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Isoform d of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development¹. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons². Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells³. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-5 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	43.6	Very low	73.7	Confident	230 Å²	230	102 Å²	102	100%	1.133	58%	0.575	S	S	*	*				0	7.7	0	-77.1	177.7	173.8	0	0	114.4
2	S	60.8	Low	75.3	Confident	102 Å²	102	104.3 Å²	104.3	71%	0.713	57%	0.574	S	S	*	*	H	α-helix	trans	-90.3	-34.2	-171.2	56.7	0	0	0	0	116.2	N6	S2-N6 PolarHBondContact O-N 3.27Å
3	S	61.8	Low	76.7	Confident	83 Å²	83	100.8 Å²	100.8	58%	0.58	55%	0.55	S	S	*	.	H	α-helix	trans	-74.4	-42.4	-171.8	67.8	0	0	0	0	113.9	N6 K7	S3-N6 PolarHBondContact O-N 3.25Å; S3-K7 PolarHBondContact O-N 2.67Å
4	S	64.4	Low	78	Confident	84 Å²	84	94 Å²	94	59%	0.587	51%	0.512	S	S	*	.	H	α-helix	trans	-67.1	-37.4	-180	-67.9	0	0	0	0	112.9	K8	S4-K8 PolarHBondContact O-N 3.09Å; S4-K8 VanDerWaalsContact O-N 3.16Å
5	S	70.2	Confident	79	Confident	74 Å²	74	96.9 Å²	96.9	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.6	-70	0	0	0	0	111.1	K7 K8 V9	S5-K7 PolarHBondContact O-N 3.48Å; S5-K8 PolarHBondContact O-N 2.8Å; S5-V9 WeakPolarHBondContact O-CG2 3.46Å; S5-V9 PolarHBondContact O-N 3.13Å
6	N	78.6	Confident	80	Confident	76 Å²	76	97.8 Å²	97.8	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-43.6	177.5	-162.1	15.5	0	0	0	111.7	S2 S3 K8 V9 Q10	S2-N6 PolarHBondContact O-N 3.27Å; S3-N6 PolarHBondContact O-N 3.25Å; N6-K8 VanDerWaalsContact C-N 3.34Å; N6-K8 PolarHBondContact O-N 3.33Å; N6-V9 PolarHBondContact O-N 2.94Å; N6-Q10 WeakPolarHBondContact O-CG 3.21Å; N6-Q10 PolarHBondContact O-N 3.3Å
7	K	79.7	Confident	81	Confident	101 Å²	101	94.5 Å²	94.5	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-58.1	-43.1	174.9	-74.7	-169.9	176.9	-156.9	0	112.8	S3 S5 Q10 V11 N292	S3-K7 PolarHBondContact O-N 2.67Å; S5-K7 PolarHBondContact O-N 3.48Å; K7-Q10 PolarHBondContact O-N 3.3Å; K7-V11 WeakPolarHBondContact O-CG2 3.1Å; K7-V11 PolarHBondContact O-N 3.39Å; K7-N292 PolarHBondContact NZ-OD1 3.07Å
8	K	84.3	Confident	81.9	Confident	163 Å²	163	90.4 Å²	90.4	71%	0.709	48%	0.477	S	S	*	.	H	α-helix	trans	-63.3	-41	177.1	-73.9	-174	179.9	-177	0	112.1	S4 S5 N6 V11 K12	S4-K8 PolarHBondContact O-N 3.09Å; S4-K8 VanDerWaalsContact O-N 3.16Å; S5-K8 PolarHBondContact O-N 2.8Å; N6-K8 VanDerWaalsContact C-N 3.34Å; N6-K8 PolarHBondContact O-N 3.33Å; K8-V11 PolarHBondContact O-N 3.18Å; K8-K12 WeakPolarHBondContact O-CB 3.4Å; K8-K12 PolarHBondContact O-N 2.67Å
9	V	89.5	Confident	82.7	Confident	86 Å²	86	89.5 Å²	89.5	52%	0.521	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-46.3	176	172.2	0	0	0	0	110.7	S5 N6 K12 F13 I302	S5-V9 WeakPolarHBondContact O-CG2 3.46Å; S5-V9 PolarHBondContact O-N 3.13Å; N6-V9 PolarHBondContact O-N 2.94Å; V9-K12 PolarHBondContact O-N 3.29Å; V9-F13 WeakPolarHBondContact O-CB 3.36Å; V9-F13 PolarHBondContact O-N 2.99Å; V9-I302 HydrophobicContact CG1-CD1 4.48Å
10	Q	88.7	Confident	83.4	Confident	21 Å²	21	92.1 Å²	92.1	10%	0.098	48%	0.479	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177.6	-66.4	-177.9	13.1	0	0	112.6	N6 K7 K12 F13 F14 W301 I302	N6-Q10 WeakPolarHBondContact O-CG 3.21Å; N6-Q10 PolarHBondContact O-N 3.3Å; K7-Q10 PolarHBondContact O-N 3.3Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 3.1Å; Q10-F13 PolarHBondContact O-N 3.23Å; Q10-F14 VanDerWaalsContact O-CD2 3.26Å; Q10-F14 WeakPolarHBondContact O-CD2 3.44Å; Q10-F14 PolarHBondContact O-N 3.07Å; Q10-W301 VanDerWaalsContact OE1-CD1 3.25Å; Q10-I302 HydrophobicContact CB-CD1 4.33Å; Q10-I302 HydrophobicContact CB-CG1 4.49Å; Q10-I302 HydrophobicContact CG-CD1 3.74Å; Q10-I302 HydrophobicContact CG-CG1 3.95Å
11	V	89.2	Confident	84	Confident	102 Å²	102	88 Å²	88	62%	0.618	46%	0.459	S	S	*	.	H	α-helix	trans	-60.8	-43.8	178.2	171.3	0	0	0	0	111.2	K7 K8 K15	K7-V11 WeakPolarHBondContact O-CG2 3.1Å; K7-V11 PolarHBondContact O-N 3.39Å; K8-V11 PolarHBondContact O-N 3.18Å; V11-K15 WeakPolarHBondContact O-CB 3.49Å; V11-K15 PolarHBondContact O-N 3.39Å
12	K	92.3	Very high	86.6	Confident	129 Å²	129	82.7 Å²	82.7	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-63	-47.3	177.5	-176.4	177.9	172.3	-177.8	0	111.5	K8 V9 Q10 F14 K15 E16	K8-K12 WeakPolarHBondContact O-CB 3.4Å; K8-K12 PolarHBondContact O-N 2.67Å; V9-K12 PolarHBondContact O-N 3.29Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 3.1Å; K12-F14 PolarHBondContact O-N 3.04Å; K12-K15 PolarHBondContact O-N 3.46Å; K12-E16 WeakPolarHBondContact CE-OE1 3.35Å; K12-E16 IonicContact NZ-OE1 3.77Å; K12-E16 PolarHBondContact O-N 3.3Å
13	F	94.3	Very high	88.3	Confident	60 Å²	60	82.2 Å²	82.2	26%	0.263	41%	0.413	S	S	.	.	H	α-helix	trans	-55.7	-51.8	178.5	175.9	-92.3	0	0	0	112	V9 Q10 K15 E16 F17 I302 Y305	V9-F13 WeakPolarHBondContact O-CB 3.36Å; V9-F13 PolarHBondContact O-N 2.99Å; Q10-F13 PolarHBondContact O-N 3.23Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 3.22Å; F13-E16 PolarHBondContact O-N 3.16Å; F13-F17 WeakPolarHBondContact O-CB 3.38Å; F13-F17 PolarHBondContact O-N 3.33Å; F13-I302 HydrophobicContact CB-CD1 4.06Å; F13-I302 HydrophobicContact CD1-CD1 4.26Å; F13-I302 HydrophobicContact CD1-CG1 3.9Å; F13-I302 HydrophobicContact CE1-CG1 4.39Å; F13-I302 HydrophobicContact CG-CD1 4.07Å; F13-I302 HydrophobicContact CG-CG1 4.24Å; F13-Y305 AromaticContact CE1-CD1 3.79Å; F13-Y305 HydrophobicContact CE1-CD1 3.79Å; F13-Y305 HydrophobicContact CE1-CE1 4.02Å; F13-Y305 AromaticContact CZ-CD1 3.91Å; F13-Y305 HydrophobicContact CZ-CD1 3.91Å; F13-Y305 AromaticContact CZ-CE1 3.83Å; F13-Y305 HydrophobicContact CZ-CE1 3.83Å
14	F	93.9	Very high	90	Very high	5 Å²	5	81.4 Å²	81.4	2%	0.022	40%	0.402	C	S	.	.	H	α-helix	trans	-67.6	-34.5	-179.3	-78.1	-69.2	0	0	0	112.2	Q10 K12 F17 L18 L151 W301 I302 Y305	Q10-F14 VanDerWaalsContact O-CD2 3.26Å; Q10-F14 WeakPolarHBondContact O-CD2 3.44Å; Q10-F14 PolarHBondContact O-N 3.07Å; K12-F14 PolarHBondContact O-N 3.04Å; F14-F17 PolarHBondContact O-N 3.4Å; F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 WeakPolarHBondContact O-CG 3.28Å; F14-L18 PolarHBondContact O-N 3.27Å; F14-L151 HydrophobicContact CD1-CD2 4.31Å; F14-L151 HydrophobicContact CE1-CD2 3.56Å; F14-L151 HydrophobicContact CE2-CD2 4.22Å; F14-L151 HydrophobicContact CZ-CD1 4.42Å; F14-L151 HydrophobicContact CZ-CD2 3.51Å; F14-W301 HydrophobicContact CE2-CB 3.68Å; F14-W301 HydrophobicContact CZ-CB 4.13Å; F14-I302 HydrophobicContact CE2-CG1 4.15Å; F14-Y305 HydrophobicContact CE1-CD2 4.36Å; F14-Y305 HydrophobicContact CE1-CG 4.23Å; F14-Y305 HydrophobicContact CZ-CG 4.49Å
15	K	93.7	Very high	91.6	Very high	138 Å²	138	77.5 Å²	77.5	60%	0.6	38%	0.375	S	S	*	.	H	α-helix	trans	-61.3	-51.1	175	-174.3	-179.9	176.4	-174.3	0	111.7	V11 K12 F13 F17 L18 D19	V11-K15 WeakPolarHBondContact O-CB 3.49Å; V11-K15 PolarHBondContact O-N 3.39Å; K12-K15 PolarHBondContact O-N 3.46Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 3.22Å; K15-F17 VanDerWaalsContact C-N 3.32Å; K15-F17 PolarHBondContact O-N 3.39Å; K15-L18 PolarHBondContact O-N 3.16Å; K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 2.78Å
16	E	95.8	Very high	92.9	Very high	111 Å²	111	78.2 Å²	78.2	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-40.9	179.1	-70.7	173	175.4	0	0	111.7	K12 F13 D19 K20	K12-E16 WeakPolarHBondContact CE-OE1 3.35Å; K12-E16 IonicContact NZ-OE1 3.77Å; K12-E16 PolarHBondContact O-N 3.3Å; F13-E16 PolarHBondContact O-N 3.16Å; E16-D19 PolarHBondContact O-N 2.93Å; E16-K20 PolarHBondContact O-N 3.07Å
17	F	96.3	Very high	93.7	Very high	41 Å²	41	79 Å²	79	18%	0.18	37%	0.37	C	S	.	.	H	α-helix	trans	-59.9	-49.8	174.4	169.5	-98.6	0	0	0	112.2	F13 F14 K15 D19 K20 A21 F99 Y155 Y305	F13-F17 WeakPolarHBondContact O-CB 3.38Å; F13-F17 PolarHBondContact O-N 3.33Å; F14-F17 PolarHBondContact O-N 3.4Å; K15-F17 VanDerWaalsContact C-N 3.32Å; K15-F17 PolarHBondContact O-N 3.39Å; F17-D19 VanDerWaalsContact C-N 3.33Å; F17-D19 PolarHBondContact O-N 2.96Å; F17-K20 PolarHBondContact O-N 3.43Å; F17-A21 HydrophobicContact CE1-CB 4.41Å; F17-A21 HydrophobicContact CZ-CB 4.33Å; F17-A21 VanDerWaalsContact O-CB 3.3Å; F17-A21 WeakPolarHBondContact O-CB 3.48Å; F17-A21 PolarHBondContact O-N 2.82Å; F17-F99 AromaticContact CE1-CD2 3.91Å; F17-F99 HydrophobicContact CE1-CD2 3.91Å; F17-F99 AromaticContact CE1-CE2 3.52Å; F17-F99 HydrophobicContact CE1-CE2 3.52Å; F17-F99 AromaticContact CZ-CD2 3.69Å; F17-F99 HydrophobicContact CZ-CD2 3.69Å; F17-F99 AromaticContact CZ-CE2 3.67Å; F17-F99 HydrophobicContact CZ-CE2 3.67Å; F17-Y155 AromaticContact CE1-CD2 3.99Å; F17-Y155 HydrophobicContact CE1-CD2 3.99Å; F17-Y155 HydrophobicContact CZ-CD2 4.22Å; F17-Y155 HydrophobicContact CZ-CE2 4.48Å; F17-Y305 HydrophobicContact CE1-CE2 4.42Å; F17-Y305 HydrophobicContact CE2-CE2 4.2Å; F17-Y305 AromaticContact CE2-CZ 3.88Å; F17-Y305 WeakPolarHBondContact CE2-OH 3.22Å; F17-Y305 HydrophobicContact CZ-CE2 4.06Å
18	L	97	Very high	94.5	Very high	22 Å²	22	77.9 Å²	77.9	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-67.9	-32.5	-178.1	-66.9	171.3	0	0	0	112.3	F14 K15 R22 E154 Y155	F14-L18 WeakPolarHBondContact O-CB 3.45Å; F14-L18 WeakPolarHBondContact O-CG 3.28Å; F14-L18 PolarHBondContact O-N 3.27Å; K15-L18 PolarHBondContact O-N 3.16Å; L18-R22 WeakPolarHBondContact O-CB 3.45Å; L18-R22 WeakPolarHBondContact O-CG 3.43Å; L18-R22 PolarHBondContact O-N 2.84Å; L18-E154 HydrophobicContact CD1-CG 3.91Å; L18-Y155 HydrophobicContact CD2-CD2 4.43Å
19	D	96.7	Very high	95.1	Very high	72 Å²	72	71.5 Å²	71.5	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-47.9	174.1	-72.8	-20.5	0	0	0	110.8	K15 E16 F17 R22 E23	K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 2.78Å; E16-D19 PolarHBondContact O-N 2.93Å; F17-D19 VanDerWaalsContact C-N 3.33Å; F17-D19 PolarHBondContact O-N 2.96Å; D19-R22 PolarHBondContact O-N 3.41Å; D19-R22 IonicContact OD1-CZ 2.81Å; D19-R22 IonicContact OD1-NE 3.36Å; D19-R22 IonicContact OD1-NH2 3.72Å; D19-R22 PolarHBondContact OD1-NH2 3.15Å; D19-E23 PolarHBondContact O-N 3.44Å
20	K	96.8	Very high	95.4	Very high	141 Å²	141	72.4 Å²	72.4	61%	0.613	33%	0.333	S	S	*	.	H	α-helix	trans	-64.6	-46.8	175.3	-176.7	178.9	176.3	-176.1	0	112.1	E16 F17 R22 E23 D24	E16-K20 PolarHBondContact O-N 3.07Å; F17-K20 PolarHBondContact O-N 3.43Å; K20-R22 PolarHBondContact O-N 3.18Å; K20-E23 PolarHBondContact O-N 2.67Å; K20-E23 VanDerWaalsContact O-N 3.07Å; K20-D24 PolarHBondContact O-N 3.03Å
21	A	97.2	Very high	95.7	Very high	8 Å²	8	76.7 Å²	76.7	7%	0.066	36%	0.356	C	S	.	.	H	α-helix	trans	-57.6	-35.4	-179.9	0	0	0	0	0	112.9	F17 F25 Y155	F17-A21 HydrophobicContact CE1-CB 4.41Å; F17-A21 HydrophobicContact CZ-CB 4.33Å; F17-A21 VanDerWaalsContact O-CB 3.3Å; F17-A21 WeakPolarHBondContact O-CB 3.48Å; F17-A21 PolarHBondContact O-N 2.82Å; A21-F25 WeakPolarHBondContact O-CB 2.93Å; A21-F25 PolarHBondContact O-N 2.77Å; A21-Y155 HydrophobicContact CB-CD2 4.24Å; A21-Y155 HydrophobicContact CB-CE2 3.8Å
22	R	97.4	Very high	95.8	Very high	118 Å²	118	74 Å²	74	45%	0.445	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-41.2	175.3	-84.1	-173.1	-67.9	-166.9	3.2	113.1	L18 D19 K20 K26 S158 L159	L18-R22 WeakPolarHBondContact O-CB 3.45Å; L18-R22 WeakPolarHBondContact O-CG 3.43Å; L18-R22 PolarHBondContact O-N 2.84Å; D19-R22 PolarHBondContact O-N 3.41Å; D19-R22 IonicContact OD1-CZ 2.81Å; D19-R22 IonicContact OD1-NE 3.36Å; D19-R22 IonicContact OD1-NH2 3.72Å; D19-R22 PolarHBondContact OD1-NH2 3.15Å; K20-R22 PolarHBondContact O-N 3.18Å; R22-K26 WeakPolarHBondContact O-CB 3.41Å; R22-K26 PolarHBondContact O-N 2.78Å; R22-S158 VanDerWaalsContact CD-O 3.26Å; R22-S158 WeakPolarHBondContact CD-O 3.49Å; R22-L159 HydrophobicContact CB-CD2 4.38Å; R22-L159 HydrophobicContact CG-CD2 3.7Å
23	E	97.2	Very high	95.8	Very high	91 Å²	91	70.4 Å²	70.4	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-48.1	177.4	-173.5	55.5	-145.4	0	0	110.4	D19 K20 F25 K26 Q27	D19-E23 PolarHBondContact O-N 3.44Å; K20-E23 PolarHBondContact O-N 2.67Å; K20-E23 VanDerWaalsContact O-N 3.07Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.32Å; E23-K26 WeakPolarHBondContact O-CB 3.27Å; E23-K26 PolarHBondContact O-N 3.15Å; E23-K26 VanDerWaalsContact O-N 3.07Å; E23-Q27 WeakPolarHBondContact O-CG 3.47Å; E23-Q27 PolarHBondContact O-N 3.03Å; E23-Q27 PolarHBondContact OE1-NE2 2.82Å
24	D	97.4	Very high	95.6	Very high	67 Å²	67	71.7 Å²	71.7	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-38.8	177.9	-66	-19.8	0	0	0	111.9	K20 R28	K20-D24 PolarHBondContact O-N 3.03Å; D24-R28 WeakPolarHBondContact O-CG 3.42Å; D24-R28 PolarHBondContact O-N 3.31Å; D24-R28 PolarHBondContact O-NE 3.37Å
25	F	97.8	Very high	95.6	Very high	2 Å²	2	75.5 Å²	75.5	1%	0.009	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-45.1	173.4	172.3	-96.3	0	0	0	111.5	A21 E23 Q27 R28 W29 A96 I97 L159 L161	A21-F25 WeakPolarHBondContact O-CB 2.93Å; A21-F25 PolarHBondContact O-N 2.77Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.32Å; F25-Q27 VanDerWaalsContact C-N 3.35Å; F25-Q27 PolarHBondContact O-N 3.47Å; F25-R28 PolarHBondContact O-N 3.27Å; F25-W29 HydrophobicContact CD1-CB 4.44Å; F25-W29 HydrophobicContact CE1-CB 4.13Å; F25-W29 HydrophobicContact CE1-CD2 4.26Å; F25-W29 HydrophobicContact CE1-CE3 4.26Å; F25-W29 HydrophobicContact CE1-CG 4.21Å; F25-W29 AromaticContact CE2-CE3 3.9Å; F25-W29 HydrophobicContact CE2-CE3 3.9Å; F25-W29 HydrophobicContact CZ-CB 4.28Å; F25-W29 AromaticContact CZ-CD2 3.88Å; F25-W29 HydrophobicContact CZ-CD2 3.88Å; F25-W29 AromaticContact CZ-CE3 3.44Å; F25-W29 HydrophobicContact CZ-CE3 3.44Å; F25-W29 VanDerWaalsContact CZ-CE3 3.44Å; F25-W29 HydrophobicContact CZ-CG 4.24Å; F25-W29 HydrophobicContact CZ-CZ3 4.09Å; F25-W29 WeakPolarHBondContact O-CB 3.44Å; F25-W29 PolarHBondContact O-N 3.4Å; F25-A96 HydrophobicContact CD2-CB 3.64Å; F25-A96 WeakPolarHBondContact CD2-O 3.22Å; F25-A96 HydrophobicContact CE2-CB 3.52Å; F25-A96 HydrophobicContact CZ-CB 4.41Å; F25-I97 HydrophobicContact CD2-CG2 4.27Å; F25-I97 HydrophobicContact CE2-CG2 4.13Å; F25-L159 HydrophobicContact CB-CD1 4.15Å; F25-L159 HydrophobicContact CB-CD2 3.7Å; F25-L159 HydrophobicContact CD1-CB 4.2Å; F25-L159 HydrophobicContact CD1-CD1 4.43Å; F25-L159 HydrophobicContact CD1-CD2 3.99Å; F25-L159 HydrophobicContact CD1-CG 4.43Å; F25-L159 HydrophobicContact CD2-CD1 3.6Å; F25-L159 HydrophobicContact CD2-CD2 4.46Å; F25-L159 HydrophobicContact CD2-CG 4.42Å; F25-L159 HydrophobicContact CE1-CB 4.19Å; F25-L159 HydrophobicContact CE2-CD1 4.07Å; F25-L159 HydrophobicContact CG-CB 4.39Å; F25-L159 HydrophobicContact CG-CD1 3.8Å; F25-L159 HydrophobicContact CG-CD2 3.8Å; F25-L159 HydrophobicContact CG-CG 4.2Å; F25-L159 HydrophobicContact CZ-CB 4.38Å; F25-L161 HydrophobicContact CE2-CD1 3.94Å; F25-L161 HydrophobicContact CZ-CD1 4.12Å; F25-L161 HydrophobicContact CZ-CG 4.46Å
26	K	97	Very high	95.7	Very high	89 Å²	89	71.8 Å²	71.8	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-46	-179.3	-175.2	-174.5	172.8	-164.4	0	111.1	R22 E23 R28 W29 E30	R22-K26 WeakPolarHBondContact O-CB 3.41Å; R22-K26 PolarHBondContact O-N 2.78Å; E23-K26 WeakPolarHBondContact O-CB 3.27Å; E23-K26 PolarHBondContact O-N 3.15Å; E23-K26 VanDerWaalsContact O-N 3.07Å; K26-R28 PolarHBondContact O-N 2.87Å; K26-W29 PolarHBondContact O-N 3.32Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 HydrophobicContact CG-CG 4.42Å; K26-E30 WeakPolarHBondContact CG-OE1 3.23Å; K26-E30 WeakPolarHBondContact O-CB 3.25Å; K26-E30 WeakPolarHBondContact O-CG 3.29Å; K26-E30 PolarHBondContact O-N 3Å
27	Q	96.8	Very high	95.8	Very high	92 Å²	92	67.4 Å²	67.4	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-57.5	-47.3	177.7	-67.4	-61.8	-28.4	0	0	111.8	E23 F25 N31	E23-Q27 WeakPolarHBondContact O-CG 3.47Å; E23-Q27 PolarHBondContact O-N 3.03Å; E23-Q27 PolarHBondContact OE1-NE2 2.82Å; F25-Q27 VanDerWaalsContact C-N 3.35Å; F25-Q27 PolarHBondContact O-N 3.47Å; Q27-N31 WeakPolarHBondContact O-CB 3.48Å; Q27-N31 PolarHBondContact O-N 3.44Å; Q27-N31 PolarHBondContact O-ND2 3.33Å
28	R	96.6	Very high	95.8	Very high	77 Å²	77	68.1 Å²	68.1	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-71.5	-29.9	178.2	-68.8	-176.8	-82.2	170	-13.4	113.8	D24 F25 K26 N31 A96 I97 D98	D24-R28 WeakPolarHBondContact O-CG 3.42Å; D24-R28 PolarHBondContact O-N 3.31Å; D24-R28 PolarHBondContact O-NE 3.37Å; F25-R28 PolarHBondContact O-N 3.27Å; K26-R28 PolarHBondContact O-N 2.87Å; R28-N31 CarbonylContact O-C 3.55Å; R28-A96 HydrophobicContact CB-CB 4.08Å; R28-A96 PolarHBondContact NE-O 3.42Å; R28-A96 PolarHBondContact NH1-O 3.45Å; R28-A96 PolarHBondContact NH2-O 2.9Å; R28-I97 PolarHBondContact NH1-O 3.3Å; R28-D98 VanDerWaalsContact NH2-CB 3.3Å
29	W	96.4	Very high	95.7	Very high	30 Å²	30	68.1 Å²	68.1	11%	0.114	34%	0.344	C	S	.	.	H	α-helix	trans	-73.8	-36.6	178.5	-177.3	-87.4	0	0	0	112.9	F25 K26 R92 I93 A96 R189	F25-W29 HydrophobicContact CD1-CB 4.44Å; F25-W29 HydrophobicContact CE1-CB 4.13Å; F25-W29 HydrophobicContact CE1-CD2 4.26Å; F25-W29 HydrophobicContact CE1-CE3 4.26Å; F25-W29 HydrophobicContact CE1-CG 4.21Å; F25-W29 AromaticContact CE2-CE3 3.9Å; F25-W29 HydrophobicContact CE2-CE3 3.9Å; F25-W29 HydrophobicContact CZ-CB 4.28Å; F25-W29 AromaticContact CZ-CD2 3.88Å; F25-W29 HydrophobicContact CZ-CD2 3.88Å; F25-W29 AromaticContact CZ-CE3 3.44Å; F25-W29 HydrophobicContact CZ-CE3 3.44Å; F25-W29 VanDerWaalsContact CZ-CE3 3.44Å; F25-W29 HydrophobicContact CZ-CG 4.24Å; F25-W29 HydrophobicContact CZ-CZ3 4.09Å; F25-W29 WeakPolarHBondContact O-CB 3.44Å; F25-W29 PolarHBondContact O-N 3.4Å; K26-W29 PolarHBondContact O-N 3.32Å; W29-R92 HydrophobicContact CD2-CG 4.35Å; W29-R92 HydrophobicContact CE3-CG 3.94Å; W29-R92 HydrophobicContact CH2-CB 4.35Å; W29-R92 HydrophobicContact CH2-CG 3.84Å; W29-R92 HydrophobicContact CZ2-CG 4.25Å; W29-R92 HydrophobicContact CZ3-CB 4.21Å; W29-R92 HydrophobicContact CZ3-CG 3.67Å; W29-R92 PolarHBondContact O-NH2 2.96Å; W29-I93 HydrophobicContact CH2-CG1 4.16Å; W29-I93 HydrophobicContact CZ3-CG1 3.75Å; W29-A96 HydrophobicContact CB-CB 4.31Å; W29-A96 HydrophobicContact CE3-CB 4.03Å; W29-R189 HydrophobicContact CH2-CB 4.36Å; W29-R189 HydrophobicContact CZ2-CB 4.41Å; W29-R189 VanDerWaalsContact NE1-NH1 3.13Å
30	E	95.7	Very high	95.7	Very high	105 Å²	105	70.6 Å²	70.6	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-81.3	-29.1	178	-70.2	175.8	179.1	0	0	111.9	K26 P32	K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 HydrophobicContact CG-CG 4.42Å; K26-E30 WeakPolarHBondContact CG-OE1 3.23Å; K26-E30 WeakPolarHBondContact O-CB 3.25Å; K26-E30 WeakPolarHBondContact O-CG 3.29Å; K26-E30 PolarHBondContact O-N 3Å; E30-P32 VanDerWaalsContact C-CD 3.49Å; E30-P32 VanDerWaalsContact O-CD 3.28Å; E30-P32 WeakPolarHBondContact O-CD 3.33Å
31	N	94.8	Very high	95.7	Very high	110 Å²	110	66.7 Å²	66.7	59%	0.588	34%	0.343	S	S	*	.	S	Bend	trans	-119.9	73.7	179.4	-54.8	-78	0	0	0	111	Q27 R28 A33	Q27-N31 WeakPolarHBondContact O-CB 3.48Å; Q27-N31 PolarHBondContact O-N 3.44Å; Q27-N31 PolarHBondContact O-ND2 3.33Å; R28-N31 CarbonylContact O-C 3.55Å; N31-A33 PolarHBondContact O-N 2.97Å
32	P	91.7	Very high	95.7	Very high	47 Å²	47	66.6 Å²	66.6	31%	0.305	34%	0.341	S	S	.	.			trans	-67.5	127	-176.8	30.4	-37.1	0	0	0	111.4	E30	E30-P32 VanDerWaalsContact C-CD 3.49Å; E30-P32 VanDerWaalsContact O-CD 3.28Å; E30-P32 WeakPolarHBondContact O-CD 3.33Å
33	A	91.7	Very high	95.7	Very high	53 Å²	53	64.6 Å²	64.6	44%	0.438	34%	0.339	S	S	.	.			trans	-69.5	138.9	172.2	0	0	0	0	0	110.3	N31 T36 K91 Q95	N31-A33 PolarHBondContact O-N 2.97Å; A33-T36 HydrophobicContact CB-CG2 3.8Å; A33-K91 PolarHBondContact O-NZ 2.86Å; A33-Q95 PolarHBondContact O-OE1 3.29Å
34	Q	90.5	Very high	95.5	Very high	87 Å²	87	64.6 Å²	64.6	41%	0.407	34%	0.335	S	S	.	.			trans	-129.6	146.8	-179.8	-70.3	177.2	-7.1	0	0	110	T36 E364	Q34-T36 PolarHBondContact O-N 2.95Å; Q34-E364 PolarHBondContact NE2-O 3.45Å; Q34-E364 VanDerWaalsContact NE2-O 3.13Å
35	N	93.3	Very high	95.3	Very high	84 Å²	84	65.3 Å²	65.3	45%	0.449	34%	0.338	S	S	.	.			trans	45.2	56.9	176.6	-60.8	-43.5	0	0	0	113.4	A37 S108 K110	N35-A37 VanDerWaalsContact C-N 3.26Å; N35-A37 PolarHBondContact O-N 3.3Å; N35-S108 WeakPolarHBondContact CA-O 3.27Å; N35-S108 PolarHBondContact N-O 3.32Å; N35-K110 PolarHBondContact OD1-N 3.17Å
36	T	96.6	Very high	95	Very high	61 Å²	61	68 Å²	68	37%	0.374	35%	0.35	S	S	.	.			trans	-82.6	-0.7	-175.4	54.5	0	0	0	0	114.2	A33 Q34 F107 S108	A33-T36 HydrophobicContact CB-CG2 3.8Å; Q34-T36 PolarHBondContact O-N 2.95Å; T36-F107 VanDerWaalsContact OG1-CA 3.3Å; T36-F107 WeakPolarHBondContact OG1-CA 3.48Å; T36-S108 PolarHBondContact N-O 3.03Å; T36-S108 PolarHBondContact OG1-N 3.46Å; T36-S108 PolarHBondContact OG1-O 3.31Å
37	A	97.3	Very high	94.8	Very high	18 Å²	18	64.5 Å²	64.5	15%	0.149	34%	0.336	C	S	.	.	S	Bend	trans	-160.4	-177.3	173.8	0	0	0	0	0	109.6	N35 F42 F107 F109	N35-A37 VanDerWaalsContact C-N 3.26Å; N35-A37 PolarHBondContact O-N 3.3Å; A37-F42 HydrophobicContact CB-CE2 3.82Å; A37-F42 HydrophobicContact CB-CZ 4.1Å; A37-F107 HydrophobicContact CB-CB 3.92Å; A37-F107 HydrophobicContact CB-CD1 3.89Å; A37-F107 HydrophobicContact CB-CG 4.02Å; A37-F109 HydrophobicContact CB-CD1 3.88Å; A37-F109 HydrophobicContact CB-CE1 4.09Å; A37-F109 WeakPolarHBondContact O-CB 3.49Å; A37-F109 VanDerWaalsContact O-CG 3.27Å; A37-F109 WeakPolarHBondContact O-CG 3.47Å
38	C	96.1	Very high	94.4	Very high	56 Å²	56	60.9 Å²	60.9	38%	0.378	32%	0.319	S	S	.	.			trans	-132.4	167.7	168.3	72.7	0	0	0	0	111.5	D40 D41 F42	C38-D40 PolarHBondContact O-N 3.47Å; C38-D41 PolarHBondContact N-OD2 2.9Å; C38-D41 WeakPolarHBondContact O-CB 3.24Å; C38-D41 PolarHBondContact O-N 2.96Å; C38-D41 PolarHBondContact SG-OD2 3.46Å; C38-F42 VanDerWaalsContact O-CD2 3.29Å; C38-F42 WeakPolarHBondContact O-CD2 3.48Å; C38-F42 WeakPolarHBondContact O-CE2 3.28Å
39	L	95	Very high	93.9	Very high	23 Å²	23	58.2 Å²	58.2	12%	0.12	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.3	-34.7	-176.4	-171.6	61	0	0	0	112.4	D41 F42 M70 F109 Y116	L39-D41 PolarHBondContact O-N 3.02Å; L39-F42 PolarHBondContact O-N 2.81Å; L39-M70 HydrophobicContact CD1-CE 4.22Å; L39-M70 HydrophobicContact CD1-SD 3.89Å; L39-F109 HydrophobicContact CB-CE2 3.96Å; L39-F109 HydrophobicContact CB-CZ 4.43Å; L39-F109 HydrophobicContact CD1-CE2 4.45Å; L39-F109 HydrophobicContact CD1-CZ 4.42Å; L39-F109 VanDerWaalsContact N-CE2 3.29Å; L39-Y116 HydrophobicContact CD1-CD1 4.11Å; L39-Y116 HydrophobicContact CD1-CE1 3.63Å; L39-Y116 HydrophobicContact CD2-CE1 4.37Å
40	D	95.9	Very high	93.5	Very high	124 Å²	124	60.5 Å²	60.5	66%	0.663	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.1	-12.4	-178.4	-70.8	-23.9	0	0	0	113.5	C38 F42 K62	C38-D40 PolarHBondContact O-N 3.47Å; D40-F42 PolarHBondContact O-N 3.12Å; D40-K62 WeakPolarHBondContact O-CD 3.38Å; D40-K62 VanDerWaalsContact O-CE 3.32Å; D40-K62 WeakPolarHBondContact O-CE 3.4Å; D40-K62 PolarHBondContact O-NZ 2.88Å
41	D	97.6	Very high	92.8	Very high	59 Å²	59	58 Å²	58	32%	0.316	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-73	-8.3	174.3	-61.7	-38.7	0	0	0	112.7	C38 L39 H61 K62	C38-D41 PolarHBondContact N-OD2 2.9Å; C38-D41 WeakPolarHBondContact O-CB 3.24Å; C38-D41 PolarHBondContact O-N 2.96Å; C38-D41 PolarHBondContact SG-OD2 3.46Å; L39-D41 PolarHBondContact O-N 3.02Å; D41-H61 PolarHBondContact O-CD2 3.45Å; D41-K62 WeakPolarHBondContact O-CB 3.45Å; D41-K62 WeakPolarHBondContact O-CG 3.25Å; D41-K62 PolarHBondContact O-N 2.84Å
42	F	97.8	Very high	92.1	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.022	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.2	-170.9	-58.7	-86.1	0	0	0	113.3	A37 C38 L39 D40 V59 K60 H61 Y68 M70 F107 F109 V118	A37-F42 HydrophobicContact CB-CE2 3.82Å; A37-F42 HydrophobicContact CB-CZ 4.1Å; C38-F42 VanDerWaalsContact O-CD2 3.29Å; C38-F42 WeakPolarHBondContact O-CD2 3.48Å; C38-F42 WeakPolarHBondContact O-CE2 3.28Å; L39-F42 PolarHBondContact O-N 2.81Å; D40-F42 PolarHBondContact O-N 3.12Å; F42-V59 HydrophobicContact CB-CB 4.15Å; F42-V59 HydrophobicContact CB-CG2 4.41Å; F42-V59 HydrophobicContact CD1-CB 4.37Å; F42-V59 HydrophobicContact CD1-CG2 3.77Å; F42-V59 HydrophobicContact CE1-CG2 4.48Å; F42-V59 HydrophobicContact CG-CG2 4.33Å; F42-K60 CarbonylContact C-O 3.48Å; F42-K60 WeakPolarHBondContact CA-O 3.42Å; F42-H61 HydrophobicContact CD1-CB 3.98Å; F42-H61 HydrophobicContact CE1-CB 3.81Å; F42-H61 AromaticContact CE1-CD2 3.65Å; F42-H61 AromaticContact CZ-CD2 3.89Å; F42-Y68 HydrophobicContact CE1-CD2 4.31Å; F42-M70 HydrophobicContact CB-CE 3.88Å; F42-M70 HydrophobicContact CD1-CE 4.17Å; F42-M70 HydrophobicContact CD2-CE 3.47Å; F42-M70 VanDerWaalsContact CD2-CE 3.47Å; F42-M70 HydrophobicContact CE2-CE 4.02Å; F42-M70 HydrophobicContact CG-CE 3.56Å; F42-F107 HydrophobicContact CE1-CD2 4.12Å; F42-F107 HydrophobicContact CE1-CE2 4.24Å; F42-F107 HydrophobicContact CZ-CB 4.49Å; F42-F107 AromaticContact CZ-CD2 3.7Å; F42-F107 HydrophobicContact CZ-CD2 3.7Å; F42-F107 HydrophobicContact CZ-CE2 4.1Å; F42-F107 HydrophobicContact CZ-CG 4.15Å; F42-F109 HydrophobicContact CD2-CE1 4.37Å; F42-F109 HydrophobicContact CD2-CZ 4.32Å; F42-F109 AromaticContact CE2-CE1 3.76Å; F42-F109 HydrophobicContact CE2-CE1 3.76Å; F42-F109 HydrophobicContact CE2-CZ 4.16Å; F42-V118 HydrophobicContact CE1-CG1 3.95Å; F42-V118 HydrophobicContact CE1-CG2 4.46Å; F42-V118 HydrophobicContact CE2-CG2 4.32Å; F42-V118 HydrophobicContact CZ-CG1 4.2Å; F42-V118 HydrophobicContact CZ-CG2 4.03Å
43	D	96.7	Very high	91.8	Very high	76 Å²	76	56.5 Å²	56.5	41%	0.406	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.8	163.4	-62.9	-42.1	0	0	0	109	V59 K60 K62	D43-V59 CarbonylContact O-C 3.58Å; D43-V59 WeakPolarHBondContact O-CA 3.43Å; D43-V59 WeakPolarHBondContact O-CB 3.3Å; D43-K60 HydrophobicContact CB-CB 4.37Å; D43-K60 PolarHBondContact N-O 3.09Å; D43-K60 PolarHBondContact O-N 3Å; D43-K62 WeakPolarHBondContact OD1-CE 3.44Å; D43-K62 IonicContact OD1-NZ 2.62Å
44	R	93.9	Very high	91.6	Very high	91 Å²	91	54.9 Å²	54.9	34%	0.343	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.8	179.7	-64.5	159.7	-68.4	-171.9	-3.9	109.5	M57 V59 T348	R44-M57 HydrophobicContact CB-CE 4.01Å; R44-V59 HydrophobicContact CG-CG1 4.33Å; R44-T348 PolarHBondContact NH1-O 3.19Å
45	I	93.2	Very high	91.6	Very high	82 Å²	82	51.6 Å²	51.6	42%	0.421	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-63	-169.3	-60.5	164.9	0	0	0	111.8	L58 K60 Y67	I45-L58 HydrophobicContact CB-CB 4.44Å; I45-L58 HydrophobicContact CB-CD2 4.35Å; I45-L58 HydrophobicContact CB-CG 4.29Å; I45-L58 WeakPolarHBondContact CB-O 3.33Å; I45-L58 HydrophobicContact CD1-CD2 4.34Å; I45-L58 HydrophobicContact CD1-CG 4.18Å; I45-L58 HydrophobicContact CG2-CD2 4.14Å; I45-L58 PolarHBondContact N-O 3.28Å; I45-K60 HydrophobicContact CD1-CB 3.88Å; I45-Y67 HydrophobicContact CD1-CD1 3.72Å; I45-Y67 HydrophobicContact CD1-CE1 3.45Å; I45-Y67 VanDerWaalsContact CD1-CE1 3.45Å
46	K	91.1	Very high	91.6	Very high	59 Å²	59	49.8 Å²	49.8	26%	0.257	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	141.9	-172.1	-179.6	177.5	170.4	-175.6	0	110.7	L48 M57 L58 T337	K46-L48 PolarHBondContact O-N 3.09Å; K46-M57 CarbonylContact O-C 3.59Å; K46-M57 VanDerWaalsContact O-CA 3.31Å; K46-M57 WeakPolarHBondContact O-CA 3.48Å; K46-L58 PolarHBondContact N-O 2.82Å; K46-L58 PolarHBondContact O-N 3.3Å; K46-T337 HydrophobicContact CD-CG2 4.29Å; K46-T337 WeakPolarHBondContact CD-OG1 3.36Å; K46-T337 PolarHBondContact NZ-OG1 3.22Å
47	T	91.3	Very high	91.5	Very high	16 Å²	16	47 Å²	47	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.3	168.7	-58	0	0	0	0	109.8	T50 R55 V56	T47-T50 HydrophobicContact CG2-CG2 4.07Å; T47-R55 HydrophobicContact CG2-CB 4.3Å; T47-V56 CarbonylContact C-O 3.56Å
48	L	89	Confident	91.4	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-25.1	178.2	-64.4	176.4	0	0	0	112.5	K46 V56 L58 A69 F121 T337 F340	K46-L48 PolarHBondContact O-N 3.09Å; L48-V56 HydrophobicContact CB-CG1 4.34Å; L48-V56 HydrophobicContact CD1-CG1 4.26Å; L48-V56 PolarHBondContact N-O 3.48Å; L48-L58 HydrophobicContact CD1-CB 4.12Å; L48-L58 HydrophobicContact CD2-CB 4.03Å; L48-L58 HydrophobicContact CG-CB 4.05Å; L48-A69 HydrophobicContact CD1-CB 4.11Å; L48-F121 HydrophobicContact CD1-CD2 3.85Å; L48-F121 HydrophobicContact CD1-CE2 3.66Å; L48-F121 HydrophobicContact CD2-CE2 4.04Å; L48-T337 HydrophobicContact CD2-CG2 3.58Å; L48-F340 HydrophobicContact CB-CD1 3.95Å; L48-F340 HydrophobicContact CB-CE1 4.24Å; L48-F340 HydrophobicContact CD1-CE1 4.45Å; L48-F340 HydrophobicContact CD2-CB 4.4Å; L48-F340 HydrophobicContact CD2-CD1 4.07Å; L48-F340 HydrophobicContact CD2-CD2 4.01Å; L48-F340 HydrophobicContact CD2-CE1 4.35Å; L48-F340 HydrophobicContact CD2-CE2 4.3Å; L48-F340 HydrophobicContact CD2-CG 3.88Å; L48-F340 HydrophobicContact CD2-CZ 4.46Å; L48-F340 HydrophobicContact CG-CD1 4.49Å
49	G	86.8	Confident	91.5	Very high	22 Å²	22	43.5 Å²	43.5	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	160.1	175.7	0	0	0	0	0	112.1	R55 V56	G49-R55 WeakPolarHBondContact O-CA 3.25Å; G49-V56 PolarHBondContact N-O 3.32Å; G49-V56 PolarHBondContact O-N 3.5Å
50	T	87	Confident	91.6	Very high	78 Å²	78	45.7 Å²	45.7	48%	0.479	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152	178.9	55	0	0	0	0	111.6	T47 R55 E343	T47-T50 HydrophobicContact CG2-CG2 4.07Å; T50-R55 HydrophobicContact CG2-CB 4.17Å; T50-E343 PolarHBondContact N-OE2 3.01Å; T50-E343 PolarHBondContact OG1-OE2 3.48Å
51	G	81.8	Confident	91.7	Very high	51 Å²	51	40.6 Å²	40.6	53%	0.526	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	177.3	-179.8	0	0	0	0	0	112	F53 G54	G51-F53 PolarHBondContact O-N 2.78Å; G51-F53 VanDerWaalsContact O-N 3.16Å; G51-G54 PolarHBondContact N-O 3.21Å; G51-G54 PolarHBondContact O-N 3.37Å; G51-G54 VanDerWaalsContact O-O 3.06Å
52	S	80.4	Confident	91.8	Very high	79 Å²	79	43.1 Å²	43.1	55%	0.552	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.3	-174.2	46.7	0	0	0	0	114.9
53	F	84.8	Confident	91.7	Very high	47 Å²	47	51.4 Å²	51.4	21%	0.206	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-2.5	-175.9	-35.5	-70.6	0	0	0	113.4	G51 L73 D74 K77 V78 L81 Q83	G51-F53 PolarHBondContact O-N 2.78Å; G51-F53 VanDerWaalsContact O-N 3.16Å; F53-L73 HydrophobicContact CB-CD2 4.2Å; F53-D74 PolarHBondContact O-N 3.42Å; F53-K77 HydrophobicContact CB-CB 4.49Å; F53-V78 HydrophobicContact CB-CG2 4.04Å; F53-L81 HydrophobicContact CD1-CB 3.93Å; F53-L81 HydrophobicContact CD1-CD1 3.44Å; F53-L81 VanDerWaalsContact CD1-CD1 3.44Å; F53-L81 HydrophobicContact CD1-CG 4.24Å; F53-L81 HydrophobicContact CE1-CB 3.41Å; F53-L81 VanDerWaalsContact CE1-CB 3.41Å; F53-L81 HydrophobicContact CE1-CD1 3.3Å; F53-L81 HydrophobicContact CE1-CG 3.92Å; F53-Q83 HydrophobicContact CD1-CG 4.24Å; F53-Q83 HydrophobicContact CE1-CB 4.43Å; F53-Q83 HydrophobicContact CE1-CG 3.51Å; F53-Q83 HydrophobicContact CE2-CG 3.93Å; F53-Q83 HydrophobicContact CZ-CB 4.42Å; F53-Q83 HydrophobicContact CZ-CG 3.35Å
54	G	87	Confident	91.8	Very high	19 Å²	19	50.5 Å²	50.5	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-159	-166	0	0	0	0	0	114.4	G51 I72	G51-G54 PolarHBondContact N-O 3.21Å; G51-G54 PolarHBondContact O-N 3.37Å; G51-G54 VanDerWaalsContact O-O 3.06Å; G54-I72 CarbonylContact C-O 3.58Å; G54-I72 WeakPolarHBondContact CA-O 3.43Å
55	R	91.7	Very high	91.9	Very high	19 Å²	19	47.6 Å²	47.6	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.3	-176.9	61.8	-174.2	171.5	-176.3	7.3	111.4	T47 G49 T50 M57 I72 E346 P347 F350	T47-R55 HydrophobicContact CG2-CB 4.3Å; G49-R55 WeakPolarHBondContact O-CA 3.25Å; T50-R55 HydrophobicContact CG2-CB 4.17Å; R55-M57 HydrophobicContact CG-CG 4.35Å; R55-I72 PolarHBondContact N-O 3.11Å; R55-I72 PolarHBondContact O-N 3.19Å; R55-E346 IonicContact CZ-OE2 3.21Å; R55-E346 IonicContact NE-OE2 3.99Å; R55-E346 IonicContact NH1-OE2 2.68Å; R55-E346 PolarHBondContact NH1-OE2 3.46Å; R55-P347 PolarHBondContact NH1-O 2.78Å; R55-P347 PolarHBondContact NH2-O 2.67Å; R55-F350 VanDerWaalsContact CZ-CZ 3.46Å; R55-F350 VanDerWaalsContact NH2-CE2 3.31Å
56	V	92.9	Very high	92.1	Very high	45 Å²	45	47.7 Å²	47.7	27%	0.273	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.8	172.3	-175.9	0	0	0	0	108.2	T47 L48 G49 A69 M70 K71	T47-V56 CarbonylContact C-O 3.56Å; L48-V56 HydrophobicContact CB-CG1 4.34Å; L48-V56 HydrophobicContact CD1-CG1 4.26Å; L48-V56 PolarHBondContact N-O 3.48Å; G49-V56 PolarHBondContact N-O 3.32Å; G49-V56 PolarHBondContact O-N 3.5Å; V56-A69 HydrophobicContact CG1-CB 3.96Å; V56-M70 CarbonylContact C-O 3.58Å; V56-M70 WeakPolarHBondContact CA-O 3.23Å; V56-K71 HydrophobicContact CG2-CB 4.24Å; V56-K71 HydrophobicContact CG2-CG 4.17Å
57	M	94.2	Very high	92.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140	179.2	-62.1	-174.1	75.1	0	0	111.3	R44 K46 R55 V59 A69 M70 I72 T348 F350	R44-M57 HydrophobicContact CB-CE 4.01Å; K46-M57 CarbonylContact O-C 3.59Å; K46-M57 VanDerWaalsContact O-CA 3.31Å; K46-M57 WeakPolarHBondContact O-CA 3.48Å; R55-M57 HydrophobicContact CG-CG 4.35Å; M57-V59 HydrophobicContact CB-CG1 4.25Å; M57-V59 PolarHBondContact O-N 2.8Å; M57-A69 CarbonylContact O-C 3.52Å; M57-A69 WeakPolarHBondContact O-CA 3.3Å; M57-M70 PolarHBondContact N-O 3.4Å; M57-M70 PolarHBondContact O-N 2.94Å; M57-I72 HydrophobicContact CB-CD1 4.47Å; M57-I72 HydrophobicContact CG-CD1 4Å; M57-I72 HydrophobicContact SD-CD1 3.65Å; M57-T348 HydrophobicContact CE-CG2 4.34Å; M57-F350 HydrophobicContact SD-CE2 4.06Å; M57-F350 HydrophobicContact SD-CZ 4.02Å
58	L	95.5	Very high	92.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126	160.3	-179.1	65	0	0	0	108.1	I45 K46 L48 Y67 Y68 F121 A335 T337	I45-L58 HydrophobicContact CB-CB 4.44Å; I45-L58 HydrophobicContact CB-CD2 4.35Å; I45-L58 HydrophobicContact CB-CG 4.29Å; I45-L58 WeakPolarHBondContact CB-O 3.33Å; I45-L58 HydrophobicContact CD1-CD2 4.34Å; I45-L58 HydrophobicContact CD1-CG 4.18Å; I45-L58 HydrophobicContact CG2-CD2 4.14Å; I45-L58 PolarHBondContact N-O 3.28Å; K46-L58 PolarHBondContact N-O 2.82Å; K46-L58 PolarHBondContact O-N 3.3Å; L48-L58 HydrophobicContact CD1-CB 4.12Å; L48-L58 HydrophobicContact CD2-CB 4.03Å; L48-L58 HydrophobicContact CG-CB 4.05Å; L58-Y67 HydrophobicContact CD1-CD1 4.13Å; L58-Y67 HydrophobicContact CD2-CD1 4.5Å; L58-Y67 HydrophobicContact CG-CD1 4.37Å; L58-Y68 WeakPolarHBondContact CA-O 3.37Å; L58-F121 HydrophobicContact CD1-CB 4.39Å; L58-F121 HydrophobicContact CD1-CD1 3.72Å; L58-F121 HydrophobicContact CD1-CD2 3.9Å; L58-F121 HydrophobicContact CD1-CE1 3.88Å; L58-F121 HydrophobicContact CD1-CE2 4.07Å; L58-F121 HydrophobicContact CD1-CG 3.73Å; L58-F121 HydrophobicContact CD1-CZ 4.05Å; L58-A335 HydrophobicContact CD2-CB 4.27Å; L58-A335 WeakPolarHBondContact CD2-O 3.27Å; L58-T337 HydrophobicContact CD2-CG2 3.66Å
59	V	97.1	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.1	176.7	-57.2	0	0	0	0	110.3	F42 D43 R44 M57 Y67 Y68 M70	F42-V59 HydrophobicContact CB-CB 4.15Å; F42-V59 HydrophobicContact CB-CG2 4.41Å; F42-V59 HydrophobicContact CD1-CB 4.37Å; F42-V59 HydrophobicContact CD1-CG2 3.77Å; F42-V59 HydrophobicContact CE1-CG2 4.48Å; F42-V59 HydrophobicContact CG-CG2 4.33Å; D43-V59 CarbonylContact O-C 3.58Å; D43-V59 WeakPolarHBondContact O-CA 3.43Å; D43-V59 WeakPolarHBondContact O-CB 3.3Å; R44-V59 HydrophobicContact CG-CG1 4.33Å; M57-V59 HydrophobicContact CB-CG1 4.25Å; M57-V59 PolarHBondContact O-N 2.8Å; V59-Y67 CarbonylContact O-C 3.5Å; V59-Y67 VanDerWaalsContact O-CA 3.3Å; V59-Y67 WeakPolarHBondContact O-CA 3.5Å; V59-Y68 PolarHBondContact N-O 2.78Å; V59-Y68 PolarHBondContact O-N 3.22Å; V59-M70 HydrophobicContact CG1-CB 3.71Å; V59-M70 HydrophobicContact CG1-CE 4.12Å; V59-M70 HydrophobicContact CG1-SD 4.14Å; V59-M70 HydrophobicContact CG2-CB 3.95Å; V59-M70 HydrophobicContact CG2-CE 4.19Å
60	K	98.1	Very high	93.6	Very high	70 Å²	70	47.1 Å²	47.1	30%	0.304	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.5	170.8	-176.3	-177.4	-177.7	-176.3	0	109.2	F42 D43 I45 K62 G65 N66 Y67	F42-K60 CarbonylContact C-O 3.48Å; F42-K60 WeakPolarHBondContact CA-O 3.42Å; D43-K60 HydrophobicContact CB-CB 4.37Å; D43-K60 PolarHBondContact N-O 3.09Å; D43-K60 PolarHBondContact O-N 3Å; I45-K60 HydrophobicContact CD1-CB 3.88Å; K60-K62 PolarHBondContact O-N 2.91Å; K60-G65 WeakPolarHBondContact CE-O 3.45Å; K60-N66 WeakPolarHBondContact CA-O 3.35Å; K60-Y67 HydrophobicContact CB-CD1 4.07Å; K60-Y67 HydrophobicContact CB-CE1 3.96Å; K60-Y67 HydrophobicContact CD-CE1 4.11Å; K60-Y67 HydrophobicContact CG-CD1 4.45Å; K60-Y67 HydrophobicContact CG-CE1 4.17Å
61	H	98.3	Very high	94	Very high	16 Å²	16	45.3 Å²	45.3	7%	0.074	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	120.6	174.3	-177.9	-125.8	0	0	0	109.4	D41 F42 Q63 S64 G65 N66 Y68	D41-H61 PolarHBondContact O-CD2 3.45Å; F42-H61 HydrophobicContact CD1-CB 3.98Å; F42-H61 HydrophobicContact CE1-CB 3.81Å; F42-H61 AromaticContact CE1-CD2 3.65Å; F42-H61 AromaticContact CZ-CD2 3.89Å; H61-Q63 VanDerWaalsContact C-N 3.32Å; H61-Q63 PolarHBondContact O-N 2.53Å; H61-S64 PolarHBondContact ND1-N 3.45Å; H61-S64 PolarHBondContact ND1-OG 3.28Å; H61-G65 VanDerWaalsContact O-CA 3.3Å; H61-G65 WeakPolarHBondContact O-CA 3.36Å; H61-G65 PolarHBondContact O-N 2.93Å; H61-N66 PolarHBondContact N-O 3.42Å; H61-Y68 HydrophobicContact CB-CD2 4.04Å; H61-Y68 HydrophobicContact CB-CE2 3.69Å
62	K	98.1	Very high	94.6	Very high	112 Å²	112	43 Å²	43	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.6	-170.1	-72	174.8	178.9	171	0	112.5	D40 D41 D43 K60	D40-K62 WeakPolarHBondContact O-CD 3.38Å; D40-K62 VanDerWaalsContact O-CE 3.32Å; D40-K62 WeakPolarHBondContact O-CE 3.4Å; D40-K62 PolarHBondContact O-NZ 2.88Å; D41-K62 WeakPolarHBondContact O-CB 3.45Å; D41-K62 WeakPolarHBondContact O-CG 3.25Å; D41-K62 PolarHBondContact O-N 2.84Å; D43-K62 WeakPolarHBondContact OD1-CE 3.44Å; D43-K62 IonicContact OD1-NZ 2.62Å; K60-K62 PolarHBondContact O-N 2.91Å
63	Q	97.2	Very high	95.3	Very high	180 Å²	180	39.6 Å²	39.6	84%	0.841	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-46.6	-175.2	-170.5	-176.5	27.8	0	0	112.8	H61	H61-Q63 VanDerWaalsContact C-N 3.32Å; H61-Q63 PolarHBondContact O-N 2.53Å
64	S	97.2	Very high	95.7	Very high	57 Å²	57	39.2 Å²	39.2	40%	0.399	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-17.8	-176	65.5	0	0	0	0	113.7	H61 N66	H61-S64 PolarHBondContact ND1-N 3.45Å; H61-S64 PolarHBondContact ND1-OG 3.28Å; S64-N66 PolarHBondContact O-N 3.06Å; S64-N66 PolarHBondContact OG-N 3.49Å
65	G	96.9	Very high	96	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	20%	0.196	S	C	.	.			trans	72.9	1.7	-173.3	0	0	0	0	0	114.7	K60 H61	K60-G65 WeakPolarHBondContact CE-O 3.45Å; H61-G65 VanDerWaalsContact O-CA 3.3Å; H61-G65 WeakPolarHBondContact O-CA 3.36Å; H61-G65 PolarHBondContact O-N 2.93Å
66	N	97.1	Very high	96	Very high	85 Å²	85	42.9 Å²	42.9	46%	0.455	22%	0.217	S	C	.	.			trans	-75.3	148.1	-179.5	-68.5	-20.2	0	0	0	111.8	K60 H61 S64 Y68	K60-N66 WeakPolarHBondContact CA-O 3.35Å; H61-N66 PolarHBondContact N-O 3.42Å; S64-N66 PolarHBondContact O-N 3.06Å; S64-N66 PolarHBondContact OG-N 3.49Å; N66-Y68 HydrophobicContact CB-CD2 4.46Å; N66-Y68 HydrophobicContact CB-CE2 3.61Å
67	Y	97.4	Very high	96	Very high	60 Å²	60	45.4 Å²	45.4	24%	0.235	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.6	176.3	-65.4	-93.2	0	0	0	111.3	I45 L58 V59 K60 P334 A335	I45-Y67 HydrophobicContact CD1-CD1 3.72Å; I45-Y67 HydrophobicContact CD1-CE1 3.45Å; I45-Y67 VanDerWaalsContact CD1-CE1 3.45Å; L58-Y67 HydrophobicContact CD1-CD1 4.13Å; L58-Y67 HydrophobicContact CD2-CD1 4.5Å; L58-Y67 HydrophobicContact CG-CD1 4.37Å; V59-Y67 CarbonylContact O-C 3.5Å; V59-Y67 VanDerWaalsContact O-CA 3.3Å; V59-Y67 WeakPolarHBondContact O-CA 3.5Å; K60-Y67 HydrophobicContact CB-CD1 4.07Å; K60-Y67 HydrophobicContact CB-CE1 3.96Å; K60-Y67 HydrophobicContact CD-CE1 4.11Å; K60-Y67 HydrophobicContact CG-CD1 4.45Å; K60-Y67 HydrophobicContact CG-CE1 4.17Å; Y67-P334 HydrophobicContact CD2-CB 3.72Å; Y67-P334 HydrophobicContact CD2-CG 3.95Å; Y67-P334 HydrophobicContact CE2-CB 3.97Å; Y67-P334 HydrophobicContact CE2-CG 3.63Å; Y67-A335 HydrophobicContact CD1-CB 3.88Å; Y67-A335 HydrophobicContact CE1-CB 3.46Å; Y67-A335 VanDerWaalsContact CE1-CB 3.46Å; Y67-A335 HydrophobicContact CE2-CB 4.3Å; Y67-A335 HydrophobicContact CG-CB 4.45Å
68	Y	98	Very high	96	Very high	25 Å²	25	45.3 Å²	45.3	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.2	-178.5	-63.4	-82	0	0	0	111.2	F42 L58 V59 H61 N66 T106 F107 V118 L119	F42-Y68 HydrophobicContact CE1-CD2 4.31Å; L58-Y68 WeakPolarHBondContact CA-O 3.37Å; V59-Y68 PolarHBondContact N-O 2.78Å; V59-Y68 PolarHBondContact O-N 3.22Å; H61-Y68 HydrophobicContact CB-CD2 4.04Å; H61-Y68 HydrophobicContact CB-CE2 3.69Å; N66-Y68 HydrophobicContact CB-CD2 4.46Å; N66-Y68 HydrophobicContact CB-CE2 3.61Å; Y68-T106 HydrophobicContact CE1-CG2 4.05Å; Y68-T106 WeakPolarHBondContact CE1-OG1 3.5Å; Y68-F107 HydrophobicContact CE1-CE2 4.46Å; Y68-F107 HydrophobicContact CE2-CE2 4.08Å; Y68-F107 AromaticContact CZ-CE2 3.97Å; Y68-V118 HydrophobicContact CD1-CG1 4.02Å; Y68-V118 HydrophobicContact CD2-CG1 4.22Å; Y68-V118 HydrophobicContact CG-CG1 3.62Å; Y68-L119 WeakPolarHBondContact CA-O 3.34Å; Y68-L119 WeakPolarHBondContact CB-O 3.38Å; Y68-L119 WeakPolarHBondContact CD1-O 3.33Å
69	A	96.9	Very high	95.8	Very high	14 Å²	14	47.5 Å²	47.5	12%	0.116	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.6	165.9	0	0	0	0	0	108.9	L48 V56 M57 L119 F121	L48-A69 HydrophobicContact CD1-CB 4.11Å; V56-A69 HydrophobicContact CG1-CB 3.96Å; M57-A69 CarbonylContact O-C 3.52Å; M57-A69 WeakPolarHBondContact O-CA 3.3Å; A69-L119 PolarHBondContact N-O 2.92Å; A69-L119 PolarHBondContact O-N 3.28Å; A69-F121 HydrophobicContact CB-CD2 4.47Å
70	M	97.4	Very high	95.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.4	177.2	-177	-176	-75.7	0	0	109.8	L39 F42 V56 M57 V59 I72 F109 Y116 M117 V118	L39-M70 HydrophobicContact CD1-CE 4.22Å; L39-M70 HydrophobicContact CD1-SD 3.89Å; F42-M70 HydrophobicContact CB-CE 3.88Å; F42-M70 HydrophobicContact CD1-CE 4.17Å; F42-M70 HydrophobicContact CD2-CE 3.47Å; F42-M70 VanDerWaalsContact CD2-CE 3.47Å; F42-M70 HydrophobicContact CE2-CE 4.02Å; F42-M70 HydrophobicContact CG-CE 3.56Å; V56-M70 CarbonylContact C-O 3.58Å; V56-M70 WeakPolarHBondContact CA-O 3.23Å; M57-M70 PolarHBondContact N-O 3.4Å; M57-M70 PolarHBondContact O-N 2.94Å; V59-M70 HydrophobicContact CG1-CB 3.71Å; V59-M70 HydrophobicContact CG1-CE 4.12Å; V59-M70 HydrophobicContact CG1-SD 4.14Å; V59-M70 HydrophobicContact CG2-CB 3.95Å; V59-M70 HydrophobicContact CG2-CE 4.19Å; M70-I72 HydrophobicContact CG-CD1 4.18Å; M70-I72 HydrophobicContact CG-CG1 3.75Å; M70-I72 HydrophobicContact SD-CD1 3.93Å; M70-I72 HydrophobicContact SD-CG1 4Å; M70-F109 HydrophobicContact CE-CE1 4.33Å; M70-F109 HydrophobicContact CE-CZ 3.89Å; M70-Y116 HydrophobicContact CG-CD1 4.22Å; M70-Y116 HydrophobicContact SD-CD1 3.72Å; M70-Y116 HydrophobicContact SD-CE1 4.32Å; M70-M117 CarbonylContact C-O 3.49Å; M70-M117 WeakPolarHBondContact CA-O 3.47Å; M70-V118 HydrophobicContact CE-CG2 3.86Å; M70-V118 HydrophobicContact CG-CG2 4.16Å
71	K	95.8	Very high	95.3	Very high	40 Å²	40	56.4 Å²	56.4	17%	0.174	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.2	169.9	-171.9	174.3	-175	-172.6	0	108.4	V56 L73 E90 Y116 M117 L119	V56-K71 HydrophobicContact CG2-CB 4.24Å; V56-K71 HydrophobicContact CG2-CG 4.17Å; K71-L73 HydrophobicContact CG-CD2 4.21Å; K71-L73 HydrophobicContact CG-CG 4.39Å; K71-E90 IonicContact NZ-OE1 3.12Å; K71-E90 PolarHBondContact NZ-OE1 3.37Å; K71-E90 IonicContact NZ-OE2 2.68Å; K71-E90 PolarHBondContact NZ-OE2 3Å; K71-Y116 WeakPolarHBondContact O-CA 3.49Å; K71-M117 HydrophobicContact CB-CB 4.36Å; K71-M117 HydrophobicContact CD-CE 3.85Å; K71-M117 HydrophobicContact CG-CE 4.35Å; K71-M117 PolarHBondContact N-O 2.88Å; K71-M117 PolarHBondContact O-N 3.47Å; K71-L119 HydrophobicContact CB-CD1 3.99Å
72	I	95.5	Very high	95.1	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.6	-174.3	-52.1	173.2	0	0	0	107.5	G54 R55 M57 M70 N114 L115 Y116 F350	G54-I72 CarbonylContact C-O 3.58Å; G54-I72 WeakPolarHBondContact CA-O 3.43Å; R55-I72 PolarHBondContact N-O 3.11Å; R55-I72 PolarHBondContact O-N 3.19Å; M57-I72 HydrophobicContact CB-CD1 4.47Å; M57-I72 HydrophobicContact CG-CD1 4Å; M57-I72 HydrophobicContact SD-CD1 3.65Å; M70-I72 HydrophobicContact CG-CD1 4.18Å; M70-I72 HydrophobicContact CG-CG1 3.75Å; M70-I72 HydrophobicContact SD-CD1 3.93Å; M70-I72 HydrophobicContact SD-CG1 4Å; I72-N114 HydrophobicContact CG2-CB 4.08Å; I72-L115 WeakPolarHBondContact CA-O 3.22Å; I72-Y116 HydrophobicContact CB-CD1 4.38Å; I72-Y116 HydrophobicContact CB-CE1 4.37Å; I72-Y116 HydrophobicContact CD1-CE1 4.32Å; I72-Y116 HydrophobicContact CG1-CD1 3.88Å; I72-Y116 HydrophobicContact CG1-CE1 4.04Å; I72-Y116 HydrophobicContact CG2-CD1 4.04Å; I72-Y116 HydrophobicContact CG2-CE1 3.61Å; I72-F350 HydrophobicContact CB-CZ 4.39Å; I72-F350 HydrophobicContact CD1-CE1 4.28Å; I72-F350 HydrophobicContact CD1-CE2 3.83Å; I72-F350 HydrophobicContact CD1-CZ 3.33Å; I72-F350 HydrophobicContact CG1-CZ 4.4Å; I72-F350 HydrophobicContact CG2-CE1 3.72Å; I72-F350 HydrophobicContact CG2-CZ 3.89Å
73	L	94.6	Very high	94.8	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.6	-175.8	-55.8	171.5	0	0	0	110.4	F53 K71 K75 V78 T87 N114 L115 M117	F53-L73 HydrophobicContact CB-CD2 4.2Å; K71-L73 HydrophobicContact CG-CD2 4.21Å; K71-L73 HydrophobicContact CG-CG 4.39Å; L73-K75 PolarHBondContact O-N 3.31Å; L73-V78 HydrophobicContact CB-CG2 4.08Å; L73-T87 HydrophobicContact CD1-CG2 3.58Å; L73-N114 CarbonylContact O-C 3.53Å; L73-N114 WeakPolarHBondContact O-CA 3.18Å; L73-L115 HydrophobicContact CB-CB 4.26Å; L73-L115 PolarHBondContact N-O 3.12Å; L73-L115 PolarHBondContact O-N 2.78Å; L73-M117 HydrophobicContact CD1-CE 3.53Å; L73-M117 HydrophobicContact CG-CE 4.49Å
74	D	93.2	Very high	94.7	Very high	39 Å²	39	54 Å²	54	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	120	176.4	174.8	-40.1	0	0	0	109.8	F53 Q76 K77 V78	F53-D74 PolarHBondContact O-N 3.42Å; D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 3.11Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.34Å; D74-Q76 VanDerWaalsContact OD1-CB 3.28Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.46Å; D74-Q76 PolarHBondContact OD1-N 3.21Å; D74-K77 HydrophobicContact CB-CB 4.02Å; D74-K77 HydrophobicContact CB-CD 3.92Å; D74-K77 HydrophobicContact CB-CG 3.94Å; D74-K77 PolarHBondContact O-N 3.18Å; D74-K77 PolarHBondContact OD1-N 2.92Å; D74-V78 VanDerWaalsContact O-CG2 3.31Å; D74-V78 WeakPolarHBondContact O-CG2 3.48Å; D74-V78 PolarHBondContact O-N 3.13Å
75	K	93.5	Very high	94.4	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-39.8	-177.7	-71.3	179.8	-174.7	-178.4	0	112.2	L73 V78 V79 D111 S113 L115 L358 F362	L73-K75 PolarHBondContact O-N 3.31Å; K75-V78 PolarHBondContact O-N 2.89Å; K75-V79 WeakPolarHBondContact O-CG2 3.41Å; K75-V79 PolarHBondContact O-N 3.32Å; K75-D111 WeakPolarHBondContact CE-O 3.2Å; K75-D111 PolarHBondContact NZ-O 2.89Å; K75-S113 VanDerWaalsContact CB-O 3.32Å; K75-S113 WeakPolarHBondContact CB-O 3.12Å; K75-S113 VanDerWaalsContact CG-O 3.31Å; K75-S113 WeakPolarHBondContact CG-O 3.28Å; K75-S113 PolarHBondContact N-O 3.07Å; K75-L115 HydrophobicContact CD-CD2 4.31Å; K75-L115 HydrophobicContact CG-CD2 3.95Å; K75-L115 HydrophobicContact CG-CG 3.92Å; K75-L358 HydrophobicContact CB-CB 4.43Å; K75-L358 HydrophobicContact CB-CD1 3.85Å; K75-L358 HydrophobicContact CD-CB 4.41Å; K75-F362 HydrophobicContact CB-CD2 4.21Å; K75-F362 HydrophobicContact CB-CE2 3.75Å; K75-F362 HydrophobicContact CD-CD2 3.81Å; K75-F362 HydrophobicContact CD-CE2 4.22Å; K75-F362 HydrophobicContact CG-CD2 3.79Å; K75-F362 HydrophobicContact CG-CE2 3.77Å
76	Q	91.6	Very high	94.2	Very high	111 Å²	111	58.3 Å²	58.3	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-43.3	178.6	-66.2	-175.1	-23.2	0	0	110.7	D74 V79 K80 L358	D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 3.11Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.34Å; D74-Q76 VanDerWaalsContact OD1-CB 3.28Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.46Å; D74-Q76 PolarHBondContact OD1-N 3.21Å; Q76-V79 PolarHBondContact O-N 3.06Å; Q76-K80 VanDerWaalsContact O-CB 3.24Å; Q76-K80 WeakPolarHBondContact O-CB 3.28Å; Q76-K80 PolarHBondContact O-N 3.16Å; Q76-L358 HydrophobicContact CB-CD1 4.27Å; Q76-L358 HydrophobicContact CG-CD1 3.57Å
77	K	92.1	Very high	94.1	Very high	98 Å²	98	54.6 Å²	54.6	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-42.3	177.1	-66.6	-177.3	-170.7	175	0	111.9	F53 D74 V79 K80 L81	F53-K77 HydrophobicContact CB-CB 4.49Å; D74-K77 HydrophobicContact CB-CB 4.02Å; D74-K77 HydrophobicContact CB-CD 3.92Å; D74-K77 HydrophobicContact CB-CG 3.94Å; D74-K77 PolarHBondContact O-N 3.18Å; D74-K77 PolarHBondContact OD1-N 2.92Å; K77-V79 VanDerWaalsContact C-N 3.34Å; K77-V79 PolarHBondContact O-N 3.24Å; K77-K80 PolarHBondContact O-N 3.3Å; K77-L81 WeakPolarHBondContact O-CB 3.37Å; K77-L81 PolarHBondContact O-N 3.42Å
78	V	93.6	Very high	94	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-45.5	176.7	171.3	0	0	0	0	110.8	F53 L73 D74 K75 K82 Q83 V84 F362	F53-V78 HydrophobicContact CB-CG2 4.04Å; L73-V78 HydrophobicContact CB-CG2 4.08Å; D74-V78 VanDerWaalsContact O-CG2 3.31Å; D74-V78 WeakPolarHBondContact O-CG2 3.48Å; D74-V78 PolarHBondContact O-N 3.13Å; K75-V78 PolarHBondContact O-N 2.89Å; V78-K82 PolarHBondContact O-N 2.8Å; V78-Q83 HydrophobicContact CG1-CB 4.15Å; V78-Q83 PolarHBondContact O-N 3.33Å; V78-V84 HydrophobicContact CG1-CG2 4.23Å; V78-F362 HydrophobicContact CB-CZ 4.16Å; V78-F362 HydrophobicContact CG1-CE1 3.95Å; V78-F362 HydrophobicContact CG1-CZ 3.73Å
79	V	93.3	Very high	93.8	Very high	48 Å²	48	53.9 Å²	53.9	29%	0.291	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-48.7	177.7	172.8	0	0	0	0	111.6	K75 Q76 K77 L81 K82 V84 L358 L361 F362	K75-V79 WeakPolarHBondContact O-CG2 3.41Å; K75-V79 PolarHBondContact O-N 3.32Å; Q76-V79 PolarHBondContact O-N 3.06Å; K77-V79 VanDerWaalsContact C-N 3.34Å; K77-V79 PolarHBondContact O-N 3.24Å; V79-L81 PolarHBondContact O-N 2.99Å; V79-K82 PolarHBondContact O-N 3.25Å; V79-V84 HydrophobicContact CB-CG2 4.48Å; V79-V84 HydrophobicContact CG2-CG2 3.74Å; V79-L358 HydrophobicContact CG2-CD2 3.99Å; V79-L361 HydrophobicContact CG1-CD1 4.48Å; V79-L361 HydrophobicContact CG2-CD1 3.73Å; V79-F362 HydrophobicContact CG2-CE2 3.97Å; V79-F362 HydrophobicContact CG2-CZ 4.02Å
80	K	92.4	Very high	93.8	Very high	175 Å²	175	53.6 Å²	53.6	76%	0.761	25%	0.254	S	S	*	.	H	α-helix	trans	-56	-37.4	-179.5	-177.4	177.3	178.8	179.3	0	112.2	Q76 K77	Q76-K80 VanDerWaalsContact O-CB 3.24Å; Q76-K80 WeakPolarHBondContact O-CB 3.28Å; Q76-K80 PolarHBondContact O-N 3.16Å; K77-K80 PolarHBondContact O-N 3.3Å
81	L	91.7	Very high	93.8	Very high	82 Å²	82	53.8 Å²	53.8	43%	0.429	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.8	-179.1	-63.3	170.1	0	0	0	113.4	F53 K77 V79 Q83	F53-L81 HydrophobicContact CD1-CB 3.93Å; F53-L81 HydrophobicContact CD1-CD1 3.44Å; F53-L81 VanDerWaalsContact CD1-CD1 3.44Å; F53-L81 HydrophobicContact CD1-CG 4.24Å; F53-L81 HydrophobicContact CE1-CB 3.41Å; F53-L81 VanDerWaalsContact CE1-CB 3.41Å; F53-L81 HydrophobicContact CE1-CD1 3.3Å; F53-L81 HydrophobicContact CE1-CG 3.92Å; K77-L81 WeakPolarHBondContact O-CB 3.37Å; K77-L81 PolarHBondContact O-N 3.42Å; V79-L81 PolarHBondContact O-N 2.99Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 HydrophobicContact CB-CG 4.44Å; L81-Q83 WeakPolarHBondContact O-CG 3.15Å; L81-Q83 PolarHBondContact O-N 3.09Å; L81-Q83 PolarHBondContact O-NE2 3.11Å
82	K	93.2	Very high	93.8	Very high	185 Å²	185	55.8 Å²	55.8	80%	0.804	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	39.6	174.1	-56.3	-178.2	179.5	-178.9	0	113.6	V78 V79	V78-K82 PolarHBondContact O-N 2.8Å; V79-K82 PolarHBondContact O-N 3.25Å
83	Q	93.2	Very high	93.9	Very high	42 Å²	42	55.6 Å²	55.6	20%	0.196	26%	0.26	C	S	.	.			trans	-103.7	8.6	-178.4	-63.6	-53.1	-52.8	0	0	114.5	F53 V78 L81 E85 H86 T87	F53-Q83 HydrophobicContact CD1-CG 4.24Å; F53-Q83 HydrophobicContact CE1-CB 4.43Å; F53-Q83 HydrophobicContact CE1-CG 3.51Å; F53-Q83 HydrophobicContact CE2-CG 3.93Å; F53-Q83 HydrophobicContact CZ-CB 4.42Å; F53-Q83 HydrophobicContact CZ-CG 3.35Å; V78-Q83 HydrophobicContact CG1-CB 4.15Å; V78-Q83 PolarHBondContact O-N 3.33Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 HydrophobicContact CB-CG 4.44Å; L81-Q83 WeakPolarHBondContact O-CG 3.15Å; L81-Q83 PolarHBondContact O-N 3.09Å; L81-Q83 PolarHBondContact O-NE2 3.11Å; Q83-E85 PolarHBondContact O-N 3.41Å; Q83-H86 PolarHBondContact O-N 2.8Å; Q83-H86 VanDerWaalsContact O-N 3.15Å; Q83-H86 PolarHBondContact OE1-ND1 3.45Å; Q83-T87 PolarHBondContact O-N 3.44Å; Q83-T87 PolarHBondContact O-OG1 3.37Å
84	V	93.6	Very high	94.1	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-52.5	-51.8	-176.6	-179.2	0	0	0	0	112	V78 V79 H86 T87 L88 F362	V78-V84 HydrophobicContact CG1-CG2 4.23Å; V79-V84 HydrophobicContact CB-CG2 4.48Å; V79-V84 HydrophobicContact CG2-CG2 3.74Å; V84-H86 PolarHBondContact O-N 3.48Å; V84-T87 PolarHBondContact O-N 2.79Å; V84-L88 HydrophobicContact CG1-CD1 3.98Å; V84-L88 WeakPolarHBondContact O-CG 3.47Å; V84-L88 PolarHBondContact O-N 2.93Å; V84-F362 HydrophobicContact CG1-CE1 4Å; V84-F362 HydrophobicContact CG1-CZ 4.39Å; V84-F362 HydrophobicContact CG2-CE1 4.38Å; V84-F362 HydrophobicContact CG2-CZ 4.07Å
85	E	92.3	Very high	94.3	Very high	132 Å²	132	54.9 Å²	54.9	62%	0.617	26%	0.256	S	S	*	.	H	α-helix	trans	-61.9	-44.2	-180	-170.7	-171.1	156	0	0	111.5	Q83 N89 K188	Q83-E85 PolarHBondContact O-N 3.41Å; E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 3.44Å; E85-K188 IonicContact OE1-NZ 3.99Å
86	H	92	Very high	94.5	Very high	44 Å²	44	54.7 Å²	54.7	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-42	179.3	-66.9	151.3	0	0	0	112	Q83 V84 N89 E90	Q83-H86 PolarHBondContact O-N 2.8Å; Q83-H86 VanDerWaalsContact O-N 3.15Å; Q83-H86 PolarHBondContact OE1-ND1 3.45Å; V84-H86 PolarHBondContact O-N 3.48Å; H86-N89 PolarHBondContact O-N 2.93Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 3.47Å; H86-E90 PolarHBondContact O-N 3.36Å
87	T	94.9	Very high	94.8	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-45	178.3	-60.9	0	0	0	0	112.1	L73 Q83 V84 N89 E90 K91 L115 F365	L73-T87 HydrophobicContact CD1-CG2 3.58Å; Q83-T87 PolarHBondContact O-N 3.44Å; Q83-T87 PolarHBondContact O-OG1 3.37Å; V84-T87 PolarHBondContact O-N 2.79Å; T87-N89 VanDerWaalsContact C-N 3.35Å; T87-E90 PolarHBondContact O-N 3Å; T87-K91 PolarHBondContact O-N 3.45Å; T87-K91 VanDerWaalsContact O-N 3.08Å; T87-L115 HydrophobicContact CG2-CD1 3.65Å; T87-F365 HydrophobicContact CG2-CE2 4.2Å
88	L	95.1	Very high	95	Very high	38 Å²	38	49.1 Å²	49.1	20%	0.199	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-42.5	176.4	-70	174.1	0	0	0	111.3	V84 R92 F362 F365	V84-L88 HydrophobicContact CG1-CD1 3.98Å; V84-L88 WeakPolarHBondContact O-CG 3.47Å; V84-L88 PolarHBondContact O-N 2.93Å; L88-R92 VanDerWaalsContact O-CB 3.25Å; L88-R92 WeakPolarHBondContact O-CB 2.85Å; L88-R92 PolarHBondContact O-N 2.93Å; L88-F362 HydrophobicContact CD2-CD1 4.24Å; L88-F365 HydrophobicContact CD2-CB 4Å; L88-F365 HydrophobicContact CD2-CD2 4.24Å
89	N	94.7	Very high	95.3	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-39.5	178.4	174.6	84.5	0	0	0	112.3	E85 H86 T87 R92 I93 A187	E85-N89 WeakPolarHBondContact O-CB 3.46Å; E85-N89 PolarHBondContact O-N 3.44Å; H86-N89 PolarHBondContact O-N 2.93Å; T87-N89 VanDerWaalsContact C-N 3.35Å; N89-R92 PolarHBondContact O-N 3.27Å; N89-I93 WeakPolarHBondContact ND2-CD1 3.46Å; N89-I93 WeakPolarHBondContact O-CB 3.12Å; N89-I93 VanDerWaalsContact O-CG1 3.28Å; N89-I93 WeakPolarHBondContact O-CG1 3.43Å; N89-I93 PolarHBondContact O-N 3.49Å; N89-A187 PolarHBondContact ND2-O 2.94Å
90	E	96.3	Very high	95.4	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-56.3	-54.2	173	179	176.5	-154.4	0	0	110.3	K71 H86 T87 R92 I93 L94 M117 F184	K71-E90 IonicContact NZ-OE1 3.12Å; K71-E90 PolarHBondContact NZ-OE1 3.37Å; K71-E90 IonicContact NZ-OE2 2.68Å; K71-E90 PolarHBondContact NZ-OE2 3Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 3.47Å; H86-E90 PolarHBondContact O-N 3.36Å; T87-E90 PolarHBondContact O-N 3Å; E90-R92 VanDerWaalsContact C-N 3.29Å; E90-R92 PolarHBondContact O-N 2.94Å; E90-I93 PolarHBondContact O-N 3.22Å; E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 HydrophobicContact CG-CG 4.47Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 3.34Å; E90-M117 HydrophobicContact CG-SD 4.42Å; E90-F184 HydrophobicContact CG-CB 4.05Å; E90-F184 PolarHBondContact OE1-N 3.15Å
91	K	96.9	Very high	95.7	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-43.1	177.5	-176.5	-94.4	169.8	162.5	0	111.5	A33 T87 I93 L94 Q95 M105 S108 M117 F365	A33-K91 PolarHBondContact O-NZ 2.86Å; T87-K91 PolarHBondContact O-N 3.45Å; T87-K91 VanDerWaalsContact O-N 3.08Å; K91-I93 VanDerWaalsContact C-N 3.34Å; K91-I93 PolarHBondContact O-N 2.91Å; K91-L94 PolarHBondContact O-N 3.04Å; K91-Q95 WeakPolarHBondContact O-CG 3.32Å; K91-Q95 PolarHBondContact O-N 3Å; K91-Q95 VanDerWaalsContact O-N 3.11Å; K91-M105 HydrophobicContact CG-CE 4.14Å; K91-M105 HydrophobicContact CG-SD 4.43Å; K91-S108 WeakPolarHBondContact CE-OG 3.39Å; K91-M117 HydrophobicContact CB-SD 3.98Å; K91-M117 HydrophobicContact CG-CG 4.47Å; K91-M117 HydrophobicContact CG-SD 4.44Å; K91-F365 HydrophobicContact CB-CD2 4.27Å; K91-F365 HydrophobicContact CB-CE2 3.84Å; K91-F365 HydrophobicContact CB-CZ 4.42Å; K91-F365 WeakPolarHBondContact CE-OXT 3.32Å; K91-F365 HydrophobicContact CG-CD2 4.23Å; K91-F365 HydrophobicContact CG-CE2 3.87Å; K91-F365 HydrophobicContact CG-CZ 4.03Å; K91-F365 PolarHBondContact NZ-OXT 2.9Å
92	R	96.8	Very high	96	Very high	82 Å²	82	36.4 Å²	36.4	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-65.8	-35.7	-178.8	-167.4	178.2	-176.7	156.3	5.1	112.9	W29 L88 N89 E90 Q95 A96	W29-R92 HydrophobicContact CD2-CG 4.35Å; W29-R92 HydrophobicContact CE3-CG 3.94Å; W29-R92 HydrophobicContact CH2-CB 4.35Å; W29-R92 HydrophobicContact CH2-CG 3.84Å; W29-R92 HydrophobicContact CZ2-CG 4.25Å; W29-R92 HydrophobicContact CZ3-CB 4.21Å; W29-R92 HydrophobicContact CZ3-CG 3.67Å; W29-R92 PolarHBondContact O-NH2 2.96Å; L88-R92 VanDerWaalsContact O-CB 3.25Å; L88-R92 WeakPolarHBondContact O-CB 2.85Å; L88-R92 PolarHBondContact O-N 2.93Å; N89-R92 PolarHBondContact O-N 3.27Å; E90-R92 VanDerWaalsContact C-N 3.29Å; E90-R92 PolarHBondContact O-N 2.94Å; R92-Q95 VanDerWaalsContact O-CG 3.29Å; R92-Q95 WeakPolarHBondContact O-CG 3.36Å; R92-A96 WeakPolarHBondContact O-CB 3.5Å
93	I	97.8	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-52.3	173.9	-69.4	168.8	0	0	0	109.8	W29 N89 E90 K91 Q95 A96 I97 L161 F184 A187	W29-I93 HydrophobicContact CH2-CG1 4.16Å; W29-I93 HydrophobicContact CZ3-CG1 3.75Å; N89-I93 WeakPolarHBondContact ND2-CD1 3.46Å; N89-I93 WeakPolarHBondContact O-CB 3.12Å; N89-I93 VanDerWaalsContact O-CG1 3.28Å; N89-I93 WeakPolarHBondContact O-CG1 3.43Å; N89-I93 PolarHBondContact O-N 3.49Å; E90-I93 PolarHBondContact O-N 3.22Å; K91-I93 VanDerWaalsContact C-N 3.34Å; K91-I93 PolarHBondContact O-N 2.91Å; I93-Q95 VanDerWaalsContact C-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.44Å; I93-A96 PolarHBondContact O-N 3.12Å; I93-I97 HydrophobicContact CG2-CD1 4.37Å; I93-I97 HydrophobicContact CG2-CG2 4.01Å; I93-I97 WeakPolarHBondContact O-CG1 3.32Å; I93-I97 PolarHBondContact O-N 2.91Å; I93-L161 HydrophobicContact CD1-CD2 3.86Å; I93-L161 HydrophobicContact CG1-CD2 3.86Å; I93-L161 HydrophobicContact CG2-CD1 4.07Å; I93-L161 HydrophobicContact CG2-CD2 4.47Å; I93-F184 HydrophobicContact CG2-CD1 3.72Å; I93-F184 HydrophobicContact CG2-CE1 4.28Å; I93-F184 HydrophobicContact CG2-CG 4.39Å; I93-A187 HydrophobicContact CD1-CB 3.61Å
94	L	97.8	Very high	96.4	Very high	4 Å²	4	28 Å²	28	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-37.5	-174.8	-79.5	172.2	0	0	0	113.8	E90 K91 A96 I97 V103 M105 M117 L119 F184	E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 HydrophobicContact CG-CG 4.47Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 3.34Å; K91-L94 PolarHBondContact O-N 3.04Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 3.11Å; L94-I97 HydrophobicContact CD2-CD1 4.36Å; L94-V103 HydrophobicContact CD2-CG1 3.99Å; L94-M105 HydrophobicContact CB-CB 3.97Å; L94-M105 HydrophobicContact CB-CE 4.21Å; L94-M105 HydrophobicContact CB-SD 4Å; L94-M105 HydrophobicContact CD1-SD 4.45Å; L94-M117 HydrophobicContact CD1-SD 3.98Å; L94-L119 HydrophobicContact CD1-CD2 4.06Å; L94-L119 HydrophobicContact CD2-CD2 4.26Å; L94-F184 HydrophobicContact CD2-CD2 3.61Å; L94-F184 HydrophobicContact CD2-CE2 4.04Å; L94-F184 HydrophobicContact CD2-CG 4.18Å; L94-F184 HydrophobicContact CG-CB 4.35Å; L94-F184 HydrophobicContact CG-CD2 4.35Å
95	Q	96.9	Very high	96.6	Very high	26 Å²	26	27.9 Å²	27.9	12%	0.121	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.5	175.8	67.5	-173.2	-2.7	0	0	113.6	A33 K91 R92 I93 M105	A33-Q95 PolarHBondContact O-OE1 3.29Å; K91-Q95 WeakPolarHBondContact O-CG 3.32Å; K91-Q95 PolarHBondContact O-N 3Å; K91-Q95 VanDerWaalsContact O-N 3.11Å; R92-Q95 VanDerWaalsContact O-CG 3.29Å; R92-Q95 WeakPolarHBondContact O-CG 3.36Å; I93-Q95 VanDerWaalsContact C-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.44Å; Q95-M105 HydrophobicContact CB-CE 3.5Å; Q95-M105 VanDerWaalsContact CB-CE 3.5Å
96	A	97.7	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-25.9	-170.6	0	0	0	0	0	112.9	F25 R28 W29 R92 I93 L94	F25-A96 HydrophobicContact CD2-CB 3.64Å; F25-A96 WeakPolarHBondContact CD2-O 3.22Å; F25-A96 HydrophobicContact CE2-CB 3.52Å; F25-A96 HydrophobicContact CZ-CB 4.41Å; R28-A96 HydrophobicContact CB-CB 4.08Å; R28-A96 PolarHBondContact NE-O 3.42Å; R28-A96 PolarHBondContact NH1-O 3.45Å; R28-A96 PolarHBondContact NH2-O 2.9Å; W29-A96 HydrophobicContact CB-CB 4.31Å; W29-A96 HydrophobicContact CE3-CB 4.03Å; R92-A96 WeakPolarHBondContact O-CB 3.5Å; I93-A96 PolarHBondContact O-N 3.12Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 3.11Å
97	I	98.2	Very high	97.1	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.124	C	C	.	.			trans	-79.9	154.3	176.3	62.3	172.2	0	0	0	111.8	F25 R28 I93 L94 L102 Y155 L156 L159 L161 F184	F25-I97 HydrophobicContact CD2-CG2 4.27Å; F25-I97 HydrophobicContact CE2-CG2 4.13Å; R28-I97 PolarHBondContact NH1-O 3.3Å; I93-I97 HydrophobicContact CG2-CD1 4.37Å; I93-I97 HydrophobicContact CG2-CG2 4.01Å; I93-I97 WeakPolarHBondContact O-CG1 3.32Å; I93-I97 PolarHBondContact O-N 2.91Å; L94-I97 HydrophobicContact CD2-CD1 4.36Å; I97-L102 HydrophobicContact CB-CD1 4.44Å; I97-L102 HydrophobicContact CD1-CB 4.21Å; I97-L102 HydrophobicContact CD1-CD1 3.82Å; I97-Y155 WeakPolarHBondContact CA-OH 3.48Å; I97-Y155 HydrophobicContact CB-CE1 4.1Å; I97-Y155 HydrophobicContact CG2-CE1 4.16Å; I97-L156 HydrophobicContact CG2-CD2 4.19Å; I97-L159 HydrophobicContact CG2-CD1 4.21Å; I97-L161 HydrophobicContact CG2-CD1 3.77Å; I97-F184 HydrophobicContact CD1-CD1 4.38Å; I97-F184 HydrophobicContact CD1-CE1 3.73Å; I97-F184 HydrophobicContact CD1-CE2 4.08Å; I97-F184 HydrophobicContact CD1-CZ 3.53Å
98	D	97.4	Very high	97.3	Very high	88 Å²	88	24 Å²	24	47%	0.471	12%	0.123	S	C	.	.			trans	-157.5	109.1	170.1	177.6	19.5	0	0	0	107.9	R28 Y155	R28-D98 VanDerWaalsContact NH2-CB 3.3Å; D98-Y155 PolarHBondContact N-OH 2.64Å; D98-Y155 WeakPolarHBondContact O-CE2 3.01Å; D98-Y155 PolarHBondContact O-OH 2.99Å
99	F	98.2	Very high	97.4	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.013	12%	0.115	C	C	.	.			trans	-155.2	142.8	-179.3	-165.6	-107.9	0	0	0	110.8	F17 F101 L102 L151 A152 Y155 Y305	F17-F99 AromaticContact CE1-CD2 3.91Å; F17-F99 HydrophobicContact CE1-CD2 3.91Å; F17-F99 AromaticContact CE1-CE2 3.52Å; F17-F99 HydrophobicContact CE1-CE2 3.52Å; F17-F99 AromaticContact CZ-CD2 3.69Å; F17-F99 HydrophobicContact CZ-CD2 3.69Å; F17-F99 AromaticContact CZ-CE2 3.67Å; F17-F99 HydrophobicContact CZ-CE2 3.67Å; F99-F101 HydrophobicContact CD1-CB 4.36Å; F99-F101 HydrophobicContact CD1-CD2 4.29Å; F99-F101 HydrophobicContact CE1-CB 4.47Å; F99-F101 AromaticContact CE1-CD2 3.63Å; F99-F101 HydrophobicContact CE1-CD2 3.63Å; F99-F101 HydrophobicContact CE1-CE2 4.19Å; F99-F101 HydrophobicContact CE1-CG 4.35Å; F99-F101 HydrophobicContact CZ-CD2 4.45Å; F99-F101 PolarHBondContact O-N 3.16Å; F99-L102 HydrophobicContact CB-CB 4.37Å; F99-L102 HydrophobicContact CB-CD1 3.73Å; F99-L102 HydrophobicContact CB-CG 3.84Å; F99-L102 HydrophobicContact CD1-CG 4.2Å; F99-L102 HydrophobicContact CG-CG 4.48Å; F99-L102 PolarHBondContact O-N 2.77Å; F99-L151 HydrophobicContact CE1-CB 4.18Å; F99-L151 HydrophobicContact CZ-CB 4.01Å; F99-L151 WeakPolarHBondContact CZ-O 3.47Å; F99-A152 HydrophobicContact CD1-CB 4.34Å; F99-A152 HydrophobicContact CE1-CB 4.23Å; F99-Y155 HydrophobicContact CB-CD1 3.82Å; F99-Y155 HydrophobicContact CB-CD2 4.29Å; F99-Y155 HydrophobicContact CB-CE1 3.84Å; F99-Y155 HydrophobicContact CB-CE2 4.25Å; F99-Y155 HydrophobicContact CB-CG 4.06Å; F99-Y155 HydrophobicContact CD1-CG 4.45Å; F99-Y155 HydrophobicContact CD2-CD1 4.19Å; F99-Y155 AromaticContact CD2-CD2 3.48Å; F99-Y155 HydrophobicContact CD2-CD2 3.48Å; F99-Y155 VanDerWaalsContact CD2-CD2 3.48Å; F99-Y155 HydrophobicContact CD2-CE2 4.04Å; F99-Y155 AromaticContact CD2-CG 3.55Å; F99-Y155 HydrophobicContact CD2-CG 3.55Å; F99-Y155 HydrophobicContact CE2-CD2 4.09Å; F99-Y155 HydrophobicContact CE2-CG 4.1Å; F99-Y155 AromaticContact CG-CD1 3.95Å; F99-Y155 HydrophobicContact CG-CD1 3.95Å; F99-Y155 HydrophobicContact CG-CD2 4.08Å; F99-Y155 HydrophobicContact CG-CE1 4.43Å; F99-Y155 AromaticContact CG-CG 3.77Å; F99-Y155 HydrophobicContact CG-CG 3.77Å; F99-Y305 HydrophobicContact CD2-CE2 4.35Å; F99-Y305 AromaticContact CE2-CD2 4Å; F99-Y305 HydrophobicContact CE2-CD2 4Å; F99-Y305 AromaticContact CE2-CE2 3.65Å; F99-Y305 HydrophobicContact CE2-CE2 3.65Å; F99-Y305 AromaticContact CZ-CD2 4Å; F99-Y305 HydrophobicContact CZ-CD2 4Å; F99-Y305 HydrophobicContact CZ-CE2 4.13Å
100	P	97.2	Very high	97.4	Very high	35 Å²	35	23.4 Å²	23.4	23%	0.227	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.6	-170.2	-28.2	35.5	0	0	0	116	K180 Y305	P100-K180 WeakPolarHBondContact O-CE 3.39Å; P100-K180 PolarHBondContact O-NZ 3.4Å; P100-Y305 HydrophobicContact CG-CD2 4.08Å; P100-Y305 HydrophobicContact CG-CE2 3.61Å
101	F	98.3	Very high	97.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.8	-177.2	-45.6	-43.8	0	0	0	113.5	F99 Q148 L151 Y178 L179 K180 I181 I304 K307	F99-F101 HydrophobicContact CD1-CB 4.36Å; F99-F101 HydrophobicContact CD1-CD2 4.29Å; F99-F101 HydrophobicContact CE1-CB 4.47Å; F99-F101 AromaticContact CE1-CD2 3.63Å; F99-F101 HydrophobicContact CE1-CD2 3.63Å; F99-F101 HydrophobicContact CE1-CE2 4.19Å; F99-F101 HydrophobicContact CE1-CG 4.35Å; F99-F101 HydrophobicContact CZ-CD2 4.45Å; F99-F101 PolarHBondContact O-N 3.16Å; F101-Q148 HydrophobicContact CD1-CB 4.39Å; F101-Q148 HydrophobicContact CD1-CG 4.24Å; F101-Q148 HydrophobicContact CD2-CB 3.78Å; F101-Q148 HydrophobicContact CD2-CG 4.16Å; F101-Q148 WeakPolarHBondContact CD2-O 3.15Å; F101-Q148 HydrophobicContact CE1-CG 4.07Å; F101-Q148 HydrophobicContact CE2-CB 4.04Å; F101-Q148 HydrophobicContact CE2-CG 3.99Å; F101-Q148 HydrophobicContact CG-CB 4Å; F101-Q148 HydrophobicContact CG-CG 4.31Å; F101-Q148 HydrophobicContact CZ-CB 4.46Å; F101-Q148 HydrophobicContact CZ-CG 3.95Å; F101-L151 HydrophobicContact CD2-CB 4.31Å; F101-L151 HydrophobicContact CE2-CB 4.06Å; F101-L151 HydrophobicContact CE2-CD1 3.83Å; F101-Y178 HydrophobicContact CD1-CD1 4.25Å; F101-Y178 AromaticContact CE1-CD1 3.57Å; F101-Y178 HydrophobicContact CE1-CD1 3.57Å; F101-Y178 HydrophobicContact CE1-CE1 4.08Å; F101-Y178 HydrophobicContact CZ-CD1 4.36Å; F101-Y178 HydrophobicContact CZ-CE1 4.48Å; F101-L179 VanDerWaalsContact CA-O 3.32Å; F101-L179 WeakPolarHBondContact CA-O 3.41Å; F101-K180 CarbonylContact O-C 3.6Å; F101-K180 WeakPolarHBondContact O-CA 3.41Å; F101-I181 PolarHBondContact O-N 3.33Å; F101-I304 HydrophobicContact CE2-CG2 4.24Å; F101-I304 HydrophobicContact CZ-CG2 3.95Å; F101-I304 WeakPolarHBondContact CZ-O 3.46Å; F101-K307 HydrophobicContact CE1-CG 4.21Å
102	L	98.5	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-108.6	149	172.2	-53.1	-178.5	0	0	0	108.5	I97 F99 A152 Y155 L156 K180 I181 F184	I97-L102 HydrophobicContact CB-CD1 4.44Å; I97-L102 HydrophobicContact CD1-CB 4.21Å; I97-L102 HydrophobicContact CD1-CD1 3.82Å; F99-L102 HydrophobicContact CB-CB 4.37Å; F99-L102 HydrophobicContact CB-CD1 3.73Å; F99-L102 HydrophobicContact CB-CG 3.84Å; F99-L102 HydrophobicContact CD1-CG 4.2Å; F99-L102 HydrophobicContact CG-CG 4.48Å; F99-L102 PolarHBondContact O-N 2.77Å; L102-A152 HydrophobicContact CD2-CB 3.93Å; L102-Y155 HydrophobicContact CD1-CD1 3.78Å; L102-Y155 HydrophobicContact CD1-CE1 3.74Å; L102-L156 HydrophobicContact CD1-CD2 3.82Å; L102-L156 HydrophobicContact CD1-CG 4.15Å; L102-L156 HydrophobicContact CD2-CD1 4.44Å; L102-K180 VanDerWaalsContact O-CD 3.25Å; L102-K180 WeakPolarHBondContact O-CD 3.49Å; L102-K180 PolarHBondContact O-NZ 2.91Å; L102-I181 HydrophobicContact CD2-CB 3.73Å; L102-I181 HydrophobicContact CD2-CD1 3.74Å; L102-I181 HydrophobicContact CD2-CG1 3.96Å; L102-I181 HydrophobicContact CD2-CG2 4.44Å; L102-F184 HydrophobicContact CB-CZ 4.36Å; L102-F184 HydrophobicContact CD1-CZ 4.27Å; L102-F184 HydrophobicContact CD2-CZ 4.05Å; L102-F184 HydrophobicContact CG-CZ 4.44Å
103	V	97.4	Very high	96.5	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-68.8	132.2	172.9	73.6	0	0	0	0	109.9	L94 L119 E120 I181 F184	L94-V103 HydrophobicContact CD2-CG1 3.99Å; V103-L119 HydrophobicContact CB-CD2 4.47Å; V103-L119 HydrophobicContact CG1-CD2 3.64Å; V103-L119 HydrophobicContact CG2-CB 3.97Å; V103-L119 HydrophobicContact CG2-CD2 3.98Å; V103-E120 WeakPolarHBondContact CA-OE1 3.17Å; V103-E120 HydrophobicContact CG2-CG 3.65Å; V103-I181 WeakPolarHBondContact CB-O 3.37Å; V103-I181 WeakPolarHBondContact CG1-O 3.21Å; V103-I181 PolarHBondContact N-O 3.3Å; V103-F184 HydrophobicContact CG1-CE2 4.39Å
104	N	96.4	Very high	96.3	Very high	49 Å²	49	24.5 Å²	24.5	26%	0.262	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-92.9	127.7	179.1	-71.8	-21.7	0	0	0	110.6	L119 E120	N104-L119 CarbonylContact O-C 3.58Å; N104-L119 WeakPolarHBondContact O-CA 3.37Å; N104-E120 HydrophobicContact CB-CG 4.44Å; N104-E120 PolarHBondContact N-OE1 3.16Å; N104-E120 PolarHBondContact O-N 3.44Å
105	M	97.6	Very high	96.2	Very high	28 Å²	28	24.3 Å²	24.3	14%	0.138	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.2	168.8	-172.8	175.6	75.6	0	0	109.4	K91 L94 Q95 F107 M117	K91-M105 HydrophobicContact CG-CE 4.14Å; K91-M105 HydrophobicContact CG-SD 4.43Å; L94-M105 HydrophobicContact CB-CB 3.97Å; L94-M105 HydrophobicContact CB-CE 4.21Å; L94-M105 HydrophobicContact CB-SD 4Å; L94-M105 HydrophobicContact CD1-SD 4.45Å; Q95-M105 HydrophobicContact CB-CE 3.5Å; Q95-M105 VanDerWaalsContact CB-CE 3.5Å; M105-F107 WeakPolarHBondContact CG-O 3.4Å; M105-M117 HydrophobicContact SD-CB 3.89Å; M105-M117 HydrophobicContact SD-CG 3.83Å; M105-M117 HydrophobicContact SD-SD 4.3Å
106	T	97.2	Very high	96.2	Very high	63 Å²	63	23.1 Å²	23.1	39%	0.387	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-43.1	-178.3	-51.3	0	0	0	0	111.4	Y68 V118	Y68-T106 HydrophobicContact CE1-CG2 4.05Å; Y68-T106 WeakPolarHBondContact CE1-OG1 3.5Å; T106-V118 PolarHBondContact N-O 3.18Å
107	F	98	Very high	96.3	Very high	35 Å²	35	23.1 Å²	23.1	15%	0.154	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.1	179.6	-46.2	-84	0	0	0	111.5	T36 A37 F42 Y68 M105 V118	T36-F107 VanDerWaalsContact OG1-CA 3.3Å; T36-F107 WeakPolarHBondContact OG1-CA 3.48Å; A37-F107 HydrophobicContact CB-CB 3.92Å; A37-F107 HydrophobicContact CB-CD1 3.89Å; A37-F107 HydrophobicContact CB-CG 4.02Å; F42-F107 HydrophobicContact CE1-CD2 4.12Å; F42-F107 HydrophobicContact CE1-CE2 4.24Å; F42-F107 HydrophobicContact CZ-CB 4.49Å; F42-F107 AromaticContact CZ-CD2 3.7Å; F42-F107 HydrophobicContact CZ-CD2 3.7Å; F42-F107 HydrophobicContact CZ-CE2 4.1Å; F42-F107 HydrophobicContact CZ-CG 4.15Å; Y68-F107 HydrophobicContact CE1-CE2 4.46Å; Y68-F107 HydrophobicContact CE2-CE2 4.08Å; Y68-F107 AromaticContact CZ-CE2 3.97Å; M105-F107 WeakPolarHBondContact CG-O 3.4Å; F107-V118 HydrophobicContact CB-CB 3.87Å; F107-V118 HydrophobicContact CB-CG2 3.99Å; F107-V118 HydrophobicContact CD2-CB 4.02Å; F107-V118 HydrophobicContact CD2-CG1 3.89Å; F107-V118 HydrophobicContact CG-CB 4.46Å; F107-V118 PolarHBondContact N-O 3.03Å; F107-V118 PolarHBondContact O-N 3.5Å
108	S	97.8	Very high	96.3	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	137.6	168.8	60.6	0	0	0	0	110.5	N35 T36 K91 Y116	N35-S108 WeakPolarHBondContact CA-O 3.27Å; N35-S108 PolarHBondContact N-O 3.32Å; T36-S108 PolarHBondContact N-O 3.03Å; T36-S108 PolarHBondContact OG1-N 3.46Å; T36-S108 PolarHBondContact OG1-O 3.31Å; K91-S108 WeakPolarHBondContact CE-OG 3.39Å; S108-Y116 WeakPolarHBondContact CA-O 3.15Å
109	F	97.3	Very high	96.3	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	172.1	-179.3	57.6	-88.8	0	0	0	111	A37 L39 F42 M70 Y116 V118 F365	A37-F109 HydrophobicContact CB-CD1 3.88Å; A37-F109 HydrophobicContact CB-CE1 4.09Å; A37-F109 WeakPolarHBondContact O-CB 3.49Å; A37-F109 VanDerWaalsContact O-CG 3.27Å; A37-F109 WeakPolarHBondContact O-CG 3.47Å; L39-F109 HydrophobicContact CB-CE2 3.96Å; L39-F109 HydrophobicContact CB-CZ 4.43Å; L39-F109 HydrophobicContact CD1-CE2 4.45Å; L39-F109 HydrophobicContact CD1-CZ 4.42Å; L39-F109 VanDerWaalsContact N-CE2 3.29Å; F42-F109 HydrophobicContact CD2-CE1 4.37Å; F42-F109 HydrophobicContact CD2-CZ 4.32Å; F42-F109 AromaticContact CE2-CE1 3.76Å; F42-F109 HydrophobicContact CE2-CE1 3.76Å; F42-F109 HydrophobicContact CE2-CZ 4.16Å; M70-F109 HydrophobicContact CE-CE1 4.33Å; M70-F109 HydrophobicContact CE-CZ 3.89Å; F109-Y116 AromaticContact CD2-CD2 3.4Å; F109-Y116 HydrophobicContact CD2-CD2 3.4Å; F109-Y116 VanDerWaalsContact CD2-CD2 3.4Å; F109-Y116 HydrophobicContact CD2-CE2 4.15Å; F109-Y116 AromaticContact CD2-CG 3.75Å; F109-Y116 HydrophobicContact CD2-CG 3.75Å; F109-Y116 HydrophobicContact CE1-CG 4.42Å; F109-Y116 AromaticContact CE2-CD1 3.86Å; F109-Y116 HydrophobicContact CE2-CD1 3.86Å; F109-Y116 AromaticContact CE2-CD2 3.26Å; F109-Y116 HydrophobicContact CE2-CD2 3.26Å; F109-Y116 HydrophobicContact CE2-CE1 4.4Å; F109-Y116 AromaticContact CE2-CE2 3.86Å; F109-Y116 HydrophobicContact CE2-CE2 3.86Å; F109-Y116 AromaticContact CE2-CG 3.26Å; F109-Y116 HydrophobicContact CE2-CG 3.26Å; F109-Y116 HydrophobicContact CG-CD2 4.36Å; F109-Y116 HydrophobicContact CG-CG 4.49Å; F109-Y116 HydrophobicContact CZ-CD1 4.05Å; F109-Y116 HydrophobicContact CZ-CD2 4.14Å; F109-Y116 AromaticContact CZ-CG 3.66Å; F109-Y116 HydrophobicContact CZ-CG 3.66Å; F109-Y116 PolarHBondContact N-O 3.16Å; F109-Y116 VanDerWaalsContact N-O 3.07Å; F109-Y116 WeakPolarHBondContact O-CB 3.4Å; F109-Y116 WeakPolarHBondContact O-CD2 3.47Å; F109-Y116 PolarHBondContact O-N 3.23Å; F109-V118 HydrophobicContact CE1-CG2 3.84Å; F109-F365 VanDerWaalsContact O-CE1 3.23Å; F109-F365 WeakPolarHBondContact O-CE1 3.33Å
110	K	95.2	Very high	96.2	Very high	51 Å²	51	21.4 Å²	21.4	22%	0.222	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.9	176.3	66.6	-158.9	171.2	-139.4	0	110.8	N35 N114 L115 F362 V363 F365	N35-K110 PolarHBondContact OD1-N 3.17Å; K110-N114 WeakPolarHBondContact CA-O 3.48Å; K110-N114 WeakPolarHBondContact CB-O 3.45Å; K110-L115 HydrophobicContact CB-CD2 3.88Å; K110-F362 WeakPolarHBondContact CD-O 3.22Å; K110-F362 WeakPolarHBondContact CE-O 3.38Å; K110-F362 PolarHBondContact NZ-O 2.98Å; K110-V363 PolarHBondContact NZ-O 2.81Å; K110-F365 HydrophobicContact CB-CD1 4.23Å; K110-F365 HydrophobicContact CD-CB 4.11Å; K110-F365 PolarHBondContact NZ-O 3.05Å
111	D	92.1	Very high	96.1	Very high	29 Å²	29	21 Å²	21	16%	0.155	11%	0.109	C	C	.	.			trans	-119.1	-166.7	164.1	65.5	31.3	0	0	0	109.4	K75 S113 N114 Y116 I352	K75-D111 WeakPolarHBondContact CE-O 3.2Å; K75-D111 PolarHBondContact NZ-O 2.89Å; D111-S113 PolarHBondContact O-N 2.78Å; D111-S113 WeakPolarHBondContact OD1-CA 3.42Å; D111-S113 PolarHBondContact OD1-N 2.82Å; D111-N114 PolarHBondContact N-O 3.14Å; D111-N114 VanDerWaalsContact N-O 3.08Å; D111-N114 PolarHBondContact OD1-N 3.29Å; D111-Y116 HydrophobicContact CB-CE2 4.28Å; D111-Y116 VanDerWaalsContact OD2-CE2 3.22Å; D111-Y116 WeakPolarHBondContact OD2-CE2 3.44Å; D111-Y116 VanDerWaalsContact OD2-CZ 3.25Å; D111-Y116 PolarHBondContact OD2-OH 2.95Å; D111-I352 HydrophobicContact CB-CD1 4.37Å
112	N	89.6	Confident	96	Very high	63 Å²	63	21.6 Å²	21.6	34%	0.337	11%	0.111	S	C	.	.	S	Bend	trans	-63.1	-26.2	-178.1	-60	-16.2	0	0	0	113.4	I352 A353 T355 E359	N112-I352 HydrophobicContact CB-CG2 3.7Å; N112-A353 VanDerWaalsContact CB-O 3.31Å; N112-A353 WeakPolarHBondContact CB-O 3.17Å; N112-T355 PolarHBondContact O-OG1 3.16Å; N112-E359 PolarHBondContact OD1-OE1 3.49Å
113	S	90.5	Very high	95.6	Very high	13 Å²	13	22.2 Å²	22.2	9%	0.091	12%	0.116	C	C	.	.	S	Bend	trans	-110.1	-35.2	-171.5	-61.1	0	0	0	0	113.9	K75 D111 I352 A353	K75-S113 VanDerWaalsContact CB-O 3.32Å; K75-S113 WeakPolarHBondContact CB-O 3.12Å; K75-S113 VanDerWaalsContact CG-O 3.31Å; K75-S113 WeakPolarHBondContact CG-O 3.28Å; K75-S113 PolarHBondContact N-O 3.07Å; D111-S113 PolarHBondContact O-N 2.78Å; D111-S113 WeakPolarHBondContact OD1-CA 3.42Å; D111-S113 PolarHBondContact OD1-N 2.82Å; S113-I352 WeakPolarHBondContact OG-CA 3.46Å; S113-A353 PolarHBondContact OG-N 3.31Å; S113-A353 PolarHBondContact OG-O 3.31Å; S113-A353 VanDerWaalsContact OG-O 3.11Å
114	N	93.7	Very high	95.2	Very high	12 Å²	12	22 Å²	22	6%	0.064	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.2	-165	-61.7	-49.7	0	0	0	113	I72 L73 K110 D111 Y116	I72-N114 HydrophobicContact CG2-CB 4.08Å; L73-N114 CarbonylContact O-C 3.53Å; L73-N114 WeakPolarHBondContact O-CA 3.18Å; K110-N114 WeakPolarHBondContact CA-O 3.48Å; K110-N114 WeakPolarHBondContact CB-O 3.45Å; D111-N114 PolarHBondContact N-O 3.14Å; D111-N114 VanDerWaalsContact N-O 3.08Å; D111-N114 PolarHBondContact OD1-N 3.29Å; N114-Y116 HydrophobicContact CB-CD2 4.37Å; N114-Y116 HydrophobicContact CB-CE1 4.18Å; N114-Y116 HydrophobicContact CB-CE2 3.58Å; N114-Y116 VanDerWaalsContact CB-CZ 3.46Å; N114-Y116 WeakPolarHBondContact CB-OH 3.35Å; N114-Y116 PolarHBondContact ND2-OH 3.09Å; N114-Y116 VanDerWaalsContact ND2-OH 3.17Å
115	L	95.5	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.1	168.3	-49	171.8	0	0	0	108.5	I72 L73 K75 T87 K110 F362 F365	I72-L115 WeakPolarHBondContact CA-O 3.22Å; L73-L115 HydrophobicContact CB-CB 4.26Å; L73-L115 PolarHBondContact N-O 3.12Å; L73-L115 PolarHBondContact O-N 2.78Å; K75-L115 HydrophobicContact CD-CD2 4.31Å; K75-L115 HydrophobicContact CG-CD2 3.95Å; K75-L115 HydrophobicContact CG-CG 3.92Å; T87-L115 HydrophobicContact CG2-CD1 3.65Å; K110-L115 HydrophobicContact CB-CD2 3.88Å; L115-F362 HydrophobicContact CD1-CD1 3.57Å; L115-F362 HydrophobicContact CD1-CE1 3.55Å; L115-F362 HydrophobicContact CD1-CG 4.2Å; L115-F362 HydrophobicContact CD1-CZ 4.16Å; L115-F362 HydrophobicContact CD2-CB 3.88Å; L115-F362 HydrophobicContact CD2-CD1 3.99Å; L115-F362 HydrophobicContact CD2-CD2 4.42Å; L115-F362 HydrophobicContact CD2-CG 3.85Å; L115-F362 HydrophobicContact CG-CD1 4.38Å; L115-F365 HydrophobicContact CB-CD1 4.32Å; L115-F365 HydrophobicContact CB-CD2 4.19Å; L115-F365 HydrophobicContact CB-CE1 3.9Å; L115-F365 HydrophobicContact CB-CE2 3.76Å; L115-F365 HydrophobicContact CB-CG 4.46Å; L115-F365 HydrophobicContact CB-CZ 3.6Å; L115-F365 HydrophobicContact CD1-CD2 3.94Å; L115-F365 HydrophobicContact CD1-CE2 4.01Å; L115-F365 HydrophobicContact CD2-CB 4.2Å; L115-F365 HydrophobicContact CD2-CD1 4.01Å; L115-F365 HydrophobicContact CD2-CD2 4.02Å; L115-F365 HydrophobicContact CD2-CE1 4.44Å; L115-F365 HydrophobicContact CD2-CE2 4.44Å; L115-F365 HydrophobicContact CD2-CG 3.79Å; L115-F365 HydrophobicContact CG-CD2 4.27Å; L115-F365 HydrophobicContact CG-CE2 4.29Å; L115-F365 HydrophobicContact CG-CG 4.49Å
116	Y	97.3	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.7	-174.8	-56.9	-92	0	0	0	110	L39 M70 K71 I72 S108 F109 D111 N114 F365	L39-Y116 HydrophobicContact CD1-CD1 4.11Å; L39-Y116 HydrophobicContact CD1-CE1 3.63Å; L39-Y116 HydrophobicContact CD2-CE1 4.37Å; M70-Y116 HydrophobicContact CG-CD1 4.22Å; M70-Y116 HydrophobicContact SD-CD1 3.72Å; M70-Y116 HydrophobicContact SD-CE1 4.32Å; K71-Y116 WeakPolarHBondContact O-CA 3.49Å; I72-Y116 HydrophobicContact CB-CD1 4.38Å; I72-Y116 HydrophobicContact CB-CE1 4.37Å; I72-Y116 HydrophobicContact CD1-CE1 4.32Å; I72-Y116 HydrophobicContact CG1-CD1 3.88Å; I72-Y116 HydrophobicContact CG1-CE1 4.04Å; I72-Y116 HydrophobicContact CG2-CD1 4.04Å; I72-Y116 HydrophobicContact CG2-CE1 3.61Å; S108-Y116 WeakPolarHBondContact CA-O 3.15Å; F109-Y116 AromaticContact CD2-CD2 3.4Å; F109-Y116 HydrophobicContact CD2-CD2 3.4Å; F109-Y116 VanDerWaalsContact CD2-CD2 3.4Å; F109-Y116 HydrophobicContact CD2-CE2 4.15Å; F109-Y116 AromaticContact CD2-CG 3.75Å; F109-Y116 HydrophobicContact CD2-CG 3.75Å; F109-Y116 HydrophobicContact CE1-CG 4.42Å; F109-Y116 AromaticContact CE2-CD1 3.86Å; F109-Y116 HydrophobicContact CE2-CD1 3.86Å; F109-Y116 AromaticContact CE2-CD2 3.26Å; F109-Y116 HydrophobicContact CE2-CD2 3.26Å; F109-Y116 HydrophobicContact CE2-CE1 4.4Å; F109-Y116 AromaticContact CE2-CE2 3.86Å; F109-Y116 HydrophobicContact CE2-CE2 3.86Å; F109-Y116 AromaticContact CE2-CG 3.26Å; F109-Y116 HydrophobicContact CE2-CG 3.26Å; F109-Y116 HydrophobicContact CG-CD2 4.36Å; F109-Y116 HydrophobicContact CG-CG 4.49Å; F109-Y116 HydrophobicContact CZ-CD1 4.05Å; F109-Y116 HydrophobicContact CZ-CD2 4.14Å; F109-Y116 AromaticContact CZ-CG 3.66Å; F109-Y116 HydrophobicContact CZ-CG 3.66Å; F109-Y116 PolarHBondContact N-O 3.16Å; F109-Y116 VanDerWaalsContact N-O 3.07Å; F109-Y116 WeakPolarHBondContact O-CB 3.4Å; F109-Y116 WeakPolarHBondContact O-CD2 3.47Å; F109-Y116 PolarHBondContact O-N 3.23Å; D111-Y116 HydrophobicContact CB-CE2 4.28Å; D111-Y116 VanDerWaalsContact OD2-CE2 3.22Å; D111-Y116 WeakPolarHBondContact OD2-CE2 3.44Å; D111-Y116 VanDerWaalsContact OD2-CZ 3.25Å; D111-Y116 PolarHBondContact OD2-OH 2.95Å; N114-Y116 HydrophobicContact CB-CD2 4.37Å; N114-Y116 HydrophobicContact CB-CE1 4.18Å; N114-Y116 HydrophobicContact CB-CE2 3.58Å; N114-Y116 VanDerWaalsContact CB-CZ 3.46Å; N114-Y116 WeakPolarHBondContact CB-OH 3.35Å; N114-Y116 PolarHBondContact ND2-OH 3.09Å; N114-Y116 VanDerWaalsContact ND2-OH 3.17Å; Y116-F365 WeakPolarHBondContact O-CE1 3.3Å
117	M	97.8	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.9	167.3	-64.9	178.7	-87.6	0	0	108.1	M70 K71 L73 E90 K91 L94 M105 L119 F365	M70-M117 CarbonylContact C-O 3.49Å; M70-M117 WeakPolarHBondContact CA-O 3.47Å; K71-M117 HydrophobicContact CB-CB 4.36Å; K71-M117 HydrophobicContact CD-CE 3.85Å; K71-M117 HydrophobicContact CG-CE 4.35Å; K71-M117 PolarHBondContact N-O 2.88Å; K71-M117 PolarHBondContact O-N 3.47Å; L73-M117 HydrophobicContact CD1-CE 3.53Å; L73-M117 HydrophobicContact CG-CE 4.49Å; E90-M117 HydrophobicContact CG-SD 4.42Å; K91-M117 HydrophobicContact CB-SD 3.98Å; K91-M117 HydrophobicContact CG-CG 4.47Å; K91-M117 HydrophobicContact CG-SD 4.44Å; L94-M117 HydrophobicContact CD1-SD 3.98Å; M105-M117 HydrophobicContact SD-CB 3.89Å; M105-M117 HydrophobicContact SD-CG 3.83Å; M105-M117 HydrophobicContact SD-SD 4.3Å; M117-L119 HydrophobicContact CB-CD1 4.15Å; M117-L119 WeakPolarHBondContact O-CD1 3.49Å; M117-F365 HydrophobicContact CG-CE2 4.42Å; M117-F365 HydrophobicContact CG-CZ 3.79Å
118	V	98.2	Very high	94.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	105.1	-178.7	-172.6	0	0	0	0	108.5	F42 Y68 M70 T106 F107 F109	F42-V118 HydrophobicContact CE1-CG1 3.95Å; F42-V118 HydrophobicContact CE1-CG2 4.46Å; F42-V118 HydrophobicContact CE2-CG2 4.32Å; F42-V118 HydrophobicContact CZ-CG1 4.2Å; F42-V118 HydrophobicContact CZ-CG2 4.03Å; Y68-V118 HydrophobicContact CD1-CG1 4.02Å; Y68-V118 HydrophobicContact CD2-CG1 4.22Å; Y68-V118 HydrophobicContact CG-CG1 3.62Å; M70-V118 HydrophobicContact CE-CG2 3.86Å; M70-V118 HydrophobicContact CG-CG2 4.16Å; T106-V118 PolarHBondContact N-O 3.18Å; F107-V118 HydrophobicContact CB-CB 3.87Å; F107-V118 HydrophobicContact CB-CG2 3.99Å; F107-V118 HydrophobicContact CD2-CB 4.02Å; F107-V118 HydrophobicContact CD2-CG1 3.89Å; F107-V118 HydrophobicContact CG-CB 4.46Å; F107-V118 PolarHBondContact N-O 3.03Å; F107-V118 PolarHBondContact O-N 3.5Å; F109-V118 HydrophobicContact CE1-CG2 3.84Å
119	L	97.8	Very high	93.9	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.073	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	156.5	-176.2	-54.6	104.7	0	0	0	110.9	Y68 A69 K71 L94 V103 N104 M117 F121	Y68-L119 WeakPolarHBondContact CA-O 3.34Å; Y68-L119 WeakPolarHBondContact CB-O 3.38Å; Y68-L119 WeakPolarHBondContact CD1-O 3.33Å; A69-L119 PolarHBondContact N-O 2.92Å; A69-L119 PolarHBondContact O-N 3.28Å; K71-L119 HydrophobicContact CB-CD1 3.99Å; L94-L119 HydrophobicContact CD1-CD2 4.06Å; L94-L119 HydrophobicContact CD2-CD2 4.26Å; V103-L119 HydrophobicContact CB-CD2 4.47Å; V103-L119 HydrophobicContact CG1-CD2 3.64Å; V103-L119 HydrophobicContact CG2-CB 3.97Å; V103-L119 HydrophobicContact CG2-CD2 3.98Å; N104-L119 CarbonylContact O-C 3.58Å; N104-L119 WeakPolarHBondContact O-CA 3.37Å; M117-L119 HydrophobicContact CB-CD1 4.15Å; M117-L119 WeakPolarHBondContact O-CD1 3.49Å; L119-F121 PolarHBondContact O-N 3.4Å
120	E	96.3	Very high	93.5	Very high	45 Å²	45	22 Å²	22	21%	0.21	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	138.2	169.3	66.3	-179.3	135.4	0	0	110.9	V103 N104 I122 K180	V103-E120 WeakPolarHBondContact CA-OE1 3.17Å; V103-E120 HydrophobicContact CG2-CG 3.65Å; N104-E120 HydrophobicContact CB-CG 4.44Å; N104-E120 PolarHBondContact N-OE1 3.16Å; N104-E120 PolarHBondContact O-N 3.44Å; E120-I122 HydrophobicContact CG-CD1 3.75Å; E120-I122 HydrophobicContact CG-CG1 4.34Å; E120-K180 VanDerWaalsContact CD-NZ 3.33Å; E120-K180 VanDerWaalsContact OE1-CE 3.32Å; E120-K180 WeakPolarHBondContact OE1-CE 3.19Å; E120-K180 IonicContact OE1-NZ 2.68Å; E120-K180 PolarHBondContact OE1-NZ 3.21Å; E120-K180 WeakPolarHBondContact OE2-CE 3.49Å; E120-K180 IonicContact OE2-NZ 3.68Å; E120-K180 PolarHBondContact OE2-NZ 3.16Å
121	F	96.2	Very high	93.4	Very high	28 Å²	28	19.6 Å²	19.6	12%	0.123	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-84.1	120.9	178.2	175.8	-124.9	0	0	0	110.7	L48 L58 A69 L119 P334 D336 T337 F340	L48-F121 HydrophobicContact CD1-CD2 3.85Å; L48-F121 HydrophobicContact CD1-CE2 3.66Å; L48-F121 HydrophobicContact CD2-CE2 4.04Å; L58-F121 HydrophobicContact CD1-CB 4.39Å; L58-F121 HydrophobicContact CD1-CD1 3.72Å; L58-F121 HydrophobicContact CD1-CD2 3.9Å; L58-F121 HydrophobicContact CD1-CE1 3.88Å; L58-F121 HydrophobicContact CD1-CE2 4.07Å; L58-F121 HydrophobicContact CD1-CG 3.73Å; L58-F121 HydrophobicContact CD1-CZ 4.05Å; A69-F121 HydrophobicContact CB-CD2 4.47Å; L119-F121 PolarHBondContact O-N 3.4Å; F121-P334 WeakPolarHBondContact CD1-O 3.3Å; F121-D336 VanDerWaalsContact CZ-O 3.3Å; F121-D336 WeakPolarHBondContact CZ-O 3.08Å; F121-T337 HydrophobicContact CZ-CG2 4.21Å; F121-F340 AromaticContact CE2-CE2 3.57Å; F121-F340 HydrophobicContact CE2-CE2 3.57Å; F121-F340 AromaticContact CE2-CZ 3.67Å; F121-F340 HydrophobicContact CE2-CZ 3.67Å; F121-F340 AromaticContact CZ-CE2 3.8Å; F121-F340 HydrophobicContact CZ-CE2 3.8Å; F121-F340 HydrophobicContact CZ-CZ 4.36Å
122	I	94.9	Very high	93.4	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.056	12%	0.115	C	C	.	.			trans	-107	99.5	178.4	-51.4	-54.2	0	0	0	109.2	E120 G124 L172 I173 D174 K180 F340	E120-I122 HydrophobicContact CG-CD1 3.75Å; E120-I122 HydrophobicContact CG-CG1 4.34Å; I122-G124 VanDerWaalsContact C-N 3.34Å; I122-G124 PolarHBondContact O-N 2.85Å; I122-L172 HydrophobicContact CB-CB 4Å; I122-L172 HydrophobicContact CB-CD1 3.88Å; I122-L172 HydrophobicContact CG1-CD1 4.18Å; I122-L172 HydrophobicContact CG2-CB 3.62Å; I122-L172 HydrophobicContact CG2-CD1 4.45Å; I122-I173 WeakPolarHBondContact CG2-O 3.24Å; I122-D174 HydrophobicContact CG2-CB 4.05Å; I122-K180 HydrophobicContact CD1-CB 4.3Å; I122-K180 HydrophobicContact CD1-CD 4.29Å; I122-K180 HydrophobicContact CD1-CG 3.69Å; I122-K180 HydrophobicContact CG1-CB 3.96Å; I122-K180 HydrophobicContact CG1-CG 3.93Å; I122-K180 HydrophobicContact CG2-CB 4.45Å; I122-K180 HydrophobicContact CG2-CG 4.48Å; I122-F340 WeakPolarHBondContact O-CZ 3.47Å
123	S	90.4	Very high	93.3	Very high	13 Å²	13	27.3 Å²	27.3	9%	0.091	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.2	-167.1	52.6	0	0	0	0	115.5	G125 V331 H339	S123-G125 VanDerWaalsContact C-N 3.26Å; S123-G125 PolarHBondContact O-N 3.42Å; S123-V331 WeakPolarHBondContact OG-CG1 3.3Å; S123-V331 WeakPolarHBondContact OG-CG2 3.42Å; S123-H339 PolarHBondContact O-CD2 3Å
124	G	89.5	Confident	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3	-174.8	0	0	0	0	0	115.2	I122 H130 I173	I122-G124 VanDerWaalsContact C-N 3.34Å; I122-G124 PolarHBondContact O-N 2.85Å; G124-H130 PolarHBondContact O-NE2 3.36Å; G124-I173 CarbonylContact C-O 3.49Å; G124-I173 WeakPolarHBondContact CA-O 3.43Å; G124-I173 PolarHBondContact N-O 2.86Å
125	G	89.7	Confident	93.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	15%	0.145	C	C	.	.			trans	73.2	-171	176.4	0	0	0	0	0	114.2	S123 L172 I173	S123-G125 VanDerWaalsContact C-N 3.26Å; S123-G125 PolarHBondContact O-N 3.42Å; G125-L172 CarbonylContact O-C 3.29Å; G125-L172 WeakPolarHBondContact O-CA 3.44Å; G125-I173 PolarHBondContact O-N 2.66Å
126	E	92.2	Very high	93	Very high	73 Å²	73	35.1 Å²	35.1	34%	0.341	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-79.7	139.6	-172	-61.6	169	-173	0	0	113	F128 S129 H130 L172	E126-F128 HydrophobicContact CB-CB 4.35Å; E126-F128 PolarHBondContact O-N 3.03Å; E126-S129 PolarHBondContact O-N 3.27Å; E126-H130 PolarHBondContact O-CD2 2.91Å; E126-H130 PolarHBondContact O-N 3.07Å; E126-L172 HydrophobicContact CG-CD2 3.84Å
127	M	94.2	Very high	92.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.5	-35.9	170.3	174.3	-178.3	-76.8	0	0	111.1	S129 H130 L131 F137 Y145 P168 L171 I173 L179 L226 M230	M127-S129 VanDerWaalsContact C-N 3.34Å; M127-S129 PolarHBondContact O-N 2.88Å; M127-H130 PolarHBondContact O-N 3.3Å; M127-L131 WeakPolarHBondContact O-CB 3.34Å; M127-L131 PolarHBondContact O-N 2.83Å; M127-F137 HydrophobicContact CE-CE2 4.33Å; M127-F137 HydrophobicContact CG-CE2 4.12Å; M127-F137 HydrophobicContact CG-CZ 4.3Å; M127-F137 HydrophobicContact SD-CE2 4.28Å; M127-Y145 HydrophobicContact CE-CD1 3.93Å; M127-Y145 HydrophobicContact CE-CD2 3.78Å; M127-Y145 HydrophobicContact CE-CE1 4.4Å; M127-Y145 HydrophobicContact CE-CE2 4.26Å; M127-Y145 HydrophobicContact CE-CG 3.59Å; M127-P168 HydrophobicContact CB-CB 4.44Å; M127-P168 HydrophobicContact CG-CB 4.27Å; M127-L171 HydrophobicContact CB-CB 4Å; M127-L171 WeakPolarHBondContact CB-O 3.44Å; M127-L171 HydrophobicContact CE-CD1 4.21Å; M127-L171 PolarHBondContact N-O 2.88Å; M127-L171 HydrophobicContact SD-CD1 3.83Å; M127-I173 HydrophobicContact CB-CD1 4.49Å; M127-L179 HydrophobicContact CE-CD1 3.91Å; M127-L179 HydrophobicContact CE-CD2 3.38Å; M127-L179 HydrophobicContact CE-CG 4.27Å; M127-L226 HydrophobicContact SD-CD1 4.38Å; M127-M230 HydrophobicContact CE-SD 4.02Å; M127-M230 HydrophobicContact SD-CG 4.21Å; M127-M230 HydrophobicContact SD-SD 3.88Å
128	F	93	Very high	92.5	Very high	64 Å²	64	37.1 Å²	37.1	28%	0.281	18%	0.179	S	C	.	.	H	α-helix	trans	-51.1	-53	176.5	-178.5	-95.8	0	0	0	112.1	E126 H130 L131 R132 P168 E169	E126-F128 HydrophobicContact CB-CB 4.35Å; E126-F128 PolarHBondContact O-N 3.03Å; F128-H130 VanDerWaalsContact C-N 3.31Å; F128-H130 PolarHBondContact O-N 3.09Å; F128-L131 PolarHBondContact O-N 3.44Å; F128-R132 HydrophobicContact CD1-CG 4.23Å; F128-R132 HydrophobicContact CD2-CG 4.46Å; F128-R132 HydrophobicContact CE1-CG 3.9Å; F128-R132 HydrophobicContact CE2-CG 4.15Å; F128-R132 HydrophobicContact CG-CG 4.5Å; F128-R132 HydrophobicContact CZ-CG 3.85Å; F128-R132 WeakPolarHBondContact O-CB 3.25Å; F128-R132 VanDerWaalsContact O-CG 3.27Å; F128-R132 WeakPolarHBondContact O-CG 3.19Å; F128-R132 PolarHBondContact O-N 2.83Å; F128-P168 HydrophobicContact CB-CB 3.86Å; F128-P168 HydrophobicContact CD2-CB 4.25Å; F128-P168 PolarHBondContact N-O 2.93Å; F128-P168 VanDerWaalsContact N-O 3.16Å; F128-E169 HydrophobicContact CB-CG 3.98Å; F128-E169 HydrophobicContact CD2-CG 3.95Å; F128-E169 WeakPolarHBondContact CD2-OE1 3.27Å; F128-E169 HydrophobicContact CG-CG 3.94Å
129	S	90.2	Very high	92.4	Very high	42 Å²	42	38.6 Å²	38.6	29%	0.294	19%	0.186	S	C	.	.	H	α-helix	trans	-60.2	-41.6	-179.6	-73.5	0	0	0	0	112	E126 M127 R133	E126-S129 PolarHBondContact O-N 3.27Å; M127-S129 VanDerWaalsContact C-N 3.34Å; M127-S129 PolarHBondContact O-N 2.88Å; S129-R133 WeakPolarHBondContact O-CB 3.35Å; S129-R133 PolarHBondContact O-N 3.27Å; S129-R133 VanDerWaalsContact O-N 3.09Å
130	H	89.3	Confident	92.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-44	177.9	-66.7	-61.8	0	0	0	112.7	G124 E126 M127 F128 R132 R133 I134 I173 A326	G124-H130 PolarHBondContact O-NE2 3.36Å; E126-H130 PolarHBondContact O-CD2 2.91Å; E126-H130 PolarHBondContact O-N 3.07Å; M127-H130 PolarHBondContact O-N 3.3Å; F128-H130 VanDerWaalsContact C-N 3.31Å; F128-H130 PolarHBondContact O-N 3.09Å; H130-R132 PolarHBondContact O-N 3.22Å; H130-R133 PolarHBondContact O-N 2.98Å; H130-I134 WeakPolarHBondContact O-CG1 3.26Å; H130-I134 PolarHBondContact O-N 3.03Å; H130-I173 HydrophobicContact CB-CD1 4.5Å; H130-A326 HydrophobicContact CB-CB 4.23Å; H130-A326 WeakPolarHBondContact CB-O 3.34Å; H130-A326 WeakPolarHBondContact ND1-CA 3.27Å; H130-A326 PolarHBondContact ND1-O 2.92Å; H130-A326 VanDerWaalsContact ND1-O 3.07Å
131	L	92.2	Very high	92	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-45	178.4	-179.3	59.5	0	0	0	111	M127 F128 R133 I134 G135 F137 E229	M127-L131 WeakPolarHBondContact O-CB 3.34Å; M127-L131 PolarHBondContact O-N 2.83Å; F128-L131 PolarHBondContact O-N 3.44Å; L131-R133 PolarHBondContact O-N 3.44Å; L131-I134 PolarHBondContact O-N 3.48Å; L131-G135 CarbonylContact O-C 3.57Å; L131-G135 WeakPolarHBondContact O-CA 3.27Å; L131-G135 PolarHBondContact O-N 3.24Å; L131-F137 HydrophobicContact CB-CE1 4.3Å; L131-F137 HydrophobicContact CB-CZ 3.97Å; L131-F137 HydrophobicContact CD1-CD1 4Å; L131-F137 HydrophobicContact CD1-CD2 4.19Å; L131-F137 HydrophobicContact CD1-CE1 3.97Å; L131-F137 HydrophobicContact CD1-CE2 4.18Å; L131-F137 HydrophobicContact CD1-CG 4.1Å; L131-F137 HydrophobicContact CD1-CZ 4.07Å; L131-E229 HydrophobicContact CD2-CG 3.98Å
132	R	92.2	Very high	92	Very high	114 Å²	114	37.4 Å²	37.4	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-64.2	-39.2	177.7	-67	-70.2	160.3	-152.7	-6.7	112.1	F128 H130 E229 G233	F128-R132 HydrophobicContact CD1-CG 4.23Å; F128-R132 HydrophobicContact CD2-CG 4.46Å; F128-R132 HydrophobicContact CE1-CG 3.9Å; F128-R132 HydrophobicContact CE2-CG 4.15Å; F128-R132 HydrophobicContact CG-CG 4.5Å; F128-R132 HydrophobicContact CZ-CG 3.85Å; F128-R132 WeakPolarHBondContact O-CB 3.25Å; F128-R132 VanDerWaalsContact O-CG 3.27Å; F128-R132 WeakPolarHBondContact O-CG 3.19Å; F128-R132 PolarHBondContact O-N 2.83Å; H130-R132 PolarHBondContact O-N 3.22Å; R132-E229 IonicContact CZ-OE1 3.92Å; R132-E229 IonicContact NH2-OE1 2.78Å; R132-E229 PolarHBondContact NH2-OE1 2.85Å; R132-G233 PolarHBondContact NH1-O 3.44Å
133	R	88.6	Confident	92	Very high	141 Å²	141	38.8 Å²	38.8	53%	0.532	19%	0.19	S	C	.	.	H	α-helix	trans	-67.3	-41.6	177.3	-171.4	-174.1	-61.3	145.5	1	113	S129 H130 L131	S129-R133 WeakPolarHBondContact O-CB 3.35Å; S129-R133 PolarHBondContact O-N 3.27Å; S129-R133 VanDerWaalsContact O-N 3.09Å; H130-R133 PolarHBondContact O-N 2.98Å; L131-R133 PolarHBondContact O-N 3.44Å
134	I	88	Confident	92.3	Very high	40 Å²	40	38.7 Å²	38.7	21%	0.205	19%	0.188	C	C	.	.	H	α-helix	trans	-77.1	-29.1	178.5	-64.4	171.3	0	0	0	111.2	H130 L131 R136 F137 L323 A326 L327	H130-I134 WeakPolarHBondContact O-CG1 3.26Å; H130-I134 PolarHBondContact O-N 3.03Å; L131-I134 PolarHBondContact O-N 3.48Å; I134-R136 VanDerWaalsContact C-N 3.35Å; I134-R136 VanDerWaalsContact CG2-O 3.28Å; I134-R136 WeakPolarHBondContact CG2-O 3.31Å; I134-R136 PolarHBondContact O-N 3.43Å; I134-F137 HydrophobicContact CB-CE1 4.46Å; I134-F137 HydrophobicContact CD1-CD1 3.94Å; I134-F137 HydrophobicContact CD1-CE1 3.54Å; I134-F137 HydrophobicContact CG2-CD1 4.49Å; I134-L323 HydrophobicContact CD1-CD1 4.19Å; I134-L323 HydrophobicContact CG2-CD1 3.6Å; I134-A326 HydrophobicContact CD1-CB 3.25Å; I134-A326 HydrophobicContact CG1-CB 3.47Å; I134-A326 VanDerWaalsContact CG1-CB 3.47Å; I134-L327 HydrophobicContact CD1-CD2 4.47Å; I134-L327 HydrophobicContact CD1-CG 4.35Å
135	G	92.6	Very high	92.6	Very high	38 Å²	38	38.7 Å²	38.7	39%	0.392	19%	0.188	S	C	.	.	S	Bend	trans	93.1	-56.5	-172.5	0	0	0	0	0	111.4	L131 G233	L131-G135 CarbonylContact O-C 3.57Å; L131-G135 WeakPolarHBondContact O-CA 3.27Å; L131-G135 PolarHBondContact O-N 3.24Å; G135-G233 WeakPolarHBondContact O-CA 3.47Å
136	R	93.5	Very high	93	Very high	110 Å²	110	38.6 Å²	38.6	42%	0.415	19%	0.187	S	C	.	.			trans	-155.8	150.3	172.9	69.4	-171.9	-178.5	94.5	-2.5	112	I134 H259	I134-R136 VanDerWaalsContact C-N 3.35Å; I134-R136 VanDerWaalsContact CG2-O 3.28Å; I134-R136 WeakPolarHBondContact CG2-O 3.31Å; I134-R136 PolarHBondContact O-N 3.43Å; R136-H259 PolarHBondContact NH1-CD2 2.8Å; R136-H259 PolarHBondContact NH1-NE2 3.29Å; R136-H259 VanDerWaalsContact NH1-NE2 3.16Å
137	F	92	Very high	93.3	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.171	C	C	.	.			trans	-81.1	150.6	170.5	-59.7	-21.4	0	0	0	111	M127 L131 I134 H141 Y145 M230 L327	M127-F137 HydrophobicContact CE-CE2 4.33Å; M127-F137 HydrophobicContact CG-CE2 4.12Å; M127-F137 HydrophobicContact CG-CZ 4.3Å; M127-F137 HydrophobicContact SD-CE2 4.28Å; L131-F137 HydrophobicContact CB-CE1 4.3Å; L131-F137 HydrophobicContact CB-CZ 3.97Å; L131-F137 HydrophobicContact CD1-CD1 4Å; L131-F137 HydrophobicContact CD1-CD2 4.19Å; L131-F137 HydrophobicContact CD1-CE1 3.97Å; L131-F137 HydrophobicContact CD1-CE2 4.18Å; L131-F137 HydrophobicContact CD1-CG 4.1Å; L131-F137 HydrophobicContact CD1-CZ 4.07Å; I134-F137 HydrophobicContact CB-CE1 4.46Å; I134-F137 HydrophobicContact CD1-CD1 3.94Å; I134-F137 HydrophobicContact CD1-CE1 3.54Å; I134-F137 HydrophobicContact CG2-CD1 4.49Å; F137-H141 HydrophobicContact CB-CB 4.01Å; F137-Y145 AromaticContact CD2-CD2 3.89Å; F137-Y145 HydrophobicContact CD2-CD2 3.89Å; F137-Y145 HydrophobicContact CD2-CE2 4.02Å; F137-Y145 AromaticContact CE2-CD2 3.8Å; F137-Y145 HydrophobicContact CE2-CD2 3.8Å; F137-Y145 AromaticContact CE2-CE2 3.71Å; F137-Y145 HydrophobicContact CE2-CE2 3.71Å; F137-Y145 HydrophobicContact CZ-CE2 4.27Å; F137-M230 WeakPolarHBondContact CB-O 3.47Å; F137-M230 HydrophobicContact CD2-CB 3.9Å; F137-M230 HydrophobicContact CD2-CG 3.86Å; F137-M230 HydrophobicContact CD2-SD 3.99Å; F137-M230 HydrophobicContact CE2-CG 4.14Å; F137-M230 HydrophobicContact CE2-SD 4.21Å; F137-M230 PolarHBondContact N-O 3.4Å; F137-L327 HydrophobicContact CD1-CD2 4.34Å; F137-L327 HydrophobicContact CE1-CD2 4.09Å; F137-L327 HydrophobicContact CZ-CD2 4.31Å
138	S	92.7	Very high	93.5	Very high	41 Å²	41	35.1 Å²	35.1	29%	0.287	17%	0.171	S	C	.	.			trans	-73.7	156	167.2	69.5	0	0	0	0	110.1	P140 H141 S142	S138-P140 VanDerWaalsContact C-CD 3.48Å; S138-P140 VanDerWaalsContact C-N 3.31Å; S138-H141 WeakPolarHBondContact O-CA 3.24Å; S138-H141 WeakPolarHBondContact O-CB 3.35Å; S138-H141 PolarHBondContact O-N 3.01Å; S138-H141 PolarHBondContact OG-ND1 3.14Å; S138-S142 PolarHBondContact O-N 2.89Å; S138-S142 PolarHBondContact O-OG 3.21Å
139	E	94.9	Very high	93.8	Very high	31 Å²	31	32.1 Å²	32.1	15%	0.145	16%	0.158	C	C	.	.	H	α-helix	trans	-55	-38.6	-177.2	-64.3	-165.9	-156.6	0	0	114.2	H141 S142 R143 S261 L264 W295	E139-H141 VanDerWaalsContact C-N 3.34Å; E139-H141 PolarHBondContact O-N 3.47Å; E139-S142 PolarHBondContact O-N 3.24Å; E139-R143 VanDerWaalsContact O-CB 3.22Å; E139-R143 WeakPolarHBondContact O-CB 3.46Å; E139-R143 PolarHBondContact O-N 3.22Å; E139-S261 VanDerWaalsContact CD-OG 3.3Å; E139-S261 WeakPolarHBondContact OE1-CB 3.36Å; E139-S261 PolarHBondContact OE1-N 2.68Å; E139-S261 PolarHBondContact OE1-OG 2.91Å; E139-S261 WeakPolarHBondContact OE2-CB 3.44Å; E139-S261 PolarHBondContact OE2-OG 2.99Å; E139-L264 HydrophobicContact CG-CD2 3.89Å; E139-W295 HydrophobicContact CB-CZ2 4.31Å; E139-W295 PolarHBondContact OE2-NE1 3.3Å
140	P	93.8	Very high	94.2	Very high	58 Å²	58	30.1 Å²	30.1	38%	0.377	14%	0.144	S	C	.	.	H	α-helix	trans	-58.1	-41.4	171.8	-26.4	36.1	0	0	0	114.1	S138 R143 F144 P312	S138-P140 VanDerWaalsContact C-CD 3.48Å; S138-P140 VanDerWaalsContact C-N 3.31Å; P140-R143 PolarHBondContact O-N 3.21Å; P140-F144 PolarHBondContact O-N 2.89Å; P140-P312 HydrophobicContact CB-CB 4.07Å; P140-P312 HydrophobicContact CB-CG 3.97Å
141	H	92	Very high	94.7	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-69.4	-46	177	-67.6	110.1	0	0	0	111.3	F137 S138 E139 R143 F144 Y145 S313 L323 L327	F137-H141 HydrophobicContact CB-CB 4.01Å; S138-H141 WeakPolarHBondContact O-CA 3.24Å; S138-H141 WeakPolarHBondContact O-CB 3.35Å; S138-H141 PolarHBondContact O-N 3.01Å; S138-H141 PolarHBondContact OG-ND1 3.14Å; E139-H141 VanDerWaalsContact C-N 3.34Å; E139-H141 PolarHBondContact O-N 3.47Å; H141-R143 PolarHBondContact O-N 3.33Å; H141-F144 WeakPolarHBondContact O-CB 3.35Å; H141-F144 PolarHBondContact O-N 3.2Å; H141-Y145 WeakPolarHBondContact O-CD2 3.48Å; H141-Y145 PolarHBondContact O-N 2.87Å; H141-Y145 VanDerWaalsContact O-N 3.16Å; H141-S313 PolarHBondContact NE2-N 2.93Å; H141-S313 PolarHBondContact NE2-OG 3.03Å; H141-L323 WeakPolarHBondContact CE1-CD2 3.14Å; H141-L327 WeakPolarHBondContact CD2-CD1 3.37Å; H141-L327 VanDerWaalsContact NE2-CD1 3.28Å; H141-L327 WeakPolarHBondContact NE2-CD1 3.47Å
142	S	95.6	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-39.1	174.1	-51.3	0	0	0	0	111.5	S138 E139 Y145 A146 M230	S138-S142 PolarHBondContact O-N 2.89Å; S138-S142 PolarHBondContact O-OG 3.21Å; E139-S142 PolarHBondContact O-N 3.24Å; S142-Y145 PolarHBondContact O-N 2.68Å; S142-A146 WeakPolarHBondContact O-CB 3.12Å; S142-A146 PolarHBondContact O-N 3.45Å; S142-M230 WeakPolarHBondContact O-CE 3.41Å
143	R	96.5	Very high	95.3	Very high	41 Å²	41	24.7 Å²	24.7	16%	0.155	12%	0.123	C	C	.	.	H	α-helix	trans	-66.6	-42.2	177.6	-174	-172.7	-57.9	113.9	8.3	112.5	E139 P140 H141 Y145 A146 A147 W295 F296	E139-R143 VanDerWaalsContact O-CB 3.22Å; E139-R143 WeakPolarHBondContact O-CB 3.46Å; E139-R143 PolarHBondContact O-N 3.22Å; P140-R143 PolarHBondContact O-N 3.21Å; H141-R143 PolarHBondContact O-N 3.33Å; R143-Y145 VanDerWaalsContact C-N 3.33Å; R143-Y145 PolarHBondContact O-N 3.36Å; R143-A146 PolarHBondContact O-N 2.84Å; R143-A147 VanDerWaalsContact O-CB 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.39Å; R143-A147 PolarHBondContact O-N 2.61Å; R143-W295 HydrophobicContact CB-CE3 4.32Å; R143-W295 HydrophobicContact CB-CH2 3.51Å; R143-W295 HydrophobicContact CB-CZ2 3.88Å; R143-W295 HydrophobicContact CB-CZ3 3.73Å; R143-W295 WeakPolarHBondContact CD-O 3.28Å; R143-W295 HydrophobicContact CG-CE3 4.07Å; R143-W295 HydrophobicContact CG-CH2 4.15Å; R143-W295 HydrophobicContact CG-CZ3 3.83Å; R143-W295 PolarHBondContact NE-O 2.68Å; R143-F296 HydrophobicContact CG-CD1 3.73Å; R143-F296 HydrophobicContact CG-CE1 3.92Å
144	F	95.3	Very high	95.8	Very high	10 Å²	10	19.4 Å²	19.4	4%	0.044	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-45.8	176.8	171.3	-101.3	0	0	0	111.5	P140 H141 Q148 G177 Y178 I304 I309 P311 P312	P140-F144 PolarHBondContact O-N 2.89Å; H141-F144 WeakPolarHBondContact O-CB 3.35Å; H141-F144 PolarHBondContact O-N 3.2Å; F144-Q148 VanDerWaalsContact CZ-NE2 3.3Å; F144-Q148 PolarHBondContact O-NE2 2.99Å; F144-G177 WeakPolarHBondContact CE1-O 3.41Å; F144-Y178 AromaticContact CE2-CE1 3.9Å; F144-Y178 HydrophobicContact CE2-CE1 3.9Å; F144-Y178 HydrophobicContact CE2-CE2 4.37Å; F144-Y178 AromaticContact CE2-CZ 3.78Å; F144-Y178 AromaticContact CZ-CD1 3.96Å; F144-Y178 HydrophobicContact CZ-CD1 3.96Å; F144-Y178 HydrophobicContact CZ-CD2 4.14Å; F144-Y178 AromaticContact CZ-CE1 3.72Å; F144-Y178 HydrophobicContact CZ-CE1 3.72Å; F144-Y178 AromaticContact CZ-CE2 3.89Å; F144-Y178 HydrophobicContact CZ-CE2 3.89Å; F144-Y178 HydrophobicContact CZ-CG 4.17Å; F144-Y178 AromaticContact CZ-CZ 3.67Å; F144-I304 HydrophobicContact CD2-CD1 3.51Å; F144-I304 HydrophobicContact CE2-CD1 3.66Å; F144-I309 HydrophobicContact CD2-CG2 4.1Å; F144-I309 HydrophobicContact CE2-CB 4.32Å; F144-I309 HydrophobicContact CE2-CG2 4.1Å; F144-P311 HydrophobicContact CD1-CB 4.14Å; F144-P311 HydrophobicContact CD1-CG 4.32Å; F144-P311 HydrophobicContact CE1-CB 3.95Å; F144-P311 HydrophobicContact CE1-CG 3.62Å; F144-P311 HydrophobicContact CE2-CG 4.32Å; F144-P311 HydrophobicContact CZ-CB 4.24Å; F144-P311 HydrophobicContact CZ-CG 3.63Å; F144-P312 HydrophobicContact CB-CG 4.45Å
145	Y	96.8	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.4	-45	176.5	-69.2	-46.1	0	0	0	112.7	M127 F137 H141 S142 R143 A147 Q148 I149 G177 L179 M230 L327	M127-Y145 HydrophobicContact CE-CD1 3.93Å; M127-Y145 HydrophobicContact CE-CD2 3.78Å; M127-Y145 HydrophobicContact CE-CE1 4.4Å; M127-Y145 HydrophobicContact CE-CE2 4.26Å; M127-Y145 HydrophobicContact CE-CG 3.59Å; F137-Y145 AromaticContact CD2-CD2 3.89Å; F137-Y145 HydrophobicContact CD2-CD2 3.89Å; F137-Y145 HydrophobicContact CD2-CE2 4.02Å; F137-Y145 AromaticContact CE2-CD2 3.8Å; F137-Y145 HydrophobicContact CE2-CD2 3.8Å; F137-Y145 AromaticContact CE2-CE2 3.71Å; F137-Y145 HydrophobicContact CE2-CE2 3.71Å; F137-Y145 HydrophobicContact CZ-CE2 4.27Å; H141-Y145 WeakPolarHBondContact O-CD2 3.48Å; H141-Y145 PolarHBondContact O-N 2.87Å; H141-Y145 VanDerWaalsContact O-N 3.16Å; S142-Y145 PolarHBondContact O-N 2.68Å; R143-Y145 VanDerWaalsContact C-N 3.33Å; R143-Y145 PolarHBondContact O-N 3.36Å; Y145-A147 VanDerWaalsContact C-N 3.26Å; Y145-A147 PolarHBondContact O-N 2.84Å; Y145-Q148 WeakPolarHBondContact O-CB 3.48Å; Y145-Q148 PolarHBondContact O-N 3.19Å; Y145-Q148 VanDerWaalsContact O-N 3.08Å; Y145-I149 PolarHBondContact O-N 3.08Å; Y145-G177 WeakPolarHBondContact CE1-O 3.5Å; Y145-L179 HydrophobicContact CD1-CD1 3.71Å; Y145-L179 HydrophobicContact CD1-CD2 3.66Å; Y145-L179 HydrophobicContact CD1-CG 3.56Å; Y145-L179 HydrophobicContact CE1-CD2 3.86Å; Y145-L179 HydrophobicContact CE1-CG 4.1Å; Y145-L179 HydrophobicContact CG-CD1 4.16Å; Y145-L179 HydrophobicContact CG-CD2 4.47Å; Y145-L179 HydrophobicContact CG-CG 4.46Å; Y145-M230 HydrophobicContact CD2-SD 4.14Å; Y145-M230 HydrophobicContact CG-SD 4.37Å; Y145-L327 HydrophobicContact CE2-CD2 3.55Å; Y145-L327 WeakPolarHBondContact OH-CD2 3.45Å
146	A	98.5	Very high	96.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-36.8	177.1	0	0	0	0	0	112.5	S142 R143 Q148 I149 V150 L223 I227 M230 W295 F296	S142-A146 WeakPolarHBondContact O-CB 3.12Å; S142-A146 PolarHBondContact O-N 3.45Å; R143-A146 PolarHBondContact O-N 2.84Å; A146-Q148 VanDerWaalsContact C-N 3.28Å; A146-Q148 PolarHBondContact O-N 3.03Å; A146-I149 PolarHBondContact O-N 3.33Å; A146-V150 VanDerWaalsContact O-CG2 3.29Å; A146-V150 WeakPolarHBondContact O-CG2 3.34Å; A146-V150 PolarHBondContact O-N 2.98Å; A146-L223 HydrophobicContact CB-CD1 4.46Å; A146-I227 HydrophobicContact CB-CD1 3.83Å; A146-I227 HydrophobicContact CB-CG1 3.65Å; A146-M230 HydrophobicContact CB-CE 4.31Å; A146-W295 HydrophobicContact CB-CH2 4.42Å; A146-W295 HydrophobicContact CB-CZ3 4.12Å; A146-F296 HydrophobicContact CB-CE1 4.13Å; A146-F296 HydrophobicContact CB-CZ 3.91Å
147	A	98.3	Very high	96.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-37.9	176.9	0	0	0	0	0	112	R143 Y145 V150 L151 F296 T299 W301 I304	R143-A147 VanDerWaalsContact O-CB 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.39Å; R143-A147 PolarHBondContact O-N 2.61Å; Y145-A147 VanDerWaalsContact C-N 3.26Å; Y145-A147 PolarHBondContact O-N 2.84Å; A147-V150 PolarHBondContact O-N 3.27Å; A147-L151 WeakPolarHBondContact O-CG 3.07Å; A147-L151 PolarHBondContact O-N 3.04Å; A147-L151 VanDerWaalsContact O-N 3.12Å; A147-F296 HydrophobicContact CB-CE1 4.17Å; A147-T299 HydrophobicContact CB-CG2 3.79Å; A147-W301 HydrophobicContact CB-CE3 4.39Å; A147-W301 HydrophobicContact CB-CH2 4.19Å; A147-W301 HydrophobicContact CB-CZ3 3.79Å; A147-W301 WeakPolarHBondContact O-CZ3 3.37Å; A147-I304 HydrophobicContact CB-CG1 4.43Å; A147-I304 HydrophobicContact CB-CG2 4.39Å
148	Q	98.4	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.8	-42.4	176.6	-65.4	165.7	69.3	0	0	111.3	F101 F144 Y145 A146 L151 A152 Y178 L179 I304	F101-Q148 HydrophobicContact CD1-CB 4.39Å; F101-Q148 HydrophobicContact CD1-CG 4.24Å; F101-Q148 HydrophobicContact CD2-CB 3.78Å; F101-Q148 HydrophobicContact CD2-CG 4.16Å; F101-Q148 WeakPolarHBondContact CD2-O 3.15Å; F101-Q148 HydrophobicContact CE1-CG 4.07Å; F101-Q148 HydrophobicContact CE2-CB 4.04Å; F101-Q148 HydrophobicContact CE2-CG 3.99Å; F101-Q148 HydrophobicContact CG-CB 4Å; F101-Q148 HydrophobicContact CG-CG 4.31Å; F101-Q148 HydrophobicContact CZ-CB 4.46Å; F101-Q148 HydrophobicContact CZ-CG 3.95Å; F144-Q148 VanDerWaalsContact CZ-NE2 3.3Å; F144-Q148 PolarHBondContact O-NE2 2.99Å; Y145-Q148 WeakPolarHBondContact O-CB 3.48Å; Y145-Q148 PolarHBondContact O-N 3.19Å; Y145-Q148 VanDerWaalsContact O-N 3.08Å; A146-Q148 VanDerWaalsContact C-N 3.28Å; A146-Q148 PolarHBondContact O-N 3.03Å; Q148-L151 PolarHBondContact O-N 2.94Å; Q148-A152 WeakPolarHBondContact O-CB 3.47Å; Q148-A152 PolarHBondContact O-N 2.92Å; Q148-Y178 HydrophobicContact CG-CD1 4.27Å; Q148-Y178 VanDerWaalsContact OE1-CD1 3.27Å; Q148-L179 HydrophobicContact CB-CD1 4.33Å; Q148-I304 HydrophobicContact CG-CG2 3.78Å
149	I	98.8	Very high	97.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-41	176	-55.8	-55.5	0	0	0	111.5	Y145 A146 L151 A152 F153 L166 L171 L179 I181 L223 L226	Y145-I149 PolarHBondContact O-N 3.08Å; A146-I149 PolarHBondContact O-N 3.33Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.36Å; I149-A152 PolarHBondContact O-N 3.2Å; I149-F153 HydrophobicContact CG2-CD2 3.93Å; I149-F153 HydrophobicContact CG2-CE1 4.3Å; I149-F153 HydrophobicContact CG2-CE2 3.66Å; I149-F153 HydrophobicContact CG2-CG 4.35Å; I149-F153 HydrophobicContact CG2-CZ 3.89Å; I149-F153 WeakPolarHBondContact O-CB 3.35Å; I149-F153 PolarHBondContact O-N 3.32Å; I149-L166 HydrophobicContact CD1-CD1 4.21Å; I149-L166 HydrophobicContact CG2-CD1 4.01Å; I149-L166 HydrophobicContact CG2-CD2 4Å; I149-L171 HydrophobicContact CD1-CD1 4.13Å; I149-L171 HydrophobicContact CD1-CD2 3.62Å; I149-L179 HydrophobicContact CD1-CD1 3.87Å; I149-L179 HydrophobicContact CG1-CD1 4.19Å; I149-I181 HydrophobicContact CD1-CD1 3.79Å; I149-I181 HydrophobicContact CD1-CG1 3.99Å; I149-L223 HydrophobicContact CB-CD1 4.01Å; I149-L223 HydrophobicContact CG2-CD1 3.83Å; I149-L226 HydrophobicContact CG1-CD2 3.97Å
150	V	98.9	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.3	-44.8	175.3	168.3	0	0	0	0	111	A146 A147 E154 W220 L223 V287 I290 K291 F296 W301	A146-V150 VanDerWaalsContact O-CG2 3.29Å; A146-V150 WeakPolarHBondContact O-CG2 3.34Å; A146-V150 PolarHBondContact O-N 2.98Å; A147-V150 PolarHBondContact O-N 3.27Å; V150-E154 VanDerWaalsContact O-CB 3.32Å; V150-E154 WeakPolarHBondContact O-CB 3.49Å; V150-E154 PolarHBondContact O-N 3.13Å; V150-W220 HydrophobicContact CG2-CZ3 4.31Å; V150-L223 HydrophobicContact CG2-CD2 3.53Å; V150-V287 HydrophobicContact CG1-CG2 3.77Å; V150-I290 HydrophobicContact CG1-CG2 4.46Å; V150-I290 HydrophobicContact CG2-CG2 3.81Å; V150-K291 HydrophobicContact CG1-CD 4.27Å; V150-K291 HydrophobicContact CG1-CG 3.74Å; V150-F296 HydrophobicContact CG2-CZ 4.17Å; V150-W301 HydrophobicContact CB-CH2 4.07Å; V150-W301 HydrophobicContact CB-CZ3 3.84Å; V150-W301 HydrophobicContact CG1-CH2 3.8Å; V150-W301 HydrophobicContact CG1-CZ3 3.67Å; V150-W301 HydrophobicContact CG2-CH2 4.39Å
151	L	98.6	Very high	97.7	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-67.2	-39.8	177.6	-70.4	175.6	0	0	0	112.1	F14 F99 F101 A147 Q148 I149 E154 Y155 W301 I304	F14-L151 HydrophobicContact CD1-CD2 4.31Å; F14-L151 HydrophobicContact CE1-CD2 3.56Å; F14-L151 HydrophobicContact CE2-CD2 4.22Å; F14-L151 HydrophobicContact CZ-CD1 4.42Å; F14-L151 HydrophobicContact CZ-CD2 3.51Å; F99-L151 HydrophobicContact CE1-CB 4.18Å; F99-L151 HydrophobicContact CZ-CB 4.01Å; F99-L151 WeakPolarHBondContact CZ-O 3.47Å; F101-L151 HydrophobicContact CD2-CB 4.31Å; F101-L151 HydrophobicContact CE2-CB 4.06Å; F101-L151 HydrophobicContact CE2-CD1 3.83Å; A147-L151 WeakPolarHBondContact O-CG 3.07Å; A147-L151 PolarHBondContact O-N 3.04Å; A147-L151 VanDerWaalsContact O-N 3.12Å; Q148-L151 PolarHBondContact O-N 2.94Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.36Å; L151-E154 PolarHBondContact O-N 2.82Å; L151-Y155 WeakPolarHBondContact O-CB 3.31Å; L151-Y155 PolarHBondContact O-N 3.44Å; L151-W301 HydrophobicContact CD1-CE3 4.17Å; L151-W301 HydrophobicContact CD2-CE3 3.83Å; L151-W301 HydrophobicContact CG-CE3 3.83Å; L151-W301 HydrophobicContact CG-CZ3 4.21Å; L151-I304 HydrophobicContact CD1-CB 4.3Å; L151-I304 HydrophobicContact CD1-CG2 3.83Å
152	A	98.7	Very high	98	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.4	0	0	0	0	0	112.2	F99 L102 Q148 I149 Y155 L156 I181	F99-A152 HydrophobicContact CD1-CB 4.34Å; F99-A152 HydrophobicContact CE1-CB 4.23Å; L102-A152 HydrophobicContact CD2-CB 3.93Å; Q148-A152 WeakPolarHBondContact O-CB 3.47Å; Q148-A152 PolarHBondContact O-N 2.92Å; I149-A152 PolarHBondContact O-N 3.2Å; A152-Y155 WeakPolarHBondContact O-CB 2.89Å; A152-Y155 PolarHBondContact O-N 2.82Å; A152-L156 WeakPolarHBondContact O-CB 3.32Å; A152-L156 WeakPolarHBondContact O-CG 3.46Å; A152-L156 PolarHBondContact O-N 2.98Å; A152-I181 HydrophobicContact CB-CD1 3.59Å
153	F	98.8	Very high	98.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-69.2	-39.8	174.6	-73.4	-11	0	0	0	112.6	I149 Y155 L156 H157 Y163 L166 D219 W220 L223	I149-F153 HydrophobicContact CG2-CD2 3.93Å; I149-F153 HydrophobicContact CG2-CE1 4.3Å; I149-F153 HydrophobicContact CG2-CE2 3.66Å; I149-F153 HydrophobicContact CG2-CG 4.35Å; I149-F153 HydrophobicContact CG2-CZ 3.89Å; I149-F153 WeakPolarHBondContact O-CB 3.35Å; I149-F153 PolarHBondContact O-N 3.32Å; F153-Y155 PolarHBondContact O-N 3.43Å; F153-L156 HydrophobicContact CD1-CD1 4.4Å; F153-L156 PolarHBondContact O-N 2.84Å; F153-H157 WeakPolarHBondContact O-CB 3.07Å; F153-H157 PolarHBondContact O-CD2 3.21Å; F153-H157 PolarHBondContact O-N 2.85Å; F153-Y163 HydrophobicContact CE1-CD1 4.1Å; F153-Y163 HydrophobicContact CE1-CG 4.27Å; F153-Y163 HydrophobicContact CZ-CD1 4.45Å; F153-L166 HydrophobicContact CE2-CD2 3.94Å; F153-L166 HydrophobicContact CZ-CB 4.07Å; F153-L166 HydrophobicContact CZ-CD1 4.08Å; F153-L166 HydrophobicContact CZ-CD2 3.79Å; F153-L166 HydrophobicContact CZ-CG 4.2Å; F153-D219 HydrophobicContact CD2-CB 3.93Å; F153-D219 HydrophobicContact CE1-CB 4.27Å; F153-D219 HydrophobicContact CE2-CB 3.65Å; F153-D219 VanDerWaalsContact CE2-O 3.24Å; F153-D219 WeakPolarHBondContact CE2-O 3.33Å; F153-D219 HydrophobicContact CG-CB 4.36Å; F153-D219 HydrophobicContact CZ-CB 3.81Å; F153-W220 HydrophobicContact CB-CH2 3.56Å; F153-W220 HydrophobicContact CB-CZ2 4.06Å; F153-W220 HydrophobicContact CB-CZ3 3.9Å; F153-W220 HydrophobicContact CD2-CE3 4.03Å; F153-W220 HydrophobicContact CD2-CH2 4.41Å; F153-W220 AromaticContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CG-CZ3 4.44Å; F153-L223 HydrophobicContact CE2-CB 4.26Å
154	E	98.5	Very high	98.2	Very high	31 Å²	31	7.5 Å²	7.5	15%	0.145	4%	0.039	C	C	.	.	H	α-helix	trans	-55.6	-44.1	172.6	-177.6	172.3	-149.6	0	0	111.1	L18 V150 L151 S158 V287 K291	L18-E154 HydrophobicContact CD1-CG 3.91Å; V150-E154 VanDerWaalsContact O-CB 3.32Å; V150-E154 WeakPolarHBondContact O-CB 3.49Å; V150-E154 PolarHBondContact O-N 3.13Å; L151-E154 PolarHBondContact O-N 2.82Å; E154-S158 WeakPolarHBondContact O-CB 3.06Å; E154-S158 PolarHBondContact O-N 2.84Å; E154-V287 HydrophobicContact CB-CG2 4.28Å; E154-V287 HydrophobicContact CG-CG1 4Å; E154-V287 WeakPolarHBondContact OE1-CG1 3.26Å; E154-K291 IonicContact OE1-NZ 2.87Å; E154-K291 PolarHBondContact OE1-NZ 2.51Å; E154-K291 IonicContact OE2-NZ 3.89Å; E154-K291 PolarHBondContact OE2-NZ 2.76Å
155	Y	98.7	Very high	98.3	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.038	C	C	.	.	H	α-helix	trans	-61.5	-60.2	172.7	171.5	-95.4	0	0	0	112	F17 L18 A21 I97 D98 F99 L102 L151 A152 F153 H157 S158 L159	F17-Y155 AromaticContact CE1-CD2 3.99Å; F17-Y155 HydrophobicContact CE1-CD2 3.99Å; F17-Y155 HydrophobicContact CZ-CD2 4.22Å; F17-Y155 HydrophobicContact CZ-CE2 4.48Å; L18-Y155 HydrophobicContact CD2-CD2 4.43Å; A21-Y155 HydrophobicContact CB-CD2 4.24Å; A21-Y155 HydrophobicContact CB-CE2 3.8Å; I97-Y155 WeakPolarHBondContact CA-OH 3.48Å; I97-Y155 HydrophobicContact CB-CE1 4.1Å; I97-Y155 HydrophobicContact CG2-CE1 4.16Å; D98-Y155 PolarHBondContact N-OH 2.64Å; D98-Y155 WeakPolarHBondContact O-CE2 3.01Å; D98-Y155 PolarHBondContact O-OH 2.99Å; F99-Y155 HydrophobicContact CB-CD1 3.82Å; F99-Y155 HydrophobicContact CB-CD2 4.29Å; F99-Y155 HydrophobicContact CB-CE1 3.84Å; F99-Y155 HydrophobicContact CB-CE2 4.25Å; F99-Y155 HydrophobicContact CB-CG 4.06Å; F99-Y155 HydrophobicContact CD1-CG 4.45Å; F99-Y155 HydrophobicContact CD2-CD1 4.19Å; F99-Y155 AromaticContact CD2-CD2 3.48Å; F99-Y155 HydrophobicContact CD2-CD2 3.48Å; F99-Y155 VanDerWaalsContact CD2-CD2 3.48Å; F99-Y155 HydrophobicContact CD2-CE2 4.04Å; F99-Y155 AromaticContact CD2-CG 3.55Å; F99-Y155 HydrophobicContact CD2-CG 3.55Å; F99-Y155 HydrophobicContact CE2-CD2 4.09Å; F99-Y155 HydrophobicContact CE2-CG 4.1Å; F99-Y155 AromaticContact CG-CD1 3.95Å; F99-Y155 HydrophobicContact CG-CD1 3.95Å; F99-Y155 HydrophobicContact CG-CD2 4.08Å; F99-Y155 HydrophobicContact CG-CE1 4.43Å; F99-Y155 AromaticContact CG-CG 3.77Å; F99-Y155 HydrophobicContact CG-CG 3.77Å; L102-Y155 HydrophobicContact CD1-CD1 3.78Å; L102-Y155 HydrophobicContact CD1-CE1 3.74Å; L151-Y155 WeakPolarHBondContact O-CB 3.31Å; L151-Y155 PolarHBondContact O-N 3.44Å; A152-Y155 WeakPolarHBondContact O-CB 2.89Å; A152-Y155 PolarHBondContact O-N 2.82Å; F153-Y155 PolarHBondContact O-N 3.43Å; Y155-H157 VanDerWaalsContact C-N 3.34Å; Y155-H157 PolarHBondContact O-N 2.9Å; Y155-S158 WeakPolarHBondContact O-CB 2.96Å; Y155-S158 PolarHBondContact O-N 3.2Å; Y155-S158 PolarHBondContact O-OG 3.12Å; Y155-L159 HydrophobicContact CD1-CD1 4.22Å; Y155-L159 HydrophobicContact CE1-CD1 3.55Å; Y155-L159 HydrophobicContact CE2-CD1 4.16Å; Y155-L159 PolarHBondContact O-N 3.26Å
156	L	98.7	Very high	98.4	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-58.5	-43.6	-176.2	-71.7	174.5	0	0	0	112.5	I97 L102 A152 F153 S158 L159 D160 L161 F184	I97-L156 HydrophobicContact CG2-CD2 4.19Å; L102-L156 HydrophobicContact CD1-CD2 3.82Å; L102-L156 HydrophobicContact CD1-CG 4.15Å; L102-L156 HydrophobicContact CD2-CD1 4.44Å; A152-L156 WeakPolarHBondContact O-CB 3.32Å; A152-L156 WeakPolarHBondContact O-CG 3.46Å; A152-L156 PolarHBondContact O-N 2.98Å; F153-L156 HydrophobicContact CD1-CD1 4.4Å; F153-L156 PolarHBondContact O-N 2.84Å; L156-S158 PolarHBondContact O-N 3.08Å; L156-L159 WeakPolarHBondContact O-CA 3.02Å; L156-L159 WeakPolarHBondContact O-CB 3.45Å; L156-L159 PolarHBondContact O-N 3.39Å; L156-D160 PolarHBondContact O-N 3.28Å; L156-L161 CarbonylContact C-O 3.51Å; L156-L161 HydrophobicContact CB-CB 4.17Å; L156-L161 HydrophobicContact CD2-CB 4.23Å; L156-L161 HydrophobicContact CD2-CD1 3.79Å; L156-L161 WeakPolarHBondContact O-CB 3.5Å; L156-L161 PolarHBondContact O-N 2.84Å; L156-F184 HydrophobicContact CD1-CE1 4.23Å; L156-F184 HydrophobicContact CD2-CE1 4.1Å
157	H	98.2	Very high	98.4	Very high	12 Å²	12	8.9 Å²	8.9	6%	0.056	5%	0.045	C	C	.	.	H	α-helix	trans	-68.8	-23.4	-179.5	-67.3	-175.3	0	0	0	112.5	F153 Y155 D160 L161 K216 D219 W220	F153-H157 WeakPolarHBondContact O-CB 3.07Å; F153-H157 PolarHBondContact O-CD2 3.21Å; F153-H157 PolarHBondContact O-N 2.85Å; Y155-H157 VanDerWaalsContact C-N 3.34Å; Y155-H157 PolarHBondContact O-N 2.9Å; H157-D160 PolarHBondContact O-N 3.31Å; H157-L161 PolarHBondContact CD2-O 3.16Å; H157-L161 VanDerWaalsContact CD2-O 3.25Å; H157-K216 HydrophobicContact CB-CD 3.81Å; H157-K216 PolarHBondContact CE1-O 2.81Å; H157-D219 IonicContact CD2-OD2 2.68Å; H157-D219 IonicContact CE1-OD2 3.4Å; H157-D219 IonicContact NE2-OD2 2.76Å; H157-D219 PolarHBondContact NE2-OD2 3.33Å; H157-W220 AromaticContact CE1-CE2 3.66Å; H157-W220 AromaticContact CE1-CZ2 3.87Å; H157-W220 AromaticContact CE1-NE1 3.53Å; H157-W220 AromaticContact ND1-CE2 3.65Å; H157-W220 AromaticContact ND1-CZ2 3.59Å; H157-W220 AromaticContact ND1-NE1 3.46Å; H157-W220 PolarHBondContact ND1-NE1 2.76Å
158	S	97.5	Very high	98.3	Very high	23 Å²	23	9 Å²	9	16%	0.161	5%	0.045	C	C	.	.	H	α-helix	trans	-69.8	-24.7	171.3	82.6	0	0	0	0	112.1	R22 E154 Y155 L156 D160	R22-S158 VanDerWaalsContact CD-O 3.26Å; R22-S158 WeakPolarHBondContact CD-O 3.49Å; E154-S158 WeakPolarHBondContact O-CB 3.06Å; E154-S158 PolarHBondContact O-N 2.84Å; Y155-S158 WeakPolarHBondContact O-CB 2.96Å; Y155-S158 PolarHBondContact O-N 3.2Å; Y155-S158 PolarHBondContact O-OG 3.12Å; L156-S158 PolarHBondContact O-N 3.08Å; S158-D160 VanDerWaalsContact C-N 3.33Å
159	L	98.1	Very high	98.1	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.021	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.8	179	-52.7	-179.6	0	0	0	113	R22 F25 I97 Y155 L156 L161 R189	R22-L159 HydrophobicContact CB-CD2 4.38Å; R22-L159 HydrophobicContact CG-CD2 3.7Å; F25-L159 HydrophobicContact CB-CD1 4.15Å; F25-L159 HydrophobicContact CB-CD2 3.7Å; F25-L159 HydrophobicContact CD1-CB 4.2Å; F25-L159 HydrophobicContact CD1-CD1 4.43Å; F25-L159 HydrophobicContact CD1-CD2 3.99Å; F25-L159 HydrophobicContact CD1-CG 4.43Å; F25-L159 HydrophobicContact CD2-CD1 3.6Å; F25-L159 HydrophobicContact CD2-CD2 4.46Å; F25-L159 HydrophobicContact CD2-CG 4.42Å; F25-L159 HydrophobicContact CE1-CB 4.19Å; F25-L159 HydrophobicContact CE2-CD1 4.07Å; F25-L159 HydrophobicContact CG-CB 4.39Å; F25-L159 HydrophobicContact CG-CD1 3.8Å; F25-L159 HydrophobicContact CG-CD2 3.8Å; F25-L159 HydrophobicContact CG-CG 4.2Å; F25-L159 HydrophobicContact CZ-CB 4.38Å; I97-L159 HydrophobicContact CG2-CD1 4.21Å; Y155-L159 HydrophobicContact CD1-CD1 4.22Å; Y155-L159 HydrophobicContact CE1-CD1 3.55Å; Y155-L159 HydrophobicContact CE2-CD1 4.16Å; Y155-L159 PolarHBondContact O-N 3.26Å; L156-L159 WeakPolarHBondContact O-CA 3.02Å; L156-L159 WeakPolarHBondContact O-CB 3.45Å; L156-L159 PolarHBondContact O-N 3.39Å; L159-L161 HydrophobicContact CB-CD1 4Å; L159-L161 HydrophobicContact CB-CG 4.07Å; L159-L161 HydrophobicContact CD1-CD1 4.07Å; L159-L161 PolarHBondContact O-N 3.36Å; L159-R189 PolarHBondContact O-NE 3.48Å
160	D	98	Very high	98	Very high	51 Å²	51	12.6 Å²	12.6	27%	0.273	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	22.1	-169.2	-53.1	-51.3	0	0	0	113.5	L156 H157 S158 R189 V190 K191	L156-D160 PolarHBondContact O-N 3.28Å; H157-D160 PolarHBondContact O-N 3.31Å; S158-D160 VanDerWaalsContact C-N 3.33Å; D160-R189 HydrophobicContact CB-CG 4.09Å; D160-R189 CarbonylContact O-C 3.48Å; D160-R189 VanDerWaalsContact O-CA 3.26Å; D160-R189 WeakPolarHBondContact O-CA 3.43Å; D160-V190 PolarHBondContact O-N 3.35Å; D160-K191 HydrophobicContact CB-CG 4.24Å; D160-K191 WeakPolarHBondContact OD2-CE 3.47Å
161	L	98.5	Very high	98	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.6	177.7	-64.4	170	0	0	0	110.6	F25 I93 I97 L156 H157 L159 K188 R189	F25-L161 HydrophobicContact CE2-CD1 3.94Å; F25-L161 HydrophobicContact CZ-CD1 4.12Å; F25-L161 HydrophobicContact CZ-CG 4.46Å; I93-L161 HydrophobicContact CD1-CD2 3.86Å; I93-L161 HydrophobicContact CG1-CD2 3.86Å; I93-L161 HydrophobicContact CG2-CD1 4.07Å; I93-L161 HydrophobicContact CG2-CD2 4.47Å; I97-L161 HydrophobicContact CG2-CD1 3.77Å; L156-L161 CarbonylContact C-O 3.51Å; L156-L161 HydrophobicContact CB-CB 4.17Å; L156-L161 HydrophobicContact CD2-CB 4.23Å; L156-L161 HydrophobicContact CD2-CD1 3.79Å; L156-L161 WeakPolarHBondContact O-CB 3.5Å; L156-L161 PolarHBondContact O-N 2.84Å; H157-L161 PolarHBondContact CD2-O 3.16Å; H157-L161 VanDerWaalsContact CD2-O 3.25Å; L159-L161 HydrophobicContact CB-CD1 4Å; L159-L161 HydrophobicContact CB-CG 4.07Å; L159-L161 HydrophobicContact CD1-CD1 4.07Å; L159-L161 PolarHBondContact O-N 3.36Å; L161-K188 WeakPolarHBondContact CA-O 3.3Å; L161-R189 HydrophobicContact CD2-CB 3.75Å; L161-R189 HydrophobicContact CD2-CG 4.13Å
162	I	98.4	Very high	97.8	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.015	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.4	168.8	-47.9	174.9	0	0	0	107.3	R164 A187 K188 V190 K216 V218 D219	I162-R164 HydrophobicContact CB-CG 4.06Å; I162-R164 HydrophobicContact CG2-CG 3.44Å; I162-R164 VanDerWaalsContact CG2-CG 3.44Å; I162-A187 CarbonylContact O-C 3.44Å; I162-A187 WeakPolarHBondContact O-CA 3.38Å; I162-K188 PolarHBondContact N-O 2.92Å; I162-K188 PolarHBondContact O-N 2.9Å; I162-V190 HydrophobicContact CD1-CB 3.97Å; I162-V190 HydrophobicContact CD1-CG1 4.47Å; I162-V190 HydrophobicContact CD1-CG2 4.31Å; I162-K216 HydrophobicContact CG1-CB 4.17Å; I162-V218 HydrophobicContact CG2-CG2 3.84Å; I162-D219 WeakPolarHBondContact CG2-OD2 3.28Å
163	Y	98.6	Very high	97.5	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	7%	0.068	C	C	.	.			trans	-83.3	-45.4	-173.7	-178.9	-114.1	0	0	0	113.3	F153 D165 L166 N170 I181 T182 D183 F184 F186 A187 D219	F153-Y163 HydrophobicContact CE1-CD1 4.1Å; F153-Y163 HydrophobicContact CE1-CG 4.27Å; F153-Y163 HydrophobicContact CZ-CD1 4.45Å; Y163-D165 VanDerWaalsContact C-N 3.26Å; Y163-D165 WeakPolarHBondContact CE1-O 3.34Å; Y163-D165 PolarHBondContact O-N 3.23Å; Y163-D165 VanDerWaalsContact O-N 3.14Å; Y163-L166 HydrophobicContact CD1-CB 4.17Å; Y163-L166 HydrophobicContact CE1-CB 4.24Å; Y163-N170 WeakPolarHBondContact OH-CB 3.48Å; Y163-I181 HydrophobicContact CD2-CG2 4.38Å; Y163-I181 HydrophobicContact CE1-CG2 3.98Å; Y163-I181 HydrophobicContact CE2-CG2 3.64Å; Y163-I181 VanDerWaalsContact CZ-CG2 3.42Å; Y163-I181 WeakPolarHBondContact OH-CG2 3.35Å; Y163-T182 PolarHBondContact OH-O 2.98Å; Y163-D183 VanDerWaalsContact CE2-O 3.25Å; Y163-D183 WeakPolarHBondContact CE2-O 3.36Å; Y163-D183 PolarHBondContact OH-O 2.99Å; Y163-F184 HydrophobicContact CD2-CD1 4.07Å; Y163-F184 HydrophobicContact CD2-CE1 4.02Å; Y163-F184 HydrophobicContact CE2-CD1 4.18Å; Y163-F184 HydrophobicContact CE2-CD2 4.39Å; Y163-F184 HydrophobicContact CE2-CE1 4.22Å; Y163-F184 HydrophobicContact CE2-CE2 4.43Å; Y163-F184 HydrophobicContact CE2-CG 4.28Å; Y163-F184 HydrophobicContact CE2-CZ 4.36Å; Y163-F186 CarbonylContact O-C 3.48Å; Y163-A187 HydrophobicContact CD2-CB 4.46Å; Y163-A187 PolarHBondContact O-N 2.85Å; Y163-D219 PolarHBondContact N-OD1 3.37Å; Y163-D219 PolarHBondContact N-OD2 3.28Å
164	R	98.3	Very high	97.1	Very high	16 Å²	16	14.3 Å²	14.3	6%	0.06	7%	0.072	C	C	.	.			trans	66.8	-1.8	170.2	-51.3	-170.1	-67.6	168.1	4.3	118.4	I162 F186 C198 Y214 V218 D219	I162-R164 HydrophobicContact CB-CG 4.06Å; I162-R164 HydrophobicContact CG2-CG 3.44Å; I162-R164 VanDerWaalsContact CG2-CG 3.44Å; R164-F186 HydrophobicContact CB-CB 4.31Å; R164-F186 PolarHBondContact NE-O 3.15Å; R164-F186 PolarHBondContact NH2-O 3.46Å; R164-C198 VanDerWaalsContact CZ-SG 3.58Å; R164-C198 PolarHBondContact NH1-SG 2.59Å; R164-Y214 WeakPolarHBondContact CD-OH 3.34Å; R164-Y214 HydrophobicContact CG-CE2 4.49Å; R164-Y214 PolarHBondContact NH1-OH 2.89Å; R164-V218 HydrophobicContact CG-CG2 4.47Å; R164-D219 PolarHBondContact N-OD1 2.6Å
165	D	97.6	Very high	96.5	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.032	9%	0.091	C	C	.	.			trans	-138	44.1	175.6	-152.6	32.5	0	0	0	113.6	Y163 K167 N170 F186 G199 T200	Y163-D165 VanDerWaalsContact C-N 3.26Å; Y163-D165 WeakPolarHBondContact CE1-O 3.34Å; Y163-D165 PolarHBondContact O-N 3.23Å; Y163-D165 VanDerWaalsContact O-N 3.14Å; D165-K167 PolarHBondContact O-N 3.4Å; D165-K167 IonicContact OD1-NZ 3.55Å; D165-K167 PolarHBondContact OD1-NZ 2.85Å; D165-K167 WeakPolarHBondContact OD2-CE 3.31Å; D165-K167 IonicContact OD2-NZ 2.86Å; D165-K167 PolarHBondContact OD2-NZ 3.03Å; D165-N170 PolarHBondContact O-ND2 3.13Å; D165-N170 PolarHBondContact OD2-ND2 3.17Å; D165-F186 HydrophobicContact CB-CB 4.46Å; D165-F186 HydrophobicContact CB-CD2 3.81Å; D165-G199 WeakPolarHBondContact OD1-CA 3.45Å; D165-T200 PolarHBondContact OD1-N 3.37Å; D165-T200 PolarHBondContact OD1-OG1 2.81Å
166	L	98.7	Very high	95.9	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.111	C	C	.	.			trans	-68.2	123	173.4	-174.1	73.7	0	0	0	109.9	I149 F153 Y163 L171 Y203 A222 L223 L226	I149-L166 HydrophobicContact CD1-CD1 4.21Å; I149-L166 HydrophobicContact CG2-CD1 4.01Å; I149-L166 HydrophobicContact CG2-CD2 4Å; F153-L166 HydrophobicContact CE2-CD2 3.94Å; F153-L166 HydrophobicContact CZ-CB 4.07Å; F153-L166 HydrophobicContact CZ-CD1 4.08Å; F153-L166 HydrophobicContact CZ-CD2 3.79Å; F153-L166 HydrophobicContact CZ-CG 4.2Å; Y163-L166 HydrophobicContact CD1-CB 4.17Å; Y163-L166 HydrophobicContact CE1-CB 4.24Å; L166-L171 HydrophobicContact CD1-CD1 4.33Å; L166-L171 HydrophobicContact CD1-CD2 4.07Å; L166-Y203 WeakPolarHBondContact O-CD1 3.31Å; L166-Y203 WeakPolarHBondContact O-CE1 3.48Å; L166-A222 HydrophobicContact CB-CB 3.97Å; L166-A222 HydrophobicContact CD2-CB 4.19Å; L166-L223 HydrophobicContact CD2-CB 4.42Å; L166-L226 HydrophobicContact CD1-CD2 4.12Å; L166-L226 HydrophobicContact CD2-CB 4.04Å; L166-L226 HydrophobicContact CD2-CD2 3.86Å; L166-L226 HydrophobicContact CG-CD2 4.1Å
167	K	97.7	Very high	95.4	Very high	32 Å²	32	19.8 Å²	19.8	14%	0.139	11%	0.111	C	C	.	.	S	Bend	trans	-164.3	159.9	173.5	60.9	-176.7	161.9	-158.7	0	109.8	D165 E169 N170 L171 T200 Y203	D165-K167 PolarHBondContact O-N 3.4Å; D165-K167 IonicContact OD1-NZ 3.55Å; D165-K167 PolarHBondContact OD1-NZ 2.85Å; D165-K167 WeakPolarHBondContact OD2-CE 3.31Å; D165-K167 IonicContact OD2-NZ 2.86Å; D165-K167 PolarHBondContact OD2-NZ 3.03Å; K167-E169 VanDerWaalsContact CB-OE2 3.27Å; K167-E169 WeakPolarHBondContact CB-OE2 3.48Å; K167-E169 HydrophobicContact CD-CB 4.19Å; K167-E169 WeakPolarHBondContact CD-OE2 3.33Å; K167-E169 HydrophobicContact CG-CB 4.17Å; K167-E169 VanDerWaalsContact CG-OE2 3.27Å; K167-E169 WeakPolarHBondContact CG-OE2 3.44Å; K167-E169 PolarHBondContact O-N 3.14Å; K167-E169 VanDerWaalsContact O-N 3.16Å; K167-N170 VanDerWaalsContact CE-CG 3.45Å; K167-N170 VanDerWaalsContact CE-ND2 3.25Å; K167-N170 WeakPolarHBondContact CE-ND2 3.46Å; K167-N170 WeakPolarHBondContact CE-OD1 3.48Å; K167-N170 HydrophobicContact CG-CB 4.18Å; K167-N170 PolarHBondContact O-N 3.27Å; K167-N170 VanDerWaalsContact O-N 3.07Å; K167-L171 WeakPolarHBondContact O-CG 3.35Å; K167-T200 HydrophobicContact CD-CG2 4.26Å; K167-T200 WeakPolarHBondContact CD-OG1 3.27Å; K167-T200 PolarHBondContact NZ-OG1 3.16Å; K167-Y203 HydrophobicContact CB-CD2 4.06Å; K167-Y203 HydrophobicContact CB-CE2 3.95Å; K167-Y203 HydrophobicContact CB-CG 4.49Å
168	P	96.9	Very high	95.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-58.9	-26.3	-177.3	-25	35.5	0	0	0	114.3	M127 F128 N170 L171 Y203 L226	M127-P168 HydrophobicContact CB-CB 4.44Å; M127-P168 HydrophobicContact CG-CB 4.27Å; F128-P168 HydrophobicContact CB-CB 3.86Å; F128-P168 HydrophobicContact CD2-CB 4.25Å; F128-P168 PolarHBondContact N-O 2.93Å; F128-P168 VanDerWaalsContact N-O 3.16Å; P168-N170 VanDerWaalsContact C-N 3.34Å; P168-L171 PolarHBondContact O-N 2.95Å; P168-Y203 VanDerWaalsContact CD-OH 3.28Å; P168-Y203 WeakPolarHBondContact CD-OH 3.38Å; P168-L226 HydrophobicContact CG-CD1 3.88Å
169	E	94.7	Very high	95.1	Very high	66 Å²	66	18.3 Å²	18.3	31%	0.308	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-68.5	-32.5	177.9	-60.4	87.4	157.8	0	0	111.8	F128 K167 L171	F128-E169 HydrophobicContact CB-CG 3.98Å; F128-E169 HydrophobicContact CD2-CG 3.95Å; F128-E169 WeakPolarHBondContact CD2-OE1 3.27Å; F128-E169 HydrophobicContact CG-CG 3.94Å; K167-E169 VanDerWaalsContact CB-OE2 3.27Å; K167-E169 WeakPolarHBondContact CB-OE2 3.48Å; K167-E169 HydrophobicContact CD-CB 4.19Å; K167-E169 WeakPolarHBondContact CD-OE2 3.33Å; K167-E169 HydrophobicContact CG-CB 4.17Å; K167-E169 VanDerWaalsContact CG-OE2 3.27Å; K167-E169 WeakPolarHBondContact CG-OE2 3.44Å; K167-E169 PolarHBondContact O-N 3.14Å; K167-E169 VanDerWaalsContact O-N 3.16Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.29Å
170	N	96.8	Very high	95.1	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.064	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-89.9	10.2	179.4	-70.5	-3.8	0	0	0	113.1	Y163 D165 K167 P168 T182	Y163-N170 WeakPolarHBondContact OH-CB 3.48Å; D165-N170 PolarHBondContact O-ND2 3.13Å; D165-N170 PolarHBondContact OD2-ND2 3.17Å; K167-N170 VanDerWaalsContact CE-CG 3.45Å; K167-N170 VanDerWaalsContact CE-ND2 3.25Å; K167-N170 WeakPolarHBondContact CE-ND2 3.46Å; K167-N170 WeakPolarHBondContact CE-OD1 3.48Å; K167-N170 HydrophobicContact CG-CB 4.18Å; K167-N170 PolarHBondContact O-N 3.27Å; K167-N170 VanDerWaalsContact O-N 3.07Å; P168-N170 VanDerWaalsContact C-N 3.34Å; N170-T182 WeakPolarHBondContact O-CG2 3.33Å; N170-T182 PolarHBondContact O-N 2.89Å
171	L	97.3	Very high	95.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.5	179.7	-60.4	180	0	0	0	109.4	M127 I149 L166 K167 P168 E169 L179 I181 L226	M127-L171 HydrophobicContact CB-CB 4Å; M127-L171 WeakPolarHBondContact CB-O 3.44Å; M127-L171 HydrophobicContact CE-CD1 4.21Å; M127-L171 PolarHBondContact N-O 2.88Å; M127-L171 HydrophobicContact SD-CD1 3.83Å; I149-L171 HydrophobicContact CD1-CD1 4.13Å; I149-L171 HydrophobicContact CD1-CD2 3.62Å; L166-L171 HydrophobicContact CD1-CD1 4.33Å; L166-L171 HydrophobicContact CD1-CD2 4.07Å; K167-L171 WeakPolarHBondContact O-CG 3.35Å; P168-L171 PolarHBondContact O-N 2.95Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.29Å; L171-L179 HydrophobicContact CB-CD2 4.45Å; L171-I181 HydrophobicContact CD2-CB 4.31Å; L171-I181 HydrophobicContact CD2-CD1 4.47Å; L171-I181 HydrophobicContact CD2-CG1 3.69Å; L171-I181 HydrophobicContact CD2-CG2 4.48Å; L171-L226 HydrophobicContact CD1-CD1 4.04Å; L171-L226 HydrophobicContact CD1-CD2 3.64Å; L171-L226 HydrophobicContact CD1-CG 4.5Å
172	L	95	Very high	95	Very high	23 Å²	23	17.8 Å²	17.8	12%	0.12	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.6	174.6	-56.5	176.9	0	0	0	110.2	I122 G125 E126 L179 K180 T182	I122-L172 HydrophobicContact CB-CB 4Å; I122-L172 HydrophobicContact CB-CD1 3.88Å; I122-L172 HydrophobicContact CG1-CD1 4.18Å; I122-L172 HydrophobicContact CG2-CB 3.62Å; I122-L172 HydrophobicContact CG2-CD1 4.45Å; G125-L172 CarbonylContact O-C 3.29Å; G125-L172 WeakPolarHBondContact O-CA 3.44Å; E126-L172 HydrophobicContact CG-CD2 3.84Å; L172-L179 CarbonylContact O-C 3.59Å; L172-L179 VanDerWaalsContact O-CA 3.27Å; L172-L179 WeakPolarHBondContact O-CA 3.29Å; L172-K180 HydrophobicContact CB-CB 4.36Å; L172-K180 PolarHBondContact N-O 3.01Å; L172-K180 PolarHBondContact O-N 3.2Å; L172-T182 HydrophobicContact CD1-CG2 4.1Å; L172-T182 HydrophobicContact CG-CG2 4.02Å
173	I	92.8	Very high	94.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.8	173.4	-61.3	178.7	0	0	0	108.4	I122 G124 G125 M127 H130 Y178 L179 P329	I122-I173 WeakPolarHBondContact CG2-O 3.24Å; G124-I173 CarbonylContact C-O 3.49Å; G124-I173 WeakPolarHBondContact CA-O 3.43Å; G124-I173 PolarHBondContact N-O 2.86Å; G125-I173 PolarHBondContact O-N 2.66Å; M127-I173 HydrophobicContact CB-CD1 4.49Å; H130-I173 HydrophobicContact CB-CD1 4.5Å; I173-Y178 CarbonylContact C-O 3.48Å; I173-Y178 WeakPolarHBondContact CA-O 3.49Å; I173-L179 HydrophobicContact CG1-CD2 3.89Å; I173-P329 HydrophobicContact CG2-CG 4.06Å
174	D	90.3	Very high	94.7	Very high	14 Å²	14	20.3 Å²	20.3	8%	0.075	11%	0.113	C	C	.	.			trans	-80.3	171.8	175.6	74.7	22.4	0	0	0	112.2	I122 T176 G177 Y178 K307	I122-D174 HydrophobicContact CG2-CB 4.05Å; D174-T176 PolarHBondContact O-N 2.71Å; D174-T176 VanDerWaalsContact OD1-CA 3.3Å; D174-T176 WeakPolarHBondContact OD1-CA 3.35Å; D174-T176 WeakPolarHBondContact OD1-CB 3.27Å; D174-T176 PolarHBondContact OD1-N 2.89Å; D174-T176 PolarHBondContact OD1-OG1 2.75Å; D174-T176 PolarHBondContact OD2-OG1 3.48Å; D174-G177 PolarHBondContact O-N 2.81Å; D174-G177 PolarHBondContact OD1-N 2.93Å; D174-G177 VanDerWaalsContact OD1-N 3.13Å; D174-Y178 PolarHBondContact N-O 3.41Å; D174-Y178 PolarHBondContact OD1-N 3.43Å; D174-K307 IonicContact OD2-NZ 3.83Å; D174-K307 PolarHBondContact OD2-NZ 3.06Å
175	S	84.8	Confident	94.5	Very high	80 Å²	80	20 Å²	20	56%	0.559	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.1	-179.6	60.8	0	0	0	0	114.2
176	T	86.3	Confident	94.4	Very high	69 Å²	69	22.8 Å²	22.8	42%	0.423	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.8	175.7	71.4	0	0	0	0	112.7	D174 Y178	D174-T176 PolarHBondContact O-N 2.71Å; D174-T176 VanDerWaalsContact OD1-CA 3.3Å; D174-T176 WeakPolarHBondContact OD1-CA 3.35Å; D174-T176 WeakPolarHBondContact OD1-CB 3.27Å; D174-T176 PolarHBondContact OD1-N 2.89Å; D174-T176 PolarHBondContact OD1-OG1 2.75Å; D174-T176 PolarHBondContact OD2-OG1 3.48Å; T176-Y178 WeakPolarHBondContact OG1-CD2 3.46Å
177	G	89.2	Confident	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	84.9	6.8	-178.2	0	0	0	0	0	114.1	F144 Y145 D174 L327	F144-G177 WeakPolarHBondContact CE1-O 3.41Å; Y145-G177 WeakPolarHBondContact CE1-O 3.5Å; D174-G177 PolarHBondContact O-N 2.81Å; D174-G177 PolarHBondContact OD1-N 2.93Å; D174-G177 VanDerWaalsContact OD1-N 3.13Å; G177-L327 WeakPolarHBondContact CA-O 3.18Å
178	Y	93.8	Very high	94.3	Very high	4 Å²	4	24 Å²	24	2%	0.016	13%	0.133	C	C	.	.			trans	-90.2	157	178.1	-81.6	-99	0	0	0	111.7	F101 F144 Q148 I173 D174 T176 K307 I309	F101-Y178 HydrophobicContact CD1-CD1 4.25Å; F101-Y178 AromaticContact CE1-CD1 3.57Å; F101-Y178 HydrophobicContact CE1-CD1 3.57Å; F101-Y178 HydrophobicContact CE1-CE1 4.08Å; F101-Y178 HydrophobicContact CZ-CD1 4.36Å; F101-Y178 HydrophobicContact CZ-CE1 4.48Å; F144-Y178 AromaticContact CE2-CE1 3.9Å; F144-Y178 HydrophobicContact CE2-CE1 3.9Å; F144-Y178 HydrophobicContact CE2-CE2 4.37Å; F144-Y178 AromaticContact CE2-CZ 3.78Å; F144-Y178 AromaticContact CZ-CD1 3.96Å; F144-Y178 HydrophobicContact CZ-CD1 3.96Å; F144-Y178 HydrophobicContact CZ-CD2 4.14Å; F144-Y178 AromaticContact CZ-CE1 3.72Å; F144-Y178 HydrophobicContact CZ-CE1 3.72Å; F144-Y178 AromaticContact CZ-CE2 3.89Å; F144-Y178 HydrophobicContact CZ-CE2 3.89Å; F144-Y178 HydrophobicContact CZ-CG 4.17Å; F144-Y178 AromaticContact CZ-CZ 3.67Å; Q148-Y178 HydrophobicContact CG-CD1 4.27Å; Q148-Y178 VanDerWaalsContact OE1-CD1 3.27Å; I173-Y178 CarbonylContact C-O 3.48Å; I173-Y178 WeakPolarHBondContact CA-O 3.49Å; D174-Y178 PolarHBondContact N-O 3.41Å; D174-Y178 PolarHBondContact OD1-N 3.43Å; T176-Y178 WeakPolarHBondContact OG1-CD2 3.46Å; Y178-K307 HydrophobicContact CD1-CB 4.47Å; Y178-K307 HydrophobicContact CD1-CD 4.24Å; Y178-K307 HydrophobicContact CD1-CG 3.84Å; Y178-K307 HydrophobicContact CD2-CB 4.29Å; Y178-K307 HydrophobicContact CD2-CD 4.2Å; Y178-K307 HydrophobicContact CD2-CG 4.25Å; Y178-K307 HydrophobicContact CE1-CB 4.09Å; Y178-K307 HydrophobicContact CE1-CG 3.85Å; Y178-K307 HydrophobicContact CE2-CB 3.92Å; Y178-K307 HydrophobicContact CE2-CG 4.27Å; Y178-K307 HydrophobicContact CG-CD 3.98Å; Y178-K307 HydrophobicContact CG-CG 4.03Å; Y178-K307 VanDerWaalsContact CZ-CA 3.44Å; Y178-K307 VanDerWaalsContact OH-C 3.29Å; Y178-K307 VanDerWaalsContact OH-CA 3.32Å; Y178-K307 WeakPolarHBondContact OH-CA 3.38Å; Y178-I309 WeakPolarHBondContact CE2-O 3.49Å; Y178-I309 PolarHBondContact OH-N 3.46Å; Y178-I309 VanDerWaalsContact OH-N 3.16Å; Y178-I309 PolarHBondContact OH-O 3.35Å
179	L	95.7	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	149.9	-179.9	-60.7	176.3	0	0	0	112.6	F101 M127 Y145 Q148 I149 L171 L172 I173	F101-L179 VanDerWaalsContact CA-O 3.32Å; F101-L179 WeakPolarHBondContact CA-O 3.41Å; M127-L179 HydrophobicContact CE-CD1 3.91Å; M127-L179 HydrophobicContact CE-CD2 3.38Å; M127-L179 HydrophobicContact CE-CG 4.27Å; Y145-L179 HydrophobicContact CD1-CD1 3.71Å; Y145-L179 HydrophobicContact CD1-CD2 3.66Å; Y145-L179 HydrophobicContact CD1-CG 3.56Å; Y145-L179 HydrophobicContact CE1-CD2 3.86Å; Y145-L179 HydrophobicContact CE1-CG 4.1Å; Y145-L179 HydrophobicContact CG-CD1 4.16Å; Y145-L179 HydrophobicContact CG-CD2 4.47Å; Y145-L179 HydrophobicContact CG-CG 4.46Å; Q148-L179 HydrophobicContact CB-CD1 4.33Å; I149-L179 HydrophobicContact CD1-CD1 3.87Å; I149-L179 HydrophobicContact CG1-CD1 4.19Å; L171-L179 HydrophobicContact CB-CD2 4.45Å; L172-L179 CarbonylContact O-C 3.59Å; L172-L179 VanDerWaalsContact O-CA 3.27Å; L172-L179 WeakPolarHBondContact O-CA 3.29Å; I173-L179 HydrophobicContact CG1-CD2 3.89Å
180	K	97.6	Very high	94.3	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	110	164.3	-73	-76.4	-170.2	167.8	0	108.2	P100 F101 L102 E120 I122 L172 T182	P100-K180 WeakPolarHBondContact O-CE 3.39Å; P100-K180 PolarHBondContact O-NZ 3.4Å; F101-K180 CarbonylContact O-C 3.6Å; F101-K180 WeakPolarHBondContact O-CA 3.41Å; L102-K180 VanDerWaalsContact O-CD 3.25Å; L102-K180 WeakPolarHBondContact O-CD 3.49Å; L102-K180 PolarHBondContact O-NZ 2.91Å; E120-K180 VanDerWaalsContact CD-NZ 3.33Å; E120-K180 VanDerWaalsContact OE1-CE 3.32Å; E120-K180 WeakPolarHBondContact OE1-CE 3.19Å; E120-K180 IonicContact OE1-NZ 2.68Å; E120-K180 PolarHBondContact OE1-NZ 3.21Å; E120-K180 WeakPolarHBondContact OE2-CE 3.49Å; E120-K180 IonicContact OE2-NZ 3.68Å; E120-K180 PolarHBondContact OE2-NZ 3.16Å; I122-K180 HydrophobicContact CD1-CB 4.3Å; I122-K180 HydrophobicContact CD1-CD 4.29Å; I122-K180 HydrophobicContact CD1-CG 3.69Å; I122-K180 HydrophobicContact CG1-CB 3.96Å; I122-K180 HydrophobicContact CG1-CG 3.93Å; I122-K180 HydrophobicContact CG2-CB 4.45Å; I122-K180 HydrophobicContact CG2-CG 4.48Å; L172-K180 HydrophobicContact CB-CB 4.36Å; L172-K180 PolarHBondContact N-O 3.01Å; L172-K180 PolarHBondContact O-N 3.2Å; K180-T182 PolarHBondContact O-N 3.43Å
181	I	98.5	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.1	170.4	-54.2	-175.4	0	0	0	107.5	F101 L102 V103 I149 A152 Y163 L171 F184	F101-I181 PolarHBondContact O-N 3.33Å; L102-I181 HydrophobicContact CD2-CB 3.73Å; L102-I181 HydrophobicContact CD2-CD1 3.74Å; L102-I181 HydrophobicContact CD2-CG1 3.96Å; L102-I181 HydrophobicContact CD2-CG2 4.44Å; V103-I181 WeakPolarHBondContact CB-O 3.37Å; V103-I181 WeakPolarHBondContact CG1-O 3.21Å; V103-I181 PolarHBondContact N-O 3.3Å; I149-I181 HydrophobicContact CD1-CD1 3.79Å; I149-I181 HydrophobicContact CD1-CG1 3.99Å; A152-I181 HydrophobicContact CB-CD1 3.59Å; Y163-I181 HydrophobicContact CD2-CG2 4.38Å; Y163-I181 HydrophobicContact CE1-CG2 3.98Å; Y163-I181 HydrophobicContact CE2-CG2 3.64Å; Y163-I181 VanDerWaalsContact CZ-CG2 3.42Å; Y163-I181 WeakPolarHBondContact OH-CG2 3.35Å; L171-I181 HydrophobicContact CD2-CB 4.31Å; L171-I181 HydrophobicContact CD2-CD1 4.47Å; L171-I181 HydrophobicContact CD2-CG1 3.69Å; L171-I181 HydrophobicContact CD2-CG2 4.48Å; I181-F184 HydrophobicContact CG2-CE2 4.45Å; I181-F184 HydrophobicContact CG2-CZ 4.44Å
182	T	96.3	Very high	93.8	Very high	34 Å²	34	35.9 Å²	35.9	21%	0.209	20%	0.196	C	C	.	.			trans	-116.1	-176.7	175.6	-169.3	0	0	0	0	110.4	Y163 N170 L172 K180	Y163-T182 PolarHBondContact OH-O 2.98Å; N170-T182 WeakPolarHBondContact O-CG2 3.33Å; N170-T182 PolarHBondContact O-N 2.89Å; L172-T182 HydrophobicContact CD1-CG2 4.1Å; L172-T182 HydrophobicContact CG-CG2 4.02Å; K180-T182 PolarHBondContact O-N 3.43Å
183	D	93.6	Very high	93.9	Very high	57 Å²	57	42.5 Å²	42.5	31%	0.305	22%	0.219	S	C	.	.			trans	52.5	93.2	177.4	-161.2	-9	0	0	0	115	Y163 G185	Y163-D183 VanDerWaalsContact CE2-O 3.25Å; Y163-D183 WeakPolarHBondContact CE2-O 3.36Å; Y163-D183 PolarHBondContact OH-O 2.99Å; D183-G185 PolarHBondContact OD1-N 3.49Å; D183-G185 VanDerWaalsContact OD1-N 3.12Å
184	F	96.6	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.			trans	-102.5	18.3	178.8	-75.8	-105	0	0	0	111.8	E90 I93 L94 I97 L102 V103 L156 Y163 I181 F186 A187	E90-F184 HydrophobicContact CG-CB 4.05Å; E90-F184 PolarHBondContact OE1-N 3.15Å; I93-F184 HydrophobicContact CG2-CD1 3.72Å; I93-F184 HydrophobicContact CG2-CE1 4.28Å; I93-F184 HydrophobicContact CG2-CG 4.39Å; L94-F184 HydrophobicContact CD2-CD2 3.61Å; L94-F184 HydrophobicContact CD2-CE2 4.04Å; L94-F184 HydrophobicContact CD2-CG 4.18Å; L94-F184 HydrophobicContact CG-CB 4.35Å; L94-F184 HydrophobicContact CG-CD2 4.35Å; I97-F184 HydrophobicContact CD1-CD1 4.38Å; I97-F184 HydrophobicContact CD1-CE1 3.73Å; I97-F184 HydrophobicContact CD1-CE2 4.08Å; I97-F184 HydrophobicContact CD1-CZ 3.53Å; L102-F184 HydrophobicContact CB-CZ 4.36Å; L102-F184 HydrophobicContact CD1-CZ 4.27Å; L102-F184 HydrophobicContact CD2-CZ 4.05Å; L102-F184 HydrophobicContact CG-CZ 4.44Å; V103-F184 HydrophobicContact CG1-CE2 4.39Å; L156-F184 HydrophobicContact CD1-CE1 4.23Å; L156-F184 HydrophobicContact CD2-CE1 4.1Å; Y163-F184 HydrophobicContact CD2-CD1 4.07Å; Y163-F184 HydrophobicContact CD2-CE1 4.02Å; Y163-F184 HydrophobicContact CE2-CD1 4.18Å; Y163-F184 HydrophobicContact CE2-CD2 4.39Å; Y163-F184 HydrophobicContact CE2-CE1 4.22Å; Y163-F184 HydrophobicContact CE2-CE2 4.43Å; Y163-F184 HydrophobicContact CE2-CG 4.28Å; Y163-F184 HydrophobicContact CE2-CZ 4.36Å; I181-F184 HydrophobicContact CG2-CE2 4.45Å; I181-F184 HydrophobicContact CG2-CZ 4.44Å; F184-F186 PolarHBondContact O-N 2.95Å; F184-A187 HydrophobicContact CB-CB 3.99Å; F184-A187 HydrophobicContact CD1-CB 3.66Å; F184-A187 HydrophobicContact CG-CB 4.27Å; F184-A187 WeakPolarHBondContact O-CB 3.3Å; F184-A187 PolarHBondContact O-N 2.96Å
185	G	94	Very high	94.4	Very high	11 Å²	11	50.4 Å²	50.4	11%	0.113	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.9	-178.1	0	0	0	0	0	114	D183	D183-G185 PolarHBondContact OD1-N 3.49Å; D183-G185 VanDerWaalsContact OD1-N 3.12Å
186	F	95.4	Very high	94.8	Very high	63 Å²	63	49.1 Å²	49.1	28%	0.276	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-1	174.4	-59.8	-30.6	0	0	0	114	Y163 R164 D165 F184 C198	Y163-F186 CarbonylContact O-C 3.48Å; R164-F186 HydrophobicContact CB-CB 4.31Å; R164-F186 PolarHBondContact NE-O 3.15Å; R164-F186 PolarHBondContact NH2-O 3.46Å; D165-F186 HydrophobicContact CB-CB 4.46Å; D165-F186 HydrophobicContact CB-CD2 3.81Å; F184-F186 PolarHBondContact O-N 2.95Å; F186-C198 HydrophobicContact CD1-CB 4.18Å; F186-C198 HydrophobicContact CD2-CB 4.26Å; F186-C198 HydrophobicContact CE1-CB 4.42Å; F186-C198 HydrophobicContact CG-CB 4.13Å
187	A	97.6	Very high	95.2	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	25%	0.246	C	C	.	.			trans	-64.5	146.6	177.3	0	0	0	0	0	110.3	N89 I93 I162 Y163 F184	N89-A187 PolarHBondContact ND2-O 2.94Å; I93-A187 HydrophobicContact CD1-CB 3.61Å; I162-A187 CarbonylContact O-C 3.44Å; I162-A187 WeakPolarHBondContact O-CA 3.38Å; Y163-A187 HydrophobicContact CD2-CB 4.46Å; Y163-A187 PolarHBondContact O-N 2.85Å; F184-A187 HydrophobicContact CB-CB 3.99Å; F184-A187 HydrophobicContact CD1-CB 3.66Å; F184-A187 HydrophobicContact CG-CB 4.27Å; F184-A187 WeakPolarHBondContact O-CB 3.3Å; F184-A187 PolarHBondContact O-N 2.96Å
188	K	96.4	Very high	95.5	Very high	56 Å²	56	52 Å²	52	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139	179.1	-168.5	171.8	-178.3	146.3	0	111.8	E85 L161 I162 V190	E85-K188 IonicContact OE1-NZ 3.99Å; L161-K188 WeakPolarHBondContact CA-O 3.3Å; I162-K188 PolarHBondContact N-O 2.92Å; I162-K188 PolarHBondContact O-N 2.9Å; K188-V190 HydrophobicContact CB-CG2 4.03Å; K188-V190 HydrophobicContact CD-CG2 3.87Å; K188-V190 HydrophobicContact CG-CG2 3.62Å; K188-V190 PolarHBondContact O-N 2.71Å
189	R	96.8	Very high	95.5	Very high	81 Å²	81	52.9 Å²	52.9	31%	0.306	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.9	171.7	-161.1	175.5	179.1	-164.5	-3.5	110.6	W29 L159 D160 L161	W29-R189 HydrophobicContact CH2-CB 4.36Å; W29-R189 HydrophobicContact CZ2-CB 4.41Å; W29-R189 VanDerWaalsContact NE1-NH1 3.13Å; L159-R189 PolarHBondContact O-NE 3.48Å; D160-R189 HydrophobicContact CB-CG 4.09Å; D160-R189 CarbonylContact O-C 3.48Å; D160-R189 VanDerWaalsContact O-CA 3.26Å; D160-R189 WeakPolarHBondContact O-CA 3.43Å; L161-R189 HydrophobicContact CD2-CB 3.75Å; L161-R189 HydrophobicContact CD2-CG 4.13Å
190	V	94.5	Very high	95.5	Very high	22 Å²	22	54.2 Å²	54.2	13%	0.133	27%	0.269	C	S	.	.			trans	-142.9	116.5	-174.3	-174.7	0	0	0	0	110.2	D160 I162 K188 T194	D160-V190 PolarHBondContact O-N 3.35Å; I162-V190 HydrophobicContact CD1-CB 3.97Å; I162-V190 HydrophobicContact CD1-CG1 4.47Å; I162-V190 HydrophobicContact CD1-CG2 4.31Å; K188-V190 HydrophobicContact CB-CG2 4.03Å; K188-V190 HydrophobicContact CD-CG2 3.87Å; K188-V190 HydrophobicContact CG-CG2 3.62Å; K188-V190 PolarHBondContact O-N 2.71Å; V190-T194 HydrophobicContact CG2-CG2 4.47Å
191	K	90.6	Very high	95.5	Very high	179 Å²	179	55.2 Å²	55.2	78%	0.778	28%	0.277	S	S	*	.	S	Bend	trans	-77.4	-30	172.2	-69.4	-174	176	-178.6	0	113.5	D160	D160-K191 HydrophobicContact CB-CG 4.24Å; D160-K191 WeakPolarHBondContact OD2-CE 3.47Å
192	G	94.1	Very high	95.5	Very high	47 Å²	47	57.9 Å²	57.9	49%	0.485	29%	0.29	S	S	.	.	S	Bend	trans	-112.9	-115.5	-174.3	0	0	0	0	0	112.5
193	R	96	Very high	95.6	Very high	163 Å²	163	57 Å²	57	62%	0.615	28%	0.283	S	S	*	.			trans	-116.6	156.7	179.3	-68.3	-179.7	177.6	-175.4	0.9	111.7	W195 G213 Y214	R193-W195 HydrophobicContact CB-CH2 3.86Å; R193-W195 HydrophobicContact CB-CZ2 4.27Å; R193-W195 HydrophobicContact CB-CZ3 4.16Å; R193-W195 VanDerWaalsContact O-CZ3 3.31Å; R193-W195 WeakPolarHBondContact O-CZ3 3.44Å; R193-G213 WeakPolarHBondContact CD-O 3.15Å; R193-Y214 CarbonylContact C-O 3.56Å; R193-Y214 WeakPolarHBondContact CA-O 3.47Å
194	T	96.6	Very high	95.8	Very high	10 Å²	10	54.6 Å²	54.6	6%	0.061	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-134	168.5	168.5	-164.1	0	0	0	0	110.2	V190 G213 Y214	V190-T194 HydrophobicContact CG2-CG2 4.47Å; T194-G213 CarbonylContact O-C 3.57Å; T194-G213 WeakPolarHBondContact O-CA 3.37Å; T194-Y214 HydrophobicContact CG2-CD2 3.9Å; T194-Y214 HydrophobicContact CG2-CE1 4.03Å; T194-Y214 HydrophobicContact CG2-CE2 3.29Å; T194-Y214 HydrophobicContact CG2-CG 4.49Å; T194-Y214 PolarHBondContact N-O 3.34Å; T194-Y214 VanDerWaalsContact O-CD1 3.28Å; T194-Y214 WeakPolarHBondContact O-CD1 3.41Å; T194-Y214 PolarHBondContact O-N 3.19Å
195	W	97.1	Very high	95.9	Very high	170 Å²	170	54.6 Å²	54.6	64%	0.644	27%	0.27	S	S	*	.			trans	-131.7	-7.2	-169.8	-72.1	-99.6	0	0	0	114.3	R193 L197	R193-W195 HydrophobicContact CB-CH2 3.86Å; R193-W195 HydrophobicContact CB-CZ2 4.27Å; R193-W195 HydrophobicContact CB-CZ3 4.16Å; R193-W195 VanDerWaalsContact O-CZ3 3.31Å; R193-W195 WeakPolarHBondContact O-CZ3 3.44Å; W195-L197 PolarHBondContact O-N 2.85Å
196	T	94.4	Very high	96.1	Very high	53 Å²	53	54.2 Å²	54.2	33%	0.325	27%	0.265	S	S	.	.			trans	-62.2	122.7	-176.3	-48.9	0	0	0	0	110.6	C198 Y214	T196-C198 HydrophobicContact CG2-CB 4.33Å; T196-C198 PolarHBondContact O-N 3.06Å; T196-Y214 WeakPolarHBondContact O-CE1 3.32Å; T196-Y214 PolarHBondContact O-OH 3.44Å
197	L	95.1	Very high	96.2	Very high	114 Å²	114	51.6 Å²	51.6	60%	0.597	25%	0.254	S	S	*	.			trans	-72.2	107.1	168.7	-172	88.9	0	0	0	108.3	W195 I208	W195-L197 PolarHBondContact O-N 2.85Å; L197-I208 HydrophobicContact CD1-CG2 3.87Å
198	C	94.6	Very high	96.3	Very high	15 Å²	15	51.9 Å²	51.9	10%	0.101	26%	0.255	C	S	.	.			trans	-155	161.9	179.4	58.5	0	0	0	0	110	R164 F186 T196 L204	R164-C198 VanDerWaalsContact CZ-SG 3.58Å; R164-C198 PolarHBondContact NH1-SG 2.59Å; F186-C198 HydrophobicContact CD1-CB 4.18Å; F186-C198 HydrophobicContact CD2-CB 4.26Å; F186-C198 HydrophobicContact CE1-CB 4.42Å; F186-C198 HydrophobicContact CG-CB 4.13Å; T196-C198 HydrophobicContact CG2-CB 4.33Å; T196-C198 PolarHBondContact O-N 3.06Å; C198-L204 WeakPolarHBondContact O-CD2 3.33Å
199	G	94.7	Very high	96.3	Very high	23 Å²	23	50.8 Å²	50.8	24%	0.237	25%	0.252	C	S	.	.	S	Bend	trans	110	-177.7	-174.3	0	0	0	0	0	112.4	D165	D165-G199 WeakPolarHBondContact OD1-CA 3.45Å
200	T	95.6	Very high	96.3	Very high	27 Å²	27	50.6 Å²	50.6	17%	0.166	26%	0.257	C	S	.	.			trans	-98	134.8	-175.5	-56.8	0	0	0	0	110.6	D165 K167 E202 Y203 L204	D165-T200 PolarHBondContact OD1-N 3.37Å; D165-T200 PolarHBondContact OD1-OG1 2.81Å; K167-T200 HydrophobicContact CD-CG2 4.26Å; K167-T200 WeakPolarHBondContact CD-OG1 3.27Å; K167-T200 PolarHBondContact NZ-OG1 3.16Å; T200-E202 VanDerWaalsContact C-N 3.34Å; T200-E202 PolarHBondContact O-N 3.29Å; T200-E202 VanDerWaalsContact O-N 3.13Å; T200-Y203 PolarHBondContact O-N 2.58Å; T200-L204 PolarHBondContact O-N 3.23Å
201	P	97.5	Very high	96.3	Very high	33 Å²	33	54 Å²	54	21%	0.214	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-48.8	-44.9	-167.2	-32.2	37.2	0	0	0	116	Y203 L204 P242 I245 Y246 I249	P201-Y203 PolarHBondContact O-N 2.74Å; P201-L204 PolarHBondContact O-N 3.48Å; P201-P242 HydrophobicContact CB-CB 4.48Å; P201-P242 HydrophobicContact CG-CB 4.46Å; P201-I245 HydrophobicContact CB-CD1 4.24Å; P201-Y246 HydrophobicContact CB-CE1 3.9Å; P201-I249 WeakPolarHBondContact O-CD1 3.38Å
202	E	97.9	Very high	96.6	Very high	56 Å²	56	51.5 Å²	51.5	26%	0.262	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-66.5	-24.2	-178.3	-65.6	82.8	173.1	0	0	113.1	T200 V225 P235 I245	T200-E202 VanDerWaalsContact C-N 3.34Å; T200-E202 PolarHBondContact O-N 3.29Å; T200-E202 VanDerWaalsContact O-N 3.13Å; E202-V225 WeakPolarHBondContact O-CG1 3.25Å; E202-P235 HydrophobicContact CB-CB 4.29Å; E202-P235 HydrophobicContact CB-CG 4.49Å; E202-P235 HydrophobicContact CG-CB 4.46Å; E202-P235 HydrophobicContact CG-CG 4.13Å; E202-I245 HydrophobicContact CG-CD1 4.23Å
203	Y	98.6	Very high	96.7	Very high	14 Å²	14	49.7 Å²	49.7	6%	0.055	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-102.3	-8.5	-174.4	-77.6	-93.6	0	0	0	113.5	L166 K167 P168 T200 P201 A205 A222 V225 L226 E229	L166-Y203 WeakPolarHBondContact O-CD1 3.31Å; L166-Y203 WeakPolarHBondContact O-CE1 3.48Å; K167-Y203 HydrophobicContact CB-CD2 4.06Å; K167-Y203 HydrophobicContact CB-CE2 3.95Å; K167-Y203 HydrophobicContact CB-CG 4.49Å; P168-Y203 VanDerWaalsContact CD-OH 3.28Å; P168-Y203 WeakPolarHBondContact CD-OH 3.38Å; T200-Y203 PolarHBondContact O-N 2.58Å; P201-Y203 PolarHBondContact O-N 2.74Å; Y203-A205 PolarHBondContact O-N 2.81Å; Y203-A222 HydrophobicContact CD1-CB 4.17Å; Y203-V225 HydrophobicContact CD1-CB 3.68Å; Y203-V225 HydrophobicContact CD1-CG1 3.56Å; Y203-V225 HydrophobicContact CD2-CG1 4.09Å; Y203-V225 HydrophobicContact CE1-CB 3.72Å; Y203-V225 HydrophobicContact CE1-CG1 3.46Å; Y203-V225 VanDerWaalsContact CE1-CG1 3.46Å; Y203-V225 HydrophobicContact CE2-CG1 3.96Å; Y203-V225 HydrophobicContact CG-CB 4.37Å; Y203-V225 HydrophobicContact CG-CG1 3.89Å; Y203-L226 HydrophobicContact CE1-CB 4.02Å; Y203-E229 PolarHBondContact OH-OE2 3.22Å
204	L	98.4	Very high	96.7	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.224	C	C	.	.			trans	-63.1	134	179.9	-67.2	-175.4	0	0	0	111.6	C198 T200 P201 I208 I209 W221 Y246	C198-L204 WeakPolarHBondContact O-CD2 3.33Å; T200-L204 PolarHBondContact O-N 3.23Å; P201-L204 PolarHBondContact O-N 3.48Å; L204-I208 HydrophobicContact CD2-CD1 4.32Å; L204-I208 HydrophobicContact CD2-CG2 4.16Å; L204-I209 HydrophobicContact CB-CD1 4.05Å; L204-I209 HydrophobicContact CB-CG1 3.96Å; L204-I209 HydrophobicContact CD1-CG1 4.18Å; L204-W221 PolarHBondContact O-NE1 2.76Å; L204-W221 VanDerWaalsContact O-NE1 3.11Å; L204-Y246 HydrophobicContact CD1-CE1 3.82Å
205	A	98.4	Very high	96.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	23%	0.231	C	C	.	.			trans	-75.2	150.3	171.8	0	0	0	0	0	111	Y203 E207 I208 I209 V218 W221	Y203-A205 PolarHBondContact O-N 2.81Å; A205-E207 HydrophobicContact CB-CG 4.4Å; A205-E207 PolarHBondContact O-N 2.78Å; A205-E207 VanDerWaalsContact O-N 3.15Å; A205-I208 HydrophobicContact CB-CD1 4.42Å; A205-I208 HydrophobicContact CB-CG1 4.43Å; A205-I208 WeakPolarHBondContact O-CB 3.25Å; A205-I208 PolarHBondContact O-N 3.44Å; A205-I209 PolarHBondContact O-N 3.3Å; A205-V218 HydrophobicContact CB-CB 3.97Å; A205-V218 HydrophobicContact CB-CG1 3.83Å; A205-W221 HydrophobicContact CB-CB 3.97Å; A205-W221 HydrophobicContact CB-CD2 4.38Å; A205-W221 HydrophobicContact CB-CG 3.84Å
206	P	98.4	Very high	96.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-54.4	-37.7	-178.2	-25.1	31.5	0	0	0	113.6	I208 I209 L210 W221 I249 V274	P206-I208 VanDerWaalsContact C-N 3.33Å; P206-I208 PolarHBondContact O-N 3.28Å; P206-I209 PolarHBondContact O-N 2.98Å; P206-L210 WeakPolarHBondContact O-CB 3.39Å; P206-L210 WeakPolarHBondContact O-CG 3.32Å; P206-L210 PolarHBondContact O-N 2.93Å; P206-W221 HydrophobicContact CG-CE3 4.15Å; P206-W221 HydrophobicContact CG-CH2 3.54Å; P206-W221 HydrophobicContact CG-CZ2 3.96Å; P206-W221 HydrophobicContact CG-CZ3 3.63Å; P206-I249 HydrophobicContact CB-CG2 4.25Å; P206-I249 HydrophobicContact CG-CG2 3.74Å; P206-V274 HydrophobicContact CB-CG1 4.1Å; P206-V274 HydrophobicContact CG-CB 4.42Å; P206-V274 HydrophobicContact CG-CG1 4.22Å; P206-V274 HydrophobicContact CG-CG2 4.06Å
207	E	98.1	Very high	97	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-28.5	179.6	62.2	-87.9	-156.4	0	0	114	A205 S211 K212 V218 L276 R279	A205-E207 HydrophobicContact CB-CG 4.4Å; A205-E207 PolarHBondContact O-N 2.78Å; A205-E207 VanDerWaalsContact O-N 3.15Å; E207-S211 PolarHBondContact O-N 2.86Å; E207-K212 HydrophobicContact CB-CB 4.26Å; E207-K212 WeakPolarHBondContact O-CB 3.45Å; E207-K212 PolarHBondContact O-N 3.26Å; E207-V218 HydrophobicContact CG-CG1 4.14Å; E207-V218 WeakPolarHBondContact OE1-CG1 3.5Å; E207-L276 WeakPolarHBondContact OE1-CD2 3.41Å; E207-R279 IonicContact OE1-CZ 3.45Å; E207-R279 IonicContact OE1-NH1 2.85Å; E207-R279 PolarHBondContact OE1-NH1 3.24Å; E207-R279 IonicContact OE1-NH2 3.61Å; E207-R279 IonicContact OE2-CZ 2.78Å; E207-R279 IonicContact OE2-NH1 3.8Å; E207-R279 PolarHBondContact OE2-NH1 3.03Å; E207-R279 IonicContact OE2-NH2 3.63Å; E207-R279 PolarHBondContact OE2-NH2 2.96Å
208	I	98	Very high	97.1	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-48.2	174	-61.4	177.5	0	0	0	109.1	L197 L204 A205 P206 L210 S211 Y214 V218	L197-I208 HydrophobicContact CD1-CG2 3.87Å; L204-I208 HydrophobicContact CD2-CD1 4.32Å; L204-I208 HydrophobicContact CD2-CG2 4.16Å; A205-I208 HydrophobicContact CB-CD1 4.42Å; A205-I208 HydrophobicContact CB-CG1 4.43Å; A205-I208 WeakPolarHBondContact O-CB 3.25Å; A205-I208 PolarHBondContact O-N 3.44Å; P206-I208 VanDerWaalsContact C-N 3.33Å; P206-I208 PolarHBondContact O-N 3.28Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.39Å; I208-S211 PolarHBondContact O-N 3.27Å; I208-Y214 HydrophobicContact CD1-CD2 4.49Å; I208-Y214 HydrophobicContact CD1-CE2 4.36Å; I208-Y214 HydrophobicContact CG1-CD1 3.76Å; I208-Y214 HydrophobicContact CG1-CD2 4.23Å; I208-Y214 HydrophobicContact CG1-CE1 3.94Å; I208-Y214 HydrophobicContact CG1-CE2 4.4Å; I208-Y214 HydrophobicContact CG1-CG 3.9Å; I208-Y214 HydrophobicContact CG2-CE1 4.49Å; I208-V218 HydrophobicContact CD1-CB 3.95Å; I208-V218 HydrophobicContact CD1-CG1 3.76Å; I208-V218 HydrophobicContact CD1-CG2 4.37Å; I208-V218 HydrophobicContact CG1-CG1 3.83Å
209	I	97.5	Very high	97.4	Very high	32 Å²	32	31.5 Å²	31.5	16%	0.164	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-43.3	179.7	-63.7	166.6	0	0	0	110.8	L204 A205 P206 S211 Y246 I249 V250	L204-I209 HydrophobicContact CB-CD1 4.05Å; L204-I209 HydrophobicContact CB-CG1 3.96Å; L204-I209 HydrophobicContact CD1-CG1 4.18Å; A205-I209 PolarHBondContact O-N 3.3Å; P206-I209 PolarHBondContact O-N 2.98Å; I209-S211 PolarHBondContact O-N 2.75Å; I209-S211 VanDerWaalsContact O-N 3.11Å; I209-Y246 HydrophobicContact CD1-CD1 3.82Å; I209-Y246 HydrophobicContact CD1-CG 4.23Å; I209-Y246 HydrophobicContact CG1-CD1 4.07Å; I209-Y246 HydrophobicContact CG1-CG 4.34Å; I209-Y246 HydrophobicContact CG2-CD2 4.48Å; I209-Y246 HydrophobicContact CG2-CG 4.06Å; I209-I249 HydrophobicContact CD1-CB 3.81Å; I209-I249 HydrophobicContact CD1-CD1 3.81Å; I209-I249 HydrophobicContact CD1-CG1 4.42Å; I209-I249 HydrophobicContact CD1-CG2 3.51Å; I209-V250 HydrophobicContact CB-CG2 4.36Å; I209-V250 HydrophobicContact CG2-CG2 3.9Å
210	L	96.7	Very high	97.6	Very high	78 Å²	78	30.6 Å²	30.6	41%	0.408	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	8.5	177.4	-65.4	173.3	0	0	0	113.4	P206 I208 K212 V250	P206-L210 WeakPolarHBondContact O-CB 3.39Å; P206-L210 WeakPolarHBondContact O-CG 3.32Å; P206-L210 PolarHBondContact O-N 2.93Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.39Å; L210-K212 HydrophobicContact CB-CD 4.29Å; L210-K212 HydrophobicContact CB-CG 4.17Å; L210-K212 PolarHBondContact O-N 3.07Å; L210-K212 VanDerWaalsContact O-N 3.12Å; L210-V250 HydrophobicContact CD1-CG1 4.37Å; L210-V250 HydrophobicContact CD2-CG1 4.11Å; L210-V250 HydrophobicContact CD2-CG2 4.13Å; L210-V250 HydrophobicContact CG-CG2 4.12Å
211	S	95.2	Very high	97.7	Very high	94 Å²	94	29.3 Å²	29.3	66%	0.657	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	32.5	179	-58.8	0	0	0	0	113.5	E207 I208 I209	E207-S211 PolarHBondContact O-N 2.86Å; I208-S211 PolarHBondContact O-N 3.27Å; I209-S211 PolarHBondContact O-N 2.75Å; I209-S211 VanDerWaalsContact O-N 3.11Å
212	K	95.7	Very high	97.8	Very high	125 Å²	125	28 Å²	28	54%	0.543	15%	0.146	S	C	.	.			trans	-87.7	146.7	175	-64.2	178.3	-179.4	175.2	0	109.1	E207 L210 Y214	E207-K212 HydrophobicContact CB-CB 4.26Å; E207-K212 WeakPolarHBondContact O-CB 3.45Å; E207-K212 PolarHBondContact O-N 3.26Å; L210-K212 HydrophobicContact CB-CD 4.29Å; L210-K212 HydrophobicContact CB-CG 4.17Å; L210-K212 PolarHBondContact O-N 3.07Å; L210-K212 VanDerWaalsContact O-N 3.12Å; K212-Y214 PolarHBondContact O-N 2.86Å
213	G	95.6	Very high	97.8	Very high	10 Å²	10	25.3 Å²	25.3	10%	0.103	13%	0.134	C	C	.	.			trans	-59.8	123.3	170.6	0	0	0	0	0	110.2	R193 T194	R193-G213 WeakPolarHBondContact CD-O 3.15Å; T194-G213 CarbonylContact O-C 3.57Å; T194-G213 WeakPolarHBondContact O-CA 3.37Å
214	Y	97.8	Very high	97.8	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.016	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-119.6	164.1	-172.2	65	-95.1	0	0	0	112.1	R164 R193 T194 T196 I208 K212 V218	R164-Y214 WeakPolarHBondContact CD-OH 3.34Å; R164-Y214 HydrophobicContact CG-CE2 4.49Å; R164-Y214 PolarHBondContact NH1-OH 2.89Å; R193-Y214 CarbonylContact C-O 3.56Å; R193-Y214 WeakPolarHBondContact CA-O 3.47Å; T194-Y214 HydrophobicContact CG2-CD2 3.9Å; T194-Y214 HydrophobicContact CG2-CE1 4.03Å; T194-Y214 HydrophobicContact CG2-CE2 3.29Å; T194-Y214 HydrophobicContact CG2-CG 4.49Å; T194-Y214 PolarHBondContact N-O 3.34Å; T194-Y214 VanDerWaalsContact O-CD1 3.28Å; T194-Y214 WeakPolarHBondContact O-CD1 3.41Å; T194-Y214 PolarHBondContact O-N 3.19Å; T196-Y214 WeakPolarHBondContact O-CE1 3.32Å; T196-Y214 PolarHBondContact O-OH 3.44Å; I208-Y214 HydrophobicContact CD1-CD2 4.49Å; I208-Y214 HydrophobicContact CD1-CE2 4.36Å; I208-Y214 HydrophobicContact CG1-CD1 3.76Å; I208-Y214 HydrophobicContact CG1-CD2 4.23Å; I208-Y214 HydrophobicContact CG1-CE1 3.94Å; I208-Y214 HydrophobicContact CG1-CE2 4.4Å; I208-Y214 HydrophobicContact CG1-CG 3.9Å; I208-Y214 HydrophobicContact CG2-CE1 4.49Å; K212-Y214 PolarHBondContact O-N 2.86Å; Y214-V218 HydrophobicContact CD2-CB 4.5Å; Y214-V218 HydrophobicContact CD2-CG1 3.61Å; Y214-V218 HydrophobicContact CD2-CG2 4.08Å; Y214-V218 HydrophobicContact CE2-CG1 4.46Å; Y214-V218 HydrophobicContact CE2-CG2 4.33Å; Y214-V218 HydrophobicContact CG-CG1 3.95Å
215	N	97	Very high	97.9	Very high	42 Å²	42	24.3 Å²	24.3	23%	0.225	13%	0.129	C	C	.	.			trans	-131.6	-165	-178.9	70.4	4.1	0	0	0	110.3	A217 V218 N282	N215-A217 PolarHBondContact O-N 2.82Å; N215-A217 WeakPolarHBondContact OD1-CB 3.49Å; N215-A217 PolarHBondContact OD1-N 3.45Å; N215-V218 WeakPolarHBondContact O-CG2 3.32Å; N215-V218 PolarHBondContact O-N 3.47Å; N215-N282 PolarHBondContact ND2-OD1 3.43Å
216	K	97.9	Very high	97.9	Very high	90 Å²	90	24.3 Å²	24.3	39%	0.391	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-11.8	178	63.1	177.6	175	-174.2	0	116.5	H157 I162 V218 D219	H157-K216 HydrophobicContact CB-CD 3.81Å; H157-K216 PolarHBondContact CE1-O 2.81Å; I162-K216 HydrophobicContact CG1-CB 4.17Å; K216-V218 PolarHBondContact O-N 3.02Å; K216-D219 PolarHBondContact O-N 3.19Å
217	A	98.2	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-17.6	176.7	0	0	0	0	0	114.1	N215 D219 W220 W221 L276 R279 N282	N215-A217 PolarHBondContact O-N 2.82Å; N215-A217 WeakPolarHBondContact OD1-CB 3.49Å; N215-A217 PolarHBondContact OD1-N 3.45Å; A217-D219 VanDerWaalsContact C-N 3.33Å; A217-W220 PolarHBondContact O-N 3.01Å; A217-W221 PolarHBondContact O-N 3Å; A217-L276 HydrophobicContact CB-CD2 3.79Å; A217-R279 PolarHBondContact O-NH1 3.01Å; A217-N282 HydrophobicContact CB-CB 3.84Å
218	V	98.6	Very high	97.9	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-34.6	175.3	-56.9	0	0	0	0	111.8	I162 R164 A205 E207 I208 Y214 N215 K216 W220 W221 A222	I162-V218 HydrophobicContact CG2-CG2 3.84Å; R164-V218 HydrophobicContact CG-CG2 4.47Å; A205-V218 HydrophobicContact CB-CB 3.97Å; A205-V218 HydrophobicContact CB-CG1 3.83Å; E207-V218 HydrophobicContact CG-CG1 4.14Å; E207-V218 WeakPolarHBondContact OE1-CG1 3.5Å; I208-V218 HydrophobicContact CD1-CB 3.95Å; I208-V218 HydrophobicContact CD1-CG1 3.76Å; I208-V218 HydrophobicContact CD1-CG2 4.37Å; I208-V218 HydrophobicContact CG1-CG1 3.83Å; Y214-V218 HydrophobicContact CD2-CB 4.5Å; Y214-V218 HydrophobicContact CD2-CG1 3.61Å; Y214-V218 HydrophobicContact CD2-CG2 4.08Å; Y214-V218 HydrophobicContact CE2-CG1 4.46Å; Y214-V218 HydrophobicContact CE2-CG2 4.33Å; Y214-V218 HydrophobicContact CG-CG1 3.95Å; N215-V218 WeakPolarHBondContact O-CG2 3.32Å; N215-V218 PolarHBondContact O-N 3.47Å; K216-V218 PolarHBondContact O-N 3.02Å; V218-W220 VanDerWaalsContact C-N 3.34Å; V218-W220 PolarHBondContact O-N 2.85Å; V218-W221 WeakPolarHBondContact O-CB 3.35Å; V218-W221 PolarHBondContact O-N 2.96Å; V218-A222 PolarHBondContact O-N 2.9Å
219	D	98.8	Very high	98	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-37.5	177	-71.4	-18.6	0	0	0	110.6	F153 H157 I162 Y163 R164 K216 A217 A222 L223	F153-D219 HydrophobicContact CD2-CB 3.93Å; F153-D219 HydrophobicContact CE1-CB 4.27Å; F153-D219 HydrophobicContact CE2-CB 3.65Å; F153-D219 VanDerWaalsContact CE2-O 3.24Å; F153-D219 WeakPolarHBondContact CE2-O 3.33Å; F153-D219 HydrophobicContact CG-CB 4.36Å; F153-D219 HydrophobicContact CZ-CB 3.81Å; H157-D219 IonicContact CD2-OD2 2.68Å; H157-D219 IonicContact CE1-OD2 3.4Å; H157-D219 IonicContact NE2-OD2 2.76Å; H157-D219 PolarHBondContact NE2-OD2 3.33Å; I162-D219 WeakPolarHBondContact CG2-OD2 3.28Å; Y163-D219 PolarHBondContact N-OD1 3.37Å; Y163-D219 PolarHBondContact N-OD2 3.28Å; R164-D219 PolarHBondContact N-OD1 2.6Å; K216-D219 PolarHBondContact O-N 3.19Å; A217-D219 VanDerWaalsContact C-N 3.33Å; D219-A222 PolarHBondContact O-N 2.68Å; D219-L223 PolarHBondContact O-N 3.4Å
220	W	98.9	Very high	98	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-69.2	-32.7	175.8	-60.7	123.8	0	0	0	113.1	V150 F153 H157 A217 V218 L223 G224 L271 G281 V287 I290	V150-W220 HydrophobicContact CG2-CZ3 4.31Å; F153-W220 HydrophobicContact CB-CH2 3.56Å; F153-W220 HydrophobicContact CB-CZ2 4.06Å; F153-W220 HydrophobicContact CB-CZ3 3.9Å; F153-W220 HydrophobicContact CD2-CE3 4.03Å; F153-W220 HydrophobicContact CD2-CH2 4.41Å; F153-W220 AromaticContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CG-CZ3 4.44Å; H157-W220 AromaticContact CE1-CE2 3.66Å; H157-W220 AromaticContact CE1-CZ2 3.87Å; H157-W220 AromaticContact CE1-NE1 3.53Å; H157-W220 AromaticContact ND1-CE2 3.65Å; H157-W220 AromaticContact ND1-CZ2 3.59Å; H157-W220 AromaticContact ND1-NE1 3.46Å; H157-W220 PolarHBondContact ND1-NE1 2.76Å; A217-W220 PolarHBondContact O-N 3.01Å; V218-W220 VanDerWaalsContact C-N 3.34Å; V218-W220 PolarHBondContact O-N 2.85Å; W220-L223 HydrophobicContact CE3-CD2 3.72Å; W220-L223 HydrophobicContact CZ3-CD2 3.86Å; W220-G224 PolarHBondContact O-N 3.16Å; W220-L271 HydrophobicContact CB-CD2 4.36Å; W220-G281 PolarHBondContact NE1-O 2.89Å; W220-V287 HydrophobicContact CH2-CB 4.23Å; W220-V287 HydrophobicContact CH2-CG2 3.55Å; W220-V287 HydrophobicContact CZ2-CB 4.12Å; W220-V287 HydrophobicContact CZ2-CG2 3.96Å; W220-V287 HydrophobicContact CZ3-CG2 4.37Å; W220-I290 HydrophobicContact CD2-CD1 3.59Å; W220-I290 HydrophobicContact CE3-CD1 3.23Å; W220-I290 HydrophobicContact CG-CD1 4.22Å; W220-I290 HydrophobicContact CH2-CD1 4.2Å; W220-I290 HydrophobicContact CZ2-CD1 4.49Å; W220-I290 HydrophobicContact CZ3-CD1 3.57Å
221	W	98.8	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-50.1	168.5	172.6	-82.9	0	0	0	110.6	L204 A205 P206 A217 V218 L223 G224 V225 F237 I249 L272 V274	L204-W221 PolarHBondContact O-NE1 2.76Å; L204-W221 VanDerWaalsContact O-NE1 3.11Å; A205-W221 HydrophobicContact CB-CB 3.97Å; A205-W221 HydrophobicContact CB-CD2 4.38Å; A205-W221 HydrophobicContact CB-CG 3.84Å; P206-W221 HydrophobicContact CG-CE3 4.15Å; P206-W221 HydrophobicContact CG-CH2 3.54Å; P206-W221 HydrophobicContact CG-CZ2 3.96Å; P206-W221 HydrophobicContact CG-CZ3 3.63Å; A217-W221 PolarHBondContact O-N 3Å; V218-W221 WeakPolarHBondContact O-CB 3.35Å; V218-W221 PolarHBondContact O-N 2.96Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 3.43Å; W221-G224 WeakPolarHBondContact O-CA 3.31Å; W221-G224 PolarHBondContact O-N 3.28Å; W221-V225 PolarHBondContact O-N 2.8Å; W221-F237 HydrophobicContact CH2-CE2 4.14Å; W221-F237 HydrophobicContact CH2-CZ 4.13Å; W221-F237 HydrophobicContact CZ2-CD2 4.42Å; W221-F237 AromaticContact CZ2-CE2 3.5Å; W221-F237 HydrophobicContact CZ2-CE2 3.5Å; W221-F237 AromaticContact CZ2-CZ 3.95Å; W221-F237 HydrophobicContact CZ2-CZ 3.95Å; W221-I249 HydrophobicContact CH2-CG2 4.32Å; W221-I249 HydrophobicContact CZ2-CG2 3.73Å; W221-L272 HydrophobicContact CD2-CD2 4.07Å; W221-L272 HydrophobicContact CE3-CD2 4.4Å; W221-L272 HydrophobicContact CG-CD2 4.5Å; W221-L272 HydrophobicContact CH2-CB 4.41Å; W221-L272 HydrophobicContact CZ2-CD2 4.26Å; W221-L272 HydrophobicContact CZ3-CB 4.25Å; W221-L272 WeakPolarHBondContact CZ3-O 3.38Å; W221-V274 HydrophobicContact CH2-CG2 4.41Å; W221-V274 HydrophobicContact CZ3-CG2 4.32Å
222	A	98.9	Very high	98.1	Very high	6 Å²	6	14.8 Å²	14.8	5%	0.05	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-35.7	179.4	0	0	0	0	0	112	L166 Y203 V218 D219 G224 V225 L226	L166-A222 HydrophobicContact CB-CB 3.97Å; L166-A222 HydrophobicContact CD2-CB 4.19Å; Y203-A222 HydrophobicContact CD1-CB 4.17Å; V218-A222 PolarHBondContact O-N 2.9Å; D219-A222 PolarHBondContact O-N 2.68Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 2.99Å; A222-V225 WeakPolarHBondContact O-CB 3.42Å; A222-V225 PolarHBondContact O-N 2.94Å; A222-V225 VanDerWaalsContact O-N 3.16Å; A222-L226 PolarHBondContact O-N 2.92Å
223	L	98.9	Very high	98.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.8	-41.4	170.3	175.6	64.9	0	0	0	111.7	A146 I149 V150 F153 L166 D219 W220 W221 V225 L226 I227 L271	A146-L223 HydrophobicContact CB-CD1 4.46Å; I149-L223 HydrophobicContact CB-CD1 4.01Å; I149-L223 HydrophobicContact CG2-CD1 3.83Å; V150-L223 HydrophobicContact CG2-CD2 3.53Å; F153-L223 HydrophobicContact CE2-CB 4.26Å; L166-L223 HydrophobicContact CD2-CB 4.42Å; D219-L223 PolarHBondContact O-N 3.4Å; W220-L223 HydrophobicContact CE3-CD2 3.72Å; W220-L223 HydrophobicContact CZ3-CD2 3.86Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 3.43Å; L223-V225 VanDerWaalsContact C-N 3.34Å; L223-L226 PolarHBondContact O-N 3.33Å; L223-I227 HydrophobicContact CD1-CD1 3.89Å; L223-I227 HydrophobicContact CD1-CG1 4.05Å; L223-I227 HydrophobicContact CD2-CD1 4.43Å; L223-I227 HydrophobicContact CG-CD1 3.83Å; L223-I227 HydrophobicContact CG-CG1 4.37Å; L223-I227 WeakPolarHBondContact O-CB 3.35Å; L223-I227 VanDerWaalsContact O-CG1 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.5Å; L223-I227 PolarHBondContact O-N 3.17Å; L223-L271 HydrophobicContact CD2-CD1 4.35Å; L223-L271 HydrophobicContact CG-CD1 4.32Å
224	G	98.9	Very high	98.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.6	-42.4	173.8	0	0	0	0	0	112.5	W220 W221 A222 Y228 L268	W220-G224 PolarHBondContact O-N 3.16Å; W221-G224 WeakPolarHBondContact O-CA 3.31Å; W221-G224 PolarHBondContact O-N 3.28Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 2.99Å; G224-Y228 WeakPolarHBondContact O-CB 3.44Å; G224-Y228 PolarHBondContact O-N 3.12Å; G224-L268 WeakPolarHBondContact O-CD2 3.31Å
225	V	98.9	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.5	-47.5	176	-179.3	0	0	0	0	110.1	E202 Y203 W221 A222 L223 I227 Y228 E229 P236 L272	E202-V225 WeakPolarHBondContact O-CG1 3.25Å; Y203-V225 HydrophobicContact CD1-CB 3.68Å; Y203-V225 HydrophobicContact CD1-CG1 3.56Å; Y203-V225 HydrophobicContact CD2-CG1 4.09Å; Y203-V225 HydrophobicContact CE1-CB 3.72Å; Y203-V225 HydrophobicContact CE1-CG1 3.46Å; Y203-V225 VanDerWaalsContact CE1-CG1 3.46Å; Y203-V225 HydrophobicContact CE2-CG1 3.96Å; Y203-V225 HydrophobicContact CG-CB 4.37Å; Y203-V225 HydrophobicContact CG-CG1 3.89Å; W221-V225 PolarHBondContact O-N 2.8Å; A222-V225 WeakPolarHBondContact O-CB 3.42Å; A222-V225 PolarHBondContact O-N 2.94Å; A222-V225 VanDerWaalsContact O-N 3.16Å; L223-V225 VanDerWaalsContact C-N 3.34Å; V225-I227 PolarHBondContact O-N 2.98Å; V225-Y228 WeakPolarHBondContact O-CB 3.12Å; V225-Y228 PolarHBondContact O-N 3.3Å; V225-E229 WeakPolarHBondContact O-CB 3.24Å; V225-E229 PolarHBondContact O-N 3.39Å; V225-P236 HydrophobicContact CB-CG 4.43Å; V225-P236 HydrophobicContact CG1-CG 4.13Å; V225-P236 HydrophobicContact CG2-CG 4.28Å; V225-L272 HydrophobicContact CG2-CD2 3.71Å
226	L	98.8	Very high	98.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-46.2	179.7	-175.9	67.6	0	0	0	112.3	M127 I149 L166 P168 L171 Y203 A222 L223 Y228 E229 M230	M127-L226 HydrophobicContact SD-CD1 4.38Å; I149-L226 HydrophobicContact CG1-CD2 3.97Å; L166-L226 HydrophobicContact CD1-CD2 4.12Å; L166-L226 HydrophobicContact CD2-CB 4.04Å; L166-L226 HydrophobicContact CD2-CD2 3.86Å; L166-L226 HydrophobicContact CG-CD2 4.1Å; P168-L226 HydrophobicContact CG-CD1 3.88Å; L171-L226 HydrophobicContact CD1-CD1 4.04Å; L171-L226 HydrophobicContact CD1-CD2 3.64Å; L171-L226 HydrophobicContact CD1-CG 4.5Å; Y203-L226 HydrophobicContact CE1-CB 4.02Å; A222-L226 PolarHBondContact O-N 2.92Å; L223-L226 PolarHBondContact O-N 3.33Å; L226-Y228 VanDerWaalsContact C-N 3.32Å; L226-Y228 PolarHBondContact O-N 2.96Å; L226-E229 PolarHBondContact O-N 3.35Å; L226-M230 HydrophobicContact CD1-CG 4.44Å; L226-M230 HydrophobicContact CD2-CE 4.43Å; L226-M230 HydrophobicContact CG-CE 4.06Å; L226-M230 HydrophobicContact CG-CG 4.48Å; L226-M230 HydrophobicContact CG-SD 4.46Å; L226-M230 WeakPolarHBondContact O-CB 3.19Å; L226-M230 WeakPolarHBondContact O-CG 3.31Å; L226-M230 PolarHBondContact O-N 3.33Å
227	I	98.9	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.2	-43.9	178.3	-70.1	170.4	0	0	0	110.4	A146 L223 V225 M230 A231 L264 L267 L268 L271 W295	A146-I227 HydrophobicContact CB-CD1 3.83Å; A146-I227 HydrophobicContact CB-CG1 3.65Å; L223-I227 HydrophobicContact CD1-CD1 3.89Å; L223-I227 HydrophobicContact CD1-CG1 4.05Å; L223-I227 HydrophobicContact CD2-CD1 4.43Å; L223-I227 HydrophobicContact CG-CD1 3.83Å; L223-I227 HydrophobicContact CG-CG1 4.37Å; L223-I227 WeakPolarHBondContact O-CB 3.35Å; L223-I227 VanDerWaalsContact O-CG1 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.5Å; L223-I227 PolarHBondContact O-N 3.17Å; V225-I227 PolarHBondContact O-N 2.98Å; I227-M230 HydrophobicContact CG1-CE 4.33Å; I227-A231 WeakPolarHBondContact O-CB 3.3Å; I227-A231 PolarHBondContact O-N 2.81Å; I227-A231 VanDerWaalsContact O-N 3.15Å; I227-L264 HydrophobicContact CG2-CD1 3.52Å; I227-L267 HydrophobicContact CD1-CD2 4.13Å; I227-L268 HydrophobicContact CB-CD2 3.96Å; I227-L268 HydrophobicContact CG2-CD2 3.85Å; I227-L268 HydrophobicContact CG2-CG 4.47Å; I227-L271 HydrophobicContact CD1-CD1 4Å; I227-W295 HydrophobicContact CD1-CZ3 4.41Å; I227-W295 HydrophobicContact CG2-CH2 4.02Å; I227-W295 HydrophobicContact CG2-CZ2 4.46Å; I227-W295 HydrophobicContact CG2-CZ3 4.44Å
228	Y	98.8	Very high	98.3	Very high	6 Å²	6	13.5 Å²	13.5	2%	0.024	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-51.5	175.5	-175.9	-68.5	0	0	0	110.2	G224 V225 L226 M230 A231 A232 Y234 P236 V254 K255 F256 F260 L268	G224-Y228 WeakPolarHBondContact O-CB 3.44Å; G224-Y228 PolarHBondContact O-N 3.12Å; V225-Y228 WeakPolarHBondContact O-CB 3.12Å; V225-Y228 PolarHBondContact O-N 3.3Å; L226-Y228 VanDerWaalsContact C-N 3.32Å; L226-Y228 PolarHBondContact O-N 2.96Å; Y228-M230 PolarHBondContact O-N 3.18Å; Y228-A231 PolarHBondContact O-N 2.88Å; Y228-A232 HydrophobicContact CD1-CB 3.85Å; Y228-A232 HydrophobicContact CE1-CB 3.58Å; Y228-A232 VanDerWaalsContact O-CB 3.23Å; Y228-A232 WeakPolarHBondContact O-CB 3.48Å; Y228-A232 PolarHBondContact O-N 3.46Å; Y228-Y234 VanDerWaalsContact CD1-O 3.24Å; Y228-Y234 WeakPolarHBondContact CD1-O 3.46Å; Y228-Y234 HydrophobicContact CE1-CD2 4.04Å; Y228-Y234 AromaticContact CE1-CE2 3.83Å; Y228-Y234 HydrophobicContact CE1-CE2 3.83Å; Y228-Y234 VanDerWaalsContact CE1-O 3.28Å; Y228-Y234 WeakPolarHBondContact CE1-O 3.46Å; Y228-P236 HydrophobicContact CD1-CB 3.9Å; Y228-P236 HydrophobicContact CD1-CG 4.22Å; Y228-P236 HydrophobicContact CD2-CB 3.75Å; Y228-P236 HydrophobicContact CD2-CG 4.43Å; Y228-P236 HydrophobicContact CE1-CB 4.06Å; Y228-P236 HydrophobicContact CE2-CB 3.88Å; Y228-P236 HydrophobicContact CG-CB 3.78Å; Y228-P236 HydrophobicContact CG-CG 4.05Å; Y228-V254 HydrophobicContact CD2-CG1 4.21Å; Y228-V254 HydrophobicContact CE2-CG1 3.84Å; Y228-K255 WeakPolarHBondContact CE2-O 3.48Å; Y228-K255 PolarHBondContact OH-O 2.88Å; Y228-F256 HydrophobicContact CD2-CD1 4.23Å; Y228-F256 HydrophobicContact CD2-CE1 4.29Å; Y228-F256 AromaticContact CE2-CD1 3.98Å; Y228-F256 HydrophobicContact CE2-CD1 3.98Å; Y228-F256 HydrophobicContact CE2-CE1 4.35Å; Y228-F260 AromaticContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CZ 4.48Å; Y228-F260 HydrophobicContact CE2-CE2 4.2Å; Y228-F260 HydrophobicContact CG-CE2 4.35Å; Y228-L268 HydrophobicContact CD2-CD1 4.05Å
229	E	98.6	Very high	98.2	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.037	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-43.1	-175.9	-173.7	169.5	-179	0	0	112	L131 R132 Y203 V225 L226 A231 G233 Y234	L131-E229 HydrophobicContact CD2-CG 3.98Å; R132-E229 IonicContact CZ-OE1 3.92Å; R132-E229 IonicContact NH2-OE1 2.78Å; R132-E229 PolarHBondContact NH2-OE1 2.85Å; Y203-E229 PolarHBondContact OH-OE2 3.22Å; V225-E229 WeakPolarHBondContact O-CB 3.24Å; V225-E229 PolarHBondContact O-N 3.39Å; L226-E229 PolarHBondContact O-N 3.35Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 3.43Å; E229-G233 VanDerWaalsContact O-CA 3.29Å; E229-G233 WeakPolarHBondContact O-CA 3.47Å; E229-G233 PolarHBondContact O-N 3.04Å; E229-Y234 WeakPolarHBondContact CA-O 3.38Å
230	M	97.7	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-44.4	174.6	-73.7	-170.5	-64.2	0	0	112.1	M127 F137 S142 Y145 A146 L226 I227 Y228	M127-M230 HydrophobicContact CE-SD 4.02Å; M127-M230 HydrophobicContact SD-CG 4.21Å; M127-M230 HydrophobicContact SD-SD 3.88Å; F137-M230 WeakPolarHBondContact CB-O 3.47Å; F137-M230 HydrophobicContact CD2-CB 3.9Å; F137-M230 HydrophobicContact CD2-CG 3.86Å; F137-M230 HydrophobicContact CD2-SD 3.99Å; F137-M230 HydrophobicContact CE2-CG 4.14Å; F137-M230 HydrophobicContact CE2-SD 4.21Å; F137-M230 PolarHBondContact N-O 3.4Å; S142-M230 WeakPolarHBondContact O-CE 3.41Å; Y145-M230 HydrophobicContact CD2-SD 4.14Å; Y145-M230 HydrophobicContact CG-SD 4.37Å; A146-M230 HydrophobicContact CB-CE 4.31Å; L226-M230 HydrophobicContact CD1-CG 4.44Å; L226-M230 HydrophobicContact CD2-CE 4.43Å; L226-M230 HydrophobicContact CG-CE 4.06Å; L226-M230 HydrophobicContact CG-CG 4.48Å; L226-M230 HydrophobicContact CG-SD 4.46Å; L226-M230 WeakPolarHBondContact O-CB 3.19Å; L226-M230 WeakPolarHBondContact O-CG 3.31Å; L226-M230 PolarHBondContact O-N 3.33Å; I227-M230 HydrophobicContact CG1-CE 4.33Å; Y228-M230 PolarHBondContact O-N 3.18Å
231	A	97.4	Very high	98	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-81.8	-25.7	-174.7	0	0	0	0	0	113.9	I227 Y228 E229 H259 F260 L264	I227-A231 WeakPolarHBondContact O-CB 3.3Å; I227-A231 PolarHBondContact O-N 2.81Å; I227-A231 VanDerWaalsContact O-N 3.15Å; Y228-A231 PolarHBondContact O-N 2.88Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 3.43Å; A231-H259 PolarHBondContact O-NE2 2.82Å; A231-F260 HydrophobicContact CB-CD1 4.49Å; A231-F260 HydrophobicContact CB-CE1 3.62Å; A231-F260 HydrophobicContact CB-CZ 3.64Å; A231-L264 HydrophobicContact CB-CD2 3.85Å
232	A	97.9	Very high	97.8	Very high	9 Å²	9	29.5 Å²	29.5	7%	0.074	15%	0.154	C	C	.	.	H	α-helix	trans	-95.7	-33.5	-179.8	0	0	0	0	0	113.3	Y228 Y234 P257 F260	Y228-A232 HydrophobicContact CD1-CB 3.85Å; Y228-A232 HydrophobicContact CE1-CB 3.58Å; Y228-A232 VanDerWaalsContact O-CB 3.23Å; Y228-A232 WeakPolarHBondContact O-CB 3.48Å; Y228-A232 PolarHBondContact O-N 3.46Å; A232-Y234 HydrophobicContact CB-CD1 4.13Å; A232-Y234 HydrophobicContact CB-CD2 4.44Å; A232-Y234 HydrophobicContact CB-CE1 3.94Å; A232-Y234 HydrophobicContact CB-CE2 4.25Å; A232-Y234 HydrophobicContact CB-CG 4.38Å; A232-Y234 WeakPolarHBondContact O-CD1 3.42Å; A232-P257 HydrophobicContact CB-CG 4.06Å; A232-F260 HydrophobicContact CB-CE1 4.14Å; A232-F260 HydrophobicContact CB-CZ 3.84Å
233	G	96.8	Very high	97.7	Very high	9 Å²	9	34.2 Å²	34.2	9%	0.093	18%	0.178	C	C	.	.	S	Bend	trans	90.5	-0.6	-169.2	0	0	0	0	0	114.8	R132 G135 E229	R132-G233 PolarHBondContact NH1-O 3.44Å; G135-G233 WeakPolarHBondContact O-CA 3.47Å; E229-G233 VanDerWaalsContact O-CA 3.29Å; E229-G233 WeakPolarHBondContact O-CA 3.47Å; E229-G233 PolarHBondContact O-N 3.04Å
234	Y	97.5	Very high	97.7	Very high	93 Å²	93	38.1 Å²	38.1	37%	0.365	20%	0.196	S	C	.	.	S	Bend	trans	-152.5	150.9	-179.6	56.8	-93.1	0	0	0	109.6	Y228 E229 A232 F238	Y228-Y234 VanDerWaalsContact CD1-O 3.24Å; Y228-Y234 WeakPolarHBondContact CD1-O 3.46Å; Y228-Y234 HydrophobicContact CE1-CD2 4.04Å; Y228-Y234 AromaticContact CE1-CE2 3.83Å; Y228-Y234 HydrophobicContact CE1-CE2 3.83Å; Y228-Y234 VanDerWaalsContact CE1-O 3.28Å; Y228-Y234 WeakPolarHBondContact CE1-O 3.46Å; E229-Y234 WeakPolarHBondContact CA-O 3.38Å; A232-Y234 HydrophobicContact CB-CD1 4.13Å; A232-Y234 HydrophobicContact CB-CD2 4.44Å; A232-Y234 HydrophobicContact CB-CE1 3.94Å; A232-Y234 HydrophobicContact CB-CE2 4.25Å; A232-Y234 HydrophobicContact CB-CG 4.38Å; A232-Y234 WeakPolarHBondContact O-CD1 3.42Å; Y234-F238 HydrophobicContact CD2-CD1 4.43Å; Y234-F238 AromaticContact CD2-CE1 3.89Å; Y234-F238 HydrophobicContact CD2-CE1 3.89Å; Y234-F238 HydrophobicContact CE2-CE1 4.33Å
235	P	98.1	Very high	97.6	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	20%	0.197	C	C	.	.			trans	-69.9	157.3	-178.1	28.7	-35.4	0	0	0	112.2	E202 F237 F238	E202-P235 HydrophobicContact CB-CB 4.29Å; E202-P235 HydrophobicContact CB-CG 4.49Å; E202-P235 HydrophobicContact CG-CB 4.46Å; E202-P235 HydrophobicContact CG-CG 4.13Å; P235-F237 PolarHBondContact O-N 3.23Å; P235-F238 HydrophobicContact CG-CB 4.17Å; P235-F238 WeakPolarHBondContact O-CD1 3.41Å
236	P	98.5	Very high	97.6	Very high	14 Å²	14	41 Å²	41	9%	0.091	21%	0.208	C	C	.	.	S	Bend	trans	-65.6	-26.2	-179.9	24.3	-32	0	0	0	113.5	V225 Y228 V254 L272	V225-P236 HydrophobicContact CB-CG 4.43Å; V225-P236 HydrophobicContact CG1-CG 4.13Å; V225-P236 HydrophobicContact CG2-CG 4.28Å; Y228-P236 HydrophobicContact CD1-CB 3.9Å; Y228-P236 HydrophobicContact CD1-CG 4.22Å; Y228-P236 HydrophobicContact CD2-CB 3.75Å; Y228-P236 HydrophobicContact CD2-CG 4.43Å; Y228-P236 HydrophobicContact CE1-CB 4.06Å; Y228-P236 HydrophobicContact CE2-CB 3.88Å; Y228-P236 HydrophobicContact CG-CB 3.78Å; Y228-P236 HydrophobicContact CG-CG 4.05Å; P236-V254 HydrophobicContact CB-CG1 4.13Å; P236-L272 HydrophobicContact CB-CD1 4.29Å; P236-L272 HydrophobicContact CG-CD1 4.17Å
237	F	98.2	Very high	97.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	24%	0.236	C	C	.	.	S	Bend	trans	-128.4	116.2	179.7	-44.8	-74.8	0	0	0	108.6	W221 P235 I245 K248 I249 V254	W221-F237 HydrophobicContact CH2-CE2 4.14Å; W221-F237 HydrophobicContact CH2-CZ 4.13Å; W221-F237 HydrophobicContact CZ2-CD2 4.42Å; W221-F237 AromaticContact CZ2-CE2 3.5Å; W221-F237 HydrophobicContact CZ2-CE2 3.5Å; W221-F237 AromaticContact CZ2-CZ 3.95Å; W221-F237 HydrophobicContact CZ2-CZ 3.95Å; P235-F237 PolarHBondContact O-N 3.23Å; F237-I245 HydrophobicContact CB-CG2 4.19Å; F237-K248 HydrophobicContact CB-CB 4.36Å; F237-K248 HydrophobicContact CD1-CB 3.98Å; F237-I249 HydrophobicContact CB-CD1 4.49Å; F237-I249 HydrophobicContact CB-CG1 3.83Å; F237-I249 HydrophobicContact CD1-CG1 4.29Å; F237-I249 HydrophobicContact CD2-CD1 4.45Å; F237-I249 HydrophobicContact CD2-CG1 3.54Å; F237-I249 HydrophobicContact CE2-CG1 4.12Å; F237-I249 HydrophobicContact CG-CG1 3.62Å; F237-V254 HydrophobicContact CE1-CG2 3.79Å; F237-V254 HydrophobicContact CE2-CG2 4.42Å; F237-V254 HydrophobicContact CZ-CG2 3.46Å; F237-V254 VanDerWaalsContact CZ-CG2 3.46Å
238	F	96.3	Very high	97.5	Very high	112 Å²	112	51.6 Å²	51.6	49%	0.491	26%	0.256	S	S	.	.			trans	-145.8	151.2	175.7	60.7	-84.6	0	0	0	110	Y234 P235 K248	Y234-F238 HydrophobicContact CD2-CD1 4.43Å; Y234-F238 AromaticContact CD2-CE1 3.89Å; Y234-F238 HydrophobicContact CD2-CE1 3.89Å; Y234-F238 HydrophobicContact CE2-CE1 4.33Å; P235-F238 HydrophobicContact CG-CB 4.17Å; P235-F238 WeakPolarHBondContact O-CD1 3.41Å; F238-K248 PolarHBondContact O-NZ 2.91Å
239	A	97	Very high	97.5	Very high	25 Å²	25	51.3 Å²	51.3	21%	0.207	25%	0.254	C	S	.	.			trans	-167.4	169.4	175.1	0	0	0	0	0	108.6	Q241 Q244 I245	A239-Q241 VanDerWaalsContact C-N 3.32Å; A239-Q241 PolarHBondContact O-N 2.91Å; A239-Q244 HydrophobicContact CB-CB 3.44Å; A239-Q244 VanDerWaalsContact CB-CB 3.44Å; A239-Q244 HydrophobicContact CB-CG 4.49Å; A239-I245 HydrophobicContact CB-CG1 3.86Å
240	D	95.8	Very high	97.4	Very high	152 Å²	152	53.4 Å²	53.4	81%	0.813	27%	0.268	S	S	*	.	S	Bend	trans	-73	-27.7	-177.2	-56.9	-34.3	0	0	0	112.5
241	Q	96.7	Very high	97.4	Very high	112 Å²	112	56.4 Å²	56.4	52%	0.523	29%	0.288	S	S	.	.	S	Bend	trans	-118	136.7	-179.3	-63.2	-61.2	-41.5	0	0	111.1	A239 I243 Q244 I245	A239-Q241 VanDerWaalsContact C-N 3.32Å; A239-Q241 PolarHBondContact O-N 2.91Å; Q241-I243 HydrophobicContact CB-CG2 4.16Å; Q241-I243 PolarHBondContact O-N 3.44Å; Q241-I243 VanDerWaalsContact O-N 3.1Å; Q241-Q244 HydrophobicContact CB-CG 4.36Å; Q241-Q244 WeakPolarHBondContact O-CB 3.42Å; Q241-Q244 PolarHBondContact O-N 3.14Å; Q241-I245 PolarHBondContact O-N 2.86Å
242	P	96.1	Very high	97.2	Very high	57 Å²	57	57.7 Å²	57.7	37%	0.37	30%	0.302	S	S	.	.	H	α-helix	trans	-52.5	-37	-179.8	-29.8	35.4	0	0	0	114.2	P201 Q244 I245 Y246	P201-P242 HydrophobicContact CB-CB 4.48Å; P201-P242 HydrophobicContact CG-CB 4.46Å; P242-Q244 VanDerWaalsContact C-N 3.28Å; P242-Q244 PolarHBondContact O-N 3.32Å; P242-I245 WeakPolarHBondContact O-CB 3.46Å; P242-I245 PolarHBondContact O-N 3.15Å; P242-I245 VanDerWaalsContact O-N 3.09Å; P242-Y246 HydrophobicContact CB-CE1 4.43Å; P242-Y246 HydrophobicContact CB-CE2 4.21Å; P242-Y246 VanDerWaalsContact O-CD1 3.3Å; P242-Y246 WeakPolarHBondContact O-CD1 3.41Å; P242-Y246 WeakPolarHBondContact O-CD2 3.32Å; P242-Y246 PolarHBondContact O-N 3.44Å
243	I	96.5	Very high	97.1	Very high	105 Å²	105	65.5 Å²	65.5	54%	0.538	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-37	179.3	-167.9	61.3	0	0	0	112.8	Q241 Y246 E247	Q241-I243 HydrophobicContact CB-CG2 4.16Å; Q241-I243 PolarHBondContact O-N 3.44Å; Q241-I243 VanDerWaalsContact O-N 3.1Å; I243-Y246 HydrophobicContact CD1-CD2 4.28Å; I243-Y246 WeakPolarHBondContact O-CB 3.32Å; I243-Y246 PolarHBondContact O-N 3.46Å; I243-E247 WeakPolarHBondContact O-CG 3.33Å; I243-E247 PolarHBondContact O-N 3.4Å; I243-E247 VanDerWaalsContact O-N 3.07Å
244	Q	97.9	Very high	97.2	Very high	82 Å²	82	66.4 Å²	66.4	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-32.9	178	-63.9	171.7	-31.4	0	0	111.2	A239 Q241 P242 Y246 K248	A239-Q244 HydrophobicContact CB-CB 3.44Å; A239-Q244 VanDerWaalsContact CB-CB 3.44Å; A239-Q244 HydrophobicContact CB-CG 4.49Å; Q241-Q244 HydrophobicContact CB-CG 4.36Å; Q241-Q244 WeakPolarHBondContact O-CB 3.42Å; Q241-Q244 PolarHBondContact O-N 3.14Å; P242-Q244 VanDerWaalsContact C-N 3.28Å; P242-Q244 PolarHBondContact O-N 3.32Å; Q244-Y246 VanDerWaalsContact C-N 3.32Å; Q244-K248 WeakPolarHBondContact O-CG 3.36Å; Q244-K248 PolarHBondContact O-N 3.46Å
245	I	98.1	Very high	97.2	Very high	4 Å²	4	70.6 Å²	70.6	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-44.5	172.5	-54.9	178.7	0	0	0	109.1	P201 E202 F237 A239 Q241 P242 E247 K248 I249	P201-I245 HydrophobicContact CB-CD1 4.24Å; E202-I245 HydrophobicContact CG-CD1 4.23Å; F237-I245 HydrophobicContact CB-CG2 4.19Å; A239-I245 HydrophobicContact CB-CG1 3.86Å; Q241-I245 PolarHBondContact O-N 2.86Å; P242-I245 WeakPolarHBondContact O-CB 3.46Å; P242-I245 PolarHBondContact O-N 3.15Å; P242-I245 VanDerWaalsContact O-N 3.09Å; I245-E247 PolarHBondContact O-N 2.79Å; I245-K248 WeakPolarHBondContact O-CB 3.5Å; I245-K248 PolarHBondContact O-N 2.91Å; I245-I249 HydrophobicContact CG2-CD1 3.8Å; I245-I249 HydrophobicContact CG2-CG1 4.42Å; I245-I249 WeakPolarHBondContact O-CG1 3.38Å; I245-I249 PolarHBondContact O-N 2.87Å
246	Y	98	Very high	97.2	Very high	58 Å²	58	72.4 Å²	72.4	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-44.4	179.7	-59.6	-17	0	0	0	112.8	P201 L204 I209 P242 I243 Q244 K248 I249 V250	P201-Y246 HydrophobicContact CB-CE1 3.9Å; L204-Y246 HydrophobicContact CD1-CE1 3.82Å; I209-Y246 HydrophobicContact CD1-CD1 3.82Å; I209-Y246 HydrophobicContact CD1-CG 4.23Å; I209-Y246 HydrophobicContact CG1-CD1 4.07Å; I209-Y246 HydrophobicContact CG1-CG 4.34Å; I209-Y246 HydrophobicContact CG2-CD2 4.48Å; I209-Y246 HydrophobicContact CG2-CG 4.06Å; P242-Y246 HydrophobicContact CB-CE1 4.43Å; P242-Y246 HydrophobicContact CB-CE2 4.21Å; P242-Y246 VanDerWaalsContact O-CD1 3.3Å; P242-Y246 WeakPolarHBondContact O-CD1 3.41Å; P242-Y246 WeakPolarHBondContact O-CD2 3.32Å; P242-Y246 PolarHBondContact O-N 3.44Å; I243-Y246 HydrophobicContact CD1-CD2 4.28Å; I243-Y246 WeakPolarHBondContact O-CB 3.32Å; I243-Y246 PolarHBondContact O-N 3.46Å; Q244-Y246 VanDerWaalsContact C-N 3.32Å; Y246-K248 VanDerWaalsContact C-N 3.3Å; Y246-K248 PolarHBondContact O-N 2.9Å; Y246-I249 PolarHBondContact O-N 3.04Å; Y246-V250 WeakPolarHBondContact O-CG2 3.4Å; Y246-V250 PolarHBondContact O-N 2.68Å
247	E	97.9	Very high	97.2	Very high	128 Å²	128	72.4 Å²	72.4	60%	0.598	37%	0.365	S	S	*	.	H	α-helix	trans	-57.3	-43.4	174.2	-71.9	173.3	177.1	0	0	111.9	I243 I245 S251	I243-E247 WeakPolarHBondContact O-CG 3.33Å; I243-E247 PolarHBondContact O-N 3.4Å; I243-E247 VanDerWaalsContact O-N 3.07Å; I245-E247 PolarHBondContact O-N 2.79Å; E247-S251 WeakPolarHBondContact O-CB 3.38Å; E247-S251 PolarHBondContact O-N 2.7Å
248	K	98.2	Very high	97.1	Very high	94 Å²	94	77.8 Å²	77.8	41%	0.409	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-45.8	177.9	-71.3	-179.9	-179.6	-174.2	0	111.9	F237 F238 Q244 I245 Y246 S251 G252	F237-K248 HydrophobicContact CB-CB 4.36Å; F237-K248 HydrophobicContact CD1-CB 3.98Å; F238-K248 PolarHBondContact O-NZ 2.91Å; Q244-K248 WeakPolarHBondContact O-CG 3.36Å; Q244-K248 PolarHBondContact O-N 3.46Å; I245-K248 WeakPolarHBondContact O-CB 3.5Å; I245-K248 PolarHBondContact O-N 2.91Å; Y246-K248 VanDerWaalsContact C-N 3.3Å; Y246-K248 PolarHBondContact O-N 2.9Å; K248-S251 PolarHBondContact O-N 3.25Å; K248-S251 PolarHBondContact O-OG 3.46Å; K248-G252 PolarHBondContact O-N 2.97Å
249	I	98.3	Very high	97.2	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-58.7	-50.7	177.9	-72.5	166.7	0	0	0	110.6	P201 P206 I209 W221 F237 I245 Y246 S251 G252	P201-I249 WeakPolarHBondContact O-CD1 3.38Å; P206-I249 HydrophobicContact CB-CG2 4.25Å; P206-I249 HydrophobicContact CG-CG2 3.74Å; I209-I249 HydrophobicContact CD1-CB 3.81Å; I209-I249 HydrophobicContact CD1-CD1 3.81Å; I209-I249 HydrophobicContact CD1-CG1 4.42Å; I209-I249 HydrophobicContact CD1-CG2 3.51Å; W221-I249 HydrophobicContact CH2-CG2 4.32Å; W221-I249 HydrophobicContact CZ2-CG2 3.73Å; F237-I249 HydrophobicContact CB-CD1 4.49Å; F237-I249 HydrophobicContact CB-CG1 3.83Å; F237-I249 HydrophobicContact CD1-CG1 4.29Å; F237-I249 HydrophobicContact CD2-CD1 4.45Å; F237-I249 HydrophobicContact CD2-CG1 3.54Å; F237-I249 HydrophobicContact CE2-CG1 4.12Å; F237-I249 HydrophobicContact CG-CG1 3.62Å; I245-I249 HydrophobicContact CG2-CD1 3.8Å; I245-I249 HydrophobicContact CG2-CG1 4.42Å; I245-I249 WeakPolarHBondContact O-CG1 3.38Å; I245-I249 PolarHBondContact O-N 2.87Å; Y246-I249 PolarHBondContact O-N 3.04Å; I249-S251 VanDerWaalsContact C-N 3.26Å; I249-S251 PolarHBondContact O-N 3.48Å; I249-G252 PolarHBondContact O-N 2.77Å; I249-G252 VanDerWaalsContact O-N 3.07Å
250	V	97.6	Very high	97.3	Very high	52 Å²	52	75.5 Å²	75.5	32%	0.315	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-31.8	-178.4	173.8	0	0	0	0	111.6	I209 L210 Y246 G252	I209-V250 HydrophobicContact CB-CG2 4.36Å; I209-V250 HydrophobicContact CG2-CG2 3.9Å; L210-V250 HydrophobicContact CD1-CG1 4.37Å; L210-V250 HydrophobicContact CD2-CG1 4.11Å; L210-V250 HydrophobicContact CD2-CG2 4.13Å; L210-V250 HydrophobicContact CG-CG2 4.12Å; Y246-V250 WeakPolarHBondContact O-CG2 3.4Å; Y246-V250 PolarHBondContact O-N 2.68Å; V250-G252 PolarHBondContact O-N 2.86Å
251	S	96.8	Very high	97.4	Very high	62 Å²	62	69.8 Å²	69.8	43%	0.434	36%	0.361	S	S	.	.	H	α-helix	trans	-64.6	-23.1	175.5	83.2	0	0	0	0	113.8	E247 K248 I249 K253	E247-S251 WeakPolarHBondContact O-CB 3.38Å; E247-S251 PolarHBondContact O-N 2.7Å; K248-S251 PolarHBondContact O-N 3.25Å; K248-S251 PolarHBondContact O-OG 3.46Å; I249-S251 VanDerWaalsContact C-N 3.26Å; I249-S251 PolarHBondContact O-N 3.48Å; S251-K253 PolarHBondContact O-N 3.44Å; S251-K253 VanDerWaalsContact O-N 3.16Å; S251-K253 PolarHBondContact OG-N 2.9Å
252	G	94.1	Very high	97.5	Very high	29 Å²	29	70.3 Å²	70.3	30%	0.299	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	6.9	-176.9	0	0	0	0	0	115.2	K248 I249 V250 V254	K248-G252 PolarHBondContact O-N 2.97Å; I249-G252 PolarHBondContact O-N 2.77Å; I249-G252 VanDerWaalsContact O-N 3.07Å; V250-G252 PolarHBondContact O-N 2.86Å; G252-V254 PolarHBondContact O-N 3.21Å
253	K	95.6	Very high	97.6	Very high	172 Å²	172	71.7 Å²	71.7	75%	0.748	37%	0.369	S	S	*	.			trans	-85.1	94.6	-176.2	-67.5	179	-177.4	175.4	0	111.2	S251	S251-K253 PolarHBondContact O-N 3.44Å; S251-K253 VanDerWaalsContact O-N 3.16Å; S251-K253 PolarHBondContact OG-N 2.9Å
254	V	97.5	Very high	97.7	Very high	29 Å²	29	66.7 Å²	66.7	18%	0.176	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-93.7	129.4	175.6	-174.9	0	0	0	0	110.9	Y228 P236 F237 G252 F256 L272	Y228-V254 HydrophobicContact CD2-CG1 4.21Å; Y228-V254 HydrophobicContact CE2-CG1 3.84Å; P236-V254 HydrophobicContact CB-CG1 4.13Å; F237-V254 HydrophobicContact CE1-CG2 3.79Å; F237-V254 HydrophobicContact CE2-CG2 4.42Å; F237-V254 HydrophobicContact CZ-CG2 3.46Å; F237-V254 VanDerWaalsContact CZ-CG2 3.46Å; G252-V254 PolarHBondContact O-N 3.21Å; V254-F256 HydrophobicContact CB-CE1 4.46Å; V254-F256 HydrophobicContact CB-CE2 4.36Å; V254-F256 HydrophobicContact CB-CZ 4.03Å; V254-F256 HydrophobicContact CG1-CD1 4.13Å; V254-F256 HydrophobicContact CG1-CE1 3.61Å; V254-F256 HydrophobicContact CG1-CE2 4.24Å; V254-F256 HydrophobicContact CG1-CZ 3.68Å; V254-L272 HydrophobicContact CG1-CD1 4.3Å; V254-L272 HydrophobicContact CG2-CB 4.35Å; V254-L272 HydrophobicContact CG2-CD1 4.02Å
255	K	97.4	Very high	97.8	Very high	180 Å²	180	64.9 Å²	64.9	78%	0.783	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-97.2	129.6	168.8	-68.1	-176.5	179.9	179.6	0	109.4	Y228	Y228-K255 WeakPolarHBondContact CE2-O 3.48Å; Y228-K255 PolarHBondContact OH-O 2.88Å
256	F	98.3	Very high	97.8	Very high	52 Å²	52	68.2 Å²	68.2	23%	0.228	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-101.9	138	179.7	-61	-73.5	0	0	0	111.3	Y228 V254 F260 K265 L268 K269	Y228-F256 HydrophobicContact CD2-CD1 4.23Å; Y228-F256 HydrophobicContact CD2-CE1 4.29Å; Y228-F256 AromaticContact CE2-CD1 3.98Å; Y228-F256 HydrophobicContact CE2-CD1 3.98Å; Y228-F256 HydrophobicContact CE2-CE1 4.35Å; V254-F256 HydrophobicContact CB-CE1 4.46Å; V254-F256 HydrophobicContact CB-CE2 4.36Å; V254-F256 HydrophobicContact CB-CZ 4.03Å; V254-F256 HydrophobicContact CG1-CD1 4.13Å; V254-F256 HydrophobicContact CG1-CE1 3.61Å; V254-F256 HydrophobicContact CG1-CE2 4.24Å; V254-F256 HydrophobicContact CG1-CZ 3.68Å; F256-F260 HydrophobicContact CB-CD2 4.39Å; F256-F260 HydrophobicContact CD1-CD2 4.01Å; F256-F260 HydrophobicContact CD1-CE2 4.27Å; F256-K265 HydrophobicContact CB-CD 4.28Å; F256-K265 HydrophobicContact CB-CG 4.02Å; F256-K265 HydrophobicContact CD1-CG 4.28Å; F256-K265 HydrophobicContact CD2-CG 4.34Å; F256-K265 HydrophobicContact CG-CG 3.95Å; F256-L268 HydrophobicContact CD1-CD1 4.19Å; F256-L268 HydrophobicContact CE1-CB 3.71Å; F256-L268 HydrophobicContact CE1-CD1 3.88Å; F256-L268 HydrophobicContact CE1-CG 4.47Å; F256-L268 HydrophobicContact CZ-CB 4.22Å; F256-K269 HydrophobicContact CE2-CG 3.98Å; F256-K269 HydrophobicContact CZ-CG 3.93Å
257	P	98.4	Very high	97.9	Very high	13 Å²	13	65.4 Å²	65.4	8%	0.084	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-56.7	148.8	169.2	-23.5	33.6	0	0	0	112.2	A232 H259 F260 K265	A232-P257 HydrophobicContact CB-CG 4.06Å; P257-H259 WeakPolarHBondContact CB-CE1 3.44Å; P257-H259 WeakPolarHBondContact CB-ND1 3.43Å; P257-H259 PolarHBondContact O-N 3.26Å; P257-F260 HydrophobicContact CB-CD1 3.93Å; P257-F260 HydrophobicContact CB-CE1 4.11Å; P257-F260 HydrophobicContact CB-CG 4.45Å; P257-F260 HydrophobicContact CG-CD1 3.95Å; P257-F260 HydrophobicContact CG-CE1 3.67Å; P257-F260 HydrophobicContact CG-CE2 4.4Å; P257-F260 HydrophobicContact CG-CG 4.44Å; P257-F260 HydrophobicContact CG-CZ 3.93Å; P257-F260 PolarHBondContact O-N 2.88Å; P257-K265 WeakPolarHBondContact O-CE 3.45Å
258	S	97.6	Very high	97.9	Very high	116 Å²	116	59.3 Å²	59.3	81%	0.811	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-34.4	179.8	53.3	0	0	0	0	112	F260	S258-F260 VanDerWaalsContact C-N 3.25Å; S258-F260 PolarHBondContact O-N 2.92Å
259	H	97.7	Very high	97.9	Very high	82 Å²	82	60.5 Å²	60.5	38%	0.38	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.2	-179.6	66.2	-95.6	0	0	0	115.1	R136 A231 P257	R136-H259 PolarHBondContact NH1-CD2 2.8Å; R136-H259 PolarHBondContact NH1-NE2 3.29Å; R136-H259 VanDerWaalsContact NH1-NE2 3.16Å; A231-H259 PolarHBondContact O-NE2 2.82Å; P257-H259 WeakPolarHBondContact CB-CE1 3.44Å; P257-H259 WeakPolarHBondContact CB-ND1 3.43Å; P257-H259 PolarHBondContact O-N 3.26Å
260	F	98.6	Very high	97.9	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.026	33%	0.327	C	S	.	.	S	Bend	trans	-72	133.3	174.5	-81.6	20.5	0	0	0	110.5	Y228 A231 A232 F256 P257 S258 L264 K265 L268	Y228-F260 AromaticContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CZ 4.48Å; Y228-F260 HydrophobicContact CE2-CE2 4.2Å; Y228-F260 HydrophobicContact CG-CE2 4.35Å; A231-F260 HydrophobicContact CB-CD1 4.49Å; A231-F260 HydrophobicContact CB-CE1 3.62Å; A231-F260 HydrophobicContact CB-CZ 3.64Å; A232-F260 HydrophobicContact CB-CE1 4.14Å; A232-F260 HydrophobicContact CB-CZ 3.84Å; F256-F260 HydrophobicContact CB-CD2 4.39Å; F256-F260 HydrophobicContact CD1-CD2 4.01Å; F256-F260 HydrophobicContact CD1-CE2 4.27Å; P257-F260 HydrophobicContact CB-CD1 3.93Å; P257-F260 HydrophobicContact CB-CE1 4.11Å; P257-F260 HydrophobicContact CB-CG 4.45Å; P257-F260 HydrophobicContact CG-CD1 3.95Å; P257-F260 HydrophobicContact CG-CE1 3.67Å; P257-F260 HydrophobicContact CG-CE2 4.4Å; P257-F260 HydrophobicContact CG-CG 4.44Å; P257-F260 HydrophobicContact CG-CZ 3.93Å; P257-F260 PolarHBondContact O-N 2.88Å; S258-F260 VanDerWaalsContact C-N 3.25Å; S258-F260 PolarHBondContact O-N 2.92Å; F260-L264 HydrophobicContact CB-CD2 4.12Å; F260-L264 HydrophobicContact CD1-CD2 3.88Å; F260-L264 HydrophobicContact CD2-CD2 3.57Å; F260-L264 HydrophobicContact CD2-CG 3.86Å; F260-L264 HydrophobicContact CE1-CD2 4.13Å; F260-L264 HydrophobicContact CE2-CD2 3.85Å; F260-L264 HydrophobicContact CE2-CG 4.26Å; F260-L264 HydrophobicContact CG-CD2 3.58Å; F260-L264 HydrophobicContact CG-CG 4.22Å; F260-L264 HydrophobicContact CZ-CD2 4.11Å; F260-K265 HydrophobicContact CB-CD 4.36Å; F260-K265 HydrophobicContact CB-CG 3.92Å; F260-K265 WeakPolarHBondContact O-CE 3.45Å; F260-K265 PolarHBondContact O-NZ 3.17Å; F260-L268 HydrophobicContact CD2-CD1 3.97Å; F260-L268 HydrophobicContact CE2-CD1 3.59Å
261	S	98.6	Very high	98	Very high	33 Å²	33	59.7 Å²	59.7	23%	0.231	31%	0.312	C	S	.	.			trans	-60.2	158.4	171.1	68.9	0	0	0	0	111.8	E139 E263 L264 K265	E139-S261 VanDerWaalsContact CD-OG 3.3Å; E139-S261 WeakPolarHBondContact OE1-CB 3.36Å; E139-S261 PolarHBondContact OE1-N 2.68Å; E139-S261 PolarHBondContact OE1-OG 2.91Å; E139-S261 WeakPolarHBondContact OE2-CB 3.44Å; E139-S261 PolarHBondContact OE2-OG 2.99Å; S261-E263 VanDerWaalsContact C-N 3.27Å; S261-E263 PolarHBondContact O-N 3Å; S261-L264 PolarHBondContact O-N 3.29Å; S261-L264 VanDerWaalsContact OG-CB 3.25Å; S261-L264 WeakPolarHBondContact OG-CB 3.46Å; S261-L264 PolarHBondContact OG-N 3.36Å; S261-K265 WeakPolarHBondContact O-CG 3.48Å; S261-K265 PolarHBondContact O-N 2.77Å
262	N	98.6	Very high	98.1	Very high	123 Å²	123	57.2 Å²	57.2	66%	0.658	29%	0.294	S	S	*	.	H	α-helix	trans	-65.4	-36.9	176.8	-72	-30.7	0	0	0	110.9	K265 D266	N262-K265 PolarHBondContact O-N 3.09Å; N262-D266 WeakPolarHBondContact O-CB 3.26Å; N262-D266 PolarHBondContact O-N 2.88Å
263	E	98.6	Very high	98.3	Very high	85 Å²	85	58.4 Å²	58.4	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-42.2	175.3	-65.1	73.4	-164.3	0	0	111.4	S261 D266 L267 H293 K294 W295	S261-E263 VanDerWaalsContact C-N 3.27Å; S261-E263 PolarHBondContact O-N 3Å; E263-D266 PolarHBondContact O-N 2.95Å; E263-L267 PolarHBondContact O-N 3.04Å; E263-H293 PolarHBondContact O-CE1 3.48Å; E263-K294 HydrophobicContact CG-CB 3.95Å; E263-W295 HydrophobicContact CB-CB 3.99Å; E263-W295 HydrophobicContact CB-CG 4.42Å
264	L	98.8	Very high	98.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-47	176.2	178.1	55.4	0	0	0	111.3	E139 I227 A231 F260 S261 D266 L267 L268 W295	E139-L264 HydrophobicContact CG-CD2 3.89Å; I227-L264 HydrophobicContact CG2-CD1 3.52Å; A231-L264 HydrophobicContact CB-CD2 3.85Å; F260-L264 HydrophobicContact CB-CD2 4.12Å; F260-L264 HydrophobicContact CD1-CD2 3.88Å; F260-L264 HydrophobicContact CD2-CD2 3.57Å; F260-L264 HydrophobicContact CD2-CG 3.86Å; F260-L264 HydrophobicContact CE1-CD2 4.13Å; F260-L264 HydrophobicContact CE2-CD2 3.85Å; F260-L264 HydrophobicContact CE2-CG 4.26Å; F260-L264 HydrophobicContact CG-CD2 3.58Å; F260-L264 HydrophobicContact CG-CG 4.22Å; F260-L264 HydrophobicContact CZ-CD2 4.11Å; S261-L264 PolarHBondContact O-N 3.29Å; S261-L264 VanDerWaalsContact OG-CB 3.25Å; S261-L264 WeakPolarHBondContact OG-CB 3.46Å; S261-L264 PolarHBondContact OG-N 3.36Å; L264-D266 VanDerWaalsContact C-N 3.28Å; L264-D266 PolarHBondContact O-N 3.02Å; L264-L267 PolarHBondContact O-N 3.05Å; L264-L268 HydrophobicContact CD1-CD1 3.77Å; L264-L268 HydrophobicContact CD1-CG 3.91Å; L264-L268 HydrophobicContact CG-CD1 3.88Å; L264-L268 HydrophobicContact CG-CG 4.42Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.32Å; L264-L268 PolarHBondContact O-N 3.25Å; L264-W295 HydrophobicContact CD1-CD2 4.37Å; L264-W295 HydrophobicContact CD1-CZ2 3.93Å
265	K	98.8	Very high	98.4	Very high	44 Å²	44	54 Å²	54	19%	0.191	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-42.1	177.3	-70.6	170.7	-174.7	158.1	0	111.4	F256 P257 F260 S261 N262 K269	F256-K265 HydrophobicContact CB-CD 4.28Å; F256-K265 HydrophobicContact CB-CG 4.02Å; F256-K265 HydrophobicContact CD1-CG 4.28Å; F256-K265 HydrophobicContact CD2-CG 4.34Å; F256-K265 HydrophobicContact CG-CG 3.95Å; P257-K265 WeakPolarHBondContact O-CE 3.45Å; F260-K265 HydrophobicContact CB-CD 4.36Å; F260-K265 HydrophobicContact CB-CG 3.92Å; F260-K265 WeakPolarHBondContact O-CE 3.45Å; F260-K265 PolarHBondContact O-NZ 3.17Å; S261-K265 WeakPolarHBondContact O-CG 3.48Å; S261-K265 PolarHBondContact O-N 2.77Å; N262-K265 PolarHBondContact O-N 3.09Å; K265-K269 WeakPolarHBondContact O-CB 3.21Å; K265-K269 VanDerWaalsContact O-CG 3.23Å; K265-K269 WeakPolarHBondContact O-CG 3.27Å; K265-K269 PolarHBondContact O-N 3.33Å
266	D	98.7	Very high	98.4	Very high	74 Å²	74	47.7 Å²	47.7	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-46.4	179	-167	50.4	0	0	0	111.8	N262 E263 L264 L268 K269 N270 H293	N262-D266 WeakPolarHBondContact O-CB 3.26Å; N262-D266 PolarHBondContact O-N 2.88Å; E263-D266 PolarHBondContact O-N 2.95Å; L264-D266 VanDerWaalsContact C-N 3.28Å; L264-D266 PolarHBondContact O-N 3.02Å; D266-L268 VanDerWaalsContact C-N 3.35Å; D266-L268 PolarHBondContact O-N 3.46Å; D266-K269 PolarHBondContact O-N 3.01Å; D266-N270 PolarHBondContact O-N 2.92Å; D266-N270 PolarHBondContact O-ND2 3.47Å; D266-H293 IonicContact OD2-CE1 3.99Å; D266-H293 IonicContact OD2-NE2 3.11Å; D266-H293 PolarHBondContact OD2-NE2 2.99Å; D266-H293 VanDerWaalsContact OD2-NE2 3.11Å
267	L	98.8	Very high	98.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-49.5	174.9	179.3	61	0	0	0	111.3	I227 E263 L264 K269 N270 L271 H293 W295 F296	I227-L267 HydrophobicContact CD1-CD2 4.13Å; E263-L267 PolarHBondContact O-N 3.04Å; L264-L267 PolarHBondContact O-N 3.05Å; L267-K269 PolarHBondContact O-N 2.91Å; L267-N270 PolarHBondContact O-N 2.84Å; L267-N270 VanDerWaalsContact O-N 3.09Å; L267-L271 HydrophobicContact CD1-CD1 3.98Å; L267-L271 HydrophobicContact CD1-CG 4.22Å; L267-L271 HydrophobicContact CD2-CD1 4.44Å; L267-L271 HydrophobicContact CG-CD1 3.89Å; L267-L271 HydrophobicContact CG-CG 4.47Å; L267-L271 PolarHBondContact O-N 3.08Å; L267-H293 HydrophobicContact CD1-CB 4.09Å; L267-W295 HydrophobicContact CB-CB 4.37Å; L267-W295 HydrophobicContact CD2-CB 4.13Å; L267-W295 HydrophobicContact CD2-CD2 3.97Å; L267-W295 HydrophobicContact CD2-CE3 3.47Å; L267-W295 VanDerWaalsContact CD2-CE3 3.47Å; L267-W295 HydrophobicContact CD2-CG 4.27Å; L267-W295 HydrophobicContact CD2-CZ3 4.1Å; L267-F296 HydrophobicContact CD2-CD2 4.24Å; L267-F296 HydrophobicContact CD2-CE2 3.71Å; L267-F296 HydrophobicContact CD2-CZ 4.47Å
268	L	98.9	Very high	98.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-37.6	-177.4	-71.1	174.5	0	0	0	112.3	G224 I227 Y228 F256 F260 L264 D266 N270 L271 L272	G224-L268 WeakPolarHBondContact O-CD2 3.31Å; I227-L268 HydrophobicContact CB-CD2 3.96Å; I227-L268 HydrophobicContact CG2-CD2 3.85Å; I227-L268 HydrophobicContact CG2-CG 4.47Å; Y228-L268 HydrophobicContact CD2-CD1 4.05Å; F256-L268 HydrophobicContact CD1-CD1 4.19Å; F256-L268 HydrophobicContact CE1-CB 3.71Å; F256-L268 HydrophobicContact CE1-CD1 3.88Å; F256-L268 HydrophobicContact CE1-CG 4.47Å; F256-L268 HydrophobicContact CZ-CB 4.22Å; F260-L268 HydrophobicContact CD2-CD1 3.97Å; F260-L268 HydrophobicContact CE2-CD1 3.59Å; L264-L268 HydrophobicContact CD1-CD1 3.77Å; L264-L268 HydrophobicContact CD1-CG 3.91Å; L264-L268 HydrophobicContact CG-CD1 3.88Å; L264-L268 HydrophobicContact CG-CG 4.42Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.32Å; L264-L268 PolarHBondContact O-N 3.25Å; D266-L268 VanDerWaalsContact C-N 3.35Å; D266-L268 PolarHBondContact O-N 3.46Å; L268-N270 PolarHBondContact O-N 3.34Å; L268-L271 PolarHBondContact O-N 3.44Å; L268-L272 WeakPolarHBondContact O-CA 3.45Å; L268-L272 VanDerWaalsContact O-CB 3.25Å; L268-L272 WeakPolarHBondContact O-CB 3.36Å; L268-L272 PolarHBondContact O-N 2.92Å
269	K	98.6	Very high	98.3	Very high	119 Å²	119	49.7 Å²	49.7	52%	0.517	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-31.4	173.6	-76.8	170.8	-178.4	178.9	0	112.8	F256 K265 D266 L267	F256-K269 HydrophobicContact CE2-CG 3.98Å; F256-K269 HydrophobicContact CZ-CG 3.93Å; K265-K269 WeakPolarHBondContact O-CB 3.21Å; K265-K269 VanDerWaalsContact O-CG 3.23Å; K265-K269 WeakPolarHBondContact O-CG 3.27Å; K265-K269 PolarHBondContact O-N 3.33Å; D266-K269 PolarHBondContact O-N 3.01Å; L267-K269 PolarHBondContact O-N 2.91Å
270	N	98.7	Very high	98.4	Very high	35 Å²	35	47.9 Å²	47.9	19%	0.187	24%	0.243	C	C	.	.	H	α-helix	trans	-85.9	-25.6	180	-75.1	-68.6	0	0	0	113.3	D266 L267 L268 R279 Y280	D266-N270 PolarHBondContact O-N 2.92Å; D266-N270 PolarHBondContact O-ND2 3.47Å; L267-N270 PolarHBondContact O-N 2.84Å; L267-N270 VanDerWaalsContact O-N 3.09Å; L268-N270 PolarHBondContact O-N 3.34Å; N270-R279 WeakPolarHBondContact O-CA 3.49Å; N270-Y280 HydrophobicContact CB-CD1 3.55Å; N270-Y280 HydrophobicContact CB-CD2 3.81Å; N270-Y280 HydrophobicContact CB-CE1 3.64Å; N270-Y280 HydrophobicContact CB-CE2 3.91Å; N270-Y280 HydrophobicContact CB-CG 3.63Å; N270-Y280 VanDerWaalsContact CG-CE1 3.49Å; N270-Y280 PolarHBondContact O-N 3.46Å; N270-Y280 WeakPolarHBondContact OD1-CE1 3.34Å
271	L	98.8	Very high	98.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-84.9	-48	173.2	-68.8	173.1	0	0	0	112.5	W220 L223 I227 L267 L268 Q273 R279 I290	W220-L271 HydrophobicContact CB-CD2 4.36Å; L223-L271 HydrophobicContact CD2-CD1 4.35Å; L223-L271 HydrophobicContact CG-CD1 4.32Å; I227-L271 HydrophobicContact CD1-CD1 4Å; L267-L271 HydrophobicContact CD1-CD1 3.98Å; L267-L271 HydrophobicContact CD1-CG 4.22Å; L267-L271 HydrophobicContact CD2-CD1 4.44Å; L267-L271 HydrophobicContact CG-CD1 3.89Å; L267-L271 HydrophobicContact CG-CG 4.47Å; L267-L271 PolarHBondContact O-N 3.08Å; L268-L271 PolarHBondContact O-N 3.44Å; L271-Q273 PolarHBondContact O-N 3.4Å; L271-R279 WeakPolarHBondContact O-CD 3.36Å; L271-R279 WeakPolarHBondContact O-CG 3.13Å; L271-I290 HydrophobicContact CD2-CD1 3.77Å; L271-I290 HydrophobicContact CD2-CG1 4.05Å
272	L	98.8	Very high	98.3	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.052	25%	0.246	C	C	.	.	S	Bend	trans	-80.2	43.1	176.4	-58.4	178.1	0	0	0	111.4	W221 V225 P236 V254 L268	W221-L272 HydrophobicContact CD2-CD2 4.07Å; W221-L272 HydrophobicContact CE3-CD2 4.4Å; W221-L272 HydrophobicContact CG-CD2 4.5Å; W221-L272 HydrophobicContact CH2-CB 4.41Å; W221-L272 HydrophobicContact CZ2-CD2 4.26Å; W221-L272 HydrophobicContact CZ3-CB 4.25Å; W221-L272 WeakPolarHBondContact CZ3-O 3.38Å; V225-L272 HydrophobicContact CG2-CD2 3.71Å; P236-L272 HydrophobicContact CB-CD1 4.29Å; P236-L272 HydrophobicContact CG-CD1 4.17Å; V254-L272 HydrophobicContact CG1-CD1 4.3Å; V254-L272 HydrophobicContact CG2-CB 4.35Å; V254-L272 HydrophobicContact CG2-CD1 4.02Å; L268-L272 WeakPolarHBondContact O-CA 3.45Å; L268-L272 VanDerWaalsContact O-CB 3.25Å; L268-L272 WeakPolarHBondContact O-CB 3.36Å; L268-L272 PolarHBondContact O-N 2.92Å
273	Q	98.4	Very high	98.2	Very high	54 Å²	54	45.4 Å²	45.4	25%	0.252	23%	0.229	S	C	.	.			trans	-95.8	118.3	-177.7	178.1	52.1	-100.4	0	0	110	L271 D275 K278 R279	L271-Q273 PolarHBondContact O-N 3.4Å; Q273-D275 VanDerWaalsContact C-N 3.32Å; Q273-D275 HydrophobicContact CG-CB 4.36Å; Q273-D275 VanDerWaalsContact CG-O 3.32Å; Q273-D275 WeakPolarHBondContact CG-O 3.25Å; Q273-D275 PolarHBondContact O-N 3.23Å; Q273-K278 HydrophobicContact CG-CB 3.68Å; Q273-R279 HydrophobicContact CB-CB 4.07Å; Q273-R279 HydrophobicContact CB-CG 4.23Å; Q273-R279 HydrophobicContact CG-CB 4.39Å; Q273-R279 VanDerWaalsContact O-CZ 3.27Å; Q273-R279 PolarHBondContact O-NE 2.91Å; Q273-R279 PolarHBondContact O-NH2 3.38Å
274	V	98	Very high	98.1	Very high	52 Å²	52	51.3 Å²	51.3	32%	0.315	25%	0.253	S	S	.	.	S	Bend	trans	-66	-37.3	179.5	-179.8	0	0	0	0	111.1	P206 W221 L276	P206-V274 HydrophobicContact CB-CG1 4.1Å; P206-V274 HydrophobicContact CG-CB 4.42Å; P206-V274 HydrophobicContact CG-CG1 4.22Å; P206-V274 HydrophobicContact CG-CG2 4.06Å; W221-V274 HydrophobicContact CH2-CG2 4.41Å; W221-V274 HydrophobicContact CZ3-CG2 4.32Å; V274-L276 PolarHBondContact O-N 3.35Å
275	D	97.2	Very high	98	Very high	55 Å²	55	56.3 Å²	56.3	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-76.8	105.7	177.2	-176.3	-8.7	0	0	0	111.5	Q273 T277 K278 R279	Q273-D275 VanDerWaalsContact C-N 3.32Å; Q273-D275 HydrophobicContact CG-CB 4.36Å; Q273-D275 VanDerWaalsContact CG-O 3.32Å; Q273-D275 WeakPolarHBondContact CG-O 3.25Å; Q273-D275 PolarHBondContact O-N 3.23Å; D275-T277 VanDerWaalsContact CG-OG1 3.24Å; D275-T277 PolarHBondContact O-N 3.46Å; D275-T277 WeakPolarHBondContact OD1-CB 3.13Å; D275-T277 PolarHBondContact OD1-N 2.89Å; D275-T277 PolarHBondContact OD1-OG1 2.62Å; D275-T277 PolarHBondContact OD2-OG1 3.45Å; D275-K278 HydrophobicContact CB-CB 4.43Å; D275-K278 HydrophobicContact CB-CD 4.22Å; D275-K278 HydrophobicContact CB-CG 4.48Å; D275-K278 PolarHBondContact O-N 3.05Å; D275-K278 WeakPolarHBondContact OD2-CD 3.39Å; D275-K278 WeakPolarHBondContact OD2-CE 3.28Å; D275-K278 IonicContact OD2-NZ 3.02Å; D275-K278 PolarHBondContact OD2-NZ 3Å; D275-R279 PolarHBondContact O-N 3.36Å
276	L	96.5	Very high	97.9	Very high	48 Å²	48	55.1 Å²	55.1	25%	0.251	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.5	179.3	-73.6	175.4	0	0	0	114.1	E207 A217 V274 K278 N282	E207-L276 WeakPolarHBondContact OE1-CD2 3.41Å; A217-L276 HydrophobicContact CB-CD2 3.79Å; V274-L276 PolarHBondContact O-N 3.35Å; L276-K278 PolarHBondContact O-N 3.32Å; L276-N282 PolarHBondContact O-ND2 3.47Å
277	T	96.8	Very high	97.8	Very high	106 Å²	106	52.9 Å²	52.9	65%	0.65	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.4	179.1	71.1	0	0	0	0	113.2	D275 L283	D275-T277 VanDerWaalsContact CG-OG1 3.24Å; D275-T277 PolarHBondContact O-N 3.46Å; D275-T277 WeakPolarHBondContact OD1-CB 3.13Å; D275-T277 PolarHBondContact OD1-N 2.89Å; D275-T277 PolarHBondContact OD1-OG1 2.62Å; D275-T277 PolarHBondContact OD2-OG1 3.45Å; T277-L283 WeakPolarHBondContact O-CD2 3.38Å
278	K	98.1	Very high	97.7	Very high	117 Å²	117	54.5 Å²	54.5	51%	0.509	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-9.1	-178.7	-64.3	174.7	-171.1	153.4	0	113	Q273 D275 L276 Y280	Q273-K278 HydrophobicContact CG-CB 3.68Å; D275-K278 HydrophobicContact CB-CB 4.43Å; D275-K278 HydrophobicContact CB-CD 4.22Å; D275-K278 HydrophobicContact CB-CG 4.48Å; D275-K278 PolarHBondContact O-N 3.05Å; D275-K278 WeakPolarHBondContact OD2-CD 3.39Å; D275-K278 WeakPolarHBondContact OD2-CE 3.28Å; D275-K278 IonicContact OD2-NZ 3.02Å; D275-K278 PolarHBondContact OD2-NZ 3Å; L276-K278 PolarHBondContact O-N 3.32Å; K278-Y280 PolarHBondContact O-N 2.9Å
279	R	98.7	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.			trans	-72.9	126.4	-177.2	-166.7	-179.2	-60.1	160.4	4.6	111.5	E207 A217 N270 L271 Q273 D275 N282 L283	E207-R279 IonicContact OE1-CZ 3.45Å; E207-R279 IonicContact OE1-NH1 2.85Å; E207-R279 PolarHBondContact OE1-NH1 3.24Å; E207-R279 IonicContact OE1-NH2 3.61Å; E207-R279 IonicContact OE2-CZ 2.78Å; E207-R279 IonicContact OE2-NH1 3.8Å; E207-R279 PolarHBondContact OE2-NH1 3.03Å; E207-R279 IonicContact OE2-NH2 3.63Å; E207-R279 PolarHBondContact OE2-NH2 2.96Å; A217-R279 PolarHBondContact O-NH1 3.01Å; N270-R279 WeakPolarHBondContact O-CA 3.49Å; L271-R279 WeakPolarHBondContact O-CD 3.36Å; L271-R279 WeakPolarHBondContact O-CG 3.13Å; Q273-R279 HydrophobicContact CB-CB 4.07Å; Q273-R279 HydrophobicContact CB-CG 4.23Å; Q273-R279 HydrophobicContact CG-CB 4.39Å; Q273-R279 VanDerWaalsContact O-CZ 3.27Å; Q273-R279 PolarHBondContact O-NE 2.91Å; Q273-R279 PolarHBondContact O-NH2 3.38Å; D275-R279 PolarHBondContact O-N 3.36Å; R279-N282 PolarHBondContact O-N 3.45Å; R279-N282 VanDerWaalsContact O-N 3.14Å; R279-L283 WeakPolarHBondContact O-CG 3.41Å
280	Y	98.7	Very high	97.7	Very high	45 Å²	45	50.1 Å²	50.1	18%	0.176	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	146.6	174.1	-85.7	24.4	0	0	0	111.6	N270 K278 N282 L283 D289 I290 H293	N270-Y280 HydrophobicContact CB-CD1 3.55Å; N270-Y280 HydrophobicContact CB-CD2 3.81Å; N270-Y280 HydrophobicContact CB-CE1 3.64Å; N270-Y280 HydrophobicContact CB-CE2 3.91Å; N270-Y280 HydrophobicContact CB-CG 3.63Å; N270-Y280 VanDerWaalsContact CG-CE1 3.49Å; N270-Y280 PolarHBondContact O-N 3.46Å; N270-Y280 WeakPolarHBondContact OD1-CE1 3.34Å; K278-Y280 PolarHBondContact O-N 2.9Å; Y280-N282 PolarHBondContact O-N 2.96Å; Y280-L283 HydrophobicContact CD1-CD1 3.95Å; Y280-L283 HydrophobicContact CE1-CD1 4.21Å; Y280-D289 HydrophobicContact CD1-CB 4.21Å; Y280-D289 HydrophobicContact CD2-CB 3.92Å; Y280-D289 HydrophobicContact CE1-CB 4.44Å; Y280-D289 HydrophobicContact CE2-CB 4.14Å; Y280-D289 WeakPolarHBondContact CE2-O 3.38Å; Y280-D289 HydrophobicContact CG-CB 3.95Å; Y280-I290 HydrophobicContact CD2-CG1 4.36Å; Y280-H293 AromaticContact CE2-CD2 3.88Å
281	G	98.2	Very high	97.6	Very high	6 Å²	6	49.5 Å²	49.5	6%	0.062	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-18.9	-171.6	0	0	0	0	0	114.3	W220 G286	W220-G281 PolarHBondContact NE1-O 2.89Å; G281-G286 WeakPolarHBondContact CA-O 3.26Å; G281-G286 PolarHBondContact N-O 3.48Å
282	N	97.8	Very high	97.5	Very high	47 Å²	47	53.4 Å²	53.4	25%	0.251	28%	0.281	S	S	.	.	S	Bend	trans	-110.5	-1.2	177.3	-165.5	56.4	0	0	0	113.8	N215 A217 L276 R279 Y280	N215-N282 PolarHBondContact ND2-OD1 3.43Å; A217-N282 HydrophobicContact CB-CB 3.84Å; L276-N282 PolarHBondContact O-ND2 3.47Å; R279-N282 PolarHBondContact O-N 3.45Å; R279-N282 VanDerWaalsContact O-N 3.14Å; Y280-N282 PolarHBondContact O-N 2.96Å
283	L	97.3	Very high	97.5	Very high	57 Å²	57	53.5 Å²	53.5	30%	0.298	28%	0.281	S	S	.	.	S	Bend	trans	-82.1	179.4	176.3	-49.7	-176.1	0	0	0	111.7	T277 R279 Y280 N285 G286 D289	T277-L283 WeakPolarHBondContact O-CD2 3.38Å; R279-L283 WeakPolarHBondContact O-CG 3.41Å; Y280-L283 HydrophobicContact CD1-CD1 3.95Å; Y280-L283 HydrophobicContact CE1-CD1 4.21Å; L283-N285 VanDerWaalsContact C-N 3.26Å; L283-N285 PolarHBondContact O-N 2.96Å; L283-G286 WeakPolarHBondContact O-CA 3.45Å; L283-G286 PolarHBondContact O-N 3.3Å; L283-D289 WeakPolarHBondContact CB-OD2 3.49Å
284	K	96.3	Very high	97.5	Very high	209 Å²	209	58.8 Å²	58.8	91%	0.909	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.8	-179.6	-172.8	178.2	178.4	-178.3	0	113.8	G286	K284-G286 VanDerWaalsContact C-N 3.32Å
285	N	95.5	Very high	97.5	Very high	105 Å²	105	56.5 Å²	56.5	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.8	178.2	-51.1	-40	0	0	0	112.8	L283 V287 A288 D289	L283-N285 VanDerWaalsContact C-N 3.26Å; L283-N285 PolarHBondContact O-N 2.96Å; N285-V287 PolarHBondContact O-N 2.75Å; N285-A288 HydrophobicContact CB-CB 4.24Å; N285-A288 VanDerWaalsContact O-CB 3.27Å; N285-A288 WeakPolarHBondContact O-CB 3.41Å; N285-A288 PolarHBondContact O-N 2.83Å; N285-A288 VanDerWaalsContact O-N 3.13Å; N285-D289 WeakPolarHBondContact CB-OD1 2.95Å; N285-D289 PolarHBondContact ND2-OD1 3.28Å
286	G	96.4	Very high	97.6	Very high	19 Å²	19	54 Å²	54	20%	0.196	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-130.1	178.4	0	0	0	0	0	112.9	G281 L283 K284 A288 D289	G281-G286 WeakPolarHBondContact CA-O 3.26Å; G281-G286 PolarHBondContact N-O 3.48Å; L283-G286 WeakPolarHBondContact O-CA 3.45Å; L283-G286 PolarHBondContact O-N 3.3Å; K284-G286 VanDerWaalsContact C-N 3.32Å; G286-A288 PolarHBondContact O-N 2.86Å; G286-D289 PolarHBondContact O-N 3.42Å
287	V	97.5	Very high	97.5	Very high	26 Å²	26	55 Å²	55	16%	0.158	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.5	-179.6	69.9	0	0	0	0	113.3	V150 E154 W220 N285 D289 I290 K291	V150-V287 HydrophobicContact CG1-CG2 3.77Å; E154-V287 HydrophobicContact CB-CG2 4.28Å; E154-V287 HydrophobicContact CG-CG1 4Å; E154-V287 WeakPolarHBondContact OE1-CG1 3.26Å; W220-V287 HydrophobicContact CH2-CB 4.23Å; W220-V287 HydrophobicContact CH2-CG2 3.55Å; W220-V287 HydrophobicContact CZ2-CB 4.12Å; W220-V287 HydrophobicContact CZ2-CG2 3.96Å; W220-V287 HydrophobicContact CZ3-CG2 4.37Å; N285-V287 PolarHBondContact O-N 2.75Å; V287-D289 PolarHBondContact O-N 2.86Å; V287-I290 WeakPolarHBondContact O-CB 3.18Å; V287-I290 PolarHBondContact O-N 3.24Å; V287-K291 HydrophobicContact CG1-CD 4.37Å; V287-K291 HydrophobicContact CG2-CD 4.02Å; V287-K291 HydrophobicContact CG2-CG 4.12Å; V287-K291 PolarHBondContact O-N 2.81Å
288	A	97	Very high	97.2	Very high	34 Å²	34	54.6 Å²	54.6	28%	0.281	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-27.2	179.4	0	0	0	0	0	112.5	N285 G286 I290 N292	N285-A288 HydrophobicContact CB-CB 4.24Å; N285-A288 VanDerWaalsContact O-CB 3.27Å; N285-A288 WeakPolarHBondContact O-CB 3.41Å; N285-A288 PolarHBondContact O-N 2.83Å; N285-A288 VanDerWaalsContact O-N 3.13Å; G286-A288 PolarHBondContact O-N 2.86Å; A288-I290 PolarHBondContact O-N 3.26Å; A288-N292 VanDerWaalsContact O-CB 3.24Å; A288-N292 WeakPolarHBondContact O-CB 3.37Å; A288-N292 PolarHBondContact O-N 2.77Å; A288-N292 PolarHBondContact O-ND2 3.37Å
289	D	98	Very high	97.1	Very high	28 Å²	28	50 Å²	50	15%	0.15	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-32.7	173.6	-66.4	-39.5	0	0	0	111.3	Y280 L283 N285 G286 V287	Y280-D289 HydrophobicContact CD1-CB 4.21Å; Y280-D289 HydrophobicContact CD2-CB 3.92Å; Y280-D289 HydrophobicContact CE1-CB 4.44Å; Y280-D289 HydrophobicContact CE2-CB 4.14Å; Y280-D289 WeakPolarHBondContact CE2-O 3.38Å; Y280-D289 HydrophobicContact CG-CB 3.95Å; L283-D289 WeakPolarHBondContact CB-OD2 3.49Å; N285-D289 WeakPolarHBondContact CB-OD1 2.95Å; N285-D289 PolarHBondContact ND2-OD1 3.28Å; G286-D289 PolarHBondContact O-N 3.42Å; V287-D289 PolarHBondContact O-N 2.86Å
290	I	98.6	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-78.2	-52.6	176	-55.8	172.1	0	0	0	109.9	V150 W220 L271 Y280 V287 A288 N292 H293 F296	V150-I290 HydrophobicContact CG1-CG2 4.46Å; V150-I290 HydrophobicContact CG2-CG2 3.81Å; W220-I290 HydrophobicContact CD2-CD1 3.59Å; W220-I290 HydrophobicContact CE3-CD1 3.23Å; W220-I290 HydrophobicContact CG-CD1 4.22Å; W220-I290 HydrophobicContact CH2-CD1 4.2Å; W220-I290 HydrophobicContact CZ2-CD1 4.49Å; W220-I290 HydrophobicContact CZ3-CD1 3.57Å; L271-I290 HydrophobicContact CD2-CD1 3.77Å; L271-I290 HydrophobicContact CD2-CG1 4.05Å; Y280-I290 HydrophobicContact CD2-CG1 4.36Å; V287-I290 WeakPolarHBondContact O-CB 3.18Å; V287-I290 PolarHBondContact O-N 3.24Å; A288-I290 PolarHBondContact O-N 3.26Å; I290-N292 VanDerWaalsContact C-N 3.25Å; I290-N292 PolarHBondContact O-N 2.82Å; I290-H293 VanDerWaalsContact O-CB 3.27Å; I290-H293 WeakPolarHBondContact O-CB 3.42Å; I290-H293 PolarHBondContact O-N 2.82Å; I290-H293 VanDerWaalsContact O-N 3.09Å; I290-F296 HydrophobicContact CG2-CD2 4.3Å; I290-F296 HydrophobicContact CG2-CE2 3.75Å; I290-F296 VanDerWaalsContact O-CD2 3.31Å; I290-F296 WeakPolarHBondContact O-CD2 3.08Å
291	K	97.9	Very high	96.7	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.096	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-30.3	-174.8	-69.5	175.4	78.5	167.4	0	113.5	V150 E154 V287 W301	V150-K291 HydrophobicContact CG1-CD 4.27Å; V150-K291 HydrophobicContact CG1-CG 3.74Å; E154-K291 IonicContact OE1-NZ 2.87Å; E154-K291 PolarHBondContact OE1-NZ 2.51Å; E154-K291 IonicContact OE2-NZ 3.89Å; E154-K291 PolarHBondContact OE2-NZ 2.76Å; V287-K291 HydrophobicContact CG1-CD 4.37Å; V287-K291 HydrophobicContact CG2-CD 4.02Å; V287-K291 HydrophobicContact CG2-CG 4.12Å; V287-K291 PolarHBondContact O-N 2.81Å; K291-W301 VanDerWaalsContact CA-CZ2 3.45Å; K291-W301 HydrophobicContact CB-CD2 4.45Å; K291-W301 HydrophobicContact CB-CH2 4.37Å; K291-W301 HydrophobicContact CB-CZ2 3.71Å; K291-W301 HydrophobicContact CD-CD2 4.38Å; K291-W301 HydrophobicContact CG-CD2 4.1Å; K291-W301 HydrophobicContact CG-CE3 4.27Å; K291-W301 HydrophobicContact CG-CH2 3.83Å; K291-W301 HydrophobicContact CG-CZ2 3.65Å; K291-W301 HydrophobicContact CG-CZ3 4.12Å; K291-W301 PolarHBondContact O-NE1 3.03Å
292	N	96.9	Very high	96.6	Very high	82 Å²	82	52.2 Å²	52.2	44%	0.439	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3	179.2	-68.9	-64.5	0	0	0	114.1	K7 A288 I290	K7-N292 PolarHBondContact NZ-OD1 3.07Å; A288-N292 VanDerWaalsContact O-CB 3.24Å; A288-N292 WeakPolarHBondContact O-CB 3.37Å; A288-N292 PolarHBondContact O-N 2.77Å; A288-N292 PolarHBondContact O-ND2 3.37Å; I290-N292 VanDerWaalsContact C-N 3.25Å; I290-N292 PolarHBondContact O-N 2.82Å
293	H	98.5	Very high	96.5	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.056	29%	0.286	C	S	.	.	S	Bend	trans	-60.4	144.5	178.5	-171.7	-91.4	0	0	0	111	E263 D266 L267 Y280 I290 W295 F296 G297	E263-H293 PolarHBondContact O-CE1 3.48Å; D266-H293 IonicContact OD2-CE1 3.99Å; D266-H293 IonicContact OD2-NE2 3.11Å; D266-H293 PolarHBondContact OD2-NE2 2.99Å; D266-H293 VanDerWaalsContact OD2-NE2 3.11Å; L267-H293 HydrophobicContact CD1-CB 4.09Å; Y280-H293 AromaticContact CE2-CD2 3.88Å; I290-H293 VanDerWaalsContact O-CB 3.27Å; I290-H293 WeakPolarHBondContact O-CB 3.42Å; I290-H293 PolarHBondContact O-N 2.82Å; I290-H293 VanDerWaalsContact O-N 3.09Å; H293-W295 WeakPolarHBondContact ND1-CB 3.29Å; H293-W295 PolarHBondContact ND1-N 3.22Å; H293-W295 VanDerWaalsContact ND1-N 3.11Å; H293-W295 PolarHBondContact O-N 3.36Å; H293-W295 VanDerWaalsContact O-N 3.12Å; H293-F296 PolarHBondContact O-N 2.86Å; H293-G297 PolarHBondContact O-N 3.45Å
294	K	98.2	Very high	96.4	Very high	165 Å²	165	48.1 Å²	48.1	72%	0.717	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-55.2	-35.2	-176.2	-70.1	-178.3	-179.8	176.4	0	113.2	E263 F296 G297	E263-K294 HydrophobicContact CG-CB 3.95Å; K294-F296 PolarHBondContact O-N 2.87Å; K294-G297 WeakPolarHBondContact O-CA 3.4Å; K294-G297 PolarHBondContact O-N 3.44Å
295	W	98.5	Very high	96.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.015	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.3	-30.7	176.6	-166.8	76.1	0	0	0	112.8	E139 R143 A146 I227 E263 L264 L267 H293	E139-W295 HydrophobicContact CB-CZ2 4.31Å; E139-W295 PolarHBondContact OE2-NE1 3.3Å; R143-W295 HydrophobicContact CB-CE3 4.32Å; R143-W295 HydrophobicContact CB-CH2 3.51Å; R143-W295 HydrophobicContact CB-CZ2 3.88Å; R143-W295 HydrophobicContact CB-CZ3 3.73Å; R143-W295 WeakPolarHBondContact CD-O 3.28Å; R143-W295 HydrophobicContact CG-CE3 4.07Å; R143-W295 HydrophobicContact CG-CH2 4.15Å; R143-W295 HydrophobicContact CG-CZ3 3.83Å; R143-W295 PolarHBondContact NE-O 2.68Å; A146-W295 HydrophobicContact CB-CH2 4.42Å; A146-W295 HydrophobicContact CB-CZ3 4.12Å; I227-W295 HydrophobicContact CD1-CZ3 4.41Å; I227-W295 HydrophobicContact CG2-CH2 4.02Å; I227-W295 HydrophobicContact CG2-CZ2 4.46Å; I227-W295 HydrophobicContact CG2-CZ3 4.44Å; E263-W295 HydrophobicContact CB-CB 3.99Å; E263-W295 HydrophobicContact CB-CG 4.42Å; L264-W295 HydrophobicContact CD1-CD2 4.37Å; L264-W295 HydrophobicContact CD1-CZ2 3.93Å; L267-W295 HydrophobicContact CB-CB 4.37Å; L267-W295 HydrophobicContact CD2-CB 4.13Å; L267-W295 HydrophobicContact CD2-CD2 3.97Å; L267-W295 HydrophobicContact CD2-CE3 3.47Å; L267-W295 VanDerWaalsContact CD2-CE3 3.47Å; L267-W295 HydrophobicContact CD2-CG 4.27Å; L267-W295 HydrophobicContact CD2-CZ3 4.1Å; H293-W295 WeakPolarHBondContact ND1-CB 3.29Å; H293-W295 PolarHBondContact ND1-N 3.22Å; H293-W295 VanDerWaalsContact ND1-N 3.11Å; H293-W295 PolarHBondContact O-N 3.36Å; H293-W295 VanDerWaalsContact O-N 3.12Å
296	F	97.9	Very high	96.4	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.013	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.9	9.4	172.7	-73.5	-73.8	0	0	0	113.2	R143 A146 A147 V150 L267 I290 H293 K294 S298 T299 W301	R143-F296 HydrophobicContact CG-CD1 3.73Å; R143-F296 HydrophobicContact CG-CE1 3.92Å; A146-F296 HydrophobicContact CB-CE1 4.13Å; A146-F296 HydrophobicContact CB-CZ 3.91Å; A147-F296 HydrophobicContact CB-CE1 4.17Å; V150-F296 HydrophobicContact CG2-CZ 4.17Å; L267-F296 HydrophobicContact CD2-CD2 4.24Å; L267-F296 HydrophobicContact CD2-CE2 3.71Å; L267-F296 HydrophobicContact CD2-CZ 4.47Å; I290-F296 HydrophobicContact CG2-CD2 4.3Å; I290-F296 HydrophobicContact CG2-CE2 3.75Å; I290-F296 VanDerWaalsContact O-CD2 3.31Å; I290-F296 WeakPolarHBondContact O-CD2 3.08Å; H293-F296 PolarHBondContact O-N 2.86Å; K294-F296 PolarHBondContact O-N 2.87Å; F296-S298 PolarHBondContact O-N 3.47Å; F296-T299 WeakPolarHBondContact CA-OG1 3.41Å; F296-T299 HydrophobicContact CD1-CG2 4.44Å; F296-T299 WeakPolarHBondContact CD1-OG1 3.34Å; F296-T299 WeakPolarHBondContact O-CB 3.46Å; F296-T299 PolarHBondContact O-N 2.97Å; F296-T299 PolarHBondContact O-OG1 3.33Å; F296-W301 HydrophobicContact CB-CZ2 3.79Å; F296-W301 AromaticContact CD1-CH2 3.68Å; F296-W301 HydrophobicContact CD1-CH2 3.68Å; F296-W301 AromaticContact CD1-CZ2 3.77Å; F296-W301 HydrophobicContact CD1-CZ2 3.77Å; F296-W301 HydrophobicContact CD2-CH2 4.42Å; F296-W301 HydrophobicContact CD2-CZ2 4.35Å; F296-W301 AromaticContact CE1-CH2 3.88Å; F296-W301 HydrophobicContact CE1-CH2 3.88Å; F296-W301 HydrophobicContact CE1-CZ2 4.43Å; F296-W301 AromaticContact CG-CH2 3.97Å; F296-W301 HydrophobicContact CG-CH2 3.97Å; F296-W301 AromaticContact CG-CZ2 3.73Å; F296-W301 HydrophobicContact CG-CZ2 3.73Å; F296-W301 HydrophobicContact CZ-CH2 4.32Å
297	G	94.6	Very high	96.3	Very high	68 Å²	68	41.5 Å²	41.5	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.5	-170.9	0	0	0	0	0	115.4	H293 K294	H293-G297 PolarHBondContact O-N 3.45Å; K294-G297 WeakPolarHBondContact O-CA 3.4Å; K294-G297 PolarHBondContact O-N 3.44Å
298	S	91.8	Very high	96	Very high	98 Å²	98	47.1 Å²	47.1	69%	0.685	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	5.7	175.9	68.2	0	0	0	0	114.2	F296	F296-S298 PolarHBondContact O-N 3.47Å
299	T	94.4	Very high	95.6	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.129	26%	0.258	C	S	.	.			trans	-88.6	121.3	-172.4	-45.7	0	0	0	0	110.1	A147 F296 W301 I304	A147-T299 HydrophobicContact CB-CG2 3.79Å; F296-T299 WeakPolarHBondContact CA-OG1 3.41Å; F296-T299 HydrophobicContact CD1-CG2 4.44Å; F296-T299 WeakPolarHBondContact CD1-OG1 3.34Å; F296-T299 WeakPolarHBondContact O-CB 3.46Å; F296-T299 PolarHBondContact O-N 2.97Å; F296-T299 PolarHBondContact O-OG1 3.33Å; T299-W301 HydrophobicContact CG2-CD2 4.12Å; T299-W301 HydrophobicContact CG2-CE3 4.34Å; T299-W301 HydrophobicContact CG2-CH2 4.43Å; T299-W301 HydrophobicContact CG2-CZ2 4.18Å; T299-I304 HydrophobicContact CG2-CG1 4.24Å
300	D	93.7	Very high	94.5	Very high	62 Å²	62	51.3 Å²	51.3	33%	0.332	28%	0.277	S	S	.	.			trans	-90.5	100.5	165.8	-171.4	-31.5	0	0	0	109.6	I302 A303 I304	D300-I302 VanDerWaalsContact C-N 3.32Å; D300-I302 PolarHBondContact O-N 3.42Å; D300-I302 PolarHBondContact OD1-N 3.45Å; D300-A303 HydrophobicContact CB-CB 3.8Å; D300-A303 PolarHBondContact O-N 3.26Å; D300-A303 PolarHBondContact OD1-N 3.02Å; D300-I304 VanDerWaalsContact O-CG1 3.31Å; D300-I304 WeakPolarHBondContact O-CG1 3.49Å; D300-I304 PolarHBondContact O-N 2.81Å
301	W	96.1	Very high	93.1	Very high	9 Å²	9	51.4 Å²	51.4	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-35.6	-176.5	-63	99	0	0	0	113.1	Q10 F14 A147 V150 L151 K291 F296 T299 Y305	Q10-W301 VanDerWaalsContact OE1-CD1 3.25Å; F14-W301 HydrophobicContact CE2-CB 3.68Å; F14-W301 HydrophobicContact CZ-CB 4.13Å; A147-W301 HydrophobicContact CB-CE3 4.39Å; A147-W301 HydrophobicContact CB-CH2 4.19Å; A147-W301 HydrophobicContact CB-CZ3 3.79Å; A147-W301 WeakPolarHBondContact O-CZ3 3.37Å; V150-W301 HydrophobicContact CB-CH2 4.07Å; V150-W301 HydrophobicContact CB-CZ3 3.84Å; V150-W301 HydrophobicContact CG1-CH2 3.8Å; V150-W301 HydrophobicContact CG1-CZ3 3.67Å; V150-W301 HydrophobicContact CG2-CH2 4.39Å; L151-W301 HydrophobicContact CD1-CE3 4.17Å; L151-W301 HydrophobicContact CD2-CE3 3.83Å; L151-W301 HydrophobicContact CG-CE3 3.83Å; L151-W301 HydrophobicContact CG-CZ3 4.21Å; K291-W301 VanDerWaalsContact CA-CZ2 3.45Å; K291-W301 HydrophobicContact CB-CD2 4.45Å; K291-W301 HydrophobicContact CB-CH2 4.37Å; K291-W301 HydrophobicContact CB-CZ2 3.71Å; K291-W301 HydrophobicContact CD-CD2 4.38Å; K291-W301 HydrophobicContact CG-CD2 4.1Å; K291-W301 HydrophobicContact CG-CE3 4.27Å; K291-W301 HydrophobicContact CG-CH2 3.83Å; K291-W301 HydrophobicContact CG-CZ2 3.65Å; K291-W301 HydrophobicContact CG-CZ3 4.12Å; K291-W301 PolarHBondContact O-NE1 3.03Å; F296-W301 HydrophobicContact CB-CZ2 3.79Å; F296-W301 AromaticContact CD1-CH2 3.68Å; F296-W301 HydrophobicContact CD1-CH2 3.68Å; F296-W301 AromaticContact CD1-CZ2 3.77Å; F296-W301 HydrophobicContact CD1-CZ2 3.77Å; F296-W301 HydrophobicContact CD2-CH2 4.42Å; F296-W301 HydrophobicContact CD2-CZ2 4.35Å; F296-W301 AromaticContact CE1-CH2 3.88Å; F296-W301 HydrophobicContact CE1-CH2 3.88Å; F296-W301 HydrophobicContact CE1-CZ2 4.43Å; F296-W301 AromaticContact CG-CH2 3.97Å; F296-W301 HydrophobicContact CG-CH2 3.97Å; F296-W301 AromaticContact CG-CZ2 3.73Å; F296-W301 HydrophobicContact CG-CZ2 3.73Å; F296-W301 HydrophobicContact CZ-CH2 4.32Å; T299-W301 HydrophobicContact CG2-CD2 4.12Å; T299-W301 HydrophobicContact CG2-CE3 4.34Å; T299-W301 HydrophobicContact CG2-CH2 4.43Å; T299-W301 HydrophobicContact CG2-CZ2 4.18Å; W301-Y305 WeakPolarHBondContact O-CB 3.22Å; W301-Y305 PolarHBondContact O-N 3.08Å
302	I	96.1	Very high	91.2	Very high	25 Å²	25	52 Å²	52	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-71.4	-44	177.9	-69.2	174.5	0	0	0	109.5	V9 Q10 F13 F14 D300 I304 Y305 Q306	V9-I302 HydrophobicContact CG1-CD1 4.48Å; Q10-I302 HydrophobicContact CB-CD1 4.33Å; Q10-I302 HydrophobicContact CB-CG1 4.49Å; Q10-I302 HydrophobicContact CG-CD1 3.74Å; Q10-I302 HydrophobicContact CG-CG1 3.95Å; F13-I302 HydrophobicContact CB-CD1 4.06Å; F13-I302 HydrophobicContact CD1-CD1 4.26Å; F13-I302 HydrophobicContact CD1-CG1 3.9Å; F13-I302 HydrophobicContact CE1-CG1 4.39Å; F13-I302 HydrophobicContact CG-CD1 4.07Å; F13-I302 HydrophobicContact CG-CG1 4.24Å; F14-I302 HydrophobicContact CE2-CG1 4.15Å; D300-I302 VanDerWaalsContact C-N 3.32Å; D300-I302 PolarHBondContact O-N 3.42Å; D300-I302 PolarHBondContact OD1-N 3.45Å; I302-I304 VanDerWaalsContact C-N 3.32Å; I302-I304 PolarHBondContact O-N 3.23Å; I302-Y305 PolarHBondContact O-N 3.11Å; I302-Q306 HydrophobicContact CG2-CG 4.2Å; I302-Q306 WeakPolarHBondContact O-CB 3.43Å; I302-Q306 WeakPolarHBondContact O-CG 3.23Å; I302-Q306 PolarHBondContact O-N 3.27Å
303	A	94.4	Very high	89.1	Confident	13 Å²	13	49.5 Å²	49.5	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-37.9	179.2	0	0	0	0	0	111.9	D300 K307 K308 I309	D300-A303 HydrophobicContact CB-CB 3.8Å; D300-A303 PolarHBondContact O-N 3.26Å; D300-A303 PolarHBondContact OD1-N 3.02Å; A303-K307 PolarHBondContact O-N 3.11Å; A303-K308 HydrophobicContact CB-CB 4.28Å; A303-K308 PolarHBondContact O-N 2.91Å; A303-I309 HydrophobicContact CB-CD1 3.58Å; A303-I309 HydrophobicContact CB-CG1 3.7Å
304	I	95.5	Very high	86.7	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-53.3	171.5	-67.2	-73	0	0	0	109.9	F101 F144 A147 Q148 L151 T299 D300 I302 Q306 K307 I309	F101-I304 HydrophobicContact CE2-CG2 4.24Å; F101-I304 HydrophobicContact CZ-CG2 3.95Å; F101-I304 WeakPolarHBondContact CZ-O 3.46Å; F144-I304 HydrophobicContact CD2-CD1 3.51Å; F144-I304 HydrophobicContact CE2-CD1 3.66Å; A147-I304 HydrophobicContact CB-CG1 4.43Å; A147-I304 HydrophobicContact CB-CG2 4.39Å; Q148-I304 HydrophobicContact CG-CG2 3.78Å; L151-I304 HydrophobicContact CD1-CB 4.3Å; L151-I304 HydrophobicContact CD1-CG2 3.83Å; T299-I304 HydrophobicContact CG2-CG1 4.24Å; D300-I304 VanDerWaalsContact O-CG1 3.31Å; D300-I304 WeakPolarHBondContact O-CG1 3.49Å; D300-I304 PolarHBondContact O-N 2.81Å; I302-I304 VanDerWaalsContact C-N 3.32Å; I302-I304 PolarHBondContact O-N 3.23Å; I304-Q306 VanDerWaalsContact C-N 3.27Å; I304-Q306 PolarHBondContact O-N 3.34Å; I304-K307 WeakPolarHBondContact O-CA 3.47Å; I304-K307 PolarHBondContact O-N 2.61Å; I304-I309 HydrophobicContact CD1-CB 3.83Å; I304-I309 HydrophobicContact CD1-CG1 3.78Å; I304-I309 HydrophobicContact CD1-CG2 4.11Å; I304-I309 HydrophobicContact CG1-CG1 4.08Å
305	Y	96.5	Very high	84.1	Confident	45 Å²	45	51.1 Å²	51.1	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-42.5	179	171.9	-101.1	0	0	0	112.8	F13 F14 F17 F99 P100 W301 I302 K307	F13-Y305 AromaticContact CE1-CD1 3.79Å; F13-Y305 HydrophobicContact CE1-CD1 3.79Å; F13-Y305 HydrophobicContact CE1-CE1 4.02Å; F13-Y305 AromaticContact CZ-CD1 3.91Å; F13-Y305 HydrophobicContact CZ-CD1 3.91Å; F13-Y305 AromaticContact CZ-CE1 3.83Å; F13-Y305 HydrophobicContact CZ-CE1 3.83Å; F14-Y305 HydrophobicContact CE1-CD2 4.36Å; F14-Y305 HydrophobicContact CE1-CG 4.23Å; F14-Y305 HydrophobicContact CZ-CG 4.49Å; F17-Y305 HydrophobicContact CE1-CE2 4.42Å; F17-Y305 HydrophobicContact CE2-CE2 4.2Å; F17-Y305 AromaticContact CE2-CZ 3.88Å; F17-Y305 WeakPolarHBondContact CE2-OH 3.22Å; F17-Y305 HydrophobicContact CZ-CE2 4.06Å; F99-Y305 HydrophobicContact CD2-CE2 4.35Å; F99-Y305 AromaticContact CE2-CD2 4Å; F99-Y305 HydrophobicContact CE2-CD2 4Å; F99-Y305 AromaticContact CE2-CE2 3.65Å; F99-Y305 HydrophobicContact CE2-CE2 3.65Å; F99-Y305 AromaticContact CZ-CD2 4Å; F99-Y305 HydrophobicContact CZ-CD2 4Å; F99-Y305 HydrophobicContact CZ-CE2 4.13Å; P100-Y305 HydrophobicContact CG-CD2 4.08Å; P100-Y305 HydrophobicContact CG-CE2 3.61Å; W301-Y305 WeakPolarHBondContact O-CB 3.22Å; W301-Y305 PolarHBondContact O-N 3.08Å; I302-Y305 PolarHBondContact O-N 3.11Å; Y305-K307 PolarHBondContact O-N 3.27Å
306	Q	95.5	Very high	81.4	Confident	80 Å²	80	60.9 Å²	60.9	37%	0.374	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.8	179.4	-66.7	-179.4	-12.9	0	0	113.8	I302 I304 K308	I302-Q306 HydrophobicContact CG2-CG 4.2Å; I302-Q306 WeakPolarHBondContact O-CB 3.43Å; I302-Q306 WeakPolarHBondContact O-CG 3.23Å; I302-Q306 PolarHBondContact O-N 3.27Å; I304-Q306 VanDerWaalsContact C-N 3.27Å; I304-Q306 PolarHBondContact O-N 3.34Å; Q306-K308 HydrophobicContact CB-CD 4Å; Q306-K308 HydrophobicContact CB-CG 3.91Å; Q306-K308 PolarHBondContact O-N 3.03Å
307	K	94.3	Very high	78.8	Confident	70 Å²	70	64.3 Å²	64.3	30%	0.304	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	34.2	-173.7	-59.8	-167.5	173.1	-170.4	0	114.2	F101 D174 Y178 A303 I304 Y305	F101-K307 HydrophobicContact CE1-CG 4.21Å; D174-K307 IonicContact OD2-NZ 3.83Å; D174-K307 PolarHBondContact OD2-NZ 3.06Å; Y178-K307 HydrophobicContact CD1-CB 4.47Å; Y178-K307 HydrophobicContact CD1-CD 4.24Å; Y178-K307 HydrophobicContact CD1-CG 3.84Å; Y178-K307 HydrophobicContact CD2-CB 4.29Å; Y178-K307 HydrophobicContact CD2-CD 4.2Å; Y178-K307 HydrophobicContact CD2-CG 4.25Å; Y178-K307 HydrophobicContact CE1-CB 4.09Å; Y178-K307 HydrophobicContact CE1-CG 3.85Å; Y178-K307 HydrophobicContact CE2-CB 3.92Å; Y178-K307 HydrophobicContact CE2-CG 4.27Å; Y178-K307 HydrophobicContact CG-CD 3.98Å; Y178-K307 HydrophobicContact CG-CG 4.03Å; Y178-K307 VanDerWaalsContact CZ-CA 3.44Å; Y178-K307 VanDerWaalsContact OH-C 3.29Å; Y178-K307 VanDerWaalsContact OH-CA 3.32Å; Y178-K307 WeakPolarHBondContact OH-CA 3.38Å; A303-K307 PolarHBondContact O-N 3.11Å; I304-K307 WeakPolarHBondContact O-CA 3.47Å; I304-K307 PolarHBondContact O-N 2.61Å; Y305-K307 PolarHBondContact O-N 3.27Å
308	K	92.3	Very high	76.5	Confident	144 Å²	144	68 Å²	68	63%	0.626	37%	0.369	S	S	*	.			trans	-92.7	-10.6	-178.2	-71.8	-178.4	177.8	170.8	0	114.2	A303 Q306	A303-K308 HydrophobicContact CB-CB 4.28Å; A303-K308 PolarHBondContact O-N 2.91Å; Q306-K308 HydrophobicContact CB-CD 4Å; Q306-K308 HydrophobicContact CB-CG 3.91Å; Q306-K308 PolarHBondContact O-N 3.03Å
309	I	87.7	Confident	74.2	Confident	62 Å²	62	69.1 Å²	69.1	32%	0.318	38%	0.377	S	S	.	.	S	Bend	trans	-86.2	126.2	174.3	-59.8	-58.3	0	0	0	108.5	F144 Y178 A303 I304	F144-I309 HydrophobicContact CD2-CG2 4.1Å; F144-I309 HydrophobicContact CE2-CB 4.32Å; F144-I309 HydrophobicContact CE2-CG2 4.1Å; Y178-I309 WeakPolarHBondContact CE2-O 3.49Å; Y178-I309 PolarHBondContact OH-N 3.46Å; Y178-I309 VanDerWaalsContact OH-N 3.16Å; Y178-I309 PolarHBondContact OH-O 3.35Å; A303-I309 HydrophobicContact CB-CD1 3.58Å; A303-I309 HydrophobicContact CB-CG1 3.7Å; I304-I309 HydrophobicContact CD1-CB 3.83Å; I304-I309 HydrophobicContact CD1-CG1 3.78Å; I304-I309 HydrophobicContact CD1-CG2 4.11Å; I304-I309 HydrophobicContact CG1-CG1 4.08Å
310	T	76.2	Confident	72.2	Confident	87 Å²	87	72.8 Å²	72.8	53%	0.534	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-78.4	130.7	165	-9.2	0	0	0	0	107.9	F314	T310-F314 HydrophobicContact CG2-CD2 3.25Å; T310-F314 HydrophobicContact CG2-CE2 3.49Å; T310-F314 VanDerWaalsContact CG2-CE2 3.49Å; T310-F314 HydrophobicContact CG2-CG 4.05Å; T310-F314 HydrophobicContact CG2-CZ 4.46Å
311	P	68.1	Low	70.5	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.019	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-49.7	148	175.7	-20.8	16.6	0	0	0	112.8	F144 S313 F314 Y328	F144-P311 HydrophobicContact CD1-CB 4.14Å; F144-P311 HydrophobicContact CD1-CG 4.32Å; F144-P311 HydrophobicContact CE1-CB 3.95Å; F144-P311 HydrophobicContact CE1-CG 3.62Å; F144-P311 HydrophobicContact CE2-CG 4.32Å; F144-P311 HydrophobicContact CZ-CB 4.24Å; F144-P311 HydrophobicContact CZ-CG 3.63Å; P311-S313 PolarHBondContact O-N 2.89Å; P311-F314 PolarHBondContact O-N 3.23Å; P311-Y328 WeakPolarHBondContact CA-OH 3.31Å; P311-Y328 HydrophobicContact CB-CE1 4.4Å; P311-Y328 HydrophobicContact CB-CE2 4.17Å; P311-Y328 WeakPolarHBondContact CB-OH 3.27Å; P311-Y328 WeakPolarHBondContact CD-OH 3.32Å; P311-Y328 HydrophobicContact CG-CE1 3.7Å; P311-Y328 HydrophobicContact CG-CE2 4.35Å; P311-Y328 VanDerWaalsContact CG-CZ 3.42Å; P311-Y328 WeakPolarHBondContact CG-OH 3.43Å; P311-Y328 PolarHBondContact O-OH 2.73Å
312	P	58.8	Low	68.8	Low	34 Å²	34	80.9 Å²	80.9	22%	0.221	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-55.2	-14.2	-165.2	-25.8	30	0	0	0	116.9	P140 F144 F314 S315	P140-P312 HydrophobicContact CB-CB 4.07Å; P140-P312 HydrophobicContact CB-CG 3.97Å; F144-P312 HydrophobicContact CB-CG 4.45Å; P312-F314 PolarHBondContact O-N 3.48Å; P312-S315 PolarHBondContact O-N 3.49Å; P312-S315 VanDerWaalsContact O-N 3.16Å; P312-S315 PolarHBondContact O-OG 2.97Å
313	S	52.9	Low	67.1	Low	30 Å²	30	80.8 Å²	80.8	21%	0.21	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-66.6	-13.4	-179.6	-25.6	0	0	0	0	114.1	H141 P311 L327	H141-S313 PolarHBondContact NE2-N 2.93Å; H141-S313 PolarHBondContact NE2-OG 3.03Å; P311-S313 PolarHBondContact O-N 2.89Å; S313-L327 WeakPolarHBondContact OG-CD1 3.3Å
314	F	48.2	Very low	65.6	Low	118 Å²	118	83.6 Å²	83.6	52%	0.518	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-84	-13.1	173.8	-76.9	-76.7	0	0	0	114.4	T310 P311 P312 K316 F324 Y328	T310-F314 HydrophobicContact CG2-CD2 3.25Å; T310-F314 HydrophobicContact CG2-CE2 3.49Å; T310-F314 VanDerWaalsContact CG2-CE2 3.49Å; T310-F314 HydrophobicContact CG2-CG 4.05Å; T310-F314 HydrophobicContact CG2-CZ 4.46Å; P311-F314 PolarHBondContact O-N 3.23Å; P312-F314 PolarHBondContact O-N 3.48Å; F314-K316 PolarHBondContact O-N 3.29Å; F314-K316 VanDerWaalsContact O-N 3.16Å; F314-F324 HydrophobicContact CD1-CE2 4.49Å; F314-F324 AromaticContact CE1-CE2 3.79Å; F314-F324 HydrophobicContact CE1-CE2 3.79Å; F314-F324 HydrophobicContact CE1-CZ 4.28Å; F314-F324 HydrophobicContact CE2-CE2 4.04Å; F314-F324 AromaticContact CZ-CE2 3.54Å; F314-F324 HydrophobicContact CZ-CE2 3.54Å; F314-F324 AromaticContact CZ-CZ 3.89Å; F314-F324 HydrophobicContact CZ-CZ 3.89Å; F314-Y328 HydrophobicContact CD2-CE2 4.16Å; F314-Y328 AromaticContact CD2-CZ 3.73Å; F314-Y328 WeakPolarHBondContact CD2-OH 3.38Å; F314-Y328 HydrophobicContact CE2-CD1 4.47Å; F314-Y328 AromaticContact CE2-CE1 3.71Å; F314-Y328 HydrophobicContact CE2-CE1 3.71Å; F314-Y328 AromaticContact CE2-CE2 3.79Å; F314-Y328 HydrophobicContact CE2-CE2 3.79Å; F314-Y328 AromaticContact CE2-CZ 3.28Å; F314-Y328 WeakPolarHBondContact CE2-OH 3.44Å
315	S	42.7	Very low	64	Low	93 Å²	93	87.4 Å²	87.4	65%	0.65	46%	0.464	S	S	*	.	S	Bend	trans	-85.6	93.7	177.4	60.8	0	0	0	0	110.9	P312	P312-S315 PolarHBondContact O-N 3.49Å; P312-S315 VanDerWaalsContact O-N 3.16Å; P312-S315 PolarHBondContact O-OG 2.97Å
316	K	41.1	Very low	62.3	Low	209 Å²	209	85.3 Å²	85.3	91%	0.909	46%	0.456	S	S	*	.	S	Bend	trans	41.8	102.5	158.1	-68.4	-176.4	176.6	-178.6	0	116.8	F314	F314-K316 PolarHBondContact O-N 3.29Å; F314-K316 VanDerWaalsContact O-N 3.16Å
317	G	44.8	Very low	60.9	Low	75 Å²	75	81.5 Å²	81.5	77%	0.773	44%	0.438	S	S	*	.			trans	109.7	-9.6	142.6	0	0	0	0	0	117.8	S319	G317-S319 PolarHBondContact O-N 3.18Å; G317-S319 VanDerWaalsContact O-N 3.12Å
318	E	44.8	Very low	59.8	Low	144 Å²	144	79.2 Å²	79.2	67%	0.673	43%	0.428	S	S	*	.			trans	-85.5	86.8	168.8	-72.9	-170.5	165.4	0	0	109.6	N320	E318-N320 PolarHBondContact O-N 3.35Å
319	S	44.3	Very low	58.8	Low	123 Å²	123	72.6 Å²	72.6	86%	0.86	40%	0.4	S	S	*	.			trans	-66.4	41.4	167.6	49.4	0	0	0	0	112.5	G317 G321	G317-S319 PolarHBondContact O-N 3.18Å; G317-S319 VanDerWaalsContact O-N 3.12Å; S319-G321 PolarHBondContact O-N 3.07Å
320	N	52.8	Low	58.3	Low	98 Å²	98	77 Å²	77	52%	0.524	41%	0.413	S	S	.	.			trans	-97.6	84.8	175.8	-127.3	-7.8	0	0	0	108	E318 R322 L323 F324	E318-N320 PolarHBondContact O-N 3.35Å; N320-R322 PolarHBondContact O-N 3.29Å; N320-L323 HydrophobicContact CB-CB 4.19Å; N320-L323 WeakPolarHBondContact O-CB 3.31Å; N320-L323 PolarHBondContact O-N 3.36Å; N320-F324 PolarHBondContact O-N 3.36Å
321	G	57.2	Low	58.5	Low	49 Å²	49	75.1 Å²	75.1	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-50.5	-30.7	-178.5	0	0	0	0	0	113.4	S319 F324 E325	S319-G321 PolarHBondContact O-N 3.07Å; G321-F324 PolarHBondContact O-N 3.14Å; G321-E325 WeakPolarHBondContact O-CB 3.34Å; G321-E325 PolarHBondContact O-N 3.06Å
322	R	60.2	Low	59.3	Low	192 Å²	192	81.1 Å²	81.1	73%	0.725	43%	0.433	S	S	*	.	H	α-helix	trans	-64.2	-38.5	173.4	-70.5	-173.7	179.5	-177.7	0.4	113.8	N320 A326	N320-R322 PolarHBondContact O-N 3.29Å; R322-A326 VanDerWaalsContact O-CB 3.25Å; R322-A326 WeakPolarHBondContact O-CB 2.81Å; R322-A326 PolarHBondContact O-N 3.42Å; R322-A326 VanDerWaalsContact O-N 3.09Å
323	L	60.4	Low	60.7	Low	22 Å²	22	81.3 Å²	81.3	12%	0.115	44%	0.441	C	S	.	.	H	α-helix	trans	-69.6	-43.3	178.7	-154.1	89.6	0	0	0	110	I134 H141 N320 A326 L327	I134-L323 HydrophobicContact CD1-CD1 4.19Å; I134-L323 HydrophobicContact CG2-CD1 3.6Å; H141-L323 WeakPolarHBondContact CE1-CD2 3.14Å; N320-L323 HydrophobicContact CB-CB 4.19Å; N320-L323 WeakPolarHBondContact O-CB 3.31Å; N320-L323 PolarHBondContact O-N 3.36Å; L323-A326 PolarHBondContact O-N 2.72Å; L323-L327 HydrophobicContact CD2-CD1 4.09Å; L323-L327 HydrophobicContact CG-CD1 3.88Å; L323-L327 WeakPolarHBondContact O-CB 3.13Å; L323-L327 WeakPolarHBondContact O-CD1 3.36Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.05Å
324	F	63.4	Low	62.3	Low	73 Å²	73	84.3 Å²	84.3	32%	0.32	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-49.8	175.4	-172.7	-90.9	0	0	0	111.4	F314 N320 G321 A326 L327 Y328	F314-F324 HydrophobicContact CD1-CE2 4.49Å; F314-F324 AromaticContact CE1-CE2 3.79Å; F314-F324 HydrophobicContact CE1-CE2 3.79Å; F314-F324 HydrophobicContact CE1-CZ 4.28Å; F314-F324 HydrophobicContact CE2-CE2 4.04Å; F314-F324 AromaticContact CZ-CE2 3.54Å; F314-F324 HydrophobicContact CZ-CE2 3.54Å; F314-F324 AromaticContact CZ-CZ 3.89Å; F314-F324 HydrophobicContact CZ-CZ 3.89Å; N320-F324 PolarHBondContact O-N 3.36Å; G321-F324 PolarHBondContact O-N 3.14Å; F324-A326 VanDerWaalsContact C-N 3.28Å; F324-A326 PolarHBondContact O-N 2.62Å; F324-L327 PolarHBondContact O-N 3.27Å; F324-Y328 AromaticContact CD2-CD2 3.74Å; F324-Y328 HydrophobicContact CD2-CD2 3.74Å; F324-Y328 HydrophobicContact CD2-CE2 4.12Å; F324-Y328 AromaticContact CE2-CD2 3.67Å; F324-Y328 HydrophobicContact CE2-CD2 3.67Å; F324-Y328 AromaticContact CE2-CE2 4Å; F324-Y328 HydrophobicContact CE2-CE2 4Å; F324-Y328 HydrophobicContact CE2-CG 4.23Å; F324-Y328 HydrophobicContact CG-CD2 4.21Å; F324-Y328 HydrophobicContact CZ-CD2 4.08Å; F324-Y328 HydrophobicContact CZ-CG 4.2Å; F324-Y328 WeakPolarHBondContact O-CA 3.29Å; F324-Y328 WeakPolarHBondContact O-CB 3.45Å; F324-Y328 WeakPolarHBondContact O-CD2 3.46Å; F324-Y328 PolarHBondContact O-N 3.04Å
325	E	61.4	Low	64.2	Low	84 Å²	84	80.4 Å²	80.4	39%	0.393	45%	0.449	S	S	.	.	H	α-helix	trans	-63.6	-30.9	-180	-81.7	-172.6	154.5	0	0	113.9	G321 Y328 P329 R330	G321-E325 WeakPolarHBondContact O-CB 3.34Å; G321-E325 PolarHBondContact O-N 3.06Å; E325-Y328 CarbonylContact O-C 3.45Å; E325-Y328 VanDerWaalsContact O-C 3.29Å; E325-P329 VanDerWaalsContact O-CA 3.27Å; E325-P329 WeakPolarHBondContact O-CA 3.39Å; E325-R330 IonicContact OE1-CZ 2.75Å; E325-R330 IonicContact OE1-NE 3.94Å
326	A	60.8	Low	66.5	Low	1 Å²	1	76.9 Å²	76.9	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-86.8	-20.7	-179.3	0	0	0	0	0	113.3	H130 I134 R322 L323 F324	H130-A326 HydrophobicContact CB-CB 4.23Å; H130-A326 WeakPolarHBondContact CB-O 3.34Å; H130-A326 WeakPolarHBondContact ND1-CA 3.27Å; H130-A326 PolarHBondContact ND1-O 2.92Å; H130-A326 VanDerWaalsContact ND1-O 3.07Å; I134-A326 HydrophobicContact CD1-CB 3.25Å; I134-A326 HydrophobicContact CG1-CB 3.47Å; I134-A326 VanDerWaalsContact CG1-CB 3.47Å; R322-A326 VanDerWaalsContact O-CB 3.25Å; R322-A326 WeakPolarHBondContact O-CB 2.81Å; R322-A326 PolarHBondContact O-N 3.42Å; R322-A326 VanDerWaalsContact O-N 3.09Å; L323-A326 PolarHBondContact O-N 2.72Å; F324-A326 VanDerWaalsContact C-N 3.28Å; F324-A326 PolarHBondContact O-N 2.62Å
327	L	66.4	Low	68.8	Low	0 Å²	0	67.9 Å²	67.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-95	-21.9	172.9	-61.3	170.6	0	0	0	112.4	I134 F137 H141 Y145 G177 S313 L323 F324	I134-L327 HydrophobicContact CD1-CD2 4.47Å; I134-L327 HydrophobicContact CD1-CG 4.35Å; F137-L327 HydrophobicContact CD1-CD2 4.34Å; F137-L327 HydrophobicContact CE1-CD2 4.09Å; F137-L327 HydrophobicContact CZ-CD2 4.31Å; H141-L327 WeakPolarHBondContact CD2-CD1 3.37Å; H141-L327 VanDerWaalsContact NE2-CD1 3.28Å; H141-L327 WeakPolarHBondContact NE2-CD1 3.47Å; Y145-L327 HydrophobicContact CE2-CD2 3.55Å; Y145-L327 WeakPolarHBondContact OH-CD2 3.45Å; G177-L327 WeakPolarHBondContact CA-O 3.18Å; S313-L327 WeakPolarHBondContact OG-CD1 3.3Å; L323-L327 HydrophobicContact CD2-CD1 4.09Å; L323-L327 HydrophobicContact CG-CD1 3.88Å; L323-L327 WeakPolarHBondContact O-CB 3.13Å; L323-L327 WeakPolarHBondContact O-CD1 3.36Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.05Å; F324-L327 PolarHBondContact O-N 3.27Å
328	Y	72.1	Confident	71	Confident	22 Å²	22	70.8 Å²	70.8	9%	0.086	37%	0.373	C	S	.	.	S	Bend	trans	-126.7	76.9	172.1	-58.4	-84.8	0	0	0	108.6	P311 F314 F324 E325 R330	P311-Y328 WeakPolarHBondContact CA-OH 3.31Å; P311-Y328 HydrophobicContact CB-CE1 4.4Å; P311-Y328 HydrophobicContact CB-CE2 4.17Å; P311-Y328 WeakPolarHBondContact CB-OH 3.27Å; P311-Y328 WeakPolarHBondContact CD-OH 3.32Å; P311-Y328 HydrophobicContact CG-CE1 3.7Å; P311-Y328 HydrophobicContact CG-CE2 4.35Å; P311-Y328 VanDerWaalsContact CG-CZ 3.42Å; P311-Y328 WeakPolarHBondContact CG-OH 3.43Å; P311-Y328 PolarHBondContact O-OH 2.73Å; F314-Y328 HydrophobicContact CD2-CE2 4.16Å; F314-Y328 AromaticContact CD2-CZ 3.73Å; F314-Y328 WeakPolarHBondContact CD2-OH 3.38Å; F314-Y328 HydrophobicContact CE2-CD1 4.47Å; F314-Y328 AromaticContact CE2-CE1 3.71Å; F314-Y328 HydrophobicContact CE2-CE1 3.71Å; F314-Y328 AromaticContact CE2-CE2 3.79Å; F314-Y328 HydrophobicContact CE2-CE2 3.79Å; F314-Y328 AromaticContact CE2-CZ 3.28Å; F314-Y328 WeakPolarHBondContact CE2-OH 3.44Å; F324-Y328 AromaticContact CD2-CD2 3.74Å; F324-Y328 HydrophobicContact CD2-CD2 3.74Å; F324-Y328 HydrophobicContact CD2-CE2 4.12Å; F324-Y328 AromaticContact CE2-CD2 3.67Å; F324-Y328 HydrophobicContact CE2-CD2 3.67Å; F324-Y328 AromaticContact CE2-CE2 4Å; F324-Y328 HydrophobicContact CE2-CE2 4Å; F324-Y328 HydrophobicContact CE2-CG 4.23Å; F324-Y328 HydrophobicContact CG-CD2 4.21Å; F324-Y328 HydrophobicContact CZ-CD2 4.08Å; F324-Y328 HydrophobicContact CZ-CG 4.2Å; F324-Y328 WeakPolarHBondContact O-CA 3.29Å; F324-Y328 WeakPolarHBondContact O-CB 3.45Å; F324-Y328 WeakPolarHBondContact O-CD2 3.46Å; F324-Y328 PolarHBondContact O-N 3.04Å; E325-Y328 CarbonylContact O-C 3.45Å; E325-Y328 VanDerWaalsContact O-C 3.29Å; Y328-R330 PolarHBondContact O-N 3.32Å
329	P	71.3	Confident	72.9	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.032	35%	0.348	C	S	.	.			trans	-49	120.1	173.9	15.2	-27.6	0	0	0	109.3	I173 E325 V331 H339	I173-P329 HydrophobicContact CG2-CG 4.06Å; E325-P329 VanDerWaalsContact O-CA 3.27Å; E325-P329 WeakPolarHBondContact O-CA 3.39Å; P329-V331 WeakPolarHBondContact O-CG2 3.47Å; P329-V331 PolarHBondContact O-N 2.87Å; P329-H339 VanDerWaalsContact CB-NE2 3.31Å; P329-H339 WeakPolarHBondContact CB-NE2 3.47Å
330	R	76.5	Confident	74.7	Confident	156 Å²	156	61 Å²	61	59%	0.589	31%	0.313	S	S	*	.			trans	-65.4	123.6	173.3	-71.9	-174.9	-179	-166.8	2.9	108.1	E325 Y328 R338 H339	E325-R330 IonicContact OE1-CZ 2.75Å; E325-R330 IonicContact OE1-NE 3.94Å; Y328-R330 PolarHBondContact O-N 3.32Å; R330-R338 WeakPolarHBondContact O-CD 3.44Å; R330-R338 PolarHBondContact O-NE 3.2Å; R330-H339 PolarHBondContact O-NE2 3.3Å
331	V	80	Confident	75.7	Confident	46 Å²	46	61.4 Å²	61.4	28%	0.279	32%	0.319	S	S	.	.			trans	-119.4	124	179.7	177.9	0	0	0	0	107.1	S123 P329 G333 D336	S123-V331 WeakPolarHBondContact OG-CG1 3.3Å; S123-V331 WeakPolarHBondContact OG-CG2 3.42Å; P329-V331 WeakPolarHBondContact O-CG2 3.47Å; P329-V331 PolarHBondContact O-N 2.87Å; V331-G333 WeakPolarHBondContact CG1-O 3.41Å; V331-D336 WeakPolarHBondContact CA-OD2 3.34Å; V331-D336 HydrophobicContact CG1-CB 3.78Å
332	D	85.2	Confident	76	Confident	130 Å²	130	67.4 Å²	67.4	70%	0.695	33%	0.334	S	S	*	.			trans	-101.7	80.4	178.2	-168.4	14.5	0	0	0	109.7	D336 R338	D332-D336 PolarHBondContact N-OD2 2.84Å; D332-R338 IonicContact OD2-NH2 3.73Å
333	G	87.7	Confident	76.3	Confident	38 Å²	38	62.3 Å²	62.3	39%	0.392	32%	0.318	S	S	.	.	S	Bend	trans	84.9	172.3	179.8	0	0	0	0	0	114.8	V331 A335 D336	V331-G333 WeakPolarHBondContact CG1-O 3.41Å; G333-A335 PolarHBondContact O-N 2.88Å; G333-D336 PolarHBondContact O-N 3.41Å
334	P	86.8	Confident	76.1	Confident	93 Å²	93	66.9 Å²	66.9	60%	0.604	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	-168.1	29.7	-37.3	0	0	0	114.6	Y67 F121	Y67-P334 HydrophobicContact CD2-CB 3.72Å; Y67-P334 HydrophobicContact CD2-CG 3.95Å; Y67-P334 HydrophobicContact CE2-CB 3.97Å; Y67-P334 HydrophobicContact CE2-CG 3.63Å; F121-P334 WeakPolarHBondContact CD1-O 3.3Å
335	A	89.4	Confident	75.8	Confident	35 Å²	35	72.6 Å²	72.6	29%	0.289	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	6	-178.8	0	0	0	0	0	113.3	L58 Y67 G333 T337	L58-A335 HydrophobicContact CD2-CB 4.27Å; L58-A335 WeakPolarHBondContact CD2-O 3.27Å; Y67-A335 HydrophobicContact CD1-CB 3.88Å; Y67-A335 HydrophobicContact CE1-CB 3.46Å; Y67-A335 VanDerWaalsContact CE1-CB 3.46Å; Y67-A335 HydrophobicContact CE2-CB 4.3Å; Y67-A335 HydrophobicContact CG-CB 4.45Å; G333-A335 PolarHBondContact O-N 2.88Å; A335-T337 PolarHBondContact O-N 3.28Å
336	D	90.5	Very high	75.7	Confident	20 Å²	20	73.3 Å²	73.3	11%	0.107	38%	0.378	C	S	.	.			trans	-64.6	128.4	-174.5	-168.6	-13.9	0	0	0	111.4	F121 V331 D332 G333 R338	F121-D336 VanDerWaalsContact CZ-O 3.3Å; F121-D336 WeakPolarHBondContact CZ-O 3.08Å; V331-D336 WeakPolarHBondContact CA-OD2 3.34Å; V331-D336 HydrophobicContact CG1-CB 3.78Å; D332-D336 PolarHBondContact N-OD2 2.84Å; G333-D336 PolarHBondContact O-N 3.41Å; D336-R338 WeakPolarHBondContact OD1-CB 3.42Å; D336-R338 WeakPolarHBondContact OD1-CG 3.48Å; D336-R338 PolarHBondContact OD1-N 3.23Å; D336-R338 IonicContact OD1-NE 3.44Å; D336-R338 PolarHBondContact OD1-NE 3.46Å; D336-R338 IonicContact OD2-CZ 3.56Å; D336-R338 IonicContact OD2-NE 2.83Å; D336-R338 PolarHBondContact OD2-NE 3.3Å; D336-R338 IonicContact OD2-NH2 3.51Å; D336-R338 PolarHBondContact OD2-NH2 2.8Å
337	T	89.7	Confident	75.8	Confident	20 Å²	20	78 Å²	78	12%	0.123	41%	0.408	C	S	.	.			trans	-118.8	15.2	-179.9	59.9	0	0	0	0	113.6	K46 L48 L58 F121 A335 H339 F340	K46-T337 HydrophobicContact CD-CG2 4.29Å; K46-T337 WeakPolarHBondContact CD-OG1 3.36Å; K46-T337 PolarHBondContact NZ-OG1 3.22Å; L48-T337 HydrophobicContact CD2-CG2 3.58Å; L58-T337 HydrophobicContact CD2-CG2 3.66Å; F121-T337 HydrophobicContact CZ-CG2 4.21Å; A335-T337 PolarHBondContact O-N 3.28Å; T337-H339 PolarHBondContact O-N 3.2Å; T337-H339 VanDerWaalsContact O-N 3.08Å; T337-F340 WeakPolarHBondContact O-CB 3.16Å; T337-F340 PolarHBondContact O-N 3.45Å
338	R	89.2	Confident	75.5	Confident	135 Å²	135	81.4 Å²	81.4	51%	0.509	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22	-175.5	76.8	178.8	68.8	-165	-7.3	115	R330 D332 D336 F340	R330-R338 WeakPolarHBondContact O-CD 3.44Å; R330-R338 PolarHBondContact O-NE 3.2Å; D332-R338 IonicContact OD2-NH2 3.73Å; D336-R338 WeakPolarHBondContact OD1-CB 3.42Å; D336-R338 WeakPolarHBondContact OD1-CG 3.48Å; D336-R338 PolarHBondContact OD1-N 3.23Å; D336-R338 IonicContact OD1-NE 3.44Å; D336-R338 PolarHBondContact OD1-NE 3.46Å; D336-R338 IonicContact OD2-CZ 3.56Å; D336-R338 IonicContact OD2-NE 2.83Å; D336-R338 PolarHBondContact OD2-NE 3.3Å; D336-R338 IonicContact OD2-NH2 3.51Å; D336-R338 PolarHBondContact OD2-NH2 2.8Å; R338-F340 VanDerWaalsContact C-N 3.33Å
339	H	85.1	Confident	74.9	Confident	31 Å²	31	88 Å²	88	14%	0.144	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.6	180	-57.1	-67.4	0	0	0	112.7	S123 P329 R330 T337	S123-H339 PolarHBondContact O-CD2 3Å; P329-H339 VanDerWaalsContact CB-NE2 3.31Å; P329-H339 WeakPolarHBondContact CB-NE2 3.47Å; R330-H339 PolarHBondContact O-NE2 3.3Å; T337-H339 PolarHBondContact O-N 3.2Å; T337-H339 VanDerWaalsContact O-N 3.08Å
340	F	82.1	Confident	74.6	Confident	32 Å²	32	89.8 Å²	89.8	14%	0.14	47%	0.468	C	S	.	.	S	Bend	trans	-103.3	144	172.9	-63.6	-93.4	0	0	0	109.3	L48 F121 I122 T337 R338 E342	L48-F340 HydrophobicContact CB-CD1 3.95Å; L48-F340 HydrophobicContact CB-CE1 4.24Å; L48-F340 HydrophobicContact CD1-CE1 4.45Å; L48-F340 HydrophobicContact CD2-CB 4.4Å; L48-F340 HydrophobicContact CD2-CD1 4.07Å; L48-F340 HydrophobicContact CD2-CD2 4.01Å; L48-F340 HydrophobicContact CD2-CE1 4.35Å; L48-F340 HydrophobicContact CD2-CE2 4.3Å; L48-F340 HydrophobicContact CD2-CG 3.88Å; L48-F340 HydrophobicContact CD2-CZ 4.46Å; L48-F340 HydrophobicContact CG-CD1 4.49Å; F121-F340 AromaticContact CE2-CE2 3.57Å; F121-F340 HydrophobicContact CE2-CE2 3.57Å; F121-F340 AromaticContact CE2-CZ 3.67Å; F121-F340 HydrophobicContact CE2-CZ 3.67Å; F121-F340 AromaticContact CZ-CE2 3.8Å; F121-F340 HydrophobicContact CZ-CE2 3.8Å; F121-F340 HydrophobicContact CZ-CZ 4.36Å; I122-F340 WeakPolarHBondContact O-CZ 3.47Å; T337-F340 WeakPolarHBondContact O-CB 3.16Å; T337-F340 PolarHBondContact O-N 3.45Å; R338-F340 VanDerWaalsContact C-N 3.33Å; F340-E342 PolarHBondContact O-N 3.4Å
341	V	75	Confident	74	Confident	105 Å²	105	88.6 Å²	88.6	64%	0.636	48%	0.478	S	S	*	.			trans	-62.5	136.5	177.9	-156.3	0	0	0	0	108.8	E343	V341-E343 PolarHBondContact O-N 3.32Å; V341-E343 VanDerWaalsContact O-N 3.09Å
342	E	63.6	Low	73.4	Confident	175 Å²	175	90.4 Å²	90.4	82%	0.818	49%	0.485	S	S	*	.			trans	-70.2	104.5	171.4	-79	-174.5	153.3	0	0	109.2	F340	F340-E342 PolarHBondContact O-N 3.4Å
343	E	66.1	Low	72.6	Confident	86 Å²	86	86.4 Å²	86.4	40%	0.402	47%	0.469	S	S	.	.			trans	-108.5	159.6	176.5	-84	-166.7	168.8	0	0	113.3	T50 V341	T50-E343 PolarHBondContact N-OE2 3.01Å; T50-E343 PolarHBondContact OG1-OE2 3.48Å; V341-E343 PolarHBondContact O-N 3.32Å; V341-E343 VanDerWaalsContact O-N 3.09Å
344	V	55.8	Low	71.3	Confident	117 Å²	117	88.5 Å²	88.5	71%	0.709	48%	0.483	S	S	*	.			trans	-46.3	130	-171.3	-175.6	0	0	0	0	112.1	E346	V344-E346 VanDerWaalsContact C-N 3.25Å; V344-E346 PolarHBondContact O-N 3.35Å
345	Q	56.3	Low	70.1	Confident	194 Å²	194	85.4 Å²	85.4	91%	0.907	46%	0.463	S	S	*	.			trans	-63.9	88.9	165.8	-78.9	-173.8	-6.7	0	0	109.2
346	E	61.2	Low	68.9	Low	99 Å²	99	88.1 Å²	88.1	46%	0.463	48%	0.477	S	S	.	.			trans	-75.3	152.6	159.2	-76.8	-166.9	158.3	0	0	109.8	R55 V344 T348	R55-E346 IonicContact CZ-OE2 3.21Å; R55-E346 IonicContact NE-OE2 3.99Å; R55-E346 IonicContact NH1-OE2 2.68Å; R55-E346 PolarHBondContact NH1-OE2 3.46Å; V344-E346 VanDerWaalsContact C-N 3.25Å; V344-E346 PolarHBondContact O-N 3.35Å; E346-T348 PolarHBondContact O-N 2.73Å
347	P	62.7	Low	67.8	Low	98 Å²	98	95.6 Å²	95.6	64%	0.636	51%	0.512	S	S	*	.			trans	-53.8	132.2	176.4	19.1	-30	0	0	0	111.3	R55 E349	R55-P347 PolarHBondContact NH1-O 2.78Å; R55-P347 PolarHBondContact NH2-O 2.67Å; P347-E349 VanDerWaalsContact C-N 3.26Å
348	T	58.8	Low	67.4	Low	73 Å²	73	95.8 Å²	95.8	45%	0.448	51%	0.512	S	S	.	.	S	Bend	trans	-73.2	-22.3	174.9	42	0	0	0	0	112	R44 M57 E346 F350	R44-T348 PolarHBondContact NH1-O 3.19Å; M57-T348 HydrophobicContact CE-CG2 4.34Å; E346-T348 PolarHBondContact O-N 2.73Å; T348-F350 WeakPolarHBondContact O-CD2 3.28Å; T348-F350 PolarHBondContact O-N 3.42Å
349	E	59.8	Low	66.9	Low	159 Å²	159	93.6 Å²	93.6	74%	0.743	51%	0.507	S	S	*	.			trans	-76.7	118.4	172.7	-72.3	-173.7	165.8	0	0	110.6	P347	P347-E349 VanDerWaalsContact C-N 3.26Å
350	F	65.1	Low	66.9	Low	44 Å²	44	100.2 Å²	100.2	19%	0.193	54%	0.538	C	S	.	.			trans	-90.8	123.2	170.2	-68.2	-92.5	0	0	0	108.2	R55 M57 I72 T348 I352	R55-F350 VanDerWaalsContact CZ-CZ 3.46Å; R55-F350 VanDerWaalsContact NH2-CE2 3.31Å; M57-F350 HydrophobicContact SD-CE2 4.06Å; M57-F350 HydrophobicContact SD-CZ 4.02Å; I72-F350 HydrophobicContact CB-CZ 4.39Å; I72-F350 HydrophobicContact CD1-CE1 4.28Å; I72-F350 HydrophobicContact CD1-CE2 3.83Å; I72-F350 HydrophobicContact CD1-CZ 3.33Å; I72-F350 HydrophobicContact CG1-CZ 4.4Å; I72-F350 HydrophobicContact CG2-CE1 3.72Å; I72-F350 HydrophobicContact CG2-CZ 3.89Å; T348-F350 WeakPolarHBondContact O-CD2 3.28Å; T348-F350 PolarHBondContact O-N 3.42Å; F350-I352 PolarHBondContact O-N 3.23Å
351	V	62.9	Low	67.2	Low	131 Å²	131	102.6 Å²	102.6	79%	0.794	55%	0.552	S	S	*	*			trans	-75.8	108.7	167.4	-179.3	0	0	0	0	107.3	A353	V351-A353 PolarHBondContact O-N 3.44Å; V351-A353 VanDerWaalsContact O-N 3.09Å
352	I	68.1	Low	67.9	Low	84 Å²	84	97.6 Å²	97.6	43%	0.431	52%	0.522	S	S	.	.			trans	-76.6	95.2	172.5	-58.5	176.4	0	0	0	107.3	D111 N112 S113 F350	D111-I352 HydrophobicContact CB-CD1 4.37Å; N112-I352 HydrophobicContact CB-CG2 3.7Å; S113-I352 WeakPolarHBondContact OG-CA 3.46Å; F350-I352 PolarHBondContact O-N 3.23Å
353	A	69.6	Low	69.1	Low	45 Å²	45	93.5 Å²	93.5	37%	0.372	51%	0.508	S	S	.	.			trans	-70.5	132	170.7	0	0	0	0	0	109.8	N112 S113 V351 T355	N112-A353 VanDerWaalsContact CB-O 3.31Å; N112-A353 WeakPolarHBondContact CB-O 3.17Å; S113-A353 PolarHBondContact OG-N 3.31Å; S113-A353 PolarHBondContact OG-O 3.31Å; S113-A353 VanDerWaalsContact OG-O 3.11Å; V351-A353 PolarHBondContact O-N 3.44Å; V351-A353 VanDerWaalsContact O-N 3.09Å; A353-T355 PolarHBondContact O-N 3.32Å
354	A	59	Low	70	Confident	82 Å²	82	95.4 Å²	95.4	68%	0.678	52%	0.518	S	S	*	.			trans	-71.9	94.9	168.8	0	0	0	0	0	108.8	P356	A354-P356 WeakPolarHBondContact O-CD 3.46Å
355	T	62.8	Low	71.6	Confident	29 Å²	29	89.9 Å²	89.9	18%	0.178	48%	0.484	C	S	.	.			trans	-119.8	79.7	173.2	39.6	0	0	0	0	110.6	N112 A353 Q357 L358	N112-T355 PolarHBondContact O-OG1 3.16Å; A353-T355 PolarHBondContact O-N 3.32Å; T355-Q357 PolarHBondContact O-N 3.02Å; T355-Q357 VanDerWaalsContact O-N 3.14Å; T355-L358 PolarHBondContact O-N 3Å
356	P	64.1	Low	72.4	Confident	92 Å²	92	84.7 Å²	84.7	60%	0.597	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-58	-31	-176.9	-21.6	31.7	0	0	0	112.9	A354 L358 E359	A354-P356 WeakPolarHBondContact O-CD 3.46Å; P356-L358 PolarHBondContact O-N 3.07Å; P356-E359 PolarHBondContact O-N 3.28Å; P356-E359 VanDerWaalsContact O-N 3.07Å
357	Q	67	Low	73	Confident	176 Å²	176	83.9 Å²	83.9	82%	0.822	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.9	-174.2	-67.5	167.1	-4.1	0	0	114.3	T355	T355-Q357 PolarHBondContact O-N 3.02Å; T355-Q357 VanDerWaalsContact O-N 3.14Å
358	L	80.3	Confident	73.5	Confident	25 Å²	25	83.1 Å²	83.1	13%	0.131	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-99.2	-9.9	179.8	-62.6	-174.8	0	0	0	113.6	K75 Q76 V79 T355 P356 E360 L361 F362	K75-L358 HydrophobicContact CB-CB 4.43Å; K75-L358 HydrophobicContact CB-CD1 3.85Å; K75-L358 HydrophobicContact CD-CB 4.41Å; Q76-L358 HydrophobicContact CB-CD1 4.27Å; Q76-L358 HydrophobicContact CG-CD1 3.57Å; V79-L358 HydrophobicContact CG2-CD2 3.99Å; T355-L358 PolarHBondContact O-N 3Å; P356-L358 PolarHBondContact O-N 3.07Å; L358-E360 VanDerWaalsContact C-N 3.33Å; L358-E360 PolarHBondContact O-N 3.07Å; L358-L361 HydrophobicContact CD2-CD1 4.09Å; L358-L361 PolarHBondContact O-N 3.48Å; L358-F362 VanDerWaalsContact O-CD2 3.31Å; L358-F362 WeakPolarHBondContact O-CD2 2.96Å
359	E	78.8	Confident	74.4	Confident	89 Å²	89	83.7 Å²	83.7	42%	0.416	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-41.9	-176.7	-70.9	-169.3	153.4	0	0	112.2	N112 P356 L361 F362 V363	N112-E359 PolarHBondContact OD1-OE1 3.49Å; P356-E359 PolarHBondContact O-N 3.28Å; P356-E359 VanDerWaalsContact O-N 3.07Å; E359-L361 VanDerWaalsContact C-N 3.28Å; E359-L361 PolarHBondContact O-N 3.17Å; E359-F362 CarbonylContact O-C 3.49Å; E359-F362 PolarHBondContact O-N 3.13Å; E359-V363 WeakPolarHBondContact O-CG2 3.49Å; E359-V363 PolarHBondContact O-N 2.79Å
360	E	84.9	Confident	75.3	Confident	170 Å²	170	79 Å²	79	79%	0.794	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-57.7	-38.3	-179.6	-68.2	-174.2	177	0	0	112.9	L358 F362 V363	L358-E360 VanDerWaalsContact C-N 3.33Å; L358-E360 PolarHBondContact O-N 3.07Å; E360-F362 PolarHBondContact O-N 2.95Å; E360-V363 WeakPolarHBondContact O-CG2 3.33Å
361	L	88.8	Confident	76	Confident	82 Å²	82	81.3 Å²	81.3	43%	0.429	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-69.1	-21.1	-179.7	-68.2	174.4	0	0	0	113.3	V79 L358 E359	V79-L361 HydrophobicContact CG1-CD1 4.48Å; V79-L361 HydrophobicContact CG2-CD1 3.73Å; L358-L361 HydrophobicContact CD2-CD1 4.09Å; L358-L361 PolarHBondContact O-N 3.48Å; E359-L361 VanDerWaalsContact C-N 3.28Å; E359-L361 PolarHBondContact O-N 3.17Å
362	F	90.6	Very high	76.9	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-120.2	21	-175.8	-60.3	-71.8	0	0	0	112.3	K75 V78 V79 V84 L88 K110 L115 L358 E359 E360 E364 F365	K75-F362 HydrophobicContact CB-CD2 4.21Å; K75-F362 HydrophobicContact CB-CE2 3.75Å; K75-F362 HydrophobicContact CD-CD2 3.81Å; K75-F362 HydrophobicContact CD-CE2 4.22Å; K75-F362 HydrophobicContact CG-CD2 3.79Å; K75-F362 HydrophobicContact CG-CE2 3.77Å; V78-F362 HydrophobicContact CB-CZ 4.16Å; V78-F362 HydrophobicContact CG1-CE1 3.95Å; V78-F362 HydrophobicContact CG1-CZ 3.73Å; V79-F362 HydrophobicContact CG2-CE2 3.97Å; V79-F362 HydrophobicContact CG2-CZ 4.02Å; V84-F362 HydrophobicContact CG1-CE1 4Å; V84-F362 HydrophobicContact CG1-CZ 4.39Å; V84-F362 HydrophobicContact CG2-CE1 4.38Å; V84-F362 HydrophobicContact CG2-CZ 4.07Å; L88-F362 HydrophobicContact CD2-CD1 4.24Å; K110-F362 WeakPolarHBondContact CD-O 3.22Å; K110-F362 WeakPolarHBondContact CE-O 3.38Å; K110-F362 PolarHBondContact NZ-O 2.98Å; L115-F362 HydrophobicContact CD1-CD1 3.57Å; L115-F362 HydrophobicContact CD1-CE1 3.55Å; L115-F362 HydrophobicContact CD1-CG 4.2Å; L115-F362 HydrophobicContact CD1-CZ 4.16Å; L115-F362 HydrophobicContact CD2-CB 3.88Å; L115-F362 HydrophobicContact CD2-CD1 3.99Å; L115-F362 HydrophobicContact CD2-CD2 4.42Å; L115-F362 HydrophobicContact CD2-CG 3.85Å; L115-F362 HydrophobicContact CG-CD1 4.38Å; L358-F362 VanDerWaalsContact O-CD2 3.31Å; L358-F362 WeakPolarHBondContact O-CD2 2.96Å; E359-F362 CarbonylContact O-C 3.49Å; E359-F362 PolarHBondContact O-N 3.13Å; E360-F362 PolarHBondContact O-N 2.95Å; F362-E364 PolarHBondContact O-N 3.23Å; F362-F365 HydrophobicContact CB-CB 4.23Å; F362-F365 VanDerWaalsContact O-CB 3.27Å; F362-F365 WeakPolarHBondContact O-CB 3.43Å; F362-F365 PolarHBondContact O-N 2.93Å
363	V	88.1	Confident	77.6	Confident	88 Å²	88	77.3 Å²	77.3	53%	0.533	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.5	178.5	169.2	0	0	0	0	111.6	K110 E359 E360 F365	K110-V363 PolarHBondContact NZ-O 2.81Å; E359-V363 WeakPolarHBondContact O-CG2 3.49Å; E359-V363 PolarHBondContact O-N 2.79Å; E360-V363 WeakPolarHBondContact O-CG2 3.33Å; V363-F365 VanDerWaalsContact C-N 3.27Å; V363-F365 PolarHBondContact O-N 3.05Å
364	E	85.4	Confident	78.3	Confident	127 Å²	127	80 Å²	80	59%	0.593	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.1	-179.4	-63	-167	168.6	0	0	114.9	Q34 F362	Q34-E364 PolarHBondContact NE2-O 3.45Å; Q34-E364 VanDerWaalsContact NE2-O 3.13Å; F362-E364 PolarHBondContact O-N 3.23Å
365	F	89.5	Confident	80	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.409	C	S	.	.			trans	-67.2	0	179.3	-168.6	-79.7	0	0	0	111.8	T87 L88 K91 F109 K110 L115 Y116 M117 F362 V363	T87-F365 HydrophobicContact CG2-CE2 4.2Å; L88-F365 HydrophobicContact CD2-CB 4Å; L88-F365 HydrophobicContact CD2-CD2 4.24Å; K91-F365 HydrophobicContact CB-CD2 4.27Å; K91-F365 HydrophobicContact CB-CE2 3.84Å; K91-F365 HydrophobicContact CB-CZ 4.42Å; K91-F365 WeakPolarHBondContact CE-OXT 3.32Å; K91-F365 HydrophobicContact CG-CD2 4.23Å; K91-F365 HydrophobicContact CG-CE2 3.87Å; K91-F365 HydrophobicContact CG-CZ 4.03Å; K91-F365 PolarHBondContact NZ-OXT 2.9Å; F109-F365 VanDerWaalsContact O-CE1 3.23Å; F109-F365 WeakPolarHBondContact O-CE1 3.33Å; K110-F365 HydrophobicContact CB-CD1 4.23Å; K110-F365 HydrophobicContact CD-CB 4.11Å; K110-F365 PolarHBondContact NZ-O 3.05Å; L115-F365 HydrophobicContact CB-CD1 4.32Å; L115-F365 HydrophobicContact CB-CD2 4.19Å; L115-F365 HydrophobicContact CB-CE1 3.9Å; L115-F365 HydrophobicContact CB-CE2 3.76Å; L115-F365 HydrophobicContact CB-CG 4.46Å; L115-F365 HydrophobicContact CB-CZ 3.6Å; L115-F365 HydrophobicContact CD1-CD2 3.94Å; L115-F365 HydrophobicContact CD1-CE2 4.01Å; L115-F365 HydrophobicContact CD2-CB 4.2Å; L115-F365 HydrophobicContact CD2-CD1 4.01Å; L115-F365 HydrophobicContact CD2-CD2 4.02Å; L115-F365 HydrophobicContact CD2-CE1 4.44Å; L115-F365 HydrophobicContact CD2-CE2 4.44Å; L115-F365 HydrophobicContact CD2-CG 3.79Å; L115-F365 HydrophobicContact CG-CD2 4.27Å; L115-F365 HydrophobicContact CG-CE2 4.29Å; L115-F365 HydrophobicContact CG-CG 4.49Å; Y116-F365 WeakPolarHBondContact O-CE1 3.3Å; M117-F365 HydrophobicContact CG-CE2 4.42Å; M117-F365 HydrophobicContact CG-CZ 3.79Å; F362-F365 HydrophobicContact CB-CB 4.23Å; F362-F365 VanDerWaalsContact O-CB 3.27Å; F362-F365 WeakPolarHBondContact O-CB 3.43Å; F362-F365 PolarHBondContact O-N 2.93Å; V363-F365 VanDerWaalsContact C-N 3.27Å; V363-F365 PolarHBondContact O-N 3.05Å

Retrieved 365 of 365 residues in 2327.9 ms (Link to these results)

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