A0A087YSN3_POEFO Loading...

Fidgetin-like protein 1

AlphaFold DB , UniProt , Accession A0A087YSN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 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	W	32.1	Very low	47.7	Very low	311 Å²	311	111.8 Å²	111.8	100%	1.178	62%	0.619	S	S	*	*				0	132.1	0	-75.5	62.4	0	0	0	107
2	S	37	Very low	49	Very low	116 Å²	116	113.9 Å²	113.9	81%	0.811	62%	0.62	S	S	*	*			trans	-135.5	117.8	-160.7	-56.4	0	0	0	0	112.5
3	R	42.8	Very low	50.3	Low	248 Å²	248	112.1 Å²	112.1	94%	0.936	61%	0.605	S	S	*	*			trans	67.3	158.2	176.1	-69.1	-175	175.9	-160.7	-2.4	114.5
4	P	43.8	Very low	51.7	Low	106 Å²	106	110.2 Å²	110.2	69%	0.688	59%	0.585	S	S	*	*			cis	-124	-178.7	14	42.9	-29.8	0	0	0	116.3	M6	P4-M6 PolarHBondContact O-N 2.74Å
5	G	39.9	Very low	52.9	Low	58 Å²	58	110.3 Å²	110.3	60%	0.598	58%	0.581	S	S	*	*			trans	105.3	-42.9	137.5	0	0	0	0	0	119
6	M	46.8	Very low	54.1	Low	77 Å²	77	111.1 Å²	111.1	38%	0.379	58%	0.58	S	S	.	*			trans	-70	141.6	-170.8	-62.9	179.6	75.9	0	0	113.1	P4 H10 W14	P4-M6 PolarHBondContact O-N 2.74Å; M6-H10 HydrophobicContact CE-CB 4.34Å; M6-H10 WeakPolarHBondContact CE-ND1 3.5Å; M6-W14 HydrophobicContact CE-CB 4.38Å
7	S	54	Low	55.1	Low	77 Å²	77	108.3 Å²	108.3	54%	0.538	56%	0.56	S	S	.	*			trans	-70.6	150.9	170.9	66.4	0	0	0	0	110.8	A9 H10 L11	S7-A9 PolarHBondContact O-N 2.89Å; S7-H10 PolarHBondContact O-N 2.7Å; S7-H10 WeakPolarHBondContact OG-CB 3.41Å; S7-L11 PolarHBondContact O-N 3.17Å
8	G	53.2	Low	56.1	Low	49 Å²	49	103.7 Å²	103.7	51%	0.505	54%	0.539	S	S	.	.	H	α-helix	trans	-53.1	-49.8	-174.2	0	0	0	0	0	113.5	H10 L11 E12	G8-H10 VanDerWaalsContact C-N 3.31Å; G8-H10 PolarHBondContact O-N 2.92Å; G8-L11 WeakPolarHBondContact O-CB 3.49Å; G8-L11 PolarHBondContact O-N 2.82Å; G8-L11 VanDerWaalsContact O-N 3.1Å; G8-E12 WeakPolarHBondContact O-CG 3.28Å; G8-E12 PolarHBondContact O-N 3.1Å
9	A	55	Low	56.8	Low	70 Å²	70	106.3 Å²	106.3	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-60.3	-36.6	177.4	0	0	0	0	0	113.2	S7 L11 E13	S7-A9 PolarHBondContact O-N 2.89Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-E13 VanDerWaalsContact O-CB 3.3Å; A9-E13 WeakPolarHBondContact O-CB 3.43Å; A9-E13 PolarHBondContact O-N 3.42Å
10	H	59	Low	57.3	Low	44 Å²	44	103.3 Å²	103.3	20%	0.204	53%	0.531	C	S	.	.	H	α-helix	trans	-72.5	-30.6	177.7	-161.4	-24.5	0	0	0	111.6	M6 S7 G8 W14 S41	M6-H10 HydrophobicContact CE-CB 4.34Å; M6-H10 WeakPolarHBondContact CE-ND1 3.5Å; S7-H10 PolarHBondContact O-N 2.7Å; S7-H10 WeakPolarHBondContact OG-CB 3.41Å; G8-H10 VanDerWaalsContact C-N 3.31Å; G8-H10 PolarHBondContact O-N 2.92Å; H10-W14 VanDerWaalsContact O-CB 3.24Å; H10-W14 WeakPolarHBondContact O-CB 3.5Å; H10-W14 PolarHBondContact O-N 3.26Å; H10-W14 VanDerWaalsContact O-N 3.1Å; H10-S41 PolarHBondContact CE1-OG 2.97Å
11	L	60.7	Low	58.1	Low	74 Å²	74	99.4 Å²	99.4	39%	0.387	51%	0.511	S	S	.	.	H	α-helix	trans	-71.7	-44.1	173.4	-175.4	64	0	0	0	111.6	S7 G8 A9 W14 Q15	S7-L11 PolarHBondContact O-N 3.17Å; G8-L11 WeakPolarHBondContact O-CB 3.49Å; G8-L11 PolarHBondContact O-N 2.82Å; G8-L11 VanDerWaalsContact O-N 3.1Å; A9-L11 VanDerWaalsContact C-N 3.35Å; L11-W14 PolarHBondContact O-N 3.08Å; L11-Q15 WeakPolarHBondContact O-CB 3.45Å; L11-Q15 VanDerWaalsContact O-CG 3.29Å; L11-Q15 WeakPolarHBondContact O-CG 3.49Å; L11-Q15 PolarHBondContact O-N 3.04Å
12	E	63.4	Low	59.8	Low	137 Å²	137	89.5 Å²	89.5	64%	0.64	49%	0.489	S	S	*	.	H	α-helix	trans	-60.3	-46.1	175.3	-71.9	171.8	169.4	0	0	111.4	G8 W14 Q15 H16	G8-E12 WeakPolarHBondContact O-CG 3.28Å; G8-E12 PolarHBondContact O-N 3.1Å; E12-W14 PolarHBondContact O-N 3.32Å; E12-Q15 PolarHBondContact O-N 3.22Å; E12-H16 PolarHBondContact O-N 3.03Å
13	E	65.6	Low	61.3	Low	90 Å²	90	84.9 Å²	84.9	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-66.3	-36.6	178.4	-164.8	-174.2	-136.2	0	0	112.5	A9 R17	A9-E13 VanDerWaalsContact O-CB 3.3Å; A9-E13 WeakPolarHBondContact O-CB 3.43Å; A9-E13 PolarHBondContact O-N 3.42Å; E13-R17 WeakPolarHBondContact O-CG 3.48Å; E13-R17 PolarHBondContact O-N 2.76Å; E13-R17 VanDerWaalsContact O-N 3.1Å; E13-R17 IonicContact OE1-CZ 3.28Å; E13-R17 IonicContact OE1-NH1 3.73Å; E13-R17 IonicContact OE1-NH2 2.75Å; E13-R17 PolarHBondContact OE1-NH2 3.02Å; E13-R17 IonicContact OE2-CZ 3.99Å; E13-R17 IonicContact OE2-NH1 3.12Å; E13-R17 PolarHBondContact OE2-NH1 2.94Å; E13-R17 IonicContact OE2-NH2 2.76Å; E13-R17 PolarHBondContact OE2-NH2 2.82Å
14	W	70.3	Confident	62.2	Low	86 Å²	86	77.1 Å²	77.1	33%	0.326	45%	0.454	S	S	.	.	H	α-helix	trans	-69.5	-35.3	174.7	-167.6	99.1	0	0	0	111.8	M6 H10 L11 E12 S18 H38	M6-W14 HydrophobicContact CE-CB 4.38Å; H10-W14 VanDerWaalsContact O-CB 3.24Å; H10-W14 WeakPolarHBondContact O-CB 3.5Å; H10-W14 PolarHBondContact O-N 3.26Å; H10-W14 VanDerWaalsContact O-N 3.1Å; L11-W14 PolarHBondContact O-N 3.08Å; E12-W14 PolarHBondContact O-N 3.32Å; W14-S18 VanDerWaalsContact O-CB 3.32Å; W14-S18 WeakPolarHBondContact O-CB 3.49Å; W14-S18 PolarHBondContact O-N 2.95Å; W14-S18 PolarHBondContact O-OG 2.96Å; W14-H38 AromaticContact CD1-CE1 3.7Å; W14-H38 AromaticContact CD1-ND1 3.36Å; W14-H38 AromaticContact CE2-CE1 3.94Å; W14-H38 AromaticContact CE2-ND1 3.8Å; W14-H38 AromaticContact CG-CE1 3.87Å; W14-H38 AromaticContact CG-ND1 3.98Å; W14-H38 AromaticContact NE1-CE1 3.74Å; W14-H38 AromaticContact NE1-ND1 3.22Å; W14-H38 PolarHBondContact NE1-ND1 3.16Å; W14-H38 PolarHBondContact O-CE1 2.96Å
15	Q	70.4	Confident	63.2	Low	112 Å²	112	77.2 Å²	77.2	52%	0.523	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-42.2	173.4	-74.7	174.7	1.9	0	0	112.1	L11 E12 S18 F19	L11-Q15 WeakPolarHBondContact O-CB 3.45Å; L11-Q15 VanDerWaalsContact O-CG 3.29Å; L11-Q15 WeakPolarHBondContact O-CG 3.49Å; L11-Q15 PolarHBondContact O-N 3.04Å; E12-Q15 PolarHBondContact O-N 3.22Å; Q15-S18 PolarHBondContact O-N 3.14Å; Q15-F19 PolarHBondContact O-N 3.4Å
16	H	71.4	Confident	64.6	Low	122 Å²	122	75.1 Å²	75.1	57%	0.565	43%	0.433	S	S	*	.	H	α-helix	trans	-58.8	-54.2	176	-164.7	-56.7	0	0	0	110.9	E12 S18 F19 D20	E12-H16 PolarHBondContact O-N 3.03Å; H16-S18 VanDerWaalsContact C-N 3.29Å; H16-S18 PolarHBondContact O-N 3.47Å; H16-F19 CarbonylContact O-C 3.58Å; H16-F19 WeakPolarHBondContact O-CA 3.23Å; H16-F19 WeakPolarHBondContact O-CB 3.14Å; H16-F19 PolarHBondContact O-N 2.95Å; H16-D20 IonicContact CE1-OD1 3.35Å; H16-D20 PolarHBondContact CE1-OD1 3.32Å; H16-D20 IonicContact CE1-OD2 3.47Å; H16-D20 PolarHBondContact CE1-OD2 2.97Å; H16-D20 IonicContact CG-OD2 2.7Å; H16-D20 IonicContact ND1-OD1 3.31Å; H16-D20 PolarHBondContact ND1-OD1 3.13Å; H16-D20 IonicContact ND1-OD2 2.77Å; H16-D20 PolarHBondContact ND1-OD2 3.03Å; H16-D20 VanDerWaalsContact O-CG 3.23Å; H16-D20 PolarHBondContact O-N 3.39Å; H16-D20 VanDerWaalsContact O-OD2 3.05Å
17	R	71.7	Confident	66	Low	64 Å²	64	74 Å²	74	24%	0.242	43%	0.431	C	S	.	.	H	α-helix	trans	-61.2	-35.9	178.9	-68.1	173.2	177	138.7	8.6	113	E13 F19 D20 I21 H38	E13-R17 WeakPolarHBondContact O-CG 3.48Å; E13-R17 PolarHBondContact O-N 2.76Å; E13-R17 VanDerWaalsContact O-N 3.1Å; E13-R17 IonicContact OE1-CZ 3.28Å; E13-R17 IonicContact OE1-NH1 3.73Å; E13-R17 IonicContact OE1-NH2 2.75Å; E13-R17 PolarHBondContact OE1-NH2 3.02Å; E13-R17 IonicContact OE2-CZ 3.99Å; E13-R17 IonicContact OE2-NH1 3.12Å; E13-R17 PolarHBondContact OE2-NH1 2.94Å; E13-R17 IonicContact OE2-NH2 2.76Å; E13-R17 PolarHBondContact OE2-NH2 2.82Å; R17-F19 VanDerWaalsContact C-N 3.32Å; R17-F19 PolarHBondContact O-N 2.97Å; R17-D20 WeakPolarHBondContact CA-OD2 3.37Å; R17-D20 PolarHBondContact O-N 3.28Å; R17-I21 WeakPolarHBondContact O-CD1 3.35Å; R17-I21 WeakPolarHBondContact O-CG1 3.42Å; R17-I21 PolarHBondContact O-N 3.25Å; R17-H38 WeakPolarHBondContact CB-NE2 3.05Å
18	S	71.8	Confident	66.9	Low	26 Å²	26	71.9 Å²	71.9	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-64.6	-36.8	173.3	-60.9	0	0	0	0	112.3	W14 Q15 H16 S22 H38	W14-S18 VanDerWaalsContact O-CB 3.32Å; W14-S18 WeakPolarHBondContact O-CB 3.49Å; W14-S18 PolarHBondContact O-N 2.95Å; W14-S18 PolarHBondContact O-OG 2.96Å; Q15-S18 PolarHBondContact O-N 3.14Å; H16-S18 VanDerWaalsContact C-N 3.29Å; H16-S18 PolarHBondContact O-N 3.47Å; S18-S22 VanDerWaalsContact O-CB 3.31Å; S18-S22 WeakPolarHBondContact O-CB 3.32Å; S18-S22 PolarHBondContact O-N 3.2Å; S18-S22 VanDerWaalsContact O-N 3.12Å; S18-S22 PolarHBondContact O-OG 3.36Å; S18-H38 PolarHBondContact N-NE2 2.92Å; S18-H38 PolarHBondContact OG-CE1 3.42Å
19	F	70	Confident	67.8	Low	152 Å²	152	76 Å²	76	67%	0.667	42%	0.421	S	S	*	.	H	α-helix	trans	-70.1	-43.5	174.2	-172.6	-92.5	0	0	0	111.3	Q15 H16 R17 I21 S22 S23	Q15-F19 PolarHBondContact O-N 3.4Å; H16-F19 CarbonylContact O-C 3.58Å; H16-F19 WeakPolarHBondContact O-CA 3.23Å; H16-F19 WeakPolarHBondContact O-CB 3.14Å; H16-F19 PolarHBondContact O-N 2.95Å; R17-F19 VanDerWaalsContact C-N 3.32Å; R17-F19 PolarHBondContact O-N 2.97Å; F19-I21 VanDerWaalsContact C-N 3.35Å; F19-I21 PolarHBondContact O-N 2.93Å; F19-S22 CarbonylContact O-C 3.51Å; F19-S22 PolarHBondContact O-N 3.44Å; F19-S22 VanDerWaalsContact O-N 3.1Å; F19-S23 WeakPolarHBondContact O-CB 3.46Å; F19-S23 PolarHBondContact O-N 3.14Å
20	D	66.5	Low	68.8	Low	47 Å²	47	77.9 Å²	77.9	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-56.3	-48.3	176.7	-59.6	-43.3	0	0	0	111.2	H16 R17 S22 S23 C26	H16-D20 IonicContact CE1-OD1 3.35Å; H16-D20 PolarHBondContact CE1-OD1 3.32Å; H16-D20 IonicContact CE1-OD2 3.47Å; H16-D20 PolarHBondContact CE1-OD2 2.97Å; H16-D20 IonicContact CG-OD2 2.7Å; H16-D20 IonicContact ND1-OD1 3.31Å; H16-D20 PolarHBondContact ND1-OD1 3.13Å; H16-D20 IonicContact ND1-OD2 2.77Å; H16-D20 PolarHBondContact ND1-OD2 3.03Å; H16-D20 VanDerWaalsContact O-CG 3.23Å; H16-D20 PolarHBondContact O-N 3.39Å; H16-D20 VanDerWaalsContact O-OD2 3.05Å; R17-D20 WeakPolarHBondContact CA-OD2 3.37Å; R17-D20 PolarHBondContact O-N 3.28Å; D20-S22 VanDerWaalsContact C-N 3.35Å; D20-S22 PolarHBondContact O-N 3.14Å; D20-S23 PolarHBondContact O-N 2.99Å; D20-S23 PolarHBondContact O-OG 3.17Å; D20-C26 WeakPolarHBondContact O-CB 3.37Å
21	I	73.6	Confident	69.8	Low	22 Å²	22	78.2 Å²	78.2	11%	0.113	42%	0.419	C	S	.	.	H	α-helix	trans	-60.5	-41.6	175.1	-75.4	162	0	0	0	112.2	R17 F19 S23 A34 Y35 H38	R17-I21 WeakPolarHBondContact O-CD1 3.35Å; R17-I21 WeakPolarHBondContact O-CG1 3.42Å; R17-I21 PolarHBondContact O-N 3.25Å; F19-I21 VanDerWaalsContact C-N 3.35Å; F19-I21 PolarHBondContact O-N 2.93Å; I21-S23 VanDerWaalsContact C-N 3.27Å; I21-S23 PolarHBondContact O-N 2.81Å; I21-A34 HydrophobicContact CD1-CB 3.73Å; I21-A34 HydrophobicContact CG1-CB 3.62Å; I21-Y35 HydrophobicContact CD1-CD1 3.53Å; I21-Y35 HydrophobicContact CD1-CE1 3.69Å; I21-Y35 HydrophobicContact CD1-CG 4.27Å; I21-Y35 HydrophobicContact CG1-CD1 4.2Å; I21-Y35 HydrophobicContact CG1-CE1 4.07Å; I21-Y35 HydrophobicContact CG2-CE1 3.62Å; I21-H38 VanDerWaalsContact CD1-CD2 3.41Å; I21-H38 WeakPolarHBondContact CD1-CD2 3.45Å
22	S	67.9	Low	70.7	Confident	103 Å²	103	74.9 Å²	74.9	72%	0.72	40%	0.402	S	S	*	.	H	α-helix	trans	-78.6	-11.9	-178.1	-54.7	0	0	0	0	113	S18 F19 D20	S18-S22 VanDerWaalsContact O-CB 3.31Å; S18-S22 WeakPolarHBondContact O-CB 3.32Å; S18-S22 PolarHBondContact O-N 3.2Å; S18-S22 VanDerWaalsContact O-N 3.12Å; S18-S22 PolarHBondContact O-OG 3.36Å; F19-S22 CarbonylContact O-C 3.51Å; F19-S22 PolarHBondContact O-N 3.44Å; F19-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 VanDerWaalsContact C-N 3.35Å; D20-S22 PolarHBondContact O-N 3.14Å
23	S	68.7	Low	71.4	Confident	19 Å²	19	72.7 Å²	72.7	13%	0.133	40%	0.395	C	S	.	.			trans	-80.9	132.9	-178.4	77.8	0	0	0	0	111.9	F19 D20 I21 S25 C26	F19-S23 WeakPolarHBondContact O-CB 3.46Å; F19-S23 PolarHBondContact O-N 3.14Å; D20-S23 PolarHBondContact O-N 2.99Å; D20-S23 PolarHBondContact O-OG 3.17Å; I21-S23 VanDerWaalsContact C-N 3.27Å; I21-S23 PolarHBondContact O-N 2.81Å; S23-S25 PolarHBondContact O-N 3.38Å; S23-S25 PolarHBondContact OG-OG 3.25Å; S23-C26 WeakPolarHBondContact OG-CB 3.41Å
24	G	62	Low	72.2	Confident	84 Å²	84	68.9 Å²	68.9	87%	0.866	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.9	174.8	0	0	0	0	0	114.1
25	S	65.2	Low	72.9	Confident	109 Å²	109	66.1 Å²	66.1	76%	0.762	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.3	-174.8	45.7	0	0	0	0	115.4	S23	S23-S25 PolarHBondContact O-N 3.38Å; S23-S25 PolarHBondContact OG-OG 3.25Å
26	C	70.4	Confident	73.5	Confident	14 Å²	14	66.7 Å²	66.7	10%	0.095	37%	0.366	C	S	.	.			trans	-84.4	136	-174.2	-178.1	0	0	0	0	111.9	D20 S23 Q30 K31	D20-C26 WeakPolarHBondContact O-CB 3.37Å; S23-C26 WeakPolarHBondContact OG-CB 3.41Å; C26-Q30 WeakPolarHBondContact SG-CB 3.29Å; C26-K31 HydrophobicContact CB-CG 4.27Å; C26-K31 VanDerWaalsContact O-CE 3.3Å; C26-K31 WeakPolarHBondContact O-CE 3.24Å; C26-K31 PolarHBondContact O-NZ 3.04Å
27	T	75.2	Confident	74	Confident	53 Å²	53	61.9 Å²	61.9	33%	0.325	35%	0.347	S	S	.	.			trans	-71.6	160.6	-176.5	71.9	0	0	0	0	112.2	E29 Q30 K31	T27-E29 VanDerWaalsContact C-N 3.28Å; T27-E29 PolarHBondContact O-N 2.72Å; T27-Q30 VanDerWaalsContact N-OE1 3.12Å; T27-Q30 PolarHBondContact O-N 3.19Å; T27-Q30 VanDerWaalsContact OG1-CG 3.27Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.27Å; T27-Q30 PolarHBondContact OG1-N 3.2Å; T27-Q30 PolarHBondContact OG1-OE1 2.96Å; T27-K31 WeakPolarHBondContact O-CG 3.4Å; T27-K31 PolarHBondContact O-N 3.1Å
28	P	72.1	Confident	74.5	Confident	33 Å²	33	58.9 Å²	58.9	21%	0.214	34%	0.336	C	S	.	.	H	α-helix	trans	-52.7	-42.8	172.6	-31.4	39.8	0	0	0	113.4	K31 A32 V70 T78 L80	P28-K31 PolarHBondContact O-N 3.12Å; P28-A32 WeakPolarHBondContact O-CB 3.44Å; P28-A32 PolarHBondContact O-N 2.71Å; P28-V70 HydrophobicContact CB-CG1 4.36Å; P28-V70 WeakPolarHBondContact O-CG1 3.41Å; P28-T78 WeakPolarHBondContact CB-O 3.21Å; P28-L80 VanDerWaalsContact C-CD1 3.45Å; P28-L80 HydrophobicContact CB-CD1 3.52Å
29	E	72.9	Confident	75.1	Confident	136 Å²	136	59 Å²	59	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-60.9	-47.7	177.6	-61.1	175.2	150.2	0	0	111.7	T27 K31 A32 D33 L80	T27-E29 VanDerWaalsContact C-N 3.28Å; T27-E29 PolarHBondContact O-N 2.72Å; E29-K31 PolarHBondContact O-N 3.18Å; E29-A32 WeakPolarHBondContact O-CB 3.47Å; E29-A32 PolarHBondContact O-N 3.12Å; E29-D33 PolarHBondContact O-N 2.94Å; E29-L80 HydrophobicContact CB-CD1 4.33Å; E29-L80 HydrophobicContact CG-CD1 3.8Å
30	Q	76.4	Confident	75.8	Confident	108 Å²	108	57 Å²	57	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-36.7	-179.8	-69.1	166.2	-10.9	0	0	111.7	C26 T27 A34	C26-Q30 WeakPolarHBondContact SG-CB 3.29Å; T27-Q30 VanDerWaalsContact N-OE1 3.12Å; T27-Q30 PolarHBondContact O-N 3.19Å; T27-Q30 VanDerWaalsContact OG1-CG 3.27Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.27Å; T27-Q30 PolarHBondContact OG1-N 3.2Å; T27-Q30 PolarHBondContact OG1-OE1 2.96Å; Q30-A34 VanDerWaalsContact O-CB 3.23Å; Q30-A34 WeakPolarHBondContact O-CB 3.36Å; Q30-A34 PolarHBondContact O-N 2.76Å
31	K	79.6	Confident	76.6	Confident	52 Å²	52	55.5 Å²	55.5	23%	0.226	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-44.1	171.9	-76.9	166.6	173.4	146.8	0	111.7	C26 T27 P28 E29 A34 Y35	C26-K31 HydrophobicContact CB-CG 4.27Å; C26-K31 VanDerWaalsContact O-CE 3.3Å; C26-K31 WeakPolarHBondContact O-CE 3.24Å; C26-K31 PolarHBondContact O-NZ 3.04Å; T27-K31 WeakPolarHBondContact O-CG 3.4Å; T27-K31 PolarHBondContact O-N 3.1Å; P28-K31 PolarHBondContact O-N 3.12Å; E29-K31 PolarHBondContact O-N 3.18Å; K31-A34 PolarHBondContact O-N 3.4Å; K31-Y35 WeakPolarHBondContact O-CD2 3.22Å; K31-Y35 PolarHBondContact O-N 2.96Å
32	A	79.6	Confident	77.1	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-49.9	177.6	0	0	0	0	0	111.5	P28 E29 Y35 R36 Y67 V70 L80	P28-A32 WeakPolarHBondContact O-CB 3.44Å; P28-A32 PolarHBondContact O-N 2.71Å; E29-A32 WeakPolarHBondContact O-CB 3.47Å; E29-A32 PolarHBondContact O-N 3.12Å; A32-Y35 PolarHBondContact O-N 3.38Å; A32-R36 WeakPolarHBondContact O-CG 3.28Å; A32-R36 PolarHBondContact O-N 2.71Å; A32-Y67 HydrophobicContact CB-CD2 4.37Å; A32-Y67 HydrophobicContact CB-CE2 4.02Å; A32-Y67 WeakPolarHBondContact O-CD2 3.14Å; A32-V70 HydrophobicContact CB-CG1 4.04Å; A32-L80 HydrophobicContact CB-CD2 4.25Å
33	D	78.8	Confident	77.8	Confident	91 Å²	91	54 Å²	54	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-34.5	178.6	-86.8	-14.1	0	0	0	113.2	E29 R36 A37	E29-D33 PolarHBondContact O-N 2.94Å; D33-R36 PolarHBondContact O-N 3.25Å; D33-R36 WeakPolarHBondContact OD1-CD 3.48Å; D33-R36 IonicContact OD1-CZ 2.76Å; D33-R36 IonicContact OD1-NE 3.94Å; D33-R36 IonicContact OD1-NH1 3.94Å; D33-R36 PolarHBondContact OD1-NH1 2.74Å; D33-A37 WeakPolarHBondContact O-CB 3.45Å; D33-A37 PolarHBondContact O-N 2.87Å
34	A	81.5	Confident	78.5	Confident	10 Å²	10	60.1 Å²	60.1	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-43.5	171.7	0	0	0	0	0	111.7	I21 Q30 K31 A37 H38	I21-A34 HydrophobicContact CD1-CB 3.73Å; I21-A34 HydrophobicContact CG1-CB 3.62Å; Q30-A34 VanDerWaalsContact O-CB 3.23Å; Q30-A34 WeakPolarHBondContact O-CB 3.36Å; Q30-A34 PolarHBondContact O-N 2.76Å; K31-A34 PolarHBondContact O-N 3.4Å; A34-A37 PolarHBondContact O-N 3.45Å; A34-H38 PolarHBondContact O-CD2 2.88Å; A34-H38 PolarHBondContact O-N 3.01Å
35	Y	85.3	Confident	79.4	Confident	27 Å²	27	57 Å²	57	11%	0.106	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-41.7	174.3	-73.6	-45.9	0	0	0	112.6	I21 K31 A32 A37 H38 I39 Y63 R66 V70	I21-Y35 HydrophobicContact CD1-CD1 3.53Å; I21-Y35 HydrophobicContact CD1-CE1 3.69Å; I21-Y35 HydrophobicContact CD1-CG 4.27Å; I21-Y35 HydrophobicContact CG1-CD1 4.2Å; I21-Y35 HydrophobicContact CG1-CE1 4.07Å; I21-Y35 HydrophobicContact CG2-CE1 3.62Å; K31-Y35 WeakPolarHBondContact O-CD2 3.22Å; K31-Y35 PolarHBondContact O-N 2.96Å; A32-Y35 PolarHBondContact O-N 3.38Å; Y35-A37 VanDerWaalsContact C-N 3.32Å; Y35-A37 PolarHBondContact O-N 3.47Å; Y35-H38 PolarHBondContact O-N 2.89Å; Y35-I39 WeakPolarHBondContact O-CG1 3.37Å; Y35-I39 PolarHBondContact O-N 3.37Å; Y35-Y63 AromaticContact CD1-CD1 3.73Å; Y35-Y63 HydrophobicContact CD1-CD1 3.73Å; Y35-Y63 HydrophobicContact CD1-CE1 4.19Å; Y35-Y63 HydrophobicContact CE1-CD1 4.02Å; Y35-Y63 HydrophobicContact CE1-CE1 4.22Å; Y35-R66 HydrophobicContact CD1-CB 4.46Å; Y35-R66 HydrophobicContact CD2-CB 4.49Å; Y35-R66 HydrophobicContact CE1-CB 3.94Å; Y35-R66 HydrophobicContact CE2-CB 3.99Å; Y35-V70 HydrophobicContact CD2-CG2 4.36Å; Y35-V70 HydrophobicContact CE2-CG2 3.98Å
36	R	83.6	Confident	80.1	Confident	125 Å²	125	58 Å²	58	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-42.2	173.9	-65.6	166.1	83.9	-170.2	11.7	111.8	A32 D33 H38 I39 L40 Y67	A32-R36 WeakPolarHBondContact O-CG 3.28Å; A32-R36 PolarHBondContact O-N 2.71Å; D33-R36 PolarHBondContact O-N 3.25Å; D33-R36 WeakPolarHBondContact OD1-CD 3.48Å; D33-R36 IonicContact OD1-CZ 2.76Å; D33-R36 IonicContact OD1-NE 3.94Å; D33-R36 IonicContact OD1-NH1 3.94Å; D33-R36 PolarHBondContact OD1-NH1 2.74Å; R36-H38 VanDerWaalsContact C-N 3.35Å; R36-H38 PolarHBondContact O-N 3.47Å; R36-I39 PolarHBondContact O-N 3.34Å; R36-L40 WeakPolarHBondContact O-CG 3.43Å; R36-L40 PolarHBondContact O-N 2.9Å; R36-Y67 WeakPolarHBondContact CD-OH 3.43Å; R36-Y67 HydrophobicContact CG-CD2 3.88Å; R36-Y67 HydrophobicContact CG-CE1 4.49Å; R36-Y67 HydrophobicContact CG-CE2 3.32Å
37	A	80.3	Confident	80.6	Confident	21 Å²	21	61.2 Å²	61.2	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-36	177.1	0	0	0	0	0	112.6	D33 A34 Y35 S41	D33-A37 WeakPolarHBondContact O-CB 3.45Å; D33-A37 PolarHBondContact O-N 2.87Å; A34-A37 PolarHBondContact O-N 3.45Å; Y35-A37 VanDerWaalsContact C-N 3.32Å; Y35-A37 PolarHBondContact O-N 3.47Å; A37-S41 WeakPolarHBondContact O-CB 3.18Å; A37-S41 PolarHBondContact O-N 3.17Å
38	H	82.6	Confident	81	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-41.4	171	-76.5	-72.5	0	0	0	112.6	W14 R17 S18 I21 A34 Y35 R36 L40 S41 I42 Y63	W14-H38 AromaticContact CD1-CE1 3.7Å; W14-H38 AromaticContact CD1-ND1 3.36Å; W14-H38 AromaticContact CE2-CE1 3.94Å; W14-H38 AromaticContact CE2-ND1 3.8Å; W14-H38 AromaticContact CG-CE1 3.87Å; W14-H38 AromaticContact CG-ND1 3.98Å; W14-H38 AromaticContact NE1-CE1 3.74Å; W14-H38 AromaticContact NE1-ND1 3.22Å; W14-H38 PolarHBondContact NE1-ND1 3.16Å; W14-H38 PolarHBondContact O-CE1 2.96Å; R17-H38 WeakPolarHBondContact CB-NE2 3.05Å; S18-H38 PolarHBondContact N-NE2 2.92Å; S18-H38 PolarHBondContact OG-CE1 3.42Å; I21-H38 VanDerWaalsContact CD1-CD2 3.41Å; I21-H38 WeakPolarHBondContact CD1-CD2 3.45Å; A34-H38 PolarHBondContact O-CD2 2.88Å; A34-H38 PolarHBondContact O-N 3.01Å; Y35-H38 PolarHBondContact O-N 2.89Å; R36-H38 VanDerWaalsContact C-N 3.35Å; R36-H38 PolarHBondContact O-N 3.47Å; H38-L40 PolarHBondContact O-N 2.95Å; H38-S41 WeakPolarHBondContact O-CB 3.42Å; H38-S41 PolarHBondContact O-N 3.47Å; H38-I42 WeakPolarHBondContact O-CD1 3.2Å; H38-I42 VanDerWaalsContact O-CG1 3.27Å; H38-I42 WeakPolarHBondContact O-CG1 3.49Å; H38-I42 PolarHBondContact O-N 3.38Å; H38-Y63 HydrophobicContact CB-CD1 4.41Å; H38-Y63 HydrophobicContact CB-CE1 4.47Å
39	I	85.9	Confident	81.5	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.138	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-47.6	176	-72.2	165.4	0	0	0	110.9	Y35 R36 S41 I42 Q43 L60	Y35-I39 WeakPolarHBondContact O-CG1 3.37Å; Y35-I39 PolarHBondContact O-N 3.37Å; R36-I39 PolarHBondContact O-N 3.34Å; I39-S41 PolarHBondContact O-N 3Å; I39-I42 PolarHBondContact O-N 3.33Å; I39-Q43 WeakPolarHBondContact O-CG 3.45Å; I39-Q43 PolarHBondContact O-N 3.27Å; I39-L60 HydrophobicContact CG2-CD2 3.87Å
40	L	83.6	Confident	81.6	Confident	112 Å²	112	62 Å²	62	59%	0.586	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-40.4	175.7	-69.3	168.9	0	0	0	112.1	R36 H38 I42 Q43 Y44	R36-L40 WeakPolarHBondContact O-CG 3.43Å; R36-L40 PolarHBondContact O-N 2.9Å; H38-L40 PolarHBondContact O-N 2.95Å; L40-I42 PolarHBondContact O-N 3.44Å; L40-Q43 PolarHBondContact O-N 3.09Å; L40-Y44 WeakPolarHBondContact O-CB 3.24Å; L40-Y44 PolarHBondContact O-N 3.27Å
41	S	83.4	Confident	81.7	Confident	14 Å²	14	59.6 Å²	59.6	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-40.2	174.1	168.8	0	0	0	0	112.7	H10 A37 H38 I39 Y44 A45	H10-S41 PolarHBondContact CE1-OG 2.97Å; A37-S41 WeakPolarHBondContact O-CB 3.18Å; A37-S41 PolarHBondContact O-N 3.17Å; H38-S41 WeakPolarHBondContact O-CB 3.42Å; H38-S41 PolarHBondContact O-N 3.47Å; I39-S41 PolarHBondContact O-N 3Å; S41-Y44 PolarHBondContact O-N 3.21Å; S41-A45 WeakPolarHBondContact O-CB 3.26Å; S41-A45 PolarHBondContact O-N 3.49Å
42	I	83.9	Confident	82	Confident	6 Å²	6	61 Å²	61	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-68.6	-41.4	178	-65.8	155	0	0	0	110.6	H38 I39 L40 Y44 A45 W46 L51 L59 L60 Y63	H38-I42 WeakPolarHBondContact O-CD1 3.2Å; H38-I42 VanDerWaalsContact O-CG1 3.27Å; H38-I42 WeakPolarHBondContact O-CG1 3.49Å; H38-I42 PolarHBondContact O-N 3.38Å; I39-I42 PolarHBondContact O-N 3.33Å; L40-I42 PolarHBondContact O-N 3.44Å; I42-Y44 PolarHBondContact O-N 2.71Å; I42-A45 PolarHBondContact O-N 2.85Å; I42-W46 WeakPolarHBondContact O-CB 3.33Å; I42-W46 PolarHBondContact O-N 2.9Å; I42-L51 HydrophobicContact CG2-CD2 4.17Å; I42-L59 HydrophobicContact CD1-CB 3.82Å; I42-L59 HydrophobicContact CG1-CB 4.33Å; I42-L59 HydrophobicContact CG2-CB 4.27Å; I42-L60 HydrophobicContact CG2-CD1 4.22Å; I42-L60 HydrophobicContact CG2-CG 3.88Å; I42-Y63 HydrophobicContact CD1-CD2 3.5Å; I42-Y63 HydrophobicContact CD1-CE2 4.03Å; I42-Y63 HydrophobicContact CD1-CG 4.32Å
43	Q	83.6	Confident	82	Confident	87 Å²	87	64.7 Å²	64.7	41%	0.407	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-43.1	174.6	-70.5	172.4	-7.3	0	0	111.6	I39 L40 W46 A47 L60	I39-Q43 WeakPolarHBondContact O-CG 3.45Å; I39-Q43 PolarHBondContact O-N 3.27Å; L40-Q43 PolarHBondContact O-N 3.09Å; Q43-W46 PolarHBondContact O-N 2.74Å; Q43-A47 WeakPolarHBondContact O-CB 3.37Å; Q43-A47 PolarHBondContact O-N 2.89Å; Q43-L60 HydrophobicContact CG-CD1 4.45Å; Q43-L60 HydrophobicContact CG-CD2 4.11Å
44	Y	83.4	Confident	82.1	Confident	148 Å²	148	64.2 Å²	64.2	58%	0.58	35%	0.353	S	S	*	.	H	α-helix	trans	-66.4	-40.8	175.5	-177.7	-99.1	0	0	0	112.9	L40 S41 I42 W46 A47 S48	L40-Y44 WeakPolarHBondContact O-CB 3.24Å; L40-Y44 PolarHBondContact O-N 3.27Å; S41-Y44 PolarHBondContact O-N 3.21Å; I42-Y44 PolarHBondContact O-N 2.71Å; Y44-W46 VanDerWaalsContact C-N 3.32Å; Y44-W46 PolarHBondContact O-N 3.41Å; Y44-A47 PolarHBondContact O-N 3.24Å; Y44-S48 WeakPolarHBondContact O-CB 3.26Å; Y44-S48 PolarHBondContact O-N 3.09Å; Y44-S48 PolarHBondContact O-OG 3.26Å
45	A	79.2	Confident	82.1	Confident	19 Å²	19	65.1 Å²	65.1	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-33.7	176.1	0	0	0	0	0	112.6	S41 I42 S48 Q50 L51	S41-A45 WeakPolarHBondContact O-CB 3.26Å; S41-A45 PolarHBondContact O-N 3.49Å; I42-A45 PolarHBondContact O-N 2.85Å; A45-S48 PolarHBondContact O-OG 3.08Å; A45-Q50 WeakPolarHBondContact O-CB 3.42Å; A45-Q50 PolarHBondContact O-N 3.36Å; A45-L51 HydrophobicContact CB-CB 4.35Å; A45-L51 PolarHBondContact O-N 2.91Å
46	W	80.3	Confident	81.9	Confident	130 Å²	130	64 Å²	64	49%	0.492	36%	0.359	S	S	.	.	H	α-helix	trans	-71.4	-48.4	172.5	178.4	54.4	0	0	0	112	I42 Q43 Y44 S48 S49 A56	I42-W46 WeakPolarHBondContact O-CB 3.33Å; I42-W46 PolarHBondContact O-N 2.9Å; Q43-W46 PolarHBondContact O-N 2.74Å; Y44-W46 VanDerWaalsContact C-N 3.32Å; Y44-W46 PolarHBondContact O-N 3.41Å; W46-S48 PolarHBondContact O-N 3.17Å; W46-S49 PolarHBondContact O-N 2.69Å; W46-A56 HydrophobicContact CB-CB 3.88Å; W46-A56 HydrophobicContact CG-CB 3.79Å
47	A	81.8	Confident	81.9	Confident	81 Å²	81	60.3 Å²	60.3	67%	0.669	36%	0.355	S	S	*	.	H	α-helix	trans	-63.1	-28	178.9	0	0	0	0	0	113.5	Q43 Y44 S49	Q43-A47 WeakPolarHBondContact O-CB 3.37Å; Q43-A47 PolarHBondContact O-N 2.89Å; Y44-A47 PolarHBondContact O-N 3.24Å; A47-S49 VanDerWaalsContact C-N 3.32Å
48	S	83.8	Confident	82.1	Confident	46 Å²	46	60.8 Å²	60.8	32%	0.322	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	12.3	173.2	58.1	0	0	0	0	114	Y44 A45 W46 Q50	Y44-S48 WeakPolarHBondContact O-CB 3.26Å; Y44-S48 PolarHBondContact O-N 3.09Å; Y44-S48 PolarHBondContact O-OG 3.26Å; A45-S48 PolarHBondContact O-OG 3.08Å; W46-S48 PolarHBondContact O-N 3.17Å; S48-Q50 PolarHBondContact O-N 3.39Å; S48-Q50 VanDerWaalsContact O-N 3.11Å; S48-Q50 PolarHBondContact OG-NE2 3.22Å
49	S	81.2	Confident	82.2	Confident	111 Å²	111	64.3 Å²	64.3	78%	0.776	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	20.4	179	-61.2	0	0	0	0	115.4	W46 A47 L51	W46-S49 PolarHBondContact O-N 2.69Å; A47-S49 VanDerWaalsContact C-N 3.32Å; S49-L51 VanDerWaalsContact C-N 3.32Å
50	Q	75.8	Confident	82.2	Confident	82 Å²	82	65 Å²	65	38%	0.383	39%	0.385	S	S	.	.	S	Bend	trans	-80.2	-18.3	175.7	-58	-176.8	32.8	0	0	112.1	A45 S48	A45-Q50 WeakPolarHBondContact O-CB 3.42Å; A45-Q50 PolarHBondContact O-N 3.36Å; S48-Q50 PolarHBondContact O-N 3.39Å; S48-Q50 VanDerWaalsContact O-N 3.11Å; S48-Q50 PolarHBondContact OG-NE2 3.22Å
51	L	79.7	Confident	82.4	Confident	58 Å²	58	66.7 Å²	66.7	30%	0.304	38%	0.383	S	S	.	.	S	Bend	trans	-126.2	138.4	-177.3	-144.6	78.7	0	0	0	111.3	I42 A45 S49 A56 L59	I42-L51 HydrophobicContact CG2-CD2 4.17Å; A45-L51 HydrophobicContact CB-CB 4.35Å; A45-L51 PolarHBondContact O-N 2.91Å; S49-L51 VanDerWaalsContact C-N 3.32Å; L51-A56 HydrophobicContact CD2-CB 4.03Å; L51-L59 HydrophobicContact CD2-CD1 4.09Å
52	S	84.8	Confident	82.5	Confident	81 Å²	81	68.7 Å²	68.7	57%	0.566	40%	0.395	S	S	*	.			trans	-71.7	150	177.3	67.4	0	0	0	0	111.8	A54 G55 A56	S52-A54 VanDerWaalsContact C-N 3.29Å; S52-A54 PolarHBondContact O-N 3.46Å; S52-G55 PolarHBondContact O-N 2.93Å; S52-G55 PolarHBondContact OG-N 3.26Å; S52-A56 PolarHBondContact O-N 3.26Å
53	Q	79.1	Confident	82.5	Confident	81 Å²	81	70 Å²	70	38%	0.379	40%	0.4	S	S	.	.	H	α-helix	trans	-51.7	-45.2	-179.1	-174.3	-175.7	0.8	0	0	112.5	A56 A57 E143	Q53-A56 PolarHBondContact O-N 2.64Å; Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 2.98Å; Q53-E143 PolarHBondContact NE2-OE1 3.34Å
54	A	82.3	Confident	82.6	Confident	82 Å²	82	68.6 Å²	68.6	68%	0.678	40%	0.399	S	S	*	.	H	α-helix	trans	-68	-37.6	178.1	0	0	0	0	0	113	S52 G58	S52-A54 VanDerWaalsContact C-N 3.29Å; S52-A54 PolarHBondContact O-N 3.46Å; A54-G58 PolarHBondContact O-N 3.4Å
55	G	80.1	Confident	82.7	Confident	28 Å²	28	66.6 Å²	66.6	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-68	-39.5	174.8	0	0	0	0	0	112.4	S52 G58 L59	S52-G55 PolarHBondContact O-N 2.93Å; S52-G55 PolarHBondContact OG-N 3.26Å; G55-G58 PolarHBondContact O-N 3.46Å; G55-L59 WeakPolarHBondContact O-CG 3.47Å; G55-L59 PolarHBondContact O-N 3.06Å
56	A	81.5	Confident	82.9	Confident	3 Å²	3	71.7 Å²	71.7	3%	0.025	41%	0.411	C	S	.	.	H	α-helix	trans	-61.8	-51.5	174.5	0	0	0	0	0	111.2	W46 L51 S52 Q53 G58 L59 L60	W46-A56 HydrophobicContact CB-CB 3.88Å; W46-A56 HydrophobicContact CG-CB 3.79Å; L51-A56 HydrophobicContact CD2-CB 4.03Å; S52-A56 PolarHBondContact O-N 3.26Å; Q53-A56 PolarHBondContact O-N 2.64Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-G58 PolarHBondContact O-N 2.69Å; A56-L59 PolarHBondContact O-N 3.46Å; A56-L60 VanDerWaalsContact O-CB 3.24Å; A56-L60 WeakPolarHBondContact O-CB 3.47Å; A56-L60 PolarHBondContact O-N 3.15Å
57	A	83	Confident	83	Confident	48 Å²	48	68.2 Å²	68.2	40%	0.397	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-41.4	178.2	0	0	0	0	0	112.6	Q53 R61	Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 2.98Å; A57-R61 WeakPolarHBondContact O-CB 3.43Å; A57-R61 PolarHBondContact O-N 2.85Å
58	G	85.8	Confident	82.9	Confident	32 Å²	32	66.2 Å²	66.2	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-51.1	176.2	0	0	0	0	0	113	A54 G55 A56 R61 T62	A54-G58 PolarHBondContact O-N 3.4Å; G55-G58 PolarHBondContact O-N 3.46Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-G58 PolarHBondContact O-N 2.69Å; G58-R61 PolarHBondContact O-N 3.36Å; G58-T62 PolarHBondContact O-N 3.4Å; G58-T62 VanDerWaalsContact O-N 3.15Å; G58-T62 PolarHBondContact O-OG1 3.4Å
59	L	84.7	Confident	82.7	Confident	74 Å²	74	67 Å²	67	39%	0.387	39%	0.391	S	S	.	.	H	α-helix	trans	-67.2	-41.4	179	-66.7	-178.8	0	0	0	112.1	I42 L51 G55 A56 R61 T62 Y63	I42-L59 HydrophobicContact CD1-CB 3.82Å; I42-L59 HydrophobicContact CG1-CB 4.33Å; I42-L59 HydrophobicContact CG2-CB 4.27Å; L51-L59 HydrophobicContact CD2-CD1 4.09Å; G55-L59 WeakPolarHBondContact O-CG 3.47Å; G55-L59 PolarHBondContact O-N 3.06Å; A56-L59 PolarHBondContact O-N 3.46Å; L59-R61 VanDerWaalsContact C-N 3.34Å; L59-R61 PolarHBondContact O-N 3.21Å; L59-T62 PolarHBondContact O-N 3.28Å; L59-Y63 HydrophobicContact CB-CD2 4.44Å; L59-Y63 HydrophobicContact CD2-CE2 4.44Å; L59-Y63 VanDerWaalsContact O-CD2 3.28Å; L59-Y63 WeakPolarHBondContact O-CD2 3.15Å; L59-Y63 PolarHBondContact O-N 3.47Å
60	L	86.1	Confident	82.6	Confident	43 Å²	43	62.6 Å²	62.6	23%	0.225	36%	0.359	C	S	.	.	H	α-helix	trans	-56	-48.3	175.7	-90.6	157.3	0	0	0	111.2	I39 I42 Q43 A56 Y63 S64	I39-L60 HydrophobicContact CG2-CD2 3.87Å; I42-L60 HydrophobicContact CG2-CD1 4.22Å; I42-L60 HydrophobicContact CG2-CG 3.88Å; Q43-L60 HydrophobicContact CG-CD1 4.45Å; Q43-L60 HydrophobicContact CG-CD2 4.11Å; A56-L60 VanDerWaalsContact O-CB 3.24Å; A56-L60 WeakPolarHBondContact O-CB 3.47Å; A56-L60 PolarHBondContact O-N 3.15Å; L60-Y63 PolarHBondContact O-N 2.98Å; L60-S64 WeakPolarHBondContact O-CB 3.29Å; L60-S64 PolarHBondContact O-N 2.88Å; L60-S64 PolarHBondContact O-OG 3.11Å
61	R	86.4	Confident	82.5	Confident	146 Å²	146	60.6 Å²	60.6	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-56.2	-57	176.3	178.5	176.6	-65.4	130.9	-1.2	111.5	A57 G58 L59 Y63 S64 E65	A57-R61 WeakPolarHBondContact O-CB 3.43Å; A57-R61 PolarHBondContact O-N 2.85Å; G58-R61 PolarHBondContact O-N 3.36Å; L59-R61 VanDerWaalsContact C-N 3.34Å; L59-R61 PolarHBondContact O-N 3.21Å; R61-Y63 VanDerWaalsContact C-N 3.31Å; R61-Y63 PolarHBondContact O-N 2.86Å; R61-S64 WeakPolarHBondContact CA-OG 3.27Å; R61-S64 PolarHBondContact O-N 2.95Å; R61-S64 VanDerWaalsContact O-N 3.13Å; R61-S64 PolarHBondContact O-OG 2.77Å; R61-E65 WeakPolarHBondContact CD-OE1 3.47Å; R61-E65 VanDerWaalsContact CG-CD 3.49Å; R61-E65 HydrophobicContact CG-CG 4.34Å; R61-E65 WeakPolarHBondContact CG-OE1 3.33Å; R61-E65 WeakPolarHBondContact O-CB 3.25Å; R61-E65 VanDerWaalsContact O-CG 3.27Å; R61-E65 WeakPolarHBondContact O-CG 3.38Å; R61-E65 PolarHBondContact O-N 2.95Å
62	T	86	Confident	81.9	Confident	56 Å²	56	63.8 Å²	63.8	34%	0.344	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-36.3	-177	-59.5	0	0	0	0	113.4	G58 L59 E65 R66	G58-T62 PolarHBondContact O-N 3.4Å; G58-T62 VanDerWaalsContact O-N 3.15Å; G58-T62 PolarHBondContact O-OG1 3.4Å; L59-T62 PolarHBondContact O-N 3.28Å; T62-E65 WeakPolarHBondContact CA-OE2 3.28Å; T62-R66 VanDerWaalsContact O-CG 3.25Å; T62-R66 WeakPolarHBondContact O-CG 3.37Å; T62-R66 PolarHBondContact O-N 2.98Å
63	Y	84.7	Confident	81.1	Confident	35 Å²	35	61.4 Å²	61.4	14%	0.137	35%	0.352	C	S	.	.	H	α-helix	trans	-79.6	-30	176.1	-76.2	-70.1	0	0	0	113.1	Y35 H38 I42 L59 L60 R61 Y67	Y35-Y63 AromaticContact CD1-CD1 3.73Å; Y35-Y63 HydrophobicContact CD1-CD1 3.73Å; Y35-Y63 HydrophobicContact CD1-CE1 4.19Å; Y35-Y63 HydrophobicContact CE1-CD1 4.02Å; Y35-Y63 HydrophobicContact CE1-CE1 4.22Å; H38-Y63 HydrophobicContact CB-CD1 4.41Å; H38-Y63 HydrophobicContact CB-CE1 4.47Å; I42-Y63 HydrophobicContact CD1-CD2 3.5Å; I42-Y63 HydrophobicContact CD1-CE2 4.03Å; I42-Y63 HydrophobicContact CD1-CG 4.32Å; L59-Y63 HydrophobicContact CB-CD2 4.44Å; L59-Y63 HydrophobicContact CD2-CE2 4.44Å; L59-Y63 VanDerWaalsContact O-CD2 3.28Å; L59-Y63 WeakPolarHBondContact O-CD2 3.15Å; L59-Y63 PolarHBondContact O-N 3.47Å; L60-Y63 PolarHBondContact O-N 2.98Å; R61-Y63 VanDerWaalsContact C-N 3.31Å; R61-Y63 PolarHBondContact O-N 2.86Å; Y63-Y67 VanDerWaalsContact O-CB 3.28Å; Y63-Y67 WeakPolarHBondContact O-CB 3.32Å; Y63-Y67 PolarHBondContact O-N 2.76Å
64	S	85.1	Confident	80.2	Confident	56 Å²	56	65.5 Å²	65.5	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-38.8	171.8	62.2	0	0	0	0	112.6	L60 R61 Y67 A68	L60-S64 WeakPolarHBondContact O-CB 3.29Å; L60-S64 PolarHBondContact O-N 2.88Å; L60-S64 PolarHBondContact O-OG 3.11Å; R61-S64 WeakPolarHBondContact CA-OG 3.27Å; R61-S64 PolarHBondContact O-N 2.95Å; R61-S64 VanDerWaalsContact O-N 3.13Å; R61-S64 PolarHBondContact O-OG 2.77Å; S64-Y67 PolarHBondContact O-N 3.03Å; S64-A68 WeakPolarHBondContact O-CB 2.91Å; S64-A68 PolarHBondContact O-N 3.16Å
65	E	85.5	Confident	79.1	Confident	107 Å²	107	64.9 Å²	64.9	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.6	-71.8	161.2	168.3	0	0	110.8	R61 T62 Y67 A68 A69	R61-E65 WeakPolarHBondContact CD-OE1 3.47Å; R61-E65 VanDerWaalsContact CG-CD 3.49Å; R61-E65 HydrophobicContact CG-CG 4.34Å; R61-E65 WeakPolarHBondContact CG-OE1 3.33Å; R61-E65 WeakPolarHBondContact O-CB 3.25Å; R61-E65 VanDerWaalsContact O-CG 3.27Å; R61-E65 WeakPolarHBondContact O-CG 3.38Å; R61-E65 PolarHBondContact O-N 2.95Å; T62-E65 WeakPolarHBondContact CA-OE2 3.28Å; E65-Y67 VanDerWaalsContact C-N 3.34Å; E65-Y67 PolarHBondContact O-N 3.07Å; E65-A68 PolarHBondContact O-N 3Å; E65-A69 WeakPolarHBondContact O-CB 3.45Å; E65-A69 PolarHBondContact O-N 3.14Å
66	R	83.2	Confident	78	Confident	126 Å²	126	68.7 Å²	68.7	48%	0.475	38%	0.381	S	S	.	.	H	α-helix	trans	-68.1	-30.6	176	-71.5	174.9	-177.5	-150.6	0.4	113.6	Y35 T62	Y35-R66 HydrophobicContact CD1-CB 4.46Å; Y35-R66 HydrophobicContact CD2-CB 4.49Å; Y35-R66 HydrophobicContact CE1-CB 3.94Å; Y35-R66 HydrophobicContact CE2-CB 3.99Å; T62-R66 VanDerWaalsContact O-CG 3.25Å; T62-R66 WeakPolarHBondContact O-CG 3.37Å; T62-R66 PolarHBondContact O-N 2.98Å
67	Y	83.1	Confident	76.8	Confident	56 Å²	56	76 Å²	76	22%	0.22	41%	0.414	C	S	.	.	H	α-helix	trans	-70.7	-46.9	173.9	175.3	-110.2	0	0	0	111.4	A32 R36 Y63 S64 E65 A69 V70 L71	A32-Y67 HydrophobicContact CB-CD2 4.37Å; A32-Y67 HydrophobicContact CB-CE2 4.02Å; A32-Y67 WeakPolarHBondContact O-CD2 3.14Å; R36-Y67 WeakPolarHBondContact CD-OH 3.43Å; R36-Y67 HydrophobicContact CG-CD2 3.88Å; R36-Y67 HydrophobicContact CG-CE1 4.49Å; R36-Y67 HydrophobicContact CG-CE2 3.32Å; Y63-Y67 VanDerWaalsContact O-CB 3.28Å; Y63-Y67 WeakPolarHBondContact O-CB 3.32Å; Y63-Y67 PolarHBondContact O-N 2.76Å; S64-Y67 PolarHBondContact O-N 3.03Å; E65-Y67 VanDerWaalsContact C-N 3.34Å; E65-Y67 PolarHBondContact O-N 3.07Å; Y67-A69 VanDerWaalsContact C-N 3.32Å; Y67-A69 PolarHBondContact O-N 3.47Å; Y67-V70 PolarHBondContact O-N 3.48Å; Y67-V70 VanDerWaalsContact O-N 3.08Å; Y67-L71 HydrophobicContact CD1-CD1 4.18Å; Y67-L71 HydrophobicContact CE1-CD1 3.52Å; Y67-L71 HydrophobicContact CE1-CG 4.26Å; Y67-L71 HydrophobicContact CE2-CD1 4.42Å; Y67-L71 HydrophobicContact CE2-CD2 4.43Å; Y67-L71 HydrophobicContact CE2-CG 4.39Å; Y67-L71 PolarHBondContact O-N 3.29Å
68	A	80.2	Confident	75.7	Confident	40 Å²	40	77 Å²	77	33%	0.331	42%	0.416	S	S	.	.	H	α-helix	trans	-58.7	-43.1	174.8	0	0	0	0	0	111.7	S64 E65 V70 L71 D72	S64-A68 WeakPolarHBondContact O-CB 2.91Å; S64-A68 PolarHBondContact O-N 3.16Å; E65-A68 PolarHBondContact O-N 3Å; A68-V70 PolarHBondContact O-N 3.49Å; A68-L71 PolarHBondContact O-N 2.96Å; A68-D72 PolarHBondContact O-N 3.22Å
69	A	79.3	Confident	74.6	Confident	63 Å²	63	76.1 Å²	76.1	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-11.3	176.1	0	0	0	0	0	115.3	E65 Y67	E65-A69 WeakPolarHBondContact O-CB 3.45Å; E65-A69 PolarHBondContact O-N 3.14Å; Y67-A69 VanDerWaalsContact C-N 3.32Å; Y67-A69 PolarHBondContact O-N 3.47Å
70	V	77.9	Confident	73.7	Confident	18 Å²	18	74.8 Å²	74.8	11%	0.109	40%	0.4	C	S	.	.	H	α-helix	trans	-98	-26.4	169.9	176.4	0	0	0	0	111.7	P28 A32 Y35 Y67 A68 G79 L80	P28-V70 HydrophobicContact CB-CG1 4.36Å; P28-V70 WeakPolarHBondContact O-CG1 3.41Å; A32-V70 HydrophobicContact CB-CG1 4.04Å; Y35-V70 HydrophobicContact CD2-CG2 4.36Å; Y35-V70 HydrophobicContact CE2-CG2 3.98Å; Y67-V70 PolarHBondContact O-N 3.48Å; Y67-V70 VanDerWaalsContact O-N 3.08Å; A68-V70 PolarHBondContact O-N 3.49Å; V70-G79 CarbonylContact O-C 3.58Å; V70-G79 WeakPolarHBondContact O-CA 3.44Å; V70-L80 PolarHBondContact O-N 3.42Å
71	L	73.3	Confident	72.6	Confident	40 Å²	40	75.4 Å²	75.4	21%	0.209	40%	0.403	C	S	.	.	H	α-helix	trans	-77.7	-40.9	175.8	-67.5	-175.8	0	0	0	113	Y67 A68 L80 N81	Y67-L71 HydrophobicContact CD1-CD1 4.18Å; Y67-L71 HydrophobicContact CE1-CD1 3.52Å; Y67-L71 HydrophobicContact CE1-CG 4.26Å; Y67-L71 HydrophobicContact CE2-CD1 4.42Å; Y67-L71 HydrophobicContact CE2-CD2 4.43Å; Y67-L71 HydrophobicContact CE2-CG 4.39Å; Y67-L71 PolarHBondContact O-N 3.29Å; A68-L71 PolarHBondContact O-N 2.96Å; L71-L80 HydrophobicContact CD2-CB 3.97Å; L71-L80 HydrophobicContact CD2-CD2 4Å; L71-N81 WeakPolarHBondContact O-CA 3.37Å; L71-N81 PolarHBondContact O-N 3.28Å; L71-N81 PolarHBondContact O-OD1 3.1Å; L71-N81 VanDerWaalsContact O-OD1 3.13Å
72	D	67.4	Low	71.2	Confident	125 Å²	125	74.2 Å²	74.2	67%	0.668	41%	0.408	S	S	*	.	S	Bend	trans	-115	46.2	-168.3	-55.5	-48.2	0	0	0	111.2	A68	A68-D72 PolarHBondContact O-N 3.22Å
73	S	68.3	Low	69.4	Low	31 Å²	31	81.7 Å²	81.7	22%	0.217	43%	0.431	C	S	.	.			trans	-98	125.4	-175.6	-158.5	0	0	0	0	111.8	D75 N81	S73-D75 PolarHBondContact O-N 3.28Å; S73-N81 PolarHBondContact N-OD1 3.08Å; S73-N81 VanDerWaalsContact O-CG 3.3Å; S73-N81 PolarHBondContact O-ND2 3.01Å; S73-N81 PolarHBondContact O-OD1 3.14Å
74	D	59.4	Low	67.4	Low	166 Å²	166	82.1 Å²	82.1	89%	0.888	44%	0.442	S	S	*	.	S	Bend	trans	-61.5	-16.7	-177.1	-65.6	-57	0	0	0	114.7
75	D	60.3	Low	65.5	Low	69 Å²	69	85.7 Å²	85.7	37%	0.369	45%	0.453	S	S	.	.			trans	-93.7	116.2	177.9	167.4	26.2	0	0	0	112.3	S73 Q77 T78 G79	S73-D75 PolarHBondContact O-N 3.28Å; D75-Q77 PolarHBondContact O-N 2.94Å; D75-Q77 VanDerWaalsContact O-N 3.09Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.43Å; D75-Q77 PolarHBondContact OD1-N 3.36Å; D75-T78 WeakPolarHBondContact CB-OG1 3.45Å; D75-T78 PolarHBondContact O-N 3.13Å; D75-T78 PolarHBondContact O-OG1 3.4Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.38Å; D75-T78 PolarHBondContact OD2-OG1 3.13Å; D75-G79 PolarHBondContact O-N 3.27Å
76	P	56.5	Low	63.4	Low	108 Å²	108	84.8 Å²	84.8	70%	0.701	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	0.3	-179.6	31.7	-37.5	0	0	0	114.8
77	Q	56.4	Low	61.4	Low	157 Å²	157	81.7 Å²	81.7	73%	0.734	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-16.6	166	-66.3	-64.4	-78.7	0	0	113.2	D75	D75-Q77 PolarHBondContact O-N 2.94Å; D75-Q77 VanDerWaalsContact O-N 3.09Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.43Å; D75-Q77 PolarHBondContact OD1-N 3.36Å
78	T	59.4	Low	59.5	Low	69 Å²	69	83.4 Å²	83.4	42%	0.423	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-19.7	-173.3	54	0	0	0	0	114.8	P28 D75	P28-T78 WeakPolarHBondContact CB-O 3.21Å; D75-T78 WeakPolarHBondContact CB-OG1 3.45Å; D75-T78 PolarHBondContact O-N 3.13Å; D75-T78 PolarHBondContact O-OG1 3.4Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.38Å; D75-T78 PolarHBondContact OD2-OG1 3.13Å
79	G	62.6	Low	57.8	Low	14 Å²	14	87.4 Å²	87.4	14%	0.144	48%	0.484	C	S	.	.			trans	-89.3	166.4	176.4	0	0	0	0	0	116.3	V70 D75	V70-G79 CarbonylContact O-C 3.58Å; V70-G79 WeakPolarHBondContact O-CA 3.44Å; D75-G79 PolarHBondContact O-N 3.27Å
80	L	66.1	Low	55.9	Low	45 Å²	45	91 Å²	91	24%	0.236	49%	0.493	C	S	.	.			trans	-108.2	13.7	174.7	-126.5	78.2	0	0	0	113.8	P28 E29 A32 V70 L71 N82	P28-L80 VanDerWaalsContact C-CD1 3.45Å; P28-L80 HydrophobicContact CB-CD1 3.52Å; E29-L80 HydrophobicContact CB-CD1 4.33Å; E29-L80 HydrophobicContact CG-CD1 3.8Å; A32-L80 HydrophobicContact CB-CD2 4.25Å; V70-L80 PolarHBondContact O-N 3.42Å; L71-L80 HydrophobicContact CD2-CB 3.97Å; L71-L80 HydrophobicContact CD2-CD2 4Å; L80-N82 PolarHBondContact O-N 2.92Å; L80-N82 PolarHBondContact O-ND2 3.34Å
81	N	64.3	Low	54.1	Low	56 Å²	56	93.1 Å²	93.1	30%	0.299	51%	0.513	S	S	.	.			trans	-38.5	80.7	-161.2	-54.4	3.4	0	0	0	116.1	L71 S73 Y83 A84	L71-N81 WeakPolarHBondContact O-CA 3.37Å; L71-N81 PolarHBondContact O-N 3.28Å; L71-N81 PolarHBondContact O-OD1 3.1Å; L71-N81 VanDerWaalsContact O-OD1 3.13Å; S73-N81 PolarHBondContact N-OD1 3.08Å; S73-N81 VanDerWaalsContact O-CG 3.3Å; S73-N81 PolarHBondContact O-ND2 3.01Å; S73-N81 PolarHBondContact O-OD1 3.14Å; N81-Y83 PolarHBondContact O-N 2.91Å; N81-A84 PolarHBondContact O-N 3.47Å
82	N	55.7	Low	52.6	Low	122 Å²	122	100 Å²	100	65%	0.652	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	4.6	-168	-91.1	-71.3	0	0	0	115.6	L80	L80-N82 PolarHBondContact O-N 2.92Å; L80-N82 PolarHBondContact O-ND2 3.34Å
83	Y	48.9	Very low	51.2	Low	213 Å²	213	98.3 Å²	98.3	84%	0.835	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-15	177.7	-78.6	-84.6	0	0	0	114.4	N81	N81-Y83 PolarHBondContact O-N 2.91Å
84	A	42.9	Very low	49.8	Very low	44 Å²	44	103.7 Å²	103.7	36%	0.364	56%	0.556	S	S	.	*	H	α-helix	trans	-81.5	-46.9	-174.1	0	0	0	0	0	113.3	N81 S86 A87 L88	N81-A84 PolarHBondContact O-N 3.47Å; A84-S86 PolarHBondContact O-N 3.44Å; A84-A87 PolarHBondContact O-N 3.3Å; A84-L88 HydrophobicContact CB-CD1 4.43Å; A84-L88 WeakPolarHBondContact O-CB 3.34Å; A84-L88 VanDerWaalsContact O-CG 3.31Å; A84-L88 WeakPolarHBondContact O-CG 3.44Å; A84-L88 PolarHBondContact O-N 2.81Å
85	E	45.1	Very low	48.8	Very low	130 Å²	130	106.9 Å²	106.9	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-58.3	-52.6	-175.3	-88.7	-103.3	110	0	0	112.2	A87 L88 H89	E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.34Å; E85-L88 CarbonylContact O-C 3.42Å; E85-L88 PolarHBondContact O-N 3.02Å; E85-L88 VanDerWaalsContact O-N 3.16Å; E85-H89 VanDerWaalsContact O-CB 3.3Å; E85-H89 WeakPolarHBondContact O-CB 3.38Å; E85-H89 PolarHBondContact O-N 3.43Å
86	S	41.9	Very low	47.8	Very low	88 Å²	88	109.6 Å²	109.6	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-59.5	-38.6	-177.6	-59.4	0	0	0	0	113.4	A84 L90	A84-S86 PolarHBondContact O-N 3.44Å; S86-L90 WeakPolarHBondContact O-CG 3.27Å; S86-L90 PolarHBondContact O-N 2.79Å
87	A	40.3	Very low	47.1	Very low	62 Å²	62	113 Å²	113	51%	0.512	58%	0.582	S	S	.	*	H	α-helix	trans	-70.9	-42.6	176.2	0	0	0	0	0	111.9	A84 E85 A91	A84-A87 PolarHBondContact O-N 3.3Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.34Å; A87-A91 PolarHBondContact O-N 2.85Å
88	L	43	Very low	46.4	Very low	92 Å²	92	108 Å²	108	48%	0.482	56%	0.564	S	S	.	*	H	α-helix	trans	-72.8	-26.1	178.5	-69.1	171.3	0	0	0	113	A84 E85 A91 R92	A84-L88 HydrophobicContact CB-CD1 4.43Å; A84-L88 WeakPolarHBondContact O-CB 3.34Å; A84-L88 VanDerWaalsContact O-CG 3.31Å; A84-L88 WeakPolarHBondContact O-CG 3.44Å; A84-L88 PolarHBondContact O-N 2.81Å; E85-L88 CarbonylContact O-C 3.42Å; E85-L88 PolarHBondContact O-N 3.02Å; E85-L88 VanDerWaalsContact O-N 3.16Å; L88-A91 PolarHBondContact O-N 2.81Å; L88-R92 VanDerWaalsContact O-CB 3.31Å; L88-R92 WeakPolarHBondContact O-CB 3.47Å; L88-R92 VanDerWaalsContact O-CG 3.24Å; L88-R92 WeakPolarHBondContact O-CG 3.41Å; L88-R92 PolarHBondContact O-N 2.92Å
89	H	43.9	Very low	45.7	Very low	123 Å²	123	113 Å²	113	57%	0.569	59%	0.588	S	S	*	*	H	α-helix	trans	-72.2	-39.8	176	-149.1	108.9	0	0	0	111.4	E85 A91 R92 S93	E85-H89 VanDerWaalsContact O-CB 3.3Å; E85-H89 WeakPolarHBondContact O-CB 3.38Å; E85-H89 PolarHBondContact O-N 3.43Å; H89-A91 VanDerWaalsContact C-N 3.35Å; H89-R92 PolarHBondContact O-N 2.7Å; H89-S93 PolarHBondContact O-N 3.38Å; H89-S93 PolarHBondContact O-OG 3.22Å; H89-S93 VanDerWaalsContact O-OG 3.09Å
90	L	40.6	Very low	44.8	Very low	138 Å²	138	121.4 Å²	121.4	72%	0.723	62%	0.62	S	S	*	*	H	α-helix	trans	-59.7	-44.2	169	-75.3	166.7	0	0	0	111.3	S86	S86-L90 WeakPolarHBondContact O-CG 3.27Å; S86-L90 PolarHBondContact O-N 2.79Å
91	A	40.7	Very low	43.5	Very low	63 Å²	63	128.1 Å²	128.1	52%	0.521	64%	0.643	S	S	.	*	H	α-helix	trans	-66.1	-41.7	176.5	0	0	0	0	0	113.3	A87 L88 H89 S93 Q94	A87-A91 PolarHBondContact O-N 2.85Å; L88-A91 PolarHBondContact O-N 2.81Å; H89-A91 VanDerWaalsContact C-N 3.35Å; A91-S93 PolarHBondContact O-N 2.86Å; A91-Q94 PolarHBondContact O-N 3.27Å
92	R	40.8	Very low	42.7	Very low	184 Å²	184	134 Å²	134	69%	0.694	67%	0.669	S	S	*	*	H	α-helix	trans	-66	-15.5	-179	-80.8	173.4	174.6	173.1	0.9	114.4	L88 H89 Q94	L88-R92 VanDerWaalsContact O-CB 3.31Å; L88-R92 WeakPolarHBondContact O-CB 3.47Å; L88-R92 VanDerWaalsContact O-CG 3.24Å; L88-R92 WeakPolarHBondContact O-CG 3.41Å; L88-R92 PolarHBondContact O-N 2.92Å; H89-R92 PolarHBondContact O-N 2.7Å; R92-Q94 VanDerWaalsContact C-N 3.3Å
93	S	39	Very low	42.2	Very low	91 Å²	91	131.7 Å²	131.7	64%	0.636	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-10.8	177.5	-60.6	0	0	0	0	113.5	H89 A91	H89-S93 PolarHBondContact O-N 3.38Å; H89-S93 PolarHBondContact O-OG 3.22Å; H89-S93 VanDerWaalsContact O-OG 3.09Å; A91-S93 PolarHBondContact O-N 2.86Å
94	Q	38.8	Very low	42.2	Very low	143 Å²	143	126.1 Å²	126.1	67%	0.668	65%	0.652	S	S	*	*			trans	-104	101.1	173.4	-71.5	-71.3	-13	0	0	110.6	A91 R92 N96	A91-Q94 PolarHBondContact O-N 3.27Å; R92-Q94 VanDerWaalsContact C-N 3.3Å; Q94-N96 PolarHBondContact O-N 2.8Å; Q94-N96 VanDerWaalsContact O-N 3.14Å
95	R	38.2	Very low	42.6	Very low	234 Å²	234	129.7 Å²	129.7	88%	0.883	66%	0.664	S	S	*	*			trans	-74.6	97.1	162.2	-84	-173.5	173.2	178.9	-1.9	108.7	L97	R95-L97 PolarHBondContact O-N 2.92Å
96	N	38	Very low	43.5	Very low	125 Å²	125	127.5 Å²	127.5	67%	0.668	66%	0.66	S	S	*	*			trans	-58.5	102.6	173.7	-76.1	-9.8	0	0	0	111	Q94 S98	Q94-N96 PolarHBondContact O-N 2.8Å; Q94-N96 VanDerWaalsContact O-N 3.14Å; N96-S98 PolarHBondContact O-N 3.22Å
97	L	42.1	Very low	44.1	Very low	181 Å²	181	126.9 Å²	126.9	95%	0.948	66%	0.66	S	S	*	*			trans	-86.6	59	163.6	-75.4	171.8	0	0	0	109.8	R95	R95-L97 PolarHBondContact O-N 2.92Å
98	S	41.5	Very low	45	Very low	52 Å²	52	129.6 Å²	129.6	36%	0.364	67%	0.666	S	S	.	*			trans	-162.6	108.9	169.2	-176.1	0	0	0	0	111.1	N96 K100	N96-S98 PolarHBondContact O-N 3.22Å; S98-K100 PolarHBondContact O-N 3.28Å; S98-K100 PolarHBondContact OG-N 2.7Å
99	D	45.5	Very low	45.9	Very low	174 Å²	174	127 Å²	127	93%	0.93	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	20.3	168.1	-52.6	-56.4	0	0	0	112.3
100	K	44.2	Very low	46.8	Very low	189 Å²	189	124 Å²	124	82%	0.822	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	33.1	-172.4	-62.7	-169.5	176.6	-173.1	0	113	S98	S98-K100 PolarHBondContact O-N 3.28Å; S98-K100 PolarHBondContact OG-N 2.7Å
101	W	39.1	Very low	47.8	Very low	186 Å²	186	121.7 Å²	121.7	71%	0.705	63%	0.634	S	S	*	*			trans	-102.1	87.5	176.5	-147.8	87.2	0	0	0	111.6
102	E	46.2	Very low	48.9	Very low	181 Å²	181	125.5 Å²	125.5	85%	0.846	64%	0.641	S	S	*	*			trans	-82	140	166.5	-65.4	-179	172.3	0	0	109.6
103	S	46.2	Very low	50.6	Low	72 Å²	72	119.9 Å²	119.9	50%	0.503	62%	0.624	S	S	.	*			trans	-72.9	134.5	-176.7	67.4	0	0	0	0	111.6	L105	S103-L105 PolarHBondContact O-N 3.02Å
104	P	48.1	Very low	51.6	Low	97 Å²	97	119.1 Å²	119.1	63%	0.63	62%	0.616	S	S	*	*	S	Bend	trans	-74.5	14.3	179.8	32.4	-37.5	0	0	0	114.4	S109	P104-S109 PolarHBondContact O-OG 3.34Å
105	L	50.9	Low	52.6	Low	119 Å²	119	115.6 Å²	115.6	62%	0.623	61%	0.607	S	S	*	*			trans	-117.9	59.7	-176.4	-67.2	175.7	0	0	0	111.4	S103 S109 V110	S103-L105 PolarHBondContact O-N 3.02Å; L105-S109 WeakPolarHBondContact CA-OG 3.35Å; L105-V110 HydrophobicContact CD2-CG2 4.39Å
106	T	63.9	Low	54.3	Low	84 Å²	84	105.9 Å²	105.9	52%	0.515	57%	0.574	S	S	.	*			trans	-68.8	155.1	165.6	54.5	0	0	0	0	110.6	D108 S109 V110	T106-D108 VanDerWaalsContact C-N 3.26Å; T106-D108 PolarHBondContact O-N 2.82Å; T106-S109 PolarHBondContact N-OG 3.38Å; T106-S109 VanDerWaalsContact N-OG 3.16Å; T106-S109 WeakPolarHBondContact O-CB 3.33Å; T106-S109 PolarHBondContact O-N 3.06Å; T106-S109 PolarHBondContact O-OG 3.22Å; T106-V110 PolarHBondContact O-N 3.18Å
107	A	56	Low	55.9	Low	75 Å²	75	103.9 Å²	103.9	62%	0.62	56%	0.561	S	S	*	*	H	α-helix	trans	-54	-42.1	-177.6	0	0	0	0	0	112.8	S109 V110 L111	A107-S109 VanDerWaalsContact C-N 3.33Å; A107-S109 PolarHBondContact O-N 2.85Å; A107-V110 PolarHBondContact O-N 3.45Å; A107-L111 WeakPolarHBondContact O-CG 3.27Å; A107-L111 PolarHBondContact O-N 2.67Å; A107-L111 VanDerWaalsContact O-N 3.15Å
108	D	59.3	Low	57.1	Low	119 Å²	119	103 Å²	103	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-62.7	-36.6	176.8	-55.7	-70.5	0	0	0	112.9	T106 V110 L111 Q112	T106-D108 VanDerWaalsContact C-N 3.26Å; T106-D108 PolarHBondContact O-N 2.82Å; D108-V110 VanDerWaalsContact C-N 3.32Å; D108-V110 PolarHBondContact O-N 2.95Å; D108-L111 PolarHBondContact O-N 3.03Å; D108-Q112 WeakPolarHBondContact O-CG 3.36Å; D108-Q112 PolarHBondContact O-N 3.32Å
109	S	60.5	Low	58.5	Low	38 Å²	38	107 Å²	107	27%	0.266	56%	0.559	S	S	.	*	H	α-helix	trans	-66.4	-33.8	176.7	75.4	0	0	0	0	112.4	P104 L105 T106 A107 Q112	P104-S109 PolarHBondContact O-OG 3.34Å; L105-S109 WeakPolarHBondContact CA-OG 3.35Å; T106-S109 PolarHBondContact N-OG 3.38Å; T106-S109 VanDerWaalsContact N-OG 3.16Å; T106-S109 WeakPolarHBondContact O-CB 3.33Å; T106-S109 PolarHBondContact O-N 3.06Å; T106-S109 PolarHBondContact O-OG 3.22Å; A107-S109 VanDerWaalsContact C-N 3.33Å; A107-S109 PolarHBondContact O-N 2.85Å; S109-Q112 PolarHBondContact O-N 2.92Å
110	V	63.4	Low	59.8	Low	58 Å²	58	102.1 Å²	102.1	35%	0.352	53%	0.533	S	S	.	.	H	α-helix	trans	-71.8	-36.5	177.4	179.3	0	0	0	0	110.9	L105 T106 A107 D108 Q112 I113 V116	L105-V110 HydrophobicContact CD2-CG2 4.39Å; T106-V110 PolarHBondContact O-N 3.18Å; A107-V110 PolarHBondContact O-N 3.45Å; D108-V110 VanDerWaalsContact C-N 3.32Å; D108-V110 PolarHBondContact O-N 2.95Å; V110-Q112 PolarHBondContact O-N 3.24Å; V110-I113 HydrophobicContact CG1-CD1 4.36Å; V110-I113 WeakPolarHBondContact O-CB 3.23Å; V110-I113 WeakPolarHBondContact O-CG1 3.46Å; V110-I113 PolarHBondContact O-N 3.01Å; V110-V116 HydrophobicContact CG1-CG2 4.44Å
111	L	62.6	Low	60.9	Low	91 Å²	91	99.3 Å²	99.3	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-69.7	-17.3	174.8	-66.9	170.7	0	0	0	113.7	A107 D108 I113 Q117 I120	A107-L111 WeakPolarHBondContact O-CG 3.27Å; A107-L111 PolarHBondContact O-N 2.67Å; A107-L111 VanDerWaalsContact O-N 3.15Å; D108-L111 PolarHBondContact O-N 3.03Å; L111-I113 VanDerWaalsContact C-N 3.35Å; L111-Q117 VanDerWaalsContact O-CG 3.26Å; L111-Q117 WeakPolarHBondContact O-CG 3.36Å; L111-Q117 PolarHBondContact O-NE2 3.18Å; L111-I120 HydrophobicContact CD2-CD1 3.91Å
112	Q	62.8	Low	62.1	Low	143 Å²	143	94 Å²	94	67%	0.668	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.9	173.6	-62.4	-99.3	-11.9	0	0	112.9	D108 S109 V110	D108-Q112 WeakPolarHBondContact O-CG 3.36Å; D108-Q112 PolarHBondContact O-N 3.32Å; S109-Q112 PolarHBondContact O-N 2.92Å; V110-Q112 PolarHBondContact O-N 3.24Å
113	I	76	Confident	62.4	Low	66 Å²	66	89.3 Å²	89.3	34%	0.338	51%	0.505	S	S	.	.			trans	-71.4	127.3	-173.9	-58.2	176.6	0	0	0	110.5	V110 L111 S115 V116 Q117	V110-I113 HydrophobicContact CG1-CD1 4.36Å; V110-I113 WeakPolarHBondContact O-CB 3.23Å; V110-I113 WeakPolarHBondContact O-CG1 3.46Å; V110-I113 PolarHBondContact O-N 3.01Å; L111-I113 VanDerWaalsContact C-N 3.35Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 WeakPolarHBondContact CG2-OG 3.49Å; I113-S115 PolarHBondContact O-N 3.2Å; I113-S115 VanDerWaalsContact O-N 3.1Å; I113-V116 HydrophobicContact CB-CB 4.27Å; I113-V116 HydrophobicContact CB-CG2 3.97Å; I113-V116 HydrophobicContact CG2-CG2 4.37Å; I113-V116 WeakPolarHBondContact O-CA 3.31Å; I113-V116 WeakPolarHBondContact O-CB 3.37Å; I113-V116 PolarHBondContact O-N 2.94Å; I113-Q117 PolarHBondContact O-N 2.93Å
114	P	59.9	Low	62.8	Low	74 Å²	74	90 Å²	90	48%	0.481	51%	0.511	S	S	.	.	H	α-helix	trans	-60.8	-24.6	-174.5	-28.7	36.2	0	0	0	116.3	R118	P114-R118 VanDerWaalsContact O-CG 3.28Å; P114-R118 WeakPolarHBondContact O-CG 3.25Å; P114-R118 PolarHBondContact O-N 3.47Å; P114-R118 PolarHBondContact O-NE 3.49Å
115	S	59.8	Low	62.8	Low	69 Å²	69	88.4 Å²	88.4	48%	0.483	51%	0.511	S	S	.	.	H	α-helix	trans	-73.4	-41.5	171.6	47.5	0	0	0	0	112	I113 R118 M119	I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 WeakPolarHBondContact CG2-OG 3.49Å; I113-S115 PolarHBondContact O-N 3.2Å; I113-S115 VanDerWaalsContact O-N 3.1Å; S115-R118 PolarHBondContact O-N 3.38Å; S115-M119 WeakPolarHBondContact O-CB 3.39Å; S115-M119 PolarHBondContact O-N 3.34Å
116	V	73.4	Confident	62.5	Low	31 Å²	31	93.8 Å²	93.8	19%	0.188	52%	0.523	C	S	.	.	H	α-helix	trans	-65	-44	176.4	179.6	0	0	0	0	110.2	V110 I113 R118 M119 I120	V110-V116 HydrophobicContact CG1-CG2 4.44Å; I113-V116 HydrophobicContact CB-CB 4.27Å; I113-V116 HydrophobicContact CB-CG2 3.97Å; I113-V116 HydrophobicContact CG2-CG2 4.37Å; I113-V116 WeakPolarHBondContact O-CA 3.31Å; I113-V116 WeakPolarHBondContact O-CB 3.37Å; I113-V116 PolarHBondContact O-N 2.94Å; V116-R118 PolarHBondContact O-N 3.34Å; V116-M119 WeakPolarHBondContact O-CB 3.32Å; V116-M119 PolarHBondContact O-N 2.88Å; V116-M119 VanDerWaalsContact O-N 3.15Å; V116-I120 HydrophobicContact CG1-CD1 3.93Å; V116-I120 WeakPolarHBondContact O-CG1 3.49Å; V116-I120 PolarHBondContact O-N 3.48Å
117	Q	71.5	Confident	61.1	Low	82 Å²	82	98.3 Å²	98.3	38%	0.383	54%	0.539	S	S	.	.	H	α-helix	trans	-61.5	-42	175.4	-69.4	-171.8	-11.3	0	0	113	L111 I113 M119 I120 Q121	L111-Q117 VanDerWaalsContact O-CG 3.26Å; L111-Q117 WeakPolarHBondContact O-CG 3.36Å; L111-Q117 PolarHBondContact O-NE2 3.18Å; I113-Q117 PolarHBondContact O-N 2.93Å; Q117-M119 VanDerWaalsContact C-N 3.32Å; Q117-M119 PolarHBondContact O-N 3.39Å; Q117-I120 PolarHBondContact O-N 3.5Å; Q117-Q121 WeakPolarHBondContact O-CB 3.44Å; Q117-Q121 VanDerWaalsContact O-CG 3.28Å; Q117-Q121 WeakPolarHBondContact O-CG 3.47Å; Q117-Q121 PolarHBondContact O-N 2.99Å
118	R	68.7	Low	60	Low	164 Å²	164	99.9 Å²	99.9	62%	0.619	55%	0.545	S	S	*	.	H	α-helix	trans	-64	-36.5	173.8	-74.1	178.2	-136.7	125	1.3	112.5	P114 S115 V116 Q121 A122	P114-R118 VanDerWaalsContact O-CG 3.28Å; P114-R118 WeakPolarHBondContact O-CG 3.25Å; P114-R118 PolarHBondContact O-N 3.47Å; P114-R118 PolarHBondContact O-NE 3.49Å; S115-R118 PolarHBondContact O-N 3.38Å; V116-R118 PolarHBondContact O-N 3.34Å; R118-Q121 PolarHBondContact O-N 2.92Å; R118-A122 WeakPolarHBondContact O-CB 3.29Å; R118-A122 PolarHBondContact O-N 3.39Å
119	M	70.4	Confident	58.7	Low	135 Å²	135	104.5 Å²	104.5	67%	0.665	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-40.3	176.6	-167.2	171.9	70.3	0	0	111.7	S115 V116 Q117 A122 S123	S115-M119 WeakPolarHBondContact O-CB 3.39Å; S115-M119 PolarHBondContact O-N 3.34Å; V116-M119 WeakPolarHBondContact O-CB 3.32Å; V116-M119 PolarHBondContact O-N 2.88Å; V116-M119 VanDerWaalsContact O-N 3.15Å; Q117-M119 VanDerWaalsContact C-N 3.32Å; Q117-M119 PolarHBondContact O-N 3.39Å; M119-A122 PolarHBondContact O-N 3Å; M119-S123 PolarHBondContact O-N 3.02Å; M119-S123 VanDerWaalsContact O-N 3.13Å
120	I	73.8	Confident	57.4	Low	72 Å²	72	114.1 Å²	114.1	37%	0.369	59%	0.59	S	S	.	*	H	α-helix	trans	-63.4	-49.6	172.5	-67.6	166.6	0	0	0	110.2	L111 V116 Q117 A122 S123 S124	L111-I120 HydrophobicContact CD2-CD1 3.91Å; V116-I120 HydrophobicContact CG1-CD1 3.93Å; V116-I120 WeakPolarHBondContact O-CG1 3.49Å; V116-I120 PolarHBondContact O-N 3.48Å; Q117-I120 PolarHBondContact O-N 3.5Å; I120-A122 VanDerWaalsContact C-N 3.29Å; I120-A122 PolarHBondContact O-N 3.43Å; I120-S123 WeakPolarHBondContact O-CA 3.46Å; I120-S123 WeakPolarHBondContact O-CB 3.46Å; I120-S123 PolarHBondContact O-N 2.78Å; I120-S123 PolarHBondContact O-OG 2.98Å; I120-S124 PolarHBondContact O-N 3.14Å; I120-S124 PolarHBondContact O-OG 3.02Å
121	Q	65.4	Low	55.9	Low	130 Å²	130	118.3 Å²	118.3	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-58.8	-37.2	176.9	-73	169.8	-5	0	0	112.8	Q117 R118 S123 S124 G125	Q117-Q121 WeakPolarHBondContact O-CB 3.44Å; Q117-Q121 VanDerWaalsContact O-CG 3.28Å; Q117-Q121 WeakPolarHBondContact O-CG 3.47Å; Q117-Q121 PolarHBondContact O-N 2.99Å; R118-Q121 PolarHBondContact O-N 2.92Å; Q121-S123 VanDerWaalsContact C-N 3.3Å; Q121-S123 PolarHBondContact O-N 3.04Å; Q121-S124 PolarHBondContact O-N 3.19Å; Q121-G125 PolarHBondContact O-N 3.15Å
122	A	64.3	Low	54.3	Low	75 Å²	75	118 Å²	118	62%	0.62	63%	0.626	S	S	*	*	H	α-helix	trans	-65.7	-30.8	173.3	0	0	0	0	0	112.9	R118 M119 I120	R118-A122 WeakPolarHBondContact O-CB 3.29Å; R118-A122 PolarHBondContact O-N 3.39Å; M119-A122 PolarHBondContact O-N 3Å; I120-A122 VanDerWaalsContact C-N 3.29Å; I120-A122 PolarHBondContact O-N 3.43Å
123	S	52.9	Low	53	Low	81 Å²	81	117.8 Å²	117.8	57%	0.566	64%	0.637	S	S	*	*	H	α-helix	trans	-75.9	-37.8	172.4	75	0	0	0	0	112.9	M119 I120 Q121 G125 R126	M119-S123 PolarHBondContact O-N 3.02Å; M119-S123 VanDerWaalsContact O-N 3.13Å; I120-S123 WeakPolarHBondContact O-CA 3.46Å; I120-S123 WeakPolarHBondContact O-CB 3.46Å; I120-S123 PolarHBondContact O-N 2.78Å; I120-S123 PolarHBondContact O-OG 2.98Å; Q121-S123 VanDerWaalsContact C-N 3.3Å; Q121-S123 PolarHBondContact O-N 3.04Å; S123-G125 PolarHBondContact O-N 3.03Å; S123-G125 VanDerWaalsContact O-N 3.12Å; S123-R126 PolarHBondContact O-N 3.28Å
124	S	54.9	Low	51	Low	88 Å²	88	118 Å²	118	62%	0.615	65%	0.649	S	S	*	*	H	α-helix	trans	-63.1	-16.6	177.2	-54.6	0	0	0	0	114.1	I120 Q121 R126	I120-S124 PolarHBondContact O-N 3.14Å; I120-S124 PolarHBondContact O-OG 3.02Å; Q121-S124 PolarHBondContact O-N 3.19Å; S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 3.36Å
125	G	47.8	Very low	49.8	Very low	62 Å²	62	122.1 Å²	122.1	64%	0.639	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	4	176.2	0	0	0	0	0	115.9	Q121 S123	Q121-G125 PolarHBondContact O-N 3.15Å; S123-G125 PolarHBondContact O-N 3.03Å; S123-G125 VanDerWaalsContact O-N 3.12Å
126	R	44.4	Very low	48.6	Very low	232 Å²	232	124.7 Å²	124.7	88%	0.875	68%	0.679	S	S	*	*			trans	-138.3	50.3	-174.5	-80.5	-169.2	167.8	-174.4	-3.1	115.7	S123 S124 S128	S123-R126 PolarHBondContact O-N 3.28Å; S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 3.36Å; R126-S128 PolarHBondContact O-N 2.81Å
127	E	35.8	Very low	46.5	Very low	180 Å²	180	130.8 Å²	130.8	84%	0.841	71%	0.711	S	S	*	*			trans	-84.7	102.3	155.2	-78.7	-151.1	113.7	0	0	111
128	S	33.4	Very low	44.4	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	73%	0.727	S	S	*	*			trans	166.6	63.2	141.1	45.7	0	0	0	0	114.7	R126	R126-S128 PolarHBondContact O-N 2.81Å
129	F	31.4	Very low	42.7	Very low	217 Å²	217	131.2 Å²	131.2	95%	0.952	73%	0.733	S	S	*	*			trans	-148.9	111.6	140.4	-100.3	-70.1	0	0	0	109.4
130	R	32.3	Very low	40.6	Very low	239 Å²	239	132.1 Å²	132.1	90%	0.902	75%	0.746	S	S	*	*			trans	-90	135.7	176.4	-72.4	-178.8	174.3	-176.8	-2.1	110.2
131	V	31.9	Very low	38.5	Very low	147 Å²	147	132 Å²	132	89%	0.891	76%	0.763	S	S	*	*			trans	-127.9	141.6	149.4	-177.7	0	0	0	0	106.6
132	A	29.5	Very low	36.7	Very low	85 Å²	85	133.7 Å²	133.7	70%	0.702	77%	0.77	S	S	*	*			trans	-82.9	154.5	-174.6	0	0	0	0	0	111.9	A134	A132-A134 PolarHBondContact O-N 2.81Å
133	P	36.1	Very low	34.9	Very low	137 Å²	137	136.3 Å²	136.3	89%	0.89	77%	0.769	S	S	*	*			trans	-81	109.1	-176.2	31.6	-33.6	0	0	0	112.2
134	A	33.1	Very low	33.6	Very low	72 Å²	72	137.5 Å²	137.5	60%	0.595	78%	0.778	S	S	*	*			trans	-146.6	143.5	154.8	0	0	0	0	0	108.4	A132	A132-A134 PolarHBondContact O-N 2.81Å
135	D	35.5	Very low	32.2	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	79%	0.787	S	S	*	*			trans	51.4	71.1	158.4	-47.6	-20.4	0	0	0	117
136	V	33.8	Very low	31.1	Very low	123 Å²	123	144.3 Å²	144.3	75%	0.745	80%	0.796	S	S	*	*			trans	-119.1	51.3	159.3	-165.4	0	0	0	0	110.2	I138	V136-I138 HydrophobicContact CG1-CD1 3.81Å; V136-I138 HydrophobicContact CG1-CG1 3.97Å; V136-I138 PolarHBondContact O-N 2.7Å
137	D	28.8	Very low	30.2	Very low	159 Å²	159	141 Å²	141	85%	0.85	80%	0.795	S	S	*	*			trans	-74.7	109.2	154.9	-92.7	-49	0	0	0	108.2
138	I	29.2	Very low	30.1	Very low	140 Å²	140	138.4 Å²	138.4	72%	0.718	79%	0.794	S	S	*	*			trans	-116.2	94.1	172.3	-60.3	-179.4	0	0	0	108.2	V136	V136-I138 HydrophobicContact CG1-CD1 3.81Å; V136-I138 HydrophobicContact CG1-CG1 3.97Å; V136-I138 PolarHBondContact O-N 2.7Å
139	P	31.6	Very low	29.6	Very low	116 Å²	116	136.2 Å²	136.2	75%	0.753	79%	0.788	S	S	*	*			trans	-75.4	138.2	-179.4	29.9	-34.3	0	0	0	111.6	G141	P139-G141 PolarHBondContact O-N 3.4Å
140	V	27.2	Very low	29.3	Very low	154 Å²	154	131.8 Å²	131.8	93%	0.933	78%	0.784	S	S	*	*			trans	-81.6	97.3	175.5	179.2	0	0	0	0	110.4
141	G	29.6	Very low	29	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	78%	0.778	S	S	*	*			trans	99.9	126.9	151.9	0	0	0	0	0	117.8	P139	P139-G141 PolarHBondContact O-N 3.4Å
142	H	27	Very low	28.7	Very low	164 Å²	164	126.8 Å²	126.8	76%	0.759	78%	0.778	S	S	*	*			trans	-147.7	147.6	148.1	-157	-80	0	0	0	111.1
143	E	26.8	Very low	28.4	Very low	130 Å²	130	128.1 Å²	128.1	61%	0.607	78%	0.776	S	S	*	*			trans	-75.7	155.3	175.3	-54.8	168	82.9	0	0	112.4	Q53	Q53-E143 PolarHBondContact NE2-OE1 3.34Å
144	S	26.5	Very low	27.8	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	77%	0.771	S	S	*	*				-179.8	128.8	116.5	-82	0	0	0	0	115.9
145	R	25.1	Very low	27.2	Very low	214 Å²	214	135.2 Å²	135.2	81%	0.808	78%	0.783	S	S	*	*			trans	22.6	133	137.7	-57.6	176.3	176.9	-174.5	-1.1	120.7
146	G	24.6	Very low	26.6	Very low	80 Å²	80	134.1 Å²	134.1	83%	0.825	78%	0.782	S	S	*	*			trans	148.4	99.3	138.7	0	0	0	0	0	117.7
147	D	24.6	Very low	26.1	Very low	161 Å²	161	132.1 Å²	132.1	86%	0.861	78%	0.779	S	S	*	*			trans	-66.3	162.9	152.8	-102	-50.1	0	0	0	110.5
148	P	34.3	Very low	25.9	Very low	127 Å²	127	129.9 Å²	129.9	83%	0.825	78%	0.775	S	S	*	*			cis	-141.3	171.4	26.6	41.8	-24	0	0	0	117.9
149	G	23.4	Very low	25.6	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	79%	0.785	S	S	*	*			trans	131.7	105.1	136.4	0	0	0	0	0	120.6
150	S	24.1	Very low	25.3	Very low	125 Å²	125	131.1 Å²	131.1	87%	0.874	78%	0.783	S	S	*	*			trans	47.9	99.2	137	60.9	0	0	0	0	122.7
151	A	26.9	Very low	25.9	Very low	94 Å²	94	129.3 Å²	129.3	78%	0.777	77%	0.774	S	S	*	*			trans	-165.2	128.1	135.4	0	0	0	0	0	107.7
152	Q	24.4	Very low	25.5	Very low	187 Å²	187	131.1 Å²	131.1	87%	0.874	78%	0.775	S	S	*	*				59.3	137.4	71.3	-76.5	-163.7	-7.6	0	0	115.7
153	V	23.2	Very low	25.4	Very low	112 Å²	112	128.4 Å²	128.4	68%	0.679	78%	0.775	S	S	*	*			cis	-168.2	158.1	-25.4	98.4	0	0	0	0	110.6
154	Q	23.3	Very low	25.3	Very low	164 Å²	164	127.5 Å²	127.5	77%	0.766	78%	0.783	S	S	*	*			trans	53.4	127.2	160	-72.3	168.5	-38.5	0	0	124.2
155	F	22.1	Very low	25.2	Very low	194 Å²	194	131.2 Å²	131.2	85%	0.851	79%	0.789	S	S	*	*				11.9	127.6	125.5	-70.4	-94.1	0	0	0	121
156	T	22.8	Very low	25.3	Very low	136 Å²	136	127.1 Å²	127.1	83%	0.834	79%	0.787	S	S	*	*				-177.2	138.5	109.7	25.7	0	0	0	0	107.2
157	A	22.7	Very low	25.4	Very low	82 Å²	82	130 Å²	130	68%	0.678	78%	0.783	S	S	*	*			cis	92.2	109.8	43.1	0	0	0	0	0	114.1
158	S	23.7	Very low	25.4	Very low	111 Å²	111	129.4 Å²	129.4	78%	0.776	78%	0.78	S	S	*	*			trans	62	119.1	155.9	-54.8	0	0	0	0	120.4
159	Q	23.2	Very low	25	Very low	199 Å²	199	130.2 Å²	130.2	93%	0.93	78%	0.782	S	S	*	*				-174.8	147.3	110.2	-100.8	169.9	43.5	0	0	115
160	A	25.2	Very low	25.2	Very low	84 Å²	84	132.2 Å²	132.2	69%	0.694	78%	0.783	S	S	*	*			trans	-128.1	176.6	151.6	0	0	0	0	0	105.5
161	P	40.1	Very low	25.3	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	78%	0.783	S	S	*	*			cis	-141.6	-140.2	14	43.7	-21.9	0	0	0	113.3
162	S	22.4	Very low	25.2	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	78%	0.781	S	S	*	*			trans	91	152.7	163.6	80.7	0	0	0	0	118.9
163	S	23.8	Very low	25.4	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	78%	0.775	S	S	*	*			cis	-175.9	128.5	-37.1	52.7	0	0	0	0	112.8
164	S	24	Very low	25.6	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	78%	0.775	S	S	*	*			trans	178	120.7	153.4	42.4	0	0	0	0	108.9
165	E	25.6	Very low	25.8	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.864	77%	0.769	S	S	*	*				88.7	138.4	74.4	-78.3	-161.4	134.4	0	0	116.2
166	V	27.5	Very low	26	Very low	128 Å²	128	136.9 Å²	136.9	78%	0.776	77%	0.767	S	S	*	*			trans	134.6	100.1	144.9	178.5	0	0	0	0	116.1
167	N	25.5	Very low	26	Very low	139 Å²	139	136.9 Å²	136.9	74%	0.743	76%	0.761	S	S	*	*			trans	34	109.6	141.4	-59	-32.7	0	0	0	124.3
168	N	24.7	Very low	26.1	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	77%	0.766	S	S	*	*				15.4	133.4	123.6	-65.2	-25.2	0	0	0	122.1
169	V	26.4	Very low	26.1	Very low	143 Å²	143	143 Å²	143	87%	0.867	76%	0.763	S	S	*	*			trans	-137.9	93.3	136.6	-175.5	0	0	0	0	112.7
170	T	28	Very low	26.2	Very low	102 Å²	102	137.6 Å²	137.6	63%	0.626	75%	0.747	S	S	*	*			trans	25.4	118.3	137.8	-30.7	0	0	0	0	123
171	R	25.9	Very low	26.2	Very low	233 Å²	233	141 Å²	141	88%	0.879	75%	0.753	S	S	*	*				170.8	121	115.5	-91.8	169	-177.2	170.5	1.6	109.2
172	N	25.7	Very low	25.4	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	75%	0.751	S	S	*	*				58.2	132.2	54.4	-68.2	-0.8	0	0	0	112.9
173	L	27.2	Very low	25.6	Very low	142 Å²	142	142 Å²	142	74%	0.743	76%	0.759	S	S	*	*			cis	-151.7	175.9	10.1	-146.3	65.1	0	0	0	107
174	T	28	Very low	25.6	Very low	113 Å²	113	141.9 Å²	141.9	69%	0.693	76%	0.758	S	S	*	*			cis	-157.9	178.4	24.5	-38.1	0	0	0	0	113.1
175	E	27.5	Very low	25.7	Very low	134 Å²	134	143 Å²	143	63%	0.626	76%	0.759	S	S	*	*			trans	-63.1	156.4	-179.6	-45.8	168.7	129.2	0	0	119.9
176	R	25.5	Very low	25.9	Very low	215 Å²	215	141.3 Å²	141.3	81%	0.811	76%	0.756	S	S	*	*				161.6	126.6	111.8	-92.6	171	-167.4	-155.5	-0.9	110.1
177	L	23.9	Very low	26.3	Very low	136 Å²	136	141.1 Å²	141.1	71%	0.712	76%	0.758	S	S	*	*			cis	58.8	125.8	47.2	-58.5	173.4	0	0	0	112.2
178	R	24.8	Very low	26.3	Very low	207 Å²	207	139.6 Å²	139.6	78%	0.781	76%	0.758	S	S	*	*			cis	-168.5	163.4	15.7	-139.3	178.6	-162.8	172.7	4	109.8
179	T	23.6	Very low	26.2	Very low	115 Å²	115	142.3 Å²	142.3	71%	0.706	76%	0.763	S	S	*	*			trans	29.3	150.7	142.4	49.9	0	0	0	0	122.2
180	S	25.5	Very low	26.3	Very low	86 Å²	86	141.1 Å²	141.1	60%	0.601	76%	0.756	S	S	*	*			cis	-176.6	-175.1	-5.9	44.4	0	0	0	0	109.5
181	D	24.9	Very low	26.4	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	77%	0.766	S	S	*	*			trans	74.9	134.7	158	-50.2	-50.8	0	0	0	119.2
182	G	23.6	Very low	26.5	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	76%	0.761	S	S	*	*			trans	-118.9	-163	176.2	0	0	0	0	0	111.8
183	I	25.8	Very low	26.8	Very low	177 Å²	177	138.4 Å²	138.4	91%	0.908	76%	0.763	S	S	*	*			trans	-162.9	159.4	162.1	-106.5	151.7	0	0	0	109.9
184	S	24.4	Very low	26.8	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	76%	0.757	S	S	*	*			trans	-92.3	167.3	-175.5	-177.1	0	0	0	0	113.1
185	V	26.4	Very low	26.7	Very low	133 Å²	133	136.4 Å²	136.4	81%	0.806	76%	0.764	S	S	*	*			trans	169.8	143.8	130	153.1	0	0	0	0	112.4
186	N	28.4	Very low	26.6	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	78%	0.776	S	S	*	*			trans	-101	156.4	172.6	-107.2	-15.5	0	0	0	109.6
187	P	36.9	Very low	27.4	Very low	124 Å²	124	135.9 Å²	135.9	81%	0.805	77%	0.77	S	S	*	*				-159.7	-171.8	77	43.2	-21.2	0	0	0	118
188	S	24.5	Very low	27.5	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	78%	0.779	S	S	*	*			trans	-67.8	156.4	-177.3	-26.9	0	0	0	0	117.3
189	F	24.4	Very low	27.6	Very low	206 Å²	206	134 Å²	134	90%	0.904	78%	0.778	S	S	*	*				-170.4	172.8	116.9	-125.2	-103.1	0	0	0	114
190	V	27.2	Very low	27.7	Very low	119 Å²	119	132.4 Å²	132.4	72%	0.721	78%	0.777	S	S	*	*			trans	-119.8	163.4	177.7	-152.4	0	0	0	0	109.8
191	P	30.9	Very low	27.7	Very low	128 Å²	128	138.4 Å²	138.4	83%	0.831	79%	0.793	S	S	*	*				-146.4	170.5	109.6	37.2	-21.4	0	0	0	116.3
192	Q	26.8	Very low	27.7	Very low	168 Å²	168	134.5 Å²	134.5	79%	0.785	79%	0.789	S	S	*	*			trans	-109.3	165.4	177.8	-148.3	-175.2	56.3	0	0	110.4
193	P	33.3	Very low	27.8	Very low	119 Å²	119	140.5 Å²	140.5	77%	0.773	80%	0.798	S	S	*	*				-143.2	167.1	94.3	33.7	-14.6	0	0	0	112.8
194	A	26	Very low	27.8	Very low	74 Å²	74	137.6 Å²	137.6	61%	0.612	79%	0.793	S	S	*	*			cis	79.5	140.5	31.8	0	0	0	0	0	113.4
195	V	27.4	Very low	27.9	Very low	139 Å²	139	137.5 Å²	137.5	84%	0.842	79%	0.792	S	S	*	*			cis	-146.4	162.4	22.5	-178.7	0	0	0	0	113
196	R	24.3	Very low	27.9	Very low	232 Å²	232	136.2 Å²	136.2	88%	0.875	79%	0.79	S	S	*	*			trans	-48.4	-171.2	159.7	-93.8	179.3	-178.2	174.9	0.3	116.8
197	P	41.6	Very low	27.7	Very low	105 Å²	105	135.2 Å²	135.2	68%	0.682	79%	0.793	S	S	*	*			cis	-137.5	-173.1	-29.6	36	-17.2	0	0	0	113.7
198	Q	27.4	Very low	27.2	Very low	193 Å²	193	132.4 Å²	132.4	90%	0.902	79%	0.787	S	S	*	*				-179.4	179.1	120.8	-99.2	-172.7	22.5	0	0	113.5
199	S	25.7	Very low	28.3	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	79%	0.788	S	S	*	*			trans	-156.1	163.6	-165.9	57.5	0	0	0	0	115.6
200	A	26.1	Very low	28.4	Very low	81 Å²	81	129 Å²	129	67%	0.669	79%	0.785	S	S	*	*			trans	90.8	161.2	160	0	0	0	0	0	120.2
201	F	26.5	Very low	28.4	Very low	213 Å²	213	127 Å²	127	93%	0.934	79%	0.789	S	S	*	*			trans	70.9	141.5	-177.9	-54.1	-81.2	0	0	0	116.6
202	G	23.9	Very low	28	Very low	72 Å²	72	125 Å²	125	74%	0.742	79%	0.791	S	S	*	*			cis	-161.2	176.9	-0.6	0	0	0	0	0	113.6
203	H	26.2	Very low	28.1	Very low	194 Å²	194	121.2 Å²	121.2	90%	0.898	79%	0.789	S	S	*	*			trans	-96	177.7	-178.6	-81.5	-92.8	0	0	0	113.2
204	S	25	Very low	27.8	Very low	116 Å²	116	124.4 Å²	124.4	81%	0.811	79%	0.794	S	S	*	*			trans	80.1	153	168	97.2	0	0	0	0	116.2
205	S	26.5	Very low	27.8	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	80%	0.795	S	S	*	*			cis	-158.6	154.5	-6.4	19.4	0	0	0	0	113.4
206	S	26.7	Very low	27.9	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	79%	0.787	S	S	*	*			trans	-28.9	154	164.2	54.9	0	0	0	0	120.7
207	C	24.5	Very low	28	Very low	129 Å²	129	123.3 Å²	123.3	87%	0.872	78%	0.783	S	S	*	*				-174.7	155.5	118.8	-107	0	0	0	0	115.2
208	G	25.7	Very low	27.2	Very low	66 Å²	66	122.8 Å²	122.8	68%	0.68	78%	0.782	S	S	*	*			trans	-113.2	-147.5	155.6	0	0	0	0	0	109.4
209	P	47.5	Very low	27.1	Very low	121 Å²	121	118.3 Å²	118.3	79%	0.786	77%	0.772	S	S	*	*			cis	-140.3	-149.6	-0.9	44	-23.9	0	0	0	113.6
210	S	27.7	Very low	26.9	Very low	120 Å²	120	122.7 Å²	122.7	84%	0.839	78%	0.778	S	S	*	*			trans	89.7	144.9	170.3	-35.1	0	0	0	0	116.2
211	G	25.9	Very low	26.9	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	79%	0.785	S	S	*	*			cis	-166.7	177.5	-2.3	0	0	0	0	0	111.7
212	G	24.1	Very low	27.1	Very low	84 Å²	84	123.5 Å²	123.5	87%	0.866	78%	0.778	S	S	*	*			trans	-95.5	-168.1	-177.3	0	0	0	0	0	115.4
213	A	27.7	Very low	27.1	Very low	90 Å²	90	125.1 Å²	125.1	74%	0.744	78%	0.778	S	S	*	*			cis	-167.5	178.9	2	0	0	0	0	0	112.1
214	Q	27.6	Very low	27	Very low	186 Å²	186	121.8 Å²	121.8	87%	0.869	78%	0.777	S	S	*	*			trans	71.4	146.6	149.9	-82.2	-176.5	20.9	0	0	120.4
215	T	26.5	Very low	27.1	Very low	103 Å²	103	123.7 Å²	123.7	63%	0.632	78%	0.778	S	S	*	*			cis	-162	168.5	-17.3	-28.3	0	0	0	0	113
216	H	28	Very low	27.7	Very low	149 Å²	149	123.4 Å²	123.4	69%	0.69	77%	0.773	S	S	*	*			trans	82	118.4	149.2	-78.4	-68.5	0	0	0	124.9
217	Q	26.4	Very low	27.7	Very low	170 Å²	170	123.7 Å²	123.7	79%	0.794	78%	0.776	S	S	*	*			trans	60.4	148.6	133.5	-70.9	176.2	-0.9	0	0	122.3
218	S	25.8	Very low	27.8	Very low	94 Å²	94	127 Å²	127	66%	0.657	78%	0.775	S	S	*	*			cis	-165.7	156.5	-14	51	0	0	0	0	114.4
219	S	24.2	Very low	27.9	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	79%	0.786	S	S	*	*			trans	58.5	119.2	146.7	61.4	0	0	0	0	122.8
220	F	23.3	Very low	27	Very low	204 Å²	204	137.4 Å²	137.4	90%	0.895	78%	0.783	S	S	*	*				-159.5	153	119.8	-106.5	-72.4	0	0	0	111.4
221	F	24.3	Very low	26.8	Very low	190 Å²	190	138.4 Å²	138.4	83%	0.833	78%	0.779	S	S	*	*			trans	-146.1	156.8	-179.9	-97.6	-64.5	0	0	0	107.5
222	P	30.9	Very low	26.8	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	78%	0.778	S	S	*	*				-131.5	156.7	53.6	21.4	3.1	0	0	0	114.3
223	S	23.6	Very low	27	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	78%	0.775	S	S	*	*				69	99.7	58.7	-166.4	0	0	0	0	116
224	S	24.8	Very low	26.7	Very low	123 Å²	123	150.2 Å²	150.2	86%	0.86	78%	0.777	S	S	*	*			trans	-158.5	151.8	142.6	61.9	0	0	0	0	111.7
225	N	27.3	Very low	27.1	Very low	157 Å²	157	147.1 Å²	147.1	84%	0.84	77%	0.774	S	S	*	*			trans	-163.6	176.2	-176	-140.3	-3.4	0	0	0	105.7
226	P	39.2	Very low	27.1	Very low	95 Å²	95	148.8 Å²	148.8	62%	0.617	78%	0.779	S	S	*	*			cis	-135.3	-169	-12.2	43.2	-25.2	0	0	0	114.4
227	S	27.2	Very low	27	Very low	114 Å²	114	152.1 Å²	152.1	80%	0.797	79%	0.785	S	S	*	*			trans	2.5	131.3	149	-49.9	0	0	0	0	120
228	K	27.2	Very low	27	Very low	199 Å²	199	149.3 Å²	149.3	87%	0.865	79%	0.785	S	S	*	*			trans	-117.4	100.6	167.7	-83.1	178.5	176.8	168.5	0	113.7
229	R	26.3	Very low	27.2	Very low	239 Å²	239	152 Å²	152	90%	0.902	80%	0.797	S	S	*	*			trans	-84.3	130.4	157.8	-171.4	-178.6	-171.2	179.7	4.2	107.4
230	K	28.8	Very low	27.3	Very low	165 Å²	165	150.6 Å²	150.6	72%	0.717	80%	0.797	S	S	*	*			trans	-113.9	112.8	-179.6	-87	-170	174.8	-175.7	0	112.2
231	N	24.2	Very low	27.5	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	79%	0.793	S	S	*	*			trans	-108.2	147	150	-69	5.6	0	0	0	107.5
232	F	25.6	Very low	27.6	Very low	180 Å²	180	144.1 Å²	144.1	79%	0.789	80%	0.795	S	S	*	*			trans	-125.5	113.4	161.7	-96	-106.6	0	0	0	106.5
233	Y	28.2	Very low	27.5	Very low	207 Å²	207	142 Å²	142	81%	0.812	79%	0.794	S	S	*	*				75.6	106.8	74.8	-112.9	-79.1	0	0	0	114.4
234	S	22.5	Very low	27.7	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	80%	0.796	S	S	*	*			trans	-97.1	136.3	155.3	-52.5	0	0	0	0	108.3
235	P	35.1	Very low	27.9	Very low	122 Å²	122	147.7 Å²	147.7	79%	0.792	80%	0.795	S	S	*	*			trans	-93.1	151.2	173.7	35.5	-32.3	0	0	0	112.1
236	D	25.9	Very low	27.9	Very low	138 Å²	138	143.8 Å²	143.8	74%	0.738	79%	0.793	S	S	*	*			trans	-144.6	146.7	155.8	-164.3	17.6	0	0	0	111.5
237	R	27.3	Very low	27.3	Very low	219 Å²	219	143 Å²	143	83%	0.826	80%	0.801	S	S	*	*			trans	21.1	128	166.2	-77.9	155.8	172.5	-159.6	-5.4	122.5
238	S	26.3	Very low	28.1	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	80%	0.802	S	S	*	*				-154.6	122.6	122.9	55	0	0	0	0	114.5
239	V	29	Very low	28.1	Very low	151 Å²	151	143.3 Å²	143.3	92%	0.915	80%	0.804	S	S	*	*			trans	46.7	129.5	144.1	-172.6	0	0	0	0	121.4
240	G	25.9	Very low	28.3	Very low	67 Å²	67	135.6 Å²	135.6	69%	0.691	79%	0.792	S	S	*	*			trans	169	54.7	160.1	0	0	0	0	0	124
241	V	27.6	Very low	28.3	Very low	134 Å²	134	134.7 Å²	134.7	81%	0.812	80%	0.8	S	S	*	*			trans	62.3	131.4	143.8	179.9	0	0	0	0	122.9
242	S	27.7	Very low	28.4	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	80%	0.796	S	S	*	*			trans	79.6	146.6	153.4	72.3	0	0	0	0	122.5
243	G	28	Very low	28.8	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	80%	0.795	S	S	*	*			trans	137.3	136.5	174.8	0	0	0	0	0	113.7
244	Q	28.3	Very low	28.8	Very low	169 Å²	169	132 Å²	132	79%	0.79	79%	0.794	S	S	*	*			trans	-137.3	155.5	-178.2	-75.4	-176.7	-34.5	0	0	113.5
245	H	29.1	Very low	29.1	Very low	181 Å²	181	131.5 Å²	131.5	84%	0.838	80%	0.797	S	S	*	*			trans	64	145.4	169.8	-53.5	-64.7	0	0	0	116.8
246	G	27.4	Very low	29	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	79%	0.793	S	S	*	*			cis	-161.7	172.4	-6	0	0	0	0	0	110.4
247	G	26.5	Very low	29.5	Very low	77 Å²	77	129.7 Å²	129.7	79%	0.794	79%	0.793	S	S	*	*			trans	-109.2	-151.4	176.7	0	0	0	0	0	112.4
248	P	43.1	Very low	30.4	Very low	125 Å²	125	127.2 Å²	127.2	81%	0.812	80%	0.796	S	S	*	*			cis	-137.7	158.4	-15	39.8	-24.5	0	0	0	114.7
249	E	27.4	Very low	31	Very low	196 Å²	196	130.3 Å²	130.3	92%	0.916	80%	0.796	S	S	*	*			trans	-161	148.4	154.4	-126.3	177.2	164.4	0	0	117.5
250	A	29.8	Very low	32.4	Very low	77 Å²	77	130.7 Å²	130.7	64%	0.636	78%	0.781	S	S	*	*			trans	42.9	100.3	151.2	0	0	0	0	0	123.9
251	T	28.5	Very low	34.2	Very low	146 Å²	146	130.7 Å²	130.7	90%	0.896	77%	0.767	S	S	*	*				77	134.6	119.7	-45.5	0	0	0	0	121.9
252	E	26.5	Very low	35.5	Very low	142 Å²	142	128.6 Å²	128.6	66%	0.664	76%	0.764	S	S	*	*			trans	-89.1	178.2	-179.6	-115.6	-158.4	161.9	0	0	112.8
253	P	35.7	Very low	36.9	Very low	120 Å²	120	132.1 Å²	132.1	78%	0.779	76%	0.758	S	S	*	*			cis	-133.4	162.4	30.4	40.4	-22.2	0	0	0	118.3
254	R	26.6	Very low	38.4	Very low	209 Å²	209	133.2 Å²	133.2	79%	0.789	74%	0.743	S	S	*	*			trans	-79.7	138.9	170.5	-74.3	165.3	149.4	162.8	-7.4	112.7
255	A	29.2	Very low	40.3	Very low	103 Å²	103	129.2 Å²	129.2	85%	0.851	73%	0.725	S	S	*	*			trans	-105.7	118.5	151.5	0	0	0	0	0	108.8
256	V	33.7	Very low	41.7	Very low	118 Å²	118	126.8 Å²	126.8	72%	0.715	71%	0.712	S	S	*	*			trans	-91.3	118.5	178.3	-178.9	0	0	0	0	109.2
257	S	35.2	Very low	43.6	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	70%	0.695	S	S	*	*			trans	-77.9	122.2	177.2	46	0	0	0	0	111.4	F259	S257-F259 PolarHBondContact O-N 3.26Å
258	N	45.9	Very low	45.7	Very low	166 Å²	166	126 Å²	126	89%	0.888	67%	0.672	S	S	*	*			trans	-76.4	60	175.1	-80	-48.6	0	0	0	111.8
259	F	39.7	Very low	46.4	Very low	176 Å²	176	124.3 Å²	124.3	77%	0.772	66%	0.657	S	S	*	*			trans	-87.8	114.6	174.4	-159.4	-91.7	0	0	0	110.4	S257	S257-F259 PolarHBondContact O-N 3.26Å
260	R	59.3	Low	48	Very low	159 Å²	159	119.1 Å²	119.1	60%	0.6	63%	0.632	S	S	*	*			trans	-107.9	137.2	170.2	-70.5	-176.7	175.6	-168.2	-2.8	109.6
261	T	63.6	Low	49.3	Very low	67 Å²	67	122 Å²	122	41%	0.411	63%	0.633	S	S	.	*			trans	-76.1	152	173	67.6	0	0	0	0	110.8	R263 E264 Q265	T261-R263 PolarHBondContact O-N 3.2Å; T261-E264 WeakPolarHBondContact CB-OE2 3.29Å; T261-E264 PolarHBondContact N-OE2 3.14Å; T261-E264 PolarHBondContact O-N 2.86Å; T261-E264 WeakPolarHBondContact OG1-CG 3.39Å; T261-E264 PolarHBondContact OG1-OE2 3.15Å; T261-Q265 PolarHBondContact O-N 2.9Å
262	A	53.9	Low	50.6	Low	90 Å²	90	122.4 Å²	122.4	74%	0.744	62%	0.622	S	S	*	*	H	α-helix	trans	-56.2	-27.7	179.6	0	0	0	0	0	113.3	F266	A262-F266 WeakPolarHBondContact O-CB 3.29Å; A262-F266 PolarHBondContact O-N 3.06Å; A262-F266 VanDerWaalsContact O-N 3.17Å
263	R	57.3	Low	51.5	Low	199 Å²	199	124 Å²	124	75%	0.751	63%	0.627	S	S	*	*	H	α-helix	trans	-68.2	-39.6	176	-174.6	177	-179.5	178.8	-0.1	112.7	T261 I267	T261-R263 PolarHBondContact O-N 3.2Å; R263-I267 HydrophobicContact CG-CD1 4.39Å; R263-I267 WeakPolarHBondContact O-CD1 3.41Å; R263-I267 WeakPolarHBondContact O-CG1 3.45Å; R263-I267 PolarHBondContact O-N 3.08Å
264	E	60.7	Low	51.9	Low	97 Å²	97	126 Å²	126	45%	0.453	63%	0.626	S	S	.	*	H	α-helix	trans	-71.1	-40.7	179.2	-67.6	161.9	114.4	0	0	111.1	T261 F266 I267 V268	T261-E264 WeakPolarHBondContact CB-OE2 3.29Å; T261-E264 PolarHBondContact N-OE2 3.14Å; T261-E264 PolarHBondContact O-N 2.86Å; T261-E264 WeakPolarHBondContact OG1-CG 3.39Å; T261-E264 PolarHBondContact OG1-OE2 3.15Å; E264-F266 PolarHBondContact O-N 2.65Å; E264-I267 PolarHBondContact O-N 3.41Å; E264-V268 PolarHBondContact O-N 2.96Å
265	Q	66.8	Low	52.5	Low	86 Å²	86	120.9 Å²	120.9	40%	0.402	62%	0.622	S	S	.	*	H	α-helix	trans	-61.3	-44.1	176.5	-158.6	74.9	-8.2	0	0	111.4	T261 I267 V268 D269	T261-Q265 PolarHBondContact O-N 2.9Å; Q265-I267 VanDerWaalsContact C-N 3.32Å; Q265-I267 PolarHBondContact O-N 2.72Å; Q265-V268 PolarHBondContact O-N 3.47Å; Q265-D269 PolarHBondContact O-N 3.35Å
266	F	58.4	Low	52.6	Low	130 Å²	130	121.9 Å²	121.9	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-60.5	-35.9	176	-176.5	-101.7	0	0	0	113.5	A262 E264 Q270	A262-F266 WeakPolarHBondContact O-CB 3.29Å; A262-F266 PolarHBondContact O-N 3.06Å; A262-F266 VanDerWaalsContact O-N 3.17Å; E264-F266 PolarHBondContact O-N 2.65Å; F266-Q270 HydrophobicContact CD1-CG 4.24Å; F266-Q270 HydrophobicContact CE1-CG 3.95Å; F266-Q270 HydrophobicContact CZ-CG 4.16Å; F266-Q270 WeakPolarHBondContact O-CB 3.05Å; F266-Q270 VanDerWaalsContact O-CG 3.25Å; F266-Q270 WeakPolarHBondContact O-CG 3.19Å; F266-Q270 PolarHBondContact O-N 2.94Å
267	I	68.4	Low	52.6	Low	83 Å²	83	124.7 Å²	124.7	43%	0.426	63%	0.626	S	S	.	*	H	α-helix	trans	-67.7	-39.7	176.9	-69.2	164	0	0	0	111.1	R263 E264 Q265 Q271	R263-I267 HydrophobicContact CG-CD1 4.39Å; R263-I267 WeakPolarHBondContact O-CD1 3.41Å; R263-I267 WeakPolarHBondContact O-CG1 3.45Å; R263-I267 PolarHBondContact O-N 3.08Å; E264-I267 PolarHBondContact O-N 3.41Å; Q265-I267 VanDerWaalsContact C-N 3.32Å; Q265-I267 PolarHBondContact O-N 2.72Å; I267-Q271 WeakPolarHBondContact O-CG 2.99Å; I267-Q271 PolarHBondContact O-N 3.22Å; I267-Q271 VanDerWaalsContact O-N 3.15Å
268	V	69.5	Low	52.6	Low	53 Å²	53	125.6 Å²	125.6	32%	0.321	63%	0.63	S	S	.	*	H	α-helix	trans	-65.8	-42.1	176.7	173.8	0	0	0	0	111.5	E264 Q265 Q271 K272	E264-V268 PolarHBondContact O-N 2.96Å; Q265-V268 PolarHBondContact O-N 3.47Å; V268-Q271 PolarHBondContact O-N 3.27Å; V268-K272 PolarHBondContact O-N 3.36Å
269	D	59.3	Low	51.9	Low	89 Å²	89	126.6 Å²	126.6	48%	0.476	63%	0.629	S	S	.	*	H	α-helix	trans	-71.9	-33.1	-179.7	-72	-28.6	0	0	0	112.8	Q265 K273	Q265-D269 PolarHBondContact O-N 3.35Å; D269-K273 PolarHBondContact O-N 3.49Å
270	Q	60.8	Low	51.5	Low	88 Å²	88	130.4 Å²	130.4	41%	0.411	64%	0.638	S	S	.	*	H	α-helix	trans	-58.7	-49.5	167.7	-76.4	-81.9	31.1	0	0	111.2	F266 K272 K273 H274	F266-Q270 HydrophobicContact CD1-CG 4.24Å; F266-Q270 HydrophobicContact CE1-CG 3.95Å; F266-Q270 HydrophobicContact CZ-CG 4.16Å; F266-Q270 WeakPolarHBondContact O-CB 3.05Å; F266-Q270 VanDerWaalsContact O-CG 3.25Å; F266-Q270 WeakPolarHBondContact O-CG 3.19Å; F266-Q270 PolarHBondContact O-N 2.94Å; Q270-K272 PolarHBondContact O-N 3.19Å; Q270-K273 PolarHBondContact O-N 3.11Å; Q270-K273 VanDerWaalsContact O-N 3.15Å; Q270-H274 PolarHBondContact O-CD2 3.24Å
271	Q	56.7	Low	49.8	Very low	137 Å²	137	126.4 Å²	126.4	64%	0.64	65%	0.647	S	S	*	*	H	α-helix	trans	-64.4	-38.9	-178.4	-73.1	177.5	-10	0	0	112.7	I267 V268 K273 H274	I267-Q271 WeakPolarHBondContact O-CG 2.99Å; I267-Q271 PolarHBondContact O-N 3.22Å; I267-Q271 VanDerWaalsContact O-N 3.15Å; V268-Q271 PolarHBondContact O-N 3.27Å; Q271-K273 PolarHBondContact O-N 3.37Å; Q271-H274 PolarHBondContact O-N 3.42Å
272	K	55.3	Low	48.3	Very low	154 Å²	154	132.2 Å²	132.2	67%	0.67	67%	0.668	S	S	*	*	H	α-helix	trans	-61.1	-29.5	174.2	-94.7	-176.8	172.6	179.2	0	113.7	V268 Q270 H274	V268-K272 PolarHBondContact O-N 3.36Å; Q270-K272 PolarHBondContact O-N 3.19Å; K272-H274 VanDerWaalsContact C-N 3.29Å; K272-H274 PolarHBondContact O-N 3.11Å
273	K	46.1	Very low	47.7	Very low	176 Å²	176	133 Å²	133	77%	0.765	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-14.3	-173.8	-128.3	173.2	-176.5	177.1	0	114.7	D269 Q270 Q271	D269-K273 PolarHBondContact O-N 3.49Å; Q270-K273 PolarHBondContact O-N 3.11Å; Q270-K273 VanDerWaalsContact O-N 3.15Å; Q271-K273 PolarHBondContact O-N 3.37Å
274	H	44.2	Very low	46.9	Very low	163 Å²	163	129.2 Å²	129.2	76%	0.755	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	6	-173.2	-75.2	-74.3	0	0	0	115.4	Q270 Q271 K272	Q270-H274 PolarHBondContact O-CD2 3.24Å; Q271-H274 PolarHBondContact O-N 3.42Å; K272-H274 VanDerWaalsContact C-N 3.29Å; K272-H274 PolarHBondContact O-N 3.11Å
275	S	38.9	Very low	45.3	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	68%	0.682	S	S	*	*	S	Bend	trans	-120.3	12.4	-165.5	-165.7	0	0	0	0	116.9
276	C	31.6	Very low	43.4	Very low	124 Å²	124	133.4 Å²	133.4	84%	0.838	71%	0.709	S	S	*	*			trans	-130.7	99.1	-174.7	-72.2	0	0	0	0	114.1
277	Q	33.1	Very low	41.9	Very low	177 Å²	177	131.5 Å²	131.5	83%	0.827	72%	0.717	S	S	*	*			trans	-147.3	119.8	163.1	-173.6	-175.8	33.9	0	0	110.7
278	P	36.1	Very low	40	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	74%	0.739	S	S	*	*			trans	-101.4	148	166.6	19.9	-3.2	0	0	0	112.3
279	Q	30.6	Very low	38	Very low	186 Å²	186	135 Å²	135	87%	0.869	77%	0.765	S	S	*	*			trans	-97.3	174.8	173.9	-74.8	-161.6	-6	0	0	113.3
280	R	31.1	Very low	36.7	Very low	257 Å²	257	138.8 Å²	138.8	97%	0.97	78%	0.781	S	S	*	*			trans	-81.1	158.3	-166.2	-70.7	174.8	166.5	169.6	-5.9	115.4
281	G	24.1	Very low	35.3	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	81%	0.806	S	S	*	*			trans	-148.3	151.7	155.6	0	0	0	0	0	111.7
282	H	30.9	Very low	34.2	Very low	188 Å²	188	147.4 Å²	147.4	87%	0.87	82%	0.815	S	S	*	*			trans	-153.7	171.5	178.9	-120	-4.9	0	0	0	107.2
283	P	41.9	Very low	32.9	Very low	108 Å²	108	145.1 Å²	145.1	70%	0.701	82%	0.819	S	S	*	*			cis	-131.4	-128	10.7	38.7	-15.9	0	0	0	111.4
284	P	40.6	Very low	32.2	Very low	119 Å²	119	144.7 Å²	144.7	77%	0.773	82%	0.824	S	S	*	*				-119.2	169.7	-65	33.2	-17.5	0	0	0	115
285	G	26.2	Very low	31.5	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	83%	0.831	S	S	*	*			trans	124.1	125.4	134.8	0	0	0	0	0	121.7
286	M	27.9	Very low	31.1	Very low	196 Å²	196	141 Å²	141	97%	0.966	84%	0.836	S	S	*	*			trans	70.3	130	148.7	-88.9	-168.8	166.3	0	0	125.4
287	A	27.4	Very low	31.2	Very low	90 Å²	90	143.3 Å²	143.3	74%	0.744	84%	0.84	S	S	*	*			trans	72.6	89	131.6	0	0	0	0	0	122.9
288	A	27.7	Very low	31.2	Very low	106 Å²	106	146.4 Å²	146.4	88%	0.876	84%	0.844	S	S	*	*				32.1	125.4	124.7	0	0	0	0	0	122.8
289	A	28.2	Very low	31.4	Very low	105 Å²	105	146.3 Å²	146.3	87%	0.868	85%	0.847	S	S	*	*			trans	-151.9	137.8	138.4	0	0	0	0	0	111.4
290	M	30.2	Very low	31.8	Very low	168 Å²	168	149 Å²	149	83%	0.828	85%	0.849	S	S	*	*			trans	-88.3	150.6	170.4	-71.8	-172.4	179.8	0	0	111.7
291	K	31.4	Very low	31.8	Very low	215 Å²	215	140.4 Å²	140.4	94%	0.935	84%	0.84	S	S	*	*			trans	-155.3	147.8	132.3	-109.9	156.8	-172.1	176.2	0	111.4
292	K	34.5	Very low	32.7	Very low	190 Å²	190	141.2 Å²	141.2	83%	0.826	84%	0.839	S	S	*	*			trans	-105.7	145.5	-173.6	-52.7	168.7	-177.5	175.3	0	109.5
293	S	27.9	Very low	33.1	Very low	107 Å²	107	142.6 Å²	142.6	75%	0.748	84%	0.843	S	S	*	*			trans	-162.7	127.6	142.2	-154.5	0	0	0	0	113.7
294	L	30.8	Very low	33	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	85%	0.847	S	S	*	*			trans	36.9	108.8	146.9	-58.3	175.3	0	0	0	120
295	G	30.6	Very low	33.4	Very low	87 Å²	87	146.7 Å²	146.7	90%	0.897	85%	0.852	S	S	*	*			trans	-75	175.4	174.8	0	0	0	0	0	116.9
296	A	31.2	Very low	34.3	Very low	98 Å²	98	151.6 Å²	151.6	81%	0.81	85%	0.853	S	S	*	*			trans	-136.7	123.9	168.7	0	0	0	0	0	108.5
297	N	31.9	Very low	35.3	Very low	174 Å²	174	148.3 Å²	148.3	93%	0.93	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-69	135.8	177.3	-88.2	-19.4	0	0	0	110.9
298	R	34.6	Very low	35.7	Very low	241 Å²	241	147.9 Å²	147.9	91%	0.909	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-93.7	132.7	156	-70.5	-168.4	177.8	-147.3	-0.9	108.9
299	S	39.7	Very low	35.9	Very low	121 Å²	121	148.5 Å²	148.5	85%	0.846	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-67.7	142.7	-178.1	35.6	0	0	0	0	112
300	R	38.4	Very low	36.4	Very low	244 Å²	244	150 Å²	150	92%	0.921	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.1	132.3	168.4	-70.7	178	172.5	165.7	-3.5	109.1
301	G	31	Very low	36.6	Very low	76 Å²	76	147.8 Å²	147.8	78%	0.784	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.8	151.7	171.1	0	0	0	0	0	111.9	F303	G301-F303 PolarHBondContact O-N 3.27Å
302	A	43.8	Very low	36.7	Very low	91 Å²	91	148.3 Å²	148.3	75%	0.752	82%	0.816	S	S	*	*	S	Bend	trans	-86	103.6	-171	0	0	0	0	0	113
303	F	39.4	Very low	36.7	Very low	217 Å²	217	145.6 Å²	145.6	95%	0.952	82%	0.818	S	S	*	*			trans	-161.9	44.9	150.1	-89	-55.5	0	0	0	111.6	G301	G301-F303 PolarHBondContact O-N 3.27Å
304	S	39.6	Very low	36.9	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.5	120.9	171.8	55	0	0	0	0	110.9
305	K	48.5	Very low	36.9	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-61.7	143.9	179.3	-63.1	-179.3	-179.4	178.4	0	111.4
306	F	45.9	Very low	36.8	Very low	178 Å²	178	155.7 Å²	155.7	78%	0.781	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.2	142.5	177.4	-179.9	-98.2	0	0	0	111.4
307	V	48.5	Very low	36.7	Very low	126 Å²	126	158.4 Å²	158.4	76%	0.764	83%	0.826	S	S	*	*			trans	-125.4	121	178.8	-179.5	0	0	0	0	108.6
308	S	36.3	Very low	36.5	Very low	81 Å²	81	155 Å²	155	57%	0.566	82%	0.816	S	S	*	*			trans	-78.1	136.4	-176.6	-64.1	0	0	0	0	112.6	I310	S308-I310 PolarHBondContact O-N 3.5Å; S308-I310 VanDerWaalsContact O-N 3.13Å
309	P	31.8	Very low	36.3	Very low	119 Å²	119	149.2 Å²	149.2	77%	0.773	81%	0.813	S	S	*	*			trans	-89.2	68.4	-175.9	36.6	-36.7	0	0	0	112.5
310	I	37.9	Very low	35.8	Very low	136 Å²	136	153 Å²	153	70%	0.697	81%	0.814	S	S	*	*			trans	-128	111.2	173.4	-58.4	179.3	0	0	0	109.3	S308	S308-I310 PolarHBondContact O-N 3.5Å; S308-I310 VanDerWaalsContact O-N 3.13Å
311	P	35	Very low	35.5	Very low	123 Å²	123	148.7 Å²	148.7	80%	0.799	81%	0.809	S	S	*	*			trans	-64.6	145.3	170.6	-18.2	31.7	0	0	0	111.4
312	R	34.2	Very low	35.4	Very low	225 Å²	225	150 Å²	150	85%	0.849	81%	0.807	S	S	*	*			trans	-125.6	152.2	160.5	-69.3	-173.8	-178.6	172.6	0.9	108.6
313	P	34.8	Very low	34.8	Very low	134 Å²	134	152.2 Å²	152.2	87%	0.87	81%	0.805	S	S	*	*			trans	-67	160	-170.7	-20.8	34.4	0	0	0	113.8
314	E	31.5	Very low	34.9	Very low	184 Å²	184	148 Å²	148	86%	0.86	80%	0.8	S	S	*	*			trans	-81.9	133.9	174.7	-62.9	157.2	150.5	0	0	110
315	E	29.7	Very low	34.5	Very low	197 Å²	197	150.1 Å²	150.1	92%	0.921	80%	0.798	S	S	*	*			trans	-131.8	122	152.7	-73.6	-170	160	0	0	107.3
316	E	29.3	Very low	34.2	Very low	191 Å²	191	146 Å²	146	89%	0.893	79%	0.791	S	S	*	*			trans	-84.4	144.6	176.6	-58	179.2	115.9	0	0	109.7
317	D	28.3	Very low	34.3	Very low	155 Å²	155	146.1 Å²	146.1	83%	0.829	79%	0.794	S	S	*	*				174.3	170.8	100	-149.6	-12.7	0	0	0	112.7
318	S	28.3	Very low	34.2	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	80%	0.796	S	S	*	*			trans	71.5	78.4	162.4	72.1	0	0	0	0	117.5
319	S	30	Very low	35.2	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	79%	0.79	S	S	*	*			trans	-58.8	132.2	171.2	49.8	0	0	0	0	114.7
320	K	29.7	Very low	37	Very low	201 Å²	201	144.7 Å²	144.7	87%	0.874	77%	0.768	S	S	*	*			trans	-120.1	101.8	151.6	-83	-172.7	177.5	177.1	0	109.2	S322	K320-S322 PolarHBondContact O-N 3.12Å; K320-S322 VanDerWaalsContact O-N 3.11Å
321	N	31.8	Very low	38.7	Very low	154 Å²	154	145 Å²	145	82%	0.824	77%	0.766	S	S	*	*			trans	-85.5	81.5	-172.5	-162	21.8	0	0	0	111.3
322	S	29.9	Very low	40.5	Very low	104 Å²	104	146 Å²	146	73%	0.727	75%	0.754	S	S	*	*			trans	-93.1	109.5	168.4	56.8	0	0	0	0	110.2	K320	K320-S322 PolarHBondContact O-N 3.12Å; K320-S322 VanDerWaalsContact O-N 3.11Å
323	N	30.8	Very low	42.7	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	72%	0.716	S	S	*	*			trans	-52.9	143.1	160.3	-77.7	-28.9	0	0	0	109.1	E325	N323-E325 PolarHBondContact O-N 3.44Å
324	P	40.7	Very low	44.8	Very low	129 Å²	129	135.5 Å²	135.5	84%	0.838	70%	0.701	S	S	*	*			trans	-66.3	92.7	158.3	29.2	-31.5	0	0	0	107.6
325	E	30.8	Very low	47.3	Very low	157 Å²	157	133.6 Å²	133.6	73%	0.734	70%	0.697	S	S	*	*			trans	-56.5	132	173.8	-170.7	168.2	-135	0	0	108.7	N323 Q327	N323-E325 PolarHBondContact O-N 3.44Å; E325-Q327 PolarHBondContact O-N 3.41Å
326	P	44	Very low	50	Low	114 Å²	114	126.7 Å²	126.7	74%	0.74	66%	0.664	S	S	*	*			trans	-62	112.5	179.9	25.3	-33.3	0	0	0	108.4	I328	P326-I328 PolarHBondContact O-N 3.06Å
327	Q	47.3	Very low	52.9	Low	180 Å²	180	122.2 Å²	122.2	84%	0.841	64%	0.643	S	S	*	*			trans	-49.5	128.2	-175.9	-70.3	-179.1	-10.5	0	0	109.9	E325 L329	E325-Q327 PolarHBondContact O-N 3.41Å; Q327-L329 VanDerWaalsContact C-N 3.31Å; Q327-L329 PolarHBondContact O-N 3.28Å
328	I	46.6	Very low	55.7	Low	158 Å²	158	119.1 Å²	119.1	81%	0.81	63%	0.631	S	S	*	*			trans	-69.9	91.4	-172.4	-55.9	176.2	0	0	0	108.6	P326 D330	P326-I328 PolarHBondContact O-N 3.06Å; I328-D330 PolarHBondContact O-N 3.3Å; I328-D330 VanDerWaalsContact O-N 3.13Å
329	L	56.9	Low	58.6	Low	84 Å²	84	122.1 Å²	122.1	44%	0.44	63%	0.631	S	S	.	*			trans	-57.1	115.3	162.7	-71.3	168.3	0	0	0	107.3	Q327 L333 V341	Q327-L329 VanDerWaalsContact C-N 3.31Å; Q327-L329 PolarHBondContact O-N 3.28Å; L329-L333 HydrophobicContact CD2-CD1 4.49Å; L329-V341 HydrophobicContact CD2-CG1 4.11Å
330	D	68.9	Low	61.4	Low	55 Å²	55	117.2 Å²	117.2	29%	0.294	60%	0.596	S	S	.	*			trans	-45.1	142.9	176	-175.7	-40.8	0	0	0	109.5	I328 R332 L333 K334	I328-D330 PolarHBondContact O-N 3.3Å; I328-D330 VanDerWaalsContact O-N 3.13Å; D330-R332 PolarHBondContact O-N 2.93Å; D330-R332 WeakPolarHBondContact OD1-CB 3.28Å; D330-R332 WeakPolarHBondContact OD1-CD 3.44Å; D330-R332 VanDerWaalsContact OD1-CG 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.24Å; D330-R332 PolarHBondContact OD1-N 3.26Å; D330-L333 HydrophobicContact CB-CD1 4.26Å; D330-L333 HydrophobicContact CB-CG 4.19Å; D330-L333 WeakPolarHBondContact O-CA 3.29Å; D330-L333 WeakPolarHBondContact O-CB 3.46Å; D330-L333 PolarHBondContact O-N 3.03Å; D330-K334 PolarHBondContact O-N 3.48Å
331	E	74	Confident	64.3	Low	141 Å²	141	107.9 Å²	107.9	66%	0.659	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-29.9	179.4	-55	-135.2	101.3	0	0	112.8	L333 K334	E331-L333 VanDerWaalsContact C-N 3.28Å; E331-L333 PolarHBondContact O-N 3.06Å; E331-K334 HydrophobicContact CB-CD 4.45Å; E331-K334 PolarHBondContact O-N 3.13Å; E331-K334 IonicContact OE1-NZ 3.34Å; E331-K334 PolarHBondContact OE1-NZ 3.01Å
332	R	74.2	Confident	67.1	Low	145 Å²	145	107.1 Å²	107.1	55%	0.547	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.3	173.8	-63.3	164.7	175.6	-166.5	-3.9	113.2	D330 R447	D330-R332 PolarHBondContact O-N 2.93Å; D330-R332 WeakPolarHBondContact OD1-CB 3.28Å; D330-R332 WeakPolarHBondContact OD1-CD 3.44Å; D330-R332 VanDerWaalsContact OD1-CG 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.24Å; D330-R332 PolarHBondContact OD1-N 3.26Å; R332-R447 PolarHBondContact NH1-O 3.08Å
333	L	80.3	Confident	70	Confident	10 Å²	10	105 Å²	105	5%	0.052	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-18	-176.9	-59.7	-179.6	0	0	0	113.5	L329 D330 E331 N335 F336 V341 A444 I445	L329-L333 HydrophobicContact CD2-CD1 4.49Å; D330-L333 HydrophobicContact CB-CD1 4.26Å; D330-L333 HydrophobicContact CB-CG 4.19Å; D330-L333 WeakPolarHBondContact O-CA 3.29Å; D330-L333 WeakPolarHBondContact O-CB 3.46Å; D330-L333 PolarHBondContact O-N 3.03Å; E331-L333 VanDerWaalsContact C-N 3.28Å; E331-L333 PolarHBondContact O-N 3.06Å; L333-N335 PolarHBondContact O-N 3.38Å; L333-F336 PolarHBondContact O-N 3.34Å; L333-V341 HydrophobicContact CD1-CG1 4.34Å; L333-A444 HydrophobicContact CD2-CB 4.04Å; L333-I445 HydrophobicContact CD1-CG1 4.35Å; L333-I445 HydrophobicContact CD2-CG1 3.56Å
334	K	77.6	Confident	72.9	Confident	128 Å²	128	98.6 Å²	98.6	56%	0.557	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.9	-179.8	-64.5	178.4	-176.5	176.9	0	114.7	D330 E331	D330-K334 PolarHBondContact O-N 3.48Å; E331-K334 HydrophobicContact CB-CD 4.45Å; E331-K334 PolarHBondContact O-N 3.13Å; E331-K334 IonicContact OE1-NZ 3.34Å; E331-K334 PolarHBondContact OE1-NZ 3.01Å
335	N	83.8	Confident	75.3	Confident	144 Å²	144	95.5 Å²	95.5	77%	0.77	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-6	179.1	-63	-43.8	0	0	0	114.1	L333	L333-N335 PolarHBondContact O-N 3.38Å
336	F	87.8	Confident	78	Confident	52 Å²	52	91.9 Å²	91.9	23%	0.228	46%	0.46	C	S	.	.	S	Bend	trans	-105.4	154.4	-178.2	-64	-82.6	0	0	0	111.8	L333 V341 R440 A441 A444	L333-F336 PolarHBondContact O-N 3.34Å; F336-V341 HydrophobicContact CB-CG2 3.98Å; F336-R440 HydrophobicContact CE1-CB 3.73Å; F336-R440 HydrophobicContact CZ-CB 4.05Å; F336-A441 HydrophobicContact CD1-CB 3.67Å; F336-A441 HydrophobicContact CE1-CB 3.92Å; F336-A441 HydrophobicContact CG-CB 4.16Å; F336-A444 HydrophobicContact CD2-CB 4.41Å; F336-A444 HydrophobicContact CE2-CB 3.54Å; F336-A444 HydrophobicContact CZ-CB 3.86Å
337	E	88.4	Confident	80	Confident	97 Å²	97	93.5 Å²	93.5	45%	0.453	46%	0.458	S	S	.	.			trans	-69.1	127.7	174.6	-68.5	172.1	-128	0	0	109.4	K339 I340 V341 K437	E337-K339 PolarHBondContact O-N 3.41Å; E337-K339 VanDerWaalsContact O-N 3.08Å; E337-I340 HydrophobicContact CB-CD1 4.16Å; E337-I340 HydrophobicContact CB-CG1 4.26Å; E337-I340 WeakPolarHBondContact O-CB 3.25Å; E337-I340 PolarHBondContact O-N 2.62Å; E337-V341 PolarHBondContact O-N 3.16Å; E337-K437 IonicContact OE1-NZ 3.13Å; E337-K437 PolarHBondContact OE1-NZ 2.73Å
338	P	88.2	Confident	81.9	Confident	90 Å²	90	85.7 Å²	85.7	58%	0.584	42%	0.421	S	S	*	.	H	α-helix	trans	-61.2	-28.6	-169.2	21.9	-33.3	0	0	0	112.8	I340 V341 E342	P338-I340 VanDerWaalsContact C-N 3.32Å; P338-I340 PolarHBondContact O-N 3.07Å; P338-V341 PolarHBondContact O-N 3.11Å; P338-E342 WeakPolarHBondContact O-CB 3.39Å; P338-E342 PolarHBondContact O-N 3.4Å
339	K	89.3	Confident	84	Confident	166 Å²	166	79.2 Å²	79.2	72%	0.722	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-36.8	173.6	-63.1	-177	178	-177.2	0	113.5	E337 L343	E337-K339 PolarHBondContact O-N 3.41Å; E337-K339 VanDerWaalsContact O-N 3.08Å; K339-L343 VanDerWaalsContact O-CB 3.23Å; K339-L343 WeakPolarHBondContact O-CB 3.46Å; K339-L343 PolarHBondContact O-N 3.23Å
340	I	89.5	Confident	85.6	Confident	17 Å²	17	77.5 Å²	77.5	9%	0.087	38%	0.379	C	S	.	.	H	α-helix	trans	-72.2	-36.6	178.4	-58.5	177.6	0	0	0	109.4	E337 P338 I344 K437 M438 A441	E337-I340 HydrophobicContact CB-CD1 4.16Å; E337-I340 HydrophobicContact CB-CG1 4.26Å; E337-I340 WeakPolarHBondContact O-CB 3.25Å; E337-I340 PolarHBondContact O-N 2.62Å; P338-I340 VanDerWaalsContact C-N 3.32Å; P338-I340 PolarHBondContact O-N 3.07Å; I340-I344 HydrophobicContact CG2-CD1 3.87Å; I340-I344 WeakPolarHBondContact O-CD1 3.42Å; I340-I344 VanDerWaalsContact O-CG1 3.25Å; I340-I344 WeakPolarHBondContact O-CG1 3.36Å; I340-I344 PolarHBondContact O-N 2.8Å; I340-I344 VanDerWaalsContact O-N 3.07Å; I340-K437 HydrophobicContact CD1-CB 4.14Å; I340-K437 HydrophobicContact CD1-CD 4.33Å; I340-M438 HydrophobicContact CG2-CB 4.47Å; I340-M438 HydrophobicContact CG2-CG 4.45Å; I340-A441 HydrophobicContact CG2-CB 3.69Å
341	V	90.3	Very high	86.3	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.03	40%	0.398	C	S	.	.	H	α-helix	trans	-66.6	-48.2	174.7	-177.1	0	0	0	0	110.8	L329 L333 F336 E337 P338 L343 I344 M345 I445	L329-V341 HydrophobicContact CD2-CG1 4.11Å; L333-V341 HydrophobicContact CD1-CG1 4.34Å; F336-V341 HydrophobicContact CB-CG2 3.98Å; E337-V341 PolarHBondContact O-N 3.16Å; P338-V341 PolarHBondContact O-N 3.11Å; V341-L343 PolarHBondContact O-N 2.84Å; V341-I344 PolarHBondContact O-N 3.07Å; V341-M345 HydrophobicContact CG1-CG 4.37Å; V341-M345 HydrophobicContact CG1-SD 3.76Å; V341-M345 WeakPolarHBondContact O-CB 3.49Å; V341-M345 VanDerWaalsContact O-CG 3.31Å; V341-M345 WeakPolarHBondContact O-CG 3.28Å; V341-M345 PolarHBondContact O-N 2.87Å; V341-I445 HydrophobicContact CB-CD1 4.29Å; V341-I445 HydrophobicContact CG1-CD1 3.97Å; V341-I445 HydrophobicContact CG1-CG1 4.42Å; V341-I445 HydrophobicContact CG2-CD1 4.38Å
342	E	90.4	Very high	86.7	Confident	137 Å²	137	77 Å²	77	64%	0.64	39%	0.385	S	S	*	.	H	α-helix	trans	-58	-45.5	176.1	-174.2	174.9	-163.2	0	0	111.8	P338 M345 S346	P338-E342 WeakPolarHBondContact O-CB 3.39Å; P338-E342 PolarHBondContact O-N 3.4Å; E342-M345 PolarHBondContact O-N 3.03Å; E342-S346 VanDerWaalsContact O-CB 3.32Å; E342-S346 WeakPolarHBondContact O-CB 3.36Å; E342-S346 PolarHBondContact O-N 2.76Å; E342-S346 PolarHBondContact O-OG 2.91Å
343	L	90.9	Very high	87.2	Confident	61 Å²	61	75.3 Å²	75.3	32%	0.319	39%	0.393	S	S	.	.	H	α-helix	trans	-58.1	-49.7	175	-175.6	71.5	0	0	0	111.8	K339 V341 M345 S346 E347 M438	K339-L343 VanDerWaalsContact O-CB 3.23Å; K339-L343 WeakPolarHBondContact O-CB 3.46Å; K339-L343 PolarHBondContact O-N 3.23Å; V341-L343 PolarHBondContact O-N 2.84Å; L343-M345 VanDerWaalsContact C-N 3.34Å; L343-M345 PolarHBondContact O-N 3.32Å; L343-S346 PolarHBondContact O-N 2.74Å; L343-E347 VanDerWaalsContact CD1-CD 3.45Å; L343-E347 HydrophobicContact CD1-CG 4.09Å; L343-E347 WeakPolarHBondContact CD1-OE2 3.45Å; L343-E347 PolarHBondContact O-N 2.89Å; L343-M438 HydrophobicContact CD2-SD 4.06Å
344	I	91.6	Very high	87.7	Confident	0 Å²	0	80 Å²	80	0%	0	42%	0.424	C	S	.	.	I	π-helix	trans	-66.9	-36.5	-179.1	-66.2	163	0	0	0	111.6	I340 V341 I348 M349 F420 M438 A441 L442 I445	I340-I344 HydrophobicContact CG2-CD1 3.87Å; I340-I344 WeakPolarHBondContact O-CD1 3.42Å; I340-I344 VanDerWaalsContact O-CG1 3.25Å; I340-I344 WeakPolarHBondContact O-CG1 3.36Å; I340-I344 PolarHBondContact O-N 2.8Å; I340-I344 VanDerWaalsContact O-N 3.07Å; V341-I344 PolarHBondContact O-N 3.07Å; I344-I348 HydrophobicContact CB-CD1 4.37Å; I344-I348 HydrophobicContact CG1-CD1 3.83Å; I344-I348 HydrophobicContact CG2-CB 4.37Å; I344-I348 HydrophobicContact CG2-CG2 4.46Å; I344-I348 PolarHBondContact O-N 2.93Å; I344-M349 PolarHBondContact O-N 2.82Å; I344-F420 HydrophobicContact CG2-CD1 4.29Å; I344-F420 HydrophobicContact CG2-CE1 4.31Å; I344-M438 HydrophobicContact CD1-CG 4.3Å; I344-A441 HydrophobicContact CD1-CB 3.58Å; I344-L442 HydrophobicContact CD1-CB 4.29Å; I344-L442 HydrophobicContact CG2-CD1 3.9Å; I344-I445 HydrophobicContact CB-CD1 3.71Å; I344-I445 HydrophobicContact CD1-CD1 3.81Å; I344-I445 HydrophobicContact CG1-CD1 4.38Å; I344-I445 HydrophobicContact CG2-CB 4.44Å; I344-I445 HydrophobicContact CG2-CD1 3.66Å; I344-I445 HydrophobicContact CG2-CG2 4.31Å
345	M	90	Very high	88.4	Confident	65 Å²	65	74.8 Å²	74.8	32%	0.32	40%	0.402	S	S	.	.	I	π-helix	trans	-77.5	-17	179.2	-68.6	-177.1	72.6	0	0	114	V341 E342 L343 M349 I445	V341-M345 HydrophobicContact CG1-CG 4.37Å; V341-M345 HydrophobicContact CG1-SD 3.76Å; V341-M345 WeakPolarHBondContact O-CB 3.49Å; V341-M345 VanDerWaalsContact O-CG 3.31Å; V341-M345 WeakPolarHBondContact O-CG 3.28Å; V341-M345 PolarHBondContact O-N 2.87Å; E342-M345 PolarHBondContact O-N 3.03Å; L343-M345 VanDerWaalsContact C-N 3.34Å; L343-M345 PolarHBondContact O-N 3.32Å; M345-M349 HydrophobicContact CG-CE 4.27Å; M345-I445 HydrophobicContact CG-CG2 4.26Å
346	S	87.6	Confident	88.9	Confident	80 Å²	80	69.5 Å²	69.5	56%	0.559	38%	0.379	S	S	*	.	I	π-helix	trans	-110.4	-34.1	-177.3	58	0	0	0	0	115	E342 L343	E342-S346 VanDerWaalsContact O-CB 3.32Å; E342-S346 WeakPolarHBondContact O-CB 3.36Å; E342-S346 PolarHBondContact O-N 2.76Å; E342-S346 PolarHBondContact O-OG 2.91Å; L343-S346 PolarHBondContact O-N 2.74Å
347	E	86.3	Confident	89.1	Confident	149 Å²	149	67.9 Å²	67.9	70%	0.696	37%	0.371	S	S	*	.	I	π-helix	trans	-104.4	-32.1	-179.3	-63.8	-171.1	-178.3	0	0	113.5	L343	L343-E347 VanDerWaalsContact CD1-CD 3.45Å; L343-E347 HydrophobicContact CD1-CG 4.09Å; L343-E347 WeakPolarHBondContact CD1-OE2 3.45Å; L343-E347 PolarHBondContact O-N 2.89Å
348	I	87.8	Confident	89.2	Confident	15 Å²	15	69 Å²	69	8%	0.077	38%	0.381	C	S	.	.	I	π-helix	trans	-99.8	-32.5	-172.8	-66.6	156.7	0	0	0	112.1	I344 D350 F420 S421 I422 L442	I344-I348 HydrophobicContact CB-CD1 4.37Å; I344-I348 HydrophobicContact CG1-CD1 3.83Å; I344-I348 HydrophobicContact CG2-CB 4.37Å; I344-I348 HydrophobicContact CG2-CG2 4.46Å; I344-I348 PolarHBondContact O-N 2.93Å; I348-D350 PolarHBondContact O-N 2.86Å; I348-F420 HydrophobicContact CG2-CB 4.04Å; I348-F420 HydrophobicContact CG2-CD1 4.27Å; I348-F420 CarbonylContact O-C 3.58Å; I348-F420 VanDerWaalsContact O-CA 3.3Å; I348-F420 WeakPolarHBondContact O-CA 3.3Å; I348-S421 PolarHBondContact O-N 3.45Å; I348-I422 HydrophobicContact CD1-CD1 3.71Å; I348-I422 HydrophobicContact CD1-CG1 4.28Å; I348-I422 HydrophobicContact CG1-CB 4.49Å; I348-I422 HydrophobicContact CG1-CD1 4.27Å; I348-I422 HydrophobicContact CG1-CG1 4.33Å; I348-I422 HydrophobicContact CG2-CB 4.18Å; I348-L442 HydrophobicContact CG2-CD1 3.95Å
349	M	89.8	Confident	89.3	Confident	22 Å²	22	68.5 Å²	68.5	11%	0.108	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-74.7	121.5	172.7	-164.5	-176.5	-61.4	0	0	110.2	I344 M345 F420 I445	I344-M349 PolarHBondContact O-N 2.82Å; M345-M349 HydrophobicContact CG-CE 4.27Å; M349-F420 HydrophobicContact CB-CD1 4.22Å; M349-F420 HydrophobicContact CB-CE1 4.12Å; M349-F420 HydrophobicContact CE-CE1 3.63Å; M349-F420 HydrophobicContact CE-CZ 3.76Å; M349-F420 HydrophobicContact CG-CD1 4.45Å; M349-F420 HydrophobicContact CG-CE1 4.13Å; M349-I445 HydrophobicContact CE-CG2 4.39Å
350	D	90.3	Very high	89.5	Confident	49 Å²	49	61 Å²	61	26%	0.262	34%	0.341	S	S	.	.			trans	-80.9	131.4	-176.3	-176	29.3	0	0	0	111.8	I348 G352 K409 F419	I348-D350 PolarHBondContact O-N 2.86Å; D350-G352 PolarHBondContact OD1-N 3Å; D350-K409 IonicContact OD1-NZ 2.7Å; D350-K409 PolarHBondContact OD1-NZ 3.07Å; D350-K409 VanDerWaalsContact OD1-NZ 3.16Å; D350-K409 IonicContact OD2-NZ 3.22Å; D350-K409 PolarHBondContact OD2-NZ 3.33Å; D350-F419 HydrophobicContact CB-CB 4.14Å; D350-F419 HydrophobicContact CB-CD1 3.66Å; D350-F419 HydrophobicContact CB-CG 4.39Å; D350-F419 PolarHBondContact N-O 3.05Å; D350-F419 WeakPolarHBondContact OD2-CD1 3.43Å
351	H	85.4	Confident	89.6	Confident	147 Å²	147	61 Å²	61	68%	0.681	34%	0.343	S	S	*	.			trans	-120.3	15.8	174.8	-60.1	-20.6	0	0	0	111.6
352	G	80.8	Confident	89.7	Confident	37 Å²	37	61.1 Å²	61.1	38%	0.381	35%	0.345	S	S	.	.	S	Bend	trans	-67.8	173.1	178.1	0	0	0	0	0	114.4	D350	D350-G352 PolarHBondContact OD1-N 3Å
353	P	86.3	Confident	89.6	Confident	111 Å²	111	56.3 Å²	56.3	72%	0.721	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-63.7	145.1	178.2	27.9	-35.1	0	0	0	111.5
354	P	90.2	Very high	89.7	Confident	108 Å²	108	58.6 Å²	58.6	70%	0.701	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-66.5	143.3	-179.6	28.4	-35.2	0	0	0	111.6	C413	P354-C413 HydrophobicContact CB-CB 4.4Å
355	V	92.8	Very high	89.6	Confident	18 Å²	18	64.1 Å²	64.1	11%	0.109	36%	0.357	C	S	.	.			trans	-107	130.5	-179.6	-176.8	0	0	0	0	110.1	D359 K409 C410 C413	V355-D359 HydrophobicContact CG1-CB 4.18Å; V355-K409 HydrophobicContact CB-CB 4.4Å; V355-K409 HydrophobicContact CG2-CB 3.92Å; V355-K409 HydrophobicContact CG2-CD 4.45Å; V355-C410 HydrophobicContact CB-CB 4.23Å; V355-C410 HydrophobicContact CG1-CB 3.94Å; V355-C413 PolarHBondContact N-SG 3.15Å
356	A	92.4	Very high	89.7	Confident	33 Å²	33	61.2 Å²	61.2	27%	0.273	34%	0.343	S	S	.	.			trans	-97.9	164.8	177.7	0	0	0	0	0	112.5	D358 D359 C410	A356-D358 PolarHBondContact O-N 2.57Å; A356-D359 WeakPolarHBondContact CB-OD2 3.27Å; A356-D359 PolarHBondContact N-OD2 2.94Å; A356-D359 PolarHBondContact O-N 3.04Å; A356-C410 VanDerWaalsContact C-SG 3.59Å
357	W	92.2	Very high	90	Very high	19 Å²	19	58.5 Å²	58.5	7%	0.072	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.4	175.3	-74	113.4	0	0	0	113.9	I360 K367 I370 K371 V375 Q414	W357-I360 HydrophobicContact CE3-CD1 4.34Å; W357-I360 HydrophobicContact CZ3-CD1 4.37Å; W357-K367 HydrophobicContact CE3-CB 4.22Å; W357-K367 HydrophobicContact CE3-CD 4.39Å; W357-K367 HydrophobicContact CE3-CG 3.79Å; W357-K367 HydrophobicContact CZ3-CB 4.17Å; W357-K367 HydrophobicContact CZ3-CG 3.88Å; W357-K367 WeakPolarHBondContact O-CE 3.4Å; W357-I370 HydrophobicContact CH2-CB 4.3Å; W357-I370 HydrophobicContact CH2-CG2 3.79Å; W357-I370 HydrophobicContact CZ2-CG2 4.38Å; W357-K371 VanDerWaalsContact CG-CE 3.43Å; W357-K371 HydrophobicContact CZ2-CG 3.83Å; W357-K371 VanDerWaalsContact NE1-CE 3.27Å; W357-V375 HydrophobicContact CZ2-CG2 4.08Å; W357-Q414 VanDerWaalsContact CD1-CD 3.49Å; W357-Q414 HydrophobicContact CZ2-CG 4.49Å
358	D	91.6	Very high	90.3	Very high	121 Å²	121	54.6 Å²	54.6	65%	0.647	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-19.2	-175.9	-49.4	-50.7	0	0	0	112.6	A356 I360 Q532 N536	A356-D358 PolarHBondContact O-N 2.57Å; D358-I360 VanDerWaalsContact C-N 3.25Å; D358-Q532 PolarHBondContact O-NE2 2.8Å; D358-N536 PolarHBondContact O-ND2 2.74Å
359	D	89.9	Confident	90.6	Very high	79 Å²	79	54.9 Å²	54.9	42%	0.422	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.1	168.4	-64.8	-58.8	0	0	0	111.5	V355 A356	V355-D359 HydrophobicContact CG1-CB 4.18Å; A356-D359 WeakPolarHBondContact CB-OD2 3.27Å; A356-D359 PolarHBondContact N-OD2 2.94Å; A356-D359 PolarHBondContact O-N 3.04Å
360	I	92.9	Very high	90.7	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.046	31%	0.305	C	S	.	.	S	Bend	trans	-88	118.9	177	-58	175.5	0	0	0	108.9	W357 D358 L363 K367 L406 I407 C410	W357-I360 HydrophobicContact CE3-CD1 4.34Å; W357-I360 HydrophobicContact CZ3-CD1 4.37Å; D358-I360 VanDerWaalsContact C-N 3.25Å; I360-L363 HydrophobicContact CG2-CD1 4.19Å; I360-K367 VanDerWaalsContact O-CE 3.27Å; I360-K367 WeakPolarHBondContact O-CE 3.38Å; I360-K367 PolarHBondContact O-NZ 2.89Å; I360-L406 HydrophobicContact CG1-CB 4.49Å; I360-I407 HydrophobicContact CD1-CG1 4.05Å; I360-C410 HydrophobicContact CD1-CB 3.67Å
361	A	92.9	Very high	90.9	Very high	17 Å²	17	54.6 Å²	54.6	14%	0.14	31%	0.306	C	S	.	.			trans	-82.6	136.7	177.8	0	0	0	0	0	112.9	A529 Q532 I533	A361-A529 HydrophobicContact CB-CB 4.17Å; A361-Q532 HydrophobicContact CB-CB 4.07Å; A361-Q532 HydrophobicContact CB-CG 4.11Å; A361-I533 HydrophobicContact CB-CD1 4.12Å; A361-I533 HydrophobicContact CB-CG1 3.49Å; A361-I533 VanDerWaalsContact CB-CG1 3.49Å
362	G	90.9	Very high	91.3	Very high	7 Å²	7	52 Å²	52	7%	0.072	29%	0.294	C	S	.	.	S	Bend	trans	57	-146	179.6	0	0	0	0	0	114.3	E364 K367	G362-E364 VanDerWaalsContact C-CD 3.41Å; G362-E364 VanDerWaalsContact C-N 3.32Å; G362-E364 WeakPolarHBondContact CA-OE1 3.44Å; G362-E364 WeakPolarHBondContact CA-OE2 3.41Å; G362-E364 PolarHBondContact O-N 2.75Å; G362-E364 VanDerWaalsContact O-OE1 3.06Å; G362-K367 WeakPolarHBondContact O-CD 3.4Å; G362-K367 WeakPolarHBondContact O-CE 3.24Å; G362-K367 PolarHBondContact O-NZ 3.46Å
363	L	90	Very high	91.7	Very high	35 Å²	35	51.9 Å²	51.9	18%	0.183	28%	0.284	C	S	.	.			trans	62.9	31.3	177.1	-56	170.6	0	0	0	114.2	I360 F365 A366 K367 I407 V522 P523	I360-L363 HydrophobicContact CG2-CD1 4.19Å; L363-F365 VanDerWaalsContact C-N 3.27Å; L363-F365 PolarHBondContact O-N 2.8Å; L363-F365 VanDerWaalsContact O-N 3.16Å; L363-A366 HydrophobicContact CB-CB 4.43Å; L363-A366 PolarHBondContact O-N 2.95Å; L363-K367 WeakPolarHBondContact O-CG 3.26Å; L363-K367 PolarHBondContact O-N 2.92Å; L363-I407 HydrophobicContact CD1-CD1 4.01Å; L363-V522 HydrophobicContact CD1-CG1 3.76Å; L363-V522 HydrophobicContact CD2-CG1 4.12Å; L363-P523 HydrophobicContact CD2-CG 4.04Å
364	E	91.3	Very high	92	Very high	109 Å²	109	46.6 Å²	46.6	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-52.7	-40	-173.8	-78.1	52.2	-120.5	0	0	113.2	G362 K367 T368	G362-E364 VanDerWaalsContact C-CD 3.41Å; G362-E364 VanDerWaalsContact C-N 3.32Å; G362-E364 WeakPolarHBondContact CA-OE1 3.44Å; G362-E364 WeakPolarHBondContact CA-OE2 3.41Å; G362-E364 PolarHBondContact O-N 2.75Å; G362-E364 VanDerWaalsContact O-OE1 3.06Å; E364-K367 IonicContact OE1-NZ 2.72Å; E364-K367 PolarHBondContact OE1-NZ 2.96Å; E364-T368 VanDerWaalsContact O-CB 3.29Å; E364-T368 WeakPolarHBondContact O-CB 3.49Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 PolarHBondContact O-OG1 2.86Å
365	F	90.9	Very high	92.1	Very high	117 Å²	117	41.7 Å²	41.7	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-48.4	175.3	175.6	-106.1	0	0	0	112.3	L363 T368 T369 L520 C629	L363-F365 VanDerWaalsContact C-N 3.27Å; L363-F365 PolarHBondContact O-N 2.8Å; L363-F365 VanDerWaalsContact O-N 3.16Å; F365-T368 PolarHBondContact O-N 2.91Å; F365-T369 VanDerWaalsContact O-CB 3.28Å; F365-T369 WeakPolarHBondContact O-CB 3.26Å; F365-T369 PolarHBondContact O-N 2.77Å; F365-T369 PolarHBondContact O-OG1 3.25Å; F365-L520 HydrophobicContact CE1-CD2 4.48Å; F365-C629 WeakPolarHBondContact CZ-O 3.33Å
366	A	92.3	Very high	92.1	Very high	4 Å²	4	47 Å²	47	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-45.5	179	0	0	0	0	0	111	L363 T368 T369 I370	L363-A366 HydrophobicContact CB-CB 4.43Å; L363-A366 PolarHBondContact O-N 2.95Å; A366-T368 VanDerWaalsContact C-N 3.35Å; A366-T368 PolarHBondContact O-N 3.26Å; A366-T369 PolarHBondContact O-N 2.88Å; A366-I370 VanDerWaalsContact O-CB 3.29Å; A366-I370 WeakPolarHBondContact O-CB 2.95Å; A366-I370 WeakPolarHBondContact O-CD1 3.33Å; A366-I370 WeakPolarHBondContact O-CG1 3.39Å; A366-I370 PolarHBondContact O-N 3.41Å
367	K	92.8	Very high	92	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	22%	0.224	C	C	.	.	H	α-helix	trans	-53.4	-49.2	174	-72.3	175.1	169.7	163.9	0	111.9	W357 I360 G362 L363 E364 K371	W357-K367 HydrophobicContact CE3-CB 4.22Å; W357-K367 HydrophobicContact CE3-CD 4.39Å; W357-K367 HydrophobicContact CE3-CG 3.79Å; W357-K367 HydrophobicContact CZ3-CB 4.17Å; W357-K367 HydrophobicContact CZ3-CG 3.88Å; W357-K367 WeakPolarHBondContact O-CE 3.4Å; I360-K367 VanDerWaalsContact O-CE 3.27Å; I360-K367 WeakPolarHBondContact O-CE 3.38Å; I360-K367 PolarHBondContact O-NZ 2.89Å; G362-K367 WeakPolarHBondContact O-CD 3.4Å; G362-K367 WeakPolarHBondContact O-CE 3.24Å; G362-K367 PolarHBondContact O-NZ 3.46Å; L363-K367 WeakPolarHBondContact O-CG 3.26Å; L363-K367 PolarHBondContact O-N 2.92Å; E364-K367 IonicContact OE1-NZ 2.72Å; E364-K367 PolarHBondContact OE1-NZ 2.96Å; K367-K371 WeakPolarHBondContact O-CB 3.31Å; K367-K371 VanDerWaalsContact O-CG 3.25Å; K367-K371 WeakPolarHBondContact O-CG 3.2Å; K367-K371 PolarHBondContact O-N 2.91Å
368	T	93.4	Very high	91.8	Very high	68 Å²	68	45.5 Å²	45.5	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-49.8	-178.3	-54.4	0	0	0	0	110.7	E364 F365 A366 I370 K371 E372	E364-T368 VanDerWaalsContact O-CB 3.29Å; E364-T368 WeakPolarHBondContact O-CB 3.49Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 PolarHBondContact O-OG1 2.86Å; F365-T368 PolarHBondContact O-N 2.91Å; A366-T368 VanDerWaalsContact C-N 3.35Å; A366-T368 PolarHBondContact O-N 3.26Å; T368-I370 VanDerWaalsContact C-N 3.29Å; T368-I370 PolarHBondContact O-N 2.82Å; T368-K371 PolarHBondContact O-N 2.83Å; T368-K371 VanDerWaalsContact O-N 3.15Å; T368-E372 WeakPolarHBondContact O-CG 3.21Å; T368-E372 PolarHBondContact O-N 2.85Å
369	T	92.8	Very high	91.7	Very high	20 Å²	20	44.2 Å²	44.2	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-42.2	177.3	-58.6	0	0	0	0	112	F365 A366 I373 L520	F365-T369 VanDerWaalsContact O-CB 3.28Å; F365-T369 WeakPolarHBondContact O-CB 3.26Å; F365-T369 PolarHBondContact O-N 2.77Å; F365-T369 PolarHBondContact O-OG1 3.25Å; A366-T369 PolarHBondContact O-N 2.88Å; T369-I373 HydrophobicContact CG2-CD1 3.9Å; T369-I373 VanDerWaalsContact O-CG1 3.25Å; T369-I373 WeakPolarHBondContact O-CG1 3.24Å; T369-I373 WeakPolarHBondContact O-CG2 3.29Å; T369-I373 PolarHBondContact O-N 2.92Å; T369-L520 HydrophobicContact CG2-CD2 3.88Å
370	I	93.9	Very high	91.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-40.7	178.5	-69.7	165.5	0	0	0	111.8	W357 A366 T368 E372 V374 V375 I407 I411 L520	W357-I370 HydrophobicContact CH2-CB 4.3Å; W357-I370 HydrophobicContact CH2-CG2 3.79Å; W357-I370 HydrophobicContact CZ2-CG2 4.38Å; A366-I370 VanDerWaalsContact O-CB 3.29Å; A366-I370 WeakPolarHBondContact O-CB 2.95Å; A366-I370 WeakPolarHBondContact O-CD1 3.33Å; A366-I370 WeakPolarHBondContact O-CG1 3.39Å; A366-I370 PolarHBondContact O-N 3.41Å; T368-I370 VanDerWaalsContact C-N 3.29Å; T368-I370 PolarHBondContact O-N 2.82Å; I370-E372 VanDerWaalsContact C-N 3.32Å; I370-E372 PolarHBondContact O-N 2.9Å; I370-V374 HydrophobicContact CG2-CB 4.35Å; I370-V374 HydrophobicContact CG2-CG2 4.37Å; I370-V374 WeakPolarHBondContact O-CA 3.39Å; I370-V374 VanDerWaalsContact O-CB 3.29Å; I370-V374 WeakPolarHBondContact O-CB 3.28Å; I370-V374 PolarHBondContact O-N 3.13Å; I370-V375 HydrophobicContact CG2-CG2 4.45Å; I370-V375 PolarHBondContact O-N 2.83Å; I370-I407 HydrophobicContact CD1-CG2 3.54Å; I370-I411 HydrophobicContact CD1-CD1 4.38Å; I370-I411 HydrophobicContact CG2-CD1 3.71Å; I370-I411 HydrophobicContact CG2-CG1 3.46Å; I370-I411 VanDerWaalsContact CG2-CG1 3.46Å; I370-L520 HydrophobicContact CD1-CD1 3.67Å; I370-L520 HydrophobicContact CG1-CD1 3.44Å; I370-L520 VanDerWaalsContact CG1-CD1 3.44Å
371	K	93.7	Very high	91.4	Very high	64 Å²	64	48.9 Å²	48.9	28%	0.278	24%	0.237	S	C	.	.	I	π-helix	trans	-58.1	-46.5	174.3	-76.1	169.5	-179.6	-177.5	0	111.1	W357 K367 T368 V375 W376	W357-K371 VanDerWaalsContact CG-CE 3.43Å; W357-K371 HydrophobicContact CZ2-CG 3.83Å; W357-K371 VanDerWaalsContact NE1-CE 3.27Å; K367-K371 WeakPolarHBondContact O-CB 3.31Å; K367-K371 VanDerWaalsContact O-CG 3.25Å; K367-K371 WeakPolarHBondContact O-CG 3.2Å; K367-K371 PolarHBondContact O-N 2.91Å; T368-K371 PolarHBondContact O-N 2.83Å; T368-K371 VanDerWaalsContact O-N 3.15Å; K371-V375 PolarHBondContact O-N 2.93Å; K371-W376 VanDerWaalsContact O-CG 3.29Å; K371-W376 PolarHBondContact O-N 2.55Å
372	E	92.6	Very high	91.2	Very high	93 Å²	93	52.7 Å²	52.7	44%	0.435	26%	0.255	S	S	.	.	I	π-helix	trans	-67	-48.6	-179.4	-72	176.8	-178.2	0	0	113.6	T368 I370 W376 P377	T368-E372 WeakPolarHBondContact O-CG 3.21Å; T368-E372 PolarHBondContact O-N 2.85Å; I370-E372 VanDerWaalsContact C-N 3.32Å; I370-E372 PolarHBondContact O-N 2.9Å; E372-W376 HydrophobicContact CB-CE3 4.47Å; E372-W376 HydrophobicContact CB-CZ3 4.41Å; E372-W376 HydrophobicContact CG-CE3 4.17Å; E372-W376 HydrophobicContact CG-CH2 4Å; E372-W376 HydrophobicContact CG-CZ3 3.65Å; E372-P377 VanDerWaalsContact O-CD 3.29Å; E372-P377 WeakPolarHBondContact O-CD 3.21Å
373	I	90.6	Very high	91.2	Very high	34 Å²	34	56.2 Å²	56.2	17%	0.174	27%	0.271	C	S	.	.	I	π-helix	trans	-93.7	-16.5	-171.2	79.9	-168.5	0	0	0	114.3	T369 P391 K518	T369-I373 HydrophobicContact CG2-CD1 3.9Å; T369-I373 VanDerWaalsContact O-CG1 3.25Å; T369-I373 WeakPolarHBondContact O-CG1 3.24Å; T369-I373 WeakPolarHBondContact O-CG2 3.29Å; T369-I373 PolarHBondContact O-N 2.92Å; I373-P391 HydrophobicContact CD1-CG 4.35Å; I373-P391 HydrophobicContact CG1-CG 4.18Å; I373-P391 WeakPolarHBondContact O-CD 3.12Å; I373-K518 HydrophobicContact CD1-CB 4.2Å; I373-K518 HydrophobicContact CD1-CD 4.13Å; I373-K518 HydrophobicContact CD1-CG 3.92Å
374	V	91.6	Very high	91.1	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-118.6	-62.1	-177.7	-174.1	0	0	0	0	111.3	I370 P377 M378 I394 I411 L497	I370-V374 HydrophobicContact CG2-CB 4.35Å; I370-V374 HydrophobicContact CG2-CG2 4.37Å; I370-V374 WeakPolarHBondContact O-CA 3.39Å; I370-V374 VanDerWaalsContact O-CB 3.29Å; I370-V374 WeakPolarHBondContact O-CB 3.28Å; I370-V374 PolarHBondContact O-N 3.13Å; V374-P377 WeakPolarHBondContact O-CD 3.37Å; V374-M378 HydrophobicContact CG1-SD 3.67Å; V374-M378 WeakPolarHBondContact O-CB 3.4Å; V374-M378 VanDerWaalsContact O-CG 3.29Å; V374-M378 WeakPolarHBondContact O-CG 3.05Å; V374-M378 PolarHBondContact O-N 3.02Å; V374-I394 HydrophobicContact CG2-CD1 4.48Å; V374-I411 HydrophobicContact CG1-CG2 3.72Å; V374-L497 HydrophobicContact CG1-CD1 4.49Å; V374-L497 HydrophobicContact CG1-CD2 3.49Å; V374-L497 VanDerWaalsContact CG1-CD2 3.49Å
375	V	92.1	Very high	90.7	Very high	6 Å²	6	56 Å²	56	4%	0.036	28%	0.275	C	S	.	.	I	π-helix	trans	-69.6	-47.7	-166.4	-175	0	0	0	0	111.6	W357 I370 K371 M378 L379 Q414	W357-V375 HydrophobicContact CZ2-CG2 4.08Å; I370-V375 HydrophobicContact CG2-CG2 4.45Å; I370-V375 PolarHBondContact O-N 2.83Å; K371-V375 PolarHBondContact O-N 2.93Å; V375-M378 PolarHBondContact O-N 2.76Å; V375-L379 HydrophobicContact CG1-CD1 3.74Å; V375-L379 HydrophobicContact CG1-CG 4.18Å; V375-L379 WeakPolarHBondContact O-CB 3.38Å; V375-L379 VanDerWaalsContact O-CG 3.32Å; V375-L379 WeakPolarHBondContact O-CG 3.41Å; V375-L379 PolarHBondContact O-N 3.03Å; V375-Q414 HydrophobicContact CG1-CB 4.25Å; V375-Q414 WeakPolarHBondContact CG1-O 3.34Å
376	W	92.6	Very high	90.4	Very high	128 Å²	128	54 Å²	54	49%	0.485	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-42.3	178.5	-59	-16.3	0	0	0	112.9	K371 E372 M378 L379 R380 F384	K371-W376 VanDerWaalsContact O-CG 3.29Å; K371-W376 PolarHBondContact O-N 2.55Å; E372-W376 HydrophobicContact CB-CE3 4.47Å; E372-W376 HydrophobicContact CB-CZ3 4.41Å; E372-W376 HydrophobicContact CG-CE3 4.17Å; E372-W376 HydrophobicContact CG-CH2 4Å; E372-W376 HydrophobicContact CG-CZ3 3.65Å; W376-M378 PolarHBondContact O-N 2.9Å; W376-L379 PolarHBondContact O-N 3.13Å; W376-R380 PolarHBondContact O-N 3.02Å; W376-F384 HydrophobicContact CB-CE2 3.75Å; W376-F384 HydrophobicContact CB-CZ 3.87Å
377	P	90.5	Very high	90	Very high	4 Å²	4	63 Å²	63	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-36.2	170.7	-26.9	33.7	0	0	0	115.2	E372 V374 P381 F384 P390	E372-P377 VanDerWaalsContact O-CD 3.29Å; E372-P377 WeakPolarHBondContact O-CD 3.21Å; V374-P377 WeakPolarHBondContact O-CD 3.37Å; P377-P381 WeakPolarHBondContact O-CA 3.4Å; P377-F384 HydrophobicContact CB-CB 3.7Å; P377-F384 HydrophobicContact CB-CD1 4.28Å; P377-F384 HydrophobicContact CB-CD2 4.4Å; P377-F384 HydrophobicContact CB-CG 3.89Å; P377-F384 HydrophobicContact CG-CB 4.08Å; P377-F384 HydrophobicContact CG-CD1 3.68Å; P377-F384 HydrophobicContact CG-CD2 4.31Å; P377-F384 HydrophobicContact CG-CE1 4.14Å; P377-F384 HydrophobicContact CG-CG 3.77Å; P377-P390 HydrophobicContact CB-CB 3.95Å; P377-P390 HydrophobicContact CB-CG 4.14Å
378	M	88.3	Confident	89.6	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-73.4	-35	177.3	-71.3	179.6	73.4	0	0	112.6	V374 V375 W376 A417 P451 V453	V374-M378 HydrophobicContact CG1-SD 3.67Å; V374-M378 WeakPolarHBondContact O-CB 3.4Å; V374-M378 VanDerWaalsContact O-CG 3.29Å; V374-M378 WeakPolarHBondContact O-CG 3.05Å; V374-M378 PolarHBondContact O-N 3.02Å; V375-M378 PolarHBondContact O-N 2.76Å; W376-M378 PolarHBondContact O-N 2.9Å; M378-A417 HydrophobicContact CE-CB 3.68Å; M378-P451 HydrophobicContact CE-CB 3.91Å; M378-V453 HydrophobicContact CE-CG2 4.19Å
379	L	89.1	Confident	89.1	Confident	93 Å²	93	68.5 Å²	68.5	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-78.6	-30.8	176.2	-68.2	177	0	0	0	113.7	V375 W376 P381	V375-L379 HydrophobicContact CG1-CD1 3.74Å; V375-L379 HydrophobicContact CG1-CG 4.18Å; V375-L379 WeakPolarHBondContact O-CB 3.38Å; V375-L379 VanDerWaalsContact O-CG 3.32Å; V375-L379 WeakPolarHBondContact O-CG 3.41Å; V375-L379 PolarHBondContact O-N 3.03Å; W376-L379 PolarHBondContact O-N 3.13Å; L379-P381 VanDerWaalsContact C-CD 3.48Å
380	R	89.1	Confident	88.9	Confident	124 Å²	124	69.7 Å²	69.7	47%	0.468	36%	0.364	S	S	.	.			trans	-131.3	61.1	-176.8	-67.1	-60.4	-59.7	-95.7	2	113	W376 D382 I383 F384	W376-R380 PolarHBondContact O-N 3.02Å; R380-D382 VanDerWaalsContact C-OD1 3.22Å; R380-D382 VanDerWaalsContact CA-OD1 3.29Å; R380-D382 WeakPolarHBondContact CA-OD1 3.42Å; R380-D382 WeakPolarHBondContact CB-OD1 3.49Å; R380-D382 IonicContact CZ-OD1 3.27Å; R380-D382 IonicContact CZ-OD2 3.68Å; R380-D382 IonicContact NE-OD1 3.71Å; R380-D382 PolarHBondContact NE-OD1 3.41Å; R380-D382 IonicContact NE-OD2 3.6Å; R380-D382 PolarHBondContact NE-OD2 3.02Å; R380-D382 IonicContact NH2-OD1 3.71Å; R380-D382 IonicContact NH2-OD2 2.74Å; R380-D382 PolarHBondContact NH2-OD2 3.02Å; R380-D382 PolarHBondContact O-N 3.31Å; R380-I383 HydrophobicContact CB-CD1 4.36Å; R380-I383 PolarHBondContact O-N 3.32Å; R380-F384 HydrophobicContact CB-CD2 4.28Å; R380-F384 WeakPolarHBondContact O-CD2 3.22Å; R380-F384 PolarHBondContact O-N 2.92Å
381	P	87.6	Confident	88.6	Confident	63 Å²	63	70.9 Å²	70.9	41%	0.409	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.6	178.9	27.8	-36.3	0	0	0	113.4	P377 L379 T385	P377-P381 WeakPolarHBondContact O-CA 3.4Å; L379-P381 VanDerWaalsContact C-CD 3.48Å; P381-T385 VanDerWaalsContact O-CG2 3.24Å; P381-T385 WeakPolarHBondContact O-CG2 3.45Å
382	D	89.6	Confident	88.4	Confident	97 Å²	97	70.2 Å²	70.2	52%	0.519	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.6	172.7	63.8	-56.2	0	0	0	113.6	R380	R380-D382 VanDerWaalsContact C-OD1 3.22Å; R380-D382 VanDerWaalsContact CA-OD1 3.29Å; R380-D382 WeakPolarHBondContact CA-OD1 3.42Å; R380-D382 WeakPolarHBondContact CB-OD1 3.49Å; R380-D382 IonicContact CZ-OD1 3.27Å; R380-D382 IonicContact CZ-OD2 3.68Å; R380-D382 IonicContact NE-OD1 3.71Å; R380-D382 PolarHBondContact NE-OD1 3.41Å; R380-D382 IonicContact NE-OD2 3.6Å; R380-D382 PolarHBondContact NE-OD2 3.02Å; R380-D382 IonicContact NH2-OD1 3.71Å; R380-D382 IonicContact NH2-OD2 2.74Å; R380-D382 PolarHBondContact NH2-OD2 3.02Å; R380-D382 PolarHBondContact O-N 3.31Å
383	I	90	Very high	88.4	Confident	81 Å²	81	65.8 Å²	65.8	42%	0.415	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-38.3	176.9	-62.1	175.2	0	0	0	110.8	R380 T385	R380-I383 HydrophobicContact CB-CD1 4.36Å; R380-I383 PolarHBondContact O-N 3.32Å; I383-T385 VanDerWaalsContact C-N 3.32Å; I383-T385 PolarHBondContact O-N 3.23Å
384	F	87.7	Confident	88.6	Confident	52 Å²	52	64.2 Å²	64.2	23%	0.228	34%	0.34	C	S	.	.	S	Bend	trans	-94.2	54.3	-172.5	-70.1	-83.9	0	0	0	112.1	W376 P377 R380 R388 G389	W376-F384 HydrophobicContact CB-CE2 3.75Å; W376-F384 HydrophobicContact CB-CZ 3.87Å; P377-F384 HydrophobicContact CB-CB 3.7Å; P377-F384 HydrophobicContact CB-CD1 4.28Å; P377-F384 HydrophobicContact CB-CD2 4.4Å; P377-F384 HydrophobicContact CB-CG 3.89Å; P377-F384 HydrophobicContact CG-CB 4.08Å; P377-F384 HydrophobicContact CG-CD1 3.68Å; P377-F384 HydrophobicContact CG-CD2 4.31Å; P377-F384 HydrophobicContact CG-CE1 4.14Å; P377-F384 HydrophobicContact CG-CG 3.77Å; R380-F384 HydrophobicContact CB-CD2 4.28Å; R380-F384 WeakPolarHBondContact O-CD2 3.22Å; R380-F384 PolarHBondContact O-N 2.92Å; F384-R388 HydrophobicContact CB-CB 4.45Å; F384-R388 WeakPolarHBondContact CB-O 3.44Å; F384-R388 HydrophobicContact CD1-CB 4.2Å; F384-R388 WeakPolarHBondContact CD1-O 3.39Å; F384-R388 CarbonylContact O-C 3.57Å; F384-G389 VanDerWaalsContact O-CA 3.26Å; F384-G389 WeakPolarHBondContact O-CA 3.46Å; F384-G389 PolarHBondContact O-N 3.13Å
385	T	84.2	Confident	88.8	Confident	87 Å²	87	64.2 Å²	64.2	53%	0.534	34%	0.34	S	S	.	.			trans	-86.6	154.2	-178.4	54.3	0	0	0	0	113.3	P381 I383 L387 R388	P381-T385 VanDerWaalsContact O-CG2 3.24Å; P381-T385 WeakPolarHBondContact O-CG2 3.45Å; I383-T385 VanDerWaalsContact C-N 3.32Å; I383-T385 PolarHBondContact O-N 3.23Å; T385-L387 PolarHBondContact O-N 2.83Å; T385-R388 WeakPolarHBondContact O-CB 3.42Å; T385-R388 PolarHBondContact O-N 2.78Å
386	G	83.9	Confident	89	Confident	75 Å²	75	64 Å²	64	77%	0.773	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	57.6	-123.2	174.3	0	0	0	0	0	113.1	R388 G389	G386-R388 PolarHBondContact O-N 3.27Å; G386-G389 PolarHBondContact O-N 3.33Å
387	L	83.8	Confident	89.2	Confident	192 Å²	192	57.9 Å²	57.9	100%	1.005	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-63.5	-8.9	178.8	-62.8	178.4	0	0	0	114.4	T385	T385-L387 PolarHBondContact O-N 2.83Å
388	R	85.1	Confident	89.5	Confident	176 Å²	176	57.7 Å²	57.7	66%	0.664	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-96	-2	174.2	-62.4	-179.3	177.7	172.3	-1.2	113.6	F384 T385 G386	F384-R388 HydrophobicContact CB-CB 4.45Å; F384-R388 WeakPolarHBondContact CB-O 3.44Å; F384-R388 HydrophobicContact CD1-CB 4.2Å; F384-R388 WeakPolarHBondContact CD1-O 3.39Å; F384-R388 CarbonylContact O-C 3.57Å; T385-R388 WeakPolarHBondContact O-CB 3.42Å; T385-R388 PolarHBondContact O-N 2.78Å; G386-R388 PolarHBondContact O-N 3.27Å
389	G	82.9	Confident	89.8	Confident	31 Å²	31	56.9 Å²	56.9	32%	0.32	31%	0.31	S	S	.	.	S	Bend	trans	-62.7	161.6	178.5	0	0	0	0	0	113.2	F384 G386	F384-G389 VanDerWaalsContact O-CA 3.26Å; F384-G389 WeakPolarHBondContact O-CA 3.46Å; F384-G389 PolarHBondContact O-N 3.13Å; G386-G389 PolarHBondContact O-N 3.33Å
390	P	87.7	Confident	90	Very high	45 Å²	45	55.2 Å²	55.2	29%	0.292	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-64.1	148.9	-179.7	26.3	-31.5	0	0	0	111.5	P377 K392	P377-P390 HydrophobicContact CB-CB 3.95Å; P377-P390 HydrophobicContact CB-CG 4.14Å; P390-K392 PolarHBondContact O-N 2.96Å
391	P	88.9	Confident	90.1	Very high	26 Å²	26	50.8 Å²	50.8	17%	0.169	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-65	128.1	170.6	29.8	-32.2	0	0	0	108.8	I373 G393 I394 L497 K518	I373-P391 HydrophobicContact CD1-CG 4.35Å; I373-P391 HydrophobicContact CG1-CG 4.18Å; I373-P391 WeakPolarHBondContact O-CD 3.12Å; P391-G393 PolarHBondContact O-N 3.17Å; P391-I394 HydrophobicContact CB-CG2 4.24Å; P391-I394 HydrophobicContact CG-CG2 3.7Å; P391-L497 WeakPolarHBondContact O-CD1 3.39Å; P391-K518 HydrophobicContact CB-CG 4.3Å; P391-K518 HydrophobicContact CG-CG 4.36Å
392	K	87.8	Confident	90.4	Very high	49 Å²	49	48.3 Å²	48.3	21%	0.213	28%	0.282	C	S	.	.	S	Bend	trans	-68.7	-18.9	-178.3	-59.9	-86.3	-171.1	158.7	0	112.8	P390 A488 A489 A491 D494 V498	P390-K392 PolarHBondContact O-N 2.96Å; K392-A488 WeakPolarHBondContact CD-O 3.42Å; K392-A488 WeakPolarHBondContact CE-O 3.36Å; K392-A488 PolarHBondContact NZ-O 2.87Å; K392-A489 HydrophobicContact CB-CB 4.12Å; K392-A489 HydrophobicContact CD-CB 4.46Å; K392-A489 HydrophobicContact CG-CB 3.89Å; K392-A491 PolarHBondContact NZ-O 3.35Å; K392-D494 PolarHBondContact NZ-O 2.99Å; K392-V498 PolarHBondContact O-N 2.94Å
393	G	93.1	Very high	90.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.8	176.1	0	0	0	0	0	113	P391 V498 A517	P391-G393 PolarHBondContact O-N 3.17Å; G393-V498 CarbonylContact C-O 3.56Å; G393-V498 WeakPolarHBondContact CA-O 3.48Å; G393-A517 PolarHBondContact O-N 3.22Å
394	I	95.1	Very high	90.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.4	171.5	70.7	175.4	0	0	0	110.9	V374 P391 I411 L497 V498 V499 G500 K518	V374-I394 HydrophobicContact CG2-CD1 4.48Å; P391-I394 HydrophobicContact CB-CG2 4.24Å; P391-I394 HydrophobicContact CG-CG2 3.7Å; I394-I411 HydrophobicContact CD1-CD1 4Å; I394-L497 HydrophobicContact CG1-CD1 4.45Å; I394-L497 HydrophobicContact CG2-CD1 4.22Å; I394-V498 PolarHBondContact N-O 3.43Å; I394-V499 HydrophobicContact CD1-CG1 4.14Å; I394-V499 HydrophobicContact CD1-CG2 3.97Å; I394-V499 HydrophobicContact CG1-CB 4.2Å; I394-V499 HydrophobicContact CG1-CG1 4.02Å; I394-V499 HydrophobicContact CG1-CG2 3.92Å; I394-G500 PolarHBondContact O-N 3.35Å; I394-K518 CarbonylContact C-O 3.55Å; I394-K518 VanDerWaalsContact CA-O 3.29Å; I394-K518 WeakPolarHBondContact CA-O 3.32Å; I394-K518 HydrophobicContact CG2-CB 4.11Å
395	L	96.5	Very high	91	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.4	173.7	-175.1	72.5	0	0	0	110.6	I459 G500 T502 L516 K518 R519 L520 W623	L395-I459 HydrophobicContact CD1-CG2 3.8Å; L395-G500 CarbonylContact C-O 3.51Å; L395-G500 WeakPolarHBondContact CA-O 3.43Å; L395-T502 HydrophobicContact CD1-CG2 3.84Å; L395-T502 HydrophobicContact CD2-CG2 4.16Å; L395-T502 HydrophobicContact CG-CG2 4.17Å; L395-L516 HydrophobicContact CB-CB 4.11Å; L395-L516 HydrophobicContact CB-CD1 4.1Å; L395-L516 HydrophobicContact CD1-CD1 3.84Å; L395-L516 HydrophobicContact CG-CD1 4.45Å; L395-K518 PolarHBondContact N-O 2.96Å; L395-R519 HydrophobicContact CB-CB 4.04Å; L395-R519 HydrophobicContact CB-CG 3.83Å; L395-R519 HydrophobicContact CD2-CB 4.34Å; L395-R519 HydrophobicContact CD2-CG 4.08Å; L395-R519 CarbonylContact O-C 3.49Å; L395-R519 VanDerWaalsContact O-CA 3.28Å; L395-R519 WeakPolarHBondContact O-CA 3.46Å; L395-L520 PolarHBondContact O-N 2.96Å; L395-W623 HydrophobicContact CD2-CH2 3.98Å
396	L	96.8	Very high	91.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122	167.8	-55.1	-177.6	0	0	0	108.2	K404 I407 V499 G500 A501 T502 L520 V522	L396-K404 HydrophobicContact CB-CB 4.29Å; L396-K404 HydrophobicContact CB-CD 4.23Å; L396-K404 HydrophobicContact CB-CG 4.23Å; L396-K404 HydrophobicContact CD1-CB 4.5Å; L396-K404 WeakPolarHBondContact CD1-O 3.37Å; L396-I407 HydrophobicContact CD1-CB 3.95Å; L396-I407 HydrophobicContact CD1-CG2 3.82Å; L396-V499 HydrophobicContact CD1-CG1 3.86Å; L396-V499 HydrophobicContact CG-CG1 4.06Å; L396-G500 PolarHBondContact N-O 2.95Å; L396-A501 WeakPolarHBondContact O-CA 3.32Å; L396-T502 PolarHBondContact O-N 2.82Å; L396-L520 HydrophobicContact CD2-CB 4.08Å; L396-L520 HydrophobicContact CD2-CD1 4.2Å; L396-V522 HydrophobicContact CB-CG2 4.26Å
397	F	96.4	Very high	92	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.1	-178.7	71.8	-86.8	0	0	0	111.8	T502 P505 R519 L520 Y521 V522 W623 N624	F397-T502 HydrophobicContact CB-CG2 3.55Å; F397-P505 HydrophobicContact CB-CB 3.84Å; F397-P505 HydrophobicContact CB-CG 4.05Å; F397-P505 HydrophobicContact CD2-CB 4.2Å; F397-P505 HydrophobicContact CD2-CG 3.85Å; F397-P505 HydrophobicContact CG-CB 4.08Å; F397-P505 HydrophobicContact CG-CG 4.19Å; F397-R519 HydrophobicContact CD1-CB 4.04Å; F397-R519 HydrophobicContact CE1-CB 3.83Å; F397-L520 VanDerWaalsContact CD1-O 3.27Å; F397-L520 WeakPolarHBondContact CD1-O 3.43Å; F397-L520 PolarHBondContact N-O 3.47Å; F397-Y521 HydrophobicContact CD2-CD2 4.1Å; F397-Y521 AromaticContact CE2-CD2 3.82Å; F397-Y521 HydrophobicContact CE2-CD2 3.82Å; F397-Y521 HydrophobicContact CE2-CG 4.05Å; F397-Y521 HydrophobicContact CZ-CG 4.34Å; F397-Y521 CarbonylContact O-C 3.53Å; F397-Y521 WeakPolarHBondContact O-CA 3.28Å; F397-V522 PolarHBondContact O-N 2.93Å; F397-W623 HydrophobicContact CD1-CE3 4.25Å; F397-W623 AromaticContact CD1-CZ3 3.78Å; F397-W623 HydrophobicContact CD1-CZ3 3.78Å; F397-W623 HydrophobicContact CD2-CE3 4.08Å; F397-W623 HydrophobicContact CD2-CZ3 4.41Å; F397-W623 AromaticContact CE1-CE3 3.87Å; F397-W623 HydrophobicContact CE1-CE3 3.87Å; F397-W623 AromaticContact CE1-CZ3 3.51Å; F397-W623 HydrophobicContact CE1-CZ3 3.51Å; F397-W623 AromaticContact CE2-CE3 3.68Å; F397-W623 HydrophobicContact CE2-CE3 3.68Å; F397-W623 HydrophobicContact CE2-CZ3 4.18Å; F397-W623 HydrophobicContact CG-CE3 4.35Å; F397-W623 HydrophobicContact CG-CZ3 4.22Å; F397-W623 AromaticContact CZ-CE3 3.56Å; F397-W623 HydrophobicContact CZ-CE3 3.56Å; F397-W623 AromaticContact CZ-CZ3 3.73Å; F397-W623 HydrophobicContact CZ-CZ3 3.73Å; F397-N624 HydrophobicContact CE2-CB 3.98Å; F397-N624 HydrophobicContact CZ-CB 3.74Å
398	G	95.4	Very high	92.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	136.7	-178	-175.2	0	0	0	0	0	110.7	K404	G398-K404 PolarHBondContact O-NZ 2.92Å
399	P	95.2	Very high	93	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-62.3	162.7	-176.4	18.1	-24.6	0	0	0	113.8	T402 K404 L524 V612 L617 Y620	P399-T402 HydrophobicContact CB-CG2 4.43Å; P399-T402 HydrophobicContact CG-CG2 3.8Å; P399-T402 PolarHBondContact O-OG1 3.46Å; P399-K404 PolarHBondContact O-NZ 3.24Å; P399-L524 HydrophobicContact CB-CD2 4.47Å; P399-L524 HydrophobicContact CG-CD2 3.95Å; P399-L524 HydrophobicContact CG-CG 4.11Å; P399-V612 HydrophobicContact CB-CG1 3.83Å; P399-V612 HydrophobicContact CB-CG2 3.82Å; P399-V612 HydrophobicContact CG-CG1 4.4Å; P399-L617 HydrophobicContact CG-CD2 4.02Å; P399-Y620 HydrophobicContact CB-CE2 3.85Å; P399-Y620 HydrophobicContact CG-CD2 4.36Å; P399-Y620 HydrophobicContact CG-CE2 4.16Å
400	P	93.4	Very high	93.5	Very high	58 Å²	58	21.2 Å²	21.2	38%	0.377	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	158.6	172.7	27.9	-35.5	0	0	0	111.3	T402 V612	P400-T402 VanDerWaalsContact C-N 3.25Å; P400-T402 PolarHBondContact O-N 2.96Å; P400-V612 HydrophobicContact CG-CG2 4.39Å
401	G	91.6	Very high	93.8	Very high	32 Å²	32	19 Å²	19	33%	0.33	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	2.1	175.1	0	0	0	0	0	116.6	G403 G562 A563	G401-G403 VanDerWaalsContact C-N 3.32Å; G401-G403 PolarHBondContact O-N 3.01Å; G401-G562 CarbonylContact O-C 3.59Å; G401-G562 VanDerWaalsContact O-CA 3.27Å; G401-G562 WeakPolarHBondContact O-CA 3.48Å; G401-G562 PolarHBondContact O-N 2.87Å; G401-G562 VanDerWaalsContact O-N 3.08Å; G401-A563 PolarHBondContact O-N 3.02Å
402	T	93.6	Very high	94.1	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.067	11%	0.108	C	C	.	.	S	Bend	trans	-85.6	8.1	-180	62.8	0	0	0	0	115.3	P399 P400 V522 P523 L524	P399-T402 HydrophobicContact CB-CG2 4.43Å; P399-T402 HydrophobicContact CG-CG2 3.8Å; P399-T402 PolarHBondContact O-OG1 3.46Å; P400-T402 VanDerWaalsContact C-N 3.25Å; P400-T402 PolarHBondContact O-N 2.96Å; T402-V522 WeakPolarHBondContact CB-O 3.43Å; T402-V522 WeakPolarHBondContact O-CG1 3.35Å; T402-V522 WeakPolarHBondContact OG1-CG1 3.39Å; T402-V522 PolarHBondContact OG1-O 3.22Å; T402-P523 WeakPolarHBondContact CB-O 3.15Å; T402-P523 VanDerWaalsContact CG2-O 3.27Å; T402-P523 WeakPolarHBondContact CG2-O 3.26Å; T402-L524 HydrophobicContact CG2-CD2 4.11Å
403	G	92	Very high	94.3	Very high	22 Å²	22	18 Å²	18	23%	0.227	12%	0.115	C	C	.	.			trans	87.1	15.2	172.4	0	0	0	0	0	116.2	G401 T405 L406 I407	G401-G403 VanDerWaalsContact C-N 3.32Å; G401-G403 PolarHBondContact O-N 3.01Å; G403-T405 PolarHBondContact O-N 3.25Å; G403-T405 VanDerWaalsContact O-N 3.15Å; G403-L406 WeakPolarHBondContact O-CA 3.4Å; G403-L406 WeakPolarHBondContact O-CB 3.36Å; G403-L406 PolarHBondContact O-N 3.38Å; G403-I407 PolarHBondContact O-N 2.76Å
404	K	95.2	Very high	94.3	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.043	13%	0.13	C	C	.	.	H	α-helix	trans	-45.2	-45.9	175.8	-62.9	-170.6	-72.4	-93	0	113.3	L396 G398 P399 I407 G408 A501 T502 N503 V522	L396-K404 HydrophobicContact CB-CB 4.29Å; L396-K404 HydrophobicContact CB-CD 4.23Å; L396-K404 HydrophobicContact CB-CG 4.23Å; L396-K404 HydrophobicContact CD1-CB 4.5Å; L396-K404 WeakPolarHBondContact CD1-O 3.37Å; G398-K404 PolarHBondContact O-NZ 2.92Å; P399-K404 PolarHBondContact O-NZ 3.24Å; K404-I407 PolarHBondContact O-N 2.95Å; K404-G408 PolarHBondContact O-N 2.76Å; K404-G408 VanDerWaalsContact O-N 3.11Å; K404-A501 HydrophobicContact CB-CB 4.16Å; K404-A501 HydrophobicContact CD-CB 4.41Å; K404-T502 WeakPolarHBondContact CE-O 3.32Å; K404-T502 PolarHBondContact NZ-O 3.26Å; K404-N503 PolarHBondContact NZ-OD1 2.77Å; K404-V522 HydrophobicContact CG-CB 4.1Å; K404-V522 HydrophobicContact CG-CG1 4.28Å; K404-V522 HydrophobicContact CG-CG2 4.12Å
405	T	93.6	Very high	94.1	Very high	50 Å²	50	21.5 Å²	21.5	31%	0.307	13%	0.132	S	C	.	.	H	α-helix	trans	-68.4	-33.4	178.1	-33.7	0	0	0	0	113.3	G403 G408 K409 F455 D457	G403-T405 PolarHBondContact O-N 3.25Å; G403-T405 VanDerWaalsContact O-N 3.15Å; T405-G408 PolarHBondContact O-N 3.01Å; T405-K409 PolarHBondContact O-N 3.46Å; T405-F455 HydrophobicContact CG2-CD1 4.39Å; T405-F455 HydrophobicContact CG2-CE1 3.71Å; T405-F455 HydrophobicContact CG2-CZ 3.94Å; T405-D457 PolarHBondContact OG1-OD2 3.22Å; T405-D457 VanDerWaalsContact OG1-OD2 3.07Å
406	L	93.8	Very high	93.8	Very high	86 Å²	86	24.5 Å²	24.5	45%	0.45	16%	0.162	S	C	.	.	H	α-helix	trans	-69.7	-38.8	174.5	-65.8	173.4	0	0	0	111.5	I360 G403 G408 K409 C410	I360-L406 HydrophobicContact CG1-CB 4.49Å; G403-L406 WeakPolarHBondContact O-CA 3.4Å; G403-L406 WeakPolarHBondContact O-CB 3.36Å; G403-L406 PolarHBondContact O-N 3.38Å; L406-G408 VanDerWaalsContact C-N 3.33Å; L406-K409 PolarHBondContact O-N 3.43Å; L406-C410 VanDerWaalsContact O-CB 3.24Å; L406-C410 WeakPolarHBondContact O-CB 3.38Å; L406-C410 PolarHBondContact O-N 2.9Å
407	I	94.9	Very high	93.6	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-45	172.6	-61.7	165.1	0	0	0	109.8	I360 L363 I370 L396 G403 K404 C410 I411 V522	I360-I407 HydrophobicContact CD1-CG1 4.05Å; L363-I407 HydrophobicContact CD1-CD1 4.01Å; I370-I407 HydrophobicContact CD1-CG2 3.54Å; L396-I407 HydrophobicContact CD1-CB 3.95Å; L396-I407 HydrophobicContact CD1-CG2 3.82Å; G403-I407 PolarHBondContact O-N 2.76Å; K404-I407 PolarHBondContact O-N 2.95Å; I407-C410 PolarHBondContact O-N 3.45Å; I407-I411 HydrophobicContact CG2-CD1 4.06Å; I407-I411 VanDerWaalsContact O-CG1 3.28Å; I407-I411 WeakPolarHBondContact O-CG1 3.2Å; I407-I411 PolarHBondContact O-N 3.22Å; I407-V522 HydrophobicContact CD1-CG1 3.83Å; I407-V522 HydrophobicContact CD1-CG2 4.03Å
408	G	93.9	Very high	93.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-53.2	174.6	0	0	0	0	0	113.1	K404 T405 L406 C410 I411 A412 F419	K404-G408 PolarHBondContact O-N 2.76Å; K404-G408 VanDerWaalsContact O-N 3.11Å; T405-G408 PolarHBondContact O-N 3.01Å; L406-G408 VanDerWaalsContact C-N 3.33Å; G408-C410 PolarHBondContact O-N 3.35Å; G408-I411 PolarHBondContact O-N 3.45Å; G408-A412 PolarHBondContact O-N 3Å; G408-F419 VanDerWaalsContact O-CE2 3.24Å; G408-F419 WeakPolarHBondContact O-CE2 3.49Å
409	K	94.4	Very high	93.6	Very high	48 Å²	48	27.6 Å²	27.6	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-47.7	176.1	-74.9	172.5	175	-84.5	0	111.8	D350 V355 T405 L406 I411 A412 C413 F419	D350-K409 IonicContact OD1-NZ 2.7Å; D350-K409 PolarHBondContact OD1-NZ 3.07Å; D350-K409 VanDerWaalsContact OD1-NZ 3.16Å; D350-K409 IonicContact OD2-NZ 3.22Å; D350-K409 PolarHBondContact OD2-NZ 3.33Å; V355-K409 HydrophobicContact CB-CB 4.4Å; V355-K409 HydrophobicContact CG2-CB 3.92Å; V355-K409 HydrophobicContact CG2-CD 4.45Å; T405-K409 PolarHBondContact O-N 3.46Å; L406-K409 PolarHBondContact O-N 3.43Å; K409-I411 VanDerWaalsContact C-N 3.34Å; K409-I411 PolarHBondContact O-N 2.86Å; K409-A412 PolarHBondContact O-N 2.73Å; K409-A412 VanDerWaalsContact O-N 3.13Å; K409-C413 PolarHBondContact O-N 3.12Å; K409-C413 PolarHBondContact O-SG 3.41Å; K409-F419 HydrophobicContact CB-CE1 4.37Å; K409-F419 HydrophobicContact CB-CZ 4.45Å; K409-F419 HydrophobicContact CD-CE1 4.38Å; K409-F419 HydrophobicContact CG-CD1 3.81Å; K409-F419 HydrophobicContact CG-CE1 3.33Å; K409-F419 HydrophobicContact CG-CZ 3.73Å
410	C	94.9	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-40	179.9	-172.4	0	0	0	0	112.4	V355 A356 I360 L406 I407 G408 A412 C413 Q414	V355-C410 HydrophobicContact CB-CB 4.23Å; V355-C410 HydrophobicContact CG1-CB 3.94Å; A356-C410 VanDerWaalsContact C-SG 3.59Å; I360-C410 HydrophobicContact CD1-CB 3.67Å; L406-C410 VanDerWaalsContact O-CB 3.24Å; L406-C410 WeakPolarHBondContact O-CB 3.38Å; L406-C410 PolarHBondContact O-N 2.9Å; I407-C410 PolarHBondContact O-N 3.45Å; G408-C410 PolarHBondContact O-N 3.35Å; C410-A412 VanDerWaalsContact C-N 3.31Å; C410-A412 PolarHBondContact O-N 2.89Å; C410-C413 PolarHBondContact O-N 2.7Å; C410-Q414 WeakPolarHBondContact O-CB 3.43Å; C410-Q414 WeakPolarHBondContact O-CG 2.99Å; C410-Q414 PolarHBondContact O-N 2.99Å
411	I	94.4	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.4	-47.6	174.3	-72.9	164	0	0	0	110.8	I370 V374 I394 I407 G408 K409 S415 V453 L497	I370-I411 HydrophobicContact CD1-CD1 4.38Å; I370-I411 HydrophobicContact CG2-CD1 3.71Å; I370-I411 HydrophobicContact CG2-CG1 3.46Å; I370-I411 VanDerWaalsContact CG2-CG1 3.46Å; V374-I411 HydrophobicContact CG1-CG2 3.72Å; I394-I411 HydrophobicContact CD1-CD1 4Å; I407-I411 HydrophobicContact CG2-CD1 4.06Å; I407-I411 VanDerWaalsContact O-CG1 3.28Å; I407-I411 WeakPolarHBondContact O-CG1 3.2Å; I407-I411 PolarHBondContact O-N 3.22Å; G408-I411 PolarHBondContact O-N 3.45Å; K409-I411 VanDerWaalsContact C-N 3.34Å; K409-I411 PolarHBondContact O-N 2.86Å; I411-S415 WeakPolarHBondContact O-CB 3.23Å; I411-S415 PolarHBondContact O-N 2.78Å; I411-S415 PolarHBondContact O-OG 2.9Å; I411-V453 HydrophobicContact CG2-CG2 4.21Å; I411-L497 HydrophobicContact CG2-CD2 3.69Å
412	A	93.6	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-51.2	-178.3	0	0	0	0	0	111.8	G408 K409 C410 Q414 S415 G416 A417 F419 V453	G408-A412 PolarHBondContact O-N 3Å; K409-A412 PolarHBondContact O-N 2.73Å; K409-A412 VanDerWaalsContact O-N 3.13Å; C410-A412 VanDerWaalsContact C-N 3.31Å; C410-A412 PolarHBondContact O-N 2.89Å; A412-Q414 VanDerWaalsContact C-N 3.31Å; A412-Q414 PolarHBondContact O-N 3.02Å; A412-S415 PolarHBondContact O-N 3.11Å; A412-G416 PolarHBondContact O-N 3.21Å; A412-G416 VanDerWaalsContact O-N 3.12Å; A412-A417 PolarHBondContact O-N 3.19Å; A412-F419 HydrophobicContact CB-CB 3.69Å; A412-F419 HydrophobicContact CB-CD2 3.67Å; A412-F419 HydrophobicContact CB-CG 4.05Å; A412-V453 HydrophobicContact CB-CB 4.01Å; A412-V453 HydrophobicContact CB-CG2 3.9Å
413	C	93	Very high	93.8	Very high	52 Å²	52	26.4 Å²	26.4	35%	0.351	17%	0.17	S	C	.	.	H	α-helix	trans	-56.2	-44.3	178	-59.4	0	0	0	0	112.3	P354 V355 K409 C410 S415 G416	P354-C413 HydrophobicContact CB-CB 4.4Å; V355-C413 PolarHBondContact N-SG 3.15Å; K409-C413 PolarHBondContact O-N 3.12Å; K409-C413 PolarHBondContact O-SG 3.41Å; C410-C413 PolarHBondContact O-N 2.7Å; C413-S415 VanDerWaalsContact C-N 3.34Å; C413-G416 PolarHBondContact O-N 3.22Å
414	Q	92.8	Very high	93.7	Very high	71 Å²	71	25.4 Å²	25.4	33%	0.332	16%	0.159	S	C	.	.	H	α-helix	trans	-78	-18.8	-176.6	-61.9	-75.5	-46.8	0	0	113.2	W357 V375 C410 A412	W357-Q414 VanDerWaalsContact CD1-CD 3.49Å; W357-Q414 HydrophobicContact CZ2-CG 4.49Å; V375-Q414 HydrophobicContact CG1-CB 4.25Å; V375-Q414 WeakPolarHBondContact CG1-O 3.34Å; C410-Q414 WeakPolarHBondContact O-CB 3.43Å; C410-Q414 WeakPolarHBondContact O-CG 2.99Å; C410-Q414 PolarHBondContact O-N 2.99Å; A412-Q414 VanDerWaalsContact C-N 3.31Å; A412-Q414 PolarHBondContact O-N 3.02Å
415	S	90.8	Very high	93.3	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.028	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0.1	175.4	-50.7	0	0	0	0	113.3	I411 A412 C413 A417	I411-S415 WeakPolarHBondContact O-CB 3.23Å; I411-S415 PolarHBondContact O-N 2.78Å; I411-S415 PolarHBondContact O-OG 2.9Å; A412-S415 PolarHBondContact O-N 3.11Å; C413-S415 VanDerWaalsContact C-N 3.34Å; S415-A417 VanDerWaalsContact C-N 3.25Å; S415-A417 PolarHBondContact O-N 3.15Å
416	G	90.4	Very high	93.1	Very high	63 Å²	63	28.5 Å²	28.5	65%	0.649	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	30.2	-173.1	0	0	0	0	0	113.5	A412 C413	A412-G416 PolarHBondContact O-N 3.21Å; A412-G416 VanDerWaalsContact O-N 3.12Å; C413-G416 PolarHBondContact O-N 3.22Å
417	A	93.1	Very high	92.8	Very high	15 Å²	15	24.4 Å²	24.4	12%	0.124	16%	0.163	C	C	.	.			trans	-107.5	151.1	-171.9	0	0	0	0	0	112.6	M378 A412 S415 P451 V453	M378-A417 HydrophobicContact CE-CB 3.68Å; A412-A417 PolarHBondContact O-N 3.19Å; S415-A417 VanDerWaalsContact C-N 3.25Å; S415-A417 PolarHBondContact O-N 3.15Å; A417-P451 CarbonylContact C-O 3.55Å; A417-P451 WeakPolarHBondContact CA-O 3.33Å; A417-P451 HydrophobicContact CB-CB 4.06Å; A417-P451 HydrophobicContact CB-CG 4.12Å; A417-P451 VanDerWaalsContact CB-O 3.31Å; A417-P451 WeakPolarHBondContact CB-O 3.34Å; A417-V453 HydrophobicContact CB-CG2 3.94Å
418	T	94.4	Very high	92.3	Very high	41 Å²	41	28 Å²	28	25%	0.252	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.2	172.3	55.9	0	0	0	0	110.4	F420 H449 P451 A452 V453	T418-F420 WeakPolarHBondContact OG1-CE2 3.33Å; T418-H449 HydrophobicContact CG2-CB 4.03Å; T418-H449 PolarHBondContact OG1-O 2.97Å; T418-P451 PolarHBondContact N-O 2.89Å; T418-P451 PolarHBondContact OG1-O 3.41Å; T418-A452 WeakPolarHBondContact O-CA 3.32Å; T418-A452 WeakPolarHBondContact OG1-CB 3.3Å; T418-V453 PolarHBondContact O-N 3.03Å
419	F	96.3	Very high	91.8	Very high	11 Å²	11	30.5 Å²	30.5	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.2	-179.7	-169.5	-114.5	0	0	0	110.2	D350 G408 K409 A412 V453 F455	D350-F419 HydrophobicContact CB-CB 4.14Å; D350-F419 HydrophobicContact CB-CD1 3.66Å; D350-F419 HydrophobicContact CB-CG 4.39Å; D350-F419 PolarHBondContact N-O 3.05Å; D350-F419 WeakPolarHBondContact OD2-CD1 3.43Å; G408-F419 VanDerWaalsContact O-CE2 3.24Å; G408-F419 WeakPolarHBondContact O-CE2 3.49Å; K409-F419 HydrophobicContact CB-CE1 4.37Å; K409-F419 HydrophobicContact CB-CZ 4.45Å; K409-F419 HydrophobicContact CD-CE1 4.38Å; K409-F419 HydrophobicContact CG-CD1 3.81Å; K409-F419 HydrophobicContact CG-CE1 3.33Å; K409-F419 HydrophobicContact CG-CZ 3.73Å; A412-F419 HydrophobicContact CB-CB 3.69Å; A412-F419 HydrophobicContact CB-CD2 3.67Å; A412-F419 HydrophobicContact CB-CG 4.05Å; F419-V453 HydrophobicContact CD2-CB 4.1Å; F419-V453 HydrophobicContact CD2-CG1 3.85Å; F419-V453 HydrophobicContact CE2-CG1 4.01Å; F419-F455 HydrophobicContact CD2-CB 4.42Å; F419-F455 HydrophobicContact CE1-CB 4.33Å; F419-F455 HydrophobicContact CE2-CB 3.4Å; F419-F455 HydrophobicContact CE2-CD2 4.45Å; F419-F455 HydrophobicContact CE2-CG 4.09Å; F419-F455 HydrophobicContact CZ-CB 3.34Å; F419-F455 HydrophobicContact CZ-CD1 4.22Å; F419-F455 HydrophobicContact CZ-CD2 4.23Å; F419-F455 AromaticContact CZ-CG 3.69Å; F419-F455 HydrophobicContact CZ-CG 3.69Å
420	F	96.1	Very high	91.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.7	171.4	-63.1	-89.9	0	0	0	107.9	I344 I348 M349 T418 L442 I445 A446 H449 A452 V453 I454 F455	I344-F420 HydrophobicContact CG2-CD1 4.29Å; I344-F420 HydrophobicContact CG2-CE1 4.31Å; I348-F420 HydrophobicContact CG2-CB 4.04Å; I348-F420 HydrophobicContact CG2-CD1 4.27Å; I348-F420 CarbonylContact O-C 3.58Å; I348-F420 VanDerWaalsContact O-CA 3.3Å; I348-F420 WeakPolarHBondContact O-CA 3.3Å; M349-F420 HydrophobicContact CB-CD1 4.22Å; M349-F420 HydrophobicContact CB-CE1 4.12Å; M349-F420 HydrophobicContact CE-CE1 3.63Å; M349-F420 HydrophobicContact CE-CZ 3.76Å; M349-F420 HydrophobicContact CG-CD1 4.45Å; M349-F420 HydrophobicContact CG-CE1 4.13Å; T418-F420 WeakPolarHBondContact OG1-CE2 3.33Å; F420-L442 HydrophobicContact CB-CD1 4.17Å; F420-L442 HydrophobicContact CD1-CD1 4.07Å; F420-L442 HydrophobicContact CG-CD1 4.27Å; F420-I445 HydrophobicContact CE1-CG2 3.8Å; F420-I445 HydrophobicContact CZ-CG2 3.97Å; F420-A446 HydrophobicContact CD2-CB 4.33Å; F420-A446 HydrophobicContact CE2-CB 3.98Å; F420-A446 HydrophobicContact CZ-CB 4.47Å; F420-H449 HydrophobicContact CE2-CB 4.42Å; F420-H449 HydrophobicContact CZ-CB 4.11Å; F420-A452 HydrophobicContact CD2-CB 4.42Å; F420-A452 HydrophobicContact CE2-CB 4.01Å; F420-V453 PolarHBondContact N-O 3.13Å; F420-I454 HydrophobicContact CD2-CG1 4.47Å; F420-F455 PolarHBondContact O-N 2.92Å
421	S	95.1	Very high	90.7	Very high	41 Å²	41	45.8 Å²	45.8	29%	0.287	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.4	-176	-173	0	0	0	0	110.1	I348	I348-S421 PolarHBondContact O-N 3.45Å
422	I	94.5	Very high	90.2	Very high	7 Å²	7	51 Å²	51	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.9	-178.1	-165.4	168.8	0	0	0	110.6	I348 L427 L442 F455 I456 D457	I348-I422 HydrophobicContact CD1-CD1 3.71Å; I348-I422 HydrophobicContact CD1-CG1 4.28Å; I348-I422 HydrophobicContact CG1-CB 4.49Å; I348-I422 HydrophobicContact CG1-CD1 4.27Å; I348-I422 HydrophobicContact CG1-CG1 4.33Å; I348-I422 HydrophobicContact CG2-CB 4.18Å; I422-L427 HydrophobicContact CD1-CD1 4.43Å; I422-L427 HydrophobicContact CD1-CD2 3.52Å; I422-L427 HydrophobicContact CD1-CG 3.7Å; I422-L427 HydrophobicContact CG1-CG 4.4Å; I422-L442 HydrophobicContact CD1-CD2 4.32Å; I422-L442 HydrophobicContact CG2-CD2 4.27Å; I422-F455 PolarHBondContact N-O 2.79Å; I422-I456 HydrophobicContact CG2-CB 4.46Å; I422-I456 HydrophobicContact CG2-CG1 3.93Å; I422-I456 HydrophobicContact CG2-CG2 4.46Å; I422-I456 CarbonylContact O-C 3.54Å; I422-I456 VanDerWaalsContact O-CA 3.3Å; I422-I456 WeakPolarHBondContact O-CA 3.37Å; I422-D457 PolarHBondContact O-N 2.84Å
423	S	93.1	Very high	89.8	Confident	28 Å²	28	51.8 Å²	51.8	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.2	164.3	171.5	0	0	0	0	108.5	S425 S426 E458	S423-S425 PolarHBondContact O-N 3.44Å; S423-S425 VanDerWaalsContact O-N 3.16Å; S423-S425 PolarHBondContact OG-N 3.15Å; S423-S425 PolarHBondContact OG-OG 2.96Å; S423-S426 WeakPolarHBondContact O-CB 3.29Å; S423-S426 PolarHBondContact O-N 3.41Å; S423-S426 PolarHBondContact O-OG 3.07Å; S423-E458 PolarHBondContact OG-OE2 3.48Å
424	A	90	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-54.5	-30	171.7	0	0	0	0	0	113	S426 L427 I456 D457 E458 S461 L462	A424-S426 VanDerWaalsContact C-N 3.34Å; A424-S426 PolarHBondContact O-N 3.33Å; A424-L427 PolarHBondContact O-N 2.99Å; A424-I456 HydrophobicContact CB-CG2 4.05Å; A424-D457 WeakPolarHBondContact CB-O 3.47Å; A424-D457 PolarHBondContact N-O 3.42Å; A424-E458 VanDerWaalsContact CB-O 3.29Å; A424-E458 WeakPolarHBondContact CB-O 3.41Å; A424-S461 WeakPolarHBondContact CB-OG 3.13Å; A424-L462 HydrophobicContact CB-CB 3.73Å
425	S	87.4	Confident	89.6	Confident	61 Å²	61	49.7 Å²	49.7	43%	0.427	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-60.4	-41	173	66.9	0	0	0	0	112.7	S423 L427 T428	S423-S425 PolarHBondContact O-N 3.44Å; S423-S425 VanDerWaalsContact O-N 3.16Å; S423-S425 PolarHBondContact OG-N 3.15Å; S423-S425 PolarHBondContact OG-OG 2.96Å; S425-L427 PolarHBondContact O-N 2.9Å; S425-T428 PolarHBondContact O-N 3.36Å; S425-T428 PolarHBondContact O-OG1 2.91Å
426	S	88.4	Confident	89.7	Confident	64 Å²	64	51.2 Å²	51.2	45%	0.448	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-64.9	-21.5	-179.7	-47.1	0	0	0	0	113.5	S423 A424 T428 M438	S423-S426 WeakPolarHBondContact O-CB 3.29Å; S423-S426 PolarHBondContact O-N 3.41Å; S423-S426 PolarHBondContact O-OG 3.07Å; A424-S426 VanDerWaalsContact C-N 3.34Å; A424-S426 PolarHBondContact O-N 3.33Å; S426-T428 PolarHBondContact O-N 3.28Å; S426-M438 WeakPolarHBondContact O-CE 3.47Å
427	L	87	Confident	89.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-75.7	-11.9	174.2	-72.2	171.1	0	0	0	113.3	I422 A424 S425 G435 M438 V439 L462 I477	I422-L427 HydrophobicContact CD1-CD1 4.43Å; I422-L427 HydrophobicContact CD1-CD2 3.52Å; I422-L427 HydrophobicContact CD1-CG 3.7Å; I422-L427 HydrophobicContact CG1-CG 4.4Å; A424-L427 PolarHBondContact O-N 2.99Å; S425-L427 PolarHBondContact O-N 2.9Å; L427-G435 VanDerWaalsContact O-CA 3.31Å; L427-G435 WeakPolarHBondContact O-CA 3.48Å; L427-M438 HydrophobicContact CD2-CE 4.3Å; L427-M438 HydrophobicContact CD2-CG 4.22Å; L427-V439 HydrophobicContact CD1-CG2 4.31Å; L427-V439 HydrophobicContact CD2-CG2 3.83Å; L427-L462 HydrophobicContact CD1-CD2 3.83Å; L427-I477 HydrophobicContact CB-CG2 4.48Å
428	T	85.9	Confident	89.7	Confident	80 Å²	80	52.7 Å²	52.7	49%	0.491	28%	0.283	S	S	.	.			trans	-94.4	139.8	175.5	72.3	0	0	0	0	110.7	S425 S426	S425-T428 PolarHBondContact O-N 3.36Å; S425-T428 PolarHBondContact O-OG1 2.91Å; S426-T428 PolarHBondContact O-N 3.28Å
429	S	82.3	Confident	89.7	Confident	52 Å²	52	50.8 Å²	50.8	36%	0.364	27%	0.271	S	S	.	.			trans	-144.3	168.6	174.9	100.8	0	0	0	0	111.3	W431 E434	S429-W431 VanDerWaalsContact C-N 3.26Å; S429-W431 PolarHBondContact O-N 2.64Å; S429-W431 PolarHBondContact OG-N 2.7Å; S429-E434 WeakPolarHBondContact CB-OE2 3.47Å; S429-E434 PolarHBondContact OG-OE2 3.38Å
430	K	83.9	Confident	89.6	Confident	190 Å²	190	54.3 Å²	54.3	83%	0.826	28%	0.284	S	S	*	.	S	Bend	trans	-70.7	-18.8	176.1	-173.3	174.3	177.6	-179.1	0	113.1
431	W	83.2	Confident	89.4	Confident	180 Å²	180	54.3 Å²	54.3	68%	0.682	28%	0.284	S	S	*	.	S	Bend	trans	-98.3	116.9	-172.5	-57.3	113.1	0	0	0	111.3	S429 G433 E434	S429-W431 VanDerWaalsContact C-N 3.26Å; S429-W431 PolarHBondContact O-N 2.64Å; S429-W431 PolarHBondContact OG-N 2.7Å; W431-G433 PolarHBondContact O-N 2.87Å; W431-E434 HydrophobicContact CB-CB 4.06Å; W431-E434 VanDerWaalsContact O-CB 3.32Å; W431-E434 WeakPolarHBondContact O-CB 3.23Å; W431-E434 PolarHBondContact O-N 2.85Å
432	V	82.8	Confident	89.4	Confident	108 Å²	108	52.4 Å²	52.4	66%	0.655	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	123.2	-176	-178.3	0	0	0	0	110.9
433	G	86.1	Confident	89.3	Confident	19 Å²	19	52.1 Å²	52.1	20%	0.196	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-5.7	-180	0	0	0	0	0	115.7	W431 E436 K437	W431-G433 PolarHBondContact O-N 2.87Å; G433-E436 PolarHBondContact O-N 3.42Å; G433-K437 WeakPolarHBondContact O-CG 3.34Å; G433-K437 PolarHBondContact O-N 2.67Å; G433-K437 VanDerWaalsContact O-N 3.12Å
434	E	89.3	Confident	89.3	Confident	75 Å²	75	51.3 Å²	51.3	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-45.8	177.1	-175.3	175.1	-128.7	0	0	111.9	S429 W431 E436 K437 M438	S429-E434 WeakPolarHBondContact CB-OE2 3.47Å; S429-E434 PolarHBondContact OG-OE2 3.38Å; W431-E434 HydrophobicContact CB-CB 4.06Å; W431-E434 VanDerWaalsContact O-CB 3.32Å; W431-E434 WeakPolarHBondContact O-CB 3.23Å; W431-E434 PolarHBondContact O-N 2.85Å; E434-E436 VanDerWaalsContact C-N 3.27Å; E434-E436 PolarHBondContact O-N 2.85Å; E434-K437 WeakPolarHBondContact O-CA 3.36Å; E434-K437 WeakPolarHBondContact O-CB 3.45Å; E434-K437 PolarHBondContact O-N 3.11Å; E434-M438 PolarHBondContact O-N 3.43Å
435	G	91.3	Very high	89.4	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-37.7	173.8	0	0	0	0	0	113	L427 K437 M438 V439	L427-G435 VanDerWaalsContact O-CA 3.31Å; L427-G435 WeakPolarHBondContact O-CA 3.48Å; G435-K437 VanDerWaalsContact C-N 3.35Å; G435-K437 PolarHBondContact O-N 3.18Å; G435-M438 PolarHBondContact O-N 3Å; G435-V439 WeakPolarHBondContact O-CG2 3.36Å; G435-V439 PolarHBondContact O-N 3.23Å
436	E	92.4	Very high	89.7	Confident	36 Å²	36	48.4 Å²	48.4	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-36.5	174.2	-54.7	169.2	-157.7	0	0	112.1	G433 E434 R440 R476 I477	G433-E436 PolarHBondContact O-N 3.42Å; E434-E436 VanDerWaalsContact C-N 3.27Å; E434-E436 PolarHBondContact O-N 2.85Å; E436-R440 VanDerWaalsContact CB-NH2 3.31Å; E436-R440 WeakPolarHBondContact O-CG 3.26Å; E436-R440 PolarHBondContact O-N 3.01Å; E436-R440 PolarHBondContact O-NE 3.29Å; E436-R440 IonicContact OE2-NH2 2.83Å; E436-R440 PolarHBondContact OE2-NH2 2.84Å; E436-R476 HydrophobicContact CG-CB 4.2Å; E436-R476 VanDerWaalsContact OE1-CB 3.32Å; E436-R476 WeakPolarHBondContact OE1-CB 3.35Å; E436-R476 WeakPolarHBondContact OE1-CD 3.07Å; E436-I477 HydrophobicContact CG-CG1 4.31Å
437	K	92.3	Very high	89.8	Confident	88 Å²	88	47.8 Å²	47.8	38%	0.383	23%	0.232	S	C	.	.	H	α-helix	trans	-67.1	-42.6	173	-70.4	174.6	-179	178	0	110.6	E337 I340 G433 E434 G435 R440 A441	E337-K437 IonicContact OE1-NZ 3.13Å; E337-K437 PolarHBondContact OE1-NZ 2.73Å; I340-K437 HydrophobicContact CD1-CB 4.14Å; I340-K437 HydrophobicContact CD1-CD 4.33Å; G433-K437 WeakPolarHBondContact O-CG 3.34Å; G433-K437 PolarHBondContact O-N 2.67Å; G433-K437 VanDerWaalsContact O-N 3.12Å; E434-K437 WeakPolarHBondContact O-CA 3.36Å; E434-K437 WeakPolarHBondContact O-CB 3.45Å; E434-K437 PolarHBondContact O-N 3.11Å; G435-K437 VanDerWaalsContact C-N 3.35Å; G435-K437 PolarHBondContact O-N 3.18Å; K437-R440 PolarHBondContact O-N 3.41Å; K437-A441 WeakPolarHBondContact O-CB 3.26Å; K437-A441 PolarHBondContact O-N 3.48Å
438	M	92.4	Very high	89.9	Confident	21 Å²	21	49.6 Å²	49.6	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-41.4	-177.8	-172.3	149.7	66.4	0	0	112.5	I340 L343 I344 S426 L427 E434 G435 R440 A441 L442	I340-M438 HydrophobicContact CG2-CB 4.47Å; I340-M438 HydrophobicContact CG2-CG 4.45Å; L343-M438 HydrophobicContact CD2-SD 4.06Å; I344-M438 HydrophobicContact CD1-CG 4.3Å; S426-M438 WeakPolarHBondContact O-CE 3.47Å; L427-M438 HydrophobicContact CD2-CE 4.3Å; L427-M438 HydrophobicContact CD2-CG 4.22Å; E434-M438 PolarHBondContact O-N 3.43Å; G435-M438 PolarHBondContact O-N 3Å; M438-R440 VanDerWaalsContact C-N 3.34Å; M438-R440 PolarHBondContact O-N 2.98Å; M438-A441 PolarHBondContact O-N 2.81Å; M438-L442 VanDerWaalsContact O-CB 3.3Å; M438-L442 WeakPolarHBondContact O-CB 3.26Å; M438-L442 PolarHBondContact O-N 3.35Å
439	V	94.4	Very high	90.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-46.4	170.9	170.6	0	0	0	0	110.9	L427 G435 L442 F443 I477 E480 F481 Q484	L427-V439 HydrophobicContact CD1-CG2 4.31Å; L427-V439 HydrophobicContact CD2-CG2 3.83Å; G435-V439 WeakPolarHBondContact O-CG2 3.36Å; G435-V439 PolarHBondContact O-N 3.23Å; V439-L442 PolarHBondContact O-N 3.3Å; V439-F443 HydrophobicContact CG1-CD2 4.33Å; V439-F443 HydrophobicContact CG1-CE2 4.44Å; V439-F443 WeakPolarHBondContact O-CD2 3.42Å; V439-F443 PolarHBondContact O-N 3.46Å; V439-I477 HydrophobicContact CG2-CG2 3.89Å; V439-E480 HydrophobicContact CB-CG 4.33Å; V439-E480 HydrophobicContact CG1-CG 4.03Å; V439-F481 HydrophobicContact CG1-CB 4.19Å; V439-F481 HydrophobicContact CG1-CD2 4.25Å; V439-Q484 HydrophobicContact CG1-CB 4.5Å; V439-Q484 HydrophobicContact CG1-CG 4.05Å
440	R	92.9	Very high	90.6	Very high	85 Å²	85	48.4 Å²	48.4	32%	0.321	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-41.6	177.5	-76.6	177.5	-77.3	-165	-8.9	112.7	F336 E436 K437 M438 A444 E480	F336-R440 HydrophobicContact CE1-CB 3.73Å; F336-R440 HydrophobicContact CZ-CB 4.05Å; E436-R440 VanDerWaalsContact CB-NH2 3.31Å; E436-R440 WeakPolarHBondContact O-CG 3.26Å; E436-R440 PolarHBondContact O-N 3.01Å; E436-R440 PolarHBondContact O-NE 3.29Å; E436-R440 IonicContact OE2-NH2 2.83Å; E436-R440 PolarHBondContact OE2-NH2 2.84Å; K437-R440 PolarHBondContact O-N 3.41Å; M438-R440 VanDerWaalsContact C-N 3.34Å; M438-R440 PolarHBondContact O-N 2.98Å; R440-A444 VanDerWaalsContact O-CB 3.3Å; R440-A444 WeakPolarHBondContact O-CB 3.26Å; R440-A444 PolarHBondContact O-N 3.23Å; R440-E480 VanDerWaalsContact CD-CD 3.49Å; R440-E480 WeakPolarHBondContact CD-OE1 3.46Å; R440-E480 VanDerWaalsContact CG-CD 3.44Å; R440-E480 HydrophobicContact CG-CG 3.85Å; R440-E480 WeakPolarHBondContact CG-OE1 3.4Å; R440-E480 IonicContact CZ-OE2 3.16Å; R440-E480 IonicContact NE-OE2 3.74Å; R440-E480 IonicContact NH1-OE2 2.62Å
441	A	92.9	Very high	91	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-43.3	177.2	0	0	0	0	0	111.6	F336 I340 I344 K437 M438 F443 A444 I445	F336-A441 HydrophobicContact CD1-CB 3.67Å; F336-A441 HydrophobicContact CE1-CB 3.92Å; F336-A441 HydrophobicContact CG-CB 4.16Å; I340-A441 HydrophobicContact CG2-CB 3.69Å; I344-A441 HydrophobicContact CD1-CB 3.58Å; K437-A441 WeakPolarHBondContact O-CB 3.26Å; K437-A441 PolarHBondContact O-N 3.48Å; M438-A441 PolarHBondContact O-N 2.81Å; A441-F443 PolarHBondContact O-N 3.09Å; A441-A444 PolarHBondContact O-N 2.98Å; A441-A444 VanDerWaalsContact O-N 3.15Å; A441-I445 WeakPolarHBondContact O-CB 3.31Å; A441-I445 VanDerWaalsContact O-CG1 3.26Å; A441-I445 WeakPolarHBondContact O-CG1 3.41Å; A441-I445 PolarHBondContact O-N 2.74Å
442	L	94.2	Very high	91.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-49.5	178.8	178.2	61.1	0	0	0	111.6	I344 I348 F420 I422 M438 V439 I445 A446 I454	I344-L442 HydrophobicContact CD1-CB 4.29Å; I344-L442 HydrophobicContact CG2-CD1 3.9Å; I348-L442 HydrophobicContact CG2-CD1 3.95Å; F420-L442 HydrophobicContact CB-CD1 4.17Å; F420-L442 HydrophobicContact CD1-CD1 4.07Å; F420-L442 HydrophobicContact CG-CD1 4.27Å; I422-L442 HydrophobicContact CD1-CD2 4.32Å; I422-L442 HydrophobicContact CG2-CD2 4.27Å; M438-L442 VanDerWaalsContact O-CB 3.3Å; M438-L442 WeakPolarHBondContact O-CB 3.26Å; M438-L442 PolarHBondContact O-N 3.35Å; V439-L442 PolarHBondContact O-N 3.3Å; L442-I445 PolarHBondContact O-N 3.02Å; L442-A446 WeakPolarHBondContact O-CB 3.47Å; L442-A446 PolarHBondContact O-N 2.71Å; L442-I454 HydrophobicContact CD2-CG2 3.97Å; L442-I454 HydrophobicContact CG-CG2 4.39Å
443	F	93.5	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.4	-30.5	175.7	-81.7	-97.7	0	0	0	112.8	V439 A441 R447 I454 F481 Q484 A488 V498	V439-F443 HydrophobicContact CG1-CD2 4.33Å; V439-F443 HydrophobicContact CG1-CE2 4.44Å; V439-F443 WeakPolarHBondContact O-CD2 3.42Å; V439-F443 PolarHBondContact O-N 3.46Å; A441-F443 PolarHBondContact O-N 3.09Å; F443-R447 VanDerWaalsContact O-CG 3.26Å; F443-R447 WeakPolarHBondContact O-CG 3.4Å; F443-R447 PolarHBondContact O-N 3.09Å; F443-I454 HydrophobicContact CD1-CD1 3.93Å; F443-I454 HydrophobicContact CD2-CD1 4.29Å; F443-I454 HydrophobicContact CE1-CD1 3.91Å; F443-I454 HydrophobicContact CE2-CD1 4.27Å; F443-I454 HydrophobicContact CG-CD1 4.14Å; F443-I454 HydrophobicContact CZ-CD1 4.09Å; F443-F481 AromaticContact CE2-CD2 3.93Å; F443-F481 HydrophobicContact CE2-CD2 3.93Å; F443-F481 AromaticContact CE2-CE2 3.72Å; F443-F481 HydrophobicContact CE2-CE2 3.72Å; F443-F481 HydrophobicContact CZ-CD2 4.41Å; F443-F481 AromaticContact CZ-CE2 3.89Å; F443-F481 HydrophobicContact CZ-CE2 3.89Å; F443-F481 HydrophobicContact CZ-CZ 4.45Å; F443-Q484 HydrophobicContact CB-CB 4.19Å; F443-Q484 HydrophobicContact CB-CG 4.23Å; F443-Q484 HydrophobicContact CD1-CB 3.91Å; F443-Q484 HydrophobicContact CD2-CB 3.59Å; F443-Q484 HydrophobicContact CD2-CG 4.06Å; F443-Q484 HydrophobicContact CE1-CB 4.1Å; F443-Q484 HydrophobicContact CE2-CB 3.79Å; F443-Q484 HydrophobicContact CG-CB 3.64Å; F443-Q484 HydrophobicContact CG-CG 4.15Å; F443-Q484 HydrophobicContact CZ-CB 4.04Å; F443-A488 HydrophobicContact CD1-CB 4.32Å; F443-A488 HydrophobicContact CE1-CB 4.32Å; F443-V498 HydrophobicContact CE1-CG2 4.02Å; F443-V498 HydrophobicContact CZ-CG2 3.87Å
444	A	91.8	Very high	92.6	Very high	11 Å²	11	25.8 Å²	25.8	9%	0.091	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-43.8	173.4	0	0	0	0	0	112.2	L333 F336 R440 A441 R447 C448	L333-A444 HydrophobicContact CD2-CB 4.04Å; F336-A444 HydrophobicContact CD2-CB 4.41Å; F336-A444 HydrophobicContact CE2-CB 3.54Å; F336-A444 HydrophobicContact CZ-CB 3.86Å; R440-A444 VanDerWaalsContact O-CB 3.3Å; R440-A444 WeakPolarHBondContact O-CB 3.26Å; R440-A444 PolarHBondContact O-N 3.23Å; A441-A444 PolarHBondContact O-N 2.98Å; A441-A444 VanDerWaalsContact O-N 3.15Å; A444-R447 WeakPolarHBondContact O-CB 3.32Å; A444-R447 PolarHBondContact O-N 2.6Å; A444-C448 PolarHBondContact O-N 3.31Å; A444-C448 PolarHBondContact O-SG 2.87Å
445	I	92.6	Very high	92.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-43.7	177.5	-65.5	163	0	0	0	110	L333 V341 I344 M345 M349 F420 A441 L442 R447 C448 H449	L333-I445 HydrophobicContact CD1-CG1 4.35Å; L333-I445 HydrophobicContact CD2-CG1 3.56Å; V341-I445 HydrophobicContact CB-CD1 4.29Å; V341-I445 HydrophobicContact CG1-CD1 3.97Å; V341-I445 HydrophobicContact CG1-CG1 4.42Å; V341-I445 HydrophobicContact CG2-CD1 4.38Å; I344-I445 HydrophobicContact CB-CD1 3.71Å; I344-I445 HydrophobicContact CD1-CD1 3.81Å; I344-I445 HydrophobicContact CG1-CD1 4.38Å; I344-I445 HydrophobicContact CG2-CB 4.44Å; I344-I445 HydrophobicContact CG2-CD1 3.66Å; I344-I445 HydrophobicContact CG2-CG2 4.31Å; M345-I445 HydrophobicContact CG-CG2 4.26Å; M349-I445 HydrophobicContact CE-CG2 4.39Å; F420-I445 HydrophobicContact CE1-CG2 3.8Å; F420-I445 HydrophobicContact CZ-CG2 3.97Å; A441-I445 WeakPolarHBondContact O-CB 3.31Å; A441-I445 VanDerWaalsContact O-CG1 3.26Å; A441-I445 WeakPolarHBondContact O-CG1 3.41Å; A441-I445 PolarHBondContact O-N 2.74Å; L442-I445 PolarHBondContact O-N 3.02Å; I445-R447 PolarHBondContact O-N 3.16Å; I445-C448 WeakPolarHBondContact O-CA 3.43Å; I445-C448 WeakPolarHBondContact O-CB 3.3Å; I445-C448 PolarHBondContact O-N 3.24Å; I445-H449 PolarHBondContact O-CD2 3.13Å; I445-H449 PolarHBondContact O-N 3.23Å
446	A	93.2	Very high	93.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-29.4	172.3	0	0	0	0	0	113.2	F420 L442 Q450 A452 I454 I496	F420-A446 HydrophobicContact CD2-CB 4.33Å; F420-A446 HydrophobicContact CE2-CB 3.98Å; F420-A446 HydrophobicContact CZ-CB 4.47Å; L442-A446 WeakPolarHBondContact O-CB 3.47Å; L442-A446 PolarHBondContact O-N 2.71Å; A446-Q450 VanDerWaalsContact O-CG 3.23Å; A446-Q450 WeakPolarHBondContact O-CG 3.4Å; A446-A452 HydrophobicContact CB-CB 4.06Å; A446-I454 HydrophobicContact CB-CD1 3.78Å; A446-I454 HydrophobicContact CB-CG1 4.07Å; A446-I496 HydrophobicContact CB-CD1 4.05Å
447	R	90.6	Very high	93.3	Very high	52 Å²	52	22.1 Å²	22.1	20%	0.196	11%	0.105	C	C	.	.	H	α-helix	trans	-73.3	-21.8	170.9	-74.1	176.3	-172.3	110.7	2.2	114.4	R332 F443 A444 I445 D494 I496	R332-R447 PolarHBondContact NH1-O 3.08Å; F443-R447 VanDerWaalsContact O-CG 3.26Å; F443-R447 WeakPolarHBondContact O-CG 3.4Å; F443-R447 PolarHBondContact O-N 3.09Å; A444-R447 WeakPolarHBondContact O-CB 3.32Å; A444-R447 PolarHBondContact O-N 2.6Å; I445-R447 PolarHBondContact O-N 3.16Å; R447-D494 IonicContact CZ-OD2 2.73Å; R447-D494 IonicContact NE-OD2 2.71Å; R447-D494 PolarHBondContact NE-OD2 3.4Å; R447-D494 IonicContact NH2-OD2 3.8Å; R447-I496 HydrophobicContact CB-CD1 4.37Å; R447-I496 HydrophobicContact CG-CD1 3.48Å; R447-I496 VanDerWaalsContact CG-CD1 3.48Å
448	C	90.3	Very high	93.4	Very high	39 Å²	39	22.2 Å²	22.2	26%	0.264	11%	0.107	S	C	.	.	H	α-helix	trans	-83.2	-32.2	173.4	-54.2	0	0	0	0	111.2	A444 I445	A444-C448 PolarHBondContact O-N 3.31Å; A444-C448 PolarHBondContact O-SG 2.87Å; I445-C448 WeakPolarHBondContact O-CA 3.43Å; I445-C448 WeakPolarHBondContact O-CB 3.3Å; I445-C448 PolarHBondContact O-N 3.24Å
449	H	91.1	Very high	93.5	Very high	62 Å²	62	21.2 Å²	21.2	29%	0.287	10%	0.102	S	C	.	.	S	Bend	trans	-102.2	31.9	-174.7	-71.1	-84.1	0	0	0	114.4	T418 F420 I445 P451	T418-H449 HydrophobicContact CG2-CB 4.03Å; T418-H449 PolarHBondContact OG1-O 2.97Å; F420-H449 HydrophobicContact CE2-CB 4.42Å; F420-H449 HydrophobicContact CZ-CB 4.11Å; I445-H449 PolarHBondContact O-CD2 3.13Å; I445-H449 PolarHBondContact O-N 3.23Å; H449-P451 CarbonylContact O-C 3.56Å; H449-P451 VanDerWaalsContact O-O 3.13Å
450	Q	90.5	Very high	93.5	Very high	44 Å²	44	21.8 Å²	21.8	21%	0.206	11%	0.105	C	C	.	.			trans	-72.9	142.6	-177.2	-68.3	-173.2	13.9	0	0	113.9	A446 D493 D494 I496	A446-Q450 VanDerWaalsContact O-CG 3.23Å; A446-Q450 WeakPolarHBondContact O-CG 3.4Å; Q450-D493 PolarHBondContact OE1-O 2.88Å; Q450-D494 PolarHBondContact NE2-OD1 3.45Å; Q450-I496 HydrophobicContact CG-CG1 4.11Å
451	P	92.4	Very high	93.4	Very high	23 Å²	23	20.5 Å²	20.5	15%	0.149	11%	0.109	C	C	.	.	S	Bend	cis	-73.5	143.5	2.3	29.5	-32.7	0	0	0	112.3	M378 A417 T418 H449 R495	M378-P451 HydrophobicContact CE-CB 3.91Å; A417-P451 CarbonylContact C-O 3.55Å; A417-P451 WeakPolarHBondContact CA-O 3.33Å; A417-P451 HydrophobicContact CB-CB 4.06Å; A417-P451 HydrophobicContact CB-CG 4.12Å; A417-P451 VanDerWaalsContact CB-O 3.31Å; A417-P451 WeakPolarHBondContact CB-O 3.34Å; T418-P451 PolarHBondContact N-O 2.89Å; T418-P451 PolarHBondContact OG1-O 3.41Å; H449-P451 CarbonylContact O-C 3.56Å; H449-P451 VanDerWaalsContact O-O 3.13Å; P451-R495 WeakPolarHBondContact CA-O 3.38Å; P451-R495 HydrophobicContact CB-CB 4.19Å
452	A	93.8	Very high	93.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146	-172	0	0	0	0	0	112.7	T418 F420 A446 R495 I496 L497	T418-A452 WeakPolarHBondContact O-CA 3.32Å; T418-A452 WeakPolarHBondContact OG1-CB 3.3Å; F420-A452 HydrophobicContact CD2-CB 4.42Å; F420-A452 HydrophobicContact CE2-CB 4.01Å; A446-A452 HydrophobicContact CB-CB 4.06Å; A452-R495 PolarHBondContact N-O 3.13Å; A452-I496 HydrophobicContact CB-CG1 4.42Å; A452-I496 WeakPolarHBondContact O-CA 3.34Å; A452-L497 PolarHBondContact O-N 2.78Å
453	V	95.5	Very high	93.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	115.5	176.7	177.8	0	0	0	0	108.3	M378 I411 A412 A417 T418 F419 F420 L497 V499	M378-V453 HydrophobicContact CE-CG2 4.19Å; I411-V453 HydrophobicContact CG2-CG2 4.21Å; A412-V453 HydrophobicContact CB-CB 4.01Å; A412-V453 HydrophobicContact CB-CG2 3.9Å; A417-V453 HydrophobicContact CB-CG2 3.94Å; T418-V453 PolarHBondContact O-N 3.03Å; F419-V453 HydrophobicContact CD2-CB 4.1Å; F419-V453 HydrophobicContact CD2-CG1 3.85Å; F419-V453 HydrophobicContact CE2-CG1 4.01Å; F420-V453 PolarHBondContact N-O 3.13Å; V453-L497 CarbonylContact C-O 3.53Å; V453-L497 WeakPolarHBondContact CA-O 3.5Å; V453-L497 HydrophobicContact CG1-CD2 4.21Å; V453-L497 HydrophobicContact CG2-CB 4.38Å; V453-L497 HydrophobicContact CG2-CD2 4.15Å; V453-V499 HydrophobicContact CG1-CG2 3.74Å
454	I	96.5	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	103	175.4	-53.2	174.3	0	0	0	108	F420 L442 F443 A446 I456 I496 L497 V498 V499	F420-I454 HydrophobicContact CD2-CG1 4.47Å; L442-I454 HydrophobicContact CD2-CG2 3.97Å; L442-I454 HydrophobicContact CG-CG2 4.39Å; F443-I454 HydrophobicContact CD1-CD1 3.93Å; F443-I454 HydrophobicContact CD2-CD1 4.29Å; F443-I454 HydrophobicContact CE1-CD1 3.91Å; F443-I454 HydrophobicContact CE2-CD1 4.27Å; F443-I454 HydrophobicContact CG-CD1 4.14Å; F443-I454 HydrophobicContact CZ-CD1 4.09Å; A446-I454 HydrophobicContact CB-CD1 3.78Å; A446-I454 HydrophobicContact CB-CG1 4.07Å; I454-I456 HydrophobicContact CG2-CD1 4.33Å; I454-I456 HydrophobicContact CG2-CG1 4.09Å; I454-I496 HydrophobicContact CD1-CG2 3.85Å; I454-I496 HydrophobicContact CG1-CG2 4.2Å; I454-L497 PolarHBondContact N-O 3.46Å; I454-V498 HydrophobicContact CB-CG2 4.43Å; I454-V498 CarbonylContact O-C 3.6Å; I454-V498 WeakPolarHBondContact O-CA 3.48Å; I454-V499 PolarHBondContact O-N 2.88Å
455	F	97.1	Very high	92.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.9	174.3	-178.8	-88.4	0	0	0	110.8	T405 F419 F420 I422 D457 V499 A501	T405-F455 HydrophobicContact CG2-CD1 4.39Å; T405-F455 HydrophobicContact CG2-CE1 3.71Å; T405-F455 HydrophobicContact CG2-CZ 3.94Å; F419-F455 HydrophobicContact CD2-CB 4.42Å; F419-F455 HydrophobicContact CE1-CB 4.33Å; F419-F455 HydrophobicContact CE2-CB 3.4Å; F419-F455 HydrophobicContact CE2-CD2 4.45Å; F419-F455 HydrophobicContact CE2-CG 4.09Å; F419-F455 HydrophobicContact CZ-CB 3.34Å; F419-F455 HydrophobicContact CZ-CD1 4.22Å; F419-F455 HydrophobicContact CZ-CD2 4.23Å; F419-F455 AromaticContact CZ-CG 3.69Å; F419-F455 HydrophobicContact CZ-CG 3.69Å; F420-F455 PolarHBondContact O-N 2.92Å; I422-F455 PolarHBondContact N-O 2.79Å; F455-D457 HydrophobicContact CE1-CB 3.75Å; F455-D457 WeakPolarHBondContact CE1-OD2 3.24Å; F455-D457 HydrophobicContact CZ-CB 4.42Å; F455-V499 WeakPolarHBondContact CA-O 3.37Å; F455-V499 HydrophobicContact CD2-CB 3.96Å; F455-V499 HydrophobicContact CD2-CG1 3.68Å; F455-V499 HydrophobicContact CE2-CG1 4.09Å; F455-A501 HydrophobicContact CE1-CB 4.31Å; F455-A501 HydrophobicContact CE2-CB 3.75Å; F455-A501 HydrophobicContact CZ-CB 3.4Å; F455-A501 VanDerWaalsContact CZ-CB 3.4Å
456	I	96.4	Very high	92	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.5	-177.7	-52.8	175.1	0	0	0	108	I422 A424 I454 I459 F481 V498 V499 A501	I422-I456 HydrophobicContact CG2-CB 4.46Å; I422-I456 HydrophobicContact CG2-CG1 3.93Å; I422-I456 HydrophobicContact CG2-CG2 4.46Å; I422-I456 CarbonylContact O-C 3.54Å; I422-I456 VanDerWaalsContact O-CA 3.3Å; I422-I456 WeakPolarHBondContact O-CA 3.37Å; A424-I456 HydrophobicContact CB-CG2 4.05Å; I454-I456 HydrophobicContact CG2-CD1 4.33Å; I454-I456 HydrophobicContact CG2-CG1 4.09Å; I456-I459 HydrophobicContact CB-CB 4.49Å; I456-I459 HydrophobicContact CB-CD1 4.12Å; I456-I459 HydrophobicContact CB-CG1 4.3Å; I456-I459 HydrophobicContact CD1-CD1 4.27Å; I456-I459 HydrophobicContact CG2-CB 4.08Å; I456-I459 HydrophobicContact CG2-CD1 4.23Å; I456-I459 HydrophobicContact CG2-CG1 3.89Å; I456-F481 HydrophobicContact CD1-CD2 4.35Å; I456-F481 HydrophobicContact CD1-CE2 3.25Å; I456-F481 HydrophobicContact CD1-CZ 3.37Å; I456-V498 HydrophobicContact CD1-CG1 4.23Å; I456-V499 PolarHBondContact N-O 3.15Å; I456-A501 PolarHBondContact O-N 2.93Å
457	D	95.2	Very high	91.3	Very high	36 Å²	36	38 Å²	38	19%	0.193	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	153.7	174.3	-131.9	-37.6	0	0	0	111.3	T405 I422 A424 F455 I459	T405-D457 PolarHBondContact OG1-OD2 3.22Å; T405-D457 VanDerWaalsContact OG1-OD2 3.07Å; I422-D457 PolarHBondContact O-N 2.84Å; A424-D457 WeakPolarHBondContact CB-O 3.47Å; A424-D457 PolarHBondContact N-O 3.42Å; F455-D457 HydrophobicContact CE1-CB 3.75Å; F455-D457 WeakPolarHBondContact CE1-OD2 3.24Å; F455-D457 HydrophobicContact CZ-CB 4.42Å; D457-I459 PolarHBondContact O-N 3.47Å
458	E	94.5	Very high	90.4	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.4	-177.1	-55.2	-180	132	0	0	113.3	S423 A424 D460 S461 A501	S423-E458 PolarHBondContact OG-OE2 3.48Å; A424-E458 VanDerWaalsContact CB-O 3.29Å; A424-E458 WeakPolarHBondContact CB-O 3.41Å; E458-D460 PolarHBondContact O-N 3.42Å; E458-S461 WeakPolarHBondContact O-CB 3.29Å; E458-S461 PolarHBondContact O-N 3.28Å; E458-S461 PolarHBondContact O-OG 2.95Å; E458-A501 PolarHBondContact N-O 3.31Å; E458-A501 VanDerWaalsContact N-O 3.13Å
459	I	95	Very high	89.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.4	-173.3	-159.6	173.8	0	0	0	113.5	L395 I456 D457 S461 L462 L463 A501 I508 L516	L395-I459 HydrophobicContact CD1-CG2 3.8Å; I456-I459 HydrophobicContact CB-CB 4.49Å; I456-I459 HydrophobicContact CB-CD1 4.12Å; I456-I459 HydrophobicContact CB-CG1 4.3Å; I456-I459 HydrophobicContact CD1-CD1 4.27Å; I456-I459 HydrophobicContact CG2-CB 4.08Å; I456-I459 HydrophobicContact CG2-CD1 4.23Å; I456-I459 HydrophobicContact CG2-CG1 3.89Å; D457-I459 PolarHBondContact O-N 3.47Å; I459-S461 VanDerWaalsContact C-N 3.29Å; I459-S461 PolarHBondContact O-N 2.83Å; I459-L462 PolarHBondContact O-N 3.22Å; I459-L463 HydrophobicContact CD1-CD1 3.66Å; I459-L463 HydrophobicContact CG1-CD1 3.67Å; I459-L463 HydrophobicContact CG1-CG 4.01Å; I459-L463 WeakPolarHBondContact O-CB 3.32Å; I459-L463 PolarHBondContact O-N 3.4Å; I459-A501 WeakPolarHBondContact CG2-O 3.22Å; I459-A501 PolarHBondContact N-O 3.4Å; I459-I508 HydrophobicContact CG2-CD1 3.91Å; I459-L516 HydrophobicContact CD1-CD1 4.23Å
460	D	93.3	Very high	89.2	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-39.3	165.9	37.4	-60.5	0	0	0	113.2	E458 L462 L463 S464 T502 R504 E507 I508	E458-D460 PolarHBondContact O-N 3.42Å; D460-L462 VanDerWaalsContact C-N 3.3Å; D460-L462 PolarHBondContact O-N 2.8Å; D460-L463 PolarHBondContact O-N 2.83Å; D460-S464 WeakPolarHBondContact O-CA 3.44Å; D460-S464 VanDerWaalsContact O-CB 3.26Å; D460-S464 WeakPolarHBondContact O-CB 3.23Å; D460-S464 PolarHBondContact O-N 3.31Å; D460-T502 WeakPolarHBondContact OD1-CA 3.33Å; D460-T502 WeakPolarHBondContact OD1-CB 3.16Å; D460-T502 PolarHBondContact OD1-OG1 3.39Å; D460-R504 HydrophobicContact CB-CB 4.29Å; D460-E507 HydrophobicContact CB-CB 4.26Å; D460-I508 HydrophobicContact CB-CD1 3.95Å
461	S	91.4	Very high	88.9	Confident	58 Å²	58	47.7 Å²	47.7	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-27.8	177.2	64.4	0	0	0	0	113.8	A424 E458 I459	A424-S461 WeakPolarHBondContact CB-OG 3.13Å; E458-S461 WeakPolarHBondContact O-CB 3.29Å; E458-S461 PolarHBondContact O-N 3.28Å; E458-S461 PolarHBondContact O-OG 2.95Å; I459-S461 VanDerWaalsContact C-N 3.29Å; I459-S461 PolarHBondContact O-N 2.83Å
462	L	90.9	Very high	88.7	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-89.7	-33.9	176.1	174.6	66	0	0	0	113	A424 L427 I459 D460 I477 K478 F481	A424-L462 HydrophobicContact CB-CB 3.73Å; L427-L462 HydrophobicContact CD1-CD2 3.83Å; I459-L462 PolarHBondContact O-N 3.22Å; D460-L462 VanDerWaalsContact C-N 3.3Å; D460-L462 PolarHBondContact O-N 2.8Å; L462-I477 HydrophobicContact CD1-CG2 3.81Å; L462-K478 WeakPolarHBondContact O-CD 3.31Å; L462-F481 HydrophobicContact CD2-CB 4.41Å; L462-F481 HydrophobicContact CD2-CD1 4.3Å; L462-F481 HydrophobicContact CD2-CD2 4.08Å; L462-F481 HydrophobicContact CD2-CG 3.97Å
463	L	91.3	Very high	88.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-113.2	13.7	-169.9	-58.2	-176	0	0	0	114.1	I459 D460 K478 F481 L482 D509 A512	I459-L463 HydrophobicContact CD1-CD1 3.66Å; I459-L463 HydrophobicContact CG1-CD1 3.67Å; I459-L463 HydrophobicContact CG1-CG 4.01Å; I459-L463 WeakPolarHBondContact O-CB 3.32Å; I459-L463 PolarHBondContact O-N 3.4Å; D460-L463 PolarHBondContact O-N 2.83Å; L463-K478 HydrophobicContact CD2-CD 4.4Å; L463-K478 HydrophobicContact CD2-CG 3.93Å; L463-K478 PolarHBondContact O-NZ 3.24Å; L463-K478 VanDerWaalsContact O-NZ 3.09Å; L463-F481 HydrophobicContact CD1-CD1 4.26Å; L463-F481 HydrophobicContact CD1-CE1 3.96Å; L463-F481 HydrophobicContact CD2-CD1 3.85Å; L463-F481 HydrophobicContact CD2-CE1 4.38Å; L463-L482 HydrophobicContact CD2-CD2 4.38Å; L463-D509 PolarHBondContact O-N 3.3Å; L463-D509 VanDerWaalsContact O-N 3.08Å; L463-A512 HydrophobicContact CB-CB 3.8Å; L463-A512 HydrophobicContact CD1-CB 3.62Å; L463-A512 HydrophobicContact CG-CB 4.17Å
464	S	88.4	Confident	88	Confident	29 Å²	29	52.8 Å²	52.8	20%	0.203	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-44.4	153.4	174.7	56.4	0	0	0	0	114.9	D460 R466 K478 E507	D460-S464 WeakPolarHBondContact O-CA 3.44Å; D460-S464 VanDerWaalsContact O-CB 3.26Å; D460-S464 WeakPolarHBondContact O-CB 3.23Å; D460-S464 PolarHBondContact O-N 3.31Å; S464-R466 PolarHBondContact O-N 2.89Å; S464-K478 PolarHBondContact O-NZ 2.91Å; S464-E507 CarbonylContact C-O 3.53Å; S464-E507 VanDerWaalsContact CA-O 3.26Å; S464-E507 WeakPolarHBondContact CA-O 3.42Å
465	Q	84.6	Confident	87.6	Confident	114 Å²	114	55.9 Å²	55.9	53%	0.533	30%	0.304	S	S	.	.			trans	-60	128.2	176.6	-56.3	-169.8	24.5	0	0	111.2	T467 Q506 E507	Q465-T467 PolarHBondContact O-N 3.46Å; Q465-Q506 PolarHBondContact NE2-O 2.65Å; Q465-E507 WeakPolarHBondContact CG-O 3.41Å; Q465-E507 PolarHBondContact N-O 3.21Å
466	R	79.5	Confident	87.3	Confident	144 Å²	144	61.6 Å²	61.6	54%	0.543	33%	0.326	S	S	.	.			trans	-62.4	121.8	179	-73.7	-180	173.1	171.1	-3	109.8	S464 T479	S464-R466 PolarHBondContact O-N 2.89Å; R466-T479 PolarHBondContact NH2-OG1 3.48Å; R466-T479 VanDerWaalsContact NH2-OG1 3.1Å
467	T	79.1	Confident	87.2	Confident	88 Å²	88	62.1 Å²	62.1	54%	0.54	33%	0.328	S	S	.	.			trans	-120.2	152	175.5	47.5	0	0	0	0	109.7	Q465 G469 E470 R475	Q465-T467 PolarHBondContact O-N 3.46Å; T467-G469 PolarHBondContact O-N 3.25Å; T467-E470 WeakPolarHBondContact O-CB 3.44Å; T467-E470 PolarHBondContact O-N 3.46Å; T467-R475 PolarHBondContact O-NH2 3.33Å
468	D	71.6	Confident	87	Confident	163 Å²	163	60.4 Å²	60.4	87%	0.872	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.9	-170.3	-65.3	-56.6	0	0	0	113.6	R475	D468-R475 PolarHBondContact O-NH2 3.48Å
469	G	74.9	Confident	86.9	Confident	80 Å²	80	58.9 Å²	58.9	83%	0.825	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	0.3	172.6	0	0	0	0	0	116.1	T467 H471	T467-G469 PolarHBondContact O-N 3.25Å; G469-H471 PolarHBondContact O-N 3.47Å
470	E	82.1	Confident	86.8	Confident	24 Å²	24	60.6 Å²	60.6	11%	0.112	32%	0.324	C	S	.	.	S	Bend	trans	-64	132.4	178	-171.4	-161.2	163.4	0	0	111.4	T467 D472 S474 R475	T467-E470 WeakPolarHBondContact O-CB 3.44Å; T467-E470 PolarHBondContact O-N 3.46Å; E470-D472 PolarHBondContact O-N 2.89Å; E470-S474 VanDerWaalsContact OE1-CB 3.26Å; E470-S474 WeakPolarHBondContact OE1-CB 3.3Å; E470-S474 PolarHBondContact OE1-OG 3.01Å; E470-R475 HydrophobicContact CB-CG 4.43Å; E470-R475 HydrophobicContact CG-CG 4.08Å; E470-R475 PolarHBondContact O-NE 2.88Å; E470-R475 PolarHBondContact O-NH1 3.03Å; E470-R475 PolarHBondContact O-NH2 3.26Å; E470-R475 WeakPolarHBondContact OE1-CG 3.25Å; E470-R475 PolarHBondContact OE1-N 3.09Å; E470-R475 VanDerWaalsContact OE2-CG 3.31Å; E470-R475 WeakPolarHBondContact OE2-CG 3.23Å; E470-R475 IonicContact OE2-NE 3.69Å
471	H	84.4	Confident	86.9	Confident	133 Å²	133	60 Å²	60	62%	0.616	32%	0.321	S	S	*	.			trans	-67.1	131.3	-180	-179.9	66.2	0	0	0	112.2	G469 S473 S474 R475	G469-H471 PolarHBondContact O-N 3.47Å; H471-S473 PolarHBondContact CD2-OG 3.47Å; H471-S473 WeakPolarHBondContact NE2-CB 3.45Å; H471-S473 PolarHBondContact NE2-OG 2.85Å; H471-S473 PolarHBondContact O-N 2.92Å; H471-S474 VanDerWaalsContact O-CB 3.32Å; H471-S474 WeakPolarHBondContact O-CB 3.38Å; H471-S474 PolarHBondContact O-N 3.41Å; H471-R475 PolarHBondContact O-N 3.43Å
472	D	86.4	Confident	86.9	Confident	81 Å²	81	57.8 Å²	57.8	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-55.8	-29	-172.2	-82.5	-11.7	0	0	0	115.2	E470 S474 R475 R476	E470-D472 PolarHBondContact O-N 2.89Å; D472-S474 VanDerWaalsContact C-N 3.32Å; D472-S474 PolarHBondContact O-N 2.65Å; D472-R475 PolarHBondContact O-N 3.38Å; D472-R475 IonicContact OD1-CZ 3.78Å; D472-R475 IonicContact OD1-NH1 3.88Å; D472-R475 PolarHBondContact OD1-NH1 3.16Å; D472-R476 WeakPolarHBondContact O-CG 3.41Å; D472-R476 PolarHBondContact O-N 2.66Å
473	S	87.1	Confident	87	Confident	20 Å²	20	61.2 Å²	61.2	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-38.8	175.6	-50.9	0	0	0	0	111.8	H471 R476 I477	H471-S473 PolarHBondContact CD2-OG 3.47Å; H471-S473 WeakPolarHBondContact NE2-CB 3.45Å; H471-S473 PolarHBondContact NE2-OG 2.85Å; H471-S473 PolarHBondContact O-N 2.92Å; S473-R476 PolarHBondContact O-N 3.48Å; S473-I477 WeakPolarHBondContact O-CD1 3.33Å; S473-I477 WeakPolarHBondContact O-CG1 3.37Å; S473-I477 PolarHBondContact O-N 3Å
474	S	87.9	Confident	87.1	Confident	30 Å²	30	62.6 Å²	62.6	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-51.9	173.3	172.6	0	0	0	0	110.6	E470 H471 D472 R476 I477 K478	E470-S474 VanDerWaalsContact OE1-CB 3.26Å; E470-S474 WeakPolarHBondContact OE1-CB 3.3Å; E470-S474 PolarHBondContact OE1-OG 3.01Å; H471-S474 VanDerWaalsContact O-CB 3.32Å; H471-S474 WeakPolarHBondContact O-CB 3.38Å; H471-S474 PolarHBondContact O-N 3.41Å; D472-S474 VanDerWaalsContact C-N 3.32Å; D472-S474 PolarHBondContact O-N 2.65Å; S474-R476 PolarHBondContact O-N 3.1Å; S474-R476 VanDerWaalsContact O-N 3.14Å; S474-I477 PolarHBondContact O-N 3.21Å; S474-I477 VanDerWaalsContact O-N 3.16Å; S474-K478 VanDerWaalsContact O-CB 3.31Å; S474-K478 WeakPolarHBondContact O-CB 3.4Å; S474-K478 PolarHBondContact O-N 3.41Å
475	R	89	Confident	87.2	Confident	64 Å²	64	61.5 Å²	61.5	24%	0.242	32%	0.324	C	S	.	.	H	α-helix	trans	-53.3	-38	178.4	-64.7	176.6	175.1	154.7	-2.4	112.5	T467 D468 E470 H471 D472 T479	T467-R475 PolarHBondContact O-NH2 3.33Å; D468-R475 PolarHBondContact O-NH2 3.48Å; E470-R475 HydrophobicContact CB-CG 4.43Å; E470-R475 HydrophobicContact CG-CG 4.08Å; E470-R475 PolarHBondContact O-NE 2.88Å; E470-R475 PolarHBondContact O-NH1 3.03Å; E470-R475 PolarHBondContact O-NH2 3.26Å; E470-R475 WeakPolarHBondContact OE1-CG 3.25Å; E470-R475 PolarHBondContact OE1-N 3.09Å; E470-R475 VanDerWaalsContact OE2-CG 3.31Å; E470-R475 WeakPolarHBondContact OE2-CG 3.23Å; E470-R475 IonicContact OE2-NE 3.69Å; H471-R475 PolarHBondContact O-N 3.43Å; D472-R475 PolarHBondContact O-N 3.38Å; D472-R475 IonicContact OD1-CZ 3.78Å; D472-R475 IonicContact OD1-NH1 3.88Å; D472-R475 PolarHBondContact OD1-NH1 3.16Å; R475-T479 WeakPolarHBondContact O-CB 3.02Å; R475-T479 PolarHBondContact O-N 3.49Å; R475-T479 VanDerWaalsContact O-N 3.09Å; R475-T479 PolarHBondContact O-OG1 3Å
476	R	91.1	Very high	87.3	Confident	121 Å²	121	58.9 Å²	58.9	46%	0.457	31%	0.314	S	S	.	.	H	α-helix	trans	-73.2	-49.7	177.1	-68	175.6	-160.2	-174.6	6.1	112.8	E436 D472 S473 S474 K478 T479 E480	E436-R476 HydrophobicContact CG-CB 4.2Å; E436-R476 VanDerWaalsContact OE1-CB 3.32Å; E436-R476 WeakPolarHBondContact OE1-CB 3.35Å; E436-R476 WeakPolarHBondContact OE1-CD 3.07Å; D472-R476 WeakPolarHBondContact O-CG 3.41Å; D472-R476 PolarHBondContact O-N 2.66Å; S473-R476 PolarHBondContact O-N 3.48Å; S474-R476 PolarHBondContact O-N 3.1Å; S474-R476 VanDerWaalsContact O-N 3.14Å; R476-K478 VanDerWaalsContact C-N 3.29Å; R476-K478 PolarHBondContact O-N 3.14Å; R476-T479 PolarHBondContact O-N 2.63Å; R476-E480 PolarHBondContact O-N 2.91Å
477	I	92.4	Very high	87.4	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-45	178.4	-60.9	159.7	0	0	0	109.9	L427 E436 V439 L462 S473 S474 T479 E480 F481	L427-I477 HydrophobicContact CB-CG2 4.48Å; E436-I477 HydrophobicContact CG-CG1 4.31Å; V439-I477 HydrophobicContact CG2-CG2 3.89Å; L462-I477 HydrophobicContact CD1-CG2 3.81Å; S473-I477 WeakPolarHBondContact O-CD1 3.33Å; S473-I477 WeakPolarHBondContact O-CG1 3.37Å; S473-I477 PolarHBondContact O-N 3Å; S474-I477 PolarHBondContact O-N 3.21Å; S474-I477 VanDerWaalsContact O-N 3.16Å; I477-T479 VanDerWaalsContact C-N 3.34Å; I477-T479 PolarHBondContact O-N 2.98Å; I477-E480 PolarHBondContact O-N 3.08Å; I477-F481 WeakPolarHBondContact O-CB 3.32Å; I477-F481 PolarHBondContact O-N 2.87Å
478	K	91.8	Very high	87.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-42.9	172.2	174.5	168.4	-179.6	176.8	0	112.8	L462 L463 S464 S474 R476 F481 L482 D509	L462-K478 WeakPolarHBondContact O-CD 3.31Å; L463-K478 HydrophobicContact CD2-CD 4.4Å; L463-K478 HydrophobicContact CD2-CG 3.93Å; L463-K478 PolarHBondContact O-NZ 3.24Å; L463-K478 VanDerWaalsContact O-NZ 3.09Å; S464-K478 PolarHBondContact O-NZ 2.91Å; S474-K478 VanDerWaalsContact O-CB 3.31Å; S474-K478 WeakPolarHBondContact O-CB 3.4Å; S474-K478 PolarHBondContact O-N 3.41Å; R476-K478 VanDerWaalsContact C-N 3.29Å; R476-K478 PolarHBondContact O-N 3.14Å; K478-F481 PolarHBondContact O-N 3.38Å; K478-L482 HydrophobicContact CG-CD1 4.11Å; K478-L482 VanDerWaalsContact O-CG 3.24Å; K478-L482 WeakPolarHBondContact O-CG 3.22Å; K478-L482 PolarHBondContact O-N 3.12Å; K478-L482 VanDerWaalsContact O-N 3.09Å; K478-D509 VanDerWaalsContact CE-OD2 3.29Å; K478-D509 WeakPolarHBondContact CE-OD2 3.49Å; K478-D509 IonicContact NZ-OD1 2.74Å; K478-D509 IonicContact NZ-OD2 3.46Å; K478-D509 PolarHBondContact NZ-OD2 3.24Å
479	T	92.3	Very high	86.7	Confident	59 Å²	59	43.9 Å²	43.9	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-43.9	-180	-59.7	0	0	0	0	111.6	R466 R475 R476 I477 F481 L482 V483	R466-T479 PolarHBondContact NH2-OG1 3.48Å; R466-T479 VanDerWaalsContact NH2-OG1 3.1Å; R475-T479 WeakPolarHBondContact O-CB 3.02Å; R475-T479 PolarHBondContact O-N 3.49Å; R475-T479 VanDerWaalsContact O-N 3.09Å; R475-T479 PolarHBondContact O-OG1 3Å; R476-T479 PolarHBondContact O-N 2.63Å; I477-T479 VanDerWaalsContact C-N 3.34Å; I477-T479 PolarHBondContact O-N 2.98Å; T479-F481 VanDerWaalsContact C-N 3.32Å; T479-F481 PolarHBondContact O-N 3.02Å; T479-L482 PolarHBondContact O-N 3.31Å; T479-V483 WeakPolarHBondContact O-CG2 3.39Å; T479-V483 PolarHBondContact O-N 3.44Å
480	E	94.1	Very high	86.1	Confident	35 Å²	35	45.8 Å²	45.8	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-40.3	173.8	-178.1	62.5	-128.3	0	0	111.4	V439 R440 R476 I477 V483 Q484	V439-E480 HydrophobicContact CB-CG 4.33Å; V439-E480 HydrophobicContact CG1-CG 4.03Å; R440-E480 VanDerWaalsContact CD-CD 3.49Å; R440-E480 WeakPolarHBondContact CD-OE1 3.46Å; R440-E480 VanDerWaalsContact CG-CD 3.44Å; R440-E480 HydrophobicContact CG-CG 3.85Å; R440-E480 WeakPolarHBondContact CG-OE1 3.4Å; R440-E480 IonicContact CZ-OE2 3.16Å; R440-E480 IonicContact NE-OE2 3.74Å; R440-E480 IonicContact NH1-OE2 2.62Å; R476-E480 PolarHBondContact O-N 2.91Å; I477-E480 PolarHBondContact O-N 3.08Å; E480-V483 PolarHBondContact O-N 3.04Å; E480-Q484 PolarHBondContact O-N 3.37Å; E480-Q484 PolarHBondContact OE1-NE2 3.06Å
481	F	94.5	Very high	85.5	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-47.2	175.9	-178.8	-94.2	0	0	0	112.7	V439 F443 I456 L462 L463 I477 K478 T479 V483 Q484 L485 V498	V439-F481 HydrophobicContact CG1-CB 4.19Å; V439-F481 HydrophobicContact CG1-CD2 4.25Å; F443-F481 AromaticContact CE2-CD2 3.93Å; F443-F481 HydrophobicContact CE2-CD2 3.93Å; F443-F481 AromaticContact CE2-CE2 3.72Å; F443-F481 HydrophobicContact CE2-CE2 3.72Å; F443-F481 HydrophobicContact CZ-CD2 4.41Å; F443-F481 AromaticContact CZ-CE2 3.89Å; F443-F481 HydrophobicContact CZ-CE2 3.89Å; F443-F481 HydrophobicContact CZ-CZ 4.45Å; I456-F481 HydrophobicContact CD1-CD2 4.35Å; I456-F481 HydrophobicContact CD1-CE2 3.25Å; I456-F481 HydrophobicContact CD1-CZ 3.37Å; L462-F481 HydrophobicContact CD2-CB 4.41Å; L462-F481 HydrophobicContact CD2-CD1 4.3Å; L462-F481 HydrophobicContact CD2-CD2 4.08Å; L462-F481 HydrophobicContact CD2-CG 3.97Å; L463-F481 HydrophobicContact CD1-CD1 4.26Å; L463-F481 HydrophobicContact CD1-CE1 3.96Å; L463-F481 HydrophobicContact CD2-CD1 3.85Å; L463-F481 HydrophobicContact CD2-CE1 4.38Å; I477-F481 WeakPolarHBondContact O-CB 3.32Å; I477-F481 PolarHBondContact O-N 2.87Å; K478-F481 PolarHBondContact O-N 3.38Å; T479-F481 VanDerWaalsContact C-N 3.32Å; T479-F481 PolarHBondContact O-N 3.02Å; F481-V483 VanDerWaalsContact C-N 3.28Å; F481-V483 PolarHBondContact O-N 2.54Å; F481-Q484 PolarHBondContact O-N 3.21Å; F481-L485 HydrophobicContact CE1-CD2 4.13Å; F481-L485 WeakPolarHBondContact O-CB 3.31Å; F481-L485 PolarHBondContact O-N 3.44Å; F481-V498 HydrophobicContact CZ-CG1 4.02Å
482	L	92.2	Very high	84.5	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-35.9	177	-65.1	166.6	0	0	0	111.3	L463 K478 T479 D486 A511 A512	L463-L482 HydrophobicContact CD2-CD2 4.38Å; K478-L482 HydrophobicContact CG-CD1 4.11Å; K478-L482 VanDerWaalsContact O-CG 3.24Å; K478-L482 WeakPolarHBondContact O-CG 3.22Å; K478-L482 PolarHBondContact O-N 3.12Å; K478-L482 VanDerWaalsContact O-N 3.09Å; T479-L482 PolarHBondContact O-N 3.31Å; L482-D486 VanDerWaalsContact O-CG 3.25Å; L482-D486 PolarHBondContact O-N 3.03Å; L482-A511 HydrophobicContact CD1-CB 4.43Å; L482-A512 HydrophobicContact CD2-CB 4.46Å
483	V	92.8	Very high	83.8	Confident	78 Å²	78	47.2 Å²	47.2	47%	0.473	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-42	174.3	167.5	0	0	0	0	112.3	T479 E480 F481 D486 G487	T479-V483 WeakPolarHBondContact O-CG2 3.39Å; T479-V483 PolarHBondContact O-N 3.44Å; E480-V483 PolarHBondContact O-N 3.04Å; F481-V483 VanDerWaalsContact C-N 3.28Å; F481-V483 PolarHBondContact O-N 2.54Å; V483-D486 PolarHBondContact O-N 3.46Å; V483-G487 PolarHBondContact O-N 3.45Å
484	Q	92.3	Very high	83.6	Confident	29 Å²	29	47.3 Å²	47.3	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-38	175.9	-72.1	-53.8	-43.5	0	0	112.5	V439 F443 E480 F481 G487 A488	V439-Q484 HydrophobicContact CG1-CB 4.5Å; V439-Q484 HydrophobicContact CG1-CG 4.05Å; F443-Q484 HydrophobicContact CB-CB 4.19Å; F443-Q484 HydrophobicContact CB-CG 4.23Å; F443-Q484 HydrophobicContact CD1-CB 3.91Å; F443-Q484 HydrophobicContact CD2-CB 3.59Å; F443-Q484 HydrophobicContact CD2-CG 4.06Å; F443-Q484 HydrophobicContact CE1-CB 4.1Å; F443-Q484 HydrophobicContact CE2-CB 3.79Å; F443-Q484 HydrophobicContact CG-CB 3.64Å; F443-Q484 HydrophobicContact CG-CG 4.15Å; F443-Q484 HydrophobicContact CZ-CB 4.04Å; E480-Q484 PolarHBondContact O-N 3.37Å; E480-Q484 PolarHBondContact OE1-NE2 3.06Å; F481-Q484 PolarHBondContact O-N 3.21Å; Q484-G487 PolarHBondContact O-N 2.81Å; Q484-A488 WeakPolarHBondContact O-CB 3.26Å; Q484-A488 PolarHBondContact O-N 2.81Å
485	L	90.6	Very high	83.6	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-43	174.7	-179.9	50.5	0	0	0	111.7	F481 A489 V498 R515 L516	F481-L485 HydrophobicContact CE1-CD2 4.13Å; F481-L485 WeakPolarHBondContact O-CB 3.31Å; F481-L485 PolarHBondContact O-N 3.44Å; L485-A489 WeakPolarHBondContact O-CB 3.21Å; L485-A489 PolarHBondContact O-N 3.26Å; L485-V498 HydrophobicContact CD1-CB 4.15Å; L485-V498 HydrophobicContact CD1-CG2 3.85Å; L485-R515 HydrophobicContact CD2-CB 3.67Å; L485-R515 HydrophobicContact CD2-CG 4.45Å; L485-R515 HydrophobicContact CG-CB 4.21Å; L485-L516 HydrophobicContact CD2-CD2 4.39Å
486	D	87	Confident	83.7	Confident	60 Å²	60	48.6 Å²	48.6	32%	0.321	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-37.7	173.6	-70	-18.2	0	0	0	112.5	L482 V483 A489 T490 R515	L482-D486 VanDerWaalsContact O-CG 3.25Å; L482-D486 PolarHBondContact O-N 3.03Å; V483-D486 PolarHBondContact O-N 3.46Å; D486-A489 PolarHBondContact O-N 2.84Å; D486-T490 WeakPolarHBondContact O-CB 3.28Å; D486-T490 PolarHBondContact O-N 3.31Å; D486-T490 PolarHBondContact O-OG1 3.5Å; D486-R515 WeakPolarHBondContact OD1-CD 3.32Å; D486-R515 IonicContact OD1-CZ 3.82Å; D486-R515 IonicContact OD1-NE 2.65Å; D486-R515 PolarHBondContact OD1-NE 2.92Å; D486-R515 IonicContact OD1-NH2 2.84Å; D486-R515 IonicContact OD2-CZ 3.84Å; D486-R515 VanDerWaalsContact OD2-CZ 3.31Å; D486-R515 IonicContact OD2-NE 3.38Å; D486-R515 PolarHBondContact OD2-NE 3.03Å; D486-R515 VanDerWaalsContact OD2-NE 3.11Å; D486-R515 IonicContact OD2-NH2 3.72Å; D486-R515 PolarHBondContact OD2-NH2 2.87Å
487	G	81.9	Confident	83.9	Confident	31 Å²	31	43 Å²	43	32%	0.32	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-47.5	176.5	0	0	0	0	0	112	V483 Q484 A489 T490 A491	V483-G487 PolarHBondContact O-N 3.45Å; Q484-G487 PolarHBondContact O-N 2.81Å; G487-A489 PolarHBondContact O-N 3.29Å; G487-T490 PolarHBondContact O-N 3.48Å; G487-T490 VanDerWaalsContact O-N 3.17Å; G487-A491 PolarHBondContact O-N 2.96Å; G487-A491 VanDerWaalsContact O-N 3.13Å
488	A	73.8	Confident	84	Confident	3 Å²	3	42.6 Å²	42.6	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-27.7	172.7	0	0	0	0	0	112.5	K392 F443 Q484	K392-A488 WeakPolarHBondContact CD-O 3.42Å; K392-A488 WeakPolarHBondContact CE-O 3.36Å; K392-A488 PolarHBondContact NZ-O 2.87Å; F443-A488 HydrophobicContact CD1-CB 4.32Å; F443-A488 HydrophobicContact CE1-CB 4.32Å; Q484-A488 WeakPolarHBondContact O-CB 3.26Å; Q484-A488 PolarHBondContact O-N 2.81Å
489	A	61.6	Low	84.2	Confident	46 Å²	46	42.6 Å²	42.6	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-75.9	-33.6	172.6	0	0	0	0	0	113.7	K392 L485 D486 G487	K392-A489 HydrophobicContact CB-CB 4.12Å; K392-A489 HydrophobicContact CD-CB 4.46Å; K392-A489 HydrophobicContact CG-CB 3.89Å; L485-A489 WeakPolarHBondContact O-CB 3.21Å; L485-A489 PolarHBondContact O-N 3.26Å; D486-A489 PolarHBondContact O-N 2.84Å; G487-A489 PolarHBondContact O-N 3.29Å
490	T	63.8	Low	84.4	Confident	120 Å²	120	39.8 Å²	39.8	74%	0.736	24%	0.241	S	C	*	.	H	α-helix	trans	-77.1	-34.7	-176.3	-55.4	0	0	0	0	112.5	D486 G487 A492	D486-T490 WeakPolarHBondContact O-CB 3.28Å; D486-T490 PolarHBondContact O-N 3.31Å; D486-T490 PolarHBondContact O-OG1 3.5Å; G487-T490 PolarHBondContact O-N 3.48Å; G487-T490 VanDerWaalsContact O-N 3.17Å; T490-A492 PolarHBondContact O-N 3.1Å
491	A	69.2	Low	84.6	Confident	36 Å²	36	38.1 Å²	38.1	30%	0.298	23%	0.233	S	C	.	.			trans	-70.2	112.1	170.3	0	0	0	0	0	110.1	K392 G487 D493 D494	K392-A491 PolarHBondContact NZ-O 3.35Å; G487-A491 PolarHBondContact O-N 2.96Å; G487-A491 VanDerWaalsContact O-N 3.13Å; A491-D493 PolarHBondContact O-N 2.95Å; A491-D494 HydrophobicContact CB-CB 3.78Å; A491-D494 PolarHBondContact O-N 3.15Å
492	A	62.4	Low	84.7	Confident	94 Å²	94	38 Å²	38	78%	0.777	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.4	178	0	0	0	0	0	111.9	T490	T490-A492 PolarHBondContact O-N 3.1Å
493	D	71.6	Confident	84.8	Confident	138 Å²	138	39.6 Å²	39.6	74%	0.738	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.3	-177.9	-48.3	-57.6	0	0	0	113.9	Q450 A491 R495	Q450-D493 PolarHBondContact OE1-O 2.88Å; A491-D493 PolarHBondContact O-N 2.95Å; D493-R495 PolarHBondContact O-N 3.36Å
494	D	82.6	Confident	84.9	Confident	21 Å²	21	42 Å²	42	11%	0.112	24%	0.242	C	C	.	.			trans	-71.3	100.6	-177.6	-98.4	2.7	0	0	0	110.9	K392 R447 Q450 A491 I496	K392-D494 PolarHBondContact NZ-O 2.99Å; R447-D494 IonicContact CZ-OD2 2.73Å; R447-D494 IonicContact NE-OD2 2.71Å; R447-D494 PolarHBondContact NE-OD2 3.4Å; R447-D494 IonicContact NH2-OD2 3.8Å; Q450-D494 PolarHBondContact NE2-OD1 3.45Å; A491-D494 HydrophobicContact CB-CB 3.78Å; A491-D494 PolarHBondContact O-N 3.15Å; D494-I496 PolarHBondContact O-N 3.47Å
495	R	87.6	Confident	85	Confident	114 Å²	114	40.6 Å²	40.6	43%	0.43	24%	0.235	S	C	.	.			trans	-85.1	60.9	176	-63.9	-179.7	-62.5	149.3	6.7	111.2	P451 A452 D493	P451-R495 WeakPolarHBondContact CA-O 3.38Å; P451-R495 HydrophobicContact CB-CB 4.19Å; A452-R495 PolarHBondContact N-O 3.13Å; D493-R495 PolarHBondContact O-N 3.36Å
496	I	92.6	Very high	85.1	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.9	176.9	-59.3	173.9	0	0	0	109.6	A446 R447 Q450 A452 I454 D494	A446-I496 HydrophobicContact CB-CD1 4.05Å; R447-I496 HydrophobicContact CB-CD1 4.37Å; R447-I496 HydrophobicContact CG-CD1 3.48Å; R447-I496 VanDerWaalsContact CG-CD1 3.48Å; Q450-I496 HydrophobicContact CG-CG1 4.11Å; A452-I496 HydrophobicContact CB-CG1 4.42Å; A452-I496 WeakPolarHBondContact O-CA 3.34Å; I454-I496 HydrophobicContact CD1-CG2 3.85Å; I454-I496 HydrophobicContact CG1-CG2 4.2Å; D494-I496 PolarHBondContact O-N 3.47Å
497	L	93.8	Very high	85.4	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.4	170.4	173.6	71.9	0	0	0	109.6	V374 P391 I394 I411 A452 V453 I454 V499	V374-L497 HydrophobicContact CG1-CD1 4.49Å; V374-L497 HydrophobicContact CG1-CD2 3.49Å; V374-L497 VanDerWaalsContact CG1-CD2 3.49Å; P391-L497 WeakPolarHBondContact O-CD1 3.39Å; I394-L497 HydrophobicContact CG1-CD1 4.45Å; I394-L497 HydrophobicContact CG2-CD1 4.22Å; I411-L497 HydrophobicContact CG2-CD2 3.69Å; A452-L497 PolarHBondContact O-N 2.78Å; V453-L497 CarbonylContact C-O 3.53Å; V453-L497 WeakPolarHBondContact CA-O 3.5Å; V453-L497 HydrophobicContact CG1-CD2 4.21Å; V453-L497 HydrophobicContact CG2-CB 4.38Å; V453-L497 HydrophobicContact CG2-CD2 4.15Å; I454-L497 PolarHBondContact N-O 3.46Å; L497-V499 HydrophobicContact CD2-CG2 3.61Å; L497-V499 HydrophobicContact CG-CG2 3.82Å
498	V	95.7	Very high	86	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129	165.5	174.7	0	0	0	0	110	K392 G393 I394 F443 I454 I456 F481 L485 L516	K392-V498 PolarHBondContact O-N 2.94Å; G393-V498 CarbonylContact C-O 3.56Å; G393-V498 WeakPolarHBondContact CA-O 3.48Å; I394-V498 PolarHBondContact N-O 3.43Å; F443-V498 HydrophobicContact CE1-CG2 4.02Å; F443-V498 HydrophobicContact CZ-CG2 3.87Å; I454-V498 HydrophobicContact CB-CG2 4.43Å; I454-V498 CarbonylContact O-C 3.6Å; I454-V498 WeakPolarHBondContact O-CA 3.48Å; I456-V498 HydrophobicContact CD1-CG1 4.23Å; F481-V498 HydrophobicContact CZ-CG1 4.02Å; L485-V498 HydrophobicContact CD1-CB 4.15Å; L485-V498 HydrophobicContact CD1-CG2 3.85Å; V498-L516 HydrophobicContact CG1-CD2 4.36Å
499	V	96.6	Very high	86.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	97.4	176.3	-174.5	0	0	0	0	108.2	I394 L396 V453 I454 F455 I456 L497	I394-V499 HydrophobicContact CD1-CG1 4.14Å; I394-V499 HydrophobicContact CD1-CG2 3.97Å; I394-V499 HydrophobicContact CG1-CB 4.2Å; I394-V499 HydrophobicContact CG1-CG1 4.02Å; I394-V499 HydrophobicContact CG1-CG2 3.92Å; L396-V499 HydrophobicContact CD1-CG1 3.86Å; L396-V499 HydrophobicContact CG-CG1 4.06Å; V453-V499 HydrophobicContact CG1-CG2 3.74Å; I454-V499 PolarHBondContact O-N 2.88Å; F455-V499 WeakPolarHBondContact CA-O 3.37Å; F455-V499 HydrophobicContact CD2-CB 3.96Å; F455-V499 HydrophobicContact CD2-CG1 3.68Å; F455-V499 HydrophobicContact CE2-CG1 4.09Å; I456-V499 PolarHBondContact N-O 3.15Å; L497-V499 HydrophobicContact CD2-CG2 3.61Å; L497-V499 HydrophobicContact CG-CG2 3.82Å
500	G	96.8	Very high	88.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.7	170.6	0	0	0	0	0	110.7	I394 L395 L396	I394-G500 PolarHBondContact O-N 3.35Å; L395-G500 CarbonylContact C-O 3.51Å; L395-G500 WeakPolarHBondContact CA-O 3.43Å; L396-G500 PolarHBondContact N-O 2.95Å
501	A	96.9	Very high	89.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.5	166.6	0	0	0	0	0	110.3	L396 K404 F455 I456 E458 I459	L396-A501 WeakPolarHBondContact O-CA 3.32Å; K404-A501 HydrophobicContact CB-CB 4.16Å; K404-A501 HydrophobicContact CD-CB 4.41Å; F455-A501 HydrophobicContact CE1-CB 4.31Å; F455-A501 HydrophobicContact CE2-CB 3.75Å; F455-A501 HydrophobicContact CZ-CB 3.4Å; F455-A501 VanDerWaalsContact CZ-CB 3.4Å; I456-A501 PolarHBondContact O-N 2.93Å; E458-A501 PolarHBondContact N-O 3.31Å; E458-A501 VanDerWaalsContact N-O 3.13Å; I459-A501 WeakPolarHBondContact CG2-O 3.22Å; I459-A501 PolarHBondContact N-O 3.4Å
502	T	96.2	Very high	90.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.5	-178.8	-175.9	0	0	0	0	112	L395 L396 F397 K404 D460 R504 P505	L395-T502 HydrophobicContact CD1-CG2 3.84Å; L395-T502 HydrophobicContact CD2-CG2 4.16Å; L395-T502 HydrophobicContact CG-CG2 4.17Å; L396-T502 PolarHBondContact O-N 2.82Å; F397-T502 HydrophobicContact CB-CG2 3.55Å; K404-T502 WeakPolarHBondContact CE-O 3.32Å; K404-T502 PolarHBondContact NZ-O 3.26Å; D460-T502 WeakPolarHBondContact OD1-CA 3.33Å; D460-T502 WeakPolarHBondContact OD1-CB 3.16Å; D460-T502 PolarHBondContact OD1-OG1 3.39Å; T502-R504 PolarHBondContact OG1-N 3.12Å; T502-P505 HydrophobicContact CG2-CB 3.97Å
503	N	95.6	Very high	91.8	Very high	43 Å²	43	37.7 Å²	37.7	23%	0.23	18%	0.176	C	C	.	.	S	Bend	trans	-102.3	-0.6	165	-55.6	-58.7	0	0	0	111.6	K404 Y620	K404-N503 PolarHBondContact NZ-OD1 2.77Å; N503-Y620 WeakPolarHBondContact O-CE1 3.29Å; N503-Y620 PolarHBondContact O-OH 2.76Å
504	R	94.6	Very high	92.7	Very high	128 Å²	128	39.2 Å²	39.2	48%	0.483	17%	0.172	S	C	.	.			trans	-140.8	63.1	-174.1	-54.5	-165.6	-173.5	179.8	5.2	112.2	D460 T502 Q506 E507	D460-R504 HydrophobicContact CB-CB 4.29Å; T502-R504 PolarHBondContact OG1-N 3.12Å; R504-Q506 VanDerWaalsContact CA-OE1 3.31Å; R504-Q506 PolarHBondContact O-N 3.37Å; R504-E507 HydrophobicContact CB-CB 4.35Å; R504-E507 HydrophobicContact CB-CG 4.08Å; R504-E507 VanDerWaalsContact CD-CD 3.44Å; R504-E507 WeakPolarHBondContact CD-OE1 3.31Å; R504-E507 IonicContact CZ-OE1 3.97Å; R504-E507 IonicContact NE-OE1 3.4Å; R504-E507 IonicContact NH1-OE1 2.63Å; R504-E507 PolarHBondContact NH1-OE1 3.36Å; R504-E507 IonicContact NH1-OE2 3.69Å; R504-E507 PolarHBondContact O-N 3.48Å
505	P	94.4	Very high	93.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.4	-174.8	31.2	-39.8	0	0	0	114	F397 T502 Y620 W623	F397-P505 HydrophobicContact CB-CB 3.84Å; F397-P505 HydrophobicContact CB-CG 4.05Å; F397-P505 HydrophobicContact CD2-CB 4.2Å; F397-P505 HydrophobicContact CD2-CG 3.85Å; F397-P505 HydrophobicContact CG-CB 4.08Å; F397-P505 HydrophobicContact CG-CG 4.19Å; T502-P505 HydrophobicContact CG2-CB 3.97Å; P505-Y620 HydrophobicContact CG-CD1 4.22Å; P505-W623 VanDerWaalsContact C-NE1 3.26Å; P505-W623 HydrophobicContact CB-CD2 3.74Å; P505-W623 HydrophobicContact CB-CE3 4.04Å; P505-W623 HydrophobicContact CB-CG 4.23Å; P505-W623 HydrophobicContact CB-CH2 4.05Å; P505-W623 HydrophobicContact CB-CZ2 3.71Å; P505-W623 HydrophobicContact CB-CZ3 4.21Å; P505-W623 HydrophobicContact CG-CD2 4Å; P505-W623 HydrophobicContact CG-CE3 4.4Å; P505-W623 HydrophobicContact CG-CG 4.04Å; P505-W623 WeakPolarHBondContact O-CZ2 3.31Å; P505-W623 PolarHBondContact O-NE1 2.7Å
506	Q	93.4	Very high	93.4	Very high	70 Å²	70	36.2 Å²	36.2	33%	0.327	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.9	171.4	71.5	-77.5	7.7	0	0	114.4	Q465 R504 I508	Q465-Q506 PolarHBondContact NE2-O 2.65Å; R504-Q506 VanDerWaalsContact CA-OE1 3.31Å; R504-Q506 PolarHBondContact O-N 3.37Å; Q506-I508 VanDerWaalsContact C-N 3.34Å
507	E	93.2	Very high	93.2	Very high	64 Å²	64	38.3 Å²	38.3	30%	0.299	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.1	178.6	-65.2	-174	-165.2	0	0	112.2	D460 S464 Q465 R504 D509	D460-E507 HydrophobicContact CB-CB 4.26Å; S464-E507 CarbonylContact C-O 3.53Å; S464-E507 VanDerWaalsContact CA-O 3.26Å; S464-E507 WeakPolarHBondContact CA-O 3.42Å; Q465-E507 WeakPolarHBondContact CG-O 3.41Å; Q465-E507 PolarHBondContact N-O 3.21Å; R504-E507 HydrophobicContact CB-CB 4.35Å; R504-E507 HydrophobicContact CB-CG 4.08Å; R504-E507 VanDerWaalsContact CD-CD 3.44Å; R504-E507 WeakPolarHBondContact CD-OE1 3.31Å; R504-E507 IonicContact CZ-OE1 3.97Å; R504-E507 IonicContact NE-OE1 3.4Å; R504-E507 IonicContact NH1-OE1 2.63Å; R504-E507 PolarHBondContact NH1-OE1 3.36Å; R504-E507 IonicContact NH1-OE2 3.69Å; R504-E507 PolarHBondContact O-N 3.48Å; E507-D509 PolarHBondContact O-N 3.34Å
508	I	93.2	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-68.8	124	179.9	-50.5	-72.6	0	0	0	111.1	I459 D460 Q506 A512 R513	I459-I508 HydrophobicContact CG2-CD1 3.91Å; D460-I508 HydrophobicContact CB-CD1 3.95Å; Q506-I508 VanDerWaalsContact C-N 3.34Å; I508-A512 HydrophobicContact CG2-CB 3.6Å; I508-R513 HydrophobicContact CB-CG 4.25Å; I508-R513 HydrophobicContact CG2-CG 3.8Å; I508-R513 PolarHBondContact O-NE 3.11Å; I508-R513 VanDerWaalsContact O-NE 3.13Å
509	D	90.4	Very high	93	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.102	20%	0.203	C	C	.	.			trans	-67.3	168.6	179.4	93.3	-11.1	0	0	0	113.9	L463 K478 E507 A511 A512 R513	L463-D509 PolarHBondContact O-N 3.3Å; L463-D509 VanDerWaalsContact O-N 3.08Å; K478-D509 VanDerWaalsContact CE-OD2 3.29Å; K478-D509 WeakPolarHBondContact CE-OD2 3.49Å; K478-D509 IonicContact NZ-OD1 2.74Å; K478-D509 IonicContact NZ-OD2 3.46Å; K478-D509 PolarHBondContact NZ-OD2 3.24Å; E507-D509 PolarHBondContact O-N 3.34Å; D509-A511 VanDerWaalsContact C-N 3.32Å; D509-A511 PolarHBondContact O-N 3.36Å; D509-A511 WeakPolarHBondContact OD1-CA 3.35Å; D509-A511 WeakPolarHBondContact OD1-CB 3.43Å; D509-A511 PolarHBondContact OD1-N 2.65Å; D509-A512 WeakPolarHBondContact OD1-CB 3.47Å; D509-A512 PolarHBondContact OD1-N 3.23Å; D509-R513 WeakPolarHBondContact O-CB 3.5Å; D509-R513 WeakPolarHBondContact O-CG 3.46Å; D509-R513 PolarHBondContact O-N 2.71Å; D509-R513 PolarHBondContact O-NE 3.23Å
510	E	90	Very high	93	Very high	102 Å²	102	44.6 Å²	44.6	48%	0.477	20%	0.204	S	C	.	.	H	α-helix	trans	-68.3	-31.4	-178.6	-146	-147.5	140.9	0	0	112.8	R513 R514	E510-R513 PolarHBondContact O-N 3.15Å; E510-R514 WeakPolarHBondContact O-CB 3.46Å; E510-R514 VanDerWaalsContact O-CG 3.23Å; E510-R514 WeakPolarHBondContact O-CG 3.36Å; E510-R514 PolarHBondContact O-N 3.47Å; E510-R514 IonicContact OE1-CZ 3.34Å; E510-R514 IonicContact OE1-NE 3.46Å; E510-R514 PolarHBondContact OE1-NE 2.96Å; E510-R514 IonicContact OE1-NH2 2.7Å; E510-R514 PolarHBondContact OE1-NH2 3.36Å; E510-R514 IonicContact OE2-CZ 3.28Å; E510-R514 IonicContact OE2-NE 2.82Å; E510-R514 IonicContact OE2-NH2 3.5Å; E510-R514 PolarHBondContact OE2-NH2 3.34Å; E510-R514 VanDerWaalsContact OE2-NH2 3.12Å
511	A	90.3	Very high	92.9	Very high	31 Å²	31	46.5 Å²	46.5	26%	0.256	21%	0.211	S	C	.	.	H	α-helix	trans	-69.3	-37.4	-178.7	0	0	0	0	0	112	L482 D509 R515	L482-A511 HydrophobicContact CD1-CB 4.43Å; D509-A511 VanDerWaalsContact C-N 3.32Å; D509-A511 PolarHBondContact O-N 3.36Å; D509-A511 WeakPolarHBondContact OD1-CA 3.35Å; D509-A511 WeakPolarHBondContact OD1-CB 3.43Å; D509-A511 PolarHBondContact OD1-N 2.65Å; A511-R515 PolarHBondContact O-NH1 3.44Å
512	A	90.8	Very high	92.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-70.4	-47.9	171.1	0	0	0	0	0	111.3	L463 L482 I508 D509 R514 R515 L516	L463-A512 HydrophobicContact CB-CB 3.8Å; L463-A512 HydrophobicContact CD1-CB 3.62Å; L463-A512 HydrophobicContact CG-CB 4.17Å; L482-A512 HydrophobicContact CD2-CB 4.46Å; I508-A512 HydrophobicContact CG2-CB 3.6Å; D509-A512 WeakPolarHBondContact OD1-CB 3.47Å; D509-A512 PolarHBondContact OD1-N 3.23Å; A512-R514 VanDerWaalsContact C-N 3.26Å; A512-R514 PolarHBondContact O-N 3.46Å; A512-R515 PolarHBondContact O-N 2.91Å; A512-L516 PolarHBondContact O-N 2.91Å
513	R	91.6	Very high	92.7	Very high	48 Å²	48	48.6 Å²	48.6	18%	0.181	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-37.4	176.8	-76.8	-177.8	-71.7	156.4	-2.2	112.9	I508 D509 E510 R515 L516 R519 W623 F627	I508-R513 HydrophobicContact CB-CG 4.25Å; I508-R513 HydrophobicContact CG2-CG 3.8Å; I508-R513 PolarHBondContact O-NE 3.11Å; I508-R513 VanDerWaalsContact O-NE 3.13Å; D509-R513 WeakPolarHBondContact O-CB 3.5Å; D509-R513 WeakPolarHBondContact O-CG 3.46Å; D509-R513 PolarHBondContact O-N 2.71Å; D509-R513 PolarHBondContact O-NE 3.23Å; E510-R513 PolarHBondContact O-N 3.15Å; R513-R515 VanDerWaalsContact C-N 3.34Å; R513-R515 PolarHBondContact O-N 3.49Å; R513-L516 CarbonylContact O-C 3.41Å; R513-R519 PolarHBondContact O-NH2 3.42Å; R513-W623 HydrophobicContact CG-CZ2 4.43Å; R513-F627 VanDerWaalsContact NH1-CE1 3.3Å
514	R	90.9	Very high	92.7	Very high	170 Å²	170	47.9 Å²	47.9	64%	0.642	22%	0.221	S	C	*	.	H	α-helix	trans	-62.6	-35	175.3	-75.6	172.3	-174.2	-166.8	9.1	113.3	E510 A512	E510-R514 WeakPolarHBondContact O-CB 3.46Å; E510-R514 VanDerWaalsContact O-CG 3.23Å; E510-R514 WeakPolarHBondContact O-CG 3.36Å; E510-R514 PolarHBondContact O-N 3.47Å; E510-R514 IonicContact OE1-CZ 3.34Å; E510-R514 IonicContact OE1-NE 3.46Å; E510-R514 PolarHBondContact OE1-NE 2.96Å; E510-R514 IonicContact OE1-NH2 2.7Å; E510-R514 PolarHBondContact OE1-NH2 3.36Å; E510-R514 IonicContact OE2-CZ 3.28Å; E510-R514 IonicContact OE2-NE 2.82Å; E510-R514 IonicContact OE2-NH2 3.5Å; E510-R514 PolarHBondContact OE2-NH2 3.34Å; E510-R514 VanDerWaalsContact OE2-NH2 3.12Å; A512-R514 VanDerWaalsContact C-N 3.26Å; A512-R514 PolarHBondContact O-N 3.46Å
515	R	91.8	Very high	92.8	Very high	71 Å²	71	42.7 Å²	42.7	27%	0.268	20%	0.204	S	C	.	.	H	α-helix	trans	-86.9	-37.1	-179	-67.2	170.3	177	83.9	-2	113	L485 D486 A511 A512 R513 A517	L485-R515 HydrophobicContact CD2-CB 3.67Å; L485-R515 HydrophobicContact CD2-CG 4.45Å; L485-R515 HydrophobicContact CG-CB 4.21Å; D486-R515 WeakPolarHBondContact OD1-CD 3.32Å; D486-R515 IonicContact OD1-CZ 3.82Å; D486-R515 IonicContact OD1-NE 2.65Å; D486-R515 PolarHBondContact OD1-NE 2.92Å; D486-R515 IonicContact OD1-NH2 2.84Å; D486-R515 IonicContact OD2-CZ 3.84Å; D486-R515 VanDerWaalsContact OD2-CZ 3.31Å; D486-R515 IonicContact OD2-NE 3.38Å; D486-R515 PolarHBondContact OD2-NE 3.03Å; D486-R515 VanDerWaalsContact OD2-NE 3.11Å; D486-R515 IonicContact OD2-NH2 3.72Å; D486-R515 PolarHBondContact OD2-NH2 2.87Å; A511-R515 PolarHBondContact O-NH1 3.44Å; A512-R515 PolarHBondContact O-N 2.91Å; R513-R515 VanDerWaalsContact C-N 3.34Å; R513-R515 PolarHBondContact O-N 3.49Å; R515-A517 PolarHBondContact O-N 3.03Å
516	L	92.8	Very high	92.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-78.6	67.7	168.9	-55.6	-179.7	0	0	0	108.9	L395 I459 L485 V498 A512 R513 K518 R519	L395-L516 HydrophobicContact CB-CB 4.11Å; L395-L516 HydrophobicContact CB-CD1 4.1Å; L395-L516 HydrophobicContact CD1-CD1 3.84Å; L395-L516 HydrophobicContact CG-CD1 4.45Å; I459-L516 HydrophobicContact CD1-CD1 4.23Å; L485-L516 HydrophobicContact CD2-CD2 4.39Å; V498-L516 HydrophobicContact CG1-CD2 4.36Å; A512-L516 PolarHBondContact O-N 2.91Å; R513-L516 CarbonylContact O-C 3.41Å; L516-K518 VanDerWaalsContact C-N 3.26Å; L516-K518 PolarHBondContact O-N 3.27Å; L516-R519 PolarHBondContact O-NE 3.42Å
517	A	87.7	Confident	92.8	Very high	53 Å²	53	49.3 Å²	49.3	44%	0.438	24%	0.243	S	C	.	.			trans	-64.6	-27.1	-164	0	0	0	0	0	114	G393 R515	G393-A517 PolarHBondContact O-N 3.22Å; R515-A517 PolarHBondContact O-N 3.03Å
518	K	91.9	Very high	92.9	Very high	84 Å²	84	48.3 Å²	48.3	37%	0.365	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.4	176.2	-67	-76.3	-171.4	175.5	0	108.9	I373 P391 I394 L395 L516	I373-K518 HydrophobicContact CD1-CB 4.2Å; I373-K518 HydrophobicContact CD1-CD 4.13Å; I373-K518 HydrophobicContact CD1-CG 3.92Å; P391-K518 HydrophobicContact CB-CG 4.3Å; P391-K518 HydrophobicContact CG-CG 4.36Å; I394-K518 CarbonylContact C-O 3.55Å; I394-K518 VanDerWaalsContact CA-O 3.29Å; I394-K518 WeakPolarHBondContact CA-O 3.32Å; I394-K518 HydrophobicContact CG2-CB 4.11Å; L395-K518 PolarHBondContact N-O 2.96Å; L516-K518 VanDerWaalsContact C-N 3.26Å; L516-K518 PolarHBondContact O-N 3.27Å
519	R	94.9	Very high	93	Very high	47 Å²	47	48.7 Å²	48.7	18%	0.177	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.3	177.5	-41.6	100.3	-162.2	177.1	3.7	109.8	L395 F397 R513 L516 W623 F627 G628 C629	L395-R519 HydrophobicContact CB-CB 4.04Å; L395-R519 HydrophobicContact CB-CG 3.83Å; L395-R519 HydrophobicContact CD2-CB 4.34Å; L395-R519 HydrophobicContact CD2-CG 4.08Å; L395-R519 CarbonylContact O-C 3.49Å; L395-R519 VanDerWaalsContact O-CA 3.28Å; L395-R519 WeakPolarHBondContact O-CA 3.46Å; F397-R519 HydrophobicContact CD1-CB 4.04Å; F397-R519 HydrophobicContact CE1-CB 3.83Å; R513-R519 PolarHBondContact O-NH2 3.42Å; L516-R519 PolarHBondContact O-NE 3.42Å; R519-W623 HydrophobicContact CB-CH2 4.22Å; R519-W623 HydrophobicContact CB-CZ3 4.01Å; R519-W623 HydrophobicContact CG-CH2 4.08Å; R519-W623 HydrophobicContact CG-CZ3 4.37Å; R519-F627 WeakPolarHBondContact CD-O 3.38Å; R519-F627 PolarHBondContact NH1-O 3.17Å; R519-G628 CarbonylContact O-C 3.6Å; R519-C629 PolarHBondContact N-SG 3.48Å; R519-C629 WeakPolarHBondContact O-CB 3.4Å; R519-C629 PolarHBondContact O-N 2.87Å; R519-C629 PolarHBondContact O-SG 3.1Å
520	L	94.8	Very high	93.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.9	-175	-63.4	170.9	0	0	0	109.6	F365 T369 I370 L395 L396 F397 C629	F365-L520 HydrophobicContact CE1-CD2 4.48Å; T369-L520 HydrophobicContact CG2-CD2 3.88Å; I370-L520 HydrophobicContact CD1-CD1 3.67Å; I370-L520 HydrophobicContact CG1-CD1 3.44Å; I370-L520 VanDerWaalsContact CG1-CD1 3.44Å; L395-L520 PolarHBondContact O-N 2.96Å; L396-L520 HydrophobicContact CD2-CB 4.08Å; L396-L520 HydrophobicContact CD2-CD1 4.2Å; F397-L520 VanDerWaalsContact CD1-O 3.27Å; F397-L520 WeakPolarHBondContact CD1-O 3.43Å; F397-L520 PolarHBondContact N-O 3.47Å; L520-C629 HydrophobicContact CD2-CB 4.12Å
521	Y	95.3	Very high	93.5	Very high	40 Å²	40	49.2 Å²	49.2	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.7	170.3	-177.5	-148	0	0	0	109.5	F397 P523 Y620 E621 N624	F397-Y521 HydrophobicContact CD2-CD2 4.1Å; F397-Y521 AromaticContact CE2-CD2 3.82Å; F397-Y521 HydrophobicContact CE2-CD2 3.82Å; F397-Y521 HydrophobicContact CE2-CG 4.05Å; F397-Y521 HydrophobicContact CZ-CG 4.34Å; F397-Y521 CarbonylContact O-C 3.53Å; F397-Y521 WeakPolarHBondContact O-CA 3.28Å; Y521-P523 HydrophobicContact CD1-CB 4.33Å; Y521-P523 HydrophobicContact CE1-CB 3.78Å; Y521-P523 HydrophobicContact CE1-CG 4.44Å; Y521-P523 HydrophobicContact CE2-CB 4.31Å; Y521-P523 WeakPolarHBondContact O-CD 3.4Å; Y521-Y620 HydrophobicContact CE2-CG 4.16Å; Y521-E621 HydrophobicContact CE1-CG 4.28Å; Y521-N624 HydrophobicContact CD1-CB 4.39Å; Y521-N624 HydrophobicContact CG-CB 4.38Å
522	V	95.7	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.			trans	-118.9	81.8	177.8	-168.9	0	0	0	0	107.6	L363 L396 F397 T402 K404 I407	L363-V522 HydrophobicContact CD1-CG1 3.76Å; L363-V522 HydrophobicContact CD2-CG1 4.12Å; L396-V522 HydrophobicContact CB-CG2 4.26Å; F397-V522 PolarHBondContact O-N 2.93Å; T402-V522 WeakPolarHBondContact CB-O 3.43Å; T402-V522 WeakPolarHBondContact O-CG1 3.35Å; T402-V522 WeakPolarHBondContact OG1-CG1 3.39Å; T402-V522 PolarHBondContact OG1-O 3.22Å; K404-V522 HydrophobicContact CG-CB 4.1Å; K404-V522 HydrophobicContact CG-CG1 4.28Å; K404-V522 HydrophobicContact CG-CG2 4.12Å; I407-V522 HydrophobicContact CD1-CG1 3.83Å; I407-V522 HydrophobicContact CD1-CG2 4.03Å
523	P	94.5	Very high	93.9	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	26%	0.255	S	S	.	.			trans	-67.3	175	-175.4	27.9	-37.2	0	0	0	113.4	L363 T402 Y521	L363-P523 HydrophobicContact CD2-CG 4.04Å; T402-P523 WeakPolarHBondContact CB-O 3.15Å; T402-P523 VanDerWaalsContact CG2-O 3.27Å; T402-P523 WeakPolarHBondContact CG2-O 3.26Å; Y521-P523 HydrophobicContact CD1-CB 4.33Å; Y521-P523 HydrophobicContact CE1-CB 3.78Å; Y521-P523 HydrophobicContact CE1-CG 4.44Å; Y521-P523 HydrophobicContact CE2-CB 4.31Å; Y521-P523 WeakPolarHBondContact O-CD 3.4Å
524	L	95.2	Very high	94.1	Very high	28 Å²	28	49.2 Å²	49.2	15%	0.147	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-60.1	149.4	166	-64.7	177.7	0	0	0	111.2	P399 T402 E526 V612 L617	P399-L524 HydrophobicContact CB-CD2 4.47Å; P399-L524 HydrophobicContact CG-CD2 3.95Å; P399-L524 HydrophobicContact CG-CG 4.11Å; T402-L524 HydrophobicContact CG2-CD2 4.11Å; L524-E526 PolarHBondContact O-N 3.42Å; L524-V612 HydrophobicContact CD2-CB 4.47Å; L524-V612 HydrophobicContact CD2-CG2 4.19Å; L524-L617 HydrophobicContact CD1-CD1 3.8Å; L524-L617 HydrophobicContact CD1-CD2 3.83Å; L524-L617 HydrophobicContact CD1-CG 4.43Å; L524-L617 HydrophobicContact CG-CD2 4.04Å
525	P	95.2	Very high	94.3	Very high	19 Å²	19	44.3 Å²	44.3	12%	0.123	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-66.8	124.1	179.6	26.7	-35	0	0	0	112.7	A529 R530 I533 F560	P525-A529 HydrophobicContact CB-CB 3.77Å; P525-R530 HydrophobicContact CB-CG 3.86Å; P525-R530 HydrophobicContact CG-CG 3.81Å; P525-R530 WeakPolarHBondContact O-CG 3.42Å; P525-R530 PolarHBondContact O-NH1 2.91Å; P525-I533 HydrophobicContact CB-CD1 4.26Å; P525-I533 HydrophobicContact CG-CD1 4.35Å; P525-F560 WeakPolarHBondContact CD-O 3.4Å; P525-F560 WeakPolarHBondContact CG-O 3.49Å
526	E	94.4	Very high	94.3	Very high	159 Å²	159	44 Å²	44	74%	0.743	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-58.7	165.1	166.5	-66.3	-177.1	-161.2	0	0	112.1	L524 G528 A529 R530	L524-E526 PolarHBondContact O-N 3.42Å; E526-G528 VanDerWaalsContact C-N 3.29Å; E526-G528 PolarHBondContact O-N 3.35Å; E526-A529 CarbonylContact O-C 3.58Å; E526-A529 WeakPolarHBondContact O-CA 3.43Å; E526-A529 WeakPolarHBondContact O-CB 3.44Å; E526-A529 PolarHBondContact O-N 3.4Å; E526-R530 PolarHBondContact O-N 2.96Å
527	A	95.2	Very high	94.3	Very high	50 Å²	50	46.7 Å²	46.7	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-52	-43.8	-178.6	0	0	0	0	0	113.4	A529 R530 R531 V554	A527-A529 VanDerWaalsContact C-N 3.34Å; A527-A529 PolarHBondContact O-N 3.17Å; A527-R530 PolarHBondContact O-N 3.09Å; A527-R531 WeakPolarHBondContact O-CB 3.48Å; A527-R531 PolarHBondContact O-N 3.39Å; A527-V554 HydrophobicContact CB-CG1 3.69Å; A527-V554 WeakPolarHBondContact O-CG1 3.5Å
528	G	94.9	Very high	94.6	Very high	44 Å²	44	44.5 Å²	44.5	45%	0.454	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-38.1	176	0	0	0	0	0	113.5	E526 Q532	E526-G528 VanDerWaalsContact C-N 3.29Å; E526-G528 PolarHBondContact O-N 3.35Å; G528-Q532 PolarHBondContact O-N 3.28Å
529	A	95.1	Very high	94.5	Very high	7 Å²	7	44.6 Å²	44.6	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-71.8	-42.2	176.1	0	0	0	0	0	111.7	A361 P525 E526 A527 R531 Q532 I533	A361-A529 HydrophobicContact CB-CB 4.17Å; P525-A529 HydrophobicContact CB-CB 3.77Å; E526-A529 CarbonylContact O-C 3.58Å; E526-A529 WeakPolarHBondContact O-CA 3.43Å; E526-A529 WeakPolarHBondContact O-CB 3.44Å; E526-A529 PolarHBondContact O-N 3.4Å; A527-A529 VanDerWaalsContact C-N 3.34Å; A527-A529 PolarHBondContact O-N 3.17Å; A529-R531 VanDerWaalsContact C-N 3.29Å; A529-R531 PolarHBondContact O-N 2.63Å; A529-Q532 WeakPolarHBondContact O-CB 3.45Å; A529-Q532 PolarHBondContact O-N 3.2Å; A529-Q532 VanDerWaalsContact O-N 3.14Å; A529-I533 WeakPolarHBondContact O-CG1 3.46Å; A529-I533 PolarHBondContact O-N 3.44Å
530	R	95.9	Very high	94.2	Very high	22 Å²	22	51.5 Å²	51.5	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-42.8	173	-66.2	-163.3	-55.2	-90.8	12.8	111.2	P525 E526 A527 I533 V534 V554 T557 M565	P525-R530 HydrophobicContact CB-CG 3.86Å; P525-R530 HydrophobicContact CG-CG 3.81Å; P525-R530 WeakPolarHBondContact O-CG 3.42Å; P525-R530 PolarHBondContact O-NH1 2.91Å; E526-R530 PolarHBondContact O-N 2.96Å; A527-R530 PolarHBondContact O-N 3.09Å; R530-I533 PolarHBondContact O-N 3.41Å; R530-V534 WeakPolarHBondContact O-CG2 3.48Å; R530-V534 PolarHBondContact O-N 3.31Å; R530-V534 VanDerWaalsContact O-N 3.09Å; R530-V554 HydrophobicContact CB-CG1 4.49Å; R530-V554 PolarHBondContact NE-O 3.46Å; R530-V554 PolarHBondContact NH2-O 3.05Å; R530-T557 WeakPolarHBondContact CD-O 3.47Å; R530-T557 PolarHBondContact NE-O 2.98Å; R530-T557 VanDerWaalsContact NE-O 3.08Å; R530-T557 PolarHBondContact NE-OG1 3.42Å; R530-M565 HydrophobicContact CB-CE 4Å; R530-M565 HydrophobicContact CB-SD 4.34Å; R530-M565 HydrophobicContact CG-CE 4.47Å; R530-M565 HydrophobicContact CG-CG 4.19Å; R530-M565 HydrophobicContact CG-SD 4.17Å
531	R	95.4	Very high	93.9	Very high	111 Å²	111	56.1 Å²	56.1	42%	0.419	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-45.8	173.9	-162.8	176.8	68	-169.5	-2.2	112	A527 A529 I533 V534 T535 L550 E551 V554	A527-R531 WeakPolarHBondContact O-CB 3.48Å; A527-R531 PolarHBondContact O-N 3.39Å; A529-R531 VanDerWaalsContact C-N 3.29Å; A529-R531 PolarHBondContact O-N 2.63Å; R531-I533 PolarHBondContact O-N 3.16Å; R531-V534 PolarHBondContact O-N 2.97Å; R531-T535 WeakPolarHBondContact O-CB 3.36Å; R531-T535 PolarHBondContact O-N 3.21Å; R531-T535 PolarHBondContact O-OG1 3.28Å; R531-L550 HydrophobicContact CG-CD1 4.35Å; R531-L550 HydrophobicContact CG-CD2 3.79Å; R531-L550 HydrophobicContact CG-CG 3.97Å; R531-E551 WeakPolarHBondContact CD-OE1 3.37Å; R531-E551 IonicContact CZ-OE1 3.61Å; R531-E551 IonicContact NE-OE1 3.74Å; R531-E551 IonicContact NH1-OE1 2.7Å; R531-E551 PolarHBondContact NH1-OE1 3.24Å; R531-V554 HydrophobicContact CB-CG2 3.74Å; R531-V554 HydrophobicContact CG-CG2 4.1Å
532	Q	95	Very high	93.6	Very high	54 Å²	54	61.8 Å²	61.8	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.2	-175.6	-176.3	-6.9	0	0	112.1	D358 A361 G528 A529 T535 N536	D358-Q532 PolarHBondContact O-NE2 2.8Å; A361-Q532 HydrophobicContact CB-CB 4.07Å; A361-Q532 HydrophobicContact CB-CG 4.11Å; G528-Q532 PolarHBondContact O-N 3.28Å; A529-Q532 WeakPolarHBondContact O-CB 3.45Å; A529-Q532 PolarHBondContact O-N 3.2Å; A529-Q532 VanDerWaalsContact O-N 3.14Å; Q532-T535 PolarHBondContact O-N 3.46Å; Q532-N536 VanDerWaalsContact O-CB 3.27Å; Q532-N536 WeakPolarHBondContact O-CB 3.37Å; Q532-N536 VanDerWaalsContact O-CG 3.27Å; Q532-N536 PolarHBondContact O-N 2.75Å; Q532-N536 PolarHBondContact O-OD1 2.76Å
533	I	94.9	Very high	93.4	Very high	25 Å²	25	64 Å²	64	13%	0.128	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-51.8	176.5	-65.1	166.3	0	0	0	110.7	A361 P525 A529 R530 R531 T535 N536 L537 M565	A361-I533 HydrophobicContact CB-CD1 4.12Å; A361-I533 HydrophobicContact CB-CG1 3.49Å; A361-I533 VanDerWaalsContact CB-CG1 3.49Å; P525-I533 HydrophobicContact CB-CD1 4.26Å; P525-I533 HydrophobicContact CG-CD1 4.35Å; A529-I533 WeakPolarHBondContact O-CG1 3.46Å; A529-I533 PolarHBondContact O-N 3.44Å; R530-I533 PolarHBondContact O-N 3.41Å; R531-I533 PolarHBondContact O-N 3.16Å; I533-T535 PolarHBondContact O-N 2.74Å; I533-N536 PolarHBondContact O-N 3.19Å; I533-L537 HydrophobicContact CG2-CD1 3.73Å; I533-L537 HydrophobicContact CG2-CG 4.39Å; I533-L537 WeakPolarHBondContact O-CB 3.27Å; I533-L537 WeakPolarHBondContact O-CG 3.42Å; I533-L537 PolarHBondContact O-N 2.93Å; I533-M565 HydrophobicContact CD1-CB 4.27Å; I533-M565 HydrophobicContact CD1-CG 4.4Å; I533-M565 HydrophobicContact CG2-CB 3.84Å
534	V	95.1	Very high	93.2	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-44.8	-179.6	-177.6	0	0	0	0	110.8	R530 R531 L537 M538 L545 L550 M565 F601	R530-V534 WeakPolarHBondContact O-CG2 3.48Å; R530-V534 PolarHBondContact O-N 3.31Å; R530-V534 VanDerWaalsContact O-N 3.09Å; R531-V534 PolarHBondContact O-N 2.97Å; V534-L537 PolarHBondContact O-N 3.28Å; V534-M538 HydrophobicContact CG1-CG 3.87Å; V534-M538 VanDerWaalsContact O-CB 3.22Å; V534-M538 WeakPolarHBondContact O-CB 3.35Å; V534-M538 WeakPolarHBondContact O-CG 3.42Å; V534-M538 PolarHBondContact O-N 3.25Å; V534-L545 HydrophobicContact CG1-CD1 4.46Å; V534-L550 HydrophobicContact CB-CD1 3.75Å; V534-L550 HydrophobicContact CG1-CD1 3.58Å; V534-M565 HydrophobicContact CG2-CE 3.36Å; V534-F601 HydrophobicContact CG1-CE1 4.24Å; V534-F601 HydrophobicContact CG1-CZ 4.19Å
535	T	93.9	Very high	92.9	Very high	66 Å²	66	68.5 Å²	68.5	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-48.3	176.8	-60.6	0	0	0	0	112	R531 Q532 I533 L537 A539	R531-T535 WeakPolarHBondContact O-CB 3.36Å; R531-T535 PolarHBondContact O-N 3.21Å; R531-T535 PolarHBondContact O-OG1 3.28Å; Q532-T535 PolarHBondContact O-N 3.46Å; I533-T535 PolarHBondContact O-N 2.74Å; T535-L537 PolarHBondContact O-N 3.43Å; T535-A539 WeakPolarHBondContact O-CB 3.47Å; T535-A539 PolarHBondContact O-N 3Å
536	N	92.8	Very high	92.7	Very high	65 Å²	65	75.9 Å²	75.9	35%	0.348	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-33.9	-176.8	-75.7	10.8	0	0	0	112.9	D358 Q532 I533	D358-N536 PolarHBondContact O-ND2 2.74Å; Q532-N536 VanDerWaalsContact O-CB 3.27Å; Q532-N536 WeakPolarHBondContact O-CB 3.37Å; Q532-N536 VanDerWaalsContact O-CG 3.27Å; Q532-N536 PolarHBondContact O-N 2.75Å; Q532-N536 PolarHBondContact O-OD1 2.76Å; I533-N536 PolarHBondContact O-N 3.19Å
537	L	93.1	Very high	92.4	Very high	57 Å²	57	70.9 Å²	70.9	30%	0.298	36%	0.364	S	S	.	.	H	α-helix	trans	-75.6	-48.8	175.4	-67.4	175.9	0	0	0	111.3	I533 V534 T535 A539 R540 T566 C569	I533-L537 HydrophobicContact CG2-CD1 3.73Å; I533-L537 HydrophobicContact CG2-CG 4.39Å; I533-L537 WeakPolarHBondContact O-CB 3.27Å; I533-L537 WeakPolarHBondContact O-CG 3.42Å; I533-L537 PolarHBondContact O-N 2.93Å; V534-L537 PolarHBondContact O-N 3.28Å; T535-L537 PolarHBondContact O-N 3.43Å; L537-A539 VanDerWaalsContact C-N 3.28Å; L537-A539 PolarHBondContact O-N 3.48Å; L537-R540 PolarHBondContact O-N 3.32Å; L537-T566 HydrophobicContact CD1-CG2 4.15Å; L537-C569 HydrophobicContact CB-CB 4.33Å; L537-C569 HydrophobicContact CD1-CB 3.78Å
538	M	92.6	Very high	92.3	Very high	8 Å²	8	76.5 Å²	76.5	4%	0.039	38%	0.382	C	S	.	.	H	α-helix	trans	-67.8	-24.4	-179.7	-65.7	-68.5	96.2	0	0	113.2	V534 R540 E541 N543 L545 C569 I596 F601	V534-M538 HydrophobicContact CG1-CG 3.87Å; V534-M538 VanDerWaalsContact O-CB 3.22Å; V534-M538 WeakPolarHBondContact O-CB 3.35Å; V534-M538 WeakPolarHBondContact O-CG 3.42Å; V534-M538 PolarHBondContact O-N 3.25Å; M538-R540 PolarHBondContact O-N 3.2Å; M538-R540 VanDerWaalsContact O-N 3.1Å; M538-E541 HydrophobicContact CE-CB 4.41Å; M538-E541 HydrophobicContact CE-CG 4.18Å; M538-E541 PolarHBondContact O-N 3.01Å; M538-N543 PolarHBondContact O-ND2 2.9Å; M538-N543 HydrophobicContact SD-CB 4.27Å; M538-L545 HydrophobicContact CB-CD1 4.44Å; M538-L545 HydrophobicContact CG-CD1 3.78Å; M538-L545 HydrophobicContact SD-CD1 4.1Å; M538-C569 HydrophobicContact CE-CB 3.99Å; M538-I596 HydrophobicContact CE-CD1 4.05Å; M538-I596 HydrophobicContact SD-CD1 3.92Å; M538-F601 HydrophobicContact CE-CZ 4.37Å; M538-F601 HydrophobicContact CG-CZ 4.24Å; M538-F601 HydrophobicContact SD-CE2 3.94Å; M538-F601 HydrophobicContact SD-CZ 3.73Å
539	A	90.8	Very high	92.2	Very high	85 Å²	85	75.8 Å²	75.8	70%	0.702	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.7	173.2	0	0	0	0	0	114.2	T535 L537	T535-A539 WeakPolarHBondContact O-CB 3.47Å; T535-A539 PolarHBondContact O-N 3Å; L537-A539 VanDerWaalsContact C-N 3.28Å; L537-A539 PolarHBondContact O-N 3.48Å
540	R	88.1	Confident	92.2	Very high	192 Å²	192	76.7 Å²	76.7	73%	0.725	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.1	174.2	-55.6	-175.4	-174.1	-166.8	0.8	113.1	L537 M538	L537-R540 PolarHBondContact O-N 3.32Å; M538-R540 PolarHBondContact O-N 3.2Å; M538-R540 VanDerWaalsContact O-N 3.1Å
541	E	89.9	Confident	92.1	Very high	101 Å²	101	79.7 Å²	79.7	47%	0.472	39%	0.386	S	S	.	.	S	Bend	trans	-121.1	149.5	-168.5	-61.7	-61.9	164.5	0	0	112.6	M538 N543 I596	M538-E541 HydrophobicContact CE-CB 4.41Å; M538-E541 HydrophobicContact CE-CG 4.18Å; M538-E541 PolarHBondContact O-N 3.01Å; E541-N543 PolarHBondContact O-N 3.47Å; E541-N543 PolarHBondContact O-ND2 3.02Å; E541-N543 VanDerWaalsContact O-ND2 3.08Å; E541-I596 HydrophobicContact CB-CD1 3.87Å; E541-I596 HydrophobicContact CG-CD1 4.39Å
542	R	88.4	Confident	92.1	Very high	159 Å²	159	76.9 Å²	76.9	60%	0.6	38%	0.383	S	S	*	.			trans	-73.5	93.4	175.5	-65.9	176.6	81	161.7	3.3	109.7	D591 P595 I596	R542-D591 IonicContact CZ-OD1 3.77Å; R542-D591 IonicContact NH1-OD1 3.76Å; R542-D591 PolarHBondContact NH1-OD1 2.74Å; R542-D591 IonicContact NH2-OD1 2.78Å; R542-P595 HydrophobicContact CB-CB 4.49Å; R542-P595 CarbonylContact O-C 3.51Å; R542-P595 WeakPolarHBondContact O-CA 3.45Å; R542-P595 VanDerWaalsContact O-CB 3.23Å; R542-P595 WeakPolarHBondContact O-CB 3.27Å; R542-I596 PolarHBondContact O-N 3.49Å
543	N	90.2	Very high	92.1	Very high	47 Å²	47	74.4 Å²	74.4	25%	0.251	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-124.8	158.2	-177.6	79.8	93.2	0	0	0	111.9	M538 E541 L545 I596	M538-N543 PolarHBondContact O-ND2 2.9Å; M538-N543 HydrophobicContact SD-CB 4.27Å; E541-N543 PolarHBondContact O-N 3.47Å; E541-N543 PolarHBondContact O-ND2 3.02Å; E541-N543 VanDerWaalsContact O-ND2 3.08Å; N543-L545 PolarHBondContact OD1-N 3.22Å; N543-I596 WeakPolarHBondContact CA-O 3.5Å; N543-I596 HydrophobicContact CB-CB 4.05Å
544	H	90.5	Very high	92.1	Very high	132 Å²	132	73.4 Å²	73.4	61%	0.611	37%	0.367	S	S	*	.			trans	-127.9	48.3	171.5	-71.5	141.1	0	0	0	111.7	P595 I596 L597	H544-P595 VanDerWaalsContact ND1-CG 3.28Å; H544-P595 WeakPolarHBondContact ND1-CG 3.34Å; H544-I596 PolarHBondContact N-O 3.25Å; H544-L597 HydrophobicContact CB-CD2 4.22Å
545	L	88.8	Confident	92.2	Very high	34 Å²	34	76.9 Å²	76.9	18%	0.178	40%	0.395	C	S	.	.			trans	-77.3	126	176.9	-68.8	166.1	0	0	0	111.5	V534 M538 N543 F601	V534-L545 HydrophobicContact CG1-CD1 4.46Å; M538-L545 HydrophobicContact CB-CD1 4.44Å; M538-L545 HydrophobicContact CG-CD1 3.78Å; M538-L545 HydrophobicContact SD-CD1 4.1Å; N543-L545 PolarHBondContact OD1-N 3.22Å; L545-F601 HydrophobicContact CD1-CD2 4.5Å; L545-F601 HydrophobicContact CD1-CE2 3.78Å; L545-F601 HydrophobicContact CD1-CZ 4.15Å; L545-F601 HydrophobicContact CD2-CD2 4.07Å; L545-F601 HydrophobicContact CD2-CE2 4.15Å; L545-F601 HydrophobicContact CG-CE2 4.45Å
546	R	90.8	Very high	92.2	Very high	175 Å²	175	76.3 Å²	76.3	66%	0.66	40%	0.397	S	S	*	.			trans	-80.7	153.4	169.3	-66.4	-179.1	-96	-153.9	-7.3	110.8	Q548 E549 L550	R546-Q548 PolarHBondContact O-N 3.02Å; R546-E549 HydrophobicContact CB-CB 4.41Å; R546-E549 HydrophobicContact CB-CG 4.09Å; R546-E549 WeakPolarHBondContact CB-OE2 3.39Å; R546-E549 IonicContact CZ-OE1 3.23Å; R546-E549 VanDerWaalsContact CZ-OE1 3.23Å; R546-E549 PolarHBondContact N-OE2 3.29Å; R546-E549 IonicContact NE-OE1 2.74Å; R546-E549 PolarHBondContact NE-OE1 2.83Å; R546-E549 IonicContact NE-OE2 3.8Å; R546-E549 IonicContact NH2-OE1 2.89Å; R546-E549 PolarHBondContact NH2-OE1 3.5Å; R546-E549 WeakPolarHBondContact O-CA 3.41Å; R546-E549 WeakPolarHBondContact O-CB 3.28Å; R546-E549 PolarHBondContact O-N 2.95Å; R546-L550 PolarHBondContact O-N 3.43Å
547	G	89.6	Confident	92.3	Very high	53 Å²	53	73.2 Å²	73.2	55%	0.546	38%	0.381	S	S	.	.	H	α-helix	trans	-54.3	-37.6	176.9	0	0	0	0	0	114	L550 E551	G547-L550 PolarHBondContact O-N 3.02Å; G547-E551 WeakPolarHBondContact O-CG 3.33Å; G547-E551 PolarHBondContact O-N 3Å
548	Q	92.4	Very high	92.4	Very high	168 Å²	168	78 Å²	78	79%	0.785	40%	0.401	S	S	*	.	H	α-helix	trans	-69.3	-34.9	175.9	-66.6	177.3	-6.9	0	0	113.1	R546 S552	R546-Q548 PolarHBondContact O-N 3.02Å; Q548-S552 WeakPolarHBondContact O-CB 3.47Å; Q548-S552 PolarHBondContact O-N 2.77Å; Q548-S552 VanDerWaalsContact O-N 3.1Å; Q548-S552 PolarHBondContact O-OG 3.02Å
549	E	93.6	Very high	92.3	Very high	29 Å²	29	78.9 Å²	78.9	14%	0.136	41%	0.413	C	S	.	.	H	α-helix	trans	-70.1	-39.4	175.9	-66.2	163.6	176.2	0	0	109.8	R546 S552 V553 Y598	R546-E549 HydrophobicContact CB-CB 4.41Å; R546-E549 HydrophobicContact CB-CG 4.09Å; R546-E549 WeakPolarHBondContact CB-OE2 3.39Å; R546-E549 IonicContact CZ-OE1 3.23Å; R546-E549 VanDerWaalsContact CZ-OE1 3.23Å; R546-E549 PolarHBondContact N-OE2 3.29Å; R546-E549 IonicContact NE-OE1 2.74Å; R546-E549 PolarHBondContact NE-OE1 2.83Å; R546-E549 IonicContact NE-OE2 3.8Å; R546-E549 IonicContact NH2-OE1 2.89Å; R546-E549 PolarHBondContact NH2-OE1 3.5Å; R546-E549 WeakPolarHBondContact O-CA 3.41Å; R546-E549 WeakPolarHBondContact O-CB 3.28Å; R546-E549 PolarHBondContact O-N 2.95Å; E549-S552 WeakPolarHBondContact O-CB 3.49Å; E549-S552 PolarHBondContact O-N 2.91Å; E549-V553 PolarHBondContact O-N 3.37Å; E549-Y598 HydrophobicContact CB-CD2 3.79Å; E549-Y598 HydrophobicContact CB-CE2 4.46Å; E549-Y598 HydrophobicContact CB-CG 3.91Å; E549-Y598 HydrophobicContact CG-CD1 4.34Å; E549-Y598 HydrophobicContact CG-CD2 4.34Å; E549-Y598 HydrophobicContact CG-CG 3.96Å
550	L	93.9	Very high	92.6	Very high	26 Å²	26	75.2 Å²	75.2	14%	0.136	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-49.5	174.2	176.2	61.7	0	0	0	112.4	R531 V534 R546 G547 S552 V553 V554	R531-L550 HydrophobicContact CG-CD1 4.35Å; R531-L550 HydrophobicContact CG-CD2 3.79Å; R531-L550 HydrophobicContact CG-CG 3.97Å; V534-L550 HydrophobicContact CB-CD1 3.75Å; V534-L550 HydrophobicContact CG1-CD1 3.58Å; R546-L550 PolarHBondContact O-N 3.43Å; G547-L550 PolarHBondContact O-N 3.02Å; L550-S552 PolarHBondContact O-N 3.3Å; L550-V553 PolarHBondContact O-N 3.23Å; L550-V553 VanDerWaalsContact O-N 3.14Å; L550-V554 WeakPolarHBondContact O-CG2 3.3Å; L550-V554 PolarHBondContact O-N 2.85Å
551	E	94.8	Very high	92.9	Very high	85 Å²	85	66.1 Å²	66.1	40%	0.397	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-31.4	175	-62.4	-62.4	169	0	0	111.8	R531 G547 V554 A555	R531-E551 WeakPolarHBondContact CD-OE1 3.37Å; R531-E551 IonicContact CZ-OE1 3.61Å; R531-E551 IonicContact NE-OE1 3.74Å; R531-E551 IonicContact NH1-OE1 2.7Å; R531-E551 PolarHBondContact NH1-OE1 3.24Å; G547-E551 WeakPolarHBondContact O-CG 3.33Å; G547-E551 PolarHBondContact O-N 3Å; E551-V554 PolarHBondContact O-N 3.13Å; E551-A555 PolarHBondContact O-N 3.46Å
552	S	94.8	Very high	93.2	Very high	52 Å²	52	62 Å²	62	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-39.3	173.4	-56.6	0	0	0	0	112.4	Q548 E549 L550 A556 Y598	Q548-S552 WeakPolarHBondContact O-CB 3.47Å; Q548-S552 PolarHBondContact O-N 2.77Å; Q548-S552 VanDerWaalsContact O-N 3.1Å; Q548-S552 PolarHBondContact O-OG 3.02Å; E549-S552 WeakPolarHBondContact O-CB 3.49Å; E549-S552 PolarHBondContact O-N 2.91Å; L550-S552 PolarHBondContact O-N 3.3Å; S552-A556 WeakPolarHBondContact O-CB 3.24Å; S552-A556 PolarHBondContact O-N 3.41Å; S552-Y598 WeakPolarHBondContact CB-OH 3.24Å
553	V	95	Very high	93.4	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-41.5	171	176.4	0	0	0	0	110.8	E549 L550 A555 A556 T557 L568 Y598 F601	E549-V553 PolarHBondContact O-N 3.37Å; L550-V553 PolarHBondContact O-N 3.23Å; L550-V553 VanDerWaalsContact O-N 3.14Å; V553-A555 VanDerWaalsContact C-N 3.33Å; V553-A555 PolarHBondContact O-N 2.85Å; V553-A556 PolarHBondContact O-N 3.04Å; V553-T557 HydrophobicContact CG1-CG2 4.17Å; V553-T557 WeakPolarHBondContact O-CB 3.36Å; V553-T557 VanDerWaalsContact O-CG2 3.24Å; V553-T557 WeakPolarHBondContact O-CG2 3.46Å; V553-T557 PolarHBondContact O-N 3.04Å; V553-T557 VanDerWaalsContact O-N 3.12Å; V553-T557 PolarHBondContact O-OG1 2.84Å; V553-L568 HydrophobicContact CG1-CD2 4.1Å; V553-Y598 HydrophobicContact CG2-CD2 3.99Å; V553-Y598 HydrophobicContact CG2-CE2 3.8Å; V553-F601 HydrophobicContact CG1-CD1 3.87Å; V553-F601 HydrophobicContact CG1-CE1 4.33Å; V553-F601 HydrophobicContact CG2-CB 3.9Å; V553-F601 HydrophobicContact CG2-CD1 3.97Å; V553-F601 HydrophobicContact CG2-CG 4.01Å
554	V	96	Very high	93.7	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-38	179.3	172.1	0	0	0	0	111.8	A527 R530 R531 L550 E551 T557	A527-V554 HydrophobicContact CB-CG1 3.69Å; A527-V554 WeakPolarHBondContact O-CG1 3.5Å; R530-V554 HydrophobicContact CB-CG1 4.49Å; R530-V554 PolarHBondContact NE-O 3.46Å; R530-V554 PolarHBondContact NH2-O 3.05Å; R531-V554 HydrophobicContact CB-CG2 3.74Å; R531-V554 HydrophobicContact CG-CG2 4.1Å; L550-V554 WeakPolarHBondContact O-CG2 3.3Å; L550-V554 PolarHBondContact O-N 2.85Å; E551-V554 PolarHBondContact O-N 3.13Å; V554-T557 WeakPolarHBondContact CA-OG1 3.31Å; V554-T557 PolarHBondContact O-OG1 3.44Å
555	A	95.5	Very high	94	Very high	73 Å²	73	48.6 Å²	48.6	60%	0.603	28%	0.283	S	S	*	.	H	α-helix	trans	-67.3	-43.1	172.8	0	0	0	0	0	112.4	E551 V553 T557	E551-A555 PolarHBondContact O-N 3.46Å; V553-A555 VanDerWaalsContact C-N 3.33Å; V553-A555 PolarHBondContact O-N 2.85Å; A555-T557 PolarHBondContact O-N 3.38Å
556	A	94.6	Very high	94.3	Very high	54 Å²	54	49.5 Å²	49.5	45%	0.446	29%	0.29	S	S	.	.	H	α-helix	trans	-72.4	-7.8	179.8	0	0	0	0	0	114.8	S552 V553 L605	S552-A556 WeakPolarHBondContact O-CB 3.24Å; S552-A556 PolarHBondContact O-N 3.41Å; V553-A556 PolarHBondContact O-N 3.04Å; A556-L605 HydrophobicContact CB-CD1 3.74Å; A556-L605 HydrophobicContact CB-CD2 4.44Å
557	T	95.6	Very high	94.6	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	25.8	-176	49.6	0	0	0	0	113.7	R530 V553 V554 A555 G559 F560 M565 L568 L605	R530-T557 WeakPolarHBondContact CD-O 3.47Å; R530-T557 PolarHBondContact NE-O 2.98Å; R530-T557 VanDerWaalsContact NE-O 3.08Å; R530-T557 PolarHBondContact NE-OG1 3.42Å; V553-T557 HydrophobicContact CG1-CG2 4.17Å; V553-T557 WeakPolarHBondContact O-CB 3.36Å; V553-T557 VanDerWaalsContact O-CG2 3.24Å; V553-T557 WeakPolarHBondContact O-CG2 3.46Å; V553-T557 PolarHBondContact O-N 3.04Å; V553-T557 VanDerWaalsContact O-N 3.12Å; V553-T557 PolarHBondContact O-OG1 2.84Å; V554-T557 WeakPolarHBondContact CA-OG1 3.31Å; V554-T557 PolarHBondContact O-OG1 3.44Å; A555-T557 PolarHBondContact O-N 3.38Å; T557-G559 PolarHBondContact O-N 3.38Å; T557-F560 HydrophobicContact CG2-CD1 4.34Å; T557-F560 HydrophobicContact CG2-CD2 4.04Å; T557-F560 HydrophobicContact CG2-CE1 4.39Å; T557-F560 HydrophobicContact CG2-CE2 4.1Å; T557-F560 HydrophobicContact CG2-CG 4.18Å; T557-F560 HydrophobicContact CG2-CZ 4.29Å; T557-F560 WeakPolarHBondContact O-CB 3.38Å; T557-F560 WeakPolarHBondContact O-CD1 3.31Å; T557-F560 PolarHBondContact O-N 3.17Å; T557-M565 VanDerWaalsContact CB-SD 3.51Å; T557-M565 HydrophobicContact CG2-CE 4.13Å; T557-M565 HydrophobicContact CG2-SD 3.68Å; T557-L568 HydrophobicContact CG2-CD2 3.45Å; T557-L568 VanDerWaalsContact CG2-CD2 3.45Å; T557-L605 HydrophobicContact CG2-CD2 3.87Å
558	E	93.7	Very high	94.9	Very high	157 Å²	157	43.5 Å²	43.5	73%	0.734	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	136.7	171.5	-171.1	162	-143.8	0	0	111.4	F560	E558-F560 VanDerWaalsContact C-N 3.3Å; E558-F560 PolarHBondContact O-N 2.77Å
559	G	92.1	Very high	95.1	Very high	27 Å²	27	35.7 Å²	35.7	28%	0.278	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-4.5	-175.1	0	0	0	0	0	116.4	T557	T557-G559 PolarHBondContact O-N 3.38Å
560	F	95.4	Very high	95.2	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.039	24%	0.243	C	C	.	.			trans	-72.1	135.4	178.7	-80.5	52.9	0	0	0	111.8	P525 T557 E558 D564 M565 L568 L605 V608 P610	P525-F560 WeakPolarHBondContact CD-O 3.4Å; P525-F560 WeakPolarHBondContact CG-O 3.49Å; T557-F560 HydrophobicContact CG2-CD1 4.34Å; T557-F560 HydrophobicContact CG2-CD2 4.04Å; T557-F560 HydrophobicContact CG2-CE1 4.39Å; T557-F560 HydrophobicContact CG2-CE2 4.1Å; T557-F560 HydrophobicContact CG2-CG 4.18Å; T557-F560 HydrophobicContact CG2-CZ 4.29Å; T557-F560 WeakPolarHBondContact O-CB 3.38Å; T557-F560 WeakPolarHBondContact O-CD1 3.31Å; T557-F560 PolarHBondContact O-N 3.17Å; E558-F560 VanDerWaalsContact C-N 3.3Å; E558-F560 PolarHBondContact O-N 2.77Å; F560-D564 HydrophobicContact CB-CB 3.97Å; F560-D564 HydrophobicContact CD2-CB 3.6Å; F560-D564 HydrophobicContact CE2-CB 4.42Å; F560-D564 HydrophobicContact CG-CB 4.05Å; F560-M565 HydrophobicContact CB-CG 4.06Å; F560-M565 HydrophobicContact CB-SD 3.75Å; F560-M565 HydrophobicContact CD2-SD 4.05Å; F560-M565 HydrophobicContact CG-SD 4.18Å; F560-L568 HydrophobicContact CE2-CD2 4.31Å; F560-L605 HydrophobicContact CE2-CD2 4.38Å; F560-L605 HydrophobicContact CZ-CD2 3.94Å; F560-V608 HydrophobicContact CD2-CG1 4.47Å; F560-V608 HydrophobicContact CE2-CB 4.38Å; F560-V608 HydrophobicContact CE2-CG1 3.79Å; F560-P610 HydrophobicContact CD1-CG 3.82Å; F560-P610 HydrophobicContact CE1-CG 3.72Å
561	S	95.9	Very high	95.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	24%	0.242	C	C	.	.			trans	-72.4	167	168.5	85.2	0	0	0	0	112	A563 D564 M565	S561-A563 PolarHBondContact O-N 2.85Å; S561-A563 PolarHBondContact OG-N 2.95Å; S561-D564 PolarHBondContact N-OD2 3.42Å; S561-D564 PolarHBondContact O-N 3.5Å; S561-D564 VanDerWaalsContact O-N 3.14Å; S561-D564 PolarHBondContact OG-N 3.14Å; S561-D564 PolarHBondContact OG-OD1 2.97Å; S561-D564 PolarHBondContact OG-OD2 3.17Å; S561-M565 WeakPolarHBondContact O-CG 3.3Å; S561-M565 PolarHBondContact O-N 3.16Å
562	G	94.6	Very high	95.2	Very high	14 Å²	14	38.2 Å²	38.2	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-30.7	173.6	0	0	0	0	0	113.1	G401 T566	G401-G562 CarbonylContact O-C 3.59Å; G401-G562 VanDerWaalsContact O-CA 3.27Å; G401-G562 WeakPolarHBondContact O-CA 3.48Å; G401-G562 PolarHBondContact O-N 2.87Å; G401-G562 VanDerWaalsContact O-N 3.08Å; G562-T566 WeakPolarHBondContact O-CB 3.25Å; G562-T566 PolarHBondContact O-N 3.13Å; G562-T566 VanDerWaalsContact O-N 3.07Å; G562-T566 PolarHBondContact O-OG1 3.39Å
563	A	94.7	Very high	95.2	Very high	47 Å²	47	37 Å²	37	39%	0.388	22%	0.216	S	C	.	.	H	α-helix	trans	-68.8	-44.3	170.7	0	0	0	0	0	111.5	G401 S561 M565 T566 Q567	G401-A563 PolarHBondContact O-N 3.02Å; S561-A563 PolarHBondContact O-N 2.85Å; S561-A563 PolarHBondContact OG-N 2.95Å; A563-M565 VanDerWaalsContact C-N 3.33Å; A563-M565 PolarHBondContact O-N 3.17Å; A563-T566 WeakPolarHBondContact O-CB 3.49Å; A563-T566 PolarHBondContact O-N 3.45Å; A563-T566 VanDerWaalsContact O-N 3.14Å; A563-Q567 WeakPolarHBondContact O-CB 3.4Å; A563-Q567 PolarHBondContact O-N 3.1Å
564	D	96.1	Very high	95.1	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-42.3	177.9	-49.8	-11.2	0	0	0	110.5	F560 S561 T566 Q567 L568 S611	F560-D564 HydrophobicContact CB-CB 3.97Å; F560-D564 HydrophobicContact CD2-CB 3.6Å; F560-D564 HydrophobicContact CE2-CB 4.42Å; F560-D564 HydrophobicContact CG-CB 4.05Å; S561-D564 PolarHBondContact N-OD2 3.42Å; S561-D564 PolarHBondContact O-N 3.5Å; S561-D564 VanDerWaalsContact O-N 3.14Å; S561-D564 PolarHBondContact OG-N 3.14Å; S561-D564 PolarHBondContact OG-OD1 2.97Å; S561-D564 PolarHBondContact OG-OD2 3.17Å; D564-T566 VanDerWaalsContact C-N 3.35Å; D564-T566 PolarHBondContact O-N 3.31Å; D564-Q567 PolarHBondContact O-N 3.22Å; D564-L568 WeakPolarHBondContact O-CB 3.25Å; D564-L568 PolarHBondContact O-N 3.01Å; D564-S611 VanDerWaalsContact CG-OG 3.25Å; D564-S611 WeakPolarHBondContact OD1-CB 3.34Å; D564-S611 PolarHBondContact OD1-OG 3.47Å; D564-S611 PolarHBondContact OD2-N 2.88Å; D564-S611 VanDerWaalsContact OD2-N 3.08Å; D564-S611 PolarHBondContact OD2-OG 3.35Å; D564-S611 VanDerWaalsContact OD2-OG 3.06Å
565	M	96.4	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-39.8	174.1	-69.3	-56.7	-60.8	0	0	112.5	R530 I533 V534 T557 F560 S561 A563 L568 C569	R530-M565 HydrophobicContact CB-CE 4Å; R530-M565 HydrophobicContact CB-SD 4.34Å; R530-M565 HydrophobicContact CG-CE 4.47Å; R530-M565 HydrophobicContact CG-CG 4.19Å; R530-M565 HydrophobicContact CG-SD 4.17Å; I533-M565 HydrophobicContact CD1-CB 4.27Å; I533-M565 HydrophobicContact CD1-CG 4.4Å; I533-M565 HydrophobicContact CG2-CB 3.84Å; V534-M565 HydrophobicContact CG2-CE 3.36Å; T557-M565 VanDerWaalsContact CB-SD 3.51Å; T557-M565 HydrophobicContact CG2-CE 4.13Å; T557-M565 HydrophobicContact CG2-SD 3.68Å; F560-M565 HydrophobicContact CB-CG 4.06Å; F560-M565 HydrophobicContact CB-SD 3.75Å; F560-M565 HydrophobicContact CD2-SD 4.05Å; F560-M565 HydrophobicContact CG-SD 4.18Å; S561-M565 WeakPolarHBondContact O-CG 3.3Å; S561-M565 PolarHBondContact O-N 3.16Å; A563-M565 VanDerWaalsContact C-N 3.33Å; A563-M565 PolarHBondContact O-N 3.17Å; M565-L568 PolarHBondContact O-N 3.33Å; M565-C569 PolarHBondContact O-N 3.26Å; M565-C569 PolarHBondContact O-SG 3.37Å
566	T	95.2	Very high	94.7	Very high	53 Å²	53	37.2 Å²	37.2	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-39.2	176.4	-56.9	0	0	0	0	111.2	L537 G562 A563 D564 C569 R570	L537-T566 HydrophobicContact CD1-CG2 4.15Å; G562-T566 WeakPolarHBondContact O-CB 3.25Å; G562-T566 PolarHBondContact O-N 3.13Å; G562-T566 VanDerWaalsContact O-N 3.07Å; G562-T566 PolarHBondContact O-OG1 3.39Å; A563-T566 WeakPolarHBondContact O-CB 3.49Å; A563-T566 PolarHBondContact O-N 3.45Å; A563-T566 VanDerWaalsContact O-N 3.14Å; D564-T566 VanDerWaalsContact C-N 3.35Å; D564-T566 PolarHBondContact O-N 3.31Å; T566-C569 PolarHBondContact O-N 2.96Å; T566-R570 WeakPolarHBondContact O-CB 3.46Å; T566-R570 PolarHBondContact O-N 2.93Å
567	Q	96.1	Very high	94.5	Very high	103 Å²	103	38.3 Å²	38.3	48%	0.481	21%	0.207	S	C	.	.	H	α-helix	trans	-66.5	-41	174.7	-176.9	173.2	-21.6	0	0	111.4	A563 D564 R570 E571 V608	A563-Q567 WeakPolarHBondContact O-CB 3.4Å; A563-Q567 PolarHBondContact O-N 3.1Å; D564-Q567 PolarHBondContact O-N 3.22Å; Q567-R570 PolarHBondContact O-N 3.1Å; Q567-E571 VanDerWaalsContact O-CB 3.23Å; Q567-E571 WeakPolarHBondContact O-CB 3.34Å; Q567-E571 PolarHBondContact O-N 3.26Å; Q567-V608 HydrophobicContact CG-CG1 4.48Å; Q567-V608 HydrophobicContact CG-CG2 4Å
568	L	96.5	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-45.4	174.5	-175.3	73.7	0	0	0	111.7	V553 T557 F560 D564 M565 R570 E571 A572 F601 A604 L605 V608	V553-L568 HydrophobicContact CG1-CD2 4.1Å; T557-L568 HydrophobicContact CG2-CD2 3.45Å; T557-L568 VanDerWaalsContact CG2-CD2 3.45Å; F560-L568 HydrophobicContact CE2-CD2 4.31Å; D564-L568 WeakPolarHBondContact O-CB 3.25Å; D564-L568 PolarHBondContact O-N 3.01Å; M565-L568 PolarHBondContact O-N 3.33Å; L568-R570 PolarHBondContact O-N 3.1Å; L568-E571 PolarHBondContact O-N 3.24Å; L568-A572 WeakPolarHBondContact O-CB 3.23Å; L568-A572 PolarHBondContact O-N 3.01Å; L568-F601 HydrophobicContact CD2-CD1 4.25Å; L568-F601 HydrophobicContact CG-CD1 4.23Å; L568-A604 HydrophobicContact CD1-CB 3.6Å; L568-A604 HydrophobicContact CG-CB 4.45Å; L568-L605 HydrophobicContact CD1-CD2 3.86Å; L568-L605 HydrophobicContact CD1-CG 3.9Å; L568-L605 HydrophobicContact CD2-CD2 3.96Å; L568-L605 HydrophobicContact CD2-CG 4.44Å; L568-V608 HydrophobicContact CB-CG1 4.49Å; L568-V608 HydrophobicContact CD1-CB 4.13Å; L568-V608 HydrophobicContact CD1-CG2 4.36Å
569	C	95.9	Very high	93.7	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-40.7	175.9	-67.7	0	0	0	0	112.1	L537 M538 M565 T566 A573	L537-C569 HydrophobicContact CB-CB 4.33Å; L537-C569 HydrophobicContact CD1-CB 3.78Å; M538-C569 HydrophobicContact CE-CB 3.99Å; M565-C569 PolarHBondContact O-N 3.26Å; M565-C569 PolarHBondContact O-SG 3.37Å; T566-C569 PolarHBondContact O-N 2.96Å; C569-A573 WeakPolarHBondContact O-CB 3.24Å; C569-A573 PolarHBondContact O-N 3.43Å
570	R	95.6	Very high	93.4	Very high	169 Å²	169	41 Å²	41	64%	0.638	21%	0.214	S	C	*	.	H	α-helix	trans	-65.6	-42.4	175	-178.8	-178	-67	158.7	-0.2	112.2	T566 Q567 L568 A573 L574	T566-R570 WeakPolarHBondContact O-CB 3.46Å; T566-R570 PolarHBondContact O-N 2.93Å; Q567-R570 PolarHBondContact O-N 3.1Å; L568-R570 PolarHBondContact O-N 3.1Å; R570-A573 PolarHBondContact O-N 3.16Å; R570-L574 WeakPolarHBondContact O-CG 3.27Å; R570-L574 PolarHBondContact O-N 3.47Å; R570-L574 VanDerWaalsContact O-N 3.1Å
571	E	95.6	Very high	92.7	Very high	24 Å²	24	47.1 Å²	47.1	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-42.8	178.8	-178.1	72.5	174.7	0	0	111	Q567 L568 L574 G575 R578 A604 T607 V608	Q567-E571 VanDerWaalsContact O-CB 3.23Å; Q567-E571 WeakPolarHBondContact O-CB 3.34Å; Q567-E571 PolarHBondContact O-N 3.26Å; L568-E571 PolarHBondContact O-N 3.24Å; E571-L574 PolarHBondContact O-N 3.46Å; E571-G575 PolarHBondContact O-N 3.22Å; E571-R578 VanDerWaalsContact CD-NH2 3.33Å; E571-R578 IonicContact OE1-CZ 3.73Å; E571-R578 IonicContact OE1-NH1 2.64Å; E571-R578 PolarHBondContact OE1-NH1 2.94Å; E571-R578 IonicContact OE1-NH2 2.7Å; E571-R578 PolarHBondContact OE1-NH2 3.05Å; E571-R578 IonicContact OE2-CZ 2.69Å; E571-R578 IonicContact OE2-NH1 2.69Å; E571-R578 PolarHBondContact OE2-NH1 3.08Å; E571-R578 IonicContact OE2-NH2 3.43Å; E571-R578 PolarHBondContact OE2-NH2 3.42Å; E571-A604 HydrophobicContact CB-CB 3.81Å; E571-A604 HydrophobicContact CG-CB 3.48Å; E571-A604 VanDerWaalsContact CG-CB 3.48Å; E571-T607 VanDerWaalsContact OE1-CB 3.26Å; E571-T607 WeakPolarHBondContact OE1-CB 3.33Å; E571-T607 WeakPolarHBondContact OE1-CG2 3.4Å; E571-T607 PolarHBondContact OE1-OG1 2.63Å; E571-V608 HydrophobicContact CB-CG2 4.17Å; E571-V608 HydrophobicContact CG-CG2 4.22Å
572	A	94.9	Very high	91.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-37.9	172.5	0	0	0	0	0	112.5	L568 L574 G575 P576 I596 D600 F601 A604	L568-A572 WeakPolarHBondContact O-CB 3.23Å; L568-A572 PolarHBondContact O-N 3.01Å; A572-L574 PolarHBondContact O-N 2.95Å; A572-G575 PolarHBondContact O-N 3.44Å; A572-P576 VanDerWaalsContact O-CD 3.24Å; A572-P576 WeakPolarHBondContact O-CD 3.41Å; A572-I596 HydrophobicContact CB-CG2 4.31Å; A572-D600 HydrophobicContact CB-CB 4.18Å; A572-D600 WeakPolarHBondContact O-CB 3.42Å; A572-F601 HydrophobicContact CB-CD1 4.04Å; A572-F601 HydrophobicContact CB-CD2 3.59Å; A572-F601 HydrophobicContact CB-CE1 4.04Å; A572-F601 HydrophobicContact CB-CE2 3.57Å; A572-F601 HydrophobicContact CB-CG 3.83Å; A572-F601 HydrophobicContact CB-CZ 3.81Å; A572-A604 HydrophobicContact CB-CB 4.2Å
573	A	94.3	Very high	90.6	Very high	26 Å²	26	60.1 Å²	60.1	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-24.6	174.2	0	0	0	0	0	113.6	C569 R570 I596	C569-A573 WeakPolarHBondContact O-CB 3.24Å; C569-A573 PolarHBondContact O-N 3.43Å; R570-A573 PolarHBondContact O-N 3.16Å; A573-I596 HydrophobicContact CB-CD1 3.75Å
574	L	92.9	Very high	89.7	Confident	68 Å²	68	61.4 Å²	61.4	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-81.8	-15.2	170.6	-65.4	175.8	0	0	0	113.3	R570 E571 A572 I577 R578	R570-L574 WeakPolarHBondContact O-CG 3.27Å; R570-L574 PolarHBondContact O-N 3.47Å; R570-L574 VanDerWaalsContact O-N 3.1Å; E571-L574 PolarHBondContact O-N 3.46Å; A572-L574 PolarHBondContact O-N 2.95Å; L574-I577 HydrophobicContact CD2-CD1 4.23Å; L574-I577 PolarHBondContact O-N 2.99Å; L574-I577 VanDerWaalsContact O-N 3.13Å; L574-R578 WeakPolarHBondContact O-CG 3.39Å; L574-R578 PolarHBondContact O-N 2.83Å
575	G	91.3	Very high	88.9	Confident	13 Å²	13	64.8 Å²	64.8	13%	0.134	33%	0.326	C	S	.	.	H	α-helix	trans	-54.1	-48.9	178.1	0	0	0	0	0	114.1	E571 A572 I577 R578 S579 R594 D600	E571-G575 PolarHBondContact O-N 3.22Å; A572-G575 PolarHBondContact O-N 3.44Å; G575-I577 PolarHBondContact O-N 3.48Å; G575-R578 PolarHBondContact O-N 3.2Å; G575-S579 PolarHBondContact O-N 3.33Å; G575-S579 VanDerWaalsContact O-N 3.17Å; G575-S579 PolarHBondContact O-OG 2.89Å; G575-R594 PolarHBondContact O-NH2 3.22Å; G575-D600 VanDerWaalsContact C-OD1 3.32Å; G575-D600 WeakPolarHBondContact CA-OD1 3.04Å
576	P	91.3	Very high	88.1	Confident	4 Å²	4	69.4 Å²	69.4	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-50.4	-50.2	169.5	-32.4	37.9	0	0	0	114.2	A572 R578 S579 V593 R594 I596	A572-P576 VanDerWaalsContact O-CD 3.24Å; A572-P576 WeakPolarHBondContact O-CD 3.41Å; P576-R578 PolarHBondContact O-N 3.36Å; P576-S579 PolarHBondContact O-N 2.97Å; P576-S579 PolarHBondContact O-OG 3.25Å; P576-V593 HydrophobicContact CB-CG1 3.77Å; P576-R594 HydrophobicContact CB-CG 3.84Å; P576-R594 VanDerWaalsContact CB-O 3.28Å; P576-R594 WeakPolarHBondContact CB-O 3.33Å; P576-R594 HydrophobicContact CG-CG 4.34Å; P576-R594 WeakPolarHBondContact CG-O 3.25Å; P576-I596 HydrophobicContact CG-CG1 4.12Å
577	I	90.1	Very high	87.5	Confident	76 Å²	76	72.1 Å²	72.1	39%	0.39	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-41.7	-176.4	-58.5	175.3	0	0	0	110.8	L574 G575 S579 I580 V593	L574-I577 HydrophobicContact CD2-CD1 4.23Å; L574-I577 PolarHBondContact O-N 2.99Å; L574-I577 VanDerWaalsContact O-N 3.13Å; G575-I577 PolarHBondContact O-N 3.48Å; I577-S579 PolarHBondContact O-N 2.93Å; I577-I580 WeakPolarHBondContact O-CB 3.49Å; I577-I580 PolarHBondContact O-N 3.45Å; I577-I580 VanDerWaalsContact O-N 3.13Å; I577-V593 HydrophobicContact CG1-CG1 4.36Å
578	R	88.6	Confident	86.9	Confident	140 Å²	140	69.7 Å²	69.7	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-18.2	177.6	-68.4	173.4	-173.2	176.2	6.6	114	E571 L574 G575 P576 I580	E571-R578 VanDerWaalsContact CD-NH2 3.33Å; E571-R578 IonicContact OE1-CZ 3.73Å; E571-R578 IonicContact OE1-NH1 2.64Å; E571-R578 PolarHBondContact OE1-NH1 2.94Å; E571-R578 IonicContact OE1-NH2 2.7Å; E571-R578 PolarHBondContact OE1-NH2 3.05Å; E571-R578 IonicContact OE2-CZ 2.69Å; E571-R578 IonicContact OE2-NH1 2.69Å; E571-R578 PolarHBondContact OE2-NH1 3.08Å; E571-R578 IonicContact OE2-NH2 3.43Å; E571-R578 PolarHBondContact OE2-NH2 3.42Å; L574-R578 WeakPolarHBondContact O-CG 3.39Å; L574-R578 PolarHBondContact O-N 2.83Å; G575-R578 PolarHBondContact O-N 3.2Å; P576-R578 PolarHBondContact O-N 3.36Å; R578-I580 VanDerWaalsContact C-N 3.34Å
579	S	85	Confident	86.2	Confident	70 Å²	70	72.3 Å²	72.3	49%	0.49	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.2	174	61	0	0	0	0	114.5	G575 P576 I577 R594	G575-S579 PolarHBondContact O-N 3.33Å; G575-S579 VanDerWaalsContact O-N 3.17Å; G575-S579 PolarHBondContact O-OG 2.89Å; P576-S579 PolarHBondContact O-N 2.97Å; P576-S579 PolarHBondContact O-OG 3.25Å; I577-S579 PolarHBondContact O-N 2.93Å; S579-R594 PolarHBondContact OG-NE 3.03Å; S579-R594 PolarHBondContact OG-NH2 3.07Å; S579-R594 VanDerWaalsContact OG-NH2 3.09Å
580	I	85.6	Confident	85.6	Confident	30 Å²	30	76.2 Å²	76.2	15%	0.154	42%	0.421	C	S	.	.	S	Bend	trans	-87.6	141.6	172.8	-52.9	165.4	0	0	0	108.8	I577 R578 D584 I585 I588 V593	I577-I580 WeakPolarHBondContact O-CB 3.49Å; I577-I580 PolarHBondContact O-N 3.45Å; I577-I580 VanDerWaalsContact O-N 3.13Å; R578-I580 VanDerWaalsContact C-N 3.34Å; I580-D584 HydrophobicContact CG2-CB 3.93Å; I580-I585 HydrophobicContact CB-CG1 3.94Å; I580-I585 HydrophobicContact CG2-CG1 3.71Å; I580-I588 HydrophobicContact CD1-CD1 3.72Å; I580-I588 HydrophobicContact CD1-CG2 4.36Å; I580-I588 HydrophobicContact CG1-CD1 4.27Å; I580-I588 HydrophobicContact CG2-CD1 4.48Å; I580-V593 HydrophobicContact CD1-CG2 4.4Å
581	Q	80.2	Confident	85.1	Confident	139 Å²	139	73.9 Å²	73.9	65%	0.65	42%	0.422	S	S	*	.			trans	-71.7	143.8	175.3	-54.9	-170.1	34.2	0	0	110.6	N583 D584 I585	Q581-N583 PolarHBondContact O-N 3.49Å; Q581-D584 PolarHBondContact O-N 2.98Å; Q581-I585 PolarHBondContact O-N 2.89Å
582	L	74	Confident	84.5	Confident	153 Å²	153	78.8 Å²	78.8	80%	0.801	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.6	-171.7	-80.7	71.8	0	0	0	114
583	N	72.3	Confident	84.2	Confident	135 Å²	135	80.8 Å²	80.8	72%	0.722	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.8	178.7	-61.5	-19.9	0	0	0	112.9	Q581	Q581-N583 PolarHBondContact O-N 3.49Å
584	D	75.8	Confident	84.1	Confident	73 Å²	73	83.6 Å²	83.6	39%	0.39	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17	-173.9	-54.2	-42.5	0	0	0	112.4	I580 Q581 A586 T587 I588	I580-D584 HydrophobicContact CG2-CB 3.93Å; Q581-D584 PolarHBondContact O-N 2.98Å; D584-A586 PolarHBondContact O-N 3.25Å; D584-A586 VanDerWaalsContact O-N 3.16Å; D584-T587 PolarHBondContact O-N 3.29Å; D584-T587 PolarHBondContact O-OG1 2.96Å; D584-T587 VanDerWaalsContact O-OG1 3.11Å; D584-I588 WeakPolarHBondContact O-CB 3.49Å; D584-I588 PolarHBondContact O-N 3.31Å
585	I	79.1	Confident	84	Confident	81 Å²	81	82.1 Å²	82.1	42%	0.415	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.3	178.2	-68.2	177	0	0	0	112.1	I580 Q581	I580-I585 HydrophobicContact CB-CG1 3.94Å; I580-I585 HydrophobicContact CG2-CG1 3.71Å; Q581-I585 PolarHBondContact O-N 2.89Å
586	A	80.1	Confident	84.2	Confident	96 Å²	96	81.8 Å²	81.8	79%	0.793	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.4	178	0	0	0	0	0	114.4	D584	D584-A586 PolarHBondContact O-N 3.25Å; D584-A586 VanDerWaalsContact O-N 3.16Å
587	T	81.7	Confident	84.3	Confident	110 Å²	110	85 Å²	85	68%	0.675	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-19.6	-173.8	55.3	0	0	0	0	113.7	D584	D584-T587 PolarHBondContact O-N 3.29Å; D584-T587 PolarHBondContact O-OG1 2.96Å; D584-T587 VanDerWaalsContact O-OG1 3.11Å
588	I	83.8	Confident	84.5	Confident	52 Å²	52	84.1 Å²	84.1	27%	0.267	46%	0.46	S	S	.	.			trans	-69.2	139.3	179.1	-162.5	174.4	0	0	0	112.4	I580 D584 Q592 V593	I580-I588 HydrophobicContact CD1-CD1 3.72Å; I580-I588 HydrophobicContact CD1-CG2 4.36Å; I580-I588 HydrophobicContact CG1-CD1 4.27Å; I580-I588 HydrophobicContact CG2-CD1 4.48Å; D584-I588 WeakPolarHBondContact O-CB 3.49Å; D584-I588 PolarHBondContact O-N 3.31Å; I588-Q592 HydrophobicContact CD1-CB 3.98Å; I588-Q592 HydrophobicContact CG1-CB 3.56Å; I588-V593 HydrophobicContact CD1-CG2 4.3Å
589	S	82.6	Confident	84.8	Confident	56 Å²	56	80.2 Å²	80.2	39%	0.392	46%	0.458	S	S	.	.			trans	-90.1	156.4	171.8	72.6	0	0	0	0	112.1	D591 Q592	S589-D591 PolarHBondContact O-N 3.15Å; S589-D591 VanDerWaalsContact O-N 3.12Å; S589-Q592 WeakPolarHBondContact O-CB 3.28Å; S589-Q592 PolarHBondContact O-N 3.02Å; S589-Q592 VanDerWaalsContact OG-CD 3.29Å; S589-Q592 WeakPolarHBondContact OG-CG 3.21Å; S589-Q592 PolarHBondContact OG-OE1 3.37Å
590	A	83.1	Confident	85.3	Confident	85 Å²	85	77.4 Å²	77.4	70%	0.702	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-57.4	-31	-176.5	0	0	0	0	0	113.8	Q592	A590-Q592 VanDerWaalsContact C-N 3.33Å
591	D	83.9	Confident	85.8	Confident	120 Å²	120	76 Å²	76	64%	0.642	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-76.3	-15.5	177.2	-74.7	-66.4	0	0	0	114.9	R542 S589	R542-D591 IonicContact CZ-OD1 3.77Å; R542-D591 IonicContact NH1-OD1 3.76Å; R542-D591 PolarHBondContact NH1-OD1 2.74Å; R542-D591 IonicContact NH2-OD1 2.78Å; S589-D591 PolarHBondContact O-N 3.15Å; S589-D591 VanDerWaalsContact O-N 3.12Å
592	Q	84.4	Confident	86.5	Confident	128 Å²	128	74 Å²	74	60%	0.598	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-87.9	-12.8	176.5	-68.1	167.2	-19.6	0	0	112.4	I588 S589 A590 R594	I588-Q592 HydrophobicContact CD1-CB 3.98Å; I588-Q592 HydrophobicContact CG1-CB 3.56Å; S589-Q592 WeakPolarHBondContact O-CB 3.28Å; S589-Q592 PolarHBondContact O-N 3.02Å; S589-Q592 VanDerWaalsContact OG-CD 3.29Å; S589-Q592 WeakPolarHBondContact OG-CG 3.21Å; S589-Q592 PolarHBondContact OG-OE1 3.37Å; A590-Q592 VanDerWaalsContact C-N 3.33Å; Q592-R594 PolarHBondContact O-N 3.3Å
593	V	88.8	Confident	87.4	Confident	41 Å²	41	71.7 Å²	71.7	25%	0.248	41%	0.406	C	S	.	.	S	Bend	trans	-67.6	125.3	174.1	-176.4	0	0	0	0	109	P576 I577 I580 I588	P576-V593 HydrophobicContact CB-CG1 3.77Å; I577-V593 HydrophobicContact CG1-CG1 4.36Å; I580-V593 HydrophobicContact CD1-CG2 4.4Å; I588-V593 HydrophobicContact CD1-CG2 4.3Å
594	R	90.8	Very high	88.6	Confident	85 Å²	85	65.3 Å²	65.3	32%	0.321	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.6	149.5	179.9	69.1	172.4	179.2	81.5	-1.6	111.5	G575 P576 S579 Q592 D600	G575-R594 PolarHBondContact O-NH2 3.22Å; P576-R594 HydrophobicContact CB-CG 3.84Å; P576-R594 VanDerWaalsContact CB-O 3.28Å; P576-R594 WeakPolarHBondContact CB-O 3.33Å; P576-R594 HydrophobicContact CG-CG 4.34Å; P576-R594 WeakPolarHBondContact CG-O 3.25Å; S579-R594 PolarHBondContact OG-NE 3.03Å; S579-R594 PolarHBondContact OG-NH2 3.07Å; S579-R594 VanDerWaalsContact OG-NH2 3.09Å; Q592-R594 PolarHBondContact O-N 3.3Å; R594-D600 IonicContact CZ-OD1 3.79Å; R594-D600 IonicContact CZ-OD2 3.99Å; R594-D600 IonicContact NH1-OD1 3.25Å; R594-D600 PolarHBondContact NH1-OD1 2.93Å; R594-D600 IonicContact NH1-OD2 3.42Å; R594-D600 PolarHBondContact NH1-OD2 2.99Å; R594-D600 IonicContact NH2-OD1 3.31Å; R594-D600 PolarHBondContact NH2-OD1 3.34Å; R594-D600 IonicContact NH2-OD2 3.68Å
595	P	92.5	Very high	89.5	Confident	37 Å²	37	64 Å²	64	24%	0.24	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-64.7	158.7	172.5	26.9	-34.1	0	0	0	112.3	R542 H544	R542-P595 HydrophobicContact CB-CB 4.49Å; R542-P595 CarbonylContact O-C 3.51Å; R542-P595 WeakPolarHBondContact O-CA 3.45Å; R542-P595 VanDerWaalsContact O-CB 3.23Å; R542-P595 WeakPolarHBondContact O-CB 3.27Å; H544-P595 VanDerWaalsContact ND1-CG 3.28Å; H544-P595 WeakPolarHBondContact ND1-CG 3.34Å
596	I	94.5	Very high	90.2	Very high	6 Å²	6	66 Å²	66	3%	0.031	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-68	132.6	175.5	-50.2	169.5	0	0	0	109.5	M538 E541 R542 N543 H544 A572 A573 P576 D600 F601	M538-I596 HydrophobicContact CE-CD1 4.05Å; M538-I596 HydrophobicContact SD-CD1 3.92Å; E541-I596 HydrophobicContact CB-CD1 3.87Å; E541-I596 HydrophobicContact CG-CD1 4.39Å; R542-I596 PolarHBondContact O-N 3.49Å; N543-I596 WeakPolarHBondContact CA-O 3.5Å; N543-I596 HydrophobicContact CB-CB 4.05Å; H544-I596 PolarHBondContact N-O 3.25Å; A572-I596 HydrophobicContact CB-CG2 4.31Å; A573-I596 HydrophobicContact CB-CD1 3.75Å; P576-I596 HydrophobicContact CG-CG1 4.12Å; I596-D600 HydrophobicContact CG2-CB 4.16Å; I596-F601 HydrophobicContact CG2-CD2 4.3Å; I596-F601 HydrophobicContact CG2-CE2 3.86Å
597	L	94.2	Very high	90.9	Very high	71 Å²	71	65.3 Å²	65.3	37%	0.372	36%	0.356	S	S	.	.			trans	-119.6	163.2	-179.1	-56.8	178.4	0	0	0	110.9	H544 A599 D600	H544-L597 HydrophobicContact CB-CD2 4.22Å; L597-A599 PolarHBondContact O-N 3.31Å; L597-A599 VanDerWaalsContact O-N 3.17Å; L597-D600 PolarHBondContact N-OD2 3.37Å; L597-D600 WeakPolarHBondContact O-CB 3.49Å; L597-D600 PolarHBondContact O-N 3.49Å
598	Y	94.4	Very high	91.5	Very high	58 Å²	58	60.3 Å²	60.3	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-31.7	174.2	177.7	-116.1	0	0	0	113.4	E549 S552 V553 D600 F601 Q602	E549-Y598 HydrophobicContact CB-CD2 3.79Å; E549-Y598 HydrophobicContact CB-CE2 4.46Å; E549-Y598 HydrophobicContact CB-CG 3.91Å; E549-Y598 HydrophobicContact CG-CD1 4.34Å; E549-Y598 HydrophobicContact CG-CD2 4.34Å; E549-Y598 HydrophobicContact CG-CG 3.96Å; S552-Y598 WeakPolarHBondContact CB-OH 3.24Å; V553-Y598 HydrophobicContact CG2-CD2 3.99Å; V553-Y598 HydrophobicContact CG2-CE2 3.8Å; Y598-D600 VanDerWaalsContact C-N 3.26Å; Y598-D600 PolarHBondContact O-N 3.44Å; Y598-F601 WeakPolarHBondContact O-CB 3.39Å; Y598-F601 PolarHBondContact O-N 3.03Å; Y598-F601 VanDerWaalsContact O-N 3.13Å; Y598-Q602 HydrophobicContact CD1-CG 4.21Å; Y598-Q602 VanDerWaalsContact CE1-CD 3.49Å; Y598-Q602 HydrophobicContact CE1-CG 3.82Å; Y598-Q602 HydrophobicContact CE2-CG 4.37Å; Y598-Q602 PolarHBondContact O-N 3.29Å
599	A	94.3	Very high	91.9	Very high	59 Å²	59	67.1 Å²	67.1	49%	0.488	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-32.2	174.7	0	0	0	0	0	113.2	L597 F601 Q602 E603	L597-A599 PolarHBondContact O-N 3.31Å; L597-A599 VanDerWaalsContact O-N 3.17Å; A599-F601 VanDerWaalsContact C-N 3.35Å; A599-Q602 PolarHBondContact O-N 3.2Å; A599-E603 PolarHBondContact O-N 3.19Å
600	D	95.1	Very high	92.3	Very high	11 Å²	11	67.6 Å²	67.6	6%	0.059	35%	0.35	C	S	.	.	H	α-helix	trans	-68.7	-36.1	176.2	-59.1	-62.9	0	0	0	111.4	A572 G575 R594 I596 L597 Y598 E603 A604	A572-D600 HydrophobicContact CB-CB 4.18Å; A572-D600 WeakPolarHBondContact O-CB 3.42Å; G575-D600 VanDerWaalsContact C-OD1 3.32Å; G575-D600 WeakPolarHBondContact CA-OD1 3.04Å; R594-D600 IonicContact CZ-OD1 3.79Å; R594-D600 IonicContact CZ-OD2 3.99Å; R594-D600 IonicContact NH1-OD1 3.25Å; R594-D600 PolarHBondContact NH1-OD1 2.93Å; R594-D600 IonicContact NH1-OD2 3.42Å; R594-D600 PolarHBondContact NH1-OD2 2.99Å; R594-D600 IonicContact NH2-OD1 3.31Å; R594-D600 PolarHBondContact NH2-OD1 3.34Å; R594-D600 IonicContact NH2-OD2 3.68Å; I596-D600 HydrophobicContact CG2-CB 4.16Å; L597-D600 PolarHBondContact N-OD2 3.37Å; L597-D600 WeakPolarHBondContact O-CB 3.49Å; L597-D600 PolarHBondContact O-N 3.49Å; Y598-D600 VanDerWaalsContact C-N 3.26Å; Y598-D600 PolarHBondContact O-N 3.44Å; D600-E603 PolarHBondContact O-N 3.15Å; D600-A604 VanDerWaalsContact O-CB 3.26Å; D600-A604 WeakPolarHBondContact O-CB 3.43Å; D600-A604 PolarHBondContact O-N 3.15Å
601	F	95.3	Very high	92.7	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-36.8	171.5	-79.6	-95.3	0	0	0	112.1	V534 M538 L545 V553 L568 A572 I596 Y598 A599 E603 A604 L605	V534-F601 HydrophobicContact CG1-CE1 4.24Å; V534-F601 HydrophobicContact CG1-CZ 4.19Å; M538-F601 HydrophobicContact CE-CZ 4.37Å; M538-F601 HydrophobicContact CG-CZ 4.24Å; M538-F601 HydrophobicContact SD-CE2 3.94Å; M538-F601 HydrophobicContact SD-CZ 3.73Å; L545-F601 HydrophobicContact CD1-CD2 4.5Å; L545-F601 HydrophobicContact CD1-CE2 3.78Å; L545-F601 HydrophobicContact CD1-CZ 4.15Å; L545-F601 HydrophobicContact CD2-CD2 4.07Å; L545-F601 HydrophobicContact CD2-CE2 4.15Å; L545-F601 HydrophobicContact CG-CE2 4.45Å; V553-F601 HydrophobicContact CG1-CD1 3.87Å; V553-F601 HydrophobicContact CG1-CE1 4.33Å; V553-F601 HydrophobicContact CG2-CB 3.9Å; V553-F601 HydrophobicContact CG2-CD1 3.97Å; V553-F601 HydrophobicContact CG2-CG 4.01Å; L568-F601 HydrophobicContact CD2-CD1 4.25Å; L568-F601 HydrophobicContact CG-CD1 4.23Å; A572-F601 HydrophobicContact CB-CD1 4.04Å; A572-F601 HydrophobicContact CB-CD2 3.59Å; A572-F601 HydrophobicContact CB-CE1 4.04Å; A572-F601 HydrophobicContact CB-CE2 3.57Å; A572-F601 HydrophobicContact CB-CG 3.83Å; A572-F601 HydrophobicContact CB-CZ 3.81Å; I596-F601 HydrophobicContact CG2-CD2 4.3Å; I596-F601 HydrophobicContact CG2-CE2 3.86Å; Y598-F601 WeakPolarHBondContact O-CB 3.39Å; Y598-F601 PolarHBondContact O-N 3.03Å; Y598-F601 VanDerWaalsContact O-N 3.13Å; A599-F601 VanDerWaalsContact C-N 3.35Å; F601-E603 VanDerWaalsContact C-N 3.31Å; F601-E603 PolarHBondContact O-N 3.04Å; F601-A604 PolarHBondContact O-N 3.07Å; F601-L605 WeakPolarHBondContact O-CB 3.45Å; F601-L605 VanDerWaalsContact O-CG 3.26Å; F601-L605 WeakPolarHBondContact O-CG 3.49Å; F601-L605 PolarHBondContact O-N 3.17Å
602	Q	94.9	Very high	93	Very high	97 Å²	97	62.3 Å²	62.3	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-66.1	-30.8	174.9	-67.3	-171.9	-54.8	0	0	113.2	Y598 A599 K606	Y598-Q602 HydrophobicContact CD1-CG 4.21Å; Y598-Q602 VanDerWaalsContact CE1-CD 3.49Å; Y598-Q602 HydrophobicContact CE1-CG 3.82Å; Y598-Q602 HydrophobicContact CE2-CG 4.37Å; Y598-Q602 PolarHBondContact O-N 3.29Å; A599-Q602 PolarHBondContact O-N 3.2Å; Q602-K606 WeakPolarHBondContact O-CE 3.42Å
603	E	94.8	Very high	93.3	Very high	104 Å²	104	58.8 Å²	58.8	49%	0.486	31%	0.306	S	S	.	.	H	α-helix	trans	-76.3	-44.6	170.9	-158.4	62.4	-139.3	0	0	111.1	A599 D600 F601 L605 K606	A599-E603 PolarHBondContact O-N 3.19Å; D600-E603 PolarHBondContact O-N 3.15Å; F601-E603 VanDerWaalsContact C-N 3.31Å; F601-E603 PolarHBondContact O-N 3.04Å; E603-L605 VanDerWaalsContact C-N 3.27Å; E603-L605 PolarHBondContact O-N 3.47Å; E603-K606 VanDerWaalsContact CD-NZ 3.27Å; E603-K606 VanDerWaalsContact O-CB 3.31Å; E603-K606 WeakPolarHBondContact O-CB 3.48Å; E603-K606 PolarHBondContact O-N 3.24Å; E603-K606 WeakPolarHBondContact OE1-CD 3.33Å; E603-K606 IonicContact OE1-NZ 3.11Å; E603-K606 PolarHBondContact OE1-NZ 3.35Å; E603-K606 IonicContact OE2-NZ 2.67Å; E603-K606 PolarHBondContact OE2-NZ 3.29Å
604	A	95.9	Very high	93.3	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-34.8	179.1	0	0	0	0	0	113.3	L568 E571 A572 D600 F601 K606 T607 V608	L568-A604 HydrophobicContact CD1-CB 3.6Å; L568-A604 HydrophobicContact CG-CB 4.45Å; E571-A604 HydrophobicContact CB-CB 3.81Å; E571-A604 HydrophobicContact CG-CB 3.48Å; E571-A604 VanDerWaalsContact CG-CB 3.48Å; A572-A604 HydrophobicContact CB-CB 4.2Å; D600-A604 VanDerWaalsContact O-CB 3.26Å; D600-A604 WeakPolarHBondContact O-CB 3.43Å; D600-A604 PolarHBondContact O-N 3.15Å; F601-A604 PolarHBondContact O-N 3.07Å; A604-K606 PolarHBondContact O-N 3Å; A604-T607 PolarHBondContact O-N 3.26Å; A604-V608 PolarHBondContact O-N 3.06Å
605	L	95.2	Very high	93.3	Very high	44 Å²	44	64 Å²	64	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-13.7	173.7	-77.1	167.8	0	0	0	114.1	A556 T557 F560 L568 F601 E603	A556-L605 HydrophobicContact CB-CD1 3.74Å; A556-L605 HydrophobicContact CB-CD2 4.44Å; T557-L605 HydrophobicContact CG2-CD2 3.87Å; F560-L605 HydrophobicContact CE2-CD2 4.38Å; F560-L605 HydrophobicContact CZ-CD2 3.94Å; L568-L605 HydrophobicContact CD1-CD2 3.86Å; L568-L605 HydrophobicContact CD1-CG 3.9Å; L568-L605 HydrophobicContact CD2-CD2 3.96Å; L568-L605 HydrophobicContact CD2-CG 4.44Å; F601-L605 WeakPolarHBondContact O-CB 3.45Å; F601-L605 VanDerWaalsContact O-CG 3.26Å; F601-L605 WeakPolarHBondContact O-CG 3.49Å; F601-L605 PolarHBondContact O-N 3.17Å; E603-L605 VanDerWaalsContact C-N 3.27Å; E603-L605 PolarHBondContact O-N 3.47Å
606	K	94.6	Very high	93.2	Very high	124 Å²	124	66 Å²	66	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-84.8	-36.8	172.4	-56.1	170.7	-165.9	169	0	111.2	Q602 E603 A604	Q602-K606 WeakPolarHBondContact O-CE 3.42Å; E603-K606 VanDerWaalsContact CD-NZ 3.27Å; E603-K606 VanDerWaalsContact O-CB 3.31Å; E603-K606 WeakPolarHBondContact O-CB 3.48Å; E603-K606 PolarHBondContact O-N 3.24Å; E603-K606 WeakPolarHBondContact OE1-CD 3.33Å; E603-K606 IonicContact OE1-NZ 3.11Å; E603-K606 PolarHBondContact OE1-NZ 3.35Å; E603-K606 IonicContact OE2-NZ 2.67Å; E603-K606 PolarHBondContact OE2-NZ 3.29Å; A604-K606 PolarHBondContact O-N 3Å
607	T	93.4	Very high	93.1	Very high	81 Å²	81	67.6 Å²	67.6	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-74.9	-51.2	176	-45	0	0	0	0	111.7	E571 A604	E571-T607 VanDerWaalsContact OE1-CB 3.26Å; E571-T607 WeakPolarHBondContact OE1-CB 3.33Å; E571-T607 WeakPolarHBondContact OE1-CG2 3.4Å; E571-T607 PolarHBondContact OE1-OG1 2.63Å; A604-T607 PolarHBondContact O-N 3.26Å
608	V	94.9	Very high	93	Very high	5 Å²	5	70 Å²	70	3%	0.03	37%	0.367	C	S	.	.			trans	-89.2	125.6	-172.8	-173.2	0	0	0	0	109.8	F560 Q567 L568 E571 A604	F560-V608 HydrophobicContact CD2-CG1 4.47Å; F560-V608 HydrophobicContact CE2-CB 4.38Å; F560-V608 HydrophobicContact CE2-CG1 3.79Å; Q567-V608 HydrophobicContact CG-CG1 4.48Å; Q567-V608 HydrophobicContact CG-CG2 4Å; L568-V608 HydrophobicContact CB-CG1 4.49Å; L568-V608 HydrophobicContact CD1-CB 4.13Å; L568-V608 HydrophobicContact CD1-CG2 4.36Å; E571-V608 HydrophobicContact CB-CG2 4.17Å; E571-V608 HydrophobicContact CG-CG2 4.22Å; A604-V608 PolarHBondContact O-N 3.06Å
609	R	91.9	Very high	93	Very high	195 Å²	195	71.1 Å²	71.1	74%	0.736	38%	0.377	S	S	*	.			trans	-122.1	156.7	177.4	-62.3	-174.8	178.8	-156.4	-1.8	109.8	S611	R609-S611 PolarHBondContact O-N 3.26Å
610	P	91.8	Very high	93	Very high	66 Å²	66	69.2 Å²	69.2	43%	0.429	36%	0.357	S	S	.	.			trans	-54.2	133.4	174.6	-23.9	32.6	0	0	0	111.7	F560	F560-P610 HydrophobicContact CD1-CG 3.82Å; F560-P610 HydrophobicContact CE1-CG 3.72Å
611	S	90.4	Very high	92.9	Very high	72 Å²	72	72.9 Å²	72.9	50%	0.503	37%	0.374	S	S	.	.	S	Bend	trans	-89.3	-4.7	179.6	57.6	0	0	0	0	114.5	D564 R609	D564-S611 VanDerWaalsContact CG-OG 3.25Å; D564-S611 WeakPolarHBondContact OD1-CB 3.34Å; D564-S611 PolarHBondContact OD1-OG 3.47Å; D564-S611 PolarHBondContact OD2-N 2.88Å; D564-S611 VanDerWaalsContact OD2-N 3.08Å; D564-S611 PolarHBondContact OD2-OG 3.35Å; D564-S611 VanDerWaalsContact OD2-OG 3.06Å; R609-S611 PolarHBondContact O-N 3.26Å
612	V	91.3	Very high	92.9	Very high	23 Å²	23	77.2 Å²	77.2	14%	0.139	40%	0.397	C	S	.	.	S	Bend	trans	-124.2	136.8	-171.6	-177.6	0	0	0	0	110.2	P399 P400 L524 L617	P399-V612 HydrophobicContact CB-CG1 3.83Å; P399-V612 HydrophobicContact CB-CG2 3.82Å; P399-V612 HydrophobicContact CG-CG1 4.4Å; P400-V612 HydrophobicContact CG-CG2 4.39Å; L524-V612 HydrophobicContact CD2-CB 4.47Å; L524-V612 HydrophobicContact CD2-CG2 4.19Å; V612-L617 HydrophobicContact CG1-CD2 3.83Å; V612-L617 HydrophobicContact CG1-CG 4.34Å
613	S	90.5	Very high	92.8	Very high	54 Å²	54	73.5 Å²	73.5	38%	0.378	38%	0.379	S	S	.	.			trans	-92.9	151.1	177.1	94.3	0	0	0	0	112.1	K615 D616 L617	S613-K615 PolarHBondContact O-N 3.47Å; S613-K615 PolarHBondContact OG-N 2.77Å; S613-D616 WeakPolarHBondContact CB-OD2 3.43Å; S613-D616 PolarHBondContact N-OD2 3.31Å; S613-D616 PolarHBondContact O-N 2.86Å; S613-D616 VanDerWaalsContact O-N 3.11Å; S613-D616 VanDerWaalsContact OG-CG 3.29Å; S613-D616 PolarHBondContact OG-OD2 3.3Å; S613-L617 PolarHBondContact O-N 3.36Å
614	A	89.4	Confident	92.8	Very high	72 Å²	72	69 Å²	69	60%	0.595	36%	0.358	S	S	*	.	H	α-helix	trans	-59.7	-31.4	178.7	0	0	0	0	0	113.3	D616 L617 E618	A614-D616 VanDerWaalsContact C-N 3.29Å; A614-D616 PolarHBondContact O-N 2.98Å; A614-L617 WeakPolarHBondContact O-CB 3.45Å; A614-L617 PolarHBondContact O-N 2.97Å; A614-E618 PolarHBondContact O-N 2.92Å
615	K	90.1	Very high	92.7	Very high	164 Å²	164	74.2 Å²	74.2	71%	0.713	38%	0.38	S	S	*	.	H	α-helix	trans	-67.5	-30	177.9	-63.1	-175.2	178.4	-175.8	0	112.8	S613 L617	S613-K615 PolarHBondContact O-N 3.47Å; S613-K615 PolarHBondContact OG-N 2.77Å; K615-L617 VanDerWaalsContact C-N 3.31Å
616	D	90.1	Very high	92.6	Very high	78 Å²	78	76.6 Å²	76.6	42%	0.417	40%	0.397	S	S	.	.	H	α-helix	trans	-72.6	-31.1	176.3	-52.3	-57.5	0	0	0	110.6	S613 A614 L619 Y620	S613-D616 WeakPolarHBondContact CB-OD2 3.43Å; S613-D616 PolarHBondContact N-OD2 3.31Å; S613-D616 PolarHBondContact O-N 2.86Å; S613-D616 VanDerWaalsContact O-N 3.11Å; S613-D616 VanDerWaalsContact OG-CG 3.29Å; S613-D616 PolarHBondContact OG-OD2 3.3Å; A614-D616 VanDerWaalsContact C-N 3.29Å; A614-D616 PolarHBondContact O-N 2.98Å; D616-L619 PolarHBondContact O-N 2.69Å; D616-Y620 HydrophobicContact CB-CE2 4.19Å; D616-Y620 WeakPolarHBondContact O-CD2 3.32Å; D616-Y620 WeakPolarHBondContact O-CE2 3.16Å; D616-Y620 PolarHBondContact O-N 3.45Å
617	L	92.4	Very high	92.5	Very high	39 Å²	39	74.2 Å²	74.2	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-65.1	-45.4	177	-57.2	178.8	0	0	0	112	P399 L524 V612 S613 A614 K615 L619 Y620 E621	P399-L617 HydrophobicContact CG-CD2 4.02Å; L524-L617 HydrophobicContact CD1-CD1 3.8Å; L524-L617 HydrophobicContact CD1-CD2 3.83Å; L524-L617 HydrophobicContact CD1-CG 4.43Å; L524-L617 HydrophobicContact CG-CD2 4.04Å; V612-L617 HydrophobicContact CG1-CD2 3.83Å; V612-L617 HydrophobicContact CG1-CG 4.34Å; S613-L617 PolarHBondContact O-N 3.36Å; A614-L617 WeakPolarHBondContact O-CB 3.45Å; A614-L617 PolarHBondContact O-N 2.97Å; K615-L617 VanDerWaalsContact C-N 3.31Å; L617-L619 PolarHBondContact O-N 3.06Å; L617-Y620 PolarHBondContact O-N 3.44Å; L617-Y620 VanDerWaalsContact O-N 3.11Å; L617-E621 WeakPolarHBondContact O-CG 3.34Å; L617-E621 PolarHBondContact O-N 3.27Å
618	E	93	Very high	92.3	Very high	122 Å²	122	71.4 Å²	71.4	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-52	-43.7	174.5	-65.5	171.8	173.9	0	0	111.3	A614 E621 D622	A614-E618 PolarHBondContact O-N 2.92Å; E618-E621 PolarHBondContact O-N 3.47Å; E618-D622 PolarHBondContact O-N 3.4Å
619	L	93.1	Very high	91.4	Very high	81 Å²	81	73.2 Å²	73.2	42%	0.424	39%	0.386	S	S	.	.	H	α-helix	trans	-66.2	-39.8	178.8	-177.7	147.7	0	0	0	113.1	D616 L617 W623	D616-L619 PolarHBondContact O-N 2.69Å; L617-L619 PolarHBondContact O-N 3.06Å; L619-W623 WeakPolarHBondContact O-CB 3.4Å; L619-W623 PolarHBondContact O-N 3.49Å; L619-W623 VanDerWaalsContact O-N 3.15Å
620	Y	94.6	Very high	90	Very high	19 Å²	19	65.4 Å²	65.4	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-68.8	-38.4	174.7	-62.6	-64.9	0	0	0	112.1	P399 N503 P505 Y521 D616 L617 N624	P399-Y620 HydrophobicContact CB-CE2 3.85Å; P399-Y620 HydrophobicContact CG-CD2 4.36Å; P399-Y620 HydrophobicContact CG-CE2 4.16Å; N503-Y620 WeakPolarHBondContact O-CE1 3.29Å; N503-Y620 PolarHBondContact O-OH 2.76Å; P505-Y620 HydrophobicContact CG-CD1 4.22Å; Y521-Y620 HydrophobicContact CE2-CG 4.16Å; D616-Y620 HydrophobicContact CB-CE2 4.19Å; D616-Y620 WeakPolarHBondContact O-CD2 3.32Å; D616-Y620 WeakPolarHBondContact O-CE2 3.16Å; D616-Y620 PolarHBondContact O-N 3.45Å; L617-Y620 PolarHBondContact O-N 3.44Å; L617-Y620 VanDerWaalsContact O-N 3.11Å; Y620-N624 WeakPolarHBondContact O-CB 3.46Å; Y620-N624 PolarHBondContact O-N 3.12Å
621	E	93.4	Very high	88.1	Confident	88 Å²	88	75.5 Å²	75.5	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-46.9	177.8	-75.1	-172.8	-163.6	0	0	112.2	Y521 L617 E618 W623 N624 K625	Y521-E621 HydrophobicContact CE1-CG 4.28Å; L617-E621 WeakPolarHBondContact O-CG 3.34Å; L617-E621 PolarHBondContact O-N 3.27Å; E618-E621 PolarHBondContact O-N 3.47Å; E621-W623 VanDerWaalsContact C-N 3.32Å; E621-W623 PolarHBondContact O-N 3.02Å; E621-N624 WeakPolarHBondContact O-CB 3.3Å; E621-N624 PolarHBondContact O-N 2.76Å; E621-N624 VanDerWaalsContact O-N 3.14Å; E621-K625 VanDerWaalsContact O-CG 3.25Å; E621-K625 WeakPolarHBondContact O-CG 3.43Å; E621-K625 PolarHBondContact O-N 2.91Å; E621-K625 IonicContact OE2-NZ 3.7Å; E621-K625 PolarHBondContact OE2-NZ 3.09Å
622	D	94.3	Very high	88	Confident	91 Å²	91	75.7 Å²	75.7	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-68.8	-32.8	179.7	-76.3	-2.3	0	0	0	112.1	E618 K625 T626	E618-D622 PolarHBondContact O-N 3.4Å; D622-K625 WeakPolarHBondContact OD1-CD 3.48Å; D622-K625 IonicContact OD1-NZ 3.43Å; D622-K625 PolarHBondContact OD1-NZ 2.93Å; D622-T626 WeakPolarHBondContact O-CB 3.49Å; D622-T626 PolarHBondContact O-N 2.97Å; D622-T626 VanDerWaalsContact O-N 3.15Å; D622-T626 PolarHBondContact O-OG1 3.37Å
623	W	94.6	Very high	87.9	Confident	19 Å²	19	78.4 Å²	78.4	7%	0.072	40%	0.403	C	S	.	.	H	α-helix	trans	-66.2	-40.1	169.1	-161.3	103.8	0	0	0	111.9	L395 F397 P505 R513 R519 L619 E621 T626 F627	L395-W623 HydrophobicContact CD2-CH2 3.98Å; F397-W623 HydrophobicContact CD1-CE3 4.25Å; F397-W623 AromaticContact CD1-CZ3 3.78Å; F397-W623 HydrophobicContact CD1-CZ3 3.78Å; F397-W623 HydrophobicContact CD2-CE3 4.08Å; F397-W623 HydrophobicContact CD2-CZ3 4.41Å; F397-W623 AromaticContact CE1-CE3 3.87Å; F397-W623 HydrophobicContact CE1-CE3 3.87Å; F397-W623 AromaticContact CE1-CZ3 3.51Å; F397-W623 HydrophobicContact CE1-CZ3 3.51Å; F397-W623 AromaticContact CE2-CE3 3.68Å; F397-W623 HydrophobicContact CE2-CE3 3.68Å; F397-W623 HydrophobicContact CE2-CZ3 4.18Å; F397-W623 HydrophobicContact CG-CE3 4.35Å; F397-W623 HydrophobicContact CG-CZ3 4.22Å; F397-W623 AromaticContact CZ-CE3 3.56Å; F397-W623 HydrophobicContact CZ-CE3 3.56Å; F397-W623 AromaticContact CZ-CZ3 3.73Å; F397-W623 HydrophobicContact CZ-CZ3 3.73Å; P505-W623 VanDerWaalsContact C-NE1 3.26Å; P505-W623 HydrophobicContact CB-CD2 3.74Å; P505-W623 HydrophobicContact CB-CE3 4.04Å; P505-W623 HydrophobicContact CB-CG 4.23Å; P505-W623 HydrophobicContact CB-CH2 4.05Å; P505-W623 HydrophobicContact CB-CZ2 3.71Å; P505-W623 HydrophobicContact CB-CZ3 4.21Å; P505-W623 HydrophobicContact CG-CD2 4Å; P505-W623 HydrophobicContact CG-CE3 4.4Å; P505-W623 HydrophobicContact CG-CG 4.04Å; P505-W623 WeakPolarHBondContact O-CZ2 3.31Å; P505-W623 PolarHBondContact O-NE1 2.7Å; R513-W623 HydrophobicContact CG-CZ2 4.43Å; R519-W623 HydrophobicContact CB-CH2 4.22Å; R519-W623 HydrophobicContact CB-CZ3 4.01Å; R519-W623 HydrophobicContact CG-CH2 4.08Å; R519-W623 HydrophobicContact CG-CZ3 4.37Å; L619-W623 WeakPolarHBondContact O-CB 3.4Å; L619-W623 PolarHBondContact O-N 3.49Å; L619-W623 VanDerWaalsContact O-N 3.15Å; E621-W623 VanDerWaalsContact C-N 3.32Å; E621-W623 PolarHBondContact O-N 3.02Å; W623-T626 PolarHBondContact O-N 3.41Å; W623-F627 HydrophobicContact CD2-CB 4.16Å; W623-F627 AromaticContact CD2-CD2 3.91Å; W623-F627 HydrophobicContact CD2-CD2 3.91Å; W623-F627 AromaticContact CE2-CD2 3.66Å; W623-F627 HydrophobicContact CE3-CB 3.99Å; W623-F627 HydrophobicContact CG-CD2 4.13Å; W623-F627 HydrophobicContact CH2-CB 3.84Å; W623-F627 HydrophobicContact CZ2-CB 4.01Å; W623-F627 HydrophobicContact CZ2-CD2 4.18Å; W623-F627 HydrophobicContact CZ2-CG 4.36Å; W623-F627 HydrophobicContact CZ3-CB 3.82Å; W623-F627 AromaticContact NE1-CD2 3.73Å; W623-F627 PolarHBondContact O-N 2.79Å
624	N	94.8	Very high	87.7	Confident	10 Å²	10	79.8 Å²	79.8	5%	0.053	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-47.5	175.1	178.5	58.8	0	0	0	111.9	F397 Y521 Y620 E621 T626 G628 R631	F397-N624 HydrophobicContact CE2-CB 3.98Å; F397-N624 HydrophobicContact CZ-CB 3.74Å; Y521-N624 HydrophobicContact CD1-CB 4.39Å; Y521-N624 HydrophobicContact CG-CB 4.38Å; Y620-N624 WeakPolarHBondContact O-CB 3.46Å; Y620-N624 PolarHBondContact O-N 3.12Å; E621-N624 WeakPolarHBondContact O-CB 3.3Å; E621-N624 PolarHBondContact O-N 2.76Å; E621-N624 VanDerWaalsContact O-N 3.14Å; N624-T626 PolarHBondContact O-N 2.92Å; N624-G628 VanDerWaalsContact O-CA 3.28Å; N624-G628 WeakPolarHBondContact O-CA 3.47Å; N624-G628 PolarHBondContact O-N 3.47Å; N624-R631 PolarHBondContact ND2-O 2.88Å
625	K	93.8	Very high	87.6	Confident	112 Å²	112	80.2 Å²	80.2	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-56.5	-31.9	174.9	-66.8	160.9	-151.8	159.2	0	112.2	E621 D622	E621-K625 VanDerWaalsContact O-CG 3.25Å; E621-K625 WeakPolarHBondContact O-CG 3.43Å; E621-K625 PolarHBondContact O-N 2.91Å; E621-K625 IonicContact OE2-NZ 3.7Å; E621-K625 PolarHBondContact OE2-NZ 3.09Å; D622-K625 WeakPolarHBondContact OD1-CD 3.48Å; D622-K625 IonicContact OD1-NZ 3.43Å; D622-K625 PolarHBondContact OD1-NZ 2.93Å
626	T	93.1	Very high	87.5	Confident	94 Å²	94	75 Å²	75	58%	0.577	37%	0.374	S	S	*	.	H	α-helix	trans	-91.8	-38.2	-175.3	-50.6	0	0	0	0	114.1	D622 W623 N624	D622-T626 WeakPolarHBondContact O-CB 3.49Å; D622-T626 PolarHBondContact O-N 2.97Å; D622-T626 VanDerWaalsContact O-N 3.15Å; D622-T626 PolarHBondContact O-OG1 3.37Å; W623-T626 PolarHBondContact O-N 3.41Å; N624-T626 PolarHBondContact O-N 2.92Å
627	F	92.7	Very high	87.3	Confident	74 Å²	74	74.8 Å²	74.8	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-132.3	-10.1	-170.4	-58.5	-65	0	0	0	115.3	R513 R519 W623	R513-F627 VanDerWaalsContact NH1-CE1 3.3Å; R519-F627 WeakPolarHBondContact CD-O 3.38Å; R519-F627 PolarHBondContact NH1-O 3.17Å; W623-F627 HydrophobicContact CD2-CB 4.16Å; W623-F627 AromaticContact CD2-CD2 3.91Å; W623-F627 HydrophobicContact CD2-CD2 3.91Å; W623-F627 AromaticContact CE2-CD2 3.66Å; W623-F627 HydrophobicContact CE3-CB 3.99Å; W623-F627 HydrophobicContact CG-CD2 4.13Å; W623-F627 HydrophobicContact CH2-CB 3.84Å; W623-F627 HydrophobicContact CZ2-CB 4.01Å; W623-F627 HydrophobicContact CZ2-CD2 4.18Å; W623-F627 HydrophobicContact CZ2-CG 4.36Å; W623-F627 HydrophobicContact CZ3-CB 3.82Å; W623-F627 AromaticContact NE1-CD2 3.73Å; W623-F627 PolarHBondContact O-N 2.79Å
628	G	87.9	Confident	86.9	Confident	21 Å²	21	77.4 Å²	77.4	22%	0.216	38%	0.383	C	S	.	.	S	Bend	trans	-74.6	-166.7	-175	0	0	0	0	0	114.5	R519 N624	R519-G628 CarbonylContact O-C 3.6Å; N624-G628 VanDerWaalsContact O-CA 3.28Å; N624-G628 WeakPolarHBondContact O-CA 3.47Å; N624-G628 PolarHBondContact O-N 3.47Å
629	C	77.3	Confident	86.4	Confident	43 Å²	43	73.9 Å²	73.9	29%	0.291	37%	0.368	S	S	.	.	S	Bend	trans	-122.4	5	177.4	-69.6	0	0	0	0	113.2	F365 R519 L520	F365-C629 WeakPolarHBondContact CZ-O 3.33Å; R519-C629 PolarHBondContact N-SG 3.48Å; R519-C629 WeakPolarHBondContact O-CB 3.4Å; R519-C629 PolarHBondContact O-N 2.87Å; R519-C629 PolarHBondContact O-SG 3.1Å; L520-C629 HydrophobicContact CD2-CB 4.12Å
630	G	61.9	Low	85.9	Confident	31 Å²	31	73.3 Å²	73.3	32%	0.32	36%	0.363	S	S	.	.			trans	-111.6	-177.9	179.2	0	0	0	0	0	113.3
631	R	52.3	Low	85.1	Confident	278 Å²	278	78.3 Å²	78.3	100%	1.049	39%	0.39	S	S	*	.			trans	-76.6	0	158.7	-72.9	-176.9	172.8	178.6	-2.8	110.3	N624	N624-R631 PolarHBondContact ND2-O 2.88Å

Retrieved 631 of 631 residues in 1076.6 ms (Link to these results)

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