A0A5K4ETA7_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A5K4ETA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 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	30.9	Very low	37	Very low	240 Å²	240	158.1 Å²	158.1	100%	1.182	80%	0.802	S	S	*	*				0	124.8	0	-85.5	174.5	167.1	0	0	108.7	F3	M1-F3 PolarHBondContact O-N 2.81Å
2	M	29.6	Very low	38.2	Very low	191 Å²	191	150.6 Å²	150.6	94%	0.941	78%	0.782	S	S	*	*			trans	-62.6	112	-177.6	-68.7	-161.1	-163.6	0	0	111.2
3	F	32.6	Very low	38.8	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.873	76%	0.761	S	S	*	*			trans	-122.1	100.8	146.7	-86.2	-79.9	0	0	0	106.8	M1 R5	M1-F3 PolarHBondContact O-N 2.81Å; F3-R5 PolarHBondContact O-N 3.48Å
4	G	32.8	Very low	39.5	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	75%	0.75	S	S	*	*			trans	-57.8	115.8	179.6	0	0	0	0	0	110.5	K6	G4-K6 VanDerWaalsContact C-N 3.3Å; G4-K6 PolarHBondContact O-N 3.15Å
5	R	36	Very low	40.5	Very low	249 Å²	249	141.8 Å²	141.8	94%	0.94	73%	0.734	S	S	*	*			trans	-61.9	92.8	163.3	-79.7	178.4	171.8	173.9	-3	108.1	F3 G7	F3-R5 PolarHBondContact O-N 3.48Å; R5-G7 PolarHBondContact O-N 3.38Å
6	K	37.1	Very low	41.5	Very low	209 Å²	209	136.9 Å²	136.9	91%	0.909	71%	0.709	S	S	*	*			trans	-67	77.5	155.2	-80.3	-173.5	176.3	180	0	107.5	G4 K8	G4-K6 VanDerWaalsContact C-N 3.3Å; G4-K6 PolarHBondContact O-N 3.15Å; K6-K8 PolarHBondContact O-N 3.48Å; K6-K8 VanDerWaalsContact O-N 3.14Å
7	G	37.4	Very low	42.3	Very low	60 Å²	60	131.2 Å²	131.2	62%	0.619	68%	0.683	S	S	*	*			trans	-59.3	113.5	163.8	0	0	0	0	0	107.2	R5 I9	R5-G7 PolarHBondContact O-N 3.38Å; G7-I9 VanDerWaalsContact C-N 3.3Å; G7-I9 PolarHBondContact O-N 3.1Å
8	K	39.9	Very low	43.1	Very low	196 Å²	196	131.8 Å²	131.8	85%	0.852	68%	0.68	S	S	*	*			trans	-58.6	95.4	171.6	-76.8	176.6	173.5	177.5	0	107.8	K6 V10	K6-K8 PolarHBondContact O-N 3.48Å; K6-K8 VanDerWaalsContact O-N 3.14Å; K8-V10 HydrophobicContact CB-CG2 4.4Å; K8-V10 PolarHBondContact O-N 3.38Å
9	I	39.6	Very low	43.9	Very low	144 Å²	144	130.5 Å²	130.5	74%	0.738	67%	0.67	S	S	*	*			trans	-69.2	84	159.9	-57.1	173.5	0	0	0	104.6	G7 N11	G7-I9 VanDerWaalsContact C-N 3.3Å; G7-I9 PolarHBondContact O-N 3.1Å; I9-N11 PolarHBondContact O-N 3.27Å
10	V	41.6	Very low	44.5	Very low	85 Å²	85	124.7 Å²	124.7	52%	0.515	64%	0.643	S	S	.	*			trans	-63.9	98.3	158.7	178.7	0	0	0	0	103.7	K8 A12	K8-V10 HydrophobicContact CB-CG2 4.4Å; K8-V10 PolarHBondContact O-N 3.38Å; V10-A12 PolarHBondContact O-N 3.29Å
11	N	49	Very low	45.3	Very low	93 Å²	93	120.5 Å²	120.5	50%	0.497	63%	0.627	S	S	.	*			trans	-47.5	122.8	-174.8	-97.3	-21.1	0	0	0	109.3	I9 D13 Q14	I9-N11 PolarHBondContact O-N 3.27Å; N11-D13 PolarHBondContact O-N 3Å; N11-Q14 PolarHBondContact O-N 3.28Å
12	A	52.1	Low	46.8	Very low	68 Å²	68	112.3 Å²	112.3	56%	0.562	59%	0.59	S	S	*	*	H	α-helix	trans	-50.1	-29.5	178.7	0	0	0	0	0	112.4	V10 Q14 N15 L16	V10-A12 PolarHBondContact O-N 3.29Å; A12-Q14 PolarHBondContact O-N 2.98Å; A12-N15 PolarHBondContact O-N 3.14Å; A12-L16 WeakPolarHBondContact O-CG 3.29Å; A12-L16 PolarHBondContact O-N 3Å
13	D	45.9	Very low	48.6	Very low	96 Å²	96	108.3 Å²	108.3	51%	0.513	57%	0.572	S	S	.	*	H	α-helix	trans	-61.5	-37.6	174.3	-72.6	-31.2	0	0	0	114.2	N11 L16 S17	N11-D13 PolarHBondContact O-N 3Å; D13-L16 PolarHBondContact O-N 2.92Å; D13-S17 PolarHBondContact O-N 3.44Å; D13-S17 PolarHBondContact O-OG 3.27Å
14	Q	47.9	Very low	50.2	Low	130 Å²	130	102 Å²	102	61%	0.607	55%	0.546	S	S	*	.	H	α-helix	trans	-66.9	-43.7	177.3	-75.8	-173.2	-15.1	0	0	111.2	N11 A12 L16 S17 F18	N11-Q14 PolarHBondContact O-N 3.28Å; A12-Q14 PolarHBondContact O-N 2.98Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.14Å; Q14-S17 PolarHBondContact O-N 3.5Å; Q14-S17 PolarHBondContact O-OG 2.96Å; Q14-F18 PolarHBondContact O-N 2.89Å
15	N	55.1	Low	51.8	Low	94 Å²	94	102.3 Å²	102.3	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-40.6	175.9	-86	-24.4	0	0	0	111.9	A12 F18 Q19	A12-N15 PolarHBondContact O-N 3.14Å; N15-F18 PolarHBondContact O-N 3.11Å; N15-Q19 WeakPolarHBondContact O-CG 3.42Å; N15-Q19 PolarHBondContact O-N 3.34Å
16	L	55.9	Low	53.1	Low	64 Å²	64	94 Å²	94	34%	0.335	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-47	176.8	-75.4	166.9	0	0	0	111.2	A12 D13 Q14 F18 Q19 A20 K617	A12-L16 WeakPolarHBondContact O-CG 3.29Å; A12-L16 PolarHBondContact O-N 3Å; D13-L16 PolarHBondContact O-N 2.92Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.14Å; L16-F18 VanDerWaalsContact C-N 3.3Å; L16-F18 PolarHBondContact O-N 3.44Å; L16-Q19 WeakPolarHBondContact O-CB 3.31Å; L16-Q19 PolarHBondContact O-N 2.94Å; L16-Q19 VanDerWaalsContact O-N 3.11Å; L16-A20 PolarHBondContact O-N 3.03Å; L16-K617 VanDerWaalsContact C-CE 3.49Å; L16-K617 HydrophobicContact CB-CD 4.04Å; L16-K617 WeakPolarHBondContact O-CE 2.85Å; L16-K617 PolarHBondContact O-NZ 2.77Å
17	S	56	Low	54.5	Low	39 Å²	39	89.2 Å²	89.2	27%	0.273	48%	0.484	S	S	.	.	H	α-helix	trans	-55.7	-43.3	176.2	71.8	0	0	0	0	113.1	D13 Q14 Q19 A20 A21	D13-S17 PolarHBondContact O-N 3.44Å; D13-S17 PolarHBondContact O-OG 3.27Å; Q14-S17 PolarHBondContact O-N 3.5Å; Q14-S17 PolarHBondContact O-OG 2.96Å; S17-Q19 PolarHBondContact O-N 2.98Å; S17-A20 PolarHBondContact O-N 3.34Å; S17-A21 PolarHBondContact O-N 2.96Å; S17-A21 VanDerWaalsContact O-N 3.1Å
18	F	57	Low	55.9	Low	142 Å²	142	91.1 Å²	91.1	62%	0.623	47%	0.473	S	S	*	.	H	α-helix	trans	-62	-44.1	175.4	-174.1	-99.4	0	0	0	111.9	Q14 N15 L16 A20 A21 V22	Q14-F18 PolarHBondContact O-N 2.89Å; N15-F18 PolarHBondContact O-N 3.11Å; L16-F18 VanDerWaalsContact C-N 3.3Å; L16-F18 PolarHBondContact O-N 3.44Å; F18-A20 PolarHBondContact O-N 3.22Å; F18-A21 PolarHBondContact O-N 2.98Å; F18-V22 HydrophobicContact CD1-CG2 4.19Å; F18-V22 HydrophobicContact CE1-CG2 3.85Å; F18-V22 HydrophobicContact CZ-CG2 4.1Å; F18-V22 WeakPolarHBondContact O-CG2 3.28Å; F18-V22 PolarHBondContact O-N 3.31Å
19	Q	57.1	Low	57.2	Low	107 Å²	107	89.9 Å²	89.9	50%	0.5	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-42.4	177.6	-73.5	173.3	-10	0	0	113.3	N15 L16 S17 V22 I23	N15-Q19 WeakPolarHBondContact O-CG 3.42Å; N15-Q19 PolarHBondContact O-N 3.34Å; L16-Q19 WeakPolarHBondContact O-CB 3.31Å; L16-Q19 PolarHBondContact O-N 2.94Å; L16-Q19 VanDerWaalsContact O-N 3.11Å; S17-Q19 PolarHBondContact O-N 2.98Å; Q19-V22 PolarHBondContact O-N 3.27Å; Q19-I23 WeakPolarHBondContact O-CG1 3.46Å; Q19-I23 PolarHBondContact O-N 3.46Å
20	A	56.7	Low	58.5	Low	15 Å²	15	90.6 Å²	90.6	12%	0.124	46%	0.461	C	S	.	.	H	α-helix	trans	-63.1	-45.2	175.4	0	0	0	0	0	111.9	L16 S17 F18 V22 I23 I24 K617	L16-A20 PolarHBondContact O-N 3.03Å; S17-A20 PolarHBondContact O-N 3.34Å; F18-A20 PolarHBondContact O-N 3.22Å; A20-V22 PolarHBondContact O-N 3.5Å; A20-I23 PolarHBondContact O-N 3.42Å; A20-I23 VanDerWaalsContact O-N 3.13Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 3.11Å; A20-K617 HydrophobicContact CB-CD 4.07Å; A20-K617 HydrophobicContact CB-CG 3.87Å
21	A	61.3	Low	59.7	Low	37 Å²	37	88.4 Å²	88.4	31%	0.306	45%	0.448	S	S	.	.	H	α-helix	trans	-58	-41	178.2	0	0	0	0	0	111.3	S17 F18 Q25	S17-A21 PolarHBondContact O-N 2.96Å; S17-A21 VanDerWaalsContact O-N 3.1Å; F18-A21 PolarHBondContact O-N 2.98Å; A21-Q25 WeakPolarHBondContact O-CB 3.31Å; A21-Q25 VanDerWaalsContact O-CG 3.24Å; A21-Q25 WeakPolarHBondContact O-CG 3.46Å; A21-Q25 PolarHBondContact O-N 3.18Å
22	V	63.2	Low	60.6	Low	68 Å²	68	89 Å²	89	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-47	174.7	172.5	0	0	0	0	111.5	F18 Q19 A20 I24 Q25 C26	F18-V22 HydrophobicContact CD1-CG2 4.19Å; F18-V22 HydrophobicContact CE1-CG2 3.85Å; F18-V22 HydrophobicContact CZ-CG2 4.1Å; F18-V22 WeakPolarHBondContact O-CG2 3.28Å; F18-V22 PolarHBondContact O-N 3.31Å; Q19-V22 PolarHBondContact O-N 3.27Å; A20-V22 PolarHBondContact O-N 3.5Å; V22-I24 PolarHBondContact O-N 3.16Å; V22-Q25 PolarHBondContact O-N 2.64Å; V22-C26 WeakPolarHBondContact O-CB 3.45Å; V22-C26 PolarHBondContact O-N 3.34Å; V22-C26 PolarHBondContact O-SG 2.93Å
23	I	66.9	Low	61.4	Low	107 Å²	107	88.6 Å²	88.6	55%	0.549	44%	0.443	S	S	.	.	H	α-helix	trans	-61.2	-47	179.4	-68.5	167.9	0	0	0	111.3	Q19 A20 Q25 C26 W27	Q19-I23 WeakPolarHBondContact O-CG1 3.46Å; Q19-I23 PolarHBondContact O-N 3.46Å; A20-I23 PolarHBondContact O-N 3.42Å; A20-I23 VanDerWaalsContact O-N 3.13Å; I23-Q25 PolarHBondContact O-N 2.92Å; I23-C26 PolarHBondContact O-N 3.45Å; I23-W27 WeakPolarHBondContact O-CB 3.46Å; I23-W27 PolarHBondContact O-N 3Å
24	I	65.5	Low	62.6	Low	65 Å²	65	90.7 Å²	90.7	33%	0.333	44%	0.444	S	S	.	.	H	α-helix	trans	-62.5	-43.3	178.6	-66.3	168.3	0	0	0	110.6	A20 V22 W27 Y28	A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 3.11Å; V22-I24 PolarHBondContact O-N 3.16Å; I24-W27 PolarHBondContact O-N 3.46Å; I24-Y28 WeakPolarHBondContact O-CB 3.49Å; I24-Y28 PolarHBondContact O-N 3.12Å
25	Q	66	Low	63.7	Low	81 Å²	81	87.1 Å²	87.1	38%	0.379	43%	0.429	S	S	.	.	H	α-helix	trans	-64.1	-40.8	176.5	-75.8	-65.1	-47.9	0	0	112.1	A21 V22 I23 R29	A21-Q25 WeakPolarHBondContact O-CB 3.31Å; A21-Q25 VanDerWaalsContact O-CG 3.24Å; A21-Q25 WeakPolarHBondContact O-CG 3.46Å; A21-Q25 PolarHBondContact O-N 3.18Å; V22-Q25 PolarHBondContact O-N 2.64Å; I23-Q25 PolarHBondContact O-N 2.92Å; Q25-R29 WeakPolarHBondContact O-CB 3.38Å; Q25-R29 WeakPolarHBondContact O-CG 3.5Å; Q25-R29 PolarHBondContact O-N 3.49Å
26	C	63.4	Low	64.6	Low	75 Å²	75	85.9 Å²	85.9	51%	0.507	42%	0.42	S	S	.	.	H	α-helix	trans	-62.4	-45.4	174.8	-74.7	0	0	0	0	111.6	V22 I23 R29 K30	V22-C26 WeakPolarHBondContact O-CB 3.45Å; V22-C26 PolarHBondContact O-N 3.34Å; V22-C26 PolarHBondContact O-SG 2.93Å; I23-C26 PolarHBondContact O-N 3.45Å; C26-R29 PolarHBondContact O-N 3.22Å; C26-K30 WeakPolarHBondContact O-CB 3.45Å; C26-K30 PolarHBondContact O-N 3.15Å
27	W	68.1	Low	65.6	Low	108 Å²	108	86.9 Å²	86.9	41%	0.409	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-51.2	175.5	174.1	84.2	0	0	0	111.7	I23 I24 R29 K30 C31	I23-W27 WeakPolarHBondContact O-CB 3.46Å; I23-W27 PolarHBondContact O-N 3Å; I24-W27 PolarHBondContact O-N 3.46Å; W27-R29 VanDerWaalsContact C-N 3.33Å; W27-R29 PolarHBondContact O-N 3.16Å; W27-K30 WeakPolarHBondContact O-CB 3.46Å; W27-K30 PolarHBondContact O-N 2.71Å; W27-C31 PolarHBondContact NE1-SG 3.29Å; W27-C31 PolarHBondContact O-N 3.18Å
28	Y	65.8	Low	66.7	Low	100 Å²	100	85.4 Å²	85.4	39%	0.392	41%	0.41	S	S	.	.	H	α-helix	trans	-57.8	-44.5	178.9	173.3	-101.5	0	0	0	111.9	I24 K30 C31 K32	I24-Y28 WeakPolarHBondContact O-CB 3.49Å; I24-Y28 PolarHBondContact O-N 3.12Å; Y28-K30 VanDerWaalsContact C-N 3.35Å; Y28-K30 PolarHBondContact O-N 3.2Å; Y28-C31 PolarHBondContact O-N 3.43Å; Y28-K32 HydrophobicContact CE1-CD 4.41Å; Y28-K32 VanDerWaalsContact O-CB 3.3Å; Y28-K32 WeakPolarHBondContact O-CB 3.32Å; Y28-K32 PolarHBondContact O-N 3.01Å
29	R	67	Low	67.7	Low	170 Å²	170	81.4 Å²	81.4	64%	0.642	39%	0.391	S	S	*	.	H	α-helix	trans	-62.9	-40.8	176	-72.5	172	-173.4	-162.6	1.9	111.7	Q25 C26 W27 A33	Q25-R29 WeakPolarHBondContact O-CB 3.38Å; Q25-R29 WeakPolarHBondContact O-CG 3.5Å; Q25-R29 PolarHBondContact O-N 3.49Å; C26-R29 PolarHBondContact O-N 3.22Å; W27-R29 VanDerWaalsContact C-N 3.33Å; W27-R29 PolarHBondContact O-N 3.16Å; R29-A33 WeakPolarHBondContact O-CB 3.47Å; R29-A33 PolarHBondContact O-N 3.29Å
30	K	67.6	Low	68.9	Low	159 Å²	159	83.3 Å²	83.3	69%	0.691	40%	0.398	S	S	*	.	H	α-helix	trans	-64.4	-46	176.4	-173.8	179.2	-180	-179.7	0	111.7	C26 W27 Y28 A33 R34	C26-K30 WeakPolarHBondContact O-CB 3.45Å; C26-K30 PolarHBondContact O-N 3.15Å; W27-K30 WeakPolarHBondContact O-CB 3.46Å; W27-K30 PolarHBondContact O-N 2.71Å; Y28-K30 VanDerWaalsContact C-N 3.35Å; Y28-K30 PolarHBondContact O-N 3.2Å; K30-A33 PolarHBondContact O-N 2.88Å; K30-R34 WeakPolarHBondContact O-CB 3.43Å; K30-R34 PolarHBondContact O-N 3.03Å
31	C	67	Low	70.2	Confident	38 Å²	38	82.7 Å²	82.7	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-46.5	176.6	-69.8	0	0	0	0	111.3	W27 Y28 A33 R34 L35	W27-C31 PolarHBondContact NE1-SG 3.29Å; W27-C31 PolarHBondContact O-N 3.18Å; Y28-C31 PolarHBondContact O-N 3.43Å; C31-A33 PolarHBondContact O-N 3.27Å; C31-R34 PolarHBondContact O-N 3.38Å; C31-L35 WeakPolarHBondContact O-CG 3.25Å; C31-L35 PolarHBondContact O-N 3.48Å
32	K	67	Low	71.3	Confident	106 Å²	106	81.1 Å²	81.1	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-59.4	-46.1	175.3	-172.1	177.1	-179.8	-177.2	0	111.4	Y28 R34 L35 E36	Y28-K32 HydrophobicContact CE1-CD 4.41Å; Y28-K32 VanDerWaalsContact O-CB 3.3Å; Y28-K32 WeakPolarHBondContact O-CB 3.32Å; Y28-K32 PolarHBondContact O-N 3.01Å; K32-R34 VanDerWaalsContact C-N 3.32Å; K32-R34 PolarHBondContact O-N 3.3Å; K32-L35 PolarHBondContact O-N 2.84Å; K32-E36 HydrophobicContact CG-CG 4.4Å; K32-E36 WeakPolarHBondContact O-CG 3.48Å; K32-E36 PolarHBondContact O-N 2.8Å
33	A	69	Low	72.2	Confident	60 Å²	60	80.1 Å²	80.1	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-40.4	176.6	0	0	0	0	0	112.2	R29 K30 C31 F37	R29-A33 WeakPolarHBondContact O-CB 3.47Å; R29-A33 PolarHBondContact O-N 3.29Å; K30-A33 PolarHBondContact O-N 2.88Å; C31-A33 PolarHBondContact O-N 3.27Å; A33-F37 VanDerWaalsContact O-CB 3.25Å; A33-F37 WeakPolarHBondContact O-CB 3.4Å; A33-F37 PolarHBondContact O-N 2.85Å
34	R	71.2	Confident	73.1	Confident	140 Å²	140	79.1 Å²	79.1	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-64.9	-41.2	175.7	-173.4	178.4	-179.4	-172.4	-2	112.2	K30 C31 K32 F37 R38	K30-R34 WeakPolarHBondContact O-CB 3.43Å; K30-R34 PolarHBondContact O-N 3.03Å; C31-R34 PolarHBondContact O-N 3.38Å; K32-R34 VanDerWaalsContact C-N 3.32Å; K32-R34 PolarHBondContact O-N 3.3Å; R34-F37 PolarHBondContact O-N 3.34Å; R34-R38 WeakPolarHBondContact O-CB 3.36Å; R34-R38 PolarHBondContact O-N 3.49Å
35	L	71.2	Confident	74	Confident	54 Å²	54	76 Å²	76	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-46.2	176.4	-70.6	173.3	0	0	0	111.7	C31 K32 F37 R38 R39 I542	C31-L35 WeakPolarHBondContact O-CG 3.25Å; C31-L35 PolarHBondContact O-N 3.48Å; K32-L35 PolarHBondContact O-N 2.84Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 2.89Å; L35-R38 PolarHBondContact O-N 3.42Å; L35-R39 WeakPolarHBondContact O-CG 3.46Å; L35-R39 PolarHBondContact O-N 3.33Å; L35-I542 HydrophobicContact CD2-CD1 3.65Å; L35-I542 HydrophobicContact CD2-CG1 4.4Å; L35-I542 HydrophobicContact CD2-CG2 4.07Å
36	E	74	Confident	74.9	Confident	68 Å²	68	73 Å²	73	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-38.9	175.6	-68.7	-52	138.6	0	0	111.8	K32 R39 K40	K32-E36 HydrophobicContact CG-CG 4.4Å; K32-E36 WeakPolarHBondContact O-CG 3.48Å; K32-E36 PolarHBondContact O-N 2.8Å; E36-R39 PolarHBondContact O-N 2.94Å; E36-R39 IonicContact OE1-CZ 3.41Å; E36-R39 IonicContact OE1-NH1 3.3Å; E36-R39 PolarHBondContact OE1-NH1 3.4Å; E36-R39 IonicContact OE2-NH1 3.72Å; E36-K40 WeakPolarHBondContact O-CG 3.42Å; E36-K40 PolarHBondContact O-N 2.98Å
37	F	76.7	Confident	75.7	Confident	85 Å²	85	72.3 Å²	72.3	37%	0.373	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-43.4	173.9	-177.6	-101.2	0	0	0	112	A33 R34 L35 R39 K40 C41 C510 F514	A33-F37 VanDerWaalsContact O-CB 3.25Å; A33-F37 WeakPolarHBondContact O-CB 3.4Å; A33-F37 PolarHBondContact O-N 2.85Å; R34-F37 PolarHBondContact O-N 3.34Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 2.89Å; F37-R39 VanDerWaalsContact C-N 3.35Å; F37-R39 PolarHBondContact O-N 2.98Å; F37-K40 PolarHBondContact O-N 3.45Å; F37-C41 WeakPolarHBondContact O-CB 3.41Å; F37-C41 PolarHBondContact O-N 2.88Å; F37-C41 PolarHBondContact O-SG 3.39Å; F37-C510 HydrophobicContact CE1-CB 4.39Å; F37-C510 WeakPolarHBondContact CE1-O 3.29Å; F37-C510 HydrophobicContact CE2-CB 4.3Å; F37-C510 HydrophobicContact CZ-CB 3.56Å; F37-F514 AromaticContact CD1-CE2 3.99Å; F37-F514 HydrophobicContact CD1-CE2 3.99Å; F37-F514 AromaticContact CD1-CZ 3.9Å; F37-F514 HydrophobicContact CD1-CZ 3.9Å; F37-F514 AromaticContact CE1-CE2 3.95Å; F37-F514 HydrophobicContact CE1-CE2 3.95Å; F37-F514 HydrophobicContact CE1-CZ 4.24Å
38	R	79.4	Confident	76.4	Confident	8 Å²	8	67.8 Å²	67.8	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-40.4	175.4	-171.2	177.7	167.2	93.9	-9.1	111.5	R34 L35 C41 A42 V456 N457 F460 F514 V537	R34-R38 WeakPolarHBondContact O-CB 3.36Å; R34-R38 PolarHBondContact O-N 3.49Å; L35-R38 PolarHBondContact O-N 3.42Å; R38-C41 WeakPolarHBondContact O-CB 3.39Å; R38-C41 PolarHBondContact O-N 2.99Å; R38-A42 WeakPolarHBondContact O-CB 3.43Å; R38-A42 PolarHBondContact O-N 2.94Å; R38-V456 HydrophobicContact CG-CG1 3.7Å; R38-N457 PolarHBondContact NH2-OD1 3.34Å; R38-F460 HydrophobicContact CG-CD2 4.44Å; R38-F460 HydrophobicContact CG-CE2 3.51Å; R38-F460 HydrophobicContact CG-CZ 4Å; R38-F514 HydrophobicContact CB-CE1 3.86Å; R38-F514 HydrophobicContact CB-CE2 4.3Å; R38-F514 HydrophobicContact CB-CZ 3.56Å; R38-F514 HydrophobicContact CG-CD1 4.21Å; R38-F514 HydrophobicContact CG-CE1 3.72Å; R38-F514 HydrophobicContact CG-CE2 4.29Å; R38-F514 HydrophobicContact CG-CZ 3.76Å; R38-V537 PolarHBondContact NH2-O 2.9Å
39	R	78.6	Confident	77.1	Confident	59 Å²	59	64.7 Å²	64.7	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-48.3	174.3	-76.4	177.9	-175.5	165.2	7.7	112.1	L35 E36 F37 C41 A42 W43 V456	L35-R39 WeakPolarHBondContact O-CG 3.46Å; L35-R39 PolarHBondContact O-N 3.33Å; E36-R39 PolarHBondContact O-N 2.94Å; E36-R39 IonicContact OE1-CZ 3.41Å; E36-R39 IonicContact OE1-NH1 3.3Å; E36-R39 PolarHBondContact OE1-NH1 3.4Å; E36-R39 IonicContact OE2-NH1 3.72Å; F37-R39 VanDerWaalsContact C-N 3.35Å; F37-R39 PolarHBondContact O-N 2.98Å; R39-C41 VanDerWaalsContact C-N 3.3Å; R39-C41 PolarHBondContact O-N 3.39Å; R39-A42 PolarHBondContact O-N 3.04Å; R39-W43 WeakPolarHBondContact O-CB 3.39Å; R39-W43 PolarHBondContact O-N 3.41Å; R39-V456 HydrophobicContact CB-CG2 4.49Å; R39-V456 HydrophobicContact CG-CG2 3.68Å
40	K	82.2	Confident	77.5	Confident	147 Å²	147	58.1 Å²	58.1	64%	0.639	27%	0.272	S	S	*	.	H	α-helix	trans	-60.7	-39.3	176.2	-72	-177.8	177.3	-169	0	112.4	E36 F37 W43 Q44	E36-K40 WeakPolarHBondContact O-CG 3.42Å; E36-K40 PolarHBondContact O-N 2.98Å; F37-K40 PolarHBondContact O-N 3.45Å; K40-W43 WeakPolarHBondContact O-CB 3.37Å; K40-W43 PolarHBondContact O-N 3.36Å; K40-Q44 WeakPolarHBondContact O-CG 3.44Å; K40-Q44 PolarHBondContact O-N 3.34Å
41	C	84.4	Confident	77.6	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-47.8	174.3	-71.6	0	0	0	0	111.8	F37 R38 R39 W43 Q44 V45 F460 L511 F514	F37-C41 WeakPolarHBondContact O-CB 3.41Å; F37-C41 PolarHBondContact O-N 2.88Å; F37-C41 PolarHBondContact O-SG 3.39Å; R38-C41 WeakPolarHBondContact O-CB 3.39Å; R38-C41 PolarHBondContact O-N 2.99Å; R39-C41 VanDerWaalsContact C-N 3.3Å; R39-C41 PolarHBondContact O-N 3.39Å; C41-W43 VanDerWaalsContact C-N 3.25Å; C41-W43 PolarHBondContact O-N 2.84Å; C41-Q44 PolarHBondContact O-N 2.7Å; C41-V45 VanDerWaalsContact O-CG2 3.29Å; C41-V45 WeakPolarHBondContact O-CG2 3.41Å; C41-V45 PolarHBondContact O-N 3Å; C41-F460 HydrophobicContact CB-CZ 3.89Å; C41-L511 HydrophobicContact CB-CD2 3.66Å; C41-F514 HydrophobicContact CB-CE2 4.14Å
42	A	83.1	Confident	77.5	Confident	3 Å²	3	52.7 Å²	52.7	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-38.9	176	0	0	0	0	0	112.2	R38 R39 V45 N46 V456 A459 F460	R38-A42 WeakPolarHBondContact O-CB 3.43Å; R38-A42 PolarHBondContact O-N 2.94Å; R39-A42 PolarHBondContact O-N 3.04Å; A42-V45 WeakPolarHBondContact O-CB 3.38Å; A42-V45 PolarHBondContact O-N 2.88Å; A42-N46 PolarHBondContact O-N 2.87Å; A42-V456 HydrophobicContact CB-CB 4.2Å; A42-V456 HydrophobicContact CB-CG1 3.75Å; A42-V456 HydrophobicContact CB-CG2 4.47Å; A42-A459 HydrophobicContact CB-CB 3.67Å; A42-F460 HydrophobicContact CB-CD2 4.4Å; A42-F460 HydrophobicContact CB-CE2 3.92Å
43	W	82.8	Confident	76.8	Confident	48 Å²	48	51.2 Å²	51.2	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.1	-173	-94.4	0	0	0	112.5	R39 K40 C41 V45 N46 Q47 C360 M362 F383 N388	R39-W43 WeakPolarHBondContact O-CB 3.39Å; R39-W43 PolarHBondContact O-N 3.41Å; K40-W43 WeakPolarHBondContact O-CB 3.37Å; K40-W43 PolarHBondContact O-N 3.36Å; C41-W43 VanDerWaalsContact C-N 3.25Å; C41-W43 PolarHBondContact O-N 2.84Å; W43-V45 PolarHBondContact O-N 2.84Å; W43-N46 PolarHBondContact O-N 2.93Å; W43-Q47 PolarHBondContact O-N 2.95Å; W43-C360 WeakPolarHBondContact CZ2-O 3.4Å; W43-M362 HydrophobicContact CE3-CB 4.39Å; W43-M362 HydrophobicContact CH2-CB 4.26Å; W43-M362 VanDerWaalsContact CH2-N 3.31Å; W43-M362 HydrophobicContact CZ3-CB 4.02Å; W43-M362 HydrophobicContact CZ3-CG 4.5Å; W43-F383 HydrophobicContact CH2-CE2 4.22Å; W43-F383 HydrophobicContact CZ3-CE2 4.35Å; W43-N388 HydrophobicContact CH2-CB 4.06Å; W43-N388 HydrophobicContact CZ3-CB 4.06Å
44	Q	85	Confident	75.8	Confident	85 Å²	85	50.5 Å²	50.5	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-60.7	-34.5	176	-72.3	178.7	-27.7	0	0	112.6	K40 C41 S48 L506	K40-Q44 WeakPolarHBondContact O-CG 3.44Å; K40-Q44 PolarHBondContact O-N 3.34Å; C41-Q44 PolarHBondContact O-N 2.7Å; Q44-S48 VanDerWaalsContact O-CB 3.31Å; Q44-S48 WeakPolarHBondContact O-CB 3.39Å; Q44-S48 PolarHBondContact O-N 3.42Å; Q44-S48 PolarHBondContact O-OG 3.45Å; Q44-L506 HydrophobicContact CB-CD2 4.2Å; Q44-L506 WeakPolarHBondContact O-CD2 3.39Å
45	V	85.4	Confident	74.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-52.4	174.9	166.4	0	0	0	0	110.9	C41 A42 W43 Q47 S48 L49 A459 L463 L506 L511	C41-V45 VanDerWaalsContact O-CG2 3.29Å; C41-V45 WeakPolarHBondContact O-CG2 3.41Å; C41-V45 PolarHBondContact O-N 3Å; A42-V45 WeakPolarHBondContact O-CB 3.38Å; A42-V45 PolarHBondContact O-N 2.88Å; W43-V45 PolarHBondContact O-N 2.84Å; V45-Q47 VanDerWaalsContact C-N 3.35Å; V45-Q47 PolarHBondContact O-N 3.43Å; V45-S48 PolarHBondContact O-N 3.29Å; V45-S48 VanDerWaalsContact O-N 3.11Å; V45-L49 HydrophobicContact CG1-CD1 3.81Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CG 3.25Å; V45-L49 PolarHBondContact O-N 3.24Å; V45-A459 HydrophobicContact CB-CB 4.48Å; V45-A459 HydrophobicContact CG1-CB 4.2Å; V45-A459 VanDerWaalsContact CG1-O 3.27Å; V45-A459 WeakPolarHBondContact CG1-O 3.44Å; V45-L463 HydrophobicContact CG1-CB 3.71Å; V45-L463 HydrophobicContact CG1-CD2 4.36Å; V45-L463 HydrophobicContact CG1-CG 4.44Å; V45-L463 HydrophobicContact CG2-CD2 3.74Å; V45-L506 HydrophobicContact CG2-CD1 4.24Å; V45-L506 HydrophobicContact CG2-CD2 4.08Å; V45-L511 HydrophobicContact CG2-CD1 4.17Å; V45-L511 HydrophobicContact CG2-CD2 3.88Å
46	N	83.7	Confident	72.9	Confident	18 Å²	18	53.5 Å²	53.5	10%	0.096	26%	0.26	C	S	.	.	H	α-helix	trans	-57.1	-48.6	177.8	-75.7	-14.5	0	0	0	111.5	A42 W43 S48 L49 E50 F383 A459	A42-N46 PolarHBondContact O-N 2.87Å; W43-N46 PolarHBondContact O-N 2.93Å; N46-S48 VanDerWaalsContact C-N 3.3Å; N46-S48 PolarHBondContact O-N 2.85Å; N46-L49 PolarHBondContact O-N 3.2Å; N46-E50 WeakPolarHBondContact O-CB 3.4Å; N46-E50 PolarHBondContact O-N 3.38Å; N46-F383 HydrophobicContact CB-CB 4.24Å; N46-F383 HydrophobicContact CB-CD1 3.8Å; N46-F383 HydrophobicContact CB-CD2 3.78Å; N46-F383 HydrophobicContact CB-CE1 4.03Å; N46-F383 HydrophobicContact CB-CE2 4Å; N46-F383 HydrophobicContact CB-CG 3.67Å; N46-F383 HydrophobicContact CB-CZ 4.12Å; N46-A459 WeakPolarHBondContact OD1-CB 3.07Å
47	Q	81.5	Confident	71.4	Confident	61 Å²	61	54 Å²	54	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-38	175.9	-72.1	-171.6	-13.2	0	0	112.7	W43 V45 E50 Y51 F383	W43-Q47 PolarHBondContact O-N 2.95Å; V45-Q47 VanDerWaalsContact C-N 3.35Å; V45-Q47 PolarHBondContact O-N 3.43Å; Q47-E50 WeakPolarHBondContact O-CB 3.33Å; Q47-Y51 WeakPolarHBondContact O-CD2 3.33Å; Q47-Y51 WeakPolarHBondContact O-CE2 3.25Å; Q47-F383 HydrophobicContact CG-CZ 4.28Å
48	S	82.2	Confident	69.5	Low	13 Å²	13	53.9 Å²	53.9	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-73.1	-39.5	-179.9	-63.5	0	0	0	0	112.1	Q44 V45 N46 E50 Y51 V52 L506	Q44-S48 VanDerWaalsContact O-CB 3.31Å; Q44-S48 WeakPolarHBondContact O-CB 3.39Å; Q44-S48 PolarHBondContact O-N 3.42Å; Q44-S48 PolarHBondContact O-OG 3.45Å; V45-S48 PolarHBondContact O-N 3.29Å; V45-S48 VanDerWaalsContact O-N 3.11Å; N46-S48 VanDerWaalsContact C-N 3.3Å; N46-S48 PolarHBondContact O-N 2.85Å; S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 2.63Å; S48-Y51 PolarHBondContact O-N 2.93Å; S48-V52 WeakPolarHBondContact O-CG2 3.36Å; S48-L506 WeakPolarHBondContact OG-CD2 3.22Å
49	L	80.3	Confident	67.5	Low	35 Å²	35	60.1 Å²	60.1	18%	0.183	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-32.3	178.2	-69.6	175.6	0	0	0	111.6	V45 N46 Y51 V52 C462 L504	V45-L49 HydrophobicContact CG1-CD1 3.81Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CG 3.25Å; V45-L49 PolarHBondContact O-N 3.24Å; N46-L49 PolarHBondContact O-N 3.2Å; L49-Y51 VanDerWaalsContact C-N 3.26Å; L49-Y51 PolarHBondContact O-N 3.25Å; L49-V52 PolarHBondContact O-N 3.12Å; L49-C462 HydrophobicContact CD1-CB 3.67Å; L49-L504 HydrophobicContact CD2-CD1 4.29Å; L49-L504 HydrophobicContact CD2-CD2 4.22Å
50	E	75.8	Confident	65.3	Low	32 Å²	32	58.2 Å²	58.2	15%	0.15	30%	0.303	C	S	.	.	H	α-helix	trans	-54.7	-36.4	177.7	-174.2	-179	-173.3	0	0	113.7	N46 Q47 S48 R189 Y382 F383	N46-E50 WeakPolarHBondContact O-CB 3.4Å; N46-E50 PolarHBondContact O-N 3.38Å; Q47-E50 WeakPolarHBondContact O-CB 3.33Å; S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 2.63Å; E50-R189 VanDerWaalsContact CG-CZ 3.41Å; E50-R189 VanDerWaalsContact CG-NH1 3.27Å; E50-R189 PolarHBondContact O-NH1 3.46Å; E50-R189 IonicContact OE1-CZ 2.9Å; E50-R189 IonicContact OE1-NE 2.57Å; E50-R189 IonicContact OE1-NH2 3.02Å; E50-Y382 WeakPolarHBondContact OE1-CE1 3.15Å; E50-Y382 PolarHBondContact OE1-OH 3.14Å; E50-F383 HydrophobicContact CB-CE1 4.16Å; E50-F383 HydrophobicContact CG-CE1 4.37Å
51	Y	68.4	Low	63.2	Low	40 Å²	40	54.8 Å²	54.8	16%	0.157	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.5	-176.6	-64.9	-89.6	0	0	0	113.9	Q47 S48 L49 R226 F330 R331	Q47-Y51 WeakPolarHBondContact O-CD2 3.33Å; Q47-Y51 WeakPolarHBondContact O-CE2 3.25Å; S48-Y51 PolarHBondContact O-N 2.93Å; L49-Y51 VanDerWaalsContact C-N 3.26Å; L49-Y51 PolarHBondContact O-N 3.25Å; Y51-R226 PolarHBondContact O-NH2 2.88Å; Y51-F330 AromaticContact CD2-CE1 3.72Å; Y51-F330 HydrophobicContact CD2-CE1 3.72Å; Y51-F330 HydrophobicContact CD2-CE2 4.38Å; Y51-F330 AromaticContact CD2-CZ 3.44Å; Y51-F330 HydrophobicContact CD2-CZ 3.44Å; Y51-F330 VanDerWaalsContact CD2-CZ 3.44Å; Y51-F330 HydrophobicContact CE1-CE1 4.31Å; Y51-F330 HydrophobicContact CE2-CD1 4.46Å; Y51-F330 AromaticContact CE2-CE1 3.31Å; Y51-F330 HydrophobicContact CE2-CE1 3.31Å; Y51-F330 AromaticContact CE2-CZ 3.45Å; Y51-F330 HydrophobicContact CE2-CZ 3.45Å; Y51-F330 VanDerWaalsContact CE2-CZ 3.45Å; Y51-F330 HydrophobicContact CG-CE1 4.44Å; Y51-F330 HydrophobicContact CG-CZ 4.27Å; Y51-F330 AromaticContact CZ-CE1 3.64Å; Y51-R331 PolarHBondContact OH-NE 2.89Å; Y51-R331 PolarHBondContact OH-NH2 3.41Å
52	V	65.8	Low	60.8	Low	42 Å²	42	61.3 Å²	61.3	26%	0.255	32%	0.321	S	S	.	.			trans	-102.8	114	-179.4	-160.4	0	0	0	0	110.3	S48 L49 D54 L504	S48-V52 WeakPolarHBondContact O-CG2 3.36Å; L49-V52 PolarHBondContact O-N 3.12Å; V52-D54 PolarHBondContact O-N 3.31Å; V52-L504 HydrophobicContact CG2-CD2 3.55Å
53	T	52.7	Low	58.4	Low	76 Å²	76	67.2 Å²	67.2	47%	0.466	35%	0.352	S	S	.	.			trans	-76.8	115.2	175.5	49.5	0	0	0	0	109.7	R226	T53-R226 HydrophobicContact CG2-CG 3.39Å; T53-R226 VanDerWaalsContact CG2-NE 3.31Å
54	D	46.3	Very low	56.1	Low	45 Å²	45	67 Å²	67	24%	0.241	35%	0.354	C	S	.	.			trans	-109.4	129.9	153.2	-81.2	1.9	0	0	0	107.8	V52 S56 R466 R469	V52-D54 PolarHBondContact O-N 3.31Å; D54-S56 PolarHBondContact O-N 2.81Å; D54-R466 IonicContact OD1-CZ 2.72Å; D54-R466 IonicContact OD1-NH1 3.34Å; D54-R466 PolarHBondContact OD1-NH1 2.88Å; D54-R466 IonicContact OD1-NH2 3.46Å; D54-R466 PolarHBondContact OD1-NH2 2.87Å; D54-R466 IonicContact OD2-CZ 3.3Å; D54-R466 IonicContact OD2-NE 2.73Å; D54-R466 PolarHBondContact OD2-NE 3.14Å; D54-R466 IonicContact OD2-NH1 2.81Å; D54-R466 PolarHBondContact OD2-NH1 3.08Å; D54-R466 IonicContact OD2-NH2 3.06Å; D54-R466 PolarHBondContact OD2-NH2 3.13Å; D54-R469 IonicContact OD2-CZ 3.76Å; D54-R469 IonicContact OD2-NH1 3.19Å; D54-R469 PolarHBondContact OD2-NH1 3.31Å
55	E	42.8	Very low	53.7	Low	197 Å²	197	65.1 Å²	65.1	92%	0.921	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-8.2	-179.9	-67.6	-175.4	158.7	0	0	113.7
56	S	40.8	Very low	51.4	Low	59 Å²	59	68.2 Å²	68.2	41%	0.413	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	9.2	-169.1	61.7	0	0	0	0	116.1	D54 S58 E59	D54-S56 PolarHBondContact O-N 2.81Å; S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact O-N 2.77Å; S56-E59 PolarHBondContact O-N 3.02Å
57	D	40.7	Very low	49.1	Very low	79 Å²	79	71.3 Å²	71.3	42%	0.422	39%	0.391	S	S	.	.	H	α-helix	trans	-69	-16.3	-167.5	-84.1	-14.1	0	0	0	116.2	E59 R469	D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.73Å; D57-R469 IonicContact OD1-CZ 3.68Å; D57-R469 IonicContact OD1-NH1 3.84Å; D57-R469 PolarHBondContact OD1-NH1 3.2Å; D57-R469 IonicContact OD1-NH2 3.58Å; D57-R469 PolarHBondContact OD1-NH2 2.84Å
58	S	37.9	Very low	47	Very low	82 Å²	82	75.1 Å²	75.1	57%	0.573	41%	0.406	S	S	*	.	H	α-helix	trans	-70.3	-24.7	177.4	52.3	0	0	0	0	114.2	S56	S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact O-N 2.77Å
59	E	36.3	Very low	44.7	Very low	140 Å²	140	77.6 Å²	77.6	65%	0.654	44%	0.435	S	S	*	.	H	α-helix	trans	-88.8	-33.1	-173.8	-69.6	-175.5	167.7	0	0	113.8	S56 D57 L61 Q62 L63	S56-E59 PolarHBondContact O-N 3.02Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 2.73Å; E59-L61 PolarHBondContact O-N 2.91Å; E59-Q62 PolarHBondContact O-N 2.8Å; E59-L63 PolarHBondContact O-N 2.95Å
60	G	33.4	Very low	42.6	Very low	19 Å²	19	78.1 Å²	78.1	20%	0.196	44%	0.438	C	S	.	.	H	α-helix	trans	-67.9	-33.1	-171.2	0	0	0	0	0	114.7	Q465	G60-Q465 PolarHBondContact O-NE2 2.98Å; G60-Q465 VanDerWaalsContact O-NE2 3.15Å
61	L	36.8	Very low	40.7	Very low	74 Å²	74	84.9 Å²	84.9	39%	0.387	47%	0.466	S	S	.	.	H	α-helix	trans	-76.8	-40	-179.5	-121.9	153.1	0	0	0	111.6	E59 I64 L65 M458	E59-L61 PolarHBondContact O-N 2.91Å; L61-I64 PolarHBondContact O-N 2.78Å; L61-L65 HydrophobicContact CD2-CD1 4.08Å; L61-L65 HydrophobicContact CD2-CG 4.5Å; L61-L65 WeakPolarHBondContact O-CG 3.2Å; L61-L65 PolarHBondContact O-N 3.36Å; L61-L65 VanDerWaalsContact O-N 3.13Å; L61-M458 HydrophobicContact CD2-CE 3.66Å
62	Q	34.5	Very low	39.3	Very low	140 Å²	140	88 Å²	88	65%	0.654	49%	0.485	S	S	*	.	H	α-helix	trans	-63.3	-41.9	175.4	-84.5	-178.1	-8.6	0	0	112.1	E59 I64 L65 S66	E59-Q62 PolarHBondContact O-N 2.8Å; Q62-I64 VanDerWaalsContact C-N 3.32Å; Q62-I64 PolarHBondContact O-N 3.3Å; Q62-L65 PolarHBondContact O-N 2.87Å; Q62-S66 PolarHBondContact O-N 3.2Å; Q62-S66 VanDerWaalsContact O-N 3.07Å
63	L	32.4	Very low	38	Very low	126 Å²	126	86 Å²	86	66%	0.66	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-42.2	-178.8	-137.6	97.1	0	0	0	111.7	E59 S66 S67	E59-L63 PolarHBondContact O-N 2.95Å; L63-S66 PolarHBondContact O-OG 3.4Å; L63-S67 PolarHBondContact O-N 2.8Å; L63-S67 VanDerWaalsContact O-N 3.11Å
64	I	34.5	Very low	37.1	Very low	44 Å²	44	85.7 Å²	85.7	23%	0.226	48%	0.475	C	S	.	.	H	α-helix	trans	-77.4	-39.5	-178.5	-67.2	-162.8	0	0	0	112.6	L61 Q62 S66 S67 F68 Q465	L61-I64 PolarHBondContact O-N 2.78Å; Q62-I64 VanDerWaalsContact C-N 3.32Å; Q62-I64 PolarHBondContact O-N 3.3Å; I64-S66 PolarHBondContact O-N 3.35Å; I64-S67 VanDerWaalsContact CA-OG 3.3Å; I64-S67 WeakPolarHBondContact CA-OG 3.22Å; I64-S67 CarbonylContact O-C 3.56Å; I64-S67 WeakPolarHBondContact O-CA 3.38Å; I64-S67 WeakPolarHBondContact O-CB 3.34Å; I64-S67 PolarHBondContact O-N 3.03Å; I64-S67 PolarHBondContact O-OG 3.41Å; I64-F68 HydrophobicContact CG2-CD2 3.41Å; I64-F68 VanDerWaalsContact CG2-CD2 3.41Å; I64-F68 HydrophobicContact CG2-CE2 3.18Å; I64-F68 HydrophobicContact CG2-CZ 4.33Å; I64-F68 WeakPolarHBondContact O-CD2 3.41Å; I64-F68 PolarHBondContact O-N 3.33Å; I64-Q465 HydrophobicContact CD1-CG 4.18Å
65	L	36.1	Very low	36.6	Very low	46 Å²	46	88.8 Å²	88.8	24%	0.241	49%	0.491	C	S	.	.	H	α-helix	trans	-57.9	-37.8	173.8	-73.8	167.2	0	0	0	111.1	L61 Q62 F68 A73 F77	L61-L65 HydrophobicContact CD2-CD1 4.08Å; L61-L65 HydrophobicContact CD2-CG 4.5Å; L61-L65 WeakPolarHBondContact O-CG 3.2Å; L61-L65 PolarHBondContact O-N 3.36Å; L61-L65 VanDerWaalsContact O-N 3.13Å; Q62-L65 PolarHBondContact O-N 2.87Å; L65-F68 PolarHBondContact O-N 3.01Å; L65-A73 HydrophobicContact CD2-CB 4.44Å; L65-F77 HydrophobicContact CD1-CE2 3.9Å
66	S	37	Very low	36.3	Very low	64 Å²	64	84.3 Å²	84.3	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-67.2	-33.8	172.3	83.2	0	0	0	0	113.1	Q62 L63 I64 G69	Q62-S66 PolarHBondContact O-N 3.2Å; Q62-S66 VanDerWaalsContact O-N 3.07Å; L63-S66 PolarHBondContact O-OG 3.4Å; I64-S66 PolarHBondContact O-N 3.35Å; S66-G69 PolarHBondContact O-N 2.84Å
67	S	35.1	Very low	36.1	Very low	83 Å²	83	86.2 Å²	86.2	58%	0.58	47%	0.47	S	S	*	.	H	α-helix	trans	-73.1	-26	178.3	78.5	0	0	0	0	113.8	L63 I64 G69	L63-S67 PolarHBondContact O-N 2.8Å; L63-S67 VanDerWaalsContact O-N 3.11Å; I64-S67 VanDerWaalsContact CA-OG 3.3Å; I64-S67 WeakPolarHBondContact CA-OG 3.22Å; I64-S67 CarbonylContact O-C 3.56Å; I64-S67 WeakPolarHBondContact O-CA 3.38Å; I64-S67 WeakPolarHBondContact O-CB 3.34Å; I64-S67 PolarHBondContact O-N 3.03Å; I64-S67 PolarHBondContact O-OG 3.41Å; S67-G69 PolarHBondContact O-N 3.37Å
68	F	38	Very low	35.6	Very low	141 Å²	141	86.5 Å²	86.5	62%	0.618	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	13.2	174	-75.1	-64.2	0	0	0	113.5	I64 L65 D70	I64-F68 HydrophobicContact CG2-CD2 3.41Å; I64-F68 VanDerWaalsContact CG2-CD2 3.41Å; I64-F68 HydrophobicContact CG2-CE2 3.18Å; I64-F68 HydrophobicContact CG2-CZ 4.33Å; I64-F68 WeakPolarHBondContact O-CD2 3.41Å; I64-F68 PolarHBondContact O-N 3.33Å; L65-F68 PolarHBondContact O-N 3.01Å; F68-D70 PolarHBondContact O-N 2.98Å
69	G	32.9	Very low	35.4	Very low	66 Å²	66	86.6 Å²	86.6	68%	0.68	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	1.7	169.9	0	0	0	0	0	115.1	S66 S67 K71	S66-G69 PolarHBondContact O-N 2.84Å; S67-G69 PolarHBondContact O-N 3.37Å; G69-K71 PolarHBondContact O-N 2.78Å
70	D	35.6	Very low	35.1	Very low	46 Å²	46	85.7 Å²	85.7	25%	0.246	47%	0.47	C	S	.	.			trans	-96.7	69.9	176.1	-155.8	6.3	0	0	0	108.5	F68 D72 A73 K76 R450	F68-D70 PolarHBondContact O-N 2.98Å; D70-D72 PolarHBondContact O-N 3.38Å; D70-D72 VanDerWaalsContact O-N 3.13Å; D70-A73 HydrophobicContact CB-CB 3.93Å; D70-A73 VanDerWaalsContact O-CB 3.25Å; D70-A73 WeakPolarHBondContact O-CB 3.49Å; D70-A73 PolarHBondContact O-N 3.08Å; D70-K76 IonicContact OD1-NZ 2.74Å; D70-K76 IonicContact OD2-NZ 2.93Å; D70-R450 IonicContact OD2-NH2 3.39Å; D70-R450 PolarHBondContact OD2-NH2 2.97Å
71	K	36.1	Very low	35	Very low	174 Å²	174	93.2 Å²	93.2	76%	0.757	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.5	173.2	-74.3	-169.7	176.6	-175.8	0	111.7	G69 S74	G69-K71 PolarHBondContact O-N 2.78Å; K71-S74 PolarHBondContact O-OG 2.91Å
72	D	40	Very low	34.7	Very low	104 Å²	104	98 Å²	98	56%	0.556	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.5	176.9	-66.5	-33.8	0	0	0	114.1	D70 S74 N75 K76	D70-D72 PolarHBondContact O-N 3.38Å; D70-D72 VanDerWaalsContact O-N 3.13Å; D72-S74 PolarHBondContact O-N 3.21Å; D72-N75 PolarHBondContact O-N 3.47Å; D72-N75 VanDerWaalsContact O-N 3.08Å; D72-K76 PolarHBondContact O-N 3.29Å
73	A	38.1	Very low	34.7	Very low	0 Å²	0	94.2 Å²	94.2	0%	0	50%	0.5	C	S	.	.	H	α-helix	trans	-59.7	-36.1	176.5	0	0	0	0	0	111.6	L65 D70 N75 K76 F77	L65-A73 HydrophobicContact CD2-CB 4.44Å; D70-A73 HydrophobicContact CB-CB 3.93Å; D70-A73 VanDerWaalsContact O-CB 3.25Å; D70-A73 WeakPolarHBondContact O-CB 3.49Å; D70-A73 PolarHBondContact O-N 3.08Å; A73-N75 VanDerWaalsContact C-N 3.26Å; A73-N75 PolarHBondContact O-N 3.03Å; A73-K76 PolarHBondContact O-N 3.24Å; A73-K76 VanDerWaalsContact O-N 3.07Å; A73-F77 HydrophobicContact CB-CE2 4.33Å; A73-F77 WeakPolarHBondContact O-CD2 3.44Å; A73-F77 PolarHBondContact O-N 3.25Å; A73-F77 VanDerWaalsContact O-N 3.15Å
74	S	34.6	Very low	34.7	Very low	71 Å²	71	93.6 Å²	93.6	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-56.4	-40.4	175.2	59.7	0	0	0	0	112.3	K71 D72	K71-S74 PolarHBondContact O-OG 2.91Å; D72-S74 PolarHBondContact O-N 3.21Å
75	N	35.9	Very low	34.8	Very low	109 Å²	109	99 Å²	99	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-79.8	-26	176	-73.1	-24.5	0	0	0	112.7	D72 A73 F77 L78	D72-N75 PolarHBondContact O-N 3.47Å; D72-N75 VanDerWaalsContact O-N 3.08Å; A73-N75 VanDerWaalsContact C-N 3.26Å; A73-N75 PolarHBondContact O-N 3.03Å; N75-F77 VanDerWaalsContact C-N 3.33Å; N75-F77 PolarHBondContact O-N 3.05Å; N75-L78 CarbonylContact O-C 3.59Å; N75-L78 PolarHBondContact O-N 3.31Å
76	K	35.9	Very low	35.1	Very low	103 Å²	103	103.1 Å²	103.1	45%	0.448	56%	0.556	S	S	.	*	H	α-helix	trans	-71.1	-24.6	175.1	-79.7	178.8	-178.9	166.2	0	113.6	D70 D72 A73 L78	D70-K76 IonicContact OD1-NZ 2.74Å; D70-K76 IonicContact OD2-NZ 2.93Å; D72-K76 PolarHBondContact O-N 3.29Å; A73-K76 PolarHBondContact O-N 3.24Å; A73-K76 VanDerWaalsContact O-N 3.07Å; K76-L78 VanDerWaalsContact C-N 3.26Å
77	F	36.3	Very low	35.9	Very low	99 Å²	99	101.7 Å²	101.7	43%	0.434	55%	0.546	S	S	.	.	S	Bend	trans	-73.6	-20.9	173.3	-72.2	-71.2	0	0	0	112.6	L65 A73 N75 L385	L65-F77 HydrophobicContact CD1-CE2 3.9Å; A73-F77 HydrophobicContact CB-CE2 4.33Å; A73-F77 WeakPolarHBondContact O-CD2 3.44Å; A73-F77 PolarHBondContact O-N 3.25Å; A73-F77 VanDerWaalsContact O-N 3.15Å; N75-F77 VanDerWaalsContact C-N 3.33Å; N75-F77 PolarHBondContact O-N 3.05Å; F77-L385 HydrophobicContact CE1-CB 4.43Å
78	L	30.8	Very low	37.4	Very low	86 Å²	86	105 Å²	105	45%	0.45	56%	0.558	S	S	.	*	S	Bend	trans	-105.3	88.6	176	-66	166.8	0	0	0	108.4	N75 K76 N80	N75-L78 CarbonylContact O-C 3.59Å; N75-L78 PolarHBondContact O-N 3.31Å; K76-L78 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.02Å
79	C	32.2	Very low	39.5	Very low	84 Å²	84	99 Å²	99	57%	0.568	53%	0.531	S	S	*	.			trans	-68.8	85.4	171.2	-169	0	0	0	0	109.1	R81	C79-R81 PolarHBondContact O-N 3.23Å
80	N	31.5	Very low	41.8	Very low	121 Å²	121	99.8 Å²	99.8	65%	0.647	52%	0.52	S	S	*	.			trans	-76	76.4	166.3	-69.7	-9.9	0	0	0	108.3	L78 E82	L78-N80 PolarHBondContact O-N 3.02Å; N80-E82 VanDerWaalsContact C-N 3.34Å; N80-E82 PolarHBondContact O-N 2.86Å
81	R	31.1	Very low	43.9	Very low	176 Å²	176	98.7 Å²	98.7	66%	0.664	52%	0.515	S	S	*	.			trans	-82.8	97.7	143.7	-85.6	-172.3	176.5	179.1	0.8	104.7	C79 P83	C79-R81 PolarHBondContact O-N 3.23Å; R81-P83 WeakPolarHBondContact O-CD 3.19Å
82	E	30.8	Very low	46.1	Very low	176 Å²	176	92.9 Å²	92.9	82%	0.822	49%	0.493	S	S	*	.			trans	-55.1	112	159	-73.4	-167.9	164.3	0	0	106.1	N80 S84	N80-E82 VanDerWaalsContact C-N 3.34Å; N80-E82 PolarHBondContact O-N 2.86Å; E82-S84 PolarHBondContact O-N 3.37Å; E82-S84 VanDerWaalsContact O-N 3.12Å
83	P	34.4	Very low	47.8	Very low	59 Å²	59	89.6 Å²	89.6	38%	0.383	48%	0.477	S	S	.	.			trans	-62	120.2	159.7	-7.9	26.3	0	0	0	104.1	R81 F85	R81-P83 WeakPolarHBondContact O-CD 3.19Å; P83-F85 HydrophobicContact CB-CD2 4.28Å; P83-F85 PolarHBondContact O-N 3.32Å
84	S	32.4	Very low	49.9	Very low	114 Å²	114	95.8 Å²	95.8	80%	0.797	51%	0.51	S	S	*	.	S	Bend	trans	-70.2	67.4	171	59.6	0	0	0	0	109.1	E82	E82-S84 PolarHBondContact O-N 3.37Å; E82-S84 VanDerWaalsContact O-N 3.12Å
85	F	36.9	Very low	51.9	Low	157 Å²	157	97.8 Å²	97.8	69%	0.689	51%	0.511	S	S	*	.			trans	-129	104.3	164.1	-74.2	-78.8	0	0	0	104.8	P83 S87 T110	P83-F85 HydrophobicContact CB-CD2 4.28Å; P83-F85 PolarHBondContact O-N 3.32Å; F85-S87 VanDerWaalsContact C-N 3.34Å; F85-S87 PolarHBondContact O-N 3.43Å; F85-T110 HydrophobicContact CB-CG2 4Å
86	T	42.6	Very low	54.2	Low	133 Å²	133	93.2 Å²	93.2	82%	0.816	49%	0.486	S	S	*	.			trans	-59.8	102.9	165.5	47.6	0	0	0	0	106.5	D88	T86-D88 PolarHBondContact O-N 3.4Å
87	S	53	Low	56.5	Low	34 Å²	34	94.8 Å²	94.8	24%	0.238	50%	0.495	C	S	.	.			trans	-74.7	115.9	179.5	66.3	0	0	0	0	108.6	F85 F89	F85-S87 VanDerWaalsContact C-N 3.34Å; F85-S87 PolarHBondContact O-N 3.43Å; S87-F89 PolarHBondContact O-N 2.92Å
88	D	67.2	Low	58.9	Low	153 Å²	153	93.5 Å²	93.5	82%	0.818	49%	0.49	S	S	*	.			trans	-71.2	9.1	173.5	-72.2	-24.4	0	0	0	113	T86 N90	T86-D88 PolarHBondContact O-N 3.4Å; D88-N90 PolarHBondContact O-N 3.49Å
89	F	80.6	Confident	61.5	Low	14 Å²	14	94.5 Å²	94.5	6%	0.061	50%	0.501	C	S	.	.			trans	-63.3	113.2	176.5	-169.6	-101.5	0	0	0	110.2	S87 P91 N104 F108 W111 F122 M202	S87-F89 PolarHBondContact O-N 2.92Å; F89-P91 HydrophobicContact CD1-CB 4.2Å; F89-P91 HydrophobicContact CE1-CB 3.84Å; F89-P91 VanDerWaalsContact O-CD 3.27Å; F89-P91 WeakPolarHBondContact O-CD 3.47Å; F89-N104 HydrophobicContact CE2-CB 4.39Å; F89-N104 WeakPolarHBondContact CE2-O 3.41Å; F89-F108 HydrophobicContact CD1-CD2 4.03Å; F89-F108 HydrophobicContact CD2-CB 4.13Å; F89-F108 HydrophobicContact CE1-CB 4.46Å; F89-F108 AromaticContact CE1-CD2 3.53Å; F89-F108 HydrophobicContact CE1-CD2 3.53Å; F89-F108 HydrophobicContact CE1-CE2 4.26Å; F89-F108 HydrophobicContact CE1-CG 4.45Å; F89-F108 HydrophobicContact CE2-CB 3.92Å; F89-F108 HydrophobicContact CE2-CD2 4.4Å; F89-F108 HydrophobicContact CG-CB 4.49Å; F89-F108 HydrophobicContact CZ-CB 4.1Å; F89-F108 AromaticContact CZ-CD2 3.74Å; F89-F108 HydrophobicContact CZ-CD2 3.74Å; F89-F108 HydrophobicContact CZ-CG 4.3Å; F89-W111 HydrophobicContact CB-CB 3.76Å; F89-W111 HydrophobicContact CB-CG 4.03Å; F89-W111 HydrophobicContact CD1-CB 4.09Å; F89-W111 HydrophobicContact CD1-CD2 4.04Å; F89-W111 HydrophobicContact CD1-CE3 4.47Å; F89-W111 AromaticContact CD1-CG 3.83Å; F89-W111 HydrophobicContact CD1-CG 3.83Å; F89-W111 HydrophobicContact CG-CB 4.19Å; F89-W111 HydrophobicContact CG-CG 4.33Å; F89-F122 HydrophobicContact CE1-CE2 4.15Å; F89-F122 AromaticContact CE1-CZ 3.99Å; F89-F122 HydrophobicContact CE1-CZ 3.99Å; F89-F122 AromaticContact CZ-CE2 3.8Å; F89-F122 HydrophobicContact CZ-CE2 3.8Å; F89-F122 AromaticContact CZ-CZ 3.65Å; F89-F122 HydrophobicContact CZ-CZ 3.65Å; F89-M202 HydrophobicContact CZ-CE 4.34Å
90	N	81.6	Confident	64.3	Low	82 Å²	82	90.8 Å²	90.8	44%	0.439	48%	0.476	S	S	.	.			trans	-92.4	107.3	170.4	-175.5	7.2	0	0	0	109.1	D88 D92 H95	D88-N90 PolarHBondContact O-N 3.49Å; N90-D92 PolarHBondContact O-N 2.68Å; N90-D92 WeakPolarHBondContact OD1-CB 3.49Å; N90-D92 PolarHBondContact OD1-N 3.44Å; N90-H95 PolarHBondContact ND2-CD2 2.85Å; N90-H95 VanDerWaalsContact ND2-CD2 3.29Å
91	P	80	Confident	67.1	Low	23 Å²	23	87.4 Å²	87.4	15%	0.149	46%	0.46	C	S	.	.			trans	-75.2	33.6	178	35.2	-38.9	0	0	0	112.7	F89 W111 P119 F122	F89-P91 HydrophobicContact CD1-CB 4.2Å; F89-P91 HydrophobicContact CE1-CB 3.84Å; F89-P91 VanDerWaalsContact O-CD 3.27Å; F89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-W111 HydrophobicContact CB-CZ2 4.26Å; P91-W111 HydrophobicContact CG-CZ2 3.95Å; P91-P119 HydrophobicContact CB-CG 3.84Å; P91-P119 HydrophobicContact CG-CG 3.7Å; P91-F122 HydrophobicContact CB-CD2 4.37Å; P91-F122 HydrophobicContact CB-CG 4.32Å; P91-F122 WeakPolarHBondContact O-CB 3.45Å
92	D	82.4	Confident	70	Confident	53 Å²	53	83.7 Å²	83.7	28%	0.283	45%	0.451	S	S	.	.			trans	-87.7	121.3	172.5	179.1	-11.3	0	0	0	109.2	N90 N94 H95	N90-D92 PolarHBondContact O-N 2.68Å; N90-D92 WeakPolarHBondContact OD1-CB 3.49Å; N90-D92 PolarHBondContact OD1-N 3.44Å; D92-N94 PolarHBondContact O-N 2.91Å; D92-N94 WeakPolarHBondContact OD1-CB 3.46Å; D92-N94 PolarHBondContact OD1-N 3.46Å; D92-N94 PolarHBondContact OD1-ND2 3.29Å; D92-H95 PolarHBondContact O-N 2.97Å; D92-H95 IonicContact OD2-CD2 3.73Å
93	P	76.7	Confident	72.8	Confident	35 Å²	35	81.8 Å²	81.8	23%	0.227	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-45.8	-33.5	175.1	-31.8	36.8	0	0	0	115.5	H95 L96 N121 L125	P93-H95 PolarHBondContact O-N 3.01Å; P93-L96 PolarHBondContact O-N 3.34Å; P93-N121 HydrophobicContact CG-CB 3.74Å; P93-L125 HydrophobicContact CB-CD2 3.82Å
94	N	80.6	Confident	75.5	Confident	130 Å²	130	80.8 Å²	80.8	70%	0.695	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18	-177.2	-62	-52.1	0	0	0	113.3	D92	D92-N94 PolarHBondContact O-N 2.91Å; D92-N94 WeakPolarHBondContact OD1-CB 3.46Å; D92-N94 PolarHBondContact OD1-N 3.46Å; D92-N94 PolarHBondContact OD1-ND2 3.29Å
95	H	77.7	Confident	78.5	Confident	112 Å²	112	75.4 Å²	75.4	52%	0.519	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-98	-1.3	179.5	-71.2	-84.8	0	0	0	113.2	N90 D92 P93	N90-H95 PolarHBondContact ND2-CD2 2.85Å; N90-H95 VanDerWaalsContact ND2-CD2 3.29Å; D92-H95 PolarHBondContact O-N 2.97Å; D92-H95 IonicContact OD2-CD2 3.73Å; P93-H95 PolarHBondContact O-N 3.01Å
96	L	83.6	Confident	81.2	Confident	13 Å²	13	71.6 Å²	71.6	7%	0.068	38%	0.382	C	S	.	.			trans	-101.4	108.6	179.5	-164	71.9	0	0	0	110.5	P93 F98 I100 N104 F122 L125 I126 M202	P93-L96 PolarHBondContact O-N 3.34Å; L96-F98 HydrophobicContact CD2-CE1 4.25Å; L96-F98 HydrophobicContact CD2-CE2 4.23Å; L96-F98 HydrophobicContact CD2-CZ 3.64Å; L96-F98 HydrophobicContact CG-CE2 4.42Å; L96-F98 HydrophobicContact CG-CZ 4.22Å; L96-I100 HydrophobicContact CD1-CD1 4.26Å; L96-I100 HydrophobicContact CD1-CG1 4.19Å; L96-I100 HydrophobicContact CD1-CG2 3.99Å; L96-I100 HydrophobicContact CD2-CD1 3.93Å; L96-I100 HydrophobicContact CD2-CG1 4.32Å; L96-I100 HydrophobicContact CG-CD1 4.36Å; L96-I100 HydrophobicContact CG-CG1 4.25Å; L96-N104 HydrophobicContact CD1-CB 4.45Å; L96-F122 HydrophobicContact CD2-CE2 3.87Å; L96-F122 HydrophobicContact CD2-CZ 4.37Å; L96-L125 HydrophobicContact CB-CD2 4.34Å; L96-L125 HydrophobicContact CD2-CD2 4.07Å; L96-I126 HydrophobicContact CD2-CG2 4.45Å; L96-M202 HydrophobicContact CD1-CE 4.42Å; L96-M202 HydrophobicContact CD2-SD 4.42Å
97	H	84.4	Confident	83.5	Confident	136 Å²	136	67.2 Å²	67.2	63%	0.63	36%	0.357	S	S	*	.			trans	-93.5	149	173.3	-61.1	-68.5	0	0	0	110.7	P99 I100	H97-P99 CarbonylContact O-C 3.56Å; H97-I100 WeakPolarHBondContact O-CA 3.17Å
98	F	86.4	Confident	85.5	Confident	73 Å²	73	65.6 Å²	65.6	32%	0.32	35%	0.345	S	S	.	.	S	Bend	trans	-114.3	137.4	179.7	-66.9	-86.9	0	0	0	110.8	L96 I100 L125 K129 L205	L96-F98 HydrophobicContact CD2-CE1 4.25Å; L96-F98 HydrophobicContact CD2-CE2 4.23Å; L96-F98 HydrophobicContact CD2-CZ 3.64Å; L96-F98 HydrophobicContact CG-CE2 4.42Å; L96-F98 HydrophobicContact CG-CZ 4.22Å; F98-I100 HydrophobicContact CD1-CD1 4.36Å; F98-I100 HydrophobicContact CD1-CG1 3.77Å; F98-I100 HydrophobicContact CE1-CD1 3.8Å; F98-I100 HydrophobicContact CE1-CG1 3.68Å; F98-L125 HydrophobicContact CE2-CD1 4.08Å; F98-L125 HydrophobicContact CE2-CD2 4.03Å; F98-L125 HydrophobicContact CE2-CG 4.21Å; F98-L125 HydrophobicContact CZ-CD1 4.34Å; F98-L125 HydrophobicContact CZ-CD2 4.14Å; F98-L125 HydrophobicContact CZ-CG 4.1Å; F98-K129 HydrophobicContact CD1-CD 4.29Å; F98-K129 HydrophobicContact CD1-CG 4.44Å; F98-K129 HydrophobicContact CD2-CD 4.2Å; F98-K129 HydrophobicContact CD2-CG 4.46Å; F98-K129 HydrophobicContact CE1-CB 3.97Å; F98-K129 HydrophobicContact CE1-CD 4.24Å; F98-K129 HydrophobicContact CE1-CG 3.89Å; F98-K129 HydrophobicContact CE2-CD 4.15Å; F98-K129 HydrophobicContact CE2-CG 3.92Å; F98-K129 HydrophobicContact CG-CD 4.28Å; F98-K129 HydrophobicContact CZ-CB 4.08Å; F98-K129 HydrophobicContact CZ-CD 4.17Å; F98-K129 HydrophobicContact CZ-CG 3.61Å; F98-L205 HydrophobicContact CE1-CB 4.45Å; F98-L205 HydrophobicContact CE1-CD1 4.12Å
99	P	86.3	Confident	86.8	Confident	107 Å²	107	59.3 Å²	59.3	70%	0.695	31%	0.311	S	S	*	.	S	Bend	cis	-61.9	148.8	-4.1	28.2	-35.3	0	0	0	112.2	H97 P101	H97-P99 CarbonylContact O-C 3.56Å; P99-P101 WeakPolarHBondContact O-CD 3.36Å
100	I	89.6	Confident	87.3	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.031	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-68.9	126.1	-174.8	-59.9	180	0	0	0	108.7	L96 H97 F98 N104 M202 L205 T206	L96-I100 HydrophobicContact CD1-CD1 4.26Å; L96-I100 HydrophobicContact CD1-CG1 4.19Å; L96-I100 HydrophobicContact CD1-CG2 3.99Å; L96-I100 HydrophobicContact CD2-CD1 3.93Å; L96-I100 HydrophobicContact CD2-CG1 4.32Å; L96-I100 HydrophobicContact CG-CD1 4.36Å; L96-I100 HydrophobicContact CG-CG1 4.25Å; H97-I100 WeakPolarHBondContact O-CA 3.17Å; F98-I100 HydrophobicContact CD1-CD1 4.36Å; F98-I100 HydrophobicContact CD1-CG1 3.77Å; F98-I100 HydrophobicContact CE1-CD1 3.8Å; F98-I100 HydrophobicContact CE1-CG1 3.68Å; I100-N104 HydrophobicContact CG2-CB 3.87Å; I100-M202 HydrophobicContact CD1-CE 3.95Å; I100-M202 HydrophobicContact CD1-SD 3.58Å; I100-M202 VanDerWaalsContact CD1-SD 3.58Å; I100-M202 HydrophobicContact CG2-CE 4.21Å; I100-L205 HydrophobicContact CD1-CB 3.56Å; I100-L205 HydrophobicContact CD1-CD1 4.42Å; I100-L205 HydrophobicContact CG1-CB 4.16Å; I100-L205 PolarHBondContact N-O 3.42Å; I100-T206 WeakPolarHBondContact CG2-OG1 3.48Å; I100-T206 WeakPolarHBondContact O-CG2 3.36Å
101	P	90.5	Very high	87.8	Confident	49 Å²	49	57.6 Å²	57.6	32%	0.318	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-64.4	144.8	173.7	-21.6	33.3	0	0	0	112.3	P99 E103 N104 F105	P99-P101 WeakPolarHBondContact O-CD 3.36Å; P101-E103 VanDerWaalsContact C-N 3.25Å; P101-E103 HydrophobicContact CB-CG 3.91Å; P101-E103 PolarHBondContact O-N 2.9Å; P101-N104 WeakPolarHBondContact CB-OD1 3.33Å; P101-N104 WeakPolarHBondContact CD-OD1 3.47Å; P101-N104 WeakPolarHBondContact CG-OD1 3.47Å; P101-N104 WeakPolarHBondContact O-CB 3.38Å; P101-N104 PolarHBondContact O-N 2.69Å; P101-F105 PolarHBondContact O-N 3.38Å
102	E	91.7	Very high	88.5	Confident	99 Å²	99	56.7 Å²	56.7	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-56.6	-36.4	178.9	167.3	161.5	152.1	0	0	113.2	N104 F105 L106 Y207	E102-N104 VanDerWaalsContact C-N 3.26Å; E102-N104 PolarHBondContact O-N 2.96Å; E102-F105 WeakPolarHBondContact O-CB 3.1Å; E102-F105 PolarHBondContact O-N 3.36Å; E102-L106 HydrophobicContact CG-CD1 4.12Å; E102-L106 HydrophobicContact CG-CG 4.49Å; E102-L106 PolarHBondContact O-N 2.85Å; E102-Y207 WeakPolarHBondContact CG-OH 3.44Å; E102-Y207 WeakPolarHBondContact OE2-CE1 3.46Å; E102-Y207 PolarHBondContact OE2-OH 2.71Å
103	E	90.8	Very high	88.9	Confident	136 Å²	136	58.3 Å²	58.3	64%	0.636	30%	0.304	S	S	*	.	H	α-helix	trans	-59.5	-35	176.2	61.3	-177.3	-178.7	0	0	113	P101 S107	P101-E103 VanDerWaalsContact C-N 3.25Å; P101-E103 HydrophobicContact CB-CG 3.91Å; P101-E103 PolarHBondContact O-N 2.9Å; E103-S107 WeakPolarHBondContact O-CB 3.24Å; E103-S107 PolarHBondContact O-N 2.99Å; E103-S107 PolarHBondContact O-OG 3.18Å
104	N	91.6	Very high	89.5	Confident	38 Å²	38	59.1 Å²	59.1	20%	0.203	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-38.8	175.2	-68.5	93	0	0	0	110.7	F89 L96 I100 P101 E102 S107 F108	F89-N104 HydrophobicContact CE2-CB 4.39Å; F89-N104 WeakPolarHBondContact CE2-O 3.41Å; L96-N104 HydrophobicContact CD1-CB 4.45Å; I100-N104 HydrophobicContact CG2-CB 3.87Å; P101-N104 WeakPolarHBondContact CB-OD1 3.33Å; P101-N104 WeakPolarHBondContact CD-OD1 3.47Å; P101-N104 WeakPolarHBondContact CG-OD1 3.47Å; P101-N104 WeakPolarHBondContact O-CB 3.38Å; P101-N104 PolarHBondContact O-N 2.69Å; E102-N104 VanDerWaalsContact C-N 3.26Å; E102-N104 PolarHBondContact O-N 2.96Å; N104-S107 PolarHBondContact O-N 3.04Å; N104-F108 VanDerWaalsContact O-CB 3.29Å; N104-F108 WeakPolarHBondContact O-CB 3.43Å; N104-F108 PolarHBondContact O-N 3.3Å
105	F	93.9	Very high	89.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-44.1	176.6	-175.7	-112.9	0	0	0	112.1	P101 E102 S107 F108 L109 F168 L173 L199 M202 A203 T206 Y207	P101-F105 PolarHBondContact O-N 3.38Å; E102-F105 WeakPolarHBondContact O-CB 3.1Å; E102-F105 PolarHBondContact O-N 3.36Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 2.96Å; F105-F108 CarbonylContact O-C 3.35Å; F105-F108 WeakPolarHBondContact O-CB 3.26Å; F105-F108 PolarHBondContact O-N 2.96Å; F105-F108 VanDerWaalsContact O-N 3.14Å; F105-L109 HydrophobicContact CD1-CD1 4.01Å; F105-L109 HydrophobicContact CD1-CG 4.38Å; F105-L109 HydrophobicContact CE1-CD1 3.69Å; F105-L109 HydrophobicContact CE1-CD2 4.35Å; F105-L109 HydrophobicContact CE1-CG 4.05Å; F105-L109 HydrophobicContact CZ-CD1 4.23Å; F105-L109 HydrophobicContact CZ-CD2 4.06Å; F105-L109 HydrophobicContact CZ-CG 4.12Å; F105-L109 WeakPolarHBondContact O-CG 3.46Å; F105-L109 PolarHBondContact O-N 3.4Å; F105-F168 HydrophobicContact CZ-CZ 4.44Å; F105-L173 HydrophobicContact CE1-CD2 4.13Å; F105-L199 HydrophobicContact CE2-CD1 4.03Å; F105-L199 HydrophobicContact CZ-CD1 4.06Å; F105-M202 HydrophobicContact CD2-CB 3.92Å; F105-M202 HydrophobicContact CE2-CB 3.98Å; F105-A203 HydrophobicContact CE2-CB 3.78Å; F105-A203 HydrophobicContact CZ-CB 3.65Å; F105-T206 HydrophobicContact CB-CG2 3.84Å; F105-T206 HydrophobicContact CG-CG2 4.37Å; F105-Y207 AromaticContact CD1-CE2 3.62Å; F105-Y207 HydrophobicContact CD1-CE2 3.62Å; F105-Y207 AromaticContact CE1-CE2 3.95Å; F105-Y207 HydrophobicContact CE1-CE2 3.95Å; F105-Y207 HydrophobicContact CG-CE2 4.23Å
106	L	93.2	Very high	90.2	Very high	77 Å²	77	56.8 Å²	56.8	40%	0.403	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-45.3	173.3	-80.5	168.6	0	0	0	112.4	E102 F108 L109 T110 L173	E102-L106 HydrophobicContact CG-CD1 4.12Å; E102-L106 HydrophobicContact CG-CG 4.49Å; E102-L106 PolarHBondContact O-N 2.85Å; L106-F108 VanDerWaalsContact C-N 3.3Å; L106-F108 PolarHBondContact O-N 2.93Å; L106-L109 PolarHBondContact O-N 3.23Å; L106-T110 PolarHBondContact O-N 3.37Å; L106-T110 PolarHBondContact O-OG1 3.31Å; L106-L173 HydrophobicContact CD2-CD1 3.46Å; L106-L173 VanDerWaalsContact CD2-CD1 3.46Å; L106-L173 HydrophobicContact CG-CD1 4.07Å
107	S	92.3	Very high	90.7	Very high	42 Å²	42	60.7 Å²	60.7	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-37.8	176.6	-59	0	0	0	0	111.2	E103 N104 F105 T110 W111	E103-S107 WeakPolarHBondContact O-CB 3.24Å; E103-S107 PolarHBondContact O-N 2.99Å; E103-S107 PolarHBondContact O-OG 3.18Å; N104-S107 PolarHBondContact O-N 3.04Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 2.96Å; S107-T110 PolarHBondContact O-N 3.02Å; S107-W111 WeakPolarHBondContact O-CB 3.44Å; S107-W111 PolarHBondContact O-N 3.42Å
108	F	94.2	Very high	91.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-41.3	175.6	-176.1	-109.9	0	0	0	112.9	F89 N104 F105 L106 T110 W111 I112 F122 M202	F89-F108 HydrophobicContact CD1-CD2 4.03Å; F89-F108 HydrophobicContact CD2-CB 4.13Å; F89-F108 HydrophobicContact CE1-CB 4.46Å; F89-F108 AromaticContact CE1-CD2 3.53Å; F89-F108 HydrophobicContact CE1-CD2 3.53Å; F89-F108 HydrophobicContact CE1-CE2 4.26Å; F89-F108 HydrophobicContact CE1-CG 4.45Å; F89-F108 HydrophobicContact CE2-CB 3.92Å; F89-F108 HydrophobicContact CE2-CD2 4.4Å; F89-F108 HydrophobicContact CG-CB 4.49Å; F89-F108 HydrophobicContact CZ-CB 4.1Å; F89-F108 AromaticContact CZ-CD2 3.74Å; F89-F108 HydrophobicContact CZ-CD2 3.74Å; F89-F108 HydrophobicContact CZ-CG 4.3Å; N104-F108 VanDerWaalsContact O-CB 3.29Å; N104-F108 WeakPolarHBondContact O-CB 3.43Å; N104-F108 PolarHBondContact O-N 3.3Å; F105-F108 CarbonylContact O-C 3.35Å; F105-F108 WeakPolarHBondContact O-CB 3.26Å; F105-F108 PolarHBondContact O-N 2.96Å; F105-F108 VanDerWaalsContact O-N 3.14Å; L106-F108 VanDerWaalsContact C-N 3.3Å; L106-F108 PolarHBondContact O-N 2.93Å; F108-T110 PolarHBondContact O-N 2.83Å; F108-W111 AromaticContact CD2-CE3 3.94Å; F108-W111 HydrophobicContact CD2-CE3 3.94Å; F108-W111 AromaticContact CE2-CE3 3.74Å; F108-W111 HydrophobicContact CE2-CE3 3.74Å; F108-W111 AromaticContact CE2-CZ3 3.92Å; F108-W111 HydrophobicContact CE2-CZ3 3.92Å; F108-W111 PolarHBondContact O-N 3.31Å; F108-W111 VanDerWaalsContact O-N 3.15Å; F108-I112 HydrophobicContact CE1-CD1 3.78Å; F108-I112 HydrophobicContact CZ-CB 4.38Å; F108-I112 HydrophobicContact CZ-CD1 3.65Å; F108-I112 HydrophobicContact CZ-CG1 4.25Å; F108-I112 WeakPolarHBondContact O-CB 3.47Å; F108-I112 WeakPolarHBondContact O-CG2 3.44Å; F108-I112 PolarHBondContact O-N 3.37Å; F108-F122 HydrophobicContact CD2-CE1 4.44Å; F108-F122 HydrophobicContact CD2-CZ 4.48Å; F108-F122 AromaticContact CE2-CE1 3.86Å; F108-F122 HydrophobicContact CE2-CE1 3.86Å; F108-F122 HydrophobicContact CE2-CZ 4.34Å; F108-F122 HydrophobicContact CZ-CE1 4.38Å; F108-M202 HydrophobicContact CB-CE 4.14Å; F108-M202 HydrophobicContact CD1-CB 3.92Å; F108-M202 HydrophobicContact CD1-CE 4.3Å; F108-M202 HydrophobicContact CD1-CG 3.79Å; F108-M202 HydrophobicContact CE1-CB 3.97Å; F108-M202 HydrophobicContact CE1-CG 3.63Å; F108-M202 HydrophobicContact CG-CE 4.08Å; F108-M202 HydrophobicContact CG-CG 4.36Å; F108-M202 HydrophobicContact CZ-CG 4.08Å
109	L	93.8	Very high	91.7	Very high	20 Å²	20	53 Å²	53	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-36.9	173.9	-76.4	171.1	0	0	0	112	F105 L106 Q113 L165 F168 L173 L199	F105-L109 HydrophobicContact CD1-CD1 4.01Å; F105-L109 HydrophobicContact CD1-CG 4.38Å; F105-L109 HydrophobicContact CE1-CD1 3.69Å; F105-L109 HydrophobicContact CE1-CD2 4.35Å; F105-L109 HydrophobicContact CE1-CG 4.05Å; F105-L109 HydrophobicContact CZ-CD1 4.23Å; F105-L109 HydrophobicContact CZ-CD2 4.06Å; F105-L109 HydrophobicContact CZ-CG 4.12Å; F105-L109 WeakPolarHBondContact O-CG 3.46Å; F105-L109 PolarHBondContact O-N 3.4Å; L106-L109 PolarHBondContact O-N 3.23Å; L109-Q113 PolarHBondContact O-NE2 3.16Å; L109-L165 HydrophobicContact CD2-CD2 3.74Å; L109-F168 HydrophobicContact CD2-CD2 4.42Å; L109-L173 HydrophobicContact CD1-CD2 3.69Å; L109-L199 HydrophobicContact CD2-CD1 3.45Å; L109-L199 VanDerWaalsContact CD2-CD1 3.45Å
110	T	91.9	Very high	92.1	Very high	47 Å²	47	49.4 Å²	49.4	29%	0.288	26%	0.261	S	S	.	.	H	α-helix	trans	-74.7	-46.1	175.5	-52.1	0	0	0	0	110.7	F85 L106 S107 F108 I112 Q113	F85-T110 HydrophobicContact CB-CG2 4Å; L106-T110 PolarHBondContact O-N 3.37Å; L106-T110 PolarHBondContact O-OG1 3.31Å; S107-T110 PolarHBondContact O-N 3.02Å; F108-T110 PolarHBondContact O-N 2.83Å; T110-I112 PolarHBondContact O-N 3.17Å; T110-Q113 PolarHBondContact O-N 3.37Å
111	W	93.3	Very high	92.4	Very high	13 Å²	13	54.7 Å²	54.7	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-40.7	-177.2	-179.8	93.2	0	0	0	113	F89 P91 S107 F108 Q113 S114 K116 I118	F89-W111 HydrophobicContact CB-CB 3.76Å; F89-W111 HydrophobicContact CB-CG 4.03Å; F89-W111 HydrophobicContact CD1-CB 4.09Å; F89-W111 HydrophobicContact CD1-CD2 4.04Å; F89-W111 HydrophobicContact CD1-CE3 4.47Å; F89-W111 AromaticContact CD1-CG 3.83Å; F89-W111 HydrophobicContact CD1-CG 3.83Å; F89-W111 HydrophobicContact CG-CB 4.19Å; F89-W111 HydrophobicContact CG-CG 4.33Å; P91-W111 HydrophobicContact CB-CZ2 4.26Å; P91-W111 HydrophobicContact CG-CZ2 3.95Å; S107-W111 WeakPolarHBondContact O-CB 3.44Å; S107-W111 PolarHBondContact O-N 3.42Å; F108-W111 AromaticContact CD2-CE3 3.94Å; F108-W111 HydrophobicContact CD2-CE3 3.94Å; F108-W111 AromaticContact CE2-CE3 3.74Å; F108-W111 HydrophobicContact CE2-CE3 3.74Å; F108-W111 AromaticContact CE2-CZ3 3.92Å; F108-W111 HydrophobicContact CE2-CZ3 3.92Å; F108-W111 PolarHBondContact O-N 3.31Å; F108-W111 VanDerWaalsContact O-N 3.15Å; W111-Q113 PolarHBondContact O-N 2.96Å; W111-S114 VanDerWaalsContact O-CB 3.28Å; W111-S114 WeakPolarHBondContact O-CB 3.33Å; W111-S114 PolarHBondContact O-N 2.88Å; W111-S114 PolarHBondContact O-OG 3.48Å; W111-K116 HydrophobicContact CH2-CB 4.38Å; W111-K116 HydrophobicContact CZ2-CB 4.07Å; W111-I118 HydrophobicContact CH2-CG1 4.18Å; W111-I118 HydrophobicContact CZ3-CG1 4.02Å
112	I	94.3	Very high	92.7	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-67.6	-17.7	-176.5	-155.4	174.5	0	0	0	112.9	F108 T110 S114 L161 L165 E195 L199	F108-I112 HydrophobicContact CE1-CD1 3.78Å; F108-I112 HydrophobicContact CZ-CB 4.38Å; F108-I112 HydrophobicContact CZ-CD1 3.65Å; F108-I112 HydrophobicContact CZ-CG1 4.25Å; F108-I112 WeakPolarHBondContact O-CB 3.47Å; F108-I112 WeakPolarHBondContact O-CG2 3.44Å; F108-I112 PolarHBondContact O-N 3.37Å; T110-I112 PolarHBondContact O-N 3.17Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.36Å; I112-L161 HydrophobicContact CD1-CD1 4.07Å; I112-L161 HydrophobicContact CG1-CD1 4.5Å; I112-L161 HydrophobicContact CG1-CD2 4.24Å; I112-L161 HydrophobicContact CG2-CD1 4.48Å; I112-L165 HydrophobicContact CG2-CD2 4.21Å; I112-E195 HydrophobicContact CD1-CB 3.91Å; I112-E195 VanDerWaalsContact CD1-O 3.26Å; I112-E195 WeakPolarHBondContact CD1-O 3.19Å; I112-E195 HydrophobicContact CG1-CB 4.16Å; I112-E195 HydrophobicContact CG1-CG 4.4Å; I112-L199 HydrophobicContact CD1-CB 4.04Å
113	Q	91	Very high	92.9	Very high	87 Å²	87	47.7 Å²	47.7	41%	0.407	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-77.8	-8.9	173.4	-67.9	175.8	70.3	0	0	113.4	L109 T110 W111 D115 L165	L109-Q113 PolarHBondContact O-NE2 3.16Å; T110-Q113 PolarHBondContact O-N 3.37Å; W111-Q113 PolarHBondContact O-N 2.96Å; Q113-D115 PolarHBondContact O-N 3.43Å; Q113-L165 HydrophobicContact CG-CD1 3.49Å; Q113-L165 VanDerWaalsContact CG-CD1 3.49Å
114	S	88.9	Confident	93.3	Very high	52 Å²	52	42.7 Å²	42.7	36%	0.364	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-79	2.5	-178.4	69.8	0	0	0	0	114.9	W111 I112 K116	W111-S114 VanDerWaalsContact O-CB 3.28Å; W111-S114 WeakPolarHBondContact O-CB 3.33Å; W111-S114 PolarHBondContact O-N 2.88Å; W111-S114 PolarHBondContact O-OG 3.48Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.36Å; S114-K116 PolarHBondContact O-N 3.15Å; S114-K116 WeakPolarHBondContact OG-CD 3.39Å; S114-K116 WeakPolarHBondContact OG-CG 3.29Å
115	D	83.5	Confident	93.5	Very high	71 Å²	71	42.7 Å²	42.7	38%	0.38	23%	0.231	S	C	.	.			trans	56.9	18.8	-178.7	-74.7	0.2	0	0	0	115.3	Q113 K192	Q113-D115 PolarHBondContact O-N 3.43Å; D115-K192 IonicContact OD1-NZ 3.48Å; D115-K192 PolarHBondContact OD1-NZ 2.88Å; D115-K192 IonicContact OD2-NZ 3.29Å; D115-K192 PolarHBondContact OD2-NZ 3.2Å
116	K	90	Very high	93.6	Very high	122 Å²	122	42.7 Å²	42.7	53%	0.53	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-75.3	139.6	170.7	-66.2	176.5	-173	171.9	0	110.3	W111 S114 I118	W111-K116 HydrophobicContact CH2-CB 4.38Å; W111-K116 HydrophobicContact CZ2-CB 4.07Å; S114-K116 PolarHBondContact O-N 3.15Å; S114-K116 WeakPolarHBondContact OG-CD 3.39Å; S114-K116 WeakPolarHBondContact OG-CG 3.29Å; K116-I118 PolarHBondContact O-N 3.35Å
117	I	93.4	Very high	93.9	Very high	95 Å²	95	39 Å²	39	49%	0.487	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-63.8	132.2	170.6	-60.2	175.4	0	0	0	108.8	K236 Y237	I117-K236 HydrophobicContact CG2-CB 4.28Å; I117-Y237 HydrophobicContact CG2-CD1 4.42Å; I117-Y237 HydrophobicContact CG2-CE1 3.6Å
118	I	95.2	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.1	125.2	177.6	-56.3	-176.7	0	0	0	109.4	W111 K116 T120 F122 F123 E195 S198 Y237	W111-I118 HydrophobicContact CH2-CG1 4.18Å; W111-I118 HydrophobicContact CZ3-CG1 4.02Å; K116-I118 PolarHBondContact O-N 3.35Å; I118-T120 PolarHBondContact O-N 2.97Å; I118-F122 HydrophobicContact CG2-CD1 3.69Å; I118-F122 HydrophobicContact CG2-CE1 4.48Å; I118-F123 HydrophobicContact CG2-CB 4.02Å; I118-E195 HydrophobicContact CD1-CB 4.46Å; I118-E195 HydrophobicContact CD1-CG 4.19Å; I118-E195 HydrophobicContact CG1-CG 4.46Å; I118-S198 WeakPolarHBondContact CD1-OG 3.48Å; I118-Y237 WeakPolarHBondContact O-CE1 3.2Å; I118-Y237 PolarHBondContact O-OH 3.16Å
119	P	95.5	Very high	94.3	Very high	48 Å²	48	43.9 Å²	43.9	31%	0.312	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-56.9	134.3	179.8	-27.3	36	0	0	0	112.3	P91 N121 F122 F123	P91-P119 HydrophobicContact CB-CG 3.84Å; P91-P119 HydrophobicContact CG-CG 3.7Å; P119-N121 PolarHBondContact O-N 2.93Å; P119-N121 VanDerWaalsContact O-N 3.14Å; P119-F122 HydrophobicContact CB-CB 4.29Å; P119-F122 WeakPolarHBondContact O-CB 3.47Å; P119-F122 PolarHBondContact O-N 2.72Å; P119-F123 PolarHBondContact O-N 2.75Å
120	T	96.3	Very high	94.6	Very high	31 Å²	31	43 Å²	43	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-52.2	-41.9	-175.9	-52.7	0	0	0	0	113	I118 F122 F123 T124 D240 L244	I118-T120 PolarHBondContact O-N 2.97Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-F122 PolarHBondContact O-N 2.77Å; T120-F123 PolarHBondContact O-N 3.47Å; T120-T124 VanDerWaalsContact O-CB 3.25Å; T120-T124 WeakPolarHBondContact O-CB 3.35Å; T120-T124 PolarHBondContact O-N 2.98Å; T120-T124 PolarHBondContact O-OG1 2.8Å; T120-D240 HydrophobicContact CG2-CB 3.65Å; T120-L244 HydrophobicContact CG2-CD1 4.42Å; T120-L244 HydrophobicContact CG2-CD2 4.47Å
121	N	95.8	Very high	94.9	Very high	117 Å²	117	41.7 Å²	41.7	63%	0.626	22%	0.218	S	C	*	.	H	α-helix	trans	-66.7	-38	-178.8	-62.3	-10.6	0	0	0	111.6	P93 P119 L125	P93-N121 HydrophobicContact CG-CB 3.74Å; P119-N121 PolarHBondContact O-N 2.93Å; P119-N121 VanDerWaalsContact O-N 3.14Å; N121-L125 WeakPolarHBondContact O-CB 3.36Å; N121-L125 PolarHBondContact O-N 3.05Å
122	F	95.6	Very high	95.1	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-47.3	175.2	-174.8	-96.3	0	0	0	111	F89 P91 L96 F108 I118 P119 T120 T124 L125 I126 M202	F89-F122 HydrophobicContact CE1-CE2 4.15Å; F89-F122 AromaticContact CE1-CZ 3.99Å; F89-F122 HydrophobicContact CE1-CZ 3.99Å; F89-F122 AromaticContact CZ-CE2 3.8Å; F89-F122 HydrophobicContact CZ-CE2 3.8Å; F89-F122 AromaticContact CZ-CZ 3.65Å; F89-F122 HydrophobicContact CZ-CZ 3.65Å; P91-F122 HydrophobicContact CB-CD2 4.37Å; P91-F122 HydrophobicContact CB-CG 4.32Å; P91-F122 WeakPolarHBondContact O-CB 3.45Å; L96-F122 HydrophobicContact CD2-CE2 3.87Å; L96-F122 HydrophobicContact CD2-CZ 4.37Å; F108-F122 HydrophobicContact CD2-CE1 4.44Å; F108-F122 HydrophobicContact CD2-CZ 4.48Å; F108-F122 AromaticContact CE2-CE1 3.86Å; F108-F122 HydrophobicContact CE2-CE1 3.86Å; F108-F122 HydrophobicContact CE2-CZ 4.34Å; F108-F122 HydrophobicContact CZ-CE1 4.38Å; I118-F122 HydrophobicContact CG2-CD1 3.69Å; I118-F122 HydrophobicContact CG2-CE1 4.48Å; P119-F122 HydrophobicContact CB-CB 4.29Å; P119-F122 WeakPolarHBondContact O-CB 3.47Å; P119-F122 PolarHBondContact O-N 2.72Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-F122 PolarHBondContact O-N 2.77Å; F122-T124 VanDerWaalsContact C-N 3.3Å; F122-T124 PolarHBondContact O-N 3.41Å; F122-L125 WeakPolarHBondContact O-CB 3.38Å; F122-L125 PolarHBondContact O-N 2.96Å; F122-L125 VanDerWaalsContact O-N 3.14Å; F122-I126 HydrophobicContact CD1-CD1 4.44Å; F122-I126 HydrophobicContact CD1-CG2 4.4Å; F122-I126 HydrophobicContact CE1-CD1 4.19Å; F122-I126 HydrophobicContact CE1-CG2 4Å; F122-I126 HydrophobicContact CZ-CG2 4.05Å; F122-I126 PolarHBondContact O-N 3.11Å; F122-M202 HydrophobicContact CE1-SD 4.28Å; F122-M202 HydrophobicContact CZ-CE 4.1Å; F122-M202 HydrophobicContact CZ-SD 3.7Å
123	F	97.2	Very high	95.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-42.6	178.1	-169.4	-153.8	0	0	0	111.4	I118 P119 T120 L125 I126 L127 A194 L197 S198 L233 Y237 L244	I118-F123 HydrophobicContact CG2-CB 4.02Å; P119-F123 PolarHBondContact O-N 2.75Å; T120-F123 PolarHBondContact O-N 3.47Å; F123-L125 PolarHBondContact O-N 3.26Å; F123-I126 HydrophobicContact CD2-CD1 3.97Å; F123-I126 HydrophobicContact CD2-CG1 4.04Å; F123-I126 WeakPolarHBondContact O-CG1 3.29Å; F123-I126 PolarHBondContact O-N 2.85Å; F123-L127 HydrophobicContact CD1-CD1 4.26Å; F123-L127 HydrophobicContact CD2-CD1 3.99Å; F123-L127 HydrophobicContact CD2-CD2 4.43Å; F123-L127 HydrophobicContact CD2-CG 3.9Å; F123-L127 HydrophobicContact CE1-CD1 4.15Å; F123-L127 HydrophobicContact CE2-CD1 3.89Å; F123-L127 HydrophobicContact CE2-CD2 3.82Å; F123-L127 HydrophobicContact CE2-CG 3.77Å; F123-L127 HydrophobicContact CG-CD1 4.18Å; F123-L127 HydrophobicContact CZ-CD1 3.97Å; F123-L127 HydrophobicContact CZ-CD2 4.22Å; F123-L127 HydrophobicContact CZ-CG 4.31Å; F123-L127 WeakPolarHBondContact O-CB 3.45Å; F123-L127 WeakPolarHBondContact O-CG 3.16Å; F123-L127 PolarHBondContact O-N 2.98Å; F123-A194 HydrophobicContact CE1-CB 4.26Å; F123-A194 HydrophobicContact CZ-CB 4.29Å; F123-L197 HydrophobicContact CE2-CD2 4.39Å; F123-L197 HydrophobicContact CZ-CD2 4.25Å; F123-S198 WeakPolarHBondContact CD2-OG 3.44Å; F123-S198 WeakPolarHBondContact CE2-OG 3.26Å; F123-L233 HydrophobicContact CE1-CD2 3.89Å; F123-Y237 HydrophobicContact CD1-CE2 4.09Å; F123-Y237 HydrophobicContact CE1-CE2 4.16Å; F123-L244 HydrophobicContact CD1-CD1 4.12Å; F123-L244 HydrophobicContact CD1-CD2 3.94Å; F123-L244 HydrophobicContact CE1-CD1 4.47Å; F123-L244 HydrophobicContact CE1-CD2 4.46Å
124	T	97.8	Very high	95.6	Very high	30 Å²	30	43.6 Å²	43.6	18%	0.184	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-43.4	174.2	-63.6	0	0	0	0	112.2	T120 F122 N128 L247	T120-T124 VanDerWaalsContact O-CB 3.25Å; T120-T124 WeakPolarHBondContact O-CB 3.35Å; T120-T124 PolarHBondContact O-N 2.98Å; T120-T124 PolarHBondContact O-OG1 2.8Å; F122-T124 VanDerWaalsContact C-N 3.3Å; F122-T124 PolarHBondContact O-N 3.41Å; T124-N128 WeakPolarHBondContact O-CB 3.39Å; T124-N128 PolarHBondContact O-N 3.38Å; T124-N128 VanDerWaalsContact O-N 3.11Å; T124-N128 PolarHBondContact O-ND2 3.35Å; T124-L247 HydrophobicContact CG2-CD1 3.77Å
125	L	96.9	Very high	96	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-50.9	178.3	174.2	64.6	0	0	0	111.3	P93 L96 F98 N121 F122 F123 L127 N128 K129	P93-L125 HydrophobicContact CB-CD2 3.82Å; L96-L125 HydrophobicContact CB-CD2 4.34Å; L96-L125 HydrophobicContact CD2-CD2 4.07Å; F98-L125 HydrophobicContact CE2-CD1 4.08Å; F98-L125 HydrophobicContact CE2-CD2 4.03Å; F98-L125 HydrophobicContact CE2-CG 4.21Å; F98-L125 HydrophobicContact CZ-CD1 4.34Å; F98-L125 HydrophobicContact CZ-CD2 4.14Å; F98-L125 HydrophobicContact CZ-CG 4.1Å; N121-L125 WeakPolarHBondContact O-CB 3.36Å; N121-L125 PolarHBondContact O-N 3.05Å; F122-L125 WeakPolarHBondContact O-CB 3.38Å; F122-L125 PolarHBondContact O-N 2.96Å; F122-L125 VanDerWaalsContact O-N 3.14Å; F123-L125 PolarHBondContact O-N 3.26Å; L125-L127 PolarHBondContact O-N 2.9Å; L125-N128 PolarHBondContact O-N 2.97Å; L125-K129 HydrophobicContact CD1-CG 4.04Å; L125-K129 WeakPolarHBondContact O-CB 3.27Å; L125-K129 WeakPolarHBondContact O-CG 3.38Å; L125-K129 PolarHBondContact O-N 3.35Å
126	I	96.6	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-37.3	-177.1	66.4	177.4	0	0	0	111.9	L96 F122 F123 K129 A130 L201 M202 L205	L96-I126 HydrophobicContact CD2-CG2 4.45Å; F122-I126 HydrophobicContact CD1-CD1 4.44Å; F122-I126 HydrophobicContact CD1-CG2 4.4Å; F122-I126 HydrophobicContact CE1-CD1 4.19Å; F122-I126 HydrophobicContact CE1-CG2 4Å; F122-I126 HydrophobicContact CZ-CG2 4.05Å; F122-I126 PolarHBondContact O-N 3.11Å; F123-I126 HydrophobicContact CD2-CD1 3.97Å; F123-I126 HydrophobicContact CD2-CG1 4.04Å; F123-I126 WeakPolarHBondContact O-CG1 3.29Å; F123-I126 PolarHBondContact O-N 2.85Å; I126-K129 PolarHBondContact O-N 3.39Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 2.68Å; I126-L201 HydrophobicContact CG1-CD1 4.5Å; I126-M202 HydrophobicContact CG2-SD 3.86Å; I126-L205 HydrophobicContact CB-CD1 4.36Å
127	L	98.5	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-48	174.4	-73.3	171.6	0	0	0	111.2	F123 L125 T131 L197 L201 L244 L247 L251	F123-L127 HydrophobicContact CD1-CD1 4.26Å; F123-L127 HydrophobicContact CD2-CD1 3.99Å; F123-L127 HydrophobicContact CD2-CD2 4.43Å; F123-L127 HydrophobicContact CD2-CG 3.9Å; F123-L127 HydrophobicContact CE1-CD1 4.15Å; F123-L127 HydrophobicContact CE2-CD1 3.89Å; F123-L127 HydrophobicContact CE2-CD2 3.82Å; F123-L127 HydrophobicContact CE2-CG 3.77Å; F123-L127 HydrophobicContact CG-CD1 4.18Å; F123-L127 HydrophobicContact CZ-CD1 3.97Å; F123-L127 HydrophobicContact CZ-CD2 4.22Å; F123-L127 HydrophobicContact CZ-CG 4.31Å; F123-L127 WeakPolarHBondContact O-CB 3.45Å; F123-L127 WeakPolarHBondContact O-CG 3.16Å; F123-L127 PolarHBondContact O-N 2.98Å; L125-L127 PolarHBondContact O-N 2.9Å; L127-T131 WeakPolarHBondContact O-CB 3.48Å; L127-T131 PolarHBondContact O-N 3.4Å; L127-T131 PolarHBondContact O-OG1 2.74Å; L127-L197 HydrophobicContact CD2-CD2 4.13Å; L127-L201 HydrophobicContact CD2-CD1 3.88Å; L127-L244 HydrophobicContact CD1-CD2 4.1Å; L127-L247 HydrophobicContact CB-CB 4.3Å; L127-L247 HydrophobicContact CD1-CB 3.89Å; L127-L247 HydrophobicContact CD1-CD1 4.43Å; L127-L251 HydrophobicContact CD2-CD2 3.62Å
128	N	98.1	Very high	97.2	Very high	76 Å²	76	42.6 Å²	42.6	41%	0.406	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-45.3	179.3	-78.1	-51.1	0	0	0	112	T124 L125 T131 E132 L247	T124-N128 WeakPolarHBondContact O-CB 3.39Å; T124-N128 PolarHBondContact O-N 3.38Å; T124-N128 VanDerWaalsContact O-N 3.11Å; T124-N128 PolarHBondContact O-ND2 3.35Å; L125-N128 PolarHBondContact O-N 2.97Å; N128-T131 PolarHBondContact O-N 3.1Å; N128-E132 WeakPolarHBondContact O-CB 3.26Å; N128-E132 PolarHBondContact O-N 3.23Å; N128-L247 WeakPolarHBondContact OD1-CD2 3.12Å
129	K	97.7	Very high	97.4	Very high	69 Å²	69	43 Å²	43	30%	0.3	23%	0.228	S	C	.	.	H	α-helix	trans	-67.3	-40.6	-179	-76	-77.4	163.7	-154.1	0	112.6	F98 L125 I126 E132 F133 L205	F98-K129 HydrophobicContact CD1-CD 4.29Å; F98-K129 HydrophobicContact CD1-CG 4.44Å; F98-K129 HydrophobicContact CD2-CD 4.2Å; F98-K129 HydrophobicContact CD2-CG 4.46Å; F98-K129 HydrophobicContact CE1-CB 3.97Å; F98-K129 HydrophobicContact CE1-CD 4.24Å; F98-K129 HydrophobicContact CE1-CG 3.89Å; F98-K129 HydrophobicContact CE2-CD 4.15Å; F98-K129 HydrophobicContact CE2-CG 3.92Å; F98-K129 HydrophobicContact CG-CD 4.28Å; F98-K129 HydrophobicContact CZ-CB 4.08Å; F98-K129 HydrophobicContact CZ-CD 4.17Å; F98-K129 HydrophobicContact CZ-CG 3.61Å; L125-K129 HydrophobicContact CD1-CG 4.04Å; L125-K129 WeakPolarHBondContact O-CB 3.27Å; L125-K129 WeakPolarHBondContact O-CG 3.38Å; L125-K129 PolarHBondContact O-N 3.35Å; I126-K129 PolarHBondContact O-N 3.39Å; K129-E132 IonicContact NZ-OE2 2.81Å; K129-E132 PolarHBondContact NZ-OE2 3.42Å; K129-E132 PolarHBondContact O-N 3.16Å; K129-F133 PolarHBondContact O-N 3.27Å; K129-L205 HydrophobicContact CB-CD1 3.99Å; K129-L205 HydrophobicContact CB-CD2 4.12Å
130	A	98.2	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-42	173.1	0	0	0	0	0	112	I126 E132 F133 F134 L201 L205 L251	I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 2.68Å; A130-E132 VanDerWaalsContact C-N 3.33Å; A130-E132 PolarHBondContact O-N 2.94Å; A130-F133 WeakPolarHBondContact O-CB 3.31Å; A130-F133 PolarHBondContact O-N 3.44Å; A130-F134 HydrophobicContact CB-CD2 4.29Å; A130-F134 HydrophobicContact CB-CE2 4.3Å; A130-F134 WeakPolarHBondContact O-CB 3.32Å; A130-F134 WeakPolarHBondContact O-CD2 3.45Å; A130-F134 PolarHBondContact O-N 3.34Å; A130-L201 HydrophobicContact CB-CB 4.32Å; A130-L201 HydrophobicContact CB-CD1 3.97Å; A130-L201 HydrophobicContact CB-CD2 3.56Å; A130-L201 HydrophobicContact CB-CG 4.13Å; A130-L205 HydrophobicContact CB-CD1 4.36Å; A130-L251 HydrophobicContact CB-CD1 3.84Å
131	T	98.5	Very high	97.6	Very high	20 Å²	20	39.9 Å²	39.9	12%	0.123	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-43.4	176.2	-57.1	0	0	0	0	111.1	L127 N128 F133 S135 K250 L251	L127-T131 WeakPolarHBondContact O-CB 3.48Å; L127-T131 PolarHBondContact O-N 3.4Å; L127-T131 PolarHBondContact O-OG1 2.74Å; N128-T131 PolarHBondContact O-N 3.1Å; T131-F133 PolarHBondContact O-N 2.88Å; T131-S135 VanDerWaalsContact O-CB 3.25Å; T131-S135 WeakPolarHBondContact O-CB 3.45Å; T131-S135 PolarHBondContact O-N 2.95Å; T131-S135 PolarHBondContact O-OG 3.48Å; T131-K250 HydrophobicContact CG2-CB 4.2Å; T131-L251 WeakPolarHBondContact OG1-CA 3.22Å
132	E	98.1	Very high	97.6	Very high	98 Å²	98	39 Å²	39	46%	0.458	20%	0.2	S	C	.	.	H	α-helix	trans	-57.9	-47.3	174.5	-177	-176.4	179	0	0	111.3	N128 K129 A130	N128-E132 WeakPolarHBondContact O-CB 3.26Å; N128-E132 PolarHBondContact O-N 3.23Å; K129-E132 IonicContact NZ-OE2 2.81Å; K129-E132 PolarHBondContact NZ-OE2 3.42Å; K129-E132 PolarHBondContact O-N 3.16Å; A130-E132 VanDerWaalsContact C-N 3.33Å; A130-E132 PolarHBondContact O-N 2.94Å
133	F	98.1	Very high	97.6	Very high	44 Å²	44	39.1 Å²	39.1	19%	0.193	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-53.7	177.8	172.6	-98.4	0	0	0	112.4	K129 A130 T131 S135 Q136 Q137 V204 L205 P208	K129-F133 PolarHBondContact O-N 3.27Å; A130-F133 WeakPolarHBondContact O-CB 3.31Å; A130-F133 PolarHBondContact O-N 3.44Å; T131-F133 PolarHBondContact O-N 2.88Å; F133-S135 VanDerWaalsContact C-N 3.26Å; F133-S135 PolarHBondContact O-N 2.93Å; F133-Q136 PolarHBondContact O-N 2.76Å; F133-Q136 VanDerWaalsContact O-N 3.16Å; F133-Q137 HydrophobicContact CD1-CG 4.46Å; F133-Q137 HydrophobicContact CE1-CG 4.07Å; F133-Q137 HydrophobicContact CZ-CG 4.36Å; F133-V204 HydrophobicContact CD1-CG1 3.62Å; F133-V204 HydrophobicContact CE1-CG1 3.45Å; F133-V204 VanDerWaalsContact CE1-CG1 3.45Å; F133-V204 HydrophobicContact CG-CG1 4.5Å; F133-V204 HydrophobicContact CZ-CG1 4.22Å; F133-L205 HydrophobicContact CB-CD2 4.47Å; F133-P208 HydrophobicContact CD2-CB 4.33Å; F133-P208 HydrophobicContact CE2-CB 3.5Å; F133-P208 HydrophobicContact CZ-CB 3.81Å
134	F	98.4	Very high	97.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-27.2	-177.3	-75.2	-57.4	0	0	0	112.7	A130 Q136 Q137 L201 V204 L213 L251 S254 L255 P256 R286	A130-F134 HydrophobicContact CB-CD2 4.29Å; A130-F134 HydrophobicContact CB-CE2 4.3Å; A130-F134 WeakPolarHBondContact O-CB 3.32Å; A130-F134 WeakPolarHBondContact O-CD2 3.45Å; A130-F134 PolarHBondContact O-N 3.34Å; F134-Q136 PolarHBondContact O-N 3.24Å; F134-Q136 VanDerWaalsContact O-N 3.12Å; F134-Q137 HydrophobicContact CD1-CG 4.16Å; F134-Q137 WeakPolarHBondContact O-CB 3.38Å; F134-Q137 PolarHBondContact O-N 3.31Å; F134-L201 HydrophobicContact CE2-CD2 4.11Å; F134-V204 HydrophobicContact CE1-CG1 4.33Å; F134-V204 HydrophobicContact CE2-CG1 4.26Å; F134-V204 HydrophobicContact CZ-CB 4.37Å; F134-V204 HydrophobicContact CZ-CG1 3.76Å; F134-V204 HydrophobicContact CZ-CG2 3.94Å; F134-L213 HydrophobicContact CE1-CB 4.33Å; F134-L213 HydrophobicContact CE2-CD1 4.06Å; F134-L213 HydrophobicContact CZ-CB 3.89Å; F134-L213 HydrophobicContact CZ-CD1 3.75Å; F134-L213 HydrophobicContact CZ-CG 3.85Å; F134-L251 HydrophobicContact CD2-CD1 3.92Å; F134-L251 HydrophobicContact CE2-CD1 4.38Å; F134-S254 WeakPolarHBondContact CB-OG 3.36Å; F134-L255 HydrophobicContact CD1-CD2 4.37Å; F134-L255 HydrophobicContact CD2-CD2 3.85Å; F134-L255 HydrophobicContact CE1-CD2 4.29Å; F134-L255 HydrophobicContact CE2-CD2 3.75Å; F134-L255 HydrophobicContact CG-CD2 4.18Å; F134-L255 HydrophobicContact CZ-CD2 3.98Å; F134-P256 HydrophobicContact CD1-CG 4.38Å; F134-R286 PolarHBondContact O-NH2 2.93Å
135	S	97.4	Very high	96.9	Very high	51 Å²	51	42.4 Å²	42.4	36%	0.357	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.1	175.5	-64.2	0	0	0	0	113.4	T131 F133	T131-S135 VanDerWaalsContact O-CB 3.25Å; T131-S135 WeakPolarHBondContact O-CB 3.45Å; T131-S135 PolarHBondContact O-N 2.95Å; T131-S135 PolarHBondContact O-OG 3.48Å; F133-S135 VanDerWaalsContact C-N 3.26Å; F133-S135 PolarHBondContact O-N 2.93Å
136	Q	96.8	Very high	96.3	Very high	145 Å²	145	46.6 Å²	46.6	68%	0.678	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.9	178.1	-57.9	174.9	17.6	0	0	112.8	F133 F134	F133-Q136 PolarHBondContact O-N 2.76Å; F133-Q136 VanDerWaalsContact O-N 3.16Å; F134-Q136 PolarHBondContact O-N 3.24Å; F134-Q136 VanDerWaalsContact O-N 3.12Å
137	Q	97.3	Very high	95.5	Very high	54 Å²	54	51.5 Å²	51.5	25%	0.252	26%	0.259	S	S	.	.	S	Bend	trans	-82.2	149.8	-178.1	-60	-53.5	-49.5	0	0	111.8	F133 F134 P256 R286	F133-Q137 HydrophobicContact CD1-CG 4.46Å; F133-Q137 HydrophobicContact CE1-CG 4.07Å; F133-Q137 HydrophobicContact CZ-CG 4.36Å; F134-Q137 HydrophobicContact CD1-CG 4.16Å; F134-Q137 WeakPolarHBondContact O-CB 3.38Å; F134-Q137 PolarHBondContact O-N 3.31Å; Q137-P256 HydrophobicContact CB-CG 4.18Å; Q137-R286 PolarHBondContact O-NH1 2.85Å; Q137-R286 PolarHBondContact O-NH2 3.41Å
138	P	97.6	Very high	94.7	Very high	69 Å²	69	57 Å²	57	45%	0.448	28%	0.284	S	S	.	.			trans	-66.3	164.5	172.8	30.7	-36.4	0	0	0	111.3	L140	P138-L140 VanDerWaalsContact C-N 3.31Å; P138-L140 WeakPolarHBondContact CG-O 3.41Å
139	N	98	Very high	94.3	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.043	27%	0.269	C	S	.	.	S	Bend	trans	-63.7	-39.5	173.6	-69.2	-23	0	0	0	111.7	P256 I257 L281 L284 R286	N139-P256 CarbonylContact O-C 3.59Å; N139-I257 HydrophobicContact CB-CD1 4.03Å; N139-I257 HydrophobicContact CB-CG1 4.09Å; N139-I257 WeakPolarHBondContact O-CG1 3.31Å; N139-I257 PolarHBondContact O-N 3.48Å; N139-L281 WeakPolarHBondContact CB-O 3.41Å; N139-L281 PolarHBondContact ND2-O 3.06Å; N139-L284 PolarHBondContact ND2-O 2.92Å; N139-R286 VanDerWaalsContact OD1-CD 3.26Å; N139-R286 WeakPolarHBondContact OD1-CD 3.24Å; N139-R286 WeakPolarHBondContact OD1-CG 3.28Å; N139-R286 PolarHBondContact OD1-NH1 3.24Å
140	L	98.3	Very high	93.9	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.9	176.9	-60	-177.9	0	0	0	109.3	P138 I257 G258 I260 F266 L278 L281 K282	P138-L140 VanDerWaalsContact C-N 3.31Å; P138-L140 WeakPolarHBondContact CG-O 3.41Å; L140-I257 HydrophobicContact CD2-CG1 3.89Å; L140-G258 WeakPolarHBondContact CA-O 3.32Å; L140-I260 HydrophobicContact CB-CD1 4.39Å; L140-I260 HydrophobicContact CD1-CD1 4.08Å; L140-F266 HydrophobicContact CD2-CE2 4.25Å; L140-L278 HydrophobicContact CD1-CB 4.41Å; L140-L278 HydrophobicContact CD1-CD2 4.03Å; L140-L281 HydrophobicContact CD1-CB 4.24Å; L140-K282 HydrophobicContact CD1-CG 3.93Å; L140-K282 HydrophobicContact CG-CG 4.37Å
141	T	97.8	Very high	93.8	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.8	178.7	-55.2	0	0	0	0	110	I143 F212 G258 A259 I260	T141-I143 HydrophobicContact CG2-CG1 4Å; T141-F212 HydrophobicContact CG2-CD1 3.57Å; T141-F212 HydrophobicContact CG2-CE1 3.83Å; T141-F212 HydrophobicContact CG2-CG 4.23Å; T141-G258 PolarHBondContact N-O 3.36Å; T141-A259 CarbonylContact O-C 3.57Å; T141-A259 WeakPolarHBondContact O-CA 3.24Å; T141-I260 PolarHBondContact O-N 2.79Å
142	E	96.8	Very high	93.8	Very high	99 Å²	99	52.6 Å²	52.6	46%	0.463	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.7	176	-63.7	-170.4	177.3	0	0	110	K282	E142-K282 IonicContact OE1-NZ 2.68Å; E142-K282 PolarHBondContact OE1-NZ 3.05Å
143	I	95.1	Very high	93.8	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.1	-175.8	-55.5	173.1	0	0	0	108.4	T141 L145 L151 V181 F212 A259 I260 V261 N262	T141-I143 HydrophobicContact CG2-CG1 4Å; I143-L145 HydrophobicContact CG2-CD2 3.97Å; I143-L151 HydrophobicContact CD1-CD1 4.42Å; I143-L151 HydrophobicContact CD1-CD2 4.36Å; I143-L151 HydrophobicContact CG2-CD1 4.46Å; I143-L151 HydrophobicContact CG2-CD2 4.35Å; I143-V181 HydrophobicContact CD1-CG2 3.49Å; I143-V181 VanDerWaalsContact CD1-CG2 3.49Å; I143-F212 HydrophobicContact CD1-CD2 3.49Å; I143-F212 VanDerWaalsContact CD1-CD2 3.49Å; I143-F212 HydrophobicContact CD1-CE2 3.75Å; I143-F212 HydrophobicContact CD1-CG 4Å; I143-F212 HydrophobicContact CD1-CZ 4.42Å; I143-F212 HydrophobicContact CG1-CD2 4.1Å; I143-F212 HydrophobicContact CG1-CE2 3.91Å; I143-F212 HydrophobicContact CG1-CZ 4.13Å; I143-F212 HydrophobicContact CG2-CE2 4.24Å; I143-A259 HydrophobicContact CD1-CB 4.05Å; I143-I260 PolarHBondContact N-O 3.29Å; I143-V261 HydrophobicContact CB-CG2 4.39Å; I143-V261 CarbonylContact O-C 3.6Å; I143-V261 WeakPolarHBondContact O-CA 3.44Å; I143-N262 PolarHBondContact O-N 2.64Å; I143-N262 PolarHBondContact O-OD1 3.39Å
144	Q	91.6	Very high	93.8	Very high	93 Å²	93	45.8 Å²	45.8	44%	0.435	23%	0.23	S	C	.	.			trans	-102.6	117.9	175.8	-59.7	-59.8	-26.7	0	0	110.2	R179	Q144-R179 PolarHBondContact O-NH1 2.84Å
145	L	89	Confident	93.8	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	23%	0.229	C	C	.	.			trans	-98	147.2	173.5	-53.2	179.9	0	0	0	110.4	I143 H149 L151 V261 N262 V395 L429	I143-L145 HydrophobicContact CG2-CD2 3.97Å; L145-H149 HydrophobicContact CB-CB 4.07Å; L145-H149 HydrophobicContact CD2-CB 3.94Å; L145-L151 HydrophobicContact CD1-CB 3.81Å; L145-L151 HydrophobicContact CD1-CD2 4.34Å; L145-L151 HydrophobicContact CD2-CB 3.95Å; L145-V261 HydrophobicContact CD1-CG1 3.56Å; L145-V261 HydrophobicContact CG-CG1 3.82Å; L145-N262 VanDerWaalsContact CB-OD1 3.25Å; L145-N262 WeakPolarHBondContact CB-OD1 3.33Å; L145-N262 WeakPolarHBondContact CG-OD1 3.12Å; L145-N262 PolarHBondContact N-OD1 3.35Å; L145-N262 PolarHBondContact O-ND2 3.41Å; L145-V395 HydrophobicContact CD1-CB 4.25Å; L145-V395 HydrophobicContact CD1-CG1 3.82Å; L145-L429 WeakPolarHBondContact O-CD2 3.27Å
146	E	85.3	Confident	93.9	Very high	127 Å²	127	43.2 Å²	43.2	59%	0.593	21%	0.213	S	C	*	.			trans	-120.6	176.4	176.7	-61.2	172.9	-154.6	0	0	107.3	E148 H149	E146-E148 PolarHBondContact O-N 2.92Å; E146-E148 VanDerWaalsContact O-N 3.14Å; E146-H149 WeakPolarHBondContact CB-ND1 3.42Å; E146-H149 VanDerWaalsContact CD-CE1 3.45Å; E146-H149 VanDerWaalsContact CG-CE1 3.5Å; E146-H149 WeakPolarHBondContact CG-CE1 3.4Å; E146-H149 PolarHBondContact N-ND1 3.01Å; E146-H149 WeakPolarHBondContact O-CB 3.45Å; E146-H149 PolarHBondContact O-N 3.44Å; E146-H149 IonicContact OE1-CE1 3.84Å; E146-H149 IonicContact OE2-CE1 2.78Å
147	D	78.1	Confident	94	Very high	103 Å²	103	36.3 Å²	36.3	55%	0.551	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.6	-173.6	-74.6	-42.6	0	0	0	114.2	G398 L429	D147-G398 VanDerWaalsContact OD1-CA 3.29Å; D147-G398 WeakPolarHBondContact OD1-CA 3.32Å; D147-L429 WeakPolarHBondContact OD1-CD1 3.38Å
148	E	82.7	Confident	94	Very high	114 Å²	114	34 Å²	34	53%	0.533	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.4	179.2	-59.5	-171.9	178.5	0	0	113.9	E146 R177	E146-E148 PolarHBondContact O-N 2.92Å; E146-E148 VanDerWaalsContact O-N 3.14Å; E148-R177 HydrophobicContact CB-CG 4.49Å; E148-R177 IonicContact OE1-NH2 3.97Å; E148-R177 IonicContact OE2-CZ 3.13Å; E148-R177 IonicContact OE2-NE 3.78Å; E148-R177 PolarHBondContact OE2-NE 2.81Å; E148-R177 IonicContact OE2-NH2 3.49Å; E148-R177 PolarHBondContact OE2-NH2 2.8Å
149	H	89.8	Confident	93.9	Very high	18 Å²	18	31 Å²	31	8%	0.083	15%	0.151	C	C	.	.			trans	-87.4	141.9	-176	-63	150.8	0	0	0	111.9	L145 E146 S176 R177 R179 G397	L145-H149 HydrophobicContact CB-CB 4.07Å; L145-H149 HydrophobicContact CD2-CB 3.94Å; E146-H149 WeakPolarHBondContact CB-ND1 3.42Å; E146-H149 VanDerWaalsContact CD-CE1 3.45Å; E146-H149 VanDerWaalsContact CG-CE1 3.5Å; E146-H149 WeakPolarHBondContact CG-CE1 3.4Å; E146-H149 PolarHBondContact N-ND1 3.01Å; E146-H149 WeakPolarHBondContact O-CB 3.45Å; E146-H149 PolarHBondContact O-N 3.44Å; E146-H149 IonicContact OE1-CE1 3.84Å; E146-H149 IonicContact OE2-CE1 2.78Å; H149-S176 PolarHBondContact CD2-O 2.93Å; H149-S176 PolarHBondContact NE2-O 2.96Å; H149-R177 WeakPolarHBondContact CA-O 3.48Å; H149-R179 PolarHBondContact CE1-NH2 2.86Å; H149-R179 PolarHBondContact ND1-NH2 2.76Å; H149-R179 PolarHBondContact NE2-NH2 3.48Å; H149-R179 VanDerWaalsContact NE2-NH2 3.19Å; H149-G397 PolarHBondContact O-N 3.44Å
150	H	89.1	Confident	93.7	Very high	50 Å²	50	32.1 Å²	32.1	23%	0.231	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.4	170.1	-43.5	-60.4	0	0	0	108.5	R177 R179 V395 T396 I403	H150-R177 PolarHBondContact N-O 2.92Å; H150-R177 VanDerWaalsContact O-O 3.14Å; H150-R179 PolarHBondContact O-N 2.77Å; H150-V395 CarbonylContact C-O 3.49Å; H150-V395 WeakPolarHBondContact CA-O 3.31Å; H150-T396 HydrophobicContact CB-CG2 4.42Å; H150-I403 WeakPolarHBondContact CE1-CD1 3.36Å; H150-I403 VanDerWaalsContact ND1-CD1 3.32Å; H150-I403 WeakPolarHBondContact ND1-CD1 3.45Å
151	L	96.4	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.9	175.6	178.1	70.7	0	0	0	109.4	I143 L145 I153 R179 V181 V261 C394 V395	I143-L151 HydrophobicContact CD1-CD1 4.42Å; I143-L151 HydrophobicContact CD1-CD2 4.36Å; I143-L151 HydrophobicContact CG2-CD1 4.46Å; I143-L151 HydrophobicContact CG2-CD2 4.35Å; L145-L151 HydrophobicContact CD1-CB 3.81Å; L145-L151 HydrophobicContact CD1-CD2 4.34Å; L145-L151 HydrophobicContact CD2-CB 3.95Å; L151-I153 HydrophobicContact CD2-CD1 4.44Å; L151-I153 HydrophobicContact CD2-CG1 4.33Å; L151-I153 HydrophobicContact CG-CG1 4.21Å; L151-R179 CarbonylContact C-O 3.55Å; L151-R179 WeakPolarHBondContact CA-O 3.41Å; L151-R179 HydrophobicContact CD1-CB 3.75Å; L151-V181 HydrophobicContact CD1-CG2 3.95Å; L151-V181 HydrophobicContact CD2-CG2 4.42Å; L151-V261 HydrophobicContact CD2-CB 4.41Å; L151-V261 HydrophobicContact CD2-CG1 3.96Å; L151-V261 HydrophobicContact CD2-CG2 3.51Å; L151-C394 CarbonylContact O-C 3.47Å; L151-C394 WeakPolarHBondContact O-CA 3.45Å; L151-V395 HydrophobicContact CB-CB 4.2Å; L151-V395 PolarHBondContact N-O 3.27Å; L151-V395 PolarHBondContact O-N 3.41Å
152	I	97.5	Very high	93.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.2	174.4	-51.8	-54.5	0	0	0	108.6	V167 T171 R179 F180 V181 Y392 A393 C394	I152-V167 HydrophobicContact CG2-CG1 4.11Å; I152-T171 HydrophobicContact CD1-CG2 3.87Å; I152-T171 HydrophobicContact CG1-CG2 4.07Å; I152-T171 HydrophobicContact CG2-CG2 4.12Å; I152-R179 PolarHBondContact N-O 2.87Å; I152-F180 HydrophobicContact CB-CD1 3.67Å; I152-F180 HydrophobicContact CB-CE1 3.69Å; I152-F180 HydrophobicContact CB-CG 4.32Å; I152-F180 HydrophobicContact CB-CZ 4.35Å; I152-F180 HydrophobicContact CG1-CD1 4.25Å; I152-F180 HydrophobicContact CG1-CE1 3.82Å; I152-F180 HydrophobicContact CG1-CZ 4.02Å; I152-F180 HydrophobicContact CG2-CD1 3.92Å; I152-F180 HydrophobicContact CG2-CE1 3.83Å; I152-F180 CarbonylContact O-C 3.41Å; I152-F180 VanDerWaalsContact O-CA 3.29Å; I152-F180 WeakPolarHBondContact O-CA 3.46Å; I152-V181 PolarHBondContact O-N 3.11Å; I152-Y392 HydrophobicContact CD1-CD2 4.43Å; I152-Y392 HydrophobicContact CD1-CE2 4.33Å; I152-Y392 HydrophobicContact CG2-CD2 3.85Å; I152-Y392 HydrophobicContact CG2-CG 4.25Å; I152-A393 CarbonylContact C-O 3.57Å; I152-A393 WeakPolarHBondContact CA-O 3.2Å; I152-C394 HydrophobicContact CD1-CB 3.99Å
153	I	98.5	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.2	177.6	-53.8	167.8	0	0	0	107.9	L151 V181 I267 I355 Y392 A393 V395	L151-I153 HydrophobicContact CD2-CD1 4.44Å; L151-I153 HydrophobicContact CD2-CG1 4.33Å; L151-I153 HydrophobicContact CG-CG1 4.21Å; I153-V181 CarbonylContact C-O 3.48Å; I153-V181 WeakPolarHBondContact CA-O 3.26Å; I153-V181 HydrophobicContact CG1-CB 4.38Å; I153-V181 HydrophobicContact CG2-CB 4.48Å; I153-V181 HydrophobicContact CG2-CG1 4.41Å; I153-I267 HydrophobicContact CD1-CD1 3.55Å; I153-I267 HydrophobicContact CD1-CG1 4.37Å; I153-I267 HydrophobicContact CG1-CD1 4.05Å; I153-I267 HydrophobicContact CG2-CG2 4.47Å; I153-I355 HydrophobicContact CD1-CD1 3.53Å; I153-I355 HydrophobicContact CD1-CG2 4.25Å; I153-I355 HydrophobicContact CG2-CG2 4.12Å; I153-Y392 WeakPolarHBondContact O-CA 2.99Å; I153-A393 HydrophobicContact CB-CB 4.28Å; I153-A393 PolarHBondContact N-O 3.28Å; I153-A393 PolarHBondContact O-N 2.92Å; I153-V395 HydrophobicContact CD1-CG2 3.61Å; I153-V395 HydrophobicContact CG1-CG2 4.48Å
154	C	98.4	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136	175.8	-59.9	0	0	0	0	109.4	V167 V181 F182 N183 S378	C154-V167 WeakPolarHBondContact SG-CG1 3.47Å; C154-V181 PolarHBondContact N-O 2.96Å; C154-F182 HydrophobicContact CB-CD1 3.55Å; C154-F182 HydrophobicContact CB-CE1 3.91Å; C154-F182 HydrophobicContact CB-CG 4.31Å; C154-N183 VanDerWaalsContact O-CB 3.27Å; C154-N183 WeakPolarHBondContact O-CB 3.48Å; C154-N183 PolarHBondContact O-N 2.84Å; C154-S378 WeakPolarHBondContact CA-OG 3.48Å
155	G	98.6	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.			trans	-90.3	-150.4	171	0	0	0	0	0	111.9	L157 S357 I376 S378	G155-L157 PolarHBondContact O-N 2.93Å; G155-S357 WeakPolarHBondContact CA-OG 3.42Å; G155-I376 WeakPolarHBondContact CA-O 3.27Å; G155-S378 PolarHBondContact N-OG 3.42Å
156	D	98.7	Very high	93.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-57.2	134.5	-173.6	-48.4	10.9	0	0	0	111.3	H158 D185 H269 S357 H358 F377 S378 S379	D156-H158 IonicContact OD2-NE2 2.71Å; D156-D185 HydrophobicContact CB-CB 3.89Å; D156-H269 IonicContact OD1-CE1 3.56Å; D156-H269 PolarHBondContact OD1-CE1 3.28Å; D156-H269 VanDerWaalsContact OD1-CE1 3.26Å; D156-H269 IonicContact OD1-ND1 3.68Å; D156-S357 WeakPolarHBondContact OD1-CB 3.38Å; D156-H358 PolarHBondContact OD1-N 3.38Å; D156-H358 WeakPolarHBondContact OD2-CA 3.48Å; D156-H358 PolarHBondContact OD2-N 3.47Å; D156-F377 HydrophobicContact CB-CD2 3.69Å; D156-F377 HydrophobicContact CB-CE2 3.45Å; D156-F377 VanDerWaalsContact CB-CE2 3.45Å; D156-F377 HydrophobicContact CB-CG 4.45Å; D156-F377 HydrophobicContact CB-CZ 4.02Å; D156-F377 WeakPolarHBondContact OD2-CD2 3.16Å; D156-F377 WeakPolarHBondContact OD2-CE2 3.39Å; D156-S378 CarbonylContact O-C 3.58Å; D156-S378 PolarHBondContact O-N 3.23Å; D156-S379 PolarHBondContact O-N 2.73Å
157	L	98.3	Very high	94.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.			trans	-112.6	-36.4	178.3	-72.8	170.7	0	0	0	111.7	G155 G159 N160 A163 A164 F182 D185 V196 L200 S379	G155-L157 PolarHBondContact O-N 2.93Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-G159 PolarHBondContact O-N 2.84Å; L157-N160 WeakPolarHBondContact O-CB 3.36Å; L157-N160 PolarHBondContact O-N 3.18Å; L157-A163 HydrophobicContact CD2-CB 4.05Å; L157-A164 HydrophobicContact CD1-CB 3.96Å; L157-A164 HydrophobicContact CD2-CB 4.08Å; L157-F182 HydrophobicContact CD1-CD1 3.94Å; L157-F182 HydrophobicContact CD1-CE1 4.33Å; L157-D185 PolarHBondContact N-O 3.06Å; L157-V196 HydrophobicContact CB-CG1 4.08Å; L157-V196 HydrophobicContact CD1-CG1 3.93Å; L157-L200 HydrophobicContact CD1-CD1 4.09Å; L157-L200 HydrophobicContact CD1-CD2 4.41Å; L157-S379 PolarHBondContact O-OG 3.05Å
158	H	97.5	Very high	95.1	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.028	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	51.1	173	-79.4	-45.1	0	0	0	114	D156 N160 D185 V187 D188 R189 G190 H218 Y382	D156-H158 IonicContact OD2-NE2 2.71Å; H158-N160 PolarHBondContact O-N 3Å; H158-N160 VanDerWaalsContact O-N 3.15Å; H158-D185 IonicContact CE1-OD2 3.86Å; H158-D185 PolarHBondContact CE1-OD2 3.44Å; H158-D185 PolarHBondContact N-O 2.65Å; H158-D185 IonicContact NE2-OD2 3.16Å; H158-V187 PolarHBondContact ND1-O 3.13Å; H158-D188 CarbonylContact C-O 3.59Å; H158-D188 VanDerWaalsContact CA-O 3.28Å; H158-D188 WeakPolarHBondContact CA-O 3.08Å; H158-D188 WeakPolarHBondContact CB-O 3.43Å; H158-D188 VanDerWaalsContact O-O 3.11Å; H158-R189 HydrophobicContact CB-CB 4.03Å; H158-R189 HydrophobicContact CB-CG 4.35Å; H158-G190 VanDerWaalsContact O-CA 3.24Å; H158-G190 WeakPolarHBondContact O-CA 3.41Å; H158-G190 PolarHBondContact O-N 3.42Å; H158-G190 VanDerWaalsContact O-N 3.07Å; H158-H218 AromaticContact CE1-CD2 3.52Å; H158-H218 AromaticContact CE1-CG 3.73Å; H158-H218 AromaticContact CE1-NE2 3.76Å; H158-Y382 HydrophobicContact CB-CD2 4.47Å; H158-Y382 HydrophobicContact CB-CE2 3.87Å; H158-Y382 AromaticContact CD2-CE2 3.45Å; H158-Y382 VanDerWaalsContact CD2-CE2 3.45Å; H158-Y382 WeakPolarHBondContact CD2-CE2 3.41Å; H158-Y382 AromaticContact CD2-CZ 3.79Å; H158-Y382 AromaticContact CG-CE2 3.9Å
159	G	95.8	Very high	95.5	Very high	5 Å²	5	19.3 Å²	19.3	5%	0.052	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	14.1	-178.5	0	0	0	0	0	115.3	L157 L161 F186 K192	L157-G159 VanDerWaalsContact C-N 3.34Å; L157-G159 PolarHBondContact O-N 2.84Å; G159-L161 PolarHBondContact O-N 3.5Å; G159-L161 VanDerWaalsContact O-N 3.13Å; G159-F186 PolarHBondContact N-O 3.03Å; G159-K192 WeakPolarHBondContact O-CB 3.3Å
160	N	94.9	Very high	95.6	Very high	31 Å²	31	20.2 Å²	20.2	17%	0.166	10%	0.098	C	C	.	.			trans	-82.5	81.4	171.5	-168.5	-18.8	0	0	0	110.6	L157 H158 L162 A163 A164 S379 F380	L157-N160 WeakPolarHBondContact O-CB 3.36Å; L157-N160 PolarHBondContact O-N 3.18Å; H158-N160 PolarHBondContact O-N 3Å; H158-N160 VanDerWaalsContact O-N 3.15Å; N160-L162 PolarHBondContact O-N 3.15Å; N160-L162 PolarHBondContact OD1-N 3.19Å; N160-A163 HydrophobicContact CB-CB 4.04Å; N160-A163 PolarHBondContact O-N 2.85Å; N160-A163 PolarHBondContact OD1-N 2.95Å; N160-A164 PolarHBondContact O-N 3.28Å; N160-S379 VanDerWaalsContact CB-OG 3.28Å; N160-S379 WeakPolarHBondContact CB-OG 3.32Å; N160-S379 PolarHBondContact ND2-OG 3.13Å; N160-F380 PolarHBondContact ND2-O 3.14Å
161	L	95.6	Very high	95.7	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-57	-35.3	178.6	-179.9	62.4	0	0	0	112.5	I112 G159 A164 L165 K192 E195 V196 L199	I112-L161 HydrophobicContact CD1-CD1 4.07Å; I112-L161 HydrophobicContact CG1-CD1 4.5Å; I112-L161 HydrophobicContact CG1-CD2 4.24Å; I112-L161 HydrophobicContact CG2-CD1 4.48Å; G159-L161 PolarHBondContact O-N 3.5Å; G159-L161 VanDerWaalsContact O-N 3.13Å; L161-A164 PolarHBondContact O-N 3.35Å; L161-L165 HydrophobicContact CD1-CD1 4.24Å; L161-L165 HydrophobicContact CD1-CG 4.17Å; L161-L165 HydrophobicContact CD2-CD1 4.47Å; L161-L165 HydrophobicContact CG-CD1 3.9Å; L161-L165 HydrophobicContact CG-CG 4.31Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.35Å; L161-K192 HydrophobicContact CB-CB 4.1Å; L161-K192 HydrophobicContact CB-CD 4.01Å; L161-K192 HydrophobicContact CD2-CD 4.01Å; L161-E195 HydrophobicContact CD1-CB 4.32Å; L161-E195 HydrophobicContact CD2-CB 3.98Å; L161-V196 HydrophobicContact CB-CG2 4.09Å; L161-V196 HydrophobicContact CD1-CG2 4.46Å; L161-L199 HydrophobicContact CD1-CD2 3.87Å
162	L	94.2	Very high	95.6	Very high	86 Å²	86	20.6 Å²	20.6	45%	0.45	11%	0.111	S	C	.	.	H	α-helix	trans	-66.4	-41.5	-179.9	-171.9	65	0	0	0	111.4	N160 L165 R166 F380	N160-L162 PolarHBondContact O-N 3.15Å; N160-L162 PolarHBondContact OD1-N 3.19Å; L162-L165 PolarHBondContact O-N 3.37Å; L162-R166 VanDerWaalsContact O-CB 3.25Å; L162-R166 WeakPolarHBondContact O-CB 3.38Å; L162-R166 PolarHBondContact O-N 2.76Å; L162-F380 HydrophobicContact CB-CZ 4.17Å; L162-F380 HydrophobicContact CD2-CE2 3.99Å; L162-F380 HydrophobicContact CD2-CZ 3.87Å; L162-F380 HydrophobicContact CG-CE2 4.42Å; L162-F380 HydrophobicContact CG-CZ 3.85Å
163	A	95	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-44.5	174.3	0	0	0	0	0	111.8	L157 N160 R166 V167 F380	L157-A163 HydrophobicContact CD2-CB 4.05Å; N160-A163 HydrophobicContact CB-CB 4.04Å; N160-A163 PolarHBondContact O-N 2.85Å; N160-A163 PolarHBondContact OD1-N 2.95Å; A163-R166 PolarHBondContact O-N 2.78Å; A163-V167 WeakPolarHBondContact O-CG2 3.21Å; A163-V167 PolarHBondContact O-N 2.88Å; A163-V167 VanDerWaalsContact O-N 3.09Å; A163-F380 HydrophobicContact CB-CD1 3.99Å; A163-F380 HydrophobicContact CB-CE1 3.68Å; A163-F380 HydrophobicContact CB-CZ 4.22Å
164	A	96.6	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.7	0	0	0	0	0	112.3	L157 N160 L161 R166 V167 F168 L199	L157-A164 HydrophobicContact CD1-CB 3.96Å; L157-A164 HydrophobicContact CD2-CB 4.08Å; N160-A164 PolarHBondContact O-N 3.28Å; L161-A164 PolarHBondContact O-N 3.35Å; A164-R166 VanDerWaalsContact C-N 3.34Å; A164-R166 PolarHBondContact O-N 2.82Å; A164-V167 PolarHBondContact O-N 3.17Å; A164-F168 VanDerWaalsContact O-CD2 3.25Å; A164-F168 WeakPolarHBondContact O-CD2 3.41Å; A164-L199 HydrophobicContact CB-CD2 3.79Å
165	L	95.9	Very high	95.2	Very high	19 Å²	19	25.7 Å²	25.7	10%	0.099	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-40.2	176	-70.5	169.3	0	0	0	111.9	L109 I112 Q113 L161 L162 V167 F168 E169 L199	L109-L165 HydrophobicContact CD2-CD2 3.74Å; I112-L165 HydrophobicContact CG2-CD2 4.21Å; Q113-L165 HydrophobicContact CG-CD1 3.49Å; Q113-L165 VanDerWaalsContact CG-CD1 3.49Å; L161-L165 HydrophobicContact CD1-CD1 4.24Å; L161-L165 HydrophobicContact CD1-CG 4.17Å; L161-L165 HydrophobicContact CD2-CD1 4.47Å; L161-L165 HydrophobicContact CG-CD1 3.9Å; L161-L165 HydrophobicContact CG-CG 4.31Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 3.35Å; L162-L165 PolarHBondContact O-N 3.37Å; L165-V167 VanDerWaalsContact C-N 3.31Å; L165-V167 PolarHBondContact O-N 2.75Å; L165-F168 PolarHBondContact O-N 3.5Å; L165-E169 PolarHBondContact O-N 2.94Å; L165-L199 HydrophobicContact CD2-CD2 4.02Å; L165-L199 HydrophobicContact CG-CD2 4.28Å
166	R	93.8	Very high	94.8	Very high	37 Å²	37	28.5 Å²	28.5	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-37	-179.3	-170.9	69.5	-147.9	161.2	12.1	112.4	L162 A163 A164 E169 E170 L438 I439	L162-R166 VanDerWaalsContact O-CB 3.25Å; L162-R166 WeakPolarHBondContact O-CB 3.38Å; L162-R166 PolarHBondContact O-N 2.76Å; A163-R166 PolarHBondContact O-N 2.78Å; A164-R166 VanDerWaalsContact C-N 3.34Å; A164-R166 PolarHBondContact O-N 2.82Å; R166-E169 IonicContact CZ-OE1 3.65Å; R166-E169 IonicContact CZ-OE2 3.89Å; R166-E169 IonicContact NH1-OE1 3.91Å; R166-E169 PolarHBondContact NH1-OE1 3.35Å; R166-E169 IonicContact NH1-OE2 2.99Å; R166-E169 PolarHBondContact NH1-OE2 3.42Å; R166-E169 PolarHBondContact O-N 3.46Å; R166-E170 HydrophobicContact CG-CG 4.35Å; R166-E170 IonicContact CZ-OE1 2.76Å; R166-E170 VanDerWaalsContact NE-CG 3.33Å; R166-E170 IonicContact NE-OE1 3.48Å; R166-E170 PolarHBondContact NE-OE1 2.79Å; R166-E170 IonicContact NH2-OE1 3.65Å; R166-E170 PolarHBondContact NH2-OE1 3.19Å; R166-E170 WeakPolarHBondContact O-CB 3.37Å; R166-E170 WeakPolarHBondContact O-CG 3.32Å; R166-E170 PolarHBondContact O-N 3.02Å; R166-L438 HydrophobicContact CB-CD2 4.31Å; R166-L438 HydrophobicContact CG-CB 4.42Å; R166-L438 HydrophobicContact CG-CD2 3.94Å; R166-I439 WeakPolarHBondContact CD-O 3.39Å
167	V	94.6	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.2	-51.8	172.8	167.2	0	0	0	0	110.3	I152 C154 A163 A164 L165 E169 E170 T171 F180 L438	I152-V167 HydrophobicContact CG2-CG1 4.11Å; C154-V167 WeakPolarHBondContact SG-CG1 3.47Å; A163-V167 WeakPolarHBondContact O-CG2 3.21Å; A163-V167 PolarHBondContact O-N 2.88Å; A163-V167 VanDerWaalsContact O-N 3.09Å; A164-V167 PolarHBondContact O-N 3.17Å; L165-V167 VanDerWaalsContact C-N 3.31Å; L165-V167 PolarHBondContact O-N 2.75Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 2.87Å; V167-E170 PolarHBondContact O-N 3.22Å; V167-T171 WeakPolarHBondContact O-CB 3.33Å; V167-T171 WeakPolarHBondContact O-CG2 3.49Å; V167-T171 PolarHBondContact O-N 2.9Å; V167-T171 PolarHBondContact O-OG1 3.17Å; V167-F180 HydrophobicContact CG1-CD1 4.31Å; V167-F180 HydrophobicContact CG1-CE1 3.88Å; V167-L438 HydrophobicContact CG2-CD1 4.04Å; V167-L438 HydrophobicContact CG2-CD2 3.85Å
168	F	94.8	Very high	94.3	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-37.9	179.2	-69.6	-64.2	0	0	0	112.3	F105 L109 A164 L165 G172 L173 P174 F180 F182 L199 A203	F105-F168 HydrophobicContact CZ-CZ 4.44Å; L109-F168 HydrophobicContact CD2-CD2 4.42Å; A164-F168 VanDerWaalsContact O-CD2 3.25Å; A164-F168 WeakPolarHBondContact O-CD2 3.41Å; L165-F168 PolarHBondContact O-N 3.5Å; F168-G172 CarbonylContact O-C 3.59Å; F168-G172 VanDerWaalsContact O-CA 3.25Å; F168-G172 WeakPolarHBondContact O-CA 3.49Å; F168-G172 PolarHBondContact O-N 2.91Å; F168-L173 HydrophobicContact CB-CD2 4.35Å; F168-L173 HydrophobicContact CD1-CD2 4.39Å; F168-P174 HydrophobicContact CE1-CG 4.08Å; F168-F180 HydrophobicContact CD1-CE1 4.28Å; F168-F180 HydrophobicContact CD1-CZ 4.3Å; F168-F180 HydrophobicContact CE1-CD1 4.42Å; F168-F180 HydrophobicContact CE1-CE1 4.33Å; F168-F180 HydrophobicContact CE1-CZ 4.5Å; F168-F182 HydrophobicContact CE1-CZ 4.13Å; F168-F182 HydrophobicContact CE2-CZ 4.04Å; F168-F182 HydrophobicContact CZ-CE2 4.03Å; F168-F182 AromaticContact CZ-CZ 3.55Å; F168-F182 HydrophobicContact CZ-CZ 3.55Å; F168-L199 HydrophobicContact CD2-CD2 4.43Å; F168-L199 HydrophobicContact CE2-CD1 4.13Å; F168-L199 HydrophobicContact CE2-CD2 4.11Å; F168-L199 HydrophobicContact CE2-CG 4.08Å; F168-A203 HydrophobicContact CZ-CB 4.11Å
169	E	92.2	Very high	94.3	Very high	133 Å²	133	36.7 Å²	36.7	62%	0.621	19%	0.189	S	C	*	.	H	α-helix	trans	-66	-40.3	178.1	-163.5	-168.9	152.9	0	0	112.5	L165 R166 V167	L165-E169 PolarHBondContact O-N 2.94Å; R166-E169 IonicContact CZ-OE1 3.65Å; R166-E169 IonicContact CZ-OE2 3.89Å; R166-E169 IonicContact NH1-OE1 3.91Å; R166-E169 PolarHBondContact NH1-OE1 3.35Å; R166-E169 IonicContact NH1-OE2 2.99Å; R166-E169 PolarHBondContact NH1-OE2 3.42Å; R166-E169 PolarHBondContact O-N 3.46Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 2.87Å
170	E	90.8	Very high	94.5	Very high	37 Å²	37	36.5 Å²	36.5	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-80.4	-36.1	-178.4	-74.8	-173	-169.2	0	0	114	R166 V167 I439	R166-E170 HydrophobicContact CG-CG 4.35Å; R166-E170 IonicContact CZ-OE1 2.76Å; R166-E170 VanDerWaalsContact NE-CG 3.33Å; R166-E170 IonicContact NE-OE1 3.48Å; R166-E170 PolarHBondContact NE-OE1 2.79Å; R166-E170 IonicContact NH2-OE1 3.65Å; R166-E170 PolarHBondContact NH2-OE1 3.19Å; R166-E170 WeakPolarHBondContact O-CB 3.37Å; R166-E170 WeakPolarHBondContact O-CG 3.32Å; R166-E170 PolarHBondContact O-N 3.02Å; V167-E170 PolarHBondContact O-N 3.22Å; E170-I439 VanDerWaalsContact OE1-CB 3.3Å; E170-I439 WeakPolarHBondContact OE1-CB 3.15Å; E170-I439 WeakPolarHBondContact OE1-CG1 3.34Å; E170-I439 PolarHBondContact OE1-N 2.99Å
171	T	92	Very high	94.7	Very high	26 Å²	26	35 Å²	35	16%	0.16	18%	0.179	C	C	.	.	H	α-helix	trans	-100.4	-11.4	-172.1	64.7	0	0	0	0	112.8	I152 V167 N178 F180 Y392	I152-T171 HydrophobicContact CD1-CG2 3.87Å; I152-T171 HydrophobicContact CG1-CG2 4.07Å; I152-T171 HydrophobicContact CG2-CG2 4.12Å; V167-T171 WeakPolarHBondContact O-CB 3.33Å; V167-T171 WeakPolarHBondContact O-CG2 3.49Å; V167-T171 PolarHBondContact O-N 2.9Å; V167-T171 PolarHBondContact O-OG1 3.17Å; T171-N178 PolarHBondContact O-ND2 3.13Å; T171-F180 VanDerWaalsContact OG1-CE1 3.29Å; T171-F180 WeakPolarHBondContact OG1-CE1 3.34Å; T171-F180 VanDerWaalsContact OG1-CZ 3.29Å; T171-F180 WeakPolarHBondContact OG1-CZ 3.47Å; T171-Y392 HydrophobicContact CG2-CD2 4.1Å; T171-Y392 HydrophobicContact CG2-CE1 4.1Å; T171-Y392 HydrophobicContact CG2-CE2 3.45Å; T171-Y392 VanDerWaalsContact CG2-CE2 3.45Å; T171-Y392 VanDerWaalsContact CG2-CZ 3.45Å
172	G	93.3	Very high	94.8	Very high	32 Å²	32	34.7 Å²	34.7	33%	0.33	18%	0.177	S	C	.	.			trans	83.8	176	-172.8	0	0	0	0	0	112.6	F168 N178 F180	F168-G172 CarbonylContact O-C 3.59Å; F168-G172 VanDerWaalsContact O-CA 3.25Å; F168-G172 WeakPolarHBondContact O-CA 3.49Å; F168-G172 PolarHBondContact O-N 2.91Å; G172-N178 PolarHBondContact O-ND2 3.34Å; G172-F180 VanDerWaalsContact O-CZ 3.29Å; G172-F180 WeakPolarHBondContact O-CZ 3.14Å
173	L	95.1	Very high	95	Very high	41 Å²	41	30.6 Å²	30.6	22%	0.215	16%	0.155	C	C	.	.			trans	-80.5	158.3	-179.1	-62.1	-179.4	0	0	0	112.4	F105 L106 L109 F168 N175 N178	F105-L173 HydrophobicContact CE1-CD2 4.13Å; L106-L173 HydrophobicContact CD2-CD1 3.46Å; L106-L173 VanDerWaalsContact CD2-CD1 3.46Å; L106-L173 HydrophobicContact CG-CD1 4.07Å; L109-L173 HydrophobicContact CD1-CD2 3.69Å; F168-L173 HydrophobicContact CB-CD2 4.35Å; F168-L173 HydrophobicContact CD1-CD2 4.39Å; L173-N175 PolarHBondContact O-ND2 2.97Å; L173-N175 VanDerWaalsContact O-ND2 3.16Å; L173-N178 PolarHBondContact O-ND2 2.8Å
174	P	96.8	Very high	95.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.155	C	C	.	.			trans	-60.1	137.4	174.7	-19.1	30.4	0	0	0	112.4	F168 N178 F180 Y207 V211	F168-P174 HydrophobicContact CE1-CG 4.08Å; P174-N178 CarbonylContact C-O 3.57Å; P174-N178 VanDerWaalsContact CA-O 3.27Å; P174-N178 WeakPolarHBondContact CA-O 3.46Å; P174-F180 HydrophobicContact CB-CD2 3.91Å; P174-F180 HydrophobicContact CB-CE2 4.06Å; P174-F180 HydrophobicContact CG-CD2 3.67Å; P174-F180 HydrophobicContact CG-CE2 3.78Å; P174-Y207 HydrophobicContact CB-CD1 4.21Å; P174-Y207 HydrophobicContact CB-CD2 3.75Å; P174-Y207 HydrophobicContact CB-CE2 4.28Å; P174-Y207 HydrophobicContact CB-CG 3.69Å; P174-Y207 HydrophobicContact CG-CD2 3.68Å; P174-Y207 HydrophobicContact CG-CE2 4.05Å; P174-Y207 HydrophobicContact CG-CG 4.17Å; P174-Y207 WeakPolarHBondContact O-CE1 3.49Å; P174-V211 HydrophobicContact CB-CG2 3.58Å; P174-V211 HydrophobicContact CG-CG2 3.36Å
175	N	94.5	Very high	95.3	Very high	69 Å²	69	30.6 Å²	30.6	37%	0.369	16%	0.156	S	C	.	.			trans	-159.3	-173.3	173.3	59.8	66.6	0	0	0	109.9	L173 R177 N178 Y210	L173-N175 PolarHBondContact O-ND2 2.97Å; L173-N175 VanDerWaalsContact O-ND2 3.16Å; N175-R177 PolarHBondContact O-N 2.8Å; N175-R177 WeakPolarHBondContact OD1-CA 3.43Å; N175-R177 WeakPolarHBondContact OD1-CB 3.28Å; N175-R177 PolarHBondContact OD1-N 3.03Å; N175-N178 PolarHBondContact N-O 2.87Å; N175-N178 CarbonylContact O-C 3.32Å; N175-N178 PolarHBondContact O-N 3.47Å; N175-N178 PolarHBondContact OD1-N 2.74Å; N175-Y210 VanDerWaalsContact C-CD2 3.47Å; N175-Y210 WeakPolarHBondContact O-CD1 3.34Å; N175-Y210 VanDerWaalsContact O-CG 3.28Å
176	S	91.5	Very high	95.4	Very high	60 Å²	60	29.7 Å²	29.7	42%	0.42	15%	0.151	S	C	.	.	S	Bend	trans	-55.8	-35.3	-180	55	0	0	0	0	113.7	H149 R179	H149-S176 PolarHBondContact CD2-O 2.93Å; H149-S176 PolarHBondContact NE2-O 2.96Å; S176-R179 PolarHBondContact O-NE 3.26Å
177	R	92.3	Very high	95.6	Very high	131 Å²	131	28 Å²	28	49%	0.494	14%	0.144	S	C	.	.	S	Bend	trans	-87.3	-41	177.5	-66.1	-178.6	175.4	164.3	-2.7	113.3	E148 H149 H150 N175	E148-R177 HydrophobicContact CB-CG 4.49Å; E148-R177 IonicContact OE1-NH2 3.97Å; E148-R177 IonicContact OE2-CZ 3.13Å; E148-R177 IonicContact OE2-NE 3.78Å; E148-R177 PolarHBondContact OE2-NE 2.81Å; E148-R177 IonicContact OE2-NH2 3.49Å; E148-R177 PolarHBondContact OE2-NH2 2.8Å; H149-R177 WeakPolarHBondContact CA-O 3.48Å; H150-R177 PolarHBondContact N-O 2.92Å; H150-R177 VanDerWaalsContact O-O 3.14Å; N175-R177 PolarHBondContact O-N 2.8Å; N175-R177 WeakPolarHBondContact OD1-CA 3.43Å; N175-R177 WeakPolarHBondContact OD1-CB 3.28Å; N175-R177 PolarHBondContact OD1-N 3.03Å
178	N	94.3	Very high	95.7	Very high	13 Å²	13	28 Å²	28	7%	0.07	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	106.8	-175.1	-168.1	33.8	0	0	0	111.4	T171 G172 L173 P174 N175 F180	T171-N178 PolarHBondContact O-ND2 3.13Å; G172-N178 PolarHBondContact O-ND2 3.34Å; L173-N178 PolarHBondContact O-ND2 2.8Å; P174-N178 CarbonylContact C-O 3.57Å; P174-N178 VanDerWaalsContact CA-O 3.27Å; P174-N178 WeakPolarHBondContact CA-O 3.46Å; N175-N178 PolarHBondContact N-O 2.87Å; N175-N178 CarbonylContact O-C 3.32Å; N175-N178 PolarHBondContact O-N 3.47Å; N175-N178 PolarHBondContact OD1-N 2.74Å; N178-F180 VanDerWaalsContact ND2-CE2 3.31Å; N178-F180 WeakPolarHBondContact ND2-CE2 3.32Å; N178-F180 WeakPolarHBondContact ND2-CZ 3.41Å
179	R	97.3	Very high	95.3	Very high	35 Å²	35	30.9 Å²	30.9	13%	0.132	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	158.2	-175.3	-56.2	-177.3	-173.4	-177.1	3.2	110.8	Q144 H149 H150 L151 I152 S176 Y210	Q144-R179 PolarHBondContact O-NH1 2.84Å; H149-R179 PolarHBondContact CE1-NH2 2.86Å; H149-R179 PolarHBondContact ND1-NH2 2.76Å; H149-R179 PolarHBondContact NE2-NH2 3.48Å; H149-R179 VanDerWaalsContact NE2-NH2 3.19Å; H150-R179 PolarHBondContact O-N 2.77Å; L151-R179 CarbonylContact C-O 3.55Å; L151-R179 WeakPolarHBondContact CA-O 3.41Å; L151-R179 HydrophobicContact CD1-CB 3.75Å; I152-R179 PolarHBondContact N-O 2.87Å; S176-R179 PolarHBondContact O-NE 3.26Å; R179-Y210 CarbonylContact C-O 3.57Å; R179-Y210 VanDerWaalsContact CA-O 3.27Å; R179-Y210 WeakPolarHBondContact CA-O 3.22Å; R179-Y210 HydrophobicContact CG-CD1 4.37Å
180	F	98.6	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.2	-173	-68.6	-98.8	0	0	0	112.2	I152 V167 F168 T171 G172 P174 N178 F182 Y210 V211 F212	I152-F180 HydrophobicContact CB-CD1 3.67Å; I152-F180 HydrophobicContact CB-CE1 3.69Å; I152-F180 HydrophobicContact CB-CG 4.32Å; I152-F180 HydrophobicContact CB-CZ 4.35Å; I152-F180 HydrophobicContact CG1-CD1 4.25Å; I152-F180 HydrophobicContact CG1-CE1 3.82Å; I152-F180 HydrophobicContact CG1-CZ 4.02Å; I152-F180 HydrophobicContact CG2-CD1 3.92Å; I152-F180 HydrophobicContact CG2-CE1 3.83Å; I152-F180 CarbonylContact O-C 3.41Å; I152-F180 VanDerWaalsContact O-CA 3.29Å; I152-F180 WeakPolarHBondContact O-CA 3.46Å; V167-F180 HydrophobicContact CG1-CD1 4.31Å; V167-F180 HydrophobicContact CG1-CE1 3.88Å; F168-F180 HydrophobicContact CD1-CE1 4.28Å; F168-F180 HydrophobicContact CD1-CZ 4.3Å; F168-F180 HydrophobicContact CE1-CD1 4.42Å; F168-F180 HydrophobicContact CE1-CE1 4.33Å; F168-F180 HydrophobicContact CE1-CZ 4.5Å; T171-F180 VanDerWaalsContact OG1-CE1 3.29Å; T171-F180 WeakPolarHBondContact OG1-CE1 3.34Å; T171-F180 VanDerWaalsContact OG1-CZ 3.29Å; T171-F180 WeakPolarHBondContact OG1-CZ 3.47Å; G172-F180 VanDerWaalsContact O-CZ 3.29Å; G172-F180 WeakPolarHBondContact O-CZ 3.14Å; P174-F180 HydrophobicContact CB-CD2 3.91Å; P174-F180 HydrophobicContact CB-CE2 4.06Å; P174-F180 HydrophobicContact CG-CD2 3.67Å; P174-F180 HydrophobicContact CG-CE2 3.78Å; N178-F180 VanDerWaalsContact ND2-CE2 3.31Å; N178-F180 WeakPolarHBondContact ND2-CE2 3.32Å; N178-F180 WeakPolarHBondContact ND2-CZ 3.41Å; F180-F182 HydrophobicContact CB-CD2 4.33Å; F180-F182 HydrophobicContact CB-CE2 3.8Å; F180-F182 HydrophobicContact CD1-CE2 4.2Å; F180-F182 HydrophobicContact CD1-CZ 4.12Å; F180-F182 HydrophobicContact CG-CE2 4.3Å; F180-Y210 PolarHBondContact N-O 2.9Å; F180-V211 HydrophobicContact CB-CG1 4.4Å; F180-V211 HydrophobicContact CB-CG2 4.36Å; F180-F212 VanDerWaalsContact O-CD2 3.26Å; F180-F212 WeakPolarHBondContact O-CD2 3.43Å; F180-F212 PolarHBondContact O-N 3.02Å
181	V	98.8	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.5	162.4	170.1	0	0	0	0	107.7	I143 L151 I152 I153 C154 N183 F212 I267	I143-V181 HydrophobicContact CD1-CG2 3.49Å; I143-V181 VanDerWaalsContact CD1-CG2 3.49Å; L151-V181 HydrophobicContact CD1-CG2 3.95Å; L151-V181 HydrophobicContact CD2-CG2 4.42Å; I152-V181 PolarHBondContact O-N 3.11Å; I153-V181 CarbonylContact C-O 3.48Å; I153-V181 WeakPolarHBondContact CA-O 3.26Å; I153-V181 HydrophobicContact CG1-CB 4.38Å; I153-V181 HydrophobicContact CG2-CB 4.48Å; I153-V181 HydrophobicContact CG2-CG1 4.41Å; C154-V181 PolarHBondContact N-O 2.96Å; V181-N183 HydrophobicContact CG1-CB 4.44Å; V181-F212 CarbonylContact C-O 3.51Å; V181-F212 WeakPolarHBondContact CA-O 3.21Å; V181-F212 HydrophobicContact CG2-CB 4Å; V181-F212 HydrophobicContact CG2-CD2 4.03Å; V181-F212 HydrophobicContact CG2-CG 4.44Å; V181-I267 HydrophobicContact CG1-CD1 4.31Å; V181-I267 HydrophobicContact CG1-CG2 4.25Å; V181-I267 HydrophobicContact CG2-CD1 4.28Å
182	F	98.9	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.5	166.2	-61	-95.2	0	0	0	108.4	C154 L157 F168 F180 G184 F186 L200 V211 F212 L213 N214	C154-F182 HydrophobicContact CB-CD1 3.55Å; C154-F182 HydrophobicContact CB-CE1 3.91Å; C154-F182 HydrophobicContact CB-CG 4.31Å; L157-F182 HydrophobicContact CD1-CD1 3.94Å; L157-F182 HydrophobicContact CD1-CE1 4.33Å; F168-F182 HydrophobicContact CE1-CZ 4.13Å; F168-F182 HydrophobicContact CE2-CZ 4.04Å; F168-F182 HydrophobicContact CZ-CE2 4.03Å; F168-F182 AromaticContact CZ-CZ 3.55Å; F168-F182 HydrophobicContact CZ-CZ 3.55Å; F180-F182 HydrophobicContact CB-CD2 4.33Å; F180-F182 HydrophobicContact CB-CE2 3.8Å; F180-F182 HydrophobicContact CD1-CE2 4.2Å; F180-F182 HydrophobicContact CD1-CZ 4.12Å; F180-F182 HydrophobicContact CG-CE2 4.3Å; F182-G184 PolarHBondContact O-N 2.89Å; F182-F186 HydrophobicContact CB-CD1 4.5Å; F182-F186 HydrophobicContact CB-CE1 3.67Å; F182-F186 HydrophobicContact CB-CZ 4.27Å; F182-L200 HydrophobicContact CB-CD1 4.29Å; F182-L200 HydrophobicContact CD1-CD1 4.36Å; F182-L200 HydrophobicContact CD1-CD2 3.52Å; F182-L200 HydrophobicContact CD2-CD2 3.79Å; F182-L200 HydrophobicContact CE1-CD2 3.5Å; F182-L200 VanDerWaalsContact CE1-CD2 3.5Å; F182-L200 HydrophobicContact CE2-CD2 3.76Å; F182-L200 HydrophobicContact CG-CD1 4.3Å; F182-L200 HydrophobicContact CG-CD2 3.68Å; F182-L200 HydrophobicContact CZ-CD2 3.62Å; F182-V211 HydrophobicContact CD2-CG1 4.15Å; F182-V211 HydrophobicContact CE2-CG1 4.02Å; F182-F212 PolarHBondContact N-O 2.57Å; F182-L213 HydrophobicContact CB-CD2 3.6Å; F182-L213 HydrophobicContact CD2-CD2 3.73Å; F182-L213 HydrophobicContact CG-CD2 4Å; F182-L213 WeakPolarHBondContact O-CA 3.19Å; F182-N214 PolarHBondContact O-N 2.85Å
183	N	98.8	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	54.9	-161.2	-166.5	43.2	0	0	0	113	C154 V181 N214 I267 C268 H269 S357	C154-N183 VanDerWaalsContact O-CB 3.27Å; C154-N183 WeakPolarHBondContact O-CB 3.48Å; C154-N183 PolarHBondContact O-N 2.84Å; V181-N183 HydrophobicContact CG1-CB 4.44Å; N183-N214 PolarHBondContact OD1-ND2 2.95Å; N183-I267 HydrophobicContact CB-CG2 4.44Å; N183-I267 WeakPolarHBondContact OD1-CG2 3.46Å; N183-C268 PolarHBondContact ND2-O 3.08Å; N183-H269 PolarHBondContact O-ND1 3.04Å; N183-S357 PolarHBondContact ND2-OG 3.24Å
184	G	98.5	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	78.2	177.4	177.1	0	0	0	0	0	115.1	F182 N214	F182-G184 PolarHBondContact O-N 2.89Å; G184-N214 VanDerWaalsContact CA-O 3.23Å; G184-N214 WeakPolarHBondContact CA-O 3.13Å; G184-N214 PolarHBondContact N-O 3.47Å; G184-N214 VanDerWaalsContact N-O 3.11Å
185	D	98.7	Very high	95.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.142	C	C	.	.			trans	55.9	55.4	177.5	-77.4	13.9	0	0	0	112.7	D156 L157 H158 G216 N217 H218 E219 H269	D156-D185 HydrophobicContact CB-CB 3.89Å; L157-D185 PolarHBondContact N-O 3.06Å; H158-D185 IonicContact CE1-OD2 3.86Å; H158-D185 PolarHBondContact CE1-OD2 3.44Å; H158-D185 PolarHBondContact N-O 2.65Å; H158-D185 IonicContact NE2-OD2 3.16Å; D185-G216 WeakPolarHBondContact OD1-CA 3.49Å; D185-N217 PolarHBondContact OD1-N 3.21Å; D185-N217 PolarHBondContact OD1-OD1 2.97Å; D185-N217 PolarHBondContact OD2-OD1 2.92Å; D185-N217 VanDerWaalsContact OD2-OD1 3.1Å; D185-H218 VanDerWaalsContact CG-CD2 3.49Å; D185-H218 WeakPolarHBondContact OD1-CB 3.2Å; D185-H218 IonicContact OD1-CD2 3.76Å; D185-H218 PolarHBondContact OD1-CD2 3.44Å; D185-H218 IonicContact OD1-CG 3.67Å; D185-H218 PolarHBondContact OD1-N 3.2Å; D185-H218 IonicContact OD2-CD2 3.66Å; D185-H218 PolarHBondContact OD2-CD2 2.77Å; D185-H218 IonicContact OD2-CG 2.77Å; D185-E219 PolarHBondContact N-OE1 2.78Å; D185-E219 PolarHBondContact N-OE2 3.14Å; D185-H269 IonicContact OD1-CE1 2.71Å; D185-H269 PolarHBondContact OD1-CE1 2.89Å; D185-H269 IonicContact OD1-NE2 2.59Å; D185-H269 PolarHBondContact OD1-NE2 3.03Å; D185-H269 IonicContact OD2-CE1 3.9Å; D185-H269 PolarHBondContact OD2-CE1 2.9Å; D185-H269 VanDerWaalsContact OD2-CE1 3.3Å; D185-H269 IonicContact OD2-NE2 3.5Å; D185-H269 PolarHBondContact OD2-NE2 2.78Å
186	F	98.7	Very high	95.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.			trans	-79.5	-32.8	178.1	-45.2	-42.7	0	0	0	111.3	G159 F182 V196 L197 L200 L213 N214 E219 L255	G159-F186 PolarHBondContact N-O 3.03Å; F182-F186 HydrophobicContact CB-CD1 4.5Å; F182-F186 HydrophobicContact CB-CE1 3.67Å; F182-F186 HydrophobicContact CB-CZ 4.27Å; F186-V196 HydrophobicContact CB-CG1 4.21Å; F186-V196 WeakPolarHBondContact O-CG1 3.38Å; F186-L197 HydrophobicContact CD2-CD1 4.33Å; F186-L200 HydrophobicContact CB-CD1 4.05Å; F186-L200 HydrophobicContact CD1-CD1 3.39Å; F186-L200 HydrophobicContact CD2-CD1 4.22Å; F186-L200 HydrophobicContact CE1-CD1 3.85Å; F186-L200 HydrophobicContact CG-CD1 3.61Å; F186-L200 HydrophobicContact CZ-CD1 4.42Å; F186-L213 HydrophobicContact CE2-CB 4.23Å; F186-L213 HydrophobicContact CE2-CD1 4.33Å; F186-L213 HydrophobicContact CZ-CB 3.96Å; F186-L213 HydrophobicContact CZ-CD2 4.17Å; F186-L213 HydrophobicContact CZ-CG 4.44Å; F186-N214 VanDerWaalsContact CZ-O 3.22Å; F186-N214 WeakPolarHBondContact CZ-O 3.27Å; F186-E219 HydrophobicContact CD2-CG 4.11Å; F186-E219 WeakPolarHBondContact CD2-OE1 3.48Å; F186-E219 HydrophobicContact CE2-CG 4.36Å; F186-E219 PolarHBondContact N-OE1 3Å; F186-L255 HydrophobicContact CE2-CD1 4.22Å
187	V	98.4	Very high	96	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-109.7	-179.6	-171.2	-57.6	0	0	0	0	112.4	H158 S193 L197 H218 N224 F229 F252	H158-V187 PolarHBondContact ND1-O 3.13Å; V187-S193 WeakPolarHBondContact CA-OG 3.49Å; V187-L197 HydrophobicContact CG1-CB 4.35Å; V187-L197 HydrophobicContact CG1-CD2 4.42Å; V187-H218 HydrophobicContact CG2-CB 4.29Å; V187-H218 VanDerWaalsContact CG2-O 3.27Å; V187-H218 WeakPolarHBondContact CG2-O 3.48Å; V187-N224 WeakPolarHBondContact CG2-ND2 3.25Å; V187-F229 HydrophobicContact CB-CB 4.15Å; V187-F229 HydrophobicContact CB-CD1 3.86Å; V187-F229 HydrophobicContact CB-CD2 4.15Å; V187-F229 HydrophobicContact CB-CE1 4.27Å; V187-F229 HydrophobicContact CB-CG 3.8Å; V187-F229 HydrophobicContact CG1-CD1 4.03Å; V187-F229 HydrophobicContact CG1-CD2 4.26Å; V187-F229 HydrophobicContact CG1-CE1 3.9Å; V187-F229 HydrophobicContact CG1-CE2 4.13Å; V187-F229 HydrophobicContact CG1-CG 4.21Å; V187-F229 HydrophobicContact CG1-CZ 3.94Å; V187-F229 HydrophobicContact CG2-CB 4.41Å; V187-F229 HydrophobicContact CG2-CD1 3.94Å; V187-F229 HydrophobicContact CG2-CE1 4.48Å; V187-F229 HydrophobicContact CG2-CG 4.24Å; V187-F252 HydrophobicContact CG1-CZ 4.34Å; V187-F252 HydrophobicContact CG2-CZ 4.18Å
188	D	94.7	Very high	96.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	63.8	169.3	-174.5	-74.2	-37.1	0	0	0	115	H158 G190 S193 H218 N224 Y227 G228 F229	H158-D188 CarbonylContact C-O 3.59Å; H158-D188 VanDerWaalsContact CA-O 3.28Å; H158-D188 WeakPolarHBondContact CA-O 3.08Å; H158-D188 WeakPolarHBondContact CB-O 3.43Å; H158-D188 VanDerWaalsContact O-O 3.11Å; D188-G190 PolarHBondContact O-N 3.46Å; D188-S193 PolarHBondContact N-OG 2.86Å; D188-H218 VanDerWaalsContact CB-ND1 3.28Å; D188-H218 WeakPolarHBondContact CB-ND1 3.48Å; D188-H218 IonicContact OD2-CE1 3.7Å; D188-H218 IonicContact OD2-CG 3.43Å; D188-H218 IonicContact OD2-ND1 3.69Å; D188-H218 PolarHBondContact OD2-ND1 3.49Å; D188-N224 VanDerWaalsContact CG-ND2 3.32Å; D188-N224 WeakPolarHBondContact OD1-CA 3.36Å; D188-N224 WeakPolarHBondContact OD2-CA 3.27Å; D188-N224 PolarHBondContact OD2-ND2 3.46Å; D188-Y227 VanDerWaalsContact CG-CB 3.49Å; D188-G228 PolarHBondContact OD1-N 2.76Å; D188-G228 VanDerWaalsContact OD1-N 3.13Å; D188-F229 WeakPolarHBondContact OD1-CB 3.4Å; D188-F229 PolarHBondContact OD1-N 2.82Å
189	R	87.4	Confident	96.4	Very high	70 Å²	70	14.6 Å²	14.6	26%	0.264	8%	0.078	S	C	.	.	S	Bend	trans	66.2	-40.3	174.2	-46.7	-71.8	-166.3	168.4	4.1	115.6	E50 H158 Y227 Y382	E50-R189 VanDerWaalsContact CG-CZ 3.41Å; E50-R189 VanDerWaalsContact CG-NH1 3.27Å; E50-R189 PolarHBondContact O-NH1 3.46Å; E50-R189 IonicContact OE1-CZ 2.9Å; E50-R189 IonicContact OE1-NE 2.57Å; E50-R189 IonicContact OE1-NH2 3.02Å; H158-R189 HydrophobicContact CB-CB 4.03Å; H158-R189 HydrophobicContact CB-CG 4.35Å; R189-Y227 PolarHBondContact N-O 2.97Å; R189-Y382 HydrophobicContact CB-CE2 4.03Å; R189-Y382 HydrophobicContact CG-CE2 4.28Å; R189-Y382 WeakPolarHBondContact CG-OH 3.5Å
190	G	86.7	Confident	96.5	Very high	28 Å²	28	12.9 Å²	12.9	29%	0.289	7%	0.072	S	C	.	.	S	Bend	trans	-87.8	-176.3	171.1	0	0	0	0	0	113.1	H158 D188	H158-G190 VanDerWaalsContact O-CA 3.24Å; H158-G190 WeakPolarHBondContact O-CA 3.41Å; H158-G190 PolarHBondContact O-N 3.42Å; H158-G190 VanDerWaalsContact O-N 3.07Å; D188-G190 PolarHBondContact O-N 3.46Å
191	T	86.3	Confident	96.5	Very high	110 Å²	110	12.9 Å²	12.9	68%	0.675	7%	0.072	S	C	*	.	S	Bend	trans	-113.6	-0.5	-179.5	55.3	0	0	0	0	113.5	E232 K236	T191-E232 VanDerWaalsContact C-OE2 3.23Å; T191-K236 PolarHBondContact O-NZ 3.26Å
192	K	96.1	Very high	96.5	Very high	47 Å²	47	12.9 Å²	12.9	20%	0.204	7%	0.072	C	C	.	.			trans	-121.9	35.4	-179.7	-57.3	-169.2	178.2	-176.3	0	112.3	D115 G159 L161 E195 V196	D115-K192 IonicContact OD1-NZ 3.48Å; D115-K192 PolarHBondContact OD1-NZ 2.88Å; D115-K192 IonicContact OD2-NZ 3.29Å; D115-K192 PolarHBondContact OD2-NZ 3.2Å; G159-K192 WeakPolarHBondContact O-CB 3.3Å; L161-K192 HydrophobicContact CB-CB 4.1Å; L161-K192 HydrophobicContact CB-CD 4.01Å; L161-K192 HydrophobicContact CD2-CD 4.01Å; K192-E195 WeakPolarHBondContact CA-OE2 3.5Å; K192-E195 HydrophobicContact CB-CB 4.22Å; K192-E195 HydrophobicContact CB-CG 4.47Å; K192-E195 PolarHBondContact O-N 2.97Å; K192-V196 WeakPolarHBondContact O-CG2 3.46Å; K192-V196 PolarHBondContact O-N 3.03Å
193	S	98.2	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.5	-38.6	-179.3	-64.9	0	0	0	0	112.4	V187 D188 E195 V196 L197 E232	V187-S193 WeakPolarHBondContact CA-OG 3.49Å; D188-S193 PolarHBondContact N-OG 2.86Å; S193-E195 VanDerWaalsContact C-N 3.28Å; S193-E195 PolarHBondContact O-N 3.1Å; S193-V196 PolarHBondContact O-N 3.29Å; S193-L197 VanDerWaalsContact O-CB 3.31Å; S193-L197 WeakPolarHBondContact O-CB 3.22Å; S193-L197 PolarHBondContact O-N 3.48Å; S193-E232 VanDerWaalsContact CB-OE2 3.3Å; S193-E232 WeakPolarHBondContact CB-OE2 3.48Å; S193-E232 PolarHBondContact N-OE1 2.7Å; S193-E232 PolarHBondContact N-OE2 3.19Å; S193-E232 PolarHBondContact OG-OE2 3.3Å
194	A	98	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.9	-37.4	175.9	0	0	0	0	0	111.9	F123 S198 F229 E232 Y237	F123-A194 HydrophobicContact CE1-CB 4.26Å; F123-A194 HydrophobicContact CZ-CB 4.29Å; A194-S198 VanDerWaalsContact O-CB 3.26Å; A194-S198 WeakPolarHBondContact O-CB 3.34Å; A194-S198 PolarHBondContact O-N 3.37Å; A194-S198 PolarHBondContact O-OG 3.34Å; A194-F229 HydrophobicContact CB-CE2 4.4Å; A194-E232 WeakPolarHBondContact CB-OE1 3.39Å; A194-E232 PolarHBondContact N-OE1 3.17Å; A194-Y237 HydrophobicContact CB-CE2 4.16Å
195	E	98.1	Very high	96.3	Very high	13 Å²	13	13.7 Å²	13.7	6%	0.061	8%	0.076	C	C	.	.	H	α-helix	trans	-71.6	-46.3	178.2	-63.3	79.6	172.9	0	0	111.4	I112 I118 L161 K192 S193 L197 S198 L199 K236	I112-E195 HydrophobicContact CD1-CB 3.91Å; I112-E195 VanDerWaalsContact CD1-O 3.26Å; I112-E195 WeakPolarHBondContact CD1-O 3.19Å; I112-E195 HydrophobicContact CG1-CB 4.16Å; I112-E195 HydrophobicContact CG1-CG 4.4Å; I118-E195 HydrophobicContact CD1-CB 4.46Å; I118-E195 HydrophobicContact CD1-CG 4.19Å; I118-E195 HydrophobicContact CG1-CG 4.46Å; L161-E195 HydrophobicContact CD1-CB 4.32Å; L161-E195 HydrophobicContact CD2-CB 3.98Å; K192-E195 WeakPolarHBondContact CA-OE2 3.5Å; K192-E195 HydrophobicContact CB-CB 4.22Å; K192-E195 HydrophobicContact CB-CG 4.47Å; K192-E195 PolarHBondContact O-N 2.97Å; S193-E195 VanDerWaalsContact C-N 3.28Å; S193-E195 PolarHBondContact O-N 3.1Å; E195-L197 PolarHBondContact O-N 2.9Å; E195-S198 PolarHBondContact O-N 3.5Å; E195-L199 WeakPolarHBondContact O-CB 3.42Å; E195-L199 PolarHBondContact O-N 3.1Å; E195-K236 IonicContact OE1-NZ 2.76Å; E195-K236 PolarHBondContact OE1-NZ 2.81Å; E195-K236 IonicContact OE2-NZ 2.75Å; E195-K236 PolarHBondContact OE2-NZ 2.73Å
196	V	98.5	Very high	96.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58	-50.3	173.8	169.8	0	0	0	0	110.4	L157 L161 F186 K192 S193 S198 L199 L200	L157-V196 HydrophobicContact CB-CG1 4.08Å; L157-V196 HydrophobicContact CD1-CG1 3.93Å; L161-V196 HydrophobicContact CB-CG2 4.09Å; L161-V196 HydrophobicContact CD1-CG2 4.46Å; F186-V196 HydrophobicContact CB-CG1 4.21Å; F186-V196 WeakPolarHBondContact O-CG1 3.38Å; K192-V196 WeakPolarHBondContact O-CG2 3.46Å; K192-V196 PolarHBondContact O-N 3.03Å; S193-V196 PolarHBondContact O-N 3.29Å; V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.98Å; V196-L199 WeakPolarHBondContact O-CB 3.11Å; V196-L199 PolarHBondContact O-N 3.25Å; V196-L200 HydrophobicContact CG1-CD1 4.16Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 2.69Å
197	L	98.7	Very high	96.2	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-57.8	-48	178.7	-174.6	61.1	0	0	0	110.5	F123 L127 F186 V187 S193 E195 L199 L200 L201 F229 L251 F252	F123-L197 HydrophobicContact CE2-CD2 4.39Å; F123-L197 HydrophobicContact CZ-CD2 4.25Å; L127-L197 HydrophobicContact CD2-CD2 4.13Å; F186-L197 HydrophobicContact CD2-CD1 4.33Å; V187-L197 HydrophobicContact CG1-CB 4.35Å; V187-L197 HydrophobicContact CG1-CD2 4.42Å; S193-L197 VanDerWaalsContact O-CB 3.31Å; S193-L197 WeakPolarHBondContact O-CB 3.22Å; S193-L197 PolarHBondContact O-N 3.48Å; E195-L197 PolarHBondContact O-N 2.9Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 2.8Å; L197-L200 PolarHBondContact O-N 3.41Å; L197-L201 HydrophobicContact CD1-CD1 4.43Å; L197-L201 HydrophobicContact CD1-CD2 4.49Å; L197-L201 HydrophobicContact CD1-CG 4.28Å; L197-L201 HydrophobicContact CG-CD1 4.17Å; L197-L201 HydrophobicContact CG-CG 4.36Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.28Å; L197-L201 PolarHBondContact O-N 3.03Å; L197-F229 HydrophobicContact CD2-CZ 4.18Å; L197-L251 HydrophobicContact CD1-CD2 4.06Å; L197-L251 HydrophobicContact CD2-CD2 4.2Å; L197-L251 HydrophobicContact CG-CD2 4.43Å; L197-F252 HydrophobicContact CD1-CE1 4.44Å; L197-F252 HydrophobicContact CD2-CE1 4.27Å
198	S	98	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-39.7	179.3	-60.5	0	0	0	0	113.1	I118 F123 A194 E195 V196 L201 M202	I118-S198 WeakPolarHBondContact CD1-OG 3.48Å; F123-S198 WeakPolarHBondContact CD2-OG 3.44Å; F123-S198 WeakPolarHBondContact CE2-OG 3.26Å; A194-S198 VanDerWaalsContact O-CB 3.26Å; A194-S198 WeakPolarHBondContact O-CB 3.34Å; A194-S198 PolarHBondContact O-N 3.37Å; A194-S198 PolarHBondContact O-OG 3.34Å; E195-S198 PolarHBondContact O-N 3.5Å; V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.98Å; S198-L201 PolarHBondContact O-N 3.3Å; S198-M202 VanDerWaalsContact O-CB 3.31Å; S198-M202 WeakPolarHBondContact O-CB 3.13Å; S198-M202 VanDerWaalsContact O-CG 3.22Å; S198-M202 WeakPolarHBondContact O-CG 3.37Å; S198-M202 PolarHBondContact O-N 3.3Å
199	L	98.1	Very high	96.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-50.3	173.6	173.4	59.9	0	0	0	112.1	F105 L109 I112 L161 A164 L165 F168 E195 V196 L197 L201 M202 A203	F105-L199 HydrophobicContact CE2-CD1 4.03Å; F105-L199 HydrophobicContact CZ-CD1 4.06Å; L109-L199 HydrophobicContact CD2-CD1 3.45Å; L109-L199 VanDerWaalsContact CD2-CD1 3.45Å; I112-L199 HydrophobicContact CD1-CB 4.04Å; L161-L199 HydrophobicContact CD1-CD2 3.87Å; A164-L199 HydrophobicContact CB-CD2 3.79Å; L165-L199 HydrophobicContact CD2-CD2 4.02Å; L165-L199 HydrophobicContact CG-CD2 4.28Å; F168-L199 HydrophobicContact CD2-CD2 4.43Å; F168-L199 HydrophobicContact CE2-CD1 4.13Å; F168-L199 HydrophobicContact CE2-CD2 4.11Å; F168-L199 HydrophobicContact CE2-CG 4.08Å; E195-L199 WeakPolarHBondContact O-CB 3.42Å; E195-L199 PolarHBondContact O-N 3.1Å; V196-L199 WeakPolarHBondContact O-CB 3.11Å; V196-L199 PolarHBondContact O-N 3.25Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 2.8Å; L199-L201 PolarHBondContact O-N 3.25Å; L199-M202 PolarHBondContact O-N 3.49Å; L199-A203 WeakPolarHBondContact O-CB 3.41Å; L199-A203 PolarHBondContact O-N 2.76Å
200	L	98.7	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-179.4	-61.9	-176.5	0	0	0	111.7	L157 F182 F186 V196 L197 A203 V204 L213	L157-L200 HydrophobicContact CD1-CD1 4.09Å; L157-L200 HydrophobicContact CD1-CD2 4.41Å; F182-L200 HydrophobicContact CB-CD1 4.29Å; F182-L200 HydrophobicContact CD1-CD1 4.36Å; F182-L200 HydrophobicContact CD1-CD2 3.52Å; F182-L200 HydrophobicContact CD2-CD2 3.79Å; F182-L200 HydrophobicContact CE1-CD2 3.5Å; F182-L200 VanDerWaalsContact CE1-CD2 3.5Å; F182-L200 HydrophobicContact CE2-CD2 3.76Å; F182-L200 HydrophobicContact CG-CD1 4.3Å; F182-L200 HydrophobicContact CG-CD2 3.68Å; F182-L200 HydrophobicContact CZ-CD2 3.62Å; F186-L200 HydrophobicContact CB-CD1 4.05Å; F186-L200 HydrophobicContact CD1-CD1 3.39Å; F186-L200 HydrophobicContact CD2-CD1 4.22Å; F186-L200 HydrophobicContact CE1-CD1 3.85Å; F186-L200 HydrophobicContact CG-CD1 3.61Å; F186-L200 HydrophobicContact CZ-CD1 4.42Å; V196-L200 HydrophobicContact CG1-CD1 4.16Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 2.69Å; L197-L200 PolarHBondContact O-N 3.41Å; L200-A203 WeakPolarHBondContact O-CB 3.34Å; L200-A203 PolarHBondContact O-N 3.29Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 3.2Å; L200-L213 HydrophobicContact CB-CD1 4.09Å; L200-L213 HydrophobicContact CB-CD2 4.06Å; L200-L213 HydrophobicContact CD1-CD2 4.3Å
201	L	98.6	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-42.3	177	-65	-172.6	0	0	0	112.4	I126 L127 A130 F134 L197 S198 L199 A203 V204 L205 L213 L251	I126-L201 HydrophobicContact CG1-CD1 4.5Å; L127-L201 HydrophobicContact CD2-CD1 3.88Å; A130-L201 HydrophobicContact CB-CB 4.32Å; A130-L201 HydrophobicContact CB-CD1 3.97Å; A130-L201 HydrophobicContact CB-CD2 3.56Å; A130-L201 HydrophobicContact CB-CG 4.13Å; F134-L201 HydrophobicContact CE2-CD2 4.11Å; L197-L201 HydrophobicContact CD1-CD1 4.43Å; L197-L201 HydrophobicContact CD1-CD2 4.49Å; L197-L201 HydrophobicContact CD1-CG 4.28Å; L197-L201 HydrophobicContact CG-CD1 4.17Å; L197-L201 HydrophobicContact CG-CG 4.36Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.28Å; L197-L201 PolarHBondContact O-N 3.03Å; S198-L201 PolarHBondContact O-N 3.3Å; L199-L201 PolarHBondContact O-N 3.25Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.85Å; L201-V204 PolarHBondContact O-N 3.03Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.43Å; L201-L205 PolarHBondContact O-N 2.96Å; L201-L213 HydrophobicContact CD2-CD1 4.05Å; L201-L251 HydrophobicContact CD1-CD2 3.71Å; L201-L251 HydrophobicContact CD2-CD1 4.21Å; L201-L251 HydrophobicContact CD2-CD2 4.08Å; L201-L251 HydrophobicContact CG-CD2 4.41Å
202	M	97.5	Very high	97.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-39.6	174.2	-76.9	-70.1	-67.5	0	0	111.4	F89 L96 I100 F105 F108 F122 I126 S198 L199 L205 T206	F89-M202 HydrophobicContact CZ-CE 4.34Å; L96-M202 HydrophobicContact CD1-CE 4.42Å; L96-M202 HydrophobicContact CD2-SD 4.42Å; I100-M202 HydrophobicContact CD1-CE 3.95Å; I100-M202 HydrophobicContact CD1-SD 3.58Å; I100-M202 VanDerWaalsContact CD1-SD 3.58Å; I100-M202 HydrophobicContact CG2-CE 4.21Å; F105-M202 HydrophobicContact CD2-CB 3.92Å; F105-M202 HydrophobicContact CE2-CB 3.98Å; F108-M202 HydrophobicContact CB-CE 4.14Å; F108-M202 HydrophobicContact CD1-CB 3.92Å; F108-M202 HydrophobicContact CD1-CE 4.3Å; F108-M202 HydrophobicContact CD1-CG 3.79Å; F108-M202 HydrophobicContact CE1-CB 3.97Å; F108-M202 HydrophobicContact CE1-CG 3.63Å; F108-M202 HydrophobicContact CG-CE 4.08Å; F108-M202 HydrophobicContact CG-CG 4.36Å; F108-M202 HydrophobicContact CZ-CG 4.08Å; F122-M202 HydrophobicContact CE1-SD 4.28Å; F122-M202 HydrophobicContact CZ-CE 4.1Å; F122-M202 HydrophobicContact CZ-SD 3.7Å; I126-M202 HydrophobicContact CG2-SD 3.86Å; S198-M202 VanDerWaalsContact O-CB 3.31Å; S198-M202 WeakPolarHBondContact O-CB 3.13Å; S198-M202 VanDerWaalsContact O-CG 3.22Å; S198-M202 WeakPolarHBondContact O-CG 3.37Å; S198-M202 PolarHBondContact O-N 3.3Å; L199-M202 PolarHBondContact O-N 3.49Å; M202-L205 PolarHBondContact O-N 3.44Å; M202-T206 VanDerWaalsContact O-CB 3.32Å; M202-T206 WeakPolarHBondContact O-CB 3.23Å; M202-T206 PolarHBondContact O-N 2.62Å; M202-T206 PolarHBondContact O-OG1 2.73Å
203	A	98.1	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-44.9	175.8	0	0	0	0	0	111.7	F105 F168 L199 L200 L201 T206 Y207 V211	F105-A203 HydrophobicContact CE2-CB 3.78Å; F105-A203 HydrophobicContact CZ-CB 3.65Å; F168-A203 HydrophobicContact CZ-CB 4.11Å; L199-A203 WeakPolarHBondContact O-CB 3.41Å; L199-A203 PolarHBondContact O-N 2.76Å; L200-A203 WeakPolarHBondContact O-CB 3.34Å; L200-A203 PolarHBondContact O-N 3.29Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.85Å; A203-T206 PolarHBondContact O-N 3.04Å; A203-Y207 WeakPolarHBondContact O-CB 3.45Å; A203-Y207 WeakPolarHBondContact O-CD2 3.26Å; A203-Y207 PolarHBondContact O-N 3.31Å; A203-V211 HydrophobicContact CB-CG1 4.2Å; A203-V211 HydrophobicContact CB-CG2 4.29Å
204	V	98.2	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-45.5	176.2	171.8	0	0	0	0	111.8	F133 F134 L200 L201 T206 Y207 P208 V211 L213	F133-V204 HydrophobicContact CD1-CG1 3.62Å; F133-V204 HydrophobicContact CE1-CG1 3.45Å; F133-V204 VanDerWaalsContact CE1-CG1 3.45Å; F133-V204 HydrophobicContact CG-CG1 4.5Å; F133-V204 HydrophobicContact CZ-CG1 4.22Å; F134-V204 HydrophobicContact CE1-CG1 4.33Å; F134-V204 HydrophobicContact CE2-CG1 4.26Å; F134-V204 HydrophobicContact CZ-CB 4.37Å; F134-V204 HydrophobicContact CZ-CG1 3.76Å; F134-V204 HydrophobicContact CZ-CG2 3.94Å; L200-V204 WeakPolarHBondContact O-CG2 3.47Å; L200-V204 PolarHBondContact O-N 3.2Å; L201-V204 PolarHBondContact O-N 3.03Å; V204-T206 PolarHBondContact O-N 3.12Å; V204-Y207 CarbonylContact O-C 3.54Å; V204-Y207 VanDerWaalsContact O-C 3.32Å; V204-Y207 PolarHBondContact O-N 3.48Å; V204-P208 WeakPolarHBondContact O-CA 3.14Å; V204-P208 WeakPolarHBondContact O-CD 3.49Å; V204-V211 HydrophobicContact CG2-CB 4.17Å; V204-V211 HydrophobicContact CG2-CG1 3.69Å; V204-L213 HydrophobicContact CG2-CD1 3.87Å; V204-L213 HydrophobicContact CG2-CD2 4.25Å; V204-L213 HydrophobicContact CG2-CG 3.71Å
205	L	97.4	Very high	97.8	Very high	16 Å²	16	14.1 Å²	14.1	8%	0.084	7%	0.074	C	C	.	.	H	α-helix	trans	-73	-18.4	-177	-67.4	169.4	0	0	0	113.3	F98 I100 I126 K129 A130 F133 L201 M202	F98-L205 HydrophobicContact CE1-CB 4.45Å; F98-L205 HydrophobicContact CE1-CD1 4.12Å; I100-L205 HydrophobicContact CD1-CB 3.56Å; I100-L205 HydrophobicContact CD1-CD1 4.42Å; I100-L205 HydrophobicContact CG1-CB 4.16Å; I100-L205 PolarHBondContact N-O 3.42Å; I126-L205 HydrophobicContact CB-CD1 4.36Å; K129-L205 HydrophobicContact CB-CD1 3.99Å; K129-L205 HydrophobicContact CB-CD2 4.12Å; A130-L205 HydrophobicContact CB-CD1 4.36Å; F133-L205 HydrophobicContact CB-CD2 4.47Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.43Å; L201-L205 PolarHBondContact O-N 2.96Å; M202-L205 PolarHBondContact O-N 3.44Å
206	T	97	Very high	97.8	Very high	15 Å²	15	13.5 Å²	13.5	9%	0.092	7%	0.071	C	C	.	.	H	α-helix	trans	-87.4	-40.5	171.6	-52.3	0	0	0	0	111	I100 F105 M202 A203 V204 P208	I100-T206 WeakPolarHBondContact CG2-OG1 3.48Å; I100-T206 WeakPolarHBondContact O-CG2 3.36Å; F105-T206 HydrophobicContact CB-CG2 3.84Å; F105-T206 HydrophobicContact CG-CG2 4.37Å; M202-T206 VanDerWaalsContact O-CB 3.32Å; M202-T206 WeakPolarHBondContact O-CB 3.23Å; M202-T206 PolarHBondContact O-N 2.62Å; M202-T206 PolarHBondContact O-OG1 2.73Å; A203-T206 PolarHBondContact O-N 3.04Å; V204-T206 PolarHBondContact O-N 3.12Å; T206-P208 VanDerWaalsContact C-CD 3.42Å; T206-P208 WeakPolarHBondContact O-CD 3.17Å
207	Y	96.7	Very high	97.7	Very high	13 Å²	13	13.8 Å²	13.8	5%	0.051	7%	0.073	C	C	.	.			trans	-126.6	61.4	-173.1	-52.5	-74.5	0	0	0	112.6	E102 F105 P174 A203 V204 T209 Y210 V211	E102-Y207 WeakPolarHBondContact CG-OH 3.44Å; E102-Y207 WeakPolarHBondContact OE2-CE1 3.46Å; E102-Y207 PolarHBondContact OE2-OH 2.71Å; F105-Y207 AromaticContact CD1-CE2 3.62Å; F105-Y207 HydrophobicContact CD1-CE2 3.62Å; F105-Y207 AromaticContact CE1-CE2 3.95Å; F105-Y207 HydrophobicContact CE1-CE2 3.95Å; F105-Y207 HydrophobicContact CG-CE2 4.23Å; P174-Y207 HydrophobicContact CB-CD1 4.21Å; P174-Y207 HydrophobicContact CB-CD2 3.75Å; P174-Y207 HydrophobicContact CB-CE2 4.28Å; P174-Y207 HydrophobicContact CB-CG 3.69Å; P174-Y207 HydrophobicContact CG-CD2 3.68Å; P174-Y207 HydrophobicContact CG-CE2 4.05Å; P174-Y207 HydrophobicContact CG-CG 4.17Å; P174-Y207 WeakPolarHBondContact O-CE1 3.49Å; A203-Y207 WeakPolarHBondContact O-CB 3.45Å; A203-Y207 WeakPolarHBondContact O-CD2 3.26Å; A203-Y207 PolarHBondContact O-N 3.31Å; V204-Y207 CarbonylContact O-C 3.54Å; V204-Y207 VanDerWaalsContact O-C 3.32Å; V204-Y207 PolarHBondContact O-N 3.48Å; Y207-T209 PolarHBondContact O-N 3.33Å; Y207-Y210 HydrophobicContact CD1-CD2 4.36Å; Y207-Y210 PolarHBondContact O-N 2.86Å; Y207-V211 PolarHBondContact O-N 3.16Å
208	P	96	Very high	97.6	Very high	48 Å²	48	14 Å²	14	31%	0.312	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.7	-168.4	24.1	-35.3	0	0	0	114.3	F133 V204 T206	F133-P208 HydrophobicContact CD2-CB 4.33Å; F133-P208 HydrophobicContact CE2-CB 3.5Å; F133-P208 HydrophobicContact CZ-CB 3.81Å; V204-P208 WeakPolarHBondContact O-CA 3.14Å; V204-P208 WeakPolarHBondContact O-CD 3.49Å; T206-P208 VanDerWaalsContact C-CD 3.42Å; T206-P208 WeakPolarHBondContact O-CD 3.17Å
209	T	95	Very high	97.6	Very high	84 Å²	84	14 Å²	14	52%	0.515	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-8.9	178.2	54.2	0	0	0	0	113.7	Y207 F212	Y207-T209 PolarHBondContact O-N 3.33Å; T209-F212 VanDerWaalsContact O-CZ 3.32Å; T209-F212 WeakPolarHBondContact O-CZ 3.4Å
210	Y	96.2	Very high	97.5	Very high	70 Å²	70	14.1 Å²	14.1	28%	0.275	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-14.6	-170.8	-47.9	-44.4	0	0	0	113.5	N175 R179 F180 Y207	N175-Y210 VanDerWaalsContact C-CD2 3.47Å; N175-Y210 WeakPolarHBondContact O-CD1 3.34Å; N175-Y210 VanDerWaalsContact O-CG 3.28Å; R179-Y210 CarbonylContact C-O 3.57Å; R179-Y210 VanDerWaalsContact CA-O 3.27Å; R179-Y210 WeakPolarHBondContact CA-O 3.22Å; R179-Y210 HydrophobicContact CG-CD1 4.37Å; F180-Y210 PolarHBondContact N-O 2.9Å; Y207-Y210 HydrophobicContact CD1-CD2 4.36Å; Y207-Y210 PolarHBondContact O-N 2.86Å
211	V	98.3	Very high	97.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	177.4	-176.8	0	0	0	0	109.8	P174 F180 F182 A203 V204 Y207	P174-V211 HydrophobicContact CB-CG2 3.58Å; P174-V211 HydrophobicContact CG-CG2 3.36Å; F180-V211 HydrophobicContact CB-CG1 4.4Å; F180-V211 HydrophobicContact CB-CG2 4.36Å; F182-V211 HydrophobicContact CD2-CG1 4.15Å; F182-V211 HydrophobicContact CE2-CG1 4.02Å; A203-V211 HydrophobicContact CB-CG1 4.2Å; A203-V211 HydrophobicContact CB-CG2 4.29Å; V204-V211 HydrophobicContact CG2-CB 4.17Å; V204-V211 HydrophobicContact CG2-CG1 3.69Å; Y207-V211 PolarHBondContact O-N 3.16Å
212	F	98.6	Very high	97	Very high	30 Å²	30	18.6 Å²	18.6	13%	0.132	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139	-178.4	-49.7	-75.9	0	0	0	109.6	T141 I143 F180 V181 F182 T209	T141-F212 HydrophobicContact CG2-CD1 3.57Å; T141-F212 HydrophobicContact CG2-CE1 3.83Å; T141-F212 HydrophobicContact CG2-CG 4.23Å; I143-F212 HydrophobicContact CD1-CD2 3.49Å; I143-F212 VanDerWaalsContact CD1-CD2 3.49Å; I143-F212 HydrophobicContact CD1-CE2 3.75Å; I143-F212 HydrophobicContact CD1-CG 4Å; I143-F212 HydrophobicContact CD1-CZ 4.42Å; I143-F212 HydrophobicContact CG1-CD2 4.1Å; I143-F212 HydrophobicContact CG1-CE2 3.91Å; I143-F212 HydrophobicContact CG1-CZ 4.13Å; I143-F212 HydrophobicContact CG2-CE2 4.24Å; F180-F212 VanDerWaalsContact O-CD2 3.26Å; F180-F212 WeakPolarHBondContact O-CD2 3.43Å; F180-F212 PolarHBondContact O-N 3.02Å; V181-F212 CarbonylContact C-O 3.51Å; V181-F212 WeakPolarHBondContact CA-O 3.21Å; V181-F212 HydrophobicContact CG2-CB 4Å; V181-F212 HydrophobicContact CG2-CD2 4.03Å; V181-F212 HydrophobicContact CG2-CG 4.44Å; F182-F212 PolarHBondContact N-O 2.57Å; T209-F212 VanDerWaalsContact O-CZ 3.32Å; T209-F212 WeakPolarHBondContact O-CZ 3.4Å
213	L	98.8	Very high	96.7	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129	174.2	-55.1	-174.9	0	0	0	108.7	F134 F182 F186 L200 L201 V204 L255 P256	F134-L213 HydrophobicContact CE1-CB 4.33Å; F134-L213 HydrophobicContact CE2-CD1 4.06Å; F134-L213 HydrophobicContact CZ-CB 3.89Å; F134-L213 HydrophobicContact CZ-CD1 3.75Å; F134-L213 HydrophobicContact CZ-CG 3.85Å; F182-L213 HydrophobicContact CB-CD2 3.6Å; F182-L213 HydrophobicContact CD2-CD2 3.73Å; F182-L213 HydrophobicContact CG-CD2 4Å; F182-L213 WeakPolarHBondContact O-CA 3.19Å; F186-L213 HydrophobicContact CE2-CB 4.23Å; F186-L213 HydrophobicContact CE2-CD1 4.33Å; F186-L213 HydrophobicContact CZ-CB 3.96Å; F186-L213 HydrophobicContact CZ-CD2 4.17Å; F186-L213 HydrophobicContact CZ-CG 4.44Å; L200-L213 HydrophobicContact CB-CD1 4.09Å; L200-L213 HydrophobicContact CB-CD2 4.06Å; L200-L213 HydrophobicContact CD1-CD2 4.3Å; L201-L213 HydrophobicContact CD2-CD1 4.05Å; V204-L213 HydrophobicContact CG2-CD1 3.87Å; V204-L213 HydrophobicContact CG2-CD2 4.25Å; V204-L213 HydrophobicContact CG2-CG 3.71Å; L213-L255 HydrophobicContact CB-CD2 3.99Å; L213-L255 HydrophobicContact CD1-CD2 4.46Å; L213-P256 WeakPolarHBondContact O-CD 3.22Å
214	N	98.7	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150	166.4	-64	-26.7	0	0	0	109.4	F182 N183 G184 F186 P256 G258	F182-N214 PolarHBondContact O-N 2.85Å; N183-N214 PolarHBondContact OD1-ND2 2.95Å; G184-N214 VanDerWaalsContact CA-O 3.23Å; G184-N214 WeakPolarHBondContact CA-O 3.13Å; G184-N214 PolarHBondContact N-O 3.47Å; G184-N214 VanDerWaalsContact N-O 3.11Å; F186-N214 VanDerWaalsContact CZ-O 3.22Å; F186-N214 WeakPolarHBondContact CZ-O 3.27Å; N214-P256 CarbonylContact C-O 3.45Å; N214-P256 WeakPolarHBondContact CA-O 3.16Å; N214-G258 PolarHBondContact OD1-O 2.91Å
215	R	98.5	Very high	96.1	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.011	13%	0.126	C	C	.	.			trans	-69.1	133.2	170.7	-164.8	177.7	-179.7	175.6	-1.4	109.8	E219 F252 L255 P256 H269 L289 S290 L315	R215-E219 HydrophobicContact CG-CB 3.77Å; R215-E219 PolarHBondContact NE-O 2.8Å; R215-E219 PolarHBondContact NH2-O 3.04Å; R215-F252 WeakPolarHBondContact CD-O 3.36Å; R215-F252 PolarHBondContact NE-O 3.24Å; R215-L255 HydrophobicContact CB-CB 3.85Å; R215-L255 HydrophobicContact CB-CD1 4.37Å; R215-L255 HydrophobicContact CG-CB 4.37Å; R215-L255 HydrophobicContact CG-CD1 4.4Å; R215-P256 PolarHBondContact N-O 2.9Å; R215-H269 WeakPolarHBondContact O-CB 3.27Å; R215-L289 PolarHBondContact NH1-O 3.06Å; R215-L289 PolarHBondContact NH2-O 3.16Å; R215-S290 PolarHBondContact NH2-O 3.11Å; R215-L315 HydrophobicContact CB-CD1 4.49Å; R215-L315 HydrophobicContact CG-CD1 4.05Å; R215-L315 WeakPolarHBondContact O-CD2 3.38Å
216	G	98.3	Very high	95.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.			trans	-103.3	-179.8	164.8	0	0	0	0	0	111.8	D185 H218 E219 H269	D185-G216 WeakPolarHBondContact OD1-CA 3.49Å; G216-H218 VanDerWaalsContact C-N 3.26Å; G216-H218 PolarHBondContact O-N 3.19Å; G216-E219 WeakPolarHBondContact CA-OE2 3.33Å; G216-E219 PolarHBondContact N-OE2 2.76Å; G216-E219 PolarHBondContact O-N 2.83Å; G216-H269 VanDerWaalsContact CA-CD2 3.46Å; G216-H269 WeakPolarHBondContact CA-CD2 3.2Å; G216-H269 VanDerWaalsContact CA-CG 3.42Å
217	N	96.5	Very high	95	Very high	5 Å²	5	31 Å²	31	3%	0.027	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.7	-179.5	67.3	-68.6	0	0	0	112.7	D185 E219 V223 H269 L315 W316 H358	D185-N217 PolarHBondContact OD1-N 3.21Å; D185-N217 PolarHBondContact OD1-OD1 2.97Å; D185-N217 PolarHBondContact OD2-OD1 2.92Å; D185-N217 VanDerWaalsContact OD2-OD1 3.1Å; N217-E219 VanDerWaalsContact C-N 3.35Å; N217-V223 WeakPolarHBondContact O-CG2 3.45Å; N217-H269 PolarHBondContact N-CD2 3.21Å; N217-H269 PolarHBondContact OD1-NE2 2.87Å; N217-L315 HydrophobicContact CB-CB 4.15Å; N217-W316 HydrophobicContact CB-CD2 3.93Å; N217-W316 HydrophobicContact CB-CG 4.25Å; N217-W316 HydrophobicContact CB-CZ2 3.85Å; N217-H358 VanDerWaalsContact CG-CE1 3.47Å; N217-H358 PolarHBondContact OD1-CE1 3.25Å; N217-H358 PolarHBondContact OD1-ND1 3.13Å
218	H	96.8	Very high	94.6	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.032	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.1	173.1	-74.5	-98	0	0	0	113.8	H158 D185 V187 D188 G216 D220 V223 N224 Y227	H158-H218 AromaticContact CE1-CD2 3.52Å; H158-H218 AromaticContact CE1-CG 3.73Å; H158-H218 AromaticContact CE1-NE2 3.76Å; D185-H218 VanDerWaalsContact CG-CD2 3.49Å; D185-H218 WeakPolarHBondContact OD1-CB 3.2Å; D185-H218 IonicContact OD1-CD2 3.76Å; D185-H218 PolarHBondContact OD1-CD2 3.44Å; D185-H218 IonicContact OD1-CG 3.67Å; D185-H218 PolarHBondContact OD1-N 3.2Å; D185-H218 IonicContact OD2-CD2 3.66Å; D185-H218 PolarHBondContact OD2-CD2 2.77Å; D185-H218 IonicContact OD2-CG 2.77Å; V187-H218 HydrophobicContact CG2-CB 4.29Å; V187-H218 VanDerWaalsContact CG2-O 3.27Å; V187-H218 WeakPolarHBondContact CG2-O 3.48Å; D188-H218 VanDerWaalsContact CB-ND1 3.28Å; D188-H218 WeakPolarHBondContact CB-ND1 3.48Å; D188-H218 IonicContact OD2-CE1 3.7Å; D188-H218 IonicContact OD2-CG 3.43Å; D188-H218 IonicContact OD2-ND1 3.69Å; D188-H218 PolarHBondContact OD2-ND1 3.49Å; G216-H218 VanDerWaalsContact C-N 3.26Å; G216-H218 PolarHBondContact O-N 3.19Å; H218-D220 PolarHBondContact O-N 3.34Å; H218-V223 HydrophobicContact CB-CG1 4.39Å; H218-V223 WeakPolarHBondContact ND1-CG1 3.36Å; H218-N224 PolarHBondContact O-ND2 2.89Å; H218-Y227 AromaticContact CE1-CD2 3.47Å; H218-Y227 VanDerWaalsContact CE1-CD2 3.47Å; H218-Y227 WeakPolarHBondContact CE1-CD2 3.36Å; H218-Y227 AromaticContact CE1-CG 3.77Å
219	E	98	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-81.7	60.2	164.9	-74.5	70.4	-133.7	0	0	110.1	D185 F186 R215 G216 N217 F252 L255	D185-E219 PolarHBondContact N-OE1 2.78Å; D185-E219 PolarHBondContact N-OE2 3.14Å; F186-E219 HydrophobicContact CD2-CG 4.11Å; F186-E219 WeakPolarHBondContact CD2-OE1 3.48Å; F186-E219 HydrophobicContact CE2-CG 4.36Å; F186-E219 PolarHBondContact N-OE1 3Å; R215-E219 HydrophobicContact CG-CB 3.77Å; R215-E219 PolarHBondContact NE-O 2.8Å; R215-E219 PolarHBondContact NH2-O 3.04Å; G216-E219 WeakPolarHBondContact CA-OE2 3.33Å; G216-E219 PolarHBondContact N-OE2 2.76Å; G216-E219 PolarHBondContact O-N 2.83Å; N217-E219 VanDerWaalsContact C-N 3.35Å; E219-F252 VanDerWaalsContact C-CD2 3.44Å; E219-F252 HydrophobicContact CB-CB 3.96Å; E219-F252 HydrophobicContact CB-CD1 3.68Å; E219-F252 HydrophobicContact CB-CD2 4.13Å; E219-F252 HydrophobicContact CB-CE1 4.17Å; E219-F252 HydrophobicContact CB-CG 3.65Å; E219-F252 HydrophobicContact CG-CD1 3.57Å; E219-F252 HydrophobicContact CG-CE1 3.68Å; E219-F252 HydrophobicContact CG-CG 4.09Å; E219-F252 HydrophobicContact CG-CZ 4.27Å; E219-F252 WeakPolarHBondContact O-CB 3.36Å; E219-L255 HydrophobicContact CB-CD1 4.18Å; E219-L255 HydrophobicContact CG-CD1 3.79Å
220	D	96.1	Very high	94.7	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	12%	0.123	C	C	.	.	S	Bend	trans	-154.2	122.8	-179.8	-174.8	-44	0	0	0	109.3	H218 M222 V223 N224 S291 L292	H218-D220 PolarHBondContact O-N 3.34Å; D220-M222 VanDerWaalsContact C-N 3.28Å; D220-M222 PolarHBondContact O-N 3.15Å; D220-M222 WeakPolarHBondContact OD1-CB 3.1Å; D220-M222 PolarHBondContact OD1-N 2.87Å; D220-V223 HydrophobicContact CB-CB 4.13Å; D220-V223 HydrophobicContact CB-CG2 3.86Å; D220-V223 WeakPolarHBondContact O-CB 3.39Å; D220-V223 PolarHBondContact O-N 3.25Å; D220-N224 PolarHBondContact O-N 3.43Å; D220-N224 PolarHBondContact O-OD1 3.23Å; D220-S291 WeakPolarHBondContact OD1-CB 3.36Å; D220-S291 PolarHBondContact OD1-OG 3.07Å; D220-S291 WeakPolarHBondContact OD2-CA 3.25Å; D220-S291 PolarHBondContact OD2-OG 3.27Å; D220-L292 PolarHBondContact OD2-N 3.04Å
221	I	94.9	Very high	94.7	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.118	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-34.6	-174.5	-61.4	-52.8	0	0	0	112.5	V223 N224 E225 V230 I245 C248 D249 F252	I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 2.9Å; I221-N224 WeakPolarHBondContact O-CB 3.31Å; I221-N224 PolarHBondContact O-N 2.95Å; I221-N224 VanDerWaalsContact O-N 3.11Å; I221-E225 WeakPolarHBondContact O-CG 3.31Å; I221-E225 PolarHBondContact O-N 3.04Å; I221-V230 HydrophobicContact CG2-CG2 4.25Å; I221-I245 HydrophobicContact CD1-CG2 4.21Å; I221-I245 HydrophobicContact CG1-CG2 4.35Å; I221-I245 HydrophobicContact CG2-CG2 3.79Å; I221-C248 HydrophobicContact CD1-CB 4.19Å; I221-D249 HydrophobicContact CD1-CB 4.28Å; I221-D249 HydrophobicContact CG1-CB 3.66Å; I221-F252 HydrophobicContact CD1-CD2 4.18Å; I221-F252 HydrophobicContact CD1-CE2 4.02Å
222	M	90.5	Very high	94.6	Very high	72 Å²	72	29.1 Å²	29.1	36%	0.355	14%	0.137	S	C	.	.	H	α-helix	trans	-66.1	-33.4	177.9	-69.3	-68	-73.7	0	0	111.5	D220 S291	D220-M222 VanDerWaalsContact C-N 3.28Å; D220-M222 PolarHBondContact O-N 3.15Å; D220-M222 WeakPolarHBondContact OD1-CB 3.1Å; D220-M222 PolarHBondContact OD1-N 2.87Å; M222-S291 WeakPolarHBondContact CG-OG 3.3Å
223	V	91.2	Very high	94.5	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-70	-41.8	173.2	178.7	0	0	0	0	109.4	N217 H218 D220 I221 E225 R226 Y227 L293 W316	N217-V223 WeakPolarHBondContact O-CG2 3.45Å; H218-V223 HydrophobicContact CB-CG1 4.39Å; H218-V223 WeakPolarHBondContact ND1-CG1 3.36Å; D220-V223 HydrophobicContact CB-CB 4.13Å; D220-V223 HydrophobicContact CB-CG2 3.86Å; D220-V223 WeakPolarHBondContact O-CB 3.39Å; D220-V223 PolarHBondContact O-N 3.25Å; I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 2.9Å; V223-E225 PolarHBondContact O-N 3.34Å; V223-R226 WeakPolarHBondContact O-CB 3.29Å; V223-R226 PolarHBondContact O-N 3.26Å; V223-Y227 HydrophobicContact CG1-CD2 3.5Å; V223-Y227 HydrophobicContact CG1-CE2 3.86Å; V223-Y227 VanDerWaalsContact O-CD2 3.26Å; V223-Y227 WeakPolarHBondContact O-CD2 3.42Å; V223-Y227 PolarHBondContact O-N 3.08Å; V223-L293 HydrophobicContact CG2-CD1 3.6Å; V223-L293 HydrophobicContact CG2-CG 4.31Å; V223-W316 HydrophobicContact CG2-CH2 4.24Å; V223-W316 HydrophobicContact CG2-CZ2 3.85Å
224	N	94.2	Very high	94.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-31.4	-179.3	-58.6	151.5	0	0	0	115	V187 D188 H218 D220 I221 R226 G228 F229 V230 F252	V187-N224 WeakPolarHBondContact CG2-ND2 3.25Å; D188-N224 VanDerWaalsContact CG-ND2 3.32Å; D188-N224 WeakPolarHBondContact OD1-CA 3.36Å; D188-N224 WeakPolarHBondContact OD2-CA 3.27Å; D188-N224 PolarHBondContact OD2-ND2 3.46Å; H218-N224 PolarHBondContact O-ND2 2.89Å; D220-N224 PolarHBondContact O-N 3.43Å; D220-N224 PolarHBondContact O-OD1 3.23Å; I221-N224 WeakPolarHBondContact O-CB 3.31Å; I221-N224 PolarHBondContact O-N 2.95Å; I221-N224 VanDerWaalsContact O-N 3.11Å; N224-R226 PolarHBondContact O-N 3.47Å; N224-G228 PolarHBondContact O-N 2.84Å; N224-G228 VanDerWaalsContact O-N 3.15Å; N224-F229 HydrophobicContact CB-CB 3.98Å; N224-F229 HydrophobicContact CB-CD1 4.28Å; N224-F229 PolarHBondContact O-N 2.79Å; N224-V230 HydrophobicContact CB-CG2 3.71Å; N224-V230 PolarHBondContact O-N 2.91Å; N224-F252 WeakPolarHBondContact OD1-CE2 3.46Å
225	E	90.9	Very high	94.2	Very high	127 Å²	127	34.7 Å²	34.7	59%	0.593	17%	0.17	S	C	*	.	H	α-helix	trans	-59.4	-32.5	171.5	-74.7	-173.8	162.5	0	0	111.5	I221 V223 V230	I221-E225 WeakPolarHBondContact O-CG 3.31Å; I221-E225 PolarHBondContact O-N 3.04Å; V223-E225 PolarHBondContact O-N 3.34Å; E225-V230 HydrophobicContact CG-CB 4.36Å; E225-V230 HydrophobicContact CG-CG1 4.32Å; E225-V230 HydrophobicContact CG-CG2 4Å
226	R	84.4	Confident	94.1	Very high	133 Å²	133	36.7 Å²	36.7	50%	0.502	18%	0.179	S	C	.	.	H	α-helix	trans	-86.4	-39.6	-178.5	-170.2	175.2	175.2	162.9	-2.7	113.4	Y51 T53 V223 N224	Y51-R226 PolarHBondContact O-NH2 2.88Å; T53-R226 HydrophobicContact CG2-CG 3.39Å; T53-R226 VanDerWaalsContact CG2-NE 3.31Å; V223-R226 WeakPolarHBondContact O-CB 3.29Å; V223-R226 PolarHBondContact O-N 3.26Å; N224-R226 PolarHBondContact O-N 3.47Å
227	Y	86.5	Confident	94	Very high	30 Å²	30	37 Å²	37	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-109.8	4.2	-166.3	-62.1	-66.2	0	0	0	115.5	D188 R189 H218 V223	D188-Y227 VanDerWaalsContact CG-CB 3.49Å; R189-Y227 PolarHBondContact N-O 2.97Å; H218-Y227 AromaticContact CE1-CD2 3.47Å; H218-Y227 VanDerWaalsContact CE1-CD2 3.47Å; H218-Y227 WeakPolarHBondContact CE1-CD2 3.36Å; H218-Y227 AromaticContact CE1-CG 3.77Å; V223-Y227 HydrophobicContact CG1-CD2 3.5Å; V223-Y227 HydrophobicContact CG1-CE2 3.86Å; V223-Y227 VanDerWaalsContact O-CD2 3.26Å; V223-Y227 WeakPolarHBondContact O-CD2 3.42Å; V223-Y227 PolarHBondContact O-N 3.08Å
228	G	89	Confident	93.9	Very high	25 Å²	25	40.9 Å²	40.9	26%	0.258	21%	0.208	S	C	.	.	S	Bend	trans	118	-12.9	154.9	0	0	0	0	0	116.1	D188 N224 V230 K231 E232	D188-G228 PolarHBondContact OD1-N 2.76Å; D188-G228 VanDerWaalsContact OD1-N 3.13Å; N224-G228 PolarHBondContact O-N 2.84Å; N224-G228 VanDerWaalsContact O-N 3.15Å; G228-V230 PolarHBondContact O-N 3.35Å; G228-K231 CarbonylContact O-C 3.55Å; G228-K231 WeakPolarHBondContact O-CB 3.29Å; G228-K231 PolarHBondContact O-N 3.09Å; G228-K231 VanDerWaalsContact O-N 3.16Å; G228-E232 PolarHBondContact O-N 2.92Å
229	F	96.1	Very high	93.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-39	-178.2	179.9	-130.5	0	0	0	112.2	V187 D188 A194 L197 N224 K231 E232 L233 C248 F252	V187-F229 HydrophobicContact CB-CB 4.15Å; V187-F229 HydrophobicContact CB-CD1 3.86Å; V187-F229 HydrophobicContact CB-CD2 4.15Å; V187-F229 HydrophobicContact CB-CE1 4.27Å; V187-F229 HydrophobicContact CB-CG 3.8Å; V187-F229 HydrophobicContact CG1-CD1 4.03Å; V187-F229 HydrophobicContact CG1-CD2 4.26Å; V187-F229 HydrophobicContact CG1-CE1 3.9Å; V187-F229 HydrophobicContact CG1-CE2 4.13Å; V187-F229 HydrophobicContact CG1-CG 4.21Å; V187-F229 HydrophobicContact CG1-CZ 3.94Å; V187-F229 HydrophobicContact CG2-CB 4.41Å; V187-F229 HydrophobicContact CG2-CD1 3.94Å; V187-F229 HydrophobicContact CG2-CE1 4.48Å; V187-F229 HydrophobicContact CG2-CG 4.24Å; D188-F229 WeakPolarHBondContact OD1-CB 3.4Å; D188-F229 PolarHBondContact OD1-N 2.82Å; A194-F229 HydrophobicContact CB-CE2 4.4Å; L197-F229 HydrophobicContact CD2-CZ 4.18Å; N224-F229 HydrophobicContact CB-CB 3.98Å; N224-F229 HydrophobicContact CB-CD1 4.28Å; N224-F229 PolarHBondContact O-N 2.79Å; F229-K231 VanDerWaalsContact C-N 3.28Å; F229-K231 PolarHBondContact O-N 2.83Å; F229-E232 WeakPolarHBondContact O-CB 3.4Å; F229-E232 PolarHBondContact O-N 3.03Å; F229-L233 HydrophobicContact CD1-CD1 4.41Å; F229-L233 HydrophobicContact CD2-CG 4.22Å; F229-L233 HydrophobicContact CE1-CD1 3.95Å; F229-L233 HydrophobicContact CE1-CG 4.43Å; F229-L233 HydrophobicContact CE2-CD1 4.26Å; F229-L233 HydrophobicContact CE2-CD2 3.81Å; F229-L233 HydrophobicContact CE2-CG 3.87Å; F229-L233 HydrophobicContact CZ-CD1 3.88Å; F229-L233 HydrophobicContact CZ-CD2 3.94Å; F229-L233 HydrophobicContact CZ-CG 3.99Å; F229-L233 WeakPolarHBondContact O-CG 3.5Å; F229-L233 PolarHBondContact O-N 3.24Å; F229-C248 HydrophobicContact CE1-CB 4.33Å; F229-F252 HydrophobicContact CD1-CZ 4.42Å; F229-F252 HydrophobicContact CE1-CE2 4.36Å; F229-F252 AromaticContact CE1-CZ 3.92Å; F229-F252 HydrophobicContact CE1-CZ 3.92Å
230	V	96.3	Very high	93.7	Very high	21 Å²	21	52.9 Å²	52.9	13%	0.127	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-37.4	173.3	166.4	0	0	0	0	111.4	I221 N224 E225 G228 S234 I245	I221-V230 HydrophobicContact CG2-CG2 4.25Å; N224-V230 HydrophobicContact CB-CG2 3.71Å; N224-V230 PolarHBondContact O-N 2.91Å; E225-V230 HydrophobicContact CG-CB 4.36Å; E225-V230 HydrophobicContact CG-CG1 4.32Å; E225-V230 HydrophobicContact CG-CG2 4Å; G228-V230 PolarHBondContact O-N 3.35Å; V230-S234 WeakPolarHBondContact O-CB 3.24Å; V230-S234 PolarHBondContact O-N 2.81Å; V230-S234 PolarHBondContact O-OG 2.84Å; V230-I245 HydrophobicContact CG1-CD1 3.9Å; V230-I245 HydrophobicContact CG2-CD1 4.48Å; V230-I245 HydrophobicContact CG2-CG1 4.43Å
231	K	95.1	Very high	93.6	Very high	115 Å²	115	56.6 Å²	56.6	50%	0.5	28%	0.279	S	S	.	.	H	α-helix	trans	-68.1	-40.8	174.8	-174.2	177.2	-179.8	177.5	0	111.1	G228 F229 S234 N235	G228-K231 CarbonylContact O-C 3.55Å; G228-K231 WeakPolarHBondContact O-CB 3.29Å; G228-K231 PolarHBondContact O-N 3.09Å; G228-K231 VanDerWaalsContact O-N 3.16Å; F229-K231 VanDerWaalsContact C-N 3.28Å; F229-K231 PolarHBondContact O-N 2.83Å; K231-S234 PolarHBondContact O-N 2.81Å; K231-N235 WeakPolarHBondContact O-CB 3.39Å; K231-N235 PolarHBondContact O-N 3Å; K231-N235 PolarHBondContact O-ND2 3.1Å
232	E	96.2	Very high	93.8	Very high	15 Å²	15	61.3 Å²	61.3	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-50.6	174	-172.5	-173	135.1	0	0	110.9	T191 S193 A194 G228 F229 S234 N235 K236	T191-E232 VanDerWaalsContact C-OE2 3.23Å; S193-E232 VanDerWaalsContact CB-OE2 3.3Å; S193-E232 WeakPolarHBondContact CB-OE2 3.48Å; S193-E232 PolarHBondContact N-OE1 2.7Å; S193-E232 PolarHBondContact N-OE2 3.19Å; S193-E232 PolarHBondContact OG-OE2 3.3Å; A194-E232 WeakPolarHBondContact CB-OE1 3.39Å; A194-E232 PolarHBondContact N-OE1 3.17Å; G228-E232 PolarHBondContact O-N 2.92Å; F229-E232 WeakPolarHBondContact O-CB 3.4Å; F229-E232 PolarHBondContact O-N 3.03Å; E232-S234 VanDerWaalsContact C-N 3.31Å; E232-S234 PolarHBondContact O-N 3.2Å; E232-N235 PolarHBondContact O-N 3.46Å; E232-K236 HydrophobicContact CG-CD 3.88Å; E232-K236 HydrophobicContact CG-CG 4.4Å; E232-K236 PolarHBondContact O-N 3.33Å; E232-K236 IonicContact OE1-NZ 3.5Å; E232-K236 PolarHBondContact OE1-NZ 3.44Å
233	L	97.5	Very high	94.1	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-41.4	177.1	-67.9	-179.4	0	0	0	111.8	F123 F229 N235 Y237 I245	F123-L233 HydrophobicContact CE1-CD2 3.89Å; F229-L233 HydrophobicContact CD1-CD1 4.41Å; F229-L233 HydrophobicContact CD2-CG 4.22Å; F229-L233 HydrophobicContact CE1-CD1 3.95Å; F229-L233 HydrophobicContact CE1-CG 4.43Å; F229-L233 HydrophobicContact CE2-CD1 4.26Å; F229-L233 HydrophobicContact CE2-CD2 3.81Å; F229-L233 HydrophobicContact CE2-CG 3.87Å; F229-L233 HydrophobicContact CZ-CD1 3.88Å; F229-L233 HydrophobicContact CZ-CD2 3.94Å; F229-L233 HydrophobicContact CZ-CG 3.99Å; F229-L233 WeakPolarHBondContact O-CG 3.5Å; F229-L233 PolarHBondContact O-N 3.24Å; L233-N235 VanDerWaalsContact C-N 3.3Å; L233-N235 PolarHBondContact O-N 2.77Å; L233-Y237 HydrophobicContact CD2-CD2 3.78Å; L233-Y237 HydrophobicContact CD2-CE2 3.91Å; L233-Y237 CarbonylContact O-C 3.29Å; L233-Y237 WeakPolarHBondContact O-CA 3.08Å; L233-Y237 WeakPolarHBondContact O-CB 3.41Å; L233-Y237 PolarHBondContact O-N 2.86Å; L233-I245 HydrophobicContact CD1-CG1 3.98Å
234	S	96	Very high	94.5	Very high	29 Å²	29	61.2 Å²	61.2	20%	0.203	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-38.1	177.2	-64.4	0	0	0	0	112.6	V230 K231 E232 S238	V230-S234 WeakPolarHBondContact O-CB 3.24Å; V230-S234 PolarHBondContact O-N 2.81Å; V230-S234 PolarHBondContact O-OG 2.84Å; K231-S234 PolarHBondContact O-N 2.81Å; E232-S234 VanDerWaalsContact C-N 3.31Å; E232-S234 PolarHBondContact O-N 3.2Å; S234-S238 WeakPolarHBondContact O-CA 3.37Å; S234-S238 PolarHBondContact O-N 3.14Å
235	N	95.7	Very high	94.6	Very high	118 Å²	118	62.7 Å²	62.7	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-76.9	-45.7	-179.3	-69.5	-16.2	0	0	0	112	K231 E232 L233	K231-N235 WeakPolarHBondContact O-CB 3.39Å; K231-N235 PolarHBondContact O-N 3Å; K231-N235 PolarHBondContact O-ND2 3.1Å; E232-N235 PolarHBondContact O-N 3.46Å; L233-N235 VanDerWaalsContact C-N 3.3Å; L233-N235 PolarHBondContact O-N 2.77Å
236	K	96	Very high	95	Very high	45 Å²	45	61.1 Å²	61.1	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-76.7	-33.4	-177.7	-67.7	-177.3	-177.5	173.6	0	112.8	I117 T191 E195 E232	I117-K236 HydrophobicContact CG2-CB 4.28Å; T191-K236 PolarHBondContact O-NZ 3.26Å; E195-K236 IonicContact OE1-NZ 2.76Å; E195-K236 PolarHBondContact OE1-NZ 2.81Å; E195-K236 IonicContact OE2-NZ 2.75Å; E195-K236 PolarHBondContact OE2-NZ 2.73Å; E232-K236 HydrophobicContact CG-CD 3.88Å; E232-K236 HydrophobicContact CG-CG 4.4Å; E232-K236 PolarHBondContact O-N 3.33Å; E232-K236 IonicContact OE1-NZ 3.5Å; E232-K236 PolarHBondContact OE1-NZ 3.44Å
237	Y	96.9	Very high	95.6	Very high	7 Å²	7	55.2 Å²	55.2	3%	0.027	28%	0.284	C	S	.	.			trans	-128.3	46.9	-170.4	-51.7	-71.1	0	0	0	112.7	I117 I118 F123 A194 L233 K239 D240 K241 L244	I117-Y237 HydrophobicContact CG2-CD1 4.42Å; I117-Y237 HydrophobicContact CG2-CE1 3.6Å; I118-Y237 WeakPolarHBondContact O-CE1 3.2Å; I118-Y237 PolarHBondContact O-OH 3.16Å; F123-Y237 HydrophobicContact CD1-CE2 4.09Å; F123-Y237 HydrophobicContact CE1-CE2 4.16Å; A194-Y237 HydrophobicContact CB-CE2 4.16Å; L233-Y237 HydrophobicContact CD2-CD2 3.78Å; L233-Y237 HydrophobicContact CD2-CE2 3.91Å; L233-Y237 CarbonylContact O-C 3.29Å; L233-Y237 WeakPolarHBondContact O-CA 3.08Å; L233-Y237 WeakPolarHBondContact O-CB 3.41Å; L233-Y237 PolarHBondContact O-N 2.86Å; Y237-K239 PolarHBondContact O-N 3.27Å; Y237-D240 PolarHBondContact O-N 3.38Å; Y237-K241 PolarHBondContact O-N 2.87Å; Y237-L244 HydrophobicContact CD1-CD1 3.93Å; Y237-L244 HydrophobicContact CD2-CD1 3.51Å; Y237-L244 HydrophobicContact CE2-CD1 4.28Å; Y237-L244 HydrophobicContact CG-CD1 3.31Å
238	S	93.8	Very high	96.2	Very high	87 Å²	87	53.8 Å²	53.8	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-34.2	-172.2	57.2	0	0	0	0	115.8	S234	S234-S238 WeakPolarHBondContact O-CA 3.37Å; S234-S238 PolarHBondContact O-N 3.14Å
239	K	94.6	Very high	96.6	Very high	193 Å²	193	54 Å²	54	84%	0.839	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.5	179.6	-65.4	-178.5	-179.8	177.6	0	114.2	Y237	Y237-K239 PolarHBondContact O-N 3.27Å
240	D	95.5	Very high	96.7	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	5.9	-169.8	-66.7	-75.7	0	0	0	113.3	T120 Y237 N242 N243 L244	T120-D240 HydrophobicContact CG2-CB 3.65Å; Y237-D240 PolarHBondContact O-N 3.38Å; D240-N242 VanDerWaalsContact C-N 3.28Å; D240-N242 PolarHBondContact O-N 3.39Å; D240-N242 VanDerWaalsContact O-N 3.11Å; D240-N243 WeakPolarHBondContact O-CB 3.39Å; D240-N243 PolarHBondContact O-N 2.64Å; D240-L244 HydrophobicContact CB-CG 4.5Å; D240-L244 PolarHBondContact O-N 2.69Å
241	K	95.3	Very high	96.8	Very high	80 Å²	80	57.8 Å²	57.8	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-48.4	-44.5	-173.6	68.5	-179.6	-173.1	173	0	113.8	Y237 N243 L244 I245	Y237-K241 PolarHBondContact O-N 2.87Å; K241-N243 VanDerWaalsContact C-N 3.35Å; K241-N243 PolarHBondContact O-N 3.48Å; K241-L244 PolarHBondContact O-N 2.86Å; K241-I245 WeakPolarHBondContact O-CB 3.25Å; K241-I245 WeakPolarHBondContact O-CD1 3.39Å; K241-I245 WeakPolarHBondContact O-CG1 3.46Å; K241-I245 PolarHBondContact O-N 2.98Å
242	N	97.2	Very high	96.9	Very high	121 Å²	121	52.3 Å²	52.3	65%	0.647	27%	0.265	S	S	*	.	H	α-helix	trans	-67.6	-38.5	-177.2	-66.8	-14.5	0	0	0	111.3	D240 H246	D240-N242 VanDerWaalsContact C-N 3.28Å; D240-N242 PolarHBondContact O-N 3.39Å; D240-N242 VanDerWaalsContact O-N 3.11Å; N242-H246 WeakPolarHBondContact O-CB 3.36Å; N242-H246 PolarHBondContact O-N 2.69Å; N242-H246 VanDerWaalsContact O-N 3.16Å
243	N	98	Very high	96.9	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	26%	0.264	S	S	.	.	H	α-helix	trans	-67.5	-44.2	175.5	179.9	60.6	0	0	0	110.7	D240 K241 H246 L247	D240-N243 WeakPolarHBondContact O-CB 3.39Å; D240-N243 PolarHBondContact O-N 2.64Å; K241-N243 VanDerWaalsContact C-N 3.35Å; K241-N243 PolarHBondContact O-N 3.48Å; N243-H246 WeakPolarHBondContact O-CB 3.45Å; N243-H246 PolarHBondContact O-N 3.09Å; N243-L247 WeakPolarHBondContact O-CG 3.28Å; N243-L247 PolarHBondContact O-N 3.35Å
244	L	98.4	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-41.4	178.2	-67.3	177.7	0	0	0	112.6	T120 F123 L127 Y237 D240 K241 H246 L247 C248	T120-L244 HydrophobicContact CG2-CD1 4.42Å; T120-L244 HydrophobicContact CG2-CD2 4.47Å; F123-L244 HydrophobicContact CD1-CD1 4.12Å; F123-L244 HydrophobicContact CD1-CD2 3.94Å; F123-L244 HydrophobicContact CE1-CD1 4.47Å; F123-L244 HydrophobicContact CE1-CD2 4.46Å; L127-L244 HydrophobicContact CD1-CD2 4.1Å; Y237-L244 HydrophobicContact CD1-CD1 3.93Å; Y237-L244 HydrophobicContact CD2-CD1 3.51Å; Y237-L244 HydrophobicContact CE2-CD1 4.28Å; Y237-L244 HydrophobicContact CG-CD1 3.31Å; D240-L244 HydrophobicContact CB-CG 4.5Å; D240-L244 PolarHBondContact O-N 2.69Å; K241-L244 PolarHBondContact O-N 2.86Å; L244-H246 VanDerWaalsContact C-N 3.29Å; L244-H246 PolarHBondContact O-N 2.87Å; L244-L247 PolarHBondContact O-N 3.13Å; L244-C248 WeakPolarHBondContact O-CB 3.45Å; L244-C248 PolarHBondContact O-N 3.46Å; L244-C248 PolarHBondContact O-SG 2.98Å; L244-C248 VanDerWaalsContact O-SG 3.36Å
245	I	98	Very high	97	Very high	32 Å²	32	50.8 Å²	50.8	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-57	-46	173.9	-70.8	163.2	0	0	0	110.3	I221 V230 L233 K241 L247 C248 D249	I221-I245 HydrophobicContact CD1-CG2 4.21Å; I221-I245 HydrophobicContact CG1-CG2 4.35Å; I221-I245 HydrophobicContact CG2-CG2 3.79Å; V230-I245 HydrophobicContact CG1-CD1 3.9Å; V230-I245 HydrophobicContact CG2-CD1 4.48Å; V230-I245 HydrophobicContact CG2-CG1 4.43Å; L233-I245 HydrophobicContact CD1-CG1 3.98Å; K241-I245 WeakPolarHBondContact O-CB 3.25Å; K241-I245 WeakPolarHBondContact O-CD1 3.39Å; K241-I245 WeakPolarHBondContact O-CG1 3.46Å; K241-I245 PolarHBondContact O-N 2.98Å; I245-L247 PolarHBondContact O-N 3.1Å; I245-C248 PolarHBondContact O-N 3.08Å; I245-D249 PolarHBondContact O-N 2.97Å
246	H	97.8	Very high	97.2	Very high	93 Å²	93	45.2 Å²	45.2	43%	0.431	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-38.1	177	-178.5	65.2	0	0	0	113.3	N242 N243 L244 K250	N242-H246 WeakPolarHBondContact O-CB 3.36Å; N242-H246 PolarHBondContact O-N 2.69Å; N242-H246 VanDerWaalsContact O-N 3.16Å; N243-H246 WeakPolarHBondContact O-CB 3.45Å; N243-H246 PolarHBondContact O-N 3.09Å; L244-H246 VanDerWaalsContact C-N 3.29Å; L244-H246 PolarHBondContact O-N 2.87Å; H246-K250 VanDerWaalsContact NE2-CE 3.29Å; H246-K250 WeakPolarHBondContact NE2-CE 3.37Å; H246-K250 PolarHBondContact NE2-NZ 2.91Å; H246-K250 WeakPolarHBondContact O-CG 2.98Å; H246-K250 PolarHBondContact O-N 3.01Å
247	L	98.5	Very high	97.3	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-38.8	176.2	-68.6	177.4	0	0	0	112.2	T124 L127 N128 N243 L244 I245 K250 L251	T124-L247 HydrophobicContact CG2-CD1 3.77Å; L127-L247 HydrophobicContact CB-CB 4.3Å; L127-L247 HydrophobicContact CD1-CB 3.89Å; L127-L247 HydrophobicContact CD1-CD1 4.43Å; N128-L247 WeakPolarHBondContact OD1-CD2 3.12Å; N243-L247 WeakPolarHBondContact O-CG 3.28Å; N243-L247 PolarHBondContact O-N 3.35Å; L244-L247 PolarHBondContact O-N 3.13Å; I245-L247 PolarHBondContact O-N 3.1Å; L247-K250 PolarHBondContact O-N 2.79Å; L247-L251 WeakPolarHBondContact O-CB 3.17Å; L247-L251 PolarHBondContact O-N 2.85Å
248	C	98.4	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-43.3	173	-72.1	0	0	0	0	111.5	I221 F229 L244 I245 K250 L251 F252	I221-C248 HydrophobicContact CD1-CB 4.19Å; F229-C248 HydrophobicContact CE1-CB 4.33Å; L244-C248 WeakPolarHBondContact O-CB 3.45Å; L244-C248 PolarHBondContact O-N 3.46Å; L244-C248 PolarHBondContact O-SG 2.98Å; L244-C248 VanDerWaalsContact O-SG 3.36Å; I245-C248 PolarHBondContact O-N 3.08Å; C248-K250 PolarHBondContact O-N 3.5Å; C248-L251 WeakPolarHBondContact O-CB 3.15Å; C248-L251 PolarHBondContact O-N 3.3Å; C248-F252 HydrophobicContact CB-CE2 4.09Å; C248-F252 HydrophobicContact CB-CZ 4.15Å; C248-F252 WeakPolarHBondContact O-CB 3.27Å; C248-F252 WeakPolarHBondContact O-CD1 3.21Å; C248-F252 WeakPolarHBondContact O-CD2 3.41Å; C248-F252 WeakPolarHBondContact O-CG 3.47Å; C248-F252 PolarHBondContact O-N 3.45Å
249	D	97.1	Very high	97.6	Very high	31 Å²	31	38.7 Å²	38.7	17%	0.166	19%	0.186	C	C	.	.	H	α-helix	trans	-56.1	-49.6	175.6	-176	44.6	0	0	0	111.8	I221 I245 L251 F252 C253 S290	I221-D249 HydrophobicContact CD1-CB 4.28Å; I221-D249 HydrophobicContact CG1-CB 3.66Å; I245-D249 PolarHBondContact O-N 2.97Å; D249-L251 VanDerWaalsContact C-N 3.34Å; D249-L251 PolarHBondContact O-N 3.35Å; D249-F252 PolarHBondContact O-N 3.12Å; D249-C253 PolarHBondContact O-N 3.42Å; D249-C253 PolarHBondContact O-SG 3.37Å; D249-S290 VanDerWaalsContact CG-OG 3.3Å; D249-S290 PolarHBondContact OD1-OG 2.93Å; D249-S290 PolarHBondContact OD2-OG 3.43Å
250	K	97.8	Very high	97.7	Very high	99 Å²	99	29.9 Å²	29.9	43%	0.43	15%	0.148	S	C	.	.	H	α-helix	trans	-59.9	-43.3	176.6	-73.6	-177.3	176.1	-179.4	0	112.8	T131 H246 L247 C248 C253 S254	T131-K250 HydrophobicContact CG2-CB 4.2Å; H246-K250 VanDerWaalsContact NE2-CE 3.29Å; H246-K250 WeakPolarHBondContact NE2-CE 3.37Å; H246-K250 PolarHBondContact NE2-NZ 2.91Å; H246-K250 WeakPolarHBondContact O-CG 2.98Å; H246-K250 PolarHBondContact O-N 3.01Å; L247-K250 PolarHBondContact O-N 2.79Å; C248-K250 PolarHBondContact O-N 3.5Å; K250-C253 PolarHBondContact O-N 2.87Å; K250-S254 PolarHBondContact O-N 3.32Å
251	L	98.6	Very high	97.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-49.9	176.1	174	67	0	0	0	110.4	L127 A130 T131 F134 L197 L201 L247 C248 D249 C253 S254 L255	L127-L251 HydrophobicContact CD2-CD2 3.62Å; A130-L251 HydrophobicContact CB-CD1 3.84Å; T131-L251 WeakPolarHBondContact OG1-CA 3.22Å; F134-L251 HydrophobicContact CD2-CD1 3.92Å; F134-L251 HydrophobicContact CE2-CD1 4.38Å; L197-L251 HydrophobicContact CD1-CD2 4.06Å; L197-L251 HydrophobicContact CD2-CD2 4.2Å; L197-L251 HydrophobicContact CG-CD2 4.43Å; L201-L251 HydrophobicContact CD1-CD2 3.71Å; L201-L251 HydrophobicContact CD2-CD1 4.21Å; L201-L251 HydrophobicContact CD2-CD2 4.08Å; L201-L251 HydrophobicContact CG-CD2 4.41Å; L247-L251 WeakPolarHBondContact O-CB 3.17Å; L247-L251 PolarHBondContact O-N 2.85Å; C248-L251 WeakPolarHBondContact O-CB 3.15Å; C248-L251 PolarHBondContact O-N 3.3Å; D249-L251 VanDerWaalsContact C-N 3.34Å; D249-L251 PolarHBondContact O-N 3.35Å; L251-C253 VanDerWaalsContact C-N 3.32Å; L251-C253 PolarHBondContact O-N 2.95Å; L251-S254 WeakPolarHBondContact O-CA 3.06Å; L251-S254 WeakPolarHBondContact O-CB 3.07Å; L251-S254 PolarHBondContact O-N 3.34Å; L251-S254 PolarHBondContact O-OG 2.74Å; L251-L255 PolarHBondContact O-N 2.93Å
252	F	98.3	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-39.1	-178.3	-63.9	-17.6	0	0	0	112.5	V187 L197 R215 E219 I221 N224 F229 C248 D249 S254 L255	V187-F252 HydrophobicContact CG1-CZ 4.34Å; V187-F252 HydrophobicContact CG2-CZ 4.18Å; L197-F252 HydrophobicContact CD1-CE1 4.44Å; L197-F252 HydrophobicContact CD2-CE1 4.27Å; R215-F252 WeakPolarHBondContact CD-O 3.36Å; R215-F252 PolarHBondContact NE-O 3.24Å; E219-F252 VanDerWaalsContact C-CD2 3.44Å; E219-F252 HydrophobicContact CB-CB 3.96Å; E219-F252 HydrophobicContact CB-CD1 3.68Å; E219-F252 HydrophobicContact CB-CD2 4.13Å; E219-F252 HydrophobicContact CB-CE1 4.17Å; E219-F252 HydrophobicContact CB-CG 3.65Å; E219-F252 HydrophobicContact CG-CD1 3.57Å; E219-F252 HydrophobicContact CG-CE1 3.68Å; E219-F252 HydrophobicContact CG-CG 4.09Å; E219-F252 HydrophobicContact CG-CZ 4.27Å; E219-F252 WeakPolarHBondContact O-CB 3.36Å; I221-F252 HydrophobicContact CD1-CD2 4.18Å; I221-F252 HydrophobicContact CD1-CE2 4.02Å; N224-F252 WeakPolarHBondContact OD1-CE2 3.46Å; F229-F252 HydrophobicContact CD1-CZ 4.42Å; F229-F252 HydrophobicContact CE1-CE2 4.36Å; F229-F252 AromaticContact CE1-CZ 3.92Å; F229-F252 HydrophobicContact CE1-CZ 3.92Å; C248-F252 HydrophobicContact CB-CE2 4.09Å; C248-F252 HydrophobicContact CB-CZ 4.15Å; C248-F252 WeakPolarHBondContact O-CB 3.27Å; C248-F252 WeakPolarHBondContact O-CD1 3.21Å; C248-F252 WeakPolarHBondContact O-CD2 3.41Å; C248-F252 WeakPolarHBondContact O-CG 3.47Å; C248-F252 PolarHBondContact O-N 3.45Å; D249-F252 PolarHBondContact O-N 3.12Å; F252-S254 PolarHBondContact O-N 3.05Å; F252-L255 HydrophobicContact CD1-CD1 4.23Å; F252-L255 PolarHBondContact O-N 2.72Å
253	C	95.9	Very high	97.2	Very high	10 Å²	10	21.3 Å²	21.3	7%	0.068	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-30.7	171.4	-66.7	0	0	0	0	113.5	D249 K250 L251 R286 S290	D249-C253 PolarHBondContact O-N 3.42Å; D249-C253 PolarHBondContact O-SG 3.37Å; K250-C253 PolarHBondContact O-N 2.87Å; L251-C253 VanDerWaalsContact C-N 3.32Å; L251-C253 PolarHBondContact O-N 2.95Å; C253-R286 WeakPolarHBondContact O-CG 3.27Å; C253-S290 WeakPolarHBondContact SG-CA 3.22Å
254	S	97.6	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-84.6	-20.3	-174.9	75.6	0	0	0	0	113.8	F134 K250 L251 F252 R286	F134-S254 WeakPolarHBondContact CB-OG 3.36Å; K250-S254 PolarHBondContact O-N 3.32Å; L251-S254 WeakPolarHBondContact O-CA 3.06Å; L251-S254 WeakPolarHBondContact O-CB 3.07Å; L251-S254 PolarHBondContact O-N 3.34Å; L251-S254 PolarHBondContact O-OG 2.74Å; F252-S254 PolarHBondContact O-N 3.05Å; S254-R286 VanDerWaalsContact O-CZ 3.3Å; S254-R286 PolarHBondContact O-NE 3.12Å; S254-R286 PolarHBondContact O-NH2 3.47Å
255	L	98.5	Very high	96.7	Very high	2 Å²	2	20 Å²	20	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	-61.6	138.6	-177.4	-69.7	173.2	0	0	0	112.4	F134 F186 L213 R215 E219 L251 F252 R286	F134-L255 HydrophobicContact CD1-CD2 4.37Å; F134-L255 HydrophobicContact CD2-CD2 3.85Å; F134-L255 HydrophobicContact CE1-CD2 4.29Å; F134-L255 HydrophobicContact CE2-CD2 3.75Å; F134-L255 HydrophobicContact CG-CD2 4.18Å; F134-L255 HydrophobicContact CZ-CD2 3.98Å; F186-L255 HydrophobicContact CE2-CD1 4.22Å; L213-L255 HydrophobicContact CB-CD2 3.99Å; L213-L255 HydrophobicContact CD1-CD2 4.46Å; R215-L255 HydrophobicContact CB-CB 3.85Å; R215-L255 HydrophobicContact CB-CD1 4.37Å; R215-L255 HydrophobicContact CG-CB 4.37Å; R215-L255 HydrophobicContact CG-CD1 4.4Å; E219-L255 HydrophobicContact CB-CD1 4.18Å; E219-L255 HydrophobicContact CG-CD1 3.79Å; L251-L255 PolarHBondContact O-N 2.93Å; F252-L255 HydrophobicContact CD1-CD1 4.23Å; F252-L255 PolarHBondContact O-N 2.72Å; L255-R286 VanDerWaalsContact O-CD 3.24Å; L255-R286 WeakPolarHBondContact O-CD 3.43Å; L255-R286 PolarHBondContact O-NE 3.27Å
256	P	98.4	Very high	96.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	9%	0.086	C	C	.	.			trans	-53.4	149.6	165.4	-26.1	34.6	0	0	0	112.2	F134 Q137 N139 L213 N214 R215	F134-P256 HydrophobicContact CD1-CG 4.38Å; Q137-P256 HydrophobicContact CB-CG 4.18Å; N139-P256 CarbonylContact O-C 3.59Å; L213-P256 WeakPolarHBondContact O-CD 3.22Å; N214-P256 CarbonylContact C-O 3.45Å; N214-P256 WeakPolarHBondContact CA-O 3.16Å; R215-P256 PolarHBondContact N-O 2.9Å
257	I	97.8	Very high	96.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.066	C	C	.	.	S	Bend	trans	-96.8	-5.9	-177.1	59.4	-177.9	0	0	0	113.2	N139 L140 L281 L284 V311 L314	N139-I257 HydrophobicContact CB-CD1 4.03Å; N139-I257 HydrophobicContact CB-CG1 4.09Å; N139-I257 WeakPolarHBondContact O-CG1 3.31Å; N139-I257 PolarHBondContact O-N 3.48Å; L140-I257 HydrophobicContact CD2-CG1 3.89Å; I257-L281 HydrophobicContact CD1-CB 4.29Å; I257-L281 HydrophobicContact CD1-CD2 3.4Å; I257-L281 HydrophobicContact CD1-CG 4.46Å; I257-L284 HydrophobicContact CD1-CD2 4.11Å; I257-V311 HydrophobicContact CD1-CG2 4.2Å; I257-V311 HydrophobicContact CG2-CG1 4.08Å; I257-L314 HydrophobicContact CD1-CD1 4.46Å
258	G	98.3	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	177.4	177.5	0	0	0	0	0	112.4	L140 T141 N214 I267	L140-G258 WeakPolarHBondContact CA-O 3.32Å; T141-G258 PolarHBondContact N-O 3.36Å; N214-G258 PolarHBondContact OD1-O 2.91Å; G258-I267 CarbonylContact C-O 3.47Å; G258-I267 WeakPolarHBondContact CA-O 3.4Å
259	A	98.5	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.6	176.6	0	0	0	0	0	111.8	T141 I143 I267	T141-A259 CarbonylContact O-C 3.57Å; T141-A259 WeakPolarHBondContact O-CA 3.24Å; I143-A259 HydrophobicContact CD1-CB 4.05Å; A259-I267 HydrophobicContact CB-CB 4.25Å; A259-I267 HydrophobicContact CB-CD1 4.41Å; A259-I267 PolarHBondContact N-O 2.88Å; A259-I267 PolarHBondContact O-N 3.43Å
260	I	97.8	Very high	96.9	Very high	8 Å²	8	12.1 Å²	12.1	4%	0.041	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.4	174.9	-61.3	165.6	0	0	0	107.4	L140 T141 I143 I265 F266 F351	L140-I260 HydrophobicContact CB-CD1 4.39Å; L140-I260 HydrophobicContact CD1-CD1 4.08Å; T141-I260 PolarHBondContact O-N 2.79Å; I143-I260 PolarHBondContact N-O 3.29Å; I260-I265 CarbonylContact C-O 3.45Å; I260-I265 WeakPolarHBondContact CA-O 3.44Å; I260-F266 HydrophobicContact CG1-CD2 4.13Å; I260-F351 HydrophobicContact CD1-CZ 4.04Å; I260-F351 HydrophobicContact CG1-CE2 4.42Å; I260-F351 HydrophobicContact CG1-CZ 4.06Å; I260-F351 HydrophobicContact CG2-CE1 3.96Å; I260-F351 HydrophobicContact CG2-CZ 3.74Å
261	V	94.9	Very high	96.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.5	179.1	-171.2	0	0	0	0	109.2	I143 L145 L151 E263 R264 I265 I267	I143-V261 HydrophobicContact CB-CG2 4.39Å; I143-V261 CarbonylContact O-C 3.6Å; I143-V261 WeakPolarHBondContact O-CA 3.44Å; L145-V261 HydrophobicContact CD1-CG1 3.56Å; L145-V261 HydrophobicContact CG-CG1 3.82Å; L151-V261 HydrophobicContact CD2-CB 4.41Å; L151-V261 HydrophobicContact CD2-CG1 3.96Å; L151-V261 HydrophobicContact CD2-CG2 3.51Å; V261-E263 PolarHBondContact O-N 3.02Å; V261-R264 PolarHBondContact O-N 2.96Å; V261-I265 HydrophobicContact CB-CB 4.15Å; V261-I265 PolarHBondContact N-O 2.95Å; V261-I265 PolarHBondContact O-N 3.18Å; V261-I267 HydrophobicContact CG2-CD1 3.65Å; V261-I267 HydrophobicContact CG2-CG1 4.26Å
262	N	91.8	Very high	96.9	Very high	20 Å²	20	7.4 Å²	7.4	11%	0.107	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	32.2	177.2	-69.7	63.4	0	0	0	114.5	I143 L145 R264 L429 I431	I143-N262 PolarHBondContact O-N 2.64Å; I143-N262 PolarHBondContact O-OD1 3.39Å; L145-N262 VanDerWaalsContact CB-OD1 3.25Å; L145-N262 WeakPolarHBondContact CB-OD1 3.33Å; L145-N262 WeakPolarHBondContact CG-OD1 3.12Å; L145-N262 PolarHBondContact N-OD1 3.35Å; L145-N262 PolarHBondContact O-ND2 3.41Å; N262-R264 WeakPolarHBondContact O-CG 3.49Å; N262-R264 PolarHBondContact O-N 2.95Å; N262-R264 VanDerWaalsContact O-N 3.09Å; N262-L429 WeakPolarHBondContact ND2-CD2 3.4Å; N262-I431 HydrophobicContact CB-CD1 3.44Å; N262-I431 VanDerWaalsContact CB-CD1 3.44Å
263	E	91.7	Very high	96.9	Very high	67 Å²	67	7.6 Å²	7.6	31%	0.313	4%	0.036	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	30.6	-173.7	-52.4	-170.6	164.2	0	0	113.8	V261 F351 K422	V261-E263 PolarHBondContact O-N 3.02Å; E263-F351 VanDerWaalsContact O-CD1 3.27Å; E263-F351 WeakPolarHBondContact O-CD1 3.27Å; E263-K422 IonicContact OE1-NZ 3.4Å; E263-K422 PolarHBondContact OE1-NZ 2.89Å; E263-K422 WeakPolarHBondContact OE2-CE 3.09Å; E263-K422 IonicContact OE2-NZ 2.74Å; E263-K422 PolarHBondContact OE2-NZ 3.16Å
264	R	90.3	Very high	96.9	Very high	45 Å²	45	13.2 Å²	13.2	17%	0.17	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-32.3	-173.9	-76	-60.4	-154.9	-109	0.2	114.6	V261 N262 F351 S352 M353 K418 C419	V261-R264 PolarHBondContact O-N 2.96Å; N262-R264 WeakPolarHBondContact O-CG 3.49Å; N262-R264 PolarHBondContact O-N 2.95Å; N262-R264 VanDerWaalsContact O-N 3.09Å; R264-F351 CarbonylContact O-C 3.59Å; R264-F351 WeakPolarHBondContact O-CA 3.28Å; R264-F351 WeakPolarHBondContact O-CB 3.43Å; R264-S352 PolarHBondContact O-N 3.09Å; R264-M353 PolarHBondContact O-N 3.42Å; R264-K418 PolarHBondContact NE-O 3.03Å; R264-K418 PolarHBondContact NH2-O 3Å; R264-C419 HydrophobicContact CG-CB 4.21Å
265	I	95.3	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	177.4	-56.1	173.8	0	0	0	108.1	I260 V261 I267 M353 I355 V395 L417 I431 V433	I260-I265 CarbonylContact C-O 3.45Å; I260-I265 WeakPolarHBondContact CA-O 3.44Å; V261-I265 HydrophobicContact CB-CB 4.15Å; V261-I265 PolarHBondContact N-O 2.95Å; V261-I265 PolarHBondContact O-N 3.18Å; I265-I267 HydrophobicContact CG2-CG1 4.27Å; I265-M353 WeakPolarHBondContact CA-O 3.34Å; I265-I355 HydrophobicContact CD1-CD1 4.5Å; I265-I355 HydrophobicContact CG2-CB 4.35Å; I265-I355 HydrophobicContact CG2-CD1 3.65Å; I265-I355 HydrophobicContact CG2-CG1 3.66Å; I265-V395 HydrophobicContact CD1-CG1 3.81Å; I265-V395 HydrophobicContact CD1-CG2 4.29Å; I265-L417 HydrophobicContact CD1-CD1 4.07Å; I265-L417 HydrophobicContact CG1-CD1 4.03Å; I265-I431 HydrophobicContact CD1-CG2 3.89Å; I265-V433 HydrophobicContact CD1-CG2 3.81Å
266	F	98.2	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.9	170.1	-178.2	-121.6	0	0	0	109.6	L140 I260 C268 I272 L278 L314 F345 F351 M353 I354 I355	L140-F266 HydrophobicContact CD2-CE2 4.25Å; I260-F266 HydrophobicContact CG1-CD2 4.13Å; F266-C268 HydrophobicContact CD1-CB 4.4Å; F266-C268 HydrophobicContact CE1-CB 3.65Å; F266-C268 HydrophobicContact CZ-CB 3.89Å; F266-I272 HydrophobicContact CD1-CG2 4.3Å; F266-I272 HydrophobicContact CE1-CG2 4Å; F266-L278 HydrophobicContact CD2-CD2 4.41Å; F266-L278 HydrophobicContact CE2-CD2 3.85Å; F266-L278 HydrophobicContact CZ-CD2 4.02Å; F266-L314 HydrophobicContact CE1-CD2 3.82Å; F266-L314 HydrophobicContact CZ-CD1 4.27Å; F266-L314 HydrophobicContact CZ-CD2 3.84Å; F266-F345 HydrophobicContact CB-CE1 4.2Å; F266-F345 HydrophobicContact CB-CZ 4.49Å; F266-F345 AromaticContact CD1-CE1 3.8Å; F266-F345 HydrophobicContact CD1-CE1 3.8Å; F266-F345 AromaticContact CD1-CZ 3.7Å; F266-F345 HydrophobicContact CD1-CZ 3.7Å; F266-F345 HydrophobicContact CE1-CZ 4.04Å; F266-F345 HydrophobicContact CG-CE1 4.17Å; F266-F345 HydrophobicContact CG-CZ 4.05Å; F266-F351 HydrophobicContact CB-CD2 3.66Å; F266-F351 HydrophobicContact CB-CE2 3.81Å; F266-F351 HydrophobicContact CD2-CE2 4.28Å; F266-F351 HydrophobicContact CG-CD2 4.49Å; F266-F351 HydrophobicContact CG-CE2 4.28Å; F266-M353 PolarHBondContact N-O 3.28Å; F266-I354 HydrophobicContact CD1-CG2 4.44Å; F266-I354 CarbonylContact O-C 3.59Å; F266-I354 WeakPolarHBondContact O-CA 3.3Å; F266-I355 PolarHBondContact O-N 3.35Å
267	I	98.7	Very high	96.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.3	175.7	-49	177.3	0	0	0	108.3	I153 V181 N183 G258 A259 V261 I265 I355	I153-I267 HydrophobicContact CD1-CD1 3.55Å; I153-I267 HydrophobicContact CD1-CG1 4.37Å; I153-I267 HydrophobicContact CG1-CD1 4.05Å; I153-I267 HydrophobicContact CG2-CG2 4.47Å; V181-I267 HydrophobicContact CG1-CD1 4.31Å; V181-I267 HydrophobicContact CG1-CG2 4.25Å; V181-I267 HydrophobicContact CG2-CD1 4.28Å; N183-I267 HydrophobicContact CB-CG2 4.44Å; N183-I267 WeakPolarHBondContact OD1-CG2 3.46Å; G258-I267 CarbonylContact C-O 3.47Å; G258-I267 WeakPolarHBondContact CA-O 3.4Å; A259-I267 HydrophobicContact CB-CB 4.25Å; A259-I267 HydrophobicContact CB-CD1 4.41Å; A259-I267 PolarHBondContact N-O 2.88Å; A259-I267 PolarHBondContact O-N 3.43Å; V261-I267 HydrophobicContact CG2-CD1 3.65Å; V261-I267 HydrophobicContact CG2-CG1 4.26Å; I265-I267 HydrophobicContact CG2-CG1 4.27Å; I267-I355 VanDerWaalsContact CA-O 3.31Å; I267-I355 WeakPolarHBondContact CA-O 3.47Å; I267-I355 HydrophobicContact CG1-CB 4.37Å
268	C	98.6	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.			trans	-139.6	158.8	172.2	62.7	0	0	0	0	109.2	N183 F266 L314 I355 R356	N183-C268 PolarHBondContact ND2-O 3.08Å; F266-C268 HydrophobicContact CD1-CB 4.4Å; F266-C268 HydrophobicContact CE1-CB 3.65Å; F266-C268 HydrophobicContact CZ-CB 3.89Å; C268-L314 HydrophobicContact CB-CD2 3.98Å; C268-I355 PolarHBondContact N-O 3.18Å; C268-R356 WeakPolarHBondContact O-CA 3.41Å
269	H	98.8	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-70.8	-60.5	-177.3	174.5	68.7	0	0	0	112.3	D156 N183 D185 R215 G216 N217 L315 S357 H358	D156-H269 IonicContact OD1-CE1 3.56Å; D156-H269 PolarHBondContact OD1-CE1 3.28Å; D156-H269 VanDerWaalsContact OD1-CE1 3.26Å; D156-H269 IonicContact OD1-ND1 3.68Å; N183-H269 PolarHBondContact O-ND1 3.04Å; D185-H269 IonicContact OD1-CE1 2.71Å; D185-H269 PolarHBondContact OD1-CE1 2.89Å; D185-H269 IonicContact OD1-NE2 2.59Å; D185-H269 PolarHBondContact OD1-NE2 3.03Å; D185-H269 IonicContact OD2-CE1 3.9Å; D185-H269 PolarHBondContact OD2-CE1 2.9Å; D185-H269 VanDerWaalsContact OD2-CE1 3.3Å; D185-H269 IonicContact OD2-NE2 3.5Å; D185-H269 PolarHBondContact OD2-NE2 2.78Å; R215-H269 WeakPolarHBondContact O-CB 3.27Å; G216-H269 VanDerWaalsContact CA-CD2 3.46Å; G216-H269 WeakPolarHBondContact CA-CD2 3.2Å; G216-H269 VanDerWaalsContact CA-CG 3.42Å; N217-H269 PolarHBondContact N-CD2 3.21Å; N217-H269 PolarHBondContact OD1-NE2 2.87Å; H269-L315 HydrophobicContact CB-CD2 4.1Å; H269-L315 PolarHBondContact CD2-O 2.67Å; H269-S357 CarbonylContact O-C 3.48Å; H269-S357 VanDerWaalsContact O-C 3.29Å; H269-S357 WeakPolarHBondContact O-CA 3.42Å; H269-S357 PolarHBondContact O-N 3.18Å; H269-H358 AromaticContact CD2-ND1 3.83Å; H269-H358 WeakPolarHBondContact NE2-CB 3.32Å; H269-H358 AromaticContact NE2-CG 3.59Å; H269-H358 AromaticContact NE2-ND1 3.17Å; H269-H358 PolarHBondContact NE2-ND1 3.43Å; H269-H358 VanDerWaalsContact NE2-ND1 3.17Å; H269-H358 WeakPolarHBondContact O-CB 3.28Å
270	G	98.6	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-82.5	-98.5	176.8	0	0	0	0	0	110.8	L314 S317 R356	G270-L314 CarbonylContact C-O 3.6Å; G270-L314 WeakPolarHBondContact CA-O 3.33Å; G270-L314 PolarHBondContact N-O 2.97Å; G270-S317 CarbonylContact C-O 3.53Å; G270-R356 WeakPolarHBondContact O-CB 3.46Å; G270-R356 WeakPolarHBondContact O-CD 3.49Å; G270-R356 PolarHBondContact O-NE 2.82Å; G270-R356 PolarHBondContact O-NH1 2.9Å
271	G	98.2	Very high	96.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.			trans	-166	-169	-176.3	0	0	0	0	0	112.5	D313 L314 S317	G271-D313 CarbonylContact O-C 3.53Å; G271-L314 PolarHBondContact N-O 3.48Å; G271-L314 WeakPolarHBondContact O-CA 3.39Å; G271-L314 WeakPolarHBondContact O-CD2 3.32Å; G271-S317 PolarHBondContact N-O 3.38Å
272	I	98.6	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.			trans	-99.3	172.6	179.5	60.9	163.8	0	0	0	111	F266 T276 L314 C335 F337 I341 F345 I354	F266-I272 HydrophobicContact CD1-CG2 4.3Å; F266-I272 HydrophobicContact CE1-CG2 4Å; I272-T276 HydrophobicContact CB-CG2 4.45Å; I272-T276 HydrophobicContact CG2-CG2 4.19Å; I272-L314 HydrophobicContact CG2-CD2 4.42Å; I272-C335 PolarHBondContact O-SG 2.77Å; I272-F337 HydrophobicContact CD1-CD2 4.44Å; I272-F337 HydrophobicContact CG1-CD2 3.77Å; I272-F337 HydrophobicContact CG1-CE2 3.98Å; I272-F337 HydrophobicContact CG1-CG 4.1Å; I272-F337 HydrophobicContact CG1-CZ 4.48Å; I272-F337 WeakPolarHBondContact O-CB 3.49Å; I272-F337 WeakPolarHBondContact O-CD1 3.35Å; I272-F337 WeakPolarHBondContact O-CG 3.33Å; I272-I341 HydrophobicContact CD1-CG2 4.06Å; I272-I341 HydrophobicContact CG1-CG2 4.41Å; I272-F345 HydrophobicContact CD1-CB 3.38Å; I272-F345 HydrophobicContact CD1-CD1 3.9Å; I272-F345 HydrophobicContact CD1-CD2 4.29Å; I272-F345 HydrophobicContact CD1-CG 3.6Å; I272-F345 HydrophobicContact CG2-CD1 4.32Å; I272-F345 HydrophobicContact CG2-CD2 4.4Å; I272-F345 HydrophobicContact CG2-CE1 4.19Å; I272-F345 HydrophobicContact CG2-CE2 4.28Å; I272-F345 HydrophobicContact CG2-CG 4.41Å; I272-F345 HydrophobicContact CG2-CZ 4.17Å; I272-I354 HydrophobicContact CD1-CD1 3.7Å; I272-I354 HydrophobicContact CG1-CD1 3.99Å; I272-I354 HydrophobicContact CG2-CD1 4.05Å
273	S	97.9	Very high	96.5	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	20%	0.202	C	C	.	.			trans	-132	173.7	167.4	79.9	0	0	0	0	110.4	H275 T276 D313 C335	S273-H275 PolarHBondContact O-N 2.94Å; S273-H275 PolarHBondContact OG-N 2.99Å; S273-H275 VanDerWaalsContact OG-N 3.12Å; S273-T276 PolarHBondContact N-OG1 3.38Å; S273-T276 PolarHBondContact O-N 2.81Å; S273-T276 PolarHBondContact O-OG1 3.39Å; S273-D313 WeakPolarHBondContact CB-OD2 3.28Å; S273-D313 PolarHBondContact OG-OD2 2.75Å; S273-C335 WeakPolarHBondContact CB-SG 3.5Å
274	K	96.9	Very high	96.6	Very high	127 Å²	127	39.1 Å²	39.1	55%	0.552	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.4	171.8	66.5	175.2	170.1	179	0	113.9	C325 I341	K274-C325 HydrophobicContact CB-CB 3.92Å; K274-C325 HydrophobicContact CD-CB 4.02Å; K274-C325 HydrophobicContact CG-CB 3.93Å; K274-I341 HydrophobicContact CB-CD1 3.99Å
275	H	95.7	Very high	96.7	Very high	110 Å²	110	41 Å²	41	51%	0.509	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-3.8	-177.8	-61.8	-49.6	0	0	0	112.9	S273 D277 Q310	S273-H275 PolarHBondContact O-N 2.94Å; S273-H275 PolarHBondContact OG-N 2.99Å; S273-H275 VanDerWaalsContact OG-N 3.12Å; H275-D277 PolarHBondContact O-N 3.39Å; H275-Q310 PolarHBondContact O-NE2 3.02Å; H275-Q310 PolarHBondContact O-OE1 2.79Å
276	T	97.8	Very high	96.7	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.123	21%	0.206	C	C	.	.			trans	-58	123.2	-179.2	-59.2	0	0	0	0	111	I272 S273 L281 L314 F345	I272-T276 HydrophobicContact CB-CG2 4.45Å; I272-T276 HydrophobicContact CG2-CG2 4.19Å; S273-T276 PolarHBondContact N-OG1 3.38Å; S273-T276 PolarHBondContact O-N 2.81Å; S273-T276 PolarHBondContact O-OG1 3.39Å; T276-L281 HydrophobicContact CG2-CD1 3.94Å; T276-L314 HydrophobicContact CG2-CD2 4.17Å; T276-F345 HydrophobicContact CG2-CD2 4.25Å; T276-F345 HydrophobicContact CG2-CE2 3.73Å
277	D	97	Very high	96.4	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	22%	0.224	S	C	.	.			trans	-134.3	105.9	-175.7	-179.6	-21.1	0	0	0	109.4	H275 V279 K280 L281	H275-D277 PolarHBondContact O-N 3.39Å; D277-V279 PolarHBondContact O-N 3.19Å; D277-V279 WeakPolarHBondContact OD1-CB 3.12Å; D277-V279 PolarHBondContact OD1-N 3.2Å; D277-K280 HydrophobicContact CB-CB 4.2Å; D277-K280 HydrophobicContact CB-CD 4.01Å; D277-K280 HydrophobicContact CB-CG 4.2Å; D277-K280 PolarHBondContact O-N 2.79Å; D277-K280 PolarHBondContact OD1-N 2.82Å; D277-K280 WeakPolarHBondContact OD2-CD 3.48Å; D277-K280 WeakPolarHBondContact OD2-CE 3.48Å; D277-K280 WeakPolarHBondContact OD2-CG 3.06Å; D277-K280 IonicContact OD2-NZ 2.93Å; D277-L281 WeakPolarHBondContact O-CD1 3.2Å; D277-L281 WeakPolarHBondContact O-CG 3.09Å; D277-L281 PolarHBondContact O-N 2.81Å
278	L	96.6	Very high	95.9	Very high	23 Å²	23	50 Å²	50	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-25.9	-176.7	-60.4	-173.5	0	0	0	113.1	L140 F266 L281 K282 F345 T349 F351	L140-L278 HydrophobicContact CD1-CB 4.41Å; L140-L278 HydrophobicContact CD1-CD2 4.03Å; F266-L278 HydrophobicContact CD2-CD2 4.41Å; F266-L278 HydrophobicContact CE2-CD2 3.85Å; F266-L278 HydrophobicContact CZ-CD2 4.02Å; L278-L281 HydrophobicContact CD2-CD1 3.78Å; L278-K282 WeakPolarHBondContact O-CB 3.34Å; L278-K282 VanDerWaalsContact O-CG 3.29Å; L278-K282 WeakPolarHBondContact O-CG 3.46Å; L278-K282 PolarHBondContact O-N 2.87Å; L278-F345 HydrophobicContact CD1-CE2 4.43Å; L278-F345 HydrophobicContact CD1-CZ 4.21Å; L278-F345 HydrophobicContact CD2-CE2 4.1Å; L278-F345 HydrophobicContact CD2-CZ 4.08Å; L278-F345 HydrophobicContact CG-CE2 4.13Å; L278-F345 HydrophobicContact CG-CZ 4.29Å; L278-T349 HydrophobicContact CD1-CG2 3.57Å; L278-T349 HydrophobicContact CG-CG2 4.18Å; L278-F351 HydrophobicContact CD1-CD2 4.49Å; L278-F351 HydrophobicContact CD1-CE2 3.44Å; L278-F351 VanDerWaalsContact CD1-CE2 3.44Å; L278-F351 HydrophobicContact CD1-CZ 3.74Å
279	V	95.5	Very high	95.4	Very high	99 Å²	99	50.2 Å²	50.2	60%	0.6	24%	0.244	S	C	*	.	H	α-helix	trans	-70.3	-44.9	177.7	179.5	0	0	0	0	109.6	D277 K282 L283	D277-V279 PolarHBondContact O-N 3.19Å; D277-V279 WeakPolarHBondContact OD1-CB 3.12Å; D277-V279 PolarHBondContact OD1-N 3.2Å; V279-K282 PolarHBondContact O-N 3.36Å; V279-L283 HydrophobicContact CG1-CD1 4.35Å; V279-L283 WeakPolarHBondContact O-CG 3.35Å; V279-L283 PolarHBondContact O-N 2.8Å
280	K	95.1	Very high	94.7	Very high	89 Å²	89	52.3 Å²	52.3	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-44.6	174.1	-68.8	177.7	-170.9	159.9	0	111.6	D277 K282 L283 L284	D277-K280 HydrophobicContact CB-CB 4.2Å; D277-K280 HydrophobicContact CB-CD 4.01Å; D277-K280 HydrophobicContact CB-CG 4.2Å; D277-K280 PolarHBondContact O-N 2.79Å; D277-K280 PolarHBondContact OD1-N 2.82Å; D277-K280 WeakPolarHBondContact OD2-CD 3.48Å; D277-K280 WeakPolarHBondContact OD2-CE 3.48Å; D277-K280 WeakPolarHBondContact OD2-CG 3.06Å; D277-K280 IonicContact OD2-NZ 2.93Å; K280-K282 VanDerWaalsContact C-N 3.28Å; K280-K282 PolarHBondContact O-N 2.81Å; K280-L283 PolarHBondContact O-N 2.69Å; K280-L284 PolarHBondContact O-N 2.8Å
281	L	96.4	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-38.1	177.1	-74.8	162.1	0	0	0	112.5	N139 L140 I257 T276 D277 L278 L283 L284 Q310 L314	N139-L281 WeakPolarHBondContact CB-O 3.41Å; N139-L281 PolarHBondContact ND2-O 3.06Å; L140-L281 HydrophobicContact CD1-CB 4.24Å; I257-L281 HydrophobicContact CD1-CB 4.29Å; I257-L281 HydrophobicContact CD1-CD2 3.4Å; I257-L281 HydrophobicContact CD1-CG 4.46Å; T276-L281 HydrophobicContact CG2-CD1 3.94Å; D277-L281 WeakPolarHBondContact O-CD1 3.2Å; D277-L281 WeakPolarHBondContact O-CG 3.09Å; D277-L281 PolarHBondContact O-N 2.81Å; L278-L281 HydrophobicContact CD2-CD1 3.78Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 2.58Å; L281-L284 HydrophobicContact CD2-CD2 3.98Å; L281-Q310 HydrophobicContact CD2-CB 3.72Å; L281-Q310 HydrophobicContact CG-CB 4.19Å; L281-L314 HydrophobicContact CD1-CD1 3.72Å; L281-L314 HydrophobicContact CD1-CG 4.4Å; L281-L314 HydrophobicContact CD2-CD1 3.5Å; L281-L314 HydrophobicContact CD2-CG 4.35Å; L281-L314 HydrophobicContact CG-CD1 4.29Å
282	K	96.5	Very high	93.5	Very high	99 Å²	99	53 Å²	53	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-28	175.7	-77.6	-178.8	174.1	-161.5	0	113.5	L140 E142 L278 V279 K280	L140-K282 HydrophobicContact CD1-CG 3.93Å; L140-K282 HydrophobicContact CG-CG 4.37Å; E142-K282 IonicContact OE1-NZ 2.68Å; E142-K282 PolarHBondContact OE1-NZ 3.05Å; L278-K282 WeakPolarHBondContact O-CB 3.34Å; L278-K282 VanDerWaalsContact O-CG 3.29Å; L278-K282 WeakPolarHBondContact O-CG 3.46Å; L278-K282 PolarHBondContact O-N 2.87Å; V279-K282 PolarHBondContact O-N 3.36Å; K280-K282 VanDerWaalsContact C-N 3.28Å; K280-K282 PolarHBondContact O-N 2.81Å
283	L	95	Very high	92.8	Very high	142 Å²	142	57 Å²	57	74%	0.743	29%	0.285	S	S	*	.	H	α-helix	trans	-101.2	-16.5	-172	-64.3	174.4	0	0	0	114.6	V279 K280 L281	V279-L283 HydrophobicContact CG1-CD1 4.35Å; V279-L283 WeakPolarHBondContact O-CG 3.35Å; V279-L283 PolarHBondContact O-N 2.8Å; K280-L283 PolarHBondContact O-N 2.69Å; L281-L283 VanDerWaalsContact C-N 3.29Å; L281-L283 PolarHBondContact O-N 2.58Å
284	L	93	Very high	92.2	Very high	12 Å²	12	63 Å²	63	6%	0.063	31%	0.312	C	S	.	.	S	Bend	trans	-63.5	151.5	-175.1	69	78.8	0	0	0	113	N139 I257 K280 L281 R286 L289 D307 V311	N139-L284 PolarHBondContact ND2-O 2.92Å; I257-L284 HydrophobicContact CD1-CD2 4.11Å; K280-L284 PolarHBondContact O-N 2.8Å; L281-L284 HydrophobicContact CD2-CD2 3.98Å; L284-R286 HydrophobicContact CD1-CB 3.67Å; L284-R286 PolarHBondContact O-N 2.81Å; L284-L289 HydrophobicContact CD1-CD1 4.25Å; L284-D307 HydrophobicContact CB-CB 4.29Å; L284-V311 HydrophobicContact CD1-CG2 4.28Å; L284-V311 HydrophobicContact CD2-CG2 3.51Å
285	N	93	Very high	91.4	Very high	84 Å²	84	58.4 Å²	58.4	45%	0.449	30%	0.295	S	S	.	.			trans	-90.6	92.3	171.9	-178	-8.8	0	0	0	110	F287 K288	N285-F287 PolarHBondContact O-N 3.18Å; N285-F287 WeakPolarHBondContact OD1-CB 3.48Å; N285-F287 WeakPolarHBondContact OD1-CD2 3.34Å; N285-F287 PolarHBondContact OD1-N 3.23Å; N285-K288 PolarHBondContact O-N 3.47Å
286	R	94.1	Very high	90.8	Very high	10 Å²	10	55.9 Å²	55.9	4%	0.038	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-65	-22.7	-177.9	63.9	177.1	-175.2	-78.4	0.7	114.1	F134 Q137 N139 C253 S254 L255 L284 K288 L289	F134-R286 PolarHBondContact O-NH2 2.93Å; Q137-R286 PolarHBondContact O-NH1 2.85Å; Q137-R286 PolarHBondContact O-NH2 3.41Å; N139-R286 VanDerWaalsContact OD1-CD 3.26Å; N139-R286 WeakPolarHBondContact OD1-CD 3.24Å; N139-R286 WeakPolarHBondContact OD1-CG 3.28Å; N139-R286 PolarHBondContact OD1-NH1 3.24Å; C253-R286 WeakPolarHBondContact O-CG 3.27Å; S254-R286 VanDerWaalsContact O-CZ 3.3Å; S254-R286 PolarHBondContact O-NE 3.12Å; S254-R286 PolarHBondContact O-NH2 3.47Å; L255-R286 VanDerWaalsContact O-CD 3.24Å; L255-R286 WeakPolarHBondContact O-CD 3.43Å; L255-R286 PolarHBondContact O-NE 3.27Å; L284-R286 HydrophobicContact CD1-CB 3.67Å; L284-R286 PolarHBondContact O-N 2.81Å; R286-K288 PolarHBondContact O-N 2.78Å; R286-L289 WeakPolarHBondContact O-CB 3.3Å; R286-L289 PolarHBondContact O-N 2.9Å
287	F	92.4	Very high	89.9	Confident	89 Å²	89	60.7 Å²	60.7	39%	0.39	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-69	-14.9	179.3	-53.1	-81.7	0	0	0	113.5	N285 L289	N285-F287 PolarHBondContact O-N 3.18Å; N285-F287 WeakPolarHBondContact OD1-CB 3.48Å; N285-F287 WeakPolarHBondContact OD1-CD2 3.34Å; N285-F287 PolarHBondContact OD1-N 3.23Å; F287-L289 VanDerWaalsContact C-N 3.29Å
288	K	89	Confident	89.1	Confident	92 Å²	92	64.7 Å²	64.7	40%	0.4	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-81.1	-9.5	170.5	-67	-165.1	173.2	-162.3	0	113.2	N285 R286 S290 D300 V303	N285-K288 PolarHBondContact O-N 3.47Å; R286-K288 PolarHBondContact O-N 2.78Å; K288-S290 PolarHBondContact O-N 3.45Å; K288-D300 PolarHBondContact NZ-O 2.92Å; K288-D300 VanDerWaalsContact NZ-O 3.15Å; K288-V303 HydrophobicContact CB-CG2 4.42Å; K288-V303 WeakPolarHBondContact O-CG2 3.05Å
289	L	88	Confident	88.5	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	36%	0.356	C	S	.	.			trans	-102.5	57.1	-174.1	-55.2	176.6	0	0	0	110.8	R215 L284 R286 F287 L292 V303 W308 V311	R215-L289 PolarHBondContact NH1-O 3.06Å; R215-L289 PolarHBondContact NH2-O 3.16Å; L284-L289 HydrophobicContact CD1-CD1 4.25Å; R286-L289 WeakPolarHBondContact O-CB 3.3Å; R286-L289 PolarHBondContact O-N 2.9Å; F287-L289 VanDerWaalsContact C-N 3.29Å; L289-L292 HydrophobicContact CB-CD2 4.04Å; L289-L292 HydrophobicContact CD1-CD2 4.37Å; L289-L292 HydrophobicContact CD2-CD2 4.37Å; L289-V303 HydrophobicContact CD2-CB 4.37Å; L289-V303 HydrophobicContact CD2-CG1 3.26Å; L289-V303 HydrophobicContact CD2-CG2 4.17Å; L289-W308 HydrophobicContact CD2-CB 4.37Å; L289-V311 HydrophobicContact CD1-CB 3.93Å; L289-V311 HydrophobicContact CD1-CG1 4.3Å; L289-V311 HydrophobicContact CD1-CG2 3.46Å; L289-V311 VanDerWaalsContact CD1-CG2 3.46Å
290	S	84.3	Confident	87.7	Confident	43 Å²	43	68.9 Å²	68.9	30%	0.301	37%	0.367	S	S	.	.	S	Bend	trans	-60.2	-57.2	178.6	156.2	0	0	0	0	111.4	R215 D249 C253 K288	R215-S290 PolarHBondContact NH2-O 3.11Å; D249-S290 VanDerWaalsContact CG-OG 3.3Å; D249-S290 PolarHBondContact OD1-OG 2.93Å; D249-S290 PolarHBondContact OD2-OG 3.43Å; C253-S290 WeakPolarHBondContact SG-CA 3.22Å; K288-S290 PolarHBondContact O-N 3.45Å
291	S	86.7	Confident	86.8	Confident	15 Å²	15	70.1 Å²	70.1	11%	0.105	38%	0.378	C	S	.	.			trans	-112.8	133.5	167.1	-172.3	0	0	0	0	111.7	D220 M222 L293 Q294	D220-S291 WeakPolarHBondContact OD1-CB 3.36Å; D220-S291 PolarHBondContact OD1-OG 3.07Å; D220-S291 WeakPolarHBondContact OD2-CA 3.25Å; D220-S291 PolarHBondContact OD2-OG 3.27Å; M222-S291 WeakPolarHBondContact CG-OG 3.3Å; S291-L293 PolarHBondContact OG-N 3.13Å; S291-Q294 PolarHBondContact OG-N 2.93Å
292	L	84.6	Confident	86.2	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.005	41%	0.409	C	S	.	.	S	Bend	trans	-83.9	-23.3	171.3	-63.8	177	0	0	0	111.7	D220 L289 W308 V311 L312 L315	D220-L292 PolarHBondContact OD2-N 3.04Å; L289-L292 HydrophobicContact CB-CD2 4.04Å; L289-L292 HydrophobicContact CD1-CD2 4.37Å; L289-L292 HydrophobicContact CD2-CD2 4.37Å; L292-W308 WeakPolarHBondContact O-CZ2 3.44Å; L292-W308 PolarHBondContact O-NE1 3.4Å; L292-V311 HydrophobicContact CD1-CB 4.47Å; L292-V311 HydrophobicContact CD1-CG1 3.8Å; L292-V311 HydrophobicContact CD2-CB 4.14Å; L292-V311 HydrophobicContact CD2-CG1 4.05Å; L292-L312 HydrophobicContact CB-CD1 3.94Å; L292-L315 HydrophobicContact CD1-CB 4.46Å; L292-L315 HydrophobicContact CD1-CD1 3.56Å; L292-L315 HydrophobicContact CD1-CG 4.22Å
293	L	84.3	Confident	85.6	Confident	84 Å²	84	74.5 Å²	74.5	44%	0.44	39%	0.394	S	S	.	.	S	Bend	trans	-81.5	-21.8	176.3	-62.8	-174.4	0	0	0	112.6	V223 S291 W316 A333	V223-L293 HydrophobicContact CG2-CD1 3.6Å; V223-L293 HydrophobicContact CG2-CG 4.31Å; S291-L293 PolarHBondContact OG-N 3.13Å; L293-W316 HydrophobicContact CD1-CH2 4.2Å; L293-W316 HydrophobicContact CD1-CZ2 4Å; L293-W316 HydrophobicContact CD2-CH2 4.28Å; L293-W316 HydrophobicContact CD2-CZ2 3.8Å; L293-W316 HydrophobicContact CG-CZ2 4.05Å; L293-A333 HydrophobicContact CD2-CB 4.27Å
294	Q	84.4	Confident	85.2	Confident	131 Å²	131	71.7 Å²	71.7	61%	0.612	38%	0.38	S	S	*	.	S	Bend	trans	-133.9	70.6	176.1	-165.4	175.9	20.9	0	0	111.4	S291	S291-Q294 PolarHBondContact OG-N 2.93Å
295	P	80.6	Confident	85	Confident	29 Å²	29	77.2 Å²	77.2	19%	0.188	40%	0.403	C	S	.	.			trans	-65.7	143.1	178.6	28.2	-34.6	0	0	0	111.2	L297 V303 W308	P295-L297 HydrophobicContact CB-CD2 4.46Å; P295-L297 HydrophobicContact CG-CD2 4.16Å; P295-L297 PolarHBondContact O-N 3.17Å; P295-V303 HydrophobicContact CB-CB 4.48Å; P295-V303 HydrophobicContact CB-CG2 4.44Å; P295-W308 HydrophobicContact CB-CG 4.29Å; P295-W308 HydrophobicContact CG-CD2 4.43Å; P295-W308 HydrophobicContact CG-CG 4.48Å; P295-W308 HydrophobicContact CG-CZ2 4.39Å
296	C	82	Confident	84.8	Confident	57 Å²	57	77.7 Å²	77.7	39%	0.385	41%	0.406	S	S	.	.			trans	-68.5	120.3	171.5	-172.5	0	0	0	0	109.4	D298 R302 V303	C296-D298 PolarHBondContact SG-O 3.46Å; C296-D298 VanDerWaalsContact SG-O 3.38Å; C296-R302 CarbonylContact O-C 3.42Å; C296-R302 VanDerWaalsContact O-CA 3.31Å; C296-R302 WeakPolarHBondContact O-CA 3.25Å; C296-V303 HydrophobicContact CB-CG2 4.46Å; C296-V303 PolarHBondContact O-N 3.2Å
297	L	79.4	Confident	84.6	Confident	122 Å²	122	79.5 Å²	79.5	64%	0.639	42%	0.416	S	S	*	.			trans	-101.4	-14.7	-177.4	-59.5	-178.3	0	0	0	113.6	P295 R302	P295-L297 HydrophobicContact CB-CD2 4.46Å; P295-L297 HydrophobicContact CG-CD2 4.16Å; P295-L297 PolarHBondContact O-N 3.17Å; L297-R302 WeakPolarHBondContact O-CB 3.47Å
298	D	80.7	Confident	84.5	Confident	134 Å²	134	77.2 Å²	77.2	72%	0.717	41%	0.405	S	S	*	.	S	Bend	trans	-119.6	154.6	-170.3	-63.2	-44.9	0	0	0	112.8	C296 R302	C296-D298 PolarHBondContact SG-O 3.46Å; C296-D298 VanDerWaalsContact SG-O 3.38Å; D298-R302 PolarHBondContact O-N 2.79Å
299	G	82.9	Confident	84.7	Confident	55 Å²	55	74.9 Å²	74.9	57%	0.567	40%	0.396	S	S	*	.	S	Bend	trans	69.4	-164.9	175.3	0	0	0	0	0	115.2	N301 R302	G299-N301 PolarHBondContact O-N 2.83Å; G299-R302 VanDerWaalsContact O-CB 3.31Å; G299-R302 WeakPolarHBondContact O-CB 3.39Å; G299-R302 VanDerWaalsContact O-CG 3.28Å; G299-R302 WeakPolarHBondContact O-CG 3.5Å; G299-R302 PolarHBondContact O-N 3.29Å; G299-R302 VanDerWaalsContact O-N 3.1Å
300	D	79.1	Confident	85.1	Confident	155 Å²	155	75 Å²	75	83%	0.829	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.2	-177.2	-64.6	-27.6	0	0	0	113.2	K288 R302	K288-D300 PolarHBondContact NZ-O 2.92Å; K288-D300 VanDerWaalsContact NZ-O 3.15Å; D300-R302 VanDerWaalsContact C-N 3.32Å
301	N	76.8	Confident	85.7	Confident	115 Å²	115	73 Å²	73	62%	0.615	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	1.9	176.6	-67.9	-22.4	0	0	0	113	G299 V303	G299-N301 PolarHBondContact O-N 2.83Å; N301-V303 PolarHBondContact O-N 3.5Å
302	R	83.3	Confident	86.1	Confident	172 Å²	172	72.8 Å²	72.8	65%	0.649	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-55.2	136.2	177.1	74.8	-177.5	-178.8	174.2	-2.1	111.3	C296 L297 D298 G299 D300	C296-R302 CarbonylContact O-C 3.42Å; C296-R302 VanDerWaalsContact O-CA 3.31Å; C296-R302 WeakPolarHBondContact O-CA 3.25Å; L297-R302 WeakPolarHBondContact O-CB 3.47Å; D298-R302 PolarHBondContact O-N 2.79Å; G299-R302 VanDerWaalsContact O-CB 3.31Å; G299-R302 WeakPolarHBondContact O-CB 3.39Å; G299-R302 VanDerWaalsContact O-CG 3.28Å; G299-R302 WeakPolarHBondContact O-CG 3.5Å; G299-R302 PolarHBondContact O-N 3.29Å; G299-R302 VanDerWaalsContact O-N 3.1Å; D300-R302 VanDerWaalsContact C-N 3.32Å
303	V	84.1	Confident	86.6	Confident	18 Å²	18	73 Å²	73	11%	0.109	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-87.8	137.3	178	-176.6	0	0	0	0	109	K288 L289 P295 C296 N301 F305 W308	K288-V303 HydrophobicContact CB-CG2 4.42Å; K288-V303 WeakPolarHBondContact O-CG2 3.05Å; L289-V303 HydrophobicContact CD2-CB 4.37Å; L289-V303 HydrophobicContact CD2-CG1 3.26Å; L289-V303 HydrophobicContact CD2-CG2 4.17Å; P295-V303 HydrophobicContact CB-CB 4.48Å; P295-V303 HydrophobicContact CB-CG2 4.44Å; C296-V303 HydrophobicContact CB-CG2 4.46Å; C296-V303 PolarHBondContact O-N 3.2Å; N301-V303 PolarHBondContact O-N 3.5Å; V303-F305 PolarHBondContact O-N 3.43Å; V303-W308 HydrophobicContact CG1-CB 3.73Å
304	N	87.1	Confident	87.3	Confident	84 Å²	84	69 Å²	69	45%	0.449	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-66.5	122.2	169.8	-177.5	-48.6	0	0	0	108.8	N306 D307 W308	N304-N306 PolarHBondContact O-N 2.59Å; N304-N306 WeakPolarHBondContact OD1-CB 3.46Å; N304-N306 PolarHBondContact OD1-N 2.92Å; N304-D307 HydrophobicContact CB-CB 4.06Å; N304-D307 WeakPolarHBondContact CB-OD2 3.46Å; N304-D307 PolarHBondContact O-N 3.38Å; N304-D307 VanDerWaalsContact O-N 3.08Å; N304-D307 PolarHBondContact OD1-N 3.1Å; N304-W308 PolarHBondContact O-N 3.18Å
305	F	87.2	Confident	87.9	Confident	127 Å²	127	62.8 Å²	62.8	56%	0.557	33%	0.331	S	S	*	.	H	α-helix	trans	-54.4	-39.6	-177.8	179.4	-94.8	0	0	0	113.2	V303 W308 Q309	V303-F305 PolarHBondContact O-N 3.43Å; F305-W308 AromaticContact CD2-CE3 3.9Å; F305-W308 HydrophobicContact CD2-CE3 3.9Å; F305-W308 HydrophobicContact CD2-CZ3 4.07Å; F305-W308 AromaticContact CE2-CE3 3.77Å; F305-W308 HydrophobicContact CE2-CE3 3.77Å; F305-W308 AromaticContact CE2-CZ3 3.47Å; F305-W308 HydrophobicContact CE2-CZ3 3.47Å; F305-W308 VanDerWaalsContact CE2-CZ3 3.47Å; F305-W308 HydrophobicContact CZ-CE3 4.39Å; F305-W308 AromaticContact CZ-CZ3 3.99Å; F305-W308 HydrophobicContact CZ-CZ3 3.99Å; F305-Q309 WeakPolarHBondContact O-CB 3.29Å; F305-Q309 PolarHBondContact O-N 2.85Å
306	N	88.9	Confident	88.7	Confident	95 Å²	95	61.9 Å²	61.9	51%	0.508	32%	0.323	S	S	.	.	H	α-helix	trans	-68.4	-42.3	179	-67.4	-42.3	0	0	0	111.4	N304 W308 Q309 Q310	N304-N306 PolarHBondContact O-N 2.59Å; N304-N306 WeakPolarHBondContact OD1-CB 3.46Å; N304-N306 PolarHBondContact OD1-N 2.92Å; N306-W308 VanDerWaalsContact C-N 3.34Å; N306-Q309 PolarHBondContact O-N 3.25Å; N306-Q310 WeakPolarHBondContact O-CG 3.29Å; N306-Q310 PolarHBondContact O-N 3.45Å
307	D	89.8	Confident	89.5	Confident	48 Å²	48	59.1 Å²	59.1	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-40.6	178.2	-61.9	-13.3	0	0	0	110.9	L284 N304 Q310 V311	L284-D307 HydrophobicContact CB-CB 4.29Å; N304-D307 HydrophobicContact CB-CB 4.06Å; N304-D307 WeakPolarHBondContact CB-OD2 3.46Å; N304-D307 PolarHBondContact O-N 3.38Å; N304-D307 VanDerWaalsContact O-N 3.08Å; N304-D307 PolarHBondContact OD1-N 3.1Å; D307-Q310 WeakPolarHBondContact O-CB 3.46Å; D307-Q310 PolarHBondContact O-N 2.79Å; D307-V311 PolarHBondContact O-N 2.71Å
308	W	92.1	Very high	90.4	Very high	40 Å²	40	53.4 Å²	53.4	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-48.9	172.2	170.2	75.7	0	0	0	111.6	L289 L292 P295 V303 N304 F305 N306 Q310 V311 L312	L289-W308 HydrophobicContact CD2-CB 4.37Å; L292-W308 WeakPolarHBondContact O-CZ2 3.44Å; L292-W308 PolarHBondContact O-NE1 3.4Å; P295-W308 HydrophobicContact CB-CG 4.29Å; P295-W308 HydrophobicContact CG-CD2 4.43Å; P295-W308 HydrophobicContact CG-CG 4.48Å; P295-W308 HydrophobicContact CG-CZ2 4.39Å; V303-W308 HydrophobicContact CG1-CB 3.73Å; N304-W308 PolarHBondContact O-N 3.18Å; F305-W308 AromaticContact CD2-CE3 3.9Å; F305-W308 HydrophobicContact CD2-CE3 3.9Å; F305-W308 HydrophobicContact CD2-CZ3 4.07Å; F305-W308 AromaticContact CE2-CE3 3.77Å; F305-W308 HydrophobicContact CE2-CE3 3.77Å; F305-W308 AromaticContact CE2-CZ3 3.47Å; F305-W308 HydrophobicContact CE2-CZ3 3.47Å; F305-W308 VanDerWaalsContact CE2-CZ3 3.47Å; F305-W308 HydrophobicContact CZ-CE3 4.39Å; F305-W308 AromaticContact CZ-CZ3 3.99Å; F305-W308 HydrophobicContact CZ-CZ3 3.99Å; N306-W308 VanDerWaalsContact C-N 3.34Å; W308-Q310 VanDerWaalsContact C-N 3.29Å; W308-Q310 PolarHBondContact O-N 3.15Å; W308-V311 PolarHBondContact O-N 2.72Å; W308-V311 VanDerWaalsContact O-N 3.16Å; W308-L312 HydrophobicContact CH2-CD2 3.63Å; W308-L312 HydrophobicContact CZ2-CD1 4Å; W308-L312 HydrophobicContact CZ2-CD2 3.72Å; W308-L312 HydrophobicContact CZ2-CG 4.32Å; W308-L312 HydrophobicContact CZ3-CD2 4.2Å; W308-L312 WeakPolarHBondContact O-CB 3.46Å; W308-L312 PolarHBondContact O-N 3.49Å
309	Q	93	Very high	91.2	Very high	44 Å²	44	47.6 Å²	47.6	21%	0.206	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-38	-179.7	-172.5	71.5	57	0	0	111.9	F305 N306 V311 L312 D313	F305-Q309 WeakPolarHBondContact O-CB 3.29Å; F305-Q309 PolarHBondContact O-N 2.85Å; N306-Q309 PolarHBondContact O-N 3.25Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.36Å; Q309-L312 PolarHBondContact O-N 3.15Å; Q309-D313 PolarHBondContact NE2-OD1 3.34Å; Q309-D313 PolarHBondContact NE2-OD2 2.84Å; Q309-D313 WeakPolarHBondContact O-CB 3.22Å; Q309-D313 VanDerWaalsContact O-CG 3.29Å; Q309-D313 PolarHBondContact O-N 2.77Å
310	Q	95.6	Very high	91.9	Very high	7 Å²	7	46 Å²	46	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-47	176	-68.9	-59.6	-54.9	0	0	111.6	H275 L281 N306 D307 W308 L314	H275-Q310 PolarHBondContact O-NE2 3.02Å; H275-Q310 PolarHBondContact O-OE1 2.79Å; L281-Q310 HydrophobicContact CD2-CB 3.72Å; L281-Q310 HydrophobicContact CG-CB 4.19Å; N306-Q310 WeakPolarHBondContact O-CG 3.29Å; N306-Q310 PolarHBondContact O-N 3.45Å; D307-Q310 WeakPolarHBondContact O-CB 3.46Å; D307-Q310 PolarHBondContact O-N 2.79Å; W308-Q310 VanDerWaalsContact C-N 3.29Å; W308-Q310 PolarHBondContact O-N 3.15Å; Q310-L314 WeakPolarHBondContact O-CG 3.45Å; Q310-L314 PolarHBondContact O-N 2.89Å
311	V	96.3	Very high	92.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-77	-40.2	-177.6	-172.9	0	0	0	0	111	I257 L284 L289 L292 D307 W308 Q309 D313 L314 L315	I257-V311 HydrophobicContact CD1-CG2 4.2Å; I257-V311 HydrophobicContact CG2-CG1 4.08Å; L284-V311 HydrophobicContact CD1-CG2 4.28Å; L284-V311 HydrophobicContact CD2-CG2 3.51Å; L289-V311 HydrophobicContact CD1-CB 3.93Å; L289-V311 HydrophobicContact CD1-CG1 4.3Å; L289-V311 HydrophobicContact CD1-CG2 3.46Å; L289-V311 VanDerWaalsContact CD1-CG2 3.46Å; L292-V311 HydrophobicContact CD1-CB 4.47Å; L292-V311 HydrophobicContact CD1-CG1 3.8Å; L292-V311 HydrophobicContact CD2-CB 4.14Å; L292-V311 HydrophobicContact CD2-CG1 4.05Å; D307-V311 PolarHBondContact O-N 2.71Å; W308-V311 PolarHBondContact O-N 2.72Å; W308-V311 VanDerWaalsContact O-N 3.16Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.36Å; V311-D313 VanDerWaalsContact C-N 3.29Å; V311-D313 PolarHBondContact O-N 3.08Å; V311-L314 PolarHBondContact O-N 3.33Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 HydrophobicContact CG1-CG 4.24Å; V311-L315 WeakPolarHBondContact O-CG 3.32Å; V311-L315 PolarHBondContact O-N 3.28Å; V311-L315 VanDerWaalsContact O-N 3.1Å
312	L	95.3	Very high	93.6	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-54.3	-48	174.6	-170.8	82.3	0	0	0	111.1	L292 W308 Q309 L315 W316 A333	L292-L312 HydrophobicContact CB-CD1 3.94Å; W308-L312 HydrophobicContact CH2-CD2 3.63Å; W308-L312 HydrophobicContact CZ2-CD1 4Å; W308-L312 HydrophobicContact CZ2-CD2 3.72Å; W308-L312 HydrophobicContact CZ2-CG 4.32Å; W308-L312 HydrophobicContact CZ3-CD2 4.2Å; W308-L312 WeakPolarHBondContact O-CB 3.46Å; W308-L312 PolarHBondContact O-N 3.49Å; Q309-L312 PolarHBondContact O-N 3.15Å; L312-L315 PolarHBondContact O-N 2.79Å; L312-W316 WeakPolarHBondContact O-CB 3.31Å; L312-W316 PolarHBondContact O-N 2.92Å; L312-A333 HydrophobicContact CD1-CB 4.04Å; L312-A333 HydrophobicContact CD2-CB 4.48Å; L312-A333 HydrophobicContact CG-CB 4.38Å
313	D	96.7	Very high	94.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-43.5	-179.6	-72	-14.9	0	0	0	111.6	G271 S273 Q309 V311 L315 W316 S317	G271-D313 CarbonylContact O-C 3.53Å; S273-D313 WeakPolarHBondContact CB-OD2 3.28Å; S273-D313 PolarHBondContact OG-OD2 2.75Å; Q309-D313 PolarHBondContact NE2-OD1 3.34Å; Q309-D313 PolarHBondContact NE2-OD2 2.84Å; Q309-D313 WeakPolarHBondContact O-CB 3.22Å; Q309-D313 VanDerWaalsContact O-CG 3.29Å; Q309-D313 PolarHBondContact O-N 2.77Å; V311-D313 VanDerWaalsContact C-N 3.29Å; V311-D313 PolarHBondContact O-N 3.08Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 2.7Å; D313-W316 PolarHBondContact O-N 2.69Å; D313-S317 WeakPolarHBondContact CA-OG 2.92Å; D313-S317 WeakPolarHBondContact O-CB 3.29Å; D313-S317 PolarHBondContact O-N 2.95Å; D313-S317 PolarHBondContact O-OG 3.07Å
314	L	98	Very high	94.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-31.6	178.1	-77.4	-170.2	0	0	0	114.1	I257 F266 C268 G270 G271 I272 T276 L281 Q310 V311	I257-L314 HydrophobicContact CD1-CD1 4.46Å; F266-L314 HydrophobicContact CE1-CD2 3.82Å; F266-L314 HydrophobicContact CZ-CD1 4.27Å; F266-L314 HydrophobicContact CZ-CD2 3.84Å; C268-L314 HydrophobicContact CB-CD2 3.98Å; G270-L314 CarbonylContact C-O 3.6Å; G270-L314 WeakPolarHBondContact CA-O 3.33Å; G270-L314 PolarHBondContact N-O 2.97Å; G271-L314 PolarHBondContact N-O 3.48Å; G271-L314 WeakPolarHBondContact O-CA 3.39Å; G271-L314 WeakPolarHBondContact O-CD2 3.32Å; I272-L314 HydrophobicContact CG2-CD2 4.42Å; T276-L314 HydrophobicContact CG2-CD2 4.17Å; L281-L314 HydrophobicContact CD1-CD1 3.72Å; L281-L314 HydrophobicContact CD1-CG 4.4Å; L281-L314 HydrophobicContact CD2-CD1 3.5Å; L281-L314 HydrophobicContact CD2-CG 4.35Å; L281-L314 HydrophobicContact CG-CD1 4.29Å; Q310-L314 WeakPolarHBondContact O-CG 3.45Å; Q310-L314 PolarHBondContact O-N 2.89Å; V311-L314 PolarHBondContact O-N 3.33Å
315	L	97.5	Very high	95.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-96.6	-23.6	-176.5	-54.5	-166.9	0	0	0	113.4	R215 N217 H269 L292 V311 L312 D313	R215-L315 HydrophobicContact CB-CD1 4.49Å; R215-L315 HydrophobicContact CG-CD1 4.05Å; R215-L315 WeakPolarHBondContact O-CD2 3.38Å; N217-L315 HydrophobicContact CB-CB 4.15Å; H269-L315 HydrophobicContact CB-CD2 4.1Å; H269-L315 PolarHBondContact CD2-O 2.67Å; L292-L315 HydrophobicContact CD1-CB 4.46Å; L292-L315 HydrophobicContact CD1-CD1 3.56Å; L292-L315 HydrophobicContact CD1-CG 4.22Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 HydrophobicContact CG1-CG 4.24Å; V311-L315 WeakPolarHBondContact O-CG 3.32Å; V311-L315 PolarHBondContact O-N 3.28Å; V311-L315 VanDerWaalsContact O-N 3.1Å; L312-L315 PolarHBondContact O-N 2.79Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 2.7Å
316	W	96.7	Very high	95.9	Very high	10 Å²	10	42.8 Å²	42.8	4%	0.038	21%	0.214	C	C	.	.	H	α-helix	trans	-121	-8.8	-170.2	-70.2	84.9	0	0	0	115.9	N217 V223 L293 L312 D313 R331 A333	N217-W316 HydrophobicContact CB-CD2 3.93Å; N217-W316 HydrophobicContact CB-CG 4.25Å; N217-W316 HydrophobicContact CB-CZ2 3.85Å; V223-W316 HydrophobicContact CG2-CH2 4.24Å; V223-W316 HydrophobicContact CG2-CZ2 3.85Å; L293-W316 HydrophobicContact CD1-CH2 4.2Å; L293-W316 HydrophobicContact CD1-CZ2 4Å; L293-W316 HydrophobicContact CD2-CH2 4.28Å; L293-W316 HydrophobicContact CD2-CZ2 3.8Å; L293-W316 HydrophobicContact CG-CZ2 4.05Å; L312-W316 WeakPolarHBondContact O-CB 3.31Å; L312-W316 PolarHBondContact O-N 2.92Å; D313-W316 PolarHBondContact O-N 2.69Å; W316-R331 HydrophobicContact CE3-CB 4.14Å; W316-A333 HydrophobicContact CB-CB 3.96Å; W316-A333 HydrophobicContact CD2-CB 3.61Å; W316-A333 HydrophobicContact CE3-CB 3.78Å; W316-A333 HydrophobicContact CG-CB 3.72Å; W316-A333 HydrophobicContact CZ3-CB 4.44Å
317	S	98.3	Very high	96.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.			trans	-74.7	150.3	-177.1	-58.4	0	0	0	0	111.8	G270 G271 D313 C335 R356	G270-S317 CarbonylContact C-O 3.53Å; G271-S317 PolarHBondContact N-O 3.38Å; D313-S317 WeakPolarHBondContact CA-OG 2.92Å; D313-S317 WeakPolarHBondContact O-CB 3.29Å; D313-S317 PolarHBondContact O-N 2.95Å; D313-S317 PolarHBondContact O-OG 3.07Å; S317-C335 CarbonylContact C-O 3.55Å; S317-C335 WeakPolarHBondContact CA-O 3.44Å; S317-C335 WeakPolarHBondContact CB-O 3.49Å; S317-C335 PolarHBondContact OG-N 3.25Å; S317-C335 VanDerWaalsContact OG-N 3.08Å; S317-C335 PolarHBondContact OG-SG 3.11Å; S317-R356 PolarHBondContact O-NH1 3.49Å
318	D	98.1	Very high	96.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.4	176.7	-69.8	-37.2	0	0	0	111.1	N328 R331 C335 Y336 F337 R356 H358 E359	D318-N328 PolarHBondContact OD2-ND2 3.04Å; D318-R331 IonicContact OD1-NH1 3.44Å; D318-R331 PolarHBondContact OD1-NH1 3.15Å; D318-R331 VanDerWaalsContact OD1-NH1 3.16Å; D318-R331 WeakPolarHBondContact OD2-CG 3.39Å; D318-R331 IonicContact OD2-CZ 3.27Å; D318-R331 VanDerWaalsContact OD2-CZ 3.3Å; D318-R331 IonicContact OD2-NE 3.9Å; D318-R331 IonicContact OD2-NH1 3.05Å; D318-R331 PolarHBondContact OD2-NH1 3.34Å; D318-R331 VanDerWaalsContact OD2-NH1 3.11Å; D318-R331 IonicContact OD2-NH2 3.82Å; D318-C335 PolarHBondContact N-O 3.39Å; D318-Y336 HydrophobicContact CB-CD1 3.89Å; D318-Y336 HydrophobicContact CB-CE1 3.91Å; D318-Y336 CarbonylContact O-C 3.55Å; D318-Y336 WeakPolarHBondContact O-CA 3.43Å; D318-F337 WeakPolarHBondContact O-CD1 3.35Å; D318-F337 WeakPolarHBondContact O-CE1 3.38Å; D318-F337 PolarHBondContact O-N 3.18Å; D318-R356 IonicContact OD1-CZ 2.75Å; D318-R356 IonicContact OD1-NH1 3.87Å; D318-R356 IonicContact OD1-NH2 3.2Å; D318-R356 PolarHBondContact OD1-NH2 3.07Å; D318-H358 IonicContact OD1-CD2 3.26Å; D318-H358 PolarHBondContact OD1-CD2 3.24Å; D318-H358 VanDerWaalsContact OD1-CD2 3.27Å; D318-H358 IonicContact OD1-NE2 3.34Å; D318-E359 WeakPolarHBondContact OD1-CG 3.3Å
319	P	98.2	Very high	95.6	Very high	13 Å²	13	42.1 Å²	42.1	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	157.2	170.4	28.8	-37	0	0	0	111.5	F337 E359	P319-F337 CarbonylContact C-O 3.56Å; P319-F337 WeakPolarHBondContact CA-O 3.39Å; P319-F337 HydrophobicContact CB-CE1 4.22Å; P319-F337 HydrophobicContact CB-CE2 4.11Å; P319-F337 HydrophobicContact CB-CZ 3.8Å; P319-F337 HydrophobicContact CG-CZ 4.44Å; P319-F337 VanDerWaalsContact N-CE1 3.28Å; P319-E359 WeakPolarHBondContact CD-OE2 3.46Å; P319-E359 WeakPolarHBondContact CG-OE2 3.16Å
320	Q	96.9	Very high	94.9	Very high	22 Å²	22	42.8 Å²	42.8	10%	0.103	23%	0.234	C	C	.	.			trans	-143.2	150.5	170	60.2	167.3	29.4	0	0	111.3	K322 R326 Y336 F337 H369	Q320-K322 WeakPolarHBondContact CG-O 3.27Å; Q320-K322 PolarHBondContact NE2-O 3.13Å; Q320-K322 PolarHBondContact O-N 3.47Å; Q320-K322 VanDerWaalsContact O-N 3.14Å; Q320-R326 VanDerWaalsContact OE1-CZ 3.26Å; Q320-Y336 HydrophobicContact CB-CD1 4.41Å; Q320-F337 PolarHBondContact N-O 3.47Å; Q320-H369 PolarHBondContact O-NE2 2.97Å
321	D	96	Very high	94.3	Very high	147 Å²	147	44.1 Å²	44.1	79%	0.786	24%	0.239	S	C	*	.	S	Bend	trans	-66.5	-19.1	-178.3	-62.1	-31.3	0	0	0	114.4
322	K	96.2	Very high	93.7	Very high	155 Å²	155	47.5 Å²	47.5	67%	0.674	27%	0.273	S	S	*	.	S	Bend	trans	-98.2	142.5	-175.7	-64.6	-175.8	-178.9	-177.4	0	111	Q320 G338	Q320-K322 WeakPolarHBondContact CG-O 3.27Å; Q320-K322 PolarHBondContact NE2-O 3.13Å; Q320-K322 PolarHBondContact O-N 3.47Å; Q320-K322 VanDerWaalsContact O-N 3.14Å; K322-G338 WeakPolarHBondContact O-CA 3.49Å
323	D	98.2	Very high	93.4	Very high	114 Å²	114	47.5 Å²	47.5	61%	0.61	28%	0.275	S	S	*	.	S	Bend	trans	-55.4	155.8	172.9	-63.8	-2.1	0	0	0	113	P339 D340	D323-P339 VanDerWaalsContact OD1-CG 3.23Å; D323-P339 WeakPolarHBondContact OD1-CG 3.14Å; D323-D340 VanDerWaalsContact CA-OD1 3.23Å; D323-D340 WeakPolarHBondContact CA-OD1 3.46Å; D323-D340 HydrophobicContact CB-CB 4.31Å
324	G	97.9	Very high	93.3	Very high	24 Å²	24	47.8 Å²	47.8	25%	0.247	28%	0.279	C	S	.	.	S	Bend	trans	98.8	177.6	176.7	0	0	0	0	0	113.6	G338 D340	G324-G338 PolarHBondContact O-N 2.9Å; G324-D340 VanDerWaalsContact N-CG 3.29Å; G324-D340 PolarHBondContact N-OD1 3.18Å; G324-D340 PolarHBondContact N-OD2 3.28Å; G324-D340 VanDerWaalsContact N-OD2 3.15Å
325	C	98.1	Very high	93.2	Very high	29 Å²	29	48.1 Å²	48.1	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.8	176.8	-178.5	0	0	0	0	109.6	K274 C335 Y336 I341	K274-C325 HydrophobicContact CB-CB 3.92Å; K274-C325 HydrophobicContact CD-CB 4.02Å; K274-C325 HydrophobicContact CG-CB 3.93Å; C325-C335 PolarHBondContact SG-SG 3Å; C325-Y336 VanDerWaalsContact CA-O 3.28Å; C325-Y336 WeakPolarHBondContact CA-O 3.48Å; C325-I341 HydrophobicContact CB-CD1 3.99Å; C325-I341 HydrophobicContact CB-CG1 3.97Å
326	R	96.6	Very high	93.3	Very high	134 Å²	134	50.4 Å²	50.4	51%	0.506	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.1	-178.3	62.9	179	174.9	172	3.5	111.2	Q320 C335 Y336	Q320-R326 VanDerWaalsContact OE1-CZ 3.26Å; R326-C335 CarbonylContact O-C 3.6Å; R326-C335 VanDerWaalsContact O-CA 3.24Å; R326-C335 WeakPolarHBondContact O-CA 3.39Å; R326-C335 VanDerWaalsContact O-CB 3.27Å; R326-C335 WeakPolarHBondContact O-CB 3.5Å; R326-Y336 HydrophobicContact CG-CD2 4.23Å; R326-Y336 PolarHBondContact N-O 3.3Å; R326-Y336 PolarHBondContact O-N 3.29Å
327	P	94.1	Very high	93.4	Very high	112 Å²	112	49.9 Å²	49.9	73%	0.727	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	141.3	177	-26.3	35.4	0	0	0	112.9	G329	P327-G329 PolarHBondContact O-N 2.81Å; P327-G329 VanDerWaalsContact O-N 3.12Å
328	N	89.1	Confident	93.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	29%	0.288	C	S	.	.			trans	-82.3	90.3	177.9	-172.2	-24.2	0	0	0	110.2	D318 F330 R331 G332 A333 G334 Y336	D318-N328 PolarHBondContact OD2-ND2 3.04Å; N328-F330 PolarHBondContact O-N 3.31Å; N328-F330 WeakPolarHBondContact OD1-CB 3.41Å; N328-F330 PolarHBondContact OD1-N 3.43Å; N328-F330 VanDerWaalsContact OD1-N 3.1Å; N328-R331 HydrophobicContact CB-CB 4.31Å; N328-R331 WeakPolarHBondContact ND2-CG 3.24Å; N328-R331 PolarHBondContact O-N 2.92Å; N328-R331 PolarHBondContact OD1-N 2.96Å; N328-G332 PolarHBondContact O-N 3.14Å; N328-A333 WeakPolarHBondContact CB-O 3.18Å; N328-G334 PolarHBondContact N-O 2.88Å; N328-Y336 HydrophobicContact CB-CD2 4.23Å; N328-Y336 HydrophobicContact CB-CE2 4.17Å; N328-Y336 WeakPolarHBondContact OD1-CE2 3.38Å; N328-Y336 PolarHBondContact OD1-OH 3.15Å; N328-Y336 VanDerWaalsContact OD1-OH 3.13Å
329	G	80.8	Confident	93.4	Very high	53 Å²	53	51 Å²	51	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.3	179.7	0	0	0	0	0	114.9	P327 K505	P327-G329 PolarHBondContact O-N 2.81Å; P327-G329 VanDerWaalsContact O-N 3.12Å; G329-K505 PolarHBondContact O-NZ 2.97Å
330	F	78.7	Confident	93.4	Very high	59 Å²	59	53.3 Å²	53.3	26%	0.259	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-49.5	173.4	-178.3	-106.5	0	0	0	110.7	Y51 N328 Y336 K505	Y51-F330 AromaticContact CD2-CE1 3.72Å; Y51-F330 HydrophobicContact CD2-CE1 3.72Å; Y51-F330 HydrophobicContact CD2-CE2 4.38Å; Y51-F330 AromaticContact CD2-CZ 3.44Å; Y51-F330 HydrophobicContact CD2-CZ 3.44Å; Y51-F330 VanDerWaalsContact CD2-CZ 3.44Å; Y51-F330 HydrophobicContact CE1-CE1 4.31Å; Y51-F330 HydrophobicContact CE2-CD1 4.46Å; Y51-F330 AromaticContact CE2-CE1 3.31Å; Y51-F330 HydrophobicContact CE2-CE1 3.31Å; Y51-F330 AromaticContact CE2-CZ 3.45Å; Y51-F330 HydrophobicContact CE2-CZ 3.45Å; Y51-F330 VanDerWaalsContact CE2-CZ 3.45Å; Y51-F330 HydrophobicContact CG-CE1 4.44Å; Y51-F330 HydrophobicContact CG-CZ 4.27Å; Y51-F330 AromaticContact CZ-CE1 3.64Å; N328-F330 PolarHBondContact O-N 3.31Å; N328-F330 WeakPolarHBondContact OD1-CB 3.41Å; N328-F330 PolarHBondContact OD1-N 3.43Å; N328-F330 VanDerWaalsContact OD1-N 3.1Å; F330-Y336 WeakPolarHBondContact CB-OH 3.1Å; F330-K505 HydrophobicContact CD2-CD 4.36Å
331	R	83.2	Confident	93.5	Very high	35 Å²	35	53.3 Å²	53.3	13%	0.132	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-32.9	178.2	-63.7	-69.9	148	90.3	1.7	113.1	Y51 W316 D318 N328 H358	Y51-R331 PolarHBondContact OH-NE 2.89Å; Y51-R331 PolarHBondContact OH-NH2 3.41Å; W316-R331 HydrophobicContact CE3-CB 4.14Å; D318-R331 IonicContact OD1-NH1 3.44Å; D318-R331 PolarHBondContact OD1-NH1 3.15Å; D318-R331 VanDerWaalsContact OD1-NH1 3.16Å; D318-R331 WeakPolarHBondContact OD2-CG 3.39Å; D318-R331 IonicContact OD2-CZ 3.27Å; D318-R331 VanDerWaalsContact OD2-CZ 3.3Å; D318-R331 IonicContact OD2-NE 3.9Å; D318-R331 IonicContact OD2-NH1 3.05Å; D318-R331 PolarHBondContact OD2-NH1 3.34Å; D318-R331 VanDerWaalsContact OD2-NH1 3.11Å; D318-R331 IonicContact OD2-NH2 3.82Å; N328-R331 HydrophobicContact CB-CB 4.31Å; N328-R331 WeakPolarHBondContact ND2-CG 3.24Å; N328-R331 PolarHBondContact O-N 2.92Å; N328-R331 PolarHBondContact OD1-N 2.96Å; R331-H358 PolarHBondContact NH1-CD2 2.93Å; R331-H358 PolarHBondContact NH1-NE2 3.22Å
332	G	83.8	Confident	93.6	Very high	71 Å²	71	46.3 Å²	46.3	73%	0.732	27%	0.27	S	S	*	.	S	Bend	trans	81.2	1	-173.3	0	0	0	0	0	114.1	N328	N328-G332 PolarHBondContact O-N 3.14Å
333	A	89.2	Confident	93.7	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	25%	0.251	C	S	.	.	S	Bend	trans	-147.4	159.3	177.8	0	0	0	0	0	109.5	L293 L312 W316 N328	L293-A333 HydrophobicContact CD2-CB 4.27Å; L312-A333 HydrophobicContact CD1-CB 4.04Å; L312-A333 HydrophobicContact CD2-CB 4.48Å; L312-A333 HydrophobicContact CG-CB 4.38Å; W316-A333 HydrophobicContact CB-CB 3.96Å; W316-A333 HydrophobicContact CD2-CB 3.61Å; W316-A333 HydrophobicContact CE3-CB 3.78Å; W316-A333 HydrophobicContact CG-CB 3.72Å; W316-A333 HydrophobicContact CZ3-CB 4.44Å; N328-A333 WeakPolarHBondContact CB-O 3.18Å
334	G	93.8	Very high	93.7	Very high	10 Å²	10	39.4 Å²	39.4	10%	0.103	25%	0.246	C	C	.	.	S	Bend	trans	65.2	-161.6	-176	0	0	0	0	0	113.4	N328	N328-G334 PolarHBondContact N-O 2.88Å
335	C	96.6	Very high	93.7	Very high	7 Å²	7	39 Å²	39	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161	-176.2	76.1	0	0	0	0	113	I272 S273 S317 D318 C325 R326	I272-C335 PolarHBondContact O-SG 2.77Å; S273-C335 WeakPolarHBondContact CB-SG 3.5Å; S317-C335 CarbonylContact C-O 3.55Å; S317-C335 WeakPolarHBondContact CA-O 3.44Å; S317-C335 WeakPolarHBondContact CB-O 3.49Å; S317-C335 PolarHBondContact OG-N 3.25Å; S317-C335 VanDerWaalsContact OG-N 3.08Å; S317-C335 PolarHBondContact OG-SG 3.11Å; D318-C335 PolarHBondContact N-O 3.39Å; C325-C335 PolarHBondContact SG-SG 3Å; R326-C335 CarbonylContact O-C 3.6Å; R326-C335 VanDerWaalsContact O-CA 3.24Å; R326-C335 WeakPolarHBondContact O-CA 3.39Å; R326-C335 VanDerWaalsContact O-CB 3.27Å; R326-C335 WeakPolarHBondContact O-CB 3.5Å
336	Y	98.2	Very high	93.6	Very high	49 Å²	49	38 Å²	38	19%	0.192	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.5	155.3	-65.9	-68.1	0	0	0	109.4	D318 Q320 C325 R326 N328 F330	D318-Y336 HydrophobicContact CB-CD1 3.89Å; D318-Y336 HydrophobicContact CB-CE1 3.91Å; D318-Y336 CarbonylContact O-C 3.55Å; D318-Y336 WeakPolarHBondContact O-CA 3.43Å; Q320-Y336 HydrophobicContact CB-CD1 4.41Å; C325-Y336 VanDerWaalsContact CA-O 3.28Å; C325-Y336 WeakPolarHBondContact CA-O 3.48Å; R326-Y336 HydrophobicContact CG-CD2 4.23Å; R326-Y336 PolarHBondContact N-O 3.3Å; R326-Y336 PolarHBondContact O-N 3.29Å; N328-Y336 HydrophobicContact CB-CD2 4.23Å; N328-Y336 HydrophobicContact CB-CE2 4.17Å; N328-Y336 WeakPolarHBondContact OD1-CE2 3.38Å; N328-Y336 PolarHBondContact OD1-OH 3.15Å; N328-Y336 VanDerWaalsContact OD1-OH 3.13Å; F330-Y336 WeakPolarHBondContact CB-OH 3.1Å
337	F	98.7	Very high	93.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.1	176	65.6	-83.9	0	0	0	111.3	I272 D318 P319 Q320 I341 H369 V373	I272-F337 HydrophobicContact CD1-CD2 4.44Å; I272-F337 HydrophobicContact CG1-CD2 3.77Å; I272-F337 HydrophobicContact CG1-CE2 3.98Å; I272-F337 HydrophobicContact CG1-CG 4.1Å; I272-F337 HydrophobicContact CG1-CZ 4.48Å; I272-F337 WeakPolarHBondContact O-CB 3.49Å; I272-F337 WeakPolarHBondContact O-CD1 3.35Å; I272-F337 WeakPolarHBondContact O-CG 3.33Å; D318-F337 WeakPolarHBondContact O-CD1 3.35Å; D318-F337 WeakPolarHBondContact O-CE1 3.38Å; D318-F337 PolarHBondContact O-N 3.18Å; P319-F337 CarbonylContact C-O 3.56Å; P319-F337 WeakPolarHBondContact CA-O 3.39Å; P319-F337 HydrophobicContact CB-CE1 4.22Å; P319-F337 HydrophobicContact CB-CE2 4.11Å; P319-F337 HydrophobicContact CB-CZ 3.8Å; P319-F337 HydrophobicContact CG-CZ 4.44Å; P319-F337 VanDerWaalsContact N-CE1 3.28Å; Q320-F337 PolarHBondContact N-O 3.47Å; F337-I341 HydrophobicContact CB-CB 4.12Å; F337-I341 HydrophobicContact CB-CG1 4.42Å; F337-I341 HydrophobicContact CB-CG2 4.02Å; F337-H369 AromaticContact CD2-CE1 3.69Å; F337-H369 AromaticContact CE2-CE1 3.67Å; F337-H369 PolarHBondContact O-CE1 3.2Å; F337-V373 HydrophobicContact CE2-CG2 4.32Å
338	G	98.6	Very high	93.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.236	C	C	.	.			trans	-85.4	177.5	178.7	0	0	0	0	0	114.2	K322 G324 D340 I341 T342 H369	K322-G338 WeakPolarHBondContact O-CA 3.49Å; G324-G338 PolarHBondContact O-N 2.9Å; G338-D340 VanDerWaalsContact C-N 3.3Å; G338-D340 PolarHBondContact O-N 3.23Å; G338-I341 WeakPolarHBondContact O-CB 3.39Å; G338-I341 PolarHBondContact O-N 3.43Å; G338-T342 PolarHBondContact O-N 3.32Å; G338-H369 VanDerWaalsContact C-CE1 3.42Å; G338-H369 PolarHBondContact O-CE1 3.47Å
339	P	98.4	Very high	93.9	Very high	25 Å²	25	38.9 Å²	38.9	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-30.7	179.3	26.6	-33.8	0	0	0	112.9	D323 I341 T342 D343 H369	D323-P339 VanDerWaalsContact OD1-CG 3.23Å; D323-P339 WeakPolarHBondContact OD1-CG 3.14Å; P339-I341 VanDerWaalsContact C-N 3.31Å; P339-I341 PolarHBondContact O-N 3.44Å; P339-T342 PolarHBondContact O-N 3.35Å; P339-D343 WeakPolarHBondContact O-CB 3.5Å; P339-D343 PolarHBondContact O-N 3.05Å; P339-H369 HydrophobicContact CB-CB 3.98Å
340	D	98.5	Very high	94.5	Very high	61 Å²	61	40.2 Å²	40.2	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-37.8	172.6	65.1	-43.8	0	0	0	112.9	D323 G324 G338 D343 S344	D323-D340 VanDerWaalsContact CA-OD1 3.23Å; D323-D340 WeakPolarHBondContact CA-OD1 3.46Å; D323-D340 HydrophobicContact CB-CB 4.31Å; G324-D340 VanDerWaalsContact N-CG 3.29Å; G324-D340 PolarHBondContact N-OD1 3.18Å; G324-D340 PolarHBondContact N-OD2 3.28Å; G324-D340 VanDerWaalsContact N-OD2 3.15Å; G338-D340 VanDerWaalsContact C-N 3.3Å; G338-D340 PolarHBondContact O-N 3.23Å; D340-D343 PolarHBondContact O-N 2.94Å; D340-S344 WeakPolarHBondContact O-CB 3.31Å; D340-S344 PolarHBondContact O-N 3.22Å
341	I	98.7	Very high	95.2	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.108	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-42.7	176.6	-53.4	-55.4	0	0	0	110.5	I272 K274 C325 F337 G338 P339 F345	I272-I341 HydrophobicContact CD1-CG2 4.06Å; I272-I341 HydrophobicContact CG1-CG2 4.41Å; K274-I341 HydrophobicContact CB-CD1 3.99Å; C325-I341 HydrophobicContact CB-CD1 3.99Å; C325-I341 HydrophobicContact CB-CG1 3.97Å; F337-I341 HydrophobicContact CB-CB 4.12Å; F337-I341 HydrophobicContact CB-CG1 4.42Å; F337-I341 HydrophobicContact CB-CG2 4.02Å; G338-I341 WeakPolarHBondContact O-CB 3.39Å; G338-I341 PolarHBondContact O-N 3.43Å; P339-I341 VanDerWaalsContact C-N 3.31Å; P339-I341 PolarHBondContact O-N 3.44Å; I341-F345 WeakPolarHBondContact O-CB 3.28Å; I341-F345 PolarHBondContact O-N 3.29Å
342	T	98.5	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-46.8	172.8	-66.8	0	0	0	0	111.6	G338 P339 F345 L346 I354 H369 K372 V373	G338-T342 PolarHBondContact O-N 3.32Å; P339-T342 PolarHBondContact O-N 3.35Å; T342-F345 PolarHBondContact O-N 3.06Å; T342-L346 HydrophobicContact CG2-CD1 3.74Å; T342-L346 HydrophobicContact CG2-CG 4.25Å; T342-L346 WeakPolarHBondContact O-CB 3.16Å; T342-L346 VanDerWaalsContact O-CG 3.28Å; T342-L346 WeakPolarHBondContact O-CG 3.45Å; T342-L346 PolarHBondContact O-N 3.33Å; T342-I354 HydrophobicContact CG2-CD1 4.26Å; T342-H369 HydrophobicContact CG2-CB 4.3Å; T342-H369 PolarHBondContact OG1-ND1 3.14Å; T342-K372 HydrophobicContact CG2-CB 3.81Å; T342-K372 HydrophobicContact CG2-CD 4.41Å; T342-V373 HydrophobicContact CG2-CG2 3.79Å
343	D	98.1	Very high	96.1	Very high	54 Å²	54	35.5 Å²	35.5	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-49.1	-179.7	-73.1	2.6	0	0	0	110.7	P339 D340 F345 L346 D347 K372	P339-D343 WeakPolarHBondContact O-CB 3.5Å; P339-D343 PolarHBondContact O-N 3.05Å; D340-D343 PolarHBondContact O-N 2.94Å; D343-F345 VanDerWaalsContact C-N 3.33Å; D343-F345 PolarHBondContact O-N 3.44Å; D343-L346 PolarHBondContact O-N 2.87Å; D343-D347 VanDerWaalsContact O-CB 3.3Å; D343-D347 WeakPolarHBondContact O-CB 3.2Å; D343-D347 PolarHBondContact O-N 3.43Å; D343-K372 WeakPolarHBondContact OD1-CD 3.43Å; D343-K372 WeakPolarHBondContact OD1-CE 3.48Å; D343-K372 IonicContact OD1-NZ 3.32Å; D343-K372 PolarHBondContact OD1-NZ 3.06Å; D343-K372 IonicContact OD2-NZ 2.8Å; D343-K372 PolarHBondContact OD2-NZ 3.27Å
344	S	98.2	Very high	96.5	Very high	71 Å²	71	35 Å²	35	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-42.3	177.1	-179.2	0	0	0	0	112.9	D340 T348	D340-S344 WeakPolarHBondContact O-CB 3.31Å; D340-S344 PolarHBondContact O-N 3.22Å; S344-T348 VanDerWaalsContact O-CB 3.3Å; S344-T348 WeakPolarHBondContact O-CB 3.19Å; S344-T348 PolarHBondContact O-N 2.96Å; S344-T348 PolarHBondContact O-OG1 3.31Å
345	F	98.2	Very high	96.8	Very high	14 Å²	14	34.6 Å²	34.6	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-47.6	178.2	174.4	-97.5	0	0	0	112	F266 I272 T276 L278 I341 T342 D343 D347 T348 T349 F351 I354	F266-F345 HydrophobicContact CB-CE1 4.2Å; F266-F345 HydrophobicContact CB-CZ 4.49Å; F266-F345 AromaticContact CD1-CE1 3.8Å; F266-F345 HydrophobicContact CD1-CE1 3.8Å; F266-F345 AromaticContact CD1-CZ 3.7Å; F266-F345 HydrophobicContact CD1-CZ 3.7Å; F266-F345 HydrophobicContact CE1-CZ 4.04Å; F266-F345 HydrophobicContact CG-CE1 4.17Å; F266-F345 HydrophobicContact CG-CZ 4.05Å; I272-F345 HydrophobicContact CD1-CB 3.38Å; I272-F345 HydrophobicContact CD1-CD1 3.9Å; I272-F345 HydrophobicContact CD1-CD2 4.29Å; I272-F345 HydrophobicContact CD1-CG 3.6Å; I272-F345 HydrophobicContact CG2-CD1 4.32Å; I272-F345 HydrophobicContact CG2-CD2 4.4Å; I272-F345 HydrophobicContact CG2-CE1 4.19Å; I272-F345 HydrophobicContact CG2-CE2 4.28Å; I272-F345 HydrophobicContact CG2-CG 4.41Å; I272-F345 HydrophobicContact CG2-CZ 4.17Å; T276-F345 HydrophobicContact CG2-CD2 4.25Å; T276-F345 HydrophobicContact CG2-CE2 3.73Å; L278-F345 HydrophobicContact CD1-CE2 4.43Å; L278-F345 HydrophobicContact CD1-CZ 4.21Å; L278-F345 HydrophobicContact CD2-CE2 4.1Å; L278-F345 HydrophobicContact CD2-CZ 4.08Å; L278-F345 HydrophobicContact CG-CE2 4.13Å; L278-F345 HydrophobicContact CG-CZ 4.29Å; I341-F345 WeakPolarHBondContact O-CB 3.28Å; I341-F345 PolarHBondContact O-N 3.29Å; T342-F345 PolarHBondContact O-N 3.06Å; D343-F345 VanDerWaalsContact C-N 3.33Å; D343-F345 PolarHBondContact O-N 3.44Å; F345-D347 VanDerWaalsContact C-N 3.35Å; F345-D347 PolarHBondContact O-N 3.28Å; F345-T348 PolarHBondContact O-N 3.1Å; F345-T349 HydrophobicContact CD2-CG2 4.13Å; F345-T349 HydrophobicContact CE1-CG2 4.38Å; F345-T349 HydrophobicContact CE2-CG2 3.81Å; F345-T349 HydrophobicContact CZ-CG2 3.96Å; F345-T349 WeakPolarHBondContact O-CB 3.39Å; F345-T349 WeakPolarHBondContact O-CG2 3.43Å; F345-T349 PolarHBondContact O-N 3.2Å; F345-T349 PolarHBondContact O-OG1 3.11Å; F345-F351 HydrophobicContact CE1-CD2 4.12Å; F345-F351 HydrophobicContact CZ-CD2 4.4Å; F345-F351 HydrophobicContact CZ-CE2 4.5Å; F345-I354 HydrophobicContact CD1-CD1 3.88Å; F345-I354 HydrophobicContact CD1-CG1 4.28Å; F345-I354 HydrophobicContact CE1-CD1 4.17Å; F345-I354 HydrophobicContact CE1-CG1 4.21Å
346	L	96.4	Very high	96.9	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-38.9	-180	-69.5	-179.9	0	0	0	111.7	T342 D343 T349 S350 F351 I354 K372	T342-L346 HydrophobicContact CG2-CD1 3.74Å; T342-L346 HydrophobicContact CG2-CG 4.25Å; T342-L346 WeakPolarHBondContact O-CB 3.16Å; T342-L346 VanDerWaalsContact O-CG 3.28Å; T342-L346 WeakPolarHBondContact O-CG 3.45Å; T342-L346 PolarHBondContact O-N 3.33Å; D343-L346 PolarHBondContact O-N 2.87Å; L346-T349 PolarHBondContact O-OG1 2.91Å; L346-S350 CarbonylContact O-C 3.52Å; L346-S350 VanDerWaalsContact O-CA 3.27Å; L346-S350 WeakPolarHBondContact O-CA 3.17Å; L346-S350 PolarHBondContact O-N 2.99Å; L346-F351 HydrophobicContact CD2-CB 3.58Å; L346-F351 PolarHBondContact O-N 2.82Å; L346-F351 VanDerWaalsContact O-N 3.09Å; L346-I354 HydrophobicContact CD2-CG1 4.03Å; L346-K372 HydrophobicContact CD1-CB 3.74Å; L346-K372 HydrophobicContact CD1-CD 4Å; L346-K372 HydrophobicContact CD1-CG 4.07Å
347	D	95.3	Very high	96.9	Very high	123 Å²	123	31.9 Å²	31.9	66%	0.658	19%	0.19	S	C	*	.	H	α-helix	trans	-64.3	-46.6	175.2	-72	-15.8	0	0	0	111.2	D343 F345 T349 S350	D343-D347 VanDerWaalsContact O-CB 3.3Å; D343-D347 WeakPolarHBondContact O-CB 3.2Å; D343-D347 PolarHBondContact O-N 3.43Å; F345-D347 VanDerWaalsContact C-N 3.35Å; F345-D347 PolarHBondContact O-N 3.28Å; D347-T349 VanDerWaalsContact C-N 3.34Å; D347-T349 PolarHBondContact O-N 3.31Å; D347-S350 PolarHBondContact O-N 3.24Å
348	T	95.9	Very high	96.8	Very high	115 Å²	115	32.5 Å²	32.5	71%	0.706	19%	0.193	S	C	*	.	H	α-helix	trans	-65.1	-38	-179.2	-59.5	0	0	0	0	112.2	S344 F345	S344-T348 VanDerWaalsContact O-CB 3.3Å; S344-T348 WeakPolarHBondContact O-CB 3.19Å; S344-T348 PolarHBondContact O-N 2.96Å; S344-T348 PolarHBondContact O-OG1 3.31Å; F345-T348 PolarHBondContact O-N 3.1Å
349	T	94.7	Very high	96.6	Very high	31 Å²	31	34 Å²	34	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-88.5	-11.4	-178.4	56.5	0	0	0	0	113.1	L278 F345 L346 D347 F351	L278-T349 HydrophobicContact CD1-CG2 3.57Å; L278-T349 HydrophobicContact CG-CG2 4.18Å; F345-T349 HydrophobicContact CD2-CG2 4.13Å; F345-T349 HydrophobicContact CE1-CG2 4.38Å; F345-T349 HydrophobicContact CE2-CG2 3.81Å; F345-T349 HydrophobicContact CZ-CG2 3.96Å; F345-T349 WeakPolarHBondContact O-CB 3.39Å; F345-T349 WeakPolarHBondContact O-CG2 3.43Å; F345-T349 PolarHBondContact O-N 3.2Å; F345-T349 PolarHBondContact O-OG1 3.11Å; L346-T349 PolarHBondContact O-OG1 2.91Å; D347-T349 VanDerWaalsContact C-N 3.34Å; D347-T349 PolarHBondContact O-N 3.31Å; T349-F351 HydrophobicContact CG2-CD2 4.21Å; T349-F351 HydrophobicContact CG2-CE2 4.19Å; T349-F351 WeakPolarHBondContact O-CD1 3.18Å; T349-F351 PolarHBondContact O-N 2.9Å; T349-F351 WeakPolarHBondContact OG1-CB 3.31Å; T349-F351 WeakPolarHBondContact OG1-CD2 3.23Å; T349-F351 VanDerWaalsContact OG1-CG 3.28Å; T349-F351 WeakPolarHBondContact OG1-CG 3.41Å; T349-F351 PolarHBondContact OG1-N 3.43Å
350	S	92.7	Very high	96.3	Very high	81 Å²	81	33.4 Å²	33.4	57%	0.566	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	26.8	-169.1	-57.3	0	0	0	0	113.6	L346 D347	L346-S350 CarbonylContact O-C 3.52Å; L346-S350 VanDerWaalsContact O-CA 3.27Å; L346-S350 WeakPolarHBondContact O-CA 3.17Å; L346-S350 PolarHBondContact O-N 2.99Å; D347-S350 PolarHBondContact O-N 3.24Å
351	F	93.6	Very high	95.8	Very high	23 Å²	23	32.9 Å²	32.9	10%	0.101	19%	0.19	C	C	.	.			trans	-83.3	167	171	-63.6	-16.1	0	0	0	110.4	I260 E263 R264 F266 L278 F345 L346 T349	I260-F351 HydrophobicContact CD1-CZ 4.04Å; I260-F351 HydrophobicContact CG1-CE2 4.42Å; I260-F351 HydrophobicContact CG1-CZ 4.06Å; I260-F351 HydrophobicContact CG2-CE1 3.96Å; I260-F351 HydrophobicContact CG2-CZ 3.74Å; E263-F351 VanDerWaalsContact O-CD1 3.27Å; E263-F351 WeakPolarHBondContact O-CD1 3.27Å; R264-F351 CarbonylContact O-C 3.59Å; R264-F351 WeakPolarHBondContact O-CA 3.28Å; R264-F351 WeakPolarHBondContact O-CB 3.43Å; F266-F351 HydrophobicContact CB-CD2 3.66Å; F266-F351 HydrophobicContact CB-CE2 3.81Å; F266-F351 HydrophobicContact CD2-CE2 4.28Å; F266-F351 HydrophobicContact CG-CD2 4.49Å; F266-F351 HydrophobicContact CG-CE2 4.28Å; L278-F351 HydrophobicContact CD1-CD2 4.49Å; L278-F351 HydrophobicContact CD1-CE2 3.44Å; L278-F351 VanDerWaalsContact CD1-CE2 3.44Å; L278-F351 HydrophobicContact CD1-CZ 3.74Å; F345-F351 HydrophobicContact CE1-CD2 4.12Å; F345-F351 HydrophobicContact CZ-CD2 4.4Å; F345-F351 HydrophobicContact CZ-CE2 4.5Å; L346-F351 HydrophobicContact CD2-CB 3.58Å; L346-F351 PolarHBondContact O-N 2.82Å; L346-F351 VanDerWaalsContact O-N 3.09Å; T349-F351 HydrophobicContact CG2-CD2 4.21Å; T349-F351 HydrophobicContact CG2-CE2 4.19Å; T349-F351 WeakPolarHBondContact O-CD1 3.18Å; T349-F351 PolarHBondContact O-N 2.9Å; T349-F351 WeakPolarHBondContact OG1-CB 3.31Å; T349-F351 WeakPolarHBondContact OG1-CD2 3.23Å; T349-F351 VanDerWaalsContact OG1-CG 3.28Å; T349-F351 WeakPolarHBondContact OG1-CG 3.41Å; T349-F351 PolarHBondContact OG1-N 3.43Å
352	S	91.5	Very high	95.1	Very high	39 Å²	39	36 Å²	36	27%	0.273	21%	0.205	S	C	.	.			trans	-116.4	-20.8	-179	-50.6	0	0	0	0	113.3	R264	R264-S352 PolarHBondContact O-N 3.09Å
353	M	94.9	Very high	94.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.02	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148	-176.2	-175.9	174.3	-76.5	0	0	111.9	R264 I265 F266 I355 G371 K372 L374 L414 L417 V433	R264-M353 PolarHBondContact O-N 3.42Å; I265-M353 WeakPolarHBondContact CA-O 3.34Å; F266-M353 PolarHBondContact N-O 3.28Å; M353-I355 HydrophobicContact CG-CG1 4.22Å; M353-I355 HydrophobicContact SD-CD1 4.42Å; M353-I355 HydrophobicContact SD-CG1 4.07Å; M353-G371 VanDerWaalsContact CE-O 3.28Å; M353-G371 WeakPolarHBondContact CE-O 3.19Å; M353-K372 CarbonylContact C-O 3.44Å; M353-K372 WeakPolarHBondContact CA-O 3.5Å; M353-L374 HydrophobicContact SD-CB 4.35Å; M353-L414 HydrophobicContact CE-CB 4.49Å; M353-L414 HydrophobicContact CE-CD1 3.5Å; M353-L414 VanDerWaalsContact CE-CD1 3.5Å; M353-L414 HydrophobicContact CE-CG 4.5Å; M353-L414 HydrophobicContact SD-CD1 4.11Å; M353-L417 HydrophobicContact CB-CD1 4.21Å; M353-V433 HydrophobicContact SD-CG1 4.45Å; M353-V433 HydrophobicContact SD-CG2 4.2Å
354	I	98.1	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.5	164.1	-57	170.9	0	0	0	107.6	F266 I272 T342 F345 L346 K372 V373 L374	F266-I354 HydrophobicContact CD1-CG2 4.44Å; F266-I354 CarbonylContact O-C 3.59Å; F266-I354 WeakPolarHBondContact O-CA 3.3Å; I272-I354 HydrophobicContact CD1-CD1 3.7Å; I272-I354 HydrophobicContact CG1-CD1 3.99Å; I272-I354 HydrophobicContact CG2-CD1 4.05Å; T342-I354 HydrophobicContact CG2-CD1 4.26Å; F345-I354 HydrophobicContact CD1-CD1 3.88Å; F345-I354 HydrophobicContact CD1-CG1 4.28Å; F345-I354 HydrophobicContact CE1-CD1 4.17Å; F345-I354 HydrophobicContact CE1-CG1 4.21Å; L346-I354 HydrophobicContact CD2-CG1 4.03Å; I354-K372 PolarHBondContact N-O 2.95Å; I354-V373 HydrophobicContact CB-CG2 4.36Å; I354-V373 HydrophobicContact CD1-CG2 4.46Å; I354-V373 WeakPolarHBondContact O-CA 2.97Å; I354-L374 PolarHBondContact O-N 3.32Å
355	I	98.4	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.2	166.4	-58.3	-179.5	0	0	0	107.4	I153 I265 F266 I267 C268 M353 L374 I376 V395 V433	I153-I355 HydrophobicContact CD1-CD1 3.53Å; I153-I355 HydrophobicContact CD1-CG2 4.25Å; I153-I355 HydrophobicContact CG2-CG2 4.12Å; I265-I355 HydrophobicContact CD1-CD1 4.5Å; I265-I355 HydrophobicContact CG2-CB 4.35Å; I265-I355 HydrophobicContact CG2-CD1 3.65Å; I265-I355 HydrophobicContact CG2-CG1 3.66Å; F266-I355 PolarHBondContact O-N 3.35Å; I267-I355 VanDerWaalsContact CA-O 3.31Å; I267-I355 WeakPolarHBondContact CA-O 3.47Å; I267-I355 HydrophobicContact CG1-CB 4.37Å; C268-I355 PolarHBondContact N-O 3.18Å; M353-I355 HydrophobicContact CG-CG1 4.22Å; M353-I355 HydrophobicContact SD-CD1 4.42Å; M353-I355 HydrophobicContact SD-CG1 4.07Å; I355-L374 CarbonylContact C-O 3.57Å; I355-L374 WeakPolarHBondContact CA-O 3.13Å; I355-L374 HydrophobicContact CD1-CD2 4.28Å; I355-L374 HydrophobicContact CG1-CB 4.28Å; I355-L374 HydrophobicContact CG1-CD2 4.26Å; I355-L374 HydrophobicContact CG2-CD2 4.46Å; I355-I376 HydrophobicContact CG2-CG1 4.36Å; I355-V395 HydrophobicContact CD1-CG2 4.2Å; I355-V433 HydrophobicContact CD1-CG1 4.19Å
356	R	98.6	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	177.5	-178.7	65.5	155.6	-73.5	161	-16.8	113.1	C268 G270 S317 D318 E359 V373 L374 T375 I376	C268-R356 WeakPolarHBondContact O-CA 3.41Å; G270-R356 WeakPolarHBondContact O-CB 3.46Å; G270-R356 WeakPolarHBondContact O-CD 3.49Å; G270-R356 PolarHBondContact O-NE 2.82Å; G270-R356 PolarHBondContact O-NH1 2.9Å; S317-R356 PolarHBondContact O-NH1 3.49Å; D318-R356 IonicContact OD1-CZ 2.75Å; D318-R356 IonicContact OD1-NH1 3.87Å; D318-R356 IonicContact OD1-NH2 3.2Å; D318-R356 PolarHBondContact OD1-NH2 3.07Å; R356-E359 IonicContact CZ-OE2 3.42Å; R356-E359 IonicContact NH2-OE2 2.81Å; R356-E359 PolarHBondContact NH2-OE2 3.3Å; R356-V373 HydrophobicContact CG-CG1 4.06Å; R356-L374 PolarHBondContact N-O 2.9Å; R356-T375 HydrophobicContact CG-CG2 4.48Å; R356-T375 WeakPolarHBondContact CG-OG1 3.34Å; R356-T375 CarbonylContact O-C 3.51Å; R356-T375 WeakPolarHBondContact O-CA 3.41Å; R356-I376 PolarHBondContact O-N 2.97Å
357	S	98.7	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.			trans	-134.4	-132.2	177.3	-53.3	0	0	0	0	109.9	G155 D156 N183 H269 E359 I376	G155-S357 WeakPolarHBondContact CA-OG 3.42Å; D156-S357 WeakPolarHBondContact OD1-CB 3.38Å; N183-S357 PolarHBondContact ND2-OG 3.24Å; H269-S357 CarbonylContact O-C 3.48Å; H269-S357 VanDerWaalsContact O-C 3.29Å; H269-S357 WeakPolarHBondContact O-CA 3.42Å; H269-S357 PolarHBondContact O-N 3.18Å; S357-E359 PolarHBondContact O-N 2.92Å; S357-I376 VanDerWaalsContact CA-O 3.24Å; S357-I376 WeakPolarHBondContact CA-O 3.39Å; S357-I376 WeakPolarHBondContact CB-O 3.28Å; S357-I376 PolarHBondContact OG-O 3.33Å; S357-I376 VanDerWaalsContact OG-O 3.08Å
358	H	97.4	Very high	93.6	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.056	19%	0.191	C	C	.	.	S	Bend	trans	67.7	-18.9	169	-172	64.5	0	0	0	116.9	D156 N217 H269 D318 R331	D156-H358 PolarHBondContact OD1-N 3.38Å; D156-H358 WeakPolarHBondContact OD2-CA 3.48Å; D156-H358 PolarHBondContact OD2-N 3.47Å; N217-H358 VanDerWaalsContact CG-CE1 3.47Å; N217-H358 PolarHBondContact OD1-CE1 3.25Å; N217-H358 PolarHBondContact OD1-ND1 3.13Å; H269-H358 AromaticContact CD2-ND1 3.83Å; H269-H358 WeakPolarHBondContact NE2-CB 3.32Å; H269-H358 AromaticContact NE2-CG 3.59Å; H269-H358 AromaticContact NE2-ND1 3.17Å; H269-H358 PolarHBondContact NE2-ND1 3.43Å; H269-H358 VanDerWaalsContact NE2-ND1 3.17Å; H269-H358 WeakPolarHBondContact O-CB 3.28Å; D318-H358 IonicContact OD1-CD2 3.26Å; D318-H358 PolarHBondContact OD1-CD2 3.24Å; D318-H358 VanDerWaalsContact OD1-CD2 3.27Å; D318-H358 IonicContact OD1-NE2 3.34Å; R331-H358 PolarHBondContact NH1-CD2 2.93Å; R331-H358 PolarHBondContact NH1-NE2 3.22Å
359	E	94.7	Very high	93.6	Very high	32 Å²	32	30.9 Å²	30.9	15%	0.15	16%	0.16	C	C	.	.	S	Bend	trans	-118.1	119.1	174.4	-80.5	178.4	121.2	0	0	111	D318 P319 R356 S357 Y361 T375	D318-E359 WeakPolarHBondContact OD1-CG 3.3Å; P319-E359 WeakPolarHBondContact CD-OE2 3.46Å; P319-E359 WeakPolarHBondContact CG-OE2 3.16Å; R356-E359 IonicContact CZ-OE2 3.42Å; R356-E359 IonicContact NH2-OE2 2.81Å; R356-E359 PolarHBondContact NH2-OE2 3.3Å; S357-E359 PolarHBondContact O-N 2.92Å; E359-Y361 HydrophobicContact CB-CD2 4.31Å; E359-Y361 HydrophobicContact CB-CE2 3.78Å; E359-Y361 WeakPolarHBondContact O-CD2 3.39Å; E359-T375 HydrophobicContact CB-CG2 4.11Å; E359-T375 WeakPolarHBondContact O-CG2 3.48Å
360	C	91.5	Very high	93.4	Very high	12 Å²	12	35.2 Å²	35.2	8%	0.081	19%	0.192	C	C	.	.			trans	-71.8	134.4	169.9	-174.2	0	0	0	0	110.1	W43 F377 Y382	W43-C360 WeakPolarHBondContact CZ2-O 3.4Å; C360-F377 HydrophobicContact CB-CD1 4.12Å; C360-F377 HydrophobicContact CB-CD2 3.92Å; C360-F377 HydrophobicContact CB-CE1 3.95Å; C360-F377 HydrophobicContact CB-CE2 3.73Å; C360-F377 HydrophobicContact CB-CG 4.11Å; C360-F377 HydrophobicContact CB-CZ 3.76Å; C360-Y382 HydrophobicContact CB-CD1 4.25Å
361	Y	88.5	Confident	93.3	Very high	50 Å²	50	32.7 Å²	32.7	20%	0.196	18%	0.178	C	C	.	.			trans	-123.9	156.1	169.4	-76.6	-91.9	0	0	0	110.1	E359 E363 G364 H366 T375	E359-Y361 HydrophobicContact CB-CD2 4.31Å; E359-Y361 HydrophobicContact CB-CE2 3.78Å; E359-Y361 WeakPolarHBondContact O-CD2 3.39Å; Y361-E363 PolarHBondContact O-N 3.14Å; Y361-G364 PolarHBondContact O-N 2.61Å; Y361-H366 HydrophobicContact CD1-CB 3.65Å; Y361-H366 AromaticContact CD1-CG 3.8Å; Y361-H366 HydrophobicContact CD2-CB 3.54Å; Y361-H366 HydrophobicContact CE1-CB 3.59Å; Y361-H366 AromaticContact CE1-CD2 3.6Å; Y361-H366 AromaticContact CE1-CG 3.38Å; Y361-H366 AromaticContact CE1-ND1 3.8Å; Y361-H366 HydrophobicContact CE2-CB 3.48Å; Y361-H366 VanDerWaalsContact CE2-CB 3.48Å; Y361-H366 HydrophobicContact CG-CB 3.61Å; Y361-H366 AromaticContact CZ-CD2 3.46Å; Y361-H366 VanDerWaalsContact CZ-CD2 3.46Å; Y361-H366 AromaticContact CZ-CG 3.52Å; Y361-H366 PolarHBondContact OH-CD2 2.9Å; Y361-H366 VanDerWaalsContact OH-CD2 3.28Å; Y361-T375 HydrophobicContact CD2-CG2 4.13Å; Y361-T375 HydrophobicContact CE2-CG2 3.97Å
362	M	82.7	Confident	93.4	Very high	87 Å²	87	34.6 Å²	34.6	43%	0.429	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.4	-176.8	-175.2	175.7	179.2	0	0	111.6	W43 G364 N388 E389	W43-M362 HydrophobicContact CE3-CB 4.39Å; W43-M362 HydrophobicContact CH2-CB 4.26Å; W43-M362 VanDerWaalsContact CH2-N 3.31Å; W43-M362 HydrophobicContact CZ3-CB 4.02Å; W43-M362 HydrophobicContact CZ3-CG 4.5Å; M362-G364 VanDerWaalsContact C-N 3.31Å; M362-N388 CarbonylContact O-C 3.56Å; M362-N388 VanDerWaalsContact O-CA 3.27Å; M362-N388 WeakPolarHBondContact O-CA 3.32Å; M362-E389 PolarHBondContact O-N 3.08Å
363	E	85.1	Confident	93.6	Very high	99 Å²	99	32.8 Å²	32.8	46%	0.463	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.2	178	-62.4	77.6	-173.4	0	0	113.5	Y361 W365	Y361-E363 PolarHBondContact O-N 3.14Å; E363-W365 PolarHBondContact O-N 3.37Å
364	G	91.5	Very high	93.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	75.5	-2.4	-173.7	0	0	0	0	0	114.1	Y361 M362 F377 E389 A391	Y361-G364 PolarHBondContact O-N 2.61Å; M362-G364 VanDerWaalsContact C-N 3.31Å; G364-F377 PolarHBondContact O-N 3.07Å; G364-F377 VanDerWaalsContact O-O 3.08Å; G364-E389 WeakPolarHBondContact CA-O 3.23Å; G364-E389 PolarHBondContact N-O 3.1Å; G364-A391 WeakPolarHBondContact O-CB 3.28Å
365	W	94.8	Very high	93.8	Very high	44 Å²	44	32.6 Å²	32.6	17%	0.167	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.4	177.6	64.9	-86.8	0	0	0	111.7	E363 I367 T375 I376 A391 I411 V412 V435	E363-W365 PolarHBondContact O-N 3.37Å; W365-I367 HydrophobicContact CE3-CD1 4.27Å; W365-I367 HydrophobicContact CE3-CG1 4.1Å; W365-I367 HydrophobicContact CZ3-CD1 3.75Å; W365-I367 HydrophobicContact CZ3-CG1 3.9Å; W365-T375 CarbonylContact C-O 3.57Å; W365-T375 WeakPolarHBondContact CA-O 3.37Å; W365-T375 WeakPolarHBondContact CB-O 3.2Å; W365-I376 HydrophobicContact CB-CD1 3.89Å; W365-A391 HydrophobicContact CB-CB 4.19Å; W365-A391 HydrophobicContact CG-CB 4.49Å; W365-I411 HydrophobicContact CZ2-CG2 4.23Å; W365-V412 HydrophobicContact CH2-CB 4.3Å; W365-V412 HydrophobicContact CH2-CG2 3.26Å; W365-V412 HydrophobicContact CZ2-CB 4.49Å; W365-V412 HydrophobicContact CZ2-CG2 3.41Å; W365-V412 VanDerWaalsContact CZ2-CG2 3.41Å; W365-V412 HydrophobicContact CZ3-CG2 3.96Å; W365-V435 HydrophobicContact CB-CG1 3.82Å; W365-V435 HydrophobicContact CD2-CG1 4.05Å; W365-V435 HydrophobicContact CG-CG1 3.54Å
366	H	93.8	Very high	93.7	Very high	65 Å²	65	32.6 Å²	32.6	30%	0.301	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.9	173.7	-170.1	63.3	0	0	0	111.9	Y361 T375	Y361-H366 HydrophobicContact CD1-CB 3.65Å; Y361-H366 AromaticContact CD1-CG 3.8Å; Y361-H366 HydrophobicContact CD2-CB 3.54Å; Y361-H366 HydrophobicContact CE1-CB 3.59Å; Y361-H366 AromaticContact CE1-CD2 3.6Å; Y361-H366 AromaticContact CE1-CG 3.38Å; Y361-H366 AromaticContact CE1-ND1 3.8Å; Y361-H366 HydrophobicContact CE2-CB 3.48Å; Y361-H366 VanDerWaalsContact CE2-CB 3.48Å; Y361-H366 HydrophobicContact CG-CB 3.61Å; Y361-H366 AromaticContact CZ-CD2 3.46Å; Y361-H366 VanDerWaalsContact CZ-CD2 3.46Å; Y361-H366 AromaticContact CZ-CG 3.52Å; Y361-H366 PolarHBondContact OH-CD2 2.9Å; Y361-H366 VanDerWaalsContact OH-CD2 3.28Å; H366-T375 PolarHBondContact N-O 3.48Å; H366-T375 PolarHBondContact O-N 3.42Å
367	I	93.8	Very high	93.7	Very high	44 Å²	44	32.8 Å²	32.8	23%	0.226	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	175.6	-67.2	167.9	0	0	0	108.8	W365 G371 V373 L374 V412 L414	W365-I367 HydrophobicContact CE3-CD1 4.27Å; W365-I367 HydrophobicContact CE3-CG1 4.1Å; W365-I367 HydrophobicContact CZ3-CD1 3.75Å; W365-I367 HydrophobicContact CZ3-CG1 3.9Å; I367-G371 VanDerWaalsContact CG2-CA 3.5Å; I367-V373 WeakPolarHBondContact CA-O 3.09Å; I367-L374 HydrophobicContact CG1-CD1 3.79Å; I367-V412 HydrophobicContact CD1-CG1 3.95Å; I367-L414 HydrophobicContact CD1-CD1 4.22Å; I367-L414 HydrophobicContact CD1-CD2 3.41Å; I367-L414 VanDerWaalsContact CD1-CD2 3.41Å; I367-L414 HydrophobicContact CD1-CG 4.28Å
368	S	94.1	Very high	93.7	Very high	13 Å²	13	32.8 Å²	32.8	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	176.8	178.6	64.2	0	0	0	0	111.8	S370 G371 K372 V373	S368-S370 PolarHBondContact O-N 3.02Å; S368-G371 PolarHBondContact O-N 3.47Å; S368-K372 PolarHBondContact O-N 3.09Å; S368-V373 PolarHBondContact N-O 2.87Å; S368-V373 PolarHBondContact O-N 3.11Å; S368-V373 WeakPolarHBondContact OG-CB 3.42Å
369	H	96.5	Very high	93.6	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.06	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	49.9	54.2	178.1	-56.4	175.6	0	0	0	113	Q320 F337 G338 P339 T342 G371 K372 V373	Q320-H369 PolarHBondContact O-NE2 2.97Å; F337-H369 AromaticContact CD2-CE1 3.69Å; F337-H369 AromaticContact CE2-CE1 3.67Å; F337-H369 PolarHBondContact O-CE1 3.2Å; G338-H369 VanDerWaalsContact C-CE1 3.42Å; G338-H369 PolarHBondContact O-CE1 3.47Å; P339-H369 HydrophobicContact CB-CB 3.98Å; T342-H369 HydrophobicContact CG2-CB 4.3Å; T342-H369 PolarHBondContact OG1-ND1 3.14Å; H369-G371 VanDerWaalsContact C-N 3.27Å; H369-G371 PolarHBondContact O-N 3.43Å; H369-K372 VanDerWaalsContact O-CB 3.31Å; H369-K372 WeakPolarHBondContact O-CB 3.29Å; H369-K372 WeakPolarHBondContact O-CG 3.17Å; H369-K372 PolarHBondContact O-N 3.39Å; H369-V373 HydrophobicContact CB-CG2 4.08Å
370	S	91.6	Very high	93.5	Very high	122 Å²	122	31.4 Å²	31.4	85%	0.853	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	58.4	34	177.1	-55	0	0	0	0	114.3	S368	S368-S370 PolarHBondContact O-N 3.02Å
371	G	90.2	Very high	93.2	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	90.4	3.2	178.4	0	0	0	0	0	114.9	M353 I367 S368 H369	M353-G371 VanDerWaalsContact CE-O 3.28Å; M353-G371 WeakPolarHBondContact CE-O 3.19Å; I367-G371 VanDerWaalsContact CG2-CA 3.5Å; S368-G371 PolarHBondContact O-N 3.47Å; H369-G371 VanDerWaalsContact C-N 3.27Å; H369-G371 PolarHBondContact O-N 3.43Å
372	K	94.6	Very high	93.2	Very high	64 Å²	64	31.6 Å²	31.6	28%	0.278	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-15.4	-174.5	-64.5	174.3	-176.8	-178.8	0	113.7	T342 D343 L346 M353 I354 S368 H369	T342-K372 HydrophobicContact CG2-CB 3.81Å; T342-K372 HydrophobicContact CG2-CD 4.41Å; D343-K372 WeakPolarHBondContact OD1-CD 3.43Å; D343-K372 WeakPolarHBondContact OD1-CE 3.48Å; D343-K372 IonicContact OD1-NZ 3.32Å; D343-K372 PolarHBondContact OD1-NZ 3.06Å; D343-K372 IonicContact OD2-NZ 2.8Å; D343-K372 PolarHBondContact OD2-NZ 3.27Å; L346-K372 HydrophobicContact CD1-CB 3.74Å; L346-K372 HydrophobicContact CD1-CD 4Å; L346-K372 HydrophobicContact CD1-CG 4.07Å; M353-K372 CarbonylContact C-O 3.44Å; M353-K372 WeakPolarHBondContact CA-O 3.5Å; I354-K372 PolarHBondContact N-O 2.95Å; S368-K372 PolarHBondContact O-N 3.09Å; H369-K372 VanDerWaalsContact O-CB 3.31Å; H369-K372 WeakPolarHBondContact O-CB 3.29Å; H369-K372 WeakPolarHBondContact O-CG 3.17Å; H369-K372 PolarHBondContact O-N 3.39Å
373	V	97	Very high	93	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	176.3	-178	0	0	0	0	109.1	F337 T342 I354 R356 I367 S368 H369	F337-V373 HydrophobicContact CE2-CG2 4.32Å; T342-V373 HydrophobicContact CG2-CG2 3.79Å; I354-V373 HydrophobicContact CB-CG2 4.36Å; I354-V373 HydrophobicContact CD1-CG2 4.46Å; I354-V373 WeakPolarHBondContact O-CA 2.97Å; R356-V373 HydrophobicContact CG-CG1 4.06Å; I367-V373 WeakPolarHBondContact CA-O 3.09Å; S368-V373 PolarHBondContact N-O 2.87Å; S368-V373 PolarHBondContact O-N 3.11Å; S368-V373 WeakPolarHBondContact OG-CB 3.42Å; H369-V373 HydrophobicContact CB-CG2 4.08Å
374	L	97.3	Very high	92.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120	173.7	171.9	63.6	0	0	0	109.1	M353 I354 I355 R356 I367 I376 A393 L414 V433 V435	M353-L374 HydrophobicContact SD-CB 4.35Å; I354-L374 PolarHBondContact O-N 3.32Å; I355-L374 CarbonylContact C-O 3.57Å; I355-L374 WeakPolarHBondContact CA-O 3.13Å; I355-L374 HydrophobicContact CD1-CD2 4.28Å; I355-L374 HydrophobicContact CG1-CB 4.28Å; I355-L374 HydrophobicContact CG1-CD2 4.26Å; I355-L374 HydrophobicContact CG2-CD2 4.46Å; R356-L374 PolarHBondContact N-O 2.9Å; I367-L374 HydrophobicContact CG1-CD1 3.79Å; L374-I376 HydrophobicContact CD1-CD1 3.92Å; L374-I376 HydrophobicContact CD2-CD1 4.08Å; L374-I376 HydrophobicContact CD2-CG1 4.25Å; L374-I376 HydrophobicContact CG-CD1 3.96Å; L374-I376 HydrophobicContact CG-CG1 4.06Å; L374-A393 HydrophobicContact CD2-CB 4.06Å; L374-L414 HydrophobicContact CD2-CD1 4.36Å; L374-V433 HydrophobicContact CD2-CG1 3.73Å; L374-V435 HydrophobicContact CD1-CG2 3.89Å; L374-V435 HydrophobicContact CD2-CG2 3.99Å
375	T	98.2	Very high	91.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.1	171.1	-57.4	0	0	0	0	109.7	R356 E359 Y361 W365 H366	R356-T375 HydrophobicContact CG-CG2 4.48Å; R356-T375 WeakPolarHBondContact CG-OG1 3.34Å; R356-T375 CarbonylContact O-C 3.51Å; R356-T375 WeakPolarHBondContact O-CA 3.41Å; E359-T375 HydrophobicContact CB-CG2 4.11Å; E359-T375 WeakPolarHBondContact O-CG2 3.48Å; Y361-T375 HydrophobicContact CD2-CG2 4.13Å; Y361-T375 HydrophobicContact CE2-CG2 3.97Å; W365-T375 CarbonylContact C-O 3.57Å; W365-T375 WeakPolarHBondContact CA-O 3.37Å; W365-T375 WeakPolarHBondContact CB-O 3.2Å; H366-T375 PolarHBondContact N-O 3.48Å; H366-T375 PolarHBondContact O-N 3.42Å
376	I	98.1	Very high	90.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.1	175.9	-61.3	-62.2	0	0	0	109.5	G155 I355 R356 S357 W365 L374 A391 A393 V435	G155-I376 WeakPolarHBondContact CA-O 3.27Å; I355-I376 HydrophobicContact CG2-CG1 4.36Å; R356-I376 PolarHBondContact O-N 2.97Å; S357-I376 VanDerWaalsContact CA-O 3.24Å; S357-I376 WeakPolarHBondContact CA-O 3.39Å; S357-I376 WeakPolarHBondContact CB-O 3.28Å; S357-I376 PolarHBondContact OG-O 3.33Å; S357-I376 VanDerWaalsContact OG-O 3.08Å; W365-I376 HydrophobicContact CB-CD1 3.89Å; L374-I376 HydrophobicContact CD1-CD1 3.92Å; L374-I376 HydrophobicContact CD2-CD1 4.08Å; L374-I376 HydrophobicContact CD2-CG1 4.25Å; L374-I376 HydrophobicContact CG-CD1 3.96Å; L374-I376 HydrophobicContact CG-CG1 4.06Å; I376-A391 WeakPolarHBondContact CG2-O 3.39Å; I376-A393 HydrophobicContact CD1-CB 3.96Å; I376-A393 HydrophobicContact CG1-CB 3.96Å; I376-V435 HydrophobicContact CD1-CG1 3.96Å; I376-V435 HydrophobicContact CD1-CG2 4.15Å
377	F	97.9	Very high	89.7	Confident	3 Å²	3	26.6 Å²	26.6	1%	0.013	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-131.9	116.2	176.1	-164.9	-88.7	0	0	0	108.7	D156 C360 G364 S379 Y382 A391	D156-F377 HydrophobicContact CB-CD2 3.69Å; D156-F377 HydrophobicContact CB-CE2 3.45Å; D156-F377 VanDerWaalsContact CB-CE2 3.45Å; D156-F377 HydrophobicContact CB-CG 4.45Å; D156-F377 HydrophobicContact CB-CZ 4.02Å; D156-F377 WeakPolarHBondContact OD2-CD2 3.16Å; D156-F377 WeakPolarHBondContact OD2-CE2 3.39Å; C360-F377 HydrophobicContact CB-CD1 4.12Å; C360-F377 HydrophobicContact CB-CD2 3.92Å; C360-F377 HydrophobicContact CB-CE1 3.95Å; C360-F377 HydrophobicContact CB-CE2 3.73Å; C360-F377 HydrophobicContact CB-CG 4.11Å; C360-F377 HydrophobicContact CB-CZ 3.76Å; G364-F377 PolarHBondContact O-N 3.07Å; G364-F377 VanDerWaalsContact O-O 3.08Å; F377-S379 WeakPolarHBondContact CD1-O 3.41Å; F377-S379 VanDerWaalsContact CE1-O 3.32Å; F377-S379 WeakPolarHBondContact CE1-O 3.45Å; F377-Y382 HydrophobicContact CE1-CD1 4.08Å; F377-Y382 HydrophobicContact CE1-CD2 4.06Å; F377-Y382 AromaticContact CE1-CG 3.74Å; F377-Y382 HydrophobicContact CE1-CG 3.74Å; F377-Y382 AromaticContact CZ-CD1 3.8Å; F377-Y382 HydrophobicContact CZ-CD1 3.8Å; F377-Y382 AromaticContact CZ-CD2 3.86Å; F377-Y382 HydrophobicContact CZ-CD2 3.86Å; F377-Y382 AromaticContact CZ-CE1 3.98Å; F377-Y382 HydrophobicContact CZ-CE1 3.98Å; F377-Y382 HydrophobicContact CZ-CE2 4.05Å; F377-Y382 AromaticContact CZ-CG 3.75Å; F377-Y382 HydrophobicContact CZ-CG 3.75Å; F377-A391 PolarHBondContact O-N 2.84Å
378	S	98	Very high	89.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.			trans	-93.9	-23	-167.6	-65	0	0	0	0	113.7	C154 G155 D156 F380 G390 A391 L438	C154-S378 WeakPolarHBondContact CA-OG 3.48Å; G155-S378 PolarHBondContact N-OG 3.42Å; D156-S378 CarbonylContact O-C 3.58Å; D156-S378 PolarHBondContact O-N 3.23Å; S378-F380 PolarHBondContact O-N 3.27Å; S378-G390 WeakPolarHBondContact O-CA 3.31Å; S378-A391 WeakPolarHBondContact CA-O 3.33Å; S378-A391 WeakPolarHBondContact CB-O 3.24Å; S378-A391 PolarHBondContact OG-O 2.96Å; S378-L438 WeakPolarHBondContact O-CD1 3.34Å
379	S	95.7	Very high	89.1	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.028	15%	0.146	C	C	.	.			trans	-71.7	110.4	175.9	-169.4	0	0	0	0	111.4	D156 L157 N160 F377 N388	D156-S379 PolarHBondContact O-N 2.73Å; L157-S379 PolarHBondContact O-OG 3.05Å; N160-S379 VanDerWaalsContact CB-OG 3.28Å; N160-S379 WeakPolarHBondContact CB-OG 3.32Å; N160-S379 PolarHBondContact ND2-OG 3.13Å; F377-S379 WeakPolarHBondContact CD1-O 3.41Å; F377-S379 VanDerWaalsContact CE1-O 3.32Å; F377-S379 WeakPolarHBondContact CE1-O 3.45Å; S379-N388 PolarHBondContact O-ND2 2.82Å
380	F	92	Very high	89	Confident	11 Å²	11	26.3 Å²	26.3	5%	0.048	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	159.3	168.7	50.4	-102.1	0	0	0	111.9	N160 L162 A163 S378 Y382 L438 K440	N160-F380 PolarHBondContact ND2-O 3.14Å; L162-F380 HydrophobicContact CB-CZ 4.17Å; L162-F380 HydrophobicContact CD2-CE2 3.99Å; L162-F380 HydrophobicContact CD2-CZ 3.87Å; L162-F380 HydrophobicContact CG-CE2 4.42Å; L162-F380 HydrophobicContact CG-CZ 3.85Å; A163-F380 HydrophobicContact CB-CD1 3.99Å; A163-F380 HydrophobicContact CB-CE1 3.68Å; A163-F380 HydrophobicContact CB-CZ 4.22Å; S378-F380 PolarHBondContact O-N 3.27Å; F380-Y382 PolarHBondContact O-N 3.33Å; F380-Y382 VanDerWaalsContact O-N 3.15Å; F380-L438 HydrophobicContact CD1-CB 4.3Å; F380-L438 HydrophobicContact CD1-CD1 4.29Å; F380-L438 HydrophobicContact CE1-CD1 4.49Å; F380-K440 HydrophobicContact CD2-CG 4.29Å; F380-K440 HydrophobicContact CG-CG 4.28Å
381	D	86.3	Confident	89.2	Confident	31 Å²	31	20.5 Å²	20.5	17%	0.166	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	32.2	178.7	-58.6	-22.8	0	0	0	112.4	F383 T384 L385 R386 S387 N388 K440	D381-F383 PolarHBondContact O-N 3.3Å; D381-T384 CarbonylContact C-O 3.5Å; D381-T384 VanDerWaalsContact CA-O 3.28Å; D381-T384 WeakPolarHBondContact CA-O 3.43Å; D381-T384 WeakPolarHBondContact CB-O 3.41Å; D381-T384 CarbonylContact O-C 3.51Å; D381-T384 PolarHBondContact O-N 3.17Å; D381-L385 WeakPolarHBondContact OD2-CD1 3.3Å; D381-R386 VanDerWaalsContact CG-N 3.28Å; D381-R386 WeakPolarHBondContact OD1-CA 3.15Å; D381-R386 PolarHBondContact OD1-N 2.63Å; D381-S387 VanDerWaalsContact C-OG 3.31Å; D381-N388 PolarHBondContact N-O 2.95Å; D381-N388 PolarHBondContact N-OD1 3.28Å; D381-K440 IonicContact OD1-NZ 2.69Å; D381-K440 PolarHBondContact OD1-NZ 3.06Å
382	Y	87	Confident	89.5	Confident	35 Å²	35	19.5 Å²	19.5	14%	0.137	9%	0.09	C	C	.	.	S	Bend	trans	-57.3	-43.5	-168.3	175.9	-120.9	0	0	0	113.1	E50 H158 R189 C360 F377 F380 S387 N388	E50-Y382 WeakPolarHBondContact OE1-CE1 3.15Å; E50-Y382 PolarHBondContact OE1-OH 3.14Å; H158-Y382 HydrophobicContact CB-CD2 4.47Å; H158-Y382 HydrophobicContact CB-CE2 3.87Å; H158-Y382 AromaticContact CD2-CE2 3.45Å; H158-Y382 VanDerWaalsContact CD2-CE2 3.45Å; H158-Y382 WeakPolarHBondContact CD2-CE2 3.41Å; H158-Y382 AromaticContact CD2-CZ 3.79Å; H158-Y382 AromaticContact CG-CE2 3.9Å; R189-Y382 HydrophobicContact CB-CE2 4.03Å; R189-Y382 HydrophobicContact CG-CE2 4.28Å; R189-Y382 WeakPolarHBondContact CG-OH 3.5Å; C360-Y382 HydrophobicContact CB-CD1 4.25Å; F377-Y382 HydrophobicContact CE1-CD1 4.08Å; F377-Y382 HydrophobicContact CE1-CD2 4.06Å; F377-Y382 AromaticContact CE1-CG 3.74Å; F377-Y382 HydrophobicContact CE1-CG 3.74Å; F377-Y382 AromaticContact CZ-CD1 3.8Å; F377-Y382 HydrophobicContact CZ-CD1 3.8Å; F377-Y382 AromaticContact CZ-CD2 3.86Å; F377-Y382 HydrophobicContact CZ-CD2 3.86Å; F377-Y382 AromaticContact CZ-CE1 3.98Å; F377-Y382 HydrophobicContact CZ-CE1 3.98Å; F377-Y382 HydrophobicContact CZ-CE2 4.05Å; F377-Y382 AromaticContact CZ-CG 3.75Å; F377-Y382 HydrophobicContact CZ-CG 3.75Å; F380-Y382 PolarHBondContact O-N 3.33Å; F380-Y382 VanDerWaalsContact O-N 3.15Å; Y382-S387 PolarHBondContact N-OG 3.47Å; Y382-N388 VanDerWaalsContact CB-OD1 3.29Å; Y382-N388 WeakPolarHBondContact CB-OD1 3.39Å; Y382-N388 PolarHBondContact N-OD1 3.42Å
383	F	79.1	Confident	89.6	Confident	51 Å²	51	16.5 Å²	16.5	22%	0.224	8%	0.077	C	C	.	.	S	Bend	trans	-87.9	-40.4	175.8	-60.9	-67.4	0	0	0	112	W43 N46 Q47 E50 D381 S387	W43-F383 HydrophobicContact CH2-CE2 4.22Å; W43-F383 HydrophobicContact CZ3-CE2 4.35Å; N46-F383 HydrophobicContact CB-CB 4.24Å; N46-F383 HydrophobicContact CB-CD1 3.8Å; N46-F383 HydrophobicContact CB-CD2 3.78Å; N46-F383 HydrophobicContact CB-CE1 4.03Å; N46-F383 HydrophobicContact CB-CE2 4Å; N46-F383 HydrophobicContact CB-CG 3.67Å; N46-F383 HydrophobicContact CB-CZ 4.12Å; Q47-F383 HydrophobicContact CG-CZ 4.28Å; E50-F383 HydrophobicContact CB-CE1 4.16Å; E50-F383 HydrophobicContact CG-CE1 4.37Å; D381-F383 PolarHBondContact O-N 3.3Å; F383-S387 PolarHBondContact N-OG 3.2Å; F383-S387 VanDerWaalsContact N-OG 3.14Å
384	T	74.2	Confident	89.4	Confident	32 Å²	32	17.1 Å²	17.1	20%	0.196	8%	0.081	C	C	.	.	S	Bend	trans	-166	161.3	-176.5	163.2	0	0	0	0	108.1	D381 R386 S387 P455 M458	D381-T384 CarbonylContact C-O 3.5Å; D381-T384 VanDerWaalsContact CA-O 3.28Å; D381-T384 WeakPolarHBondContact CA-O 3.43Å; D381-T384 WeakPolarHBondContact CB-O 3.41Å; D381-T384 CarbonylContact O-C 3.51Å; D381-T384 PolarHBondContact O-N 3.17Å; T384-R386 PolarHBondContact O-N 3.35Å; T384-R386 VanDerWaalsContact O-N 3.14Å; T384-S387 PolarHBondContact N-OG 3.32Å; T384-S387 VanDerWaalsContact O-CB 3.23Å; T384-S387 WeakPolarHBondContact O-CB 3.41Å; T384-S387 PolarHBondContact O-N 3.01Å; T384-S387 PolarHBondContact O-OG 3.44Å; T384-P455 HydrophobicContact CG2-CB 4.14Å; T384-M458 HydrophobicContact CG2-CB 4.44Å
385	L	73.3	Confident	89.2	Confident	26 Å²	26	17.1 Å²	17.1	14%	0.136	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.2	124	169.3	177.9	56.5	0	0	0	111.2	F77 D381 S387 P455	F77-L385 HydrophobicContact CE1-CB 4.43Å; D381-L385 WeakPolarHBondContact OD2-CD1 3.3Å; L385-S387 VanDerWaalsContact C-N 3.3Å; L385-S387 PolarHBondContact O-N 2.93Å; L385-P455 VanDerWaalsContact O-CG 3.28Å; L385-P455 WeakPolarHBondContact O-CG 3.37Å
386	R	73.3	Confident	88.7	Confident	72 Å²	72	17.1 Å²	17.1	27%	0.272	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	21	-178.4	-54.7	168.1	73.4	178.3	20.1	115.6	D381 T384 T451 P455	D381-R386 VanDerWaalsContact CG-N 3.28Å; D381-R386 WeakPolarHBondContact OD1-CA 3.15Å; D381-R386 PolarHBondContact OD1-N 2.63Å; T384-R386 PolarHBondContact O-N 3.35Å; T384-R386 VanDerWaalsContact O-N 3.14Å; R386-T451 PolarHBondContact NH1-O 3.27Å; R386-P455 HydrophobicContact CB-CG 3.67Å; R386-P455 WeakPolarHBondContact O-CG 3.36Å
387	S	75.8	Confident	87.5	Confident	9 Å²	9	17.3 Å²	17.3	6%	0.063	8%	0.083	C	C	.	.	S	Bend	trans	-66.5	-40.5	175.3	56	0	0	0	0	112.8	D381 Y382 F383 T384 L385	D381-S387 VanDerWaalsContact C-OG 3.31Å; Y382-S387 PolarHBondContact N-OG 3.47Å; F383-S387 PolarHBondContact N-OG 3.2Å; F383-S387 VanDerWaalsContact N-OG 3.14Å; T384-S387 PolarHBondContact N-OG 3.32Å; T384-S387 VanDerWaalsContact O-CB 3.23Å; T384-S387 WeakPolarHBondContact O-CB 3.41Å; T384-S387 PolarHBondContact O-N 3.01Å; T384-S387 PolarHBondContact O-OG 3.44Å; L385-S387 VanDerWaalsContact C-N 3.3Å; L385-S387 PolarHBondContact O-N 2.93Å
388	N	85.8	Confident	85.8	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.086	C	C	.	.			trans	-156.1	157.5	-177	64.4	-68.4	0	0	0	110.3	W43 M362 S379 D381 Y382 K440	W43-N388 HydrophobicContact CH2-CB 4.06Å; W43-N388 HydrophobicContact CZ3-CB 4.06Å; M362-N388 CarbonylContact O-C 3.56Å; M362-N388 VanDerWaalsContact O-CA 3.27Å; M362-N388 WeakPolarHBondContact O-CA 3.32Å; S379-N388 PolarHBondContact O-ND2 2.82Å; D381-N388 PolarHBondContact N-O 2.95Å; D381-N388 PolarHBondContact N-OD1 3.28Å; Y382-N388 VanDerWaalsContact CB-OD1 3.29Å; Y382-N388 WeakPolarHBondContact CB-OD1 3.39Å; Y382-N388 PolarHBondContact N-OD1 3.42Å; N388-K440 PolarHBondContact O-NZ 2.87Å
389	E	88.9	Confident	83.5	Confident	63 Å²	63	24.8 Å²	24.8	29%	0.294	12%	0.118	S	C	.	.			trans	-79.6	158.9	166.2	-56.2	-50.5	126.5	0	0	110.6	M362 G364 V437 K440	M362-E389 PolarHBondContact O-N 3.08Å; G364-E389 WeakPolarHBondContact CA-O 3.23Å; G364-E389 PolarHBondContact N-O 3.1Å; E389-V437 HydrophobicContact CB-CG1 3.82Å; E389-V437 HydrophobicContact CB-CG2 4.48Å; E389-V437 HydrophobicContact CG-CG1 4.18Å; E389-K440 IonicContact OE1-NZ 3.24Å; E389-K440 PolarHBondContact OE1-NZ 3.41Å; E389-K440 WeakPolarHBondContact OE2-CE 3.4Å; E389-K440 IonicContact OE2-NZ 2.96Å; E389-K440 PolarHBondContact OE2-NZ 3.3Å
390	G	93.9	Very high	81	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.			trans	-110.3	140.9	171.7	0	0	0	0	0	108.1	S378 V437 L438	S378-G390 WeakPolarHBondContact O-CA 3.31Å; G390-V437 CarbonylContact O-C 3.19Å; G390-V437 WeakPolarHBondContact O-CA 3.44Å; G390-L438 WeakPolarHBondContact O-CB 3.48Å; G390-L438 PolarHBondContact O-N 3.21Å
391	A	95.9	Very high	78.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	161.5	-177.7	0	0	0	0	0	112.6	G364 W365 I376 F377 S378 V435 F436 V437	G364-A391 WeakPolarHBondContact O-CB 3.28Å; W365-A391 HydrophobicContact CB-CB 4.19Å; W365-A391 HydrophobicContact CG-CB 4.49Å; I376-A391 WeakPolarHBondContact CG2-O 3.39Å; F377-A391 PolarHBondContact O-N 2.84Å; S378-A391 WeakPolarHBondContact CA-O 3.33Å; S378-A391 WeakPolarHBondContact CB-O 3.24Å; S378-A391 PolarHBondContact OG-O 2.96Å; A391-V435 HydrophobicContact CB-CG1 4.17Å; A391-F436 CarbonylContact C-O 3.49Å; A391-F436 WeakPolarHBondContact CA-O 3.36Å; A391-F436 VanDerWaalsContact CB-O 3.3Å; A391-F436 WeakPolarHBondContact CB-O 3.39Å; A391-V437 HydrophobicContact CB-CG2 4.49Å
392	Y	97	Very high	76.4	Confident	7 Å²	7	40 Å²	40	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.8	165.9	63	-89.4	0	0	0	109.9	I152 I153 T171 F436 L438	I152-Y392 HydrophobicContact CD1-CD2 4.43Å; I152-Y392 HydrophobicContact CD1-CE2 4.33Å; I152-Y392 HydrophobicContact CG2-CD2 3.85Å; I152-Y392 HydrophobicContact CG2-CG 4.25Å; I153-Y392 WeakPolarHBondContact O-CA 2.99Å; T171-Y392 HydrophobicContact CG2-CD2 4.1Å; T171-Y392 HydrophobicContact CG2-CE1 4.1Å; T171-Y392 HydrophobicContact CG2-CE2 3.45Å; T171-Y392 VanDerWaalsContact CG2-CE2 3.45Å; T171-Y392 VanDerWaalsContact CG2-CZ 3.45Å; Y392-F436 HydrophobicContact CD1-CB 4.21Å; Y392-F436 HydrophobicContact CD2-CB 4.22Å; Y392-F436 HydrophobicContact CD2-CD2 4.24Å; Y392-F436 HydrophobicContact CE1-CB 3.68Å; Y392-F436 HydrophobicContact CE2-CB 3.68Å; Y392-F436 AromaticContact CE2-CD2 3.63Å; Y392-F436 HydrophobicContact CE2-CD2 3.63Å; Y392-F436 AromaticContact CE2-CG 3.83Å; Y392-F436 HydrophobicContact CE2-CG 3.83Å; Y392-F436 HydrophobicContact CG-CB 4.46Å; Y392-F436 AromaticContact CZ-CG 3.82Å; Y392-F436 PolarHBondContact N-O 2.68Å; Y392-F436 PolarHBondContact O-N 3.31Å; Y392-L438 HydrophobicContact CD1-CD2 3.64Å; Y392-L438 HydrophobicContact CD1-CG 4.01Å; Y392-L438 HydrophobicContact CE1-CD2 3.73Å; Y392-L438 HydrophobicContact CE1-CG 4.37Å
393	A	95.8	Very high	74.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.7	169.2	0	0	0	0	0	110.3	I152 I153 L374 I376 V433 N434	I152-A393 CarbonylContact C-O 3.57Å; I152-A393 WeakPolarHBondContact CA-O 3.2Å; I153-A393 HydrophobicContact CB-CB 4.28Å; I153-A393 PolarHBondContact N-O 3.28Å; I153-A393 PolarHBondContact O-N 2.92Å; L374-A393 HydrophobicContact CD2-CB 4.06Å; I376-A393 HydrophobicContact CD1-CB 3.96Å; I376-A393 HydrophobicContact CG1-CB 3.96Å; A393-V433 HydrophobicContact CB-CG1 4.47Å; A393-N434 CarbonylContact C-O 3.58Å; A393-N434 VanDerWaalsContact CA-O 3.31Å; A393-N434 WeakPolarHBondContact CA-O 3.25Å
394	C	94.4	Very high	72.5	Confident	14 Å²	14	44.7 Å²	44.7	10%	0.095	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.6	170.9	-177.8	0	0	0	0	108.7	L151 I152 N434 F436	L151-C394 CarbonylContact O-C 3.47Å; L151-C394 WeakPolarHBondContact O-CA 3.45Å; I152-C394 HydrophobicContact CD1-CB 3.99Å; C394-N434 PolarHBondContact N-O 3.14Å; C394-N434 PolarHBondContact O-N 2.73Å; C394-F436 HydrophobicContact CB-CD2 4.11Å; C394-F436 HydrophobicContact CB-CE2 3.7Å
395	V	93	Very high	70.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.5	177.6	-175	0	0	0	0	108.9	L145 H150 L151 I153 I265 I355 I431 Y432 V433	L145-V395 HydrophobicContact CD1-CB 4.25Å; L145-V395 HydrophobicContact CD1-CG1 3.82Å; H150-V395 CarbonylContact C-O 3.49Å; H150-V395 WeakPolarHBondContact CA-O 3.31Å; L151-V395 HydrophobicContact CB-CB 4.2Å; L151-V395 PolarHBondContact N-O 3.27Å; L151-V395 PolarHBondContact O-N 3.41Å; I153-V395 HydrophobicContact CD1-CG2 3.61Å; I153-V395 HydrophobicContact CG1-CG2 4.48Å; I265-V395 HydrophobicContact CD1-CG1 3.81Å; I265-V395 HydrophobicContact CD1-CG2 4.29Å; I355-V395 HydrophobicContact CD1-CG2 4.2Å; V395-I431 HydrophobicContact CG1-CG2 3.33Å; V395-Y432 CarbonylContact C-O 3.49Å; V395-Y432 VanDerWaalsContact CA-O 3.27Å; V395-Y432 WeakPolarHBondContact CA-O 3.32Å; V395-V433 HydrophobicContact CG1-CG2 4.45Å; V395-V433 HydrophobicContact CG2-CG1 4.41Å; V395-V433 HydrophobicContact CG2-CG2 4.18Å
396	T	87	Confident	69.2	Low	1 Å²	1	49.3 Å²	49.3	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.5	-174.5	67.1	0	0	0	0	111.4	H150 I403 I431 Y432	H150-T396 HydrophobicContact CB-CG2 4.42Å; T396-I403 HydrophobicContact CG2-CD1 3.48Å; T396-I403 VanDerWaalsContact CG2-CD1 3.48Å; T396-I431 WeakPolarHBondContact O-CA 3.41Å; T396-Y432 PolarHBondContact N-O 2.89Å; T396-Y432 PolarHBondContact O-N 3.35Å
397	G	72.9	Confident	67.9	Low	3 Å²	3	48.3 Å²	48.3	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.9	168.7	0	0	0	0	0	111.4	H149	H149-G397 PolarHBondContact O-N 3.44Å
398	G	63	Low	66.6	Low	8 Å²	8	53.4 Å²	53.4	8%	0.082	29%	0.288	C	S	.	.	S	Bend	trans	76.7	161.5	170.6	0	0	0	0	0	115	D147 S400 N430 Y432	D147-G398 VanDerWaalsContact OD1-CA 3.29Å; D147-G398 WeakPolarHBondContact OD1-CA 3.32Å; G398-S400 PolarHBondContact O-N 2.88Å; G398-N430 PolarHBondContact N-O 3.35Å; G398-Y432 WeakPolarHBondContact O-CD2 3.27Å; G398-Y432 WeakPolarHBondContact O-CE2 3.19Å
399	K	48.8	Very low	65.1	Low	152 Å²	152	56.1 Å²	56.1	66%	0.661	30%	0.302	S	S	*	.			trans	-63.3	105.4	171.5	-88.1	-175.5	179.8	-178.5	0	106.9	N401 Y432	K399-N401 PolarHBondContact O-N 2.9Å; K399-Y432 HydrophobicContact CG-CE2 4.49Å; K399-Y432 WeakPolarHBondContact CG-OH 3.41Å
400	S	43.8	Very low	63.4	Low	37 Å²	37	54.5 Å²	54.5	26%	0.259	30%	0.3	S	S	.	.			trans	-62.3	69	167.8	60.9	0	0	0	0	110.4	G398 E402	G398-S400 PolarHBondContact O-N 2.88Å; S400-E402 PolarHBondContact O-N 2.75Å
401	N	41	Very low	62.1	Low	148 Å²	148	59.1 Å²	59.1	79%	0.791	32%	0.324	S	S	*	.	S	Bend	trans	-72.1	-13.2	165	-79.9	-5.9	0	0	0	110.5	K399	K399-N401 PolarHBondContact O-N 2.9Å
402	E	41.2	Very low	60.7	Low	182 Å²	182	60.7 Å²	60.7	85%	0.85	33%	0.333	S	S	*	.	S	Bend	trans	-120.4	-11.3	-177.7	-69.3	-169.8	170.7	0	0	115.4	S400 N404	S400-E402 PolarHBondContact O-N 2.75Å; E402-N404 VanDerWaalsContact C-N 3.26Å; E402-N404 PolarHBondContact O-N 2.81Å
403	I	44.4	Very low	59.4	Low	59 Å²	59	64.1 Å²	64.1	30%	0.303	36%	0.358	S	S	.	.	S	Bend	trans	-71.1	105.8	159.8	-47.4	174.6	0	0	0	103.5	H150 T396 V405	H150-I403 WeakPolarHBondContact CE1-CD1 3.36Å; H150-I403 VanDerWaalsContact ND1-CD1 3.32Å; H150-I403 WeakPolarHBondContact ND1-CD1 3.45Å; T396-I403 HydrophobicContact CG2-CD1 3.48Å; T396-I403 VanDerWaalsContact CG2-CD1 3.48Å; I403-V405 HydrophobicContact CB-CG2 4.09Å; I403-V405 HydrophobicContact CG2-CG2 3.93Å; I403-V405 PolarHBondContact O-N 2.99Å
404	N	38.5	Very low	58.1	Low	124 Å²	124	65.4 Å²	65.4	66%	0.663	37%	0.365	S	S	*	.			trans	-48.2	70.4	150.5	-84.2	-29	0	0	0	109.2	E402 T406 N407	E402-N404 VanDerWaalsContact C-N 3.26Å; E402-N404 PolarHBondContact O-N 2.81Å; N404-T406 VanDerWaalsContact CB-OG1 3.24Å; N404-T406 WeakPolarHBondContact CB-OG1 3.35Å; N404-T406 CarbonylContact O-C 3.52Å; N404-T406 PolarHBondContact O-N 3.32Å; N404-N407 PolarHBondContact O-N 3.11Å
405	V	40.2	Very low	56.4	Low	53 Å²	53	74.8 Å²	74.8	32%	0.321	40%	0.4	S	S	.	.			trans	-65.5	21.8	148.9	-162.2	0	0	0	0	108.5	I403 N407 A410	I403-V405 HydrophobicContact CB-CG2 4.09Å; I403-V405 HydrophobicContact CG2-CG2 3.93Å; I403-V405 PolarHBondContact O-N 2.99Å; V405-N407 PolarHBondContact O-N 2.66Å; V405-A410 HydrophobicContact CG1-CB 3.63Å
406	T	39.5	Very low	54.8	Low	102 Å²	102	77.6 Å²	77.6	63%	0.626	42%	0.418	S	S	*	.			trans	-71.2	18.3	141.4	68.7	0	0	0	0	111.9	N404 P408	N404-T406 VanDerWaalsContact CB-OG1 3.24Å; N404-T406 WeakPolarHBondContact CB-OG1 3.35Å; N404-T406 CarbonylContact O-C 3.52Å; N404-T406 PolarHBondContact O-N 3.32Å; T406-P408 VanDerWaalsContact C-N 3.35Å; T406-P408 WeakPolarHBondContact O-CD 3.3Å
407	N	45.4	Very low	53.6	Low	52 Å²	52	78.9 Å²	78.9	28%	0.278	42%	0.424	S	S	.	.			trans	-72	100.3	150.5	-172.1	-10.1	0	0	0	105.4	N404 V405 N409 A410 F436	N404-N407 PolarHBondContact O-N 3.11Å; V405-N407 PolarHBondContact O-N 2.66Å; N407-N409 PolarHBondContact O-N 3.38Å; N407-N409 WeakPolarHBondContact OD1-CB 3.28Å; N407-N409 PolarHBondContact OD1-N 3.05Å; N407-A410 PolarHBondContact O-N 2.9Å; N407-A410 VanDerWaalsContact O-N 3.08Å; N407-F436 HydrophobicContact CB-CE1 4.07Å
408	P	49	Very low	52.8	Low	116 Å²	116	85 Å²	85	75%	0.753	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-4.7	-174.9	29.6	-37.1	0	0	0	113	T406	T406-P408 VanDerWaalsContact C-N 3.35Å; T406-P408 WeakPolarHBondContact O-CD 3.3Å
409	N	52.8	Low	52.3	Low	58 Å²	58	85 Å²	85	31%	0.31	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.5	179	-57.6	-14.1	0	0	0	114	N407 I411 I439	N407-N409 PolarHBondContact O-N 3.38Å; N407-N409 WeakPolarHBondContact OD1-CB 3.28Å; N407-N409 PolarHBondContact OD1-N 3.05Å; N409-I411 WeakPolarHBondContact O-CG1 3.23Å; N409-I411 PolarHBondContact O-N 2.8Å; N409-I411 VanDerWaalsContact O-N 3.1Å; N409-I439 WeakPolarHBondContact ND2-CD1 3.29Å
410	A	53.6	Low	52.6	Low	29 Å²	29	81.7 Å²	81.7	24%	0.24	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	111.9	170.5	0	0	0	0	0	109.4	V405 N407 F436	V405-A410 HydrophobicContact CG1-CB 3.63Å; N407-A410 PolarHBondContact O-N 2.9Å; N407-A410 VanDerWaalsContact O-N 3.08Å; A410-F436 HydrophobicContact CB-CD1 4.06Å; A410-F436 HydrophobicContact CB-CE1 3.48Å; A410-F436 VanDerWaalsContact CB-CE1 3.48Å; A410-F436 HydrophobicContact CB-CZ 3.98Å
411	I	66.4	Low	52.9	Low	97 Å²	97	81.8 Å²	81.8	50%	0.497	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-38.3	-172.7	-52.2	-163.8	0	0	0	111.1	W365 N409 V435 V437	W365-I411 HydrophobicContact CZ2-CG2 4.23Å; N409-I411 WeakPolarHBondContact O-CG1 3.23Å; N409-I411 PolarHBondContact O-N 2.8Å; N409-I411 VanDerWaalsContact O-N 3.1Å; I411-V435 PolarHBondContact N-O 2.94Å; I411-V435 VanDerWaalsContact N-O 3.11Å; I411-V437 HydrophobicContact CD1-CB 3.79Å; I411-V437 HydrophobicContact CD1-CG2 3.29Å; I411-V437 HydrophobicContact CG1-CG2 4.28Å
412	V	67.9	Low	53.5	Low	33 Å²	33	82.6 Å²	82.6	20%	0.2	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.4	-177.3	178.3	0	0	0	0	110.5	W365 I367 L414 N434 V435	W365-V412 HydrophobicContact CH2-CB 4.3Å; W365-V412 HydrophobicContact CH2-CG2 3.26Å; W365-V412 HydrophobicContact CZ2-CB 4.49Å; W365-V412 HydrophobicContact CZ2-CG2 3.41Å; W365-V412 VanDerWaalsContact CZ2-CG2 3.41Å; W365-V412 HydrophobicContact CZ3-CG2 3.96Å; I367-V412 HydrophobicContact CD1-CG1 3.95Å; V412-L414 HydrophobicContact CG1-CD2 4.05Å; V412-L414 HydrophobicContact CG1-CG 4.4Å; V412-N434 CarbonylContact O-C 3.59Å; V412-N434 WeakPolarHBondContact O-CA 3.46Å; V412-V435 PolarHBondContact O-N 2.96Å
413	S	69	Low	54.2	Low	79 Å²	79	79.3 Å²	79.3	55%	0.552	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.3	168	-62.3	0	0	0	0	108.7	N434	S413-N434 WeakPolarHBondContact CA-OD1 3.44Å; S413-N434 WeakPolarHBondContact CB-OD1 3.34Å; S413-N434 PolarHBondContact OG-OD1 3.29Å
414	L	69.4	Low	54.6	Low	27 Å²	27	82.6 Å²	82.6	14%	0.141	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-81	148.2	174.5	-60.7	170.5	0	0	0	109.9	M353 I367 L374 V412 V433	M353-L414 HydrophobicContact CE-CB 4.49Å; M353-L414 HydrophobicContact CE-CD1 3.5Å; M353-L414 VanDerWaalsContact CE-CD1 3.5Å; M353-L414 HydrophobicContact CE-CG 4.5Å; M353-L414 HydrophobicContact SD-CD1 4.11Å; I367-L414 HydrophobicContact CD1-CD1 4.22Å; I367-L414 HydrophobicContact CD1-CD2 3.41Å; I367-L414 VanDerWaalsContact CD1-CD2 3.41Å; I367-L414 HydrophobicContact CD1-CG 4.28Å; L374-L414 HydrophobicContact CD2-CD1 4.36Å; V412-L414 HydrophobicContact CG1-CD2 4.05Å; V412-L414 HydrophobicContact CG1-CG 4.4Å; L414-V433 HydrophobicContact CB-CB 4.36Å; L414-V433 HydrophobicContact CD1-CB 4.17Å; L414-V433 HydrophobicContact CD1-CG1 4.11Å; L414-V433 PolarHBondContact N-O 3.44Å
415	Y	58.5	Low	55.2	Low	210 Å²	210	86.2 Å²	86.2	82%	0.824	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-56.1	144.6	179.9	-73.6	-79.6	0	0	0	110.8	L417	Y415-L417 PolarHBondContact O-N 3.44Å
416	P	58.1	Low	55.8	Low	60 Å²	60	89 Å²	89	39%	0.39	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-55.9	126.7	-179.9	15.9	-26.8	0	0	0	111.7	N430 I431 Y432	P416-N430 HydrophobicContact CB-CB 4.21Å; P416-I431 CarbonylContact C-O 3.37Å; P416-I431 WeakPolarHBondContact CA-O 3.49Å; P416-Y432 HydrophobicContact CB-CD1 4.01Å; P416-Y432 HydrophobicContact CB-CE1 3.51Å; P416-Y432 HydrophobicContact CB-CE2 4.31Å; P416-Y432 HydrophobicContact CG-CE1 3.78Å
417	L	62	Low	56.6	Low	27 Å²	27	89.1 Å²	89.1	14%	0.141	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	116	171.3	-54.7	173.2	0	0	0	107.7	I265 M353 Y415 C419 I431 V433	I265-L417 HydrophobicContact CD1-CD1 4.07Å; I265-L417 HydrophobicContact CG1-CD1 4.03Å; M353-L417 HydrophobicContact CB-CD1 4.21Å; Y415-L417 PolarHBondContact O-N 3.44Å; L417-C419 PolarHBondContact O-N 3.45Å; L417-I431 HydrophobicContact CB-CB 4.38Å; L417-I431 PolarHBondContact N-O 3.37Å; L417-I431 PolarHBondContact O-N 3.39Å; L417-V433 HydrophobicContact CD1-CG2 4.21Å
418	K	56.8	Low	57.5	Low	132 Å²	132	89.5 Å²	89.5	57%	0.574	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.8	-179	-167.9	177.4	-178.4	-178.6	0	110.6	R264 V420	R264-K418 PolarHBondContact NE-O 3.03Å; R264-K418 PolarHBondContact NH2-O 3Å; K418-V420 HydrophobicContact CG-CG2 4.43Å
419	C	53	Low	58.3	Low	9 Å²	9	85.1 Å²	85.1	6%	0.061	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117	174.3	-47.4	0	0	0	0	108.6	R264 L417 S428 L429 I431	R264-C419 HydrophobicContact CG-CB 4.21Å; L417-C419 PolarHBondContact O-N 3.45Å; C419-S428 CarbonylContact O-C 3.59Å; C419-S428 WeakPolarHBondContact O-CA 3.21Å; C419-S428 WeakPolarHBondContact O-CB 3.46Å; C419-L429 WeakPolarHBondContact CA-O 3.15Å; C419-L429 HydrophobicContact CB-CB 4.25Å; C419-L429 WeakPolarHBondContact CB-O 3.03Å; C419-L429 PolarHBondContact N-O 3.12Å; C419-L429 PolarHBondContact O-N 2.98Å; C419-L429 VanDerWaalsContact O-N 3.1Å; C419-L429 PolarHBondContact SG-O 3.41Å; C419-L429 VanDerWaalsContact SG-O 3.35Å; C419-I431 WeakPolarHBondContact SG-CD1 3.47Å; C419-I431 WeakPolarHBondContact SG-CG1 3.29Å
420	V	53.3	Low	59.3	Low	82 Å²	82	84.7 Å²	84.7	50%	0.497	45%	0.451	S	S	.	.			trans	-107.3	112.3	169.8	-177	0	0	0	0	105.1	K418	K418-V420 HydrophobicContact CG-CG2 4.43Å
421	P	51.3	Low	60.7	Low	38 Å²	38	83.3 Å²	83.3	25%	0.247	44%	0.44	C	S	.	.			trans	-56.6	146.7	178.3	-25	35.4	0	0	0	110.8	D423 L426	P421-D423 PolarHBondContact O-N 2.88Å; P421-L426 HydrophobicContact CB-CB 3.68Å; P421-L426 HydrophobicContact CB-CD1 4.15Å; P421-L426 HydrophobicContact CG-CB 3.51Å
422	K	54.2	Low	61.5	Low	165 Å²	165	80.4 Å²	80.4	72%	0.717	42%	0.423	S	S	*	.	S	Bend	trans	-60.2	-34.9	172.6	-75	178.1	-179.7	138.6	0	111.2	E263 T424	E263-K422 IonicContact OE1-NZ 3.4Å; E263-K422 PolarHBondContact OE1-NZ 2.89Å; E263-K422 WeakPolarHBondContact OE2-CE 3.09Å; E263-K422 IonicContact OE2-NZ 2.74Å; E263-K422 PolarHBondContact OE2-NZ 3.16Å; K422-T424 PolarHBondContact O-N 3.12Å
423	D	54.6	Low	62.6	Low	114 Å²	114	78.9 Å²	78.9	61%	0.61	41%	0.413	S	S	*	.	S	Bend	trans	-81	107.9	170.2	-71.9	-34.7	0	0	0	110.2	P421 F425 L426	P421-D423 PolarHBondContact O-N 2.88Å; D423-F425 PolarHBondContact O-N 3.5Å; D423-L426 HydrophobicContact CB-CD1 4.42Å; D423-L426 PolarHBondContact O-N 2.88Å; D423-L426 VanDerWaalsContact O-N 3.08Å
424	T	53	Low	63.7	Low	128 Å²	128	75.6 Å²	75.6	79%	0.785	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.8	-177.7	40.4	0	0	0	0	115.1	K422	K422-T424 PolarHBondContact O-N 3.12Å
425	F	51.2	Low	64.7	Low	199 Å²	199	74.3 Å²	74.3	87%	0.873	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.6	177	-67.2	-77.6	0	0	0	114.4	D423	D423-F425 PolarHBondContact O-N 3.5Å
426	L	52.7	Low	66.3	Low	113 Å²	113	65 Å²	65	59%	0.592	35%	0.347	S	S	*	.	S	Bend	trans	-93.5	138.4	179	-70.6	167.9	0	0	0	110.9	P421 D423	P421-L426 HydrophobicContact CB-CB 3.68Å; P421-L426 HydrophobicContact CB-CD1 4.15Å; P421-L426 HydrophobicContact CG-CB 3.51Å; D423-L426 HydrophobicContact CB-CD1 4.42Å; D423-L426 PolarHBondContact O-N 2.88Å; D423-L426 VanDerWaalsContact O-N 3.08Å
427	S	57.2	Low	67.9	Low	103 Å²	103	63.2 Å²	63.2	72%	0.72	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-62.8	142.1	177.9	50	0	0	0	0	111.6	L429	S427-L429 PolarHBondContact O-N 3.37Å
428	S	63.4	Low	69.3	Low	60 Å²	60	62 Å²	62	42%	0.42	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.5	119.9	175.6	62	0	0	0	0	111.1	C419	C419-S428 CarbonylContact O-C 3.59Å; C419-S428 WeakPolarHBondContact O-CA 3.21Å; C419-S428 WeakPolarHBondContact O-CB 3.46Å
429	L	66.5	Low	70.5	Confident	24 Å²	24	58.8 Å²	58.8	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.6	174.5	-173	70.1	0	0	0	109.6	L145 D147 N262 C419 S427 I431	L145-L429 WeakPolarHBondContact O-CD2 3.27Å; D147-L429 WeakPolarHBondContact OD1-CD1 3.38Å; N262-L429 WeakPolarHBondContact ND2-CD2 3.4Å; C419-L429 WeakPolarHBondContact CA-O 3.15Å; C419-L429 HydrophobicContact CB-CB 4.25Å; C419-L429 WeakPolarHBondContact CB-O 3.03Å; C419-L429 PolarHBondContact N-O 3.12Å; C419-L429 PolarHBondContact O-N 2.98Å; C419-L429 VanDerWaalsContact O-N 3.1Å; C419-L429 PolarHBondContact SG-O 3.41Å; C419-L429 VanDerWaalsContact SG-O 3.35Å; S427-L429 PolarHBondContact O-N 3.37Å; L429-I431 HydrophobicContact CD2-CG1 4.24Å; L429-I431 HydrophobicContact CG-CG1 4.5Å
430	N	74.3	Confident	71.5	Confident	50 Å²	50	58.7 Å²	58.7	27%	0.267	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.1	167.5	-67.6	-40.7	0	0	0	108.3	G398 P416 Y432	G398-N430 PolarHBondContact N-O 3.35Å; P416-N430 HydrophobicContact CB-CB 4.21Å; N430-Y432 HydrophobicContact CB-CE2 3.74Å
431	I	81.6	Confident	72	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.6	174.7	-69.5	177.5	0	0	0	109.1	N262 I265 V395 T396 P416 L417 C419 L429 V433	N262-I431 HydrophobicContact CB-CD1 3.44Å; N262-I431 VanDerWaalsContact CB-CD1 3.44Å; I265-I431 HydrophobicContact CD1-CG2 3.89Å; V395-I431 HydrophobicContact CG1-CG2 3.33Å; T396-I431 WeakPolarHBondContact O-CA 3.41Å; P416-I431 CarbonylContact C-O 3.37Å; P416-I431 WeakPolarHBondContact CA-O 3.49Å; L417-I431 HydrophobicContact CB-CB 4.38Å; L417-I431 PolarHBondContact N-O 3.37Å; L417-I431 PolarHBondContact O-N 3.39Å; C419-I431 WeakPolarHBondContact SG-CD1 3.47Å; C419-I431 WeakPolarHBondContact SG-CG1 3.29Å; L429-I431 HydrophobicContact CD2-CG1 4.24Å; L429-I431 HydrophobicContact CG-CG1 4.5Å; I431-V433 HydrophobicContact CG2-CG2 4.49Å
432	Y	84.6	Confident	72.2	Confident	35 Å²	35	58 Å²	58	14%	0.137	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.5	175.6	-62.1	-96.3	0	0	0	109.3	V395 T396 G398 K399 P416 N430	V395-Y432 CarbonylContact C-O 3.49Å; V395-Y432 VanDerWaalsContact CA-O 3.27Å; V395-Y432 WeakPolarHBondContact CA-O 3.32Å; T396-Y432 PolarHBondContact N-O 2.89Å; T396-Y432 PolarHBondContact O-N 3.35Å; G398-Y432 WeakPolarHBondContact O-CD2 3.27Å; G398-Y432 WeakPolarHBondContact O-CE2 3.19Å; K399-Y432 HydrophobicContact CG-CE2 4.49Å; K399-Y432 WeakPolarHBondContact CG-OH 3.41Å; P416-Y432 HydrophobicContact CB-CD1 4.01Å; P416-Y432 HydrophobicContact CB-CE1 3.51Å; P416-Y432 HydrophobicContact CB-CE2 4.31Å; P416-Y432 HydrophobicContact CG-CE1 3.78Å; N430-Y432 HydrophobicContact CB-CE2 3.74Å
433	V	90.5	Very high	72	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.6	175.2	-175.8	0	0	0	0	107.7	I265 M353 I355 L374 A393 V395 L414 L417 I431	I265-V433 HydrophobicContact CD1-CG2 3.81Å; M353-V433 HydrophobicContact SD-CG1 4.45Å; M353-V433 HydrophobicContact SD-CG2 4.2Å; I355-V433 HydrophobicContact CD1-CG1 4.19Å; L374-V433 HydrophobicContact CD2-CG1 3.73Å; A393-V433 HydrophobicContact CB-CG1 4.47Å; V395-V433 HydrophobicContact CG1-CG2 4.45Å; V395-V433 HydrophobicContact CG2-CG1 4.41Å; V395-V433 HydrophobicContact CG2-CG2 4.18Å; L414-V433 HydrophobicContact CB-CB 4.36Å; L414-V433 HydrophobicContact CD1-CB 4.17Å; L414-V433 HydrophobicContact CD1-CG1 4.11Å; L414-V433 PolarHBondContact N-O 3.44Å; L417-V433 HydrophobicContact CD1-CG2 4.21Å; I431-V433 HydrophobicContact CG2-CG2 4.49Å
434	N	90.9	Very high	71.6	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.053	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.4	178.9	-62.6	-74.4	0	0	0	109.8	A393 C394 V412 S413 F436	A393-N434 CarbonylContact C-O 3.58Å; A393-N434 VanDerWaalsContact CA-O 3.31Å; A393-N434 WeakPolarHBondContact CA-O 3.25Å; C394-N434 PolarHBondContact N-O 3.14Å; C394-N434 PolarHBondContact O-N 2.73Å; V412-N434 CarbonylContact O-C 3.59Å; V412-N434 WeakPolarHBondContact O-CA 3.46Å; S413-N434 WeakPolarHBondContact CA-OD1 3.44Å; S413-N434 WeakPolarHBondContact CB-OD1 3.34Å; S413-N434 PolarHBondContact OG-OD1 3.29Å; N434-F436 HydrophobicContact CB-CD2 4.44Å; N434-F436 HydrophobicContact CB-CE2 3.6Å; N434-F436 HydrophobicContact CB-CZ 4.09Å
435	V	91.8	Very high	71.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.3	177.2	-175.2	0	0	0	0	110.3	W365 L374 I376 A391 I411 V412	W365-V435 HydrophobicContact CB-CG1 3.82Å; W365-V435 HydrophobicContact CD2-CG1 4.05Å; W365-V435 HydrophobicContact CG-CG1 3.54Å; L374-V435 HydrophobicContact CD1-CG2 3.89Å; L374-V435 HydrophobicContact CD2-CG2 3.99Å; I376-V435 HydrophobicContact CD1-CG1 3.96Å; I376-V435 HydrophobicContact CD1-CG2 4.15Å; A391-V435 HydrophobicContact CB-CG1 4.17Å; I411-V435 PolarHBondContact N-O 2.94Å; I411-V435 VanDerWaalsContact N-O 3.11Å; V412-V435 PolarHBondContact O-N 2.96Å
436	F	92.3	Very high	71	Confident	16 Å²	16	49.3 Å²	49.3	7%	0.07	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.2	-179.3	-63.3	-92.3	0	0	0	109.7	A391 Y392 C394 N407 A410 N434	A391-F436 CarbonylContact C-O 3.49Å; A391-F436 WeakPolarHBondContact CA-O 3.36Å; A391-F436 VanDerWaalsContact CB-O 3.3Å; A391-F436 WeakPolarHBondContact CB-O 3.39Å; Y392-F436 HydrophobicContact CD1-CB 4.21Å; Y392-F436 HydrophobicContact CD2-CB 4.22Å; Y392-F436 HydrophobicContact CD2-CD2 4.24Å; Y392-F436 HydrophobicContact CE1-CB 3.68Å; Y392-F436 HydrophobicContact CE2-CB 3.68Å; Y392-F436 AromaticContact CE2-CD2 3.63Å; Y392-F436 HydrophobicContact CE2-CD2 3.63Å; Y392-F436 AromaticContact CE2-CG 3.83Å; Y392-F436 HydrophobicContact CE2-CG 3.83Å; Y392-F436 HydrophobicContact CG-CB 4.46Å; Y392-F436 AromaticContact CZ-CG 3.82Å; Y392-F436 PolarHBondContact N-O 2.68Å; Y392-F436 PolarHBondContact O-N 3.31Å; C394-F436 HydrophobicContact CB-CD2 4.11Å; C394-F436 HydrophobicContact CB-CE2 3.7Å; N407-F436 HydrophobicContact CB-CE1 4.07Å; A410-F436 HydrophobicContact CB-CD1 4.06Å; A410-F436 HydrophobicContact CB-CE1 3.48Å; A410-F436 VanDerWaalsContact CB-CE1 3.48Å; A410-F436 HydrophobicContact CB-CZ 3.98Å; N434-F436 HydrophobicContact CB-CD2 4.44Å; N434-F436 HydrophobicContact CB-CE2 3.6Å; N434-F436 HydrophobicContact CB-CZ 4.09Å
437	V	90.9	Very high	70.7	Confident	21 Å²	21	47.3 Å²	47.3	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	170.6	167.4	0	0	0	0	109	E389 G390 A391 I411	E389-V437 HydrophobicContact CB-CG1 3.82Å; E389-V437 HydrophobicContact CB-CG2 4.48Å; E389-V437 HydrophobicContact CG-CG1 4.18Å; G390-V437 CarbonylContact O-C 3.19Å; G390-V437 WeakPolarHBondContact O-CA 3.44Å; A391-V437 HydrophobicContact CB-CG2 4.49Å; I411-V437 HydrophobicContact CD1-CB 3.79Å; I411-V437 HydrophobicContact CD1-CG2 3.29Å; I411-V437 HydrophobicContact CG1-CG2 4.28Å
438	L	90.4	Very high	70.3	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-64.8	136.1	176.7	-71.1	168	0	0	0	110.5	R166 V167 S378 F380 G390 Y392	R166-L438 HydrophobicContact CB-CD2 4.31Å; R166-L438 HydrophobicContact CG-CB 4.42Å; R166-L438 HydrophobicContact CG-CD2 3.94Å; V167-L438 HydrophobicContact CG2-CD1 4.04Å; V167-L438 HydrophobicContact CG2-CD2 3.85Å; S378-L438 WeakPolarHBondContact O-CD1 3.34Å; F380-L438 HydrophobicContact CD1-CB 4.3Å; F380-L438 HydrophobicContact CD1-CD1 4.29Å; F380-L438 HydrophobicContact CE1-CD1 4.49Å; G390-L438 WeakPolarHBondContact O-CB 3.48Å; G390-L438 PolarHBondContact O-N 3.21Å; Y392-L438 HydrophobicContact CD1-CD2 3.64Å; Y392-L438 HydrophobicContact CD1-CG 4.01Å; Y392-L438 HydrophobicContact CE1-CD2 3.73Å; Y392-L438 HydrophobicContact CE1-CG 4.37Å
439	I	82	Confident	69.4	Low	65 Å²	65	56 Å²	56	33%	0.333	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-77.5	127.1	177.6	-56.2	170.8	0	0	0	109.6	R166 E170 N409	R166-I439 WeakPolarHBondContact CD-O 3.39Å; E170-I439 VanDerWaalsContact OE1-CB 3.3Å; E170-I439 WeakPolarHBondContact OE1-CB 3.15Å; E170-I439 WeakPolarHBondContact OE1-CG1 3.34Å; E170-I439 PolarHBondContact OE1-N 2.99Å; N409-I439 WeakPolarHBondContact ND2-CD1 3.29Å
440	K	74.4	Confident	68.5	Low	7 Å²	7	58.3 Å²	58.3	3%	0.03	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-85.2	122.8	173	-59.1	179.4	-169.3	-178.7	0	110.3	F380 D381 N388 E389 Q442 D443	F380-K440 HydrophobicContact CD2-CG 4.29Å; F380-K440 HydrophobicContact CG-CG 4.28Å; D381-K440 IonicContact OD1-NZ 2.69Å; D381-K440 PolarHBondContact OD1-NZ 3.06Å; N388-K440 PolarHBondContact O-NZ 2.87Å; E389-K440 IonicContact OE1-NZ 3.24Å; E389-K440 PolarHBondContact OE1-NZ 3.41Å; E389-K440 WeakPolarHBondContact OE2-CE 3.4Å; E389-K440 IonicContact OE2-NZ 2.96Å; E389-K440 PolarHBondContact OE2-NZ 3.3Å; K440-Q442 PolarHBondContact O-N 3.32Å; K440-Q442 VanDerWaalsContact O-N 3.14Å; K440-D443 PolarHBondContact O-N 2.95Å; K440-D443 VanDerWaalsContact O-N 3.17Å
441	V	64.5	Low	67.6	Low	55 Å²	55	58.1 Å²	58.1	33%	0.333	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-57.1	-31.7	177.9	179.4	0	0	0	0	112	D443 Q444	V441-D443 VanDerWaalsContact C-N 3.28Å; V441-D443 PolarHBondContact O-N 3.47Å; V441-Q444 PolarHBondContact O-N 2.9Å
442	Q	54.8	Low	66.4	Low	50 Å²	50	63 Å²	63	23%	0.234	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.4	-26.7	-178	-70.8	-178.1	10	0	0	113.4	K440 Q444 V445 L446	K440-Q442 PolarHBondContact O-N 3.32Å; K440-Q442 VanDerWaalsContact O-N 3.14Å; Q442-Q444 PolarHBondContact O-N 3.44Å; Q442-V445 PolarHBondContact O-N 2.97Å; Q442-L446 HydrophobicContact CB-CD1 3.73Å; Q442-L446 HydrophobicContact CB-CG 3.96Å; Q442-L446 WeakPolarHBondContact O-CB 3.04Å; Q442-L446 VanDerWaalsContact O-CD1 3.28Å; Q442-L446 WeakPolarHBondContact O-CD1 3.3Å; Q442-L446 WeakPolarHBondContact O-CG 3.17Å; Q442-L446 PolarHBondContact O-N 3.37Å; Q442-L446 VanDerWaalsContact O-N 3.09Å
443	D	51.2	Low	65.3	Low	104 Å²	104	62.2 Å²	62.2	56%	0.556	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.3	-18.4	177	-78.8	-21.1	0	0	0	113	K440 V441	K440-D443 PolarHBondContact O-N 2.95Å; K440-D443 VanDerWaalsContact O-N 3.17Å; V441-D443 VanDerWaalsContact C-N 3.28Å; V441-D443 PolarHBondContact O-N 3.47Å
444	Q	45	Very low	64.2	Low	156 Å²	156	64.7 Å²	64.7	73%	0.729	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-85.6	-17.5	177.4	-61.7	-170.7	0.8	0	0	114.6	V441 Q442	V441-Q444 PolarHBondContact O-N 2.9Å; Q442-Q444 PolarHBondContact O-N 3.44Å
445	V	43.4	Very low	63.1	Low	105 Å²	105	64.7 Å²	64.7	64%	0.636	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-9.1	-170.9	-171.6	0	0	0	0	113.4	Q442 D447	Q442-V445 PolarHBondContact O-N 2.97Å; V445-D447 PolarHBondContact O-N 3.4Å
446	L	48.1	Very low	62.2	Low	58 Å²	58	65.4 Å²	65.4	30%	0.304	33%	0.334	S	S	.	.			trans	-63.7	129.4	-166.3	-86.2	162	0	0	0	115.6	Q442 K448	Q442-L446 HydrophobicContact CB-CD1 3.73Å; Q442-L446 HydrophobicContact CB-CG 3.96Å; Q442-L446 WeakPolarHBondContact O-CB 3.04Å; Q442-L446 VanDerWaalsContact O-CD1 3.28Å; Q442-L446 WeakPolarHBondContact O-CD1 3.3Å; Q442-L446 WeakPolarHBondContact O-CG 3.17Å; Q442-L446 PolarHBondContact O-N 3.37Å; Q442-L446 VanDerWaalsContact O-N 3.09Å; L446-K448 PolarHBondContact O-N 2.9Å
447	D	46.2	Very low	61.3	Low	72 Å²	72	65.7 Å²	65.7	39%	0.385	34%	0.336	S	S	.	.			trans	-42.3	117.2	169.6	-167.3	-6.7	0	0	0	111.5	V445 N449 R450	V445-D447 PolarHBondContact O-N 3.4Å; D447-N449 PolarHBondContact O-N 2.88Å; D447-N449 WeakPolarHBondContact OD1-CB 3.11Å; D447-N449 PolarHBondContact OD1-N 3.49Å; D447-N449 PolarHBondContact OD1-ND2 3.26Å; D447-R450 PolarHBondContact O-N 3.13Å; D447-R450 VanDerWaalsContact O-N 3.16Å
448	K	49.6	Very low	60.4	Low	213 Å²	213	67.1 Å²	67.1	93%	0.926	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-11.1	179.2	-71.1	-176.9	179	178	0	113.5	L446	L446-K448 PolarHBondContact O-N 2.9Å
449	N	44.2	Very low	59.9	Low	133 Å²	133	67 Å²	67	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.1	-178.4	-62.8	-37.5	0	0	0	115.1	D447	D447-N449 PolarHBondContact O-N 2.88Å; D447-N449 WeakPolarHBondContact OD1-CB 3.11Å; D447-N449 PolarHBondContact OD1-N 3.49Å; D447-N449 PolarHBondContact OD1-ND2 3.26Å
450	R	48.9	Very low	59.9	Low	72 Å²	72	64 Å²	64	27%	0.272	33%	0.326	S	S	.	.			trans	-86.9	129	-179	-77.5	-169.4	-178.4	-176.7	0.4	112.2	D70 D447 D454	D70-R450 IonicContact OD2-NH2 3.39Å; D70-R450 PolarHBondContact OD2-NH2 2.97Å; D447-R450 PolarHBondContact O-N 3.13Å; D447-R450 VanDerWaalsContact O-N 3.16Å; R450-D454 WeakPolarHBondContact CA-OD2 3.35Å; R450-D454 VanDerWaalsContact CB-OD2 3.25Å; R450-D454 WeakPolarHBondContact CB-OD2 3.36Å
451	T	55	Low	60	Low	45 Å²	45	64.3 Å²	64.3	28%	0.276	33%	0.328	S	S	.	.			trans	-92.8	156.5	-172.5	75.6	0	0	0	0	112.1	R386 N453 D454	R386-T451 PolarHBondContact NH1-O 3.27Å; T451-N453 PolarHBondContact O-N 3.04Å; T451-N453 PolarHBondContact OG1-N 3.02Å; T451-D454 PolarHBondContact N-OD1 3.31Å; T451-D454 PolarHBondContact N-OD2 3.4Å; T451-D454 PolarHBondContact O-N 3.43Å; T451-D454 PolarHBondContact OG1-OD1 3.5Å
452	L	56.4	Low	60.6	Low	104 Å²	104	63.1 Å²	63.1	55%	0.545	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-12.9	172.9	-165.8	73.6	0	0	0	112.8
453	N	61.9	Low	62.1	Low	18 Å²	18	60.7 Å²	60.7	10%	0.096	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.7	-177.6	-66.5	-29.7	0	0	0	113.7	T451 P455 V456 N457 I542	T451-N453 PolarHBondContact O-N 3.04Å; T451-N453 PolarHBondContact OG1-N 3.02Å; N453-P455 VanDerWaalsContact C-N 3.34Å; N453-V456 WeakPolarHBondContact O-CB 3.34Å; N453-V456 PolarHBondContact O-N 3.02Å; N453-V456 VanDerWaalsContact O-N 3.14Å; N453-N457 PolarHBondContact O-N 3.31Å; N453-I542 VanDerWaalsContact ND2-CG2 3.33Å; N453-I542 WeakPolarHBondContact ND2-CG2 3.49Å
454	D	65.5	Low	63.7	Low	52 Å²	52	58.5 Å²	58.5	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-54	-44.1	179.1	-59.4	-4.2	0	0	0	112.1	R450 T451 V456 N457 M458	R450-D454 WeakPolarHBondContact CA-OD2 3.35Å; R450-D454 VanDerWaalsContact CB-OD2 3.25Å; R450-D454 WeakPolarHBondContact CB-OD2 3.36Å; T451-D454 PolarHBondContact N-OD1 3.31Å; T451-D454 PolarHBondContact N-OD2 3.4Å; T451-D454 PolarHBondContact O-N 3.43Å; T451-D454 PolarHBondContact OG1-OD1 3.5Å; D454-V456 VanDerWaalsContact C-N 3.33Å; D454-V456 PolarHBondContact O-N 3.06Å; D454-N457 PolarHBondContact O-N 3.07Å; D454-M458 VanDerWaalsContact O-CG 3.29Å; D454-M458 WeakPolarHBondContact O-CG 3.41Å; D454-M458 PolarHBondContact O-N 2.86Å
455	P	67.9	Low	65.4	Low	11 Å²	11	52.7 Å²	52.7	7%	0.071	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-38.1	179.3	-15.2	28.2	0	0	0	112.4	T384 L385 R386 N453 M458 A459	T384-P455 HydrophobicContact CG2-CB 4.14Å; L385-P455 VanDerWaalsContact O-CG 3.28Å; L385-P455 WeakPolarHBondContact O-CG 3.37Å; R386-P455 HydrophobicContact CB-CG 3.67Å; R386-P455 WeakPolarHBondContact O-CG 3.36Å; N453-P455 VanDerWaalsContact C-N 3.34Å; P455-M458 PolarHBondContact O-N 3.09Å; P455-A459 PolarHBondContact O-N 3.05Å
456	V	74.1	Confident	67.2	Low	15 Å²	15	48.6 Å²	48.6	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-46.8	176.9	177.6	0	0	0	0	109.6	R38 R39 A42 N453 D454 A459 F460	R38-V456 HydrophobicContact CG-CG1 3.7Å; R39-V456 HydrophobicContact CB-CG2 4.49Å; R39-V456 HydrophobicContact CG-CG2 3.68Å; A42-V456 HydrophobicContact CB-CB 4.2Å; A42-V456 HydrophobicContact CB-CG1 3.75Å; A42-V456 HydrophobicContact CB-CG2 4.47Å; N453-V456 WeakPolarHBondContact O-CB 3.34Å; N453-V456 PolarHBondContact O-N 3.02Å; N453-V456 VanDerWaalsContact O-N 3.14Å; D454-V456 VanDerWaalsContact C-N 3.33Å; D454-V456 PolarHBondContact O-N 3.06Å; V456-A459 PolarHBondContact O-N 3.22Å; V456-F460 HydrophobicContact CG1-CD2 4.27Å; V456-F460 HydrophobicContact CG1-CE2 4.02Å; V456-F460 WeakPolarHBondContact O-CD2 3.36Å; V456-F460 PolarHBondContact O-N 3.37Å
457	N	73.2	Confident	69.1	Low	21 Å²	21	45.9 Å²	45.9	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-41.7	178.2	-69.7	-24.4	0	0	0	111.2	R38 N453 D454 A459 F460 V461 M538	R38-N457 PolarHBondContact NH2-OD1 3.34Å; N453-N457 PolarHBondContact O-N 3.31Å; D454-N457 PolarHBondContact O-N 3.07Å; N457-A459 VanDerWaalsContact C-N 3.32Å; N457-A459 PolarHBondContact O-N 2.94Å; N457-F460 PolarHBondContact O-N 3.14Å; N457-F460 VanDerWaalsContact O-N 3.12Å; N457-V461 WeakPolarHBondContact O-CG2 3.45Å; N457-V461 PolarHBondContact O-N 3.05Å; N457-M538 HydrophobicContact CB-SD 4.43Å
458	M	71.6	Confident	71	Confident	52 Å²	52	45.2 Å²	45.2	26%	0.256	22%	0.223	S	C	.	.	H	α-helix	trans	-58.2	-42.6	176.3	-72.6	-54.4	-63.3	0	0	112.2	L61 T384 D454 P455 F460 V461 C462	L61-M458 HydrophobicContact CD2-CE 3.66Å; T384-M458 HydrophobicContact CG2-CB 4.44Å; D454-M458 VanDerWaalsContact O-CG 3.29Å; D454-M458 WeakPolarHBondContact O-CG 3.41Å; D454-M458 PolarHBondContact O-N 2.86Å; P455-M458 PolarHBondContact O-N 3.09Å; M458-F460 VanDerWaalsContact C-N 3.32Å; M458-F460 PolarHBondContact O-N 3.12Å; M458-V461 WeakPolarHBondContact O-CB 3.4Å; M458-V461 PolarHBondContact O-N 2.87Å; M458-V461 VanDerWaalsContact O-N 3.12Å; M458-C462 PolarHBondContact O-N 3.5Å; M458-C462 PolarHBondContact O-SG 2.88Å
459	A	80.1	Confident	72.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-45.9	174.9	0	0	0	0	0	111.9	A42 V45 N46 P455 V456 N457 V461 C462 L463	A42-A459 HydrophobicContact CB-CB 3.67Å; V45-A459 HydrophobicContact CB-CB 4.48Å; V45-A459 HydrophobicContact CG1-CB 4.2Å; V45-A459 VanDerWaalsContact CG1-O 3.27Å; V45-A459 WeakPolarHBondContact CG1-O 3.44Å; N46-A459 WeakPolarHBondContact OD1-CB 3.07Å; P455-A459 PolarHBondContact O-N 3.05Å; V456-A459 PolarHBondContact O-N 3.22Å; N457-A459 VanDerWaalsContact C-N 3.32Å; N457-A459 PolarHBondContact O-N 2.94Å; A459-V461 PolarHBondContact O-N 2.89Å; A459-C462 PolarHBondContact O-N 3.23Å; A459-L463 PolarHBondContact O-N 2.88Å
460	F	81.3	Confident	74.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-35	176.8	-75.2	-75.8	0	0	0	112.6	R38 C41 A42 V456 N457 M458 L463 W464 L511 F514 L515 V537	R38-F460 HydrophobicContact CG-CD2 4.44Å; R38-F460 HydrophobicContact CG-CE2 3.51Å; R38-F460 HydrophobicContact CG-CZ 4Å; C41-F460 HydrophobicContact CB-CZ 3.89Å; A42-F460 HydrophobicContact CB-CD2 4.4Å; A42-F460 HydrophobicContact CB-CE2 3.92Å; V456-F460 HydrophobicContact CG1-CD2 4.27Å; V456-F460 HydrophobicContact CG1-CE2 4.02Å; V456-F460 WeakPolarHBondContact O-CD2 3.36Å; V456-F460 PolarHBondContact O-N 3.37Å; N457-F460 PolarHBondContact O-N 3.14Å; N457-F460 VanDerWaalsContact O-N 3.12Å; M458-F460 VanDerWaalsContact C-N 3.32Å; M458-F460 PolarHBondContact O-N 3.12Å; F460-L463 PolarHBondContact O-N 3.34Å; F460-W464 VanDerWaalsContact O-CB 3.32Å; F460-W464 WeakPolarHBondContact O-CB 3.28Å; F460-W464 PolarHBondContact O-N 3.05Å; F460-L511 HydrophobicContact CE1-CD2 3.71Å; F460-L511 HydrophobicContact CZ-CD2 4.19Å; F460-F514 HydrophobicContact CD1-CB 3.9Å; F460-F514 HydrophobicContact CE1-CB 3.47Å; F460-F514 VanDerWaalsContact CE1-CB 3.47Å; F460-F514 AromaticContact CE1-CD2 3.59Å; F460-F514 HydrophobicContact CE1-CD2 3.59Å; F460-F514 AromaticContact CE1-CG 3.75Å; F460-F514 HydrophobicContact CE1-CG 3.75Å; F460-F514 HydrophobicContact CZ-CB 4.01Å; F460-F514 AromaticContact CZ-CD2 3.47Å; F460-F514 HydrophobicContact CZ-CD2 3.47Å; F460-F514 VanDerWaalsContact CZ-CD2 3.47Å; F460-F514 HydrophobicContact CZ-CE2 4.05Å; F460-F514 AromaticContact CZ-CG 3.78Å; F460-F514 HydrophobicContact CZ-CG 3.78Å; F460-L515 HydrophobicContact CD1-CD2 4.5Å; F460-V537 VanDerWaalsContact C-CG1 3.49Å; F460-V537 HydrophobicContact CB-CG1 4.05Å; F460-V537 WeakPolarHBondContact O-CG1 3.25Å
461	V	76.2	Confident	77	Confident	14 Å²	14	36.5 Å²	36.5	9%	0.085	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-48.5	174.2	172.2	0	0	0	0	110.5	N457 M458 A459 L463 W464 Q465 V537 M538	N457-V461 WeakPolarHBondContact O-CG2 3.45Å; N457-V461 PolarHBondContact O-N 3.05Å; M458-V461 WeakPolarHBondContact O-CB 3.4Å; M458-V461 PolarHBondContact O-N 2.87Å; M458-V461 VanDerWaalsContact O-N 3.12Å; A459-V461 PolarHBondContact O-N 2.89Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 2.97Å; V461-W464 PolarHBondContact O-N 3.35Å; V461-W464 VanDerWaalsContact O-N 3.16Å; V461-Q465 WeakPolarHBondContact O-CG 3.18Å; V461-Q465 PolarHBondContact O-N 3.36Å; V461-V537 VanDerWaalsContact CA-CG1 3.5Å; V461-V537 HydrophobicContact CB-CG1 4.15Å; V461-V537 HydrophobicContact CG2-CG1 3.57Å; V461-M538 HydrophobicContact CG2-SD 3.93Å
462	C	78.2	Confident	78.7	Confident	30 Å²	30	42.5 Å²	42.5	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-43.2	177	-63.8	0	0	0	0	111.6	L49 M458 A459 W464 Q465 R466	L49-C462 HydrophobicContact CD1-CB 3.67Å; M458-C462 PolarHBondContact O-N 3.5Å; M458-C462 PolarHBondContact O-SG 2.88Å; A459-C462 PolarHBondContact O-N 3.23Å; C462-W464 VanDerWaalsContact C-N 3.33Å; C462-W464 PolarHBondContact O-N 3.39Å; C462-Q465 PolarHBondContact O-N 3.23Å; C462-R466 PolarHBondContact O-N 3.46Å
463	L	85.6	Confident	80.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-44.5	174.2	179.8	61.7	0	0	0	111.8	V45 A459 F460 V461 R466 I467 L504 L506 W508 L511 L515	V45-L463 HydrophobicContact CG1-CB 3.71Å; V45-L463 HydrophobicContact CG1-CD2 4.36Å; V45-L463 HydrophobicContact CG1-CG 4.44Å; V45-L463 HydrophobicContact CG2-CD2 3.74Å; A459-L463 PolarHBondContact O-N 2.88Å; F460-L463 PolarHBondContact O-N 3.34Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 2.97Å; L463-R466 WeakPolarHBondContact O-CB 3.47Å; L463-R466 PolarHBondContact O-N 3.24Å; L463-I467 HydrophobicContact CD1-CD1 4.42Å; L463-I467 HydrophobicContact CG-CD1 3.98Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.38Å; L463-L504 HydrophobicContact CD1-CD1 3.57Å; L463-L506 HydrophobicContact CD1-CD1 3.76Å; L463-L506 HydrophobicContact CD2-CD1 4.37Å; L463-W508 HydrophobicContact CD1-CH2 4.08Å; L463-W508 HydrophobicContact CD1-CZ3 4.41Å; L463-W508 HydrophobicContact CD2-CZ3 4.47Å; L463-L511 HydrophobicContact CD2-CD1 4.08Å; L463-L515 HydrophobicContact CD2-CD1 3.82Å; L463-L515 HydrophobicContact CD2-CD2 4.14Å
464	W	84.9	Confident	82.2	Confident	58 Å²	58	41.5 Å²	41.5	22%	0.22	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-39.9	-178.8	-178	76.7	0	0	0	112.6	F460 V461 C462 R466 I467 I468 M531 V537	F460-W464 VanDerWaalsContact O-CB 3.32Å; F460-W464 WeakPolarHBondContact O-CB 3.28Å; F460-W464 PolarHBondContact O-N 3.05Å; V461-W464 PolarHBondContact O-N 3.35Å; V461-W464 VanDerWaalsContact O-N 3.16Å; C462-W464 VanDerWaalsContact C-N 3.33Å; C462-W464 PolarHBondContact O-N 3.39Å; W464-R466 PolarHBondContact O-N 3.29Å; W464-I467 WeakPolarHBondContact O-CB 3.43Å; W464-I467 PolarHBondContact O-N 2.82Å; W464-I467 VanDerWaalsContact O-N 3.1Å; W464-I468 HydrophobicContact CD2-CG1 3.86Å; W464-I468 HydrophobicContact CE3-CG1 4.23Å; W464-I468 HydrophobicContact CG-CG1 4.43Å; W464-I468 HydrophobicContact CH2-CD1 4.24Å; W464-I468 HydrophobicContact CH2-CG1 4.06Å; W464-I468 HydrophobicContact CZ2-CD1 3.59Å; W464-I468 HydrophobicContact CZ2-CG1 3.66Å; W464-I468 HydrophobicContact CZ3-CG1 4.33Å; W464-I468 WeakPolarHBondContact O-CG1 3.49Å; W464-I468 PolarHBondContact O-N 2.86Å; W464-M531 PolarHBondContact NE1-O 2.99Å; W464-V537 HydrophobicContact CB-CB 4.42Å; W464-V537 HydrophobicContact CB-CG1 4.1Å; W464-V537 HydrophobicContact CB-CG2 3.41Å; W464-V537 VanDerWaalsContact CB-CG2 3.41Å; W464-V537 VanDerWaalsContact CD1-CG2 3.41Å; W464-V537 HydrophobicContact CD2-CG2 3.8Å; W464-V537 HydrophobicContact CG-CG2 3.23Å
465	Q	80	Confident	83.6	Confident	34 Å²	34	41.4 Å²	41.4	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-54.9	-42.9	171.9	-73.9	178.6	-36.6	0	0	111	G60 I64 V461 C462 I468 R469	G60-Q465 PolarHBondContact O-NE2 2.98Å; G60-Q465 VanDerWaalsContact O-NE2 3.15Å; I64-Q465 HydrophobicContact CD1-CG 4.18Å; V461-Q465 WeakPolarHBondContact O-CG 3.18Å; V461-Q465 PolarHBondContact O-N 3.36Å; C462-Q465 PolarHBondContact O-N 3.23Å; Q465-I468 PolarHBondContact O-N 3Å; Q465-R469 WeakPolarHBondContact O-CG 3.5Å; Q465-R469 PolarHBondContact O-N 3.22Å
466	R	83.2	Confident	84.9	Confident	19 Å²	19	46.2 Å²	46.2	7%	0.072	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-42.8	175.8	-177.4	64.3	108	141.7	-5.1	112.5	D54 C462 L463 W464 I468 R469 H470 L504	D54-R466 IonicContact OD1-CZ 2.72Å; D54-R466 IonicContact OD1-NH1 3.34Å; D54-R466 PolarHBondContact OD1-NH1 2.88Å; D54-R466 IonicContact OD1-NH2 3.46Å; D54-R466 PolarHBondContact OD1-NH2 2.87Å; D54-R466 IonicContact OD2-CZ 3.3Å; D54-R466 IonicContact OD2-NE 2.73Å; D54-R466 PolarHBondContact OD2-NE 3.14Å; D54-R466 IonicContact OD2-NH1 2.81Å; D54-R466 PolarHBondContact OD2-NH1 3.08Å; D54-R466 IonicContact OD2-NH2 3.06Å; D54-R466 PolarHBondContact OD2-NH2 3.13Å; C462-R466 PolarHBondContact O-N 3.46Å; L463-R466 WeakPolarHBondContact O-CB 3.47Å; L463-R466 PolarHBondContact O-N 3.24Å; W464-R466 PolarHBondContact O-N 3.29Å; R466-I468 VanDerWaalsContact C-N 3.3Å; R466-I468 PolarHBondContact O-N 3.07Å; R466-R469 PolarHBondContact O-N 3.17Å; R466-H470 PolarHBondContact O-CD2 3.28Å; R466-H470 VanDerWaalsContact O-CD2 3.28Å; R466-H470 PolarHBondContact O-N 3.2Å; R466-L504 HydrophobicContact CG-CD1 4.39Å
467	I	87.5	Confident	86	Confident	1 Å²	1	47 Å²	47	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-42.4	175.5	-67.2	169.2	0	0	0	110.6	L463 W464 H470 K471 L474 M498 W508 L515 M531 F532	L463-I467 HydrophobicContact CD1-CD1 4.42Å; L463-I467 HydrophobicContact CG-CD1 3.98Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.38Å; W464-I467 WeakPolarHBondContact O-CB 3.43Å; W464-I467 PolarHBondContact O-N 2.82Å; W464-I467 VanDerWaalsContact O-N 3.1Å; I467-H470 CarbonylContact O-C 3.57Å; I467-H470 PolarHBondContact O-N 2.75Å; I467-H470 VanDerWaalsContact O-N 3.14Å; I467-K471 PolarHBondContact O-N 2.84Å; I467-L474 HydrophobicContact CG2-CD1 3.84Å; I467-M498 HydrophobicContact CD1-CE 3.63Å; I467-M498 HydrophobicContact CG1-CE 3.72Å; I467-M498 HydrophobicContact CG2-CE 4.27Å; I467-W508 HydrophobicContact CD1-CZ3 4.39Å; I467-L515 HydrophobicContact CD1-CD1 4.02Å; I467-L515 HydrophobicContact CD1-CD2 4.07Å; I467-M531 HydrophobicContact CG2-CG 4.47Å; I467-M531 HydrophobicContact CG2-SD 4.13Å; I467-F532 HydrophobicContact CG2-CD1 4.4Å; I467-F532 HydrophobicContact CG2-CE1 3.93Å
468	I	86.3	Confident	87.2	Confident	58 Å²	58	46 Å²	46	30%	0.297	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-38.4	179	-69.4	-74.6	0	0	0	111.9	W464 Q465 R466 H470 K471 F532	W464-I468 HydrophobicContact CD2-CG1 3.86Å; W464-I468 HydrophobicContact CE3-CG1 4.23Å; W464-I468 HydrophobicContact CG-CG1 4.43Å; W464-I468 HydrophobicContact CH2-CD1 4.24Å; W464-I468 HydrophobicContact CH2-CG1 4.06Å; W464-I468 HydrophobicContact CZ2-CD1 3.59Å; W464-I468 HydrophobicContact CZ2-CG1 3.66Å; W464-I468 HydrophobicContact CZ3-CG1 4.33Å; W464-I468 WeakPolarHBondContact O-CG1 3.49Å; W464-I468 PolarHBondContact O-N 2.86Å; Q465-I468 PolarHBondContact O-N 3Å; R466-I468 VanDerWaalsContact C-N 3.3Å; R466-I468 PolarHBondContact O-N 3.07Å; I468-H470 PolarHBondContact O-N 3.05Å; I468-K471 WeakPolarHBondContact O-CB 3.19Å; I468-K471 PolarHBondContact O-N 2.96Å; I468-F532 HydrophobicContact CD1-CB 4.25Å; I468-F532 HydrophobicContact CD1-CD1 3.91Å
469	R	85.1	Confident	88.2	Confident	101 Å²	101	46.4 Å²	46.4	38%	0.381	22%	0.222	S	C	.	.	H	α-helix	trans	-58.1	-30.6	173.9	-71.4	-178.3	-169.6	164.7	5	112.5	D54 D57 Q465 R466	D54-R469 IonicContact OD2-CZ 3.76Å; D54-R469 IonicContact OD2-NH1 3.19Å; D54-R469 PolarHBondContact OD2-NH1 3.31Å; D57-R469 IonicContact OD1-CZ 3.68Å; D57-R469 IonicContact OD1-NH1 3.84Å; D57-R469 PolarHBondContact OD1-NH1 3.2Å; D57-R469 IonicContact OD1-NH2 3.58Å; D57-R469 PolarHBondContact OD1-NH2 2.84Å; Q465-R469 WeakPolarHBondContact O-CG 3.5Å; Q465-R469 PolarHBondContact O-N 3.22Å; R466-R469 PolarHBondContact O-N 3.17Å
470	H	90	Very high	88.9	Confident	46 Å²	46	52.6 Å²	52.6	21%	0.213	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	10.3	178.9	-67.9	-67.9	0	0	0	113.8	R466 I467 I468 E472 K473 L474 V501	R466-H470 PolarHBondContact O-CD2 3.28Å; R466-H470 VanDerWaalsContact O-CD2 3.28Å; R466-H470 PolarHBondContact O-N 3.2Å; I467-H470 CarbonylContact O-C 3.57Å; I467-H470 PolarHBondContact O-N 2.75Å; I467-H470 VanDerWaalsContact O-N 3.14Å; I468-H470 PolarHBondContact O-N 3.05Å; H470-E472 VanDerWaalsContact C-N 3.33Å; H470-E472 PolarHBondContact O-N 3.38Å; H470-K473 PolarHBondContact O-N 3.1Å; H470-L474 HydrophobicContact CB-CD1 4.15Å; H470-L474 HydrophobicContact CB-CG 4.25Å; H470-L474 WeakPolarHBondContact O-CB 3.42Å; H470-L474 VanDerWaalsContact O-CG 3.3Å; H470-L474 WeakPolarHBondContact O-CG 3.34Å; H470-L474 PolarHBondContact O-N 2.77Å; H470-V501 HydrophobicContact CB-CG1 3.92Å
471	K	92.3	Very high	89.5	Confident	87 Å²	87	56.3 Å²	56.3	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-53.8	-44.8	-172	177.4	178.2	178.9	-174.6	0	113.4	I467 I468 L474 L475 F532	I467-K471 PolarHBondContact O-N 2.84Å; I468-K471 WeakPolarHBondContact O-CB 3.19Å; I468-K471 PolarHBondContact O-N 2.96Å; K471-L474 PolarHBondContact O-N 3.24Å; K471-L475 HydrophobicContact CG-CD1 3.87Å; K471-L475 HydrophobicContact CG-CG 4.37Å; K471-L475 WeakPolarHBondContact O-CB 3.12Å; K471-L475 WeakPolarHBondContact O-CG 3.09Å; K471-L475 PolarHBondContact O-N 3Å; K471-F532 HydrophobicContact CB-CD1 4.25Å; K471-F532 HydrophobicContact CB-CE1 3.95Å; K471-F532 HydrophobicContact CD-CD1 4.08Å; K471-F532 HydrophobicContact CD-CE1 4.49Å; K471-F532 HydrophobicContact CD-CG 4.25Å; K471-F532 HydrophobicContact CG-CD1 3.86Å; K471-F532 HydrophobicContact CG-CE1 3.76Å; K471-F532 HydrophobicContact CG-CG 4.26Å; K471-F532 HydrophobicContact CG-CZ 4.1Å
472	E	92.1	Very high	90.4	Very high	172 Å²	172	56 Å²	56	80%	0.804	27%	0.269	S	S	*	.	H	α-helix	trans	-61.9	-52.2	-177.6	-65.7	-176.4	171.4	0	0	111.3	H470 L474 L475 E476	H470-E472 VanDerWaalsContact C-N 3.33Å; H470-E472 PolarHBondContact O-N 3.38Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 3.12Å; E472-L475 PolarHBondContact O-N 3.09Å; E472-E476 PolarHBondContact O-N 2.88Å
473	K	95.1	Very high	90.9	Very high	101 Å²	101	61.6 Å²	61.6	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-37.9	177.9	-171.5	173.3	177.7	-170.7	0	112.5	H470 E476 C477 V501	H470-K473 PolarHBondContact O-N 3.1Å; K473-E476 PolarHBondContact O-N 3.42Å; K473-C477 PolarHBondContact O-N 3.35Å; K473-C477 VanDerWaalsContact O-N 3.09Å; K473-C477 PolarHBondContact O-SG 3.47Å; K473-C477 VanDerWaalsContact O-SG 3.39Å; K473-V501 HydrophobicContact CB-CG1 4.14Å; K473-V501 HydrophobicContact CD-CG1 4Å; K473-V501 HydrophobicContact CG-CG1 3.96Å; K473-V501 HydrophobicContact CG-CG2 4.3Å
474	L	96.3	Very high	91.2	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-48.4	174.8	-75.6	170.8	0	0	0	111.4	I467 H470 K471 E472 E476 C477 F478 V497 M498 V501 F532	I467-L474 HydrophobicContact CG2-CD1 3.84Å; H470-L474 HydrophobicContact CB-CD1 4.15Å; H470-L474 HydrophobicContact CB-CG 4.25Å; H470-L474 WeakPolarHBondContact O-CB 3.42Å; H470-L474 VanDerWaalsContact O-CG 3.3Å; H470-L474 WeakPolarHBondContact O-CG 3.34Å; H470-L474 PolarHBondContact O-N 2.77Å; K471-L474 PolarHBondContact O-N 3.24Å; E472-L474 VanDerWaalsContact C-N 3.34Å; E472-L474 PolarHBondContact O-N 3.12Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 3.32Å; L474-C477 PolarHBondContact O-N 3.06Å; L474-F478 HydrophobicContact CB-CD2 4.33Å; L474-F478 HydrophobicContact CB-CE2 3.84Å; L474-F478 HydrophobicContact CB-CZ 4.47Å; L474-F478 HydrophobicContact CD2-CE2 4.3Å; L474-F478 HydrophobicContact CD2-CZ 4.1Å; L474-F478 WeakPolarHBondContact O-CD2 3.48Å; L474-F478 WeakPolarHBondContact O-CG 2.99Å; L474-F478 PolarHBondContact O-N 2.9Å; L474-V497 HydrophobicContact CD2-CG1 3.95Å; L474-M498 HydrophobicContact CD1-SD 4.28Å; L474-M498 HydrophobicContact CD2-SD 3.78Å; L474-V501 HydrophobicContact CD2-CB 3.65Å; L474-V501 HydrophobicContact CD2-CG1 3.65Å; L474-V501 HydrophobicContact CD2-CG2 4.06Å; L474-V501 HydrophobicContact CG-CB 4.32Å; L474-V501 HydrophobicContact CG-CG1 3.75Å; L474-F532 HydrophobicContact CB-CZ 4.11Å; L474-F532 HydrophobicContact CD1-CE1 4.08Å; L474-F532 HydrophobicContact CD1-CZ 4.16Å
475	L	95.5	Very high	91.4	Very high	50 Å²	50	73.1 Å²	73.1	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-38.3	178.7	-74.3	173.6	0	0	0	112	K471 E472 F478 S479 Y528 F532	K471-L475 HydrophobicContact CG-CD1 3.87Å; K471-L475 HydrophobicContact CG-CG 4.37Å; K471-L475 WeakPolarHBondContact O-CB 3.12Å; K471-L475 WeakPolarHBondContact O-CG 3.09Å; K471-L475 PolarHBondContact O-N 3Å; E472-L475 PolarHBondContact O-N 3.09Å; L475-F478 PolarHBondContact O-N 3.06Å; L475-S479 VanDerWaalsContact O-CB 3.3Å; L475-S479 WeakPolarHBondContact O-CB 3.34Å; L475-S479 PolarHBondContact O-N 3.12Å; L475-S479 PolarHBondContact O-OG 2.57Å; L475-Y528 HydrophobicContact CD2-CD2 4.19Å; L475-Y528 HydrophobicContact CD2-CE2 4.01Å; L475-F532 HydrophobicContact CD2-CD2 4.37Å; L475-F532 HydrophobicContact CD2-CE2 3.7Å; L475-F532 HydrophobicContact CD2-CZ 4.46Å; L475-F532 HydrophobicContact CG-CE2 4.03Å; L475-F532 HydrophobicContact CG-CZ 4.37Å
476	E	95.2	Very high	92	Very high	112 Å²	112	74.8 Å²	74.8	52%	0.523	37%	0.371	S	S	.	.	H	α-helix	trans	-56.9	-54.1	172.9	-173.7	-173.7	173.8	0	0	110.9	E472 K473 L474 F478 S479 Q480	E472-E476 PolarHBondContact O-N 2.88Å; K473-E476 PolarHBondContact O-N 3.42Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 3.32Å; E476-F478 PolarHBondContact O-N 3.16Å; E476-S479 PolarHBondContact O-N 2.82Å; E476-S479 PolarHBondContact O-OG 2.73Å; E476-Q480 WeakPolarHBondContact O-CG 3.48Å; E476-Q480 PolarHBondContact O-N 3.3Å
477	C	96.9	Very high	92.5	Very high	30 Å²	30	74.5 Å²	74.5	20%	0.203	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-42.5	178.2	-67.4	0	0	0	0	112.8	K473 L474 Q480 L481 V497	K473-C477 PolarHBondContact O-N 3.35Å; K473-C477 VanDerWaalsContact O-N 3.09Å; K473-C477 PolarHBondContact O-SG 3.47Å; K473-C477 VanDerWaalsContact O-SG 3.39Å; L474-C477 PolarHBondContact O-N 3.06Å; C477-Q480 PolarHBondContact O-N 3.06Å; C477-L481 PolarHBondContact O-N 3.38Å; C477-V497 HydrophobicContact CB-CG1 3.6Å; C477-V497 HydrophobicContact CB-CG2 4.11Å
478	F	96.9	Very high	92.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-65	-40	178	-63	-38.3	0	0	0	112.1	L474 L475 E476 Q480 L481 D482 I489 W494 V497 M498 Y528 M531 F532	L474-F478 HydrophobicContact CB-CD2 4.33Å; L474-F478 HydrophobicContact CB-CE2 3.84Å; L474-F478 HydrophobicContact CB-CZ 4.47Å; L474-F478 HydrophobicContact CD2-CE2 4.3Å; L474-F478 HydrophobicContact CD2-CZ 4.1Å; L474-F478 WeakPolarHBondContact O-CD2 3.48Å; L474-F478 WeakPolarHBondContact O-CG 2.99Å; L474-F478 PolarHBondContact O-N 2.9Å; L475-F478 PolarHBondContact O-N 3.06Å; E476-F478 PolarHBondContact O-N 3.16Å; F478-Q480 VanDerWaalsContact C-N 3.28Å; F478-Q480 PolarHBondContact O-N 2.76Å; F478-L481 PolarHBondContact O-N 3Å; F478-L481 VanDerWaalsContact O-N 3.13Å; F478-D482 WeakPolarHBondContact O-CB 3.27Å; F478-D482 PolarHBondContact O-N 3.19Å; F478-I489 HydrophobicContact CB-CD1 4.48Å; F478-I489 HydrophobicContact CD1-CD1 3.26Å; F478-I489 HydrophobicContact CE1-CD1 3.61Å; F478-I489 HydrophobicContact CG-CD1 4.04Å; F478-W494 AromaticContact CE1-CD1 3.73Å; F478-W494 AromaticContact CZ-CD1 3.62Å; F478-W494 AromaticContact CZ-NE1 3.91Å; F478-V497 HydrophobicContact CD1-CB 4.1Å; F478-V497 HydrophobicContact CD1-CG1 3.77Å; F478-V497 HydrophobicContact CD1-CG2 4.22Å; F478-V497 HydrophobicContact CE1-CB 3.58Å; F478-V497 HydrophobicContact CE1-CG1 3.33Å; F478-V497 HydrophobicContact CE1-CG2 4.17Å; F478-V497 HydrophobicContact CZ-CB 4.39Å; F478-V497 HydrophobicContact CZ-CG1 3.84Å; F478-M498 HydrophobicContact CZ-SD 4.11Å; F478-Y528 HydrophobicContact CB-CD1 4.29Å; F478-Y528 HydrophobicContact CB-CD2 3.96Å; F478-Y528 HydrophobicContact CB-CE1 4.3Å; F478-Y528 HydrophobicContact CB-CE2 4Å; F478-Y528 HydrophobicContact CB-CG 4.12Å; F478-Y528 AromaticContact CD2-CD2 3.73Å; F478-Y528 HydrophobicContact CD2-CD2 3.73Å; F478-Y528 HydrophobicContact CD2-CE2 4.47Å; F478-Y528 AromaticContact CD2-CG 3.98Å; F478-Y528 HydrophobicContact CD2-CG 3.98Å; F478-Y528 HydrophobicContact CG-CD2 4.09Å; F478-Y528 HydrophobicContact CG-CG 4.08Å; F478-M531 HydrophobicContact CD2-CE 4.33Å; F478-M531 HydrophobicContact CE2-CE 3.39Å; F478-M531 HydrophobicContact CE2-SD 4.3Å; F478-M531 HydrophobicContact CZ-CE 3.68Å; F478-F532 HydrophobicContact CE2-CZ 4.4Å
479	S	93.8	Very high	93.2	Very high	61 Å²	61	74.4 Å²	74.4	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-30.6	179.1	72.4	0	0	0	0	113.3	L475 E476 L481	L475-S479 VanDerWaalsContact O-CB 3.3Å; L475-S479 WeakPolarHBondContact O-CB 3.34Å; L475-S479 PolarHBondContact O-N 3.12Å; L475-S479 PolarHBondContact O-OG 2.57Å; E476-S479 PolarHBondContact O-N 2.82Å; E476-S479 PolarHBondContact O-OG 2.73Å; S479-L481 VanDerWaalsContact C-N 3.3Å; S479-L481 PolarHBondContact O-N 3.42Å
480	Q	94.6	Very high	93.7	Very high	131 Å²	131	71.4 Å²	71.4	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-69.6	-28.8	175.4	-68.8	172.8	6.6	0	0	112.4	E476 C477 F478	E476-Q480 WeakPolarHBondContact O-CG 3.48Å; E476-Q480 PolarHBondContact O-N 3.3Å; C477-Q480 PolarHBondContact O-N 3.06Å; F478-Q480 VanDerWaalsContact C-N 3.28Å; F478-Q480 PolarHBondContact O-N 2.76Å
481	L	94.3	Very high	93.9	Very high	77 Å²	77	70.1 Å²	70.1	40%	0.403	36%	0.362	S	S	.	.	H	α-helix	trans	-89.4	-30.8	178.4	-66.1	163.5	0	0	0	112.2	C477 F478 S479 I483 I489 D493 V497	C477-L481 PolarHBondContact O-N 3.38Å; F478-L481 PolarHBondContact O-N 3Å; F478-L481 VanDerWaalsContact O-N 3.13Å; S479-L481 VanDerWaalsContact C-N 3.3Å; S479-L481 PolarHBondContact O-N 3.42Å; L481-I483 VanDerWaalsContact C-N 3.34Å; L481-I483 PolarHBondContact O-N 2.93Å; L481-I483 VanDerWaalsContact O-N 3.12Å; L481-I489 HydrophobicContact CB-CG2 4.32Å; L481-D493 HydrophobicContact CD1-CB 3.92Å; L481-V497 HydrophobicContact CD1-CG2 3.63Å
482	D	94.3	Very high	94	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.048	36%	0.363	C	S	.	.			trans	-85.1	69.9	177.2	-174.4	10.7	0	0	0	111.5	F478 H484 N485 S486 G487 I489 Y528	F478-D482 WeakPolarHBondContact O-CB 3.27Å; F478-D482 PolarHBondContact O-N 3.19Å; D482-H484 PolarHBondContact O-N 3.47Å; D482-N485 PolarHBondContact O-N 2.88Å; D482-N485 PolarHBondContact OD1-N 2.89Å; D482-S486 VanDerWaalsContact CG-N 3.32Å; D482-S486 PolarHBondContact OD1-N 2.89Å; D482-S486 PolarHBondContact OD1-OG 3.46Å; D482-S486 PolarHBondContact OD2-N 3.23Å; D482-S486 VanDerWaalsContact OD2-N 3.1Å; D482-G487 WeakPolarHBondContact OD2-CA 3.41Å; D482-G487 PolarHBondContact OD2-N 2.72Å; D482-I489 HydrophobicContact CB-CG2 3.91Å; D482-Y528 HydrophobicContact CB-CE1 4.12Å; D482-Y528 WeakPolarHBondContact OD2-CE1 3.37Å; D482-Y528 PolarHBondContact OD2-OH 2.75Å
483	I	89.8	Confident	94.2	Very high	147 Å²	147	63.8 Å²	63.8	75%	0.754	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31	-175.2	-59.7	167.2	0	0	0	112.6	L481	L481-I483 VanDerWaalsContact C-N 3.34Å; L481-I483 PolarHBondContact O-N 2.93Å; L481-I483 VanDerWaalsContact O-N 3.12Å
484	H	90.6	Very high	94.3	Very high	167 Å²	167	59 Å²	59	77%	0.773	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	1.6	-178.7	-61.2	-57.6	0	0	0	113.7	D482 S486	D482-H484 PolarHBondContact O-N 3.47Å; H484-S486 PolarHBondContact O-N 3Å
485	N	90.3	Very high	94.3	Very high	133 Å²	133	59.5 Å²	59.5	71%	0.711	32%	0.323	S	S	*	.			trans	49.3	41.9	-175.2	-165.9	38.4	0	0	0	112.4	D482 G487	D482-N485 PolarHBondContact O-N 2.88Å; D482-N485 PolarHBondContact OD1-N 2.89Å; N485-G487 VanDerWaalsContact C-N 3.34Å
486	S	91.9	Very high	94.3	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	34%	0.336	S	S	.	.			trans	-80	-16.8	-175.8	64.7	0	0	0	0	113.1	D482 H484 I488	D482-S486 VanDerWaalsContact CG-N 3.32Å; D482-S486 PolarHBondContact OD1-N 2.89Å; D482-S486 PolarHBondContact OD1-OG 3.46Å; D482-S486 PolarHBondContact OD2-N 3.23Å; D482-S486 VanDerWaalsContact OD2-N 3.1Å; H484-S486 PolarHBondContact O-N 3Å; S486-I488 VanDerWaalsContact C-N 3.29Å; S486-I488 PolarHBondContact OG-N 2.94Å; S486-I488 VanDerWaalsContact OG-N 3.16Å; S486-I488 PolarHBondContact OG-O 2.98Å
487	G	93.1	Very high	94.3	Very high	13 Å²	13	57 Å²	57	13%	0.134	31%	0.314	C	S	.	.	S	Bend	trans	80.2	8.8	-168.5	0	0	0	0	0	113.6	D482 N485 A527 Y528	D482-G487 WeakPolarHBondContact OD2-CA 3.41Å; D482-G487 PolarHBondContact OD2-N 2.72Å; N485-G487 VanDerWaalsContact C-N 3.34Å; G487-A527 WeakPolarHBondContact O-CA 3.45Å; G487-Y528 VanDerWaalsContact O-CD1 3.27Å; G487-Y528 WeakPolarHBondContact O-CD1 3.2Å; G487-Y528 WeakPolarHBondContact O-CE1 3.4Å; G487-Y528 PolarHBondContact O-N 2.63Å
488	I	94	Very high	94.3	Very high	49 Å²	49	55.6 Å²	55.6	25%	0.251	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.6	-172.3	-56.9	174.5	0	0	0	110.3	S486 Q525 V526	S486-I488 VanDerWaalsContact C-N 3.29Å; S486-I488 PolarHBondContact OG-N 2.94Å; S486-I488 VanDerWaalsContact OG-N 3.16Å; S486-I488 PolarHBondContact OG-O 2.98Å; I488-Q525 HydrophobicContact CG2-CB 3.71Å; I488-Q525 HydrophobicContact CG2-CG 4.34Å; I488-V526 WeakPolarHBondContact CA-O 3.37Å
489	I	95.4	Very high	94	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	166.7	173.1	62.7	178.2	0	0	0	110.8	F478 L481 D482 W494 Q525 V526 Y528	F478-I489 HydrophobicContact CB-CD1 4.48Å; F478-I489 HydrophobicContact CD1-CD1 3.26Å; F478-I489 HydrophobicContact CE1-CD1 3.61Å; F478-I489 HydrophobicContact CG-CD1 4.04Å; L481-I489 HydrophobicContact CB-CG2 4.32Å; D482-I489 HydrophobicContact CB-CG2 3.91Å; I489-W494 HydrophobicContact CD1-CB 3.84Å; I489-W494 HydrophobicContact CD1-CG 4.46Å; I489-W494 HydrophobicContact CG1-CB 4.23Å; I489-Q525 CarbonylContact O-C 3.6Å; I489-Q525 VanDerWaalsContact O-CA 3.29Å; I489-Q525 WeakPolarHBondContact O-CA 3.35Å; I489-V526 HydrophobicContact CD1-CG2 4.47Å; I489-V526 HydrophobicContact CG1-CG2 3.74Å; I489-V526 PolarHBondContact N-O 2.96Å; I489-V526 VanDerWaalsContact N-O 3.13Å; I489-V526 PolarHBondContact O-N 3.34Å; I489-Y528 HydrophobicContact CB-CD1 4.45Å; I489-Y528 HydrophobicContact CD1-CD1 4.25Å; I489-Y528 HydrophobicContact CG1-CD1 4.02Å; I489-Y528 HydrophobicContact CG2-CD1 3.89Å; I489-Y528 HydrophobicContact CG2-CE1 3.94Å
490	S	95.3	Very high	94	Very high	38 Å²	38	57.6 Å²	57.6	27%	0.266	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.7	173.5	92.2	0	0	0	0	111.1	T492 D493 W494	S490-T492 PolarHBondContact O-N 3.31Å; S490-T492 PolarHBondContact OG-N 3.26Å; S490-D493 WeakPolarHBondContact CB-OD2 3.42Å; S490-D493 PolarHBondContact O-N 3.23Å; S490-D493 PolarHBondContact OG-N 3.35Å; S490-D493 VanDerWaalsContact OG-N 3.09Å; S490-D493 PolarHBondContact OG-OD2 3.16Å; S490-W494 PolarHBondContact O-N 3.13Å
491	L	93.7	Very high	93.9	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-32.3	176.7	174.6	56.6	0	0	0	112	W494 C495 R509 R512 D524 V526	L491-W494 HydrophobicContact CD1-CE3 4.04Å; L491-C495 PolarHBondContact O-N 3.29Å; L491-C495 PolarHBondContact O-SG 3.06Å; L491-R509 HydrophobicContact CD2-CG 4.41Å; L491-R512 HydrophobicContact CD1-CB 4.21Å; L491-R512 HydrophobicContact CD1-CG 3.45Å; L491-R512 VanDerWaalsContact CD1-CG 3.45Å; L491-D524 VanDerWaalsContact CB-O 3.25Å; L491-D524 WeakPolarHBondContact CB-O 3.35Å; L491-D524 PolarHBondContact N-O 3.07Å; L491-V526 HydrophobicContact CB-CG1 4.43Å; L491-V526 HydrophobicContact CD1-CG1 3.88Å
492	T	95.5	Very high	93.6	Very high	66 Å²	66	48 Å²	48	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-68	-49.3	178.2	-62.1	0	0	0	0	110.2	S490 W494 C495 D496 R509	S490-T492 PolarHBondContact O-N 3.31Å; S490-T492 PolarHBondContact OG-N 3.26Å; T492-W494 VanDerWaalsContact C-N 3.26Å; T492-W494 PolarHBondContact O-N 2.97Å; T492-C495 WeakPolarHBondContact O-CB 3.45Å; T492-C495 PolarHBondContact O-N 2.78Å; T492-D496 PolarHBondContact O-N 3.45Å; T492-R509 PolarHBondContact OG1-NH2 2.69Å
493	D	96.3	Very high	93.2	Very high	60 Å²	60	53.8 Å²	53.8	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-38.6	177.9	-55.8	-41.9	0	0	0	111.4	L481 S490 C495 D496 V497	L481-D493 HydrophobicContact CD1-CB 3.92Å; S490-D493 WeakPolarHBondContact CB-OD2 3.42Å; S490-D493 PolarHBondContact O-N 3.23Å; S490-D493 PolarHBondContact OG-N 3.35Å; S490-D493 VanDerWaalsContact OG-N 3.09Å; S490-D493 PolarHBondContact OG-OD2 3.16Å; D493-C495 VanDerWaalsContact C-N 3.34Å; D493-C495 PolarHBondContact O-N 3.21Å; D493-D496 PolarHBondContact O-N 3.29Å; D493-V497 WeakPolarHBondContact O-CB 3.11Å; D493-V497 WeakPolarHBondContact O-CG2 3.37Å; D493-V497 PolarHBondContact O-N 3.13Å
494	W	96.1	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-44.8	173.5	-178.3	81.8	0	0	0	112	F478 I489 S490 L491 T492 D496 M498 W508 R512 L515 V516 V526	F478-W494 AromaticContact CE1-CD1 3.73Å; F478-W494 AromaticContact CZ-CD1 3.62Å; F478-W494 AromaticContact CZ-NE1 3.91Å; I489-W494 HydrophobicContact CD1-CB 3.84Å; I489-W494 HydrophobicContact CD1-CG 4.46Å; I489-W494 HydrophobicContact CG1-CB 4.23Å; S490-W494 PolarHBondContact O-N 3.13Å; L491-W494 HydrophobicContact CD1-CE3 4.04Å; T492-W494 VanDerWaalsContact C-N 3.26Å; T492-W494 PolarHBondContact O-N 2.97Å; W494-D496 VanDerWaalsContact C-N 3.32Å; W494-D496 PolarHBondContact O-N 2.87Å; W494-M498 HydrophobicContact CD2-CG 3.85Å; W494-M498 VanDerWaalsContact CE2-CG 3.5Å; W494-M498 HydrophobicContact CE3-CG 4.29Å; W494-M498 HydrophobicContact CG-CG 4.34Å; W494-M498 HydrophobicContact CH2-CG 4.14Å; W494-M498 HydrophobicContact CZ2-CE 4.16Å; W494-M498 HydrophobicContact CZ2-CG 3.67Å; W494-M498 HydrophobicContact CZ2-SD 4.09Å; W494-M498 HydrophobicContact CZ3-CG 4.42Å; W494-M498 WeakPolarHBondContact O-CB 3.47Å; W494-M498 WeakPolarHBondContact O-CG 3.49Å; W494-M498 PolarHBondContact O-N 2.53Å; W494-W508 HydrophobicContact CE3-CB 4.5Å; W494-W508 HydrophobicContact CH2-CE3 4.15Å; W494-W508 HydrophobicContact CZ3-CB 3.87Å; W494-W508 WeakPolarHBondContact CZ3-O 3.33Å; W494-R512 HydrophobicContact CH2-CB 4.45Å; W494-R512 HydrophobicContact CZ3-CB 4.01Å; W494-R512 HydrophobicContact CZ3-CG 4.36Å; W494-L515 HydrophobicContact CH2-CB 4.43Å; W494-L515 HydrophobicContact CH2-CD1 4.3Å; W494-L515 HydrophobicContact CZ2-CB 4.43Å; W494-V516 HydrophobicContact CD2-CG1 4.23Å; W494-V516 HydrophobicContact CH2-CG1 4.08Å; W494-V516 HydrophobicContact CZ2-CB 4.18Å; W494-V516 HydrophobicContact CZ2-CG1 3.74Å; W494-V516 HydrophobicContact CZ3-CG1 4.45Å; W494-V526 HydrophobicContact CB-CG2 3.63Å; W494-V526 HydrophobicContact CG-CG2 3.72Å
495	C	96	Very high	92.6	Very high	12 Å²	12	46 Å²	46	8%	0.081	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-41.9	177.7	-67.2	0	0	0	0	111.8	L491 T492 D493 M498 A499 W508	L491-C495 PolarHBondContact O-N 3.29Å; L491-C495 PolarHBondContact O-SG 3.06Å; T492-C495 WeakPolarHBondContact O-CB 3.45Å; T492-C495 PolarHBondContact O-N 2.78Å; D493-C495 VanDerWaalsContact C-N 3.34Å; D493-C495 PolarHBondContact O-N 3.21Å; C495-M498 PolarHBondContact O-N 3.24Å; C495-A499 WeakPolarHBondContact O-CB 3.46Å; C495-A499 PolarHBondContact O-N 3.41Å; C495-W508 HydrophobicContact CB-CB 4Å
496	D	95.6	Very high	92.5	Very high	97 Å²	97	40.5 Å²	40.5	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-70.6	-41.2	-176.9	-65.5	-18.9	0	0	0	111.7	T492 D493 W494 A499 S500	T492-D496 PolarHBondContact O-N 3.45Å; D493-D496 PolarHBondContact O-N 3.29Å; W494-D496 VanDerWaalsContact C-N 3.32Å; W494-D496 PolarHBondContact O-N 2.87Å; D496-A499 PolarHBondContact O-N 2.85Å; D496-S500 VanDerWaalsContact O-CB 3.28Å; D496-S500 WeakPolarHBondContact O-CB 3.25Å; D496-S500 PolarHBondContact O-N 3.19Å; D496-S500 PolarHBondContact O-OG 2.92Å
497	V	97	Very high	92.4	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-44.9	173.3	172.6	0	0	0	0	110.9	L474 C477 F478 L481 D493 A499 S500 V501	L474-V497 HydrophobicContact CD2-CG1 3.95Å; C477-V497 HydrophobicContact CB-CG1 3.6Å; C477-V497 HydrophobicContact CB-CG2 4.11Å; F478-V497 HydrophobicContact CD1-CB 4.1Å; F478-V497 HydrophobicContact CD1-CG1 3.77Å; F478-V497 HydrophobicContact CD1-CG2 4.22Å; F478-V497 HydrophobicContact CE1-CB 3.58Å; F478-V497 HydrophobicContact CE1-CG1 3.33Å; F478-V497 HydrophobicContact CE1-CG2 4.17Å; F478-V497 HydrophobicContact CZ-CB 4.39Å; F478-V497 HydrophobicContact CZ-CG1 3.84Å; L481-V497 HydrophobicContact CD1-CG2 3.63Å; D493-V497 WeakPolarHBondContact O-CB 3.11Å; D493-V497 WeakPolarHBondContact O-CG2 3.37Å; D493-V497 PolarHBondContact O-N 3.13Å; V497-A499 VanDerWaalsContact C-N 3.34Å; V497-A499 PolarHBondContact O-N 2.92Å; V497-S500 WeakPolarHBondContact CA-OG 3.5Å; V497-S500 PolarHBondContact O-N 3.45Å; V497-S500 PolarHBondContact O-OG 3.18Å; V497-S500 VanDerWaalsContact O-OG 3.07Å; V497-V501 HydrophobicContact CG1-CG2 3.98Å; V497-V501 WeakPolarHBondContact O-CB 3.4Å; V497-V501 WeakPolarHBondContact O-CG2 3.3Å; V497-V501 PolarHBondContact O-N 3.41Å
498	M	95.4	Very high	92.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-44.4	178	-70	-63.4	-65.7	0	0	111.5	I467 L474 F478 W494 C495 T502 W508 M531	I467-M498 HydrophobicContact CD1-CE 3.63Å; I467-M498 HydrophobicContact CG1-CE 3.72Å; I467-M498 HydrophobicContact CG2-CE 4.27Å; L474-M498 HydrophobicContact CD1-SD 4.28Å; L474-M498 HydrophobicContact CD2-SD 3.78Å; F478-M498 HydrophobicContact CZ-SD 4.11Å; W494-M498 HydrophobicContact CD2-CG 3.85Å; W494-M498 VanDerWaalsContact CE2-CG 3.5Å; W494-M498 HydrophobicContact CE3-CG 4.29Å; W494-M498 HydrophobicContact CG-CG 4.34Å; W494-M498 HydrophobicContact CH2-CG 4.14Å; W494-M498 HydrophobicContact CZ2-CE 4.16Å; W494-M498 HydrophobicContact CZ2-CG 3.67Å; W494-M498 HydrophobicContact CZ2-SD 4.09Å; W494-M498 HydrophobicContact CZ3-CG 4.42Å; W494-M498 WeakPolarHBondContact O-CB 3.47Å; W494-M498 WeakPolarHBondContact O-CG 3.49Å; W494-M498 PolarHBondContact O-N 2.53Å; C495-M498 PolarHBondContact O-N 3.24Å; M498-T502 HydrophobicContact CE-CG2 4.33Å; M498-T502 WeakPolarHBondContact O-CB 3.35Å; M498-T502 WeakPolarHBondContact O-CG2 3.4Å; M498-T502 PolarHBondContact O-N 2.84Å; M498-T502 VanDerWaalsContact O-N 3.11Å; M498-T502 PolarHBondContact O-OG1 2.94Å; M498-W508 HydrophobicContact CB-CD2 3.55Å; M498-W508 HydrophobicContact CB-CE3 3.87Å; M498-W508 HydrophobicContact CB-CG 3.86Å; M498-W508 HydrophobicContact CB-CH2 4.43Å; M498-W508 HydrophobicContact CB-CZ2 4.16Å; M498-W508 HydrophobicContact CB-CZ3 4.31Å; M498-W508 HydrophobicContact CE-CE3 3.9Å; M498-W508 HydrophobicContact CE-CH2 3.76Å; M498-W508 HydrophobicContact CE-CZ3 3.41Å; M498-W508 VanDerWaalsContact CE-CZ3 3.41Å; M498-W508 HydrophobicContact CG-CD2 4.44Å; M498-W508 HydrophobicContact CG-CE3 4.33Å; M498-M531 HydrophobicContact CE-SD 4.48Å; M498-M531 HydrophobicContact SD-SD 3.98Å
499	A	92.1	Very high	92.2	Very high	40 Å²	40	43.4 Å²	43.4	33%	0.331	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-45	176.7	0	0	0	0	0	112.5	C495 D496 V497 H503 W508	C495-A499 WeakPolarHBondContact O-CB 3.46Å; C495-A499 PolarHBondContact O-N 3.41Å; D496-A499 PolarHBondContact O-N 2.85Å; V497-A499 VanDerWaalsContact C-N 3.34Å; V497-A499 PolarHBondContact O-N 2.92Å; A499-H503 VanDerWaalsContact O-CA 3.31Å; A499-H503 WeakPolarHBondContact O-CA 3.41Å; A499-H503 PolarHBondContact O-N 3.41Å; A499-H503 VanDerWaalsContact O-N 3.1Å; A499-W508 VanDerWaalsContact CA-NE1 3.34Å
500	S	92.1	Very high	91.8	Very high	63 Å²	63	45 Å²	45	44%	0.441	24%	0.243	S	C	.	.	H	α-helix	trans	-73.4	-34.4	-176.3	59.1	0	0	0	0	113.7	D496 V497 H503	D496-S500 VanDerWaalsContact O-CB 3.28Å; D496-S500 WeakPolarHBondContact O-CB 3.25Å; D496-S500 PolarHBondContact O-N 3.19Å; D496-S500 PolarHBondContact O-OG 2.92Å; V497-S500 WeakPolarHBondContact CA-OG 3.5Å; V497-S500 PolarHBondContact O-N 3.45Å; V497-S500 PolarHBondContact O-OG 3.18Å; V497-S500 VanDerWaalsContact O-OG 3.07Å; S500-H503 PolarHBondContact O-CE1 3.39Å; S500-H503 PolarHBondContact O-ND1 2.96Å; S500-H503 PolarHBondContact O-NE2 3.12Å
501	V	92.9	Very high	91.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-85.6	-43.5	-177.3	173.4	0	0	0	0	112	H470 K473 L474 V497 H503	H470-V501 HydrophobicContact CB-CG1 3.92Å; K473-V501 HydrophobicContact CB-CG1 4.14Å; K473-V501 HydrophobicContact CD-CG1 4Å; K473-V501 HydrophobicContact CG-CG1 3.96Å; K473-V501 HydrophobicContact CG-CG2 4.3Å; L474-V501 HydrophobicContact CD2-CB 3.65Å; L474-V501 HydrophobicContact CD2-CG1 3.65Å; L474-V501 HydrophobicContact CD2-CG2 4.06Å; L474-V501 HydrophobicContact CG-CB 4.32Å; L474-V501 HydrophobicContact CG-CG1 3.75Å; V497-V501 HydrophobicContact CG1-CG2 3.98Å; V497-V501 WeakPolarHBondContact O-CB 3.4Å; V497-V501 WeakPolarHBondContact O-CG2 3.3Å; V497-V501 PolarHBondContact O-N 3.41Å; V501-H503 PolarHBondContact O-CD2 3.13Å
502	T	89.2	Confident	91.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-83.1	-17.6	-178.7	69.1	0	0	0	0	113	M498 L504 W508	M498-T502 HydrophobicContact CE-CG2 4.33Å; M498-T502 WeakPolarHBondContact O-CB 3.35Å; M498-T502 WeakPolarHBondContact O-CG2 3.4Å; M498-T502 PolarHBondContact O-N 2.84Å; M498-T502 VanDerWaalsContact O-N 3.11Å; M498-T502 PolarHBondContact O-OG1 2.94Å; T502-L504 PolarHBondContact O-N 3.47Å; T502-L504 VanDerWaalsContact O-N 3.13Å; T502-L504 PolarHBondContact OG1-N 3.39Å; T502-W508 HydrophobicContact CG2-CH2 4.3Å; T502-W508 HydrophobicContact CG2-CZ2 4.41Å; T502-W508 WeakPolarHBondContact OG1-CZ2 3.42Å
503	H	85.4	Confident	90.6	Very high	131 Å²	131	44 Å²	44	61%	0.606	23%	0.231	S	C	*	.			trans	56.9	19.5	-174.3	-55.5	-70.8	0	0	0	114.4	A499 S500 V501	A499-H503 VanDerWaalsContact O-CA 3.31Å; A499-H503 WeakPolarHBondContact O-CA 3.41Å; A499-H503 PolarHBondContact O-N 3.41Å; A499-H503 VanDerWaalsContact O-N 3.1Å; S500-H503 PolarHBondContact O-CE1 3.39Å; S500-H503 PolarHBondContact O-ND1 2.96Å; S500-H503 PolarHBondContact O-NE2 3.12Å; V501-H503 PolarHBondContact O-CD2 3.13Å
504	L	85.9	Confident	89.9	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.216	C	C	.	.			trans	-87.9	130.3	176.5	-56.7	170.1	0	0	0	110.9	L49 V52 L463 R466 T502 L506 W508	L49-L504 HydrophobicContact CD2-CD1 4.29Å; L49-L504 HydrophobicContact CD2-CD2 4.22Å; V52-L504 HydrophobicContact CG2-CD2 3.55Å; L463-L504 HydrophobicContact CD1-CD1 3.57Å; R466-L504 HydrophobicContact CG-CD1 4.39Å; T502-L504 PolarHBondContact O-N 3.47Å; T502-L504 VanDerWaalsContact O-N 3.13Å; T502-L504 PolarHBondContact OG1-N 3.39Å; L504-L506 HydrophobicContact CB-CD1 3.83Å; L504-L506 HydrophobicContact CB-CG 4.01Å; L504-L506 HydrophobicContact CD1-CD1 3.84Å; L504-L506 HydrophobicContact CG-CD1 4.44Å; L504-L506 PolarHBondContact O-N 3.47Å; L504-W508 HydrophobicContact CB-CZ2 3.92Å; L504-W508 HydrophobicContact CD1-CH2 4.11Å; L504-W508 HydrophobicContact CD1-CZ2 4.28Å
505	K	81.6	Confident	89.4	Confident	146 Å²	146	41.4 Å²	41.4	64%	0.635	22%	0.217	S	C	*	.			trans	-78.4	56.8	176.2	-65.8	-179.3	-179.8	171.8	0	111.7	G329 F330	G329-K505 PolarHBondContact O-NZ 2.97Å; F330-K505 HydrophobicContact CD2-CD 4.36Å
506	L	88.5	Confident	89	Confident	18 Å²	18	41 Å²	41	9%	0.094	21%	0.214	C	C	.	.			trans	-104.1	151	-177.9	-70.8	170.2	0	0	0	112.4	Q44 V45 S48 L463 L504 W508 L511	Q44-L506 HydrophobicContact CB-CD2 4.2Å; Q44-L506 WeakPolarHBondContact O-CD2 3.39Å; V45-L506 HydrophobicContact CG2-CD1 4.24Å; V45-L506 HydrophobicContact CG2-CD2 4.08Å; S48-L506 WeakPolarHBondContact OG-CD2 3.22Å; L463-L506 HydrophobicContact CD1-CD1 3.76Å; L463-L506 HydrophobicContact CD2-CD1 4.37Å; L504-L506 HydrophobicContact CB-CD1 3.83Å; L504-L506 HydrophobicContact CB-CG 4.01Å; L504-L506 HydrophobicContact CD1-CD1 3.84Å; L504-L506 HydrophobicContact CG-CD1 4.44Å; L504-L506 PolarHBondContact O-N 3.47Å; L506-W508 VanDerWaalsContact C-N 3.29Å; L506-W508 HydrophobicContact CB-CD2 4.34Å; L506-W508 HydrophobicContact CB-CZ2 4.19Å; L506-W508 HydrophobicContact CD1-CH2 3.92Å; L506-W508 HydrophobicContact CD1-CZ2 4.07Å; L506-W508 HydrophobicContact CD1-CZ3 4.38Å; L506-W508 PolarHBondContact O-N 3.16Å; L506-L511 HydrophobicContact CB-CD1 3.73Å; L506-L511 HydrophobicContact CD1-CD1 3.78Å; L506-L511 HydrophobicContact CD2-CD1 4.19Å; L506-L511 HydrophobicContact CG-CD1 4.12Å
507	S	89.6	Confident	88.6	Confident	53 Å²	53	40.7 Å²	40.7	37%	0.371	21%	0.212	S	C	.	.			trans	-77.3	82.1	166.7	-175.4	0	0	0	0	110	R509 C510 L511	S507-R509 PolarHBondContact O-N 3.24Å; S507-C510 WeakPolarHBondContact O-CA 3.32Å; S507-C510 WeakPolarHBondContact O-CB 3.35Å; S507-C510 PolarHBondContact O-N 3.49Å; S507-C510 PolarHBondContact OG-SG 2.66Å; S507-L511 PolarHBondContact O-N 3.2Å
508	W	92.6	Very high	88.1	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-54.9	-38.9	-178.9	-66.3	110	0	0	0	112.6	L463 I467 W494 C495 M498 A499 T502 L504 L506 C510 L511 R512 L515	L463-W508 HydrophobicContact CD1-CH2 4.08Å; L463-W508 HydrophobicContact CD1-CZ3 4.41Å; L463-W508 HydrophobicContact CD2-CZ3 4.47Å; I467-W508 HydrophobicContact CD1-CZ3 4.39Å; W494-W508 HydrophobicContact CE3-CB 4.5Å; W494-W508 HydrophobicContact CH2-CE3 4.15Å; W494-W508 HydrophobicContact CZ3-CB 3.87Å; W494-W508 WeakPolarHBondContact CZ3-O 3.33Å; C495-W508 HydrophobicContact CB-CB 4Å; M498-W508 HydrophobicContact CB-CD2 3.55Å; M498-W508 HydrophobicContact CB-CE3 3.87Å; M498-W508 HydrophobicContact CB-CG 3.86Å; M498-W508 HydrophobicContact CB-CH2 4.43Å; M498-W508 HydrophobicContact CB-CZ2 4.16Å; M498-W508 HydrophobicContact CB-CZ3 4.31Å; M498-W508 HydrophobicContact CE-CE3 3.9Å; M498-W508 HydrophobicContact CE-CH2 3.76Å; M498-W508 HydrophobicContact CE-CZ3 3.41Å; M498-W508 VanDerWaalsContact CE-CZ3 3.41Å; M498-W508 HydrophobicContact CG-CD2 4.44Å; M498-W508 HydrophobicContact CG-CE3 4.33Å; A499-W508 VanDerWaalsContact CA-NE1 3.34Å; T502-W508 HydrophobicContact CG2-CH2 4.3Å; T502-W508 HydrophobicContact CG2-CZ2 4.41Å; T502-W508 WeakPolarHBondContact OG1-CZ2 3.42Å; L504-W508 HydrophobicContact CB-CZ2 3.92Å; L504-W508 HydrophobicContact CD1-CH2 4.11Å; L504-W508 HydrophobicContact CD1-CZ2 4.28Å; L506-W508 VanDerWaalsContact C-N 3.29Å; L506-W508 HydrophobicContact CB-CD2 4.34Å; L506-W508 HydrophobicContact CB-CZ2 4.19Å; L506-W508 HydrophobicContact CD1-CH2 3.92Å; L506-W508 HydrophobicContact CD1-CZ2 4.07Å; L506-W508 HydrophobicContact CD1-CZ3 4.38Å; L506-W508 PolarHBondContact O-N 3.16Å; W508-C510 VanDerWaalsContact C-N 3.28Å; W508-C510 PolarHBondContact O-N 2.95Å; W508-L511 HydrophobicContact CE3-CD1 4.14Å; W508-L511 HydrophobicContact CZ3-CD1 4.3Å; W508-L511 CarbonylContact O-C 3.57Å; W508-L511 PolarHBondContact O-N 3.29Å; W508-R512 PolarHBondContact O-N 3.49Å; W508-L515 HydrophobicContact CE3-CD1 4.25Å; W508-L515 HydrophobicContact CZ3-CD1 3.98Å
509	R	91	Very high	87.6	Confident	130 Å²	130	43.4 Å²	43.4	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-59.1	-38.1	175.7	-167.2	174	-63.9	-86.6	-0.7	112.6	L491 T492 S507 R512	L491-R509 HydrophobicContact CD2-CG 4.41Å; T492-R509 PolarHBondContact OG1-NH2 2.69Å; S507-R509 PolarHBondContact O-N 3.24Å; R509-R512 WeakPolarHBondContact O-CB 3.37Å
510	C	86.8	Confident	87.1	Confident	43 Å²	43	50 Å²	50	29%	0.291	26%	0.255	S	S	.	.	H	α-helix	trans	-69.8	-40.7	173.6	-72.1	0	0	0	0	111.9	F37 S507 W508 R512	F37-C510 HydrophobicContact CE1-CB 4.39Å; F37-C510 WeakPolarHBondContact CE1-O 3.29Å; F37-C510 HydrophobicContact CE2-CB 4.3Å; F37-C510 HydrophobicContact CZ-CB 3.56Å; S507-C510 WeakPolarHBondContact O-CA 3.32Å; S507-C510 WeakPolarHBondContact O-CB 3.35Å; S507-C510 PolarHBondContact O-N 3.49Å; S507-C510 PolarHBondContact OG-SG 2.66Å; W508-C510 VanDerWaalsContact C-N 3.28Å; W508-C510 PolarHBondContact O-N 2.95Å; C510-R512 VanDerWaalsContact C-N 3.35Å
511	L	88.2	Confident	86.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-74.8	-22	-177.9	-68	171	0	0	0	114.1	C41 V45 F460 L463 L506 S507 W508 S513 F514 L515	C41-L511 HydrophobicContact CB-CD2 3.66Å; V45-L511 HydrophobicContact CG2-CD1 4.17Å; V45-L511 HydrophobicContact CG2-CD2 3.88Å; F460-L511 HydrophobicContact CE1-CD2 3.71Å; F460-L511 HydrophobicContact CZ-CD2 4.19Å; L463-L511 HydrophobicContact CD2-CD1 4.08Å; L506-L511 HydrophobicContact CB-CD1 3.73Å; L506-L511 HydrophobicContact CD1-CD1 3.78Å; L506-L511 HydrophobicContact CD2-CD1 4.19Å; L506-L511 HydrophobicContact CG-CD1 4.12Å; S507-L511 PolarHBondContact O-N 3.2Å; W508-L511 HydrophobicContact CE3-CD1 4.14Å; W508-L511 HydrophobicContact CZ3-CD1 4.3Å; W508-L511 CarbonylContact O-C 3.57Å; W508-L511 PolarHBondContact O-N 3.29Å; L511-S513 PolarHBondContact O-N 3.13Å; L511-F514 PolarHBondContact O-N 2.79Å; L511-L515 HydrophobicContact CB-CD1 3.8Å; L511-L515 PolarHBondContact O-N 3.11Å
512	R	88.9	Confident	86.1	Confident	61 Å²	61	57.8 Å²	57.8	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-42.3	-44.2	-179.3	-176.4	-68.8	-47	156.6	2.7	112.4	L491 W494 W508 R509 C510 F514 L515 V516 V526	L491-R512 HydrophobicContact CD1-CB 4.21Å; L491-R512 HydrophobicContact CD1-CG 3.45Å; L491-R512 VanDerWaalsContact CD1-CG 3.45Å; W494-R512 HydrophobicContact CH2-CB 4.45Å; W494-R512 HydrophobicContact CZ3-CB 4.01Å; W494-R512 HydrophobicContact CZ3-CG 4.36Å; W508-R512 PolarHBondContact O-N 3.49Å; R509-R512 WeakPolarHBondContact O-CB 3.37Å; C510-R512 VanDerWaalsContact C-N 3.35Å; R512-F514 PolarHBondContact O-N 3.26Å; R512-L515 PolarHBondContact O-N 3.31Å; R512-L515 VanDerWaalsContact O-N 3.13Å; R512-V516 HydrophobicContact CB-CG1 4.44Å; R512-V516 HydrophobicContact CG-CG1 3.68Å; R512-V516 PolarHBondContact O-N 3.17Å; R512-V526 HydrophobicContact CG-CG1 4.2Å
513	S	81.6	Confident	85.7	Confident	38 Å²	38	63.2 Å²	63.2	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-14.5	-178.3	79.2	0	0	0	0	116.6	L511	L511-S513 PolarHBondContact O-N 3.13Å
514	F	81.7	Confident	86	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-114.2	-3.4	-178.3	-49.1	-59.1	0	0	0	112.4	F37 R38 C41 F460 L511 R512 C536	F37-F514 AromaticContact CD1-CE2 3.99Å; F37-F514 HydrophobicContact CD1-CE2 3.99Å; F37-F514 AromaticContact CD1-CZ 3.9Å; F37-F514 HydrophobicContact CD1-CZ 3.9Å; F37-F514 AromaticContact CE1-CE2 3.95Å; F37-F514 HydrophobicContact CE1-CE2 3.95Å; F37-F514 HydrophobicContact CE1-CZ 4.24Å; R38-F514 HydrophobicContact CB-CE1 3.86Å; R38-F514 HydrophobicContact CB-CE2 4.3Å; R38-F514 HydrophobicContact CB-CZ 3.56Å; R38-F514 HydrophobicContact CG-CD1 4.21Å; R38-F514 HydrophobicContact CG-CE1 3.72Å; R38-F514 HydrophobicContact CG-CE2 4.29Å; R38-F514 HydrophobicContact CG-CZ 3.76Å; C41-F514 HydrophobicContact CB-CE2 4.14Å; F460-F514 HydrophobicContact CD1-CB 3.9Å; F460-F514 HydrophobicContact CE1-CB 3.47Å; F460-F514 VanDerWaalsContact CE1-CB 3.47Å; F460-F514 AromaticContact CE1-CD2 3.59Å; F460-F514 HydrophobicContact CE1-CD2 3.59Å; F460-F514 AromaticContact CE1-CG 3.75Å; F460-F514 HydrophobicContact CE1-CG 3.75Å; F460-F514 HydrophobicContact CZ-CB 4.01Å; F460-F514 AromaticContact CZ-CD2 3.47Å; F460-F514 HydrophobicContact CZ-CD2 3.47Å; F460-F514 VanDerWaalsContact CZ-CD2 3.47Å; F460-F514 HydrophobicContact CZ-CE2 4.05Å; F460-F514 AromaticContact CZ-CG 3.78Å; F460-F514 HydrophobicContact CZ-CG 3.78Å; L511-F514 PolarHBondContact O-N 2.79Å; R512-F514 PolarHBondContact O-N 3.26Å; F514-C536 CarbonylContact O-C 3.09Å; F514-C536 WeakPolarHBondContact O-CB 3.25Å
515	L	85.5	Confident	86.3	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-125.4	-36.9	-172	-64.5	177	0	0	0	112.8	F460 L463 I467 W494 W508 L511 R512 M531	F460-L515 HydrophobicContact CD1-CD2 4.5Å; L463-L515 HydrophobicContact CD2-CD1 3.82Å; L463-L515 HydrophobicContact CD2-CD2 4.14Å; I467-L515 HydrophobicContact CD1-CD1 4.02Å; I467-L515 HydrophobicContact CD1-CD2 4.07Å; W494-L515 HydrophobicContact CH2-CB 4.43Å; W494-L515 HydrophobicContact CH2-CD1 4.3Å; W494-L515 HydrophobicContact CZ2-CB 4.43Å; W508-L515 HydrophobicContact CE3-CD1 4.25Å; W508-L515 HydrophobicContact CZ3-CD1 3.98Å; L511-L515 HydrophobicContact CB-CD1 3.8Å; L511-L515 PolarHBondContact O-N 3.11Å; R512-L515 PolarHBondContact O-N 3.31Å; R512-L515 VanDerWaalsContact O-N 3.13Å; L515-M531 WeakPolarHBondContact O-CA 3.18Å; L515-M531 WeakPolarHBondContact O-CB 3.23Å
516	V	87.5	Confident	86.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	30%	0.299	C	S	.	.			trans	-143	141	-171.5	70	0	0	0	0	111.6	W494 R512 V526 A527 S530 M531	W494-V516 HydrophobicContact CD2-CG1 4.23Å; W494-V516 HydrophobicContact CH2-CG1 4.08Å; W494-V516 HydrophobicContact CZ2-CB 4.18Å; W494-V516 HydrophobicContact CZ2-CG1 3.74Å; W494-V516 HydrophobicContact CZ3-CG1 4.45Å; R512-V516 HydrophobicContact CB-CG1 4.44Å; R512-V516 HydrophobicContact CG-CG1 3.68Å; R512-V516 PolarHBondContact O-N 3.17Å; V516-V526 HydrophobicContact CG1-CB 4.16Å; V516-V526 HydrophobicContact CG1-CG1 3.84Å; V516-V526 HydrophobicContact CG2-CB 3.98Å; V516-A527 WeakPolarHBondContact CG2-O 3.3Å; V516-S530 WeakPolarHBondContact CG2-OG 2.97Å; V516-M531 HydrophobicContact CB-CB 4.13Å; V516-M531 HydrophobicContact CG2-CB 4.25Å; V516-M531 HydrophobicContact CG2-CE 4.49Å
517	N	86.7	Confident	87	Confident	91 Å²	91	57.7 Å²	57.7	49%	0.487	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	143.6	176.1	-67.1	-21.5	0	0	0	110.8	V526 A527 S530	N517-V526 WeakPolarHBondContact O-CA 3.38Å; N517-A527 PolarHBondContact O-N 3.48Å; N517-S530 WeakPolarHBondContact CB-OG 3.27Å; N517-S530 PolarHBondContact N-OG 3.43Å
518	L	87.5	Confident	87.1	Confident	59 Å²	59	55.6 Å²	55.6	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	155.1	167.6	-67.8	175.7	0	0	0	110	T523 Q525 V526	L518-T523 VanDerWaalsContact CD2-O 3.32Å; L518-T523 WeakPolarHBondContact CD2-O 3.44Å; L518-Q525 WeakPolarHBondContact CA-O 3.17Å; L518-Q525 WeakPolarHBondContact CD2-O 3.48Å; L518-V526 HydrophobicContact CD2-CG1 4.12Å
519	S	85.4	Confident	87	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.084	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-58.9	147.8	164.7	178.5	0	0	0	0	109.8	D521 Q525	S519-D521 PolarHBondContact O-N 3.41Å; S519-D521 PolarHBondContact OG-N 3.48Å; S519-Q525 PolarHBondContact N-O 3.47Å
520	L	81	Confident	86.8	Confident	177 Å²	177	53.6 Å²	53.6	93%	0.927	29%	0.292	S	S	*	.	S	Bend	trans	-66.7	-31.2	176.7	-69.5	170.1	0	0	0	111.6
521	D	80.8	Confident	86.8	Confident	133 Å²	133	51.7 Å²	51.7	71%	0.711	28%	0.278	S	S	*	.	S	Bend	trans	-92.4	-29.2	-172.2	-56.1	-44.3	0	0	0	112.5	S519	S519-D521 PolarHBondContact O-N 3.41Å; S519-D521 PolarHBondContact OG-N 3.48Å
522	H	82.2	Confident	86.7	Confident	97 Å²	97	52.8 Å²	52.8	45%	0.449	28%	0.283	S	S	.	.			trans	-141.5	121.9	-167.8	-66.6	-63.4	0	0	0	112.4	D524 Q525	H522-D524 VanDerWaalsContact C-N 3.28Å; H522-D524 WeakPolarHBondContact CB-OD1 3.27Å; H522-D524 PolarHBondContact O-N 2.84Å; H522-Q525 HydrophobicContact CB-CB 4.1Å; H522-Q525 HydrophobicContact CB-CG 3.9Å; H522-Q525 PolarHBondContact O-N 2.94Å
523	T	82.1	Confident	86	Confident	116 Å²	116	53.4 Å²	53.4	71%	0.712	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.1	-176.2	57.1	0	0	0	0	114.1	L518	L518-T523 VanDerWaalsContact CD2-O 3.32Å; L518-T523 WeakPolarHBondContact CD2-O 3.44Å
524	D	90.2	Very high	85.2	Confident	98 Å²	98	52.4 Å²	52.4	52%	0.524	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5.6	173.7	64.6	-30.4	0	0	0	112.7	L491 H522	L491-D524 VanDerWaalsContact CB-O 3.25Å; L491-D524 WeakPolarHBondContact CB-O 3.35Å; L491-D524 PolarHBondContact N-O 3.07Å; H522-D524 VanDerWaalsContact C-N 3.28Å; H522-D524 WeakPolarHBondContact CB-OD1 3.27Å; H522-D524 PolarHBondContact O-N 2.84Å
525	Q	92.5	Very high	84.2	Confident	57 Å²	57	58.1 Å²	58.1	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153	178.5	-64.3	178.8	-1.2	0	0	111.8	I488 I489 L518 S519 H522	I488-Q525 HydrophobicContact CG2-CB 3.71Å; I488-Q525 HydrophobicContact CG2-CG 4.34Å; I489-Q525 CarbonylContact O-C 3.6Å; I489-Q525 VanDerWaalsContact O-CA 3.29Å; I489-Q525 WeakPolarHBondContact O-CA 3.35Å; L518-Q525 WeakPolarHBondContact CA-O 3.17Å; L518-Q525 WeakPolarHBondContact CD2-O 3.48Å; S519-Q525 PolarHBondContact N-O 3.47Å; H522-Q525 HydrophobicContact CB-CB 4.1Å; H522-Q525 HydrophobicContact CB-CG 3.9Å; H522-Q525 PolarHBondContact O-N 2.94Å
526	V	92.3	Very high	82.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.5	-179.5	-64.7	0	0	0	0	111.5	I488 I489 L491 W494 R512 V516 N517 L518 Y528	I488-V526 WeakPolarHBondContact CA-O 3.37Å; I489-V526 HydrophobicContact CD1-CG2 4.47Å; I489-V526 HydrophobicContact CG1-CG2 3.74Å; I489-V526 PolarHBondContact N-O 2.96Å; I489-V526 VanDerWaalsContact N-O 3.13Å; I489-V526 PolarHBondContact O-N 3.34Å; L491-V526 HydrophobicContact CB-CG1 4.43Å; L491-V526 HydrophobicContact CD1-CG1 3.88Å; W494-V526 HydrophobicContact CB-CG2 3.63Å; W494-V526 HydrophobicContact CG-CG2 3.72Å; R512-V526 HydrophobicContact CG-CG1 4.2Å; V516-V526 HydrophobicContact CG1-CB 4.16Å; V516-V526 HydrophobicContact CG1-CG1 3.84Å; V516-V526 HydrophobicContact CG2-CB 3.98Å; N517-V526 WeakPolarHBondContact O-CA 3.38Å; L518-V526 HydrophobicContact CD2-CG1 4.12Å; V526-Y528 PolarHBondContact O-N 2.76Å
527	A	92.5	Very high	81.5	Confident	30 Å²	30	59.2 Å²	59.2	25%	0.248	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	86.8	169.3	0	0	0	0	0	108.7	G487 V516 N517 N529 S530	G487-A527 WeakPolarHBondContact O-CA 3.45Å; V516-A527 WeakPolarHBondContact CG2-O 3.3Å; N517-A527 PolarHBondContact O-N 3.48Å; A527-N529 VanDerWaalsContact C-N 3.27Å; A527-N529 PolarHBondContact O-N 3.48Å; A527-N529 VanDerWaalsContact O-N 3.17Å; A527-S530 VanDerWaalsContact O-CB 3.3Å; A527-S530 WeakPolarHBondContact O-CB 3.42Å; A527-S530 PolarHBondContact O-N 2.64Å; A527-S530 PolarHBondContact O-OG 2.86Å
528	Y	92.7	Very high	79.8	Confident	8 Å²	8	59 Å²	59	3%	0.031	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-59.3	-34.6	-165.4	58.7	-97.7	0	0	0	113.2	L475 F478 D482 G487 I489 V526 S530 M531	L475-Y528 HydrophobicContact CD2-CD2 4.19Å; L475-Y528 HydrophobicContact CD2-CE2 4.01Å; F478-Y528 HydrophobicContact CB-CD1 4.29Å; F478-Y528 HydrophobicContact CB-CD2 3.96Å; F478-Y528 HydrophobicContact CB-CE1 4.3Å; F478-Y528 HydrophobicContact CB-CE2 4Å; F478-Y528 HydrophobicContact CB-CG 4.12Å; F478-Y528 AromaticContact CD2-CD2 3.73Å; F478-Y528 HydrophobicContact CD2-CD2 3.73Å; F478-Y528 HydrophobicContact CD2-CE2 4.47Å; F478-Y528 AromaticContact CD2-CG 3.98Å; F478-Y528 HydrophobicContact CD2-CG 3.98Å; F478-Y528 HydrophobicContact CG-CD2 4.09Å; F478-Y528 HydrophobicContact CG-CG 4.08Å; D482-Y528 HydrophobicContact CB-CE1 4.12Å; D482-Y528 WeakPolarHBondContact OD2-CE1 3.37Å; D482-Y528 PolarHBondContact OD2-OH 2.75Å; G487-Y528 VanDerWaalsContact O-CD1 3.27Å; G487-Y528 WeakPolarHBondContact O-CD1 3.2Å; G487-Y528 WeakPolarHBondContact O-CE1 3.4Å; G487-Y528 PolarHBondContact O-N 2.63Å; I489-Y528 HydrophobicContact CB-CD1 4.45Å; I489-Y528 HydrophobicContact CD1-CD1 4.25Å; I489-Y528 HydrophobicContact CG1-CD1 4.02Å; I489-Y528 HydrophobicContact CG2-CD1 3.89Å; I489-Y528 HydrophobicContact CG2-CE1 3.94Å; V526-Y528 PolarHBondContact O-N 2.76Å; Y528-S530 PolarHBondContact O-N 3.22Å; Y528-S530 VanDerWaalsContact O-N 3.08Å; Y528-M531 WeakPolarHBondContact O-CE 3.45Å; Y528-M531 WeakPolarHBondContact O-CG 3.43Å; Y528-M531 PolarHBondContact O-N 3.47Å; Y528-M531 VanDerWaalsContact O-N 3.14Å
529	N	89.8	Confident	77.9	Confident	82 Å²	82	59 Å²	59	44%	0.439	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.3	177.3	-75.8	-51.3	0	0	0	113.8	A527 M531 F532	A527-N529 VanDerWaalsContact C-N 3.27Å; A527-N529 PolarHBondContact O-N 3.48Å; A527-N529 VanDerWaalsContact O-N 3.17Å; N529-M531 PolarHBondContact O-N 3.48Å; N529-F532 PolarHBondContact O-N 3.46Å
530	S	87.5	Confident	76	Confident	15 Å²	15	63.5 Å²	63.5	11%	0.105	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-61.1	-27.5	179.4	65.7	0	0	0	0	113.3	V516 N517 A527 Y528 F532 T533	V516-S530 WeakPolarHBondContact CG2-OG 2.97Å; N517-S530 WeakPolarHBondContact CB-OG 3.27Å; N517-S530 PolarHBondContact N-OG 3.43Å; A527-S530 VanDerWaalsContact O-CB 3.3Å; A527-S530 WeakPolarHBondContact O-CB 3.42Å; A527-S530 PolarHBondContact O-N 2.64Å; A527-S530 PolarHBondContact O-OG 2.86Å; Y528-S530 PolarHBondContact O-N 3.22Å; Y528-S530 VanDerWaalsContact O-N 3.08Å; S530-F532 PolarHBondContact O-N 3.32Å; S530-T533 WeakPolarHBondContact O-CB 3.35Å; S530-T533 WeakPolarHBondContact O-CG2 3.18Å; S530-T533 PolarHBondContact O-N 2.99Å; S530-T533 PolarHBondContact O-OG1 3.44Å
531	M	86.4	Confident	74	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-67.1	-26.2	-177.1	84.9	-176.5	88	0	0	113.5	W464 I467 F478 M498 L515 V516 Y528 N529 T533	W464-M531 PolarHBondContact NE1-O 2.99Å; I467-M531 HydrophobicContact CG2-CG 4.47Å; I467-M531 HydrophobicContact CG2-SD 4.13Å; F478-M531 HydrophobicContact CD2-CE 4.33Å; F478-M531 HydrophobicContact CE2-CE 3.39Å; F478-M531 HydrophobicContact CE2-SD 4.3Å; F478-M531 HydrophobicContact CZ-CE 3.68Å; M498-M531 HydrophobicContact CE-SD 4.48Å; M498-M531 HydrophobicContact SD-SD 3.98Å; L515-M531 WeakPolarHBondContact O-CA 3.18Å; L515-M531 WeakPolarHBondContact O-CB 3.23Å; V516-M531 HydrophobicContact CB-CB 4.13Å; V516-M531 HydrophobicContact CG2-CB 4.25Å; V516-M531 HydrophobicContact CG2-CE 4.49Å; Y528-M531 WeakPolarHBondContact O-CE 3.45Å; Y528-M531 WeakPolarHBondContact O-CG 3.43Å; Y528-M531 PolarHBondContact O-N 3.47Å; Y528-M531 VanDerWaalsContact O-N 3.14Å; N529-M531 PolarHBondContact O-N 3.48Å; M531-T533 VanDerWaalsContact C-N 3.29Å; M531-T533 PolarHBondContact O-N 3.18Å
532	F	85.1	Confident	72.1	Confident	23 Å²	23	55.3 Å²	55.3	10%	0.101	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-85.1	-3.3	-178.1	-55.6	-64	0	0	0	113.2	I467 I468 K471 L474 L475 F478 N529 S530 G534	I467-F532 HydrophobicContact CG2-CD1 4.4Å; I467-F532 HydrophobicContact CG2-CE1 3.93Å; I468-F532 HydrophobicContact CD1-CB 4.25Å; I468-F532 HydrophobicContact CD1-CD1 3.91Å; K471-F532 HydrophobicContact CB-CD1 4.25Å; K471-F532 HydrophobicContact CB-CE1 3.95Å; K471-F532 HydrophobicContact CD-CD1 4.08Å; K471-F532 HydrophobicContact CD-CE1 4.49Å; K471-F532 HydrophobicContact CD-CG 4.25Å; K471-F532 HydrophobicContact CG-CD1 3.86Å; K471-F532 HydrophobicContact CG-CE1 3.76Å; K471-F532 HydrophobicContact CG-CG 4.26Å; K471-F532 HydrophobicContact CG-CZ 4.1Å; L474-F532 HydrophobicContact CB-CZ 4.11Å; L474-F532 HydrophobicContact CD1-CE1 4.08Å; L474-F532 HydrophobicContact CD1-CZ 4.16Å; L475-F532 HydrophobicContact CD2-CD2 4.37Å; L475-F532 HydrophobicContact CD2-CE2 3.7Å; L475-F532 HydrophobicContact CD2-CZ 4.46Å; L475-F532 HydrophobicContact CG-CE2 4.03Å; L475-F532 HydrophobicContact CG-CZ 4.37Å; F478-F532 HydrophobicContact CE2-CZ 4.4Å; N529-F532 PolarHBondContact O-N 3.46Å; S530-F532 PolarHBondContact O-N 3.32Å; F532-G534 VanDerWaalsContact C-N 3.31Å
533	T	75.4	Confident	69.9	Low	74 Å²	74	53.4 Å²	53.4	45%	0.454	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-76.7	-17.9	179.2	65.3	0	0	0	0	113.2	S530 M531 N535	S530-T533 WeakPolarHBondContact O-CB 3.35Å; S530-T533 WeakPolarHBondContact O-CG2 3.18Å; S530-T533 PolarHBondContact O-N 2.99Å; S530-T533 PolarHBondContact O-OG1 3.44Å; M531-T533 VanDerWaalsContact C-N 3.29Å; M531-T533 PolarHBondContact O-N 3.18Å; T533-N535 PolarHBondContact O-N 3.09Å; T533-N535 VanDerWaalsContact O-N 3.12Å; T533-N535 PolarHBondContact OG1-N 3.3Å
534	G	64.3	Low	67.8	Low	16 Å²	16	53 Å²	53	17%	0.165	30%	0.298	C	S	.	.	S	Bend	trans	75.1	-14.6	-174.1	0	0	0	0	0	114.4	F532 C536 V537	F532-G534 VanDerWaalsContact C-N 3.31Å; G534-C536 PolarHBondContact O-N 2.91Å; G534-V537 WeakPolarHBondContact O-CB 3.35Å; G534-V537 WeakPolarHBondContact O-CG2 3.11Å; G534-V537 PolarHBondContact O-N 3.34Å
535	N	60.5	Low	65.7	Low	125 Å²	125	51.6 Å²	51.6	67%	0.668	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.4	-177.8	-68.8	-24.2	0	0	0	113.9	T533	T533-N535 PolarHBondContact O-N 3.09Å; T533-N535 VanDerWaalsContact O-N 3.12Å; T533-N535 PolarHBondContact OG1-N 3.3Å
536	C	57.1	Low	63.4	Low	24 Å²	24	53.2 Å²	53.2	16%	0.162	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.9	-179.6	-53.4	0	0	0	0	113.1	F514 G534	F514-C536 CarbonylContact O-C 3.09Å; F514-C536 WeakPolarHBondContact O-CB 3.25Å; G534-C536 PolarHBondContact O-N 2.91Å
537	V	58.8	Low	61.6	Low	4 Å²	4	54.7 Å²	54.7	2%	0.024	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-53.9	-171	-177.7	0	0	0	0	110.8	R38 F460 V461 W464 G534	R38-V537 PolarHBondContact NH2-O 2.9Å; F460-V537 VanDerWaalsContact C-CG1 3.49Å; F460-V537 HydrophobicContact CB-CG1 4.05Å; F460-V537 WeakPolarHBondContact O-CG1 3.25Å; V461-V537 VanDerWaalsContact CA-CG1 3.5Å; V461-V537 HydrophobicContact CB-CG1 4.15Å; V461-V537 HydrophobicContact CG2-CG1 3.57Å; W464-V537 HydrophobicContact CB-CB 4.42Å; W464-V537 HydrophobicContact CB-CG1 4.1Å; W464-V537 HydrophobicContact CB-CG2 3.41Å; W464-V537 VanDerWaalsContact CB-CG2 3.41Å; W464-V537 VanDerWaalsContact CD1-CG2 3.41Å; W464-V537 HydrophobicContact CD2-CG2 3.8Å; W464-V537 HydrophobicContact CG-CG2 3.23Å; G534-V537 WeakPolarHBondContact O-CB 3.35Å; G534-V537 WeakPolarHBondContact O-CG2 3.11Å; G534-V537 PolarHBondContact O-N 3.34Å
538	M	52.1	Low	59.7	Low	86 Å²	86	53.9 Å²	53.9	42%	0.424	30%	0.301	S	S	.	.	S	Bend	trans	-83.1	114.2	172.8	-62.7	-60.6	-75.2	0	0	106.8	N457 V461 P540	N457-M538 HydrophobicContact CB-SD 4.43Å; V461-M538 HydrophobicContact CG2-SD 3.93Å; M538-P540 WeakPolarHBondContact O-CD 3.04Å; M538-P540 VanDerWaalsContact O-N 3.12Å
539	H	47	Very low	57.7	Low	58 Å²	58	55.5 Å²	55.5	27%	0.269	32%	0.316	S	S	.	.			trans	-69.4	109.6	166.5	-168.5	-69.5	0	0	0	106.3	D541 I542	H539-D541 PolarHBondContact CE1-O 3.37Å; H539-D541 PolarHBondContact ND1-N 3.32Å; H539-D541 PolarHBondContact ND1-O 2.85Å; H539-D541 PolarHBondContact O-N 3.3Å; H539-I542 HydrophobicContact CB-CD1 4.03Å; H539-I542 HydrophobicContact CB-CG1 3.92Å; H539-I542 VanDerWaalsContact ND1-CG1 3.35Å; H539-I542 WeakPolarHBondContact ND1-CG1 3.42Å; H539-I542 PolarHBondContact ND1-N 2.96Å
540	P	45	Very low	56.1	Low	108 Å²	108	55.7 Å²	55.7	70%	0.701	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25	-167.9	22.8	-31.2	0	0	0	111.9	M538	M538-P540 WeakPolarHBondContact O-CD 3.04Å; M538-P540 VanDerWaalsContact O-N 3.12Å
541	D	39.8	Very low	54.8	Low	108 Å²	108	57 Å²	57	58%	0.578	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.8	72.3	-179.3	-68.1	-59.6	0	0	0	111.8	H539 P543	H539-D541 PolarHBondContact CE1-O 3.37Å; H539-D541 PolarHBondContact ND1-N 3.32Å; H539-D541 PolarHBondContact ND1-O 2.85Å; H539-D541 PolarHBondContact O-N 3.3Å; D541-P543 VanDerWaalsContact C-N 3.31Å; D541-P543 WeakPolarHBondContact O-CD 3.38Å
542	I	40.9	Very low	53.7	Low	30 Å²	30	57.3 Å²	57.3	15%	0.154	32%	0.323	C	S	.	.			trans	-100.6	64.4	141.4	-41.1	167	0	0	0	105.6	L35 N453 H539 N544	L35-I542 HydrophobicContact CD2-CD1 3.65Å; L35-I542 HydrophobicContact CD2-CG1 4.4Å; L35-I542 HydrophobicContact CD2-CG2 4.07Å; N453-I542 VanDerWaalsContact ND2-CG2 3.33Å; N453-I542 WeakPolarHBondContact ND2-CG2 3.49Å; H539-I542 HydrophobicContact CB-CD1 4.03Å; H539-I542 HydrophobicContact CB-CG1 3.92Å; H539-I542 VanDerWaalsContact ND1-CG1 3.35Å; H539-I542 WeakPolarHBondContact ND1-CG1 3.42Å; H539-I542 PolarHBondContact ND1-N 2.96Å; I542-N544 PolarHBondContact O-N 3.47Å
543	P	36.8	Very low	52.5	Low	57 Å²	57	60 Å²	60	37%	0.37	34%	0.335	S	S	.	.			trans	-54.2	137.7	156.9	31.4	-31.3	0	0	0	102.6	D541 E545	D541-P543 VanDerWaalsContact C-N 3.31Å; D541-P543 WeakPolarHBondContact O-CD 3.38Å; P543-E545 HydrophobicContact CG-CG 4.03Å; P543-E545 VanDerWaalsContact O-CA 3.27Å; P543-E545 WeakPolarHBondContact O-CA 3.46Å; P543-E545 WeakPolarHBondContact O-CB 3.44Å; P543-E545 WeakPolarHBondContact O-CG 3.46Å; P543-E545 PolarHBondContact O-N 3.33Å
544	N	37.7	Very low	51.9	Low	106 Å²	106	62.3 Å²	62.3	57%	0.567	34%	0.34	S	S	*	.			trans	-41.2	87.5	173.6	-157.9	-0.9	0	0	0	107.9	I542 N546 S547	I542-N544 PolarHBondContact O-N 3.47Å; N544-N546 PolarHBondContact O-N 2.89Å; N544-S547 VanDerWaalsContact O-CA 3.27Å; N544-S547 WeakPolarHBondContact O-CA 3.25Å; N544-S547 WeakPolarHBondContact O-CB 3.27Å; N544-S547 PolarHBondContact O-N 2.92Å; N544-S547 PolarHBondContact O-OG 3.19Å
545	E	44.9	Very low	52.1	Low	69 Å²	69	61.6 Å²	61.6	32%	0.322	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.7	-160.3	-103	-166	175.5	0	0	109.9	P543 S547 L548 A549	P543-E545 HydrophobicContact CG-CG 4.03Å; P543-E545 VanDerWaalsContact O-CA 3.27Å; P543-E545 WeakPolarHBondContact O-CA 3.46Å; P543-E545 WeakPolarHBondContact O-CB 3.44Å; P543-E545 WeakPolarHBondContact O-CG 3.46Å; P543-E545 PolarHBondContact O-N 3.33Å; E545-S547 PolarHBondContact O-N 3.16Å; E545-L548 PolarHBondContact O-N 3.4Å; E545-A549 PolarHBondContact O-N 3.03Å
546	N	45.8	Very low	52.3	Low	91 Å²	91	57.9 Å²	57.9	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-51.9	-27.8	153.5	-70.8	-18.5	0	0	0	111.3	N544 A549 N550	N544-N546 PolarHBondContact O-N 2.89Å; N546-A549 PolarHBondContact O-N 2.88Å; N546-N550 WeakPolarHBondContact O-CB 3.07Å; N546-N550 PolarHBondContact O-N 3.26Å; N546-N550 PolarHBondContact O-ND2 3.48Å; N546-N550 VanDerWaalsContact O-ND2 3.13Å
547	S	54.4	Low	52.8	Low	31 Å²	31	60.4 Å²	60.4	22%	0.217	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-37	171.5	76.4	0	0	0	0	112.4	N544 E545 N550 E551	N544-S547 VanDerWaalsContact O-CA 3.27Å; N544-S547 WeakPolarHBondContact O-CA 3.25Å; N544-S547 WeakPolarHBondContact O-CB 3.27Å; N544-S547 PolarHBondContact O-N 2.92Å; N544-S547 PolarHBondContact O-OG 3.19Å; E545-S547 PolarHBondContact O-N 3.16Å; S547-N550 CarbonylContact O-C 3.58Å; S547-N550 PolarHBondContact O-N 2.99Å; S547-E551 WeakPolarHBondContact O-CA 3.41Å; S547-E551 WeakPolarHBondContact O-CB 3.41Å; S547-E551 WeakPolarHBondContact O-CG 3.41Å; S547-E551 PolarHBondContact O-N 3.46Å
548	L	52.5	Low	53.2	Low	14 Å²	14	63.4 Å²	63.4	7%	0.073	34%	0.341	C	S	.	.	H	α-helix	trans	-66.5	-45	177.2	-178.3	61.5	0	0	0	109.6	E545 N550 E551 I552 V597 K600 L604	E545-L548 PolarHBondContact O-N 3.4Å; L548-N550 PolarHBondContact O-N 3.26Å; L548-E551 PolarHBondContact O-N 3.36Å; L548-I552 HydrophobicContact CD1-CD1 3.81Å; L548-I552 HydrophobicContact CD1-CG1 4.13Å; L548-I552 HydrophobicContact CD2-CD1 4.43Å; L548-I552 HydrophobicContact CG-CD1 3.67Å; L548-I552 HydrophobicContact CG-CG1 4.41Å; L548-I552 VanDerWaalsContact O-CB 3.25Å; L548-I552 WeakPolarHBondContact O-CB 3.3Å; L548-I552 VanDerWaalsContact O-CD1 3.27Å; L548-I552 WeakPolarHBondContact O-CD1 3.49Å; L548-I552 WeakPolarHBondContact O-CG1 3.25Å; L548-I552 PolarHBondContact O-N 3.43Å; L548-V597 HydrophobicContact CD1-CB 4.43Å; L548-V597 HydrophobicContact CD1-CG1 3.95Å; L548-V597 HydrophobicContact CD1-CG2 4.34Å; L548-K600 HydrophobicContact CD1-CB 3.98Å; L548-K600 HydrophobicContact CD1-CD 3.88Å; L548-K600 HydrophobicContact CD2-CB 4.12Å; L548-L604 HydrophobicContact CD2-CD1 3.48Å; L548-L604 VanDerWaalsContact CD2-CD1 3.48Å
549	A	51.1	Low	54	Low	42 Å²	42	59.7 Å²	59.7	35%	0.347	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-41.2	174.6	0	0	0	0	0	112.5	E545 N546 F553	E545-A549 PolarHBondContact O-N 3.03Å; N546-A549 PolarHBondContact O-N 2.88Å; A549-F553 VanDerWaalsContact O-CB 3.3Å; A549-F553 WeakPolarHBondContact O-CB 3.37Å; A549-F553 PolarHBondContact O-N 3.28Å
550	N	54.9	Low	54.9	Low	85 Å²	85	60.3 Å²	60.3	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-71.5	-40.6	177.7	-70.5	-23.5	0	0	0	112.3	N546 S547 L548 F553 E554	N546-N550 WeakPolarHBondContact O-CB 3.07Å; N546-N550 PolarHBondContact O-N 3.26Å; N546-N550 PolarHBondContact O-ND2 3.48Å; N546-N550 VanDerWaalsContact O-ND2 3.13Å; S547-N550 CarbonylContact O-C 3.58Å; S547-N550 PolarHBondContact O-N 2.99Å; L548-N550 PolarHBondContact O-N 3.26Å; N550-F553 CarbonylContact O-C 3.54Å; N550-F553 WeakPolarHBondContact O-CB 3.24Å; N550-F553 PolarHBondContact O-N 2.84Å; N550-E554 WeakPolarHBondContact O-CB 3.49Å; N550-E554 WeakPolarHBondContact O-CG 3.42Å; N550-E554 PolarHBondContact O-N 3.41Å
551	E	61.7	Low	56	Low	44 Å²	44	59.4 Å²	59.4	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-44.6	176.3	-79.8	174.7	178.1	0	0	109.2	S547 L548 F553 E554 L555 V597 K600	S547-E551 WeakPolarHBondContact O-CA 3.41Å; S547-E551 WeakPolarHBondContact O-CB 3.41Å; S547-E551 WeakPolarHBondContact O-CG 3.41Å; S547-E551 PolarHBondContact O-N 3.46Å; L548-E551 PolarHBondContact O-N 3.36Å; E551-F553 VanDerWaalsContact C-N 3.3Å; E551-F553 PolarHBondContact O-N 3.36Å; E551-E554 PolarHBondContact O-N 2.74Å; E551-L555 WeakPolarHBondContact O-CB 3.31Å; E551-L555 WeakPolarHBondContact O-CG 3.33Å; E551-L555 PolarHBondContact O-N 3Å; E551-V597 HydrophobicContact CB-CG2 3.98Å; E551-V597 WeakPolarHBondContact OE2-CG2 3.43Å; E551-K600 IonicContact OE2-NZ 3.16Å; E551-K600 PolarHBondContact OE2-NZ 2.95Å
552	I	62	Low	57.3	Low	8 Å²	8	55.5 Å²	55.5	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-42.6	173.5	-70.8	164.2	0	0	0	110.6	L548 L555 Q556 V597 L601 F618 F622	L548-I552 HydrophobicContact CD1-CD1 3.81Å; L548-I552 HydrophobicContact CD1-CG1 4.13Å; L548-I552 HydrophobicContact CD2-CD1 4.43Å; L548-I552 HydrophobicContact CG-CD1 3.67Å; L548-I552 HydrophobicContact CG-CG1 4.41Å; L548-I552 VanDerWaalsContact O-CB 3.25Å; L548-I552 WeakPolarHBondContact O-CB 3.3Å; L548-I552 VanDerWaalsContact O-CD1 3.27Å; L548-I552 WeakPolarHBondContact O-CD1 3.49Å; L548-I552 WeakPolarHBondContact O-CG1 3.25Å; L548-I552 PolarHBondContact O-N 3.43Å; I552-L555 PolarHBondContact O-N 2.88Å; I552-Q556 PolarHBondContact O-N 3.43Å; I552-V597 HydrophobicContact CD1-CG1 4.16Å; I552-V597 HydrophobicContact CG1-CG1 3.32Å; I552-L601 HydrophobicContact CD1-CD1 3.4Å; I552-L601 HydrophobicContact CG1-CD1 4.47Å; I552-F618 HydrophobicContact CD1-CZ 4.1Å; I552-F618 HydrophobicContact CG2-CE1 3.41Å; I552-F618 VanDerWaalsContact CG2-CE1 3.41Å; I552-F618 HydrophobicContact CG2-CZ 3.66Å; I552-F622 HydrophobicContact CB-CZ 4.2Å; I552-F622 HydrophobicContact CG2-CE1 4.25Å; I552-F622 HydrophobicContact CG2-CE2 3.74Å; I552-F622 HydrophobicContact CG2-CZ 3.4Å
553	F	59.6	Low	58.3	Low	81 Å²	81	54.4 Å²	54.4	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-44.3	177.1	-175.2	-97.8	0	0	0	112.1	A549 N550 E551 L555 Q556 F622	A549-F553 VanDerWaalsContact O-CB 3.3Å; A549-F553 WeakPolarHBondContact O-CB 3.37Å; A549-F553 PolarHBondContact O-N 3.28Å; N550-F553 CarbonylContact O-C 3.54Å; N550-F553 WeakPolarHBondContact O-CB 3.24Å; N550-F553 PolarHBondContact O-N 2.84Å; E551-F553 VanDerWaalsContact C-N 3.3Å; E551-F553 PolarHBondContact O-N 3.36Å; F553-L555 VanDerWaalsContact C-N 3.33Å; F553-L555 PolarHBondContact O-N 3.45Å; F553-Q556 VanDerWaalsContact O-CB 3.31Å; F553-Q556 WeakPolarHBondContact O-CB 3.14Å; F553-Q556 PolarHBondContact O-N 3.31Å; F553-F622 HydrophobicContact CB-CD1 4.31Å; F553-F622 HydrophobicContact CB-CE1 4.39Å; F553-F622 HydrophobicContact CD2-CB 4.11Å; F553-F622 AromaticContact CD2-CD1 3.8Å; F553-F622 HydrophobicContact CD2-CD1 3.8Å; F553-F622 HydrophobicContact CD2-CG 4.24Å; F553-F622 HydrophobicContact CE2-CB 4.39Å
554	E	63.3	Low	59.6	Low	121 Å²	121	58 Å²	58	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-64.2	-37.1	175.2	-78.3	-171.8	174.4	0	0	112.3	N550 E551 Q556 P557 R593	N550-E554 WeakPolarHBondContact O-CB 3.49Å; N550-E554 WeakPolarHBondContact O-CG 3.42Å; N550-E554 PolarHBondContact O-N 3.41Å; E551-E554 PolarHBondContact O-N 2.74Å; E554-Q556 VanDerWaalsContact C-N 3.33Å; E554-P557 WeakPolarHBondContact O-CD 3.2Å; E554-R593 IonicContact OE2-NH2 3.79Å
555	L	68.5	Low	61	Low	2 Å²	2	56.5 Å²	56.5	1%	0.01	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1	-178.7	-65.2	172.8	0	0	0	113.2	E551 I552 F553 P557 H558 L559 R593 L594 V597	E551-L555 WeakPolarHBondContact O-CB 3.31Å; E551-L555 WeakPolarHBondContact O-CG 3.33Å; E551-L555 PolarHBondContact O-N 3Å; I552-L555 PolarHBondContact O-N 2.88Å; F553-L555 VanDerWaalsContact C-N 3.33Å; F553-L555 PolarHBondContact O-N 3.45Å; L555-P557 VanDerWaalsContact C-CD 3.43Å; L555-P557 VanDerWaalsContact C-N 3.34Å; L555-H558 PolarHBondContact O-N 3.38Å; L555-L559 PolarHBondContact O-N 2.93Å; L555-R593 HydrophobicContact CD1-CB 4.27Å; L555-R593 HydrophobicContact CD2-CB 4.45Å; L555-L594 HydrophobicContact CB-CD1 3.96Å; L555-L594 HydrophobicContact CD1-CD1 4.22Å; L555-L594 HydrophobicContact CD2-CD1 4.2Å; L555-L594 HydrophobicContact CG-CD1 4.35Å; L555-V597 HydrophobicContact CD1-CB 4.23Å; L555-V597 HydrophobicContact CD1-CG2 3.74Å
556	Q	65.4	Low	62	Low	46 Å²	46	54.9 Å²	54.9	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-49.2	-46.3	179.5	167.8	176.1	9.3	0	0	113.3	I552 F553 E554 H558 L559 L560 L619	I552-Q556 PolarHBondContact O-N 3.43Å; F553-Q556 VanDerWaalsContact O-CB 3.31Å; F553-Q556 WeakPolarHBondContact O-CB 3.14Å; F553-Q556 PolarHBondContact O-N 3.31Å; E554-Q556 VanDerWaalsContact C-N 3.33Å; Q556-H558 PolarHBondContact O-N 2.82Å; Q556-L559 PolarHBondContact O-N 3.28Å; Q556-L560 PolarHBondContact O-N 3.39Å; Q556-L560 VanDerWaalsContact O-N 3.13Å; Q556-L619 HydrophobicContact CB-CD2 4.24Å; Q556-L619 HydrophobicContact CG-CD1 4.46Å; Q556-L619 HydrophobicContact CG-CD2 3.75Å
557	P	66	Low	63.1	Low	77 Å²	77	58.9 Å²	58.9	50%	0.5	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-42.6	178.5	-19.8	32.4	0	0	0	111.9	E554 L555 L560 T561	E554-P557 WeakPolarHBondContact O-CD 3.2Å; L555-P557 VanDerWaalsContact C-CD 3.43Å; L555-P557 VanDerWaalsContact C-N 3.34Å; P557-L560 WeakPolarHBondContact O-CB 3.28Å; P557-L560 PolarHBondContact O-N 3.18Å; P557-T561 PolarHBondContact O-N 3Å; P557-T561 PolarHBondContact O-OG1 3.12Å; P557-T561 VanDerWaalsContact O-OG1 3.09Å
558	H	68.8	Low	63.8	Low	67 Å²	67	59 Å²	59	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-39.5	-179.3	-57.4	128.9	0	0	0	112.4	L555 Q556 T561 I562 L594	L555-H558 PolarHBondContact O-N 3.38Å; Q556-H558 PolarHBondContact O-N 2.82Å; H558-T561 PolarHBondContact O-N 3.2Å; H558-I562 WeakPolarHBondContact O-CG1 3.44Å; H558-I562 PolarHBondContact O-N 3.33Å; H558-L594 HydrophobicContact CB-CD1 3.77Å
559	L	67.7	Low	64.5	Low	9 Å²	9	65.6 Å²	65.6	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-53.4	-55.5	170.1	-86.2	154.6	0	0	0	108.9	L555 Q556 T561 I562 F563 L594	L555-L559 PolarHBondContact O-N 2.93Å; Q556-L559 PolarHBondContact O-N 3.28Å; L559-T561 VanDerWaalsContact C-N 3.3Å; L559-T561 PolarHBondContact O-N 3.12Å; L559-I562 PolarHBondContact O-N 3.48Å; L559-F563 HydrophobicContact CB-CD2 4.38Å; L559-F563 HydrophobicContact CD2-CD2 4.17Å; L559-F563 HydrophobicContact CD2-CE2 3.62Å; L559-F563 WeakPolarHBondContact O-CB 3.48Å; L559-F563 WeakPolarHBondContact O-CD2 3.33Å; L559-F563 PolarHBondContact O-N 3.38Å; L559-L594 HydrophobicContact CD2-CD2 3.66Å; L559-L594 HydrophobicContact CD2-CG 4.26Å; L559-L594 HydrophobicContact CG-CD1 4.15Å; L559-L594 HydrophobicContact CG-CD2 3.9Å; L559-L594 HydrophobicContact CG-CG 4.17Å
560	L	66.9	Low	65.2	Low	71 Å²	71	66 Å²	66	37%	0.372	34%	0.343	S	S	.	.	H	α-helix	trans	-54	-46.3	-179.2	-135.8	93.6	0	0	0	112.4	Q556 P557 F563 Q564 L619	Q556-L560 PolarHBondContact O-N 3.39Å; Q556-L560 VanDerWaalsContact O-N 3.13Å; P557-L560 WeakPolarHBondContact O-CB 3.28Å; P557-L560 PolarHBondContact O-N 3.18Å; L560-F563 PolarHBondContact O-N 3.49Å; L560-Q564 VanDerWaalsContact O-CG 3.31Å; L560-Q564 WeakPolarHBondContact O-CG 3.28Å; L560-Q564 PolarHBondContact O-N 2.95Å; L560-L619 HydrophobicContact CD1-CD1 3.28Å
561	T	67.3	Low	65.9	Low	88 Å²	88	65.8 Å²	65.8	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-48.2	180	-54.8	0	0	0	0	112.3	P557 H558 L559 F563 Q564 A565	P557-T561 PolarHBondContact O-N 3Å; P557-T561 PolarHBondContact O-OG1 3.12Å; P557-T561 VanDerWaalsContact O-OG1 3.09Å; H558-T561 PolarHBondContact O-N 3.2Å; L559-T561 VanDerWaalsContact C-N 3.3Å; L559-T561 PolarHBondContact O-N 3.12Å; T561-F563 VanDerWaalsContact C-N 3.27Å; T561-F563 PolarHBondContact O-N 3.45Å; T561-Q564 PolarHBondContact O-N 3.49Å; T561-A565 WeakPolarHBondContact O-CB 3.41Å; T561-A565 PolarHBondContact O-N 3.21Å
562	I	66.8	Low	66.6	Low	27 Å²	27	68 Å²	68	14%	0.138	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-40.6	179.1	-74.7	162.9	0	0	0	110.3	H558 L559 A565 C566 L578 L582 I591 L594	H558-I562 WeakPolarHBondContact O-CG1 3.44Å; H558-I562 PolarHBondContact O-N 3.33Å; L559-I562 PolarHBondContact O-N 3.48Å; I562-A565 PolarHBondContact O-N 3.44Å; I562-C566 WeakPolarHBondContact O-CB 3.28Å; I562-C566 PolarHBondContact O-N 3.38Å; I562-C566 PolarHBondContact O-SG 3.27Å; I562-C566 VanDerWaalsContact O-SG 3.32Å; I562-L578 HydrophobicContact CG2-CD1 4.27Å; I562-L582 HydrophobicContact CD1-CD2 3.87Å; I562-L582 HydrophobicContact CG2-CD2 4.06Å; I562-I591 HydrophobicContact CD1-CG1 4.28Å; I562-L594 HydrophobicContact CD1-CD1 4.23Å; I562-L594 HydrophobicContact CD1-CD2 3.56Å; I562-L594 HydrophobicContact CD1-CG 4.32Å
563	F	63	Low	67.4	Low	6 Å²	6	67.6 Å²	67.6	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-42.7	179.5	-87.5	-71.9	0	0	0	112.9	L559 L560 T561 H567 F568 V573 L578 L615	L559-F563 HydrophobicContact CB-CD2 4.38Å; L559-F563 HydrophobicContact CD2-CD2 4.17Å; L559-F563 HydrophobicContact CD2-CE2 3.62Å; L559-F563 WeakPolarHBondContact O-CB 3.48Å; L559-F563 WeakPolarHBondContact O-CD2 3.33Å; L559-F563 PolarHBondContact O-N 3.38Å; L560-F563 PolarHBondContact O-N 3.49Å; T561-F563 VanDerWaalsContact C-N 3.27Å; T561-F563 PolarHBondContact O-N 3.45Å; F563-H567 PolarHBondContact O-N 2.92Å; F563-F568 HydrophobicContact CD1-CB 3.65Å; F563-F568 AromaticContact CD1-CD2 3.72Å; F563-F568 HydrophobicContact CD1-CD2 3.72Å; F563-F568 HydrophobicContact CD1-CG 4.01Å; F563-F568 HydrophobicContact CE1-CB 4.1Å; F563-F568 AromaticContact CE1-CD2 3.88Å; F563-F568 HydrophobicContact CE1-CD2 3.88Å; F563-F568 HydrophobicContact CE1-CG 4.14Å; F563-F568 PolarHBondContact O-N 3.08Å; F563-V573 HydrophobicContact CD1-CG2 3.99Å; F563-V573 HydrophobicContact CE1-CB 3.94Å; F563-V573 HydrophobicContact CE1-CG1 3.38Å; F563-V573 HydrophobicContact CE1-CG2 3.33Å; F563-V573 HydrophobicContact CZ-CB 4.37Å; F563-V573 HydrophobicContact CZ-CG1 3.72Å; F563-V573 HydrophobicContact CZ-CG2 4.03Å; F563-L578 HydrophobicContact CE1-CD1 3.92Å; F563-L578 HydrophobicContact CE1-CD2 4.18Å; F563-L578 HydrophobicContact CE2-CD1 4.23Å; F563-L578 HydrophobicContact CE2-CD2 3.78Å; F563-L578 HydrophobicContact CZ-CD1 3.79Å; F563-L578 HydrophobicContact CZ-CD2 3.32Å; F563-L578 HydrophobicContact CZ-CG 4.13Å; F563-L615 HydrophobicContact CB-CD2 3.97Å; F563-L615 HydrophobicContact CD1-CD2 4.09Å; F563-L615 HydrophobicContact CD2-CD1 4.26Å; F563-L615 HydrophobicContact CD2-CD2 3.2Å; F563-L615 HydrophobicContact CD2-CG 4.31Å; F563-L615 HydrophobicContact CE1-CD2 4.45Å; F563-L615 HydrophobicContact CE2-CD1 3.85Å; F563-L615 HydrophobicContact CE2-CD2 3.58Å; F563-L615 HydrophobicContact CE2-CG 4.26Å; F563-L615 HydrophobicContact CG-CD2 3.48Å; F563-L615 VanDerWaalsContact CG-CD2 3.48Å; F563-L615 HydrophobicContact CZ-CD1 4.43Å; F563-L615 HydrophobicContact CZ-CD2 4.17Å
564	Q	64.1	Low	68.5	Low	133 Å²	133	65.6 Å²	65.6	62%	0.621	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-45.3	173.1	-73.7	173.8	-11.4	0	0	111.7	L560 T561 C566 H567	L560-Q564 VanDerWaalsContact O-CG 3.31Å; L560-Q564 WeakPolarHBondContact O-CG 3.28Å; L560-Q564 PolarHBondContact O-N 2.95Å; T561-Q564 PolarHBondContact O-N 3.49Å; Q564-C566 PolarHBondContact O-N 3.34Å; Q564-H567 PolarHBondContact O-N 3.13Å
565	A	65.9	Low	69.5	Low	74 Å²	74	59.9 Å²	59.9	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-66.7	-35.1	179.8	0	0	0	0	0	113	T561 I562 H567	T561-A565 WeakPolarHBondContact O-CB 3.41Å; T561-A565 PolarHBondContact O-N 3.21Å; I562-A565 PolarHBondContact O-N 3.44Å; A565-H567 VanDerWaalsContact C-N 3.29Å; A565-H567 PolarHBondContact O-N 3.02Å
566	C	67.4	Low	70.3	Confident	35 Å²	35	65.2 Å²	65.2	24%	0.236	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.7	-177	-74.6	0	0	0	0	114.3	I562 Q564 F568 K581	I562-C566 WeakPolarHBondContact O-CB 3.28Å; I562-C566 PolarHBondContact O-N 3.38Å; I562-C566 PolarHBondContact O-SG 3.27Å; I562-C566 VanDerWaalsContact O-SG 3.32Å; Q564-C566 PolarHBondContact O-N 3.34Å; C566-F568 HydrophobicContact CB-CD2 3.33Å; C566-F568 HydrophobicContact CB-CE2 3.43Å; C566-F568 VanDerWaalsContact CB-CE2 3.43Å; C566-F568 HydrophobicContact CB-CG 4.32Å; C566-F568 HydrophobicContact CB-CZ 4.48Å; C566-F568 PolarHBondContact O-N 3.13Å; C566-F568 VanDerWaalsContact O-N 3.12Å; C566-K581 HydrophobicContact CB-CD 3.97Å; C566-K581 PolarHBondContact O-NZ 3.16Å
567	H	68.1	Low	71.2	Confident	176 Å²	176	65.6 Å²	65.6	82%	0.815	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	30.4	-176.6	-58.5	-63.6	0	0	0	114.5	F563 Q564 A565	F563-H567 PolarHBondContact O-N 2.92Å; Q564-H567 PolarHBondContact O-N 3.13Å; A565-H567 VanDerWaalsContact C-N 3.29Å; A565-H567 PolarHBondContact O-N 3.02Å
568	F	68.2	Low	72	Confident	34 Å²	34	62 Å²	62	15%	0.149	32%	0.324	C	S	.	.			trans	-73.2	141.7	173.1	-75.7	-62.7	0	0	0	109.5	F563 C566 P570 V573 L578 K581	F563-F568 HydrophobicContact CD1-CB 3.65Å; F563-F568 AromaticContact CD1-CD2 3.72Å; F563-F568 HydrophobicContact CD1-CD2 3.72Å; F563-F568 HydrophobicContact CD1-CG 4.01Å; F563-F568 HydrophobicContact CE1-CB 4.1Å; F563-F568 AromaticContact CE1-CD2 3.88Å; F563-F568 HydrophobicContact CE1-CD2 3.88Å; F563-F568 HydrophobicContact CE1-CG 4.14Å; F563-F568 PolarHBondContact O-N 3.08Å; C566-F568 HydrophobicContact CB-CD2 3.33Å; C566-F568 HydrophobicContact CB-CE2 3.43Å; C566-F568 VanDerWaalsContact CB-CE2 3.43Å; C566-F568 HydrophobicContact CB-CG 4.32Å; C566-F568 HydrophobicContact CB-CZ 4.48Å; C566-F568 PolarHBondContact O-N 3.13Å; C566-F568 VanDerWaalsContact O-N 3.12Å; F568-P570 VanDerWaalsContact O-CD 3.31Å; F568-P570 WeakPolarHBondContact O-CD 3.47Å; F568-V573 HydrophobicContact CB-CG2 4.36Å; F568-L578 HydrophobicContact CD2-CD1 4.28Å; F568-L578 HydrophobicContact CE2-CD1 3.72Å; F568-L578 HydrophobicContact CZ-CD1 4.44Å; F568-K581 HydrophobicContact CE1-CD 4.49Å; F568-K581 HydrophobicContact CE2-CD 3.64Å; F568-K581 HydrophobicContact CZ-CD 3.48Å; F568-K581 VanDerWaalsContact CZ-CD 3.48Å; F568-K581 HydrophobicContact CZ-CG 4.26Å; F568-K581 VanDerWaalsContact CZ-NZ 3.28Å
569	K	68.9	Low	72.7	Confident	152 Å²	152	59.6 Å²	59.6	66%	0.661	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-72.6	115	168.7	-68.7	-174.4	179	179.8	0	107.4	N571 N572 V573	K569-N571 WeakPolarHBondContact CB-OD1 3.44Å; K569-N571 PolarHBondContact O-N 3.33Å; K569-N571 VanDerWaalsContact O-N 3.09Å; K569-N572 CarbonylContact O-C 3.3Å; K569-N572 VanDerWaalsContact O-C 3.3Å; K569-N572 PolarHBondContact O-N 3.5Å; K569-N572 VanDerWaalsContact O-O 3.13Å; K569-V573 WeakPolarHBondContact O-CG2 3.33Å
570	P	64.2	Low	73.6	Confident	50 Å²	50	61.7 Å²	61.7	33%	0.325	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.3	-170.9	22.2	-29.1	0	0	0	113.1	F568 L615 D616	F568-P570 VanDerWaalsContact O-CD 3.31Å; F568-P570 WeakPolarHBondContact O-CD 3.47Å; P570-L615 WeakPolarHBondContact O-CA 3.23Å; P570-L615 WeakPolarHBondContact O-CB 3.45Å; P570-L615 PolarHBondContact O-N 2.81Å; P570-D616 WeakPolarHBondContact CB-OD2 3.4Å; P570-D616 WeakPolarHBondContact CG-OD2 3.34Å; P570-D616 PolarHBondContact O-N 3.36Å
571	N	70.6	Confident	74.3	Confident	81 Å²	81	62 Å²	62	43%	0.433	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.7	173.4	54.2	-7.2	0	0	0	115	K569 N614	K569-N571 WeakPolarHBondContact CB-OD1 3.44Å; K569-N571 PolarHBondContact O-N 3.33Å; K569-N571 VanDerWaalsContact O-N 3.09Å; N571-N614 PolarHBondContact O-ND2 2.92Å
572	N	75.6	Confident	75	Confident	90 Å²	90	58.3 Å²	58.3	48%	0.481	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-153.6	97.1	177.9	-172.3	13.7	0	0	0	112	K569 S612	K569-N572 CarbonylContact O-C 3.3Å; K569-N572 VanDerWaalsContact O-C 3.3Å; K569-N572 PolarHBondContact O-N 3.5Å; K569-N572 VanDerWaalsContact O-O 3.13Å; N572-S612 WeakPolarHBondContact OD1-CA 3.45Å; N572-S612 WeakPolarHBondContact OD1-CB 3.17Å
573	V	78.4	Confident	75.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-120.9	127.2	-177.5	177.7	0	0	0	0	109.8	F563 F568 K569 L575 L578 F613	F563-V573 HydrophobicContact CD1-CG2 3.99Å; F563-V573 HydrophobicContact CE1-CB 3.94Å; F563-V573 HydrophobicContact CE1-CG1 3.38Å; F563-V573 HydrophobicContact CE1-CG2 3.33Å; F563-V573 HydrophobicContact CZ-CB 4.37Å; F563-V573 HydrophobicContact CZ-CG1 3.72Å; F563-V573 HydrophobicContact CZ-CG2 4.03Å; F568-V573 HydrophobicContact CB-CG2 4.36Å; K569-V573 WeakPolarHBondContact O-CG2 3.33Å; V573-L575 HydrophobicContact CG1-CD2 4.41Å; V573-L575 PolarHBondContact O-N 3.28Å; V573-L578 HydrophobicContact CG1-CB 4.38Å; V573-F613 HydrophobicContact CB-CB 4.28Å; V573-F613 WeakPolarHBondContact CB-O 3.19Å; V573-F613 PolarHBondContact N-O 2.89Å; V573-F613 WeakPolarHBondContact O-CA 3.43Å; V573-F613 VanDerWaalsContact O-CB 3.23Å; V573-F613 WeakPolarHBondContact O-CB 3.39Å; V573-F613 PolarHBondContact O-N 3.04Å
574	N	84.4	Confident	76.7	Confident	38 Å²	38	66.8 Å²	66.8	20%	0.203	36%	0.358	C	S	.	.			trans	-81	114.6	163.4	-177.4	-26.2	0	0	0	109.4	Y576 S577 L578 M611	N574-Y576 VanDerWaalsContact C-N 3.3Å; N574-Y576 PolarHBondContact O-N 3.01Å; N574-Y576 WeakPolarHBondContact OD1-CB 3.4Å; N574-Y576 PolarHBondContact OD1-N 2.87Å; N574-S577 WeakPolarHBondContact O-CB 3.34Å; N574-S577 PolarHBondContact O-N 2.99Å; N574-S577 VanDerWaalsContact O-N 3.15Å; N574-S577 PolarHBondContact OD1-N 3.12Å; N574-L578 PolarHBondContact O-N 2.83Å; N574-M611 WeakPolarHBondContact CA-O 3.38Å; N574-M611 WeakPolarHBondContact ND2-CE 3.16Å; N574-M611 PolarHBondContact ND2-SD 2.9Å; N574-M611 VanDerWaalsContact ND2-SD 3.44Å
575	L	83	Confident	77.4	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-30.5	-178.1	-62	178.4	0	0	0	112.7	V573 S577 L578 V579 V598 L601 I602 L605 I610 F613	V573-L575 HydrophobicContact CG1-CD2 4.41Å; V573-L575 PolarHBondContact O-N 3.28Å; L575-S577 VanDerWaalsContact C-N 3.33Å; L575-L578 HydrophobicContact CD2-CD2 4.25Å; L575-L578 WeakPolarHBondContact O-CB 3.49Å; L575-L578 PolarHBondContact O-N 3.37Å; L575-V579 WeakPolarHBondContact O-CG2 3.41Å; L575-V579 PolarHBondContact O-N 2.87Å; L575-V598 HydrophobicContact CB-CG1 4.32Å; L575-V598 HydrophobicContact CD2-CG1 4.31Å; L575-L601 HydrophobicContact CD1-CD2 4Å; L575-I602 HydrophobicContact CB-CD1 3.87Å; L575-I602 HydrophobicContact CB-CG1 3.65Å; L575-I602 HydrophobicContact CD1-CG1 4.06Å; L575-L605 HydrophobicContact CD1-CD1 3.72Å; L575-I610 HydrophobicContact CB-CG2 4.19Å; L575-I610 PolarHBondContact N-O 3.35Å; L575-F613 HydrophobicContact CD1-CB 4.2Å; L575-F613 HydrophobicContact CD1-CD2 3.93Å; L575-F613 HydrophobicContact CD1-CE2 4.49Å; L575-F613 HydrophobicContact CD1-CG 4.11Å; L575-F613 HydrophobicContact CD2-CB 3.75Å; L575-F613 HydrophobicContact CD2-CD1 3.76Å; L575-F613 HydrophobicContact CD2-CD2 4.27Å; L575-F613 HydrophobicContact CD2-CE1 4.36Å; L575-F613 HydrophobicContact CD2-CG 3.67Å; L575-F613 HydrophobicContact CG-CB 3.73Å; L575-F613 HydrophobicContact CG-CD2 4.33Å; L575-F613 HydrophobicContact CG-CG 3.99Å
576	Y	86.3	Confident	78	Confident	114 Å²	114	66 Å²	66	45%	0.447	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-42.5	172.7	-67.3	-66.3	0	0	0	111.1	N574 L578 V579 A580 I602 I610 M611	N574-Y576 VanDerWaalsContact C-N 3.3Å; N574-Y576 PolarHBondContact O-N 3.01Å; N574-Y576 WeakPolarHBondContact OD1-CB 3.4Å; N574-Y576 PolarHBondContact OD1-N 2.87Å; Y576-L578 VanDerWaalsContact C-N 3.29Å; Y576-L578 PolarHBondContact O-N 2.67Å; Y576-V579 PolarHBondContact O-N 2.87Å; Y576-A580 PolarHBondContact O-N 3.48Å; Y576-I602 HydrophobicContact CD1-CD1 4.07Å; Y576-I602 HydrophobicContact CD1-CG2 4.4Å; Y576-I602 HydrophobicContact CE1-CD1 4.32Å; Y576-I602 HydrophobicContact CE1-CG2 3.63Å; Y576-I610 HydrophobicContact CD2-CG2 3.49Å; Y576-I610 VanDerWaalsContact CD2-CG2 3.49Å; Y576-I610 HydrophobicContact CE2-CB 4.45Å; Y576-I610 HydrophobicContact CE2-CG2 3.26Å; Y576-I610 HydrophobicContact CG-CG2 4.3Å; Y576-M611 HydrophobicContact CD2-SD 4.16Å
577	S	83.6	Confident	78.5	Confident	54 Å²	54	73.8 Å²	73.8	38%	0.378	38%	0.379	S	S	.	.	H	α-helix	trans	-65.9	-32.9	175.5	-54.2	0	0	0	0	112.3	N574 L575 K581	N574-S577 WeakPolarHBondContact O-CB 3.34Å; N574-S577 PolarHBondContact O-N 2.99Å; N574-S577 VanDerWaalsContact O-N 3.15Å; N574-S577 PolarHBondContact OD1-N 3.12Å; L575-S577 VanDerWaalsContact C-N 3.33Å; S577-K581 PolarHBondContact O-N 3.49Å
578	L	82.8	Confident	79	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-47.5	173.4	-178	67	0	0	0	111.3	I562 F563 F568 V573 N574 L575 Y576 A580 K581 L582 V598	I562-L578 HydrophobicContact CG2-CD1 4.27Å; F563-L578 HydrophobicContact CE1-CD1 3.92Å; F563-L578 HydrophobicContact CE1-CD2 4.18Å; F563-L578 HydrophobicContact CE2-CD1 4.23Å; F563-L578 HydrophobicContact CE2-CD2 3.78Å; F563-L578 HydrophobicContact CZ-CD1 3.79Å; F563-L578 HydrophobicContact CZ-CD2 3.32Å; F563-L578 HydrophobicContact CZ-CG 4.13Å; F568-L578 HydrophobicContact CD2-CD1 4.28Å; F568-L578 HydrophobicContact CE2-CD1 3.72Å; F568-L578 HydrophobicContact CZ-CD1 4.44Å; V573-L578 HydrophobicContact CG1-CB 4.38Å; N574-L578 PolarHBondContact O-N 2.83Å; L575-L578 HydrophobicContact CD2-CD2 4.25Å; L575-L578 WeakPolarHBondContact O-CB 3.49Å; L575-L578 PolarHBondContact O-N 3.37Å; Y576-L578 VanDerWaalsContact C-N 3.29Å; Y576-L578 PolarHBondContact O-N 2.67Å; L578-A580 VanDerWaalsContact C-N 3.34Å; L578-A580 PolarHBondContact O-N 3.04Å; L578-K581 PolarHBondContact O-N 3.13Å; L578-L582 HydrophobicContact CG-CD1 4.09Å; L578-L582 VanDerWaalsContact O-CG 3.27Å; L578-L582 WeakPolarHBondContact O-CG 3.47Å; L578-L582 PolarHBondContact O-N 2.99Å; L578-V598 HydrophobicContact CD2-CG1 3.92Å; L578-V598 HydrophobicContact CD2-CG2 3.78Å
579	V	84.7	Confident	79.4	Confident	17 Å²	17	71.7 Å²	71.7	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-58.6	-46.3	176.3	173.2	0	0	0	0	110.8	L575 Y576 K581 L582 E583 K595 V598 I602	L575-V579 WeakPolarHBondContact O-CG2 3.41Å; L575-V579 PolarHBondContact O-N 2.87Å; Y576-V579 PolarHBondContact O-N 2.87Å; V579-K581 VanDerWaalsContact C-N 3.32Å; V579-K581 PolarHBondContact O-N 3.01Å; V579-L582 WeakPolarHBondContact O-CB 3.48Å; V579-L582 PolarHBondContact O-N 2.77Å; V579-L582 VanDerWaalsContact O-N 3.16Å; V579-E583 HydrophobicContact CG1-CG 4.47Å; V579-E583 WeakPolarHBondContact O-CG 3.27Å; V579-E583 PolarHBondContact O-N 3.49Å; V579-K595 HydrophobicContact CG1-CG 4.46Å; V579-V598 HydrophobicContact CG2-CB 4.14Å; V579-V598 HydrophobicContact CG2-CG1 3.52Å; V579-I602 HydrophobicContact CG2-CD1 3.62Å
580	A	84.6	Confident	79.6	Confident	52 Å²	52	67.2 Å²	67.2	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-39.2	178.1	0	0	0	0	0	112.6	Y576 L578 E583 S584	Y576-A580 PolarHBondContact O-N 3.48Å; L578-A580 VanDerWaalsContact C-N 3.34Å; L578-A580 PolarHBondContact O-N 3.04Å; A580-E583 WeakPolarHBondContact O-CB 3.42Å; A580-E583 PolarHBondContact O-N 3.31Å; A580-S584 PolarHBondContact O-N 3.07Å; A580-S584 VanDerWaalsContact O-N 3.09Å; A580-S584 PolarHBondContact O-OG 2.79Å
581	K	81.5	Confident	80.2	Confident	79 Å²	79	66.6 Å²	66.6	34%	0.343	35%	0.354	S	S	.	.	H	α-helix	trans	-67.1	-41.4	174.3	-80.1	-166.6	-169	166.4	0	112.5	C566 F568 S577 L578 V579 E583 S584 A585	C566-K581 HydrophobicContact CB-CD 3.97Å; C566-K581 PolarHBondContact O-NZ 3.16Å; F568-K581 HydrophobicContact CE1-CD 4.49Å; F568-K581 HydrophobicContact CE2-CD 3.64Å; F568-K581 HydrophobicContact CZ-CD 3.48Å; F568-K581 VanDerWaalsContact CZ-CD 3.48Å; F568-K581 HydrophobicContact CZ-CG 4.26Å; F568-K581 VanDerWaalsContact CZ-NZ 3.28Å; S577-K581 PolarHBondContact O-N 3.49Å; L578-K581 PolarHBondContact O-N 3.13Å; V579-K581 VanDerWaalsContact C-N 3.32Å; V579-K581 PolarHBondContact O-N 3.01Å; K581-E583 PolarHBondContact O-N 3.24Å; K581-S584 WeakPolarHBondContact CA-OG 3.49Å; K581-S584 PolarHBondContact O-N 2.99Å; K581-S584 PolarHBondContact O-OG 3.43Å; K581-A585 PolarHBondContact O-N 3.34Å; K581-A585 VanDerWaalsContact O-N 3.17Å
582	L	82.2	Confident	80.5	Confident	9 Å²	9	64.2 Å²	64.2	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-31.2	175.4	-67.7	169.7	0	0	0	111.8	I562 L578 V579 I591 L594 K595 V598	I562-L582 HydrophobicContact CD1-CD2 3.87Å; I562-L582 HydrophobicContact CG2-CD2 4.06Å; L578-L582 HydrophobicContact CG-CD1 4.09Å; L578-L582 VanDerWaalsContact O-CG 3.27Å; L578-L582 WeakPolarHBondContact O-CG 3.47Å; L578-L582 PolarHBondContact O-N 2.99Å; V579-L582 WeakPolarHBondContact O-CB 3.48Å; V579-L582 PolarHBondContact O-N 2.77Å; V579-L582 VanDerWaalsContact O-N 3.16Å; L582-I591 HydrophobicContact CB-CG2 4.27Å; L582-I591 HydrophobicContact CD2-CG2 3.93Å; L582-I591 WeakPolarHBondContact O-CG2 3.41Å; L582-L594 HydrophobicContact CD1-CB 4.27Å; L582-L594 HydrophobicContact CD1-CD2 4.19Å; L582-L594 HydrophobicContact CD2-CB 4.4Å; L582-L594 HydrophobicContact CD2-CD2 4.15Å; L582-K595 HydrophobicContact CB-CB 4.36Å; L582-K595 HydrophobicContact CD1-CB 4.45Å; L582-V598 HydrophobicContact CD1-CG2 4.29Å
583	E	83.2	Confident	80.5	Confident	116 Å²	116	64.4 Å²	64.4	54%	0.542	34%	0.339	S	S	.	.	H	α-helix	trans	-72.2	-34.8	174.1	-76.3	-178.3	154.5	0	0	113.5	V579 A580 K581 A585 K595	V579-E583 HydrophobicContact CG1-CG 4.47Å; V579-E583 WeakPolarHBondContact O-CG 3.27Å; V579-E583 PolarHBondContact O-N 3.49Å; A580-E583 WeakPolarHBondContact O-CB 3.42Å; A580-E583 PolarHBondContact O-N 3.31Å; K581-E583 PolarHBondContact O-N 3.24Å; E583-A585 VanDerWaalsContact C-N 3.31Å; E583-K595 HydrophobicContact CG-CD 3.9Å; E583-K595 WeakPolarHBondContact OE1-CE 3.5Å; E583-K595 IonicContact OE1-NZ 3.77Å; E583-K595 PolarHBondContact OE1-NZ 3.47Å
584	S	82.2	Confident	80.4	Confident	96 Å²	96	64.4 Å²	64.4	67%	0.671	34%	0.339	S	S	*	.	H	α-helix	trans	-80.7	-9.6	178	64.3	0	0	0	0	114.4	A580 K581	A580-S584 PolarHBondContact O-N 3.07Å; A580-S584 VanDerWaalsContact O-N 3.09Å; A580-S584 PolarHBondContact O-OG 2.79Å; K581-S584 WeakPolarHBondContact CA-OG 3.49Å; K581-S584 PolarHBondContact O-N 2.99Å; K581-S584 PolarHBondContact O-OG 3.43Å
585	A	78.8	Confident	80.2	Confident	41 Å²	41	66 Å²	66	34%	0.339	34%	0.344	S	S	.	.	S	Bend	trans	-81.3	149.7	-178	0	0	0	0	0	111.6	K581 E583 I591	K581-A585 PolarHBondContact O-N 3.34Å; K581-A585 VanDerWaalsContact O-N 3.17Å; E583-A585 VanDerWaalsContact C-N 3.31Å; A585-I591 HydrophobicContact CB-CD1 3.91Å; A585-I591 HydrophobicContact CB-CG2 4.27Å
586	D	79	Confident	80	Confident	150 Å²	150	70.4 Å²	70.4	80%	0.802	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-56.7	143.5	174.7	-67.3	-37.1	0	0	0	111.3	N588	D586-N588 PolarHBondContact O-N 2.88Å; D586-N588 VanDerWaalsContact O-N 3.12Å
587	Y	78	Confident	79.4	Confident	197 Å²	197	65.2 Å²	65.2	77%	0.773	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-58.5	119.2	-173.4	-178.3	-93.5	0	0	0	111.7	A592	Y587-A592 HydrophobicContact CE2-CB 4.45Å
588	N	78.4	Confident	79.1	Confident	79 Å²	79	63 Å²	63	42%	0.422	33%	0.331	S	S	.	.			trans	-138.9	135.1	172	-177.3	-59.8	0	0	0	108.4	D586 Q590 I591 A592	D586-N588 PolarHBondContact O-N 2.88Å; D586-N588 VanDerWaalsContact O-N 3.12Å; N588-Q590 PolarHBondContact O-N 3.1Å; N588-Q590 VanDerWaalsContact O-N 3.16Å; N588-Q590 WeakPolarHBondContact OD1-CB 2.98Å; N588-Q590 PolarHBondContact OD1-N 3.37Å; N588-I591 HydrophobicContact CB-CB 4.08Å; N588-I591 HydrophobicContact CB-CD1 3.82Å; N588-I591 HydrophobicContact CB-CG1 3.87Å; N588-I591 WeakPolarHBondContact O-CB 3.44Å; N588-I591 PolarHBondContact O-N 3.38Å; N588-A592 PolarHBondContact O-N 3.06Å
589	V	76.6	Confident	78.9	Confident	87 Å²	87	64.9 Å²	64.9	53%	0.527	34%	0.344	S	S	.	.	H	α-helix	trans	-53.2	-38.6	-179.1	167.6	0	0	0	0	112	R593	V589-R593 WeakPolarHBondContact O-CG 3.14Å; V589-R593 PolarHBondContact O-N 2.96Å
590	Q	74	Confident	78.4	Confident	59 Å²	59	67.5 Å²	67.5	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-72	-37.6	178.6	-58.8	-62	-6.9	0	0	112.1	N588 R593 L594	N588-Q590 PolarHBondContact O-N 3.1Å; N588-Q590 VanDerWaalsContact O-N 3.16Å; N588-Q590 WeakPolarHBondContact OD1-CB 2.98Å; N588-Q590 PolarHBondContact OD1-N 3.37Å; Q590-R593 PolarHBondContact O-N 3.31Å; Q590-L594 WeakPolarHBondContact O-CB 3.38Å; Q590-L594 PolarHBondContact O-N 3.37Å
591	I	75.9	Confident	77.7	Confident	37 Å²	37	65.9 Å²	65.9	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-43.4	174.7	-67.1	179.1	0	0	0	110.2	I562 L582 A585 N588 L594 K595	I562-I591 HydrophobicContact CD1-CG1 4.28Å; L582-I591 HydrophobicContact CB-CG2 4.27Å; L582-I591 HydrophobicContact CD2-CG2 3.93Å; L582-I591 WeakPolarHBondContact O-CG2 3.41Å; A585-I591 HydrophobicContact CB-CD1 3.91Å; A585-I591 HydrophobicContact CB-CG2 4.27Å; N588-I591 HydrophobicContact CB-CB 4.08Å; N588-I591 HydrophobicContact CB-CD1 3.82Å; N588-I591 HydrophobicContact CB-CG1 3.87Å; N588-I591 WeakPolarHBondContact O-CB 3.44Å; N588-I591 PolarHBondContact O-N 3.38Å; I591-L594 PolarHBondContact O-N 3.37Å; I591-K595 WeakPolarHBondContact O-CB 3.4Å; I591-K595 PolarHBondContact O-N 3.48Å
592	A	76.3	Confident	77.4	Confident	31 Å²	31	63.1 Å²	63.1	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-44.2	176.1	0	0	0	0	0	111.9	Y587 N588 K595 I596	Y587-A592 HydrophobicContact CE2-CB 4.45Å; N588-A592 PolarHBondContact O-N 3.06Å; A592-K595 PolarHBondContact O-N 3.39Å; A592-I596 WeakPolarHBondContact O-CG1 3.24Å; A592-I596 PolarHBondContact O-N 3.48Å
593	R	77.1	Confident	77	Confident	93 Å²	93	71.5 Å²	71.5	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-44.4	173.2	-74.3	-177	84.7	-169.4	1.5	111.6	E554 L555 V589 Q590 K595 I596 V597	E554-R593 IonicContact OE2-NH2 3.79Å; L555-R593 HydrophobicContact CD1-CB 4.27Å; L555-R593 HydrophobicContact CD2-CB 4.45Å; V589-R593 WeakPolarHBondContact O-CG 3.14Å; V589-R593 PolarHBondContact O-N 2.96Å; Q590-R593 PolarHBondContact O-N 3.31Å; R593-K595 VanDerWaalsContact C-N 3.33Å; R593-K595 PolarHBondContact O-N 2.9Å; R593-I596 PolarHBondContact O-N 3.15Å; R593-V597 WeakPolarHBondContact O-CG2 3.47Å; R593-V597 PolarHBondContact O-N 3.1Å
594	L	76.5	Confident	75.8	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-44.1	177.9	-129	97.6	0	0	0	111.4	L555 H558 L559 I562 L582 Q590 I591 I596 V597 V598	L555-L594 HydrophobicContact CB-CD1 3.96Å; L555-L594 HydrophobicContact CD1-CD1 4.22Å; L555-L594 HydrophobicContact CD2-CD1 4.2Å; L555-L594 HydrophobicContact CG-CD1 4.35Å; H558-L594 HydrophobicContact CB-CD1 3.77Å; L559-L594 HydrophobicContact CD2-CD2 3.66Å; L559-L594 HydrophobicContact CD2-CG 4.26Å; L559-L594 HydrophobicContact CG-CD1 4.15Å; L559-L594 HydrophobicContact CG-CD2 3.9Å; L559-L594 HydrophobicContact CG-CG 4.17Å; I562-L594 HydrophobicContact CD1-CD1 4.23Å; I562-L594 HydrophobicContact CD1-CD2 3.56Å; I562-L594 HydrophobicContact CD1-CG 4.32Å; L582-L594 HydrophobicContact CD1-CB 4.27Å; L582-L594 HydrophobicContact CD1-CD2 4.19Å; L582-L594 HydrophobicContact CD2-CB 4.4Å; L582-L594 HydrophobicContact CD2-CD2 4.15Å; Q590-L594 WeakPolarHBondContact O-CB 3.38Å; Q590-L594 PolarHBondContact O-N 3.37Å; I591-L594 PolarHBondContact O-N 3.37Å; L594-I596 VanDerWaalsContact C-N 3.34Å; L594-I596 PolarHBondContact O-N 3.06Å; L594-V597 PolarHBondContact O-N 3.07Å; L594-V598 VanDerWaalsContact O-CG2 3.28Å; L594-V598 WeakPolarHBondContact O-CG2 3.43Å; L594-V598 PolarHBondContact O-N 3.09Å
595	K	79.9	Confident	75	Confident	70 Å²	70	67.9 Å²	67.9	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-56	-50.3	177.6	-178.2	-173.6	173.5	179.9	0	110.5	V579 L582 E583 I591 A592 R593 V597 V598 S599	V579-K595 HydrophobicContact CG1-CG 4.46Å; L582-K595 HydrophobicContact CB-CB 4.36Å; L582-K595 HydrophobicContact CD1-CB 4.45Å; E583-K595 HydrophobicContact CG-CD 3.9Å; E583-K595 WeakPolarHBondContact OE1-CE 3.5Å; E583-K595 IonicContact OE1-NZ 3.77Å; E583-K595 PolarHBondContact OE1-NZ 3.47Å; I591-K595 WeakPolarHBondContact O-CB 3.4Å; I591-K595 PolarHBondContact O-N 3.48Å; A592-K595 PolarHBondContact O-N 3.39Å; R593-K595 VanDerWaalsContact C-N 3.33Å; R593-K595 PolarHBondContact O-N 2.9Å; K595-V597 VanDerWaalsContact C-N 3.3Å; K595-V597 PolarHBondContact O-N 3.19Å; K595-V598 PolarHBondContact O-N 2.74Å; K595-S599 WeakPolarHBondContact O-CB 3.5Å; K595-S599 PolarHBondContact O-N 3.2Å; K595-S599 PolarHBondContact O-OG 3.16Å
596	I	77.6	Confident	74.6	Confident	95 Å²	95	70 Å²	70	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-57.7	-46.1	178.3	-67.2	165.9	0	0	0	110.5	A592 R593 L594 S599 K600	A592-I596 WeakPolarHBondContact O-CG1 3.24Å; A592-I596 PolarHBondContact O-N 3.48Å; R593-I596 PolarHBondContact O-N 3.15Å; L594-I596 VanDerWaalsContact C-N 3.34Å; L594-I596 PolarHBondContact O-N 3.06Å; I596-S599 PolarHBondContact O-N 3.34Å; I596-K600 HydrophobicContact CG2-CD 4.3Å; I596-K600 WeakPolarHBondContact O-CG 3.36Å; I596-K600 PolarHBondContact O-N 3.11Å
597	V	74	Confident	74.5	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.03	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-46	-178.6	167.1	0	0	0	0	112.2	L548 E551 I552 L555 R593 L594 K595 K600 L601	L548-V597 HydrophobicContact CD1-CB 4.43Å; L548-V597 HydrophobicContact CD1-CG1 3.95Å; L548-V597 HydrophobicContact CD1-CG2 4.34Å; E551-V597 HydrophobicContact CB-CG2 3.98Å; E551-V597 WeakPolarHBondContact OE2-CG2 3.43Å; I552-V597 HydrophobicContact CD1-CG1 4.16Å; I552-V597 HydrophobicContact CG1-CG1 3.32Å; L555-V597 HydrophobicContact CD1-CB 4.23Å; L555-V597 HydrophobicContact CD1-CG2 3.74Å; R593-V597 WeakPolarHBondContact O-CG2 3.47Å; R593-V597 PolarHBondContact O-N 3.1Å; L594-V597 PolarHBondContact O-N 3.07Å; K595-V597 VanDerWaalsContact C-N 3.3Å; K595-V597 PolarHBondContact O-N 3.19Å; V597-K600 WeakPolarHBondContact O-CB 3.49Å; V597-K600 PolarHBondContact O-N 3.09Å; V597-L601 PolarHBondContact O-N 3.17Å
598	V	76.8	Confident	74.3	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-41.2	177.5	176.5	0	0	0	0	110.6	L575 L578 V579 L582 L594 K595 K600 L601 I602	L575-V598 HydrophobicContact CB-CG1 4.32Å; L575-V598 HydrophobicContact CD2-CG1 4.31Å; L578-V598 HydrophobicContact CD2-CG1 3.92Å; L578-V598 HydrophobicContact CD2-CG2 3.78Å; V579-V598 HydrophobicContact CG2-CB 4.14Å; V579-V598 HydrophobicContact CG2-CG1 3.52Å; L582-V598 HydrophobicContact CD1-CG2 4.29Å; L594-V598 VanDerWaalsContact O-CG2 3.28Å; L594-V598 WeakPolarHBondContact O-CG2 3.43Å; L594-V598 PolarHBondContact O-N 3.09Å; K595-V598 PolarHBondContact O-N 2.74Å; V598-K600 VanDerWaalsContact C-N 3.33Å; V598-K600 PolarHBondContact O-N 2.94Å; V598-L601 WeakPolarHBondContact O-CA 3.45Å; V598-L601 VanDerWaalsContact O-CB 3.28Å; V598-L601 WeakPolarHBondContact O-CB 3.31Å; V598-L601 PolarHBondContact O-N 3.4Å; V598-L601 VanDerWaalsContact O-N 3.08Å; V598-I602 HydrophobicContact CG1-CD1 4.3Å; V598-I602 WeakPolarHBondContact O-CG1 3.34Å; V598-I602 PolarHBondContact O-N 3.23Å
599	S	79.7	Confident	74.2	Confident	41 Å²	41	64 Å²	64	29%	0.287	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-38.1	175.3	-64.8	0	0	0	0	112.5	K595 I596 L601 I602 K603	K595-S599 WeakPolarHBondContact O-CB 3.5Å; K595-S599 PolarHBondContact O-N 3.2Å; K595-S599 PolarHBondContact O-OG 3.16Å; I596-S599 PolarHBondContact O-N 3.34Å; S599-L601 VanDerWaalsContact C-N 3.35Å; S599-I602 PolarHBondContact O-N 2.9Å; S599-K603 PolarHBondContact O-N 3.37Å
600	K	73.8	Confident	74.1	Confident	72 Å²	72	60 Å²	60	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-42.2	170.8	-73	173.1	-177.9	176.5	0	110.9	L548 E551 I596 V597 V598 I602 K603 L604	L548-K600 HydrophobicContact CD1-CB 3.98Å; L548-K600 HydrophobicContact CD1-CD 3.88Å; L548-K600 HydrophobicContact CD2-CB 4.12Å; E551-K600 IonicContact OE2-NZ 3.16Å; E551-K600 PolarHBondContact OE2-NZ 2.95Å; I596-K600 HydrophobicContact CG2-CD 4.3Å; I596-K600 WeakPolarHBondContact O-CG 3.36Å; I596-K600 PolarHBondContact O-N 3.11Å; V597-K600 WeakPolarHBondContact O-CB 3.49Å; V597-K600 PolarHBondContact O-N 3.09Å; V598-K600 VanDerWaalsContact C-N 3.33Å; V598-K600 PolarHBondContact O-N 2.94Å; K600-I602 PolarHBondContact O-N 2.97Å; K600-K603 PolarHBondContact O-N 2.82Å; K600-L604 WeakPolarHBondContact O-CG 3.48Å; K600-L604 PolarHBondContact O-N 3.38Å
601	L	69.1	Low	74.5	Confident	18 Å²	18	62 Å²	62	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-43	177.7	-143.1	92	0	0	0	112.3	I552 L575 V597 V598 S599 K603 L604 L605 F613 F618	I552-L601 HydrophobicContact CD1-CD1 3.4Å; I552-L601 HydrophobicContact CG1-CD1 4.47Å; L575-L601 HydrophobicContact CD1-CD2 4Å; V597-L601 PolarHBondContact O-N 3.17Å; V598-L601 WeakPolarHBondContact O-CA 3.45Å; V598-L601 VanDerWaalsContact O-CB 3.28Å; V598-L601 WeakPolarHBondContact O-CB 3.31Å; V598-L601 PolarHBondContact O-N 3.4Å; V598-L601 VanDerWaalsContact O-N 3.08Å; S599-L601 VanDerWaalsContact C-N 3.35Å; L601-K603 VanDerWaalsContact C-N 3.27Å; L601-K603 PolarHBondContact O-N 3.36Å; L601-L604 PolarHBondContact O-N 3.06Å; L601-L605 HydrophobicContact CD2-CD1 3.67Å; L601-L605 HydrophobicContact CG-CD1 3.99Å; L601-L605 WeakPolarHBondContact O-CG 3.08Å; L601-L605 PolarHBondContact O-N 2.98Å; L601-L605 VanDerWaalsContact O-N 3.13Å; L601-F613 HydrophobicContact CD2-CD2 4.34Å; L601-F613 HydrophobicContact CD2-CE2 3.53Å; L601-F613 HydrophobicContact CD2-CZ 3.61Å; L601-F618 HydrophobicContact CD1-CE2 4.49Å; L601-F618 HydrophobicContact CD1-CZ 4.05Å; L601-F618 HydrophobicContact CD2-CZ 4.49Å
602	I	76.4	Confident	74.6	Confident	21 Å²	21	63.1 Å²	63.1	11%	0.108	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-38	177.7	-70.9	170.8	0	0	0	111.3	L575 Y576 V579 V598 S599 K600 L604 I610	L575-I602 HydrophobicContact CB-CD1 3.87Å; L575-I602 HydrophobicContact CB-CG1 3.65Å; L575-I602 HydrophobicContact CD1-CG1 4.06Å; Y576-I602 HydrophobicContact CD1-CD1 4.07Å; Y576-I602 HydrophobicContact CD1-CG2 4.4Å; Y576-I602 HydrophobicContact CE1-CD1 4.32Å; Y576-I602 HydrophobicContact CE1-CG2 3.63Å; V579-I602 HydrophobicContact CG2-CD1 3.62Å; V598-I602 HydrophobicContact CG1-CD1 4.3Å; V598-I602 WeakPolarHBondContact O-CG1 3.34Å; V598-I602 PolarHBondContact O-N 3.23Å; S599-I602 PolarHBondContact O-N 2.9Å; K600-I602 PolarHBondContact O-N 2.97Å; I602-L604 PolarHBondContact O-N 3.26Å; I602-I610 HydrophobicContact CG1-CG2 4.43Å; I602-I610 HydrophobicContact CG2-CD1 4.09Å; I602-I610 HydrophobicContact CG2-CG2 4.49Å; I602-I610 WeakPolarHBondContact O-CD1 3.39Å
603	K	72.9	Confident	74.7	Confident	185 Å²	185	62.5 Å²	62.5	80%	0.804	32%	0.315	S	S	*	.	H	α-helix	trans	-67.9	-18.6	177.4	-66.6	-179.9	-178.5	-174.6	0	113.4	S599 K600 L601	S599-K603 PolarHBondContact O-N 3.37Å; K600-K603 PolarHBondContact O-N 2.82Å; L601-K603 VanDerWaalsContact C-N 3.27Å; L601-K603 PolarHBondContact O-N 3.36Å
604	L	59.4	Low	74.5	Confident	86 Å²	86	59.3 Å²	59.3	45%	0.45	31%	0.305	S	S	.	.	H	α-helix	trans	-101.7	-21.3	-174.3	-65.9	172.2	0	0	0	113.5	L548 K600 L601 I602	L548-L604 HydrophobicContact CD2-CD1 3.48Å; L548-L604 VanDerWaalsContact CD2-CD1 3.48Å; K600-L604 WeakPolarHBondContact O-CG 3.48Å; K600-L604 PolarHBondContact O-N 3.38Å; L601-L604 PolarHBondContact O-N 3.06Å; I602-L604 PolarHBondContact O-N 3.26Å
605	L	65.6	Low	74	Confident	51 Å²	51	59.4 Å²	59.4	27%	0.267	31%	0.306	S	S	.	.	S	Bend	trans	-95.7	156	-176.1	-67.5	174.5	0	0	0	111.5	L575 L601 D609 I610 F613	L575-L605 HydrophobicContact CD1-CD1 3.72Å; L601-L605 HydrophobicContact CD2-CD1 3.67Å; L601-L605 HydrophobicContact CG-CD1 3.99Å; L601-L605 WeakPolarHBondContact O-CG 3.08Å; L601-L605 PolarHBondContact O-N 2.98Å; L601-L605 VanDerWaalsContact O-N 3.13Å; L605-D609 HydrophobicContact CB-CB 4.16Å; L605-D609 HydrophobicContact CD2-CB 4.28Å; L605-I610 HydrophobicContact CB-CD1 4.37Å; L605-I610 HydrophobicContact CB-CG1 3.73Å; L605-I610 WeakPolarHBondContact O-CD1 3.47Å; L605-F613 HydrophobicContact CD1-CD2 3.79Å; L605-F613 HydrophobicContact CD1-CE2 3.76Å
606	N	70.3	Confident	73.2	Confident	84 Å²	84	60 Å²	60	45%	0.449	31%	0.312	S	S	.	.			trans	-77.6	162.5	170.5	65	59	0	0	0	110.4	N608 D609 I610	N606-N608 VanDerWaalsContact C-N 3.26Å; N606-N608 PolarHBondContact O-N 3.25Å; N606-N608 WeakPolarHBondContact OD1-CB 3.43Å; N606-N608 PolarHBondContact OD1-N 3.37Å; N606-N608 VanDerWaalsContact OD1-N 3.1Å; N606-D609 PolarHBondContact ND2-OD2 2.95Å; N606-D609 PolarHBondContact O-N 3.45Å; N606-D609 VanDerWaalsContact O-N 3.15Å; N606-D609 PolarHBondContact OD1-N 2.99Å; N606-D609 PolarHBondContact OD1-OD2 3.23Å; N606-I610 WeakPolarHBondContact O-CD1 3.32Å; N606-I610 VanDerWaalsContact O-CG1 3.24Å; N606-I610 WeakPolarHBondContact O-CG1 3.45Å; N606-I610 PolarHBondContact O-N 3.44Å
607	N	76.4	Confident	72.6	Confident	111 Å²	111	57.5 Å²	57.5	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-56.5	-35.7	-177.4	-81.8	-16.9	0	0	0	114	I610 M611	N607-I610 PolarHBondContact O-N 3.24Å; N607-M611 WeakPolarHBondContact O-CB 3.36Å; N607-M611 WeakPolarHBondContact O-CG 3.48Å; N607-M611 PolarHBondContact O-N 3.38Å
608	N	74.5	Confident	72.2	Confident	126 Å²	126	58.7 Å²	58.7	67%	0.674	30%	0.302	S	S	*	.	H	α-helix	trans	-66.2	-46.8	178.8	-70.1	-17.7	0	0	0	111.1	N606 I610 M611 S612	N606-N608 VanDerWaalsContact C-N 3.26Å; N606-N608 PolarHBondContact O-N 3.25Å; N606-N608 WeakPolarHBondContact OD1-CB 3.43Å; N606-N608 PolarHBondContact OD1-N 3.37Å; N606-N608 VanDerWaalsContact OD1-N 3.1Å; N608-I610 VanDerWaalsContact C-N 3.26Å; N608-I610 PolarHBondContact O-N 3.01Å; N608-M611 PolarHBondContact O-N 3.15Å; N608-S612 PolarHBondContact O-N 3.39Å; N608-S612 PolarHBondContact O-OG 3.06Å; N608-S612 VanDerWaalsContact O-OG 3.12Å
609	D	75.1	Confident	71.5	Confident	64 Å²	64	58.8 Å²	58.8	34%	0.342	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-30.2	177.4	-69.5	-35.1	0	0	0	112.2	L605 N606 F613	L605-D609 HydrophobicContact CB-CB 4.16Å; L605-D609 HydrophobicContact CD2-CB 4.28Å; N606-D609 PolarHBondContact ND2-OD2 2.95Å; N606-D609 PolarHBondContact O-N 3.45Å; N606-D609 VanDerWaalsContact O-N 3.15Å; N606-D609 PolarHBondContact OD1-N 2.99Å; N606-D609 PolarHBondContact OD1-OD2 3.23Å; D609-F613 WeakPolarHBondContact O-CA 3.44Å; D609-F613 VanDerWaalsContact O-CB 3.29Å; D609-F613 WeakPolarHBondContact O-CB 3.33Å; D609-F613 PolarHBondContact O-N 3.32Å; D609-F613 VanDerWaalsContact O-N 3.14Å
610	I	75.6	Confident	70.5	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-70.2	-43.6	174.7	-66.9	163.4	0	0	0	111.3	L575 Y576 I602 L605 N606 N607 N608	L575-I610 HydrophobicContact CB-CG2 4.19Å; L575-I610 PolarHBondContact N-O 3.35Å; Y576-I610 HydrophobicContact CD2-CG2 3.49Å; Y576-I610 VanDerWaalsContact CD2-CG2 3.49Å; Y576-I610 HydrophobicContact CE2-CB 4.45Å; Y576-I610 HydrophobicContact CE2-CG2 3.26Å; Y576-I610 HydrophobicContact CG-CG2 4.3Å; I602-I610 HydrophobicContact CG1-CG2 4.43Å; I602-I610 HydrophobicContact CG2-CD1 4.09Å; I602-I610 HydrophobicContact CG2-CG2 4.49Å; I602-I610 WeakPolarHBondContact O-CD1 3.39Å; L605-I610 HydrophobicContact CB-CD1 4.37Å; L605-I610 HydrophobicContact CB-CG1 3.73Å; L605-I610 WeakPolarHBondContact O-CD1 3.47Å; N606-I610 WeakPolarHBondContact O-CD1 3.32Å; N606-I610 VanDerWaalsContact O-CG1 3.24Å; N606-I610 WeakPolarHBondContact O-CG1 3.45Å; N606-I610 PolarHBondContact O-N 3.44Å; N607-I610 PolarHBondContact O-N 3.24Å; N608-I610 VanDerWaalsContact C-N 3.26Å; N608-I610 PolarHBondContact O-N 3.01Å
611	M	80.8	Confident	69.5	Low	100 Å²	100	56.7 Å²	56.7	49%	0.493	30%	0.3	S	S	.	.	H	α-helix	trans	-76.5	-29.7	-175.6	-67.6	-61.8	-71.1	0	0	112.6	N574 Y576 N607 N608	N574-M611 WeakPolarHBondContact CA-O 3.38Å; N574-M611 WeakPolarHBondContact ND2-CE 3.16Å; N574-M611 PolarHBondContact ND2-SD 2.9Å; N574-M611 VanDerWaalsContact ND2-SD 3.44Å; Y576-M611 HydrophobicContact CD2-SD 4.16Å; N607-M611 WeakPolarHBondContact O-CB 3.36Å; N607-M611 WeakPolarHBondContact O-CG 3.48Å; N607-M611 PolarHBondContact O-N 3.38Å; N608-M611 PolarHBondContact O-N 3.15Å
612	S	79.6	Confident	68.7	Low	62 Å²	62	57.1 Å²	57.1	43%	0.434	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	58.7	178.1	66.8	0	0	0	0	112.4	N572 N608 N614	N572-S612 WeakPolarHBondContact OD1-CA 3.45Å; N572-S612 WeakPolarHBondContact OD1-CB 3.17Å; N608-S612 PolarHBondContact O-N 3.39Å; N608-S612 PolarHBondContact O-OG 3.06Å; N608-S612 VanDerWaalsContact O-OG 3.12Å; S612-N614 PolarHBondContact O-N 3.46Å
613	F	77.5	Confident	67.3	Low	17 Å²	17	60.9 Å²	60.9	8%	0.075	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-68.7	122.4	177.3	-171.7	-100.7	0	0	0	110.5	V573 L575 L601 L605 D609 L615 F618	V573-F613 HydrophobicContact CB-CB 4.28Å; V573-F613 WeakPolarHBondContact CB-O 3.19Å; V573-F613 PolarHBondContact N-O 2.89Å; V573-F613 WeakPolarHBondContact O-CA 3.43Å; V573-F613 VanDerWaalsContact O-CB 3.23Å; V573-F613 WeakPolarHBondContact O-CB 3.39Å; V573-F613 PolarHBondContact O-N 3.04Å; L575-F613 HydrophobicContact CD1-CB 4.2Å; L575-F613 HydrophobicContact CD1-CD2 3.93Å; L575-F613 HydrophobicContact CD1-CE2 4.49Å; L575-F613 HydrophobicContact CD1-CG 4.11Å; L575-F613 HydrophobicContact CD2-CB 3.75Å; L575-F613 HydrophobicContact CD2-CD1 3.76Å; L575-F613 HydrophobicContact CD2-CD2 4.27Å; L575-F613 HydrophobicContact CD2-CE1 4.36Å; L575-F613 HydrophobicContact CD2-CG 3.67Å; L575-F613 HydrophobicContact CG-CB 3.73Å; L575-F613 HydrophobicContact CG-CD2 4.33Å; L575-F613 HydrophobicContact CG-CG 3.99Å; L601-F613 HydrophobicContact CD2-CD2 4.34Å; L601-F613 HydrophobicContact CD2-CE2 3.53Å; L601-F613 HydrophobicContact CD2-CZ 3.61Å; L605-F613 HydrophobicContact CD1-CD2 3.79Å; L605-F613 HydrophobicContact CD1-CE2 3.76Å; D609-F613 WeakPolarHBondContact O-CA 3.44Å; D609-F613 VanDerWaalsContact O-CB 3.29Å; D609-F613 WeakPolarHBondContact O-CB 3.33Å; D609-F613 PolarHBondContact O-N 3.32Å; D609-F613 VanDerWaalsContact O-N 3.14Å; F613-L615 HydrophobicContact CD1-CB 4.44Å; F613-L615 HydrophobicContact CE1-CB 4.38Å; F613-L615 HydrophobicContact CE1-CD1 3.95Å; F613-F618 HydrophobicContact CE1-CB 3.87Å; F613-F618 HydrophobicContact CE1-CD1 4.07Å; F613-F618 AromaticContact CE1-CG 3.95Å; F613-F618 HydrophobicContact CE1-CG 3.95Å; F613-F618 HydrophobicContact CE2-CB 4.41Å; F613-F618 HydrophobicContact CE2-CD2 4.03Å; F613-F618 HydrophobicContact CE2-CE2 4.48Å; F613-F618 HydrophobicContact CE2-CG 4.22Å; F613-F618 HydrophobicContact CZ-CB 3.59Å; F613-F618 AromaticContact CZ-CD1 3.66Å; F613-F618 HydrophobicContact CZ-CD1 3.66Å; F613-F618 AromaticContact CZ-CD2 3.54Å; F613-F618 HydrophobicContact CZ-CD2 3.54Å; F613-F618 HydrophobicContact CZ-CE1 4.12Å; F613-F618 HydrophobicContact CZ-CE2 4.04Å; F613-F618 AromaticContact CZ-CG 3.32Å; F613-F618 HydrophobicContact CZ-CG 3.32Å; F613-F618 HydrophobicContact CZ-CZ 4.3Å
614	N	72.6	Confident	65.8	Low	27 Å²	27	59.8 Å²	59.8	14%	0.144	32%	0.316	C	S	.	.			trans	-95.9	103.7	175.8	-175.5	-35.8	0	0	0	108.7	N571 S612 D616 K617 F618	N571-N614 PolarHBondContact O-ND2 2.92Å; S612-N614 PolarHBondContact O-N 3.46Å; N614-D616 PolarHBondContact OD1-N 2.88Å; N614-K617 HydrophobicContact CB-CB 3.78Å; N614-K617 HydrophobicContact CB-CD 4.1Å; N614-K617 WeakPolarHBondContact O-CB 3.29Å; N614-K617 WeakPolarHBondContact OD1-CB 3.22Å; N614-K617 PolarHBondContact OD1-N 3.28Å; N614-F618 WeakPolarHBondContact O-CB 3.39Å; N614-F618 PolarHBondContact O-N 3.44Å
615	L	66.6	Low	64.9	Low	3 Å²	3	59 Å²	59	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-69.9	-41.1	-177.9	-176.5	73.1	0	0	0	111.9	F563 P570 F613 K617 F618 L619	F563-L615 HydrophobicContact CB-CD2 3.97Å; F563-L615 HydrophobicContact CD1-CD2 4.09Å; F563-L615 HydrophobicContact CD2-CD1 4.26Å; F563-L615 HydrophobicContact CD2-CD2 3.2Å; F563-L615 HydrophobicContact CD2-CG 4.31Å; F563-L615 HydrophobicContact CE1-CD2 4.45Å; F563-L615 HydrophobicContact CE2-CD1 3.85Å; F563-L615 HydrophobicContact CE2-CD2 3.58Å; F563-L615 HydrophobicContact CE2-CG 4.26Å; F563-L615 HydrophobicContact CG-CD2 3.48Å; F563-L615 VanDerWaalsContact CG-CD2 3.48Å; F563-L615 HydrophobicContact CZ-CD1 4.43Å; F563-L615 HydrophobicContact CZ-CD2 4.17Å; P570-L615 WeakPolarHBondContact O-CA 3.23Å; P570-L615 WeakPolarHBondContact O-CB 3.45Å; P570-L615 PolarHBondContact O-N 2.81Å; F613-L615 HydrophobicContact CD1-CB 4.44Å; F613-L615 HydrophobicContact CE1-CB 4.38Å; F613-L615 HydrophobicContact CE1-CD1 3.95Å; L615-K617 VanDerWaalsContact C-N 3.26Å; L615-K617 PolarHBondContact O-N 3.45Å; L615-F618 HydrophobicContact CD1-CD1 4.39Å; L615-F618 CarbonylContact O-C 3.57Å; L615-F618 WeakPolarHBondContact O-CA 3.14Å; L615-F618 WeakPolarHBondContact O-CB 3.41Å; L615-F618 PolarHBondContact O-N 2.98Å; L615-L619 HydrophobicContact CD1-CD1 4.16Å; L615-L619 HydrophobicContact CD1-CG 4.06Å; L615-L619 HydrophobicContact CD2-CD1 4.23Å; L615-L619 HydrophobicContact CG-CD1 3.87Å; L615-L619 HydrophobicContact CG-CG 4.08Å; L615-L619 WeakPolarHBondContact O-CB 3.43Å; L615-L619 WeakPolarHBondContact O-CG 3.2Å; L615-L619 PolarHBondContact O-N 3.14Å
616	D	63.1	Low	63.5	Low	81 Å²	81	59.8 Å²	59.8	43%	0.433	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-44.1	178	-69.6	-33.9	0	0	0	110.4	P570 N614 L619 A620	P570-D616 WeakPolarHBondContact CB-OD2 3.4Å; P570-D616 WeakPolarHBondContact CG-OD2 3.34Å; P570-D616 PolarHBondContact O-N 3.36Å; N614-D616 PolarHBondContact OD1-N 2.88Å; D616-L619 PolarHBondContact O-N 2.74Å; D616-A620 WeakPolarHBondContact O-CB 3.31Å; D616-A620 PolarHBondContact O-N 3.33Å
617	K	64.1	Low	61.8	Low	43 Å²	43	60.2 Å²	60.2	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-44.6	173.2	-178.1	-178.4	167.2	152.6	0	111.6	L16 A20 N614 L615 S621	L16-K617 VanDerWaalsContact C-CE 3.49Å; L16-K617 HydrophobicContact CB-CD 4.04Å; L16-K617 WeakPolarHBondContact O-CE 2.85Å; L16-K617 PolarHBondContact O-NZ 2.77Å; A20-K617 HydrophobicContact CB-CD 4.07Å; A20-K617 HydrophobicContact CB-CG 3.87Å; N614-K617 HydrophobicContact CB-CB 3.78Å; N614-K617 HydrophobicContact CB-CD 4.1Å; N614-K617 WeakPolarHBondContact O-CB 3.29Å; N614-K617 WeakPolarHBondContact OD1-CB 3.22Å; N614-K617 PolarHBondContact OD1-N 3.28Å; L615-K617 VanDerWaalsContact C-N 3.26Å; L615-K617 PolarHBondContact O-N 3.45Å; K617-S621 PolarHBondContact O-N 3.4Å; K617-S621 PolarHBondContact O-OG 3.48Å
618	F	65.7	Low	59.8	Low	30 Å²	30	62.3 Å²	62.3	13%	0.132	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-45.8	178.9	-176.6	-109	0	0	0	112.5	I552 L601 F613 N614 L615 S621 F622	I552-F618 HydrophobicContact CD1-CZ 4.1Å; I552-F618 HydrophobicContact CG2-CE1 3.41Å; I552-F618 VanDerWaalsContact CG2-CE1 3.41Å; I552-F618 HydrophobicContact CG2-CZ 3.66Å; L601-F618 HydrophobicContact CD1-CE2 4.49Å; L601-F618 HydrophobicContact CD1-CZ 4.05Å; L601-F618 HydrophobicContact CD2-CZ 4.49Å; F613-F618 HydrophobicContact CE1-CB 3.87Å; F613-F618 HydrophobicContact CE1-CD1 4.07Å; F613-F618 AromaticContact CE1-CG 3.95Å; F613-F618 HydrophobicContact CE1-CG 3.95Å; F613-F618 HydrophobicContact CE2-CB 4.41Å; F613-F618 HydrophobicContact CE2-CD2 4.03Å; F613-F618 HydrophobicContact CE2-CE2 4.48Å; F613-F618 HydrophobicContact CE2-CG 4.22Å; F613-F618 HydrophobicContact CZ-CB 3.59Å; F613-F618 AromaticContact CZ-CD1 3.66Å; F613-F618 HydrophobicContact CZ-CD1 3.66Å; F613-F618 AromaticContact CZ-CD2 3.54Å; F613-F618 HydrophobicContact CZ-CD2 3.54Å; F613-F618 HydrophobicContact CZ-CE1 4.12Å; F613-F618 HydrophobicContact CZ-CE2 4.04Å; F613-F618 AromaticContact CZ-CG 3.32Å; F613-F618 HydrophobicContact CZ-CG 3.32Å; F613-F618 HydrophobicContact CZ-CZ 4.3Å; N614-F618 WeakPolarHBondContact O-CB 3.39Å; N614-F618 PolarHBondContact O-N 3.44Å; L615-F618 HydrophobicContact CD1-CD1 4.39Å; L615-F618 CarbonylContact O-C 3.57Å; L615-F618 WeakPolarHBondContact O-CA 3.14Å; L615-F618 WeakPolarHBondContact O-CB 3.41Å; L615-F618 PolarHBondContact O-N 2.98Å; F618-S621 WeakPolarHBondContact O-CB 3.38Å; F618-S621 PolarHBondContact O-N 3.27Å; F618-S621 PolarHBondContact O-OG 2.95Å; F618-F622 AromaticContact CD1-CE2 3.96Å; F618-F622 HydrophobicContact CD1-CE2 3.96Å; F618-F622 AromaticContact CE1-CE2 3.61Å; F618-F622 HydrophobicContact CE1-CE2 3.61Å; F618-F622 HydrophobicContact CE1-CZ 4.2Å; F618-F622 HydrophobicContact CE2-CE2 4.19Å; F618-F622 HydrophobicContact CG-CE2 4.42Å; F618-F622 AromaticContact CZ-CE2 3.73Å; F618-F622 HydrophobicContact CZ-CE2 3.73Å; F618-F622 AromaticContact CZ-CZ 3.98Å; F618-F622 HydrophobicContact CZ-CZ 3.98Å; F618-F622 VanDerWaalsContact O-CD2 3.28Å; F618-F622 WeakPolarHBondContact O-CD2 3.45Å
619	L	62	Low	57.9	Low	10 Å²	10	63.2 Å²	63.2	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-72	-37.6	179.8	-67.1	-177.8	0	0	0	112.7	Q556 L560 L615 D616 S621 F622	Q556-L619 HydrophobicContact CB-CD2 4.24Å; Q556-L619 HydrophobicContact CG-CD1 4.46Å; Q556-L619 HydrophobicContact CG-CD2 3.75Å; L560-L619 HydrophobicContact CD1-CD1 3.28Å; L615-L619 HydrophobicContact CD1-CD1 4.16Å; L615-L619 HydrophobicContact CD1-CG 4.06Å; L615-L619 HydrophobicContact CD2-CD1 4.23Å; L615-L619 HydrophobicContact CG-CD1 3.87Å; L615-L619 HydrophobicContact CG-CG 4.08Å; L615-L619 WeakPolarHBondContact O-CB 3.43Å; L615-L619 WeakPolarHBondContact O-CG 3.2Å; L615-L619 PolarHBondContact O-N 3.14Å; D616-L619 PolarHBondContact O-N 2.74Å; L619-S621 PolarHBondContact O-N 3.36Å; L619-S621 VanDerWaalsContact O-N 3.16Å; L619-F622 HydrophobicContact CD2-CD2 4.5Å; L619-F622 PolarHBondContact O-N 2.93Å
620	A	59.2	Low	55.9	Low	49 Å²	49	67.6 Å²	67.6	41%	0.405	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-27.8	172	0	0	0	0	0	112.3	D616 F622 L623	D616-A620 WeakPolarHBondContact O-CB 3.31Å; D616-A620 PolarHBondContact O-N 3.33Å; A620-F622 VanDerWaalsContact C-N 3.27Å; A620-F622 PolarHBondContact O-N 2.75Å; A620-L623 PolarHBondContact O-N 3.43Å
621	S	53	Low	53.9	Low	19 Å²	19	70.7 Å²	70.7	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-28.6	176	-50.3	0	0	0	0	112.8	K617 F618 L619	K617-S621 PolarHBondContact O-N 3.4Å; K617-S621 PolarHBondContact O-OG 3.48Å; F618-S621 WeakPolarHBondContact O-CB 3.38Å; F618-S621 PolarHBondContact O-N 3.27Å; F618-S621 PolarHBondContact O-OG 2.95Å; L619-S621 PolarHBondContact O-N 3.36Å; L619-S621 VanDerWaalsContact O-N 3.16Å
622	F	52.8	Low	51.7	Low	28 Å²	28	73.2 Å²	73.2	12%	0.123	36%	0.36	C	S	.	.	H	α-helix	trans	-80.7	-30.7	179.4	-70.4	-84.3	0	0	0	113.2	I552 F553 F618 L619 A620 F624 V625 E626	I552-F622 HydrophobicContact CB-CZ 4.2Å; I552-F622 HydrophobicContact CG2-CE1 4.25Å; I552-F622 HydrophobicContact CG2-CE2 3.74Å; I552-F622 HydrophobicContact CG2-CZ 3.4Å; F553-F622 HydrophobicContact CB-CD1 4.31Å; F553-F622 HydrophobicContact CB-CE1 4.39Å; F553-F622 HydrophobicContact CD2-CB 4.11Å; F553-F622 AromaticContact CD2-CD1 3.8Å; F553-F622 HydrophobicContact CD2-CD1 3.8Å; F553-F622 HydrophobicContact CD2-CG 4.24Å; F553-F622 HydrophobicContact CE2-CB 4.39Å; F618-F622 AromaticContact CD1-CE2 3.96Å; F618-F622 HydrophobicContact CD1-CE2 3.96Å; F618-F622 AromaticContact CE1-CE2 3.61Å; F618-F622 HydrophobicContact CE1-CE2 3.61Å; F618-F622 HydrophobicContact CE1-CZ 4.2Å; F618-F622 HydrophobicContact CE2-CE2 4.19Å; F618-F622 HydrophobicContact CG-CE2 4.42Å; F618-F622 AromaticContact CZ-CE2 3.73Å; F618-F622 HydrophobicContact CZ-CE2 3.73Å; F618-F622 AromaticContact CZ-CZ 3.98Å; F618-F622 HydrophobicContact CZ-CZ 3.98Å; F618-F622 VanDerWaalsContact O-CD2 3.28Å; F618-F622 WeakPolarHBondContact O-CD2 3.45Å; L619-F622 HydrophobicContact CD2-CD2 4.5Å; L619-F622 PolarHBondContact O-N 2.93Å; A620-F622 VanDerWaalsContact C-N 3.27Å; A620-F622 PolarHBondContact O-N 2.75Å; F622-F624 PolarHBondContact O-N 3.12Å; F622-V625 WeakPolarHBondContact O-CB 3.44Å; F622-V625 PolarHBondContact O-N 2.91Å; F622-E626 PolarHBondContact O-N 3.06Å; F622-E626 VanDerWaalsContact O-N 3.12Å
623	L	47	Very low	49.6	Very low	99 Å²	99	73.1 Å²	73.1	52%	0.518	36%	0.359	S	S	.	.	H	α-helix	trans	-56.9	-35.5	175.9	-115.6	106.8	0	0	0	111.8	A620 V625 E626 I627	A620-L623 PolarHBondContact O-N 3.43Å; L623-V625 VanDerWaalsContact C-N 3.34Å; L623-V625 PolarHBondContact O-N 3.38Å; L623-E626 PolarHBondContact O-N 3.32Å; L623-I627 WeakPolarHBondContact O-CG1 3.46Å; L623-I627 PolarHBondContact O-N 2.94Å; L623-I627 VanDerWaalsContact O-N 3.12Å
624	F	40.6	Very low	47.7	Very low	162 Å²	162	79.2 Å²	79.2	71%	0.711	39%	0.389	S	S	*	.	H	α-helix	trans	-69.2	-31.6	178.1	-133.7	-85.9	0	0	0	113	F622 K628	F622-F624 PolarHBondContact O-N 3.12Å; F624-K628 PolarHBondContact O-N 3.35Å
625	V	41.2	Very low	46.2	Very low	70 Å²	70	86.2 Å²	86.2	42%	0.424	42%	0.419	S	S	.	.	H	α-helix	trans	-70.9	-38	175.2	-178.9	0	0	0	0	110.4	F622 L623 K628 K629	F622-V625 WeakPolarHBondContact O-CB 3.44Å; F622-V625 PolarHBondContact O-N 2.91Å; L623-V625 VanDerWaalsContact C-N 3.34Å; L623-V625 PolarHBondContact O-N 3.38Å; V625-K628 PolarHBondContact O-N 3.43Å; V625-K629 PolarHBondContact O-N 3.46Å; V625-K629 VanDerWaalsContact O-N 3.09Å
626	E	37.1	Very low	45	Very low	67 Å²	67	93.5 Å²	93.5	31%	0.313	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-42.7	177.5	-156.8	-171	161.7	0	0	112	F622 L623 K628 K629 R630	F622-E626 PolarHBondContact O-N 3.06Å; F622-E626 VanDerWaalsContact O-N 3.12Å; L623-E626 PolarHBondContact O-N 3.32Å; E626-K628 VanDerWaalsContact C-N 3.28Å; E626-K628 PolarHBondContact O-N 2.86Å; E626-K629 PolarHBondContact O-N 3.4Å; E626-R630 PolarHBondContact O-N 3.48Å; E626-R630 IonicContact OE1-CZ 3.31Å; E626-R630 IonicContact OE1-NE 2.67Å; E626-R630 PolarHBondContact OE1-NE 3.35Å; E626-R630 IonicContact OE1-NH2 3.11Å; E626-R630 PolarHBondContact OE1-NH2 3.09Å
627	I	33.8	Very low	43.5	Very low	94 Å²	94	100.8 Å²	100.8	48%	0.482	49%	0.485	S	S	.	.	H	α-helix	trans	-57.3	-43.6	174.2	-66.9	167.8	0	0	0	110.3	L623 K629 R630 V631	L623-I627 WeakPolarHBondContact O-CG1 3.46Å; L623-I627 PolarHBondContact O-N 2.94Å; L623-I627 VanDerWaalsContact O-N 3.12Å; I627-K629 PolarHBondContact O-N 2.86Å; I627-R630 PolarHBondContact O-N 3.12Å; I627-V631 HydrophobicContact CG2-CG2 4.29Å; I627-V631 WeakPolarHBondContact O-CB 3.4Å; I627-V631 VanDerWaalsContact O-CG2 3.25Å; I627-V631 WeakPolarHBondContact O-CG2 3.14Å; I627-V631 PolarHBondContact O-N 3.43Å
628	K	34.2	Very low	42.5	Very low	155 Å²	155	103.7 Å²	103.7	67%	0.674	50%	0.499	S	S	*	.	H	α-helix	trans	-66.3	-35.5	180	-151.4	178.7	-173.4	179.7	0	112.8	F624 V625 E626 K632	F624-K628 PolarHBondContact O-N 3.35Å; V625-K628 PolarHBondContact O-N 3.43Å; E626-K628 VanDerWaalsContact C-N 3.28Å; E626-K628 PolarHBondContact O-N 2.86Å; K628-K632 PolarHBondContact O-N 2.97Å; K628-K632 VanDerWaalsContact O-N 3.11Å
629	K	35.1	Very low	41.3	Very low	144 Å²	144	107.5 Å²	107.5	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-68.1	-44.3	172.8	-87.2	-174.4	175	178.8	0	111.8	V625 E626 I627 K632 S633	V625-K629 PolarHBondContact O-N 3.46Å; V625-K629 VanDerWaalsContact O-N 3.09Å; E626-K629 PolarHBondContact O-N 3.4Å; I627-K629 PolarHBondContact O-N 2.86Å; K629-K632 PolarHBondContact O-N 2.86Å; K629-S633 PolarHBondContact O-N 3.48Å
630	R	32.1	Very low	40.1	Very low	156 Å²	156	112.9 Å²	112.9	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-62.7	-42.8	177.2	-72	-173.9	-173.1	-165.8	3.7	111.8	E626 I627 K632 S633 M634	E626-R630 PolarHBondContact O-N 3.48Å; E626-R630 IonicContact OE1-CZ 3.31Å; E626-R630 IonicContact OE1-NE 2.67Å; E626-R630 PolarHBondContact OE1-NE 3.35Å; E626-R630 IonicContact OE1-NH2 3.11Å; E626-R630 PolarHBondContact OE1-NH2 3.09Å; I627-R630 PolarHBondContact O-N 3.12Å; R630-K632 PolarHBondContact O-N 2.91Å; R630-S633 PolarHBondContact O-N 3.18Å; R630-S633 VanDerWaalsContact O-N 3.13Å; R630-S633 PolarHBondContact O-OG 3.41Å; R630-M634 PolarHBondContact O-N 3.46Å
631	V	34.3	Very low	39	Very low	68 Å²	68	116.7 Å²	116.7	41%	0.412	55%	0.553	S	S	.	*	H	α-helix	trans	-61.1	-44.2	174.8	173.3	0	0	0	0	111.1	I627 S633 M634 F635	I627-V631 HydrophobicContact CG2-CG2 4.29Å; I627-V631 WeakPolarHBondContact O-CB 3.4Å; I627-V631 VanDerWaalsContact O-CG2 3.25Å; I627-V631 WeakPolarHBondContact O-CG2 3.14Å; I627-V631 PolarHBondContact O-N 3.43Å; V631-S633 VanDerWaalsContact C-N 3.31Å; V631-S633 PolarHBondContact O-N 2.94Å; V631-M634 PolarHBondContact O-N 2.88Å; V631-M634 VanDerWaalsContact O-N 3.16Å; V631-F635 HydrophobicContact CG1-CD2 3.85Å; V631-F635 HydrophobicContact CG1-CE2 3.6Å; V631-F635 VanDerWaalsContact O-CD2 3.23Å; V631-F635 WeakPolarHBondContact O-CD2 3.45Å; V631-F635 PolarHBondContact O-N 3.14Å
632	K	33.7	Very low	38.1	Very low	154 Å²	154	122.8 Å²	122.8	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-59.4	-39.9	173.2	-98.7	-169.8	170.6	-165.1	0	112.9	K628 K629 R630 M634 F635 L636	K628-K632 PolarHBondContact O-N 2.97Å; K628-K632 VanDerWaalsContact O-N 3.11Å; K629-K632 PolarHBondContact O-N 2.86Å; R630-K632 PolarHBondContact O-N 2.91Å; K632-M634 VanDerWaalsContact C-N 3.31Å; K632-M634 PolarHBondContact O-N 2.85Å; K632-F635 PolarHBondContact O-N 2.85Å; K632-L636 PolarHBondContact O-N 2.9Å
633	S	36.7	Very low	37.1	Very low	60 Å²	60	129.1 Å²	129.1	42%	0.42	61%	0.61	S	S	.	*	H	α-helix	trans	-70	-27	177	75.2	0	0	0	0	113.5	K629 R630 V631 F635 L636 K637	K629-S633 PolarHBondContact O-N 3.48Å; R630-S633 PolarHBondContact O-N 3.18Å; R630-S633 VanDerWaalsContact O-N 3.13Å; R630-S633 PolarHBondContact O-OG 3.41Å; V631-S633 VanDerWaalsContact C-N 3.31Å; V631-S633 PolarHBondContact O-N 2.94Å; S633-F635 VanDerWaalsContact C-N 3.35Å; S633-L636 PolarHBondContact O-N 3.17Å; S633-K637 PolarHBondContact O-N 3.18Å; S633-K637 VanDerWaalsContact O-N 3.12Å
634	M	36.8	Very low	36.4	Very low	145 Å²	145	131.3 Å²	131.3	71%	0.714	62%	0.616	S	S	*	*	H	α-helix	trans	-79.6	-14.3	174.3	-72.3	-178	92	0	0	113.5	R630 V631 K632 K637	R630-M634 PolarHBondContact O-N 3.46Å; V631-M634 PolarHBondContact O-N 2.88Å; V631-M634 VanDerWaalsContact O-N 3.16Å; K632-M634 VanDerWaalsContact C-N 3.31Å; K632-M634 PolarHBondContact O-N 2.85Å; M634-K637 VanDerWaalsContact O-OXT 3.05Å
635	F	42	Very low	36.1	Very low	173 Å²	173	128.9 Å²	128.9	76%	0.759	61%	0.609	S	S	*	*	H	α-helix	trans	-93.8	-12.5	169.6	-77.8	-70.1	0	0	0	112.8	V631 K632 S633	V631-F635 HydrophobicContact CG1-CD2 3.85Å; V631-F635 HydrophobicContact CG1-CE2 3.6Å; V631-F635 VanDerWaalsContact O-CD2 3.23Å; V631-F635 WeakPolarHBondContact O-CD2 3.45Å; V631-F635 PolarHBondContact O-N 3.14Å; K632-F635 PolarHBondContact O-N 2.85Å; S633-F635 VanDerWaalsContact C-N 3.35Å
636	L	40	Very low	35.7	Very low	156 Å²	156	133.8 Å²	133.8	82%	0.817	62%	0.624	S	S	*	*	H	α-helix	trans	-100.2	-7.9	175.2	-78.4	161.8	0	0	0	112.9	K632 S633	K632-L636 PolarHBondContact O-N 2.9Å; S633-L636 PolarHBondContact O-N 3.17Å
637	K	32.4	Very low	35.5	Very low	234 Å²	234	139.9 Å²	139.9	100%	1.017	65%	0.653	S	S	*	*			trans	-104.6	0	162.5	-75.6	-171.6	177.1	-173	0	108	S633 M634	S633-K637 PolarHBondContact O-N 3.18Å; S633-K637 VanDerWaalsContact O-N 3.12Å; M634-K637 VanDerWaalsContact O-OXT 3.05Å

Retrieved 637 of 637 residues in 143.1 ms (Link to these results)

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