Å²	52	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-16.9	-179.3	50.6	0	0	0	0	112.8	E407 H409 V430	E407-T426 WeakPolarHBondContact CB-OG1 3.32Å; E407-T426 WeakPolarHBondContact CG-OG1 3.44Å; E407-T426 PolarHBondContact O-N 2.84Å; E407-T426 PolarHBondContact O-OG1 3.45Å; E407-T426 PolarHBondContact OE1-OG1 3.22Å; H409-T426 PolarHBondContact CD2-OG1 3.35Å; H409-T426 PolarHBondContact NE2-OG1 2.99Å; T426-V430 WeakPolarHBondContact O-CG2 3.37Å
427	K	98.3	Very high	96.9	Very high	94 Å²	94	49.5 Å²	49.5	41%	0.409	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.1	173.9	-65.3	179.6	-177.3	145.6	0	111.6	T405 I406 E407 V425 V429	T405-K427 CarbonylContact O-C 3.45Å; T405-K427 WeakPolarHBondContact O-CB 3.47Å; I406-K427 WeakPolarHBondContact CA-O 3.2Å; E407-K427 HydrophobicContact CB-CB 3.77Å; E407-K427 HydrophobicContact CB-CD 4.15Å; E407-K427 HydrophobicContact CB-CG 4.02Å; E407-K427 PolarHBondContact N-O 3.3Å; E407-K427 WeakPolarHBondContact OE2-CD 3.47Å; E407-K427 VanDerWaalsContact OE2-CE 3.3Å; E407-K427 WeakPolarHBondContact OE2-CE 3.41Å; E407-K427 IonicContact OE2-NZ 3.31Å; E407-K427 PolarHBondContact OE2-NZ 3.3Å; V425-K427 WeakPolarHBondContact CG1-O 3.45Å; K427-V429 VanDerWaalsContact C-N 3.28Å
428	P	97.9	Very high	97.1	Very high	51 Å²	51	44.9 Å²	44.9	33%	0.331	23%	0.233	S	C	.	.	S	Bend	cis	-78.1	-10.4	-4.3	32.4	-35.3	0	0	0	113.3	I398 L400 T405	I398-P428 HydrophobicContact CG2-CG 4.14Å; L400-P428 HydrophobicContact CD2-CG 3.58Å; T405-P428 WeakPolarHBondContact O-CD 3.38Å
429	V	96.8	Very high	97.1	Very high	81 Å²	81	49.5 Å²	49.5	49%	0.491	25%	0.249	S	C	.	.	S	Bend	trans	-124.4	136.4	178.8	179.6	0	0	0	0	108.3	I398 K427	I398-V429 HydrophobicContact CD1-CB 4.44Å; I398-V429 HydrophobicContact CG2-CB 4.22Å; I398-V429 HydrophobicContact CG2-CG2 4.04Å; K427-V429 VanDerWaalsContact C-N 3.28Å
430	V	98	Very high	96.7	Very high	111 Å²	111	51.8 Å²	51.8	67%	0.673	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-78.9	123.3	175.7	-178.1	0	0	0	0	109.6	V425 T426	V425-V430 CarbonylContact O-C 3.48Å; V425-V430 VanDerWaalsContact O-CA 3.31Å; V425-V430 WeakPolarHBondContact O-CA 3.26Å; T426-V430 WeakPolarHBondContact O-CG2 3.37Å
431	T	97.8	Very high	96.5	Very high	30 Å²	30	52.2 Å²	52.2	18%	0.184	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-98.7	167.7	172	66.1	0	0	0	0	111.2	I398 V425	I398-T431 HydrophobicContact CD1-CG2 3.74Å; V425-T431 HydrophobicContact CB-CG2 4.13Å; V425-T431 PolarHBondContact N-OG1 3.08Å; V425-T431 PolarHBondContact O-N 2.75Å; V425-T431 PolarHBondContact O-OG1 3.41Å
432	R	96.5	Very high	96.2	Very high	185 Å²	185	53.1 Å²	53.1	70%	0.698	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-67.3	155.6	168.2	-62	178.4	-179.6	-177.9	-0.4	109.6	C424 H434	C424-R432 WeakPolarHBondContact CB-O 3.26Å; R432-H434 PolarHBondContact O-CE1 2.92Å; R432-H434 PolarHBondContact O-N 3.27Å; R432-H434 PolarHBondContact O-ND1 3.49Å
433	V	98	Very high	96	Very high	56 Å²	56	52.9 Å²	52.9	34%	0.339	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-66.9	124	163.6	-178.7	0	0	0	0	107.9	E422 C424	E422-V433 HydrophobicContact CB-CG1 3.97Å; E422-V433 HydrophobicContact CG-CG1 4.47Å; E422-V433 WeakPolarHBondContact OE2-CG1 3.38Å; C424-V433 HydrophobicContact CB-CG2 4.34Å
434	H	97.6	Very high	95.6	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.019	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-85.5	141.3	175.7	-63.1	67.4	0	0	0	109.1	L307 E308 Q395 E422 W423 R432 P436	L307-H434 PolarHBondContact O-CD2 3.15Å; E308-H434 HydrophobicContact CG-CB 4.3Å; E308-H434 WeakPolarHBondContact OE1-CA 3.47Å; Q395-H434 PolarHBondContact N-NE2 3.48Å; E422-H434 WeakPolarHBondContact CA-O 3.44Å; W423-H434 AromaticContact CD1-ND1 3.95Å; W423-H434 HydrophobicContact CD2-CB 3.78Å; W423-H434 VanDerWaalsContact CE2-CB 3.44Å; W423-H434 AromaticContact CE2-CG 3.78Å; W423-H434 HydrophobicContact CE3-CB 4.29Å; W423-H434 HydrophobicContact CG-CB 4.22Å; W423-H434 HydrophobicContact CH2-CB 4.25Å; W423-H434 HydrophobicContact CZ2-CB 3.71Å; W423-H434 HydrophobicContact CZ3-CB 4.5Å; W423-H434 AromaticContact NE1-CD2 3.89Å; W423-H434 AromaticContact NE1-CG 3.5Å; W423-H434 AromaticContact NE1-ND1 3.8Å; W423-H434 PolarHBondContact O-N 2.82Å; W423-H434 PolarHBondContact O-ND1 2.87Å; R432-H434 PolarHBondContact O-CE1 2.92Å; R432-H434 PolarHBondContact O-N 3.27Å; R432-H434 PolarHBondContact O-ND1 3.49Å; H434-P436 VanDerWaalsContact C-CD 3.49Å
435	N	96.1	Very high	95.1	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.011	28%	0.284	C	S	.	.	S	Bend	trans	58	40.1	178.5	-163.3	32.8	0	0	0	115.5	E308 Y421 E422 W423 N437 G438 R439 T440 S441	E308-N435 HydrophobicContact CB-CB 4.08Å; E308-N435 VanDerWaalsContact CD-N 3.32Å; E308-N435 WeakPolarHBondContact O-CB 3.39Å; E308-N435 PolarHBondContact OE1-N 3.44Å; Y421-N435 WeakPolarHBondContact O-CB 3.42Å; Y421-N435 PolarHBondContact O-ND2 3.15Å; E422-N435 WeakPolarHBondContact CG-O 3.4Å; W423-N435 HydrophobicContact CZ3-CB 4.32Å; N435-N437 PolarHBondContact O-N 3.09Å; N435-G438 PolarHBondContact O-N 3.26Å; N435-G438 WeakPolarHBondContact OD1-CA 3.49Å; N435-R439 PolarHBondContact OD1-N 3.03Å; N435-T440 PolarHBondContact OD1-N 3.43Å; N435-S441 PolarHBondContact ND2-O 2.85Å; N435-S441 PolarHBondContact OD1-N 3.3Å; N435-S441 PolarHBondContact OD1-O 2.73Å
436	P	96.4	Very high	94.4	Very high	34 Å²	34	59.5 Å²	59.5	22%	0.221	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-57.2	131.5	-177.6	26.8	-35.4	0	0	0	111.3	E422 H434 G438 R439	E422-P436 WeakPolarHBondContact OE1-CA 3.35Å; H434-P436 VanDerWaalsContact C-CD 3.49Å; P436-G438 PolarHBondContact O-N 3.28Å; P436-R439 HydrophobicContact CG-CG 4.34Å; P436-R439 WeakPolarHBondContact O-CB 3.33Å; P436-R439 WeakPolarHBondContact O-CG 3.42Å; P436-R439 PolarHBondContact O-N 3.03Å
437	N	94.7	Very high	93.1	Very high	123 Å²	123	61.5 Å²	61.5	66%	0.658	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	58.5	19.6	-175	-58.8	-51.8	0	0	0	115.3	K418 E422 N435 R439	K418-N437 PolarHBondContact NZ-O 2.84Å; K418-N437 VanDerWaalsContact NZ-O 3.12Å; E422-N437 PolarHBondContact OE1-N 2.72Å; N435-N437 PolarHBondContact O-N 3.09Å; N437-R439 VanDerWaalsContact C-N 3.31Å; N437-R439 PolarHBondContact O-N 3.23Å
438	G	93.4	Very high	91.3	Very high	7 Å²	7	59.2 Å²	59.2	7%	0.072	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	63.4	39.6	-175	0	0	0	0	0	111.2	W420 N435 P436 T440 V442	W420-G438 VanDerWaalsContact NE1-N 3.18Å; N435-G438 PolarHBondContact O-N 3.26Å; N435-G438 WeakPolarHBondContact OD1-CA 3.49Å; P436-G438 PolarHBondContact O-N 3.28Å; G438-T440 PolarHBondContact O-N 3.03Å; G438-V442 WeakPolarHBondContact O-CG1 3.17Å
439	R	91.9	Very high	88.7	Confident	157 Å²	157	63.6 Å²	63.6	59%	0.592	34%	0.342	S	S	*	.	S	Bend	trans	-68	-20.3	-175.5	66.2	170.4	-177.8	-161.8	-5.5	113.9	E308 N435 P436 N437	E308-R439 IonicContact OE1-CZ 3.73Å; E308-R439 IonicContact OE1-NE 2.73Å; E308-R439 IonicContact OE1-NH2 3.73Å; E308-R439 PolarHBondContact OE1-NH2 3.33Å; E308-R439 IonicContact OE2-CZ 3.93Å; E308-R439 VanDerWaalsContact OE2-CZ 3.25Å; E308-R439 IonicContact OE2-NE 3.07Å; E308-R439 PolarHBondContact OE2-NE 3.17Å; E308-R439 IonicContact OE2-NH2 3.34Å; E308-R439 PolarHBondContact OE2-NH2 3.44Å; N435-R439 PolarHBondContact OD1-N 3.03Å; P436-R439 HydrophobicContact CG-CG 4.34Å; P436-R439 WeakPolarHBondContact O-CB 3.33Å; P436-R439 WeakPolarHBondContact O-CG 3.42Å; P436-R439 PolarHBondContact O-N 3.03Å; N437-R439 VanDerWaalsContact C-N 3.31Å; N437-R439 PolarHBondContact O-N 3.23Å
440	T	89	Confident	85.9	Confident	49 Å²	49	68.6 Å²	68.6	30%	0.301	35%	0.352	S	S	.	.	S	Bend	trans	-121.2	-43.4	-174.4	-60.4	0	0	0	0	110.9	S306 E308 N435 G438	S306-T440 WeakPolarHBondContact OG-CG2 3.37Å; E308-T440 HydrophobicContact CB-CG2 4.19Å; E308-T440 PolarHBondContact OE2-OG1 3.01Å; N435-T440 PolarHBondContact OD1-N 3.43Å; G438-T440 PolarHBondContact O-N 3.03Å
441	S	91.4	Very high	82.7	Confident	33 Å²	33	73.3 Å²	73.3	23%	0.231	36%	0.364	C	S	.	.			trans	-130.3	126.9	-178.2	178.2	0	0	0	0	110.2	W420 N435	W420-S441 WeakPolarHBondContact CB-O 3.45Å; N435-S441 PolarHBondContact ND2-O 2.85Å; N435-S441 PolarHBondContact OD1-N 3.3Å; N435-S441 PolarHBondContact OD1-O 2.73Å
442	V	93.4	Very high	81.9	Confident	30 Å²	30	75.5 Å²	75.5	18%	0.182	37%	0.373	C	S	.	.			trans	-140.9	147.6	176.1	-64.8	0	0	0	0	107.6	K418 W420 G438	K418-V442 HydrophobicContact CB-CB 4.24Å; K418-V442 HydrophobicContact CD-CB 4.24Å; K418-V442 HydrophobicContact CD-CG1 3.79Å; W420-V442 HydrophobicContact CB-CG1 4.28Å; G438-V442 WeakPolarHBondContact O-CG1 3.17Å
443	I	93.7	Very high	81.1	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.2	173.4	-48.5	158.9	0	0	0	106.7	E122 N251 L253 K418 V419 Y421	E122-I443 HydrophobicContact CG-CG2 4.06Å; N251-I443 HydrophobicContact CB-CD1 4.34Å; N251-I443 WeakPolarHBondContact O-CD1 3.36Å; L253-I443 HydrophobicContact CD1-CB 4.23Å; L253-I443 HydrophobicContact CD1-CG2 3.57Å; L253-I443 HydrophobicContact CD2-CB 4.02Å; L253-I443 HydrophobicContact CD2-CD1 4.18Å; L253-I443 HydrophobicContact CD2-CG2 3.79Å; L253-I443 HydrophobicContact CG-CB 4.32Å; L253-I443 HydrophobicContact CG-CG2 3.57Å; K418-I443 WeakPolarHBondContact CA-O 3.24Å; V419-I443 PolarHBondContact N-O 2.9Å; V419-I443 PolarHBondContact O-N 2.56Å; Y421-I443 HydrophobicContact CE2-CD1 3.85Å
444	R	90.7	Very high	80.2	Confident	51 Å²	51	70.5 Å²	70.5	19%	0.192	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.7	-171.9	-67.1	174.1	-69	158.8	4.5	111.3	E122 D126 L253 F446	E122-R444 PolarHBondContact OE2-N 3.19Å; E122-R444 IonicContact OE2-NE 3.59Å; D126-R444 IonicContact OD1-CZ 3.86Å; D126-R444 IonicContact OD1-NH2 3.03Å; D126-R444 PolarHBondContact OD1-NH2 2.8Å; D126-R444 IonicContact OD2-NH2 2.72Å; D126-R444 PolarHBondContact OD2-NH2 2.99Å; L253-R444 WeakPolarHBondContact CD1-O 3.31Å; R444-F446 VanDerWaalsContact C-N 3.32Å
445	L	89.1	Confident	79.2	Confident	10 Å²	10	74.4 Å²	74.4	5%	0.052	38%	0.377	C	S	.	.	S	Bend	trans	-78.2	-17.2	175.1	-79.8	165.7	0	0	0	113	L124 R229 L253 E256 A415 H416 E417 V419	L124-L445 HydrophobicContact CD2-CD2 4.21Å; L124-L445 WeakPolarHBondContact CD2-O 3.48Å; R229-L445 PolarHBondContact NH1-O 3.04Å; R229-L445 PolarHBondContact NH2-O 3.27Å; L253-L445 HydrophobicContact CD1-CD2 3.76Å; L253-L445 HydrophobicContact CD1-CG 4.15Å; E256-L445 HydrophobicContact CB-CD2 3.57Å; E256-L445 HydrophobicContact CG-CD2 3.72Å; A415-L445 VanDerWaalsContact O-CD1 3.3Å; A415-L445 WeakPolarHBondContact O-CD1 3.25Å; H416-L445 WeakPolarHBondContact O-CD1 3.48Å; E417-L445 PolarHBondContact O-N 3.02Å; V419-L445 HydrophobicContact CG2-CD1 4.33Å; V419-L445 HydrophobicContact CG2-CD2 4.47Å; V419-L445 HydrophobicContact CG2-CG 4.35Å
446	F	83	Confident	78.1	Confident	89 Å²	89	78.9 Å²	78.9	39%	0.39	40%	0.399	S	S	.	.	S	Bend	trans	-134.6	147.9	-177.2	-56	-74.9	0	0	0	110.2	H416 R444	H416-F446 WeakPolarHBondContact O-CE2 3.43Å; R444-F446 VanDerWaalsContact C-N 3.32Å
447	S	72.3	Confident	76.9	Confident	80 Å²	80	81.9 Å²	81.9	56%	0.559	41%	0.411	S	S	*	.	S	Bend	trans	-74.4	135.8	171.8	38.5	0	0	0	0	111	G125	G125-S447 WeakPolarHBondContact O-CA 3.37Å; G125-S447 WeakPolarHBondContact O-CB 3.09Å
448	G	59.8	Low	75.6	Confident	46 Å²	46	79 Å²	79	47%	0.474	39%	0.394	S	S	.	.	S	Bend	trans	102.4	156.1	175.7	0	0	0	0	0	115.7	R450	G448-R450 VanDerWaalsContact C-N 3.3Å; G448-R450 PolarHBondContact O-N 2.94Å
449	D	43.6	Very low	74.2	Confident	143 Å²	143	84.5 Å²	84.5	77%	0.765	42%	0.418	S	S	*	.			trans	-71.4	79.9	175.1	-64.4	-35.2	0	0	0	110.3	F451	D449-F451 PolarHBondContact O-N 2.94Å
450	R	37.3	Very low	72.8	Confident	185 Å²	185	78.5 Å²	78.5	70%	0.698	40%	0.404	S	S	*	.			trans	-87.2	73.1	150.4	-68.6	-167.8	-157.2	-174.2	7.3	107.4	G448	G448-R450 VanDerWaalsContact C-N 3.3Å; G448-R450 PolarHBondContact O-N 2.94Å
451	F	30.1	Very low	71.3	Confident	211 Å²	211	81.2 Å²	81.2	93%	0.925	41%	0.413	S	S	*	.			trans	-125	0	167.8	-79.8	-69.8	0	0	0	109.7	D449	D449-F451 PolarHBondContact O-N 2.94Å

Retrieved 451 of 451 residues in 1393.9 ms (Link to these results)

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