A0A060W576_ONCMY Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A060W576, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494038, Length 474 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	47.6	Very low	244 Å²	244	139.5 Å²	139.5	100%	1.202	84%	0.844	S	S	*	*				0	101.7	0	-82.3	174.2	160.7	0	0	108.2
2	A	39	Very low	49.8	Very low	103 Å²	103	136.9 Å²	136.9	85%	0.851	82%	0.818	S	S	*	*			trans	-87.6	107.8	177.5	0	0	0	0	0	109	R4	A2-R4 PolarHBondContact O-N 3.3Å
3	T	41.8	Very low	52.3	Low	139 Å²	139	131 Å²	131	85%	0.853	79%	0.787	S	S	*	*			trans	-77.8	105.4	173.3	45.2	0	0	0	0	109.1	G5	T3-G5 PolarHBondContact O-N 3.12Å; T3-G5 VanDerWaalsContact O-N 3.12Å
4	R	43.9	Very low	53.9	Low	235 Å²	235	129.8 Å²	129.8	89%	0.887	77%	0.774	S	S	*	*			trans	-61.5	107.5	168.3	-78.2	179.2	170.9	178.8	-3.3	108.8	A2 H6	A2-R4 PolarHBondContact O-N 3.3Å; R4-H6 PolarHBondContact O-N 3.13Å
5	G	42.3	Very low	55.3	Low	74 Å²	74	128.3 Å²	128.3	76%	0.763	76%	0.756	S	S	*	*			trans	-66.2	111.3	163.8	0	0	0	0	0	109.1	T3 S7	T3-G5 PolarHBondContact O-N 3.12Å; T3-G5 VanDerWaalsContact O-N 3.12Å; G5-S7 PolarHBondContact O-N 3.22Å; G5-S7 VanDerWaalsContact O-N 3.13Å
6	H	44.8	Very low	57	Low	179 Å²	179	123.9 Å²	123.9	83%	0.829	73%	0.731	S	S	*	*			trans	-67	105.1	162.8	-83.9	-0.7	0	0	0	107.9	R4 S8	R4-H6 PolarHBondContact O-N 3.13Å; H6-S8 PolarHBondContact O-N 3.08Å; H6-S8 VanDerWaalsContact O-N 3.08Å
7	S	47.3	Very low	58.1	Low	115 Å²	115	122.7 Å²	122.7	80%	0.804	71%	0.714	S	S	*	*			trans	-61.3	108.5	163.3	58.9	0	0	0	0	107.5	G5 C9	G5-S7 PolarHBondContact O-N 3.22Å; G5-S7 VanDerWaalsContact O-N 3.13Å; S7-C9 PolarHBondContact O-N 3.02Å
8	S	48.9	Very low	58.8	Low	114 Å²	114	120.4 Å²	120.4	80%	0.797	70%	0.696	S	S	*	*			trans	-59.2	105.6	166.4	56.3	0	0	0	0	107.6	H6 S10	H6-S8 PolarHBondContact O-N 3.08Å; H6-S8 VanDerWaalsContact O-N 3.08Å; S8-S10 PolarHBondContact O-N 2.95Å
9	C	47.4	Very low	59.9	Low	122 Å²	122	122.4 Å²	122.4	82%	0.824	69%	0.691	S	S	*	*			trans	-56.2	112.7	168.8	-169	0	0	0	0	106.6	S7 S11	S7-C9 PolarHBondContact O-N 3.02Å; C9-S11 PolarHBondContact O-N 2.98Å
10	S	59.8	Low	61.1	Low	101 Å²	101	120.7 Å²	120.7	71%	0.706	68%	0.682	S	S	*	*			trans	-56.3	112.4	179.5	60.8	0	0	0	0	108.1	S8 M12	S8-S10 PolarHBondContact O-N 2.95Å; S10-M12 PolarHBondContact O-N 3.34Å
11	S	67.5	Low	61.8	Low	109 Å²	109	118.3 Å²	118.3	76%	0.762	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.1	119.9	178.5	71.4	0	0	0	0	108.1	C9 S13	C9-S11 PolarHBondContact O-N 2.98Å; S11-S13 PolarHBondContact O-N 3.05Å
12	M	74.3	Confident	63.4	Low	108 Å²	108	110.7 Å²	110.7	53%	0.532	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-51.5	133.5	-179.2	-69.6	-177.4	67.7	0	0	110.7	S10 T16 K17	S10-M12 PolarHBondContact O-N 3.34Å; M12-T16 HydrophobicContact CE-CG2 3.53Å; M12-K17 HydrophobicContact CB-CG 4.36Å; M12-K17 WeakPolarHBondContact O-CE 3.44Å
13	S	82.6	Confident	65.4	Low	60 Å²	60	108 Å²	108	42%	0.42	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-59.7	147.7	179.9	83.5	0	0	0	0	111.2	S11 H15 T16 K17	S11-S13 PolarHBondContact O-N 3.05Å; S13-H15 PolarHBondContact O-N 3.08Å; S13-T16 PolarHBondContact O-N 2.8Å; S13-T16 PolarHBondContact OG-N 3.08Å; S13-T16 VanDerWaalsContact OG-N 3.08Å; S13-T16 PolarHBondContact OG-OG1 3.03Å; S13-K17 PolarHBondContact O-N 2.89Å
14	N	74	Confident	67.4	Low	114 Å²	114	107.4 Å²	107.4	61%	0.61	60%	0.597	S	S	*	*	H	α-helix	trans	-57.9	-36.7	176.1	-72.2	-14.8	0	0	0	111.6	T16 K17 E18	N14-T16 VanDerWaalsContact C-N 3.35Å; N14-T16 PolarHBondContact O-N 3.05Å; N14-K17 PolarHBondContact O-N 3.4Å; N14-E18 WeakPolarHBondContact O-CG 3.34Å; N14-E18 PolarHBondContact O-N 3.23Å
15	H	76	Confident	68.9	Low	107 Å²	107	98.1 Å²	98.1	50%	0.495	57%	0.566	S	S	.	*	H	α-helix	trans	-58.3	-43.7	173.6	-179.5	69.5	0	0	0	112.7	S13 E18 R19	S13-H15 PolarHBondContact O-N 3.08Å; H15-E18 PolarHBondContact O-N 3.43Å; H15-R19 WeakPolarHBondContact NE2-CD 3.36Å; H15-R19 WeakPolarHBondContact O-CG 3.43Å; H15-R19 PolarHBondContact O-N 3.07Å
16	T	81.3	Confident	70.4	Confident	58 Å²	58	97.7 Å²	97.7	36%	0.356	55%	0.549	S	S	.	.	H	α-helix	trans	-66.1	-41.9	177.2	-48.2	0	0	0	0	111.2	M12 S13 N14 R19 V20	M12-T16 HydrophobicContact CE-CG2 3.53Å; S13-T16 PolarHBondContact O-N 2.8Å; S13-T16 PolarHBondContact OG-N 3.08Å; S13-T16 VanDerWaalsContact OG-N 3.08Å; S13-T16 PolarHBondContact OG-OG1 3.03Å; N14-T16 VanDerWaalsContact C-N 3.35Å; N14-T16 PolarHBondContact O-N 3.05Å; T16-R19 PolarHBondContact O-N 3.29Å; T16-V20 WeakPolarHBondContact O-CG2 3.32Å; T16-V20 PolarHBondContact O-N 3.21Å
17	K	75.9	Confident	72.3	Confident	104 Å²	104	94 Å²	94	45%	0.452	54%	0.535	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.5	-68	174.9	-178	170	0	111.4	M12 S13 N14 V20 T21	M12-K17 HydrophobicContact CB-CG 4.36Å; M12-K17 WeakPolarHBondContact O-CE 3.44Å; S13-K17 PolarHBondContact O-N 2.89Å; N14-K17 PolarHBondContact O-N 3.4Å; K17-V20 PolarHBondContact O-N 3.47Å; K17-T21 PolarHBondContact O-N 3.02Å; K17-T21 PolarHBondContact O-OG1 2.89Å; K17-T21 VanDerWaalsContact O-OG1 3.05Å
18	E	71.8	Confident	73.9	Confident	81 Å²	81	93.2 Å²	93.2	38%	0.379	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-44.6	177.1	-74.7	168.1	-174.1	0	0	112.2	N14 H15 V20 T21 M22 N443	N14-E18 WeakPolarHBondContact O-CG 3.34Å; N14-E18 PolarHBondContact O-N 3.23Å; H15-E18 PolarHBondContact O-N 3.43Å; E18-V20 VanDerWaalsContact C-N 3.34Å; E18-V20 PolarHBondContact O-N 3.47Å; E18-T21 PolarHBondContact O-N 2.97Å; E18-M22 WeakPolarHBondContact O-CB 3.41Å; E18-M22 PolarHBondContact O-N 3.04Å; E18-N443 PolarHBondContact OE2-ND2 2.92Å; E18-N443 PolarHBondContact OE2-OD1 3.4Å
19	R	79.6	Confident	75.1	Confident	159 Å²	159	89.7 Å²	89.7	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-63.2	-38.3	176.6	-74.8	-166.6	67.6	-177.4	0.5	113	H15 T16 M22 A23	H15-R19 WeakPolarHBondContact NE2-CD 3.36Å; H15-R19 WeakPolarHBondContact O-CG 3.43Å; H15-R19 PolarHBondContact O-N 3.07Å; T16-R19 PolarHBondContact O-N 3.29Å; R19-M22 PolarHBondContact O-N 3.46Å; R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 2.96Å
20	V	83.6	Confident	76.7	Confident	87 Å²	87	89.7 Å²	89.7	53%	0.527	48%	0.477	S	S	.	.	H	α-helix	trans	-65.3	-45	175	170.6	0	0	0	0	110.3	T16 K17 E18 M22 A23 K24	T16-V20 WeakPolarHBondContact O-CG2 3.32Å; T16-V20 PolarHBondContact O-N 3.21Å; K17-V20 PolarHBondContact O-N 3.47Å; E18-V20 VanDerWaalsContact C-N 3.34Å; E18-V20 PolarHBondContact O-N 3.47Å; V20-M22 PolarHBondContact O-N 3.12Å; V20-A23 PolarHBondContact O-N 3.46Å; V20-K24 WeakPolarHBondContact O-CB 3.42Å; V20-K24 PolarHBondContact O-N 3.47Å
21	T	76	Confident	77.9	Confident	72 Å²	72	91.6 Å²	91.6	44%	0.442	47%	0.47	S	S	.	.	H	α-helix	trans	-58.8	-46.6	174.9	-58.6	0	0	0	0	111.4	K17 E18 A23 K24 V25	K17-T21 PolarHBondContact O-N 3.02Å; K17-T21 PolarHBondContact O-OG1 2.89Å; K17-T21 VanDerWaalsContact O-OG1 3.05Å; E18-T21 PolarHBondContact O-N 2.97Å; T21-A23 PolarHBondContact O-N 2.93Å; T21-K24 PolarHBondContact O-N 3.3Å; T21-V25 HydrophobicContact CG2-CG2 4.42Å; T21-V25 WeakPolarHBondContact O-CB 3.46Å; T21-V25 VanDerWaalsContact O-CG2 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.44Å; T21-V25 PolarHBondContact O-N 3.48Å
22	M	74.2	Confident	78.5	Confident	83 Å²	83	90 Å²	90	41%	0.409	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-44.5	177.5	-174.9	-171.5	73.7	0	0	111.9	E18 R19 V20 T26 W446 I449	E18-M22 WeakPolarHBondContact O-CB 3.41Å; E18-M22 PolarHBondContact O-N 3.04Å; R19-M22 PolarHBondContact O-N 3.46Å; V20-M22 PolarHBondContact O-N 3.12Å; M22-T26 VanDerWaalsContact O-CB 3.25Å; M22-T26 WeakPolarHBondContact O-CB 3.34Å; M22-T26 PolarHBondContact O-N 3.06Å; M22-T26 PolarHBondContact O-OG1 3.11Å; M22-W446 HydrophobicContact CG-CB 4.37Å; M22-I449 HydrophobicContact CG-CD1 4.17Å
23	A	81.4	Confident	78.6	Confident	48 Å²	48	88 Å²	88	40%	0.397	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-44.7	178.1	0	0	0	0	0	111.5	R19 V20 T21 T26 L27	R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 2.96Å; V20-A23 PolarHBondContact O-N 3.46Å; T21-A23 PolarHBondContact O-N 2.93Å; A23-T26 PolarHBondContact O-N 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.47Å
24	K	83.1	Confident	78.6	Confident	125 Å²	125	89.5 Å²	89.5	54%	0.543	45%	0.453	S	S	.	.	H	α-helix	trans	-57.3	-55.1	175.6	178.9	-179.5	173	-178	0	111.2	V20 T21 T26 L27 E28	V20-K24 WeakPolarHBondContact O-CB 3.42Å; V20-K24 PolarHBondContact O-N 3.47Å; T21-K24 PolarHBondContact O-N 3.3Å; K24-T26 VanDerWaalsContact C-N 3.26Å; K24-T26 PolarHBondContact O-N 2.7Å; K24-L27 PolarHBondContact O-N 3.05Å; K24-E28 WeakPolarHBondContact CE-OE1 3.43Å; K24-E28 HydrophobicContact CG-CG 4.42Å; K24-E28 IonicContact NZ-OE1 2.78Å; K24-E28 WeakPolarHBondContact O-CG 3.04Å; K24-E28 PolarHBondContact O-N 2.96Å
25	V	74.1	Confident	79.2	Confident	40 Å²	40	88.7 Å²	88.7	24%	0.242	45%	0.447	C	S	.	.	H	α-helix	trans	-59.1	-39.9	-180	169.6	0	0	0	0	110.9	T21 N29	T21-V25 HydrophobicContact CG2-CG2 4.42Å; T21-V25 WeakPolarHBondContact O-CB 3.46Å; T21-V25 VanDerWaalsContact O-CG2 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.44Å; T21-V25 PolarHBondContact O-N 3.48Å; V25-N29 VanDerWaalsContact CG1-ND2 3.3Å; V25-N29 WeakPolarHBondContact CG1-ND2 3.36Å; V25-N29 WeakPolarHBondContact O-CB 3.13Å; V25-N29 PolarHBondContact O-N 3.43Å; V25-N29 PolarHBondContact O-ND2 2.92Å
26	T	75.8	Confident	79.4	Confident	65 Å²	65	85.9 Å²	85.9	40%	0.399	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-42.7	178.8	-60	0	0	0	0	112	M22 A23 K24 F30	M22-T26 VanDerWaalsContact O-CB 3.25Å; M22-T26 WeakPolarHBondContact O-CB 3.34Å; M22-T26 PolarHBondContact O-N 3.06Å; M22-T26 PolarHBondContact O-OG1 3.11Å; A23-T26 PolarHBondContact O-N 3.32Å; K24-T26 VanDerWaalsContact C-N 3.26Å; K24-T26 PolarHBondContact O-N 2.7Å; T26-F30 WeakPolarHBondContact O-CB 3.36Å; T26-F30 PolarHBondContact O-N 3.25Å
27	L	84.6	Confident	79.4	Confident	103 Å²	103	86.5 Å²	86.5	54%	0.539	44%	0.438	S	S	.	.	H	α-helix	trans	-69.4	-45.8	178.4	-74	170.3	0	0	0	112.2	A23 K24 N29 F30 Y31	A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.47Å; K24-L27 PolarHBondContact O-N 3.05Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.47Å; L27-F30 PolarHBondContact O-N 2.78Å; L27-Y31 WeakPolarHBondContact O-CD2 3.45Å; L27-Y31 PolarHBondContact O-N 3.17Å; L27-Y31 VanDerWaalsContact O-N 3.09Å
28	E	81.1	Confident	79.9	Confident	98 Å²	98	86.8 Å²	86.8	46%	0.458	44%	0.441	S	S	.	.	H	α-helix	trans	-56.5	-49.7	175.4	-72.8	174.1	164.1	0	0	109.9	K24 F30 Y31 S32	K24-E28 WeakPolarHBondContact CE-OE1 3.43Å; K24-E28 HydrophobicContact CG-CG 4.42Å; K24-E28 IonicContact NZ-OE1 2.78Å; K24-E28 WeakPolarHBondContact O-CG 3.04Å; K24-E28 PolarHBondContact O-N 2.96Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.34Å; E28-Y31 PolarHBondContact O-N 3.21Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.32Å; E28-S32 PolarHBondContact O-OG 2.88Å; E28-S32 VanDerWaalsContact O-OG 3.1Å
29	N	73.5	Confident	80.6	Confident	40 Å²	40	88.1 Å²	88.1	21%	0.214	45%	0.447	C	S	.	.	H	α-helix	trans	-60.7	-40.4	176.8	-73.9	-29.7	0	0	0	113	V25 L27 N33 N450	V25-N29 VanDerWaalsContact CG1-ND2 3.3Å; V25-N29 WeakPolarHBondContact CG1-ND2 3.36Å; V25-N29 WeakPolarHBondContact O-CB 3.13Å; V25-N29 PolarHBondContact O-N 3.43Å; V25-N29 PolarHBondContact O-ND2 2.92Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.47Å; N29-N33 WeakPolarHBondContact O-CB 3.38Å; N29-N33 PolarHBondContact O-N 2.94Å; N29-N33 PolarHBondContact O-ND2 2.85Å; N29-N450 WeakPolarHBondContact CB-ND2 3.04Å; N29-N450 PolarHBondContact ND2-ND2 3.22Å; N29-N450 VanDerWaalsContact ND2-ND2 3.13Å; N29-N450 PolarHBondContact OD1-ND2 3.34Å
30	F	81.3	Confident	80.9	Confident	122 Å²	122	83.9 Å²	83.9	54%	0.535	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-50.7	179	176.5	-96.7	0	0	0	111.4	T26 L27 E28 L34	T26-F30 WeakPolarHBondContact O-CB 3.36Å; T26-F30 PolarHBondContact O-N 3.25Å; L27-F30 PolarHBondContact O-N 2.78Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.34Å; F30-L34 HydrophobicContact CE1-CD2 4.49Å; F30-L34 WeakPolarHBondContact O-CB 3.31Å; F30-L34 PolarHBondContact O-N 3.12Å
31	Y	85.4	Confident	81	Confident	141 Å²	141	84.9 Å²	84.9	55%	0.553	43%	0.429	S	S	*	.	H	α-helix	trans	-71.6	-40.8	-178.7	-76.8	-71.4	0	0	0	112.7	L27 E28 N33 L34 I35	L27-Y31 WeakPolarHBondContact O-CD2 3.45Å; L27-Y31 PolarHBondContact O-N 3.17Å; L27-Y31 VanDerWaalsContact O-N 3.09Å; E28-Y31 PolarHBondContact O-N 3.21Å; Y31-N33 VanDerWaalsContact C-N 3.34Å; Y31-N33 PolarHBondContact O-N 2.98Å; Y31-L34 HydrophobicContact CD1-CD2 4.44Å; Y31-L34 WeakPolarHBondContact O-CB 3.46Å; Y31-L34 PolarHBondContact O-N 3.2Å; Y31-I35 WeakPolarHBondContact O-CG1 3.41Å; Y31-I35 PolarHBondContact O-N 3.15Å
32	S	78.4	Confident	81.6	Confident	74 Å²	74	85 Å²	85	52%	0.517	42%	0.424	S	S	.	.	H	α-helix	trans	-59.5	-44.8	174.2	-65.6	0	0	0	0	111.7	E28 L34 I35 S36	E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.32Å; E28-S32 PolarHBondContact O-OG 2.88Å; E28-S32 VanDerWaalsContact O-OG 3.1Å; S32-L34 VanDerWaalsContact C-N 3.35Å; S32-L34 PolarHBondContact O-N 2.86Å; S32-I35 PolarHBondContact O-N 2.81Å; S32-S36 WeakPolarHBondContact O-CB 3.25Å; S32-S36 PolarHBondContact O-N 3.35Å
33	N	76.5	Confident	82.3	Confident	67 Å²	67	86.2 Å²	86.2	36%	0.358	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-39.4	175.5	-74	-28.5	0	0	0	111.7	N29 Y31 I35 Q37	N29-N33 WeakPolarHBondContact O-CB 3.38Å; N29-N33 PolarHBondContact O-N 2.94Å; N29-N33 PolarHBondContact O-ND2 2.85Å; Y31-N33 VanDerWaalsContact C-N 3.34Å; Y31-N33 PolarHBondContact O-N 2.98Å; N33-I35 VanDerWaalsContact C-N 3.34Å; N33-I35 PolarHBondContact O-N 2.76Å; N33-Q37 VanDerWaalsContact O-CB 3.29Å; N33-Q37 WeakPolarHBondContact O-CB 3.39Å; N33-Q37 WeakPolarHBondContact O-CG 3.2Å; N33-Q37 PolarHBondContact O-N 3.02Å
34	L	83.6	Confident	82.7	Confident	92 Å²	92	86.3 Å²	86.3	48%	0.482	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-43.9	178.9	-174	68.1	0	0	0	111.6	F30 Y31 S32 H38	F30-L34 HydrophobicContact CE1-CD2 4.49Å; F30-L34 WeakPolarHBondContact O-CB 3.31Å; F30-L34 PolarHBondContact O-N 3.12Å; Y31-L34 HydrophobicContact CD1-CD2 4.44Å; Y31-L34 WeakPolarHBondContact O-CB 3.46Å; Y31-L34 PolarHBondContact O-N 3.2Å; S32-L34 VanDerWaalsContact C-N 3.35Å; S32-L34 PolarHBondContact O-N 2.86Å; L34-H38 PolarHBondContact O-N 3.35Å
35	I	85.6	Confident	83	Confident	96 Å²	96	84.4 Å²	84.4	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-53.3	177.9	-65.9	166.1	0	0	0	110.4	Y31 S32 N33 Q37 H38 E39	Y31-I35 WeakPolarHBondContact O-CG1 3.41Å; Y31-I35 PolarHBondContact O-N 3.15Å; S32-I35 PolarHBondContact O-N 2.81Å; N33-I35 VanDerWaalsContact C-N 3.34Å; N33-I35 PolarHBondContact O-N 2.76Å; I35-Q37 PolarHBondContact O-N 3.35Å; I35-H38 WeakPolarHBondContact O-CB 3.14Å; I35-H38 PolarHBondContact O-N 3.17Å; I35-E39 HydrophobicContact CG2-CG 4.4Å; I35-E39 PolarHBondContact O-N 3.33Å
36	S	80.9	Confident	83.9	Confident	48 Å²	48	87.3 Å²	87.3	34%	0.336	42%	0.424	S	S	.	.	H	α-helix	trans	-54.7	-40.7	179	-172.4	0	0	0	0	111.8	S32 H38 E39 E40	S32-S36 WeakPolarHBondContact O-CB 3.25Å; S32-S36 PolarHBondContact O-N 3.35Å; S36-H38 VanDerWaalsContact C-N 3.34Å; S36-H38 PolarHBondContact O-N 3.3Å; S36-E39 PolarHBondContact O-N 3.14Å; S36-E40 WeakPolarHBondContact O-CB 3.43Å; S36-E40 VanDerWaalsContact O-CG 3.25Å; S36-E40 WeakPolarHBondContact O-CG 3.29Å; S36-E40 PolarHBondContact O-N 3.47Å; S36-E40 PolarHBondContact OG-OE1 2.92Å
37	Q	81.9	Confident	84.5	Confident	71 Å²	71	90.7 Å²	90.7	33%	0.332	43%	0.433	S	S	.	.	H	α-helix	trans	-67.7	-33.5	178.9	-72.7	178.9	43	0	0	113.5	N33 I35 R41 K80	N33-Q37 VanDerWaalsContact O-CB 3.29Å; N33-Q37 WeakPolarHBondContact O-CB 3.39Å; N33-Q37 WeakPolarHBondContact O-CG 3.2Å; N33-Q37 PolarHBondContact O-N 3.02Å; I35-Q37 PolarHBondContact O-N 3.35Å; Q37-R41 WeakPolarHBondContact O-CB 3.32Å; Q37-R41 PolarHBondContact O-N 2.92Å; Q37-K80 VanDerWaalsContact CG-NZ 3.29Å; Q37-K80 VanDerWaalsContact OE1-NZ 3.11Å
38	H	85.6	Confident	84.8	Confident	111 Å²	111	87.3 Å²	87.3	51%	0.514	42%	0.416	S	S	.	.	H	α-helix	trans	-69.1	-48.3	174.3	177.9	52.3	0	0	0	110.5	L34 I35 S36 E40 R41 E42	L34-H38 PolarHBondContact O-N 3.35Å; I35-H38 WeakPolarHBondContact O-CB 3.14Å; I35-H38 PolarHBondContact O-N 3.17Å; S36-H38 VanDerWaalsContact C-N 3.34Å; S36-H38 PolarHBondContact O-N 3.3Å; H38-E40 PolarHBondContact O-N 2.67Å; H38-R41 WeakPolarHBondContact O-CB 3.42Å; H38-R41 PolarHBondContact O-N 2.94Å; H38-R41 VanDerWaalsContact O-N 3.13Å; H38-E42 IonicContact CE1-OE1 2.67Å; H38-E42 WeakPolarHBondContact O-CG 3Å; H38-E42 PolarHBondContact O-N 2.96Å
39	E	86.9	Confident	85.3	Confident	108 Å²	108	84.7 Å²	84.7	51%	0.505	40%	0.404	S	S	.	.	H	α-helix	trans	-59	-46	177.8	-68.8	175.3	167	0	0	112.2	I35 S36 R41 E42 M43	I35-E39 HydrophobicContact CG2-CG 4.4Å; I35-E39 PolarHBondContact O-N 3.33Å; S36-E39 PolarHBondContact O-N 3.14Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.06Å; E39-E42 PolarHBondContact O-N 3.13Å; E39-M43 WeakPolarHBondContact O-CB 3.19Å; E39-M43 WeakPolarHBondContact O-CG 3.37Å; E39-M43 PolarHBondContact O-N 2.94Å
40	E	84.6	Confident	86.2	Confident	71 Å²	71	89.8 Å²	89.8	33%	0.332	42%	0.42	S	S	.	.	H	α-helix	trans	-58.5	-38.8	175.6	-79.2	173.9	-155.9	0	0	112.7	S36 H38 R44	S36-E40 WeakPolarHBondContact O-CB 3.43Å; S36-E40 VanDerWaalsContact O-CG 3.25Å; S36-E40 WeakPolarHBondContact O-CG 3.29Å; S36-E40 PolarHBondContact O-N 3.47Å; S36-E40 PolarHBondContact OG-OE1 2.92Å; H38-E40 PolarHBondContact O-N 2.67Å; E40-R44 WeakPolarHBondContact O-CG 3.5Å; E40-R44 PolarHBondContact O-N 3.27Å; E40-R44 PolarHBondContact O-NH1 2.54Å; E40-R44 IonicContact OE2-NH1 3.02Å
41	R	86.3	Confident	86.6	Confident	108 Å²	108	86.2 Å²	86.2	41%	0.408	41%	0.408	S	S	.	.	H	α-helix	trans	-69	-44.7	179	-179.1	177.9	178.2	-160	-2.5	111.4	Q37 H38 E39 R44 Q45 E73	Q37-R41 WeakPolarHBondContact O-CB 3.32Å; Q37-R41 PolarHBondContact O-N 2.92Å; H38-R41 WeakPolarHBondContact O-CB 3.42Å; H38-R41 PolarHBondContact O-N 2.94Å; H38-R41 VanDerWaalsContact O-N 3.13Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.06Å; R41-R44 PolarHBondContact O-N 2.72Å; R41-Q45 PolarHBondContact O-N 2.73Å; R41-E73 IonicContact NE-OE2 2.79Å
42	E	89.4	Confident	86.9	Confident	73 Å²	73	79.5 Å²	79.5	34%	0.341	38%	0.382	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.6	-70.7	-63.9	129.2	0	0	110.8	H38 E39 R44 Q45 Q46	H38-E42 IonicContact CE1-OE1 2.67Å; H38-E42 WeakPolarHBondContact O-CG 3Å; H38-E42 PolarHBondContact O-N 2.96Å; E39-E42 PolarHBondContact O-N 3.13Å; E42-R44 PolarHBondContact O-N 3.23Å; E42-Q45 PolarHBondContact O-N 3.09Å; E42-Q46 VanDerWaalsContact O-CG 3.31Å; E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 3.11Å
43	M	88.3	Confident	87.4	Confident	109 Å²	109	80.5 Å²	80.5	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-42.1	177.1	-78.5	-168.1	-76.2	0	0	112.8	E39 Q46 K47	E39-M43 WeakPolarHBondContact O-CB 3.19Å; E39-M43 WeakPolarHBondContact O-CG 3.37Å; E39-M43 PolarHBondContact O-N 2.94Å; M43-Q46 PolarHBondContact O-N 3.23Å; M43-K47 WeakPolarHBondContact O-CB 3.33Å; M43-K47 PolarHBondContact O-N 3.27Å
44	R	90.1	Very high	88.1	Confident	50 Å²	50	84.8 Å²	84.8	19%	0.189	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-42	176	-77.2	-170.7	-61.1	-85.2	-3.6	111.9	E40 R41 E42 K47 L48 E73	E40-R44 WeakPolarHBondContact O-CG 3.5Å; E40-R44 PolarHBondContact O-N 3.27Å; E40-R44 PolarHBondContact O-NH1 2.54Å; E40-R44 IonicContact OE2-NH1 3.02Å; R41-R44 PolarHBondContact O-N 2.72Å; E42-R44 PolarHBondContact O-N 3.23Å; R44-K47 PolarHBondContact O-N 3.02Å; R44-L48 PolarHBondContact O-N 2.81Å; R44-E73 IonicContact CZ-OE1 3.51Å; R44-E73 IonicContact NE-OE1 3.98Å; R44-E73 PolarHBondContact NE-OE1 3.31Å; R44-E73 IonicContact NH2-OE1 2.65Å; R44-E73 PolarHBondContact NH2-OE1 2.75Å; R44-E73 IonicContact NH2-OE2 2.59Å; R44-E73 PolarHBondContact NH2-OE2 2.9Å
45	Q	89.7	Confident	88.5	Confident	85 Å²	85	85.2 Å²	85.2	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.2	-177.5	172.8	-5.4	0	0	111.3	R41 E42 K47 L48 E49	R41-Q45 PolarHBondContact O-N 2.73Å; E42-Q45 PolarHBondContact O-N 3.09Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 3.3Å; Q45-L48 WeakPolarHBondContact O-CB 3.29Å; Q45-L48 PolarHBondContact O-N 3.43Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; Q45-E49 WeakPolarHBondContact O-CG 3.31Å; Q45-E49 PolarHBondContact O-N 3.07Å
46	Q	91.8	Very high	88.6	Confident	102 Å²	102	83.5 Å²	83.5	48%	0.477	41%	0.405	S	S	.	.	H	α-helix	trans	-61.9	-36.4	177.3	-70.4	172.9	15.9	0	0	112.7	E42 M43 R50	E42-Q46 VanDerWaalsContact O-CG 3.31Å; E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 3.11Å; M43-Q46 PolarHBondContact O-N 3.23Å; Q46-R50 WeakPolarHBondContact O-CG 3.15Å; Q46-R50 PolarHBondContact O-N 3.03Å
47	K	89.8	Confident	89	Confident	135 Å²	135	82.5 Å²	82.5	59%	0.587	40%	0.395	S	S	*	.	H	α-helix	trans	-64.2	-43.1	174.4	-171.7	178.8	-175.4	179.2	0	111.1	M43 R44 Q45 R50 V51	M43-K47 WeakPolarHBondContact O-CB 3.33Å; M43-K47 PolarHBondContact O-N 3.27Å; R44-K47 PolarHBondContact O-N 3.02Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 3.3Å; K47-R50 PolarHBondContact O-N 2.98Å; K47-V51 WeakPolarHBondContact O-CG2 3.35Å; K47-V51 PolarHBondContact O-N 2.54Å
48	L	89.8	Confident	89.5	Confident	33 Å²	33	83.1 Å²	83.1	17%	0.173	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-48.5	175.9	178.4	69.3	0	0	0	111.5	R44 Q45 R50 V51 M52 R65 H69	R44-L48 PolarHBondContact O-N 2.81Å; Q45-L48 WeakPolarHBondContact O-CB 3.29Å; Q45-L48 PolarHBondContact O-N 3.43Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; L48-R50 PolarHBondContact O-N 3.13Å; L48-V51 PolarHBondContact O-N 3.37Å; L48-M52 HydrophobicContact CD1-CG 4.28Å; L48-M52 HydrophobicContact CD1-SD 4.27Å; L48-M52 HydrophobicContact CD2-CE 4.38Å; L48-M52 HydrophobicContact CG-CE 3.96Å; L48-M52 HydrophobicContact CG-CG 4.42Å; L48-M52 HydrophobicContact CG-SD 4.11Å; L48-M52 VanDerWaalsContact O-CG 3.28Å; L48-M52 WeakPolarHBondContact O-CG 3.42Å; L48-M52 PolarHBondContact O-N 3.19Å; L48-R65 HydrophobicContact CD1-CB 4.48Å; L48-H69 HydrophobicContact CD2-CB 3.45Å; L48-H69 VanDerWaalsContact CD2-CB 3.45Å
49	E	91.8	Very high	89.7	Confident	42 Å²	42	84.1 Å²	84.1	20%	0.196	42%	0.415	C	S	.	.	H	α-helix	trans	-59.2	-46.6	179.3	-63.8	-59.8	153.4	0	0	111.5	Q45 V51 M52 D53 R66	Q45-E49 WeakPolarHBondContact O-CG 3.31Å; Q45-E49 PolarHBondContact O-N 3.07Å; E49-V51 PolarHBondContact O-N 3.46Å; E49-M52 VanDerWaalsContact CD-CE 3.41Å; E49-M52 HydrophobicContact CG-CE 4.4Å; E49-M52 PolarHBondContact O-N 2.64Å; E49-M52 WeakPolarHBondContact OE2-CE 2.8Å; E49-D53 PolarHBondContact O-N 2.93Å; E49-R66 IonicContact OE1-CZ 3.19Å; E49-R66 IonicContact OE1-NE 2.77Å; E49-R66 PolarHBondContact OE1-NE 3.16Å; E49-R66 IonicContact OE1-NH2 2.79Å; E49-R66 IonicContact OE2-CZ 3.76Å; E49-R66 IonicContact OE2-NE 3.09Å; E49-R66 PolarHBondContact OE2-NE 3.36Å; E49-R66 IonicContact OE2-NH2 2.7Å; E49-R66 PolarHBondContact OE2-NH2 2.77Å
50	R	91.9	Very high	89.9	Confident	147 Å²	147	86.9 Å²	86.9	56%	0.555	43%	0.428	S	S	*	.	H	α-helix	trans	-57	-49.4	175.8	-78.9	-173.9	-73.1	175.5	-4.6	113	Q46 K47 L48 M52 D53 E54	Q46-R50 WeakPolarHBondContact O-CG 3.15Å; Q46-R50 PolarHBondContact O-N 3.03Å; K47-R50 PolarHBondContact O-N 2.98Å; L48-R50 PolarHBondContact O-N 3.13Å; R50-M52 VanDerWaalsContact C-N 3.3Å; R50-M52 PolarHBondContact O-N 2.96Å; R50-D53 PolarHBondContact O-N 3.45Å; R50-E54 WeakPolarHBondContact O-CB 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.37Å; R50-E54 PolarHBondContact O-N 2.92Å
51	V	89.8	Confident	90.1	Very high	48 Å²	48	88 Å²	88	29%	0.291	43%	0.433	S	S	.	.	H	α-helix	trans	-61.6	-40.4	179.1	171	0	0	0	0	111.3	K47 L48 E49 D53 E55	K47-V51 WeakPolarHBondContact O-CG2 3.35Å; K47-V51 PolarHBondContact O-N 2.54Å; L48-V51 PolarHBondContact O-N 3.37Å; E49-V51 PolarHBondContact O-N 3.46Å; V51-D53 VanDerWaalsContact C-N 3.32Å; V51-D53 PolarHBondContact O-N 3.09Å; V51-E55 HydrophobicContact CG1-CG 4.49Å; V51-E55 WeakPolarHBondContact O-CB 3.37Å; V51-E55 WeakPolarHBondContact O-CG 3.34Å; V51-E55 PolarHBondContact O-N 3.37Å
52	M	91.5	Very high	90.2	Very high	0 Å²	0	84.3 Å²	84.3	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-67.2	-32.9	177.7	-70.5	-172.2	-52.6	0	0	113	L48 E49 R50 G56 L57 K62 R65 R66	L48-M52 HydrophobicContact CD1-CG 4.28Å; L48-M52 HydrophobicContact CD1-SD 4.27Å; L48-M52 HydrophobicContact CD2-CE 4.38Å; L48-M52 HydrophobicContact CG-CE 3.96Å; L48-M52 HydrophobicContact CG-CG 4.42Å; L48-M52 HydrophobicContact CG-SD 4.11Å; L48-M52 VanDerWaalsContact O-CG 3.28Å; L48-M52 WeakPolarHBondContact O-CG 3.42Å; L48-M52 PolarHBondContact O-N 3.19Å; E49-M52 VanDerWaalsContact CD-CE 3.41Å; E49-M52 HydrophobicContact CG-CE 4.4Å; E49-M52 PolarHBondContact O-N 2.64Å; E49-M52 WeakPolarHBondContact OE2-CE 2.8Å; R50-M52 VanDerWaalsContact C-N 3.3Å; R50-M52 PolarHBondContact O-N 2.96Å; M52-G56 PolarHBondContact O-N 2.92Å; M52-L57 HydrophobicContact CB-CD1 4.15Å; M52-L57 HydrophobicContact CG-CD1 3.97Å; M52-L57 PolarHBondContact O-N 2.93Å; M52-K62 HydrophobicContact CB-CD 4.5Å; M52-K62 HydrophobicContact CB-CG 4.22Å; M52-K62 WeakPolarHBondContact O-CE 3.37Å; M52-K62 HydrophobicContact SD-CB 4.12Å; M52-K62 HydrophobicContact SD-CG 4.21Å; M52-R65 HydrophobicContact SD-CB 3.63Å; M52-R65 HydrophobicContact SD-CG 4.46Å; M52-R66 HydrophobicContact CE-CG 3.91Å
53	D	89.6	Confident	90.3	Very high	94 Å²	94	84.6 Å²	84.6	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-75.2	-42.2	176.3	-71.1	-21.7	0	0	0	111.8	E49 R50 V51 E55 G56 K62	E49-D53 PolarHBondContact O-N 2.93Å; R50-D53 PolarHBondContact O-N 3.45Å; V51-D53 VanDerWaalsContact C-N 3.32Å; V51-D53 PolarHBondContact O-N 3.09Å; D53-E55 PolarHBondContact O-N 3.1Å; D53-G56 PolarHBondContact O-N 3.34Å; D53-G56 VanDerWaalsContact O-N 3.09Å; D53-K62 IonicContact OD1-NZ 2.64Å; D53-K62 PolarHBondContact OD1-NZ 3.05Å
54	E	92.3	Very high	90.4	Very high	157 Å²	157	84.7 Å²	84.7	73%	0.734	43%	0.429	S	S	*	.	H	α-helix	trans	-62.4	-39.6	175.4	-74	169.8	-172	0	0	112.4	R50 G56	R50-E54 WeakPolarHBondContact O-CB 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.37Å; R50-E54 PolarHBondContact O-N 2.92Å; E54-G56 PolarHBondContact O-N 3.19Å
55	E	90.6	Very high	90.3	Very high	102 Å²	102	85.4 Å²	85.4	48%	0.477	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.6	175.3	-73.1	178.7	-170.9	0	0	113.2	V51 D53 L57 R65	V51-E55 HydrophobicContact CG1-CG 4.49Å; V51-E55 WeakPolarHBondContact O-CB 3.37Å; V51-E55 WeakPolarHBondContact O-CG 3.34Å; V51-E55 PolarHBondContact O-N 3.37Å; D53-E55 PolarHBondContact O-N 3.1Å; E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 HydrophobicContact CB-CD1 4.33Å; E55-L57 HydrophobicContact CB-CD2 3.95Å; E55-L57 HydrophobicContact CB-CG 3.77Å; E55-L57 PolarHBondContact O-N 3.16Å; E55-R65 IonicContact OE1-NH1 3.86Å; E55-R65 IonicContact OE2-CZ 3.55Å; E55-R65 IonicContact OE2-NH1 3.53Å; E55-R65 PolarHBondContact OE2-NH1 3.23Å; E55-R65 IonicContact OE2-NH2 2.73Å; E55-R65 PolarHBondContact OE2-NH2 2.81Å
56	G	88.9	Confident	90.4	Very high	60 Å²	60	86.4 Å²	86.4	62%	0.619	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	33.4	178.7	0	0	0	0	0	113.9	M52 D53 E54	M52-G56 PolarHBondContact O-N 2.92Å; D53-G56 PolarHBondContact O-N 3.34Å; D53-G56 VanDerWaalsContact O-N 3.09Å; E54-G56 PolarHBondContact O-N 3.19Å
57	L	89	Confident	90.3	Very high	26 Å²	26	85.3 Å²	85.3	14%	0.136	44%	0.436	C	S	.	.			trans	-66.8	147.4	-171	-61	173.7	0	0	0	112.6	M52 E55 E61 K62	M52-L57 HydrophobicContact CB-CD1 4.15Å; M52-L57 HydrophobicContact CG-CD1 3.97Å; M52-L57 PolarHBondContact O-N 2.93Å; E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 HydrophobicContact CB-CD1 4.33Å; E55-L57 HydrophobicContact CB-CD2 3.95Å; E55-L57 HydrophobicContact CB-CG 3.77Å; E55-L57 PolarHBondContact O-N 3.16Å; L57-E61 HydrophobicContact CD1-CG 4.46Å; L57-K62 HydrophobicContact CB-CG 4.01Å; L57-K62 WeakPolarHBondContact O-CE 3.36Å
58	P	91.8	Very high	90.2	Very high	85 Å²	85	83.3 Å²	83.3	55%	0.552	43%	0.428	S	S	*	.			trans	-61.5	152.6	171.3	-19.1	30.8	0	0	0	112.5	E60 E61 K62	P58-E60 PolarHBondContact O-N 3.33Å; P58-E61 PolarHBondContact O-N 2.79Å; P58-K62 PolarHBondContact O-N 3.24Å
59	D	89.8	Confident	90.1	Very high	132 Å²	132	83.2 Å²	83.2	71%	0.706	43%	0.427	S	S	*	.	H	α-helix	trans	-57.1	-35	-177.5	-74.4	-27.7	0	0	0	113.8	K62 C63	D59-K62 PolarHBondContact O-N 2.93Å; D59-C63 WeakPolarHBondContact O-CB 3.42Å; D59-C63 PolarHBondContact O-N 3Å
60	E	90.6	Very high	89.9	Confident	166 Å²	166	83.7 Å²	83.7	78%	0.776	44%	0.438	S	S	*	.	H	α-helix	trans	-64.2	-42.8	177	-170.7	171	-166.2	0	0	111.5	P58 C63 M64	P58-E60 PolarHBondContact O-N 3.33Å; E60-C63 WeakPolarHBondContact O-CB 3.35Å; E60-C63 PolarHBondContact O-N 3.18Å; E60-M64 WeakPolarHBondContact O-CG 3.15Å; E60-M64 PolarHBondContact O-N 3.21Å
61	E	89.3	Confident	89.6	Confident	95 Å²	95	84.7 Å²	84.7	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-72.3	-36.5	177.8	-172.3	143.7	-178.8	0	0	111.9	L57 P58 C63 M64 R65	L57-E61 HydrophobicContact CD1-CG 4.46Å; P58-E61 PolarHBondContact O-N 2.79Å; E61-C63 VanDerWaalsContact C-N 3.32Å; E61-C63 PolarHBondContact O-N 3.22Å; E61-M64 PolarHBondContact O-N 3.15Å; E61-R65 PolarHBondContact O-N 2.84Å
62	K	89.5	Confident	89.3	Confident	29 Å²	29	86.6 Å²	86.6	13%	0.126	45%	0.446	C	S	.	.	H	α-helix	trans	-58.2	-45.3	170.2	-67.5	-170.8	176	-176.2	0	111.2	M52 D53 L57 P58 D59 M64 R65 R66	M52-K62 HydrophobicContact CB-CD 4.5Å; M52-K62 HydrophobicContact CB-CG 4.22Å; M52-K62 WeakPolarHBondContact O-CE 3.37Å; M52-K62 HydrophobicContact SD-CB 4.12Å; M52-K62 HydrophobicContact SD-CG 4.21Å; D53-K62 IonicContact OD1-NZ 2.64Å; D53-K62 PolarHBondContact OD1-NZ 3.05Å; L57-K62 HydrophobicContact CB-CG 4.01Å; L57-K62 WeakPolarHBondContact O-CE 3.36Å; P58-K62 PolarHBondContact O-N 3.24Å; D59-K62 PolarHBondContact O-N 2.93Å; K62-M64 PolarHBondContact O-N 3.05Å; K62-R65 PolarHBondContact O-N 3.47Å; K62-R66 WeakPolarHBondContact O-CB 3.3Å; K62-R66 VanDerWaalsContact O-CG 3.31Å; K62-R66 WeakPolarHBondContact O-CG 3.22Å; K62-R66 PolarHBondContact O-N 2.81Å
63	C	91.7	Very high	89.1	Confident	79 Å²	79	86.8 Å²	86.8	53%	0.534	45%	0.447	S	S	.	.	H	α-helix	trans	-59.9	-45.5	176.8	-170.3	0	0	0	0	111.8	D59 E60 E61 R66 S67	D59-C63 WeakPolarHBondContact O-CB 3.42Å; D59-C63 PolarHBondContact O-N 3Å; E60-C63 WeakPolarHBondContact O-CB 3.35Å; E60-C63 PolarHBondContact O-N 3.18Å; E61-C63 VanDerWaalsContact C-N 3.32Å; E61-C63 PolarHBondContact O-N 3.22Å; C63-R66 PolarHBondContact O-N 2.87Å; C63-S67 WeakPolarHBondContact O-CB 3.1Å; C63-S67 PolarHBondContact O-N 3.04Å
64	M	89.9	Confident	88.9	Confident	111 Å²	111	86.5 Å²	86.5	55%	0.547	45%	0.449	S	S	.	.	H	α-helix	trans	-60.3	-47.4	176.3	-76.2	-67.6	-72.4	0	0	112.4	E60 E61 K62 S67 Q68	E60-M64 WeakPolarHBondContact O-CG 3.15Å; E60-M64 PolarHBondContact O-N 3.21Å; E61-M64 PolarHBondContact O-N 3.15Å; K62-M64 PolarHBondContact O-N 3.05Å; M64-S67 PolarHBondContact O-N 3.41Å; M64-Q68 WeakPolarHBondContact O-CG 3.46Å; M64-Q68 PolarHBondContact O-N 3.04Å
65	R	87.5	Confident	88.4	Confident	66 Å²	66	82 Å²	82	25%	0.249	43%	0.428	C	S	.	.	H	α-helix	trans	-64.5	-40.6	178.5	-72.4	-159.3	-172.6	178.1	11.1	112.4	L48 M52 E55 E61 K62 Q68 H69	L48-R65 HydrophobicContact CD1-CB 4.48Å; M52-R65 HydrophobicContact SD-CB 3.63Å; M52-R65 HydrophobicContact SD-CG 4.46Å; E55-R65 IonicContact OE1-NH1 3.86Å; E55-R65 IonicContact OE2-CZ 3.55Å; E55-R65 IonicContact OE2-NH1 3.53Å; E55-R65 PolarHBondContact OE2-NH1 3.23Å; E55-R65 IonicContact OE2-NH2 2.73Å; E55-R65 PolarHBondContact OE2-NH2 2.81Å; E61-R65 PolarHBondContact O-N 2.84Å; K62-R65 PolarHBondContact O-N 3.47Å; R65-Q68 PolarHBondContact O-N 3.39Å; R65-H69 WeakPolarHBondContact O-CB 3.48Å; R65-H69 PolarHBondContact O-N 2.89Å
66	R	91.4	Very high	87.9	Confident	106 Å²	106	77.3 Å²	77.3	40%	0.4	41%	0.406	S	S	.	.	H	α-helix	trans	-60.6	-44.9	173.5	-72.7	175.8	-175.3	137.7	2.9	112	E49 M52 K62 C63 H69 A70	E49-R66 IonicContact OE1-CZ 3.19Å; E49-R66 IonicContact OE1-NE 2.77Å; E49-R66 PolarHBondContact OE1-NE 3.16Å; E49-R66 IonicContact OE1-NH2 2.79Å; E49-R66 IonicContact OE2-CZ 3.76Å; E49-R66 IonicContact OE2-NE 3.09Å; E49-R66 PolarHBondContact OE2-NE 3.36Å; E49-R66 IonicContact OE2-NH2 2.7Å; E49-R66 PolarHBondContact OE2-NH2 2.77Å; M52-R66 HydrophobicContact CE-CG 3.91Å; K62-R66 WeakPolarHBondContact O-CB 3.3Å; K62-R66 VanDerWaalsContact O-CG 3.31Å; K62-R66 WeakPolarHBondContact O-CG 3.22Å; K62-R66 PolarHBondContact O-N 2.81Å; C63-R66 PolarHBondContact O-N 2.87Å; R66-H69 PolarHBondContact O-N 2.58Å; R66-A70 WeakPolarHBondContact O-CB 3.48Å; R66-A70 PolarHBondContact O-N 3.08Å
67	S	90.1	Very high	87.5	Confident	78 Å²	78	77.5 Å²	77.5	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-45.2	176.9	-178.4	0	0	0	0	111.9	C63 M64 H69 A70 R71	C63-S67 WeakPolarHBondContact O-CB 3.1Å; C63-S67 PolarHBondContact O-N 3.04Å; M64-S67 PolarHBondContact O-N 3.41Å; S67-H69 VanDerWaalsContact C-N 3.33Å; S67-H69 PolarHBondContact O-N 2.73Å; S67-A70 PolarHBondContact O-N 3.08Å; S67-R71 PolarHBondContact O-N 2.53Å
68	Q	87.4	Confident	87.1	Confident	93 Å²	93	82.4 Å²	82.4	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-61.6	-40.6	175	-70.8	179.2	12	0	0	112.3	M64 R65 R71 K72	M64-Q68 WeakPolarHBondContact O-CG 3.46Å; M64-Q68 PolarHBondContact O-N 3.04Å; R65-Q68 PolarHBondContact O-N 3.39Å; Q68-R71 PolarHBondContact O-N 3.14Å; Q68-K72 WeakPolarHBondContact O-CG 3.39Å; Q68-K72 PolarHBondContact O-N 2.67Å
69	H	87.3	Confident	86.4	Confident	31 Å²	31	79.5 Å²	79.5	14%	0.144	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-46.1	176	-175.9	-89.7	0	0	0	112	L48 R65 R66 S67 R71 K72 E73	L48-H69 HydrophobicContact CD2-CB 3.45Å; L48-H69 VanDerWaalsContact CD2-CB 3.45Å; R65-H69 WeakPolarHBondContact O-CB 3.48Å; R65-H69 PolarHBondContact O-N 2.89Å; R66-H69 PolarHBondContact O-N 2.58Å; S67-H69 VanDerWaalsContact C-N 3.33Å; S67-H69 PolarHBondContact O-N 2.73Å; H69-R71 VanDerWaalsContact C-N 3.28Å; H69-R71 PolarHBondContact O-N 3.21Å; H69-K72 WeakPolarHBondContact O-CB 3.27Å; H69-K72 PolarHBondContact O-N 3.27Å; H69-K72 VanDerWaalsContact O-N 3.14Å; H69-E73 IonicContact CE1-OE1 3.32Å; H69-E73 PolarHBondContact O-N 2.65Å
70	A	87.8	Confident	85.7	Confident	53 Å²	53	76.1 Å²	76.1	44%	0.438	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-38.5	176.2	0	0	0	0	0	112.3	R66 S67 E73 T74	R66-A70 WeakPolarHBondContact O-CB 3.48Å; R66-A70 PolarHBondContact O-N 3.08Å; S67-A70 PolarHBondContact O-N 3.08Å; A70-E73 PolarHBondContact O-N 2.75Å; A70-T74 WeakPolarHBondContact O-CB 3.15Å; A70-T74 PolarHBondContact O-N 3.16Å; A70-T74 PolarHBondContact O-OG1 3.45Å
71	R	85.8	Confident	85.1	Confident	168 Å²	168	77.2 Å²	77.2	63%	0.634	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-48.4	172.9	-170.9	176.4	69.7	166.3	1.3	111.4	S67 Q68 H69 E73 T74 E75	S67-R71 PolarHBondContact O-N 2.53Å; Q68-R71 PolarHBondContact O-N 3.14Å; H69-R71 VanDerWaalsContact C-N 3.28Å; H69-R71 PolarHBondContact O-N 3.21Å; R71-E73 PolarHBondContact O-N 3.09Å; R71-T74 PolarHBondContact O-N 2.79Å; R71-E75 WeakPolarHBondContact O-CG 3.45Å; R71-E75 PolarHBondContact O-N 3Å
72	K	83.8	Confident	84.5	Confident	87 Å²	87	75.9 Å²	75.9	38%	0.378	36%	0.364	S	S	.	.	H	α-helix	trans	-58.4	-44.1	176.8	-75	176.8	177.1	179.8	0	112.1	Q68 H69 T74 E75 F76 F456	Q68-K72 WeakPolarHBondContact O-CG 3.39Å; Q68-K72 PolarHBondContact O-N 2.67Å; H69-K72 WeakPolarHBondContact O-CB 3.27Å; H69-K72 PolarHBondContact O-N 3.27Å; H69-K72 VanDerWaalsContact O-N 3.14Å; K72-T74 PolarHBondContact O-N 2.94Å; K72-E75 PolarHBondContact O-N 3.49Å; K72-F76 PolarHBondContact O-N 3.43Å; K72-F456 HydrophobicContact CB-CZ 3.99Å
73	E	86.7	Confident	84	Confident	4 Å²	4	85.6 Å²	85.6	2%	0.019	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-42.9	175.9	-77.3	-67	164.8	0	0	112.2	R41 R44 H69 A70 R71 E75 F76 L77 F456	R41-E73 IonicContact NE-OE2 2.79Å; R44-E73 IonicContact CZ-OE1 3.51Å; R44-E73 IonicContact NE-OE1 3.98Å; R44-E73 PolarHBondContact NE-OE1 3.31Å; R44-E73 IonicContact NH2-OE1 2.65Å; R44-E73 PolarHBondContact NH2-OE1 2.75Å; R44-E73 IonicContact NH2-OE2 2.59Å; R44-E73 PolarHBondContact NH2-OE2 2.9Å; H69-E73 IonicContact CE1-OE1 3.32Å; H69-E73 PolarHBondContact O-N 2.65Å; A70-E73 PolarHBondContact O-N 2.75Å; R71-E73 PolarHBondContact O-N 3.09Å; E73-E75 PolarHBondContact O-N 3.41Å; E73-F76 WeakPolarHBondContact O-CB 3.43Å; E73-F76 PolarHBondContact O-N 3.22Å; E73-L77 WeakPolarHBondContact O-CG 3.38Å; E73-L77 PolarHBondContact O-N 3.48Å; E73-F456 HydrophobicContact CG-CE2 4.42Å; E73-F456 HydrophobicContact CG-CZ 4.48Å
74	T	85.6	Confident	83.6	Confident	89 Å²	89	82.8 Å²	82.8	55%	0.546	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-43.8	177.1	-57.8	0	0	0	0	111.5	A70 R71 K72 F76 L77 R78	A70-T74 WeakPolarHBondContact O-CB 3.15Å; A70-T74 PolarHBondContact O-N 3.16Å; A70-T74 PolarHBondContact O-OG1 3.45Å; R71-T74 PolarHBondContact O-N 2.79Å; K72-T74 PolarHBondContact O-N 2.94Å; T74-F76 VanDerWaalsContact C-N 3.31Å; T74-F76 PolarHBondContact O-N 3.19Å; T74-L77 PolarHBondContact O-N 2.76Å; T74-R78 PolarHBondContact O-N 3.45Å; T74-R78 VanDerWaalsContact O-N 3.09Å
75	E	81.7	Confident	83.4	Confident	61 Å²	61	78 Å²	78	29%	0.285	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-35.3	175.5	-68.6	-167	123.9	0	0	112.1	R71 K72 E73 R78 L79 L459	R71-E75 WeakPolarHBondContact O-CG 3.45Å; R71-E75 PolarHBondContact O-N 3Å; K72-E75 PolarHBondContact O-N 3.49Å; E73-E75 PolarHBondContact O-N 3.41Å; E75-R78 WeakPolarHBondContact O-CB 3.47Å; E75-R78 PolarHBondContact O-N 3.31Å; E75-R78 IonicContact OE1-NH2 2.72Å; E75-L79 PolarHBondContact O-N 3.45Å; E75-L459 HydrophobicContact CB-CD2 3.7Å
76	F	80.2	Confident	83.5	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-46.6	175.5	-169.8	-132	0	0	0	112.3	K72 E73 T74 R78 L79 K80 F456 L459	K72-F76 PolarHBondContact O-N 3.43Å; E73-F76 WeakPolarHBondContact O-CB 3.43Å; E73-F76 PolarHBondContact O-N 3.22Å; T74-F76 VanDerWaalsContact C-N 3.31Å; T74-F76 PolarHBondContact O-N 3.19Å; F76-R78 PolarHBondContact O-N 3.35Å; F76-L79 WeakPolarHBondContact O-CB 3.43Å; F76-L79 PolarHBondContact O-N 3Å; F76-L79 VanDerWaalsContact O-N 3.11Å; F76-K80 HydrophobicContact CD1-CD 4.25Å; F76-K80 HydrophobicContact CE1-CD 3.92Å; F76-K80 HydrophobicContact CE1-CG 4.48Å; F76-K80 VanDerWaalsContact CE1-NZ 3.34Å; F76-K80 HydrophobicContact CE2-CG 4.38Å; F76-K80 HydrophobicContact CZ-CD 4.14Å; F76-K80 HydrophobicContact CZ-CG 4.33Å; F76-K80 PolarHBondContact O-N 3.18Å; F76-F456 HydrophobicContact CB-CD2 3.81Å; F76-F456 HydrophobicContact CB-CE2 3.71Å; F76-F456 AromaticContact CD1-CD2 3.47Å; F76-F456 HydrophobicContact CD1-CD2 3.47Å; F76-F456 VanDerWaalsContact CD1-CD2 3.47Å; F76-F456 AromaticContact CD1-CE2 3.98Å; F76-F456 HydrophobicContact CD1-CE2 3.98Å; F76-F456 HydrophobicContact CD2-CB 4.43Å; F76-F456 AromaticContact CD2-CD2 3.76Å; F76-F456 HydrophobicContact CD2-CD2 3.76Å; F76-F456 HydrophobicContact CD2-CG 4.47Å; F76-F456 HydrophobicContact CE1-CB 4.46Å; F76-F456 AromaticContact CE1-CD2 3.81Å; F76-F456 HydrophobicContact CE1-CD2 3.81Å; F76-F456 VanDerWaalsContact CE2-CA 3.42Å; F76-F456 HydrophobicContact CE2-CB 4.09Å; F76-F456 HydrophobicContact CE2-CD2 4.14Å; F76-F456 AromaticContact CG-CD2 3.4Å; F76-F456 HydrophobicContact CG-CD2 3.4Å; F76-F456 VanDerWaalsContact CG-CD2 3.4Å; F76-F456 AromaticContact CG-CE2 3.85Å; F76-F456 HydrophobicContact CG-CE2 3.85Å; F76-F456 HydrophobicContact CG-CG 4.48Å; F76-F456 HydrophobicContact CZ-CB 4.07Å; F76-F456 HydrophobicContact CZ-CD2 4.13Å; F76-L459 HydrophobicContact CB-CD1 3.47Å; F76-L459 VanDerWaalsContact CB-CD1 3.47Å; F76-L459 HydrophobicContact CD2-CD1 3.65Å; F76-L459 HydrophobicContact CD2-CG 4.33Å; F76-L459 HydrophobicContact CG-CD1 3.94Å
77	L	81.3	Confident	83.5	Confident	65 Å²	65	78.4 Å²	78.4	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-31.5	176.3	-67.9	172.9	0	0	0	111.6	E73 T74 R81	E73-L77 WeakPolarHBondContact O-CG 3.38Å; E73-L77 PolarHBondContact O-N 3.48Å; T74-L77 PolarHBondContact O-N 2.76Å; L77-R81 WeakPolarHBondContact O-CG 3.3Å; L77-R81 PolarHBondContact O-N 3.25Å; L77-R81 PolarHBondContact O-NE 2.97Å
78	R	80.7	Confident	83.5	Confident	128 Å²	128	77 Å²	77	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-68	-48.6	170.2	-172	179.8	66.3	-167.5	-7.1	111	T74 E75 F76 K80 R81 T82	T74-R78 PolarHBondContact O-N 3.45Å; T74-R78 VanDerWaalsContact O-N 3.09Å; E75-R78 WeakPolarHBondContact O-CB 3.47Å; E75-R78 PolarHBondContact O-N 3.31Å; E75-R78 IonicContact OE1-NH2 2.72Å; F76-R78 PolarHBondContact O-N 3.35Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 3.08Å; R78-R81 WeakPolarHBondContact O-CB 3.34Å; R78-R81 PolarHBondContact O-N 3.4Å; R78-T82 PolarHBondContact O-N 3.21Å; R78-T82 VanDerWaalsContact O-N 3.08Å; R78-T82 PolarHBondContact O-OG1 3.46Å
79	L	77.1	Confident	83.8	Confident	24 Å²	24	73.1 Å²	73.1	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-41	178.9	179.4	64.1	0	0	0	111.9	E75 F76 R81 T82 Y154 K454 L459	E75-L79 PolarHBondContact O-N 3.45Å; F76-L79 WeakPolarHBondContact O-CB 3.43Å; F76-L79 PolarHBondContact O-N 3Å; F76-L79 VanDerWaalsContact O-N 3.11Å; L79-R81 VanDerWaalsContact C-N 3.28Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-T82 WeakPolarHBondContact O-CB 3.48Å; L79-T82 PolarHBondContact O-N 2.58Å; L79-Y154 HydrophobicContact CD2-CE1 4.38Å; L79-K454 HydrophobicContact CD1-CD 4.43Å; L79-K454 HydrophobicContact CG-CD 4Å; L79-K454 WeakPolarHBondContact O-CD 3.49Å; L79-K454 PolarHBondContact O-NZ 3.3Å; L79-L459 HydrophobicContact CB-CD2 4.35Å; L79-L459 HydrophobicContact CD2-CD2 4.17Å; L79-L459 HydrophobicContact CD2-CG 4.08Å
80	K	75.3	Confident	84.1	Confident	61 Å²	61	76.5 Å²	76.5	27%	0.265	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-33.7	175.2	-82.6	-175.3	163.7	172.6	0	113.2	Q37 F76 R78	Q37-K80 VanDerWaalsContact CG-NZ 3.29Å; Q37-K80 VanDerWaalsContact OE1-NZ 3.11Å; F76-K80 HydrophobicContact CD1-CD 4.25Å; F76-K80 HydrophobicContact CE1-CD 3.92Å; F76-K80 HydrophobicContact CE1-CG 4.48Å; F76-K80 VanDerWaalsContact CE1-NZ 3.34Å; F76-K80 HydrophobicContact CE2-CG 4.38Å; F76-K80 HydrophobicContact CZ-CD 4.14Å; F76-K80 HydrophobicContact CZ-CG 4.33Å; F76-K80 PolarHBondContact O-N 3.18Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 3.08Å
81	R	77.4	Confident	84.3	Confident	189 Å²	189	76.3 Å²	76.3	71%	0.713	35%	0.348	S	S	*	.	H	α-helix	trans	-76.3	-30.6	177	-73.1	179.7	-75.7	167.3	-4.6	112.9	L77 R78 L79	L77-R81 WeakPolarHBondContact O-CG 3.3Å; L77-R81 PolarHBondContact O-N 3.25Å; L77-R81 PolarHBondContact O-NE 2.97Å; R78-R81 WeakPolarHBondContact O-CB 3.34Å; R78-R81 PolarHBondContact O-N 3.4Å; L79-R81 VanDerWaalsContact C-N 3.28Å; L79-R81 PolarHBondContact O-N 3.36Å
82	T	77.6	Confident	84.6	Confident	68 Å²	68	71.3 Å²	71.3	42%	0.417	33%	0.334	S	S	.	.	S	Bend	trans	-61.9	138	173.9	-51.4	0	0	0	0	109.5	R78 L79 K454	R78-T82 PolarHBondContact O-N 3.21Å; R78-T82 VanDerWaalsContact O-N 3.08Å; R78-T82 PolarHBondContact O-OG1 3.46Å; L79-T82 WeakPolarHBondContact O-CB 3.48Å; L79-T82 PolarHBondContact O-N 2.58Å; T82-K454 PolarHBondContact O-NZ 3.12Å
83	R	79	Confident	85	Confident	233 Å²	233	70 Å²	70	88%	0.879	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-87.3	121.4	165.8	-77.3	-179.3	162	-175.4	-5.7	107.6
84	L	82.3	Confident	85.2	Confident	20 Å²	20	70.1 Å²	70.1	11%	0.105	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-85.5	133.6	170.4	-77.1	167.6	0	0	0	107.7	D88 Y154 F156 K454	L84-D88 VanDerWaalsContact CA-OD2 3.3Å; L84-D88 WeakPolarHBondContact CA-OD2 3.42Å; L84-D88 HydrophobicContact CD2-CB 4.32Å; L84-Y154 HydrophobicContact CD1-CD1 3.64Å; L84-Y154 HydrophobicContact CD1-CE1 4.11Å; L84-Y154 HydrophobicContact CD1-CG 3.87Å; L84-F156 HydrophobicContact CB-CD1 4.33Å; L84-K454 HydrophobicContact CD1-CD 3.99Å; L84-K454 HydrophobicContact CD1-CG 4.39Å
85	G	86.7	Confident	85.4	Confident	10 Å²	10	66.5 Å²	66.5	10%	0.103	31%	0.306	C	S	.	.			trans	-129.6	178	175.4	0	0	0	0	0	111.7	E87 D88 F89	G85-E87 VanDerWaalsContact C-OE2 3.32Å; G85-E87 WeakPolarHBondContact CA-OE2 3.34Å; G85-E87 PolarHBondContact O-N 3.12Å; G85-D88 PolarHBondContact N-OD2 2.7Å; G85-D88 PolarHBondContact O-N 3.1Å; G85-F89 VanDerWaalsContact O-CD2 3.31Å; G85-F89 WeakPolarHBondContact O-CD2 3.45Å
86	L	88.9	Confident	85.5	Confident	48 Å²	48	64.4 Å²	64.4	25%	0.251	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-64.3	-30.7	177.9	-175.7	66.2	0	0	0	111.4	D88 F89 M117 Y163 L419	L86-D88 PolarHBondContact O-N 3.11Å; L86-F89 PolarHBondContact O-N 3Å; L86-F89 VanDerWaalsContact O-N 3.09Å; L86-F89 VanDerWaalsContact O-O 3.14Å; L86-M117 HydrophobicContact CD1-CE 3.64Å; L86-M117 HydrophobicContact CD1-SD 4.04Å; L86-Y163 HydrophobicContact CD1-CD1 4.43Å; L86-Y163 HydrophobicContact CD1-CE1 3.9Å; L86-L419 HydrophobicContact CD1-CD1 4.3Å; L86-L419 HydrophobicContact CD1-CD2 4.07Å; L86-L419 HydrophobicContact CD2-CD1 4.5Å; L86-L419 HydrophobicContact CD2-CD2 3.86Å
87	E	90.3	Very high	85.4	Confident	133 Å²	133	68.5 Å²	68.5	62%	0.621	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.8	-22.4	178.3	65.2	-83.4	-165	0	0	114.2	G85 F89 K109	G85-E87 VanDerWaalsContact C-OE2 3.32Å; G85-E87 WeakPolarHBondContact CA-OE2 3.34Å; G85-E87 PolarHBondContact O-N 3.12Å; E87-F89 PolarHBondContact O-N 2.95Å; E87-K109 WeakPolarHBondContact O-CD 3Å; E87-K109 WeakPolarHBondContact O-CE 3.31Å; E87-K109 PolarHBondContact O-NZ 2.79Å
88	D	90.2	Very high	84.9	Confident	49 Å²	49	67.5 Å²	67.5	26%	0.262	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-76.4	-10.3	177.2	-65.5	-51.5	0	0	0	112.8	L84 G85 L86 K109	L84-D88 VanDerWaalsContact CA-OD2 3.3Å; L84-D88 WeakPolarHBondContact CA-OD2 3.42Å; L84-D88 HydrophobicContact CD2-CB 4.32Å; G85-D88 PolarHBondContact N-OD2 2.7Å; G85-D88 PolarHBondContact O-N 3.1Å; L86-D88 PolarHBondContact O-N 3.11Å; D88-K109 PolarHBondContact O-N 2.98Å
89	F	93.6	Very high	84.2	Confident	11 Å²	11	62.8 Å²	62.8	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.9	-175.7	-58.8	-89.4	0	0	0	110.9	G85 L86 E87 V106 Q107 K108 Y115 Y154 F156 L165	G85-F89 VanDerWaalsContact O-CD2 3.31Å; G85-F89 WeakPolarHBondContact O-CD2 3.45Å; L86-F89 PolarHBondContact O-N 3Å; L86-F89 VanDerWaalsContact O-N 3.09Å; L86-F89 VanDerWaalsContact O-O 3.14Å; E87-F89 PolarHBondContact O-N 2.95Å; F89-V106 HydrophobicContact CB-CB 4.36Å; F89-V106 HydrophobicContact CB-CG2 4.45Å; F89-V106 HydrophobicContact CD1-CG2 3.98Å; F89-Q107 CarbonylContact C-O 3.54Å; F89-Q107 WeakPolarHBondContact CA-O 3.4Å; F89-K108 HydrophobicContact CD1-CB 3.88Å; F89-K108 HydrophobicContact CD1-CG 4.04Å; F89-K108 HydrophobicContact CE1-CB 3.8Å; F89-K108 HydrophobicContact CE1-CD 4.1Å; F89-K108 HydrophobicContact CE1-CG 3.7Å; F89-K108 HydrophobicContact CZ-CD 4.4Å; F89-K108 HydrophobicContact CZ-CG 4.23Å; F89-Y115 HydrophobicContact CE1-CD2 4.23Å; F89-Y115 HydrophobicContact CE1-CE2 4.5Å; F89-Y154 HydrophobicContact CZ-CD2 4.38Å; F89-F156 HydrophobicContact CD2-CE1 4.3Å; F89-F156 HydrophobicContact CD2-CZ 4.15Å; F89-F156 AromaticContact CE2-CE1 3.67Å; F89-F156 HydrophobicContact CE2-CE1 3.67Å; F89-F156 AromaticContact CE2-CZ 3.96Å; F89-F156 HydrophobicContact CE2-CZ 3.96Å; F89-F156 HydrophobicContact CZ-CE1 4.33Å; F89-L165 HydrophobicContact CD1-CD1 4.12Å; F89-L165 HydrophobicContact CE1-CD1 3.83Å; F89-L165 HydrophobicContact CE1-CG 4.11Å; F89-L165 HydrophobicContact CZ-CD1 4.23Å; F89-L165 HydrophobicContact CZ-CG 4.03Å
90	E	93.9	Very high	83.9	Confident	101 Å²	101	63.3 Å²	63.3	47%	0.472	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.8	171.1	-176.8	172.3	178.9	0	0	108.6	L92 V106 Q107 K109	E90-L92 HydrophobicContact CG-CD2 4.37Å; E90-V106 CarbonylContact O-C 3.6Å; E90-V106 WeakPolarHBondContact O-CA 3.17Å; E90-V106 WeakPolarHBondContact O-CB 3.34Å; E90-Q107 PolarHBondContact N-O 3.35Å; E90-Q107 PolarHBondContact O-N 2.84Å; E90-K109 HydrophobicContact CB-CG 4.45Å
91	S	93.4	Very high	84	Confident	49 Å²	49	61 Å²	61	34%	0.343	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.7	178.2	173.6	0	0	0	0	109.5	R104	S91-R104 VanDerWaalsContact OG-CD 3.31Å; S91-R104 WeakPolarHBondContact OG-CD 3.24Å; S91-R104 PolarHBondContact OG-NH1 2.79Å; S91-R104 VanDerWaalsContact OG-NH1 3.16Å
92	L	91.7	Very high	84.5	Confident	63 Å²	63	52.5 Å²	52.5	33%	0.33	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-54.3	-179.8	-56.2	-176.4	0	0	0	111.8	E90 L105 Q107 D405	E90-L92 HydrophobicContact CG-CD2 4.37Å; L92-L105 HydrophobicContact CB-CB 4.43Å; L92-L105 HydrophobicContact CB-CD2 4.44Å; L92-L105 HydrophobicContact CB-CG 4.44Å; L92-L105 WeakPolarHBondContact CB-O 2.92Å; L92-L105 HydrophobicContact CD1-CD2 4.13Å; L92-L105 HydrophobicContact CD1-CG 4.2Å; L92-L105 PolarHBondContact N-O 2.89Å; L92-Q107 HydrophobicContact CD1-CB 4.14Å; L92-Q107 HydrophobicContact CD2-CB 4.28Å; L92-Q107 HydrophobicContact CG-CB 4.3Å; L92-D405 HydrophobicContact CD1-CB 4.49Å
93	K	91.4	Very high	85.1	Confident	60 Å²	60	50.9 Å²	50.9	26%	0.261	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	148	-175.4	-170	172.6	172	-177.9	0	111.9	R104 L105 T407	K93-R104 CarbonylContact O-C 3.21Å; K93-R104 VanDerWaalsContact O-CA 3.29Å; K93-R104 WeakPolarHBondContact O-CA 3.48Å; K93-L105 PolarHBondContact N-O 3.33Å; K93-L105 PolarHBondContact O-N 3.23Å; K93-T407 HydrophobicContact CD-CG2 4.12Å; K93-T407 VanDerWaalsContact CD-OG1 3.27Å; K93-T407 WeakPolarHBondContact CD-OG1 3.41Å; K93-T407 PolarHBondContact NZ-OG1 3.09Å
94	V	91.2	Very high	85.8	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.6	168.1	-176.4	0	0	0	0	108.6	R97 R104 F413	V94-R97 HydrophobicContact CG1-CG 4.32Å; V94-R104 HydrophobicContact CG2-CG 4.23Å; V94-F413 HydrophobicContact CB-CB 4.13Å; V94-F413 HydrophobicContact CG1-CB 3.87Å; V94-F413 HydrophobicContact CG1-CG 4.31Å
95	I	88.7	Confident	86.3	Confident	13 Å²	13	40 Å²	40	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-10.9	-176.4	59.6	173.1	0	0	0	113.1	V103 L105 A116 F168 T407 F410 F413	I95-V103 HydrophobicContact CD1-CG1 3.91Å; I95-V103 HydrophobicContact CG1-CB 4.16Å; I95-V103 HydrophobicContact CG1-CG1 3.81Å; I95-V103 WeakPolarHBondContact CG1-O 3.23Å; I95-V103 PolarHBondContact N-O 2.91Å; I95-L105 HydrophobicContact CG2-CB 3.93Å; I95-A116 HydrophobicContact CD1-CB 4.19Å; I95-F168 HydrophobicContact CD1-CD2 3.99Å; I95-F168 HydrophobicContact CD1-CE2 3.93Å; I95-T407 HydrophobicContact CG2-CG2 3.73Å; I95-F410 HydrophobicContact CB-CD1 3.93Å; I95-F410 HydrophobicContact CB-CE1 4.32Å; I95-F410 HydrophobicContact CB-CG 4.18Å; I95-F410 HydrophobicContact CD1-CE1 4.4Å; I95-F410 HydrophobicContact CG2-CG 4.45Å; I95-F410 WeakPolarHBondContact O-CD1 3.49Å; I95-F413 WeakPolarHBondContact O-CE2 3.36Å
96	G	83.8	Confident	86.7	Confident	16 Å²	16	39.6 Å²	39.6	17%	0.165	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	154.6	175.2	0	0	0	0	0	112.3	E102 V103	G96-E102 WeakPolarHBondContact O-CA 3.42Å; G96-E102 WeakPolarHBondContact O-CB 3.05Å; G96-V103 PolarHBondContact N-O 3Å; G96-V103 VanDerWaalsContact N-O 3.13Å; G96-V103 PolarHBondContact O-N 2.84Å
97	R	79.2	Confident	87	Confident	90 Å²	90	40.3 Å²	40.3	34%	0.34	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.3	172.3	-70.3	-173.6	177.4	-164.5	0.7	109.3	V94 E102 F280 F413 P414	V94-R97 HydrophobicContact CG1-CG 4.32Å; R97-E102 HydrophobicContact CG-CB 4.27Å; R97-F280 HydrophobicContact CB-CD1 4.18Å; R97-F280 HydrophobicContact CB-CE1 4.3Å; R97-F280 VanDerWaalsContact O-CD1 3.26Å; R97-F280 WeakPolarHBondContact O-CD1 3.45Å; R97-F413 HydrophobicContact CB-CD1 4.4Å; R97-F413 HydrophobicContact CB-CE1 4.3Å; R97-F413 HydrophobicContact CG-CD1 3.89Å; R97-F413 HydrophobicContact CG-CE1 4.28Å; R97-F413 HydrophobicContact CG-CG 4.4Å; R97-P414 PolarHBondContact NH2-O 3.42Å
98	G	70.8	Confident	87	Confident	45 Å²	45	34.5 Å²	34.5	46%	0.464	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	175.2	176.3	0	0	0	0	0	111.6	F100 G101	G98-F100 PolarHBondContact O-N 3.11Å; G98-F100 VanDerWaalsContact O-N 3.12Å; G98-G101 CarbonylContact C-O 3.59Å; G98-G101 PolarHBondContact N-O 2.86Å; G98-G101 VanDerWaalsContact O-O 3.04Å
99	A	66.6	Low	87.1	Confident	29 Å²	29	38.1 Å²	38.1	24%	0.24	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.8	177.9	0	0	0	0	0	114.5	T282	A99-T282 HydrophobicContact CB-CG2 4.01Å
100	F	69.1	Low	86.7	Confident	34 Å²	34	41.9 Å²	41.9	15%	0.149	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	5.8	-168.5	-55.8	-63.8	0	0	0	113.7	G98 L120 R121 M125 K128 L237	G98-F100 PolarHBondContact O-N 3.11Å; G98-F100 VanDerWaalsContact O-N 3.12Å; F100-L120 HydrophobicContact CB-CD2 4.17Å; F100-R121 PolarHBondContact O-N 3Å; F100-M125 HydrophobicContact CB-CE 3.43Å; F100-M125 VanDerWaalsContact CB-CE 3.43Å; F100-M125 HydrophobicContact CD1-CE 3.33Å; F100-M125 HydrophobicContact CD2-CE 4.23Å; F100-M125 HydrophobicContact CE1-CE 4.13Å; F100-M125 HydrophobicContact CG-CE 3.4Å; F100-K128 HydrophobicContact CD1-CD 4.16Å; F100-K128 HydrophobicContact CE1-CD 3.49Å; F100-K128 VanDerWaalsContact CE1-CD 3.49Å; F100-L237 HydrophobicContact CE2-CB 4.26Å; F100-L237 HydrophobicContact CE2-CD1 3.87Å; F100-L237 HydrophobicContact CZ-CB 4.3Å; F100-L237 HydrophobicContact CZ-CD1 4.42Å
101	G	79	Confident	86.3	Confident	14 Å²	14	39.1 Å²	39.1	14%	0.144	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-150.4	-175.4	0	0	0	0	0	112.1	G98 I119	G98-G101 CarbonylContact C-O 3.59Å; G98-G101 PolarHBondContact N-O 2.86Å; G98-G101 VanDerWaalsContact O-O 3.04Å; G101-I119 VanDerWaalsContact CA-O 3.25Å; G101-I119 WeakPolarHBondContact CA-O 3.43Å
102	E	86.7	Confident	85.9	Confident	9 Å²	9	38.2 Å²	38.2	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	163.3	-172.5	67	-171	-141.1	0	0	112.1	G96 R97 R104 I119 S416 I418	G96-E102 WeakPolarHBondContact O-CA 3.42Å; G96-E102 WeakPolarHBondContact O-CB 3.05Å; R97-E102 HydrophobicContact CG-CB 4.27Å; E102-R104 HydrophobicContact CG-CG 4.49Å; E102-R104 IonicContact OE1-CZ 3.21Å; E102-R104 IonicContact OE1-NE 3.78Å; E102-R104 PolarHBondContact OE1-NE 2.85Å; E102-R104 IonicContact OE1-NH2 3.72Å; E102-R104 PolarHBondContact OE1-NH2 2.82Å; E102-I119 HydrophobicContact CG-CD1 4.05Å; E102-I119 PolarHBondContact N-O 3.13Å; E102-I119 VanDerWaalsContact N-O 3.13Å; E102-I119 PolarHBondContact O-N 3.19Å; E102-S416 PolarHBondContact OE1-OG 3.41Å; E102-S416 WeakPolarHBondContact OE2-CB 3.48Å; E102-S416 PolarHBondContact OE2-OG 2.82Å; E102-I418 HydrophobicContact CG-CB 4.43Å; E102-I418 HydrophobicContact CG-CD1 3.95Å; E102-I418 HydrophobicContact CG-CG2 3.77Å; E102-I418 WeakPolarHBondContact OE1-CG2 3.29Å
103	V	90.4	Very high	85.7	Confident	35 Å²	35	38.5 Å²	38.5	21%	0.212	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.3	178.1	-170.8	0	0	0	0	108.2	I95 G96 A116 M117 K118	I95-V103 HydrophobicContact CD1-CG1 3.91Å; I95-V103 HydrophobicContact CG1-CB 4.16Å; I95-V103 HydrophobicContact CG1-CG1 3.81Å; I95-V103 WeakPolarHBondContact CG1-O 3.23Å; I95-V103 PolarHBondContact N-O 2.91Å; G96-V103 PolarHBondContact N-O 3Å; G96-V103 VanDerWaalsContact N-O 3.13Å; G96-V103 PolarHBondContact O-N 2.84Å; V103-A116 HydrophobicContact CG1-CB 4.22Å; V103-M117 CarbonylContact C-O 3.58Å; V103-M117 WeakPolarHBondContact CA-O 3.25Å; V103-K118 HydrophobicContact CG2-CB 4.31Å; V103-K118 HydrophobicContact CG2-CG 4.18Å
104	R	93.3	Very high	85.8	Confident	22 Å²	22	36.3 Å²	36.3	8%	0.083	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.5	177.6	-60.9	-166	-178.4	-152.4	-5.6	111.2	S91 K93 V94 E102 V106 A116 M117 I119 S416 L419	S91-R104 VanDerWaalsContact OG-CD 3.31Å; S91-R104 WeakPolarHBondContact OG-CD 3.24Å; S91-R104 PolarHBondContact OG-NH1 2.79Å; S91-R104 VanDerWaalsContact OG-NH1 3.16Å; K93-R104 CarbonylContact O-C 3.21Å; K93-R104 VanDerWaalsContact O-CA 3.29Å; K93-R104 WeakPolarHBondContact O-CA 3.48Å; V94-R104 HydrophobicContact CG2-CG 4.23Å; E102-R104 HydrophobicContact CG-CG 4.49Å; E102-R104 IonicContact OE1-CZ 3.21Å; E102-R104 IonicContact OE1-NE 3.78Å; E102-R104 PolarHBondContact OE1-NE 2.85Å; E102-R104 IonicContact OE1-NH2 3.72Å; E102-R104 PolarHBondContact OE1-NH2 2.82Å; R104-V106 HydrophobicContact CB-CG1 4.02Å; R104-A116 CarbonylContact O-C 3.55Å; R104-M117 PolarHBondContact N-O 3.25Å; R104-M117 PolarHBondContact O-N 3.41Å; R104-I119 HydrophobicContact CG-CD1 3.96Å; R104-S416 PolarHBondContact NH2-O 2.85Å; R104-L419 VanDerWaalsContact NH1-CD1 3.27Å
105	L	94.4	Very high	85.9	Confident	3 Å²	3	36 Å²	36	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.4	159.7	-169	67	0	0	0	108.4	L92 K93 I95 V114 F168 D405 T407	L92-L105 HydrophobicContact CB-CB 4.43Å; L92-L105 HydrophobicContact CB-CD2 4.44Å; L92-L105 HydrophobicContact CB-CG 4.44Å; L92-L105 WeakPolarHBondContact CB-O 2.92Å; L92-L105 HydrophobicContact CD1-CD2 4.13Å; L92-L105 HydrophobicContact CD1-CG 4.2Å; L92-L105 PolarHBondContact N-O 2.89Å; K93-L105 PolarHBondContact N-O 3.33Å; K93-L105 PolarHBondContact O-N 3.23Å; I95-L105 HydrophobicContact CG2-CB 3.93Å; L105-V114 HydrophobicContact CD1-CG1 3.22Å; L105-V114 HydrophobicContact CD2-CG1 4.25Å; L105-V114 HydrophobicContact CG-CG1 3.76Å; L105-F168 HydrophobicContact CD1-CB 3.94Å; L105-F168 HydrophobicContact CD1-CD1 3.59Å; L105-F168 HydrophobicContact CD1-CD2 3.43Å; L105-F168 VanDerWaalsContact CD1-CD2 3.43Å; L105-F168 HydrophobicContact CD1-CE1 3.85Å; L105-F168 HydrophobicContact CD1-CE2 3.72Å; L105-F168 HydrophobicContact CD1-CG 3.35Å; L105-F168 HydrophobicContact CD1-CZ 3.92Å; L105-F168 HydrophobicContact CD2-CE1 4.45Å; L105-F168 HydrophobicContact CD2-CZ 4.44Å; L105-D405 HydrophobicContact CD2-CB 4Å; L105-T407 HydrophobicContact CD2-CG2 3.69Å
106	V	95.1	Very high	86.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.1	-179.2	-55.2	0	0	0	0	111.3	F89 E90 R104 V114 Y115 M117 L165	F89-V106 HydrophobicContact CB-CB 4.36Å; F89-V106 HydrophobicContact CB-CG2 4.45Å; F89-V106 HydrophobicContact CD1-CG2 3.98Å; E90-V106 CarbonylContact O-C 3.6Å; E90-V106 WeakPolarHBondContact O-CA 3.17Å; E90-V106 WeakPolarHBondContact O-CB 3.34Å; R104-V106 HydrophobicContact CB-CG1 4.02Å; V106-V114 CarbonylContact O-C 3.53Å; V106-V114 WeakPolarHBondContact O-CA 3.4Å; V106-Y115 PolarHBondContact N-O 2.88Å; V106-Y115 PolarHBondContact O-N 2.83Å; V106-M117 HydrophobicContact CB-CB 4.43Å; V106-M117 HydrophobicContact CG1-CB 3.67Å; V106-M117 HydrophobicContact CG1-CE 3.66Å; V106-M117 HydrophobicContact CG1-CG 4.48Å; V106-M117 HydrophobicContact CG1-SD 4.11Å; V106-M117 HydrophobicContact CG2-CB 3.82Å; V106-L165 HydrophobicContact CG2-CD1 3.66Å
107	Q	93.7	Very high	86.6	Confident	63 Å²	63	35.1 Å²	35.1	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.4	173.4	-167.1	175.1	37.9	0	0	110.1	F89 E90 L92 K109 G112 H113	F89-Q107 CarbonylContact C-O 3.54Å; F89-Q107 WeakPolarHBondContact CA-O 3.4Å; E90-Q107 PolarHBondContact N-O 3.35Å; E90-Q107 PolarHBondContact O-N 2.84Å; L92-Q107 HydrophobicContact CD1-CB 4.14Å; L92-Q107 HydrophobicContact CD2-CB 4.28Å; L92-Q107 HydrophobicContact CG-CB 4.3Å; Q107-K109 PolarHBondContact O-N 3.47Å; Q107-G112 WeakPolarHBondContact CG-O 3.21Å; Q107-G112 PolarHBondContact NE2-O 2.97Å; Q107-H113 WeakPolarHBondContact CA-O 3.45Å
108	K	91.8	Very high	87.2	Confident	11 Å²	11	32 Å²	32	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.8	176.7	-166.9	-174.5	-172.1	-72.3	0	110	F89 D110 T111 G112 H113 Y115	F89-K108 HydrophobicContact CD1-CB 3.88Å; F89-K108 HydrophobicContact CD1-CG 4.04Å; F89-K108 HydrophobicContact CE1-CB 3.8Å; F89-K108 HydrophobicContact CE1-CD 4.1Å; F89-K108 HydrophobicContact CE1-CG 3.7Å; F89-K108 HydrophobicContact CZ-CD 4.4Å; F89-K108 HydrophobicContact CZ-CG 4.23Å; K108-D110 WeakPolarHBondContact CD-OD1 3.48Å; K108-D110 VanDerWaalsContact CG-OD1 3.26Å; K108-D110 WeakPolarHBondContact CG-OD1 3.48Å; K108-D110 IonicContact NZ-OD1 3.34Å; K108-D110 PolarHBondContact NZ-OD1 2.82Å; K108-D110 IonicContact NZ-OD2 3.58Å; K108-D110 PolarHBondContact NZ-OD2 2.59Å; K108-D110 PolarHBondContact O-N 2.67Å; K108-T111 PolarHBondContact O-N 2.86Å; K108-G112 WeakPolarHBondContact O-CA 3.33Å; K108-G112 PolarHBondContact O-N 3.36Å; K108-H113 PolarHBondContact N-O 3.33Å; K108-Y115 HydrophobicContact CB-CD2 4.24Å; K108-Y115 HydrophobicContact CB-CE2 3.79Å; K108-Y115 HydrophobicContact CD-CE2 4.27Å
109	K	91	Very high	88.1	Confident	126 Å²	126	29.8 Å²	29.8	55%	0.548	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-36.3	-166.1	-68.1	177.8	-178.7	168.5	0	115.2	E87 D88 E90 Q107	E87-K109 WeakPolarHBondContact O-CD 3Å; E87-K109 WeakPolarHBondContact O-CE 3.31Å; E87-K109 PolarHBondContact O-NZ 2.79Å; D88-K109 PolarHBondContact O-N 2.98Å; E90-K109 HydrophobicContact CB-CG 4.45Å; Q107-K109 PolarHBondContact O-N 3.47Å
110	D	84.8	Confident	89	Confident	89 Å²	89	29 Å²	29	48%	0.476	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.9	-177.8	70.2	-31.1	0	0	0	114.1	K108 R462	K108-D110 WeakPolarHBondContact CD-OD1 3.48Å; K108-D110 VanDerWaalsContact CG-OD1 3.26Å; K108-D110 WeakPolarHBondContact CG-OD1 3.48Å; K108-D110 IonicContact NZ-OD1 3.34Å; K108-D110 PolarHBondContact NZ-OD1 2.82Å; K108-D110 IonicContact NZ-OD2 3.58Å; K108-D110 PolarHBondContact NZ-OD2 2.59Å; K108-D110 PolarHBondContact O-N 2.67Å; D110-R462 IonicContact OD2-NH2 2.8Å
111	T	85.3	Confident	89.7	Confident	43 Å²	43	32.6 Å²	32.6	26%	0.264	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-19.6	-174	55.4	0	0	0	0	113.4	K108 H113 R462	K108-T111 PolarHBondContact O-N 2.86Å; T111-H113 PolarHBondContact O-N 2.86Å; T111-H113 PolarHBondContact OG1-N 2.76Å; T111-R462 HydrophobicContact CG2-CG 3.52Å
112	G	85.9	Confident	90	Very high	30 Å²	30	32 Å²	32	31%	0.309	16%	0.16	S	C	.	.			trans	69.2	5.4	-171.1	0	0	0	0	0	113.9	Q107 K108	Q107-G112 WeakPolarHBondContact CG-O 3.21Å; Q107-G112 PolarHBondContact NE2-O 2.97Å; K108-G112 WeakPolarHBondContact O-CA 3.33Å; K108-G112 PolarHBondContact O-N 3.36Å
113	H	88	Confident	89.6	Confident	70 Å²	70	34.2 Å²	34.2	32%	0.324	18%	0.18	S	C	.	.			trans	-75.6	141.1	-177.5	-158	87.5	0	0	0	111.2	Q107 K108 T111 Y115 A461	Q107-H113 WeakPolarHBondContact CA-O 3.45Å; K108-H113 PolarHBondContact N-O 3.33Å; T111-H113 PolarHBondContact O-N 2.86Å; T111-H113 PolarHBondContact OG1-N 2.76Å; H113-Y115 HydrophobicContact CB-CE2 3.81Å; H113-Y115 AromaticContact CD2-CE1 3.58Å; H113-Y115 AromaticContact CD2-CE2 3.74Å; H113-Y115 AromaticContact CD2-CZ 3.34Å; H113-Y115 PolarHBondContact CD2-OH 3.49Å; H113-Y115 AromaticContact CG-CZ 3.97Å; H113-Y115 WeakPolarHBondContact O-CD2 3.46Å; H113-A461 HydrophobicContact CB-CB 4.38Å; H113-A461 PolarHBondContact ND1-O 2.73Å
114	V	92.1	Very high	89	Confident	13 Å²	13	34.2 Å²	34.2	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.3	-175.5	-179.4	0	0	0	0	110.2	L105 V106 F168 I404 D405	L105-V114 HydrophobicContact CD1-CG1 3.22Å; L105-V114 HydrophobicContact CD2-CG1 4.25Å; L105-V114 HydrophobicContact CG-CG1 3.76Å; V106-V114 CarbonylContact O-C 3.53Å; V106-V114 WeakPolarHBondContact O-CA 3.4Å; V114-F168 HydrophobicContact CG1-CB 4.36Å; V114-F168 HydrophobicContact CG1-CD1 4.2Å; V114-F168 HydrophobicContact CG1-CG 4.48Å; V114-I404 HydrophobicContact CG2-CD1 4.21Å; V114-D405 HydrophobicContact CG2-CB 4.42Å
115	Y	94	Very high	88.2	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.1	-178.7	-61.2	-81.5	0	0	0	110.8	F89 V106 K108 H113 F153 Y154 L165 M166 A461	F89-Y115 HydrophobicContact CE1-CD2 4.23Å; F89-Y115 HydrophobicContact CE1-CE2 4.5Å; V106-Y115 PolarHBondContact N-O 2.88Å; V106-Y115 PolarHBondContact O-N 2.83Å; K108-Y115 HydrophobicContact CB-CD2 4.24Å; K108-Y115 HydrophobicContact CB-CE2 3.79Å; K108-Y115 HydrophobicContact CD-CE2 4.27Å; H113-Y115 HydrophobicContact CB-CE2 3.81Å; H113-Y115 AromaticContact CD2-CE1 3.58Å; H113-Y115 AromaticContact CD2-CE2 3.74Å; H113-Y115 AromaticContact CD2-CZ 3.34Å; H113-Y115 PolarHBondContact CD2-OH 3.49Å; H113-Y115 AromaticContact CG-CZ 3.97Å; H113-Y115 WeakPolarHBondContact O-CD2 3.46Å; Y115-F153 AromaticContact CD1-CD2 3.72Å; Y115-F153 HydrophobicContact CD1-CD2 3.72Å; Y115-F153 HydrophobicContact CD1-CE2 4.18Å; Y115-F153 HydrophobicContact CD1-CG 4.41Å; Y115-F153 HydrophobicContact CE1-CB 4.24Å; Y115-F153 AromaticContact CE1-CD2 3.52Å; Y115-F153 HydrophobicContact CE1-CD2 3.52Å; Y115-F153 AromaticContact CE1-CE2 3.92Å; Y115-F153 HydrophobicContact CE1-CE2 3.92Å; Y115-F153 AromaticContact CE1-CG 3.87Å; Y115-F153 HydrophobicContact CE1-CG 3.87Å; Y115-Y154 HydrophobicContact CE1-CE2 4.17Å; Y115-Y154 HydrophobicContact CE2-CE2 4.46Å; Y115-Y154 AromaticContact CZ-CE2 3.93Å; Y115-L165 HydrophobicContact CG-CD1 4.36Å; Y115-M166 WeakPolarHBondContact CA-O 3.26Å; Y115-A461 VanDerWaalsContact OH-CB 3.28Å; Y115-A461 WeakPolarHBondContact OH-CB 3.19Å
116	A	94.3	Very high	87.2	Confident	8 Å²	8	35.1 Å²	35.1	7%	0.066	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.9	162.2	0	0	0	0	0	109.1	I95 V103 R104 M166	I95-A116 HydrophobicContact CD1-CB 4.19Å; V103-A116 HydrophobicContact CG1-CB 4.22Å; R104-A116 CarbonylContact O-C 3.55Å; A116-M166 PolarHBondContact N-O 2.79Å; A116-M166 PolarHBondContact O-N 3.47Å
117	M	93.6	Very high	86	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.4	178.2	-174.7	168.5	75.1	0	0	110.4	L86 V103 R104 V106 I119 Y163 L164 L165 L419	L86-M117 HydrophobicContact CD1-CE 3.64Å; L86-M117 HydrophobicContact CD1-SD 4.04Å; V103-M117 CarbonylContact C-O 3.58Å; V103-M117 WeakPolarHBondContact CA-O 3.25Å; R104-M117 PolarHBondContact N-O 3.25Å; R104-M117 PolarHBondContact O-N 3.41Å; V106-M117 HydrophobicContact CB-CB 4.43Å; V106-M117 HydrophobicContact CG1-CB 3.67Å; V106-M117 HydrophobicContact CG1-CE 3.66Å; V106-M117 HydrophobicContact CG1-CG 4.48Å; V106-M117 HydrophobicContact CG1-SD 4.11Å; V106-M117 HydrophobicContact CG2-CB 3.82Å; M117-I119 HydrophobicContact CE-CD1 3.83Å; M117-I119 HydrophobicContact CE-CG1 3.95Å; M117-I119 HydrophobicContact CG-CG1 4.13Å; M117-Y163 HydrophobicContact CE-CD1 4.45Å; M117-Y163 HydrophobicContact CG-CD1 4.32Å; M117-Y163 HydrophobicContact SD-CD1 3.94Å; M117-L164 CarbonylContact C-O 3.57Å; M117-L164 WeakPolarHBondContact CA-O 3.47Å; M117-L165 HydrophobicContact CB-CD1 3.81Å; M117-L165 HydrophobicContact CG-CD1 4.03Å; M117-L165 HydrophobicContact CG-CD2 3.92Å; M117-L165 HydrophobicContact SD-CD1 4.31Å; M117-L165 HydrophobicContact SD-CD2 4.2Å; M117-L419 HydrophobicContact CE-CD1 4.25Å
118	K	91	Very high	84.8	Confident	24 Å²	24	43.1 Å²	43.1	10%	0.104	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.2	170.2	-171.6	173.7	-175.5	-179.1	0	108.8	V103 L120 E137 Y163 L164 M166 D230	V103-K118 HydrophobicContact CG2-CB 4.31Å; V103-K118 HydrophobicContact CG2-CG 4.18Å; K118-L120 HydrophobicContact CG-CD2 4.31Å; K118-L120 HydrophobicContact CG-CG 4.38Å; K118-E137 IonicContact NZ-OE1 3.93Å; K118-E137 PolarHBondContact NZ-OE1 3.45Å; K118-E137 IonicContact NZ-OE2 3.76Å; K118-Y163 WeakPolarHBondContact O-CA 3.38Å; K118-L164 HydrophobicContact CB-CB 4.31Å; K118-L164 HydrophobicContact CB-CD1 4.39Å; K118-L164 PolarHBondContact N-O 3.5Å; K118-L164 PolarHBondContact O-N 3.5Å; K118-M166 HydrophobicContact CB-CE 3.77Å; K118-M166 HydrophobicContact CD-CE 4.35Å; K118-D230 IonicContact NZ-OD1 2.76Å; K118-D230 PolarHBondContact NZ-OD1 3.19Å
119	I	90.1	Very high	83.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.1	-178.6	-53.1	157	0	0	0	107.2	G101 E102 R104 M117 N161 L162 Y163 I418 L419	G101-I119 VanDerWaalsContact CA-O 3.25Å; G101-I119 WeakPolarHBondContact CA-O 3.43Å; E102-I119 HydrophobicContact CG-CD1 4.05Å; E102-I119 PolarHBondContact N-O 3.13Å; E102-I119 VanDerWaalsContact N-O 3.13Å; E102-I119 PolarHBondContact O-N 3.19Å; R104-I119 HydrophobicContact CG-CD1 3.96Å; M117-I119 HydrophobicContact CE-CD1 3.83Å; M117-I119 HydrophobicContact CE-CG1 3.95Å; M117-I119 HydrophobicContact CG-CG1 4.13Å; I119-N161 HydrophobicContact CG2-CB 4.03Å; I119-L162 WeakPolarHBondContact CA-O 3.43Å; I119-Y163 HydrophobicContact CG1-CD1 3.99Å; I119-Y163 HydrophobicContact CG1-CE1 4.07Å; I119-Y163 HydrophobicContact CG2-CD1 4.26Å; I119-Y163 HydrophobicContact CG2-CE1 3.87Å; I119-I418 HydrophobicContact CD1-CG2 3.81Å; I119-I418 HydrophobicContact CG2-CG2 4.24Å; I119-L419 HydrophobicContact CD1-CD1 4.33Å; I119-L419 HydrophobicContact CD1-CD2 3.57Å; I119-L419 HydrophobicContact CD1-CG 4Å; I119-L419 HydrophobicContact CG1-CD2 4.32Å; I119-L419 HydrophobicContact CG2-CD2 4.43Å
120	L	86	Confident	82.7	Confident	11 Å²	11	44.9 Å²	44.9	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.9	-179.5	-59.1	169.9	0	0	0	110.1	F100 K118 K122 I134 N161 L162 L164	F100-L120 HydrophobicContact CB-CD2 4.17Å; K118-L120 HydrophobicContact CG-CD2 4.31Å; K118-L120 HydrophobicContact CG-CG 4.38Å; L120-K122 PolarHBondContact O-N 3.35Å; L120-I134 HydrophobicContact CD1-CG1 4.43Å; L120-N161 CarbonylContact O-C 3.54Å; L120-N161 VanDerWaalsContact O-CA 3.27Å; L120-N161 WeakPolarHBondContact O-CA 3.22Å; L120-L162 HydrophobicContact CB-CB 4.28Å; L120-L162 PolarHBondContact N-O 2.74Å; L120-L162 PolarHBondContact O-N 2.81Å; L120-L164 HydrophobicContact CD1-CD1 3.79Å; L120-L164 HydrophobicContact CG-CD1 4.45Å
121	R	83.9	Confident	82	Confident	111 Å²	111	41.7 Å²	41.7	42%	0.419	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.2	-179.9	-65.6	178.1	-179.1	-178.7	0.4	110.9	F100 A123 D124 M125 I418	F100-R121 PolarHBondContact O-N 3Å; R121-A123 VanDerWaalsContact C-N 3.28Å; R121-A123 PolarHBondContact O-N 3.1Å; R121-D124 HydrophobicContact CB-CB 4.23Å; R121-D124 WeakPolarHBondContact CD-OD2 3.44Å; R121-D124 PolarHBondContact O-N 2.72Å; R121-M125 VanDerWaalsContact O-CG 3.3Å; R121-M125 WeakPolarHBondContact O-CG 3.31Å; R121-M125 PolarHBondContact O-N 2.81Å; R121-I418 HydrophobicContact CG-CD1 4.26Å; R121-I418 HydrophobicContact CG-CG1 4.43Å
122	K	84.1	Confident	81.1	Confident	1 Å²	1	42 Å²	42	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-36.9	-179.2	-75.2	177.5	166.2	-172.9	0	113	L120 M125 L126 D158 M160 L162 Y441 D445 F448	L120-K122 PolarHBondContact O-N 3.35Å; K122-M125 WeakPolarHBondContact O-CB 3.33Å; K122-M125 PolarHBondContact O-N 3.45Å; K122-L126 PolarHBondContact O-N 2.72Å; K122-D158 WeakPolarHBondContact CE-O 3.5Å; K122-D158 PolarHBondContact NZ-O 3.27Å; K122-M160 WeakPolarHBondContact CB-O 3.34Å; K122-M160 PolarHBondContact N-O 3.43Å; K122-L162 HydrophobicContact CD-CD2 4.31Å; K122-L162 VanDerWaalsContact CE-CD2 3.4Å; K122-L162 HydrophobicContact CG-CD2 4Å; K122-L162 HydrophobicContact CG-CG 3.85Å; K122-Y441 HydrophobicContact CB-CE2 3.96Å; K122-Y441 WeakPolarHBondContact CB-OH 3.4Å; K122-Y441 WeakPolarHBondContact CD-OH 3.46Å; K122-D445 IonicContact NZ-OD1 2.7Å; K122-D445 PolarHBondContact NZ-OD1 3.1Å; K122-D445 IonicContact NZ-OD2 3.38Å; K122-F448 HydrophobicContact CB-CE2 4.08Å; K122-F448 HydrophobicContact CB-CZ 4.36Å; K122-F448 HydrophobicContact CD-CD2 4.09Å; K122-F448 HydrophobicContact CD-CE2 4.11Å; K122-F448 HydrophobicContact CG-CD2 4.24Å; K122-F448 HydrophobicContact CG-CE2 3.88Å; K122-F448 HydrophobicContact CG-CZ 4.21Å
123	A	79.9	Confident	80.3	Confident	56 Å²	56	42.5 Å²	42.5	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-58.2	-49.1	177.4	0	0	0	0	0	111.6	R121 M125 L126 E127	R121-A123 VanDerWaalsContact C-N 3.28Å; R121-A123 PolarHBondContact O-N 3.1Å; A123-M125 PolarHBondContact O-N 3.05Å; A123-L126 PolarHBondContact O-N 3.19Å; A123-E127 WeakPolarHBondContact O-CB 3.38Å; A123-E127 PolarHBondContact O-N 3.23Å
124	D	76.8	Confident	79.5	Confident	34 Å²	34	39.5 Å²	39.5	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-30.4	178.8	-61.5	-6	0	0	0	111.6	R121 K128	R121-D124 HydrophobicContact CB-CB 4.23Å; R121-D124 WeakPolarHBondContact CD-OD2 3.44Å; R121-D124 PolarHBondContact O-N 2.72Å; D124-K128 WeakPolarHBondContact O-CB 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.17Å; D124-K128 PolarHBondContact O-N 3.03Å
125	M	77	Confident	78.5	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-73.1	-38.2	177.8	-60.6	-63.5	88.4	0	0	113	F100 R121 K122 A123 E129 Q130 I134 F448	F100-M125 HydrophobicContact CB-CE 3.43Å; F100-M125 VanDerWaalsContact CB-CE 3.43Å; F100-M125 HydrophobicContact CD1-CE 3.33Å; F100-M125 HydrophobicContact CD2-CE 4.23Å; F100-M125 HydrophobicContact CE1-CE 4.13Å; F100-M125 HydrophobicContact CG-CE 3.4Å; R121-M125 VanDerWaalsContact O-CG 3.3Å; R121-M125 WeakPolarHBondContact O-CG 3.31Å; R121-M125 PolarHBondContact O-N 2.81Å; K122-M125 WeakPolarHBondContact O-CB 3.33Å; K122-M125 PolarHBondContact O-N 3.45Å; A123-M125 PolarHBondContact O-N 3.05Å; M125-E129 PolarHBondContact O-N 3.45Å; M125-Q130 HydrophobicContact CB-CB 4.35Å; M125-Q130 HydrophobicContact CE-CB 4.1Å; M125-Q130 HydrophobicContact CE-CG 4.24Å; M125-Q130 PolarHBondContact O-N 3.48Å; M125-Q130 HydrophobicContact SD-CB 3.79Å; M125-I134 HydrophobicContact CB-CD1 3.8Å; M125-I134 HydrophobicContact CG-CD1 3.33Å; M125-I134 HydrophobicContact SD-CD1 3.23Å; M125-I134 WeakPolarHBondContact SD-CD1 3.29Å; M125-I134 HydrophobicContact SD-CG1 3.82Å; M125-F448 HydrophobicContact CB-CZ 4.26Å
126	L	73	Confident	77.4	Confident	41 Å²	41	47 Å²	47	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-74.4	-47.7	177	-71.7	171.4	0	0	0	111.3	K122 A123 K128 E129 V131 Y441 K444 V447 F448	K122-L126 PolarHBondContact O-N 2.72Å; A123-L126 PolarHBondContact O-N 3.19Å; L126-K128 PolarHBondContact O-N 3.15Å; L126-E129 PolarHBondContact O-N 3.41Å; L126-E129 VanDerWaalsContact O-N 3.16Å; L126-V131 HydrophobicContact CD2-CG2 3.96Å; L126-Y441 HydrophobicContact CD1-CD2 4.25Å; L126-Y441 HydrophobicContact CD1-CE2 4.32Å; L126-K444 HydrophobicContact CD1-CB 4.12Å; L126-K444 HydrophobicContact CD2-CB 4.25Å; L126-V447 HydrophobicContact CD2-CG2 3.93Å; L126-F448 HydrophobicContact CD1-CE2 4.39Å; L126-F448 HydrophobicContact CD2-CE2 4.36Å; L126-F448 HydrophobicContact CD2-CZ 4.34Å; L126-F448 HydrophobicContact CG-CE2 4.27Å; L126-F448 HydrophobicContact CG-CZ 4.25Å
127	E	71	Confident	76.4	Confident	154 Å²	154	46.9 Å²	46.9	72%	0.72	24%	0.24	S	C	*	.	H	α-helix	trans	-58.2	-33.9	-178.1	-175.6	179.8	-169.3	0	0	112	A123	A123-E127 WeakPolarHBondContact O-CB 3.38Å; A123-E127 PolarHBondContact O-N 3.23Å
128	K	67.8	Low	75.6	Confident	77 Å²	77	47.9 Å²	47.9	34%	0.335	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	8.9	-175.9	-59.3	175.2	-176.2	173.3	0	113.4	F100 D124 L126 Q130	F100-K128 HydrophobicContact CD1-CD 4.16Å; F100-K128 HydrophobicContact CE1-CD 3.49Å; F100-K128 VanDerWaalsContact CE1-CD 3.49Å; D124-K128 WeakPolarHBondContact O-CB 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.17Å; D124-K128 PolarHBondContact O-N 3.03Å; L126-K128 PolarHBondContact O-N 3.15Å; K128-Q130 HydrophobicContact CB-CG 3.7Å; K128-Q130 WeakPolarHBondContact O-CG 3.41Å; K128-Q130 PolarHBondContact O-N 2.86Å; K128-Q130 PolarHBondContact O-NE2 3.43Å
129	E	69.3	Low	74.8	Confident	170 Å²	170	49.2 Å²	49.2	79%	0.794	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	44.7	179.2	-58.2	-178.7	172.2	0	0	114	M125 L126	M125-E129 PolarHBondContact O-N 3.45Å; L126-E129 PolarHBondContact O-N 3.41Å; L126-E129 VanDerWaalsContact O-N 3.16Å
130	Q	68.4	Low	74	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.014	25%	0.253	C	S	.	.			trans	-99.5	-0.5	-170.1	-61.2	-59.2	-44	0	0	115	M125 K128 G132 H133 I134 L237	M125-Q130 HydrophobicContact CB-CB 4.35Å; M125-Q130 HydrophobicContact CE-CB 4.1Å; M125-Q130 HydrophobicContact CE-CG 4.24Å; M125-Q130 PolarHBondContact O-N 3.48Å; M125-Q130 HydrophobicContact SD-CB 3.79Å; K128-Q130 HydrophobicContact CB-CG 3.7Å; K128-Q130 WeakPolarHBondContact O-CG 3.41Å; K128-Q130 PolarHBondContact O-N 2.86Å; K128-Q130 PolarHBondContact O-NE2 3.43Å; Q130-G132 VanDerWaalsContact C-N 3.31Å; Q130-G132 PolarHBondContact O-N 2.98Å; Q130-H133 WeakPolarHBondContact O-CB 3.48Å; Q130-H133 PolarHBondContact O-N 2.98Å; Q130-H133 VanDerWaalsContact O-N 3.08Å; Q130-H133 PolarHBondContact OE1-CE1 3.39Å; Q130-H133 PolarHBondContact OE1-ND1 2.96Å; Q130-I134 PolarHBondContact O-N 3.45Å; Q130-L237 VanDerWaalsContact OE1-CD1 3.3Å
131	V	70.8	Confident	73.6	Confident	23 Å²	23	48.9 Å²	48.9	14%	0.139	25%	0.25	C	S	.	.	H	α-helix	trans	-62.1	-38.6	-172.4	-177.2	0	0	0	0	112.4	L126 H133 I134 R135 V447 F448	L126-V131 HydrophobicContact CD2-CG2 3.96Å; V131-H133 PolarHBondContact O-N 3.13Å; V131-I134 PolarHBondContact O-N 3Å; V131-R135 WeakPolarHBondContact O-CG 3.42Å; V131-R135 PolarHBondContact O-N 3.46Å; V131-V447 HydrophobicContact CB-CG2 4.46Å; V131-V447 HydrophobicContact CG1-CB 3.97Å; V131-V447 HydrophobicContact CG1-CG2 3.82Å; V131-V447 HydrophobicContact CG2-CG2 3.89Å; V131-F448 HydrophobicContact CB-CE1 4.37Å; V131-F448 HydrophobicContact CG1-CD1 4.2Å; V131-F448 HydrophobicContact CG1-CE1 3.9Å; V131-F448 HydrophobicContact CG2-CE1 3.83Å; V131-F448 HydrophobicContact CG2-CZ 3.85Å
132	G	66.3	Low	73.2	Confident	49 Å²	49	45.5 Å²	45.5	51%	0.505	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-36.4	176.9	0	0	0	0	0	112.5	Q130 R135 A136	Q130-G132 VanDerWaalsContact C-N 3.31Å; Q130-G132 PolarHBondContact O-N 2.98Å; G132-R135 PolarHBondContact O-N 3.15Å; G132-A136 PolarHBondContact O-N 3.19Å
133	H	68.3	Low	72.5	Confident	40 Å²	40	51.4 Å²	51.4	19%	0.185	27%	0.27	C	S	.	.	H	α-helix	trans	-72.6	-41.9	-178.1	-51.7	130.7	0	0	0	112.6	Q130 V131 R135 A136 E137 G232 T235 L237	Q130-H133 WeakPolarHBondContact O-CB 3.48Å; Q130-H133 PolarHBondContact O-N 2.98Å; Q130-H133 VanDerWaalsContact O-N 3.08Å; Q130-H133 PolarHBondContact OE1-CE1 3.39Å; Q130-H133 PolarHBondContact OE1-ND1 2.96Å; V131-H133 PolarHBondContact O-N 3.13Å; H133-R135 PolarHBondContact O-N 3.35Å; H133-A136 WeakPolarHBondContact O-CB 3.48Å; H133-A136 PolarHBondContact O-N 3.49Å; H133-A136 VanDerWaalsContact O-N 3.15Å; H133-E137 PolarHBondContact O-N 2.9Å; H133-G232 WeakPolarHBondContact CB-O 3.45Å; H133-T235 PolarHBondContact CD2-OG1 2.88Å; H133-T235 PolarHBondContact NE2-OG1 3.4Å; H133-L237 WeakPolarHBondContact ND1-CD2 3.45Å
134	I	71.9	Confident	72	Confident	7 Å²	7	48.9 Å²	48.9	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-39.2	174.5	-59.9	166.7	0	0	0	110.7	L120 M125 Q130 V131 E137 R138 L162 F448 Y451	L120-I134 HydrophobicContact CD1-CG1 4.43Å; M125-I134 HydrophobicContact CB-CD1 3.8Å; M125-I134 HydrophobicContact CG-CD1 3.33Å; M125-I134 HydrophobicContact SD-CD1 3.23Å; M125-I134 WeakPolarHBondContact SD-CD1 3.29Å; M125-I134 HydrophobicContact SD-CG1 3.82Å; Q130-I134 PolarHBondContact O-N 3.45Å; V131-I134 PolarHBondContact O-N 3Å; I134-E137 PolarHBondContact O-N 3.24Å; I134-R138 WeakPolarHBondContact O-CB 3.44Å; I134-R138 PolarHBondContact O-N 3.47Å; I134-L162 HydrophobicContact CD1-CD1 3.64Å; I134-L162 HydrophobicContact CG2-CD1 4.02Å; I134-F448 HydrophobicContact CD1-CE1 4.27Å; I134-Y451 HydrophobicContact CG2-CD2 4.19Å; I134-Y451 HydrophobicContact CG2-CE2 3.56Å
135	R	72.1	Confident	71.7	Confident	135 Å²	135	52.8 Å²	52.8	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-45.2	175.6	-71.9	177.6	62.8	176.4	-0.2	110.8	V131 G132 H133 R138 D139	V131-R135 WeakPolarHBondContact O-CG 3.42Å; V131-R135 PolarHBondContact O-N 3.46Å; G132-R135 PolarHBondContact O-N 3.15Å; H133-R135 PolarHBondContact O-N 3.35Å; R135-R138 PolarHBondContact O-N 2.79Å; R135-D139 VanDerWaalsContact O-CB 3.3Å; R135-D139 WeakPolarHBondContact O-CB 3.37Å; R135-D139 PolarHBondContact O-N 2.84Å
136	A	69.1	Low	71.9	Confident	36 Å²	36	53.6 Å²	53.6	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-46.9	175.5	0	0	0	0	0	112.2	G132 H133 R138 D139 I140	G132-A136 PolarHBondContact O-N 3.19Å; H133-A136 WeakPolarHBondContact O-CB 3.48Å; H133-A136 PolarHBondContact O-N 3.49Å; H133-A136 VanDerWaalsContact O-N 3.15Å; A136-R138 PolarHBondContact O-N 2.81Å; A136-D139 PolarHBondContact O-N 3.41Å; A136-I140 VanDerWaalsContact O-CG1 3.28Å; A136-I140 WeakPolarHBondContact O-CG1 3.38Å; A136-I140 PolarHBondContact O-N 3.26Å
137	E	75	Confident	72.7	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-50.1	176.9	-171	177.5	178.7	0	0	111.2	K118 H133 I134 D139 I140 L141 F231 G232	K118-E137 IonicContact NZ-OE1 3.93Å; K118-E137 PolarHBondContact NZ-OE1 3.45Å; K118-E137 IonicContact NZ-OE2 3.76Å; H133-E137 PolarHBondContact O-N 2.9Å; I134-E137 PolarHBondContact O-N 3.24Å; E137-D139 PolarHBondContact O-N 3.27Å; E137-I140 PolarHBondContact O-N 3.17Å; E137-L141 HydrophobicContact CG-CD1 4.03Å; E137-L141 WeakPolarHBondContact O-CB 3.36Å; E137-L141 VanDerWaalsContact O-CG 3.26Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 2.95Å; E137-F231 HydrophobicContact CG-CB 4.33Å; E137-G232 WeakPolarHBondContact OE2-CA 3.45Å
138	R	75.5	Confident	73.7	Confident	23 Å²	23	51.5 Å²	51.5	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-48.5	177.4	-176.2	-158	66.3	-167.9	-7	110.6	I134 R135 A136 I140 L141 V142 M152 N450	I134-R138 WeakPolarHBondContact O-CB 3.44Å; I134-R138 PolarHBondContact O-N 3.47Å; R135-R138 PolarHBondContact O-N 2.79Å; A136-R138 PolarHBondContact O-N 2.81Å; R138-I140 PolarHBondContact O-N 3.21Å; R138-L141 PolarHBondContact O-N 3.46Å; R138-V142 HydrophobicContact CG-CG2 4.2Å; R138-V142 WeakPolarHBondContact O-CB 3.4Å; R138-V142 VanDerWaalsContact O-CG2 3.22Å; R138-V142 WeakPolarHBondContact O-CG2 3.3Å; R138-V142 PolarHBondContact O-N 3.05Å; R138-M152 HydrophobicContact CG-CE 4.32Å; R138-N450 PolarHBondContact NH1-O 3.28Å
139	D	73.9	Confident	74.8	Confident	53 Å²	53	48 Å²	48	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-40.5	-174.8	-67.2	-11.2	0	0	0	111.2	R135 A136 E137 V142 Q143	R135-D139 VanDerWaalsContact O-CB 3.3Å; R135-D139 WeakPolarHBondContact O-CB 3.37Å; R135-D139 PolarHBondContact O-N 2.84Å; A136-D139 PolarHBondContact O-N 3.41Å; E137-D139 PolarHBondContact O-N 3.27Å; D139-V142 PolarHBondContact O-N 2.83Å; D139-Q143 WeakPolarHBondContact O-CB 3.5Å; D139-Q143 VanDerWaalsContact O-CG 3.25Å; D139-Q143 WeakPolarHBondContact O-CG 3.45Å; D139-Q143 PolarHBondContact O-N 3Å
140	I	73.9	Confident	75.8	Confident	2 Å²	2	40 Å²	40	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-52.8	170.9	-68.3	166.4	0	0	0	110	A136 E137 R138 V142 Q143 A144 F208 F231	A136-I140 VanDerWaalsContact O-CG1 3.28Å; A136-I140 WeakPolarHBondContact O-CG1 3.38Å; A136-I140 PolarHBondContact O-N 3.26Å; E137-I140 PolarHBondContact O-N 3.17Å; R138-I140 PolarHBondContact O-N 3.21Å; I140-V142 VanDerWaalsContact C-N 3.26Å; I140-V142 PolarHBondContact O-N 3.29Å; I140-Q143 PolarHBondContact O-N 3.49Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 2.7Å; I140-F208 HydrophobicContact CD1-CB 4.22Å; I140-F208 HydrophobicContact CD1-CD1 3.63Å; I140-F208 HydrophobicContact CD1-CE1 4.13Å; I140-F208 HydrophobicContact CD1-CG 3.92Å; I140-F208 HydrophobicContact CG1-CB 4.42Å; I140-F208 HydrophobicContact CG1-CD1 3.37Å; I140-F208 HydrophobicContact CG1-CD2 3.97Å; I140-F208 HydrophobicContact CG1-CE1 3.42Å; I140-F208 VanDerWaalsContact CG1-CE1 3.42Å; I140-F208 HydrophobicContact CG1-CE2 4.02Å; I140-F208 HydrophobicContact CG1-CG 3.65Å; I140-F208 HydrophobicContact CG1-CZ 3.75Å; I140-F231 HydrophobicContact CB-CB 4.42Å; I140-F231 HydrophobicContact CB-CG 4.5Å; I140-F231 HydrophobicContact CD1-CB 3.79Å; I140-F231 HydrophobicContact CD1-CG 4.35Å; I140-F231 HydrophobicContact CG2-CB 4.25Å; I140-F231 HydrophobicContact CG2-CD1 4.03Å; I140-F231 HydrophobicContact CG2-CD2 4.06Å; I140-F231 HydrophobicContact CG2-CE1 4.46Å; I140-F231 HydrophobicContact CG2-CG 3.81Å
141	L	78.2	Confident	76.8	Confident	2 Å²	2	42 Å²	42	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-29.2	-177	-74.6	177.9	0	0	0	113.2	E137 R138 V149 V150 M152 L164 M166 F231 R455	E137-L141 HydrophobicContact CG-CD1 4.03Å; E137-L141 WeakPolarHBondContact O-CB 3.36Å; E137-L141 VanDerWaalsContact O-CG 3.26Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 2.95Å; R138-L141 PolarHBondContact O-N 3.46Å; L141-V149 HydrophobicContact CD2-CG1 3.92Å; L141-V150 VanDerWaalsContact CD2-O 3.24Å; L141-V150 WeakPolarHBondContact CD2-O 3.48Å; L141-M152 HydrophobicContact CB-CB 3.82Å; L141-M152 HydrophobicContact CB-CE 4.25Å; L141-M152 HydrophobicContact CB-SD 4.16Å; L141-M152 HydrophobicContact CD1-CB 4.32Å; L141-M152 HydrophobicContact CD1-SD 4.42Å; L141-L164 HydrophobicContact CD1-CD2 4.15Å; L141-M166 HydrophobicContact CD1-SD 4.37Å; L141-F231 HydrophobicContact CD2-CD2 3.84Å; L141-F231 HydrophobicContact CD2-CE2 3.84Å; L141-F231 HydrophobicContact CG-CD2 4.21Å; L141-R455 PolarHBondContact O-NH2 2.73Å
142	V	74.8	Confident	77.6	Confident	40 Å²	40	40.9 Å²	40.9	24%	0.242	22%	0.216	C	C	.	.	H	α-helix	trans	-70.9	-48	173.8	168.6	0	0	0	0	110.7	R138 D139 I140 M152 Y453 R455	R138-V142 HydrophobicContact CG-CG2 4.2Å; R138-V142 WeakPolarHBondContact O-CB 3.4Å; R138-V142 VanDerWaalsContact O-CG2 3.22Å; R138-V142 WeakPolarHBondContact O-CG2 3.3Å; R138-V142 PolarHBondContact O-N 3.05Å; D139-V142 PolarHBondContact O-N 2.83Å; I140-V142 VanDerWaalsContact C-N 3.26Å; I140-V142 PolarHBondContact O-N 3.29Å; V142-M152 HydrophobicContact CB-CE 4.32Å; V142-M152 HydrophobicContact CG2-CE 3.25Å; V142-Y453 HydrophobicContact CB-CE2 4.33Å; V142-Y453 HydrophobicContact CG1-CD2 4.17Å; V142-Y453 HydrophobicContact CG1-CE2 3.58Å; V142-Y453 HydrophobicContact CG2-CD1 3.93Å; V142-Y453 HydrophobicContact CG2-CD2 3.77Å; V142-Y453 HydrophobicContact CG2-CE1 3.97Å; V142-Y453 HydrophobicContact CG2-CE2 3.84Å; V142-Y453 HydrophobicContact CG2-CG 3.81Å; V142-R455 PolarHBondContact O-NH2 3.22Å
143	Q	69.3	Low	78.6	Confident	125 Å²	125	39.5 Å²	39.5	58%	0.584	20%	0.196	S	C	*	.	H	α-helix	trans	-79.8	-30.1	-173.8	-68.1	176.8	21.4	0	0	113	D139 I140 D145	D139-Q143 WeakPolarHBondContact O-CB 3.5Å; D139-Q143 VanDerWaalsContact O-CG 3.25Å; D139-Q143 WeakPolarHBondContact O-CG 3.45Å; D139-Q143 PolarHBondContact O-N 3Å; I140-Q143 PolarHBondContact O-N 3.49Å; Q143-D145 PolarHBondContact O-N 3.48Å
144	A	68.8	Low	79.5	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.025	19%	0.188	C	C	.	.			trans	-73.5	94.3	178.5	0	0	0	0	0	110.1	I140 V149 M206	I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 2.7Å; A144-V149 HydrophobicContact CB-CB 4.09Å; A144-V149 HydrophobicContact CB-CG1 3.89Å; A144-V149 HydrophobicContact CB-CG2 4.26Å; A144-M206 HydrophobicContact CB-CE 3.91Å; A144-M206 HydrophobicContact CB-SD 4.1Å
145	D	70.8	Confident	80.3	Confident	116 Å²	116	37.5 Å²	37.5	62%	0.62	19%	0.187	S	C	*	.			trans	-95.2	59.3	157.1	-162.5	38.5	0	0	0	108.8	Q143 K151	Q143-D145 PolarHBondContact O-N 3.48Å; D145-K151 IonicContact OD1-NZ 3.71Å; D145-K151 PolarHBondContact OD1-NZ 3.21Å
146	S	81.8	Confident	81.1	Confident	21 Å²	21	31.4 Å²	31.4	15%	0.147	16%	0.164	C	C	.	.			trans	-108.9	140.3	179.2	178.6	0	0	0	0	110	W148 V149 S202	S146-W148 PolarHBondContact O-N 2.9Å; S146-W148 VanDerWaalsContact O-N 3.16Å; S146-W148 PolarHBondContact OG-N 3.44Å; S146-V149 PolarHBondContact O-N 3.49Å; S146-S202 PolarHBondContact OG-OG 3.25Å
147	L	89.3	Confident	82	Confident	119 Å²	119	32.2 Å²	32.2	62%	0.623	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-25.3	173	-67.9	172.6	0	0	0	112.1	K227 R391	L147-K227 WeakPolarHBondContact O-CE 3.42Å; L147-K227 PolarHBondContact O-NZ 3.39Å; L147-R391 PolarHBondContact O-NH1 3.07Å; L147-R391 PolarHBondContact O-NH2 2.83Å
148	W	92.3	Very high	82.6	Confident	32 Å²	32	34.8 Å²	34.8	12%	0.121	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.8	-172.9	-57.6	108.6	0	0	0	114.9	S146 E195 L198 A199 K227 L228 I390 R391	S146-W148 PolarHBondContact O-N 2.9Å; S146-W148 VanDerWaalsContact O-N 3.16Å; S146-W148 PolarHBondContact OG-N 3.44Å; W148-E195 HydrophobicContact CH2-CB 4.35Å; W148-E195 HydrophobicContact CH2-CG 4.21Å; W148-E195 HydrophobicContact CZ3-CB 3.8Å; W148-E195 HydrophobicContact CZ3-CG 4.02Å; W148-L198 HydrophobicContact CD2-CB 4.2Å; W148-L198 HydrophobicContact CH2-CB 3.99Å; W148-L198 HydrophobicContact CH2-CD1 3.73Å; W148-L198 HydrophobicContact CZ2-CB 3.6Å; W148-L198 HydrophobicContact CZ2-CD1 3.5Å; W148-L198 VanDerWaalsContact CZ2-CD1 3.5Å; W148-L198 HydrophobicContact CZ2-CG 4.2Å; W148-L198 HydrophobicContact CZ3-CB 4.42Å; W148-A199 HydrophobicContact CB-CB 3.67Å; W148-A199 HydrophobicContact CD2-CB 4.19Å; W148-A199 HydrophobicContact CE3-CB 3.97Å; W148-A199 HydrophobicContact CG-CB 4.09Å; W148-K227 CarbonylContact O-C 3.49Å; W148-K227 WeakPolarHBondContact O-CA 3.41Å; W148-L228 PolarHBondContact O-N 3.38Å; W148-I390 HydrophobicContact CH2-CG2 4.25Å; W148-R391 HydrophobicContact CH2-CB 4.24Å; W148-R391 HydrophobicContact CH2-CG 4.38Å
149	V	91.1	Very high	83	Confident	2 Å²	2	42 Å²	42	1%	0.012	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-117.1	143.3	-177.4	175.2	0	0	0	0	109.1	L141 A144 S146 K151 I203 K227 F231	L141-V149 HydrophobicContact CD2-CG1 3.92Å; A144-V149 HydrophobicContact CB-CB 4.09Å; A144-V149 HydrophobicContact CB-CG1 3.89Å; A144-V149 HydrophobicContact CB-CG2 4.26Å; S146-V149 PolarHBondContact O-N 3.49Å; V149-K151 PolarHBondContact O-N 3.01Å; V149-I203 HydrophobicContact CG2-CG2 3.67Å; V149-K227 PolarHBondContact O-NZ 3.43Å; V149-F231 HydrophobicContact CB-CZ 4.21Å; V149-F231 HydrophobicContact CG1-CD2 4.47Å; V149-F231 HydrophobicContact CG1-CE2 3.42Å; V149-F231 VanDerWaalsContact CG1-CE2 3.42Å; V149-F231 HydrophobicContact CG1-CZ 3.52Å; V149-F231 HydrophobicContact CG2-CZ 3.85Å
150	V	90.9	Very high	83.4	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.018	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-59.8	128.5	173.4	174.3	0	0	0	0	110.5	L141 M152 M166 E167 L169 L219 K227 L228	L141-V150 VanDerWaalsContact CD2-O 3.24Å; L141-V150 WeakPolarHBondContact CD2-O 3.48Å; V150-M152 PolarHBondContact O-N 3.43Å; V150-M166 HydrophobicContact CG1-CB 3.81Å; V150-M166 HydrophobicContact CG1-CG 4.27Å; V150-M166 HydrophobicContact CG1-SD 4.2Å; V150-E167 HydrophobicContact CG1-CG 3.93Å; V150-L169 HydrophobicContact CG2-CD1 3.69Å; V150-L219 HydrophobicContact CG2-CD1 3.99Å; V150-K227 HydrophobicContact CG2-CB 4.18Å; V150-L228 WeakPolarHBondContact CG2-O 3.39Å; V150-L228 PolarHBondContact N-O 3.17Å
151	K	88	Confident	84.1	Confident	44 Å²	44	43.8 Å²	43.8	19%	0.191	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-77.3	118.1	-178.9	-158.4	169.4	-175.8	131.6	0	110.9	D145 V149 F153 M166 E167	D145-K151 IonicContact OD1-NZ 3.71Å; D145-K151 PolarHBondContact OD1-NZ 3.21Å; V149-K151 PolarHBondContact O-N 3.01Å; K151-F153 HydrophobicContact CD-CE1 4.4Å; K151-F153 HydrophobicContact CD-CZ 4.3Å; K151-M166 CarbonylContact O-C 3.52Å; K151-M166 WeakPolarHBondContact O-CA 3.38Å; K151-E167 HydrophobicContact CB-CB 4.43Å; K151-E167 HydrophobicContact CB-CG 4.04Å; K151-E167 VanDerWaalsContact CB-OE1 3.27Å; K151-E167 WeakPolarHBondContact CB-OE1 3.35Å; K151-E167 PolarHBondContact N-OE1 3.49Å; K151-E167 PolarHBondContact O-N 3.26Å
152	M	87.8	Confident	84.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.4	168.5	-173.6	-171.3	63.8	0	0	111.5	R138 L141 V142 V150 L164 M166 Y453 R455	R138-M152 HydrophobicContact CG-CE 4.32Å; L141-M152 HydrophobicContact CB-CB 3.82Å; L141-M152 HydrophobicContact CB-CE 4.25Å; L141-M152 HydrophobicContact CB-SD 4.16Å; L141-M152 HydrophobicContact CD1-CB 4.32Å; L141-M152 HydrophobicContact CD1-SD 4.42Å; V142-M152 HydrophobicContact CB-CE 4.32Å; V142-M152 HydrophobicContact CG2-CE 3.25Å; V150-M152 PolarHBondContact O-N 3.43Å; M152-L164 HydrophobicContact SD-CD2 4.22Å; M152-M166 HydrophobicContact CB-CG 4.46Å; M152-Y453 HydrophobicContact CE-CD1 3.35Å; M152-Y453 HydrophobicContact CE-CE1 3.66Å; M152-Y453 HydrophobicContact CE-CG 4.11Å; M152-R455 VanDerWaalsContact O-CD 3.23Å; M152-R455 WeakPolarHBondContact O-CD 3.25Å; M152-R455 PolarHBondContact O-NE 3.34Å; M152-R455 VanDerWaalsContact O-NE 3.08Å; M152-R455 PolarHBondContact O-NH1 2.82Å
153	F	87.1	Confident	85.3	Confident	20 Å²	20	41.9 Å²	41.9	9%	0.088	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-45.9	177.6	-69.1	-78.8	0	0	0	113	Y115 K151 L165 E167 R455	Y115-F153 AromaticContact CD1-CD2 3.72Å; Y115-F153 HydrophobicContact CD1-CD2 3.72Å; Y115-F153 HydrophobicContact CD1-CE2 4.18Å; Y115-F153 HydrophobicContact CD1-CG 4.41Å; Y115-F153 HydrophobicContact CE1-CB 4.24Å; Y115-F153 AromaticContact CE1-CD2 3.52Å; Y115-F153 HydrophobicContact CE1-CD2 3.52Å; Y115-F153 AromaticContact CE1-CE2 3.92Å; Y115-F153 HydrophobicContact CE1-CE2 3.92Å; Y115-F153 AromaticContact CE1-CG 3.87Å; Y115-F153 HydrophobicContact CE1-CG 3.87Å; K151-F153 HydrophobicContact CD-CE1 4.4Å; K151-F153 HydrophobicContact CD-CZ 4.3Å; F153-L165 PolarHBondContact N-O 3.45Å; F153-E167 HydrophobicContact CE2-CB 3.88Å; F153-R455 VanDerWaalsContact O-CB 3.31Å; F153-R455 WeakPolarHBondContact O-CB 3.12Å; F153-R455 PolarHBondContact O-N 3.13Å
154	Y	88.1	Confident	86.3	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.5	-175.4	-41.8	-71.8	0	0	0	110.3	L79 L84 F89 Y115 L165 Y453 K454 G458	L79-Y154 HydrophobicContact CD2-CE1 4.38Å; L84-Y154 HydrophobicContact CD1-CD1 3.64Å; L84-Y154 HydrophobicContact CD1-CE1 4.11Å; L84-Y154 HydrophobicContact CD1-CG 3.87Å; F89-Y154 HydrophobicContact CZ-CD2 4.38Å; Y115-Y154 HydrophobicContact CE1-CE2 4.17Å; Y115-Y154 HydrophobicContact CE2-CE2 4.46Å; Y115-Y154 AromaticContact CZ-CE2 3.93Å; Y154-L165 HydrophobicContact CD2-CB 3.83Å; Y154-L165 HydrophobicContact CD2-CG 4.21Å; Y154-L165 HydrophobicContact CG-CB 4.4Å; Y154-L165 PolarHBondContact N-O 3.14Å; Y154-L165 PolarHBondContact O-N 3.33Å; Y154-Y453 WeakPolarHBondContact CA-O 3.48Å; Y154-K454 HydrophobicContact CD1-CB 4.2Å; Y154-K454 HydrophobicContact CD1-CG 4.19Å; Y154-G458 WeakPolarHBondContact OH-CA 3.41Å; Y154-G458 PolarHBondContact OH-O 2.77Å
155	S	89.1	Confident	87.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.5	160.4	60.4	0	0	0	0	108.4	Y163 Y451 T452 Y453	S155-Y163 WeakPolarHBondContact CA-O 3.31Å; S155-Y163 WeakPolarHBondContact CB-O 3.4Å; S155-Y451 WeakPolarHBondContact CB-O 3.27Å; S155-Y451 PolarHBondContact OG-O 3.23Å; S155-T452 CarbonylContact O-C 3.57Å; S155-T452 VanDerWaalsContact O-CA 3.22Å; S155-T452 WeakPolarHBondContact O-CA 3.4Å; S155-T452 WeakPolarHBondContact O-CG2 3.44Å; S155-Y453 PolarHBondContact N-O 2.99Å; S155-Y453 PolarHBondContact O-N 3.04Å; S155-Y453 VanDerWaalsContact OG-CB 3.24Å; S155-Y453 WeakPolarHBondContact OG-CB 3.49Å; S155-Y453 PolarHBondContact OG-N 3.18Å
156	F	88.9	Confident	88.4	Confident	6 Å²	6	31.2 Å²	31.2	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	170.5	175.9	59.9	-93.7	0	0	0	109.7	L84 F89 Y163 L165 Y451	L84-F156 HydrophobicContact CB-CD1 4.33Å; F89-F156 HydrophobicContact CD2-CE1 4.3Å; F89-F156 HydrophobicContact CD2-CZ 4.15Å; F89-F156 AromaticContact CE2-CE1 3.67Å; F89-F156 HydrophobicContact CE2-CE1 3.67Å; F89-F156 AromaticContact CE2-CZ 3.96Å; F89-F156 HydrophobicContact CE2-CZ 3.96Å; F89-F156 HydrophobicContact CZ-CE1 4.33Å; F156-Y163 AromaticContact CD2-CD2 3.47Å; F156-Y163 HydrophobicContact CD2-CD2 3.47Å; F156-Y163 VanDerWaalsContact CD2-CD2 3.47Å; F156-Y163 HydrophobicContact CD2-CE2 4.26Å; F156-Y163 AromaticContact CD2-CG 3.87Å; F156-Y163 HydrophobicContact CD2-CG 3.87Å; F156-Y163 HydrophobicContact CE2-CD1 4.11Å; F156-Y163 AromaticContact CE2-CD2 3.33Å; F156-Y163 HydrophobicContact CE2-CD2 3.33Å; F156-Y163 AromaticContact CE2-CE2 3.97Å; F156-Y163 HydrophobicContact CE2-CE2 3.97Å; F156-Y163 AromaticContact CE2-CG 3.41Å; F156-Y163 HydrophobicContact CE2-CG 3.41Å; F156-Y163 VanDerWaalsContact CE2-CG 3.41Å; F156-Y163 HydrophobicContact CG-CD2 4.45Å; F156-Y163 HydrophobicContact CZ-CD1 4.36Å; F156-Y163 HydrophobicContact CZ-CD2 4.24Å; F156-Y163 AromaticContact CZ-CG 3.86Å; F156-Y163 HydrophobicContact CZ-CG 3.86Å; F156-Y163 PolarHBondContact N-O 2.85Å; F156-Y163 VanDerWaalsContact N-O 3.11Å; F156-Y163 WeakPolarHBondContact O-CB 3.06Å; F156-Y163 WeakPolarHBondContact O-CD2 3.25Å; F156-Y163 PolarHBondContact O-N 2.92Å; F156-L165 HydrophobicContact CD1-CD2 4.14Å; F156-L165 HydrophobicContact CE1-CD2 3.37Å; F156-L165 HydrophobicContact CE1-CG 4.28Å; F156-L165 HydrophobicContact CZ-CD2 4.01Å; F156-Y451 WeakPolarHBondContact O-CE1 3.48Å
157	Q	87.9	Confident	88.8	Confident	53 Å²	53	32.3 Å²	32.3	25%	0.248	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.6	-176.5	63.5	-176.1	-56.5	0	0	110	N161 L162 F448 Y451	Q157-N161 WeakPolarHBondContact CA-O 3.42Å; Q157-L162 HydrophobicContact CB-CD2 3.64Å; Q157-F448 PolarHBondContact NE2-O 3.2Å; Q157-F448 VanDerWaalsContact OE1-CB 3.31Å; Q157-Y451 HydrophobicContact CB-CD1 4.1Å
158	D	86.4	Confident	89	Confident	61 Å²	61	27.8 Å²	27.8	33%	0.326	13%	0.128	S	C	.	.			trans	-120.8	-159.8	167	67.6	23.9	0	0	0	110.4	K122 M160 N161 Y163	K122-D158 WeakPolarHBondContact CE-O 3.5Å; K122-D158 PolarHBondContact NZ-O 3.27Å; D158-M160 VanDerWaalsContact C-N 3.28Å; D158-M160 PolarHBondContact O-N 3.01Å; D158-M160 WeakPolarHBondContact OD1-CA 3.33Å; D158-M160 PolarHBondContact OD1-N 2.97Å; D158-N161 PolarHBondContact N-O 3.11Å; D158-N161 PolarHBondContact OD1-N 3.13Å; D158-Y163 HydrophobicContact CB-CE2 4.18Å; D158-Y163 VanDerWaalsContact OD2-CE2 3.29Å; D158-Y163 WeakPolarHBondContact OD2-CE2 3.46Å; D158-Y163 VanDerWaalsContact OD2-CZ 3.3Å; D158-Y163 PolarHBondContact OD2-OH 3.11Å
159	K	84.3	Confident	89.1	Confident	175 Å²	175	26.8 Å²	26.8	76%	0.761	13%	0.125	S	C	*	.	S	Bend	trans	-68.6	-22.2	179.3	-68.1	-176.2	-177.6	175.1	0	113.7	Y441	K159-Y441 WeakPolarHBondContact O-CE1 3.44Å; K159-Y441 PolarHBondContact O-OH 3.47Å
160	M	83.9	Confident	89.2	Confident	85 Å²	85	27.1 Å²	27.1	42%	0.419	13%	0.127	S	C	.	.	S	Bend	trans	-118.5	-32.5	-172.3	-74.1	175.7	37.1	0	0	113.1	K122 D158	K122-M160 WeakPolarHBondContact CB-O 3.34Å; K122-M160 PolarHBondContact N-O 3.43Å; D158-M160 VanDerWaalsContact C-N 3.28Å; D158-M160 PolarHBondContact O-N 3.01Å; D158-M160 WeakPolarHBondContact OD1-CA 3.33Å; D158-M160 PolarHBondContact OD1-N 2.97Å
161	N	87.3	Confident	89.4	Confident	6 Å²	6	27.4 Å²	27.4	3%	0.032	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.5	-164	-62.2	-40.1	0	0	0	112.2	I119 L120 Q157 D158 Y163	I119-N161 HydrophobicContact CG2-CB 4.03Å; L120-N161 CarbonylContact O-C 3.54Å; L120-N161 VanDerWaalsContact O-CA 3.27Å; L120-N161 WeakPolarHBondContact O-CA 3.22Å; Q157-N161 WeakPolarHBondContact CA-O 3.42Å; D158-N161 PolarHBondContact N-O 3.11Å; D158-N161 PolarHBondContact OD1-N 3.13Å; N161-Y163 HydrophobicContact CB-CE1 4.21Å; N161-Y163 HydrophobicContact CB-CE2 3.75Å; N161-Y163 PolarHBondContact ND2-OH 2.88Å
162	L	88.3	Confident	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.1	165	-56.7	176.9	0	0	0	108.6	I119 L120 K122 I134 Q157 F448 Y451	I119-L162 WeakPolarHBondContact CA-O 3.43Å; L120-L162 HydrophobicContact CB-CB 4.28Å; L120-L162 PolarHBondContact N-O 2.74Å; L120-L162 PolarHBondContact O-N 2.81Å; K122-L162 HydrophobicContact CD-CD2 4.31Å; K122-L162 VanDerWaalsContact CE-CD2 3.4Å; K122-L162 HydrophobicContact CG-CD2 4Å; K122-L162 HydrophobicContact CG-CG 3.85Å; I134-L162 HydrophobicContact CD1-CD1 3.64Å; I134-L162 HydrophobicContact CG2-CD1 4.02Å; Q157-L162 HydrophobicContact CB-CD2 3.64Å; L162-F448 HydrophobicContact CD1-CD1 3.71Å; L162-F448 HydrophobicContact CD1-CE1 3.64Å; L162-F448 HydrophobicContact CD1-CZ 4.42Å; L162-F448 HydrophobicContact CD2-CB 4.26Å; L162-F448 HydrophobicContact CD2-CD1 3.99Å; L162-F448 HydrophobicContact CD2-CG 4.07Å; L162-F448 HydrophobicContact CG-CD1 4.42Å; L162-Y451 HydrophobicContact CB-CE1 3.9Å; L162-Y451 HydrophobicContact CB-CE2 4.14Å; L162-Y451 HydrophobicContact CD1-CD2 4.29Å; L162-Y451 HydrophobicContact CD1-CE2 3.99Å; L162-Y451 HydrophobicContact CD2-CD1 3.94Å; L162-Y451 HydrophobicContact CD2-CD2 4.17Å; L162-Y451 HydrophobicContact CD2-CE1 4.1Å; L162-Y451 HydrophobicContact CD2-CE2 4.31Å; L162-Y451 HydrophobicContact CD2-CG 3.98Å; L162-Y451 HydrophobicContact CG-CE2 4.39Å
163	Y	90	Very high	89.8	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.4	-177.1	-56.8	-88.3	0	0	0	109.8	L86 M117 K118 I119 S155 F156 D158 N161 L419 Y451	L86-Y163 HydrophobicContact CD1-CD1 4.43Å; L86-Y163 HydrophobicContact CD1-CE1 3.9Å; M117-Y163 HydrophobicContact CE-CD1 4.45Å; M117-Y163 HydrophobicContact CG-CD1 4.32Å; M117-Y163 HydrophobicContact SD-CD1 3.94Å; K118-Y163 WeakPolarHBondContact O-CA 3.38Å; I119-Y163 HydrophobicContact CG1-CD1 3.99Å; I119-Y163 HydrophobicContact CG1-CE1 4.07Å; I119-Y163 HydrophobicContact CG2-CD1 4.26Å; I119-Y163 HydrophobicContact CG2-CE1 3.87Å; S155-Y163 WeakPolarHBondContact CA-O 3.31Å; S155-Y163 WeakPolarHBondContact CB-O 3.4Å; F156-Y163 AromaticContact CD2-CD2 3.47Å; F156-Y163 HydrophobicContact CD2-CD2 3.47Å; F156-Y163 VanDerWaalsContact CD2-CD2 3.47Å; F156-Y163 HydrophobicContact CD2-CE2 4.26Å; F156-Y163 AromaticContact CD2-CG 3.87Å; F156-Y163 HydrophobicContact CD2-CG 3.87Å; F156-Y163 HydrophobicContact CE2-CD1 4.11Å; F156-Y163 AromaticContact CE2-CD2 3.33Å; F156-Y163 HydrophobicContact CE2-CD2 3.33Å; F156-Y163 AromaticContact CE2-CE2 3.97Å; F156-Y163 HydrophobicContact CE2-CE2 3.97Å; F156-Y163 AromaticContact CE2-CG 3.41Å; F156-Y163 HydrophobicContact CE2-CG 3.41Å; F156-Y163 VanDerWaalsContact CE2-CG 3.41Å; F156-Y163 HydrophobicContact CG-CD2 4.45Å; F156-Y163 HydrophobicContact CZ-CD1 4.36Å; F156-Y163 HydrophobicContact CZ-CD2 4.24Å; F156-Y163 AromaticContact CZ-CG 3.86Å; F156-Y163 HydrophobicContact CZ-CG 3.86Å; F156-Y163 PolarHBondContact N-O 2.85Å; F156-Y163 VanDerWaalsContact N-O 3.11Å; F156-Y163 WeakPolarHBondContact O-CB 3.06Å; F156-Y163 WeakPolarHBondContact O-CD2 3.25Å; F156-Y163 PolarHBondContact O-N 2.92Å; D158-Y163 HydrophobicContact CB-CE2 4.18Å; D158-Y163 VanDerWaalsContact OD2-CE2 3.29Å; D158-Y163 WeakPolarHBondContact OD2-CE2 3.46Å; D158-Y163 VanDerWaalsContact OD2-CZ 3.3Å; D158-Y163 PolarHBondContact OD2-OH 3.11Å; N161-Y163 HydrophobicContact CB-CE1 4.21Å; N161-Y163 HydrophobicContact CB-CE2 3.75Å; N161-Y163 PolarHBondContact ND2-OH 2.88Å; Y163-L419 HydrophobicContact CE1-CD2 4.11Å; Y163-Y451 WeakPolarHBondContact O-CE1 3.22Å; Y163-Y451 PolarHBondContact O-OH 3.27Å; Y163-Y451 VanDerWaalsContact O-OH 3.1Å
164	L	90.1	Very high	90.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.8	168.3	-59.2	88.8	0	0	0	108.5	M117 K118 L120 L141 M152 Y451	M117-L164 CarbonylContact C-O 3.57Å; M117-L164 WeakPolarHBondContact CA-O 3.47Å; K118-L164 HydrophobicContact CB-CB 4.31Å; K118-L164 HydrophobicContact CB-CD1 4.39Å; K118-L164 PolarHBondContact N-O 3.5Å; K118-L164 PolarHBondContact O-N 3.5Å; L120-L164 HydrophobicContact CD1-CD1 3.79Å; L120-L164 HydrophobicContact CG-CD1 4.45Å; L141-L164 HydrophobicContact CD1-CD2 4.15Å; M152-L164 HydrophobicContact SD-CD2 4.22Å; L164-Y451 WeakPolarHBondContact CD1-OH 3.22Å; L164-Y451 WeakPolarHBondContact CG-OH 3.3Å
165	L	91.6	Very high	90.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.7	177.3	-79.2	-69.7	0	0	0	108	F89 V106 Y115 M117 F153 Y154 F156	F89-L165 HydrophobicContact CD1-CD1 4.12Å; F89-L165 HydrophobicContact CE1-CD1 3.83Å; F89-L165 HydrophobicContact CE1-CG 4.11Å; F89-L165 HydrophobicContact CZ-CD1 4.23Å; F89-L165 HydrophobicContact CZ-CG 4.03Å; V106-L165 HydrophobicContact CG2-CD1 3.66Å; Y115-L165 HydrophobicContact CG-CD1 4.36Å; M117-L165 HydrophobicContact CB-CD1 3.81Å; M117-L165 HydrophobicContact CG-CD1 4.03Å; M117-L165 HydrophobicContact CG-CD2 3.92Å; M117-L165 HydrophobicContact SD-CD1 4.31Å; M117-L165 HydrophobicContact SD-CD2 4.2Å; F153-L165 PolarHBondContact N-O 3.45Å; Y154-L165 HydrophobicContact CD2-CB 3.83Å; Y154-L165 HydrophobicContact CD2-CG 4.21Å; Y154-L165 HydrophobicContact CG-CB 4.4Å; Y154-L165 PolarHBondContact N-O 3.14Å; Y154-L165 PolarHBondContact O-N 3.33Å; F156-L165 HydrophobicContact CD1-CD2 4.14Å; F156-L165 HydrophobicContact CE1-CD2 3.37Å; F156-L165 HydrophobicContact CE1-CG 4.28Å; F156-L165 HydrophobicContact CZ-CD2 4.01Å
166	M	91.4	Very high	90.4	Very high	20 Å²	20	26.1 Å²	26.1	10%	0.099	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	162.2	-174.9	-61.8	174.4	-64.7	0	0	110.3	Y115 A116 K118 L141 V150 K151 M152 F168	Y115-M166 WeakPolarHBondContact CA-O 3.26Å; A116-M166 PolarHBondContact N-O 2.79Å; A116-M166 PolarHBondContact O-N 3.47Å; K118-M166 HydrophobicContact CB-CE 3.77Å; K118-M166 HydrophobicContact CD-CE 4.35Å; L141-M166 HydrophobicContact CD1-SD 4.37Å; V150-M166 HydrophobicContact CG1-CB 3.81Å; V150-M166 HydrophobicContact CG1-CG 4.27Å; V150-M166 HydrophobicContact CG1-SD 4.2Å; K151-M166 CarbonylContact O-C 3.52Å; K151-M166 WeakPolarHBondContact O-CA 3.38Å; M152-M166 HydrophobicContact CB-CG 4.46Å; M166-F168 PolarHBondContact O-N 2.82Å
167	E	91.1	Very high	90.6	Very high	45 Å²	45	27 Å²	27	21%	0.21	13%	0.132	C	C	.	.			trans	-57.2	138.5	166.6	65	-177.4	145.3	0	0	110.4	V150 K151 F153 L169 K227	V150-E167 HydrophobicContact CG1-CG 3.93Å; K151-E167 HydrophobicContact CB-CB 4.43Å; K151-E167 HydrophobicContact CB-CG 4.04Å; K151-E167 VanDerWaalsContact CB-OE1 3.27Å; K151-E167 WeakPolarHBondContact CB-OE1 3.35Å; K151-E167 PolarHBondContact N-OE1 3.49Å; K151-E167 PolarHBondContact O-N 3.26Å; F153-E167 HydrophobicContact CE2-CB 3.88Å; E167-L169 HydrophobicContact CG-CD2 3.91Å; E167-L169 HydrophobicContact CG-CG 4.31Å; E167-K227 IonicContact OE1-NZ 3.41Å; E167-K227 PolarHBondContact OE1-NZ 2.92Å; E167-K227 IonicContact OE2-NZ 3.99Å
168	F	93.8	Very high	90.8	Very high	23 Å²	23	24.9 Å²	24.9	10%	0.101	12%	0.123	C	C	.	.			trans	-83.6	125.8	172.5	173.3	-123.1	0	0	0	109.4	I95 L105 V114 M166 P170 I404 D406 T407 F410	I95-F168 HydrophobicContact CD1-CD2 3.99Å; I95-F168 HydrophobicContact CD1-CE2 3.93Å; L105-F168 HydrophobicContact CD1-CB 3.94Å; L105-F168 HydrophobicContact CD1-CD1 3.59Å; L105-F168 HydrophobicContact CD1-CD2 3.43Å; L105-F168 VanDerWaalsContact CD1-CD2 3.43Å; L105-F168 HydrophobicContact CD1-CE1 3.85Å; L105-F168 HydrophobicContact CD1-CE2 3.72Å; L105-F168 HydrophobicContact CD1-CG 3.35Å; L105-F168 HydrophobicContact CD1-CZ 3.92Å; L105-F168 HydrophobicContact CD2-CE1 4.45Å; L105-F168 HydrophobicContact CD2-CZ 4.44Å; V114-F168 HydrophobicContact CG1-CB 4.36Å; V114-F168 HydrophobicContact CG1-CD1 4.2Å; V114-F168 HydrophobicContact CG1-CG 4.48Å; M166-F168 PolarHBondContact O-N 2.82Å; F168-P170 HydrophobicContact CD1-CB 4.34Å; F168-P170 HydrophobicContact CE1-CB 3.7Å; F168-P170 HydrophobicContact CZ-CB 4.04Å; F168-P170 WeakPolarHBondContact O-CD 3.33Å; F168-I404 WeakPolarHBondContact CD1-O 3.4Å; F168-I404 WeakPolarHBondContact CE1-O 3.29Å; F168-D406 WeakPolarHBondContact CZ-O 3.45Å; F168-T407 HydrophobicContact CZ-CG2 4.24Å; F168-F410 HydrophobicContact CD2-CZ 4.45Å; F168-F410 HydrophobicContact CE2-CD2 4.38Å; F168-F410 AromaticContact CE2-CE2 3.46Å; F168-F410 HydrophobicContact CE2-CE2 3.46Å; F168-F410 VanDerWaalsContact CE2-CE2 3.46Å; F168-F410 AromaticContact CE2-CZ 3.59Å; F168-F410 HydrophobicContact CE2-CZ 3.59Å; F168-F410 HydrophobicContact CZ-CD2 4.46Å; F168-F410 AromaticContact CZ-CE2 3.68Å; F168-F410 HydrophobicContact CZ-CE2 3.68Å; F168-F410 HydrophobicContact CZ-CZ 4.26Å
169	L	94.6	Very high	90.9	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	12%	0.116	C	C	.	.			trans	-107.5	99.1	179.3	-62.1	-174.8	0	0	0	109.4	V150 E167 G171 G172 L219 L220 D221 K227 F410	V150-L169 HydrophobicContact CG2-CD1 3.69Å; E167-L169 HydrophobicContact CG-CD2 3.91Å; E167-L169 HydrophobicContact CG-CG 4.31Å; L169-G171 PolarHBondContact O-N 3.06Å; L169-G172 PolarHBondContact O-N 3.3Å; L169-L219 HydrophobicContact CD1-CB 3.64Å; L169-L219 HydrophobicContact CD1-CD1 3.99Å; L169-L219 HydrophobicContact CD1-CG 4.47Å; L169-L220 WeakPolarHBondContact CB-O 3.46Å; L169-D221 HydrophobicContact CD2-CB 4.02Å; L169-K227 HydrophobicContact CD1-CB 3.81Å; L169-K227 HydrophobicContact CD1-CD 3.75Å; L169-K227 HydrophobicContact CD1-CG 4.35Å; L169-K227 HydrophobicContact CD2-CD 3.86Å; L169-K227 HydrophobicContact CG-CD 4.49Å; L169-F410 VanDerWaalsContact O-CZ 3.28Å; L169-F410 WeakPolarHBondContact O-CZ 3.29Å
170	P	93.7	Very high	91.1	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.058	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.7	-168.3	33.1	-38.9	0	0	0	113.9	F168 G172 I401 N409	F168-P170 HydrophobicContact CD1-CB 4.34Å; F168-P170 HydrophobicContact CE1-CB 3.7Å; F168-P170 HydrophobicContact CZ-CB 4.04Å; F168-P170 WeakPolarHBondContact O-CD 3.33Å; P170-G172 PolarHBondContact O-N 2.86Å; P170-I401 HydrophobicContact CB-CD1 4.34Å; P170-I401 HydrophobicContact CB-CG2 4.01Å; P170-I401 HydrophobicContact CG-CD1 3.84Å; P170-I401 HydrophobicContact CG-CG2 4.49Å; P170-N409 WeakPolarHBondContact O-CB 3.4Å; P170-N409 PolarHBondContact O-ND2 2.94Å
171	G	93.6	Very high	91.5	Very high	9 Å²	9	21.1 Å²	21.1	9%	0.093	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.9	173.3	0	0	0	0	0	113.7	L169 L220	L169-G171 PolarHBondContact O-N 3.06Å; G171-L220 WeakPolarHBondContact CA-O 3.4Å; G171-L220 PolarHBondContact N-O 3.13Å; G171-L220 VanDerWaalsContact N-O 3.08Å
172	G	93.3	Very high	91.6	Very high	1 Å²	1	25 Å²	25	1%	0.01	12%	0.123	C	C	.	.			trans	75.4	-152.5	-177.5	0	0	0	0	0	112	L169 P170 L219 L220	L169-G172 PolarHBondContact O-N 3.3Å; P170-G172 PolarHBondContact O-N 2.86Å; G172-L219 WeakPolarHBondContact O-CA 3.44Å; G172-L220 PolarHBondContact O-N 3.06Å
173	D	92.4	Very high	91.9	Very high	24 Å²	24	27.9 Å²	27.9	13%	0.128	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-115.7	157.2	-178.6	65.4	86.9	0	0	0	112.4	M175 T176 L177 V218 L219	D173-M175 PolarHBondContact O-N 3.11Å; D173-M175 WeakPolarHBondContact OD1-CA 2.9Å; D173-M175 WeakPolarHBondContact OD1-CB 3.23Å; D173-M175 PolarHBondContact OD1-N 3.21Å; D173-T176 PolarHBondContact O-N 2.65Å; D173-T176 VanDerWaalsContact O-N 3.16Å; D173-T176 PolarHBondContact OD1-N 3.12Å; D173-T176 PolarHBondContact OD1-OG1 3.07Å; D173-T176 PolarHBondContact OD2-OG1 3.13Å; D173-L177 PolarHBondContact O-N 2.9Å; D173-L177 VanDerWaalsContact O-N 3.09Å; D173-V218 WeakPolarHBondContact CA-O 3.42Å; D173-L219 HydrophobicContact CB-CD2 3.55Å
174	M	94.6	Very high	92.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-29.9	-178.9	-177.6	60.1	67.7	0	0	112	L177 L178 L184 Y192 P215 V218 L220 M315	M174-L177 HydrophobicContact CE-CD2 4.2Å; M174-L177 PolarHBondContact O-N 3.44Å; M174-L177 HydrophobicContact SD-CB 4.39Å; M174-L177 HydrophobicContact SD-CD2 3.82Å; M174-L177 HydrophobicContact SD-CG 4.45Å; M174-L178 HydrophobicContact CG-CD1 4.16Å; M174-L178 HydrophobicContact CG-CG 4.4Å; M174-L178 WeakPolarHBondContact O-CB 3.44Å; M174-L178 VanDerWaalsContact O-CG 3.28Å; M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 2.87Å; M174-L178 HydrophobicContact SD-CG 4.31Å; M174-L184 HydrophobicContact SD-CD1 4.32Å; M174-Y192 HydrophobicContact CE-CD1 3.54Å; M174-Y192 HydrophobicContact CE-CD2 3.86Å; M174-Y192 HydrophobicContact CE-CE1 3.95Å; M174-Y192 HydrophobicContact CE-CE2 4.25Å; M174-Y192 HydrophobicContact CE-CG 3.5Å; M174-P215 HydrophobicContact CB-CB 4.13Å; M174-P215 WeakPolarHBondContact CB-O 3.27Å; M174-P215 HydrophobicContact CG-CB 4.13Å; M174-P215 PolarHBondContact N-O 3.18Å; M174-V218 HydrophobicContact CB-CB 3.9Å; M174-V218 HydrophobicContact CB-CG1 4.03Å; M174-V218 WeakPolarHBondContact CB-O 3.47Å; M174-V218 HydrophobicContact CE-CG1 4.5Å; M174-V218 PolarHBondContact N-O 3.16Å; M174-L220 HydrophobicContact CE-CD2 4.27Å; M174-M315 HydrophobicContact CE-CE 3.78Å; M174-M315 HydrophobicContact CG-CE 3.8Å; M174-M315 HydrophobicContact SD-CE 3.61Å
175	M	90.3	Very high	92.7	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.049	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-47.4	173.5	160.8	170.9	157.3	0	0	110.8	D173 L177 L178 M179 P215 D216 R275 R276 A279	D173-M175 PolarHBondContact O-N 3.11Å; D173-M175 WeakPolarHBondContact OD1-CA 2.9Å; D173-M175 WeakPolarHBondContact OD1-CB 3.23Å; D173-M175 PolarHBondContact OD1-N 3.21Å; M175-L177 VanDerWaalsContact C-N 3.31Å; M175-L177 PolarHBondContact O-N 3.47Å; M175-L178 PolarHBondContact O-N 2.92Å; M175-M179 HydrophobicContact CE-SD 4.28Å; M175-M179 WeakPolarHBondContact O-CG 3.45Å; M175-M179 PolarHBondContact O-N 3.26Å; M175-P215 HydrophobicContact CB-CB 3.87Å; M175-P215 PolarHBondContact N-O 3.42Å; M175-D216 HydrophobicContact CB-CB 4.29Å; M175-D216 HydrophobicContact SD-CB 4.28Å; M175-R275 HydrophobicContact CE-CB 4.42Å; M175-R275 HydrophobicContact CE-CG 3.61Å; M175-R275 HydrophobicContact CG-CG 4.28Å; M175-R275 HydrophobicContact SD-CG 3.81Å; M175-R276 HydrophobicContact CE-CG 4.44Å; M175-A279 HydrophobicContact CE-CB 3.87Å; M175-A279 HydrophobicContact SD-CB 4.1Å
176	T	90.5	Very high	93	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-38.8	177.9	-60.7	0	0	0	0	111.5	D173 M179 K180 N409	D173-T176 PolarHBondContact O-N 2.65Å; D173-T176 VanDerWaalsContact O-N 3.16Å; D173-T176 PolarHBondContact OD1-N 3.12Å; D173-T176 PolarHBondContact OD1-OG1 3.07Å; D173-T176 PolarHBondContact OD2-OG1 3.13Å; T176-M179 PolarHBondContact O-N 2.65Å; T176-K180 WeakPolarHBondContact O-CG 3.43Å; T176-K180 PolarHBondContact O-N 3.21Å; T176-K180 VanDerWaalsContact O-N 3.11Å; T176-N409 WeakPolarHBondContact CG2-O 3.45Å
177	L	93	Very high	93.2	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.126	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-47.1	173.4	179.8	60.2	0	0	0	112	D173 M174 M175 M179 K180 K181 Y192 L220 I397	D173-L177 PolarHBondContact O-N 2.9Å; D173-L177 VanDerWaalsContact O-N 3.09Å; M174-L177 HydrophobicContact CE-CD2 4.2Å; M174-L177 PolarHBondContact O-N 3.44Å; M174-L177 HydrophobicContact SD-CB 4.39Å; M174-L177 HydrophobicContact SD-CD2 3.82Å; M174-L177 HydrophobicContact SD-CG 4.45Å; M175-L177 VanDerWaalsContact C-N 3.31Å; M175-L177 PolarHBondContact O-N 3.47Å; L177-M179 VanDerWaalsContact C-N 3.33Å; L177-M179 PolarHBondContact O-N 3.3Å; L177-K180 PolarHBondContact O-N 2.87Å; L177-K180 VanDerWaalsContact O-N 3.09Å; L177-K181 HydrophobicContact CD1-CD 4.04Å; L177-K181 HydrophobicContact CD1-CG 4.12Å; L177-K181 PolarHBondContact O-N 3.2Å; L177-Y192 HydrophobicContact CD2-CE2 4.2Å; L177-L220 HydrophobicContact CD2-CD1 3.82Å; L177-I397 HydrophobicContact CD1-CD1 4.24Å; L177-I397 HydrophobicContact CD2-CD1 4.07Å
178	L	92	Very high	93.6	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-33.5	177.6	-71.1	172.4	0	0	0	112.8	M174 M175 K180 D182 L184 P215 E314 M315	M174-L178 HydrophobicContact CG-CD1 4.16Å; M174-L178 HydrophobicContact CG-CG 4.4Å; M174-L178 WeakPolarHBondContact O-CB 3.44Å; M174-L178 VanDerWaalsContact O-CG 3.28Å; M174-L178 WeakPolarHBondContact O-CG 3.48Å; M174-L178 PolarHBondContact O-N 2.87Å; M174-L178 HydrophobicContact SD-CG 4.31Å; M175-L178 PolarHBondContact O-N 2.92Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 3.22Å; L178-D182 WeakPolarHBondContact O-CA 3.43Å; L178-D182 PolarHBondContact O-N 3.33Å; L178-L184 HydrophobicContact CD2-CD1 4.15Å; L178-L184 HydrophobicContact CD2-CD2 4.4Å; L178-L184 HydrophobicContact CD2-CG 3.84Å; L178-P215 HydrophobicContact CD1-CB 4.19Å; L178-P215 HydrophobicContact CD1-CG 4.22Å; L178-E314 HydrophobicContact CD1-CG 4.23Å; L178-M315 HydrophobicContact CD1-CG 4.38Å; L178-M315 HydrophobicContact CD2-CB 4.44Å; L178-M315 HydrophobicContact CD2-CG 4.08Å
179	M	88.3	Confident	93.8	Very high	35 Å²	35	38.4 Å²	38.4	17%	0.172	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-32.8	171.6	-71.5	-159.3	-47.7	0	0	112.6	M175 T176 L177 R276	M175-M179 HydrophobicContact CE-SD 4.28Å; M175-M179 WeakPolarHBondContact O-CG 3.45Å; M175-M179 PolarHBondContact O-N 3.26Å; T176-M179 PolarHBondContact O-N 2.65Å; L177-M179 VanDerWaalsContact C-N 3.33Å; L177-M179 PolarHBondContact O-N 3.3Å; M179-R276 HydrophobicContact CE-CG 4.25Å; M179-R276 VanDerWaalsContact CE-NH2 3.27Å; M179-R276 HydrophobicContact SD-CG 3.81Å
180	K	89.4	Confident	94	Very high	121 Å²	121	39.9 Å²	39.9	53%	0.526	20%	0.203	S	C	.	.	H	α-helix	trans	-79.6	-39.2	179.4	-72.6	178.3	179.6	-177.1	0	112.7	T176 L177 L178 S408 N409	T176-K180 WeakPolarHBondContact O-CG 3.43Å; T176-K180 PolarHBondContact O-N 3.21Å; T176-K180 VanDerWaalsContact O-N 3.11Å; L177-K180 PolarHBondContact O-N 2.87Å; L177-K180 VanDerWaalsContact O-N 3.09Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 3.22Å; K180-S408 PolarHBondContact NZ-O 3.02Å; K180-N409 PolarHBondContact NZ-OD1 3.41Å
181	K	91.8	Very high	94.2	Very high	85 Å²	85	40.6 Å²	40.6	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-97.4	-9.5	-174.4	-65.8	-159.4	73.8	164.8	0	115.2	L177 T183 L184 E188 I397	L177-K181 HydrophobicContact CD1-CD 4.04Å; L177-K181 HydrophobicContact CD1-CG 4.12Å; L177-K181 PolarHBondContact O-N 3.2Å; K181-T183 PolarHBondContact O-N 3Å; K181-L184 HydrophobicContact CB-CD2 4.18Å; K181-L184 HydrophobicContact CD-CD2 3.96Å; K181-E188 IonicContact NZ-OE1 2.79Å; K181-E188 PolarHBondContact NZ-OE1 2.74Å; K181-E188 IonicContact NZ-OE2 2.94Å; K181-I397 HydrophobicContact CD-CD1 3.69Å
182	D	90	Very high	94.4	Very high	87 Å²	87	40.2 Å²	40.2	47%	0.465	20%	0.201	S	C	.	.	S	Bend	trans	66.8	-52.5	-172.8	-63.3	-34.1	0	0	0	115.3	L178 K272	L178-D182 WeakPolarHBondContact O-CA 3.43Å; L178-D182 PolarHBondContact O-N 3.33Å; D182-K272 VanDerWaalsContact OD1-CE 3.31Å; D182-K272 WeakPolarHBondContact OD1-CE 3.4Å; D182-K272 IonicContact OD1-NZ 3.36Å; D182-K272 PolarHBondContact OD1-NZ 2.86Å; D182-K272 IonicContact OD2-NZ 2.73Å
183	T	95.3	Very high	94.7	Very high	62 Å²	62	40.2 Å²	40.2	38%	0.38	20%	0.2	S	C	.	.	S	Bend	trans	-145.7	158.3	177	52.4	0	0	0	0	109.1	K181 M315	K181-T183 PolarHBondContact O-N 3Å; T183-M315 CarbonylContact C-O 3.55Å; T183-M315 WeakPolarHBondContact CA-O 3.28Å
184	L	97.6	Very high	95	Very high	8 Å²	8	39 Å²	39	4%	0.042	19%	0.194	C	C	.	.			trans	-104.7	153.9	173.1	-58.2	-174.4	0	0	0	110.4	M174 L178 K181 E188 Y192 M315 I397	M174-L184 HydrophobicContact SD-CD1 4.32Å; L178-L184 HydrophobicContact CD2-CD1 4.15Å; L178-L184 HydrophobicContact CD2-CD2 4.4Å; L178-L184 HydrophobicContact CD2-CG 3.84Å; K181-L184 HydrophobicContact CB-CD2 4.18Å; K181-L184 HydrophobicContact CD-CD2 3.96Å; L184-E188 WeakPolarHBondContact CA-OE2 3.32Å; L184-E188 HydrophobicContact CB-CB 4.03Å; L184-Y192 HydrophobicContact CD1-CD2 3.82Å; L184-Y192 HydrophobicContact CD1-CE2 4.19Å; L184-M315 HydrophobicContact CB-CB 4.41Å; L184-M315 HydrophobicContact CD1-CB 4.27Å; L184-M315 HydrophobicContact CD1-CE 4.39Å; L184-M315 HydrophobicContact CD1-CG 3.95Å; L184-M315 HydrophobicContact CD1-SD 4.26Å; L184-M315 HydrophobicContact CG-CB 4.44Å; L184-M315 PolarHBondContact N-O 2.98Å; L184-I397 HydrophobicContact CD2-CD1 4Å
185	S	98	Very high	95.1	Very high	54 Å²	54	39 Å²	39	38%	0.378	19%	0.194	S	C	.	.			trans	-66.9	163.9	169	78.5	0	0	0	0	110.8	E187 E188 T189	S185-E187 PolarHBondContact O-N 3.2Å; S185-E187 PolarHBondContact OG-N 3.22Å; S185-E188 PolarHBondContact N-OE2 3.46Å; S185-E188 PolarHBondContact O-N 3.24Å; S185-E188 WeakPolarHBondContact OG-CG 3.27Å; S185-E188 PolarHBondContact OG-N 2.98Å; S185-E188 VanDerWaalsContact OG-N 3.1Å; S185-T189 VanDerWaalsContact O-CB 3.28Å; S185-T189 WeakPolarHBondContact O-CB 3.4Å; S185-T189 PolarHBondContact O-N 3.49Å; S185-T189 PolarHBondContact O-OG1 2.9Å
186	E	97.8	Very high	95.5	Very high	64 Å²	64	38.7 Å²	38.7	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-63.2	-32.3	174.7	-72.5	-168.5	-158.1	0	0	112.6	Q190 L316 S350 F381	E186-Q190 VanDerWaalsContact O-CB 3.23Å; E186-Q190 WeakPolarHBondContact O-CB 3.09Å; E186-Q190 PolarHBondContact O-N 3.46Å; E186-L316 HydrophobicContact CG-CD2 3.77Å; E186-S350 VanDerWaalsContact CD-OG 3.25Å; E186-S350 WeakPolarHBondContact OE1-CB 3.17Å; E186-S350 PolarHBondContact OE1-N 3.13Å; E186-S350 PolarHBondContact OE1-OG 2.91Å; E186-S350 WeakPolarHBondContact OE2-CB 3.36Å; E186-S350 PolarHBondContact OE2-OG 2.94Å; E186-F381 HydrophobicContact CB-CE2 4.46Å
187	E	97.1	Very high	95.9	Very high	154 Å²	154	38.2 Å²	38.2	72%	0.72	19%	0.19	S	C	*	.	H	α-helix	trans	-68.4	-46.9	176.1	-175.4	-178.6	177.5	0	0	111.5	S185 T189 Q190 F191	S185-E187 PolarHBondContact O-N 3.2Å; S185-E187 PolarHBondContact OG-N 3.22Å; E187-T189 VanDerWaalsContact C-N 3.31Å; E187-T189 PolarHBondContact O-N 3.29Å; E187-Q190 PolarHBondContact O-N 3.02Å; E187-F191 PolarHBondContact O-N 3.06Å; E187-F191 VanDerWaalsContact O-N 3.07Å
188	E	98.1	Very high	96.1	Very high	31 Å²	31	38 Å²	38	15%	0.145	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-43.1	174.5	-69.6	171	150.9	0	0	110.7	K181 L184 S185 F191 Y192 A396 I397	K181-E188 IonicContact NZ-OE1 2.79Å; K181-E188 PolarHBondContact NZ-OE1 2.74Å; K181-E188 IonicContact NZ-OE2 2.94Å; L184-E188 WeakPolarHBondContact CA-OE2 3.32Å; L184-E188 HydrophobicContact CB-CB 4.03Å; S185-E188 PolarHBondContact N-OE2 3.46Å; S185-E188 PolarHBondContact O-N 3.24Å; S185-E188 WeakPolarHBondContact OG-CG 3.27Å; S185-E188 PolarHBondContact OG-N 2.98Å; S185-E188 VanDerWaalsContact OG-N 3.1Å; E188-F191 PolarHBondContact O-N 2.78Å; E188-Y192 WeakPolarHBondContact O-CD2 3.18Å; E188-Y192 PolarHBondContact O-N 3.36Å; E188-A396 HydrophobicContact CB-CB 4.44Å; E188-A396 HydrophobicContact CG-CB 4.26Å; E188-I397 HydrophobicContact CG-CD1 4.25Å; E188-I397 HydrophobicContact CG-CG1 4.08Å; E188-I397 WeakPolarHBondContact OE1-CD1 2.87Å; E188-I397 WeakPolarHBondContact OE1-CG1 3.39Å
189	T	98.4	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-43.9	176.7	-58.9	0	0	0	0	111.3	S185 E187 F191 Y192 V193 M312 M315 L316 F381	S185-T189 VanDerWaalsContact O-CB 3.28Å; S185-T189 WeakPolarHBondContact O-CB 3.4Å; S185-T189 PolarHBondContact O-N 3.49Å; S185-T189 PolarHBondContact O-OG1 2.9Å; E187-T189 VanDerWaalsContact C-N 3.31Å; E187-T189 PolarHBondContact O-N 3.29Å; T189-F191 VanDerWaalsContact C-N 3.29Å; T189-F191 PolarHBondContact O-N 3.41Å; T189-Y192 PolarHBondContact O-N 2.76Å; T189-V193 HydrophobicContact CG2-CG2 3.78Å; T189-V193 VanDerWaalsContact O-CB 3.23Å; T189-V193 WeakPolarHBondContact O-CB 3.41Å; T189-V193 WeakPolarHBondContact O-CG2 3.47Å; T189-V193 PolarHBondContact O-N 2.56Å; T189-M312 HydrophobicContact CG2-CG 3.94Å; T189-M315 HydrophobicContact CG2-CB 4.09Å; T189-M315 HydrophobicContact CG2-SD 3.99Å; T189-L316 HydrophobicContact CG2-CD1 4.29Å; T189-L316 HydrophobicContact CG2-CD2 4.07Å; T189-L316 HydrophobicContact CG2-CG 4.01Å; T189-L316 WeakPolarHBondContact OG1-CD2 3.46Å; T189-F381 HydrophobicContact CG2-CZ 4.29Å
190	Q	98.5	Very high	96.5	Very high	42 Å²	42	36 Å²	36	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-46.4	177.1	-173.2	-165	64.2	0	0	110.7	E186 E187 A194 F381 F382 E383 V385	E186-Q190 VanDerWaalsContact O-CB 3.23Å; E186-Q190 WeakPolarHBondContact O-CB 3.09Å; E186-Q190 PolarHBondContact O-N 3.46Å; E187-Q190 PolarHBondContact O-N 3.02Å; Q190-A194 WeakPolarHBondContact O-CB 3.28Å; Q190-A194 PolarHBondContact O-N 2.73Å; Q190-F381 HydrophobicContact CB-CE1 3.93Å; Q190-F381 HydrophobicContact CB-CZ 4.03Å; Q190-F381 HydrophobicContact CG-CD1 4.5Å; Q190-F381 HydrophobicContact CG-CE1 4.21Å; Q190-F381 PolarHBondContact NE2-O 3.26Å; Q190-F382 HydrophobicContact CG-CD1 4.07Å; Q190-E383 PolarHBondContact NE2-O 3.36Å; Q190-V385 HydrophobicContact CG-CG2 3.72Å
191	F	98.4	Very high	96.8	Very high	24 Å²	24	31 Å²	31	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-55.9	177	178.2	-93.4	0	0	0	112.2	E187 E188 T189 V193 A194 E195 H225 I390 A395 A396	E187-F191 PolarHBondContact O-N 3.06Å; E187-F191 VanDerWaalsContact O-N 3.07Å; E188-F191 PolarHBondContact O-N 2.78Å; T189-F191 VanDerWaalsContact C-N 3.29Å; T189-F191 PolarHBondContact O-N 3.41Å; F191-V193 PolarHBondContact O-N 3.46Å; F191-A194 PolarHBondContact O-N 2.94Å; F191-E195 HydrophobicContact CE1-CG 4.29Å; F191-E195 HydrophobicContact CE2-CG 4.45Å; F191-E195 HydrophobicContact CZ-CG 4.13Å; F191-E195 WeakPolarHBondContact CZ-OE1 3.25Å; F191-E195 PolarHBondContact O-N 3.25Å; F191-H225 AromaticContact CZ-CE1 3.86Å; F191-H225 AromaticContact CZ-ND1 3.59Å; F191-I390 HydrophobicContact CD2-CD1 4.15Å; F191-I390 HydrophobicContact CD2-CG1 4.05Å; F191-I390 HydrophobicContact CE2-CD1 4.27Å; F191-I390 HydrophobicContact CE2-CG1 3.75Å; F191-A395 HydrophobicContact CE1-CB 3.83Å; F191-A395 VanDerWaalsContact CZ-CA 3.48Å; F191-A395 HydrophobicContact CZ-CB 3.74Å; F191-A396 HydrophobicContact CB-CB 3.73Å; F191-A396 HydrophobicContact CD1-CB 3.71Å; F191-A396 HydrophobicContact CD2-CB 4.45Å; F191-A396 HydrophobicContact CE1-CB 4.49Å; F191-A396 HydrophobicContact CG-CB 3.7Å
192	Y	98.4	Very high	96.8	Very high	1 Å²	1	28 Å²	28	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-37.2	-175.8	-71.2	-57.8	0	0	0	113.3	M174 L177 L184 E188 T189 T196 L220 V226 I397	M174-Y192 HydrophobicContact CE-CD1 3.54Å; M174-Y192 HydrophobicContact CE-CD2 3.86Å; M174-Y192 HydrophobicContact CE-CE1 3.95Å; M174-Y192 HydrophobicContact CE-CE2 4.25Å; M174-Y192 HydrophobicContact CE-CG 3.5Å; L177-Y192 HydrophobicContact CD2-CE2 4.2Å; L184-Y192 HydrophobicContact CD1-CD2 3.82Å; L184-Y192 HydrophobicContact CD1-CE2 4.19Å; E188-Y192 WeakPolarHBondContact O-CD2 3.18Å; E188-Y192 PolarHBondContact O-N 3.36Å; T189-Y192 PolarHBondContact O-N 2.76Å; Y192-T196 VanDerWaalsContact O-CB 3.3Å; Y192-T196 WeakPolarHBondContact O-CB 3.41Å; Y192-T196 PolarHBondContact O-N 2.73Å; Y192-T196 PolarHBondContact O-OG1 2.79Å; Y192-L220 HydrophobicContact CD1-CD2 4.32Å; Y192-L220 HydrophobicContact CE1-CD2 3.75Å; Y192-V226 HydrophobicContact CD1-CG2 3.82Å; Y192-I397 HydrophobicContact CE2-CD1 3.94Å; Y192-I397 HydrophobicContact CE2-CG1 4.28Å; Y192-I397 WeakPolarHBondContact OH-CB 3.15Å
193	V	98.4	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.6	-44.5	175.2	175.7	0	0	0	0	109.6	T189 F191 E195 T196 V197 L308 M312 M315 F382	T189-V193 HydrophobicContact CG2-CG2 3.78Å; T189-V193 VanDerWaalsContact O-CB 3.23Å; T189-V193 WeakPolarHBondContact O-CB 3.41Å; T189-V193 WeakPolarHBondContact O-CG2 3.47Å; T189-V193 PolarHBondContact O-N 2.56Å; F191-V193 PolarHBondContact O-N 3.46Å; V193-E195 PolarHBondContact O-N 3.3Å; V193-T196 PolarHBondContact O-N 3.08Å; V193-V197 HydrophobicContact CG1-CG2 4.48Å; V193-V197 WeakPolarHBondContact O-CG2 3.06Å; V193-V197 PolarHBondContact O-N 3.14Å; V193-L308 HydrophobicContact CG1-CD1 4.26Å; V193-L308 HydrophobicContact CG1-CD2 4.17Å; V193-L308 HydrophobicContact CG1-CG 4.24Å; V193-M312 HydrophobicContact CG1-SD 4.5Å; V193-M312 HydrophobicContact CG2-CB 3.97Å; V193-M312 HydrophobicContact CG2-CG 4.04Å; V193-M312 HydrophobicContact CG2-SD 4.49Å; V193-M315 HydrophobicContact CG2-SD 4.04Å; V193-F382 HydrophobicContact CB-CE1 4.26Å; V193-F382 HydrophobicContact CG1-CE1 3.87Å; V193-F382 HydrophobicContact CG1-CZ 3.72Å
194	A	98.4	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-44.9	177.7	0	0	0	0	0	112.6	Q190 F191 T196 V197 L198 F382 V385 Y387 I390	Q190-A194 WeakPolarHBondContact O-CB 3.28Å; Q190-A194 PolarHBondContact O-N 2.73Å; F191-A194 PolarHBondContact O-N 2.94Å; A194-T196 VanDerWaalsContact C-N 3.33Å; A194-T196 PolarHBondContact O-N 3.41Å; A194-V197 WeakPolarHBondContact O-CB 3.45Å; A194-V197 PolarHBondContact O-N 3.35Å; A194-L198 PolarHBondContact O-N 3.38Å; A194-F382 HydrophobicContact CB-CD1 4.04Å; A194-F382 HydrophobicContact CB-CE1 4.07Å; A194-V385 HydrophobicContact CB-CG1 3.92Å; A194-V385 HydrophobicContact CB-CG2 4.46Å; A194-Y387 HydrophobicContact CB-CE1 4.1Å; A194-I390 HydrophobicContact CB-CD1 3.82Å
195	E	98.1	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-40.1	174.7	-74.8	-151	144.9	0	0	112.4	W148 F191 V193 V197 L198 A199 H225 V226 I390	W148-E195 HydrophobicContact CH2-CB 4.35Å; W148-E195 HydrophobicContact CH2-CG 4.21Å; W148-E195 HydrophobicContact CZ3-CB 3.8Å; W148-E195 HydrophobicContact CZ3-CG 4.02Å; F191-E195 HydrophobicContact CE1-CG 4.29Å; F191-E195 HydrophobicContact CE2-CG 4.45Å; F191-E195 HydrophobicContact CZ-CG 4.13Å; F191-E195 WeakPolarHBondContact CZ-OE1 3.25Å; F191-E195 PolarHBondContact O-N 3.25Å; V193-E195 PolarHBondContact O-N 3.3Å; E195-V197 VanDerWaalsContact C-N 3.3Å; E195-V197 PolarHBondContact O-N 3.04Å; E195-L198 PolarHBondContact O-N 3.02Å; E195-A199 WeakPolarHBondContact O-CB 3.37Å; E195-A199 PolarHBondContact O-N 2.99Å; E195-H225 IonicContact OE1-CE1 3.43Å; E195-H225 IonicContact OE1-CG 2.73Å; E195-H225 IonicContact OE1-ND1 3.25Å; E195-H225 PolarHBondContact OE1-ND1 2.79Å; E195-H225 WeakPolarHBondContact OE2-CA 3.36Å; E195-H225 IonicContact OE2-ND1 3.37Å; E195-V226 HydrophobicContact CB-CB 4.01Å; E195-V226 HydrophobicContact CB-CG2 3.99Å; E195-V226 PolarHBondContact OE2-N 3.38Å; E195-I390 HydrophobicContact CG-CD1 3.67Å; E195-I390 HydrophobicContact CG-CG1 4Å; E195-I390 HydrophobicContact CG-CG2 4.49Å
196	T	98.1	Very high	95.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-32.8	177.4	-53.4	0	0	0	0	111.4	Y192 V193 A194 A199 I200 L308	Y192-T196 VanDerWaalsContact O-CB 3.3Å; Y192-T196 WeakPolarHBondContact O-CB 3.41Å; Y192-T196 PolarHBondContact O-N 2.73Å; Y192-T196 PolarHBondContact O-OG1 2.79Å; V193-T196 PolarHBondContact O-N 3.08Å; A194-T196 VanDerWaalsContact C-N 3.33Å; A194-T196 PolarHBondContact O-N 3.41Å; T196-A199 PolarHBondContact O-N 2.69Å; T196-I200 HydrophobicContact CG2-CD1 3.86Å; T196-I200 HydrophobicContact CG2-CG1 4.23Å; T196-I200 WeakPolarHBondContact O-CB 3.41Å; T196-I200 WeakPolarHBondContact O-CG1 3.45Å; T196-I200 PolarHBondContact O-N 2.88Å; T196-L308 HydrophobicContact CG2-CD1 3.65Å
197	V	98.2	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-48.8	170.8	170.2	0	0	0	0	110.8	V193 A194 E195 A199 I200 D201 W305 L308 V373 I376 F382	V193-V197 HydrophobicContact CG1-CG2 4.48Å; V193-V197 WeakPolarHBondContact O-CG2 3.06Å; V193-V197 PolarHBondContact O-N 3.14Å; A194-V197 WeakPolarHBondContact O-CB 3.45Å; A194-V197 PolarHBondContact O-N 3.35Å; E195-V197 VanDerWaalsContact C-N 3.3Å; E195-V197 PolarHBondContact O-N 3.04Å; V197-A199 VanDerWaalsContact C-N 3.29Å; V197-A199 PolarHBondContact O-N 3.27Å; V197-I200 PolarHBondContact O-N 2.78Å; V197-D201 WeakPolarHBondContact O-CB 3.31Å; V197-D201 PolarHBondContact O-N 3.29Å; V197-W305 HydrophobicContact CB-CZ3 4.4Å; V197-W305 HydrophobicContact CG1-CH2 4.23Å; V197-W305 HydrophobicContact CG1-CZ3 4.34Å; V197-W305 HydrophobicContact CG2-CZ3 4.28Å; V197-L308 HydrophobicContact CG2-CD2 3.54Å; V197-V373 HydrophobicContact CG1-CG2 3.48Å; V197-V373 VanDerWaalsContact CG1-CG2 3.48Å; V197-I376 HydrophobicContact CG1-CB 4.4Å; V197-I376 HydrophobicContact CG1-CG2 4.04Å; V197-I376 HydrophobicContact CG2-CG2 3.71Å; V197-F382 HydrophobicContact CG2-CZ 4.45Å
198	L	97.1	Very high	93.5	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.105	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-37.7	177.6	-64.2	178.5	0	0	0	111.9	W148 A194 E195 S202 Y387 I390	W148-L198 HydrophobicContact CD2-CB 4.2Å; W148-L198 HydrophobicContact CH2-CB 3.99Å; W148-L198 HydrophobicContact CH2-CD1 3.73Å; W148-L198 HydrophobicContact CZ2-CB 3.6Å; W148-L198 HydrophobicContact CZ2-CD1 3.5Å; W148-L198 VanDerWaalsContact CZ2-CD1 3.5Å; W148-L198 HydrophobicContact CZ2-CG 4.2Å; W148-L198 HydrophobicContact CZ3-CB 4.42Å; A194-L198 PolarHBondContact O-N 3.38Å; E195-L198 PolarHBondContact O-N 3.02Å; L198-S202 WeakPolarHBondContact O-CB 3.23Å; L198-S202 PolarHBondContact O-N 3.04Å; L198-Y387 HydrophobicContact CD1-CD1 4.19Å; L198-Y387 HydrophobicContact CD2-CD1 3.97Å; L198-Y387 HydrophobicContact CG-CD1 4.17Å; L198-I390 HydrophobicContact CD1-CG2 3.65Å
199	A	95.6	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.6	-46.4	178.6	0	0	0	0	0	113.2	W148 E195 T196 V197 S202 I203 L228	W148-A199 HydrophobicContact CB-CB 3.67Å; W148-A199 HydrophobicContact CD2-CB 4.19Å; W148-A199 HydrophobicContact CE3-CB 3.97Å; W148-A199 HydrophobicContact CG-CB 4.09Å; E195-A199 WeakPolarHBondContact O-CB 3.37Å; E195-A199 PolarHBondContact O-N 2.99Å; T196-A199 PolarHBondContact O-N 2.69Å; V197-A199 VanDerWaalsContact C-N 3.29Å; V197-A199 PolarHBondContact O-N 3.27Å; A199-S202 PolarHBondContact O-N 2.92Å; A199-I203 PolarHBondContact O-N 3.34Å; A199-L228 HydrophobicContact CB-CD1 3.65Å; A199-L228 HydrophobicContact CB-CG 3.77Å
200	I	94.5	Very high	92.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-42.1	177.4	-67.6	171.1	0	0	0	110.4	T196 V197 S202 I203 H204 I213 L228 D304 W305 L308	T196-I200 HydrophobicContact CG2-CD1 3.86Å; T196-I200 HydrophobicContact CG2-CG1 4.23Å; T196-I200 WeakPolarHBondContact O-CB 3.41Å; T196-I200 WeakPolarHBondContact O-CG1 3.45Å; T196-I200 PolarHBondContact O-N 2.88Å; V197-I200 PolarHBondContact O-N 2.78Å; I200-S202 VanDerWaalsContact C-N 3.33Å; I200-S202 PolarHBondContact O-N 3.43Å; I200-I203 WeakPolarHBondContact O-CG1 3.26Å; I200-I203 PolarHBondContact O-N 2.87Å; I200-H204 WeakPolarHBondContact CG2-CE1 3.34Å; I200-H204 WeakPolarHBondContact CG2-NE2 3.08Å; I200-H204 PolarHBondContact O-CD2 3.44Å; I200-H204 PolarHBondContact O-N 2.97Å; I200-I213 HydrophobicContact CD1-CD1 4.13Å; I200-I213 HydrophobicContact CD1-CG1 4.13Å; I200-I213 HydrophobicContact CD1-CG2 4.18Å; I200-I213 HydrophobicContact CG1-CD1 3.98Å; I200-I213 HydrophobicContact CG1-CG1 4.4Å; I200-L228 HydrophobicContact CG1-CD1 4.2Å; I200-D304 HydrophobicContact CG2-CB 3.87Å; I200-W305 HydrophobicContact CB-CE3 4.41Å; I200-W305 HydrophobicContact CB-CH2 3.6Å; I200-W305 HydrophobicContact CB-CZ2 4.5Å; I200-W305 HydrophobicContact CB-CZ3 3.55Å; I200-W305 HydrophobicContact CD1-CE3 4.17Å; I200-W305 HydrophobicContact CD1-CZ3 3.89Å; I200-W305 HydrophobicContact CG1-CZ3 4.31Å; I200-W305 HydrophobicContact CG2-CD2 4.37Å; I200-W305 HydrophobicContact CG2-CE3 3.98Å; I200-W305 HydrophobicContact CG2-CH2 3.41Å; I200-W305 VanDerWaalsContact CG2-CH2 3.41Å; I200-W305 HydrophobicContact CG2-CZ2 3.85Å; I200-W305 HydrophobicContact CG2-CZ3 3.48Å; I200-W305 VanDerWaalsContact CG2-CZ3 3.48Å; I200-L308 HydrophobicContact CD1-CB 4.28Å; I200-L308 HydrophobicContact CD1-CD2 4.29Å
201	D	94.4	Very high	91.5	Very high	16 Å²	16	25.8 Å²	25.8	9%	0.086	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-39.2	177.9	-174.4	57.1	0	0	0	111.6	V197 I203 H204 Q205 W305 V373	V197-D201 WeakPolarHBondContact O-CB 3.31Å; V197-D201 PolarHBondContact O-N 3.29Å; D201-I203 VanDerWaalsContact C-N 3.32Å; D201-I203 PolarHBondContact O-N 2.73Å; D201-H204 PolarHBondContact O-N 3.33Å; D201-H204 VanDerWaalsContact O-N 3.14Å; D201-Q205 WeakPolarHBondContact O-CG 3.49Å; D201-Q205 PolarHBondContact O-N 2.81Å; D201-Q205 PolarHBondContact OD2-NE2 3.08Å; D201-W305 HydrophobicContact CB-CH2 4.31Å; D201-V373 HydrophobicContact CB-CB 4.14Å; D201-V373 HydrophobicContact CB-CG2 3.78Å; D201-V373 WeakPolarHBondContact OD2-CG1 3.32Å
202	S	91.4	Very high	90.9	Very high	23 Å²	23	25 Å²	25	16%	0.161	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-43.5	175.8	179.8	0	0	0	0	112.4	S146 L198 A199 I200 M206	S146-S202 PolarHBondContact OG-OG 3.25Å; L198-S202 WeakPolarHBondContact O-CB 3.23Å; L198-S202 PolarHBondContact O-N 3.04Å; A199-S202 PolarHBondContact O-N 2.92Å; I200-S202 VanDerWaalsContact C-N 3.33Å; I200-S202 PolarHBondContact O-N 3.43Å; S202-M206 WeakPolarHBondContact O-CE 2.98Å; S202-M206 WeakPolarHBondContact O-CG 3.4Å; S202-M206 PolarHBondContact O-N 3.26Å
203	I	88.1	Confident	90.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-73	-33.5	177.6	61.1	171.4	0	0	0	112.6	V149 A199 I200 D201 M206 G207 F208 H210 L228 F231	V149-I203 HydrophobicContact CG2-CG2 3.67Å; A199-I203 PolarHBondContact O-N 3.34Å; I200-I203 WeakPolarHBondContact O-CG1 3.26Å; I200-I203 PolarHBondContact O-N 2.87Å; D201-I203 VanDerWaalsContact C-N 3.32Å; D201-I203 PolarHBondContact O-N 2.73Å; I203-M206 HydrophobicContact CB-CE 4.27Å; I203-M206 HydrophobicContact CG2-CE 3.84Å; I203-M206 PolarHBondContact O-N 3.36Å; I203-G207 PolarHBondContact O-N 3.39Å; I203-F208 CarbonylContact C-O 3.57Å; I203-F208 PolarHBondContact O-N 3.14Å; I203-H210 HydrophobicContact CD1-CB 3.67Å; I203-L228 HydrophobicContact CD1-CD1 4.06Å; I203-F231 HydrophobicContact CD1-CE1 4.33Å; I203-F231 HydrophobicContact CG2-CE1 4.01Å
204	H	89.1	Confident	90.3	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.065	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-38	174.9	-72.8	-174.8	0	0	0	112	I200 D201 M206 G207 F208 K301 D304	I200-H204 WeakPolarHBondContact CG2-CE1 3.34Å; I200-H204 WeakPolarHBondContact CG2-NE2 3.08Å; I200-H204 PolarHBondContact O-CD2 3.44Å; I200-H204 PolarHBondContact O-N 2.97Å; D201-H204 PolarHBondContact O-N 3.33Å; D201-H204 VanDerWaalsContact O-N 3.14Å; H204-M206 VanDerWaalsContact C-N 3.26Å; H204-M206 PolarHBondContact O-N 2.97Å; H204-G207 PolarHBondContact O-N 3.13Å; H204-F208 WeakPolarHBondContact CA-O 2.85Å; H204-F208 PolarHBondContact CD2-O 2.75Å; H204-K301 HydrophobicContact CB-CD 4.14Å; H204-K301 PolarHBondContact CE1-O 3.27Å; H204-D304 IonicContact CD2-OD2 2.66Å; H204-D304 IonicContact CE1-OD2 3.69Å; H204-D304 IonicContact NE2-OD2 3.57Å; H204-D304 PolarHBondContact NE2-OD2 2.64Å
205	Q	87.6	Confident	90	Very high	150 Å²	150	25.6 Å²	25.6	70%	0.701	14%	0.138	S	C	*	.	H	α-helix	trans	-65.1	-30.4	174.3	-71.5	-178.2	22.4	0	0	112.4	D201 G207	D201-Q205 WeakPolarHBondContact O-CG 3.49Å; D201-Q205 PolarHBondContact O-N 2.81Å; D201-Q205 PolarHBondContact OD2-NE2 3.08Å; Q205-G207 PolarHBondContact O-N 3.17Å
206	M	81.4	Confident	89.5	Confident	63 Å²	63	27.2 Å²	27.2	31%	0.31	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.5	171.9	-66.3	-175.4	-69	0	0	113.2	A144 S202 I203 H204 F208	A144-M206 HydrophobicContact CB-CE 3.91Å; A144-M206 HydrophobicContact CB-SD 4.1Å; S202-M206 WeakPolarHBondContact O-CE 2.98Å; S202-M206 WeakPolarHBondContact O-CG 3.4Å; S202-M206 PolarHBondContact O-N 3.26Å; I203-M206 HydrophobicContact CB-CE 4.27Å; I203-M206 HydrophobicContact CG2-CE 3.84Å; I203-M206 PolarHBondContact O-N 3.36Å; H204-M206 VanDerWaalsContact C-N 3.26Å; H204-M206 PolarHBondContact O-N 2.97Å; M206-F208 HydrophobicContact CB-CD2 3.68Å; M206-F208 HydrophobicContact CB-CE2 3.97Å; M206-F208 WeakPolarHBondContact O-CD2 3.36Å; M206-F208 WeakPolarHBondContact O-CE2 3.01Å
207	G	81.1	Confident	89.2	Confident	65 Å²	65	27.3 Å²	27.3	67%	0.67	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	12.7	178	0	0	0	0	0	114.7	I203 H204 Q205	I203-G207 PolarHBondContact O-N 3.39Å; H204-G207 PolarHBondContact O-N 3.13Å; Q205-G207 PolarHBondContact O-N 3.17Å
208	F	80.7	Confident	89	Confident	48 Å²	48	27.4 Å²	27.4	21%	0.211	15%	0.148	C	C	.	.			trans	-103.8	152.1	179.7	-59.3	-72.9	0	0	0	111.7	I140 I203 H204 M206	I140-F208 HydrophobicContact CD1-CB 4.22Å; I140-F208 HydrophobicContact CD1-CD1 3.63Å; I140-F208 HydrophobicContact CD1-CE1 4.13Å; I140-F208 HydrophobicContact CD1-CG 3.92Å; I140-F208 HydrophobicContact CG1-CB 4.42Å; I140-F208 HydrophobicContact CG1-CD1 3.37Å; I140-F208 HydrophobicContact CG1-CD2 3.97Å; I140-F208 HydrophobicContact CG1-CE1 3.42Å; I140-F208 VanDerWaalsContact CG1-CE1 3.42Å; I140-F208 HydrophobicContact CG1-CE2 4.02Å; I140-F208 HydrophobicContact CG1-CG 3.65Å; I140-F208 HydrophobicContact CG1-CZ 3.75Å; I203-F208 CarbonylContact C-O 3.57Å; I203-F208 PolarHBondContact O-N 3.14Å; H204-F208 WeakPolarHBondContact CA-O 2.85Å; H204-F208 PolarHBondContact CD2-O 2.75Å; M206-F208 HydrophobicContact CB-CD2 3.68Å; M206-F208 HydrophobicContact CB-CE2 3.97Å; M206-F208 WeakPolarHBondContact O-CD2 3.36Å; M206-F208 WeakPolarHBondContact O-CE2 3.01Å
209	I	83.4	Confident	89	Confident	38 Å²	38	28.1 Å²	28.1	20%	0.195	15%	0.152	C	C	.	.			trans	-122.2	128.8	172.5	-54	173.5	0	0	0	106.5	R211 C234 K301 D304	I209-R211 HydrophobicContact CB-CG 4.18Å; I209-R211 HydrophobicContact CG2-CG 3.64Å; I209-C234 PolarHBondContact O-SG 3.08Å; I209-K301 HydrophobicContact CD1-CB 4.05Å; I209-K301 HydrophobicContact CG1-CB 3.83Å; I209-D304 WeakPolarHBondContact CG2-OD2 2.96Å
210	H	86.1	Confident	89	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.			trans	-74	-46.5	-172.5	-165.6	-53.6	0	0	0	112.8	I203 D212 I213 S229 D230 F231 C234 D304	I203-H210 HydrophobicContact CD1-CB 3.67Å; H210-D212 PolarHBondContact CE1-O 3Å; H210-D212 PolarHBondContact ND1-N 3.22Å; H210-D212 PolarHBondContact O-N 2.84Å; H210-D212 VanDerWaalsContact O-N 3.08Å; H210-I213 HydrophobicContact CB-CD1 3.68Å; H210-I213 HydrophobicContact CB-CG1 3.82Å; H210-I213 WeakPolarHBondContact CD2-CD1 3.49Å; H210-S229 PolarHBondContact NE2-O 2.91Å; H210-D230 PolarHBondContact CE1-O 3.33Å; H210-F231 AromaticContact CD2-CD1 3.75Å; H210-F231 AromaticContact CD2-CE1 3.63Å; H210-F231 AromaticContact NE2-CD1 3.97Å; H210-F231 AromaticContact NE2-CE1 3.94Å; H210-C234 WeakPolarHBondContact O-CA 3.44Å; H210-D304 PolarHBondContact N-OD2 2.82Å
211	R	83.8	Confident	89	Confident	78 Å²	78	29.3 Å²	29.3	29%	0.294	16%	0.158	S	C	.	.	S	Bend	trans	64.9	0.2	177.4	-45.5	-167.6	-171.5	166.4	-14.3	117.5	I209 C234 Y299 D304	I209-R211 HydrophobicContact CB-CG 4.18Å; I209-R211 HydrophobicContact CG2-CG 3.64Å; R211-C234 WeakPolarHBondContact CD-O 3.38Å; R211-C234 PolarHBondContact NE-O 3.42Å; R211-C234 PolarHBondContact NH1-O 3.13Å; R211-Y299 WeakPolarHBondContact CD-OH 3.39Å; R211-Y299 HydrophobicContact CG-CE2 4.27Å; R211-Y299 PolarHBondContact NE-OH 3.25Å; R211-Y299 PolarHBondContact NH1-OH 3.42Å; R211-D304 WeakPolarHBondContact CA-OD1 3.11Å; R211-D304 PolarHBondContact N-OD1 3.37Å
212	D	85.1	Confident	88.9	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.037	17%	0.167	C	C	.	.			trans	-144.6	47.1	178	-164.4	38.4	0	0	0	109.7	H210 K214 N217 L233 H241	H210-D212 PolarHBondContact CE1-O 3Å; H210-D212 PolarHBondContact ND1-N 3.22Å; H210-D212 PolarHBondContact O-N 2.84Å; H210-D212 VanDerWaalsContact O-N 3.08Å; D212-K214 VanDerWaalsContact CG-CE 3.44Å; D212-K214 PolarHBondContact O-N 3.33Å; D212-K214 IonicContact OD1-NZ 2.96Å; D212-K214 WeakPolarHBondContact OD2-CE 3.49Å; D212-K214 IonicContact OD2-NZ 2.81Å; D212-K214 PolarHBondContact OD2-NZ 2.57Å; D212-N217 PolarHBondContact O-ND2 2.97Å; D212-N217 PolarHBondContact OD2-ND2 3.03Å; D212-L233 HydrophobicContact CB-CB 3.53Å; D212-L233 WeakPolarHBondContact OD2-CD1 3.47Å; D212-H241 IonicContact OD1-CE1 3.65Å
213	I	91.9	Very high	89	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.185	C	C	.	.			trans	-73.4	119.8	172.7	-65.1	-64.8	0	0	0	108.1	I200 H210 L228 Y288 D304 S307 I311	I200-I213 HydrophobicContact CD1-CD1 4.13Å; I200-I213 HydrophobicContact CD1-CG1 4.13Å; I200-I213 HydrophobicContact CD1-CG2 4.18Å; I200-I213 HydrophobicContact CG1-CD1 3.98Å; I200-I213 HydrophobicContact CG1-CG1 4.4Å; H210-I213 HydrophobicContact CB-CD1 3.68Å; H210-I213 HydrophobicContact CB-CG1 3.82Å; H210-I213 WeakPolarHBondContact CD2-CD1 3.49Å; I213-L228 HydrophobicContact CD1-CD1 4.34Å; I213-L228 HydrophobicContact CD1-CD2 4.06Å; I213-Y288 WeakPolarHBondContact O-CB 3.24Å; I213-D304 HydrophobicContact CG1-CB 4.08Å; I213-S307 WeakPolarHBondContact O-CB 3.14Å; I213-I311 HydrophobicContact CG2-CD1 3.58Å
214	K	91.5	Very high	89.4	Confident	12 Å²	12	35.2 Å²	35.2	5%	0.052	19%	0.185	C	C	.	.	S	Bend	trans	-164	161.1	-177.6	55.6	-176.1	176.8	165.7	0	108.7	D212 D216 N217 V218 Y288	D212-K214 VanDerWaalsContact CG-CE 3.44Å; D212-K214 PolarHBondContact O-N 3.33Å; D212-K214 IonicContact OD1-NZ 2.96Å; D212-K214 WeakPolarHBondContact OD2-CE 3.49Å; D212-K214 IonicContact OD2-NZ 2.81Å; D212-K214 PolarHBondContact OD2-NZ 2.57Å; K214-D216 VanDerWaalsContact C-N 3.28Å; K214-D216 WeakPolarHBondContact CD-OD1 3.48Å; K214-D216 WeakPolarHBondContact CD-OD2 2.98Å; K214-D216 VanDerWaalsContact CE-CG 3.46Å; K214-D216 WeakPolarHBondContact CE-OD2 3.43Å; K214-D216 WeakPolarHBondContact CG-OD1 3.23Å; K214-D216 IonicContact NZ-OD2 3.93Å; K214-D216 PolarHBondContact NZ-OD2 3.35Å; K214-D216 PolarHBondContact O-N 2.66Å; K214-N217 WeakPolarHBondContact CE-ND2 3.44Å; K214-N217 WeakPolarHBondContact CE-OD1 3.44Å; K214-N217 HydrophobicContact CG-CB 4.25Å; K214-N217 PolarHBondContact O-N 3.28Å; K214-V218 PolarHBondContact O-N 3.41Å; K214-Y288 HydrophobicContact CB-CD1 4.33Å; K214-Y288 HydrophobicContact CB-CD2 3.64Å; K214-Y288 HydrophobicContact CB-CE2 3.96Å; K214-Y288 HydrophobicContact CB-CG 3.87Å
215	P	92.8	Very high	89.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.9	-172.8	-25.4	34.8	0	0	0	115.2	M174 M175 L178 N217 V218 Y288 I311 E314	M174-P215 HydrophobicContact CB-CB 4.13Å; M174-P215 WeakPolarHBondContact CB-O 3.27Å; M174-P215 HydrophobicContact CG-CB 4.13Å; M174-P215 PolarHBondContact N-O 3.18Å; M175-P215 HydrophobicContact CB-CB 3.87Å; M175-P215 PolarHBondContact N-O 3.42Å; L178-P215 HydrophobicContact CD1-CB 4.19Å; L178-P215 HydrophobicContact CD1-CG 4.22Å; P215-N217 VanDerWaalsContact C-N 3.27Å; P215-N217 PolarHBondContact O-N 3.01Å; P215-V218 PolarHBondContact O-N 3.31Å; P215-Y288 HydrophobicContact CG-CE1 4.18Å; P215-I311 HydrophobicContact CG-CG1 4.12Å; P215-I311 HydrophobicContact CG-CG2 4.49Å; P215-E314 WeakPolarHBondContact CG-OE2 3.31Å
216	D	87.9	Confident	90.2	Very high	34 Å²	34	27.6 Å²	27.6	18%	0.182	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-69.6	-21.6	176.3	47.3	-61.1	0	0	0	113.9	M175 K214	M175-D216 HydrophobicContact CB-CB 4.29Å; M175-D216 HydrophobicContact SD-CB 4.28Å; K214-D216 VanDerWaalsContact C-N 3.28Å; K214-D216 WeakPolarHBondContact CD-OD1 3.48Å; K214-D216 WeakPolarHBondContact CD-OD2 2.98Å; K214-D216 VanDerWaalsContact CE-CG 3.46Å; K214-D216 WeakPolarHBondContact CE-OD2 3.43Å; K214-D216 WeakPolarHBondContact CG-OD1 3.23Å; K214-D216 IonicContact NZ-OD2 3.93Å; K214-D216 PolarHBondContact NZ-OD2 3.35Å; K214-D216 PolarHBondContact O-N 2.66Å
217	N	91.3	Very high	90.9	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-94.4	-6.4	178.4	-73.3	-2.5	0	0	0	113.1	D212 K214 P215 S229	D212-N217 PolarHBondContact O-ND2 2.97Å; D212-N217 PolarHBondContact OD2-ND2 3.03Å; K214-N217 WeakPolarHBondContact CE-ND2 3.44Å; K214-N217 WeakPolarHBondContact CE-OD1 3.44Å; K214-N217 HydrophobicContact CG-CB 4.25Å; K214-N217 PolarHBondContact O-N 3.28Å; P215-N217 VanDerWaalsContact C-N 3.27Å; P215-N217 PolarHBondContact O-N 3.01Å; N217-S229 PolarHBondContact O-N 3.3Å; N217-S229 PolarHBondContact O-OG 2.85Å
218	V	95.3	Very high	91.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	102.3	176.3	179.4	0	0	0	0	108	D173 M174 K214 P215 V226 L228	D173-V218 WeakPolarHBondContact CA-O 3.42Å; M174-V218 HydrophobicContact CB-CB 3.9Å; M174-V218 HydrophobicContact CB-CG1 4.03Å; M174-V218 WeakPolarHBondContact CB-O 3.47Å; M174-V218 HydrophobicContact CE-CG1 4.5Å; M174-V218 PolarHBondContact N-O 3.16Å; K214-V218 PolarHBondContact O-N 3.41Å; P215-V218 PolarHBondContact O-N 3.31Å; V218-V226 HydrophobicContact CG1-CG1 3.72Å; V218-V226 HydrophobicContact CG1-CG2 4.12Å; V218-L228 HydrophobicContact CG2-CD2 4.13Å
219	L	95.6	Very high	91.8	Very high	34 Å²	34	21 Å²	21	18%	0.178	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	157.8	-177.6	-56.1	-172.2	0	0	0	111.9	V150 L169 G172 D173 V226 K227 S229	V150-L219 HydrophobicContact CG2-CD1 3.99Å; L169-L219 HydrophobicContact CD1-CB 3.64Å; L169-L219 HydrophobicContact CD1-CD1 3.99Å; L169-L219 HydrophobicContact CD1-CG 4.47Å; G172-L219 WeakPolarHBondContact O-CA 3.44Å; D173-L219 HydrophobicContact CB-CD2 3.55Å; L219-V226 CarbonylContact O-C 3.57Å; L219-V226 WeakPolarHBondContact O-CA 3.5Å; L219-K227 PolarHBondContact N-O 3.14Å; L219-K227 PolarHBondContact O-N 3.23Å; L219-S229 VanDerWaalsContact CD1-CB 3.49Å; L219-S229 WeakPolarHBondContact CG-OG 3.4Å
220	L	95.9	Very high	91.5	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.7	179.5	-59.2	176.5	0	0	0	110.7	L169 G171 G172 M174 L177 Y192 H225 V226	L169-L220 WeakPolarHBondContact CB-O 3.46Å; G171-L220 WeakPolarHBondContact CA-O 3.4Å; G171-L220 PolarHBondContact N-O 3.13Å; G171-L220 VanDerWaalsContact N-O 3.08Å; G172-L220 PolarHBondContact O-N 3.06Å; M174-L220 HydrophobicContact CE-CD2 4.27Å; L177-L220 HydrophobicContact CD2-CD1 3.82Å; Y192-L220 HydrophobicContact CD1-CD2 4.32Å; Y192-L220 HydrophobicContact CE1-CD2 3.75Å; L220-H225 WeakPolarHBondContact CA-O 3.36Å; L220-V226 HydrophobicContact CD2-CG2 4.26Å
221	D	94.3	Very high	90.7	Very high	21 Å²	21	21.2 Å²	21.2	11%	0.112	10%	0.104	C	C	.	.			trans	-73.1	178.7	174.1	71.1	25.2	0	0	0	112.5	L169 K223 G224 H225 R391	L169-D221 HydrophobicContact CD2-CB 4.02Å; D221-K223 PolarHBondContact O-N 2.92Å; D221-K223 WeakPolarHBondContact OD1-CA 3.17Å; D221-K223 WeakPolarHBondContact OD1-CB 3.31Å; D221-K223 PolarHBondContact OD1-N 3.12Å; D221-G224 PolarHBondContact O-N 3.34Å; D221-G224 PolarHBondContact OD1-N 3.42Å; D221-G224 VanDerWaalsContact OD1-N 3.09Å; D221-H225 PolarHBondContact N-O 2.87Å; D221-H225 IonicContact OD1-CD2 2.78Å; D221-H225 PolarHBondContact OD1-N 3.44Å; D221-R391 IonicContact OD2-NH2 2.7Å; D221-R391 PolarHBondContact OD2-NH2 2.66Å; D221-R391 VanDerWaalsContact OD2-NH2 3.09Å
222	S	93.4	Very high	89.4	Confident	38 Å²	38	17.7 Å²	17.7	27%	0.266	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.1	-178.3	63.8	0	0	0	0	114.5
223	K	93.7	Very high	87.6	Confident	124 Å²	124	18 Å²	18	54%	0.539	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-6.2	176.9	-66.5	-178.5	-178.1	-176.4	0	112.1	D221 A395	D221-K223 PolarHBondContact O-N 2.92Å; D221-K223 WeakPolarHBondContact OD1-CA 3.17Å; D221-K223 WeakPolarHBondContact OD1-CB 3.31Å; D221-K223 PolarHBondContact OD1-N 3.12Å; K223-A395 VanDerWaalsContact O-CB 3.26Å; K223-A395 WeakPolarHBondContact O-CB 3.48Å
224	G	94.9	Very high	85.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	91	12.4	-179	0	0	0	0	0	115	D221 A395	D221-G224 PolarHBondContact O-N 3.34Å; D221-G224 PolarHBondContact OD1-N 3.42Å; D221-G224 VanDerWaalsContact OD1-N 3.09Å; G224-A395 WeakPolarHBondContact O-CB 3.13Å
225	H	97.1	Very high	83.4	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.019	11%	0.114	C	C	.	.			trans	-88.7	151.6	176.3	-62.6	-85.2	0	0	0	112.3	F191 E195 L220 D221 R391 R393	F191-H225 AromaticContact CZ-CE1 3.86Å; F191-H225 AromaticContact CZ-ND1 3.59Å; E195-H225 IonicContact OE1-CE1 3.43Å; E195-H225 IonicContact OE1-CG 2.73Å; E195-H225 IonicContact OE1-ND1 3.25Å; E195-H225 PolarHBondContact OE1-ND1 2.79Å; E195-H225 WeakPolarHBondContact OE2-CA 3.36Å; E195-H225 IonicContact OE2-ND1 3.37Å; L220-H225 WeakPolarHBondContact CA-O 3.36Å; D221-H225 PolarHBondContact N-O 2.87Å; D221-H225 IonicContact OD1-CD2 2.78Å; D221-H225 PolarHBondContact OD1-N 3.44Å; H225-R391 HydrophobicContact CB-CG 4.18Å; H225-R391 PolarHBondContact CE1-O 3.21Å; H225-R391 PolarHBondContact NE2-O 3Å; H225-R393 PolarHBondContact CE1-O 3.02Å; H225-R393 PolarHBondContact NE2-O 3.38Å; H225-R393 VanDerWaalsContact NE2-O 3.16Å
226	V	96.9	Very high	81.3	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.6	-175.9	171.8	0	0	0	0	112.3	Y192 E195 V218 L219 L220 R391	Y192-V226 HydrophobicContact CD1-CG2 3.82Å; E195-V226 HydrophobicContact CB-CB 4.01Å; E195-V226 HydrophobicContact CB-CG2 3.99Å; E195-V226 PolarHBondContact OE2-N 3.38Å; V218-V226 HydrophobicContact CG1-CG1 3.72Å; V218-V226 HydrophobicContact CG1-CG2 4.12Å; L219-V226 CarbonylContact O-C 3.57Å; L219-V226 WeakPolarHBondContact O-CA 3.5Å; L220-V226 HydrophobicContact CD2-CG2 4.26Å; V226-R391 PolarHBondContact O-NH1 3.44Å; V226-R391 PolarHBondContact O-NH2 3.3Å; V226-R391 VanDerWaalsContact O-NH2 3.1Å
227	K	95.4	Very high	79.4	Confident	21 Å²	21	21.3 Å²	21.3	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.1	160.5	-74.5	176.5	166.2	-104.2	0	110	L147 W148 V149 V150 E167 L169 L219	L147-K227 WeakPolarHBondContact O-CE 3.42Å; L147-K227 PolarHBondContact O-NZ 3.39Å; W148-K227 CarbonylContact O-C 3.49Å; W148-K227 WeakPolarHBondContact O-CA 3.41Å; V149-K227 PolarHBondContact O-NZ 3.43Å; V150-K227 HydrophobicContact CG2-CB 4.18Å; E167-K227 IonicContact OE1-NZ 3.41Å; E167-K227 PolarHBondContact OE1-NZ 2.92Å; E167-K227 IonicContact OE2-NZ 3.99Å; L169-K227 HydrophobicContact CD1-CB 3.81Å; L169-K227 HydrophobicContact CD1-CD 3.75Å; L169-K227 HydrophobicContact CD1-CG 4.35Å; L169-K227 HydrophobicContact CD2-CD 3.86Å; L169-K227 HydrophobicContact CG-CD 4.49Å; L219-K227 PolarHBondContact N-O 3.14Å; L219-K227 PolarHBondContact O-N 3.23Å
228	L	93.1	Very high	77.7	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.3	174.8	-65.7	177.1	0	0	0	111	W148 V150 A199 I200 I203 I213 V218 F231	W148-L228 PolarHBondContact O-N 3.38Å; V150-L228 WeakPolarHBondContact CG2-O 3.39Å; V150-L228 PolarHBondContact N-O 3.17Å; A199-L228 HydrophobicContact CB-CD1 3.65Å; A199-L228 HydrophobicContact CB-CG 3.77Å; I200-L228 HydrophobicContact CG1-CD1 4.2Å; I203-L228 HydrophobicContact CD1-CD1 4.06Å; I213-L228 HydrophobicContact CD1-CD1 4.34Å; I213-L228 HydrophobicContact CD1-CD2 4.06Å; V218-L228 HydrophobicContact CG2-CD2 4.13Å; L228-F231 HydrophobicContact CB-CE1 4.16Å; L228-F231 HydrophobicContact CB-CZ 3.74Å
229	S	88.3	Confident	75.8	Confident	16 Å²	16	28.5 Å²	28.5	11%	0.112	15%	0.15	C	C	.	.			trans	-129.3	169.8	177.5	71.4	0	0	0	0	111.3	H210 N217 L219	H210-S229 PolarHBondContact NE2-O 2.91Å; N217-S229 PolarHBondContact O-N 3.3Å; N217-S229 PolarHBondContact O-OG 2.85Å; L219-S229 VanDerWaalsContact CD1-CB 3.49Å; L219-S229 WeakPolarHBondContact CG-OG 3.4Å
230	D	76.6	Confident	73.8	Confident	42 Å²	42	26.9 Å²	26.9	23%	0.225	14%	0.142	C	C	.	.			trans	57.9	61.3	172.2	-154.4	14.2	0	0	0	115.3	K118 H210 G232 L233	K118-D230 IonicContact NZ-OD1 2.76Å; K118-D230 PolarHBondContact NZ-OD1 3.19Å; H210-D230 PolarHBondContact CE1-O 3.33Å; D230-G232 PolarHBondContact O-N 3.05Å; D230-L233 WeakPolarHBondContact OD2-CD1 3.33Å
231	F	69.6	Low	71.9	Confident	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-75.2	3.4	171.4	-51.9	-84.3	0	0	0	113.2	E137 I140 L141 V149 I203 H210 L228 L233 C234	E137-F231 HydrophobicContact CG-CB 4.33Å; I140-F231 HydrophobicContact CB-CB 4.42Å; I140-F231 HydrophobicContact CB-CG 4.5Å; I140-F231 HydrophobicContact CD1-CB 3.79Å; I140-F231 HydrophobicContact CD1-CG 4.35Å; I140-F231 HydrophobicContact CG2-CB 4.25Å; I140-F231 HydrophobicContact CG2-CD1 4.03Å; I140-F231 HydrophobicContact CG2-CD2 4.06Å; I140-F231 HydrophobicContact CG2-CE1 4.46Å; I140-F231 HydrophobicContact CG2-CG 3.81Å; L141-F231 HydrophobicContact CD2-CD2 3.84Å; L141-F231 HydrophobicContact CD2-CE2 3.84Å; L141-F231 HydrophobicContact CG-CD2 4.21Å; V149-F231 HydrophobicContact CB-CZ 4.21Å; V149-F231 HydrophobicContact CG1-CD2 4.47Å; V149-F231 HydrophobicContact CG1-CE2 3.42Å; V149-F231 VanDerWaalsContact CG1-CE2 3.42Å; V149-F231 HydrophobicContact CG1-CZ 3.52Å; V149-F231 HydrophobicContact CG2-CZ 3.85Å; I203-F231 HydrophobicContact CD1-CE1 4.33Å; I203-F231 HydrophobicContact CG2-CE1 4.01Å; H210-F231 AromaticContact CD2-CD1 3.75Å; H210-F231 AromaticContact CD2-CE1 3.63Å; H210-F231 AromaticContact NE2-CD1 3.97Å; H210-F231 AromaticContact NE2-CE1 3.94Å; L228-F231 HydrophobicContact CB-CE1 4.16Å; L228-F231 HydrophobicContact CB-CZ 3.74Å; F231-L233 PolarHBondContact O-N 3.11Å; F231-C234 PolarHBondContact O-N 3.25Å; F231-C234 PolarHBondContact O-SG 3.44Å
232	G	56.3	Low	70.4	Confident	4 Å²	4	31 Å²	31	4%	0.041	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.2	-10.2	179.5	0	0	0	0	0	114	H133 E137 D230 L237	H133-G232 WeakPolarHBondContact CB-O 3.45Å; E137-G232 WeakPolarHBondContact OE2-CA 3.45Å; D230-G232 PolarHBondContact O-N 3.05Å; G232-L237 WeakPolarHBondContact O-CD1 3.37Å
233	L	48.6	Very low	68.9	Low	15 Å²	15	31.6 Å²	31.6	8%	0.079	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-105.2	18.5	-178.2	-73.4	133.8	0	0	0	113.6	D212 D230 F231 T235 G236 L237	D212-L233 HydrophobicContact CB-CB 3.53Å; D212-L233 WeakPolarHBondContact OD2-CD1 3.47Å; D230-L233 WeakPolarHBondContact OD2-CD1 3.33Å; F231-L233 PolarHBondContact O-N 3.11Å; L233-T235 PolarHBondContact O-N 3.44Å; L233-G236 PolarHBondContact O-N 3.01Å; L233-G236 VanDerWaalsContact O-N 3.12Å; L233-L237 HydrophobicContact CD2-CB 3.35Å; L233-L237 HydrophobicContact CD2-CD1 3.7Å; L233-L237 HydrophobicContact CD2-CG 3.37Å; L233-L237 HydrophobicContact CG-CB 4.35Å; L233-L237 HydrophobicContact CG-CD1 3.78Å; L233-L237 HydrophobicContact CG-CG 3.87Å
234	C	48.3	Very low	67.7	Low	18 Å²	18	31.3 Å²	31.3	12%	0.122	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	13.1	170.1	-68.6	0	0	0	0	114.3	I209 H210 R211 F231	I209-C234 PolarHBondContact O-SG 3.08Å; H210-C234 WeakPolarHBondContact O-CA 3.44Å; R211-C234 WeakPolarHBondContact CD-O 3.38Å; R211-C234 PolarHBondContact NE-O 3.42Å; R211-C234 PolarHBondContact NH1-O 3.13Å; F231-C234 PolarHBondContact O-N 3.25Å; F231-C234 PolarHBondContact O-SG 3.44Å
235	T	46.6	Very low	66.3	Low	60 Å²	60	34.9 Å²	34.9	37%	0.368	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-160.9	65.8	164	27.6	0	0	0	0	110.7	H133 L233 L237	H133-T235 PolarHBondContact CD2-OG1 2.88Å; H133-T235 PolarHBondContact NE2-OG1 3.4Å; L233-T235 PolarHBondContact O-N 3.44Å; T235-L237 WeakPolarHBondContact O-CD2 3.43Å; T235-L237 PolarHBondContact O-N 3Å
236	G	48.1	Very low	64.9	Low	18 Å²	18	34.8 Å²	34.8	19%	0.186	17%	0.174	C	C	.	.			trans	46.5	68.9	154.3	0	0	0	0	0	118.6	L233 R242	L233-G236 PolarHBondContact O-N 3.01Å; L233-G236 VanDerWaalsContact O-N 3.12Å; G236-R242 WeakPolarHBondContact O-CG 3.5Å
237	L	48.1	Very low	63.6	Low	19 Å²	19	42.8 Å²	42.8	10%	0.099	20%	0.204	C	C	.	.			trans	-83.1	-28.2	-171.8	-49.7	-176.8	0	0	0	115.6	F100 Q130 H133 G232 L233 T235	F100-L237 HydrophobicContact CE2-CB 4.26Å; F100-L237 HydrophobicContact CE2-CD1 3.87Å; F100-L237 HydrophobicContact CZ-CB 4.3Å; F100-L237 HydrophobicContact CZ-CD1 4.42Å; Q130-L237 VanDerWaalsContact OE1-CD1 3.3Å; H133-L237 WeakPolarHBondContact ND1-CD2 3.45Å; G232-L237 WeakPolarHBondContact O-CD1 3.37Å; L233-L237 HydrophobicContact CD2-CB 3.35Å; L233-L237 HydrophobicContact CD2-CD1 3.7Å; L233-L237 HydrophobicContact CD2-CG 3.37Å; L233-L237 HydrophobicContact CG-CB 4.35Å; L233-L237 HydrophobicContact CG-CD1 3.78Å; L233-L237 HydrophobicContact CG-CG 3.87Å; T235-L237 WeakPolarHBondContact O-CD2 3.43Å; T235-L237 PolarHBondContact O-N 3Å
238	K	55.4	Low	62.4	Low	26 Å²	26	49.1 Å²	49.1	11%	0.113	24%	0.239	C	C	.	.	S	Bend	trans	-66.9	137.5	176.1	-83.6	165.8	167.3	-159.9	0	108.3	A240 H241 L278 A279 S281 V283	K238-A240 PolarHBondContact O-N 2.8Å; K238-A240 VanDerWaalsContact O-N 3.15Å; K238-H241 HydrophobicContact CB-CB 4.25Å; K238-H241 WeakPolarHBondContact O-CA 3.46Å; K238-H241 VanDerWaalsContact O-CB 3.25Å; K238-H241 WeakPolarHBondContact O-CB 3.4Å; K238-H241 PolarHBondContact O-N 3.36Å; K238-L278 PolarHBondContact NZ-O 3.37Å; K238-A279 PolarHBondContact NZ-O 3.15Å; K238-S281 WeakPolarHBondContact CE-O 3.45Å; K238-V283 WeakPolarHBondContact CB-O 3.43Å
239	K	55.5	Low	61.2	Low	133 Å²	133	51.7 Å²	51.7	58%	0.578	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-54.3	-39.4	-176.9	-77.4	-175.3	176.7	-179	0	111.6	H241 R242 F245 T282 V283	K239-H241 PolarHBondContact O-N 2.7Å; K239-R242 PolarHBondContact O-N 3.21Å; K239-F245 HydrophobicContact CB-CD2 4.18Å; K239-F245 WeakPolarHBondContact O-CB 3.43Å; K239-T282 PolarHBondContact N-O 3.02Å; K239-V283 PolarHBondContact N-O 3.21Å
240	A	52.8	Low	60.3	Low	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-69.7	-7.7	176.5	0	0	0	0	0	114.2	K238 Y246 V283 G284 P327	K238-A240 PolarHBondContact O-N 2.8Å; K238-A240 VanDerWaalsContact O-N 3.15Å; A240-Y246 WeakPolarHBondContact CA-OH 3.32Å; A240-Y246 WeakPolarHBondContact CB-OH 3.46Å; A240-Y246 WeakPolarHBondContact O-CE2 3.49Å; A240-Y246 PolarHBondContact O-OH 3.01Å; A240-V283 HydrophobicContact CB-CG1 4.2Å; A240-V283 WeakPolarHBondContact CB-O 3.26Å; A240-V283 PolarHBondContact N-O 2.96Å; A240-G284 WeakPolarHBondContact CB-O 3.44Å; A240-P327 HydrophobicContact CB-CB 3.99Å
241	H	56.7	Low	59.7	Low	14 Å²	14	60 Å²	60	7%	0.065	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-93.6	-6.9	175.7	-60.7	-169.6	0	0	0	112.1	D212 K238 K239 T285 I289	D212-H241 IonicContact OD1-CE1 3.65Å; K238-H241 HydrophobicContact CB-CB 4.25Å; K238-H241 WeakPolarHBondContact O-CA 3.46Å; K238-H241 VanDerWaalsContact O-CB 3.25Å; K238-H241 WeakPolarHBondContact O-CB 3.4Å; K238-H241 PolarHBondContact O-N 3.36Å; K239-H241 PolarHBondContact O-N 2.7Å; H241-T285 PolarHBondContact NE2-O 3.03Å; H241-I289 HydrophobicContact CB-CD1 3.56Å; H241-I289 WeakPolarHBondContact CD2-CD1 3.24Å
242	R	63.3	Low	59.6	Low	98 Å²	98	62.9 Å²	62.9	37%	0.37	31%	0.313	S	S	.	.	S	Bend	trans	-96.1	133.1	178.6	-61.2	-174.8	-177.8	-170.9	0.4	111	G236 K239 E244 F245	G236-R242 WeakPolarHBondContact O-CG 3.5Å; K239-R242 PolarHBondContact O-N 3.21Å; R242-E244 PolarHBondContact O-N 3.45Å; R242-E244 VanDerWaalsContact O-N 3.1Å; R242-F245 WeakPolarHBondContact O-CB 3.15Å; R242-F245 PolarHBondContact O-N 3.5Å
243	T	61.6	Low	59.8	Low	50 Å²	50	66 Å²	66	31%	0.307	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-52.9	-33.9	174.2	-50.5	0	0	0	0	112.8	F245 Y246 R247 F294	T243-F245 PolarHBondContact O-N 3.46Å; T243-Y246 PolarHBondContact O-N 2.84Å; T243-Y246 VanDerWaalsContact O-N 3.11Å; T243-R247 PolarHBondContact O-N 3.18Å; T243-F294 WeakPolarHBondContact CG2-O 3.49Å; T243-F294 PolarHBondContact OG1-O 3.25Å
244	E	67.6	Low	60.4	Low	118 Å²	118	65.8 Å²	65.8	55%	0.551	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-59.6	-31.3	-179.8	-50.5	-161.2	118.7	0	0	113.6	R242 Y246 R247	R242-E244 PolarHBondContact O-N 3.45Å; R242-E244 VanDerWaalsContact O-N 3.1Å; E244-Y246 PolarHBondContact O-N 3.34Å; E244-R247 WeakPolarHBondContact O-CB 3.42Å; E244-R247 PolarHBondContact O-N 3.36Å; E244-R247 IonicContact OE1-CZ 3.78Å; E244-R247 IonicContact OE1-NH2 3.08Å; E244-R247 PolarHBondContact OE1-NH2 3.41Å
245	F	66	Low	60.9	Low	75 Å²	75	71.4 Å²	71.4	33%	0.329	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25.2	-179.8	-174.8	-97.6	0	0	0	112.4	K239 R242 T243 V283 P327 Q328	K239-F245 HydrophobicContact CB-CD2 4.18Å; K239-F245 WeakPolarHBondContact O-CB 3.43Å; R242-F245 WeakPolarHBondContact O-CB 3.15Å; R242-F245 PolarHBondContact O-N 3.5Å; T243-F245 PolarHBondContact O-N 3.46Å; F245-V283 HydrophobicContact CZ-CG1 4.33Å; F245-P327 HydrophobicContact CE1-CB 4.46Å; F245-Q328 HydrophobicContact CE1-CG 4.47Å
246	Y	69.1	Low	61.7	Low	3 Å²	3	69.3 Å²	69.3	1%	0.012	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-108.1	6.8	-178.2	-51.8	-76.7	0	0	0	113.9	A240 T243 E244 N248 L249 P286 F294 Y331	A240-Y246 WeakPolarHBondContact CA-OH 3.32Å; A240-Y246 WeakPolarHBondContact CB-OH 3.46Å; A240-Y246 WeakPolarHBondContact O-CE2 3.49Å; A240-Y246 PolarHBondContact O-OH 3.01Å; T243-Y246 PolarHBondContact O-N 2.84Å; T243-Y246 VanDerWaalsContact O-N 3.11Å; E244-Y246 PolarHBondContact O-N 3.34Å; Y246-N248 PolarHBondContact O-N 3.22Å; Y246-L249 HydrophobicContact CD1-CD2 4.34Å; Y246-L249 WeakPolarHBondContact O-CB 3.33Å; Y246-L249 PolarHBondContact O-N 2.94Å; Y246-P286 WeakPolarHBondContact OH-CG 3.39Å; Y246-F294 HydrophobicContact CD2-CD1 4.14Å; Y246-F294 HydrophobicContact CD2-CE1 4.18Å; Y246-F294 HydrophobicContact CE2-CD1 4.14Å; Y246-F294 AromaticContact CE2-CE1 3.7Å; Y246-F294 HydrophobicContact CE2-CE1 3.7Å; Y246-F294 HydrophobicContact CE2-CZ 4.43Å; Y246-Y331 AromaticContact CD1-CD1 3.75Å; Y246-Y331 HydrophobicContact CD1-CD1 3.75Å; Y246-Y331 AromaticContact CD1-CD2 3.85Å; Y246-Y331 HydrophobicContact CD1-CD2 3.85Å; Y246-Y331 HydrophobicContact CD1-CE1 4.27Å; Y246-Y331 HydrophobicContact CD1-CE2 4.35Å; Y246-Y331 AromaticContact CD1-CG 3.5Å; Y246-Y331 HydrophobicContact CD1-CG 3.5Å; Y246-Y331 VanDerWaalsContact CD1-CG 3.5Å; Y246-Y331 AromaticContact CD2-CD2 3.56Å; Y246-Y331 HydrophobicContact CD2-CD2 3.56Å; Y246-Y331 AromaticContact CD2-CE2 3.67Å; Y246-Y331 HydrophobicContact CD2-CE2 3.67Å; Y246-Y331 HydrophobicContact CD2-CG 4.11Å; Y246-Y331 VanDerWaalsContact CE1-CB 3.41Å; Y246-Y331 HydrophobicContact CE1-CD1 4.32Å; Y246-Y331 HydrophobicContact CE1-CD2 4.03Å; Y246-Y331 AromaticContact CE1-CG 3.68Å; Y246-Y331 HydrophobicContact CE1-CG 3.68Å; Y246-Y331 AromaticContact CE2-CD2 3.74Å; Y246-Y331 HydrophobicContact CE2-CD2 3.74Å; Y246-Y331 HydrophobicContact CE2-CE2 4.28Å; Y246-Y331 HydrophobicContact CE2-CG 4.26Å; Y246-Y331 AromaticContact CG-CD1 3.98Å; Y246-Y331 HydrophobicContact CG-CD1 3.98Å; Y246-Y331 AromaticContact CG-CD2 3.61Å; Y246-Y331 HydrophobicContact CG-CD2 3.61Å; Y246-Y331 HydrophobicContact CG-CE1 4.09Å; Y246-Y331 AromaticContact CG-CE2 3.71Å; Y246-Y331 HydrophobicContact CG-CE2 3.71Å; Y246-Y331 AromaticContact CG-CG 3.72Å; Y246-Y331 HydrophobicContact CG-CG 3.72Å; Y246-Y331 AromaticContact CG-CZ 3.93Å; Y246-Y331 AromaticContact CZ-CD2 3.97Å
247	R	68	Low	62.2	Low	167 Å²	167	74.6 Å²	74.6	63%	0.63	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.6	-172.4	-171.6	-178.6	-69.1	150	-0.4	114.4	T243 E244	T243-R247 PolarHBondContact O-N 3.18Å; E244-R247 WeakPolarHBondContact O-CB 3.42Å; E244-R247 PolarHBondContact O-N 3.36Å; E244-R247 IonicContact OE1-CZ 3.78Å; E244-R247 IonicContact OE1-NH2 3.08Å; E244-R247 PolarHBondContact OE1-NH2 3.41Å
248	N	71.4	Confident	62.8	Low	154 Å²	154	79 Å²	79	82%	0.824	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	9.5	-178.7	-60.6	-19	0	0	0	113.2	Y246	Y246-N248 PolarHBondContact O-N 3.22Å
249	L	67.3	Low	63	Low	55 Å²	55	78.4 Å²	78.4	29%	0.288	39%	0.391	S	S	.	.			trans	-97.7	119.5	-178.3	-133.1	81.3	0	0	0	109.8	Y246 Q328 Y331 K332	Y246-L249 HydrophobicContact CD1-CD2 4.34Å; Y246-L249 WeakPolarHBondContact O-CB 3.33Å; Y246-L249 PolarHBondContact O-N 2.94Å; L249-Q328 HydrophobicContact CD1-CG 4.26Å; L249-Q328 HydrophobicContact CD2-CB 3.74Å; L249-Q328 HydrophobicContact CD2-CG 4.02Å; L249-Y331 HydrophobicContact CD2-CD1 4.23Å; L249-K332 HydrophobicContact CD2-CG 4.41Å
250	N	68.6	Low	63.2	Low	128 Å²	128	76.1 Å²	76.1	68%	0.684	38%	0.382	S	S	*	.			trans	-68	139.8	172.8	-74.8	-1.5	0	0	0	110.5	S252 K332	N250-S252 PolarHBondContact O-N 2.79Å; N250-K332 WeakPolarHBondContact O-CE 3.45Å
251	H	65.3	Low	63.6	Low	103 Å²	103	84.6 Å²	84.6	48%	0.477	42%	0.415	S	S	.	.			trans	-71.6	13.9	177.4	-62.5	-78.4	0	0	0	114.5	Y331 N336	H251-Y331 AromaticContact CE1-CZ 3.79Å; H251-Y331 PolarHBondContact CE1-OH 3.47Å; H251-Y331 AromaticContact ND1-CE1 3.9Å; H251-N336 PolarHBondContact O-ND2 3.01Å
252	S	66.8	Low	64.3	Low	63 Å²	63	86.7 Å²	86.7	44%	0.441	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-59.9	150.3	178	69.5	0	0	0	0	110.7	N250 K332	N250-S252 PolarHBondContact O-N 2.79Å; S252-K332 WeakPolarHBondContact O-CD 3.42Å
253	V	61.7	Low	65.1	Low	70 Å²	70	85.8 Å²	85.8	42%	0.424	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-47.4	141.9	176.6	-171.8	0	0	0	0	110.5
254	S	61	Low	66.1	Low	9 Å²	9	83.7 Å²	83.7	6%	0.063	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-58.4	138.5	180	-174.5	0	0	0	0	111.1	D256	S254-D256 VanDerWaalsContact C-N 3.29Å; S254-D256 PolarHBondContact OG-N 3.32Å
255	N	58.4	Low	66.9	Low	136 Å²	136	85.1 Å²	85.1	73%	0.727	42%	0.42	S	S	*	.			trans	-88.7	5.9	176.4	-75.5	-6.1	0	0	0	112.7	F257	N255-F257 PolarHBondContact O-N 3.34Å
256	D	62.9	Low	67.7	Low	16 Å²	16	88.5 Å²	88.5	9%	0.086	43%	0.431	C	S	.	.			trans	-76.9	71.8	-178.6	-171.4	2.2	0	0	0	111.5	S254 T258 S259 Q260	S254-D256 VanDerWaalsContact C-N 3.29Å; S254-D256 PolarHBondContact OG-N 3.32Å; D256-T258 VanDerWaalsContact C-N 3.25Å; D256-T258 PolarHBondContact O-N 2.74Å; D256-S259 VanDerWaalsContact OD1-CB 3.3Å; D256-S259 WeakPolarHBondContact OD1-CB 3.13Å; D256-S259 PolarHBondContact OD1-N 3.34Å; D256-S259 WeakPolarHBondContact OD2-CB 2.87Å; D256-Q260 PolarHBondContact O-N 3.17Å
257	F	59	Low	68.3	Low	130 Å²	130	90.4 Å²	90.4	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-57.2	-41.2	175.7	-103.3	-106.7	0	0	0	110.5	N255 S259 Q260 Y261	N255-F257 PolarHBondContact O-N 3.34Å; F257-S259 PolarHBondContact O-N 3.16Å; F257-Q260 PolarHBondContact O-N 3.02Å; F257-Y261 AromaticContact CD1-CE2 3.58Å; F257-Y261 HydrophobicContact CD1-CE2 3.58Å; F257-Y261 HydrophobicContact CE1-CE2 4.06Å; F257-Y261 HydrophobicContact CG-CE2 4.4Å; F257-Y261 WeakPolarHBondContact O-CD2 3.3Å; F257-Y261 PolarHBondContact O-N 2.93Å
258	T	60.2	Low	69	Low	110 Å²	110	83 Å²	83	68%	0.675	41%	0.413	S	S	*	.	H	α-helix	trans	-66.6	-43.1	-172.2	-28.8	0	0	0	0	112.6	D256	D256-T258 VanDerWaalsContact C-N 3.25Å; D256-T258 PolarHBondContact O-N 2.74Å
259	S	60.2	Low	69.7	Low	15 Å²	15	80 Å²	80	11%	0.105	39%	0.394	C	S	.	.	H	α-helix	trans	-70.8	-33.3	177.6	-175.1	0	0	0	0	112.5	D256 F257 Y261 M262 K267	D256-S259 VanDerWaalsContact OD1-CB 3.3Å; D256-S259 WeakPolarHBondContact OD1-CB 3.13Å; D256-S259 PolarHBondContact OD1-N 3.34Å; D256-S259 WeakPolarHBondContact OD2-CB 2.87Å; F257-S259 PolarHBondContact O-N 3.16Å; S259-Y261 PolarHBondContact O-N 2.83Å; S259-M262 PolarHBondContact O-N 3.38Å; S259-K267 WeakPolarHBondContact O-CE 3.28Å; S259-K267 PolarHBondContact O-NZ 3.39Å
260	Q	59.6	Low	70.4	Confident	85 Å²	85	79.1 Å²	79.1	40%	0.397	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-40.8	178.7	-88.3	177.8	-19.1	0	0	112.9	D256 F257 M262	D256-Q260 PolarHBondContact O-N 3.17Å; F257-Q260 PolarHBondContact O-N 3.02Å; Q260-M262 VanDerWaalsContact C-N 3.33Å; Q260-M262 PolarHBondContact O-N 3.24Å
261	Y	61.3	Low	71.1	Confident	177 Å²	177	73.7 Å²	73.7	69%	0.694	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	0.1	178.6	-62.8	-75.2	0	0	0	114.7	F257 S259	F257-Y261 AromaticContact CD1-CE2 3.58Å; F257-Y261 HydrophobicContact CD1-CE2 3.58Å; F257-Y261 HydrophobicContact CE1-CE2 4.06Å; F257-Y261 HydrophobicContact CG-CE2 4.4Å; F257-Y261 WeakPolarHBondContact O-CD2 3.3Å; F257-Y261 PolarHBondContact O-N 2.93Å; S259-Y261 PolarHBondContact O-N 2.83Å
262	M	71.5	Confident	71.9	Confident	59 Å²	59	71.2 Å²	71.2	29%	0.291	35%	0.349	S	S	.	.	S	Bend	trans	-69.5	133.4	171.9	-76.3	-165	159.2	0	0	110.8	S259 Q260 R266 K267	S259-M262 PolarHBondContact O-N 3.38Å; Q260-M262 VanDerWaalsContact C-N 3.33Å; Q260-M262 PolarHBondContact O-N 3.24Å; M262-R266 HydrophobicContact SD-CB 4.26Å; M262-K267 HydrophobicContact CB-CG 4.02Å; M262-K267 WeakPolarHBondContact O-CE 3.38Å
263	N	79.6	Confident	72.6	Confident	79 Å²	79	76.6 Å²	76.6	42%	0.422	36%	0.36	S	S	.	.			trans	-62.1	156.4	170.9	69.5	6.9	0	0	0	111.4	K265 R266 K267	N263-K265 PolarHBondContact O-N 3.28Å; N263-R266 PolarHBondContact O-N 3.41Å; N263-R266 VanDerWaalsContact O-N 3.17Å; N263-R266 VanDerWaalsContact OD1-CB 3.26Å; N263-R266 WeakPolarHBondContact OD1-CB 3.32Å; N263-R266 WeakPolarHBondContact OD1-CG 3.12Å; N263-R266 PolarHBondContact OD1-N 2.83Å; N263-K267 PolarHBondContact O-N 3.36Å
264	S	82.7	Confident	73.5	Confident	6 Å²	6	76.1 Å²	76.1	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-55.9	-39.2	-174.3	-167.5	0	0	0	0	112.5	R266 K267 A268 Y319 E346 V347	S264-R266 PolarHBondContact O-N 2.95Å; S264-K267 PolarHBondContact O-N 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å; S264-Y319 VanDerWaalsContact O-CE1 3.31Å; S264-Y319 WeakPolarHBondContact O-CE1 3.32Å; S264-Y319 VanDerWaalsContact OG-CE1 3.26Å; S264-Y319 WeakPolarHBondContact OG-CE1 3.49Å; S264-Y319 PolarHBondContact OG-OH 3.24Å; S264-E346 WeakPolarHBondContact CB-OE1 3.41Å; S264-E346 PolarHBondContact N-OE1 2.76Å; S264-V347 WeakPolarHBondContact OG-CG2 3.39Å
265	K	83.2	Confident	74.4	Confident	148 Å²	148	76.3 Å²	76.3	64%	0.643	35%	0.354	S	S	*	.	H	α-helix	trans	-60.1	-46.1	179.2	-169.4	176.9	179.4	177.6	0	113.1	N263 K267 A268 E269	N263-K265 PolarHBondContact O-N 3.28Å; K265-K267 VanDerWaalsContact C-N 3.33Å; K265-K267 PolarHBondContact O-N 3.03Å; K265-A268 PolarHBondContact O-N 3.34Å; K265-E269 WeakPolarHBondContact CE-OE1 3.31Å; K265-E269 WeakPolarHBondContact O-CG 3.1Å; K265-E269 PolarHBondContact O-N 2.91Å
266	R	83.1	Confident	74.9	Confident	146 Å²	146	75.2 Å²	75.2	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-66.9	-34.3	178.7	-77.7	178.7	177.1	-167.8	1.1	112.6	M262 N263 S264 E269 T270	M262-R266 HydrophobicContact SD-CB 4.26Å; N263-R266 PolarHBondContact O-N 3.41Å; N263-R266 VanDerWaalsContact O-N 3.17Å; N263-R266 VanDerWaalsContact OD1-CB 3.26Å; N263-R266 WeakPolarHBondContact OD1-CB 3.32Å; N263-R266 WeakPolarHBondContact OD1-CG 3.12Å; N263-R266 PolarHBondContact OD1-N 2.83Å; S264-R266 PolarHBondContact O-N 2.95Å; R266-E269 PolarHBondContact O-N 2.9Å; R266-T270 WeakPolarHBondContact O-CB 3.49Å; R266-T270 PolarHBondContact O-N 2.83Å; R266-T270 PolarHBondContact O-OG1 3.38Å
267	K	82.8	Confident	75.3	Confident	42 Å²	42	81.2 Å²	81.2	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-47.8	173.4	-71.2	180	179.1	166.2	0	110.8	S259 M262 N263 S264 K265 E269 T270 W271 Y319	S259-K267 WeakPolarHBondContact O-CE 3.28Å; S259-K267 PolarHBondContact O-NZ 3.39Å; M262-K267 HydrophobicContact CB-CG 4.02Å; M262-K267 WeakPolarHBondContact O-CE 3.38Å; N263-K267 PolarHBondContact O-N 3.36Å; S264-K267 PolarHBondContact O-N 3.47Å; K265-K267 VanDerWaalsContact C-N 3.33Å; K265-K267 PolarHBondContact O-N 3.03Å; K267-E269 VanDerWaalsContact C-N 3.35Å; K267-E269 PolarHBondContact O-N 3.45Å; K267-T270 PolarHBondContact O-N 3.32Å; K267-W271 VanDerWaalsContact O-CB 3.26Å; K267-W271 WeakPolarHBondContact O-CB 3.48Å; K267-W271 PolarHBondContact O-N 3.09Å; K267-Y319 HydrophobicContact CB-CD1 3.98Å; K267-Y319 HydrophobicContact CB-CD2 4.33Å; K267-Y319 HydrophobicContact CB-CE1 3.75Å; K267-Y319 HydrophobicContact CB-CE2 4.13Å; K267-Y319 HydrophobicContact CB-CG 4.27Å; K267-Y319 HydrophobicContact CD-CE2 3.97Å
268	A	83.3	Confident	75.8	Confident	11 Å²	11	76.9 Å²	76.9	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-42.9	176.2	0	0	0	0	0	112.5	S264 K265 K272 Y319	S264-A268 PolarHBondContact O-N 3.27Å; K265-A268 PolarHBondContact O-N 3.34Å; A268-K272 WeakPolarHBondContact O-CB 3.37Å; A268-K272 VanDerWaalsContact O-CG 3.31Å; A268-K272 WeakPolarHBondContact O-CG 3.32Å; A268-K272 PolarHBondContact O-N 3Å; A268-Y319 HydrophobicContact CB-CD1 3.89Å; A268-Y319 HydrophobicContact CB-CE1 4.45Å
269	E	84.6	Confident	76.1	Confident	91 Å²	91	72.9 Å²	72.9	43%	0.425	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-44.3	176.9	-72.7	170.2	-172.1	0	0	112.4	K265 R266 K267 R273	K265-E269 WeakPolarHBondContact CE-OE1 3.31Å; K265-E269 WeakPolarHBondContact O-CG 3.1Å; K265-E269 PolarHBondContact O-N 2.91Å; R266-E269 PolarHBondContact O-N 2.9Å; K267-E269 VanDerWaalsContact C-N 3.35Å; K267-E269 PolarHBondContact O-N 3.45Å; E269-R273 PolarHBondContact O-N 2.78Å; E269-R273 VanDerWaalsContact O-N 3.09Å
270	T	83.6	Confident	76.2	Confident	38 Å²	38	76.1 Å²	76.1	23%	0.233	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-44.3	179.1	-56.4	0	0	0	0	111	R266 K267 R273 N274	R266-T270 WeakPolarHBondContact O-CB 3.49Å; R266-T270 PolarHBondContact O-N 2.83Å; R266-T270 PolarHBondContact O-OG1 3.38Å; K267-T270 PolarHBondContact O-N 3.32Å; T270-R273 PolarHBondContact O-N 3.16Å; T270-N274 PolarHBondContact O-N 2.9Å
271	W	81.9	Confident	76.5	Confident	14 Å²	14	73.8 Å²	73.8	5%	0.053	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-55.4	174.7	177.1	-118.8	0	0	0	111.2	K267 R273 N274 R275 L278 D287 Y288 E314 P320 C323	K267-W271 VanDerWaalsContact O-CB 3.26Å; K267-W271 WeakPolarHBondContact O-CB 3.48Å; K267-W271 PolarHBondContact O-N 3.09Å; W271-R273 VanDerWaalsContact C-N 3.33Å; W271-R273 PolarHBondContact O-N 3.26Å; W271-N274 PolarHBondContact O-N 3.45Å; W271-N274 VanDerWaalsContact O-N 3.13Å; W271-R275 VanDerWaalsContact CZ2-CD 3.48Å; W271-R275 WeakPolarHBondContact O-CA 3.48Å; W271-R275 VanDerWaalsContact O-CB 3.26Å; W271-R275 WeakPolarHBondContact O-CB 3.49Å; W271-R275 PolarHBondContact O-N 3.32Å; W271-L278 HydrophobicContact CE3-CD1 4.37Å; W271-L278 HydrophobicContact CZ3-CD1 3.86Å; W271-D287 HydrophobicContact CH2-CB 4.39Å; W271-D287 WeakPolarHBondContact CH2-OD2 3.33Å; W271-Y288 WeakPolarHBondContact CZ2-OH 3.32Å; W271-E314 PolarHBondContact NE1-OE1 3.14Å; W271-P320 HydrophobicContact CD2-CG 4.43Å; W271-P320 HydrophobicContact CH2-CG 3.4Å; W271-P320 VanDerWaalsContact CH2-CG 3.4Å; W271-P320 HydrophobicContact CZ2-CG 3.25Å; W271-P320 HydrophobicContact CZ3-CG 4.08Å; W271-C323 HydrophobicContact CE3-CB 3.82Å; W271-C323 HydrophobicContact CZ3-CB 3.88Å
272	K	82.9	Confident	76.1	Confident	51 Å²	51	68.9 Å²	68.9	22%	0.222	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-41.5	-179.4	-75.3	170.7	-173.8	158.7	0	113.1	D182 A268 N274 R275	D182-K272 VanDerWaalsContact OD1-CE 3.31Å; D182-K272 WeakPolarHBondContact OD1-CE 3.4Å; D182-K272 IonicContact OD1-NZ 3.36Å; D182-K272 PolarHBondContact OD1-NZ 2.86Å; D182-K272 IonicContact OD2-NZ 2.73Å; A268-K272 WeakPolarHBondContact O-CB 3.37Å; A268-K272 VanDerWaalsContact O-CG 3.31Å; A268-K272 WeakPolarHBondContact O-CG 3.32Å; A268-K272 PolarHBondContact O-N 3Å; K272-N274 VanDerWaalsContact C-N 3.3Å; K272-N274 PolarHBondContact O-N 2.81Å; K272-R275 PolarHBondContact O-N 3.09Å
273	R	81.5	Confident	75.3	Confident	176 Å²	176	68.4 Å²	68.4	66%	0.664	32%	0.322	S	S	*	.	H	α-helix	trans	-60.2	-41	178.2	-173.4	179	-66.3	120.8	2.2	111.9	E269 T270 W271	E269-R273 PolarHBondContact O-N 2.78Å; E269-R273 VanDerWaalsContact O-N 3.09Å; T270-R273 PolarHBondContact O-N 3.16Å; W271-R273 VanDerWaalsContact C-N 3.33Å; W271-R273 PolarHBondContact O-N 3.26Å
274	N	81.3	Confident	74.7	Confident	60 Å²	60	64.7 Å²	64.7	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-90.4	-18.2	-175.7	-63.8	-18.9	0	0	0	112.9	T270 W271 K272 R276 Q277 L278	T270-N274 PolarHBondContact O-N 2.9Å; W271-N274 PolarHBondContact O-N 3.45Å; W271-N274 VanDerWaalsContact O-N 3.13Å; K272-N274 VanDerWaalsContact C-N 3.3Å; K272-N274 PolarHBondContact O-N 2.81Å; N274-R276 VanDerWaalsContact C-N 3.35Å; N274-R276 PolarHBondContact O-N 3.23Å; N274-Q277 PolarHBondContact O-N 3.06Å; N274-Q277 VanDerWaalsContact O-N 3.08Å; N274-L278 HydrophobicContact CB-CD1 4.37Å; N274-L278 WeakPolarHBondContact O-CG 3.32Å; N274-L278 PolarHBondContact O-N 3.35Å
275	R	77.9	Confident	74.2	Confident	13 Å²	13	65 Å²	65	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-56	-43.2	-170.6	-171.7	62.4	178.4	172.1	-2.5	113.7	M175 W271 K272 L278 A279 Y288	M175-R275 HydrophobicContact CE-CB 4.42Å; M175-R275 HydrophobicContact CE-CG 3.61Å; M175-R275 HydrophobicContact CG-CG 4.28Å; M175-R275 HydrophobicContact SD-CG 3.81Å; W271-R275 VanDerWaalsContact CZ2-CD 3.48Å; W271-R275 WeakPolarHBondContact O-CA 3.48Å; W271-R275 VanDerWaalsContact O-CB 3.26Å; W271-R275 WeakPolarHBondContact O-CB 3.49Å; W271-R275 PolarHBondContact O-N 3.32Å; K272-R275 PolarHBondContact O-N 3.09Å; R275-L278 PolarHBondContact O-N 3.2Å; R275-A279 PolarHBondContact O-N 3.36Å; R275-Y288 PolarHBondContact NH1-OH 2.88Å; R275-Y288 PolarHBondContact NH2-OH 3.08Å
276	R	70.9	Confident	74.3	Confident	112 Å²	112	58 Å²	58	42%	0.423	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-46.8	177.3	-66.7	-177.1	-176.6	-132	-8.1	111.6	M175 M179 N274 L278 A279 F280 D411	M175-R276 HydrophobicContact CE-CG 4.44Å; M179-R276 HydrophobicContact CE-CG 4.25Å; M179-R276 VanDerWaalsContact CE-NH2 3.27Å; M179-R276 HydrophobicContact SD-CG 3.81Å; N274-R276 VanDerWaalsContact C-N 3.35Å; N274-R276 PolarHBondContact O-N 3.23Å; R276-L278 VanDerWaalsContact C-N 3.29Å; R276-L278 PolarHBondContact O-N 3.11Å; R276-A279 PolarHBondContact O-N 3.43Å; R276-F280 HydrophobicContact CB-CE2 4.2Å; R276-F280 WeakPolarHBondContact O-CD2 3.36Å; R276-F280 VanDerWaalsContact O-CE2 3.23Å; R276-F280 WeakPolarHBondContact O-CE2 3.45Å; R276-F280 PolarHBondContact O-N 2.97Å; R276-D411 VanDerWaalsContact CZ-CG 3.47Å; R276-D411 IonicContact CZ-OD1 3.72Å; R276-D411 IonicContact CZ-OD2 3.74Å; R276-D411 VanDerWaalsContact CZ-OD2 3.27Å; R276-D411 IonicContact NE-OD2 3.05Å; R276-D411 IonicContact NH1-OD1 3.76Å; R276-D411 PolarHBondContact NH1-OD1 3.16Å; R276-D411 IonicContact NH1-OD2 2.66Å; R276-D411 PolarHBondContact NH1-OD2 3.4Å; R276-D411 VanDerWaalsContact NH1-OD2 3.14Å; R276-D411 IonicContact NH2-OD1 2.8Å; R276-D411 PolarHBondContact NH2-OD1 2.93Å; R276-D411 IonicContact NH2-OD2 3.09Å
277	Q	71.4	Confident	74.6	Confident	142 Å²	142	51 Å²	51	66%	0.664	25%	0.248	S	C	*	.	H	α-helix	trans	-64.1	-36	178.6	-64.4	-177.9	-2.5	0	0	111.9	N274 F280 S281	N274-Q277 PolarHBondContact O-N 3.06Å; N274-Q277 VanDerWaalsContact O-N 3.08Å; Q277-F280 PolarHBondContact O-N 3.49Å; Q277-S281 WeakPolarHBondContact O-CB 3.41Å; Q277-S281 PolarHBondContact O-N 3.34Å
278	L	69.5	Low	75.1	Confident	40 Å²	40	49.7 Å²	49.7	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-35.6	176.7	-70.7	172.1	0	0	0	113.2	K238 W271 N274 R275 R276 S281 T285	K238-L278 PolarHBondContact NZ-O 3.37Å; W271-L278 HydrophobicContact CE3-CD1 4.37Å; W271-L278 HydrophobicContact CZ3-CD1 3.86Å; N274-L278 HydrophobicContact CB-CD1 4.37Å; N274-L278 WeakPolarHBondContact O-CG 3.32Å; N274-L278 PolarHBondContact O-N 3.35Å; R275-L278 PolarHBondContact O-N 3.2Å; R276-L278 VanDerWaalsContact C-N 3.29Å; R276-L278 PolarHBondContact O-N 3.11Å; L278-S281 PolarHBondContact O-N 3.23Å; L278-T285 HydrophobicContact CD1-CG2 4.4Å; L278-T285 HydrophobicContact CD2-CG2 3.57Å
279	A	65.3	Low	75.4	Confident	25 Å²	25	49.7 Å²	49.7	21%	0.207	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-46	174.5	0	0	0	0	0	111.3	M175 K238 R275 R276 S281	M175-A279 HydrophobicContact CE-CB 3.87Å; M175-A279 HydrophobicContact SD-CB 4.1Å; K238-A279 PolarHBondContact NZ-O 3.15Å; R275-A279 PolarHBondContact O-N 3.36Å; R276-A279 PolarHBondContact O-N 3.43Å; A279-S281 PolarHBondContact O-N 2.8Å
280	F	63.3	Low	75.7	Confident	83 Å²	83	45.4 Å²	45.4	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-80.2	-11.5	-179.6	-51.8	-51.9	0	0	0	114.6	R97 R276 Q277 F413	R97-F280 HydrophobicContact CB-CD1 4.18Å; R97-F280 HydrophobicContact CB-CE1 4.3Å; R97-F280 VanDerWaalsContact O-CD1 3.26Å; R97-F280 WeakPolarHBondContact O-CD1 3.45Å; R276-F280 HydrophobicContact CB-CE2 4.2Å; R276-F280 WeakPolarHBondContact O-CD2 3.36Å; R276-F280 VanDerWaalsContact O-CE2 3.23Å; R276-F280 WeakPolarHBondContact O-CE2 3.45Å; R276-F280 PolarHBondContact O-N 2.97Å; Q277-F280 PolarHBondContact O-N 3.49Å; F280-F413 AromaticContact CE1-CE1 3.51Å; F280-F413 HydrophobicContact CE1-CE1 3.51Å; F280-F413 AromaticContact CE1-CZ 3.8Å; F280-F413 HydrophobicContact CE1-CZ 3.8Å; F280-F413 HydrophobicContact CE2-CE1 4.16Å; F280-F413 AromaticContact CZ-CE1 3.32Å; F280-F413 HydrophobicContact CZ-CE1 3.32Å; F280-F413 AromaticContact CZ-CZ 3.59Å; F280-F413 HydrophobicContact CZ-CZ 3.59Å
281	S	64.2	Low	76.1	Confident	37 Å²	37	44.1 Å²	44.1	26%	0.259	21%	0.213	S	C	.	.			trans	-70.4	134	-177.7	178.4	0	0	0	0	112.3	K238 Q277 L278 A279 V283 G284	K238-S281 WeakPolarHBondContact CE-O 3.45Å; Q277-S281 WeakPolarHBondContact O-CB 3.41Å; Q277-S281 PolarHBondContact O-N 3.34Å; L278-S281 PolarHBondContact O-N 3.23Å; A279-S281 PolarHBondContact O-N 2.8Å; S281-V283 VanDerWaalsContact C-N 3.27Å; S281-V283 PolarHBondContact OG-N 3Å; S281-V283 VanDerWaalsContact OG-N 3.17Å; S281-G284 PolarHBondContact OG-N 3.09Å
282	T	53.1	Low	76.5	Confident	74 Å²	74	44.5 Å²	44.5	45%	0.454	22%	0.215	S	C	.	.	S	Bend	trans	-72.4	-21.9	171.5	58.4	0	0	0	0	112.8	A99 K239	A99-T282 HydrophobicContact CB-CG2 4.01Å; K239-T282 PolarHBondContact N-O 3.02Å
283	V	55.4	Low	76.7	Confident	48 Å²	48	43.6 Å²	43.6	29%	0.291	21%	0.213	S	C	.	.	S	Bend	trans	-80.7	-43	176.6	-179.3	0	0	0	0	109.8	K238 K239 A240 F245 S281 P327	K238-V283 WeakPolarHBondContact CB-O 3.43Å; K239-V283 PolarHBondContact N-O 3.21Å; A240-V283 HydrophobicContact CB-CG1 4.2Å; A240-V283 WeakPolarHBondContact CB-O 3.26Å; A240-V283 PolarHBondContact N-O 2.96Å; F245-V283 HydrophobicContact CZ-CG1 4.33Å; S281-V283 VanDerWaalsContact C-N 3.27Å; S281-V283 PolarHBondContact OG-N 3Å; S281-V283 VanDerWaalsContact OG-N 3.17Å; V283-P327 HydrophobicContact CG1-CG 4.44Å
284	G	67.9	Low	76.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	18%	0.183	C	C	.	.			trans	65.7	-173.2	-177.4	0	0	0	0	0	114.3	A240 S281	A240-G284 WeakPolarHBondContact CB-O 3.44Å; S281-G284 PolarHBondContact OG-N 3.09Å
285	T	71.3	Confident	76.7	Confident	13 Å²	13	37.3 Å²	37.3	8%	0.08	19%	0.191	C	C	.	.			trans	-131.6	146.7	170.7	42.6	0	0	0	0	110.2	H241 L278 D287 P327	H241-T285 PolarHBondContact NE2-O 3.03Å; L278-T285 HydrophobicContact CD1-CG2 4.4Å; L278-T285 HydrophobicContact CD2-CG2 3.57Å; T285-D287 WeakPolarHBondContact CB-OD2 3.49Å; T285-D287 PolarHBondContact O-N 2.91Å; T285-D287 PolarHBondContact OG1-OD2 2.66Å; T285-P327 HydrophobicContact CG2-CB 4.5Å; T285-P327 HydrophobicContact CG2-CG 4.07Å
286	P	84.5	Confident	76.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.			trans	-84.4	23.3	-177.3	35.2	-36.4	0	0	0	113.6	Y246 Y288 I289 F294 T330	Y246-P286 WeakPolarHBondContact OH-CG 3.39Å; P286-Y288 PolarHBondContact O-N 3.07Å; P286-Y288 VanDerWaalsContact O-N 3.11Å; P286-I289 HydrophobicContact CB-CB 4.44Å; P286-I289 HydrophobicContact CB-CD1 4.18Å; P286-I289 HydrophobicContact CB-CG1 4.48Å; P286-I289 PolarHBondContact O-N 3.27Å; P286-F294 HydrophobicContact CB-CE1 4.44Å; P286-F294 HydrophobicContact CB-CE2 4.27Å; P286-F294 HydrophobicContact CB-CZ 3.55Å; P286-T330 HydrophobicContact CG-CG2 3.7Å
287	D	89.6	Confident	76.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.4	-167.4	-59.8	-68.7	0	0	0	113.9	W271 T285 V310 P320 C323 T330	W271-D287 HydrophobicContact CH2-CB 4.39Å; W271-D287 WeakPolarHBondContact CH2-OD2 3.33Å; T285-D287 WeakPolarHBondContact CB-OD2 3.49Å; T285-D287 PolarHBondContact O-N 2.91Å; T285-D287 PolarHBondContact OG1-OD2 2.66Å; D287-V310 VanDerWaalsContact O-CG1 3.31Å; D287-V310 WeakPolarHBondContact O-CG1 3.39Å; D287-P320 HydrophobicContact CB-CB 4.25Å; D287-P320 HydrophobicContact CB-CG 3.94Å; D287-C323 WeakPolarHBondContact OD1-CA 3.16Å; D287-T330 HydrophobicContact CB-CG2 4.42Å; D287-T330 WeakPolarHBondContact OD1-CG2 3.34Å
288	Y	92.9	Very high	76.3	Confident	14 Å²	14	41.2 Å²	41.2	6%	0.055	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.5	-177.9	-50.3	-85.3	0	0	0	113.7	I213 K214 P215 W271 R275 P286 S307 V310 I311 E314 P320	I213-Y288 WeakPolarHBondContact O-CB 3.24Å; K214-Y288 HydrophobicContact CB-CD1 4.33Å; K214-Y288 HydrophobicContact CB-CD2 3.64Å; K214-Y288 HydrophobicContact CB-CE2 3.96Å; K214-Y288 HydrophobicContact CB-CG 3.87Å; P215-Y288 HydrophobicContact CG-CE1 4.18Å; W271-Y288 WeakPolarHBondContact CZ2-OH 3.32Å; R275-Y288 PolarHBondContact NH1-OH 2.88Å; R275-Y288 PolarHBondContact NH2-OH 3.08Å; P286-Y288 PolarHBondContact O-N 3.07Å; P286-Y288 VanDerWaalsContact O-N 3.11Å; Y288-S307 WeakPolarHBondContact O-CA 3.3Å; Y288-S307 WeakPolarHBondContact O-CB 3.13Å; Y288-S307 PolarHBondContact O-OG 3.31Å; Y288-V310 HydrophobicContact CD1-CB 3.94Å; Y288-V310 HydrophobicContact CD1-CG1 3.36Å; Y288-V310 HydrophobicContact CE1-CG1 3.68Å; Y288-V310 HydrophobicContact CG-CG1 4.15Å; Y288-I311 HydrophobicContact CD1-CG1 3.93Å; Y288-I311 HydrophobicContact CE1-CG1 4.01Å; Y288-E314 WeakPolarHBondContact CE1-OE2 3.46Å; Y288-E314 PolarHBondContact OH-OE1 3.05Å; Y288-E314 PolarHBondContact OH-OE2 2.99Å; Y288-P320 HydrophobicContact CE1-CB 4.37Å
289	I	90.3	Very high	76.9	Confident	12 Å²	12	43 Å²	43	6%	0.062	24%	0.239	C	C	.	.			trans	-86.5	129.7	-174.1	-60	-175.3	0	0	0	109.9	H241 P286 V293 F294 W306 V334	H241-I289 HydrophobicContact CB-CD1 3.56Å; H241-I289 WeakPolarHBondContact CD2-CD1 3.24Å; P286-I289 HydrophobicContact CB-CB 4.44Å; P286-I289 HydrophobicContact CB-CD1 4.18Å; P286-I289 HydrophobicContact CB-CG1 4.48Å; P286-I289 PolarHBondContact O-N 3.27Å; I289-V293 HydrophobicContact CG2-CB 3.6Å; I289-V293 HydrophobicContact CG2-CG1 3.77Å; I289-V293 HydrophobicContact CG2-CG2 4.06Å; I289-F294 HydrophobicContact CB-CE2 3.79Å; I289-F294 HydrophobicContact CB-CZ 3.73Å; I289-F294 HydrophobicContact CD1-CE1 4.5Å; I289-F294 HydrophobicContact CD1-CZ 3.96Å; I289-F294 HydrophobicContact CG1-CZ 4.42Å; I289-F294 HydrophobicContact CG2-CD2 4.15Å; I289-F294 HydrophobicContact CG2-CE1 4.23Å; I289-F294 HydrophobicContact CG2-CE2 3.39Å; I289-F294 HydrophobicContact CG2-CZ 3.43Å; I289-F294 VanDerWaalsContact CG2-CZ 3.43Å; I289-W306 PolarHBondContact O-NE1 3.25Å; I289-V334 WeakPolarHBondContact O-CG1 3.26Å
290	A	91.6	Very high	77.9	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.008	25%	0.247	C	C	.	.			trans	-65.5	143.5	175.9	0	0	0	0	0	111.6	E292 V293 C303 W306	A290-E292 VanDerWaalsContact C-N 3.25Å; A290-E292 VanDerWaalsContact CB-CD 3.48Å; A290-E292 VanDerWaalsContact CB-OE1 3.3Å; A290-E292 WeakPolarHBondContact CB-OE1 3.21Å; A290-E292 WeakPolarHBondContact CB-OE2 3.28Å; A290-E292 PolarHBondContact O-N 2.85Å; A290-V293 HydrophobicContact CB-CG2 4.17Å; A290-V293 WeakPolarHBondContact O-CB 3.43Å; A290-V293 PolarHBondContact O-N 3.27Å; A290-C303 HydrophobicContact CB-CB 3.99Å; A290-W306 VanDerWaalsContact CA-CD1 3.45Å; A290-W306 HydrophobicContact CB-CB 3.65Å; A290-W306 HydrophobicContact CB-CD2 4.13Å; A290-W306 HydrophobicContact CB-CG 3.59Å
291	P	92.4	Very high	79.2	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.071	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.6	-37.9	-175.5	22.2	-33	0	0	0	112.5	V293 F294 W306 V334 M335	P291-V293 PolarHBondContact O-N 3.41Å; P291-F294 PolarHBondContact O-N 3.03Å; P291-F294 VanDerWaalsContact O-N 3.16Å; P291-W306 HydrophobicContact CG-CE3 4.43Å; P291-W306 HydrophobicContact CG-CH2 4.01Å; P291-W306 HydrophobicContact CG-CZ2 4.37Å; P291-W306 HydrophobicContact CG-CZ3 4.02Å; P291-V334 HydrophobicContact CB-CG1 4.18Å; P291-M335 WeakPolarHBondContact O-CE 3.46Å
292	E	89.8	Confident	80.6	Confident	21 Å²	21	44 Å²	44	10%	0.098	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-65.3	-21.3	-179.9	68.4	-85.9	-167.1	0	0	114.3	A290 F294 M295 R367	A290-E292 VanDerWaalsContact C-N 3.25Å; A290-E292 VanDerWaalsContact CB-CD 3.48Å; A290-E292 VanDerWaalsContact CB-OE1 3.3Å; A290-E292 WeakPolarHBondContact CB-OE1 3.21Å; A290-E292 WeakPolarHBondContact CB-OE2 3.28Å; A290-E292 PolarHBondContact O-N 2.85Å; E292-F294 PolarHBondContact O-N 2.83Å; E292-M295 HydrophobicContact CB-SD 4.43Å; E292-M295 PolarHBondContact O-N 3.39Å; E292-R367 IonicContact OE1-CZ 3.76Å; E292-R367 IonicContact OE1-NH1 2.69Å; E292-R367 PolarHBondContact OE1-NH1 3.12Å; E292-R367 IonicContact OE1-NH2 3.72Å; E292-R367 PolarHBondContact OE1-NH2 3.43Å; E292-R367 VanDerWaalsContact OE1-NH2 3.09Å; E292-R367 IonicContact OE2-CZ 4Å; E292-R367 IonicContact OE2-NH1 4Å; E292-R367 IonicContact OE2-NH2 2.62Å; E292-R367 PolarHBondContact OE2-NH2 3.03Å
293	V	86.3	Confident	82.5	Confident	32 Å²	32	40.6 Å²	40.6	19%	0.194	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-65.2	-29.5	176.7	175.9	0	0	0	0	110.9	I289 A290 P291 Y299 C303	I289-V293 HydrophobicContact CG2-CB 3.6Å; I289-V293 HydrophobicContact CG2-CG1 3.77Å; I289-V293 HydrophobicContact CG2-CG2 4.06Å; A290-V293 HydrophobicContact CB-CG2 4.17Å; A290-V293 WeakPolarHBondContact O-CB 3.43Å; A290-V293 PolarHBondContact O-N 3.27Å; P291-V293 PolarHBondContact O-N 3.41Å; V293-Y299 HydrophobicContact CG1-CE1 4.41Å; V293-Y299 HydrophobicContact CG2-CD1 4.39Å; V293-Y299 HydrophobicContact CG2-CD2 4.24Å; V293-Y299 HydrophobicContact CG2-CG 4.08Å; V293-C303 HydrophobicContact CG2-CB 3.89Å
294	F	82.3	Confident	84.4	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.026	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-86.4	-12.9	174.9	-58.1	-69	0	0	0	112.9	T243 Y246 P286 I289 P291 E292 Y331 V334 M335	T243-F294 WeakPolarHBondContact CG2-O 3.49Å; T243-F294 PolarHBondContact OG1-O 3.25Å; Y246-F294 HydrophobicContact CD2-CD1 4.14Å; Y246-F294 HydrophobicContact CD2-CE1 4.18Å; Y246-F294 HydrophobicContact CE2-CD1 4.14Å; Y246-F294 AromaticContact CE2-CE1 3.7Å; Y246-F294 HydrophobicContact CE2-CE1 3.7Å; Y246-F294 HydrophobicContact CE2-CZ 4.43Å; P286-F294 HydrophobicContact CB-CE1 4.44Å; P286-F294 HydrophobicContact CB-CE2 4.27Å; P286-F294 HydrophobicContact CB-CZ 3.55Å; I289-F294 HydrophobicContact CB-CE2 3.79Å; I289-F294 HydrophobicContact CB-CZ 3.73Å; I289-F294 HydrophobicContact CD1-CE1 4.5Å; I289-F294 HydrophobicContact CD1-CZ 3.96Å; I289-F294 HydrophobicContact CG1-CZ 4.42Å; I289-F294 HydrophobicContact CG2-CD2 4.15Å; I289-F294 HydrophobicContact CG2-CE1 4.23Å; I289-F294 HydrophobicContact CG2-CE2 3.39Å; I289-F294 HydrophobicContact CG2-CZ 3.43Å; I289-F294 VanDerWaalsContact CG2-CZ 3.43Å; P291-F294 PolarHBondContact O-N 3.03Å; P291-F294 VanDerWaalsContact O-N 3.16Å; E292-F294 PolarHBondContact O-N 2.83Å; F294-Y331 HydrophobicContact CB-CE2 3.89Å; F294-Y331 HydrophobicContact CD1-CD2 4.21Å; F294-Y331 AromaticContact CD1-CE2 3.96Å; F294-Y331 HydrophobicContact CD1-CE2 3.96Å; F294-Y331 HydrophobicContact CD2-CD2 4.14Å; F294-Y331 HydrophobicContact CD2-CE2 4.03Å; F294-Y331 HydrophobicContact CE1-CD2 4.35Å; F294-Y331 HydrophobicContact CE2-CD2 4.26Å; F294-Y331 HydrophobicContact CG-CD2 4.11Å; F294-Y331 AromaticContact CG-CE2 3.68Å; F294-Y331 HydrophobicContact CG-CE2 3.68Å; F294-Y331 HydrophobicContact CZ-CD2 4.37Å; F294-V334 HydrophobicContact CE2-CG1 4.37Å; F294-M335 HydrophobicContact CB-CE 3.29Å; F294-M335 HydrophobicContact CD2-CE 3.72Å; F294-M335 HydrophobicContact CG-CE 3.86Å
295	M	80.1	Confident	85.8	Confident	98 Å²	98	38.5 Å²	38.5	48%	0.483	20%	0.204	S	C	.	.	S	Bend	trans	-82	143.7	-179.8	-60.3	177.6	85.5	0	0	109.9	E292 T297	E292-M295 HydrophobicContact CB-SD 4.43Å; E292-M295 PolarHBondContact O-N 3.39Å; M295-T297 WeakPolarHBondContact CB-OG1 3.45Å; M295-T297 PolarHBondContact O-N 3.24Å
296	Q	69.7	Low	87	Confident	189 Å²	189	37.9 Å²	37.9	88%	0.883	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	2.6	177.4	-66	-176.5	-8.1	0	0	113.2	G298	Q296-G298 PolarHBondContact O-N 3.29Å
297	T	72.9	Confident	87.6	Confident	115 Å²	115	38.1 Å²	38.1	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.5	-179.3	50.8	0	0	0	0	113.4	M295	M295-T297 WeakPolarHBondContact CB-OG1 3.45Å; M295-T297 PolarHBondContact O-N 3.24Å
298	G	69.9	Low	88	Confident	46 Å²	46	38.1 Å²	38.1	47%	0.474	20%	0.202	S	C	.	.			trans	82.2	163.7	-172.1	0	0	0	0	0	112.2	Q296	Q296-G298 PolarHBondContact O-N 3.29Å
299	Y	81.8	Confident	88.3	Confident	77 Å²	77	37.5 Å²	37.5	30%	0.302	20%	0.199	S	C	.	.			trans	-140.4	164.9	179.7	63.6	-88.2	0	0	0	109.9	R211 V293 C303	R211-Y299 WeakPolarHBondContact CD-OH 3.39Å; R211-Y299 HydrophobicContact CG-CE2 4.27Å; R211-Y299 PolarHBondContact NE-OH 3.25Å; R211-Y299 PolarHBondContact NH1-OH 3.42Å; V293-Y299 HydrophobicContact CG1-CE1 4.41Å; V293-Y299 HydrophobicContact CG2-CD1 4.39Å; V293-Y299 HydrophobicContact CG2-CD2 4.24Å; V293-Y299 HydrophobicContact CG2-CG 4.08Å; Y299-C303 HydrophobicContact CD2-CB 4.46Å
300	N	87.6	Confident	88.6	Confident	70 Å²	70	36.9 Å²	36.9	37%	0.374	20%	0.196	S	C	.	.			trans	-128.9	-171.4	-177.5	65.3	29.9	0	0	0	110.7	L302 C303	N300-L302 PolarHBondContact O-N 3.21Å; N300-L302 WeakPolarHBondContact OD1-CB 3.5Å; N300-L302 WeakPolarHBondContact OD1-CG 3.29Å; N300-L302 PolarHBondContact OD1-N 3.1Å; N300-C303 PolarHBondContact O-N 2.8Å; N300-C303 PolarHBondContact O-SG 3.28Å
301	K	89.8	Confident	89	Confident	86 Å²	86	37 Å²	37	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.7	-178	70.8	179.6	-175.8	168.2	0	114.6	H204 I209 C303 D304	H204-K301 HydrophobicContact CB-CD 4.14Å; H204-K301 PolarHBondContact CE1-O 3.27Å; I209-K301 HydrophobicContact CD1-CB 4.05Å; I209-K301 HydrophobicContact CG1-CB 3.83Å; K301-C303 PolarHBondContact O-N 2.85Å; K301-D304 PolarHBondContact O-N 3.33Å
302	L	93.9	Very high	89.3	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.8	-179.1	-52.5	177.7	0	0	0	112.7	N300 D304 W305 W306 G364 R367 A370	N300-L302 PolarHBondContact O-N 3.21Å; N300-L302 WeakPolarHBondContact OD1-CB 3.5Å; N300-L302 WeakPolarHBondContact OD1-CG 3.29Å; N300-L302 PolarHBondContact OD1-N 3.1Å; L302-D304 PolarHBondContact O-N 3.32Å; L302-W305 WeakPolarHBondContact O-CB 3.46Å; L302-W305 PolarHBondContact O-N 2.8Å; L302-W305 VanDerWaalsContact O-N 3.1Å; L302-W306 PolarHBondContact O-N 3.38Å; L302-G364 VanDerWaalsContact CD1-O 3.26Å; L302-G364 WeakPolarHBondContact CD1-O 3.35Å; L302-R367 WeakPolarHBondContact O-CD 3.46Å; L302-R367 PolarHBondContact O-NH1 2.84Å; L302-A370 HydrophobicContact CD1-CB 3.77Å; L302-A370 HydrophobicContact CD2-CB 4.48Å
303	C	92.7	Very high	89.7	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.02	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-33	173.7	65.9	0	0	0	0	112.1	A290 V293 Y299 N300 K301 W305 W306 S307	A290-C303 HydrophobicContact CB-CB 3.99Å; V293-C303 HydrophobicContact CG2-CB 3.89Å; Y299-C303 HydrophobicContact CD2-CB 4.46Å; N300-C303 PolarHBondContact O-N 2.8Å; N300-C303 PolarHBondContact O-SG 3.28Å; K301-C303 PolarHBondContact O-N 2.85Å; C303-W305 VanDerWaalsContact C-N 3.29Å; C303-W305 PolarHBondContact O-N 3.44Å; C303-W306 WeakPolarHBondContact O-CB 3.47Å; C303-W306 PolarHBondContact O-N 3.14Å; C303-S307 PolarHBondContact O-N 3.02Å; C303-S307 PolarHBondContact O-OG 3.25Å
304	D	94.4	Very high	90.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.5	-30.1	179	-64.9	-19.3	0	0	0	111.6	I200 H204 I209 H210 R211 I213 K301 L302 S307 L308	I200-D304 HydrophobicContact CG2-CB 3.87Å; H204-D304 IonicContact CD2-OD2 2.66Å; H204-D304 IonicContact CE1-OD2 3.69Å; H204-D304 IonicContact NE2-OD2 3.57Å; H204-D304 PolarHBondContact NE2-OD2 2.64Å; I209-D304 WeakPolarHBondContact CG2-OD2 2.96Å; H210-D304 PolarHBondContact N-OD2 2.82Å; R211-D304 WeakPolarHBondContact CA-OD1 3.11Å; R211-D304 PolarHBondContact N-OD1 3.37Å; I213-D304 HydrophobicContact CG1-CB 4.08Å; K301-D304 PolarHBondContact O-N 3.33Å; L302-D304 PolarHBondContact O-N 3.32Å; D304-S307 WeakPolarHBondContact O-CB 3.48Å; D304-S307 PolarHBondContact O-N 3.02Å; D304-L308 PolarHBondContact O-N 2.85Å
305	W	97.5	Very high	90.9	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-71.4	-32.9	175.5	-59.2	138.6	0	0	0	113.1	V197 I200 D201 L302 C303 L308 G309 F360 R367 I376	V197-W305 HydrophobicContact CB-CZ3 4.4Å; V197-W305 HydrophobicContact CG1-CH2 4.23Å; V197-W305 HydrophobicContact CG1-CZ3 4.34Å; V197-W305 HydrophobicContact CG2-CZ3 4.28Å; I200-W305 HydrophobicContact CB-CE3 4.41Å; I200-W305 HydrophobicContact CB-CH2 3.6Å; I200-W305 HydrophobicContact CB-CZ2 4.5Å; I200-W305 HydrophobicContact CB-CZ3 3.55Å; I200-W305 HydrophobicContact CD1-CE3 4.17Å; I200-W305 HydrophobicContact CD1-CZ3 3.89Å; I200-W305 HydrophobicContact CG1-CZ3 4.31Å; I200-W305 HydrophobicContact CG2-CD2 4.37Å; I200-W305 HydrophobicContact CG2-CE3 3.98Å; I200-W305 HydrophobicContact CG2-CH2 3.41Å; I200-W305 VanDerWaalsContact CG2-CH2 3.41Å; I200-W305 HydrophobicContact CG2-CZ2 3.85Å; I200-W305 HydrophobicContact CG2-CZ3 3.48Å; I200-W305 VanDerWaalsContact CG2-CZ3 3.48Å; D201-W305 HydrophobicContact CB-CH2 4.31Å; L302-W305 WeakPolarHBondContact O-CB 3.46Å; L302-W305 PolarHBondContact O-N 2.8Å; L302-W305 VanDerWaalsContact O-N 3.1Å; C303-W305 VanDerWaalsContact C-N 3.29Å; C303-W305 PolarHBondContact O-N 3.44Å; W305-L308 HydrophobicContact CE3-CD2 3.99Å; W305-L308 HydrophobicContact CZ3-CD2 4.05Å; W305-L308 PolarHBondContact O-N 3.32Å; W305-G309 PolarHBondContact O-N 3.42Å; W305-G309 VanDerWaalsContact O-N 3.09Å; W305-F360 HydrophobicContact CB-CD1 4.05Å; W305-F360 HydrophobicContact CB-CE1 4.33Å; W305-F360 VanDerWaalsContact O-CD1 3.3Å; W305-F360 WeakPolarHBondContact O-CD1 3.43Å; W305-R367 HydrophobicContact CB-CG 4.47Å; W305-I376 HydrophobicContact CD2-CD1 3.65Å; W305-I376 HydrophobicContact CE3-CD1 3.86Å; W305-I376 HydrophobicContact CG-CD1 4.21Å; W305-I376 HydrophobicContact CH2-CD1 4.04Å; W305-I376 HydrophobicContact CZ2-CD1 3.83Å; W305-I376 HydrophobicContact CZ3-CD1 4.05Å
306	W	97.4	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-50.4	169.8	174.4	-80.4	0	0	0	110.3	I289 A290 P291 L302 C303 L308 G309 V310 F322 W337 C361 C362	I289-W306 PolarHBondContact O-NE1 3.25Å; A290-W306 VanDerWaalsContact CA-CD1 3.45Å; A290-W306 HydrophobicContact CB-CB 3.65Å; A290-W306 HydrophobicContact CB-CD2 4.13Å; A290-W306 HydrophobicContact CB-CG 3.59Å; P291-W306 HydrophobicContact CG-CE3 4.43Å; P291-W306 HydrophobicContact CG-CH2 4.01Å; P291-W306 HydrophobicContact CG-CZ2 4.37Å; P291-W306 HydrophobicContact CG-CZ3 4.02Å; L302-W306 PolarHBondContact O-N 3.38Å; C303-W306 WeakPolarHBondContact O-CB 3.47Å; C303-W306 PolarHBondContact O-N 3.14Å; W306-L308 PolarHBondContact O-N 3.44Å; W306-G309 WeakPolarHBondContact O-CA 3.42Å; W306-G309 PolarHBondContact O-N 2.96Å; W306-V310 WeakPolarHBondContact O-CG2 3.4Å; W306-V310 PolarHBondContact O-N 3.38Å; W306-F322 HydrophobicContact CH2-CE2 4.43Å; W306-F322 HydrophobicContact CH2-CZ 4.24Å; W306-F322 AromaticContact CZ2-CE2 3.52Å; W306-F322 HydrophobicContact CZ2-CE2 3.52Å; W306-F322 AromaticContact CZ2-CZ 3.76Å; W306-F322 HydrophobicContact CZ2-CZ 3.76Å; W306-W337 HydrophobicContact CH2-CB 3.77Å; W306-W337 AromaticContact CH2-CD1 3.82Å; W306-W337 AromaticContact CH2-CD2 3.98Å; W306-W337 HydrophobicContact CH2-CD2 3.98Å; W306-W337 AromaticContact CH2-CG 3.57Å; W306-W337 HydrophobicContact CH2-CG 3.57Å; W306-W337 HydrophobicContact CZ2-CB 4.35Å; W306-W337 HydrophobicContact CZ3-CD2 4.31Å; W306-W337 HydrophobicContact CZ3-CG 4.31Å; W306-C361 VanDerWaalsContact CE3-CA 3.49Å; W306-C361 HydrophobicContact CE3-CB 4.2Å; W306-C361 HydrophobicContact CH2-CB 4.2Å; W306-C361 VanDerWaalsContact CZ3-CA 3.49Å; W306-C361 HydrophobicContact CZ3-CB 4.03Å; W306-C362 WeakPolarHBondContact CZ3-O 3.46Å
307	S	96.7	Very high	93.1	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-56.6	-39.9	178.6	-54.8	0	0	0	0	112.1	I213 Y288 C303 D304 V310 I311	I213-S307 WeakPolarHBondContact O-CB 3.14Å; Y288-S307 WeakPolarHBondContact O-CA 3.3Å; Y288-S307 WeakPolarHBondContact O-CB 3.13Å; Y288-S307 PolarHBondContact O-OG 3.31Å; C303-S307 PolarHBondContact O-N 3.02Å; C303-S307 PolarHBondContact O-OG 3.25Å; D304-S307 WeakPolarHBondContact O-CB 3.48Å; D304-S307 PolarHBondContact O-N 3.02Å; S307-V310 WeakPolarHBondContact O-CB 3.5Å; S307-V310 PolarHBondContact O-N 3.46Å; S307-I311 WeakPolarHBondContact O-CG1 3.48Å; S307-I311 PolarHBondContact O-N 2.9Å
308	L	98.3	Very high	94.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-39.5	174.4	-176.4	58.6	0	0	0	112.7	V193 T196 V197 I200 D304 W305 W306 V310 I311 M312 F360	V193-L308 HydrophobicContact CG1-CD1 4.26Å; V193-L308 HydrophobicContact CG1-CD2 4.17Å; V193-L308 HydrophobicContact CG1-CG 4.24Å; T196-L308 HydrophobicContact CG2-CD1 3.65Å; V197-L308 HydrophobicContact CG2-CD2 3.54Å; I200-L308 HydrophobicContact CD1-CB 4.28Å; I200-L308 HydrophobicContact CD1-CD2 4.29Å; D304-L308 PolarHBondContact O-N 2.85Å; W305-L308 HydrophobicContact CE3-CD2 3.99Å; W305-L308 HydrophobicContact CZ3-CD2 4.05Å; W305-L308 PolarHBondContact O-N 3.32Å; W306-L308 PolarHBondContact O-N 3.44Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 2.81Å; L308-I311 PolarHBondContact O-N 3.48Å; L308-M312 WeakPolarHBondContact O-CB 3.46Å; L308-M312 PolarHBondContact O-N 3.06Å; L308-F360 HydrophobicContact CD2-CE1 4.38Å; L308-F360 HydrophobicContact CD2-CZ 4.06Å; L308-F360 HydrophobicContact CG-CZ 4.48Å
309	G	98.4	Very high	95.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.7	-40.5	173.4	0	0	0	0	0	113.1	W305 W306 M312 Y313	W305-G309 PolarHBondContact O-N 3.42Å; W305-G309 VanDerWaalsContact O-N 3.09Å; W306-G309 WeakPolarHBondContact O-CA 3.42Å; W306-G309 PolarHBondContact O-N 2.96Å; G309-M312 PolarHBondContact O-N 2.7Å; G309-Y313 PolarHBondContact O-N 2.95Å
310	V	98.4	Very high	95.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.1	-42.6	174	177.1	0	0	0	0	110.8	D287 Y288 W306 S307 L308 Y313 E314 P320 P321 F322	D287-V310 VanDerWaalsContact O-CG1 3.31Å; D287-V310 WeakPolarHBondContact O-CG1 3.39Å; Y288-V310 HydrophobicContact CD1-CB 3.94Å; Y288-V310 HydrophobicContact CD1-CG1 3.36Å; Y288-V310 HydrophobicContact CE1-CG1 3.68Å; Y288-V310 HydrophobicContact CG-CG1 4.15Å; W306-V310 WeakPolarHBondContact O-CG2 3.4Å; W306-V310 PolarHBondContact O-N 3.38Å; S307-V310 WeakPolarHBondContact O-CB 3.5Å; S307-V310 PolarHBondContact O-N 3.46Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 2.81Å; V310-Y313 PolarHBondContact O-N 3.47Å; V310-E314 PolarHBondContact O-N 3.05Å; V310-P320 HydrophobicContact CG1-CB 3.63Å; V310-P321 HydrophobicContact CG1-CG 4.38Å; V310-P321 HydrophobicContact CG2-CG 4.41Å; V310-F322 HydrophobicContact CG2-CE2 4.23Å
311	I	98.1	Very high	96.2	Very high	2 Å²	2	8 Å²	8	1%	0.01	4%	0.04	C	C	.	.	H	α-helix	trans	-63.2	-45.1	175.3	-67.3	172.6	0	0	0	111	I213 P215 Y288 S307 L308 Y313 E314 M315	I213-I311 HydrophobicContact CG2-CD1 3.58Å; P215-I311 HydrophobicContact CG-CG1 4.12Å; P215-I311 HydrophobicContact CG-CG2 4.49Å; Y288-I311 HydrophobicContact CD1-CG1 3.93Å; Y288-I311 HydrophobicContact CE1-CG1 4.01Å; S307-I311 WeakPolarHBondContact O-CG1 3.48Å; S307-I311 PolarHBondContact O-N 2.9Å; L308-I311 PolarHBondContact O-N 3.48Å; I311-Y313 VanDerWaalsContact C-N 3.3Å; I311-Y313 PolarHBondContact O-N 3.22Å; I311-E314 PolarHBondContact O-N 3.35Å; I311-E314 VanDerWaalsContact O-N 3.09Å; I311-M315 HydrophobicContact CG2-CE 3.65Å; I311-M315 HydrophobicContact CG2-CG 4.3Å; I311-M315 HydrophobicContact CG2-SD 4.05Å; I311-M315 WeakPolarHBondContact O-CG 3.36Å; I311-M315 PolarHBondContact O-N 3.29Å
312	M	98.6	Very high	96.5	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.8	-41.7	178.1	-179.7	178.1	172.7	0	0	111.4	T189 V193 L308 G309 M315 L316 A353 L356 I357 F360 F381	T189-M312 HydrophobicContact CG2-CG 3.94Å; V193-M312 HydrophobicContact CG1-SD 4.5Å; V193-M312 HydrophobicContact CG2-CB 3.97Å; V193-M312 HydrophobicContact CG2-CG 4.04Å; V193-M312 HydrophobicContact CG2-SD 4.49Å; L308-M312 WeakPolarHBondContact O-CB 3.46Å; L308-M312 PolarHBondContact O-N 3.06Å; G309-M312 PolarHBondContact O-N 2.7Å; M312-M315 PolarHBondContact O-N 3.27Å; M312-L316 HydrophobicContact CE-CD1 4.09Å; M312-L316 HydrophobicContact CG-CD1 4.29Å; M312-L316 WeakPolarHBondContact O-CG 3.39Å; M312-L316 PolarHBondContact O-N 3.34Å; M312-A353 HydrophobicContact CE-CB 3.94Å; M312-L356 HydrophobicContact CE-CB 4.24Å; M312-L356 HydrophobicContact CE-CD2 3.96Å; M312-L356 HydrophobicContact CE-CG 4.32Å; M312-L356 HydrophobicContact SD-CB 4.42Å; M312-L356 HydrophobicContact SD-CD2 3.75Å; M312-L356 HydrophobicContact SD-CG 3.96Å; M312-I357 HydrophobicContact CB-CG1 4.25Å; M312-I357 HydrophobicContact CE-CD1 4.43Å; M312-I357 HydrophobicContact CE-CG1 4.11Å; M312-I357 HydrophobicContact CG-CD1 4.16Å; M312-I357 HydrophobicContact CG-CG1 3.85Å; M312-I357 HydrophobicContact SD-CG1 3.81Å; M312-F360 HydrophobicContact SD-CE2 4.37Å; M312-F381 HydrophobicContact CE-CD1 3.81Å; M312-F381 HydrophobicContact CE-CD2 4.05Å; M312-F381 HydrophobicContact CE-CE1 3.51Å; M312-F381 HydrophobicContact CE-CE2 3.8Å; M312-F381 HydrophobicContact CE-CG 4.06Å; M312-F381 HydrophobicContact CE-CZ 3.52Å; M312-F381 HydrophobicContact SD-CE1 4.38Å
313	Y	98.5	Very high	96.3	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.016	2%	0.024	C	C	.	.	H	α-helix	trans	-61.7	-46	172.6	-176.3	-73.7	0	0	0	111.2	G309 V310 I311 M315 L316 I317 Y319 P321 L341 V342 F343 P344 I357	G309-Y313 PolarHBondContact O-N 2.95Å; V310-Y313 PolarHBondContact O-N 3.47Å; I311-Y313 VanDerWaalsContact C-N 3.3Å; I311-Y313 PolarHBondContact O-N 3.22Å; Y313-M315 VanDerWaalsContact C-N 3.33Å; Y313-M315 PolarHBondContact O-N 3.44Å; Y313-L316 PolarHBondContact O-N 3.41Å; Y313-I317 HydrophobicContact CD1-CB 3.89Å; Y313-I317 HydrophobicContact CD1-CG1 3.82Å; Y313-I317 HydrophobicContact CD1-CG2 4.48Å; Y313-I317 HydrophobicContact CD2-CG1 4.1Å; Y313-I317 HydrophobicContact CE1-CB 3.57Å; Y313-I317 HydrophobicContact CE1-CG1 3.64Å; Y313-I317 HydrophobicContact CE1-CG2 3.67Å; Y313-I317 HydrophobicContact CE2-CG1 3.93Å; Y313-I317 HydrophobicContact CG-CG1 4.05Å; Y313-I317 VanDerWaalsContact O-CB 3.27Å; Y313-I317 WeakPolarHBondContact O-CB 3.47Å; Y313-I317 VanDerWaalsContact O-CG1 3.31Å; Y313-I317 WeakPolarHBondContact O-CG1 3.39Å; Y313-I317 PolarHBondContact O-N 3.45Å; Y313-Y319 WeakPolarHBondContact CD1-O 3.32Å; Y313-Y319 HydrophobicContact CE1-CD2 4.48Å; Y313-Y319 HydrophobicContact CE1-CE2 4.33Å; Y313-Y319 VanDerWaalsContact CE1-O 3.23Å; Y313-Y319 WeakPolarHBondContact CE1-O 3.44Å; Y313-P321 HydrophobicContact CD1-CB 4.02Å; Y313-P321 VanDerWaalsContact CD1-CD 3.44Å; Y313-P321 HydrophobicContact CD1-CG 4.21Å; Y313-P321 HydrophobicContact CD2-CB 4.14Å; Y313-P321 HydrophobicContact CE1-CB 3.99Å; Y313-P321 HydrophobicContact CE2-CB 4.11Å; Y313-P321 HydrophobicContact CG-CB 4.11Å; Y313-P321 HydrophobicContact CG-CG 4.14Å; Y313-L341 HydrophobicContact CD2-CD1 4.3Å; Y313-L341 HydrophobicContact CE2-CD1 4.36Å; Y313-V342 PolarHBondContact OH-O 3.5Å; Y313-F343 HydrophobicContact CD2-CD1 4.17Å; Y313-F343 AromaticContact CD2-CE1 3.82Å; Y313-F343 HydrophobicContact CD2-CE1 3.82Å; Y313-F343 AromaticContact CE2-CD1 3.79Å; Y313-F343 HydrophobicContact CE2-CD1 3.79Å; Y313-F343 AromaticContact CE2-CE1 3.89Å; Y313-F343 HydrophobicContact CE2-CE1 3.89Å; Y313-P344 WeakPolarHBondContact OH-CD 3.37Å; Y313-I357 HydrophobicContact CD2-CD1 4.36Å; Y313-I357 HydrophobicContact CD2-CG2 4.2Å
314	E	97.3	Very high	96	Very high	6 Å²	6	5 Å²	5	3%	0.028	3%	0.03	C	C	.	.	H	α-helix	trans	-62.1	-38.8	178.5	-177.1	176	-168.6	0	0	112.7	L178 P215 W271 Y288 V310 I311 L316 G318	L178-E314 HydrophobicContact CD1-CG 4.23Å; P215-E314 WeakPolarHBondContact CG-OE2 3.31Å; W271-E314 PolarHBondContact NE1-OE1 3.14Å; Y288-E314 WeakPolarHBondContact CE1-OE2 3.46Å; Y288-E314 PolarHBondContact OH-OE1 3.05Å; Y288-E314 PolarHBondContact OH-OE2 2.99Å; V310-E314 PolarHBondContact O-N 3.05Å; I311-E314 PolarHBondContact O-N 3.35Å; I311-E314 VanDerWaalsContact O-N 3.09Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L316 PolarHBondContact O-N 3.38Å; E314-G318 WeakPolarHBondContact O-CA 3.49Å; E314-G318 PolarHBondContact O-N 2.94Å
315	M	98	Very high	95.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-59.1	-44.1	175.5	-72.8	171.6	167.5	0	0	111.7	M174 L178 T183 L184 T189 V193 I311 M312 Y313	M174-M315 HydrophobicContact CE-CE 3.78Å; M174-M315 HydrophobicContact CG-CE 3.8Å; M174-M315 HydrophobicContact SD-CE 3.61Å; L178-M315 HydrophobicContact CD1-CG 4.38Å; L178-M315 HydrophobicContact CD2-CB 4.44Å; L178-M315 HydrophobicContact CD2-CG 4.08Å; T183-M315 CarbonylContact C-O 3.55Å; T183-M315 WeakPolarHBondContact CA-O 3.28Å; L184-M315 HydrophobicContact CB-CB 4.41Å; L184-M315 HydrophobicContact CD1-CB 4.27Å; L184-M315 HydrophobicContact CD1-CE 4.39Å; L184-M315 HydrophobicContact CD1-CG 3.95Å; L184-M315 HydrophobicContact CD1-SD 4.26Å; L184-M315 HydrophobicContact CG-CB 4.44Å; L184-M315 PolarHBondContact N-O 2.98Å; T189-M315 HydrophobicContact CG2-CB 4.09Å; T189-M315 HydrophobicContact CG2-SD 3.99Å; V193-M315 HydrophobicContact CG2-SD 4.04Å; I311-M315 HydrophobicContact CG2-CE 3.65Å; I311-M315 HydrophobicContact CG2-CG 4.3Å; I311-M315 HydrophobicContact CG2-SD 4.05Å; I311-M315 WeakPolarHBondContact O-CG 3.36Å; I311-M315 PolarHBondContact O-N 3.29Å; M312-M315 PolarHBondContact O-N 3.27Å; Y313-M315 VanDerWaalsContact C-N 3.33Å; Y313-M315 PolarHBondContact O-N 3.44Å
316	L	97.9	Very high	94.8	Very high	14 Å²	14	14 Å²	14	7%	0.073	8%	0.075	C	C	.	.	H	α-helix	trans	-85.5	-31.9	-174.5	-64.2	172.9	0	0	0	113.5	E186 T189 M312 Y313 E314 I349 A353 I357	E186-L316 HydrophobicContact CG-CD2 3.77Å; T189-L316 HydrophobicContact CG2-CD1 4.29Å; T189-L316 HydrophobicContact CG2-CD2 4.07Å; T189-L316 HydrophobicContact CG2-CG 4.01Å; T189-L316 WeakPolarHBondContact OG1-CD2 3.46Å; M312-L316 HydrophobicContact CE-CD1 4.09Å; M312-L316 HydrophobicContact CG-CD1 4.29Å; M312-L316 WeakPolarHBondContact O-CG 3.39Å; M312-L316 PolarHBondContact O-N 3.34Å; Y313-L316 PolarHBondContact O-N 3.41Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L316 PolarHBondContact O-N 3.38Å; L316-I349 HydrophobicContact CB-CD1 4.24Å; L316-I349 HydrophobicContact CD1-CD1 3.76Å; L316-I349 HydrophobicContact CD1-CG1 4.23Å; L316-A353 HydrophobicContact CD1-CB 3.83Å; L316-I357 HydrophobicContact CD1-CD1 4.21Å
317	I	96.4	Very high	94.2	Very high	6 Å²	6	15 Å²	15	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-105.4	-26.1	-172	-51.6	-59.2	0	0	0	112.4	Y313 Y319 P344 V347 I349	Y313-I317 HydrophobicContact CD1-CB 3.89Å; Y313-I317 HydrophobicContact CD1-CG1 3.82Å; Y313-I317 HydrophobicContact CD1-CG2 4.48Å; Y313-I317 HydrophobicContact CD2-CG1 4.1Å; Y313-I317 HydrophobicContact CE1-CB 3.57Å; Y313-I317 HydrophobicContact CE1-CG1 3.64Å; Y313-I317 HydrophobicContact CE1-CG2 3.67Å; Y313-I317 HydrophobicContact CE2-CG1 3.93Å; Y313-I317 HydrophobicContact CG-CG1 4.05Å; Y313-I317 VanDerWaalsContact O-CB 3.27Å; Y313-I317 WeakPolarHBondContact O-CB 3.47Å; Y313-I317 VanDerWaalsContact O-CG1 3.31Å; Y313-I317 WeakPolarHBondContact O-CG1 3.39Å; Y313-I317 PolarHBondContact O-N 3.45Å; I317-Y319 HydrophobicContact CG2-CD1 4.3Å; I317-Y319 HydrophobicContact CG2-CE1 3.73Å; I317-Y319 HydrophobicContact CG2-CE2 4.36Å; I317-P344 HydrophobicContact CG2-CG 3.99Å; I317-V347 HydrophobicContact CD1-CB 4.24Å; I317-V347 HydrophobicContact CD1-CG1 3.63Å; I317-I349 HydrophobicContact CD1-CD1 4.22Å
318	G	94.1	Very high	93.7	Very high	4 Å²	4	17.9 Å²	17.9	4%	0.041	10%	0.095	C	C	.	.	S	Bend	trans	97.3	1.2	176.4	0	0	0	0	0	115.7	E314	E314-G318 WeakPolarHBondContact O-CA 3.49Å; E314-G318 PolarHBondContact O-N 2.94Å
319	Y	93.8	Very high	93.2	Very high	8 Å²	8	20 Å²	20	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	-156.7	154	172.1	55	-87.2	0	0	0	109.5	S264 K267 A268 Y313 I317 C323 P344	S264-Y319 VanDerWaalsContact O-CE1 3.31Å; S264-Y319 WeakPolarHBondContact O-CE1 3.32Å; S264-Y319 VanDerWaalsContact OG-CE1 3.26Å; S264-Y319 WeakPolarHBondContact OG-CE1 3.49Å; S264-Y319 PolarHBondContact OG-OH 3.24Å; K267-Y319 HydrophobicContact CB-CD1 3.98Å; K267-Y319 HydrophobicContact CB-CD2 4.33Å; K267-Y319 HydrophobicContact CB-CE1 3.75Å; K267-Y319 HydrophobicContact CB-CE2 4.13Å; K267-Y319 HydrophobicContact CB-CG 4.27Å; K267-Y319 HydrophobicContact CD-CE2 3.97Å; A268-Y319 HydrophobicContact CB-CD1 3.89Å; A268-Y319 HydrophobicContact CB-CE1 4.45Å; Y313-Y319 WeakPolarHBondContact CD1-O 3.32Å; Y313-Y319 HydrophobicContact CE1-CD2 4.48Å; Y313-Y319 HydrophobicContact CE1-CE2 4.33Å; Y313-Y319 VanDerWaalsContact CE1-O 3.23Å; Y313-Y319 WeakPolarHBondContact CE1-O 3.44Å; I317-Y319 HydrophobicContact CG2-CD1 4.3Å; I317-Y319 HydrophobicContact CG2-CE1 3.73Å; I317-Y319 HydrophobicContact CG2-CE2 4.36Å; Y319-C323 VanDerWaalsContact CD2-SG 3.59Å; Y319-P344 VanDerWaalsContact OH-CG 3.28Å; Y319-P344 WeakPolarHBondContact OH-CG 2.97Å
320	P	95.5	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.			trans	-72.6	149.7	178.6	27.6	-30.1	0	0	0	111	W271 D287 Y288 V310 F322 C323	W271-P320 HydrophobicContact CD2-CG 4.43Å; W271-P320 HydrophobicContact CH2-CG 3.4Å; W271-P320 VanDerWaalsContact CH2-CG 3.4Å; W271-P320 HydrophobicContact CZ2-CG 3.25Å; W271-P320 HydrophobicContact CZ3-CG 4.08Å; D287-P320 HydrophobicContact CB-CB 4.25Å; D287-P320 HydrophobicContact CB-CG 3.94Å; Y288-P320 HydrophobicContact CE1-CB 4.37Å; V310-P320 HydrophobicContact CG1-CB 3.63Å; P320-F322 PolarHBondContact O-N 3.43Å; P320-C323 HydrophobicContact CG-CB 3.99Å; P320-C323 PolarHBondContact O-N 3.27Å; P320-C323 VanDerWaalsContact O-N 3.14Å
321	P	95.5	Very high	92.4	Very high	14 Å²	14	20.5 Å²	20.5	9%	0.091	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.6	-168.2	21.5	-33.8	0	0	0	114.2	V310 Y313 L341	V310-P321 HydrophobicContact CG1-CG 4.38Å; V310-P321 HydrophobicContact CG2-CG 4.41Å; Y313-P321 HydrophobicContact CD1-CB 4.02Å; Y313-P321 VanDerWaalsContact CD1-CD 3.44Å; Y313-P321 HydrophobicContact CD1-CG 4.21Å; Y313-P321 HydrophobicContact CD2-CB 4.14Å; Y313-P321 HydrophobicContact CE1-CB 3.99Å; Y313-P321 HydrophobicContact CE2-CB 4.11Å; Y313-P321 HydrophobicContact CG-CB 4.11Å; Y313-P321 HydrophobicContact CG-CG 4.14Å; P321-L341 HydrophobicContact CB-CD1 3.45Å; P321-L341 VanDerWaalsContact CB-CD1 3.45Å; P321-L341 HydrophobicContact CG-CD1 3.97Å
322	F	94.8	Very high	92	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	7.7	-174.2	-46.4	-62.8	0	0	0	113.7	W306 V310 P320 S324 T330 K333 V334 W337 L341	W306-F322 HydrophobicContact CH2-CE2 4.43Å; W306-F322 HydrophobicContact CH2-CZ 4.24Å; W306-F322 AromaticContact CZ2-CE2 3.52Å; W306-F322 HydrophobicContact CZ2-CE2 3.52Å; W306-F322 AromaticContact CZ2-CZ 3.76Å; W306-F322 HydrophobicContact CZ2-CZ 3.76Å; V310-F322 HydrophobicContact CG2-CE2 4.23Å; P320-F322 PolarHBondContact O-N 3.43Å; F322-S324 PolarHBondContact O-N 2.5Å; F322-S324 PolarHBondContact O-OG 2.83Å; F322-T330 HydrophobicContact CB-CG2 4.23Å; F322-T330 WeakPolarHBondContact O-CA 3.49Å; F322-T330 WeakPolarHBondContact O-CG2 3.48Å; F322-T330 PolarHBondContact O-OG1 2.99Å; F322-K333 HydrophobicContact CB-CB 4Å; F322-K333 HydrophobicContact CD1-CB 4.09Å; F322-K333 HydrophobicContact CG-CB 4.48Å; F322-V334 HydrophobicContact CB-CG2 3.76Å; F322-V334 HydrophobicContact CD2-CG2 3.7Å; F322-V334 HydrophobicContact CE2-CG2 4.49Å; F322-V334 HydrophobicContact CG-CG2 3.76Å; F322-W337 HydrophobicContact CE1-CB 3.81Å; F322-W337 HydrophobicContact CZ-CB 3.83Å; F322-L341 HydrophobicContact CE1-CB 4.02Å; F322-L341 HydrophobicContact CZ-CB 4.24Å; F322-L341 HydrophobicContact CZ-CD1 4.27Å
323	C	89.8	Confident	91.8	Very high	15 Å²	15	23 Å²	23	10%	0.101	12%	0.117	C	C	.	.			trans	-57.5	139.1	-176	72.2	0	0	0	0	112.2	W271 D287 Y319 P320 K333	W271-C323 HydrophobicContact CE3-CB 3.82Å; W271-C323 HydrophobicContact CZ3-CB 3.88Å; D287-C323 WeakPolarHBondContact OD1-CA 3.16Å; Y319-C323 VanDerWaalsContact CD2-SG 3.59Å; P320-C323 HydrophobicContact CG-CB 3.99Å; P320-C323 PolarHBondContact O-N 3.27Å; P320-C323 VanDerWaalsContact O-N 3.14Å; C323-K333 PolarHBondContact O-NZ 3.39Å
324	S	87	Confident	91.5	Very high	20 Å²	20	22.8 Å²	22.8	14%	0.14	12%	0.117	C	C	.	.			trans	-146.7	170.7	178.4	-50	0	0	0	0	109.9	F322 T326 T330 K333	F322-S324 PolarHBondContact O-N 2.5Å; F322-S324 PolarHBondContact O-OG 2.83Å; S324-T326 VanDerWaalsContact C-N 3.29Å; S324-T330 PolarHBondContact N-OG1 3.49Å; S324-T330 PolarHBondContact OG-N 3.43Å; S324-K333 WeakPolarHBondContact OG-CD 3.2Å; S324-K333 VanDerWaalsContact OG-CE 3.28Å; S324-K333 WeakPolarHBondContact OG-CE 3.33Å; S324-K333 PolarHBondContact OG-NZ 2.82Å
325	E	81.3	Confident	91.3	Very high	144 Å²	144	24.2 Å²	24.2	67%	0.673	12%	0.124	S	C	*	.	S	Bend	trans	-68.7	-32.5	176.1	-63.5	-170.7	174.7	0	0	111.6
326	T	84.3	Confident	91	Very high	49 Å²	49	26 Å²	26	30%	0.301	13%	0.134	S	C	.	.	S	Bend	trans	-116.8	144	-179.5	70	0	0	0	0	113	S324 Q328 E329 T330	S324-T326 VanDerWaalsContact C-N 3.29Å; T326-Q328 PolarHBondContact O-N 2.76Å; T326-E329 PolarHBondContact N-OE2 3.1Å; T326-E329 PolarHBondContact O-N 3.38Å; T326-E329 VanDerWaalsContact O-N 3.17Å; T326-E329 WeakPolarHBondContact OG1-CB 3.46Å; T326-E329 VanDerWaalsContact OG1-CG 3.24Å; T326-E329 WeakPolarHBondContact OG1-CG 3.05Å; T326-E329 PolarHBondContact OG1-N 2.78Å; T326-E329 PolarHBondContact OG1-OE2 3.45Å; T326-T330 PolarHBondContact O-N 2.97Å; T326-T330 VanDerWaalsContact O-N 3.14Å; T326-T330 PolarHBondContact O-OG1 3.09Å
327	P	85.5	Confident	90.9	Very high	22 Å²	22	27.2 Å²	27.2	14%	0.143	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-31.6	173.9	-25.2	33.4	0	0	0	113.7	A240 F245 V283 T285 Y331	A240-P327 HydrophobicContact CB-CB 3.99Å; F245-P327 HydrophobicContact CE1-CB 4.46Å; V283-P327 HydrophobicContact CG1-CG 4.44Å; T285-P327 HydrophobicContact CG2-CB 4.5Å; T285-P327 HydrophobicContact CG2-CG 4.07Å; P327-Y331 WeakPolarHBondContact O-CB 3.37Å; P327-Y331 PolarHBondContact O-N 3.28Å
328	Q	85.9	Confident	90.8	Very high	67 Å²	67	33.7 Å²	33.7	31%	0.313	17%	0.165	S	C	.	.	H	α-helix	trans	-65.4	-40.3	178.1	-69.8	84	-4.8	0	0	112.5	F245 L249 T326 K332	F245-Q328 HydrophobicContact CE1-CG 4.47Å; L249-Q328 HydrophobicContact CD1-CG 4.26Å; L249-Q328 HydrophobicContact CD2-CB 3.74Å; L249-Q328 HydrophobicContact CD2-CG 4.02Å; T326-Q328 PolarHBondContact O-N 2.76Å; Q328-K332 WeakPolarHBondContact O-CG 2.84Å; Q328-K332 PolarHBondContact O-N 3.41Å; Q328-K332 VanDerWaalsContact O-N 3.12Å
329	E	88.7	Confident	90.7	Very high	45 Å²	45	39.8 Å²	39.8	21%	0.21	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-41.6	175.7	-72.6	160.2	161.4	0	0	111.5	T326 Y331 K332 K333	T326-E329 PolarHBondContact N-OE2 3.1Å; T326-E329 PolarHBondContact O-N 3.38Å; T326-E329 VanDerWaalsContact O-N 3.17Å; T326-E329 WeakPolarHBondContact OG1-CB 3.46Å; T326-E329 VanDerWaalsContact OG1-CG 3.24Å; T326-E329 WeakPolarHBondContact OG1-CG 3.05Å; T326-E329 PolarHBondContact OG1-N 2.78Å; T326-E329 PolarHBondContact OG1-OE2 3.45Å; E329-Y331 VanDerWaalsContact C-N 3.27Å; E329-Y331 PolarHBondContact O-N 2.79Å; E329-K332 PolarHBondContact O-N 3.02Å; E329-K332 VanDerWaalsContact O-N 3.13Å; E329-K333 WeakPolarHBondContact O-CG 3.34Å; E329-K333 PolarHBondContact O-N 2.77Å
330	T	90.5	Very high	90.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-46.2	172	-61.3	0	0	0	0	110.1	P286 D287 F322 S324 T326 K332 K333 V334	P286-T330 HydrophobicContact CG-CG2 3.7Å; D287-T330 HydrophobicContact CB-CG2 4.42Å; D287-T330 WeakPolarHBondContact OD1-CG2 3.34Å; F322-T330 HydrophobicContact CB-CG2 4.23Å; F322-T330 WeakPolarHBondContact O-CA 3.49Å; F322-T330 WeakPolarHBondContact O-CG2 3.48Å; F322-T330 PolarHBondContact O-OG1 2.99Å; S324-T330 PolarHBondContact N-OG1 3.49Å; S324-T330 PolarHBondContact OG-N 3.43Å; T326-T330 PolarHBondContact O-N 2.97Å; T326-T330 VanDerWaalsContact O-N 3.14Å; T326-T330 PolarHBondContact O-OG1 3.09Å; T330-K332 PolarHBondContact O-N 3.32Å; T330-K333 PolarHBondContact O-N 3.02Å; T330-V334 HydrophobicContact CG2-CG2 4.32Å; T330-V334 WeakPolarHBondContact O-CG2 3.36Å; T330-V334 PolarHBondContact O-N 3.17Å
331	Y	89	Confident	90.8	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-46	175.5	171.5	-95.8	0	0	0	112.9	Y246 L249 H251 F294 P327 E329 K333 V334 M335	Y246-Y331 AromaticContact CD1-CD1 3.75Å; Y246-Y331 HydrophobicContact CD1-CD1 3.75Å; Y246-Y331 AromaticContact CD1-CD2 3.85Å; Y246-Y331 HydrophobicContact CD1-CD2 3.85Å; Y246-Y331 HydrophobicContact CD1-CE1 4.27Å; Y246-Y331 HydrophobicContact CD1-CE2 4.35Å; Y246-Y331 AromaticContact CD1-CG 3.5Å; Y246-Y331 HydrophobicContact CD1-CG 3.5Å; Y246-Y331 VanDerWaalsContact CD1-CG 3.5Å; Y246-Y331 AromaticContact CD2-CD2 3.56Å; Y246-Y331 HydrophobicContact CD2-CD2 3.56Å; Y246-Y331 AromaticContact CD2-CE2 3.67Å; Y246-Y331 HydrophobicContact CD2-CE2 3.67Å; Y246-Y331 HydrophobicContact CD2-CG 4.11Å; Y246-Y331 VanDerWaalsContact CE1-CB 3.41Å; Y246-Y331 HydrophobicContact CE1-CD1 4.32Å; Y246-Y331 HydrophobicContact CE1-CD2 4.03Å; Y246-Y331 AromaticContact CE1-CG 3.68Å; Y246-Y331 HydrophobicContact CE1-CG 3.68Å; Y246-Y331 AromaticContact CE2-CD2 3.74Å; Y246-Y331 HydrophobicContact CE2-CD2 3.74Å; Y246-Y331 HydrophobicContact CE2-CE2 4.28Å; Y246-Y331 HydrophobicContact CE2-CG 4.26Å; Y246-Y331 AromaticContact CG-CD1 3.98Å; Y246-Y331 HydrophobicContact CG-CD1 3.98Å; Y246-Y331 AromaticContact CG-CD2 3.61Å; Y246-Y331 HydrophobicContact CG-CD2 3.61Å; Y246-Y331 HydrophobicContact CG-CE1 4.09Å; Y246-Y331 AromaticContact CG-CE2 3.71Å; Y246-Y331 HydrophobicContact CG-CE2 3.71Å; Y246-Y331 AromaticContact CG-CG 3.72Å; Y246-Y331 HydrophobicContact CG-CG 3.72Å; Y246-Y331 AromaticContact CG-CZ 3.93Å; Y246-Y331 AromaticContact CZ-CD2 3.97Å; L249-Y331 HydrophobicContact CD2-CD1 4.23Å; H251-Y331 AromaticContact CE1-CZ 3.79Å; H251-Y331 PolarHBondContact CE1-OH 3.47Å; H251-Y331 AromaticContact ND1-CE1 3.9Å; F294-Y331 HydrophobicContact CB-CE2 3.89Å; F294-Y331 HydrophobicContact CD1-CD2 4.21Å; F294-Y331 AromaticContact CD1-CE2 3.96Å; F294-Y331 HydrophobicContact CD1-CE2 3.96Å; F294-Y331 HydrophobicContact CD2-CD2 4.14Å; F294-Y331 HydrophobicContact CD2-CE2 4.03Å; F294-Y331 HydrophobicContact CE1-CD2 4.35Å; F294-Y331 HydrophobicContact CE2-CD2 4.26Å; F294-Y331 HydrophobicContact CG-CD2 4.11Å; F294-Y331 AromaticContact CG-CE2 3.68Å; F294-Y331 HydrophobicContact CG-CE2 3.68Å; F294-Y331 HydrophobicContact CZ-CD2 4.37Å; P327-Y331 WeakPolarHBondContact O-CB 3.37Å; P327-Y331 PolarHBondContact O-N 3.28Å; E329-Y331 VanDerWaalsContact C-N 3.27Å; E329-Y331 PolarHBondContact O-N 2.79Å; Y331-K333 VanDerWaalsContact C-N 3.32Å; Y331-K333 PolarHBondContact O-N 3.47Å; Y331-V334 PolarHBondContact O-N 3.27Å; Y331-M335 HydrophobicContact CD1-CG 4.41Å; Y331-M335 HydrophobicContact CD2-CE 4.44Å; Y331-M335 HydrophobicContact CD2-CG 4.4Å; Y331-M335 HydrophobicContact CE1-CG 4.04Å; Y331-M335 HydrophobicContact CE2-CE 3.6Å; Y331-M335 HydrophobicContact CE2-CG 4.04Å; Y331-M335 WeakPolarHBondContact O-CB 3.28Å; Y331-M335 WeakPolarHBondContact O-CG 3.18Å; Y331-M335 PolarHBondContact O-N 3.3Å
332	K	90.6	Very high	90.7	Very high	37 Å²	37	44.7 Å²	44.7	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-38.8	176.8	-73.8	178.5	174.5	-169	0	112.4	L249 N250 S252 Q328 E329 T330 N336	L249-K332 HydrophobicContact CD2-CG 4.41Å; N250-K332 WeakPolarHBondContact O-CE 3.45Å; S252-K332 WeakPolarHBondContact O-CD 3.42Å; Q328-K332 WeakPolarHBondContact O-CG 2.84Å; Q328-K332 PolarHBondContact O-N 3.41Å; Q328-K332 VanDerWaalsContact O-N 3.12Å; E329-K332 PolarHBondContact O-N 3.02Å; E329-K332 VanDerWaalsContact O-N 3.13Å; T330-K332 PolarHBondContact O-N 3.32Å; K332-N336 WeakPolarHBondContact O-CB 3.42Å; K332-N336 PolarHBondContact O-N 3.09Å; K332-N336 VanDerWaalsContact O-N 3.12Å; K332-N336 PolarHBondContact O-ND2 2.97Å
333	K	92.8	Very high	90.8	Very high	17 Å²	17	46.9 Å²	46.9	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-49.2	174.7	-70.5	179.7	-177.9	165.9	0	110.8	F322 C323 S324 E329 T330 Y331 M335 N336 W337 T340	F322-K333 HydrophobicContact CB-CB 4Å; F322-K333 HydrophobicContact CD1-CB 4.09Å; F322-K333 HydrophobicContact CG-CB 4.48Å; C323-K333 PolarHBondContact O-NZ 3.39Å; S324-K333 WeakPolarHBondContact OG-CD 3.2Å; S324-K333 VanDerWaalsContact OG-CE 3.28Å; S324-K333 WeakPolarHBondContact OG-CE 3.33Å; S324-K333 PolarHBondContact OG-NZ 2.82Å; E329-K333 WeakPolarHBondContact O-CG 3.34Å; E329-K333 PolarHBondContact O-N 2.77Å; T330-K333 PolarHBondContact O-N 3.02Å; Y331-K333 VanDerWaalsContact C-N 3.32Å; Y331-K333 PolarHBondContact O-N 3.47Å; K333-M335 VanDerWaalsContact C-N 3.27Å; K333-M335 PolarHBondContact O-N 3.03Å; K333-N336 CarbonylContact O-C 3.48Å; K333-N336 PolarHBondContact O-N 2.89Å; K333-W337 WeakPolarHBondContact O-CA 3.37Å; K333-W337 PolarHBondContact O-N 3.02Å; K333-T340 HydrophobicContact CB-CG2 4.27Å; K333-T340 HydrophobicContact CG-CG2 4.16Å; K333-T340 PolarHBondContact O-OG1 2.94Å
334	V	93.4	Very high	90.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.3	-43.1	176.1	171.3	0	0	0	0	111.4	I289 P291 F294 F322 T330 Y331 N336 W337	I289-V334 WeakPolarHBondContact O-CG1 3.26Å; P291-V334 HydrophobicContact CB-CG1 4.18Å; F294-V334 HydrophobicContact CE2-CG1 4.37Å; F322-V334 HydrophobicContact CB-CG2 3.76Å; F322-V334 HydrophobicContact CD2-CG2 3.7Å; F322-V334 HydrophobicContact CE2-CG2 4.49Å; F322-V334 HydrophobicContact CG-CG2 3.76Å; T330-V334 HydrophobicContact CG2-CG2 4.32Å; T330-V334 WeakPolarHBondContact O-CG2 3.36Å; T330-V334 PolarHBondContact O-N 3.17Å; Y331-V334 PolarHBondContact O-N 3.27Å; V334-N336 VanDerWaalsContact C-N 3.31Å; V334-N336 PolarHBondContact O-N 2.62Å; V334-W337 WeakPolarHBondContact O-CB 3.26Å; V334-W337 VanDerWaalsContact O-CD1 3.3Å; V334-W337 PolarHBondContact O-N 2.94Å
335	M	91.5	Very high	91.1	Very high	36 Å²	36	52.2 Å²	52.2	18%	0.177	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-29.3	178.3	-75.5	-70	162.8	0	0	114	P291 F294 Y331 K333	P291-M335 WeakPolarHBondContact O-CE 3.46Å; F294-M335 HydrophobicContact CB-CE 3.29Å; F294-M335 HydrophobicContact CD2-CE 3.72Å; F294-M335 HydrophobicContact CG-CE 3.86Å; Y331-M335 HydrophobicContact CD1-CG 4.41Å; Y331-M335 HydrophobicContact CD2-CE 4.44Å; Y331-M335 HydrophobicContact CD2-CG 4.4Å; Y331-M335 HydrophobicContact CE1-CG 4.04Å; Y331-M335 HydrophobicContact CE2-CE 3.6Å; Y331-M335 HydrophobicContact CE2-CG 4.04Å; Y331-M335 WeakPolarHBondContact O-CB 3.28Å; Y331-M335 WeakPolarHBondContact O-CG 3.18Å; Y331-M335 PolarHBondContact O-N 3.3Å; K333-M335 VanDerWaalsContact C-N 3.27Å; K333-M335 PolarHBondContact O-N 3.03Å
336	N	93.3	Very high	91.4	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.214	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	33.2	179.1	-63.5	-73.9	0	0	0	111.4	H251 K332 K333 V334 K338 E339 T340	H251-N336 PolarHBondContact O-ND2 3.01Å; K332-N336 WeakPolarHBondContact O-CB 3.42Å; K332-N336 PolarHBondContact O-N 3.09Å; K332-N336 VanDerWaalsContact O-N 3.12Å; K332-N336 PolarHBondContact O-ND2 2.97Å; K333-N336 CarbonylContact O-C 3.48Å; K333-N336 PolarHBondContact O-N 2.89Å; V334-N336 VanDerWaalsContact C-N 3.31Å; V334-N336 PolarHBondContact O-N 2.62Å; N336-K338 PolarHBondContact O-N 2.95Å; N336-E339 PolarHBondContact O-N 3.47Å; N336-T340 HydrophobicContact CB-CG2 4.35Å; N336-T340 PolarHBondContact O-N 3.09Å; N336-T340 VanDerWaalsContact O-N 3.1Å; N336-T340 PolarHBondContact O-OG1 3.45Å
337	W	94.9	Very high	91.8	Very high	38 Å²	38	49.5 Å²	49.5	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-54.4	-29.8	-172.3	63.4	-94.5	0	0	0	114	W306 F322 K333 V334 E339 T340 L341 C361 C362 E363	W306-W337 HydrophobicContact CH2-CB 3.77Å; W306-W337 AromaticContact CH2-CD1 3.82Å; W306-W337 AromaticContact CH2-CD2 3.98Å; W306-W337 HydrophobicContact CH2-CD2 3.98Å; W306-W337 AromaticContact CH2-CG 3.57Å; W306-W337 HydrophobicContact CH2-CG 3.57Å; W306-W337 HydrophobicContact CZ2-CB 4.35Å; W306-W337 HydrophobicContact CZ3-CD2 4.31Å; W306-W337 HydrophobicContact CZ3-CG 4.31Å; F322-W337 HydrophobicContact CE1-CB 3.81Å; F322-W337 HydrophobicContact CZ-CB 3.83Å; K333-W337 WeakPolarHBondContact O-CA 3.37Å; K333-W337 PolarHBondContact O-N 3.02Å; V334-W337 WeakPolarHBondContact O-CB 3.26Å; V334-W337 VanDerWaalsContact O-CD1 3.3Å; V334-W337 PolarHBondContact O-N 2.94Å; W337-E339 PolarHBondContact O-N 2.98Å; W337-T340 WeakPolarHBondContact CA-OG1 3.31Å; W337-T340 PolarHBondContact O-N 3.04Å; W337-L341 WeakPolarHBondContact O-CB 3.28Å; W337-L341 PolarHBondContact O-N 2.95Å; W337-C361 VanDerWaalsContact CE3-O 3.28Å; W337-C361 VanDerWaalsContact CZ3-O 3.32Å; W337-C361 WeakPolarHBondContact CZ3-O 3.46Å; W337-C362 VanDerWaalsContact CH2-CA 3.47Å; W337-C362 HydrophobicContact CH2-CB 3.9Å; W337-C362 HydrophobicContact CZ3-CB 4.29Å; W337-E363 WeakPolarHBondContact CH2-OE2 3.3Å; W337-E363 HydrophobicContact CZ2-CG 3.96Å
338	K	94.1	Very high	92.1	Very high	142 Å²	142	54.3 Å²	54.3	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-57.5	-31.6	176.1	-67.9	-175.2	177.9	-172.3	0	113.3	N336 E363	N336-K338 PolarHBondContact O-N 2.95Å; K338-E363 WeakPolarHBondContact CE-OE1 3.44Å; K338-E363 IonicContact NZ-OE1 3.85Å; K338-E363 PolarHBondContact NZ-OE1 3.36Å
339	E	92.6	Very high	92.6	Very high	132 Å²	132	52.2 Å²	52.2	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-100.6	-29.7	179.2	-63.8	-179.7	-174	0	0	111.9	N336 W337	N336-E339 PolarHBondContact O-N 3.47Å; W337-E339 PolarHBondContact O-N 2.98Å
340	T	94.3	Very high	93	Very high	20 Å²	20	51.8 Å²	51.8	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-98.9	-15.1	-171.4	65.7	0	0	0	0	114.8	K333 N336 W337 V342	K333-T340 HydrophobicContact CB-CG2 4.27Å; K333-T340 HydrophobicContact CG-CG2 4.16Å; K333-T340 PolarHBondContact O-OG1 2.94Å; N336-T340 HydrophobicContact CB-CG2 4.35Å; N336-T340 PolarHBondContact O-N 3.09Å; N336-T340 VanDerWaalsContact O-N 3.1Å; N336-T340 PolarHBondContact O-OG1 3.45Å; W337-T340 WeakPolarHBondContact CA-OG1 3.31Å; W337-T340 PolarHBondContact O-N 3.04Å; T340-V342 PolarHBondContact O-N 2.83Å; T340-V342 VanDerWaalsContact O-N 3.14Å
341	L	96.3	Very high	93.4	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.084	30%	0.299	C	S	.	.			trans	-78.4	93	171.8	-179.4	58.7	0	0	0	108.9	Y313 P321 F322 W337 L358 C361	Y313-L341 HydrophobicContact CD2-CD1 4.3Å; Y313-L341 HydrophobicContact CE2-CD1 4.36Å; P321-L341 HydrophobicContact CB-CD1 3.45Å; P321-L341 VanDerWaalsContact CB-CD1 3.45Å; P321-L341 HydrophobicContact CG-CD1 3.97Å; F322-L341 HydrophobicContact CE1-CB 4.02Å; F322-L341 HydrophobicContact CZ-CB 4.24Å; F322-L341 HydrophobicContact CZ-CD1 4.27Å; W337-L341 WeakPolarHBondContact O-CB 3.28Å; W337-L341 PolarHBondContact O-N 2.95Å; L341-L358 HydrophobicContact CD2-CD2 3.78Å; L341-L358 HydrophobicContact CG-CD2 4.28Å; L341-C361 HydrophobicContact CD2-CB 3.58Å
342	V	94.7	Very high	93.8	Very high	89 Å²	89	61 Å²	61	54%	0.539	32%	0.315	S	S	.	.			trans	-126.8	140.4	-176.7	-64.7	0	0	0	0	110.6	Y313 T340	Y313-V342 PolarHBondContact OH-O 3.5Å; T340-V342 PolarHBondContact O-N 2.83Å; T340-V342 VanDerWaalsContact O-N 3.14Å
343	F	95.5	Very high	94.2	Very high	46 Å²	46	59.2 Å²	59.2	20%	0.202	31%	0.307	C	S	.	.			trans	-91.8	127.8	175.6	-61.4	-85.1	0	0	0	109.8	Y313 I349 K354 I357 L358	Y313-F343 HydrophobicContact CD2-CD1 4.17Å; Y313-F343 AromaticContact CD2-CE1 3.82Å; Y313-F343 HydrophobicContact CD2-CE1 3.82Å; Y313-F343 AromaticContact CE2-CD1 3.79Å; Y313-F343 HydrophobicContact CE2-CD1 3.79Å; Y313-F343 AromaticContact CE2-CE1 3.89Å; Y313-F343 HydrophobicContact CE2-CE1 3.89Å; F343-I349 HydrophobicContact CD1-CD1 4.2Å; F343-I349 HydrophobicContact CE1-CD1 4.15Å; F343-K354 HydrophobicContact CD1-CG 4.04Å; F343-K354 HydrophobicContact CD2-CD 4.3Å; F343-K354 HydrophobicContact CD2-CG 4.26Å; F343-K354 HydrophobicContact CE1-CB 4.3Å; F343-K354 HydrophobicContact CE1-CG 3.98Å; F343-K354 HydrophobicContact CE2-CB 4.12Å; F343-K354 HydrophobicContact CE2-CG 4.2Å; F343-K354 HydrophobicContact CG-CD 4.35Å; F343-K354 HydrophobicContact CG-CG 4.18Å; F343-K354 HydrophobicContact CZ-CB 3.94Å; F343-K354 HydrophobicContact CZ-CG 4.06Å; F343-I357 HydrophobicContact CE1-CB 4.39Å; F343-I357 HydrophobicContact CE1-CD1 3.95Å; F343-I357 HydrophobicContact CE1-CG2 4.19Å; F343-I357 HydrophobicContact CZ-CB 4.14Å; F343-I357 HydrophobicContact CZ-CG2 3.93Å; F343-L358 HydrophobicContact CE2-CD1 4.28Å; F343-L358 HydrophobicContact CE2-CD2 4.01Å; F343-L358 HydrophobicContact CE2-CG 4.02Å; F343-L358 HydrophobicContact CZ-CD2 4.43Å; F343-L358 HydrophobicContact CZ-CG 4.25Å
344	P	92.9	Very high	94.4	Very high	17 Å²	17	61 Å²	61	11%	0.11	32%	0.315	C	S	.	.			trans	-63.8	126.8	178.6	-19.6	31.1	0	0	0	110.8	Y313 I317 Y319 E346 V347	Y313-P344 WeakPolarHBondContact OH-CD 3.37Å; I317-P344 HydrophobicContact CG2-CG 3.99Å; Y319-P344 VanDerWaalsContact OH-CG 3.28Å; Y319-P344 WeakPolarHBondContact OH-CG 2.97Å; P344-E346 PolarHBondContact O-N 3.2Å; P344-E346 VanDerWaalsContact O-N 3.16Å; P344-V347 HydrophobicContact CB-CB 4.4Å; P344-V347 HydrophobicContact CB-CG2 3.92Å; P344-V347 HydrophobicContact CG-CG2 4.26Å; P344-V347 PolarHBondContact O-N 2.84Å; P344-V347 VanDerWaalsContact O-N 3.14Å
345	P	89.9	Confident	94.6	Very high	131 Å²	131	65.6 Å²	65.6	85%	0.851	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.8	-175.6	26.3	-35.4	0	0	0	113.2
346	E	89.6	Confident	95	Very high	104 Å²	104	63.9 Å²	63.9	49%	0.486	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10	179.1	71.3	-88.9	-151.6	0	0	114.7	S264 P344	S264-E346 WeakPolarHBondContact CB-OE1 3.41Å; S264-E346 PolarHBondContact N-OE1 2.76Å; P344-E346 PolarHBondContact O-N 3.2Å; P344-E346 VanDerWaalsContact O-N 3.16Å
347	V	91.8	Very high	95.2	Very high	32 Å²	32	62 Å²	62	19%	0.194	32%	0.318	C	S	.	.	S	Bend	trans	-98.1	124.4	-178	179.8	0	0	0	0	109.9	S264 I317 P344 I349	S264-V347 WeakPolarHBondContact OG-CG2 3.39Å; I317-V347 HydrophobicContact CD1-CB 4.24Å; I317-V347 HydrophobicContact CD1-CG1 3.63Å; P344-V347 HydrophobicContact CB-CB 4.4Å; P344-V347 HydrophobicContact CB-CG2 3.92Å; P344-V347 HydrophobicContact CG-CG2 4.26Å; P344-V347 PolarHBondContact O-N 2.84Å; P344-V347 VanDerWaalsContact O-N 3.14Å; V347-I349 PolarHBondContact O-N 2.92Å
348	P	92.2	Very high	95.4	Very high	123 Å²	123	63.9 Å²	63.9	80%	0.799	33%	0.33	S	S	*	.			trans	-71.3	123.1	177.5	29.3	-33.4	0	0	0	110.4
349	I	96.3	Very high	95.5	Very high	23 Å²	23	61.5 Å²	61.5	12%	0.118	32%	0.318	C	S	.	.			trans	-152.1	133.3	175.5	-179.1	174.1	0	0	0	109.1	L316 I317 F343 V347 A353 K354 I357	L316-I349 HydrophobicContact CB-CD1 4.24Å; L316-I349 HydrophobicContact CD1-CD1 3.76Å; L316-I349 HydrophobicContact CD1-CG1 4.23Å; I317-I349 HydrophobicContact CD1-CD1 4.22Å; F343-I349 HydrophobicContact CD1-CD1 4.2Å; F343-I349 HydrophobicContact CE1-CD1 4.15Å; V347-I349 PolarHBondContact O-N 2.92Å; I349-A353 HydrophobicContact CD1-CB 4.03Å; I349-A353 HydrophobicContact CG1-CB 3.73Å; I349-K354 HydrophobicContact CD1-CG 4.08Å; I349-K354 HydrophobicContact CG1-CG 4.13Å; I349-K354 HydrophobicContact CG2-CD 4.31Å; I349-K354 VanDerWaalsContact CG2-CE 3.48Å; I349-K354 HydrophobicContact CG2-CG 3.99Å; I349-K354 WeakPolarHBondContact O-CE 3.31Å; I349-I357 HydrophobicContact CD1-CD1 4.05Å
350	S	97.8	Very high	95.8	Very high	35 Å²	35	55.2 Å²	55.2	25%	0.245	29%	0.288	C	S	.	.			trans	-68.3	155.9	-178.8	76.6	0	0	0	0	111.9	E186 R352 A353 K354	E186-S350 VanDerWaalsContact CD-OG 3.25Å; E186-S350 WeakPolarHBondContact OE1-CB 3.17Å; E186-S350 PolarHBondContact OE1-N 3.13Å; E186-S350 PolarHBondContact OE1-OG 2.91Å; E186-S350 WeakPolarHBondContact OE2-CB 3.36Å; E186-S350 PolarHBondContact OE2-OG 2.94Å; S350-R352 VanDerWaalsContact C-N 3.27Å; S350-R352 PolarHBondContact O-N 3.46Å; S350-A353 PolarHBondContact O-N 2.93Å; S350-A353 WeakPolarHBondContact OG-CB 3.41Å; S350-A353 PolarHBondContact OG-N 3.32Å; S350-K354 WeakPolarHBondContact O-CG 3.41Å; S350-K354 PolarHBondContact O-N 3.02Å; S350-K354 VanDerWaalsContact O-N 3.11Å
351	E	97.6	Very high	96	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-65	-35	178.3	-157.2	56.9	-149.9	0	0	111.7	A353 K354 E355	E351-A353 VanDerWaalsContact C-N 3.32Å; E351-A353 PolarHBondContact O-N 3.1Å; E351-K354 PolarHBondContact O-N 2.86Å; E351-K354 IonicContact OE2-NZ 3.05Å; E351-K354 PolarHBondContact OE2-NZ 3.32Å; E351-E355 WeakPolarHBondContact O-CB 3.33Å; E351-E355 WeakPolarHBondContact O-CG 3.49Å; E351-E355 PolarHBondContact O-N 3.04Å
352	R	97.9	Very high	95.9	Very high	96 Å²	96	54.2 Å²	54.2	36%	0.362	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-42.8	175.9	-57.5	176.2	87	158.9	16.5	111.5	S350 L356 P380 F381 E383	S350-R352 VanDerWaalsContact C-N 3.27Å; S350-R352 PolarHBondContact O-N 3.46Å; R352-L356 WeakPolarHBondContact O-CB 3.26Å; R352-L356 PolarHBondContact O-N 2.79Å; R352-L356 VanDerWaalsContact O-N 3.1Å; R352-P380 VanDerWaalsContact NE-C 3.27Å; R352-P380 PolarHBondContact NE-O 3.45Å; R352-P380 VanDerWaalsContact NH2-CB 3.33Å; R352-P380 PolarHBondContact NH2-O 2.82Å; R352-F381 HydrophobicContact CB-CB 4.3Å; R352-F381 HydrophobicContact CB-CD2 4.31Å; R352-E383 IonicContact CZ-OE2 3.71Å; R352-E383 IonicContact NH1-OE2 3.14Å; R352-E383 PolarHBondContact NH1-OE2 3.44Å; R352-E383 IonicContact NH2-OE2 3.62Å; R352-E383 PolarHBondContact NH2-OE2 3.49Å
353	A	98.3	Very high	95.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-44.7	178.4	0	0	0	0	0	111.7	M312 L316 I349 S350 E351 L356 I357 F381	M312-A353 HydrophobicContact CE-CB 3.94Å; L316-A353 HydrophobicContact CD1-CB 3.83Å; I349-A353 HydrophobicContact CD1-CB 4.03Å; I349-A353 HydrophobicContact CG1-CB 3.73Å; S350-A353 PolarHBondContact O-N 2.93Å; S350-A353 WeakPolarHBondContact OG-CB 3.41Å; S350-A353 PolarHBondContact OG-N 3.32Å; E351-A353 VanDerWaalsContact C-N 3.32Å; E351-A353 PolarHBondContact O-N 3.1Å; A353-L356 PolarHBondContact O-N 3.13Å; A353-I357 WeakPolarHBondContact O-CG1 3.12Å; A353-I357 PolarHBondContact O-N 3.31Å; A353-F381 HydrophobicContact CB-CD2 3.92Å; A353-F381 HydrophobicContact CB-CE2 3.73Å
354	K	98.1	Very high	95.4	Very high	53 Å²	53	52 Å²	52	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-48.7	175.9	-66.6	179.7	-158	157.2	0	111.9	F343 I349 S350 E351 L356 I357 L358	F343-K354 HydrophobicContact CD1-CG 4.04Å; F343-K354 HydrophobicContact CD2-CD 4.3Å; F343-K354 HydrophobicContact CD2-CG 4.26Å; F343-K354 HydrophobicContact CE1-CB 4.3Å; F343-K354 HydrophobicContact CE1-CG 3.98Å; F343-K354 HydrophobicContact CE2-CB 4.12Å; F343-K354 HydrophobicContact CE2-CG 4.2Å; F343-K354 HydrophobicContact CG-CD 4.35Å; F343-K354 HydrophobicContact CG-CG 4.18Å; F343-K354 HydrophobicContact CZ-CB 3.94Å; F343-K354 HydrophobicContact CZ-CG 4.06Å; I349-K354 HydrophobicContact CD1-CG 4.08Å; I349-K354 HydrophobicContact CG1-CG 4.13Å; I349-K354 HydrophobicContact CG2-CD 4.31Å; I349-K354 VanDerWaalsContact CG2-CE 3.48Å; I349-K354 HydrophobicContact CG2-CG 3.99Å; I349-K354 WeakPolarHBondContact O-CE 3.31Å; S350-K354 WeakPolarHBondContact O-CG 3.41Å; S350-K354 PolarHBondContact O-N 3.02Å; S350-K354 VanDerWaalsContact O-N 3.11Å; E351-K354 PolarHBondContact O-N 2.86Å; E351-K354 IonicContact OE2-NZ 3.05Å; E351-K354 PolarHBondContact OE2-NZ 3.32Å; K354-L356 VanDerWaalsContact C-N 3.31Å; K354-L356 PolarHBondContact O-N 3.22Å; K354-I357 PolarHBondContact O-N 3.1Å; K354-L358 WeakPolarHBondContact O-CG 3.48Å; K354-L358 PolarHBondContact O-N 3Å
355	E	97.8	Very high	95	Very high	98 Å²	98	57.7 Å²	57.7	46%	0.458	30%	0.301	S	S	.	.	H	α-helix	trans	-57.8	-44	179.1	-77.3	-179.2	175.6	0	0	111.4	E351 L358 R359	E351-E355 WeakPolarHBondContact O-CB 3.33Å; E351-E355 WeakPolarHBondContact O-CG 3.49Å; E351-E355 PolarHBondContact O-N 3.04Å; E355-L358 PolarHBondContact O-N 3.09Å; E355-R359 WeakPolarHBondContact O-CB 3.45Å; E355-R359 WeakPolarHBondContact O-CG 3.4Å; E355-R359 PolarHBondContact O-N 3.01Å
356	L	98.4	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-44.2	177.3	-179.7	57.4	0	0	0	112.1	M312 R352 A353 K354 L358 R359 F360 I368 N379 F381 F382	M312-L356 HydrophobicContact CE-CB 4.24Å; M312-L356 HydrophobicContact CE-CD2 3.96Å; M312-L356 HydrophobicContact CE-CG 4.32Å; M312-L356 HydrophobicContact SD-CB 4.42Å; M312-L356 HydrophobicContact SD-CD2 3.75Å; M312-L356 HydrophobicContact SD-CG 3.96Å; R352-L356 WeakPolarHBondContact O-CB 3.26Å; R352-L356 PolarHBondContact O-N 2.79Å; R352-L356 VanDerWaalsContact O-N 3.1Å; A353-L356 PolarHBondContact O-N 3.13Å; K354-L356 VanDerWaalsContact C-N 3.31Å; K354-L356 PolarHBondContact O-N 3.22Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.28Å; L356-R359 PolarHBondContact O-N 3.42Å; L356-R359 VanDerWaalsContact O-N 3.16Å; L356-F360 HydrophobicContact CD1-CD2 3.82Å; L356-F360 HydrophobicContact CD1-CE2 3.44Å; L356-F360 VanDerWaalsContact CD1-CE2 3.44Å; L356-F360 HydrophobicContact CD1-CZ 3.9Å; L356-F360 HydrophobicContact CD2-CE2 3.84Å; L356-F360 HydrophobicContact CG-CD2 3.79Å; L356-F360 HydrophobicContact CG-CE2 3.47Å; L356-F360 VanDerWaalsContact CG-CE2 3.47Å; L356-F360 HydrophobicContact CG-CZ 4.37Å; L356-F360 WeakPolarHBondContact O-CD2 3.3Å; L356-F360 PolarHBondContact O-N 3.4Å; L356-I368 HydrophobicContact CD1-CD1 3.98Å; L356-N379 HydrophobicContact CD1-CB 4.21Å; L356-F381 HydrophobicContact CB-CB 4.22Å; L356-F381 HydrophobicContact CD2-CB 3.71Å; L356-F381 HydrophobicContact CD2-CD1 3.43Å; L356-F381 VanDerWaalsContact CD2-CD1 3.43Å; L356-F381 HydrophobicContact CD2-CE1 4.31Å; L356-F381 HydrophobicContact CD2-CG 3.8Å; L356-F382 HydrophobicContact CD1-CE2 4.41Å; L356-F382 HydrophobicContact CD2-CD2 4.38Å; L356-F382 HydrophobicContact CD2-CE1 4.42Å; L356-F382 HydrophobicContact CD2-CE2 3.54Å; L356-F382 HydrophobicContact CD2-CZ 3.57Å
357	I	98.6	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-44.6	175.7	-71.5	165.7	0	0	0	110.8	M312 Y313 L316 F343 I349 A353 K354 R359 F360 C361	M312-I357 HydrophobicContact CB-CG1 4.25Å; M312-I357 HydrophobicContact CE-CD1 4.43Å; M312-I357 HydrophobicContact CE-CG1 4.11Å; M312-I357 HydrophobicContact CG-CD1 4.16Å; M312-I357 HydrophobicContact CG-CG1 3.85Å; M312-I357 HydrophobicContact SD-CG1 3.81Å; Y313-I357 HydrophobicContact CD2-CD1 4.36Å; Y313-I357 HydrophobicContact CD2-CG2 4.2Å; L316-I357 HydrophobicContact CD1-CD1 4.21Å; F343-I357 HydrophobicContact CE1-CB 4.39Å; F343-I357 HydrophobicContact CE1-CD1 3.95Å; F343-I357 HydrophobicContact CE1-CG2 4.19Å; F343-I357 HydrophobicContact CZ-CB 4.14Å; F343-I357 HydrophobicContact CZ-CG2 3.93Å; I349-I357 HydrophobicContact CD1-CD1 4.05Å; A353-I357 WeakPolarHBondContact O-CG1 3.12Å; A353-I357 PolarHBondContact O-N 3.31Å; K354-I357 PolarHBondContact O-N 3.1Å; I357-R359 VanDerWaalsContact C-N 3.32Å; I357-R359 PolarHBondContact O-N 3.4Å; I357-F360 PolarHBondContact O-N 2.72Å; I357-C361 WeakPolarHBondContact O-CB 3.47Å; I357-C361 PolarHBondContact O-N 3.14Å
358	L	98.1	Very high	95.5	Very high	77 Å²	77	51.7 Å²	51.7	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-64.9	-35.3	177.6	-69.1	174.1	0	0	0	112.2	L341 F343 K354 E355 L356 C361 C362	L341-L358 HydrophobicContact CD2-CD2 3.78Å; L341-L358 HydrophobicContact CG-CD2 4.28Å; F343-L358 HydrophobicContact CE2-CD1 4.28Å; F343-L358 HydrophobicContact CE2-CD2 4.01Å; F343-L358 HydrophobicContact CE2-CG 4.02Å; F343-L358 HydrophobicContact CZ-CD2 4.43Å; F343-L358 HydrophobicContact CZ-CG 4.25Å; K354-L358 WeakPolarHBondContact O-CG 3.48Å; K354-L358 PolarHBondContact O-N 3Å; E355-L358 PolarHBondContact O-N 3.09Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.28Å; L358-C361 CarbonylContact O-C 3.48Å; L358-C361 PolarHBondContact O-N 3.42Å; L358-C362 WeakPolarHBondContact O-CB 3.36Å
359	R	97.6	Very high	95.5	Very high	92 Å²	92	46 Å²	46	35%	0.347	22%	0.222	S	C	.	.	H	α-helix	trans	-70.8	-29.2	175.4	-72.2	-111.4	-70.5	155.5	-1.2	113.3	E355 L356 I357 C362 I368 E375	E355-R359 WeakPolarHBondContact O-CB 3.45Å; E355-R359 WeakPolarHBondContact O-CG 3.4Å; E355-R359 PolarHBondContact O-N 3.01Å; L356-R359 PolarHBondContact O-N 3.42Å; L356-R359 VanDerWaalsContact O-N 3.16Å; I357-R359 VanDerWaalsContact C-N 3.32Å; I357-R359 PolarHBondContact O-N 3.4Å; R359-C362 PolarHBondContact O-SG 3Å; R359-C362 VanDerWaalsContact O-SG 3.41Å; R359-I368 HydrophobicContact CB-CB 4.15Å; R359-I368 HydrophobicContact CB-CG2 4.15Å; R359-I368 WeakPolarHBondContact O-CG2 3.15Å; R359-I368 PolarHBondContact O-N 2.95Å; R359-I368 VanDerWaalsContact O-N 3.12Å; R359-E375 IonicContact CZ-OE1 2.65Å; R359-E375 IonicContact NH1-OE1 3.95Å; R359-E375 PolarHBondContact NH1-OE1 3.48Å; R359-E375 IonicContact NH2-OE1 3.91Å; R359-E375 PolarHBondContact NH2-OE1 3.09Å
360	F	98.3	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-77.2	-43.6	170.1	-77.1	-54	0	0	0	112	W305 L308 M312 L356 I357 C362 R367 I368 I376	W305-F360 HydrophobicContact CB-CD1 4.05Å; W305-F360 HydrophobicContact CB-CE1 4.33Å; W305-F360 VanDerWaalsContact O-CD1 3.3Å; W305-F360 WeakPolarHBondContact O-CD1 3.43Å; L308-F360 HydrophobicContact CD2-CE1 4.38Å; L308-F360 HydrophobicContact CD2-CZ 4.06Å; L308-F360 HydrophobicContact CG-CZ 4.48Å; M312-F360 HydrophobicContact SD-CE2 4.37Å; L356-F360 HydrophobicContact CD1-CD2 3.82Å; L356-F360 HydrophobicContact CD1-CE2 3.44Å; L356-F360 VanDerWaalsContact CD1-CE2 3.44Å; L356-F360 HydrophobicContact CD1-CZ 3.9Å; L356-F360 HydrophobicContact CD2-CE2 3.84Å; L356-F360 HydrophobicContact CG-CD2 3.79Å; L356-F360 HydrophobicContact CG-CE2 3.47Å; L356-F360 VanDerWaalsContact CG-CE2 3.47Å; L356-F360 HydrophobicContact CG-CZ 4.37Å; L356-F360 WeakPolarHBondContact O-CD2 3.3Å; L356-F360 PolarHBondContact O-N 3.4Å; I357-F360 PolarHBondContact O-N 2.72Å; F360-C362 PolarHBondContact O-N 2.88Å; F360-R367 WeakPolarHBondContact O-CD 3.16Å; F360-R367 VanDerWaalsContact O-CG 3.3Å; F360-R367 WeakPolarHBondContact O-CG 3.46Å; F360-R367 PolarHBondContact O-NE 3.5Å; F360-R367 VanDerWaalsContact O-NE 3.13Å; F360-I368 HydrophobicContact CD1-CG2 3.33Å; F360-I368 HydrophobicContact CE1-CG2 3.56Å; F360-I368 HydrophobicContact CG-CG2 3.99Å; F360-I368 HydrophobicContact CZ-CG2 4.4Å; F360-I376 HydrophobicContact CE1-CD1 4.17Å; F360-I376 HydrophobicContact CE1-CG1 4.32Å; F360-I376 HydrophobicContact CE1-CG2 4.12Å; F360-I376 HydrophobicContact CZ-CG2 3.78Å
361	C	97.4	Very high	94.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-97.5	57.2	-173.8	-57.4	0	0	0	0	112.1	W306 W337 L341 I357 L358	W306-C361 VanDerWaalsContact CE3-CA 3.49Å; W306-C361 HydrophobicContact CE3-CB 4.2Å; W306-C361 HydrophobicContact CH2-CB 4.2Å; W306-C361 VanDerWaalsContact CZ3-CA 3.49Å; W306-C361 HydrophobicContact CZ3-CB 4.03Å; W337-C361 VanDerWaalsContact CE3-O 3.28Å; W337-C361 VanDerWaalsContact CZ3-O 3.32Å; W337-C361 WeakPolarHBondContact CZ3-O 3.46Å; L341-C361 HydrophobicContact CD2-CB 3.58Å; I357-C361 WeakPolarHBondContact O-CB 3.47Å; I357-C361 PolarHBondContact O-N 3.14Å; L358-C361 CarbonylContact O-C 3.48Å; L358-C361 PolarHBondContact O-N 3.42Å
362	C	95.3	Very high	94.4	Very high	15 Å²	15	47.4 Å²	47.4	10%	0.101	25%	0.249	C	C	.	.	S	Bend	trans	-128.8	-172.9	174.2	67	0	0	0	0	112.7	W306 W337 L358 R359 F360 G364 R367	W306-C362 WeakPolarHBondContact CZ3-O 3.46Å; W337-C362 VanDerWaalsContact CH2-CA 3.47Å; W337-C362 HydrophobicContact CH2-CB 3.9Å; W337-C362 HydrophobicContact CZ3-CB 4.29Å; L358-C362 WeakPolarHBondContact O-CB 3.36Å; R359-C362 PolarHBondContact O-SG 3Å; R359-C362 VanDerWaalsContact O-SG 3.41Å; F360-C362 PolarHBondContact O-N 2.88Å; C362-G364 PolarHBondContact O-N 2.98Å; C362-R367 PolarHBondContact O-NH2 3.19Å; C362-R367 VanDerWaalsContact SG-CA 3.55Å
363	E	91.6	Very high	94.2	Very high	75 Å²	75	43.5 Å²	43.5	35%	0.35	24%	0.236	S	C	.	.			trans	-53.6	138.5	175.4	-65.3	91.9	163.6	0	0	111.7	W337 K338 D365 H366 R367	W337-E363 WeakPolarHBondContact CH2-OE2 3.3Å; W337-E363 HydrophobicContact CZ2-CG 3.96Å; K338-E363 WeakPolarHBondContact CE-OE1 3.44Å; K338-E363 IonicContact NZ-OE1 3.85Å; K338-E363 PolarHBondContact NZ-OE1 3.36Å; E363-D365 VanDerWaalsContact C-N 3.26Å; E363-D365 PolarHBondContact O-N 3.4Å; E363-D365 VanDerWaalsContact O-N 3.13Å; E363-H366 PolarHBondContact O-N 3.36Å; E363-R367 PolarHBondContact O-N 2.86Å; E363-R367 VanDerWaalsContact O-N 3.07Å
364	G	87.2	Confident	94.2	Very high	15 Å²	15	47.7 Å²	47.7	16%	0.155	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-52.8	-39.1	-174.8	0	0	0	0	0	114.5	L302 C362 H366 R367	L302-G364 VanDerWaalsContact CD1-O 3.26Å; L302-G364 WeakPolarHBondContact CD1-O 3.35Å; C362-G364 PolarHBondContact O-N 2.98Å; G364-H366 VanDerWaalsContact C-N 3.33Å; G364-H366 PolarHBondContact O-N 3.41Å; G364-R367 WeakPolarHBondContact O-CB 3.33Å; G364-R367 PolarHBondContact O-N 2.97Å
365	D	84.9	Confident	94.1	Very high	136 Å²	136	47.1 Å²	47.1	73%	0.727	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-72.8	-23	-177.9	-62.5	-29.4	0	0	0	113.8	E363	E363-D365 VanDerWaalsContact C-N 3.26Å; E363-D365 PolarHBondContact O-N 3.4Å; E363-D365 VanDerWaalsContact O-N 3.13Å
366	H	90.3	Very high	94.1	Very high	141 Å²	141	42.5 Å²	42.5	65%	0.653	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-105.8	1.1	-180	-59.9	99.8	0	0	0	112.7	E363 G364	E363-H366 PolarHBondContact O-N 3.36Å; G364-H366 VanDerWaalsContact C-N 3.33Å; G364-H366 PolarHBondContact O-N 3.41Å
367	R	95.6	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-66.3	135.7	-176.7	-166.4	173.9	-60.4	140.3	5.7	110.9	E292 L302 W305 F360 C362 E363 G364 G369 A370	E292-R367 IonicContact OE1-CZ 3.76Å; E292-R367 IonicContact OE1-NH1 2.69Å; E292-R367 PolarHBondContact OE1-NH1 3.12Å; E292-R367 IonicContact OE1-NH2 3.72Å; E292-R367 PolarHBondContact OE1-NH2 3.43Å; E292-R367 VanDerWaalsContact OE1-NH2 3.09Å; E292-R367 IonicContact OE2-CZ 4Å; E292-R367 IonicContact OE2-NH1 4Å; E292-R367 IonicContact OE2-NH2 2.62Å; E292-R367 PolarHBondContact OE2-NH2 3.03Å; L302-R367 WeakPolarHBondContact O-CD 3.46Å; L302-R367 PolarHBondContact O-NH1 2.84Å; W305-R367 HydrophobicContact CB-CG 4.47Å; F360-R367 WeakPolarHBondContact O-CD 3.16Å; F360-R367 VanDerWaalsContact O-CG 3.3Å; F360-R367 WeakPolarHBondContact O-CG 3.46Å; F360-R367 PolarHBondContact O-NE 3.5Å; F360-R367 VanDerWaalsContact O-NE 3.13Å; C362-R367 PolarHBondContact O-NH2 3.19Å; C362-R367 VanDerWaalsContact SG-CA 3.55Å; E363-R367 PolarHBondContact O-N 2.86Å; E363-R367 VanDerWaalsContact O-N 3.07Å; G364-R367 WeakPolarHBondContact O-CB 3.33Å; G364-R367 PolarHBondContact O-N 2.97Å; R367-G369 PolarHBondContact O-N 3.26Å; R367-A370 VanDerWaalsContact O-CB 3.23Å; R367-A370 WeakPolarHBondContact O-CB 3.47Å; R367-A370 PolarHBondContact O-N 3.45Å
368	I	95.2	Very high	93.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	135.3	174.3	-164.8	177.7	0	0	0	110.2	L356 R359 F360 E375 I376 N379	L356-I368 HydrophobicContact CD1-CD1 3.98Å; R359-I368 HydrophobicContact CB-CB 4.15Å; R359-I368 HydrophobicContact CB-CG2 4.15Å; R359-I368 WeakPolarHBondContact O-CG2 3.15Å; R359-I368 PolarHBondContact O-N 2.95Å; R359-I368 VanDerWaalsContact O-N 3.12Å; F360-I368 HydrophobicContact CD1-CG2 3.33Å; F360-I368 HydrophobicContact CE1-CG2 3.56Å; F360-I368 HydrophobicContact CG-CG2 3.99Å; F360-I368 HydrophobicContact CZ-CG2 4.4Å; I368-E375 HydrophobicContact CG1-CB 4.31Å; I368-E375 HydrophobicContact CG1-CG 3.91Å; I368-I376 HydrophobicContact CB-CG1 4.46Å; I368-I376 HydrophobicContact CD1-CB 4.37Å; I368-I376 HydrophobicContact CD1-CG1 4.17Å; I368-I376 HydrophobicContact CG1-CB 4.47Å; I368-I376 HydrophobicContact CG1-CG1 3.8Å; I368-I376 HydrophobicContact CG2-CG1 4.23Å; I368-N379 HydrophobicContact CD1-CB 4.33Å
369	G	92.3	Very high	93.9	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-6.2	-174.1	0	0	0	0	0	114.2	R367 T371 G372 E375	R367-G369 PolarHBondContact O-N 3.26Å; G369-T371 VanDerWaalsContact C-N 3.26Å; G369-T371 PolarHBondContact O-N 3.29Å; G369-G372 PolarHBondContact O-N 3.48Å; G369-G372 VanDerWaalsContact O-N 3.12Å; G369-E375 PolarHBondContact N-OE2 3.26Å
370	A	89.3	Confident	93.9	Very high	48 Å²	48	49 Å²	49	40%	0.397	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39	170.7	0	0	0	0	0	112.1	L302 R367 G372	L302-A370 HydrophobicContact CD1-CB 3.77Å; L302-A370 HydrophobicContact CD2-CB 4.48Å; R367-A370 VanDerWaalsContact O-CB 3.23Å; R367-A370 WeakPolarHBondContact O-CB 3.47Å; R367-A370 PolarHBondContact O-N 3.45Å; A370-G372 VanDerWaalsContact C-N 3.32Å
371	T	88.3	Confident	93.9	Very high	121 Å²	121	49.4 Å²	49.4	74%	0.742	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.2	177.8	62.6	0	0	0	0	113.7	G369 E375	G369-T371 VanDerWaalsContact C-N 3.26Å; G369-T371 PolarHBondContact O-N 3.29Å; T371-E375 PolarHBondContact OG1-OE2 3.2Å
372	G	91.1	Very high	93.9	Very high	27 Å²	27	49.7 Å²	49.7	28%	0.278	26%	0.264	S	S	.	.			trans	121.6	162.2	-177.4	0	0	0	0	0	113.2	G369 A370 E374 E375	G369-G372 PolarHBondContact O-N 3.48Å; G369-G372 VanDerWaalsContact O-N 3.12Å; A370-G372 VanDerWaalsContact C-N 3.32Å; G372-E374 PolarHBondContact O-N 2.95Å; G372-E374 VanDerWaalsContact O-N 3.16Å; G372-E375 WeakPolarHBondContact O-CB 3.3Å; G372-E375 PolarHBondContact O-N 3.47Å; G372-E375 VanDerWaalsContact O-N 3.14Å
373	V	95.3	Very high	94	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-27.6	-175.9	71.8	0	0	0	0	113.2	V197 D201 E375 I376 K377	V197-V373 HydrophobicContact CG1-CG2 3.48Å; V197-V373 VanDerWaalsContact CG1-CG2 3.48Å; D201-V373 HydrophobicContact CB-CB 4.14Å; D201-V373 HydrophobicContact CB-CG2 3.78Å; D201-V373 WeakPolarHBondContact OD2-CG1 3.32Å; V373-E375 PolarHBondContact O-N 3.01Å; V373-I376 WeakPolarHBondContact O-CA 3.34Å; V373-I376 WeakPolarHBondContact O-CB 3.28Å; V373-I376 PolarHBondContact O-N 3.42Å; V373-K377 HydrophobicContact CG2-CG 4.38Å; V373-K377 PolarHBondContact O-N 2.94Å
374	E	96.4	Very high	94.1	Very high	88 Å²	88	55 Å²	55	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-22.1	179.6	-62.5	-52.8	129.4	0	0	113.2	G372 K377 R378	G372-E374 PolarHBondContact O-N 2.95Å; G372-E374 VanDerWaalsContact O-N 3.16Å; E374-K377 WeakPolarHBondContact OE1-CD 3.27Å; E374-K377 WeakPolarHBondContact OE1-CE 3.19Å; E374-K377 IonicContact OE1-NZ 3.27Å; E374-K377 PolarHBondContact OE1-NZ 3.5Å; E374-R378 WeakPolarHBondContact O-CB 3.38Å; E374-R378 WeakPolarHBondContact O-CG 3.38Å; E374-R378 PolarHBondContact O-N 3.24Å; E374-R378 PolarHBondContact O-NE 3.18Å
375	E	96.4	Very high	94.6	Very high	41 Å²	41	55.6 Å²	55.6	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-67.4	-39.3	170.5	-164.3	-166.1	168.9	0	0	111.7	R359 I368 G369 T371 G372 V373	R359-E375 IonicContact CZ-OE1 2.65Å; R359-E375 IonicContact NH1-OE1 3.95Å; R359-E375 PolarHBondContact NH1-OE1 3.48Å; R359-E375 IonicContact NH2-OE1 3.91Å; R359-E375 PolarHBondContact NH2-OE1 3.09Å; I368-E375 HydrophobicContact CG1-CB 4.31Å; I368-E375 HydrophobicContact CG1-CG 3.91Å; G369-E375 PolarHBondContact N-OE2 3.26Å; T371-E375 PolarHBondContact OG1-OE2 3.2Å; G372-E375 WeakPolarHBondContact O-CB 3.3Å; G372-E375 PolarHBondContact O-N 3.47Å; G372-E375 VanDerWaalsContact O-N 3.14Å; V373-E375 PolarHBondContact O-N 3.01Å
376	I	97.5	Very high	95.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-50.4	176.4	-56.4	169.1	0	0	0	109.1	V197 W305 F360 I368 V373 R378 N379 F382	V197-I376 HydrophobicContact CG1-CB 4.4Å; V197-I376 HydrophobicContact CG1-CG2 4.04Å; V197-I376 HydrophobicContact CG2-CG2 3.71Å; W305-I376 HydrophobicContact CD2-CD1 3.65Å; W305-I376 HydrophobicContact CE3-CD1 3.86Å; W305-I376 HydrophobicContact CG-CD1 4.21Å; W305-I376 HydrophobicContact CH2-CD1 4.04Å; W305-I376 HydrophobicContact CZ2-CD1 3.83Å; W305-I376 HydrophobicContact CZ3-CD1 4.05Å; F360-I376 HydrophobicContact CE1-CD1 4.17Å; F360-I376 HydrophobicContact CE1-CG1 4.32Å; F360-I376 HydrophobicContact CE1-CG2 4.12Å; F360-I376 HydrophobicContact CZ-CG2 3.78Å; I368-I376 HydrophobicContact CB-CG1 4.46Å; I368-I376 HydrophobicContact CD1-CB 4.37Å; I368-I376 HydrophobicContact CD1-CG1 4.17Å; I368-I376 HydrophobicContact CG1-CB 4.47Å; I368-I376 HydrophobicContact CG1-CG1 3.8Å; I368-I376 HydrophobicContact CG2-CG1 4.23Å; V373-I376 WeakPolarHBondContact O-CA 3.34Å; V373-I376 WeakPolarHBondContact O-CB 3.28Å; V373-I376 PolarHBondContact O-N 3.42Å; I376-R378 PolarHBondContact O-N 3.29Å; I376-N379 VanDerWaalsContact O-CB 3.22Å; I376-N379 WeakPolarHBondContact O-CB 3.31Å; I376-N379 PolarHBondContact O-N 3.48Å; I376-F382 HydrophobicContact CG2-CE2 3.77Å; I376-F382 HydrophobicContact CG2-CZ 4.31Å; I376-F382 WeakPolarHBondContact O-CD2 3.26Å; I376-F382 WeakPolarHBondContact O-CE2 3.31Å
377	K	97.3	Very high	95.4	Very high	39 Å²	39	46.3 Å²	46.3	17%	0.17	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-32.2	-174.8	-65.9	-176.2	-170.7	164.4	0	114.1	V373 E374 N379 Y387	V373-K377 HydrophobicContact CG2-CG 4.38Å; V373-K377 PolarHBondContact O-N 2.94Å; E374-K377 WeakPolarHBondContact OE1-CD 3.27Å; E374-K377 WeakPolarHBondContact OE1-CE 3.19Å; E374-K377 IonicContact OE1-NZ 3.27Å; E374-K377 PolarHBondContact OE1-NZ 3.5Å; K377-N379 VanDerWaalsContact C-N 3.32Å; K377-Y387 VanDerWaalsContact CA-OH 3.3Å; K377-Y387 WeakPolarHBondContact CA-OH 3.23Å; K377-Y387 HydrophobicContact CB-CD2 4.25Å; K377-Y387 HydrophobicContact CB-CE1 4.27Å; K377-Y387 HydrophobicContact CB-CE2 3.66Å; K377-Y387 HydrophobicContact CD-CD1 4.07Å; K377-Y387 HydrophobicContact CD-CD2 4.15Å; K377-Y387 HydrophobicContact CD-CE1 4.24Å; K377-Y387 HydrophobicContact CD-CE2 4.33Å; K377-Y387 HydrophobicContact CD-CG 4.02Å; K377-Y387 HydrophobicContact CG-CD1 4.12Å; K377-Y387 HydrophobicContact CG-CD2 4.34Å; K377-Y387 HydrophobicContact CG-CE1 3.76Å; K377-Y387 HydrophobicContact CG-CE2 4.01Å; K377-Y387 HydrophobicContact CG-CG 4.38Å; K377-Y387 PolarHBondContact O-OH 3.37Å
378	R	96.6	Very high	95.2	Very high	191 Å²	191	52.9 Å²	52.9	72%	0.721	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-2	178.7	-72.1	-178	-74.1	-156.3	0.9	114	E374 I376	E374-R378 WeakPolarHBondContact O-CB 3.38Å; E374-R378 WeakPolarHBondContact O-CG 3.38Å; E374-R378 PolarHBondContact O-N 3.24Å; E374-R378 PolarHBondContact O-NE 3.18Å; I376-R378 PolarHBondContact O-N 3.29Å
379	N	97.8	Very high	95.2	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.064	31%	0.313	C	S	.	.	S	Bend	trans	-61.5	138.8	177.7	-176.2	-84.1	0	0	0	110.3	L356 I368 I376 K377 F381 F382	L356-N379 HydrophobicContact CD1-CB 4.21Å; I368-N379 HydrophobicContact CD1-CB 4.33Å; I376-N379 VanDerWaalsContact O-CB 3.22Å; I376-N379 WeakPolarHBondContact O-CB 3.31Å; I376-N379 PolarHBondContact O-N 3.48Å; K377-N379 VanDerWaalsContact C-N 3.32Å; N379-F381 PolarHBondContact O-N 2.84Å; N379-F381 VanDerWaalsContact O-N 3.1Å; N379-F381 VanDerWaalsContact OD1-CB 3.27Å; N379-F381 WeakPolarHBondContact OD1-CB 3.36Å; N379-F381 PolarHBondContact OD1-N 2.96Å; N379-F382 HydrophobicContact CB-CD2 4Å; N379-F382 HydrophobicContact CB-CE2 4.31Å; N379-F382 PolarHBondContact O-N 3.42Å
380	P	97.9	Very high	95.3	Very high	63 Å²	63	57.3 Å²	57.3	41%	0.409	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-50.9	-37.1	179.1	-30.2	36.6	0	0	0	113.5	R352 F382 E383	R352-P380 VanDerWaalsContact NE-C 3.27Å; R352-P380 PolarHBondContact NE-O 3.45Å; R352-P380 VanDerWaalsContact NH2-CB 3.33Å; R352-P380 PolarHBondContact NH2-O 2.82Å; P380-F382 PolarHBondContact O-N 2.85Å; P380-E383 WeakPolarHBondContact O-CB 3.36Å; P380-E383 PolarHBondContact O-N 3.09Å
381	F	98.4	Very high	95.5	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.039	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.5	-25.5	179.6	-178.5	-102.4	0	0	0	113.6	E186 T189 Q190 M312 R352 A353 L356 N379	E186-F381 HydrophobicContact CB-CE2 4.46Å; T189-F381 HydrophobicContact CG2-CZ 4.29Å; Q190-F381 HydrophobicContact CB-CE1 3.93Å; Q190-F381 HydrophobicContact CB-CZ 4.03Å; Q190-F381 HydrophobicContact CG-CD1 4.5Å; Q190-F381 HydrophobicContact CG-CE1 4.21Å; Q190-F381 PolarHBondContact NE2-O 3.26Å; M312-F381 HydrophobicContact CE-CD1 3.81Å; M312-F381 HydrophobicContact CE-CD2 4.05Å; M312-F381 HydrophobicContact CE-CE1 3.51Å; M312-F381 HydrophobicContact CE-CE2 3.8Å; M312-F381 HydrophobicContact CE-CG 4.06Å; M312-F381 HydrophobicContact CE-CZ 3.52Å; M312-F381 HydrophobicContact SD-CE1 4.38Å; R352-F381 HydrophobicContact CB-CB 4.3Å; R352-F381 HydrophobicContact CB-CD2 4.31Å; A353-F381 HydrophobicContact CB-CD2 3.92Å; A353-F381 HydrophobicContact CB-CE2 3.73Å; L356-F381 HydrophobicContact CB-CB 4.22Å; L356-F381 HydrophobicContact CD2-CB 3.71Å; L356-F381 HydrophobicContact CD2-CD1 3.43Å; L356-F381 VanDerWaalsContact CD2-CD1 3.43Å; L356-F381 HydrophobicContact CD2-CE1 4.31Å; L356-F381 HydrophobicContact CD2-CG 3.8Å; N379-F381 PolarHBondContact O-N 2.84Å; N379-F381 VanDerWaalsContact O-N 3.1Å; N379-F381 VanDerWaalsContact OD1-CB 3.27Å; N379-F381 WeakPolarHBondContact OD1-CB 3.36Å; N379-F381 PolarHBondContact OD1-N 2.96Å
382	F	98.2	Very high	95.7	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.026	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-95.6	18.6	177.9	-56.7	-68.3	0	0	0	114.6	Q190 V193 A194 V197 L356 I376 N379 P380 G384 V385 Y387	Q190-F382 HydrophobicContact CG-CD1 4.07Å; V193-F382 HydrophobicContact CB-CE1 4.26Å; V193-F382 HydrophobicContact CG1-CE1 3.87Å; V193-F382 HydrophobicContact CG1-CZ 3.72Å; A194-F382 HydrophobicContact CB-CD1 4.04Å; A194-F382 HydrophobicContact CB-CE1 4.07Å; V197-F382 HydrophobicContact CG2-CZ 4.45Å; L356-F382 HydrophobicContact CD1-CE2 4.41Å; L356-F382 HydrophobicContact CD2-CD2 4.38Å; L356-F382 HydrophobicContact CD2-CE1 4.42Å; L356-F382 HydrophobicContact CD2-CE2 3.54Å; L356-F382 HydrophobicContact CD2-CZ 3.57Å; I376-F382 HydrophobicContact CG2-CE2 3.77Å; I376-F382 HydrophobicContact CG2-CZ 4.31Å; I376-F382 WeakPolarHBondContact O-CD2 3.26Å; I376-F382 WeakPolarHBondContact O-CE2 3.31Å; N379-F382 HydrophobicContact CB-CD2 4Å; N379-F382 HydrophobicContact CB-CE2 4.31Å; N379-F382 PolarHBondContact O-N 3.42Å; P380-F382 PolarHBondContact O-N 2.85Å; F382-G384 PolarHBondContact O-N 3.44Å; F382-V385 HydrophobicContact CB-CB 4.36Å; F382-V385 HydrophobicContact CB-CG2 4.01Å; F382-V385 HydrophobicContact CD1-CG2 4.34Å; F382-V385 WeakPolarHBondContact O-CB 3.5Å; F382-V385 WeakPolarHBondContact O-CG2 3.4Å; F382-V385 PolarHBondContact O-N 2.85Å; F382-V385 VanDerWaalsContact O-N 3.12Å; F382-Y387 WeakPolarHBondContact CB-OH 3.44Å; F382-Y387 WeakPolarHBondContact CD2-OH 3.1Å; F382-Y387 WeakPolarHBondContact CG-OH 3.32Å
383	E	96.5	Very high	95.6	Very high	130 Å²	130	63 Å²	63	61%	0.607	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.5	173.1	-177.1	175.5	-158.4	0	0	110.9	Q190 R352 P380	Q190-E383 PolarHBondContact NE2-O 3.36Å; R352-E383 IonicContact CZ-OE2 3.71Å; R352-E383 IonicContact NH1-OE2 3.14Å; R352-E383 PolarHBondContact NH1-OE2 3.44Å; R352-E383 IonicContact NH2-OE2 3.62Å; R352-E383 PolarHBondContact NH2-OE2 3.49Å; P380-E383 WeakPolarHBondContact O-CB 3.36Å; P380-E383 PolarHBondContact O-N 3.09Å
384	G	94.8	Very high	95.5	Very high	73 Å²	73	68.2 Å²	68.2	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-8.2	-177.6	0	0	0	0	0	115.1	F382 D386	F382-G384 PolarHBondContact O-N 3.44Å; G384-D386 PolarHBondContact O-N 3.47Å
385	V	96.8	Very high	95.4	Very high	27 Å²	27	64.6 Å²	64.6	16%	0.164	33%	0.331	C	S	.	.			trans	-75.2	124.2	177.2	180	0	0	0	0	110.7	Q190 A194 F382 Y387 I390	Q190-V385 HydrophobicContact CG-CG2 3.72Å; A194-V385 HydrophobicContact CB-CG1 3.92Å; A194-V385 HydrophobicContact CB-CG2 4.46Å; F382-V385 HydrophobicContact CB-CB 4.36Å; F382-V385 HydrophobicContact CB-CG2 4.01Å; F382-V385 HydrophobicContact CD1-CG2 4.34Å; F382-V385 WeakPolarHBondContact O-CB 3.5Å; F382-V385 WeakPolarHBondContact O-CG2 3.4Å; F382-V385 PolarHBondContact O-N 2.85Å; F382-V385 VanDerWaalsContact O-N 3.12Å; V385-Y387 HydrophobicContact CB-CE2 4.13Å; V385-Y387 HydrophobicContact CG1-CD1 4.05Å; V385-Y387 HydrophobicContact CG1-CD2 4.17Å; V385-Y387 HydrophobicContact CG1-CE1 3.84Å; V385-Y387 HydrophobicContact CG1-CE2 3.95Å; V385-Y387 HydrophobicContact CG1-CG 4.21Å; V385-I390 HydrophobicContact CG1-CD1 4.05Å
386	D	95.9	Very high	95.3	Very high	41 Å²	41	64.6 Å²	64.6	22%	0.219	34%	0.338	C	S	.	.			trans	-96	96.8	170.7	-179.9	-13.8	0	0	0	109.3	G384 D388 H389 I390 R393	G384-D386 PolarHBondContact O-N 3.47Å; D386-D388 VanDerWaalsContact C-N 3.26Å; D386-D388 PolarHBondContact O-N 3.3Å; D386-D388 PolarHBondContact OD1-N 3.03Å; D386-D388 VanDerWaalsContact OD1-N 3.13Å; D386-H389 VanDerWaalsContact CG-ND1 3.3Å; D386-H389 PolarHBondContact O-N 3.46Å; D386-H389 IonicContact OD1-CG 2.73Å; D386-H389 PolarHBondContact OD1-N 3.17Å; D386-H389 VanDerWaalsContact OD1-N 3.15Å; D386-H389 IonicContact OD1-ND1 2.69Å; D386-H389 PolarHBondContact OD1-ND1 2.68Å; D386-H389 IonicContact OD2-CE1 3.81Å; D386-H389 IonicContact OD2-CG 3.18Å; D386-H389 IonicContact OD2-ND1 3.04Å; D386-H389 PolarHBondContact OD2-ND1 2.99Å; D386-I390 WeakPolarHBondContact O-CA 3.34Å; D386-I390 VanDerWaalsContact O-CB 3.26Å; D386-I390 WeakPolarHBondContact O-CB 3.26Å; D386-I390 PolarHBondContact O-N 2.8Å; D386-R393 IonicContact OD2-CZ 2.87Å; D386-R393 IonicContact OD2-NE 3.02Å; D386-R393 IonicContact OD2-NH2 3.55Å; D386-R393 PolarHBondContact OD2-NH2 2.69Å
387	Y	95	Very high	95.2	Very high	40 Å²	40	65.9 Å²	65.9	16%	0.157	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.9	-175.9	-69.5	-79.9	0	0	0	114.3	A194 L198 K377 F382 V385	A194-Y387 HydrophobicContact CB-CE1 4.1Å; L198-Y387 HydrophobicContact CD1-CD1 4.19Å; L198-Y387 HydrophobicContact CD2-CD1 3.97Å; L198-Y387 HydrophobicContact CG-CD1 4.17Å; K377-Y387 VanDerWaalsContact CA-OH 3.3Å; K377-Y387 WeakPolarHBondContact CA-OH 3.23Å; K377-Y387 HydrophobicContact CB-CD2 4.25Å; K377-Y387 HydrophobicContact CB-CE1 4.27Å; K377-Y387 HydrophobicContact CB-CE2 3.66Å; K377-Y387 HydrophobicContact CD-CD1 4.07Å; K377-Y387 HydrophobicContact CD-CD2 4.15Å; K377-Y387 HydrophobicContact CD-CE1 4.24Å; K377-Y387 HydrophobicContact CD-CE2 4.33Å; K377-Y387 HydrophobicContact CD-CG 4.02Å; K377-Y387 HydrophobicContact CG-CD1 4.12Å; K377-Y387 HydrophobicContact CG-CD2 4.34Å; K377-Y387 HydrophobicContact CG-CE1 3.76Å; K377-Y387 HydrophobicContact CG-CE2 4.01Å; K377-Y387 HydrophobicContact CG-CG 4.38Å; K377-Y387 PolarHBondContact O-OH 3.37Å; F382-Y387 WeakPolarHBondContact CB-OH 3.44Å; F382-Y387 WeakPolarHBondContact CD2-OH 3.1Å; F382-Y387 WeakPolarHBondContact CG-OH 3.32Å; V385-Y387 HydrophobicContact CB-CE2 4.13Å; V385-Y387 HydrophobicContact CG1-CD1 4.05Å; V385-Y387 HydrophobicContact CG1-CD2 4.17Å; V385-Y387 HydrophobicContact CG1-CE1 3.84Å; V385-Y387 HydrophobicContact CG1-CE2 3.95Å; V385-Y387 HydrophobicContact CG1-CG 4.21Å
388	D	93	Very high	94.8	Very high	139 Å²	139	68.5 Å²	68.5	74%	0.743	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-34.6	-178.6	-65.3	-33.9	0	0	0	110.8	D386	D386-D388 VanDerWaalsContact C-N 3.26Å; D386-D388 PolarHBondContact O-N 3.3Å; D386-D388 PolarHBondContact OD1-N 3.03Å; D386-D388 VanDerWaalsContact OD1-N 3.13Å
389	H	94.4	Very high	94.6	Very high	83 Å²	83	60.7 Å²	60.7	38%	0.384	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	5.6	-174	-47	92.9	0	0	0	114.2	D386 R391 E392 R393	D386-H389 VanDerWaalsContact CG-ND1 3.3Å; D386-H389 PolarHBondContact O-N 3.46Å; D386-H389 IonicContact OD1-CG 2.73Å; D386-H389 PolarHBondContact OD1-N 3.17Å; D386-H389 VanDerWaalsContact OD1-N 3.15Å; D386-H389 IonicContact OD1-ND1 2.69Å; D386-H389 PolarHBondContact OD1-ND1 2.68Å; D386-H389 IonicContact OD2-CE1 3.81Å; D386-H389 IonicContact OD2-CG 3.18Å; D386-H389 IonicContact OD2-ND1 3.04Å; D386-H389 PolarHBondContact OD2-ND1 2.99Å; H389-R391 PolarHBondContact O-N 3.39Å; H389-R391 VanDerWaalsContact O-N 3.12Å; H389-E392 IonicContact CD2-OE2 3.41Å; H389-E392 PolarHBondContact CD2-OE2 3.32Å; H389-E392 PolarHBondContact O-N 3.18Å; H389-R393 WeakPolarHBondContact O-CG 3.47Å; H389-R393 PolarHBondContact O-N 2.87Å
390	I	95.4	Very high	94.2	Very high	12 Å²	12	68 Å²	68	6%	0.062	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.8	-176.2	-171.7	168.1	0	0	0	112.7	W148 F191 A194 E195 L198 V385 D386 E392	W148-I390 HydrophobicContact CH2-CG2 4.25Å; F191-I390 HydrophobicContact CD2-CD1 4.15Å; F191-I390 HydrophobicContact CD2-CG1 4.05Å; F191-I390 HydrophobicContact CE2-CD1 4.27Å; F191-I390 HydrophobicContact CE2-CG1 3.75Å; A194-I390 HydrophobicContact CB-CD1 3.82Å; E195-I390 HydrophobicContact CG-CD1 3.67Å; E195-I390 HydrophobicContact CG-CG1 4Å; E195-I390 HydrophobicContact CG-CG2 4.49Å; L198-I390 HydrophobicContact CD1-CG2 3.65Å; V385-I390 HydrophobicContact CG1-CD1 4.05Å; D386-I390 WeakPolarHBondContact O-CA 3.34Å; D386-I390 VanDerWaalsContact O-CB 3.26Å; D386-I390 WeakPolarHBondContact O-CB 3.26Å; D386-I390 PolarHBondContact O-N 2.8Å; I390-E392 VanDerWaalsContact C-N 3.33Å; I390-E392 PolarHBondContact O-N 3.16Å
391	R	93.6	Very high	93.8	Very high	38 Å²	38	67.8 Å²	67.8	14%	0.143	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.5	-177.7	-153.8	-177.5	-179.5	96.8	14.9	114.1	L147 W148 D221 H225 V226 H389	L147-R391 PolarHBondContact O-NH1 3.07Å; L147-R391 PolarHBondContact O-NH2 2.83Å; W148-R391 HydrophobicContact CH2-CB 4.24Å; W148-R391 HydrophobicContact CH2-CG 4.38Å; D221-R391 IonicContact OD2-NH2 2.7Å; D221-R391 PolarHBondContact OD2-NH2 2.66Å; D221-R391 VanDerWaalsContact OD2-NH2 3.09Å; H225-R391 HydrophobicContact CB-CG 4.18Å; H225-R391 PolarHBondContact CE1-O 3.21Å; H225-R391 PolarHBondContact NE2-O 3Å; V226-R391 PolarHBondContact O-NH1 3.44Å; V226-R391 PolarHBondContact O-NH2 3.3Å; V226-R391 VanDerWaalsContact O-NH2 3.1Å; H389-R391 PolarHBondContact O-N 3.39Å; H389-R391 VanDerWaalsContact O-N 3.12Å
392	E	90.9	Very high	93.4	Very high	151 Å²	151	76.9 Å²	76.9	71%	0.706	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-18.2	-179.4	-62.8	171.6	174.3	0	0	111.5	H389 I390	H389-E392 IonicContact CD2-OE2 3.41Å; H389-E392 PolarHBondContact CD2-OE2 3.32Å; H389-E392 PolarHBondContact O-N 3.18Å; I390-E392 VanDerWaalsContact C-N 3.33Å; I390-E392 PolarHBondContact O-N 3.16Å
393	R	89.6	Confident	93	Very high	126 Å²	126	79 Å²	79	48%	0.475	42%	0.423	S	S	.	.	S	Bend	trans	-85.1	159.8	175.1	-65.5	174.8	-176.5	-162.5	1	110.7	H225 D386 H389 A395	H225-R393 PolarHBondContact CE1-O 3.02Å; H225-R393 PolarHBondContact NE2-O 3.38Å; H225-R393 VanDerWaalsContact NE2-O 3.16Å; D386-R393 IonicContact OD2-CZ 2.87Å; D386-R393 IonicContact OD2-NE 3.02Å; D386-R393 IonicContact OD2-NH2 3.55Å; D386-R393 PolarHBondContact OD2-NH2 2.69Å; H389-R393 WeakPolarHBondContact O-CG 3.47Å; H389-R393 PolarHBondContact O-N 2.87Å; R393-A395 PolarHBondContact O-N 3.35Å
394	P	93.1	Very high	92.4	Very high	123 Å²	123	77.2 Å²	77.2	80%	0.799	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.9	137.4	173.2	-22.8	33.8	0	0	0	111.5
395	A	94.3	Very high	92	Very high	13 Å²	13	77 Å²	77	11%	0.107	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-66.1	155.2	174.6	0	0	0	0	0	111.8	F191 K223 G224 R393 I397	F191-A395 HydrophobicContact CE1-CB 3.83Å; F191-A395 VanDerWaalsContact CZ-CA 3.48Å; F191-A395 HydrophobicContact CZ-CB 3.74Å; K223-A395 VanDerWaalsContact O-CB 3.26Å; K223-A395 WeakPolarHBondContact O-CB 3.48Å; G224-A395 WeakPolarHBondContact O-CB 3.13Å; R393-A395 PolarHBondContact O-N 3.35Å; A395-I397 VanDerWaalsContact C-N 3.27Å; A395-I397 PolarHBondContact O-N 2.64Å
396	A	95.1	Very high	91.7	Very high	41 Å²	41	76.6 Å²	76.6	34%	0.339	39%	0.394	S	S	.	.	S	Bend	trans	-58.6	-37.9	-179.5	0	0	0	0	0	113.1	E188 F191	E188-A396 HydrophobicContact CB-CB 4.44Å; E188-A396 HydrophobicContact CG-CB 4.26Å; F191-A396 HydrophobicContact CB-CB 3.73Å; F191-A396 HydrophobicContact CD1-CB 3.71Å; F191-A396 HydrophobicContact CD2-CB 4.45Å; F191-A396 HydrophobicContact CE1-CB 4.49Å; F191-A396 HydrophobicContact CG-CB 3.7Å
397	I	94.4	Very high	91.5	Very high	26 Å²	26	75.5 Å²	75.5	13%	0.133	39%	0.389	C	S	.	.	S	Bend	trans	-120.4	115.5	172.9	-55.3	169.4	0	0	0	108.3	L177 K181 L184 E188 Y192 A395	L177-I397 HydrophobicContact CD1-CD1 4.24Å; L177-I397 HydrophobicContact CD2-CD1 4.07Å; K181-I397 HydrophobicContact CD-CD1 3.69Å; L184-I397 HydrophobicContact CD2-CD1 4Å; E188-I397 HydrophobicContact CG-CD1 4.25Å; E188-I397 HydrophobicContact CG-CG1 4.08Å; E188-I397 WeakPolarHBondContact OE1-CD1 2.87Å; E188-I397 WeakPolarHBondContact OE1-CG1 3.39Å; Y192-I397 HydrophobicContact CE2-CD1 3.94Å; Y192-I397 HydrophobicContact CE2-CG1 4.28Å; Y192-I397 WeakPolarHBondContact OH-CB 3.15Å; A395-I397 VanDerWaalsContact C-N 3.27Å; A395-I397 PolarHBondContact O-N 2.64Å
398	P	90.3	Very high	91.2	Very high	94 Å²	94	76.8 Å²	76.8	61%	0.61	40%	0.404	S	S	*	.			trans	-69.3	142.8	175.8	28.8	-33.4	0	0	0	110.6
399	V	91.6	Very high	91.1	Very high	28 Å²	28	71.5 Å²	71.5	17%	0.17	38%	0.376	C	S	.	.			trans	-87.6	117.9	176.1	169.6	0	0	0	0	109.3	I401	V399-I401 HydrophobicContact CG1-CG2 3.62Å
400	E	89.8	Confident	90.7	Very high	166 Å²	166	69 Å²	69	78%	0.776	36%	0.364	S	S	*	.			trans	-86.8	109.3	174.8	-64.5	-176.7	-172.6	0	0	109.9
401	I	89.8	Confident	90.1	Very high	58 Å²	58	69.7 Å²	69.7	30%	0.297	37%	0.368	S	S	.	.			trans	-132.9	141.7	177.7	52.6	168.8	0	0	0	110.5	P170 V399 D406	P170-I401 HydrophobicContact CB-CD1 4.34Å; P170-I401 HydrophobicContact CB-CG2 4.01Å; P170-I401 HydrophobicContact CG-CD1 3.84Å; P170-I401 HydrophobicContact CG-CG2 4.49Å; V399-I401 HydrophobicContact CG1-CG2 3.62Å; I401-D406 HydrophobicContact CB-CB 4.2Å; I401-D406 HydrophobicContact CG2-CB 4.29Å
402	K	89.1	Confident	89.5	Confident	199 Å²	199	75.7 Å²	75.7	87%	0.865	40%	0.398	S	S	*	.	S	Bend	trans	-94.5	-26.9	-178	-61.4	176	-175.3	173.9	0	112.8	D406	K402-D406 WeakPolarHBondContact CB-OD2 3.46Å; K402-D406 PolarHBondContact N-OD2 3.41Å
403	S	89	Confident	88.9	Confident	52 Å²	52	70.3 Å²	70.3	36%	0.364	37%	0.372	S	S	.	.	S	Bend	trans	-151.8	169.7	-177.1	61.9	0	0	0	0	111.4	D405 D406	S403-D405 WeakPolarHBondContact CB-OD1 3.46Å; S403-D405 PolarHBondContact O-N 3.07Å; S403-D405 PolarHBondContact OG-OD1 3.02Å; S403-D406 VanDerWaalsContact O-CB 3.31Å; S403-D406 WeakPolarHBondContact O-CB 3.23Å; S403-D406 PolarHBondContact O-N 3.07Å; S403-D406 PolarHBondContact OG-N 3.37Å
404	I	84.8	Confident	88.3	Confident	91 Å²	91	68.6 Å²	68.6	47%	0.467	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.8	-179.2	60.8	168.9	0	0	0	113.5	V114 F168 M469	V114-I404 HydrophobicContact CG2-CD1 4.21Å; F168-I404 WeakPolarHBondContact CD1-O 3.4Å; F168-I404 WeakPolarHBondContact CE1-O 3.29Å; I404-M469 HydrophobicContact CG2-CE 3.71Å
405	D	87.1	Confident	87.3	Confident	70 Å²	70	71.6 Å²	71.6	37%	0.374	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	13.6	178.9	60.8	-21	0	0	0	111.9	L92 L105 V114 S403 T407	L92-D405 HydrophobicContact CD1-CB 4.49Å; L105-D405 HydrophobicContact CD2-CB 4Å; V114-D405 HydrophobicContact CG2-CB 4.42Å; S403-D405 WeakPolarHBondContact CB-OD1 3.46Å; S403-D405 PolarHBondContact O-N 3.07Å; S403-D405 PolarHBondContact OG-OD1 3.02Å; D405-T407 PolarHBondContact O-N 3.49Å
406	D	90	Very high	86.1	Confident	17 Å²	17	72.1 Å²	72.1	9%	0.091	38%	0.383	C	S	.	.			trans	-63.7	125.5	178.8	-165.5	-27.5	0	0	0	110.4	F168 I401 K402 S403 S408	F168-D406 WeakPolarHBondContact CZ-O 3.45Å; I401-D406 HydrophobicContact CB-CB 4.2Å; I401-D406 HydrophobicContact CG2-CB 4.29Å; K402-D406 WeakPolarHBondContact CB-OD2 3.46Å; K402-D406 PolarHBondContact N-OD2 3.41Å; S403-D406 VanDerWaalsContact O-CB 3.31Å; S403-D406 WeakPolarHBondContact O-CB 3.23Å; S403-D406 PolarHBondContact O-N 3.07Å; S403-D406 PolarHBondContact OG-N 3.37Å; D406-S408 WeakPolarHBondContact OD1-CB 3.32Å; D406-S408 PolarHBondContact OD1-N 3.12Å; D406-S408 PolarHBondContact OD1-OG 3.12Å
407	T	91.1	Very high	84.5	Confident	18 Å²	18	75.7 Å²	75.7	11%	0.11	40%	0.397	C	S	.	.			trans	-114.9	15.1	-179.2	54.9	0	0	0	0	112.9	K93 I95 L105 F168 D405 N409 F410	K93-T407 HydrophobicContact CD-CG2 4.12Å; K93-T407 VanDerWaalsContact CD-OG1 3.27Å; K93-T407 WeakPolarHBondContact CD-OG1 3.41Å; K93-T407 PolarHBondContact NZ-OG1 3.09Å; I95-T407 HydrophobicContact CG2-CG2 3.73Å; L105-T407 HydrophobicContact CD2-CG2 3.69Å; F168-T407 HydrophobicContact CZ-CG2 4.24Å; D405-T407 PolarHBondContact O-N 3.49Å; T407-N409 PolarHBondContact O-N 3.41Å; T407-F410 WeakPolarHBondContact O-CB 3.33Å; T407-F410 PolarHBondContact O-N 3.14Å
408	S	89.9	Confident	83.2	Confident	68 Å²	68	74.8 Å²	74.8	48%	0.476	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.2	-179.9	57.8	0	0	0	0	114.4	K180 D406 F410	K180-S408 PolarHBondContact NZ-O 3.02Å; D406-S408 WeakPolarHBondContact OD1-CB 3.32Å; D406-S408 PolarHBondContact OD1-N 3.12Å; D406-S408 PolarHBondContact OD1-OG 3.12Å; S408-F410 VanDerWaalsContact C-N 3.31Å
409	N	89.6	Confident	81.9	Confident	28 Å²	28	72.3 Å²	72.3	15%	0.15	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.8	172.3	-65.2	-44.5	0	0	0	114	P170 T176 K180 T407	P170-N409 WeakPolarHBondContact O-CB 3.4Å; P170-N409 PolarHBondContact O-ND2 2.94Å; T176-N409 WeakPolarHBondContact CG2-O 3.45Å; K180-N409 PolarHBondContact NZ-OD1 3.41Å; T407-N409 PolarHBondContact O-N 3.41Å
410	F	87.1	Confident	80.3	Confident	30 Å²	30	72.5 Å²	72.5	13%	0.132	38%	0.376	C	S	.	.	S	Bend	trans	-112.6	150.7	175.8	-63.9	-94.1	0	0	0	110.6	I95 F168 L169 T407 S408	I95-F410 HydrophobicContact CB-CD1 3.93Å; I95-F410 HydrophobicContact CB-CE1 4.32Å; I95-F410 HydrophobicContact CB-CG 4.18Å; I95-F410 HydrophobicContact CD1-CE1 4.4Å; I95-F410 HydrophobicContact CG2-CG 4.45Å; I95-F410 WeakPolarHBondContact O-CD1 3.49Å; F168-F410 HydrophobicContact CD2-CZ 4.45Å; F168-F410 HydrophobicContact CE2-CD2 4.38Å; F168-F410 AromaticContact CE2-CE2 3.46Å; F168-F410 HydrophobicContact CE2-CE2 3.46Å; F168-F410 VanDerWaalsContact CE2-CE2 3.46Å; F168-F410 AromaticContact CE2-CZ 3.59Å; F168-F410 HydrophobicContact CE2-CZ 3.59Å; F168-F410 HydrophobicContact CZ-CD2 4.46Å; F168-F410 AromaticContact CZ-CE2 3.68Å; F168-F410 HydrophobicContact CZ-CE2 3.68Å; F168-F410 HydrophobicContact CZ-CZ 4.26Å; L169-F410 VanDerWaalsContact O-CZ 3.28Å; L169-F410 WeakPolarHBondContact O-CZ 3.29Å; T407-F410 WeakPolarHBondContact O-CB 3.33Å; T407-F410 PolarHBondContact O-N 3.14Å; S408-F410 VanDerWaalsContact C-N 3.31Å
411	D	82.4	Confident	78	Confident	26 Å²	26	70.3 Å²	70.3	14%	0.139	38%	0.377	C	S	.	.			trans	-64.5	148.4	169.5	-81.2	-31.3	0	0	0	111.3	R276 F413	R276-D411 VanDerWaalsContact CZ-CG 3.47Å; R276-D411 IonicContact CZ-OD1 3.72Å; R276-D411 IonicContact CZ-OD2 3.74Å; R276-D411 VanDerWaalsContact CZ-OD2 3.27Å; R276-D411 IonicContact NE-OD2 3.05Å; R276-D411 IonicContact NH1-OD1 3.76Å; R276-D411 PolarHBondContact NH1-OD1 3.16Å; R276-D411 IonicContact NH1-OD2 2.66Å; R276-D411 PolarHBondContact NH1-OD2 3.4Å; R276-D411 VanDerWaalsContact NH1-OD2 3.14Å; R276-D411 IonicContact NH2-OD1 2.8Å; R276-D411 PolarHBondContact NH2-OD1 2.93Å; R276-D411 IonicContact NH2-OD2 3.09Å; D411-F413 HydrophobicContact CB-CE2 3.9Å; D411-F413 HydrophobicContact CB-CZ 4.03Å; D411-F413 WeakPolarHBondContact O-CD2 3.33Å; D411-F413 WeakPolarHBondContact O-CE2 3.44Å
412	E	81	Confident	75.6	Confident	165 Å²	165	71.2 Å²	71.2	77%	0.771	39%	0.385	S	S	*	.			trans	-78.2	125	172.5	-66.9	-165.7	161.4	0	0	110.6
413	F	79	Confident	73.1	Confident	37 Å²	37	66.3 Å²	66.3	16%	0.162	38%	0.381	C	S	.	.			trans	-110.6	137	173.8	-64.7	-82.7	0	0	0	109.4	V94 I95 R97 F280 D411	V94-F413 HydrophobicContact CB-CB 4.13Å; V94-F413 HydrophobicContact CG1-CB 3.87Å; V94-F413 HydrophobicContact CG1-CG 4.31Å; I95-F413 WeakPolarHBondContact O-CE2 3.36Å; R97-F413 HydrophobicContact CB-CD1 4.4Å; R97-F413 HydrophobicContact CB-CE1 4.3Å; R97-F413 HydrophobicContact CG-CD1 3.89Å; R97-F413 HydrophobicContact CG-CE1 4.28Å; R97-F413 HydrophobicContact CG-CG 4.4Å; F280-F413 AromaticContact CE1-CE1 3.51Å; F280-F413 HydrophobicContact CE1-CE1 3.51Å; F280-F413 AromaticContact CE1-CZ 3.8Å; F280-F413 HydrophobicContact CE1-CZ 3.8Å; F280-F413 HydrophobicContact CE2-CE1 4.16Å; F280-F413 AromaticContact CZ-CE1 3.32Å; F280-F413 HydrophobicContact CZ-CE1 3.32Å; F280-F413 AromaticContact CZ-CZ 3.59Å; F280-F413 HydrophobicContact CZ-CZ 3.59Å; D411-F413 HydrophobicContact CB-CE2 3.9Å; D411-F413 HydrophobicContact CB-CZ 4.03Å; D411-F413 WeakPolarHBondContact O-CD2 3.33Å; D411-F413 WeakPolarHBondContact O-CE2 3.44Å
414	P	76.6	Confident	70.6	Confident	91 Å²	91	67.6 Å²	67.6	59%	0.591	40%	0.395	S	S	*	.			trans	-60.3	154.2	169.4	24.4	-29.8	0	0	0	109.5	R97	R97-P414 PolarHBondContact NH2-O 3.42Å
415	E	71.7	Confident	68.2	Low	185 Å²	185	67.8 Å²	67.8	86%	0.864	41%	0.41	S	S	*	.			trans	-60.2	147.4	171.5	-70.8	-165.7	155.4	0	0	110.6
416	S	68.6	Low	65.5	Low	24 Å²	24	69 Å²	69	17%	0.168	43%	0.43	C	S	.	.			trans	-128.4	144	178.2	36.5	0	0	0	0	109.9	E102 R104 I418	E102-S416 PolarHBondContact OE1-OG 3.41Å; E102-S416 WeakPolarHBondContact OE2-CB 3.48Å; E102-S416 PolarHBondContact OE2-OG 2.82Å; R104-S416 PolarHBondContact NH2-O 2.85Å; S416-I418 PolarHBondContact O-N 2.95Å; S416-I418 VanDerWaalsContact O-N 3.08Å
417	D	62.6	Low	63.1	Low	117 Å²	117	71.2 Å²	71.2	63%	0.626	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-78.3	19.6	-180	-82.4	-19.3	0	0	0	113.6	L419 S420	D417-L419 PolarHBondContact O-N 3.27Å; D417-L419 VanDerWaalsContact O-N 3.16Å; D417-S420 VanDerWaalsContact CB-OG 3.31Å; D417-S420 WeakPolarHBondContact CB-OG 3.36Å; D417-S420 WeakPolarHBondContact O-CB 3.47Å; D417-S420 PolarHBondContact O-N 3.46Å; D417-S420 PolarHBondContact O-OG 3.16Å
418	I	67.1	Low	60.7	Low	7 Å²	7	78 Å²	78	4%	0.036	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.7	-176.6	-144.7	166.8	0	0	0	113	E102 I119 R121 S416	E102-I418 HydrophobicContact CG-CB 4.43Å; E102-I418 HydrophobicContact CG-CD1 3.95Å; E102-I418 HydrophobicContact CG-CG2 3.77Å; E102-I418 WeakPolarHBondContact OE1-CG2 3.29Å; I119-I418 HydrophobicContact CD1-CG2 3.81Å; I119-I418 HydrophobicContact CG2-CG2 4.24Å; R121-I418 HydrophobicContact CG-CD1 4.26Å; R121-I418 HydrophobicContact CG-CG1 4.43Å; S416-I418 PolarHBondContact O-N 2.95Å; S416-I418 VanDerWaalsContact O-N 3.08Å
419	L	62.3	Low	58.6	Low	41 Å²	41	81.9 Å²	81.9	22%	0.215	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-91.5	-11.4	177.5	-66.1	-171.3	0	0	0	112.2	L86 R104 M117 I119 Y163 D417	L86-L419 HydrophobicContact CD1-CD1 4.3Å; L86-L419 HydrophobicContact CD1-CD2 4.07Å; L86-L419 HydrophobicContact CD2-CD1 4.5Å; L86-L419 HydrophobicContact CD2-CD2 3.86Å; R104-L419 VanDerWaalsContact NH1-CD1 3.27Å; M117-L419 HydrophobicContact CE-CD1 4.25Å; I119-L419 HydrophobicContact CD1-CD1 4.33Å; I119-L419 HydrophobicContact CD1-CD2 3.57Å; I119-L419 HydrophobicContact CD1-CG 4Å; I119-L419 HydrophobicContact CG1-CD2 4.32Å; I119-L419 HydrophobicContact CG2-CD2 4.43Å; Y163-L419 HydrophobicContact CE1-CD2 4.11Å; D417-L419 PolarHBondContact O-N 3.27Å; D417-L419 VanDerWaalsContact O-N 3.16Å
420	S	56.9	Low	56.4	Low	33 Å²	33	84 Å²	84	23%	0.231	51%	0.512	C	S	.	.	S	Bend	trans	-67.6	138.1	169.8	78.4	0	0	0	0	107.6	D417 T422	D417-S420 VanDerWaalsContact CB-OG 3.31Å; D417-S420 WeakPolarHBondContact CB-OG 3.36Å; D417-S420 WeakPolarHBondContact O-CB 3.47Å; D417-S420 PolarHBondContact O-N 3.46Å; D417-S420 PolarHBondContact O-OG 3.16Å; S420-T422 PolarHBondContact O-N 2.95Å; S420-T422 PolarHBondContact O-OG1 3.23Å; S420-T422 WeakPolarHBondContact OG-CG2 3.23Å; S420-T422 PolarHBondContact OG-N 3.01Å; S420-T422 PolarHBondContact OG-OG1 3.01Å; S420-T422 VanDerWaalsContact OG-OG1 3.07Å
421	P	43	Very low	54.7	Low	120 Å²	120	88.1 Å²	88.1	78%	0.779	54%	0.542	S	S	*	.			trans	-69.9	67.8	160.8	29.9	-31	0	0	0	107.5	A423	P421-A423 PolarHBondContact O-N 2.78Å
422	T	37.9	Very low	52.9	Low	76 Å²	76	90.4 Å²	90.4	47%	0.466	56%	0.564	S	S	.	*			trans	-65.9	109.3	166.1	18	0	0	0	0	105.1	S420 A424	S420-T422 PolarHBondContact O-N 2.95Å; S420-T422 PolarHBondContact O-OG1 3.23Å; S420-T422 WeakPolarHBondContact OG-CG2 3.23Å; S420-T422 PolarHBondContact OG-N 3.01Å; S420-T422 PolarHBondContact OG-OG1 3.01Å; S420-T422 VanDerWaalsContact OG-OG1 3.07Å; T422-A424 PolarHBondContact O-N 3.3Å
423	A	36.8	Very low	51.1	Low	96 Å²	96	84.3 Å²	84.3	79%	0.793	54%	0.542	S	S	*	.			trans	-36.5	117.2	155.6	0	0	0	0	0	106.1	P421 A425	P421-A423 PolarHBondContact O-N 2.78Å; A423-A425 PolarHBondContact O-N 2.94Å
424	A	36.4	Very low	49.4	Very low	79 Å²	79	85 Å²	85	65%	0.653	55%	0.554	S	S	*	*			trans	-23.4	126.9	-170.9	0	0	0	0	0	112.1	T422 A426	T422-A424 PolarHBondContact O-N 3.3Å; A424-A426 WeakPolarHBondContact O-CA 3.42Å; A424-A426 PolarHBondContact O-N 3.24Å
425	A	35.8	Very low	47.8	Very low	95 Å²	95	83.4 Å²	83.4	79%	0.785	55%	0.55	S	S	*	.			trans	-29.4	108.1	163.1	0	0	0	0	0	108.1	A423 P427	A423-A425 PolarHBondContact O-N 2.94Å; A425-P427 WeakPolarHBondContact O-CD 3.12Å
426	A	30.7	Very low	46.5	Very low	96 Å²	96	77.5 Å²	77.5	79%	0.793	53%	0.532	S	S	*	.			trans	-50.3	108.6	-169.2	0	0	0	0	0	107.1	A424	A424-A426 WeakPolarHBondContact O-CA 3.42Å; A424-A426 PolarHBondContact O-N 3.24Å
427	P	39.5	Very low	45.5	Very low	64 Å²	64	79.3 Å²	79.3	42%	0.416	55%	0.548	S	S	.	.			trans	-71.6	141	164.7	28.6	-20.8	0	0	0	103.5	A425 K429	A425-P427 WeakPolarHBondContact O-CD 3.12Å; P427-K429 HydrophobicContact CB-CB 3.82Å; P427-K429 HydrophobicContact CB-CD 4.13Å; P427-K429 HydrophobicContact CB-CG 3.89Å; P427-K429 HydrophobicContact CG-CB 4.09Å; P427-K429 PolarHBondContact O-N 2.78Å
428	T	40	Very low	44.8	Very low	160 Å²	160	80.1 Å²	80.1	98%	0.982	55%	0.549	S	S	*	.	S	Bend	trans	-59.9	33.6	157	37.9	0	0	0	0	111.9
429	K	45.6	Very low	44	Very low	150 Å²	150	82.7 Å²	82.7	65%	0.652	57%	0.571	S	S	*	*	S	Bend	trans	-116.1	132.1	-177.6	-64.5	-178.7	178.7	178.9	0	109.4	P427 A433	P427-K429 HydrophobicContact CB-CB 3.82Å; P427-K429 HydrophobicContact CB-CD 4.13Å; P427-K429 HydrophobicContact CB-CG 3.89Å; P427-K429 HydrophobicContact CG-CB 4.09Å; P427-K429 PolarHBondContact O-N 2.78Å; K429-A433 HydrophobicContact CB-CB 3.93Å
430	S	44.3	Very low	43.5	Very low	72 Å²	72	84.5 Å²	84.5	50%	0.503	58%	0.581	S	S	.	*			trans	-49.4	153.5	178.8	67.2	0	0	0	0	113.7	A432 A433 A434	S430-A432 PolarHBondContact O-N 3.38Å; S430-A433 WeakPolarHBondContact O-CB 3.33Å; S430-A433 PolarHBondContact O-N 3.39Å; S430-A434 PolarHBondContact O-N 3.3Å
431	P	49.5	Very low	43.2	Very low	117 Å²	117	85.3 Å²	85.3	76%	0.76	58%	0.579	S	S	*	*	H	α-helix	trans	-55	-24.7	179.4	14.7	-27.7	0	0	0	114.7	A435	P431-A435 PolarHBondContact O-N 3.37Å
432	A	44.7	Very low	43.7	Very low	73 Å²	73	87.7 Å²	87.7	60%	0.603	58%	0.577	S	S	*	*	H	α-helix	trans	-69.1	-33.9	173.8	0	0	0	0	0	113.3	S430 A436	S430-A432 PolarHBondContact O-N 3.38Å; A432-A436 WeakPolarHBondContact O-CB 3.28Å; A432-A436 PolarHBondContact O-N 3.07Å; A432-A436 VanDerWaalsContact O-N 3.08Å
433	A	43.7	Very low	44.6	Very low	37 Å²	37	87.2 Å²	87.2	31%	0.306	57%	0.572	S	S	.	*	H	α-helix	trans	-75.6	-31.2	177.9	0	0	0	0	0	112.3	K429 S430 A437	K429-A433 HydrophobicContact CB-CB 3.93Å; S430-A433 WeakPolarHBondContact O-CB 3.33Å; S430-A433 PolarHBondContact O-N 3.39Å; A433-A437 WeakPolarHBondContact O-CB 3.45Å; A433-A437 PolarHBondContact O-N 3.07Å
434	A	43.1	Very low	45.8	Very low	51 Å²	51	86.8 Å²	86.8	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-44.8	172.6	0	0	0	0	0	111.3	S430 A436 A437 E438	S430-A434 PolarHBondContact O-N 3.3Å; A434-A436 PolarHBondContact O-N 2.9Å; A434-A437 PolarHBondContact O-N 3.15Å; A434-E438 WeakPolarHBondContact O-CB 3.18Å; A434-E438 PolarHBondContact O-N 3.43Å
435	A	43.7	Very low	47.2	Very low	59 Å²	59	85.6 Å²	85.6	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-37.3	175.7	0	0	0	0	0	112.8	P431 A439	P431-A435 PolarHBondContact O-N 3.37Å; A435-A439 WeakPolarHBondContact O-CB 3.47Å; A435-A439 PolarHBondContact O-N 3.12Å
436	A	44.9	Very low	48.7	Very low	61 Å²	61	86.6 Å²	86.6	50%	0.504	52%	0.518	S	S	.	.	H	α-helix	trans	-67.9	-39.6	174.5	0	0	0	0	0	112.5	A432 A434 A439 D440	A432-A436 WeakPolarHBondContact O-CB 3.28Å; A432-A436 PolarHBondContact O-N 3.07Å; A432-A436 VanDerWaalsContact O-N 3.08Å; A434-A436 PolarHBondContact O-N 2.9Å; A436-A439 PolarHBondContact O-N 3.26Å; A436-D440 WeakPolarHBondContact O-CB 3.26Å; A436-D440 PolarHBondContact O-N 2.96Å
437	A	48	Very low	50.3	Low	61 Å²	61	83.6 Å²	83.6	50%	0.504	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-38.3	174.9	0	0	0	0	0	112.1	A433 A434 D440 Y441	A433-A437 WeakPolarHBondContact O-CB 3.45Å; A433-A437 PolarHBondContact O-N 3.07Å; A434-A437 PolarHBondContact O-N 3.15Å; A437-D440 PolarHBondContact O-N 3.39Å; A437-Y441 WeakPolarHBondContact O-CB 3.41Å; A437-Y441 PolarHBondContact O-N 3.1Å
438	E	46.1	Very low	51.9	Low	135 Å²	135	80.9 Å²	80.9	63%	0.631	47%	0.471	S	S	*	.	H	α-helix	trans	-68.1	-34.9	176.9	-147.8	-175.6	-178	0	0	112.4	A434 K442	A434-E438 WeakPolarHBondContact O-CB 3.18Å; A434-E438 PolarHBondContact O-N 3.43Å; E438-K442 PolarHBondContact O-N 3.37Å; E438-K442 VanDerWaalsContact O-N 3.11Å
439	A	51.3	Low	53.1	Low	61 Å²	61	75.7 Å²	75.7	50%	0.504	44%	0.437	S	S	.	.	H	α-helix	trans	-70.7	-44.5	173.2	0	0	0	0	0	112.3	A435 A436 Y441 K442 N443	A435-A439 WeakPolarHBondContact O-CB 3.47Å; A435-A439 PolarHBondContact O-N 3.12Å; A436-A439 PolarHBondContact O-N 3.26Å; A439-Y441 VanDerWaalsContact C-N 3.29Å; A439-Y441 PolarHBondContact O-N 2.79Å; A439-K442 PolarHBondContact O-N 3.37Å; A439-N443 WeakPolarHBondContact O-CB 3.16Å; A439-N443 PolarHBondContact O-N 2.86Å; A439-N443 VanDerWaalsContact O-N 3.12Å
440	D	51.3	Low	54.2	Low	79 Å²	79	71.3 Å²	71.3	42%	0.422	42%	0.421	S	S	.	.	H	α-helix	trans	-65.1	-33.7	175	-167.7	45.2	0	0	0	111.7	A436 A437 N443 K444	A436-D440 WeakPolarHBondContact O-CB 3.26Å; A436-D440 PolarHBondContact O-N 2.96Å; A437-D440 PolarHBondContact O-N 3.39Å; D440-N443 PolarHBondContact O-N 2.99Å; D440-K444 PolarHBondContact O-N 3.17Å; D440-K444 VanDerWaalsContact O-N 3.17Å; D440-K444 WeakPolarHBondContact OD1-CE 3.42Å; D440-K444 IonicContact OD1-NZ 2.82Å; D440-K444 PolarHBondContact OD1-NZ 2.91Å; D440-K444 IonicContact OD2-NZ 2.75Å; D440-K444 PolarHBondContact OD2-NZ 3.45Å
441	Y	51.3	Low	55.6	Low	50 Å²	50	68.1 Å²	68.1	20%	0.196	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-49.3	175.5	-174.3	-95.4	0	0	0	112.7	K122 L126 K159 A437 A439 N443 K444 D445	K122-Y441 HydrophobicContact CB-CE2 3.96Å; K122-Y441 WeakPolarHBondContact CB-OH 3.4Å; K122-Y441 WeakPolarHBondContact CD-OH 3.46Å; L126-Y441 HydrophobicContact CD1-CD2 4.25Å; L126-Y441 HydrophobicContact CD1-CE2 4.32Å; K159-Y441 WeakPolarHBondContact O-CE1 3.44Å; K159-Y441 PolarHBondContact O-OH 3.47Å; A437-Y441 WeakPolarHBondContact O-CB 3.41Å; A437-Y441 PolarHBondContact O-N 3.1Å; A439-Y441 VanDerWaalsContact C-N 3.29Å; A439-Y441 PolarHBondContact O-N 2.79Å; Y441-N443 PolarHBondContact O-N 3.25Å; Y441-K444 PolarHBondContact O-N 2.93Å; Y441-K444 VanDerWaalsContact O-N 3.12Å; Y441-D445 PolarHBondContact O-N 3.49Å; Y441-D445 VanDerWaalsContact O-N 3.15Å
442	K	54.2	Low	57.1	Low	170 Å²	170	66.4 Å²	66.4	74%	0.739	39%	0.385	S	S	*	.	H	α-helix	trans	-58.7	-29.3	171.5	-83.6	-177.1	-179.8	170.7	0	112.2	E438 A439 K444	E438-K442 PolarHBondContact O-N 3.37Å; E438-K442 VanDerWaalsContact O-N 3.11Å; A439-K442 PolarHBondContact O-N 3.37Å; K442-K444 VanDerWaalsContact C-N 3.34Å
443	N	56.5	Low	58.8	Low	66 Å²	66	65.6 Å²	65.6	35%	0.353	37%	0.367	S	S	.	.	H	α-helix	trans	-79.2	-14.5	-179.3	-138.9	32.3	0	0	0	113.8	E18 A439 D440 Y441 W446	E18-N443 PolarHBondContact OE2-ND2 2.92Å; E18-N443 PolarHBondContact OE2-OD1 3.4Å; A439-N443 WeakPolarHBondContact O-CB 3.16Å; A439-N443 PolarHBondContact O-N 2.86Å; A439-N443 VanDerWaalsContact O-N 3.12Å; D440-N443 PolarHBondContact O-N 2.99Å; Y441-N443 PolarHBondContact O-N 3.25Å; N443-W446 PolarHBondContact O-NE1 2.73Å
444	K	61.6	Low	60.4	Low	87 Å²	87	64.8 Å²	64.8	38%	0.378	36%	0.357	S	S	.	.	H	α-helix	trans	-113.1	-7.4	-180	-70.7	173.7	-177.3	159.5	0	114.6	L126 D440 Y441 K442 W446 V447	L126-K444 HydrophobicContact CD1-CB 4.12Å; L126-K444 HydrophobicContact CD2-CB 4.25Å; D440-K444 PolarHBondContact O-N 3.17Å; D440-K444 VanDerWaalsContact O-N 3.17Å; D440-K444 WeakPolarHBondContact OD1-CE 3.42Å; D440-K444 IonicContact OD1-NZ 2.82Å; D440-K444 PolarHBondContact OD1-NZ 2.91Å; D440-K444 IonicContact OD2-NZ 2.75Å; D440-K444 PolarHBondContact OD2-NZ 3.45Å; Y441-K444 PolarHBondContact O-N 2.93Å; Y441-K444 VanDerWaalsContact O-N 3.12Å; K442-K444 VanDerWaalsContact C-N 3.34Å; K444-W446 PolarHBondContact O-N 3.29Å; K444-V447 WeakPolarHBondContact O-CG1 3.34Å; K444-V447 WeakPolarHBondContact O-CG2 3.16Å; K444-V447 PolarHBondContact O-N 3.4Å; K444-V447 VanDerWaalsContact O-N 3.14Å
445	D	65.9	Low	62.1	Low	54 Å²	54	62.6 Å²	62.6	29%	0.289	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.9	-177.7	-150.1	22.8	0	0	0	113.6	K122 Y441 V447 F448	K122-D445 IonicContact NZ-OD1 2.7Å; K122-D445 PolarHBondContact NZ-OD1 3.1Å; K122-D445 IonicContact NZ-OD2 3.38Å; Y441-D445 PolarHBondContact O-N 3.49Å; Y441-D445 VanDerWaalsContact O-N 3.15Å; D445-V447 PolarHBondContact O-N 3.2Å; D445-V447 VanDerWaalsContact O-N 3.13Å; D445-F448 PolarHBondContact O-N 3.4Å; D445-F448 VanDerWaalsContact O-N 3.11Å
446	W	66.2	Low	63.3	Low	116 Å²	116	61.2 Å²	61.2	44%	0.439	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-59.8	-21.8	175.6	68.5	-93.2	0	0	0	113.6	M22 N443 K444 F448 I449	M22-W446 HydrophobicContact CG-CB 4.37Å; N443-W446 PolarHBondContact O-NE1 2.73Å; K444-W446 PolarHBondContact O-N 3.29Å; W446-F448 PolarHBondContact O-N 2.88Å; W446-I449 HydrophobicContact CB-CD1 3.73Å; W446-I449 HydrophobicContact CB-CG1 4.43Å; W446-I449 VanDerWaalsContact O-CB 3.29Å; W446-I449 WeakPolarHBondContact O-CB 3.35Å; W446-I449 VanDerWaalsContact O-CD1 3.32Å; W446-I449 WeakPolarHBondContact O-CD1 3.33Å; W446-I449 WeakPolarHBondContact O-CG1 3.43Å; W446-I449 PolarHBondContact O-N 2.99Å; W446-I449 VanDerWaalsContact O-N 3.09Å
447	V	65.8	Low	64.3	Low	32 Å²	32	61.6 Å²	61.6	19%	0.194	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-67.4	-18	177.9	-55.9	0	0	0	0	113	L126 V131 K444 D445	L126-V447 HydrophobicContact CD2-CG2 3.93Å; V131-V447 HydrophobicContact CB-CG2 4.46Å; V131-V447 HydrophobicContact CG1-CB 3.97Å; V131-V447 HydrophobicContact CG1-CG2 3.82Å; V131-V447 HydrophobicContact CG2-CG2 3.89Å; K444-V447 WeakPolarHBondContact O-CG1 3.34Å; K444-V447 WeakPolarHBondContact O-CG2 3.16Å; K444-V447 PolarHBondContact O-N 3.4Å; K444-V447 VanDerWaalsContact O-N 3.14Å; D445-V447 PolarHBondContact O-N 3.2Å; D445-V447 VanDerWaalsContact O-N 3.13Å
448	F	71.8	Confident	64.8	Low	7 Å²	7	59 Å²	59	3%	0.031	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-98.7	11.7	175.4	-53.5	-66.7	0	0	0	112.7	K122 M125 L126 V131 I134 Q157 L162 D445 W446 Y451	K122-F448 HydrophobicContact CB-CE2 4.08Å; K122-F448 HydrophobicContact CB-CZ 4.36Å; K122-F448 HydrophobicContact CD-CD2 4.09Å; K122-F448 HydrophobicContact CD-CE2 4.11Å; K122-F448 HydrophobicContact CG-CD2 4.24Å; K122-F448 HydrophobicContact CG-CE2 3.88Å; K122-F448 HydrophobicContact CG-CZ 4.21Å; M125-F448 HydrophobicContact CB-CZ 4.26Å; L126-F448 HydrophobicContact CD1-CE2 4.39Å; L126-F448 HydrophobicContact CD2-CE2 4.36Å; L126-F448 HydrophobicContact CD2-CZ 4.34Å; L126-F448 HydrophobicContact CG-CE2 4.27Å; L126-F448 HydrophobicContact CG-CZ 4.25Å; V131-F448 HydrophobicContact CB-CE1 4.37Å; V131-F448 HydrophobicContact CG1-CD1 4.2Å; V131-F448 HydrophobicContact CG1-CE1 3.9Å; V131-F448 HydrophobicContact CG2-CE1 3.83Å; V131-F448 HydrophobicContact CG2-CZ 3.85Å; I134-F448 HydrophobicContact CD1-CE1 4.27Å; Q157-F448 PolarHBondContact NE2-O 3.2Å; Q157-F448 VanDerWaalsContact OE1-CB 3.31Å; L162-F448 HydrophobicContact CD1-CD1 3.71Å; L162-F448 HydrophobicContact CD1-CE1 3.64Å; L162-F448 HydrophobicContact CD1-CZ 4.42Å; L162-F448 HydrophobicContact CD2-CB 4.26Å; L162-F448 HydrophobicContact CD2-CD1 3.99Å; L162-F448 HydrophobicContact CD2-CG 4.07Å; L162-F448 HydrophobicContact CG-CD1 4.42Å; D445-F448 PolarHBondContact O-N 3.4Å; D445-F448 VanDerWaalsContact O-N 3.11Å; W446-F448 PolarHBondContact O-N 2.88Å; F448-Y451 WeakPolarHBondContact O-CB 3.4Å; F448-Y451 PolarHBondContact O-N 3.11Å
449	I	66.1	Low	65.2	Low	51 Å²	51	53.9 Å²	53.9	26%	0.262	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	143.2	169.4	-70.6	168	0	0	0	109.1	M22 W446 Y451	M22-I449 HydrophobicContact CG-CD1 4.17Å; W446-I449 HydrophobicContact CB-CD1 3.73Å; W446-I449 HydrophobicContact CB-CG1 4.43Å; W446-I449 VanDerWaalsContact O-CB 3.29Å; W446-I449 WeakPolarHBondContact O-CB 3.35Å; W446-I449 VanDerWaalsContact O-CD1 3.32Å; W446-I449 WeakPolarHBondContact O-CD1 3.33Å; W446-I449 WeakPolarHBondContact O-CG1 3.43Å; W446-I449 PolarHBondContact O-N 2.99Å; W446-I449 VanDerWaalsContact O-N 3.09Å; I449-Y451 PolarHBondContact O-N 2.88Å
450	N	68.2	Low	64.9	Low	58 Å²	58	54 Å²	54	31%	0.31	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	5.1	-170.7	-63.5	-14.1	0	0	0	116.1	N29 R138 T452	N29-N450 WeakPolarHBondContact CB-ND2 3.04Å; N29-N450 PolarHBondContact ND2-ND2 3.22Å; N29-N450 VanDerWaalsContact ND2-ND2 3.13Å; N29-N450 PolarHBondContact OD1-ND2 3.34Å; R138-N450 PolarHBondContact NH1-O 3.28Å; N450-T452 PolarHBondContact O-N 2.98Å; N450-T452 VanDerWaalsContact O-N 3.15Å
451	Y	74.4	Confident	64.5	Low	5 Å²	5	50.9 Å²	50.9	2%	0.02	25%	0.247	C	C	.	.			trans	-56.5	-32.1	176.7	-176.3	-93.6	0	0	0	112.5	I134 S155 F156 Q157 L162 Y163 L164 F448 I449 Y453	I134-Y451 HydrophobicContact CG2-CD2 4.19Å; I134-Y451 HydrophobicContact CG2-CE2 3.56Å; S155-Y451 WeakPolarHBondContact CB-O 3.27Å; S155-Y451 PolarHBondContact OG-O 3.23Å; F156-Y451 WeakPolarHBondContact O-CE1 3.48Å; Q157-Y451 HydrophobicContact CB-CD1 4.1Å; L162-Y451 HydrophobicContact CB-CE1 3.9Å; L162-Y451 HydrophobicContact CB-CE2 4.14Å; L162-Y451 HydrophobicContact CD1-CD2 4.29Å; L162-Y451 HydrophobicContact CD1-CE2 3.99Å; L162-Y451 HydrophobicContact CD2-CD1 3.94Å; L162-Y451 HydrophobicContact CD2-CD2 4.17Å; L162-Y451 HydrophobicContact CD2-CE1 4.1Å; L162-Y451 HydrophobicContact CD2-CE2 4.31Å; L162-Y451 HydrophobicContact CD2-CG 3.98Å; L162-Y451 HydrophobicContact CG-CE2 4.39Å; Y163-Y451 WeakPolarHBondContact O-CE1 3.22Å; Y163-Y451 PolarHBondContact O-OH 3.27Å; Y163-Y451 VanDerWaalsContact O-OH 3.1Å; L164-Y451 WeakPolarHBondContact CD1-OH 3.22Å; L164-Y451 WeakPolarHBondContact CG-OH 3.3Å; F448-Y451 WeakPolarHBondContact O-CB 3.4Å; F448-Y451 PolarHBondContact O-N 3.11Å; I449-Y451 PolarHBondContact O-N 2.88Å; Y451-Y453 PolarHBondContact O-N 3.39Å
452	T	79.5	Confident	63.9	Low	81 Å²	81	55.3 Å²	55.3	50%	0.497	26%	0.264	S	S	.	.			trans	-70.5	123.8	-177.9	-51.3	0	0	0	0	112.7	S155 N450	S155-T452 CarbonylContact O-C 3.57Å; S155-T452 VanDerWaalsContact O-CA 3.22Å; S155-T452 WeakPolarHBondContact O-CA 3.4Å; S155-T452 WeakPolarHBondContact O-CG2 3.44Å; N450-T452 PolarHBondContact O-N 2.98Å; N450-T452 VanDerWaalsContact O-N 3.15Å
453	Y	80.8	Confident	63	Low	57 Å²	57	50.6 Å²	50.6	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.2	178.2	170.8	-97.8	0	0	0	111.1	V142 M152 Y154 S155 Y451 R455	V142-Y453 HydrophobicContact CB-CE2 4.33Å; V142-Y453 HydrophobicContact CG1-CD2 4.17Å; V142-Y453 HydrophobicContact CG1-CE2 3.58Å; V142-Y453 HydrophobicContact CG2-CD1 3.93Å; V142-Y453 HydrophobicContact CG2-CD2 3.77Å; V142-Y453 HydrophobicContact CG2-CE1 3.97Å; V142-Y453 HydrophobicContact CG2-CE2 3.84Å; V142-Y453 HydrophobicContact CG2-CG 3.81Å; M152-Y453 HydrophobicContact CE-CD1 3.35Å; M152-Y453 HydrophobicContact CE-CE1 3.66Å; M152-Y453 HydrophobicContact CE-CG 4.11Å; Y154-Y453 WeakPolarHBondContact CA-O 3.48Å; S155-Y453 PolarHBondContact N-O 2.99Å; S155-Y453 PolarHBondContact O-N 3.04Å; S155-Y453 VanDerWaalsContact OG-CB 3.24Å; S155-Y453 WeakPolarHBondContact OG-CB 3.49Å; S155-Y453 PolarHBondContact OG-N 3.18Å; Y451-Y453 PolarHBondContact O-N 3.39Å; Y453-R455 HydrophobicContact CE1-CB 3.74Å; Y453-R455 PolarHBondContact OH-NE 2.98Å
454	K	77.5	Confident	61.8	Low	19 Å²	19	51 Å²	51	8%	0.083	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	120.8	172.9	-55.5	-168.7	-171.6	-164.9	0	110.5	L79 T82 L84 Y154	L79-K454 HydrophobicContact CD1-CD 4.43Å; L79-K454 HydrophobicContact CG-CD 4Å; L79-K454 WeakPolarHBondContact O-CD 3.49Å; L79-K454 PolarHBondContact O-NZ 3.3Å; T82-K454 PolarHBondContact O-NZ 3.12Å; L84-K454 HydrophobicContact CD1-CD 3.99Å; L84-K454 HydrophobicContact CD1-CG 4.39Å; Y154-K454 HydrophobicContact CD1-CB 4.2Å; Y154-K454 HydrophobicContact CD1-CG 4.19Å
455	R	78.6	Confident	60.3	Low	6 Å²	6	52.3 Å²	52.3	2%	0.023	29%	0.286	C	S	.	.			trans	-77.4	143.1	178.8	-173.9	158.4	-78.8	176.5	-18.2	111.7	L141 V142 M152 F153 Y453 E457 G458	L141-R455 PolarHBondContact O-NH2 2.73Å; V142-R455 PolarHBondContact O-NH2 3.22Å; M152-R455 VanDerWaalsContact O-CD 3.23Å; M152-R455 WeakPolarHBondContact O-CD 3.25Å; M152-R455 PolarHBondContact O-NE 3.34Å; M152-R455 VanDerWaalsContact O-NE 3.08Å; M152-R455 PolarHBondContact O-NH1 2.82Å; F153-R455 VanDerWaalsContact O-CB 3.31Å; F153-R455 WeakPolarHBondContact O-CB 3.12Å; F153-R455 PolarHBondContact O-N 3.13Å; Y453-R455 HydrophobicContact CE1-CB 3.74Å; Y453-R455 PolarHBondContact OH-NE 2.98Å; R455-E457 WeakPolarHBondContact CD-OE2 3.35Å; R455-E457 HydrophobicContact CG-CB 4.36Å; R455-E457 WeakPolarHBondContact CG-OE2 3.07Å; R455-G458 PolarHBondContact O-N 3.14Å; R455-G458 VanDerWaalsContact O-N 3.11Å
456	F	69.3	Low	58.8	Low	29 Å²	29	52 Å²	52	13%	0.127	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60.7	-45	178.9	-172.3	-100	0	0	0	111.9	K72 E73 F76 G458 L459	K72-F456 HydrophobicContact CB-CZ 3.99Å; E73-F456 HydrophobicContact CG-CE2 4.42Å; E73-F456 HydrophobicContact CG-CZ 4.48Å; F76-F456 HydrophobicContact CB-CD2 3.81Å; F76-F456 HydrophobicContact CB-CE2 3.71Å; F76-F456 AromaticContact CD1-CD2 3.47Å; F76-F456 HydrophobicContact CD1-CD2 3.47Å; F76-F456 VanDerWaalsContact CD1-CD2 3.47Å; F76-F456 AromaticContact CD1-CE2 3.98Å; F76-F456 HydrophobicContact CD1-CE2 3.98Å; F76-F456 HydrophobicContact CD2-CB 4.43Å; F76-F456 AromaticContact CD2-CD2 3.76Å; F76-F456 HydrophobicContact CD2-CD2 3.76Å; F76-F456 HydrophobicContact CD2-CG 4.47Å; F76-F456 HydrophobicContact CE1-CB 4.46Å; F76-F456 AromaticContact CE1-CD2 3.81Å; F76-F456 HydrophobicContact CE1-CD2 3.81Å; F76-F456 VanDerWaalsContact CE2-CA 3.42Å; F76-F456 HydrophobicContact CE2-CB 4.09Å; F76-F456 HydrophobicContact CE2-CD2 4.14Å; F76-F456 AromaticContact CG-CD2 3.4Å; F76-F456 HydrophobicContact CG-CD2 3.4Å; F76-F456 VanDerWaalsContact CG-CD2 3.4Å; F76-F456 AromaticContact CG-CE2 3.85Å; F76-F456 HydrophobicContact CG-CE2 3.85Å; F76-F456 HydrophobicContact CG-CG 4.48Å; F76-F456 HydrophobicContact CZ-CB 4.07Å; F76-F456 HydrophobicContact CZ-CD2 4.13Å; F456-G458 PolarHBondContact O-N 3.16Å; F456-G458 VanDerWaalsContact O-N 3.11Å; F456-L459 HydrophobicContact CD2-CD1 4.15Å; F456-L459 HydrophobicContact CE2-CD1 4.18Å; F456-L459 VanDerWaalsContact O-CB 3.29Å; F456-L459 WeakPolarHBondContact O-CB 3.36Å; F456-L459 VanDerWaalsContact O-CD1 3.29Å; F456-L459 WeakPolarHBondContact O-CD1 3.17Å; F456-L459 WeakPolarHBondContact O-CG 3.49Å; F456-L459 PolarHBondContact O-N 2.73Å
457	E	66.9	Low	57.3	Low	69 Å²	69	51.6 Å²	51.6	32%	0.322	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-66.2	-13.1	177.4	-62	71.4	-153.5	0	0	113	R455 L459 T460	R455-E457 WeakPolarHBondContact CD-OE2 3.35Å; R455-E457 HydrophobicContact CG-CB 4.36Å; R455-E457 WeakPolarHBondContact CG-OE2 3.07Å; E457-L459 PolarHBondContact O-N 2.59Å; E457-T460 PolarHBondContact O-N 3.33Å; E457-T460 PolarHBondContact O-OG1 3.36Å
458	G	57.7	Low	56.2	Low	6 Å²	6	56.4 Å²	56.4	6%	0.062	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-59.2	-22.6	169.1	0	0	0	0	0	112.8	Y154 R455 F456	Y154-G458 WeakPolarHBondContact OH-CA 3.41Å; Y154-G458 PolarHBondContact OH-O 2.77Å; R455-G458 PolarHBondContact O-N 3.14Å; R455-G458 VanDerWaalsContact O-N 3.11Å; F456-G458 PolarHBondContact O-N 3.16Å; F456-G458 VanDerWaalsContact O-N 3.11Å
459	L	53.6	Low	54.5	Low	29 Å²	29	60.5 Å²	60.5	15%	0.152	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-67.1	-38	171.8	-74	155.9	0	0	0	113.2	E75 F76 L79 F456 E457 A461 R462	E75-L459 HydrophobicContact CB-CD2 3.7Å; F76-L459 HydrophobicContact CB-CD1 3.47Å; F76-L459 VanDerWaalsContact CB-CD1 3.47Å; F76-L459 HydrophobicContact CD2-CD1 3.65Å; F76-L459 HydrophobicContact CD2-CG 4.33Å; F76-L459 HydrophobicContact CG-CD1 3.94Å; L79-L459 HydrophobicContact CB-CD2 4.35Å; L79-L459 HydrophobicContact CD2-CD2 4.17Å; L79-L459 HydrophobicContact CD2-CG 4.08Å; F456-L459 HydrophobicContact CD2-CD1 4.15Å; F456-L459 HydrophobicContact CE2-CD1 4.18Å; F456-L459 VanDerWaalsContact O-CB 3.29Å; F456-L459 WeakPolarHBondContact O-CB 3.36Å; F456-L459 VanDerWaalsContact O-CD1 3.29Å; F456-L459 WeakPolarHBondContact O-CD1 3.17Å; F456-L459 WeakPolarHBondContact O-CG 3.49Å; F456-L459 PolarHBondContact O-N 2.73Å; E457-L459 PolarHBondContact O-N 2.59Å; L459-A461 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.21Å; L459-R462 PolarHBondContact O-N 3.47Å
460	T	45.1	Very low	53	Low	64 Å²	64	66.4 Å²	66.4	39%	0.393	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.5	-174.1	38.8	0	0	0	0	113.9	E457 R462	E457-T460 PolarHBondContact O-N 3.33Å; E457-T460 PolarHBondContact O-OG1 3.36Å; T460-R462 CarbonylContact O-C 3.54Å; T460-R462 PolarHBondContact O-N 2.65Å; T460-R462 VanDerWaalsContact O-N 3.14Å
461	A	44.3	Very low	51.3	Low	12 Å²	12	66.6 Å²	66.6	10%	0.099	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.3	168.2	0	0	0	0	0	113	H113 Y115 L459 G463	H113-A461 HydrophobicContact CB-CB 4.38Å; H113-A461 PolarHBondContact ND1-O 2.73Å; Y115-A461 VanDerWaalsContact OH-CB 3.28Å; Y115-A461 WeakPolarHBondContact OH-CB 3.19Å; L459-A461 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.21Å; A461-G463 VanDerWaalsContact C-N 3.32Å; A461-G463 PolarHBondContact O-N 3.03Å
462	R	38.2	Very low	49.5	Very low	144 Å²	144	72.3 Å²	72.3	54%	0.543	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	88.6	156.3	-74.7	-174.7	178.5	-164.5	-4.4	109.8	D110 T111 L459 T460 A464	D110-R462 IonicContact OD2-NH2 2.8Å; T111-R462 HydrophobicContact CG2-CG 3.52Å; L459-R462 PolarHBondContact O-N 3.47Å; T460-R462 CarbonylContact O-C 3.54Å; T460-R462 PolarHBondContact O-N 2.65Å; T460-R462 VanDerWaalsContact O-N 3.14Å; R462-A464 PolarHBondContact O-N 3.02Å
463	G	35.3	Very low	47.2	Very low	70 Å²	70	78.3 Å²	78.3	72%	0.722	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	24.7	153.5	0	0	0	0	0	117.5	A461 I465	A461-G463 VanDerWaalsContact C-N 3.32Å; A461-G463 PolarHBondContact O-N 3.03Å; G463-I465 VanDerWaalsContact C-N 3.3Å; G463-I465 PolarHBondContact O-N 2.87Å; G463-I465 VanDerWaalsContact O-N 3.13Å
464	A	30.2	Very low	44.9	Very low	76 Å²	76	90.7 Å²	90.7	63%	0.628	48%	0.483	S	S	*	.			trans	-78.2	91.2	155.5	0	0	0	0	0	108	R462 P466	R462-A464 PolarHBondContact O-N 3.02Å; A464-P466 VanDerWaalsContact O-CD 3.29Å; A464-P466 WeakPolarHBondContact O-CD 3.23Å; A464-P466 VanDerWaalsContact O-N 3.12Å
465	I	31.2	Very low	43.3	Very low	113 Å²	113	94.3 Å²	94.3	58%	0.579	50%	0.503	S	S	*	.			trans	-49	117.6	159	-68.7	176.7	0	0	0	106	G463 S467 M469	G463-I465 VanDerWaalsContact C-N 3.3Å; G463-I465 PolarHBondContact O-N 2.87Å; G463-I465 VanDerWaalsContact O-N 3.13Å; I465-S467 PolarHBondContact O-N 3.44Å; I465-M469 HydrophobicContact CG2-CB 3.17Å; I465-M469 HydrophobicContact CG2-CG 4.07Å; I465-M469 HydrophobicContact CG2-SD 3.81Å
466	P	34.9	Very low	41.4	Very low	48 Å²	48	98.9 Å²	98.9	31%	0.312	53%	0.529	S	S	.	.			trans	-52.1	144.9	-179.9	-29.2	37.4	0	0	0	110.6	A464 Y468 M469	A464-P466 VanDerWaalsContact O-CD 3.29Å; A464-P466 WeakPolarHBondContact O-CD 3.23Å; A464-P466 VanDerWaalsContact O-N 3.12Å; P466-Y468 HydrophobicContact CB-CD1 3.34Å; P466-Y468 HydrophobicContact CB-CD2 4.34Å; P466-Y468 HydrophobicContact CB-CE1 3Å; P466-Y468 HydrophobicContact CB-CE2 4.06Å; P466-Y468 HydrophobicContact CB-CG 4.01Å; P466-Y468 HydrophobicContact CG-CD1 4.42Å; P466-Y468 HydrophobicContact CG-CE1 3.64Å; P466-Y468 HydrophobicContact CG-CE2 4.38Å; P466-Y468 WeakPolarHBondContact CG-OH 3.34Å; P466-Y468 PolarHBondContact O-N 3.04Å; P466-M469 WeakPolarHBondContact O-CB 3.39Å; P466-M469 PolarHBondContact O-N 3.4Å
467	S	32.8	Very low	39.9	Very low	107 Å²	107	102.8 Å²	102.8	75%	0.748	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-53.2	-26.6	-176.9	47.2	0	0	0	0	113.4	I465 M469 K470	I465-S467 PolarHBondContact O-N 3.44Å; S467-M469 VanDerWaalsContact C-N 3.28Å; S467-M469 PolarHBondContact O-N 3.1Å; S467-K470 PolarHBondContact O-N 2.62Å
468	Y	44.8	Very low	38.3	Very low	133 Å²	133	104.8 Å²	104.8	52%	0.522	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-69.4	-16.2	175.1	65.1	-105.6	0	0	0	115	P466	P466-Y468 HydrophobicContact CB-CD1 3.34Å; P466-Y468 HydrophobicContact CB-CD2 4.34Å; P466-Y468 HydrophobicContact CB-CE1 3Å; P466-Y468 HydrophobicContact CB-CE2 4.06Å; P466-Y468 HydrophobicContact CB-CG 4.01Å; P466-Y468 HydrophobicContact CG-CD1 4.42Å; P466-Y468 HydrophobicContact CG-CE1 3.64Å; P466-Y468 HydrophobicContact CG-CE2 4.38Å; P466-Y468 WeakPolarHBondContact CG-OH 3.34Å; P466-Y468 PolarHBondContact O-N 3.04Å
469	M	36.1	Very low	37	Very low	94 Å²	94	110.9 Å²	110.9	46%	0.463	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-89.5	-4.5	173.1	-84.5	-167.9	-147.7	0	0	112.9	I404 I465 P466 S467 G471	I404-M469 HydrophobicContact CG2-CE 3.71Å; I465-M469 HydrophobicContact CG2-CB 3.17Å; I465-M469 HydrophobicContact CG2-CG 4.07Å; I465-M469 HydrophobicContact CG2-SD 3.81Å; P466-M469 WeakPolarHBondContact O-CB 3.39Å; P466-M469 PolarHBondContact O-N 3.4Å; S467-M469 VanDerWaalsContact C-N 3.28Å; S467-M469 PolarHBondContact O-N 3.1Å; M469-G471 PolarHBondContact O-N 2.95Å
470	K	34.6	Very low	35.9	Very low	174 Å²	174	116.4 Å²	116.4	76%	0.757	63%	0.625	S	S	*	*			trans	-76.9	75.5	165.1	-72.4	-174.3	178.9	-180	0	108.5	S467 S472	S467-K470 PolarHBondContact O-N 2.62Å; K470-S472 PolarHBondContact O-N 3.06Å
471	G	30.9	Very low	35.3	Very low	62 Å²	62	120.1 Å²	120.1	64%	0.639	64%	0.642	S	S	*	*			trans	-55.9	128.6	168.1	0	0	0	0	0	109.7	M469 K473	M469-G471 PolarHBondContact O-N 2.95Å; G471-K473 VanDerWaalsContact C-N 3.34Å; G471-K473 PolarHBondContact O-N 2.69Å
472	S	36.4	Very low	34.6	Very low	126 Å²	126	128.5 Å²	128.5	88%	0.881	68%	0.684	S	S	*	*			trans	-54.7	94.5	169.3	-68.6	0	0	0	0	109.9	K470 R474	K470-S472 PolarHBondContact O-N 3.06Å; S472-R474 PolarHBondContact O-N 2.73Å
473	K	32.4	Very low	34.3	Very low	207 Å²	207	127.2 Å²	127.2	90%	0.9	70%	0.695	S	S	*	*			trans	-80	98.9	154.8	-74.8	-171.6	176.8	-176.9	0	106.8	G471	G471-K473 VanDerWaalsContact C-N 3.34Å; G471-K473 PolarHBondContact O-N 2.69Å
474	R	31.8	Very low	34.2	Very low	316 Å²	316	132.4 Å²	132.4	100%	1.192	69%	0.693	S	S	*	*			trans	-93.3	0	144	-85.9	-171.3	177.6	-177.4	0.4	107.7	S472	S472-R474 PolarHBondContact O-N 2.73Å

Retrieved 474 of 474 residues in 1315.2 ms (Link to these results)

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