A0A087XK75_POEFO Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XK75, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.2	Low	74.7	Confident	187 Å²	187	115.7 Å²	115.7	92%	0.921	54%	0.542	S	S	*	.				0	136.9	0	-59.7	176.8	81.6	0	0	109.2	I9	M1-I9 HydrophobicContact CE-CD1 3.42Å; M1-I9 VanDerWaalsContact CE-CD1 3.42Å
2	S	75.6	Confident	75.8	Confident	69 Å²	69	113.4 Å²	113.4	48%	0.483	54%	0.535	S	S	.	.			trans	-76.9	162.1	176.3	62.8	0	0	0	0	112.1	E4 A5 V6	S2-E4 PolarHBondContact O-N 3.28Å; S2-E4 WeakPolarHBondContact OG-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.33Å; S2-A5 PolarHBondContact OG-N 2.87Å; S2-V6 PolarHBondContact O-N 3.43Å
3	R	71.5	Confident	76.6	Confident	225 Å²	225	115.8 Å²	115.8	85%	0.849	54%	0.543	S	S	*	.	H	α-helix	trans	-59.2	-30.3	169.8	-70.3	-179.3	176.2	175.1	-1.1	111.6	R7	R3-R7 PolarHBondContact O-N 2.74Å
4	E	69.9	Low	77.2	Confident	102 Å²	102	120.5 Å²	120.5	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-58.5	-52.4	173	-141.4	89.2	-94.4	0	0	112.2	S2 V6 R7 K8	S2-E4 PolarHBondContact O-N 3.28Å; S2-E4 WeakPolarHBondContact OG-CB 3.48Å; E4-V6 VanDerWaalsContact C-N 3.3Å; E4-V6 PolarHBondContact O-N 2.94Å; E4-R7 WeakPolarHBondContact O-CA 3.45Å; E4-R7 WeakPolarHBondContact O-CB 3.34Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-R7 IonicContact OE1-CZ 2.7Å; E4-R7 IonicContact OE1-NH1 2.62Å; E4-R7 PolarHBondContact OE1-NH1 3.06Å; E4-R7 IonicContact OE1-NH2 3.49Å; E4-R7 PolarHBondContact OE1-NH2 3.19Å; E4-K8 PolarHBondContact O-N 2.99Å
5	A	65.3	Low	77.8	Confident	31 Å²	31	119.5 Å²	119.5	26%	0.256	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-41.1	-178.7	0	0	0	0	0	111.2	S2 R7 K8 I9	S2-A5 PolarHBondContact O-N 3.33Å; S2-A5 PolarHBondContact OG-N 2.87Å; A5-R7 VanDerWaalsContact C-N 3.31Å; A5-R7 PolarHBondContact O-N 3.29Å; A5-K8 PolarHBondContact O-N 3.06Å; A5-I9 WeakPolarHBondContact O-CB 3.39Å; A5-I9 WeakPolarHBondContact O-CD1 3.49Å; A5-I9 VanDerWaalsContact O-CG1 3.24Å; A5-I9 WeakPolarHBondContact O-CG1 3.37Å; A5-I9 PolarHBondContact O-N 2.85Å
6	V	77.5	Confident	78.3	Confident	60 Å²	60	117.9 Å²	117.9	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-65.5	-33.2	175.7	-179.9	0	0	0	0	111.9	S2 E4 R10	S2-V6 PolarHBondContact O-N 3.43Å; E4-V6 VanDerWaalsContact C-N 3.3Å; E4-V6 PolarHBondContact O-N 2.94Å; V6-R10 WeakPolarHBondContact O-CB 3.48Å; V6-R10 VanDerWaalsContact O-CG 3.29Å; V6-R10 WeakPolarHBondContact O-CG 3.25Å; V6-R10 PolarHBondContact O-N 3.04Å
7	R	77.3	Confident	78.9	Confident	146 Å²	146	119.9 Å²	119.9	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-69.1	-48.5	171.9	-77.3	-166.3	-96.8	88.6	-2.1	111.8	R3 E4 A5 I9 R10 S11	R3-R7 PolarHBondContact O-N 2.74Å; E4-R7 WeakPolarHBondContact O-CA 3.45Å; E4-R7 WeakPolarHBondContact O-CB 3.34Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-R7 IonicContact OE1-CZ 2.7Å; E4-R7 IonicContact OE1-NH1 2.62Å; E4-R7 PolarHBondContact OE1-NH1 3.06Å; E4-R7 IonicContact OE1-NH2 3.49Å; E4-R7 PolarHBondContact OE1-NH2 3.19Å; A5-R7 VanDerWaalsContact C-N 3.31Å; A5-R7 PolarHBondContact O-N 3.29Å; R7-I9 PolarHBondContact O-N 3.04Å; R7-R10 PolarHBondContact O-N 2.94Å; R7-S11 PolarHBondContact O-N 2.92Å
8	K	83	Confident	79.4	Confident	145 Å²	145	118.6 Å²	118.6	63%	0.63	55%	0.546	S	S	*	.	H	α-helix	trans	-58.1	-47.7	177.3	-71.7	-169.8	175.2	-171.8	0	112.1	E4 A5 R10 S11 I12	E4-K8 PolarHBondContact O-N 2.99Å; A5-K8 PolarHBondContact O-N 3.06Å; K8-R10 VanDerWaalsContact C-N 3.31Å; K8-R10 PolarHBondContact O-N 2.85Å; K8-S11 WeakPolarHBondContact O-CB 3.11Å; K8-S11 PolarHBondContact O-N 3.37Å; K8-I12 WeakPolarHBondContact O-CG1 3.15Å; K8-I12 PolarHBondContact O-N 3.26Å
9	I	82.7	Confident	79.7	Confident	69 Å²	69	116.1 Å²	116.1	35%	0.354	54%	0.54	S	S	.	.	H	α-helix	trans	-58.5	-40.8	176.6	-70.6	165.2	0	0	0	111.5	M1 A5 R7 S11 I12 F13	M1-I9 HydrophobicContact CE-CD1 3.42Å; M1-I9 VanDerWaalsContact CE-CD1 3.42Å; A5-I9 WeakPolarHBondContact O-CB 3.39Å; A5-I9 WeakPolarHBondContact O-CD1 3.49Å; A5-I9 VanDerWaalsContact O-CG1 3.24Å; A5-I9 WeakPolarHBondContact O-CG1 3.37Å; A5-I9 PolarHBondContact O-N 2.85Å; R7-I9 PolarHBondContact O-N 3.04Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 2.79Å; I9-I12 PolarHBondContact O-N 3Å; I9-F13 HydrophobicContact CG2-CD2 3.67Å; I9-F13 HydrophobicContact CG2-CE2 3.75Å; I9-F13 VanDerWaalsContact O-CD2 3.32Å; I9-F13 WeakPolarHBondContact O-CD2 3.37Å; I9-F13 PolarHBondContact O-N 3.16Å
10	R	76.8	Confident	80.1	Confident	183 Å²	183	113.9 Å²	113.9	69%	0.691	54%	0.535	S	S	*	.	H	α-helix	trans	-69.3	-27	175.9	-76.8	177.1	178	-174.2	-0.1	114	V6 R7 K8 R14	V6-R10 WeakPolarHBondContact O-CB 3.48Å; V6-R10 VanDerWaalsContact O-CG 3.29Å; V6-R10 WeakPolarHBondContact O-CG 3.25Å; V6-R10 PolarHBondContact O-N 3.04Å; R7-R10 PolarHBondContact O-N 2.94Å; K8-R10 VanDerWaalsContact C-N 3.31Å; K8-R10 PolarHBondContact O-N 2.85Å; R10-R14 WeakPolarHBondContact O-CB 3.21Å; R10-R14 PolarHBondContact O-N 2.93Å
11	S	81.1	Confident	80.4	Confident	56 Å²	56	111.7 Å²	111.7	39%	0.392	53%	0.526	S	S	.	.	H	α-helix	trans	-68.8	-52.5	171.4	-147.4	0	0	0	0	110.1	R7 K8 I9 F13 R14 E15	R7-S11 PolarHBondContact O-N 2.92Å; K8-S11 WeakPolarHBondContact O-CB 3.11Å; K8-S11 PolarHBondContact O-N 3.37Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 2.79Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 3.23Å; S11-R14 CarbonylContact O-C 3.56Å; S11-R14 WeakPolarHBondContact O-CA 3.27Å; S11-R14 WeakPolarHBondContact O-CB 3.46Å; S11-R14 PolarHBondContact O-N 2.9Å; S11-E15 VanDerWaalsContact CB-OE1 3.28Å; S11-E15 WeakPolarHBondContact CB-OE1 3.14Å; S11-E15 PolarHBondContact O-N 3.37Å; S11-E15 PolarHBondContact OG-OE1 3.03Å
12	I	87.9	Confident	81.6	Confident	88 Å²	88	107.1 Å²	107.1	45%	0.451	51%	0.509	S	S	.	.	H	α-helix	trans	-56.5	-44.6	178.8	-63.6	162.9	0	0	0	111.2	K8 I9 R14 E15 L16	K8-I12 WeakPolarHBondContact O-CG1 3.15Å; K8-I12 PolarHBondContact O-N 3.26Å; I9-I12 PolarHBondContact O-N 3Å; I12-R14 VanDerWaalsContact C-N 3.3Å; I12-R14 PolarHBondContact O-N 3.1Å; I12-E15 PolarHBondContact O-N 3.22Å; I12-L16 HydrophobicContact CG2-CD1 3.8Å; I12-L16 HydrophobicContact CG2-CG 4.3Å; I12-L16 WeakPolarHBondContact O-CB 3.18Å; I12-L16 VanDerWaalsContact O-CG 3.27Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.16Å
13	F	85.6	Confident	82.2	Confident	145 Å²	145	109.2 Å²	109.2	64%	0.636	51%	0.511	S	S	*	.	H	α-helix	trans	-65.5	-27.8	174.6	-88.4	-66.3	0	0	0	114.1	I9 S11 Y17	I9-F13 HydrophobicContact CG2-CD2 3.67Å; I9-F13 HydrophobicContact CG2-CE2 3.75Å; I9-F13 VanDerWaalsContact O-CD2 3.32Å; I9-F13 WeakPolarHBondContact O-CD2 3.37Å; I9-F13 PolarHBondContact O-N 3.16Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 3.23Å; F13-Y17 VanDerWaalsContact O-CB 3.23Å; F13-Y17 WeakPolarHBondContact O-CB 3.47Å; F13-Y17 PolarHBondContact O-N 3.25Å
14	R	85.8	Confident	82.3	Confident	181 Å²	181	102.2 Å²	102.2	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-77.3	-42.3	174.3	174.8	177.5	-76.3	-156.7	-5.3	111.2	R10 S11 I12 Y17 L18	R10-R14 WeakPolarHBondContact O-CB 3.21Å; R10-R14 PolarHBondContact O-N 2.93Å; S11-R14 CarbonylContact O-C 3.56Å; S11-R14 WeakPolarHBondContact O-CA 3.27Å; S11-R14 WeakPolarHBondContact O-CB 3.46Å; S11-R14 PolarHBondContact O-N 2.9Å; I12-R14 VanDerWaalsContact C-N 3.3Å; I12-R14 PolarHBondContact O-N 3.1Å; R14-Y17 PolarHBondContact O-N 2.83Å; R14-L18 HydrophobicContact CG-CD1 4.18Å; R14-L18 WeakPolarHBondContact O-CG 3.32Å; R14-L18 PolarHBondContact O-N 3.34Å
15	E	85.9	Confident	83.1	Confident	105 Å²	105	101.5 Å²	101.5	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-52.9	176.9	-73.2	148	-135.7	0	0	110.3	S11 I12 Y17 L18 T19	S11-E15 VanDerWaalsContact CB-OE1 3.28Å; S11-E15 WeakPolarHBondContact CB-OE1 3.14Å; S11-E15 PolarHBondContact O-N 3.37Å; S11-E15 PolarHBondContact OG-OE1 3.03Å; I12-E15 PolarHBondContact O-N 3.22Å; E15-Y17 VanDerWaalsContact C-N 3.26Å; E15-Y17 PolarHBondContact O-N 2.83Å; E15-L18 WeakPolarHBondContact O-CA 3.3Å; E15-L18 WeakPolarHBondContact O-CB 3.18Å; E15-L18 PolarHBondContact O-N 2.78Å; E15-T19 PolarHBondContact O-N 3.22Å; E15-T19 PolarHBondContact O-OG1 3.24Å
16	L	86	Confident	84	Confident	95 Å²	95	103 Å²	103	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-55.9	-38.3	174.5	-71.8	171.3	0	0	0	113	I12 L18 T19 V20	I12-L16 HydrophobicContact CG2-CD1 3.8Å; I12-L16 HydrophobicContact CG2-CG 4.3Å; I12-L16 WeakPolarHBondContact O-CB 3.18Å; I12-L16 VanDerWaalsContact O-CG 3.27Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.16Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 2.84Å; L16-V20 WeakPolarHBondContact O-CB 3.27Å; L16-V20 VanDerWaalsContact O-CG2 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.28Å; L16-V20 PolarHBondContact O-N 2.85Å
17	Y	88.1	Confident	84.1	Confident	151 Å²	151	105 Å²	105	59%	0.592	51%	0.508	S	S	*	.	H	α-helix	trans	-67	-35.2	176.2	179.2	-107.7	0	0	0	112.3	F13 R14 E15 L21	F13-Y17 VanDerWaalsContact O-CB 3.23Å; F13-Y17 WeakPolarHBondContact O-CB 3.47Å; F13-Y17 PolarHBondContact O-N 3.25Å; R14-Y17 PolarHBondContact O-N 2.83Å; E15-Y17 VanDerWaalsContact C-N 3.26Å; E15-Y17 PolarHBondContact O-N 2.83Å; Y17-L21 HydrophobicContact CD1-CD1 4.03Å; Y17-L21 HydrophobicContact CE1-CD1 3.54Å; Y17-L21 HydrophobicContact CE1-CG 4.39Å; Y17-L21 HydrophobicContact CE2-CD1 4.48Å; Y17-L21 WeakPolarHBondContact O-CG 3.22Å; Y17-L21 PolarHBondContact O-N 2.65Å; Y17-L21 VanDerWaalsContact O-N 3.09Å
18	L	87.9	Confident	84.3	Confident	97 Å²	97	102.8 Å²	102.8	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-73.3	-41.9	176.1	-70.1	168.5	0	0	0	112.1	R14 E15 L16 L21 T22	R14-L18 HydrophobicContact CG-CD1 4.18Å; R14-L18 WeakPolarHBondContact O-CG 3.32Å; R14-L18 PolarHBondContact O-N 3.34Å; E15-L18 WeakPolarHBondContact O-CA 3.3Å; E15-L18 WeakPolarHBondContact O-CB 3.18Å; E15-L18 PolarHBondContact O-N 2.78Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L18-L21 PolarHBondContact O-N 2.96Å; L18-T22 PolarHBondContact O-N 3.09Å; L18-T22 PolarHBondContact O-OG1 3.33Å
19	T	85.6	Confident	83.9	Confident	71 Å²	71	99 Å²	99	44%	0.436	49%	0.489	S	S	.	.	H	α-helix	trans	-60.7	-47.3	174	11.1	0	0	0	0	111.3	E15 L16 L21 T22 E23	E15-T19 PolarHBondContact O-N 3.22Å; E15-T19 PolarHBondContact O-OG1 3.24Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 2.84Å; T19-L21 VanDerWaalsContact C-N 3.27Å; T19-L21 PolarHBondContact O-N 3.34Å; T19-T22 WeakPolarHBondContact CA-OG1 3.47Å; T19-T22 PolarHBondContact O-N 2.78Å; T19-T22 VanDerWaalsContact O-N 3.08Å; T19-T22 PolarHBondContact O-OG1 2.78Å; T19-E23 WeakPolarHBondContact O-CG 3.32Å; T19-E23 PolarHBondContact O-N 3.18Å
20	V	87.8	Confident	83.7	Confident	71 Å²	71	102.2 Å²	102.2	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-36.2	176.5	169.5	0	0	0	0	111.6	L16 N24	L16-V20 WeakPolarHBondContact O-CB 3.27Å; L16-V20 VanDerWaalsContact O-CG2 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.28Å; L16-V20 PolarHBondContact O-N 2.85Å; V20-N24 WeakPolarHBondContact O-CB 3.38Å; V20-N24 PolarHBondContact O-N 3.36Å; V20-N24 PolarHBondContact O-ND2 3.08Å
21	L	85.5	Confident	83.7	Confident	68 Å²	68	96.7 Å²	96.7	36%	0.356	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-46.3	172.5	-77.6	173.3	0	0	0	112.1	Y17 L18 T19 E23 N24 E25	Y17-L21 HydrophobicContact CD1-CD1 4.03Å; Y17-L21 HydrophobicContact CE1-CD1 3.54Å; Y17-L21 HydrophobicContact CE1-CG 4.39Å; Y17-L21 HydrophobicContact CE2-CD1 4.48Å; Y17-L21 WeakPolarHBondContact O-CG 3.22Å; Y17-L21 PolarHBondContact O-N 2.65Å; Y17-L21 VanDerWaalsContact O-N 3.09Å; L18-L21 PolarHBondContact O-N 2.96Å; T19-L21 VanDerWaalsContact C-N 3.27Å; T19-L21 PolarHBondContact O-N 3.34Å; L21-E23 VanDerWaalsContact C-N 3.35Å; L21-E23 PolarHBondContact O-N 3.12Å; L21-N24 PolarHBondContact O-N 3.44Å; L21-E25 PolarHBondContact O-N 3.32Å
22	T	86.6	Confident	83.3	Confident	91 Å²	91	99.7 Å²	99.7	56%	0.558	49%	0.489	S	S	*	.	H	α-helix	trans	-63.7	-37.9	178.1	48.8	0	0	0	0	113	L18 T19 E25 A26	L18-T22 PolarHBondContact O-N 3.09Å; L18-T22 PolarHBondContact O-OG1 3.33Å; T19-T22 WeakPolarHBondContact CA-OG1 3.47Å; T19-T22 PolarHBondContact O-N 2.78Å; T19-T22 VanDerWaalsContact O-N 3.08Å; T19-T22 PolarHBondContact O-OG1 2.78Å; T22-E25 PolarHBondContact O-N 3.41Å; T22-A26 WeakPolarHBondContact O-CB 3.33Å; T22-A26 PolarHBondContact O-N 3.33Å
23	E	87.6	Confident	82.6	Confident	114 Å²	114	104.9 Å²	104.9	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-66	-38.4	173.9	-71.3	177	164.1	0	0	111.8	T19 L21 A26 L27	T19-E23 WeakPolarHBondContact O-CG 3.32Å; T19-E23 PolarHBondContact O-N 3.18Å; L21-E23 VanDerWaalsContact C-N 3.35Å; L21-E23 PolarHBondContact O-N 3.12Å; E23-A26 PolarHBondContact O-N 3.34Å; E23-L27 WeakPolarHBondContact O-CB 3.4Å; E23-L27 VanDerWaalsContact O-CG 3.24Å; E23-L27 WeakPolarHBondContact O-CG 3.3Å; E23-L27 PolarHBondContact O-N 2.82Å
24	N	75.1	Confident	81.9	Confident	78 Å²	78	104.7 Å²	104.7	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-38.2	176.3	-86.9	-87	0	0	0	112.6	V20 L21 L27 K28	V20-N24 WeakPolarHBondContact O-CB 3.38Å; V20-N24 PolarHBondContact O-N 3.36Å; V20-N24 PolarHBondContact O-ND2 3.08Å; L21-N24 PolarHBondContact O-N 3.44Å; N24-L27 PolarHBondContact O-N 2.76Å; N24-K28 VanDerWaalsContact O-CG 3.29Å; N24-K28 WeakPolarHBondContact O-CG 3.44Å; N24-K28 PolarHBondContact O-N 3.45Å
25	E	86.9	Confident	81.5	Confident	86 Å²	86	102.5 Å²	102.5	40%	0.402	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-41.4	172.5	-59.2	-46.6	134.3	0	0	111.8	L21 T22 L27 K28 D29	L21-E25 PolarHBondContact O-N 3.32Å; T22-E25 PolarHBondContact O-N 3.41Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.31Å; E25-K28 WeakPolarHBondContact O-CB 3.47Å; E25-K28 PolarHBondContact O-N 2.9Å; E25-K28 IonicContact OE1-NZ 2.72Å; E25-K28 PolarHBondContact OE1-NZ 2.85Å; E25-K28 WeakPolarHBondContact OE2-CD 3.42Å; E25-K28 IonicContact OE2-NZ 2.99Å; E25-K28 PolarHBondContact OE2-NZ 3.38Å; E25-D29 PolarHBondContact O-N 2.81Å
26	A	83.5	Confident	80.4	Confident	63 Å²	63	100.6 Å²	100.6	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-35.3	174.4	0	0	0	0	0	112.8	T22 E23 K30	T22-A26 WeakPolarHBondContact O-CB 3.33Å; T22-A26 PolarHBondContact O-N 3.33Å; E23-A26 PolarHBondContact O-N 3.34Å; A26-K30 WeakPolarHBondContact O-CB 3.41Å; A26-K30 PolarHBondContact O-N 2.86Å
27	L	79.8	Confident	78.7	Confident	103 Å²	103	102.5 Å²	102.5	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-70.3	-39.6	173.1	-75.6	169.1	0	0	0	112.3	E23 N24 E25 D29 K30 V31	E23-L27 WeakPolarHBondContact O-CB 3.4Å; E23-L27 VanDerWaalsContact O-CG 3.24Å; E23-L27 WeakPolarHBondContact O-CG 3.3Å; E23-L27 PolarHBondContact O-N 2.82Å; N24-L27 PolarHBondContact O-N 2.76Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.31Å; L27-D29 VanDerWaalsContact C-N 3.34Å; L27-K30 PolarHBondContact O-N 2.87Å; L27-V31 WeakPolarHBondContact O-CB 3.19Å; L27-V31 VanDerWaalsContact O-CG2 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.33Å; L27-V31 PolarHBondContact O-N 3.47Å
28	K	80.6	Confident	76.8	Confident	99 Å²	99	103.6 Å²	103.6	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-62.3	-40.2	172	-72.7	161.8	177	177	0	112.1	N24 E25 K30 V31 R32	N24-K28 VanDerWaalsContact O-CG 3.29Å; N24-K28 WeakPolarHBondContact O-CG 3.44Å; N24-K28 PolarHBondContact O-N 3.45Å; E25-K28 WeakPolarHBondContact O-CB 3.47Å; E25-K28 PolarHBondContact O-N 2.9Å; E25-K28 IonicContact OE1-NZ 2.72Å; E25-K28 PolarHBondContact OE1-NZ 2.85Å; E25-K28 WeakPolarHBondContact OE2-CD 3.42Å; E25-K28 IonicContact OE2-NZ 2.99Å; E25-K28 PolarHBondContact OE2-NZ 3.38Å; K28-K30 VanDerWaalsContact C-N 3.33Å; K28-V31 PolarHBondContact O-N 3.27Å; K28-R32 WeakPolarHBondContact O-CG 3.45Å; K28-R32 PolarHBondContact O-N 3.13Å
29	D	74.7	Confident	74.6	Confident	64 Å²	64	104.3 Å²	104.3	34%	0.342	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-39.7	173.6	-83.2	7.4	0	0	0	111.8	E25 L27 R32 R33	E25-D29 PolarHBondContact O-N 2.81Å; L27-D29 VanDerWaalsContact C-N 3.34Å; D29-R32 IonicContact OD1-CZ 3.44Å; D29-R32 IonicContact OD1-NE 2.95Å; D29-R32 IonicContact OD1-NH2 2.72Å; D29-R32 PolarHBondContact OD1-NH2 3.47Å; D29-R33 VanDerWaalsContact O-CG 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.23Å; D29-R33 PolarHBondContact O-N 3.18Å; D29-R33 VanDerWaalsContact O-N 3.13Å
30	K	79	Confident	72.5	Confident	137 Å²	137	109.9 Å²	109.9	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-67.7	-36.6	175.5	-165.2	170.6	-175	175.1	0	112.2	A26 L27 K28 L34	A26-K30 WeakPolarHBondContact O-CB 3.41Å; A26-K30 PolarHBondContact O-N 2.86Å; L27-K30 PolarHBondContact O-N 2.87Å; K28-K30 VanDerWaalsContact C-N 3.33Å; K30-L34 HydrophobicContact CG-CD1 4.42Å; K30-L34 WeakPolarHBondContact O-CD1 3.36Å; K30-L34 VanDerWaalsContact O-CG 3.27Å; K30-L34 WeakPolarHBondContact O-CG 3.32Å; K30-L34 PolarHBondContact O-N 3.28Å
31	V	75.6	Confident	70.2	Confident	67 Å²	67	115.7 Å²	115.7	41%	0.406	58%	0.582	S	S	.	*	H	α-helix	trans	-65.4	-51	174	165.8	0	0	0	0	110.7	L27 K28 R33 L34 E35	L27-V31 WeakPolarHBondContact O-CB 3.19Å; L27-V31 VanDerWaalsContact O-CG2 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.33Å; L27-V31 PolarHBondContact O-N 3.47Å; K28-V31 PolarHBondContact O-N 3.27Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 2.78Å; V31-L34 CarbonylContact O-C 3.51Å; V31-L34 WeakPolarHBondContact O-CA 3.13Å; V31-L34 WeakPolarHBondContact O-CB 3.43Å; V31-L34 PolarHBondContact O-N 3.15Å; V31-E35 VanDerWaalsContact CG1-CD 3.41Å; V31-E35 HydrophobicContact CG1-CG 4.24Å; V31-E35 WeakPolarHBondContact CG1-OE1 3.49Å; V31-E35 VanDerWaalsContact CG1-OE2 3.28Å; V31-E35 WeakPolarHBondContact CG1-OE2 3.32Å; V31-E35 WeakPolarHBondContact O-CG 3.46Å; V31-E35 PolarHBondContact O-N 3.13Å
32	R	74.3	Confident	68	Low	119 Å²	119	118.3 Å²	118.3	45%	0.449	60%	0.603	S	S	.	*	H	α-helix	trans	-55.5	-39.5	176.5	-74.2	-174.5	-77.4	-161.4	-1.4	113.3	K28 D29 L34 E35 G36 E37	K28-R32 WeakPolarHBondContact O-CG 3.45Å; K28-R32 PolarHBondContact O-N 3.13Å; D29-R32 IonicContact OD1-CZ 3.44Å; D29-R32 IonicContact OD1-NE 2.95Å; D29-R32 IonicContact OD1-NH2 2.72Å; D29-R32 PolarHBondContact OD1-NH2 3.47Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 3.17Å; R32-E35 PolarHBondContact O-N 3.14Å; R32-G36 PolarHBondContact O-N 3.29Å; R32-E37 PolarHBondContact O-N 2.99Å
33	R	72.7	Confident	65.6	Low	198 Å²	198	123 Å²	123	75%	0.747	62%	0.616	S	S	*	*	H	α-helix	trans	-68.5	-25.9	174.5	-68.9	175.3	-153.6	-162.7	6.7	114.1	D29 V31	D29-R33 VanDerWaalsContact O-CG 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.23Å; D29-R33 PolarHBondContact O-N 3.18Å; D29-R33 VanDerWaalsContact O-N 3.13Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 2.78Å
34	L	70.9	Confident	63.2	Low	141 Å²	141	123.8 Å²	123.8	74%	0.738	63%	0.631	S	S	*	*	H	α-helix	trans	-86.4	-26.6	176	-71.7	167.7	0	0	0	112.4	K30 V31 R32 G36	K30-L34 HydrophobicContact CG-CD1 4.42Å; K30-L34 WeakPolarHBondContact O-CD1 3.36Å; K30-L34 VanDerWaalsContact O-CG 3.27Å; K30-L34 WeakPolarHBondContact O-CG 3.32Å; K30-L34 PolarHBondContact O-N 3.28Å; V31-L34 CarbonylContact O-C 3.51Å; V31-L34 WeakPolarHBondContact O-CA 3.13Å; V31-L34 WeakPolarHBondContact O-CB 3.43Å; V31-L34 PolarHBondContact O-N 3.15Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-L34 PolarHBondContact O-N 3.17Å; L34-G36 VanDerWaalsContact C-N 3.28Å
35	E	76.7	Confident	61.4	Low	134 Å²	134	126.8 Å²	126.8	63%	0.626	65%	0.652	S	S	*	*	H	α-helix	trans	-81.3	-6.3	176.4	-69.8	171.8	156.4	0	0	112.9	V31 R32	V31-E35 VanDerWaalsContact CG1-CD 3.41Å; V31-E35 HydrophobicContact CG1-CG 4.24Å; V31-E35 WeakPolarHBondContact CG1-OE1 3.49Å; V31-E35 VanDerWaalsContact CG1-OE2 3.28Å; V31-E35 WeakPolarHBondContact CG1-OE2 3.32Å; V31-E35 WeakPolarHBondContact O-CG 3.46Å; V31-E35 PolarHBondContact O-N 3.13Å; R32-E35 PolarHBondContact O-N 3.14Å
36	G	62.9	Low	58.9	Low	65 Å²	65	127 Å²	127	67%	0.67	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.9	10.2	171.4	0	0	0	0	0	115.2	R32 L34 E38	R32-G36 PolarHBondContact O-N 3.29Å; L34-G36 VanDerWaalsContact C-N 3.28Å; G36-E38 PolarHBondContact O-N 3.14Å
37	E	50.6	Low	56.4	Low	136 Å²	136	128.9 Å²	128.9	64%	0.636	68%	0.684	S	S	*	*			trans	-74.4	107.3	177.1	-65.2	-164.1	145.2	0	0	111.4	R32	R32-E37 PolarHBondContact O-N 2.99Å
38	E	48.9	Very low	54.3	Low	173 Å²	173	130.7 Å²	130.7	81%	0.808	70%	0.699	S	S	*	*			trans	-57	133.6	165.1	-95.8	-103.9	111.3	0	0	110.3	G36 Q40	G36-E38 PolarHBondContact O-N 3.14Å; E38-Q40 PolarHBondContact O-N 2.99Å
39	P	40.3	Very low	52.2	Low	113 Å²	113	134.5 Å²	134.5	73%	0.734	72%	0.716	S	S	*	*			trans	-70.9	101.3	-174	28.3	-34.5	0	0	0	111.3	K41	P39-K41 PolarHBondContact O-N 3.08Å; P39-K41 VanDerWaalsContact O-N 3.13Å
40	Q	43.1	Very low	50.2	Low	188 Å²	188	137.9 Å²	137.9	88%	0.879	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-54.2	120.1	174.7	-66.2	-169.7	12.8	0	0	110.8	E38	E38-Q40 PolarHBondContact O-N 2.99Å
41	K	39.9	Very low	48	Very low	192 Å²	192	139.3 Å²	139.3	84%	0.835	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-54.4	133.4	175.6	-76.3	-179.6	177.5	173.9	0	110.1	P39 K43	P39-K41 PolarHBondContact O-N 3.08Å; P39-K41 VanDerWaalsContact O-N 3.13Å; K41-K43 PolarHBondContact O-N 3.23Å; K41-K43 VanDerWaalsContact O-N 3.17Å
42	P	38	Very low	45.9	Very low	124 Å²	124	145.8 Å²	145.8	81%	0.805	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63	120.7	178.2	25.8	-33.6	0	0	0	110
43	K	37.4	Very low	43.6	Very low	188 Å²	188	144.4 Å²	144.4	82%	0.817	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66.1	135.2	171.5	-69.7	-177.4	179.1	178.3	0	109.2	K41 V45	K41-K43 PolarHBondContact O-N 3.23Å; K41-K43 VanDerWaalsContact O-N 3.17Å; K43-V45 PolarHBondContact O-N 3.49Å
44	P	37.2	Very low	41.9	Very low	132 Å²	132	140.7 Å²	140.7	86%	0.857	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-68.2	126.7	177	28.4	-33.7	0	0	0	110
45	V	36.6	Very low	39.9	Very low	141 Å²	141	143.1 Å²	143.1	86%	0.855	79%	0.785	S	S	*	*			trans	-110.4	137.3	170	-178.4	0	0	0	0	108.1	K43	K43-V45 PolarHBondContact O-N 3.49Å
46	A	33.4	Very low	37.4	Very low	91 Å²	91	142.8 Å²	142.8	75%	0.752	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-65.4	153.2	-162.7	0	0	0	0	0	114.5	V48	A46-V48 PolarHBondContact O-N 3.07Å
47	A	31.9	Very low	35.7	Very low	101 Å²	101	151.4 Å²	151.4	84%	0.835	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.2	123.1	179.7	0	0	0	0	0	112.4
48	V	35	Very low	34.5	Very low	142 Å²	142	149.8 Å²	149.8	86%	0.861	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-100.2	119.4	161.2	-179.9	0	0	0	0	108	A46	A46-V48 PolarHBondContact O-N 3.07Å
49	K	38.1	Very low	33.5	Very low	179 Å²	179	150.1 Å²	150.1	78%	0.778	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.1	126.7	-178.2	-55.6	175.9	-178.2	176.4	0	110.1
50	N	31.4	Very low	32.9	Very low	134 Å²	134	150.7 Å²	150.7	72%	0.717	82%	0.815	S	S	*	*				168.3	144.4	113.9	-82.6	-21.7	0	0	0	113.8
51	H	34.3	Very low	32.2	Very low	167 Å²	167	150 Å²	150	77%	0.773	82%	0.816	S	S	*	*			trans	-3.2	149.9	159.5	-42.5	-68.1	0	0	0	119.7
52	K	29.8	Very low	31.6	Very low	204 Å²	204	148 Å²	148	89%	0.887	82%	0.815	S	S	*	*			cis	-162.4	131.8	35	-162.7	172.1	-175.5	174.9	0	112.2
53	A	27.6	Very low	32.5	Very low	89 Å²	89	147.2 Å²	147.2	74%	0.736	81%	0.81	S	S	*	*			trans	-93.5	157.2	166.5	0	0	0	0	0	110.5
54	P	35.5	Very low	32	Very low	121 Å²	121	144 Å²	144	79%	0.786	81%	0.811	S	S	*	*				-150.3	-174	87.1	45.2	-27.9	0	0	0	112.8
55	K	28.6	Very low	31.6	Very low	192 Å²	192	143.1 Å²	143.1	84%	0.835	80%	0.803	S	S	*	*			cis	-149.6	128.3	-4.2	-142.7	169.8	-177	178.6	0	111
56	V	25.3	Very low	31.3	Very low	126 Å²	126	147.2 Å²	147.2	76%	0.764	80%	0.803	S	S	*	*			trans	13.6	121.7	144	-167.1	0	0	0	0	119.5
57	R	26.7	Very low	30.9	Very low	246 Å²	246	150.1 Å²	150.1	93%	0.928	81%	0.805	S	S	*	*				-168.1	128.1	109.2	-105.8	-176.4	175.6	157	0	112.8
58	S	26.3	Very low	30.6	Very low	103 Å²	103	149 Å²	149	72%	0.72	80%	0.796	S	S	*	*			trans	-101.1	151.1	163.9	45.8	0	0	0	0	109.8
59	L	27.6	Very low	30.2	Very low	179 Å²	179	150.2 Å²	150.2	94%	0.937	79%	0.792	S	S	*	*			trans	-137.2	144	152.9	-80.9	177.7	0	0	0	107.6
60	V	28.3	Very low	29.7	Very low	125 Å²	125	148.7 Å²	148.7	76%	0.758	79%	0.792	S	S	*	*			trans	-116.1	144	179.8	172.5	0	0	0	0	107.1
61	L	26.8	Very low	29.4	Very low	173 Å²	173	150.7 Å²	150.7	91%	0.906	80%	0.797	S	S	*	*			trans	-173.8	160.2	139.7	-100.7	161.7	0	0	0	110.6
62	D	28.8	Very low	28.8	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	80%	0.799	S	S	*	*			trans	-118.8	-169.7	-163.8	-126.3	-22.9	0	0	0	111
63	P	57.2	Low	28.4	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	79%	0.793	S	S	*	*			trans	-119.5	166.5	-136.2	40.7	-25.8	0	0	0	116.6
64	S	26.1	Very low	28.1	Very low	120 Å²	120	146.3 Å²	146.3	84%	0.839	79%	0.794	S	S	*	*			trans	-172.3	162.9	162.8	-85	0	0	0	0	113.2
65	V	29.4	Very low	27.5	Very low	115 Å²	115	146.8 Å²	146.8	70%	0.697	79%	0.794	S	S	*	*			cis	-169.7	152.3	-37.7	82.8	0	0	0	0	110.1
66	R	29.7	Very low	27.1	Very low	227 Å²	227	148.5 Å²	148.5	86%	0.857	80%	0.795	S	S	*	*			trans	63.6	170.4	165	-70.7	178.4	-173.8	-155.4	0.3	118.3
67	L	25.2	Very low	27.5	Very low	152 Å²	152	147.4 Å²	147.4	80%	0.796	79%	0.791	S	S	*	*				-169.7	163.9	-50.5	-144	133.4	0	0	0	109.2
68	A	25.8	Very low	27.3	Very low	78 Å²	78	141.6 Å²	141.6	65%	0.645	78%	0.783	S	S	*	*			trans	70.5	161.5	161.2	0	0	0	0	0	118.2
69	E	26.7	Very low	27.1	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	79%	0.788	S	S	*	*			cis	-163.7	133.8	-21.7	-108.5	172.9	170.8	0	0	108.9
70	L	26.4	Very low	26.8	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	79%	0.785	S	S	*	*				84.9	154.8	96.1	-88	-178.8	0	0	0	119.5
71	Q	24.9	Very low	26.6	Very low	177 Å²	177	141.3 Å²	141.3	83%	0.827	79%	0.788	S	S	*	*			trans	71.8	134.6	174.3	-55.5	-173	-16	0	0	117.7
72	V	22.1	Very low	27	Very low	133 Å²	133	138.9 Å²	138.9	81%	0.806	78%	0.782	S	S	*	*			cis	97	116.4	7.4	-174.6	0	0	0	0	117.5
73	V	22.1	Very low	27.1	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	78%	0.78	S	S	*	*			trans	171.7	120.1	146.3	148.4	0	0	0	0	106.9
74	S	21.6	Very low	26.1	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	78%	0.783	S	S	*	*				57.2	144.9	89	-131.8	0	0	0	0	114.7
75	V	21.5	Very low	26.1	Very low	132 Å²	132	140.4 Å²	140.4	80%	0.8	78%	0.781	S	S	*	*			cis	-147.6	172.3	34.6	-174.2	0	0	0	0	112
76	R	20.8	Very low	26	Very low	227 Å²	227	141.8 Å²	141.8	86%	0.857	78%	0.783	S	S	*	*			trans	-85.7	-160.4	174.1	-41	168.8	169.4	170	-6.7	112.3
77	P	34.1	Very low	25.9	Very low	104 Å²	104	138.8 Å²	138.8	68%	0.675	78%	0.776	S	S	*	*			cis	-139.8	-159.4	-13.1	34.3	-9.3	0	0	0	115.1
78	T	22.3	Very low	26.1	Very low	124 Å²	124	137 Å²	137	76%	0.761	77%	0.772	S	S	*	*			trans	83.7	123.1	170.1	67.4	0	0	0	0	115.9
79	C	21.7	Very low	26.3	Very low	121 Å²	121	140.1 Å²	140.1	82%	0.818	77%	0.773	S	S	*	*			cis	91	106.6	37.3	-68.2	0	0	0	0	114.7
80	S	22.5	Very low	26.2	Very low	125 Å²	125	140.2 Å²	140.2	87%	0.874	78%	0.778	S	S	*	*				-178.7	144.9	127.7	-76.8	0	0	0	0	113.1
81	D	23.4	Very low	26.4	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	78%	0.777	S	S	*	*			trans	-69.3	167.5	162.9	-74.4	-66.5	0	0	0	111.1
82	P	34.2	Very low	26.7	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	78%	0.775	S	S	*	*			cis	-154.3	-175.4	48.3	43.9	-20.8	0	0	0	120.2
83	V	31.3	Very low	27.1	Very low	123 Å²	123	136.7 Å²	136.7	75%	0.745	78%	0.777	S	S	*	*			trans	-76.9	170.5	172.7	-145.5	0	0	0	0	112.3
84	P	36.1	Very low	27.4	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	78%	0.777	S	S	*	*				-139.6	163.3	119.4	38.9	-28.5	0	0	0	116.4
85	E	27.1	Very low	28.4	Very low	169 Å²	169	138.6 Å²	138.6	79%	0.79	77%	0.774	S	S	*	*			trans	-84.4	176	167.9	-59.7	175.5	127.4	0	0	110.7
86	I	27.4	Very low	28.6	Very low	143 Å²	143	141 Å²	141	73%	0.733	78%	0.781	S	S	*	*				176.7	130	81.9	-80	-179.8	0	0	0	105.4
87	F	26.5	Very low	28.8	Very low	164 Å²	164	133 Å²	133	72%	0.719	77%	0.77	S	S	*	*				53.3	147.1	96.5	-92.9	-84.6	0	0	0	115.7	H89	F87-H89 AromaticContact CE1-NE2 3.78Å
88	T	29.8	Very low	28.5	Very low	116 Å²	116	139.8 Å²	139.8	71%	0.712	78%	0.782	S	S	*	*			cis	-152.9	148.2	30.3	48.4	0	0	0	0	116.7
89	H	30.6	Very low	28.8	Very low	143 Å²	143	143 Å²	143	66%	0.662	79%	0.788	S	S	*	*			trans	32.1	139.4	137.5	-67.9	-95.6	0	0	0	126.5	F87	F87-H89 AromaticContact CE1-NE2 3.78Å
90	L	24.3	Very low	28.9	Very low	167 Å²	167	145 Å²	145	87%	0.874	79%	0.791	S	S	*	*				-157.4	179.3	107.9	-133.2	75.3	0	0	0	112.7
91	S	30.8	Very low	29.1	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	79%	0.788	S	S	*	*			trans	-160.4	174.7	-170.9	-64.3	0	0	0	0	111.3
92	A	31.6	Very low	29.1	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	79%	0.787	S	S	*	*			cis	-138.8	-133.3	12.5	0	0	0	0	0	111.7
93	Q	29.7	Very low	28.6	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	79%	0.787	S	S	*	*			cis	-148.1	-119.5	6.7	-154	-165.5	104.7	0	0	114.3
94	Q	28.9	Very low	28.1	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	79%	0.786	S	S	*	*			trans	-159.7	179.3	-160.4	-84.1	-161.7	-0.1	0	0	112.9
95	P	42.1	Very low	27.5	Very low	107 Å²	107	146 Å²	146	70%	0.695	79%	0.792	S	S	*	*			cis	-137.7	165.7	-40.1	37	-21.1	0	0	0	115.2
96	I	26.3	Very low	27.2	Very low	182 Å²	182	143.1 Å²	143.1	93%	0.933	79%	0.786	S	S	*	*			trans	-161.3	157.5	153	-119.2	165.2	0	0	0	108.7
97	G	23.9	Very low	27	Very low	61 Å²	61	144.8 Å²	144.8	63%	0.629	80%	0.795	S	S	*	*			cis	-166	-125.6	2.9	0	0	0	0	0	111.2
98	R	28.8	Very low	26.8	Very low	246 Å²	246	144.1 Å²	144.1	93%	0.928	79%	0.794	S	S	*	*			trans	-149.8	151.1	172.4	-76.6	-178.6	174.7	167.9	-1.9	111.4
99	Q	27.7	Very low	26.5	Very low	191 Å²	191	145.9 Å²	145.9	89%	0.893	79%	0.794	S	S	*	*				-167.2	142.9	126.1	-108.4	171	34.9	0	0	112.8
100	N	24.8	Very low	26.2	Very low	163 Å²	163	149 Å²	149	87%	0.872	81%	0.806	S	S	*	*			trans	-103.8	150.5	159.7	-70.5	-15.6	0	0	0	107.3
101	S	26.6	Very low	26.2	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	80%	0.797	S	S	*	*			trans	-132.4	123.3	158.3	56.4	0	0	0	0	110.5
102	C	22.1	Very low	25.8	Very low	117 Å²	117	147.7 Å²	147.7	79%	0.791	80%	0.796	S	S	*	*			trans	-111.8	128.9	165.5	-176.2	0	0	0	0	106.1
103	C	23.2	Very low	25.4	Very low	120 Å²	120	150.4 Å²	150.4	81%	0.811	80%	0.796	S	S	*	*			trans	-111.9	116.5	172.6	-67	0	0	0	0	109
104	V	21.8	Very low	25.1	Very low	117 Å²	117	148.4 Å²	148.4	71%	0.709	80%	0.796	S	S	*	*			trans	-104.8	129.9	163.5	174	0	0	0	0	105.7	V106	V104-V106 HydrophobicContact CG1-CG2 4.11Å
105	E	23.1	Very low	24.9	Very low	192 Å²	192	144.6 Å²	144.6	90%	0.897	79%	0.793	S	S	*	*			trans	-116.9	135.4	164.4	-72.5	-170.4	140.1	0	0	109.3
106	V	20.8	Very low	24.7	Very low	109 Å²	109	145.8 Å²	145.8	66%	0.661	80%	0.801	S	S	*	*			trans	-123.3	126.7	175.7	173.2	0	0	0	0	106.5	V104	V104-V106 HydrophobicContact CG1-CG2 4.11Å
107	L	23.6	Very low	24.6	Very low	178 Å²	178	140.7 Å²	140.7	93%	0.932	79%	0.793	S	S	*	*			trans	-133.5	138.2	163.9	-72.7	176.5	0	0	0	108.5
108	Q	23.4	Very low	24.7	Very low	150 Å²	150	143.5 Å²	143.5	70%	0.701	80%	0.803	S	S	*	*			trans	-99.8	154.1	-176.2	-96.9	168.3	-98.1	0	0	112
109	E	23.3	Very low	24.8	Very low	153 Å²	153	137.9 Å²	137.9	72%	0.715	80%	0.798	S	S	*	*			trans	56.4	118.5	144.9	-69.6	161.2	-145.8	0	0	120.3
110	K	23.4	Very low	24.7	Very low	209 Å²	209	136.5 Å²	136.5	91%	0.909	79%	0.792	S	S	*	*				-151.5	165.9	97.2	-106.9	171.4	-176.4	-178.7	0	112
111	T	23.8	Very low	24.7	Very low	113 Å²	113	135.9 Å²	135.9	69%	0.693	79%	0.794	S	S	*	*			trans	-95.9	157.7	-171.4	51.7	0	0	0	0	112.1
112	D	22.2	Very low	24.5	Very low	133 Å²	133	138.6 Å²	138.6	71%	0.711	79%	0.794	S	S	*	*				174.8	130.2	108.9	-85.4	-11.6	0	0	0	114.6
113	L	24.2	Very low	24.6	Very low	153 Å²	153	138 Å²	138	80%	0.801	80%	0.798	S	S	*	*			trans	66	135.1	135.9	-65.5	173.4	0	0	0	124.5
114	V	24.2	Very low	24.6	Very low	139 Å²	139	141 Å²	141	84%	0.842	80%	0.799	S	S	*	*			trans	83.8	122.5	146.8	172.3	0	0	0	0	121
115	A	24.6	Very low	24.6	Very low	86 Å²	86	141 Å²	141	71%	0.711	80%	0.799	S	S	*	*			trans	-131.4	177.5	155.3	0	0	0	0	0	106.2
116	P	37.6	Very low	24.6	Very low	133 Å²	133	138.1 Å²	138.1	86%	0.864	80%	0.795	S	S	*	*			cis	-131.7	-164.3	7.7	43.2	-25.5	0	0	0	113.5
117	G	24.3	Very low	24.9	Very low	75 Å²	75	140.3 Å²	140.3	77%	0.773	80%	0.802	S	S	*	*			trans	178.5	89.5	169.8	0	0	0	0	0	115.3
118	S	25.1	Very low	24.9	Very low	119 Å²	119	140.4 Å²	140.4	83%	0.832	80%	0.798	S	S	*	*			trans	-85.7	160.6	159.2	-55.6	0	0	0	0	109.6
119	P	31.7	Very low	24.9	Very low	128 Å²	128	138.8 Å²	138.8	83%	0.831	80%	0.798	S	S	*	*				-141.3	170.8	98.2	38.2	-25.7	0	0	0	114.8
120	Q	25.3	Very low	25	Very low	162 Å²	162	137.3 Å²	137.3	76%	0.757	80%	0.8	S	S	*	*			trans	-86.6	162.7	172.9	-62.9	156.8	-94.6	0	0	111.2
121	V	24.5	Very low	25.1	Very low	151 Å²	151	135.4 Å²	135.4	92%	0.915	79%	0.794	S	S	*	*			trans	-143.8	141.6	145.6	-98.9	0	0	0	0	108.8
122	E	23.1	Very low	25.2	Very low	173 Å²	173	136.7 Å²	136.7	81%	0.808	80%	0.795	S	S	*	*			trans	-104.4	156.1	-174.6	-61.3	171.2	141.2	0	0	110.6
123	A	24.1	Very low	25.2	Very low	106 Å²	106	135 Å²	135	88%	0.876	79%	0.794	S	S	*	*			trans	-156.2	117	165.4	0	0	0	0	0	109.3
124	E	22.6	Very low	25.2	Very low	181 Å²	181	134.2 Å²	134.2	85%	0.846	80%	0.795	S	S	*	*			trans	-90.4	145.2	-176.5	-85.2	-152	118.2	0	0	114.1
125	V	22.5	Very low	25.1	Very low	117 Å²	117	135.5 Å²	135.5	71%	0.709	79%	0.792	S	S	*	*			trans	54.3	127.9	132.1	-177.7	0	0	0	0	120.4
126	V	23.2	Very low	25.7	Very low	133 Å²	133	137.1 Å²	137.1	81%	0.806	80%	0.795	S	S	*	*				-174.6	150.5	118.2	150.6	0	0	0	0	108.6
127	L	26.5	Very low	25.2	Very low	154 Å²	154	137.1 Å²	137.1	81%	0.806	78%	0.784	S	S	*	*			trans	-122.2	148.9	-179.5	-74.5	163.6	0	0	0	111.1
128	E	23	Very low	25.3	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	78%	0.782	S	S	*	*			trans	-177.3	121.3	148.5	-102	163.4	-171.1	0	0	106.2
129	T	24.4	Very low	25.4	Very low	115 Å²	115	139.4 Å²	139.4	71%	0.706	77%	0.774	S	S	*	*			cis	91.1	158.1	44.4	66	0	0	0	0	115.5
130	T	23.9	Very low	25.1	Very low	123 Å²	123	141.3 Å²	141.3	76%	0.755	78%	0.777	S	S	*	*			trans	78.1	124.3	-169.4	71.8	0	0	0	0	114.9
131	Q	27.3	Very low	25.1	Very low	168 Å²	168	136.4 Å²	136.4	79%	0.785	77%	0.77	S	S	*	*			cis	95.2	136.7	44.8	-81.1	-170.7	65.4	0	0	112.4
132	I	24.1	Very low	25.2	Very low	141 Å²	141	137.4 Å²	137.4	72%	0.723	77%	0.77	S	S	*	*			cis	-158.4	-164.6	-6.5	-151.1	169.5	0	0	0	110.3
133	S	22.5	Very low	25.3	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	76%	0.762	S	S	*	*			trans	72.3	151.9	164.7	-72	0	0	0	0	120.1
134	T	23.8	Very low	25.3	Very low	136 Å²	136	135.7 Å²	135.7	83%	0.834	76%	0.762	S	S	*	*			cis	-156.8	173.2	-28.7	14.7	0	0	0	0	109.7
135	E	23.6	Very low	25.4	Very low	167 Å²	167	130.8 Å²	130.8	78%	0.78	76%	0.76	S	S	*	*			trans	-83.1	176.6	171	-128.1	-179.8	-147.8	0	0	112
136	P	37.3	Very low	25.6	Very low	119 Å²	119	133.2 Å²	133.2	77%	0.773	77%	0.769	S	S	*	*				-146	175.8	55.4	40	-18.1	0	0	0	119.3
137	E	26.2	Very low	26.3	Very low	133 Å²	133	132.7 Å²	132.7	62%	0.621	77%	0.768	S	S	*	*			trans	-15.2	162.7	153.2	-53.4	-155.6	109.9	0	0	119.5	K139	E137-K139 WeakPolarHBondContact OE1-CE 3.36Å; E137-K139 IonicContact OE1-NZ 2.55Å; E137-K139 PolarHBondContact OE1-NZ 2.97Å; E137-K139 IonicContact OE2-NZ 3.32Å; E137-K139 PolarHBondContact OE2-NZ 3Å
138	A	26.1	Very low	26.2	Very low	89 Å²	89	128.9 Å²	128.9	74%	0.736	77%	0.766	S	S	*	*				-157.8	-141.8	52.9	0	0	0	0	0	117.3
139	K	27.3	Very low	26.3	Very low	153 Å²	153	124 Å²	124	67%	0.665	76%	0.764	S	S	*	*			trans	-145.1	176.5	-152.2	-46.6	106.3	-175.9	-180	0	111.6	E137	E137-K139 WeakPolarHBondContact OE1-CE 3.36Å; E137-K139 IonicContact OE1-NZ 2.55Å; E137-K139 PolarHBondContact OE1-NZ 2.97Å; E137-K139 IonicContact OE2-NZ 3.32Å; E137-K139 PolarHBondContact OE2-NZ 3Å
140	D	25.9	Very low	26.4	Very low	168 Å²	168	126.3 Å²	126.3	90%	0.898	77%	0.772	S	S	*	*				-168	156.2	-54.7	-169.9	10.2	0	0	0	107.7
141	G	25.7	Very low	26.8	Very low	59 Å²	59	126.7 Å²	126.7	61%	0.608	78%	0.776	S	S	*	*			trans	119.5	168.5	170.4	0	0	0	0	0	118
142	L	26.5	Very low	26.7	Very low	172 Å²	172	124.7 Å²	124.7	90%	0.901	78%	0.776	S	S	*	*			cis	-161.4	171.5	-16.4	-156.1	64.8	0	0	0	111.2
143	A	24.9	Very low	27.1	Very low	79 Å²	79	126.1 Å²	126.1	65%	0.653	78%	0.779	S	S	*	*			trans	72.2	162.2	157.6	0	0	0	0	0	119.7
144	N	25	Very low	28.1	Very low	164 Å²	164	125.8 Å²	125.8	88%	0.877	78%	0.775	S	S	*	*			cis	-167.3	162.2	-48.3	-98.3	-14.8	0	0	0	108.3
145	G	24.2	Very low	28.2	Very low	78 Å²	78	128.2 Å²	128.2	80%	0.804	78%	0.777	S	S	*	*			trans	149.4	130.4	165.6	0	0	0	0	0	117.4
146	L	25.9	Very low	28.6	Very low	169 Å²	169	123.1 Å²	123.1	89%	0.885	77%	0.769	S	S	*	*			trans	-130.2	175.9	167.4	-87.7	168.4	0	0	0	107.3
147	P	38	Very low	28.2	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	78%	0.778	S	S	*	*			cis	-114.1	-161.4	4.4	45.5	-33.6	0	0	0	111.6
148	G	24.8	Very low	28.4	Very low	74 Å²	74	124 Å²	124	76%	0.763	78%	0.781	S	S	*	*			cis	114.2	122.5	-9.2	0	0	0	0	0	115.4
149	G	25.8	Very low	28.3	Very low	78 Å²	78	126.6 Å²	126.6	80%	0.804	79%	0.787	S	S	*	*			trans	161.8	139.8	173.5	0	0	0	0	0	113.1
150	D	24.9	Very low	28.3	Very low	164 Å²	164	128.2 Å²	128.2	88%	0.877	80%	0.799	S	S	*	*			trans	-105.7	158.3	172.4	-56.5	-74	0	0	0	109.4
151	P	33.1	Very low	28.3	Very low	131 Å²	131	123.7 Å²	123.7	85%	0.851	79%	0.793	S	S	*	*				-152.9	-153.4	81.9	43.3	-21.9	0	0	0	116
152	V	25	Very low	28.4	Very low	127 Å²	127	126.2 Å²	126.2	77%	0.77	80%	0.801	S	S	*	*			trans	-91.1	168.5	-154.1	170.4	0	0	0	0	116
153	Q	31.7	Very low	28.5	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	80%	0.796	S	S	*	*			trans	-33.1	177.9	161	-59.5	178.8	-99.3	0	0	117.1
154	P	43.8	Very low	28.6	Very low	91 Å²	91	128.8 Å²	128.8	59%	0.591	80%	0.804	S	S	*	*			cis	-152.9	-164.2	27.3	45.9	-22.8	0	0	0	119.7
155	E	25.6	Very low	28.7	Very low	187 Å²	187	126.5 Å²	126.5	87%	0.874	80%	0.796	S	S	*	*			trans	64.9	162.9	153	-80.3	140.3	-120.5	0	0	121.1
156	G	33.8	Very low	28.8	Very low	60 Å²	60	131.7 Å²	131.7	62%	0.619	80%	0.8	S	S	*	*			cis	171.4	163.2	-6.8	0	0	0	0	0	113.6
157	E	27.6	Very low	28.8	Very low	205 Å²	205	132.4 Å²	132.4	96%	0.958	80%	0.799	S	S	*	*			trans	62.7	156.9	163.6	-53.1	-167.8	145.4	0	0	120.5
158	G	29.7	Very low	28.9	Very low	66 Å²	66	131.9 Å²	131.9	68%	0.68	80%	0.795	S	S	*	*			cis	148.2	111.9	-18	0	0	0	0	0	116.9
159	T	25.7	Very low	29	Very low	142 Å²	142	137 Å²	137	87%	0.871	80%	0.799	S	S	*	*			trans	179.8	148.8	158.9	13.6	0	0	0	0	108
160	M	26.3	Very low	29.1	Very low	187 Å²	187	139.3 Å²	139.3	92%	0.921	80%	0.803	S	S	*	*			cis	104.2	138.5	4	-68.6	-61.4	-154.1	0	0	118.9
161	G	26.7	Very low	29.3	Very low	74 Å²	74	135.2 Å²	135.2	76%	0.763	80%	0.799	S	S	*	*			trans	95.5	130.1	175.7	0	0	0	0	0	115.3
162	S	27.8	Very low	29.1	Very low	111 Å²	111	135 Å²	135	78%	0.776	80%	0.801	S	S	*	*			cis	-161.6	172.9	-13	52.7	0	0	0	0	111.8
163	E	29.1	Very low	29.3	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.794	81%	0.808	S	S	*	*			trans	-39.5	172.1	170.4	-66	141.1	132.8	0	0	118.1
164	T	26.4	Very low	29.2	Very low	135 Å²	135	133.6 Å²	133.6	83%	0.828	81%	0.805	S	S	*	*			cis	-154.3	-170.4	11.4	-10.9	0	0	0	0	112.4
165	T	26.4	Very low	29.3	Very low	116 Å²	116	134.8 Å²	134.8	71%	0.712	81%	0.813	S	S	*	*			trans	-93.8	152.1	178.2	46.3	0	0	0	0	115.1
166	E	25.9	Very low	29.5	Very low	188 Å²	188	132.8 Å²	132.8	88%	0.879	81%	0.814	S	S	*	*				172.4	165.2	126.8	-94.7	168.9	-162.3	0	0	114
167	E	25.9	Very low	29.4	Very low	184 Å²	184	133.7 Å²	133.7	86%	0.86	82%	0.823	S	S	*	*			trans	-116.3	177.4	172.7	-66.4	-170.4	140.7	0	0	108.3
168	P	40.4	Very low	30	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	82%	0.819	S	S	*	*			cis	-147	-177.1	16	45.1	-23.9	0	0	0	118.9
169	E	28.1	Very low	30.2	Very low	180 Å²	180	137.5 Å²	137.5	84%	0.841	83%	0.828	S	S	*	*			trans	53.8	139.1	145.2	-77.1	-178	-165.2	0	0	126.6
170	S	27.6	Very low	30.9	Very low	128 Å²	128	135.3 Å²	135.3	90%	0.895	82%	0.818	S	S	*	*			trans	69.8	151.3	159.5	76.2	0	0	0	0	120
171	G	28.3	Very low	31.6	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	81%	0.813	S	S	*	*			cis	151.6	88.7	-20.4	0	0	0	0	0	117.2
172	S	29.1	Very low	32.7	Very low	126 Å²	126	133.7 Å²	133.7	88%	0.881	81%	0.806	S	S	*	*			trans	-165.6	166.1	162.5	60.6	0	0	0	0	114.7
173	E	29.4	Very low	33.8	Very low	197 Å²	197	132 Å²	132	92%	0.921	80%	0.799	S	S	*	*			trans	-69.9	175.2	-159.1	-53.6	179.7	135.8	0	0	118.3
174	G	28.8	Very low	34.9	Very low	72 Å²	72	126.4 Å²	126.4	74%	0.742	78%	0.782	S	S	*	*			trans	-96.9	-143.4	-173.2	0	0	0	0	0	115.5
175	P	46.3	Very low	36.2	Very low	116 Å²	116	123 Å²	123	75%	0.753	76%	0.763	S	S	*	*			cis	-139.4	-171.5	12.7	40.8	-20.2	0	0	0	116.9
176	T	30.5	Very low	37.6	Very low	145 Å²	145	119.4 Å²	119.4	89%	0.89	75%	0.746	S	S	*	*			trans	74.7	133.4	166.9	68.1	0	0	0	0	119.7
177	G	30.4	Very low	39.2	Very low	78 Å²	78	116.3 Å²	116.3	80%	0.804	73%	0.731	S	S	*	*			trans	156	118.4	174.3	0	0	0	0	0	113.4
178	L	40.8	Very low	40.9	Very low	168 Å²	168	116.9 Å²	116.9	88%	0.88	73%	0.726	S	S	*	*			trans	-67	132.6	-177.2	-71.1	133.9	0	0	0	113.6
179	Q	34	Very low	41.9	Very low	184 Å²	184	117.8 Å²	117.8	86%	0.86	72%	0.72	S	S	*	*			trans	-172.7	141.6	144.7	-108.3	151.1	98.3	0	0	116
180	S	40.2	Very low	43.8	Very low	95 Å²	95	115.2 Å²	115.2	66%	0.664	71%	0.706	S	S	*	*			trans	44.4	144.5	140	-58	0	0	0	0	123.2	T182	S180-T182 PolarHBondContact O-N 3.21Å
181	P	42.3	Very low	45.6	Very low	128 Å²	128	115.7 Å²	115.7	83%	0.831	69%	0.694	S	S	*	*			trans	-67.4	130.1	-179.2	28.4	-35.3	0	0	0	113
182	T	47.9	Very low	47.3	Very low	99 Å²	99	117.7 Å²	117.7	61%	0.607	68%	0.683	S	S	*	*			trans	-87.4	162.2	-165.5	60.9	0	0	0	0	115	S180 A184 S185	S180-T182 PolarHBondContact O-N 3.21Å; T182-A184 PolarHBondContact O-N 3.36Å; T182-S185 WeakPolarHBondContact O-CB 3.45Å; T182-S185 PolarHBondContact O-N 2.98Å
183	A	52.2	Low	48.9	Very low	76 Å²	76	116.5 Å²	116.5	63%	0.628	66%	0.664	S	S	*	*	H	α-helix	trans	-54.9	-25.9	-178.7	0	0	0	0	0	114.5	S185 A186 E187	A183-S185 PolarHBondContact O-N 3.19Å; A183-S185 VanDerWaalsContact O-N 3.16Å; A183-A186 WeakPolarHBondContact O-CA 3.4Å; A183-A186 WeakPolarHBondContact O-CB 3.36Å; A183-A186 PolarHBondContact O-N 3.45Å; A183-E187 WeakPolarHBondContact O-CG 3.48Å; A183-E187 PolarHBondContact O-N 2.87Å
184	A	52.3	Low	50.3	Low	52 Å²	52	116.3 Å²	116.3	43%	0.43	65%	0.654	S	S	.	*	H	α-helix	trans	-56.2	-28.9	174.6	0	0	0	0	0	113.3	T182 R188	T182-A184 PolarHBondContact O-N 3.36Å; A184-R188 WeakPolarHBondContact O-CB 3.23Å; A184-R188 VanDerWaalsContact O-CG 3.27Å; A184-R188 WeakPolarHBondContact O-CG 3.43Å; A184-R188 PolarHBondContact O-N 3.02Å
185	S	53	Low	51.5	Low	63 Å²	63	116.3 Å²	116.3	44%	0.441	64%	0.642	S	S	.	*	H	α-helix	trans	-65.3	-48	171.8	-177.6	0	0	0	0	111.5	T182 A183 E187 R188 Q189	T182-S185 WeakPolarHBondContact O-CB 3.45Å; T182-S185 PolarHBondContact O-N 2.98Å; A183-S185 PolarHBondContact O-N 3.19Å; A183-S185 VanDerWaalsContact O-N 3.16Å; S185-E187 VanDerWaalsContact C-N 3.34Å; S185-E187 PolarHBondContact O-N 2.95Å; S185-R188 PolarHBondContact O-N 3.23Å; S185-Q189 WeakPolarHBondContact O-CG 3.41Å; S185-Q189 PolarHBondContact O-N 3.46Å
186	A	57.1	Low	52	Low	42 Å²	42	118.2 Å²	118.2	35%	0.347	63%	0.634	S	S	.	*	H	α-helix	trans	-68.2	-32.3	178.8	0	0	0	0	0	112.3	A183 K190	A183-A186 WeakPolarHBondContact O-CA 3.4Å; A183-A186 WeakPolarHBondContact O-CB 3.36Å; A183-A186 PolarHBondContact O-N 3.45Å; A186-K190 WeakPolarHBondContact O-CB 3.45Å; A186-K190 WeakPolarHBondContact O-CD 3.44Å; A186-K190 WeakPolarHBondContact O-CG 3.21Å; A186-K190 PolarHBondContact O-N 3.05Å
187	E	58.4	Low	53.1	Low	122 Å²	122	118.3 Å²	118.3	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-70.5	-47.4	174.2	-64.4	-122	108.1	0	0	111.8	A183 S185 Q189 K190 E191	A183-E187 WeakPolarHBondContact O-CG 3.48Å; A183-E187 PolarHBondContact O-N 2.87Å; S185-E187 VanDerWaalsContact C-N 3.34Å; S185-E187 PolarHBondContact O-N 2.95Å; E187-Q189 VanDerWaalsContact C-N 3.25Å; E187-Q189 PolarHBondContact O-N 2.87Å; E187-K190 CarbonylContact O-C 3.57Å; E187-K190 PolarHBondContact O-N 3.49Å; E187-K190 VanDerWaalsContact O-N 3.07Å; E187-E191 WeakPolarHBondContact O-CB 3.33Å; E187-E191 PolarHBondContact O-N 3.2Å
188	R	61	Low	54.2	Low	197 Å²	197	124.1 Å²	124.1	74%	0.743	62%	0.616	S	S	*	*	H	α-helix	trans	-57.5	-38.5	172.6	-74.6	175.6	-177.8	-171.8	1.4	111.8	A184 S185 Q192	A184-R188 WeakPolarHBondContact O-CB 3.23Å; A184-R188 VanDerWaalsContact O-CG 3.27Å; A184-R188 WeakPolarHBondContact O-CG 3.43Å; A184-R188 PolarHBondContact O-N 3.02Å; S185-R188 PolarHBondContact O-N 3.23Å; R188-Q192 WeakPolarHBondContact O-CB 3.5Å; R188-Q192 PolarHBondContact O-N 3.3Å
189	Q	62.7	Low	54.8	Low	128 Å²	128	121 Å²	121	60%	0.598	60%	0.597	S	S	*	*	H	α-helix	trans	-65.9	-45.6	172.4	-73.4	179.2	4.7	0	0	112.5	S185 E187 E191 Q192 E193	S185-Q189 WeakPolarHBondContact O-CG 3.41Å; S185-Q189 PolarHBondContact O-N 3.46Å; E187-Q189 VanDerWaalsContact C-N 3.25Å; E187-Q189 PolarHBondContact O-N 2.87Å; Q189-E191 VanDerWaalsContact C-N 3.3Å; Q189-E191 PolarHBondContact O-N 3.22Å; Q189-Q192 PolarHBondContact O-N 3.06Å; Q189-E193 WeakPolarHBondContact O-CB 3.25Å; Q189-E193 PolarHBondContact O-N 3.33Å
190	K	68.3	Low	55.6	Low	126 Å²	126	117.3 Å²	117.3	55%	0.548	58%	0.582	S	S	.	*	H	α-helix	trans	-62.1	-35.3	175.7	-72.8	162.4	-171.4	170.5	0	112.5	A186 E187 R194	A186-K190 WeakPolarHBondContact O-CB 3.45Å; A186-K190 WeakPolarHBondContact O-CD 3.44Å; A186-K190 WeakPolarHBondContact O-CG 3.21Å; A186-K190 PolarHBondContact O-N 3.05Å; E187-K190 CarbonylContact O-C 3.57Å; E187-K190 PolarHBondContact O-N 3.49Å; E187-K190 VanDerWaalsContact O-N 3.07Å; K190-R194 WeakPolarHBondContact O-CG 3.32Å; K190-R194 PolarHBondContact O-N 3.1Å
191	E	64.5	Low	56	Low	138 Å²	138	121.9 Å²	121.9	65%	0.645	59%	0.587	S	S	*	*	H	α-helix	trans	-76.1	-41.5	177.2	-177.3	155.9	-132.3	0	0	112	E187 Q189 E193 R194 C195	E187-E191 WeakPolarHBondContact O-CB 3.33Å; E187-E191 PolarHBondContact O-N 3.2Å; Q189-E191 VanDerWaalsContact C-N 3.3Å; Q189-E191 PolarHBondContact O-N 3.22Å; E191-E193 VanDerWaalsContact C-N 3.26Å; E191-E193 PolarHBondContact O-N 3.43Å; E191-R194 CarbonylContact O-C 3.22Å; E191-R194 WeakPolarHBondContact O-CB 3.34Å; E191-R194 PolarHBondContact O-N 3.13Å; E191-R194 VanDerWaalsContact O-N 3.14Å; E191-C195 WeakPolarHBondContact O-CB 3.42Å; E191-C195 PolarHBondContact O-N 2.85Å
192	Q	64	Low	56.4	Low	119 Å²	119	121.9 Å²	121.9	56%	0.556	57%	0.574	S	S	*	*	H	α-helix	trans	-62.8	-34.4	172	-167.3	175.4	71.3	0	0	111.4	R188 Q189 C195 R196	R188-Q192 WeakPolarHBondContact O-CB 3.5Å; R188-Q192 PolarHBondContact O-N 3.3Å; Q189-Q192 PolarHBondContact O-N 3.06Å; Q192-C195 PolarHBondContact O-N 2.79Å; Q192-R196 WeakPolarHBondContact O-CB 3.34Å; Q192-R196 WeakPolarHBondContact O-CG 3.31Å; Q192-R196 PolarHBondContact O-N 3.29Å
193	E	61.9	Low	56.7	Low	102 Å²	102	124.2 Å²	124.2	48%	0.477	58%	0.577	S	S	.	*	H	α-helix	trans	-69.2	-40.7	170.7	-173.6	67.9	-170.1	0	0	112	Q189 E191 C195 R196 R197	Q189-E193 WeakPolarHBondContact O-CB 3.25Å; Q189-E193 PolarHBondContact O-N 3.33Å; E191-E193 VanDerWaalsContact C-N 3.26Å; E191-E193 PolarHBondContact O-N 3.43Å; E193-C195 VanDerWaalsContact C-N 3.32Å; E193-C195 PolarHBondContact O-N 3.48Å; E193-R196 PolarHBondContact O-N 3.1Å; E193-R197 WeakPolarHBondContact O-CB 3.29Å; E193-R197 VanDerWaalsContact O-CG 3.26Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 3.07Å
194	R	60.1	Low	57	Low	192 Å²	192	125.4 Å²	125.4	73%	0.725	57%	0.569	S	S	*	*	H	α-helix	trans	-61.8	-39.1	170	-81.7	-179.6	175	-173.2	1	111.8	K190 E191 R197 R198	K190-R194 WeakPolarHBondContact O-CG 3.32Å; K190-R194 PolarHBondContact O-N 3.1Å; E191-R194 CarbonylContact O-C 3.22Å; E191-R194 WeakPolarHBondContact O-CB 3.34Å; E191-R194 PolarHBondContact O-N 3.13Å; E191-R194 VanDerWaalsContact O-N 3.14Å; R194-R197 PolarHBondContact O-N 2.77Å; R194-R198 PolarHBondContact O-N 3.34Å
195	C	53.9	Low	57.5	Low	72 Å²	72	133 Å²	133	49%	0.486	59%	0.586	S	S	.	*	H	α-helix	trans	-67.5	-48.6	177.7	-165	0	0	0	0	110.8	E191 Q192 E193 R197 R198 E199	E191-C195 WeakPolarHBondContact O-CB 3.42Å; E191-C195 PolarHBondContact O-N 2.85Å; Q192-C195 PolarHBondContact O-N 2.79Å; E193-C195 VanDerWaalsContact C-N 3.32Å; E193-C195 PolarHBondContact O-N 3.48Å; C195-R197 VanDerWaalsContact C-N 3.28Å; C195-R197 PolarHBondContact O-N 2.96Å; C195-R198 WeakPolarHBondContact O-CA 3.37Å; C195-R198 WeakPolarHBondContact O-CB 3.39Å; C195-R198 PolarHBondContact O-N 2.88Å; C195-E199 PolarHBondContact O-N 3.24Å
196	R	56.9	Low	58	Low	157 Å²	157	133.3 Å²	133.3	59%	0.592	58%	0.58	S	S	*	*	H	α-helix	trans	-56.2	-39.3	170.6	-80.9	179	167.4	158.4	-1.2	112.6	Q192 E193 E199 L200	Q192-R196 WeakPolarHBondContact O-CB 3.34Å; Q192-R196 WeakPolarHBondContact O-CG 3.31Å; Q192-R196 PolarHBondContact O-N 3.29Å; E193-R196 PolarHBondContact O-N 3.1Å; R196-E199 PolarHBondContact O-N 3.16Å; R196-L200 WeakPolarHBondContact O-CB 3.39Å; R196-L200 VanDerWaalsContact O-CG 3.3Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 3.49Å
197	R	53.6	Low	58.3	Low	147 Å²	147	137.1 Å²	137.1	56%	0.555	59%	0.588	S	S	*	*	H	α-helix	trans	-69.3	-36.1	174.7	-71.2	176.3	78.4	176.5	3.6	112.5	E193 R194 C195 L200 Y201	E193-R197 WeakPolarHBondContact O-CB 3.29Å; E193-R197 VanDerWaalsContact O-CG 3.26Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 3.07Å; R194-R197 PolarHBondContact O-N 2.77Å; C195-R197 VanDerWaalsContact C-N 3.28Å; C195-R197 PolarHBondContact O-N 2.96Å; R197-L200 PolarHBondContact O-N 3.37Å; R197-Y201 WeakPolarHBondContact O-CD2 3.35Å; R197-Y201 PolarHBondContact O-N 3.04Å
198	R	53.8	Low	58.7	Low	199 Å²	199	131.3 Å²	131.3	75%	0.751	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-39	170.7	-80.8	-178	169.2	178.7	-2.8	112	R194 C195 Y201	R194-R198 PolarHBondContact O-N 3.34Å; C195-R198 WeakPolarHBondContact O-CA 3.37Å; C195-R198 WeakPolarHBondContact O-CB 3.39Å; C195-R198 PolarHBondContact O-N 2.88Å; R198-Y201 PolarHBondContact O-N 3.37Å
199	E	52.6	Low	58.7	Low	102 Å²	102	129.5 Å²	129.5	48%	0.477	56%	0.561	S	S	.	*	H	α-helix	trans	-64.8	-45.7	172.3	-70.3	-56.9	99.1	0	0	112.2	C195 R196 Y201 K202	C195-E199 PolarHBondContact O-N 3.24Å; R196-E199 PolarHBondContact O-N 3.16Å; E199-Y201 PolarHBondContact O-N 3.11Å; E199-K202 WeakPolarHBondContact O-CA 3.5Å; E199-K202 VanDerWaalsContact O-CB 3.24Å; E199-K202 WeakPolarHBondContact O-CB 3.34Å; E199-K202 PolarHBondContact O-N 3.18Å; E199-K202 WeakPolarHBondContact OE1-CE 3.5Å; E199-K202 IonicContact OE1-NZ 3.2Å; E199-K202 PolarHBondContact OE1-NZ 3.4Å; E199-K202 IonicContact OE2-NZ 3.33Å; E199-K202 PolarHBondContact OE2-NZ 3.43Å
200	L	51.5	Low	58.7	Low	107 Å²	107	126.7 Å²	126.7	56%	0.56	55%	0.55	S	S	*	*	H	α-helix	trans	-61.6	-27.6	178.8	-76.2	162.9	0	0	0	113.3	R196 R197 K202 E203	R196-L200 WeakPolarHBondContact O-CB 3.39Å; R196-L200 VanDerWaalsContact O-CG 3.3Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 3.49Å; R197-L200 PolarHBondContact O-N 3.37Å; L200-K202 VanDerWaalsContact C-N 3.26Å; L200-K202 PolarHBondContact O-N 3.21Å; L200-E203 PolarHBondContact O-N 3.27Å
201	Y	47.4	Very low	58.9	Low	192 Å²	192	123.1 Å²	123.1	75%	0.753	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.1	171.9	-79.4	-67.6	0	0	0	114.4	R197 R198 E199 E203	R197-Y201 WeakPolarHBondContact O-CD2 3.35Å; R197-Y201 PolarHBondContact O-N 3.04Å; R198-Y201 PolarHBondContact O-N 3.37Å; E199-Y201 PolarHBondContact O-N 3.11Å; Y201-E203 VanDerWaalsContact C-N 3.31Å
202	K	50.3	Low	58.8	Low	128 Å²	128	122.6 Å²	122.6	56%	0.557	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.6	168.1	-62.3	176.8	176.6	170.1	0	113.4	E199 L200 K204 H216	E199-K202 WeakPolarHBondContact O-CA 3.5Å; E199-K202 VanDerWaalsContact O-CB 3.24Å; E199-K202 WeakPolarHBondContact O-CB 3.34Å; E199-K202 PolarHBondContact O-N 3.18Å; E199-K202 WeakPolarHBondContact OE1-CE 3.5Å; E199-K202 IonicContact OE1-NZ 3.2Å; E199-K202 PolarHBondContact OE1-NZ 3.4Å; E199-K202 IonicContact OE2-NZ 3.33Å; E199-K202 PolarHBondContact OE2-NZ 3.43Å; L200-K202 VanDerWaalsContact C-N 3.26Å; L200-K202 PolarHBondContact O-N 3.21Å; K202-K204 PolarHBondContact O-N 3.3Å; K202-K204 VanDerWaalsContact O-N 3.1Å; K202-H216 PolarHBondContact O-CE1 3.23Å
203	E	56.1	Low	59	Low	147 Å²	147	123.1 Å²	123.1	69%	0.687	54%	0.543	S	S	*	.			trans	-63	115.1	177.2	-73.2	-163.2	151.6	0	0	112.2	L200 Y201 R205	L200-E203 PolarHBondContact O-N 3.27Å; Y201-E203 VanDerWaalsContact C-N 3.31Å; E203-R205 PolarHBondContact O-N 3.25Å
204	K	57.5	Low	59.5	Low	102 Å²	102	118.9 Å²	118.9	44%	0.443	53%	0.526	S	S	.	.			trans	-76.6	80.9	-179.5	-80.1	163.3	164.8	178.1	0	111	K202 F206 F207 G214 F215 H216	K202-K204 PolarHBondContact O-N 3.3Å; K202-K204 VanDerWaalsContact O-N 3.1Å; K204-F206 PolarHBondContact O-N 3.29Å; K204-F207 HydrophobicContact CB-CE1 4.32Å; K204-F207 HydrophobicContact CB-CZ 4.34Å; K204-F207 WeakPolarHBondContact O-CE2 3.35Å; K204-F207 VanDerWaalsContact O-CZ 3.24Å; K204-F207 WeakPolarHBondContact O-CZ 3.4Å; K204-G214 VanDerWaalsContact CD-O 3.28Å; K204-G214 WeakPolarHBondContact CD-O 3.27Å; K204-F215 CarbonylContact C-O 3.17Å; K204-H216 WeakPolarHBondContact CG-NE2 3.37Å
205	R	62.4	Low	60.4	Low	211 Å²	211	111.7 Å²	111.7	80%	0.796	50%	0.5	S	S	*	.			trans	-55.5	-11.9	-168.5	-158.4	169.8	-175.1	174.1	3.5	117.6	E203 F215	E203-R205 PolarHBondContact O-N 3.25Å; R205-F215 PolarHBondContact N-O 2.89Å
206	F	63.5	Low	61.2	Low	70 Å²	70	112.7 Å²	112.7	31%	0.307	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	105.8	179.3	-61	-83.7	0	0	0	111.2	K204 F215 N218 L221	K204-F206 PolarHBondContact O-N 3.29Å; F206-F215 PolarHBondContact N-O 3.47Å; F206-F215 PolarHBondContact O-N 2.92Å; F206-N218 HydrophobicContact CD1-CB 3.94Å; F206-N218 HydrophobicContact CD2-CB 4.48Å; F206-N218 HydrophobicContact CE1-CB 3.77Å; F206-N218 HydrophobicContact CE2-CB 4.32Å; F206-N218 HydrophobicContact CG-CB 4.3Å; F206-N218 HydrophobicContact CZ-CB 3.97Å; F206-L221 HydrophobicContact CB-CB 4.25Å; F206-L221 HydrophobicContact CB-CD2 3.92Å
207	F	63.1	Low	61.8	Low	121 Å²	121	110.9 Å²	110.9	53%	0.531	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.8	-179.1	-64.3	-85.8	0	0	0	113.1	K204	K204-F207 HydrophobicContact CB-CE1 4.32Å; K204-F207 HydrophobicContact CB-CZ 4.34Å; K204-F207 WeakPolarHBondContact O-CE2 3.35Å; K204-F207 VanDerWaalsContact O-CZ 3.24Å; K204-F207 WeakPolarHBondContact O-CZ 3.4Å
208	C	68.1	Low	62.2	Low	1 Å²	1	108.1 Å²	108.1	1%	0.007	49%	0.492	C	S	.	.			trans	-84.5	110.2	170	177.4	0	0	0	0	111.2	L210 C211 N212 K213 F215 L221 H224 M225 H228	C208-L210 PolarHBondContact O-N 3Å; C208-L210 PolarHBondContact SG-N 3.09Å; C208-C211 PolarHBondContact O-N 3.02Å; C208-C211 VanDerWaalsContact SG-SG 3.67Å; C208-N212 WeakPolarHBondContact O-CA 3.48Å; C208-N212 PolarHBondContact O-N 3.44Å; C208-K213 WeakPolarHBondContact CB-O 3.38Å; C208-K213 PolarHBondContact N-O 3.32Å; C208-F215 HydrophobicContact CB-CE2 4.45Å; C208-L221 HydrophobicContact CB-CD1 3.8Å; C208-H224 PolarHBondContact SG-NE2 2.91Å; C208-H224 VanDerWaalsContact SG-NE2 3.44Å; C208-M225 HydrophobicContact CB-CE 4.43Å; C208-M225 WeakPolarHBondContact SG-CE 3.42Å; C208-H228 PolarHBondContact SG-NE2 2.96Å
209	E	61.4	Low	63.1	Low	158 Å²	158	105 Å²	105	74%	0.738	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-23.8	174.6	-67.3	180	-168.9	0	0	114.3	K243	E209-K243 IonicContact OE2-NZ 3.53Å; E209-K243 PolarHBondContact OE2-NZ 3.26Å
210	L	62	Low	64	Low	69 Å²	69	103.9 Å²	103.9	36%	0.361	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-13.8	-172.2	-56.4	179.4	0	0	0	114.5	C208 M225 H228 Y242	C208-L210 PolarHBondContact O-N 3Å; C208-L210 PolarHBondContact SG-N 3.09Å; L210-M225 HydrophobicContact CD1-CE 4Å; L210-M225 HydrophobicContact CG-CE 4.29Å; L210-H228 HydrophobicContact CD1-CB 4.34Å; L210-H228 PolarHBondContact O-CE1 3.34Å; L210-Y242 HydrophobicContact CD1-CD1 3.99Å; L210-Y242 HydrophobicContact CD1-CG 4.26Å
211	C	71.6	Confident	65	Low	51 Å²	51	99.9 Å²	99.9	35%	0.345	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.1	15.4	176.2	66.8	0	0	0	0	114.5	C208 K213 H224 H228	C208-C211 PolarHBondContact O-N 3.02Å; C208-C211 VanDerWaalsContact SG-SG 3.67Å; C211-K213 PolarHBondContact O-N 2.97Å; C211-H224 PolarHBondContact SG-NE2 2.86Å; C211-H228 WeakPolarHBondContact CB-CE1 3.41Å; C211-H228 PolarHBondContact N-CE1 3.22Å; C211-H228 PolarHBondContact SG-CE1 3.33Å; C211-H228 PolarHBondContact SG-NE2 3.06Å
212	N	62.7	Low	65.8	Low	128 Å²	128	94.2 Å²	94.2	68%	0.684	45%	0.445	S	S	*	.			trans	52.4	11.4	-177.4	-121	-1.3	0	0	0	117.1	C208 G214	C208-N212 WeakPolarHBondContact O-CA 3.48Å; C208-N212 PolarHBondContact O-N 3.44Å; N212-G214 PolarHBondContact O-N 2.83Å
213	K	69.4	Low	66.8	Low	130 Å²	130	94.9 Å²	94.9	57%	0.565	45%	0.448	S	S	*	.			trans	-64.9	118.6	174	-71.3	-176.2	-178.8	-177	0	109.9	C208 C211 F215	C208-K213 WeakPolarHBondContact CB-O 3.38Å; C208-K213 PolarHBondContact N-O 3.32Å; C211-K213 PolarHBondContact O-N 2.97Å; K213-F215 HydrophobicContact CB-CE2 3.93Å; K213-F215 HydrophobicContact CB-CZ 4.1Å; K213-F215 WeakPolarHBondContact O-CD2 3.38Å; K213-F215 WeakPolarHBondContact O-CE2 3.19Å
214	G	71	Confident	67.7	Low	12 Å²	12	89.1 Å²	89.1	12%	0.124	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.1	177.2	0	0	0	0	0	113.4	K204 N212	K204-G214 VanDerWaalsContact CD-O 3.28Å; K204-G214 WeakPolarHBondContact CD-O 3.27Å; N212-G214 PolarHBondContact O-N 2.83Å
215	F	78.7	Confident	68	Low	41 Å²	41	86.9 Å²	86.9	18%	0.18	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.5	179	-58.8	-88.2	0	0	0	110.5	K204 R205 F206 C208 K213 Q220 L221 H224	K204-F215 CarbonylContact C-O 3.17Å; R205-F215 PolarHBondContact N-O 2.89Å; F206-F215 PolarHBondContact N-O 3.47Å; F206-F215 PolarHBondContact O-N 2.92Å; C208-F215 HydrophobicContact CB-CE2 4.45Å; K213-F215 HydrophobicContact CB-CE2 3.93Å; K213-F215 HydrophobicContact CB-CZ 4.1Å; K213-F215 WeakPolarHBondContact O-CD2 3.38Å; K213-F215 WeakPolarHBondContact O-CE2 3.19Å; F215-Q220 HydrophobicContact CB-CB 4.05Å; F215-Q220 HydrophobicContact CD1-CB 3.77Å; F215-Q220 HydrophobicContact CG-CB 4.17Å; F215-L221 HydrophobicContact CB-CB 4.4Å; F215-L221 HydrophobicContact CD2-CB 3.99Å; F215-L221 HydrophobicContact CD2-CD1 4Å; F215-L221 HydrophobicContact CE2-CD1 4.17Å; F215-L221 HydrophobicContact CG-CB 4.34Å; F215-H224 HydrophobicContact CE1-CB 4.01Å; F215-H224 HydrophobicContact CE2-CB 3.91Å; F215-H224 AromaticContact CE2-CD2 3.27Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.42Å; F215-H224 AromaticContact CE2-CG 3.68Å; F215-H224 HydrophobicContact CZ-CB 3.47Å; F215-H224 VanDerWaalsContact CZ-CB 3.47Å; F215-H224 AromaticContact CZ-CD2 3.38Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.21Å; F215-H224 AromaticContact CZ-CG 3.31Å
216	H	70.9	Confident	68.1	Low	93 Å²	93	80.7 Å²	80.7	43%	0.431	41%	0.406	S	S	.	.	S	Bend	trans	-85.7	-17.4	179.5	-59.9	-84.8	0	0	0	112.8	K202 K204	K202-H216 PolarHBondContact O-CE1 3.23Å; K204-H216 WeakPolarHBondContact CG-NE2 3.37Å
217	Q	71.3	Confident	68	Low	119 Å²	119	81.4 Å²	81.4	56%	0.556	42%	0.42	S	S	*	.	S	Bend	trans	-135.3	138.5	-179.4	-58.8	-177.6	7.1	0	0	112.2	H219 Q220 L221	Q217-H219 PolarHBondContact O-N 3.03Å; Q217-H219 VanDerWaalsContact O-N 3.16Å; Q217-Q220 HydrophobicContact CB-CG 4.25Å; Q217-Q220 WeakPolarHBondContact O-CB 3.35Å; Q217-Q220 PolarHBondContact O-N 3.06Å; Q217-L221 PolarHBondContact O-N 3.15Å
218	N	61	Low	68.1	Low	89 Å²	89	77.6 Å²	77.6	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-32.6	-178	-167.7	14.9	0	0	0	113.6	F206 Q220 L221 T222	F206-N218 HydrophobicContact CD1-CB 3.94Å; F206-N218 HydrophobicContact CD2-CB 4.48Å; F206-N218 HydrophobicContact CE1-CB 3.77Å; F206-N218 HydrophobicContact CE2-CB 4.32Å; F206-N218 HydrophobicContact CG-CB 4.3Å; F206-N218 HydrophobicContact CZ-CB 3.97Å; N218-Q220 VanDerWaalsContact C-N 3.3Å; N218-Q220 PolarHBondContact O-N 3.07Å; N218-L221 PolarHBondContact O-N 3.26Å; N218-T222 WeakPolarHBondContact O-CB 3.48Å; N218-T222 PolarHBondContact O-N 3.39Å; N218-T222 PolarHBondContact O-OG1 3.13Å
219	H	72.2	Confident	67.7	Low	133 Å²	133	88.9 Å²	88.9	62%	0.616	45%	0.446	S	S	*	.	H	α-helix	trans	-65.5	-31.9	176.4	-175.9	59.1	0	0	0	112.9	Q217 T222 K223	Q217-H219 PolarHBondContact O-N 3.03Å; Q217-H219 VanDerWaalsContact O-N 3.16Å; H219-T222 PolarHBondContact O-N 2.84Å; H219-K223 PolarHBondContact O-N 3.12Å
220	Q	72.1	Confident	68	Low	79 Å²	79	86 Å²	86	37%	0.369	43%	0.432	S	S	.	.	H	α-helix	trans	-70	-45.3	175.1	-61.6	170.1	-21	0	0	110.6	F215 Q217 N218 T222 K223 H224	F215-Q220 HydrophobicContact CB-CB 4.05Å; F215-Q220 HydrophobicContact CD1-CB 3.77Å; F215-Q220 HydrophobicContact CG-CB 4.17Å; Q217-Q220 HydrophobicContact CB-CG 4.25Å; Q217-Q220 WeakPolarHBondContact O-CB 3.35Å; Q217-Q220 PolarHBondContact O-N 3.06Å; N218-Q220 VanDerWaalsContact C-N 3.3Å; N218-Q220 PolarHBondContact O-N 3.07Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.37Å; Q220-K223 PolarHBondContact O-N 3.11Å; Q220-H224 WeakPolarHBondContact O-CB 3.42Å; Q220-H224 PolarHBondContact O-N 3.15Å
221	L	72.4	Confident	68	Low	23 Å²	23	87 Å²	87	12%	0.12	44%	0.442	C	S	.	.	H	α-helix	trans	-58	-42	171	174.3	60.2	0	0	0	111.4	F206 C208 F215 Q217 N218 H224 M225	F206-L221 HydrophobicContact CB-CB 4.25Å; F206-L221 HydrophobicContact CB-CD2 3.92Å; C208-L221 HydrophobicContact CB-CD1 3.8Å; F215-L221 HydrophobicContact CB-CB 4.4Å; F215-L221 HydrophobicContact CD2-CB 3.99Å; F215-L221 HydrophobicContact CD2-CD1 4Å; F215-L221 HydrophobicContact CE2-CD1 4.17Å; F215-L221 HydrophobicContact CG-CB 4.34Å; Q217-L221 PolarHBondContact O-N 3.15Å; N218-L221 PolarHBondContact O-N 3.26Å; L221-H224 CarbonylContact O-C 3.58Å; L221-H224 PolarHBondContact O-N 3.44Å; L221-M225 HydrophobicContact CD1-CE 4.45Å; L221-M225 HydrophobicContact CD1-CG 4.44Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.19Å; L221-M225 PolarHBondContact O-N 2.97Å
222	T	65.1	Low	67.9	Low	74 Å²	74	88.1 Å²	88.1	45%	0.454	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-41.3	178.4	-55.5	0	0	0	0	112.1	N218 H219 Q220	N218-T222 WeakPolarHBondContact O-CB 3.48Å; N218-T222 PolarHBondContact O-N 3.39Å; N218-T222 PolarHBondContact O-OG1 3.13Å; H219-T222 PolarHBondContact O-N 2.84Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.37Å
223	K	70.8	Confident	68.2	Low	142 Å²	142	85.5 Å²	85.5	62%	0.617	43%	0.431	S	S	*	.	H	α-helix	trans	-64.4	-42.7	171.3	-79.4	-177.6	168.7	177.3	0	111.6	H219 Q220 M225 A226	H219-K223 PolarHBondContact O-N 3.12Å; Q220-K223 PolarHBondContact O-N 3.11Å; K223-M225 VanDerWaalsContact C-N 3.35Å; K223-M225 PolarHBondContact O-N 2.93Å; K223-A226 WeakPolarHBondContact O-CB 3.49Å; K223-A226 PolarHBondContact O-N 2.86Å; K223-A226 VanDerWaalsContact O-N 3.16Å
224	H	74.1	Confident	68.4	Low	25 Å²	25	79.8 Å²	79.8	12%	0.116	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-33.8	178.4	171.8	55.7	0	0	0	113.1	C208 C211 F215 Q220 L221 A226 S227 H228	C208-H224 PolarHBondContact SG-NE2 2.91Å; C208-H224 VanDerWaalsContact SG-NE2 3.44Å; C211-H224 PolarHBondContact SG-NE2 2.86Å; F215-H224 HydrophobicContact CE1-CB 4.01Å; F215-H224 HydrophobicContact CE2-CB 3.91Å; F215-H224 AromaticContact CE2-CD2 3.27Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.42Å; F215-H224 AromaticContact CE2-CG 3.68Å; F215-H224 HydrophobicContact CZ-CB 3.47Å; F215-H224 VanDerWaalsContact CZ-CB 3.47Å; F215-H224 AromaticContact CZ-CD2 3.38Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.21Å; F215-H224 AromaticContact CZ-CG 3.31Å; Q220-H224 WeakPolarHBondContact O-CB 3.42Å; Q220-H224 PolarHBondContact O-N 3.15Å; L221-H224 CarbonylContact O-C 3.58Å; L221-H224 PolarHBondContact O-N 3.44Å; H224-A226 PolarHBondContact O-N 3.48Å; H224-S227 PolarHBondContact ND1-OG 3.15Å; H224-S227 WeakPolarHBondContact O-CB 3.21Å; H224-S227 PolarHBondContact O-N 3.49Å; H224-S227 PolarHBondContact O-OG 3.04Å; H224-H228 AromaticContact CD2-NE2 2.99Å; H224-H228 PolarHBondContact CD2-NE2 3.36Å; H224-H228 AromaticContact CE1-CD2 3.86Å; H224-H228 AromaticContact CE1-NE2 2.63Å; H224-H228 PolarHBondContact CE1-NE2 3.33Å; H224-H228 AromaticContact CG-NE2 3.79Å; H224-H228 AromaticContact ND1-NE2 3.61Å; H224-H228 AromaticContact NE2-CD2 3.82Å; H224-H228 AromaticContact NE2-NE2 2.09Å; H224-H228 PolarHBondContact NE2-NE2 2.91Å; H224-H228 PolarHBondContact O-CD2 3.04Å
225	M	63.6	Low	68.2	Low	56 Å²	56	85.4 Å²	85.4	28%	0.276	44%	0.435	S	S	.	.	H	α-helix	trans	-54.4	-34.6	172.6	-72.8	-85.9	91.9	0	0	112.3	C208 L210 L221 K223 S227 H228 Y242	C208-M225 HydrophobicContact CB-CE 4.43Å; C208-M225 WeakPolarHBondContact SG-CE 3.42Å; L210-M225 HydrophobicContact CD1-CE 4Å; L210-M225 HydrophobicContact CG-CE 4.29Å; L221-M225 HydrophobicContact CD1-CE 4.45Å; L221-M225 HydrophobicContact CD1-CG 4.44Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.19Å; L221-M225 PolarHBondContact O-N 2.97Å; K223-M225 VanDerWaalsContact C-N 3.35Å; K223-M225 PolarHBondContact O-N 2.93Å; M225-S227 VanDerWaalsContact C-N 3.28Å; M225-S227 PolarHBondContact O-N 3.5Å; M225-H228 PolarHBondContact O-N 2.96Å; M225-Y242 PolarHBondContact O-OH 3.46Å
226	A	64.3	Low	67.5	Low	80 Å²	80	86.6 Å²	86.6	66%	0.661	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.4	176.3	0	0	0	0	0	114.2	K223 H224	K223-A226 WeakPolarHBondContact O-CB 3.49Å; K223-A226 PolarHBondContact O-N 2.86Å; K223-A226 VanDerWaalsContact O-N 3.16Å; H224-A226 PolarHBondContact O-N 3.48Å
227	S	62.6	Low	67.6	Low	85 Å²	85	83.9 Å²	83.9	59%	0.594	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.4	175.7	68.8	0	0	0	0	114.1	H224 M225	H224-S227 PolarHBondContact ND1-OG 3.15Å; H224-S227 WeakPolarHBondContact O-CB 3.21Å; H224-S227 PolarHBondContact O-N 3.49Å; H224-S227 PolarHBondContact O-OG 3.04Å; M225-S227 VanDerWaalsContact C-N 3.28Å; M225-S227 PolarHBondContact O-N 3.5Å
228	H	64.8	Low	67.1	Low	42 Å²	42	86.5 Å²	86.5	19%	0.194	46%	0.461	C	S	.	.	S	Bend	trans	-78	125.9	174.2	-76.6	-87.6	0	0	0	110.4	C208 L210 C211 H224 M225 K230 Y242	C208-H228 PolarHBondContact SG-NE2 2.96Å; L210-H228 HydrophobicContact CD1-CB 4.34Å; L210-H228 PolarHBondContact O-CE1 3.34Å; C211-H228 WeakPolarHBondContact CB-CE1 3.41Å; C211-H228 PolarHBondContact N-CE1 3.22Å; C211-H228 PolarHBondContact SG-CE1 3.33Å; C211-H228 PolarHBondContact SG-NE2 3.06Å; H224-H228 AromaticContact CD2-NE2 2.99Å; H224-H228 PolarHBondContact CD2-NE2 3.36Å; H224-H228 AromaticContact CE1-CD2 3.86Å; H224-H228 AromaticContact CE1-NE2 2.63Å; H224-H228 PolarHBondContact CE1-NE2 3.33Å; H224-H228 AromaticContact CG-NE2 3.79Å; H224-H228 AromaticContact ND1-NE2 3.61Å; H224-H228 AromaticContact NE2-CD2 3.82Å; H224-H228 AromaticContact NE2-NE2 2.09Å; H224-H228 PolarHBondContact NE2-NE2 2.91Å; H224-H228 PolarHBondContact O-CD2 3.04Å; M225-H228 PolarHBondContact O-N 2.96Å; H228-K230 PolarHBondContact O-N 3.16Å; H228-Y242 HydrophobicContact CB-CD1 4.24Å; H228-Y242 HydrophobicContact CB-CE1 3.81Å
229	R	60	Low	67.5	Low	237 Å²	237	87.9 Å²	87.9	89%	0.894	46%	0.462	S	S	*	.			trans	-58	131	165.3	-75.6	-170.3	175	-162.6	0.1	108.3	P231	R229-P231 WeakPolarHBondContact O-CD 3.43Å
230	K	67.8	Low	67.4	Low	99 Å²	99	82.2 Å²	82.2	43%	0.43	44%	0.44	S	S	.	.			trans	-86.6	103.1	-177.4	-74.1	155.1	156.3	-140.8	0	109.1	H228 F232 G240 F241 Y242	H228-K230 PolarHBondContact O-N 3.16Å; K230-F232 PolarHBondContact O-N 3.5Å; K230-G240 VanDerWaalsContact CD-O 3.25Å; K230-G240 WeakPolarHBondContact CD-O 3.46Å; K230-G240 VanDerWaalsContact CE-O 3.28Å; K230-G240 WeakPolarHBondContact CE-O 3.41Å; K230-G240 PolarHBondContact NZ-O 2.95Å; K230-F241 CarbonylContact C-O 3.58Å; K230-Y242 HydrophobicContact CB-CE1 4.39Å; K230-Y242 HydrophobicContact CD-CE1 4.34Å; K230-Y242 WeakPolarHBondContact CE-OH 3.44Å; K230-Y242 HydrophobicContact CG-CD1 3.82Å; K230-Y242 HydrophobicContact CG-CE1 3.3Å; K230-Y242 HydrophobicContact CG-CE2 4.29Å; K230-Y242 HydrophobicContact CG-CG 4.48Å
231	P	62.5	Low	67.7	Low	89 Å²	89	80.8 Å²	80.8	58%	0.578	43%	0.433	S	S	*	.	S	Bend	trans	-74.8	-11.1	-167.1	-16.3	33.1	0	0	0	113.9	R229 P233 F241	R229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-P233 VanDerWaalsContact C-CD 3.46Å; P231-P233 WeakPolarHBondContact O-CD 3.42Å; P231-F241 WeakPolarHBondContact CD-O 3.23Å
232	F	69.2	Low	67.2	Low	75 Å²	75	83 Å²	83	33%	0.329	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	78.3	-177.9	-55.2	-76.5	0	0	0	109.7	K230 F241 A244 L247	K230-F232 PolarHBondContact O-N 3.5Å; F232-F241 HydrophobicContact CB-CB 4.34Å; F232-F241 PolarHBondContact N-O 3.34Å; F232-F241 VanDerWaalsContact N-O 3.16Å; F232-F241 PolarHBondContact O-N 3.06Å; F232-A244 HydrophobicContact CD1-CB 3.92Å; F232-A244 HydrophobicContact CE1-CB 3.7Å; F232-A244 HydrophobicContact CG-CB 4.44Å; F232-A244 HydrophobicContact CZ-CB 4.03Å; F232-L247 HydrophobicContact CB-CB 4.08Å; F232-L247 HydrophobicContact CB-CD2 3.86Å
233	P	67.9	Low	67.4	Low	73 Å²	73	84.5 Å²	84.5	47%	0.474	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	160.4	169.6	29.5	-35.4	0	0	0	111.1	P231 L247	P231-P233 VanDerWaalsContact C-CD 3.46Å; P231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-L247 WeakPolarHBondContact O-CD1 3.21Å; P233-L247 WeakPolarHBondContact O-CD2 3.26Å
234	C	73.6	Confident	67.2	Low	9 Å²	9	80.3 Å²	80.3	6%	0.061	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.1	170.5	-173.5	0	0	0	0	109	A236 C237 K239 F241 L247 H250 H254	C234-A236 PolarHBondContact O-N 3.07Å; C234-C237 WeakPolarHBondContact CB-O 3.4Å; C234-C237 CarbonylContact O-C 3.51Å; C234-C237 PolarHBondContact O-N 2.69Å; C234-K239 WeakPolarHBondContact CB-O 3.38Å; C234-K239 PolarHBondContact N-O 2.93Å; C234-F241 HydrophobicContact CB-CE2 4.45Å; C234-L247 HydrophobicContact CB-CD1 3.63Å; C234-H250 VanDerWaalsContact SG-CD2 3.53Å; C234-H254 PolarHBondContact SG-NE2 3.32Å
235	D	67.1	Low	67	Low	131 Å²	131	84.1 Å²	84.1	70%	0.701	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.3	-172.1	-30.3	-71.5	0	0	0	112.4	K251	D235-K251 VanDerWaalsContact OD2-CE 3.27Å; D235-K251 WeakPolarHBondContact OD2-CE 3.29Å; D235-K251 IonicContact OD2-NZ 3.68Å; D235-K251 PolarHBondContact OD2-NZ 2.88Å
236	A	64.3	Low	67.5	Low	65 Å²	65	86 Å²	86	54%	0.537	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2	177.1	0	0	0	0	0	115.6	C234	C234-A236 PolarHBondContact O-N 3.07Å
237	C	72.2	Confident	68	Low	36 Å²	36	83.1 Å²	83.1	24%	0.243	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	162	164.3	61.4	0	0	0	0	112.6	C234 K239 H250 H254	C234-C237 WeakPolarHBondContact CB-O 3.4Å; C234-C237 CarbonylContact O-C 3.51Å; C234-C237 PolarHBondContact O-N 2.69Å; C237-K239 PolarHBondContact O-N 3.36Å; C237-H250 PolarHBondContact SG-NE2 2.94Å; C237-H250 VanDerWaalsContact SG-NE2 3.37Å; C237-H254 VanDerWaalsContact SG-CE1 3.55Å; C237-H254 PolarHBondContact SG-NE2 3.4Å; C237-H254 VanDerWaalsContact SG-NE2 3.42Å
238	D	62	Low	68.6	Low	175 Å²	175	84.2 Å²	84.2	94%	0.936	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	20.2	-170.8	-41.5	-67.9	0	0	0	117.5
239	K	69.5	Low	68.8	Low	117 Å²	117	87.8 Å²	87.8	51%	0.509	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	100.4	-178.8	-67.4	174.9	-174.2	163.7	0	110.8	C234 C237 F241	C234-K239 WeakPolarHBondContact CB-O 3.38Å; C234-K239 PolarHBondContact N-O 2.93Å; C237-K239 PolarHBondContact O-N 3.36Å; K239-F241 HydrophobicContact CB-CE2 3.74Å; K239-F241 HydrophobicContact CB-CZ 4.07Å; K239-F241 WeakPolarHBondContact O-CD2 3.2Å; K239-F241 WeakPolarHBondContact O-CE2 3.29Å
240	G	69.8	Low	69.5	Low	14 Å²	14	77.6 Å²	77.6	14%	0.144	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	144.3	164.1	0	0	0	0	0	113.7	K230	K230-G240 VanDerWaalsContact CD-O 3.25Å; K230-G240 WeakPolarHBondContact CD-O 3.46Å; K230-G240 VanDerWaalsContact CE-O 3.28Å; K230-G240 WeakPolarHBondContact CE-O 3.41Å; K230-G240 PolarHBondContact NZ-O 2.95Å
241	F	77.4	Confident	69.6	Low	49 Å²	49	76.6 Å²	76.6	22%	0.215	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	159.9	178.3	-62.2	-95.1	0	0	0	111.5	K230 P231 F232 C234 K239 M246 L247 H250	K230-F241 CarbonylContact C-O 3.58Å; P231-F241 WeakPolarHBondContact CD-O 3.23Å; F232-F241 HydrophobicContact CB-CB 4.34Å; F232-F241 PolarHBondContact N-O 3.34Å; F232-F241 VanDerWaalsContact N-O 3.16Å; F232-F241 PolarHBondContact O-N 3.06Å; C234-F241 HydrophobicContact CB-CE2 4.45Å; K239-F241 HydrophobicContact CB-CE2 3.74Å; K239-F241 HydrophobicContact CB-CZ 4.07Å; K239-F241 WeakPolarHBondContact O-CD2 3.2Å; K239-F241 WeakPolarHBondContact O-CE2 3.29Å; F241-M246 HydrophobicContact CD1-CB 4.06Å; F241-L247 HydrophobicContact CB-CB 4.34Å; F241-L247 HydrophobicContact CD2-CB 4.27Å; F241-L247 HydrophobicContact CD2-CD1 4Å; F241-L247 HydrophobicContact CE2-CD1 4.35Å; F241-L247 HydrophobicContact CG-CB 4.43Å; F241-H250 HydrophobicContact CE1-CB 4.18Å; F241-H250 HydrophobicContact CE2-CB 3.94Å; F241-H250 AromaticContact CE2-CD2 3.22Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.43Å; F241-H250 AromaticContact CE2-CG 3.74Å; F241-H250 HydrophobicContact CZ-CB 3.61Å; F241-H250 AromaticContact CZ-CD2 3.36Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.24Å; F241-H250 AromaticContact CZ-CG 3.44Å; F241-H250 VanDerWaalsContact CZ-CG 3.44Å
242	Y	63.9	Low	70	Confident	69 Å²	69	77 Å²	77	27%	0.271	40%	0.398	S	S	.	.	S	Bend	trans	-97.9	-13.7	-175.8	-54.1	-76.7	0	0	0	114.7	L210 M225 H228 K230	L210-Y242 HydrophobicContact CD1-CD1 3.99Å; L210-Y242 HydrophobicContact CD1-CG 4.26Å; M225-Y242 PolarHBondContact O-OH 3.46Å; H228-Y242 HydrophobicContact CB-CD1 4.24Å; H228-Y242 HydrophobicContact CB-CE1 3.81Å; K230-Y242 HydrophobicContact CB-CE1 4.39Å; K230-Y242 HydrophobicContact CD-CE1 4.34Å; K230-Y242 WeakPolarHBondContact CE-OH 3.44Å; K230-Y242 HydrophobicContact CG-CD1 3.82Å; K230-Y242 HydrophobicContact CG-CE1 3.3Å; K230-Y242 HydrophobicContact CG-CE2 4.29Å; K230-Y242 HydrophobicContact CG-CG 4.48Å
243	K	68.4	Low	69.6	Low	107 Å²	107	75.6 Å²	75.6	47%	0.465	40%	0.398	S	S	.	.	S	Bend	trans	-142	131.8	-179.9	-60.3	-174.4	-176.6	-179.6	0	109.1	E209 H245 M246 L247	E209-K243 IonicContact OE2-NZ 3.53Å; E209-K243 PolarHBondContact OE2-NZ 3.26Å; K243-H245 VanDerWaalsContact C-N 3.3Å; K243-H245 PolarHBondContact O-N 3.28Å; K243-M246 WeakPolarHBondContact O-CB 3.17Å; K243-M246 PolarHBondContact O-N 3.43Å; K243-L247 PolarHBondContact O-N 2.81Å
244	A	67.2	Low	69.6	Low	54 Å²	54	73.2 Å²	73.2	45%	0.446	38%	0.38	S	S	.	.	H	α-helix	trans	-53.8	-39.1	-171.4	0	0	0	0	0	114.4	F232 M246 L247 L248	F232-A244 HydrophobicContact CD1-CB 3.92Å; F232-A244 HydrophobicContact CE1-CB 3.7Å; F232-A244 HydrophobicContact CG-CB 4.44Å; F232-A244 HydrophobicContact CZ-CB 4.03Å; A244-M246 PolarHBondContact O-N 2.85Å; A244-L247 WeakPolarHBondContact O-CB 3.46Å; A244-L247 PolarHBondContact O-N 3.44Å; A244-L247 VanDerWaalsContact O-N 3.1Å; A244-L248 PolarHBondContact O-N 3.1Å
245	H	69.4	Low	68.9	Low	104 Å²	104	78.6 Å²	78.6	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-26.6	177.7	134	-86.8	0	0	0	114	K243 K249	K243-H245 VanDerWaalsContact C-N 3.3Å; K243-H245 PolarHBondContact O-N 3.28Å; H245-K249 PolarHBondContact NE2-NZ 3.5Å; H245-K249 PolarHBondContact O-N 3.04Å
246	M	73.1	Confident	68.3	Low	96 Å²	96	78.3 Å²	78.3	47%	0.473	40%	0.402	S	S	.	.	H	α-helix	trans	-78.2	-34.2	174	-67.1	-62.6	-173.4	0	0	111.8	F241 K243 A244 H250	F241-M246 HydrophobicContact CD1-CB 4.06Å; K243-M246 WeakPolarHBondContact O-CB 3.17Å; K243-M246 PolarHBondContact O-N 3.43Å; A244-M246 PolarHBondContact O-N 2.85Å; M246-H250 WeakPolarHBondContact O-CB 3.43Å; M246-H250 PolarHBondContact O-N 3.09Å
247	L	76.4	Confident	67.6	Low	19 Å²	19	82.7 Å²	82.7	10%	0.099	41%	0.405	C	S	.	.	H	α-helix	trans	-63.6	-42.8	167.2	174	63.2	0	0	0	110.5	F232 P233 C234 F241 K243 A244 K249 H250 K251	F232-L247 HydrophobicContact CB-CB 4.08Å; F232-L247 HydrophobicContact CB-CD2 3.86Å; P233-L247 WeakPolarHBondContact O-CD1 3.21Å; P233-L247 WeakPolarHBondContact O-CD2 3.26Å; C234-L247 HydrophobicContact CB-CD1 3.63Å; F241-L247 HydrophobicContact CB-CB 4.34Å; F241-L247 HydrophobicContact CD2-CB 4.27Å; F241-L247 HydrophobicContact CD2-CD1 4Å; F241-L247 HydrophobicContact CE2-CD1 4.35Å; F241-L247 HydrophobicContact CG-CB 4.43Å; K243-L247 PolarHBondContact O-N 2.81Å; A244-L247 WeakPolarHBondContact O-CB 3.46Å; A244-L247 PolarHBondContact O-N 3.44Å; A244-L247 VanDerWaalsContact O-N 3.1Å; L247-K249 PolarHBondContact O-N 3.32Å; L247-H250 CarbonylContact O-C 3.6Å; L247-H250 WeakPolarHBondContact O-CA 3.48Å; L247-H250 WeakPolarHBondContact O-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.39Å; L247-K251 HydrophobicContact CD1-CG 4.13Å; L247-K251 HydrophobicContact CG-CG 4.37Å; L247-K251 PolarHBondContact O-N 3Å
248	L	73.7	Confident	66.4	Low	108 Å²	108	87.2 Å²	87.2	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-60.1	-45.5	178.1	-171.3	66	0	0	0	111.9	A244 H250 K251 Q252	A244-L248 PolarHBondContact O-N 3.1Å; L248-H250 PolarHBondContact O-N 2.93Å; L248-K251 PolarHBondContact O-N 3.16Å; L248-Q252 WeakPolarHBondContact O-CG 3.38Å; L248-Q252 PolarHBondContact O-N 3.19Å
249	K	70.1	Confident	65.8	Low	117 Å²	117	82.4 Å²	82.4	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-26.7	172	-77.3	179.3	174.1	179.2	0	113.4	H245 L247 S253	H245-K249 PolarHBondContact NE2-NZ 3.5Å; H245-K249 PolarHBondContact O-N 3.04Å; L247-K249 PolarHBondContact O-N 3.32Å; K249-S253 PolarHBondContact O-N 3.44Å
250	H	73.7	Confident	64.8	Low	24 Å²	24	82.5 Å²	82.5	11%	0.111	41%	0.409	C	S	.	.	H	α-helix	trans	-80	-39	173.6	-176.6	42.3	0	0	0	112.8	C234 C237 F241 M246 L247 L248 Q252 S253 H254	C234-H250 VanDerWaalsContact SG-CD2 3.53Å; C237-H250 PolarHBondContact SG-NE2 2.94Å; C237-H250 VanDerWaalsContact SG-NE2 3.37Å; F241-H250 HydrophobicContact CE1-CB 4.18Å; F241-H250 HydrophobicContact CE2-CB 3.94Å; F241-H250 AromaticContact CE2-CD2 3.22Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.43Å; F241-H250 AromaticContact CE2-CG 3.74Å; F241-H250 HydrophobicContact CZ-CB 3.61Å; F241-H250 AromaticContact CZ-CD2 3.36Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.24Å; F241-H250 AromaticContact CZ-CG 3.44Å; F241-H250 VanDerWaalsContact CZ-CG 3.44Å; M246-H250 WeakPolarHBondContact O-CB 3.43Å; M246-H250 PolarHBondContact O-N 3.09Å; L247-H250 CarbonylContact O-C 3.6Å; L247-H250 WeakPolarHBondContact O-CA 3.48Å; L247-H250 WeakPolarHBondContact O-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.39Å; L248-H250 PolarHBondContact O-N 2.93Å; H250-Q252 VanDerWaalsContact C-N 3.28Å; H250-Q252 PolarHBondContact O-N 3.44Å; H250-S253 PolarHBondContact ND1-OG 2.82Å; H250-S253 CarbonylContact O-C 3.3Å; H250-S253 WeakPolarHBondContact O-CA 3.38Å; H250-S253 WeakPolarHBondContact O-CB 3.24Å; H250-S253 PolarHBondContact O-N 3.14Å; H250-S253 PolarHBondContact O-OG 3.07Å; H250-H254 AromaticContact CD2-NE2 3.82Å; H250-H254 AromaticContact CE1-CD2 3.78Å; H250-H254 AromaticContact CE1-NE2 3.26Å; H250-H254 PolarHBondContact CE1-NE2 2.76Å; H250-H254 VanDerWaalsContact CE1-NE2 3.26Å; H250-H254 AromaticContact NE2-CD2 3.79Å; H250-H254 AromaticContact NE2-NE2 3.09Å; H250-H254 PolarHBondContact NE2-NE2 2.91Å; H250-H254 PolarHBondContact O-CD2 3.25Å; H250-H254 PolarHBondContact O-N 3.33Å
251	K	70.6	Confident	63.6	Low	77 Å²	77	90.3 Å²	90.3	34%	0.335	44%	0.442	S	S	.	.	H	α-helix	trans	-61.5	-37.1	171.2	-68.1	-165.6	-177	-168.7	0	111.3	D235 L247 L248 S253 H254 Q255	D235-K251 VanDerWaalsContact OD2-CE 3.27Å; D235-K251 WeakPolarHBondContact OD2-CE 3.29Å; D235-K251 IonicContact OD2-NZ 3.68Å; D235-K251 PolarHBondContact OD2-NZ 2.88Å; L247-K251 HydrophobicContact CD1-CG 4.13Å; L247-K251 HydrophobicContact CG-CG 4.37Å; L247-K251 PolarHBondContact O-N 3Å; L248-K251 PolarHBondContact O-N 3.16Å; K251-S253 PolarHBondContact O-N 2.74Å; K251-H254 WeakPolarHBondContact O-CA 3.36Å; K251-H254 WeakPolarHBondContact O-CB 3.5Å; K251-H254 PolarHBondContact O-N 3.39Å; K251-Q255 PolarHBondContact O-N 2.82Å
252	Q	69.8	Low	62.3	Low	98 Å²	98	98 Å²	98	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-59.7	-25.6	167.8	-72.5	174.1	-10.5	0	0	113.9	L248 H250 L256	L248-Q252 WeakPolarHBondContact O-CG 3.38Å; L248-Q252 PolarHBondContact O-N 3.19Å; H250-Q252 VanDerWaalsContact C-N 3.28Å; H250-Q252 PolarHBondContact O-N 3.44Å; Q252-L256 WeakPolarHBondContact O-CG 3.43Å; Q252-L256 PolarHBondContact O-N 3.39Å
253	S	62.4	Low	61.4	Low	46 Å²	46	100 Å²	100	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-82.7	-14.1	172.2	75.1	0	0	0	0	114.3	K249 H250 K251 R257	K249-S253 PolarHBondContact O-N 3.44Å; H250-S253 PolarHBondContact ND1-OG 2.82Å; H250-S253 CarbonylContact O-C 3.3Å; H250-S253 WeakPolarHBondContact O-CA 3.38Å; H250-S253 WeakPolarHBondContact O-CB 3.24Å; H250-S253 PolarHBondContact O-N 3.14Å; H250-S253 PolarHBondContact O-OG 3.07Å; K251-S253 PolarHBondContact O-N 2.74Å; S253-R257 WeakPolarHBondContact O-CD 3.43Å; S253-R257 WeakPolarHBondContact O-CG 3.45Å
254	H	67.5	Low	60.5	Low	22 Å²	22	101.2 Å²	101.2	10%	0.102	50%	0.504	C	S	.	.	H	α-helix	trans	-85.3	-39.1	167.3	-71.2	-77.5	0	0	0	111.5	C234 C237 H250 K251 L256 R257 E258	C234-H254 PolarHBondContact SG-NE2 3.32Å; C237-H254 VanDerWaalsContact SG-CE1 3.55Å; C237-H254 PolarHBondContact SG-NE2 3.4Å; C237-H254 VanDerWaalsContact SG-NE2 3.42Å; H250-H254 AromaticContact CD2-NE2 3.82Å; H250-H254 AromaticContact CE1-CD2 3.78Å; H250-H254 AromaticContact CE1-NE2 3.26Å; H250-H254 PolarHBondContact CE1-NE2 2.76Å; H250-H254 VanDerWaalsContact CE1-NE2 3.26Å; H250-H254 AromaticContact NE2-CD2 3.79Å; H250-H254 AromaticContact NE2-NE2 3.09Å; H250-H254 PolarHBondContact NE2-NE2 2.91Å; H250-H254 PolarHBondContact O-CD2 3.25Å; H250-H254 PolarHBondContact O-N 3.33Å; K251-H254 WeakPolarHBondContact O-CA 3.36Å; K251-H254 WeakPolarHBondContact O-CB 3.5Å; K251-H254 PolarHBondContact O-N 3.39Å; H254-L256 PolarHBondContact O-N 3Å; H254-R257 CarbonylContact O-C 3.55Å; H254-R257 WeakPolarHBondContact O-CA 3.14Å; H254-R257 WeakPolarHBondContact O-CB 3.22Å; H254-R257 PolarHBondContact O-N 3.06Å; H254-E258 PolarHBondContact O-N 3.21Å
255	Q	59.4	Low	59.8	Low	123 Å²	123	105.2 Å²	105.2	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-57.5	-32.9	169.6	-68.6	173.4	-31.2	0	0	112.5	K251 R257 E258	K251-Q255 PolarHBondContact O-N 2.82Å; Q255-R257 VanDerWaalsContact C-N 3.28Å; Q255-R257 PolarHBondContact O-N 3.4Å; Q255-E258 WeakPolarHBondContact CA-OE2 3.46Å
256	L	53.7	Low	59	Low	125 Å²	125	108.1 Å²	108.1	65%	0.654	53%	0.529	S	S	*	.	H	α-helix	trans	-77.5	-5.8	171.7	-74	171.6	0	0	0	114.6	Q252 H254 Q260	Q252-L256 WeakPolarHBondContact O-CG 3.43Å; Q252-L256 PolarHBondContact O-N 3.39Å; H254-L256 PolarHBondContact O-N 3Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.49Å; L256-Q260 PolarHBondContact O-OE1 3.17Å
257	R	48.9	Very low	58.4	Low	157 Å²	157	106.6 Å²	106.6	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-108.5	-33.4	177.6	-79.2	173.1	150.5	-142.4	-12.4	113.2	S253 H254 Q255 A259 Q260 E261	S253-R257 WeakPolarHBondContact O-CD 3.43Å; S253-R257 WeakPolarHBondContact O-CG 3.45Å; H254-R257 CarbonylContact O-C 3.55Å; H254-R257 WeakPolarHBondContact O-CA 3.14Å; H254-R257 WeakPolarHBondContact O-CB 3.22Å; H254-R257 PolarHBondContact O-N 3.06Å; Q255-R257 VanDerWaalsContact C-N 3.28Å; Q255-R257 PolarHBondContact O-N 3.4Å; R257-A259 PolarHBondContact O-N 3.22Å; R257-Q260 CarbonylContact O-C 3.36Å; R257-Q260 VanDerWaalsContact O-CA 3.3Å; R257-Q260 WeakPolarHBondContact O-CA 3.02Å; R257-Q260 VanDerWaalsContact O-CB 3.31Å; R257-Q260 WeakPolarHBondContact O-CB 3.39Å; R257-Q260 PolarHBondContact O-N 3.36Å; R257-E261 PolarHBondContact O-N 3.14Å
258	E	48.3	Very low	58.1	Low	130 Å²	130	108.9 Å²	108.9	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-58.5	-37.6	166.7	-68.5	155.5	175.1	0	0	109.4	H254 Q255 Q260 E261	H254-E258 PolarHBondContact O-N 3.21Å; Q255-E258 WeakPolarHBondContact CA-OE2 3.46Å; E258-Q260 PolarHBondContact O-N 3.24Å; E258-Q260 VanDerWaalsContact O-N 3.14Å; E258-E261 PolarHBondContact O-N 2.86Å
259	A	48.3	Very low	57.6	Low	74 Å²	74	107.5 Å²	107.5	61%	0.612	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.2	168	0	0	0	0	0	115.4	R257	R257-A259 PolarHBondContact O-N 3.22Å
260	Q	50	Low	57.8	Low	120 Å²	120	102 Å²	102	56%	0.561	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	1.4	176.8	-62.2	-172.9	-80.6	0	0	113.8	L256 R257 E258 R262	L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.49Å; L256-Q260 PolarHBondContact O-OE1 3.17Å; R257-Q260 CarbonylContact O-C 3.36Å; R257-Q260 VanDerWaalsContact O-CA 3.3Å; R257-Q260 WeakPolarHBondContact O-CA 3.02Å; R257-Q260 VanDerWaalsContact O-CB 3.31Å; R257-Q260 WeakPolarHBondContact O-CB 3.39Å; R257-Q260 PolarHBondContact O-N 3.36Å; E258-Q260 PolarHBondContact O-N 3.24Å; E258-Q260 VanDerWaalsContact O-N 3.14Å; Q260-R262 PolarHBondContact O-N 3.48Å
261	E	43.6	Very low	57.4	Low	178 Å²	178	107 Å²	107	83%	0.832	53%	0.529	S	S	*	.			trans	-76.6	41.4	163.2	-61.4	-161.5	156.6	0	0	111.7	R257 E258	R257-E261 PolarHBondContact O-N 3.14Å; E258-E261 PolarHBondContact O-N 2.86Å
262	R	49.5	Very low	57	Low	210 Å²	210	108.6 Å²	108.6	79%	0.792	54%	0.537	S	S	*	.	S	Bend	trans	-135.5	100.1	164.1	-88.9	-167	-80	-159.6	-7.7	109.6	Q260	Q260-R262 PolarHBondContact O-N 3.48Å
263	D	45.8	Very low	56.8	Low	112 Å²	112	106.4 Å²	106.4	60%	0.599	53%	0.532	S	S	*	.			trans	53.5	98.4	151.2	-149.8	-23.5	0	0	0	116.9	D265 K266	D263-D265 PolarHBondContact O-N 2.87Å; D263-K266 HydrophobicContact CB-CB 4.37Å; D263-K266 PolarHBondContact O-N 3.04Å
264	P	48.9	Very low	56.8	Low	131 Å²	131	108 Å²	108	85%	0.851	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26	-172.7	-29	36.3	0	0	0	116.6
265	D	52.4	Low	56.7	Low	138 Å²	138	114.5 Å²	114.5	74%	0.738	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	0.3	-178.1	-86.7	-47.6	0	0	0	114.5	D263 L267	D263-D265 PolarHBondContact O-N 2.87Å; D265-L267 PolarHBondContact O-N 3.33Å
266	K	52.1	Low	57	Low	166 Å²	166	114.9 Å²	114.9	72%	0.722	57%	0.566	S	S	*	*			trans	-77.3	64.4	178.2	-159.3	157.1	-168.7	161.5	0	112.9	D263 L268	D263-K266 HydrophobicContact CB-CB 4.37Å; D263-K266 PolarHBondContact O-N 3.04Å; K266-L268 PolarHBondContact O-N 2.96Å
267	L	60.8	Low	57.8	Low	63 Å²	63	110.8 Å²	110.8	33%	0.33	54%	0.544	S	S	.	.			trans	-59.8	127.9	177.5	-61	170.9	0	0	0	111.3	D265 Q269 K276 R278	D265-L267 PolarHBondContact O-N 3.33Å; L267-Q269 PolarHBondContact O-N 3.08Å; L267-Q269 VanDerWaalsContact O-N 3.11Å; L267-K276 HydrophobicContact CB-CB 3.84Å; L267-K276 HydrophobicContact CB-CD 4.33Å; L267-K276 HydrophobicContact CB-CG 4.35Å; L267-K276 HydrophobicContact CD1-CB 4.02Å; L267-K276 HydrophobicContact CD1-CD 4.18Å; L267-R278 HydrophobicContact CD2-CG 3.57Å
268	L	69.9	Low	58.3	Low	67 Å²	67	113.3 Å²	113.3	35%	0.351	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.5	105.6	-178.8	-61.3	170.6	0	0	0	109.8	K266 F277 L280 L283	K266-L268 PolarHBondContact O-N 2.96Å; L268-F277 PolarHBondContact N-O 3.33Å; L268-F277 PolarHBondContact O-N 3.33Å; L268-L280 HydrophobicContact CD1-CB 3.85Å; L268-L280 HydrophobicContact CD1-CD1 4.25Å; L268-L283 HydrophobicContact CB-CD2 3.84Å
269	Q	64.5	Low	59	Low	80 Å²	80	111.3 Å²	111.3	37%	0.374	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	152.6	179.5	-169.8	157.2	-49	0	0	111.4	L267 S274 R275 K276 L283	L267-Q269 PolarHBondContact O-N 3.08Å; L267-Q269 VanDerWaalsContact O-N 3.11Å; Q269-S274 PolarHBondContact NE2-OG 3.28Å; Q269-R275 CarbonylContact C-O 3.55Å; Q269-R275 WeakPolarHBondContact CA-O 3.49Å; Q269-K276 HydrophobicContact CB-CG 4.35Å; Q269-K276 HydrophobicContact CG-CG 4.36Å; Q269-L283 WeakPolarHBondContact O-CD2 3.32Å
270	C	73.3	Confident	59.6	Low	0 Å²	0	111.7 Å²	111.7	0%	0	54%	0.538	C	S	.	.			trans	-100.8	118	168	-173.2	0	0	0	0	110	Q272 C273 S274 R275 F277 L283 H290	C270-Q272 PolarHBondContact O-N 2.86Å; C270-Q272 VanDerWaalsContact O-N 3.08Å; C270-C273 PolarHBondContact O-N 3.24Å; C270-S274 WeakPolarHBondContact O-CA 3.45Å; C270-S274 PolarHBondContact O-N 3.06Å; C270-R275 PolarHBondContact N-O 3.4Å; C270-F277 HydrophobicContact CB-CE2 4.26Å; C270-L283 HydrophobicContact CB-CD1 3.56Å; C270-H290 VanDerWaalsContact SG-CD2 3.51Å; C270-H290 PolarHBondContact SG-NE2 2.93Å; C270-H290 VanDerWaalsContact SG-NE2 3.38Å
271	D	66.1	Low	60	Low	130 Å²	130	116 Å²	116	70%	0.695	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.1	-171.5	-35.4	-70.1	0	0	0	113.1
272	Q	60.9	Low	60.8	Low	111 Å²	111	112 Å²	112	52%	0.519	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.6	-177.3	-68.6	171.7	59.8	0	0	114.4	C270	C270-Q272 PolarHBondContact O-N 2.86Å; C270-Q272 VanDerWaalsContact O-N 3.08Å
273	C	66.1	Low	61.6	Low	51 Å²	51	102.5 Å²	102.5	35%	0.345	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.3	20.8	173.5	73.1	0	0	0	0	115.3	C270 R275 H286	C270-C273 PolarHBondContact O-N 3.24Å; C273-R275 PolarHBondContact O-N 2.83Å; C273-H286 VanDerWaalsContact SG-CE1 3.56Å; C273-H286 PolarHBondContact SG-NE2 3.34Å
274	S	62.6	Low	62.5	Low	79 Å²	79	104.8 Å²	104.8	55%	0.552	50%	0.495	S	S	*	.			trans	53.8	13.3	177.4	-60.1	0	0	0	0	117	Q269 C270	Q269-S274 PolarHBondContact NE2-OG 3.28Å; C270-S274 WeakPolarHBondContact O-CA 3.45Å; C270-S274 PolarHBondContact O-N 3.06Å
275	R	65	Low	63.1	Low	159 Å²	159	103.4 Å²	103.4	60%	0.6	48%	0.484	S	S	*	.			trans	-72	131.1	177.4	-74.9	-176.8	176.2	178.2	1.9	111.3	Q269 C270 C273 F277	Q269-R275 CarbonylContact C-O 3.55Å; Q269-R275 WeakPolarHBondContact CA-O 3.49Å; C270-R275 PolarHBondContact N-O 3.4Å; C273-R275 PolarHBondContact O-N 2.83Å; R275-F277 HydrophobicContact CB-CE2 3.51Å; R275-F277 HydrophobicContact CB-CZ 3.83Å; R275-F277 VanDerWaalsContact O-CD2 3.3Å; R275-F277 WeakPolarHBondContact O-CD2 3.39Å; R275-F277 VanDerWaalsContact O-CE2 3.26Å; R275-F277 WeakPolarHBondContact O-CE2 3.49Å
276	K	66.6	Low	63.7	Low	131 Å²	131	97.7 Å²	97.7	57%	0.57	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.2	-175.8	-69.6	-175.6	178	-176	0	111.6	L267 Q269	L267-K276 HydrophobicContact CB-CB 3.84Å; L267-K276 HydrophobicContact CB-CD 4.33Å; L267-K276 HydrophobicContact CB-CG 4.35Å; L267-K276 HydrophobicContact CD1-CB 4.02Å; L267-K276 HydrophobicContact CD1-CD 4.18Å; Q269-K276 HydrophobicContact CB-CG 4.35Å; Q269-K276 HydrophobicContact CG-CG 4.36Å
277	F	69.3	Low	64.3	Low	40 Å²	40	92.3 Å²	92.3	18%	0.175	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.8	-174.5	-63.6	-89.3	0	0	0	112.6	L268 C270 R275 Q282 L283 H286	L268-F277 PolarHBondContact N-O 3.33Å; L268-F277 PolarHBondContact O-N 3.33Å; C270-F277 HydrophobicContact CB-CE2 4.26Å; R275-F277 HydrophobicContact CB-CE2 3.51Å; R275-F277 HydrophobicContact CB-CZ 3.83Å; R275-F277 VanDerWaalsContact O-CD2 3.3Å; R275-F277 WeakPolarHBondContact O-CD2 3.39Å; R275-F277 VanDerWaalsContact O-CE2 3.26Å; R275-F277 WeakPolarHBondContact O-CE2 3.49Å; F277-Q282 HydrophobicContact CB-CB 4.3Å; F277-Q282 HydrophobicContact CD1-CB 3.87Å; F277-Q282 HydrophobicContact CG-CB 4.42Å; F277-L283 HydrophobicContact CB-CB 4.23Å; F277-L283 HydrophobicContact CD2-CB 4.34Å; F277-L283 HydrophobicContact CD2-CD1 3.89Å; F277-L283 HydrophobicContact CE2-CD1 4.28Å; F277-L283 HydrophobicContact CG-CB 4.39Å; F277-H286 HydrophobicContact CE1-CB 4.1Å; F277-H286 HydrophobicContact CE2-CB 4.18Å; F277-H286 AromaticContact CE2-CD2 3.15Å; F277-H286 WeakPolarHBondContact CE2-CD2 3.47Å; F277-H286 AromaticContact CE2-CG 3.82Å; F277-H286 AromaticContact CE2-NE2 3.89Å; F277-H286 HydrophobicContact CZ-CB 3.69Å; F277-H286 AromaticContact CZ-CD2 3.2Å; F277-H286 WeakPolarHBondContact CZ-CD2 3.48Å; F277-H286 AromaticContact CZ-CG 3.41Å; F277-H286 VanDerWaalsContact CZ-CG 3.41Å; F277-H286 AromaticContact CZ-NE2 3.9Å
278	R	59.4	Low	64.4	Low	209 Å²	209	91.4 Å²	91.4	79%	0.789	43%	0.431	S	S	*	.	S	Bend	trans	-90	-7.8	-177.6	-69	-178.3	177.8	-169.1	-4.2	114.5	L267	L267-R278 HydrophobicContact CD2-CG 3.57Å
279	L	63.3	Low	63.8	Low	88 Å²	88	91.3 Å²	91.3	46%	0.461	44%	0.436	S	S	.	.	S	Bend	trans	-146	135.8	-176.6	-68.4	174.1	0	0	0	110.5	R281 Q282 L283	L279-R281 PolarHBondContact O-N 2.77Å; L279-R281 VanDerWaalsContact O-N 3.14Å; L279-Q282 HydrophobicContact CB-CB 4.42Å; L279-Q282 HydrophobicContact CB-CG 4.05Å; L279-Q282 WeakPolarHBondContact O-CA 3.32Å; L279-Q282 WeakPolarHBondContact O-CB 3.46Å; L279-Q282 PolarHBondContact O-N 3.26Å; L279-L283 PolarHBondContact O-N 2.83Å; L279-L283 VanDerWaalsContact O-N 3.09Å
280	L	62.3	Low	63.8	Low	83 Å²	83	90.7 Å²	90.7	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-59	-29.9	178.5	-174	59.5	0	0	0	112.6	L268 L283 R284	L268-L280 HydrophobicContact CD1-CB 3.85Å; L268-L280 HydrophobicContact CD1-CD1 4.25Å; L280-L283 HydrophobicContact CD1-CD2 4.39Å; L280-L283 PolarHBondContact O-N 2.81Å; L280-R284 WeakPolarHBondContact O-CB 3.32Å; L280-R284 VanDerWaalsContact O-CG 3.3Å; L280-R284 WeakPolarHBondContact O-CG 3.24Å; L280-R284 PolarHBondContact O-N 3.41Å
281	R	57.7	Low	63.2	Low	211 Å²	211	100.8 Å²	100.8	80%	0.796	47%	0.472	S	S	*	.	H	α-helix	trans	-65	-36	171.9	-174.4	178.6	178.3	-135.7	-1.5	112.9	L279 V285	L279-R281 PolarHBondContact O-N 2.77Å; L279-R281 VanDerWaalsContact O-N 3.14Å; R281-V285 VanDerWaalsContact O-CG2 3.3Å; R281-V285 WeakPolarHBondContact O-CG2 3.17Å; R281-V285 PolarHBondContact O-N 3.04Å; R281-V285 VanDerWaalsContact O-N 3.15Å
282	Q	59.6	Low	62.4	Low	93 Å²	93	99 Å²	99	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-71.3	-44.7	176.3	-66.3	172	-14.5	0	0	110.3	F277 L279 V285 H286	F277-Q282 HydrophobicContact CB-CB 4.3Å; F277-Q282 HydrophobicContact CD1-CB 3.87Å; F277-Q282 HydrophobicContact CG-CB 4.42Å; L279-Q282 HydrophobicContact CB-CB 4.42Å; L279-Q282 HydrophobicContact CB-CG 4.05Å; L279-Q282 WeakPolarHBondContact O-CA 3.32Å; L279-Q282 WeakPolarHBondContact O-CB 3.46Å; L279-Q282 PolarHBondContact O-N 3.26Å; Q282-V285 PolarHBondContact O-N 3.38Å; Q282-H286 WeakPolarHBondContact O-CB 3.33Å; Q282-H286 PolarHBondContact O-N 2.9Å
283	L	67.8	Low	61.9	Low	11 Å²	11	103.4 Å²	103.4	6%	0.058	48%	0.482	C	S	.	.	H	α-helix	trans	-59.2	-47.4	174.4	177.8	58.8	0	0	0	111.3	L268 Q269 C270 F277 L279 L280 V285 H286 Q287	L268-L283 HydrophobicContact CB-CD2 3.84Å; Q269-L283 WeakPolarHBondContact O-CD2 3.32Å; C270-L283 HydrophobicContact CB-CD1 3.56Å; F277-L283 HydrophobicContact CB-CB 4.23Å; F277-L283 HydrophobicContact CD2-CB 4.34Å; F277-L283 HydrophobicContact CD2-CD1 3.89Å; F277-L283 HydrophobicContact CE2-CD1 4.28Å; F277-L283 HydrophobicContact CG-CB 4.39Å; L279-L283 PolarHBondContact O-N 2.83Å; L279-L283 VanDerWaalsContact O-N 3.09Å; L280-L283 HydrophobicContact CD1-CD2 4.39Å; L280-L283 PolarHBondContact O-N 2.81Å; L283-V285 PolarHBondContact O-N 3Å; L283-H286 CarbonylContact O-C 3.48Å; L283-H286 WeakPolarHBondContact O-CA 3.23Å; L283-H286 PolarHBondContact O-N 3.18Å; L283-Q287 HydrophobicContact CD1-CG 3.85Å; L283-Q287 HydrophobicContact CG-CG 4.19Å; L283-Q287 WeakPolarHBondContact O-CG 3.4Å; L283-Q287 PolarHBondContact O-N 2.76Å
284	R	63.5	Low	61.1	Low	160 Å²	160	108.3 Å²	108.3	60%	0.604	50%	0.498	S	S	*	.	H	α-helix	trans	-59.6	-41.7	177.1	-74.5	178.3	-170.1	178.5	4.2	113.3	L280 H286 Q287 A288	L280-R284 WeakPolarHBondContact O-CB 3.32Å; L280-R284 VanDerWaalsContact O-CG 3.3Å; L280-R284 WeakPolarHBondContact O-CG 3.24Å; L280-R284 PolarHBondContact O-N 3.41Å; R284-H286 PolarHBondContact O-N 2.95Å; R284-Q287 PolarHBondContact O-N 3.26Å; R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.43Å
285	V	61.8	Low	60.6	Low	102 Å²	102	110 Å²	110	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-30.6	176	168.5	0	0	0	0	111.6	R281 Q282 L283 S289	R281-V285 VanDerWaalsContact O-CG2 3.3Å; R281-V285 WeakPolarHBondContact O-CG2 3.17Å; R281-V285 PolarHBondContact O-N 3.04Å; R281-V285 VanDerWaalsContact O-N 3.15Å; Q282-V285 PolarHBondContact O-N 3.38Å; L283-V285 PolarHBondContact O-N 3Å; V285-S289 PolarHBondContact O-N 3.18Å
286	H	65.8	Low	60.2	Low	18 Å²	18	106.1 Å²	106.1	8%	0.083	50%	0.5	C	S	.	.	H	α-helix	trans	-82.8	-37.5	175.9	173.9	50.2	0	0	0	113.6	C273 F277 Q282 L283 R284 A288 S289 H290	C273-H286 VanDerWaalsContact SG-CE1 3.56Å; C273-H286 PolarHBondContact SG-NE2 3.34Å; F277-H286 HydrophobicContact CE1-CB 4.1Å; F277-H286 HydrophobicContact CE2-CB 4.18Å; F277-H286 AromaticContact CE2-CD2 3.15Å; F277-H286 WeakPolarHBondContact CE2-CD2 3.47Å; F277-H286 AromaticContact CE2-CG 3.82Å; F277-H286 AromaticContact CE2-NE2 3.89Å; F277-H286 HydrophobicContact CZ-CB 3.69Å; F277-H286 AromaticContact CZ-CD2 3.2Å; F277-H286 WeakPolarHBondContact CZ-CD2 3.48Å; F277-H286 AromaticContact CZ-CG 3.41Å; F277-H286 VanDerWaalsContact CZ-CG 3.41Å; F277-H286 AromaticContact CZ-NE2 3.9Å; Q282-H286 WeakPolarHBondContact O-CB 3.33Å; Q282-H286 PolarHBondContact O-N 2.9Å; L283-H286 CarbonylContact O-C 3.48Å; L283-H286 WeakPolarHBondContact O-CA 3.23Å; L283-H286 PolarHBondContact O-N 3.18Å; R284-H286 PolarHBondContact O-N 2.95Å; H286-A288 PolarHBondContact O-N 3.05Å; H286-S289 PolarHBondContact ND1-OG 2.76Å; H286-S289 VanDerWaalsContact ND1-OG 3.14Å; H286-S289 WeakPolarHBondContact O-CA 3.26Å; H286-S289 WeakPolarHBondContact O-CB 3.1Å; H286-S289 PolarHBondContact O-N 2.92Å; H286-S289 PolarHBondContact O-OG 2.92Å; H286-H290 AromaticContact CD2-NE2 3.98Å; H286-H290 AromaticContact CE1-CE1 3.48Å; H286-H290 PolarHBondContact CE1-CE1 3.19Å; H286-H290 VanDerWaalsContact CE1-CE1 3.48Å; H286-H290 AromaticContact CE1-NE2 3.22Å; H286-H290 PolarHBondContact CE1-NE2 3.4Å; H286-H290 AromaticContact NE2-CE1 3.87Å; H286-H290 AromaticContact NE2-NE2 3.21Å; H286-H290 PolarHBondContact NE2-NE2 3.35Å; H286-H290 PolarHBondContact O-N 2.6Å
287	Q	64.7	Low	59.9	Low	53 Å²	53	102.7 Å²	102.7	25%	0.248	49%	0.488	C	S	.	.	H	α-helix	trans	-61.7	-33.9	168.9	-75.1	168.9	-33.6	0	0	110.4	L283 R284 S289 H290 R291	L283-Q287 HydrophobicContact CD1-CG 3.85Å; L283-Q287 HydrophobicContact CG-CG 4.19Å; L283-Q287 WeakPolarHBondContact O-CG 3.4Å; L283-Q287 PolarHBondContact O-N 2.76Å; R284-Q287 PolarHBondContact O-N 3.26Å; Q287-S289 PolarHBondContact O-N 3.06Å; Q287-H290 PolarHBondContact O-N 3.09Å; Q287-R291 WeakPolarHBondContact O-CB 3.29Å; Q287-R291 PolarHBondContact O-N 2.86Å
288	A	62	Low	59.2	Low	43 Å²	43	105.9 Å²	105.9	36%	0.355	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.2	168.9	0	0	0	0	0	114.3	R284 H286 H290 L292	R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.43Å; H286-A288 PolarHBondContact O-N 3.05Å; A288-H290 VanDerWaalsContact C-N 3.33Å; A288-L292 WeakPolarHBondContact O-CB 3.23Å; A288-L292 VanDerWaalsContact O-CD1 3.24Å; A288-L292 WeakPolarHBondContact O-CD1 3.38Å; A288-L292 WeakPolarHBondContact O-CG 3.36Å
289	S	57.8	Low	59.5	Low	65 Å²	65	96.1 Å²	96.1	46%	0.455	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.2	166.4	61.3	0	0	0	0	113.9	V285 H286 Q287	V285-S289 PolarHBondContact O-N 3.18Å; H286-S289 PolarHBondContact ND1-OG 2.76Å; H286-S289 VanDerWaalsContact ND1-OG 3.14Å; H286-S289 WeakPolarHBondContact O-CA 3.26Å; H286-S289 WeakPolarHBondContact O-CB 3.1Å; H286-S289 PolarHBondContact O-N 2.92Å; H286-S289 PolarHBondContact O-OG 2.92Å; Q287-S289 PolarHBondContact O-N 3.06Å
290	H	63.5	Low	59.5	Low	68 Å²	68	100.8 Å²	100.8	32%	0.315	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-37.7	170.2	-51.2	-56.3	0	0	0	112.4	C270 H286 Q287 A288 L292	C270-H290 VanDerWaalsContact SG-CD2 3.51Å; C270-H290 PolarHBondContact SG-NE2 2.93Å; C270-H290 VanDerWaalsContact SG-NE2 3.38Å; H286-H290 AromaticContact CD2-NE2 3.98Å; H286-H290 AromaticContact CE1-CE1 3.48Å; H286-H290 PolarHBondContact CE1-CE1 3.19Å; H286-H290 VanDerWaalsContact CE1-CE1 3.48Å; H286-H290 AromaticContact CE1-NE2 3.22Å; H286-H290 PolarHBondContact CE1-NE2 3.4Å; H286-H290 AromaticContact NE2-CE1 3.87Å; H286-H290 AromaticContact NE2-NE2 3.21Å; H286-H290 PolarHBondContact NE2-NE2 3.35Å; H286-H290 PolarHBondContact O-N 2.6Å; Q287-H290 PolarHBondContact O-N 3.09Å; A288-H290 VanDerWaalsContact C-N 3.33Å; H290-L292 VanDerWaalsContact C-N 3.31Å; H290-L292 PolarHBondContact O-N 3.18Å
291	R	61.9	Low	59.5	Low	211 Å²	211	100.2 Å²	100.2	80%	0.796	49%	0.493	S	S	*	.	S	Bend	trans	-87	22.2	-176.8	-99.6	-171.8	177.6	-178.9	0.8	115.1	Q287	Q287-R291 WeakPolarHBondContact O-CB 3.29Å; Q287-R291 PolarHBondContact O-N 2.86Å
292	L	49.7	Very low	59.8	Low	93 Å²	93	92.3 Å²	92.3	49%	0.487	47%	0.47	S	S	.	.			trans	-124.2	97.3	178	-74.3	-178.8	0	0	0	111.7	A288 H290 K294	A288-L292 WeakPolarHBondContact O-CB 3.23Å; A288-L292 VanDerWaalsContact O-CD1 3.24Å; A288-L292 WeakPolarHBondContact O-CD1 3.38Å; A288-L292 WeakPolarHBondContact O-CG 3.36Å; H290-L292 VanDerWaalsContact C-N 3.31Å; H290-L292 PolarHBondContact O-N 3.18Å; L292-K294 HydrophobicContact CB-CB 4.36Å; L292-K294 HydrophobicContact CD1-CD 4.34Å; L292-K294 HydrophobicContact CD2-CD 4.08Å; L292-K294 HydrophobicContact CD2-CG 4.16Å; L292-K294 PolarHBondContact O-N 2.95Å
293	E	49.8	Very low	59.8	Low	204 Å²	204	94.1 Å²	94.1	95%	0.953	48%	0.482	S	S	*	.			trans	-63.4	69.2	139.2	-66.3	-176.9	149	0	0	109.1
294	K	49.4	Very low	59.4	Low	153 Å²	153	101 Å²	101	67%	0.665	51%	0.508	S	S	*	.	S	Bend	trans	-116.9	123.7	154.3	-75.9	-174.9	178.9	-178.6	0	105.1	L292 P296	L292-K294 HydrophobicContact CB-CB 4.36Å; L292-K294 HydrophobicContact CD1-CD 4.34Å; L292-K294 HydrophobicContact CD2-CD 4.08Å; L292-K294 HydrophobicContact CD2-CG 4.16Å; L292-K294 PolarHBondContact O-N 2.95Å; K294-P296 VanDerWaalsContact O-N 3.13Å
295	T	51.1	Low	59.1	Low	115 Å²	115	97.7 Å²	97.7	71%	0.706	51%	0.505	S	S	*	.			trans	-34.7	118.4	180	38.6	0	0	0	0	110.1	L297	T295-L297 PolarHBondContact O-N 3.18Å
296	P	56.8	Low	59.5	Low	78 Å²	78	95.1 Å²	95.1	51%	0.506	49%	0.486	S	S	.	.			trans	-50.7	123.6	174.1	-26.3	34.8	0	0	0	107.6	K294 E298 T305	K294-P296 VanDerWaalsContact O-N 3.13Å; P296-E298 HydrophobicContact CB-CG 4.11Å; P296-E298 PolarHBondContact O-N 3.4Å; P296-T305 HydrophobicContact CB-CG2 3.75Å
297	L	61.4	Low	59.5	Low	59 Å²	59	100.7 Å²	100.7	31%	0.309	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	81.7	-176.2	-70.3	173.9	0	0	0	107.4	T295 F306 A309 L312	T295-L297 PolarHBondContact O-N 3.18Å; L297-F306 WeakPolarHBondContact CB-O 3.46Å; L297-F306 PolarHBondContact N-O 3.09Å; L297-F306 WeakPolarHBondContact O-CD2 3.23Å; L297-F306 PolarHBondContact O-N 3.47Å; L297-A309 HydrophobicContact CD1-CB 3.68Å; L297-A309 VanDerWaalsContact CD1-N 3.33Å; L297-L312 HydrophobicContact CB-CB 4.29Å; L297-L312 HydrophobicContact CB-CD2 3.78Å
298	E	54.5	Low	59.7	Low	107 Å²	107	100.7 Å²	100.7	50%	0.5	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.6	-174.8	-79.1	165	-168.2	0	0	110.8	P296 H300 R304 T305	P296-E298 HydrophobicContact CB-CG 4.11Å; P296-E298 PolarHBondContact O-N 3.4Å; E298-H300 PolarHBondContact O-N 3.46Å; E298-R304 WeakPolarHBondContact CA-O 3.41Å; E298-T305 HydrophobicContact CG-CG2 3.56Å; E298-T305 WeakPolarHBondContact OE1-CG2 3.37Å
299	C	64.1	Low	59.9	Low	4 Å²	4	100.5 Å²	100.5	3%	0.027	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	101.7	173.7	-161.9	0	0	0	0	109.4	A301 C302 D303 R304 F306 L312 H319	C299-A301 PolarHBondContact O-N 3.04Å; C299-C302 CarbonylContact O-C 3.54Å; C299-C302 PolarHBondContact O-N 3.22Å; C299-D303 PolarHBondContact O-N 3.07Å; C299-R304 PolarHBondContact N-O 2.83Å; C299-F306 HydrophobicContact CB-CE2 4.38Å; C299-L312 HydrophobicContact CB-CD1 3.59Å; C299-H319 PolarHBondContact SG-CD2 2.91Å; C299-H319 PolarHBondContact SG-NE2 3.12Å; C299-H319 VanDerWaalsContact SG-NE2 3.42Å
300	H	63.3	Low	60.3	Low	186 Å²	186	100.1 Å²	100.1	86%	0.861	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-12.2	-179.5	-161.3	-24.1	0	0	0	115.2	E298	E298-H300 PolarHBondContact O-N 3.46Å
301	A	63.2	Low	60.4	Low	70 Å²	70	98.4 Å²	98.4	58%	0.579	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-8	176.1	0	0	0	0	0	115.2	C299 H319	C299-A301 PolarHBondContact O-N 3.04Å; A301-H319 HydrophobicContact CB-CB 4.3Å
302	C	64.9	Low	60.8	Low	46 Å²	46	89.1 Å²	89.1	31%	0.311	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-163.7	23.1	173.1	78.2	0	0	0	0	115.4	C299 R304 H315 H319	C299-C302 CarbonylContact O-C 3.54Å; C299-C302 PolarHBondContact O-N 3.22Å; C302-R304 PolarHBondContact O-N 2.83Å; C302-H315 PolarHBondContact SG-NE2 3.13Å; C302-H319 PolarHBondContact SG-CE1 3.28Å; C302-H319 PolarHBondContact SG-NE2 3.46Å
303	D	58.4	Low	61.6	Low	130 Å²	130	91.6 Å²	91.6	70%	0.695	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	30.6	169.2	-43.2	-38.1	0	0	0	115.6	C299	C299-D303 PolarHBondContact O-N 3.07Å
304	R	60.2	Low	62.4	Low	157 Å²	157	84.2 Å²	84.2	59%	0.592	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.5	176.3	-77.8	-178.6	176.7	173.7	1.5	110.8	E298 C299 C302 F306	E298-R304 WeakPolarHBondContact CA-O 3.41Å; C299-R304 PolarHBondContact N-O 2.83Å; C302-R304 PolarHBondContact O-N 2.83Å; R304-F306 HydrophobicContact CB-CE2 3.58Å; R304-F306 HydrophobicContact CB-CZ 4.02Å; R304-F306 WeakPolarHBondContact O-CD2 3.22Å; R304-F306 WeakPolarHBondContact O-CE2 3.35Å
305	T	56.2	Low	63.4	Low	90 Å²	90	77.7 Å²	77.7	55%	0.552	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.8	175	52.7	0	0	0	0	111.8	P296 E298	P296-T305 HydrophobicContact CB-CG2 3.75Å; E298-T305 HydrophobicContact CG-CG2 3.56Å; E298-T305 WeakPolarHBondContact OE1-CG2 3.37Å
306	F	70.7	Confident	64.1	Low	48 Å²	48	76.1 Å²	76.1	21%	0.211	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.7	175.7	-67.7	-89.6	0	0	0	112.5	L297 C299 R304 S308 A311 L312 H315	L297-F306 WeakPolarHBondContact CB-O 3.46Å; L297-F306 PolarHBondContact N-O 3.09Å; L297-F306 WeakPolarHBondContact O-CD2 3.23Å; L297-F306 PolarHBondContact O-N 3.47Å; C299-F306 HydrophobicContact CB-CE2 4.38Å; R304-F306 HydrophobicContact CB-CE2 3.58Å; R304-F306 HydrophobicContact CB-CZ 4.02Å; R304-F306 WeakPolarHBondContact O-CD2 3.22Å; R304-F306 WeakPolarHBondContact O-CE2 3.35Å; F306-S308 PolarHBondContact O-N 3.13Å; F306-A311 HydrophobicContact CB-CB 4.37Å; F306-A311 HydrophobicContact CD1-CB 3.81Å; F306-A311 HydrophobicContact CG-CB 4.44Å; F306-L312 HydrophobicContact CB-CB 4.08Å; F306-L312 HydrophobicContact CD2-CB 4.24Å; F306-L312 HydrophobicContact CD2-CD1 3.86Å; F306-L312 HydrophobicContact CE2-CD1 4.3Å; F306-L312 HydrophobicContact CG-CB 4.25Å; F306-H315 HydrophobicContact CE1-CB 4.16Å; F306-H315 HydrophobicContact CE2-CB 4.22Å; F306-H315 AromaticContact CE2-CD2 3.13Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.27Å; F306-H315 AromaticContact CE2-CG 3.84Å; F306-H315 AromaticContact CE2-NE2 3.85Å; F306-H315 HydrophobicContact CZ-CB 3.73Å; F306-H315 AromaticContact CZ-CD2 3.21Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.33Å; F306-H315 AromaticContact CZ-CG 3.45Å; F306-H315 VanDerWaalsContact CZ-CG 3.45Å; F306-H315 AromaticContact CZ-NE2 3.89Å
307	T	66.2	Low	64.6	Low	135 Å²	135	74.6 Å²	74.6	83%	0.828	41%	0.409	S	S	*	.	S	Bend	trans	-77	5.4	177.7	55.1	0	0	0	0	114.3
308	S	68	Low	64.5	Low	53 Å²	53	74.9 Å²	74.9	37%	0.371	42%	0.417	S	S	.	.	S	Bend	trans	-160.1	142	173	63.8	0	0	0	0	112.9	F306 A310 A311 L312	F306-S308 PolarHBondContact O-N 3.13Å; S308-A310 PolarHBondContact O-N 2.9Å; S308-A311 WeakPolarHBondContact O-CA 3.43Å; S308-A311 WeakPolarHBondContact O-CB 3.38Å; S308-A311 PolarHBondContact O-N 3.21Å; S308-A311 WeakPolarHBondContact OG-CB 3.48Å; S308-A311 PolarHBondContact OG-N 3.49Å; S308-L312 PolarHBondContact O-N 2.97Å
309	A	67.1	Low	65	Low	38 Å²	38	73.5 Å²	73.5	31%	0.314	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-23.9	179.1	0	0	0	0	0	113.5	L297 R313	L297-A309 HydrophobicContact CD1-CB 3.68Å; L297-A309 VanDerWaalsContact CD1-N 3.33Å; A309-R313 WeakPolarHBondContact O-CB 3.48Å; A309-R313 WeakPolarHBondContact O-CG 3.21Å; A309-R313 PolarHBondContact O-N 2.83Å; A309-R313 PolarHBondContact O-NE 3.34Å
310	A	66.3	Low	64.8	Low	57 Å²	57	75.4 Å²	75.4	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-71.3	-30.7	172.1	0	0	0	0	0	112.5	S308 S314	S308-A310 PolarHBondContact O-N 2.9Å; A310-S314 VanDerWaalsContact O-CB 3.26Å; A310-S314 WeakPolarHBondContact O-CB 3.49Å; A310-S314 PolarHBondContact O-N 2.87Å; A310-S314 PolarHBondContact O-OG 2.98Å
311	A	65.9	Low	64.4	Low	33 Å²	33	76.4 Å²	76.4	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-77.2	-43.7	174.4	0	0	0	0	0	111.6	F306 S308 S314 H315	F306-A311 HydrophobicContact CB-CB 4.37Å; F306-A311 HydrophobicContact CD1-CB 3.81Å; F306-A311 HydrophobicContact CG-CB 4.44Å; S308-A311 WeakPolarHBondContact O-CA 3.43Å; S308-A311 WeakPolarHBondContact O-CB 3.38Å; S308-A311 PolarHBondContact O-N 3.21Å; S308-A311 WeakPolarHBondContact OG-CB 3.48Å; S308-A311 PolarHBondContact OG-N 3.49Å; A311-S314 CarbonylContact O-C 3.48Å; A311-S314 WeakPolarHBondContact O-CA 3.38Å; A311-S314 WeakPolarHBondContact O-CB 3.31Å; A311-S314 PolarHBondContact O-N 3.4Å; A311-S314 VanDerWaalsContact O-N 3.13Å; A311-H315 PolarHBondContact O-N 3.39Å
312	L	69.7	Low	64.2	Low	15 Å²	15	78.3 Å²	78.3	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-56.8	-54	173.5	176.2	60.5	0	0	0	110.9	L297 C299 F306 S308 S314 H315 E316	L297-L312 HydrophobicContact CB-CB 4.29Å; L297-L312 HydrophobicContact CB-CD2 3.78Å; C299-L312 HydrophobicContact CB-CD1 3.59Å; F306-L312 HydrophobicContact CB-CB 4.08Å; F306-L312 HydrophobicContact CD2-CB 4.24Å; F306-L312 HydrophobicContact CD2-CD1 3.86Å; F306-L312 HydrophobicContact CE2-CD1 4.3Å; F306-L312 HydrophobicContact CG-CB 4.25Å; S308-L312 PolarHBondContact O-N 2.97Å; L312-S314 PolarHBondContact O-N 3.15Å; L312-S314 VanDerWaalsContact O-N 3.14Å; L312-H315 CarbonylContact O-C 3.46Å; L312-H315 WeakPolarHBondContact O-CA 3.4Å; L312-H315 WeakPolarHBondContact O-CB 3.49Å; L312-H315 PolarHBondContact O-N 3.28Å; L312-E316 HydrophobicContact CD1-CG 3.85Å; L312-E316 WeakPolarHBondContact CD2-OE1 3.12Å; L312-E316 HydrophobicContact CG-CG 4.04Å; L312-E316 WeakPolarHBondContact CG-OE1 3.47Å; L312-E316 WeakPolarHBondContact O-CG 3.44Å; L312-E316 PolarHBondContact O-N 3.13Å
313	R	67.5	Low	64.3	Low	146 Å²	146	81.4 Å²	81.4	55%	0.551	44%	0.44	S	S	*	.	H	α-helix	trans	-57.5	-31.7	175.2	-71.2	-173.8	-63	-97.8	5.2	114	A309 H315 E316 V317	A309-R313 WeakPolarHBondContact O-CB 3.48Å; A309-R313 WeakPolarHBondContact O-CG 3.21Å; A309-R313 PolarHBondContact O-N 2.83Å; A309-R313 PolarHBondContact O-NE 3.34Å; R313-H315 PolarHBondContact O-N 2.93Å; R313-E316 WeakPolarHBondContact CA-OE2 3.25Å; R313-E316 WeakPolarHBondContact CG-OE2 3.1Å; R313-V317 VanDerWaalsContact O-CG2 3.27Å; R313-V317 WeakPolarHBondContact O-CG2 3.43Å; R313-V317 PolarHBondContact O-N 3.49Å
314	S	65.2	Low	64.9	Low	48 Å²	48	78.8 Å²	78.8	34%	0.336	43%	0.43	S	S	.	.	H	α-helix	trans	-77.2	3	174.5	-62.3	0	0	0	0	114.3	A310 A311 L312 R336	A310-S314 VanDerWaalsContact O-CB 3.26Å; A310-S314 WeakPolarHBondContact O-CB 3.49Å; A310-S314 PolarHBondContact O-N 2.87Å; A310-S314 PolarHBondContact O-OG 2.98Å; A311-S314 CarbonylContact O-C 3.48Å; A311-S314 WeakPolarHBondContact O-CA 3.38Å; A311-S314 WeakPolarHBondContact O-CB 3.31Å; A311-S314 PolarHBondContact O-N 3.4Å; A311-S314 VanDerWaalsContact O-N 3.13Å; L312-S314 PolarHBondContact O-N 3.15Å; L312-S314 VanDerWaalsContact O-N 3.14Å; S314-R336 PolarHBondContact O-NH2 3.28Å
315	H	70.8	Confident	65.5	Low	17 Å²	17	74.6 Å²	74.6	8%	0.079	42%	0.416	C	S	.	.	H	α-helix	trans	-126.3	-32.5	179.2	170.1	55.4	0	0	0	112.5	C302 F306 A311 L312 R313 V317 S318 H319	C302-H315 PolarHBondContact SG-NE2 3.13Å; F306-H315 HydrophobicContact CE1-CB 4.16Å; F306-H315 HydrophobicContact CE2-CB 4.22Å; F306-H315 AromaticContact CE2-CD2 3.13Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.27Å; F306-H315 AromaticContact CE2-CG 3.84Å; F306-H315 AromaticContact CE2-NE2 3.85Å; F306-H315 HydrophobicContact CZ-CB 3.73Å; F306-H315 AromaticContact CZ-CD2 3.21Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.33Å; F306-H315 AromaticContact CZ-CG 3.45Å; F306-H315 VanDerWaalsContact CZ-CG 3.45Å; F306-H315 AromaticContact CZ-NE2 3.89Å; A311-H315 PolarHBondContact O-N 3.39Å; L312-H315 CarbonylContact O-C 3.46Å; L312-H315 WeakPolarHBondContact O-CA 3.4Å; L312-H315 WeakPolarHBondContact O-CB 3.49Å; L312-H315 PolarHBondContact O-N 3.28Å; R313-H315 PolarHBondContact O-N 2.93Å; H315-V317 PolarHBondContact O-N 3.12Å; H315-S318 PolarHBondContact ND1-OG 2.94Å; H315-S318 WeakPolarHBondContact O-CA 3.47Å; H315-S318 WeakPolarHBondContact O-CB 3.5Å; H315-S318 PolarHBondContact O-N 3.12Å; H315-S318 PolarHBondContact O-OG 3.21Å; H315-H319 AromaticContact CD2-NE2 3.98Å; H315-H319 AromaticContact CE1-CE1 3.74Å; H315-H319 AromaticContact CE1-NE2 3.23Å; H315-H319 PolarHBondContact CE1-NE2 3.49Å; H315-H319 AromaticContact NE2-NE2 3.17Å; H315-H319 PolarHBondContact NE2-NE2 3.04Å; H315-H319 VanDerWaalsContact NE2-NE2 3.17Å; H315-H319 PolarHBondContact O-N 3.43Å
316	E	65.7	Low	66.4	Low	81 Å²	81	75.6 Å²	75.6	38%	0.379	42%	0.416	S	S	.	.	H	α-helix	trans	-55.3	-40.5	164.7	-67.7	165.1	152.7	0	0	110.5	L312 R313 S318 H319 A320	L312-E316 HydrophobicContact CD1-CG 3.85Å; L312-E316 WeakPolarHBondContact CD2-OE1 3.12Å; L312-E316 HydrophobicContact CG-CG 4.04Å; L312-E316 WeakPolarHBondContact CG-OE1 3.47Å; L312-E316 WeakPolarHBondContact O-CG 3.44Å; L312-E316 PolarHBondContact O-N 3.13Å; R313-E316 WeakPolarHBondContact CA-OE2 3.25Å; R313-E316 WeakPolarHBondContact CG-OE2 3.1Å; E316-S318 PolarHBondContact O-N 3.49Å; E316-H319 PolarHBondContact O-N 3.21Å; E316-A320 PolarHBondContact O-N 3.49Å
317	V	66.6	Low	66.9	Low	46 Å²	46	73.4 Å²	73.4	28%	0.279	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-1	171.3	176.9	0	0	0	0	113.5	R313 H315 P324 T335	R313-V317 VanDerWaalsContact O-CG2 3.27Å; R313-V317 WeakPolarHBondContact O-CG2 3.43Å; R313-V317 PolarHBondContact O-N 3.49Å; H315-V317 PolarHBondContact O-N 3.12Å; V317-P324 HydrophobicContact CG1-CG 4.01Å; V317-T335 HydrophobicContact CG1-CG2 4.45Å; V317-T335 WeakPolarHBondContact O-CG2 3.4Å
318	S	60.2	Low	67.2	Low	66 Å²	66	73.5 Å²	73.5	46%	0.462	40%	0.402	S	S	.	.	H	α-helix	trans	-98.9	-13.8	165.9	63.5	0	0	0	0	114.7	H315 E316	H315-S318 PolarHBondContact ND1-OG 2.94Å; H315-S318 WeakPolarHBondContact O-CA 3.47Å; H315-S318 WeakPolarHBondContact O-CB 3.5Å; H315-S318 PolarHBondContact O-N 3.12Å; H315-S318 PolarHBondContact O-OG 3.21Å; E316-S318 PolarHBondContact O-N 3.49Å
319	H	64.4	Low	67.5	Low	77 Å²	77	75.6 Å²	75.6	36%	0.356	41%	0.413	S	S	.	.	H	α-helix	trans	-91.3	-37.6	169.5	-61	-58.5	0	0	0	111.7	C299 A301 C302 H315 E316 K321	C299-H319 PolarHBondContact SG-CD2 2.91Å; C299-H319 PolarHBondContact SG-NE2 3.12Å; C299-H319 VanDerWaalsContact SG-NE2 3.42Å; A301-H319 HydrophobicContact CB-CB 4.3Å; C302-H319 PolarHBondContact SG-CE1 3.28Å; C302-H319 PolarHBondContact SG-NE2 3.46Å; H315-H319 AromaticContact CD2-NE2 3.98Å; H315-H319 AromaticContact CE1-CE1 3.74Å; H315-H319 AromaticContact CE1-NE2 3.23Å; H315-H319 PolarHBondContact CE1-NE2 3.49Å; H315-H319 AromaticContact NE2-NE2 3.17Å; H315-H319 PolarHBondContact NE2-NE2 3.04Å; H315-H319 VanDerWaalsContact NE2-NE2 3.17Å; H315-H319 PolarHBondContact O-N 3.43Å; E316-H319 PolarHBondContact O-N 3.21Å; H319-K321 PolarHBondContact O-N 2.74Å
320	A	60.2	Low	67.9	Low	45 Å²	45	76.1 Å²	76.1	37%	0.372	41%	0.413	S	S	.	.	S	Bend	trans	-58.6	124.2	169.1	0	0	0	0	0	110.4	E316 V322	E316-A320 PolarHBondContact O-N 3.49Å; A320-V322 PolarHBondContact O-N 3.18Å; A320-V322 VanDerWaalsContact O-N 3.11Å
321	K	55.3	Low	68.2	Low	207 Å²	207	75.5 Å²	75.5	90%	0.9	41%	0.413	S	S	*	.	S	Bend	trans	-58.7	-22	171.3	-73.9	178.1	179.1	174.2	0	112.1	H319 K323	H319-K321 PolarHBondContact O-N 2.74Å; K321-K323 PolarHBondContact O-N 3.22Å; K321-K323 VanDerWaalsContact O-N 3.13Å
322	V	57.9	Low	68.6	Low	109 Å²	109	79.9 Å²	79.9	66%	0.661	43%	0.426	S	S	*	.			trans	-71	97.5	173.7	-172.4	0	0	0	0	110.8	A320 P324	A320-V322 PolarHBondContact O-N 3.18Å; A320-V322 VanDerWaalsContact O-N 3.11Å; V322-P324 VanDerWaalsContact O-CD 3.31Å; V322-P324 WeakPolarHBondContact O-CD 3.36Å
323	K	67.9	Low	68.8	Low	111 Å²	111	80.9 Å²	80.9	48%	0.483	43%	0.434	S	S	.	.			trans	-92.1	102	172.2	-65.6	174	-167.2	166.2	0	108.6	K321 F325 S333 F334 T335	K321-K323 PolarHBondContact O-N 3.22Å; K321-K323 VanDerWaalsContact O-N 3.13Å; K323-F325 PolarHBondContact O-N 2.99Å; K323-S333 VanDerWaalsContact CD-O 3.27Å; K323-S333 WeakPolarHBondContact CD-O 3.42Å; K323-F334 CarbonylContact C-O 3.59Å; K323-T335 HydrophobicContact CG-CG2 4.2Å
324	P	70.3	Confident	69.3	Low	75 Å²	75	76.3 Å²	76.3	49%	0.487	42%	0.418	S	S	.	.	S	Bend	trans	-72.2	-10.4	-160	-21.2	34.9	0	0	0	115.9	V317 V322	V317-P324 HydrophobicContact CG1-CG 4.01Å; V322-P324 VanDerWaalsContact O-CD 3.31Å; V322-P324 WeakPolarHBondContact O-CD 3.36Å
325	F	74.4	Confident	69.6	Low	69 Å²	69	76.1 Å²	76.1	30%	0.303	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	80.9	-174.2	-56.8	-75.7	0	0	0	110.2	K323 S333 F334 R336 K337 L340	K323-F325 PolarHBondContact O-N 2.99Å; F325-S333 WeakPolarHBondContact O-CA 3.38Å; F325-F334 HydrophobicContact CB-CB 4.36Å; F325-F334 WeakPolarHBondContact CB-O 3.38Å; F325-F334 PolarHBondContact N-O 2.99Å; F325-F334 VanDerWaalsContact N-O 3.08Å; F325-F334 PolarHBondContact O-N 3.11Å; F325-R336 VanDerWaalsContact CD2-C 3.48Å; F325-K337 HydrophobicContact CD1-CB 3.82Å; F325-K337 HydrophobicContact CD1-CG 4.24Å; F325-K337 VanDerWaalsContact CD2-N 3.35Å; F325-K337 HydrophobicContact CE1-CB 3.7Å; F325-K337 HydrophobicContact CE1-CD 4.37Å; F325-K337 HydrophobicContact CE1-CG 4.25Å; F325-K337 HydrophobicContact CE2-CB 4.49Å; F325-K337 HydrophobicContact CG-CB 4.29Å; F325-K337 HydrophobicContact CZ-CB 4.05Å; F325-L340 HydrophobicContact CB-CB 4Å; F325-L340 HydrophobicContact CB-CD2 3.86Å
326	M	74.3	Confident	69.9	Low	112 Å²	112	81.3 Å²	81.3	55%	0.552	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	150.8	174.4	-168.6	173.6	-67.1	0	0	111.8	S333 L340	M326-S333 WeakPolarHBondContact CG-OG 3.35Å; M326-L340 WeakPolarHBondContact O-CD1 3.49Å; M326-L340 WeakPolarHBondContact O-CD2 3.5Å
327	C	80.3	Confident	70.4	Confident	1 Å²	1	83.6 Å²	83.6	1%	0.007	44%	0.443	C	S	.	.			trans	-101.6	114.8	169.4	-169.9	0	0	0	0	110.9	V329 C330 G331 K332 F334 L340	C327-V329 PolarHBondContact O-N 2.89Å; C327-C330 PolarHBondContact O-N 2.85Å; C327-C330 VanDerWaalsContact O-N 3.09Å; C327-G331 PolarHBondContact O-N 3.2Å; C327-K332 VanDerWaalsContact CB-O 3.32Å; C327-K332 WeakPolarHBondContact CB-O 3.34Å; C327-K332 PolarHBondContact N-O 3.23Å; C327-F334 HydrophobicContact CB-CE2 4.45Å; C327-L340 HydrophobicContact CB-CD1 3.51Å
328	D	73.7	Confident	71	Confident	138 Å²	138	89.2 Å²	89.2	74%	0.738	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.1	-172.3	-32	-79.4	0	0	0	113.2
329	V	74.8	Confident	71.9	Confident	97 Å²	97	88.3 Å²	88.3	59%	0.588	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-16.5	-176.8	-175.1	0	0	0	0	113.1	C327 H347	C327-V329 PolarHBondContact O-N 2.89Å; V329-H347 HydrophobicContact CB-CB 4.49Å; V329-H347 HydrophobicContact CG1-CB 4.08Å
330	C	74.1	Confident	72.7	Confident	48 Å²	48	85.5 Å²	85.5	32%	0.324	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	16.5	-178.4	73.2	0	0	0	0	116.7	C327 K332 H343 H347	C327-C330 PolarHBondContact O-N 2.85Å; C327-C330 VanDerWaalsContact O-N 3.09Å; C330-K332 PolarHBondContact O-N 2.76Å; C330-H343 PolarHBondContact SG-NE2 3.13Å; C330-H347 WeakPolarHBondContact CB-NE2 3.27Å; C330-H347 PolarHBondContact SG-NE2 3.41Å
331	G	73.9	Confident	73.6	Confident	45 Å²	45	87.9 Å²	87.9	46%	0.464	45%	0.448	S	S	.	.			trans	67.1	-7.5	178.3	0	0	0	0	0	116	C327 S333	C327-G331 PolarHBondContact O-N 3.2Å; G331-S333 PolarHBondContact O-N 3.09Å; G331-S333 PolarHBondContact O-OG 3.3Å
332	K	73.2	Confident	74.8	Confident	124 Å²	124	81.9 Å²	81.9	54%	0.539	42%	0.423	S	S	.	.			trans	-67.1	118.3	-176.2	-74.1	176.8	-175.9	167.5	0	110.7	C327 C330 F334	C327-K332 VanDerWaalsContact CB-O 3.32Å; C327-K332 WeakPolarHBondContact CB-O 3.34Å; C327-K332 PolarHBondContact N-O 3.23Å; C330-K332 PolarHBondContact O-N 2.76Å; K332-F334 HydrophobicContact CB-CE2 4Å; K332-F334 HydrophobicContact CB-CZ 4.19Å; K332-F334 WeakPolarHBondContact O-CD2 3.48Å; K332-F334 WeakPolarHBondContact O-CE2 3.47Å
333	S	74.3	Confident	75.9	Confident	37 Å²	37	78 Å²	78	26%	0.259	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.2	-174	-59.5	0	0	0	0	112.5	K323 F325 M326 G331	K323-S333 VanDerWaalsContact CD-O 3.27Å; K323-S333 WeakPolarHBondContact CD-O 3.42Å; F325-S333 WeakPolarHBondContact O-CA 3.38Å; M326-S333 WeakPolarHBondContact CG-OG 3.35Å; G331-S333 PolarHBondContact O-N 3.09Å; G331-S333 PolarHBondContact O-OG 3.3Å
334	F	78.8	Confident	76.4	Confident	49 Å²	49	75.9 Å²	75.9	22%	0.215	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.9	-172.9	-61.1	-88.8	0	0	0	111.5	K323 F325 C327 K332 R336 L340 H343	K323-F334 CarbonylContact C-O 3.59Å; F325-F334 HydrophobicContact CB-CB 4.36Å; F325-F334 WeakPolarHBondContact CB-O 3.38Å; F325-F334 PolarHBondContact N-O 2.99Å; F325-F334 VanDerWaalsContact N-O 3.08Å; F325-F334 PolarHBondContact O-N 3.11Å; C327-F334 HydrophobicContact CB-CE2 4.45Å; K332-F334 HydrophobicContact CB-CE2 4Å; K332-F334 HydrophobicContact CB-CZ 4.19Å; K332-F334 WeakPolarHBondContact O-CD2 3.48Å; K332-F334 WeakPolarHBondContact O-CE2 3.47Å; F334-R336 VanDerWaalsContact C-N 3.31Å; F334-L340 HydrophobicContact CB-CB 4.42Å; F334-L340 HydrophobicContact CD2-CB 4.06Å; F334-L340 HydrophobicContact CD2-CD1 4.03Å; F334-L340 HydrophobicContact CE2-CD1 4.3Å; F334-L340 HydrophobicContact CG-CB 4.44Å; F334-H343 HydrophobicContact CE1-CB 4.09Å; F334-H343 HydrophobicContact CE2-CB 3.71Å; F334-H343 AromaticContact CE2-CD2 3.34Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.33Å; F334-H343 AromaticContact CE2-CG 3.59Å; F334-H343 HydrophobicContact CZ-CB 3.43Å; F334-H343 VanDerWaalsContact CZ-CB 3.43Å; F334-H343 AromaticContact CZ-CD2 3.47Å; F334-H343 VanDerWaalsContact CZ-CD2 3.47Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.24Å; F334-H343 AromaticContact CZ-CG 3.28Å; F334-H343 AromaticContact CZ-ND1 3.91Å
335	T	71.5	Confident	76.9	Confident	44 Å²	44	75.7 Å²	75.7	27%	0.27	38%	0.379	S	S	.	.	S	Bend	trans	-79.4	-12.1	177.6	57.2	0	0	0	0	113.3	V317 K323	V317-T335 HydrophobicContact CG1-CG2 4.45Å; V317-T335 WeakPolarHBondContact O-CG2 3.4Å; K323-T335 HydrophobicContact CG-CG2 4.2Å
336	R	76.1	Confident	77	Confident	126 Å²	126	77.2 Å²	77.2	48%	0.475	39%	0.394	S	S	.	.	S	Bend	trans	-142.9	131.8	-175.2	-60.5	-180	-174.6	168.1	2.6	111.7	S314 F325 F334 K338 S339 L340	S314-R336 PolarHBondContact O-NH2 3.28Å; F325-R336 VanDerWaalsContact CD2-C 3.48Å; F334-R336 VanDerWaalsContact C-N 3.31Å; R336-K338 PolarHBondContact O-N 3.42Å; R336-K338 VanDerWaalsContact O-N 3.15Å; R336-S339 WeakPolarHBondContact O-CB 3.34Å; R336-S339 PolarHBondContact O-N 2.88Å; R336-L340 PolarHBondContact O-N 3.2Å
337	K	75.6	Confident	77	Confident	129 Å²	129	76.2 Å²	76.2	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-51.5	-38.1	177.6	-170	169	-177.5	169.8	0	113.7	F325 S339 L340 Q341	F325-K337 HydrophobicContact CD1-CB 3.82Å; F325-K337 HydrophobicContact CD1-CG 4.24Å; F325-K337 VanDerWaalsContact CD2-N 3.35Å; F325-K337 HydrophobicContact CE1-CB 3.7Å; F325-K337 HydrophobicContact CE1-CD 4.37Å; F325-K337 HydrophobicContact CE1-CG 4.25Å; F325-K337 HydrophobicContact CE2-CB 4.49Å; F325-K337 HydrophobicContact CG-CB 4.29Å; F325-K337 HydrophobicContact CZ-CB 4.05Å; K337-S339 VanDerWaalsContact C-N 3.32Å; K337-S339 PolarHBondContact O-N 2.97Å; K337-L340 PolarHBondContact O-N 3.31Å; K337-Q341 WeakPolarHBondContact O-CG 3.41Å; K337-Q341 PolarHBondContact O-N 3.39Å
338	K	78.9	Confident	76.8	Confident	164 Å²	164	81.1 Å²	81.1	71%	0.713	42%	0.418	S	S	*	.	H	α-helix	trans	-62.8	-35.9	176.4	-175.5	177.4	177.8	-179.6	0	112.8	R336 Q341 E342	R336-K338 PolarHBondContact O-N 3.42Å; R336-K338 VanDerWaalsContact O-N 3.15Å; K338-Q341 PolarHBondContact O-N 3.33Å; K338-E342 PolarHBondContact O-N 2.99Å
339	S	79.9	Confident	76.7	Confident	48 Å²	48	76.7 Å²	76.7	34%	0.336	41%	0.405	S	S	.	.	H	α-helix	trans	-73.3	-37.2	177.7	-58.8	0	0	0	0	111.6	R336 K337 E342 H343	R336-S339 WeakPolarHBondContact O-CB 3.34Å; R336-S339 PolarHBondContact O-N 2.88Å; K337-S339 VanDerWaalsContact C-N 3.32Å; K337-S339 PolarHBondContact O-N 2.97Å; S339-E342 PolarHBondContact O-N 3.07Å; S339-H343 WeakPolarHBondContact O-CB 3.41Å; S339-H343 PolarHBondContact O-N 2.84Å
340	L	81.2	Confident	76.7	Confident	17 Å²	17	74 Å²	74	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-60.4	-47.7	168.4	172.7	62.2	0	0	0	111.4	F325 M326 C327 F334 R336 K337 E342 H343 Q344	F325-L340 HydrophobicContact CB-CB 4Å; F325-L340 HydrophobicContact CB-CD2 3.86Å; M326-L340 WeakPolarHBondContact O-CD1 3.49Å; M326-L340 WeakPolarHBondContact O-CD2 3.5Å; C327-L340 HydrophobicContact CB-CD1 3.51Å; F334-L340 HydrophobicContact CB-CB 4.42Å; F334-L340 HydrophobicContact CD2-CB 4.06Å; F334-L340 HydrophobicContact CD2-CD1 4.03Å; F334-L340 HydrophobicContact CE2-CD1 4.3Å; F334-L340 HydrophobicContact CG-CB 4.44Å; R336-L340 PolarHBondContact O-N 3.2Å; K337-L340 PolarHBondContact O-N 3.31Å; L340-E342 PolarHBondContact O-N 3.35Å; L340-H343 CarbonylContact O-C 3.55Å; L340-H343 WeakPolarHBondContact O-CA 3.49Å; L340-H343 PolarHBondContact O-N 3.08Å; L340-Q344 HydrophobicContact CD1-CG 4Å; L340-Q344 HydrophobicContact CG-CG 4.36Å; L340-Q344 WeakPolarHBondContact O-CG 3.38Å; L340-Q344 PolarHBondContact O-N 3.47Å
341	Q	79.1	Confident	77	Confident	96 Å²	96	78.7 Å²	78.7	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-65.7	-20.4	176.9	-73.4	179.2	-33.1	0	0	114.4	K337 K338 R345	K337-Q341 WeakPolarHBondContact O-CG 3.41Å; K337-Q341 PolarHBondContact O-N 3.39Å; K338-Q341 PolarHBondContact O-N 3.33Å; Q341-R345 WeakPolarHBondContact O-CG 3.46Å; Q341-R345 PolarHBondContact O-NE 3.31Å
342	E	80.7	Confident	77.3	Confident	80 Å²	80	79.6 Å²	79.6	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-81.1	-38.9	169.2	-170.7	176.5	140.7	0	0	110.9	K338 S339 L340 R345 T364	K338-E342 PolarHBondContact O-N 2.99Å; S339-E342 PolarHBondContact O-N 3.07Å; L340-E342 PolarHBondContact O-N 3.35Å; E342-R345 VanDerWaalsContact O-CB 3.24Å; E342-R345 WeakPolarHBondContact O-CB 3.48Å; E342-R345 WeakPolarHBondContact O-CG 3.34Å; E342-R345 PolarHBondContact O-N 3.48Å; E342-T364 HydrophobicContact CG-CG2 3.73Å; E342-T364 WeakPolarHBondContact OE1-CG2 3.32Å; E342-T364 WeakPolarHBondContact OE2-CG2 3.29Å
343	H	80.3	Confident	77.8	Confident	29 Å²	29	77.5 Å²	77.5	13%	0.134	39%	0.391	C	S	.	.	H	α-helix	trans	-69.7	-38.3	177.6	178.5	57.8	0	0	0	113.7	C330 F334 S339 L340 R345 V346	C330-H343 PolarHBondContact SG-NE2 3.13Å; F334-H343 HydrophobicContact CE1-CB 4.09Å; F334-H343 HydrophobicContact CE2-CB 3.71Å; F334-H343 AromaticContact CE2-CD2 3.34Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.33Å; F334-H343 AromaticContact CE2-CG 3.59Å; F334-H343 HydrophobicContact CZ-CB 3.43Å; F334-H343 VanDerWaalsContact CZ-CB 3.43Å; F334-H343 AromaticContact CZ-CD2 3.47Å; F334-H343 VanDerWaalsContact CZ-CD2 3.47Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.24Å; F334-H343 AromaticContact CZ-CG 3.28Å; F334-H343 AromaticContact CZ-ND1 3.91Å; S339-H343 WeakPolarHBondContact O-CB 3.41Å; S339-H343 PolarHBondContact O-N 2.84Å; L340-H343 CarbonylContact O-C 3.55Å; L340-H343 WeakPolarHBondContact O-CA 3.49Å; L340-H343 PolarHBondContact O-N 3.08Å; H343-R345 PolarHBondContact O-N 3.02Å; H343-V346 VanDerWaalsContact O-CB 3.25Å; H343-V346 WeakPolarHBondContact O-CB 3.42Å; H343-V346 WeakPolarHBondContact O-CG2 3.41Å; H343-V346 PolarHBondContact O-N 2.82Å
344	Q	79.3	Confident	78	Confident	65 Å²	65	77.8 Å²	77.8	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-57.7	-18.2	174.9	-75.3	168.9	-35.4	0	0	112.9	L340 V346 H347 T348	L340-Q344 HydrophobicContact CD1-CG 4Å; L340-Q344 HydrophobicContact CG-CG 4.36Å; L340-Q344 WeakPolarHBondContact O-CG 3.38Å; L340-Q344 PolarHBondContact O-N 3.47Å; Q344-V346 VanDerWaalsContact C-N 3.27Å; Q344-V346 PolarHBondContact O-N 3.18Å; Q344-H347 PolarHBondContact O-N 3.36Å; Q344-T348 PolarHBondContact O-N 3.15Å; Q344-T348 VanDerWaalsContact O-N 3.16Å; Q344-T348 PolarHBondContact O-OG1 3.05Å
345	R	81.5	Confident	78.2	Confident	72 Å²	72	75.4 Å²	75.4	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-72.5	-16.5	172.3	-57.5	174.1	-166.5	-158.7	-9.1	114	Q341 E342 H343 T348 G349 A350 S363	Q341-R345 WeakPolarHBondContact O-CG 3.46Å; Q341-R345 PolarHBondContact O-NE 3.31Å; E342-R345 VanDerWaalsContact O-CB 3.24Å; E342-R345 WeakPolarHBondContact O-CB 3.48Å; E342-R345 WeakPolarHBondContact O-CG 3.34Å; E342-R345 PolarHBondContact O-N 3.48Å; H343-R345 PolarHBondContact O-N 3.02Å; R345-T348 WeakPolarHBondContact CA-OG1 3.45Å; R345-G349 CarbonylContact O-C 3.35Å; R345-G349 WeakPolarHBondContact O-CA 3.24Å; R345-G349 PolarHBondContact O-N 3.45Å; R345-A350 HydrophobicContact CB-CB 4.3Å; R345-A350 WeakPolarHBondContact CB-O 3.49Å; R345-A350 HydrophobicContact CG-CB 4.36Å; R345-A350 PolarHBondContact O-N 2.92Å; R345-A350 VanDerWaalsContact O-N 3.1Å; R345-S363 PolarHBondContact NH1-O 3.44Å
346	V	75	Confident	78.6	Confident	101 Å²	101	81.1 Å²	81.1	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-72.2	-46.7	172.7	-178.3	0	0	0	0	109.7	H343 Q344 G349	H343-V346 VanDerWaalsContact O-CB 3.25Å; H343-V346 WeakPolarHBondContact O-CB 3.42Å; H343-V346 WeakPolarHBondContact O-CG2 3.41Å; H343-V346 PolarHBondContact O-N 2.82Å; Q344-V346 VanDerWaalsContact C-N 3.27Å; Q344-V346 PolarHBondContact O-N 3.18Å; V346-G349 PolarHBondContact O-N 2.97Å
347	H	75.4	Confident	78.5	Confident	90 Å²	90	79.8 Å²	79.8	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-71	-44.4	180	-56.9	-58.4	0	0	0	112.9	V329 C330 Q344 G349	V329-H347 HydrophobicContact CB-CB 4.49Å; V329-H347 HydrophobicContact CG1-CB 4.08Å; C330-H347 WeakPolarHBondContact CB-NE2 3.27Å; C330-H347 PolarHBondContact SG-NE2 3.41Å; Q344-H347 PolarHBondContact O-N 3.36Å; H347-G349 PolarHBondContact O-N 3.16Å
348	T	74.9	Confident	78.5	Confident	104 Å²	104	75.7 Å²	75.7	64%	0.638	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.4	177.9	53	0	0	0	0	113.8	Q344 R345 A350	Q344-T348 PolarHBondContact O-N 3.15Å; Q344-T348 VanDerWaalsContact O-N 3.16Å; Q344-T348 PolarHBondContact O-OG1 3.05Å; R345-T348 WeakPolarHBondContact CA-OG1 3.45Å; T348-A350 PolarHBondContact O-N 2.77Å; T348-A350 WeakPolarHBondContact OG1-CB 3.37Å
349	G	73.2	Confident	78.3	Confident	46 Å²	46	70.5 Å²	70.5	47%	0.474	39%	0.39	S	S	.	.			trans	61.5	0.6	-172.5	0	0	0	0	0	115.3	R345 V346 H347 R351	R345-G349 CarbonylContact O-C 3.35Å; R345-G349 WeakPolarHBondContact O-CA 3.24Å; R345-G349 PolarHBondContact O-N 3.45Å; V346-G349 PolarHBondContact O-N 2.97Å; H347-G349 PolarHBondContact O-N 3.16Å; G349-R351 WeakPolarHBondContact O-CG 3.26Å; G349-R351 PolarHBondContact O-N 3.02Å; G349-R351 VanDerWaalsContact O-N 3.12Å
350	A	74.1	Confident	78.2	Confident	39 Å²	39	74.1 Å²	74.1	32%	0.322	40%	0.4	S	S	.	.			trans	-62.5	112.3	-166.3	0	0	0	0	0	112.2	R345 T348 P352	R345-A350 HydrophobicContact CB-CB 4.3Å; R345-A350 WeakPolarHBondContact CB-O 3.49Å; R345-A350 HydrophobicContact CG-CB 4.36Å; R345-A350 PolarHBondContact O-N 2.92Å; R345-A350 VanDerWaalsContact O-N 3.1Å; T348-A350 PolarHBondContact O-N 2.77Å; T348-A350 WeakPolarHBondContact OG1-CB 3.37Å; A350-P352 WeakPolarHBondContact O-CD 3.29Å
351	R	79.3	Confident	78.1	Confident	148 Å²	148	79.6 Å²	79.6	56%	0.558	42%	0.419	S	S	*	.			trans	-119.9	86.1	179	-71.6	163.2	174.3	-151.2	8	109.9	G349 Y353 R361 F362	G349-R351 WeakPolarHBondContact O-CG 3.26Å; G349-R351 PolarHBondContact O-N 3.02Å; G349-R351 VanDerWaalsContact O-N 3.12Å; R351-Y353 PolarHBondContact O-N 2.86Å; R351-R361 HydrophobicContact CB-CB 3.49Å; R351-R361 VanDerWaalsContact CB-CB 3.49Å; R351-R361 WeakPolarHBondContact CD-O 3.48Å; R351-R361 HydrophobicContact CG-CB 4.43Å; R351-R361 PolarHBondContact O-NE 2.64Å; R351-R361 PolarHBondContact O-NH2 3.48Å; R351-R361 VanDerWaalsContact O-NH2 3.08Å; R351-F362 CarbonylContact C-O 3.51Å; R351-F362 VanDerWaalsContact C-O 3.31Å; R351-F362 WeakPolarHBondContact CA-O 3.22Å
352	P	81.5	Confident	78.3	Confident	64 Å²	64	77.2 Å²	77.2	42%	0.416	41%	0.408	S	S	.	.			trans	-72	-14.6	-172.2	-18.4	33.1	0	0	0	114.3	A350 P354 F362	A350-P352 WeakPolarHBondContact O-CD 3.29Å; P352-P354 WeakPolarHBondContact O-CD 3.07Å; P352-F362 WeakPolarHBondContact CD-O 3.23Å
353	Y	83.1	Confident	78.1	Confident	80 Å²	80	75.1 Å²	75.1	31%	0.314	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	86.4	-170	-56.2	-78	0	0	0	110.8	R351 F362 S363 T364	R351-Y353 PolarHBondContact O-N 2.86Å; Y353-F362 PolarHBondContact N-O 2.89Å; Y353-F362 VanDerWaalsContact N-O 3.16Å; Y353-F362 PolarHBondContact O-N 2.77Å; Y353-S363 WeakPolarHBondContact CE2-O 3.4Å; Y353-T364 VanDerWaalsContact CD2-CA 3.41Å
354	P	78.3	Confident	78.1	Confident	42 Å²	42	74.5 Å²	74.5	27%	0.273	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	148.2	173.8	31.2	-35.5	0	0	0	111.7	P352 R361 L368	P352-P354 WeakPolarHBondContact O-CD 3.07Å; P354-R361 HydrophobicContact CB-CG 4.26Å; P354-L368 WeakPolarHBondContact O-CD2 3.45Å
355	C	83.8	Confident	78.1	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	41%	0.409	C	S	.	.			trans	-94.2	112.4	164.7	-165.9	0	0	0	0	109.7	T357 C358 G359 K360 F362 L368	C355-T357 PolarHBondContact O-N 3.18Å; C355-C358 PolarHBondContact O-N 3.23Å; C355-G359 WeakPolarHBondContact O-CA 3.27Å; C355-G359 PolarHBondContact O-N 3.3Å; C355-K360 WeakPolarHBondContact CB-O 3.41Å; C355-K360 PolarHBondContact N-O 3.24Å; C355-F362 HydrophobicContact CB-CE2 4.41Å; C355-L368 HydrophobicContact CB-CD1 3.59Å
356	Q	78.7	Confident	77.9	Confident	164 Å²	164	72.6 Å²	72.6	77%	0.766	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	-177.8	-52.3	-59.3	44.7	0	0	112.8	C358	Q356-C358 VanDerWaalsContact C-N 3.34Å; Q356-C358 PolarHBondContact O-N 3.38Å
357	T	74.6	Confident	78.1	Confident	97 Å²	97	71.8 Å²	71.8	60%	0.595	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.9	-178.2	-37.7	0	0	0	0	114.2	C355 H375	C355-T357 PolarHBondContact O-N 3.18Å; T357-H375 HydrophobicContact CG2-CB 4.03Å
358	C	74.9	Confident	78.3	Confident	44 Å²	44	68.5 Å²	68.5	30%	0.297	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	13.2	-176.2	71.8	0	0	0	0	115.8	C355 Q356 K360 H371 H375	C355-C358 PolarHBondContact O-N 3.23Å; Q356-C358 VanDerWaalsContact C-N 3.34Å; Q356-C358 PolarHBondContact O-N 3.38Å; C358-K360 PolarHBondContact O-N 3.29Å; C358-H371 PolarHBondContact SG-NE2 2.89Å; C358-H375 WeakPolarHBondContact CB-NE2 3.4Å; C358-H375 PolarHBondContact SG-NE2 3.05Å
359	G	76.3	Confident	78.4	Confident	54 Å²	54	72.1 Å²	72.1	56%	0.557	39%	0.389	S	S	*	.			trans	68.1	-18.9	-178.1	0	0	0	0	0	116.3	C355 R361	C355-G359 WeakPolarHBondContact O-CA 3.27Å; C355-G359 PolarHBondContact O-N 3.3Å; G359-R361 VanDerWaalsContact O-CG 3.26Å; G359-R361 WeakPolarHBondContact O-CG 3.49Å; G359-R361 PolarHBondContact O-N 2.79Å
360	K	76.4	Confident	78.3	Confident	124 Å²	124	73.6 Å²	73.6	54%	0.539	39%	0.388	S	S	.	.			trans	-59.5	126.5	-173.5	-67.8	174.1	-174.4	168.6	0	111.2	C355 C358 F362	C355-K360 WeakPolarHBondContact CB-O 3.41Å; C355-K360 PolarHBondContact N-O 3.24Å; C358-K360 PolarHBondContact O-N 3.29Å; K360-F362 HydrophobicContact CB-CE2 3.9Å; K360-F362 HydrophobicContact CB-CZ 4.17Å; K360-F362 WeakPolarHBondContact O-CD2 3.5Å; K360-F362 VanDerWaalsContact O-CE2 3.23Å; K360-F362 WeakPolarHBondContact O-CE2 3.35Å
361	R	80.8	Confident	78.5	Confident	132 Å²	132	73.1 Å²	73.1	50%	0.498	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.2	-174.6	-48.7	-174.7	64.1	115.5	0.7	112.2	R351 P354 G359	R351-R361 HydrophobicContact CB-CB 3.49Å; R351-R361 VanDerWaalsContact CB-CB 3.49Å; R351-R361 WeakPolarHBondContact CD-O 3.48Å; R351-R361 HydrophobicContact CG-CB 4.43Å; R351-R361 PolarHBondContact O-NE 2.64Å; R351-R361 PolarHBondContact O-NH2 3.48Å; R351-R361 VanDerWaalsContact O-NH2 3.08Å; P354-R361 HydrophobicContact CB-CG 4.26Å; G359-R361 VanDerWaalsContact O-CG 3.26Å; G359-R361 WeakPolarHBondContact O-CG 3.49Å; G359-R361 PolarHBondContact O-N 2.79Å
362	F	81.6	Confident	78.3	Confident	46 Å²	46	71.4 Å²	71.4	20%	0.202	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.4	-175.4	-62.5	-91.6	0	0	0	112.2	R351 P352 Y353 C355 K360 N367 L368 H371	R351-F362 CarbonylContact C-O 3.51Å; R351-F362 VanDerWaalsContact C-O 3.31Å; R351-F362 WeakPolarHBondContact CA-O 3.22Å; P352-F362 WeakPolarHBondContact CD-O 3.23Å; Y353-F362 PolarHBondContact N-O 2.89Å; Y353-F362 VanDerWaalsContact N-O 3.16Å; Y353-F362 PolarHBondContact O-N 2.77Å; C355-F362 HydrophobicContact CB-CE2 4.41Å; K360-F362 HydrophobicContact CB-CE2 3.9Å; K360-F362 HydrophobicContact CB-CZ 4.17Å; K360-F362 WeakPolarHBondContact O-CD2 3.5Å; K360-F362 VanDerWaalsContact O-CE2 3.23Å; K360-F362 WeakPolarHBondContact O-CE2 3.35Å; F362-N367 HydrophobicContact CB-CB 4.44Å; F362-N367 HydrophobicContact CD1-CB 4.04Å; F362-L368 HydrophobicContact CB-CB 4.29Å; F362-L368 HydrophobicContact CD2-CB 4.21Å; F362-L368 HydrophobicContact CD2-CD1 3.96Å; F362-L368 HydrophobicContact CE2-CD1 4.31Å; F362-L368 HydrophobicContact CG-CB 4.36Å; F362-H371 HydrophobicContact CE1-CB 3.95Å; F362-H371 HydrophobicContact CE2-CB 4.02Å; F362-H371 AromaticContact CE2-CD2 3.1Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.45Å; F362-H371 AromaticContact CE2-CG 3.65Å; F362-H371 AromaticContact CE2-NE2 3.79Å; F362-H371 HydrophobicContact CZ-CB 3.59Å; F362-H371 AromaticContact CZ-CD2 3.18Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.47Å; F362-H371 AromaticContact CZ-CG 3.25Å; F362-H371 AromaticContact CZ-ND1 3.91Å; F362-H371 AromaticContact CZ-NE2 3.77Å
363	S	76.7	Confident	77.8	Confident	36 Å²	36	72 Å²	72	25%	0.252	37%	0.37	S	S	.	.	S	Bend	trans	-74.3	-24.1	176.1	52.3	0	0	0	0	113.4	R345 Y353	R345-S363 PolarHBondContact NH1-O 3.44Å; Y353-S363 WeakPolarHBondContact CE2-O 3.4Å
364	T	80.4	Confident	77	Confident	17 Å²	17	70.7 Å²	70.7	10%	0.104	37%	0.373	C	S	.	.			trans	-135.3	150.8	178.5	62.5	0	0	0	0	113.8	E342 Y353 G366 N367 L368	E342-T364 HydrophobicContact CG-CG2 3.73Å; E342-T364 WeakPolarHBondContact OE1-CG2 3.32Å; E342-T364 WeakPolarHBondContact OE2-CG2 3.29Å; Y353-T364 VanDerWaalsContact CD2-CA 3.41Å; T364-G366 VanDerWaalsContact C-N 3.28Å; T364-G366 PolarHBondContact O-N 3.03Å; T364-N367 PolarHBondContact O-N 3.35Å; T364-N367 WeakPolarHBondContact OG1-CB 3.27Å; T364-N367 PolarHBondContact OG1-N 3.39Å; T364-N367 PolarHBondContact OG1-ND2 2.82Å; T364-L368 PolarHBondContact O-N 3.43Å; T364-L368 VanDerWaalsContact O-N 3.09Å
365	S	79.6	Confident	76.6	Confident	70 Å²	70	72.5 Å²	72.5	49%	0.49	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-29.9	171.5	53.8	0	0	0	0	112.9	L368 R369	S365-L368 PolarHBondContact O-N 2.98Å; S365-R369 WeakPolarHBondContact O-CB 3.37Å; S365-R369 PolarHBondContact O-N 3.17Å
366	G	77.2	Confident	75.6	Confident	26 Å²	26	74.2 Å²	74.2	27%	0.268	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-48.2	173.3	0	0	0	0	0	112	T364 R369 V370	T364-G366 VanDerWaalsContact C-N 3.28Å; T364-G366 PolarHBondContact O-N 3.03Å; G366-R369 PolarHBondContact O-N 2.91Å; G366-V370 PolarHBondContact O-N 3.46Å; G366-V370 VanDerWaalsContact O-N 3.08Å
367	N	79.4	Confident	74.7	Confident	84 Å²	84	72.3 Å²	72.3	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-68.6	-39.5	177.9	-67.7	-10.5	0	0	0	111.6	F362 T364 R369 V370 H371	F362-N367 HydrophobicContact CB-CB 4.44Å; F362-N367 HydrophobicContact CD1-CB 4.04Å; T364-N367 PolarHBondContact O-N 3.35Å; T364-N367 WeakPolarHBondContact OG1-CB 3.27Å; T364-N367 PolarHBondContact OG1-N 3.39Å; T364-N367 PolarHBondContact OG1-ND2 2.82Å; N367-R369 VanDerWaalsContact C-N 3.34Å; N367-R369 PolarHBondContact O-N 3.04Å; N367-V370 PolarHBondContact O-N 3.05Å; N367-H371 WeakPolarHBondContact O-CB 3.36Å; N367-H371 PolarHBondContact O-N 2.91Å
368	L	80	Confident	74.2	Confident	22 Å²	22	73.5 Å²	73.5	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-42.5	171.5	174.6	61	0	0	0	111.9	P354 C355 F362 T364 S365 V370 H371 K372	P354-L368 WeakPolarHBondContact O-CD2 3.45Å; C355-L368 HydrophobicContact CB-CD1 3.59Å; F362-L368 HydrophobicContact CB-CB 4.29Å; F362-L368 HydrophobicContact CD2-CB 4.21Å; F362-L368 HydrophobicContact CD2-CD1 3.96Å; F362-L368 HydrophobicContact CE2-CD1 4.31Å; F362-L368 HydrophobicContact CG-CB 4.36Å; T364-L368 PolarHBondContact O-N 3.43Å; T364-L368 VanDerWaalsContact O-N 3.09Å; S365-L368 PolarHBondContact O-N 2.98Å; L368-V370 PolarHBondContact O-N 2.83Å; L368-H371 CarbonylContact O-C 3.14Å; L368-H371 PolarHBondContact O-N 3.09Å; L368-K372 HydrophobicContact CD1-CG 4.26Å; L368-K372 PolarHBondContact O-N 3.29Å
369	R	76.5	Confident	73.9	Confident	179 Å²	179	77.6 Å²	77.6	68%	0.675	39%	0.392	S	S	*	.	H	α-helix	trans	-64.5	-39	178.8	179.7	174.7	60.5	174.7	-1.4	112.5	S365 G366 N367	S365-R369 WeakPolarHBondContact O-CB 3.37Å; S365-R369 PolarHBondContact O-N 3.17Å; G366-R369 PolarHBondContact O-N 2.91Å; N367-R369 VanDerWaalsContact C-N 3.34Å; N367-R369 PolarHBondContact O-N 3.04Å
370	V	71.9	Confident	73.8	Confident	77 Å²	77	78.6 Å²	78.6	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-68.8	-38.7	172.6	176.7	0	0	0	0	110.7	G366 N367 L368 R373	G366-V370 PolarHBondContact O-N 3.46Å; G366-V370 VanDerWaalsContact O-N 3.08Å; N367-V370 PolarHBondContact O-N 3.05Å; L368-V370 PolarHBondContact O-N 2.83Å; V370-R373 WeakPolarHBondContact O-CB 3.17Å; V370-R373 PolarHBondContact O-N 2.76Å
371	H	78.3	Confident	73.8	Confident	30 Å²	30	75.8 Å²	75.8	14%	0.139	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-34.3	177.7	174.7	53.7	0	0	0	113.9	C358 F362 N367 L368 R373 S374 H375	C358-H371 PolarHBondContact SG-NE2 2.89Å; F362-H371 HydrophobicContact CE1-CB 3.95Å; F362-H371 HydrophobicContact CE2-CB 4.02Å; F362-H371 AromaticContact CE2-CD2 3.1Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.45Å; F362-H371 AromaticContact CE2-CG 3.65Å; F362-H371 AromaticContact CE2-NE2 3.79Å; F362-H371 HydrophobicContact CZ-CB 3.59Å; F362-H371 AromaticContact CZ-CD2 3.18Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.47Å; F362-H371 AromaticContact CZ-CG 3.25Å; F362-H371 AromaticContact CZ-ND1 3.91Å; F362-H371 AromaticContact CZ-NE2 3.77Å; N367-H371 WeakPolarHBondContact O-CB 3.36Å; N367-H371 PolarHBondContact O-N 2.91Å; L368-H371 CarbonylContact O-C 3.14Å; L368-H371 PolarHBondContact O-N 3.09Å; H371-R373 PolarHBondContact O-N 2.92Å; H371-S374 PolarHBondContact CE1-OG 2.98Å; H371-S374 PolarHBondContact ND1-OG 3.09Å; H371-S374 VanDerWaalsContact ND1-OG 3.11Å; H371-S374 VanDerWaalsContact O-CB 3.3Å; H371-S374 WeakPolarHBondContact O-CB 3.41Å; H371-S374 PolarHBondContact O-N 3.44Å; H371-S374 PolarHBondContact O-OG 3.36Å; H371-H375 AromaticContact CE1-NE2 3.71Å; H371-H375 AromaticContact NE2-NE2 3.89Å
372	K	75.1	Confident	73.5	Confident	112 Å²	112	77.4 Å²	77.4	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-56	-33	174.7	-80.3	-167.3	172.2	-162.5	0	112.2	L368 S374 H375 S376	L368-K372 HydrophobicContact CD1-CG 4.26Å; L368-K372 PolarHBondContact O-N 3.29Å; K372-S374 PolarHBondContact O-N 2.99Å; K372-S374 VanDerWaalsContact O-N 3.13Å; K372-H375 PolarHBondContact O-N 3.45Å; K372-S376 PolarHBondContact O-N 3.49Å
373	R	70.4	Confident	73.6	Confident	76 Å²	76	75.9 Å²	75.9	29%	0.287	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-2.5	172.1	-58.3	177.4	173.8	-178.9	-7.7	114.8	V370 H371 Y381 K391	V370-R373 WeakPolarHBondContact O-CB 3.17Å; V370-R373 PolarHBondContact O-N 2.76Å; H371-R373 PolarHBondContact O-N 2.92Å; R373-Y381 PolarHBondContact NH1-OH 3.25Å; R373-K391 VanDerWaalsContact O-CD 3.25Å; R373-K391 WeakPolarHBondContact O-CD 3.15Å
374	S	65.8	Low	73.5	Confident	52 Å²	52	79 Å²	79	36%	0.364	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-23	166.9	70.6	0	0	0	0	112.5	H371 K372 K391	H371-S374 PolarHBondContact CE1-OG 2.98Å; H371-S374 PolarHBondContact ND1-OG 3.09Å; H371-S374 VanDerWaalsContact ND1-OG 3.11Å; H371-S374 VanDerWaalsContact O-CB 3.3Å; H371-S374 WeakPolarHBondContact O-CB 3.41Å; H371-S374 PolarHBondContact O-N 3.44Å; H371-S374 PolarHBondContact O-OG 3.36Å; K372-S374 PolarHBondContact O-N 2.99Å; K372-S374 VanDerWaalsContact O-N 3.13Å; S374-K391 PolarHBondContact O-NZ 2.9Å; S374-K391 VanDerWaalsContact O-NZ 3.16Å
375	H	69.9	Low	73.2	Confident	81 Å²	81	81.7 Å²	81.7	38%	0.375	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-31.6	-179.1	-54.8	-49.9	0	0	0	113.5	T357 C358 H371 K372	T357-H375 HydrophobicContact CG2-CB 4.03Å; C358-H375 WeakPolarHBondContact CB-NE2 3.4Å; C358-H375 PolarHBondContact SG-NE2 3.05Å; H371-H375 AromaticContact CE1-NE2 3.71Å; H371-H375 AromaticContact NE2-NE2 3.89Å; K372-H375 PolarHBondContact O-N 3.45Å
376	S	64.1	Low	73.2	Confident	36 Å²	36	79.8 Å²	79.8	25%	0.252	40%	0.401	S	S	.	.	S	Bend	trans	-76.4	144	160.5	58.6	0	0	0	0	109.5	K372 E378 K391	K372-S376 PolarHBondContact O-N 3.49Å; S376-E378 VanDerWaalsContact C-N 3.27Å; S376-E378 WeakPolarHBondContact CB-OE2 3.41Å; S376-E378 PolarHBondContact OG-OE2 3.44Å; S376-K391 WeakPolarHBondContact O-CE 3.38Å; S376-K391 PolarHBondContact O-NZ 3.3Å
377	D	59.5	Low	73.1	Confident	123 Å²	123	86.5 Å²	86.5	66%	0.658	43%	0.43	S	S	*	.			trans	-88.3	4.4	171	-85.2	-48.3	0	0	0	114.2	R379 K391	D377-R379 WeakPolarHBondContact O-CG 3.46Å; D377-R379 PolarHBondContact O-N 2.97Å; D377-K391 WeakPolarHBondContact OD1-CE 3.33Å; D377-K391 IonicContact OD1-NZ 2.86Å; D377-K391 PolarHBondContact OD1-NZ 3.48Å
378	E	62.8	Low	72.7	Confident	122 Å²	122	88.1 Å²	88.1	57%	0.57	43%	0.433	S	S	*	.			trans	-43.7	120.9	156.7	-63.1	172.3	142.8	0	0	110.7	S376 P380	S376-E378 VanDerWaalsContact C-N 3.27Å; S376-E378 WeakPolarHBondContact CB-OE2 3.41Å; S376-E378 PolarHBondContact OG-OE2 3.44Å; E378-P380 HydrophobicContact CB-CG 4.5Å; E378-P380 WeakPolarHBondContact O-CD 3.43Å
379	R	70.4	Confident	72.6	Confident	130 Å²	130	87.8 Å²	87.8	49%	0.491	43%	0.434	S	S	.	.			trans	-122.9	76.3	174.5	-71.5	153.7	178	-118.2	18.1	108.4	D377 Y381 A389 F390 K391	D377-R379 WeakPolarHBondContact O-CG 3.46Å; D377-R379 PolarHBondContact O-N 2.97Å; R379-Y381 PolarHBondContact O-N 3.46Å; R379-A389 HydrophobicContact CB-CB 3.43Å; R379-A389 VanDerWaalsContact CB-CB 3.43Å; R379-A389 WeakPolarHBondContact CD-O 3.39Å; R379-A389 HydrophobicContact CG-CB 4.31Å; R379-A389 WeakPolarHBondContact CG-O 3.25Å; R379-A389 PolarHBondContact NH1-O 2.88Å; R379-F390 CarbonylContact C-O 3.42Å; R379-F390 VanDerWaalsContact C-O 3.3Å; R379-F390 WeakPolarHBondContact CA-O 3.39Å; R379-K391 HydrophobicContact CG-CG 3.84Å
380	P	73.9	Confident	72.6	Confident	75 Å²	75	81.9 Å²	81.9	49%	0.487	41%	0.413	S	S	.	.			trans	-67.7	-6.4	-167.9	-20.8	34.3	0	0	0	114.7	E378	E378-P380 HydrophobicContact CB-CG 4.5Å; E378-P380 WeakPolarHBondContact O-CD 3.43Å
381	Y	74.6	Confident	72.4	Confident	65 Å²	65	80.9 Å²	80.9	26%	0.255	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	75.8	-177.5	-52	-79.4	0	0	0	108.7	R373 R379 F390 C392 R393	R373-Y381 PolarHBondContact NH1-OH 3.25Å; R379-Y381 PolarHBondContact O-N 3.46Å; Y381-F390 WeakPolarHBondContact CD2-O 3.28Å; Y381-F390 PolarHBondContact N-O 3.07Å; Y381-F390 PolarHBondContact O-N 2.92Å; Y381-C392 VanDerWaalsContact CD2-CA 3.42Å; Y381-R393 HydrophobicContact CD1-CB 3.91Å; Y381-R393 HydrophobicContact CE1-CB 3.8Å; Y381-R393 HydrophobicContact CG-CB 4.45Å
382	K	76.5	Confident	72	Confident	167 Å²	167	81.7 Å²	81.7	73%	0.726	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	148.7	169	-63.7	-171.3	177.9	-175	0	110	A389 L396	K382-A389 HydrophobicContact CG-CB 3.96Å; K382-L396 VanDerWaalsContact O-CD2 3.29Å; K382-L396 WeakPolarHBondContact O-CD2 3.42Å
383	C	81.7	Confident	71.8	Confident	13 Å²	13	85.1 Å²	85.1	9%	0.088	42%	0.421	C	S	.	.			trans	-85.4	143.6	168.3	-171.8	0	0	0	0	109.7	E385 C386 K388 L396 H403	C383-E385 VanDerWaalsContact C-N 3.26Å; C383-E385 PolarHBondContact SG-N 3.07Å; C383-C386 WeakPolarHBondContact CB-O 3.29Å; C383-C386 VanDerWaalsContact O-O 3.11Å; C383-K388 WeakPolarHBondContact CB-O 3.04Å; C383-K388 PolarHBondContact N-O 2.8Å; C383-K388 VanDerWaalsContact N-O 3.13Å; C383-L396 HydrophobicContact CB-CD1 3.66Å; C383-H403 PolarHBondContact SG-NE2 3.04Å
384	S	74.8	Confident	71.9	Confident	101 Å²	101	87.7 Å²	87.7	71%	0.706	44%	0.438	S	S	*	.	S	Bend	trans	-70.9	-23.3	172.4	31.8	0	0	0	0	112.8
385	E	74.5	Confident	72.2	Confident	74 Å²	74	86 Å²	86	35%	0.346	43%	0.428	S	S	.	.	S	Bend	trans	-111.6	-1.4	-165.6	-63.2	140.7	-120.1	0	0	112	C383 R400 H403	C383-E385 VanDerWaalsContact C-N 3.26Å; C383-E385 PolarHBondContact SG-N 3.07Å; E385-R400 IonicContact OE1-CZ 2.64Å; E385-R400 IonicContact OE1-NE 2.67Å; E385-R400 PolarHBondContact OE1-NE 3.04Å; E385-R400 IonicContact OE1-NH2 3.95Å; E385-R400 PolarHBondContact OE1-NH2 3.38Å; E385-H403 HydrophobicContact CB-CB 4.25Å; E385-H403 PolarHBondContact O-CE1 3.17Å; E385-H403 WeakPolarHBondContact OE2-CB 3.42Å; E385-H403 IonicContact OE2-CD2 2.69Å; E385-H403 IonicContact OE2-CG 3.07Å
386	C	80.3	Confident	72.5	Confident	31 Å²	31	83.5 Å²	83.5	21%	0.209	42%	0.418	C	S	.	.	S	Bend	trans	-172.9	169.4	162.6	67.1	0	0	0	0	111.5	C383 K388 H399 H403	C383-C386 WeakPolarHBondContact CB-O 3.29Å; C383-C386 VanDerWaalsContact O-O 3.11Å; C386-K388 PolarHBondContact O-N 3.3Å; C386-H399 PolarHBondContact SG-NE2 3.38Å; C386-H403 WeakPolarHBondContact CB-CE1 3.46Å; C386-H403 PolarHBondContact SG-CE1 2.92Å; C386-H403 PolarHBondContact SG-NE2 3.4Å
387	D	74.8	Confident	72.8	Confident	166 Å²	166	87.3 Å²	87.3	89%	0.888	43%	0.433	S	S	*	.	S	Bend	trans	-65.8	2.7	-176.8	-46	-75.8	0	0	0	115.9	A389	D387-A389 PolarHBondContact O-N 3.4Å
388	K	71.6	Confident	73.5	Confident	119 Å²	119	86.2 Å²	86.2	52%	0.517	42%	0.424	S	S	.	.			trans	-71.6	107.9	-179.2	-69.8	171.2	-172.7	142.7	0	110	C383 C386 F390	C383-K388 WeakPolarHBondContact CB-O 3.04Å; C383-K388 PolarHBondContact N-O 2.8Å; C383-K388 VanDerWaalsContact N-O 3.13Å; C386-K388 PolarHBondContact O-N 3.3Å; K388-F390 HydrophobicContact CB-CE2 3.74Å; K388-F390 HydrophobicContact CB-CZ 3.99Å; K388-F390 WeakPolarHBondContact O-CD2 3.46Å; K388-F390 WeakPolarHBondContact O-CE2 3.32Å
389	A	77.3	Confident	74.2	Confident	15 Å²	15	81.2 Å²	81.2	12%	0.124	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.8	175.9	0	0	0	0	0	112.3	R379 K382 D387	R379-A389 HydrophobicContact CB-CB 3.43Å; R379-A389 VanDerWaalsContact CB-CB 3.43Å; R379-A389 WeakPolarHBondContact CD-O 3.39Å; R379-A389 HydrophobicContact CG-CB 4.31Å; R379-A389 WeakPolarHBondContact CG-O 3.25Å; R379-A389 PolarHBondContact NH1-O 2.88Å; K382-A389 HydrophobicContact CG-CB 3.96Å; D387-A389 PolarHBondContact O-N 3.4Å
390	F	77.3	Confident	74.3	Confident	54 Å²	54	80.2 Å²	80.2	24%	0.237	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.5	-172.4	-63.7	-92.8	0	0	0	112.8	R379 Y381 K388 C392 L396 H399	R379-F390 CarbonylContact C-O 3.42Å; R379-F390 VanDerWaalsContact C-O 3.3Å; R379-F390 WeakPolarHBondContact CA-O 3.39Å; Y381-F390 WeakPolarHBondContact CD2-O 3.28Å; Y381-F390 PolarHBondContact N-O 3.07Å; Y381-F390 PolarHBondContact O-N 2.92Å; K388-F390 HydrophobicContact CB-CE2 3.74Å; K388-F390 HydrophobicContact CB-CZ 3.99Å; K388-F390 WeakPolarHBondContact O-CD2 3.46Å; K388-F390 WeakPolarHBondContact O-CE2 3.32Å; F390-C392 VanDerWaalsContact C-N 3.3Å; F390-C392 PolarHBondContact O-N 3.28Å; F390-L396 HydrophobicContact CB-CB 4.3Å; F390-L396 HydrophobicContact CD2-CB 4.13Å; F390-L396 HydrophobicContact CD2-CD1 4.13Å; F390-L396 HydrophobicContact CE2-CD1 4.46Å; F390-L396 HydrophobicContact CG-CB 4.35Å; F390-H399 HydrophobicContact CE1-CB 3.96Å; F390-H399 HydrophobicContact CE2-CB 3.73Å; F390-H399 AromaticContact CE2-CD2 3.21Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.44Å; F390-H399 AromaticContact CE2-CG 3.6Å; F390-H399 HydrophobicContact CZ-CB 3.39Å; F390-H399 AromaticContact CZ-CD2 3.38Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.32Å; F390-H399 AromaticContact CZ-CG 3.3Å
391	K	67.1	Low	74.2	Confident	56 Å²	56	78.3 Å²	78.3	24%	0.243	38%	0.383	C	S	.	.	S	Bend	trans	-78.3	-10.2	179.6	-62.8	180	165	-149.7	0	113.1	R373 S374 S376 D377 R379	R373-K391 VanDerWaalsContact O-CD 3.25Å; R373-K391 WeakPolarHBondContact O-CD 3.15Å; S374-K391 PolarHBondContact O-NZ 2.9Å; S374-K391 VanDerWaalsContact O-NZ 3.16Å; S376-K391 WeakPolarHBondContact O-CE 3.38Å; S376-K391 PolarHBondContact O-NZ 3.3Å; D377-K391 WeakPolarHBondContact OD1-CE 3.33Å; D377-K391 IonicContact OD1-NZ 2.86Å; D377-K391 PolarHBondContact OD1-NZ 3.48Å; R379-K391 HydrophobicContact CG-CG 3.84Å
392	C	69.6	Low	74	Confident	48 Å²	48	80.1 Å²	80.1	32%	0.324	40%	0.401	S	S	.	.	S	Bend	trans	-149.5	151.6	173.7	70.9	0	0	0	0	114.1	Y381 F390 M394 G395 L396	Y381-C392 VanDerWaalsContact CD2-CA 3.42Å; F390-C392 VanDerWaalsContact C-N 3.3Å; F390-C392 PolarHBondContact O-N 3.28Å; C392-M394 VanDerWaalsContact C-N 3.27Å; C392-M394 PolarHBondContact O-N 3.03Å; C392-G395 PolarHBondContact O-N 3.2Å; C392-G395 PolarHBondContact SG-N 3.34Å; C392-G395 VanDerWaalsContact SG-N 3.42Å; C392-L396 PolarHBondContact O-N 3.16Å
393	R	72	Confident	73.7	Confident	183 Å²	183	75.9 Å²	75.9	69%	0.691	38%	0.384	S	S	*	.	H	α-helix	trans	-56.9	-35	179.7	-175.1	176	177.2	174.5	0.2	113.5	Y381 L396 M397	Y381-R393 HydrophobicContact CD1-CB 3.91Å; Y381-R393 HydrophobicContact CE1-CB 3.8Å; Y381-R393 HydrophobicContact CG-CB 4.45Å; R393-L396 PolarHBondContact O-N 3.05Å; R393-M397 PolarHBondContact O-N 3.45Å
394	M	71.1	Confident	73	Confident	131 Å²	131	78 Å²	78	65%	0.645	40%	0.399	S	S	*	.	H	α-helix	trans	-69.3	-34.9	177.7	-64.6	-68.3	93.8	0	0	112.4	C392 M397 Q398	C392-M394 VanDerWaalsContact C-N 3.27Å; C392-M394 PolarHBondContact O-N 3.03Å; M394-M397 PolarHBondContact O-N 3.18Å; M394-Q398 VanDerWaalsContact O-CB 3.25Å; M394-Q398 WeakPolarHBondContact O-CB 3.23Å; M394-Q398 PolarHBondContact O-N 2.83Å
395	G	73	Confident	72.4	Confident	16 Å²	16	75.1 Å²	75.1	17%	0.165	39%	0.386	C	S	.	.	H	α-helix	trans	-65.8	-40.5	173.5	0	0	0	0	0	112.2	C392 H399	C392-G395 PolarHBondContact O-N 3.2Å; C392-G395 PolarHBondContact SG-N 3.34Å; C392-G395 VanDerWaalsContact SG-N 3.42Å; G395-H399 WeakPolarHBondContact O-CB 3.25Å; G395-H399 PolarHBondContact O-N 3.28Å
396	L	75.9	Confident	71.9	Confident	28 Å²	28	77.6 Å²	77.6	15%	0.147	40%	0.397	C	S	.	.	H	α-helix	trans	-64.1	-47.4	171.9	173.3	60.5	0	0	0	111.7	K382 C383 F390 C392 R393 Q398 H399 R400	K382-L396 VanDerWaalsContact O-CD2 3.29Å; K382-L396 WeakPolarHBondContact O-CD2 3.42Å; C383-L396 HydrophobicContact CB-CD1 3.66Å; F390-L396 HydrophobicContact CB-CB 4.3Å; F390-L396 HydrophobicContact CD2-CB 4.13Å; F390-L396 HydrophobicContact CD2-CD1 4.13Å; F390-L396 HydrophobicContact CE2-CD1 4.46Å; F390-L396 HydrophobicContact CG-CB 4.35Å; C392-L396 PolarHBondContact O-N 3.16Å; R393-L396 PolarHBondContact O-N 3.05Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 2.87Å; L396-H399 CarbonylContact O-C 3.48Å; L396-H399 WeakPolarHBondContact O-CA 3.37Å; L396-H399 WeakPolarHBondContact O-CB 3.39Å; L396-H399 PolarHBondContact O-N 3.49Å; L396-R400 HydrophobicContact CD1-CG 4.31Å; L396-R400 PolarHBondContact O-N 3.02Å
397	M	70.4	Confident	71.4	Confident	116 Å²	116	81.8 Å²	81.8	57%	0.571	41%	0.412	S	S	*	.	H	α-helix	trans	-59	-45	178.6	-169.4	68.8	-169.6	0	0	111.5	R393 M394 H399 R400 V401	R393-M397 PolarHBondContact O-N 3.45Å; M394-M397 PolarHBondContact O-N 3.18Å; M397-H399 PolarHBondContact O-N 3.24Å; M397-R400 PolarHBondContact O-N 2.57Å; M397-V401 WeakPolarHBondContact O-CG2 3.33Å
398	Q	73.4	Confident	71.3	Confident	101 Å²	101	78 Å²	78	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-60.4	-29.5	172.3	164.2	170.3	-9.8	0	0	113.1	M394 L396 L420	M394-Q398 VanDerWaalsContact O-CB 3.25Å; M394-Q398 WeakPolarHBondContact O-CB 3.23Å; M394-Q398 PolarHBondContact O-N 2.83Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-Q398 PolarHBondContact O-N 2.87Å; Q398-L420 HydrophobicContact CB-CD2 4.21Å; Q398-L420 HydrophobicContact CG-CD1 3.8Å; Q398-L420 HydrophobicContact CG-CD2 3.94Å; Q398-L420 HydrophobicContact CG-CG 4.42Å
399	H	77.9	Confident	71.5	Confident	16 Å²	16	75.5 Å²	75.5	7%	0.074	39%	0.385	C	S	.	.	H	α-helix	trans	-80.6	-33.8	178.2	176.6	42.1	0	0	0	113.4	C386 F390 G395 L396 M397 V401 V402 H403	C386-H399 PolarHBondContact SG-NE2 3.38Å; F390-H399 HydrophobicContact CE1-CB 3.96Å; F390-H399 HydrophobicContact CE2-CB 3.73Å; F390-H399 AromaticContact CE2-CD2 3.21Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.44Å; F390-H399 AromaticContact CE2-CG 3.6Å; F390-H399 HydrophobicContact CZ-CB 3.39Å; F390-H399 AromaticContact CZ-CD2 3.38Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.32Å; F390-H399 AromaticContact CZ-CG 3.3Å; G395-H399 WeakPolarHBondContact O-CB 3.25Å; G395-H399 PolarHBondContact O-N 3.28Å; L396-H399 CarbonylContact O-C 3.48Å; L396-H399 WeakPolarHBondContact O-CA 3.37Å; L396-H399 WeakPolarHBondContact O-CB 3.39Å; L396-H399 PolarHBondContact O-N 3.49Å; M397-H399 PolarHBondContact O-N 3.24Å; H399-V401 PolarHBondContact O-N 2.98Å; H399-V401 VanDerWaalsContact O-N 3.14Å; H399-V402 WeakPolarHBondContact O-CB 3.48Å; H399-V402 WeakPolarHBondContact O-CG2 3.47Å; H399-V402 PolarHBondContact O-N 2.88Å; H399-H403 AromaticContact CD2-NE2 3.24Å; H399-H403 PolarHBondContact CD2-NE2 3.25Å; H399-H403 AromaticContact CE1-CD2 3.92Å; H399-H403 AromaticContact CE1-NE2 3Å; H399-H403 PolarHBondContact CE1-NE2 3.37Å; H399-H403 AromaticContact NE2-CD2 3.79Å; H399-H403 AromaticContact NE2-NE2 2.35Å; H399-H403 PolarHBondContact NE2-NE2 3.26Å
400	R	71.8	Confident	71.3	Confident	109 Å²	109	79 Å²	79	41%	0.411	41%	0.405	S	S	.	.	H	α-helix	trans	-57.3	-30.6	178.1	-67.8	-169.4	73.8	-134.6	-1	112.8	E385 L396 M397 V402 H403 S404	E385-R400 IonicContact OE1-CZ 2.64Å; E385-R400 IonicContact OE1-NE 2.67Å; E385-R400 PolarHBondContact OE1-NE 3.04Å; E385-R400 IonicContact OE1-NH2 3.95Å; E385-R400 PolarHBondContact OE1-NH2 3.38Å; L396-R400 HydrophobicContact CD1-CG 4.31Å; L396-R400 PolarHBondContact O-N 3.02Å; M397-R400 PolarHBondContact O-N 2.57Å; R400-V402 PolarHBondContact O-N 3.17Å; R400-V402 VanDerWaalsContact O-N 3.07Å; R400-H403 PolarHBondContact O-N 3.26Å; R400-S404 PolarHBondContact O-N 2.9Å
401	V	71.9	Confident	71.3	Confident	35 Å²	35	76.5 Å²	76.5	21%	0.212	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.3	172.1	-158	0	0	0	0	113.8	M397 H399 E406	M397-V401 WeakPolarHBondContact O-CG2 3.33Å; H399-V401 PolarHBondContact O-N 2.98Å; H399-V401 VanDerWaalsContact O-N 3.14Å; V401-E406 WeakPolarHBondContact CG1-O 3.48Å
402	V	70.3	Confident	71.6	Confident	104 Å²	104	81.8 Å²	81.8	63%	0.63	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-27.4	172.1	-176.3	0	0	0	0	111.6	H399 R400	H399-V402 WeakPolarHBondContact O-CB 3.48Å; H399-V402 WeakPolarHBondContact O-CG2 3.47Å; H399-V402 PolarHBondContact O-N 2.88Å; R400-V402 PolarHBondContact O-N 3.17Å; R400-V402 VanDerWaalsContact O-N 3.07Å
403	H	71.4	Confident	71.7	Confident	77 Å²	77	82.9 Å²	82.9	36%	0.356	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-47.4	-179.1	-63.7	-69	0	0	0	112.1	C383 E385 C386 H399 R400 G405	C383-H403 PolarHBondContact SG-NE2 3.04Å; E385-H403 HydrophobicContact CB-CB 4.25Å; E385-H403 PolarHBondContact O-CE1 3.17Å; E385-H403 WeakPolarHBondContact OE2-CB 3.42Å; E385-H403 IonicContact OE2-CD2 2.69Å; E385-H403 IonicContact OE2-CG 3.07Å; C386-H403 WeakPolarHBondContact CB-CE1 3.46Å; C386-H403 PolarHBondContact SG-CE1 2.92Å; C386-H403 PolarHBondContact SG-NE2 3.4Å; H399-H403 AromaticContact CD2-NE2 3.24Å; H399-H403 PolarHBondContact CD2-NE2 3.25Å; H399-H403 AromaticContact CE1-CD2 3.92Å; H399-H403 AromaticContact CE1-NE2 3Å; H399-H403 PolarHBondContact CE1-NE2 3.37Å; H399-H403 AromaticContact NE2-CD2 3.79Å; H399-H403 AromaticContact NE2-NE2 2.35Å; H399-H403 PolarHBondContact NE2-NE2 3.26Å; R400-H403 PolarHBondContact O-N 3.26Å; H403-G405 PolarHBondContact O-N 2.99Å
404	S	66.1	Low	71.7	Confident	57 Å²	57	77 Å²	77	40%	0.399	41%	0.411	S	S	.	.	S	Bend	trans	-65.9	-19.5	176.7	67.6	0	0	0	0	112.9	R400 E406	R400-S404 PolarHBondContact O-N 2.9Å; S404-E406 WeakPolarHBondContact CB-OE2 3.41Å; S404-E406 PolarHBondContact O-N 2.94Å; S404-E406 PolarHBondContact OG-OE2 2.97Å
405	G	63.8	Low	71.8	Confident	42 Å²	42	73.3 Å²	73.3	43%	0.433	41%	0.407	S	S	.	.			trans	71.2	-16.9	178.6	0	0	0	0	0	114.6	H403	H403-G405 PolarHBondContact O-N 2.99Å
406	E	63.1	Low	71.7	Confident	125 Å²	125	77.1 Å²	77.1	58%	0.584	42%	0.423	S	S	*	.			trans	-46.3	137.5	171.3	-63.2	164.3	149	0	0	111.2	V401 S404	V401-E406 WeakPolarHBondContact CG1-O 3.48Å; S404-E406 WeakPolarHBondContact CB-OE2 3.41Å; S404-E406 PolarHBondContact O-N 2.94Å; S404-E406 PolarHBondContact OG-OE2 2.97Å
407	K	70.6	Confident	71.7	Confident	119 Å²	119	78.2 Å²	78.2	52%	0.517	43%	0.433	S	S	.	.			trans	-133.4	75	178.8	-75.2	154.4	-174.6	168.1	0	108.6	F409 F418	K407-F409 PolarHBondContact O-N 3.21Å; K407-F418 CarbonylContact C-O 3.46Å; K407-F418 VanDerWaalsContact C-O 3.3Å; K407-F418 WeakPolarHBondContact CA-O 3.47Å
408	P	71.7	Confident	71.9	Confident	86 Å²	86	74.9 Å²	74.9	56%	0.558	42%	0.416	S	S	*	.			trans	-62.8	-12.6	-167.7	-24	35.3	0	0	0	114.7
409	F	75.6	Confident	71.8	Confident	68 Å²	68	71.1 Å²	71.1	30%	0.298	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	82.6	-177.1	-52.4	-75.9	0	0	0	109.6	K407 F418 K421 L424	K407-F409 PolarHBondContact O-N 3.21Å; F409-F418 WeakPolarHBondContact CB-O 3.39Å; F409-F418 WeakPolarHBondContact CD2-O 3.24Å; F409-F418 PolarHBondContact N-O 3.08Å; F409-F418 VanDerWaalsContact N-O 3.14Å; F409-F418 PolarHBondContact O-N 2.76Å; F409-K421 HydrophobicContact CD1-CB 3.76Å; F409-K421 HydrophobicContact CD1-CD 4.49Å; F409-K421 HydrophobicContact CD1-CG 4.08Å; F409-K421 VanDerWaalsContact CD2-N 3.26Å; F409-K421 HydrophobicContact CE1-CB 3.7Å; F409-K421 HydrophobicContact CE1-CD 4.19Å; F409-K421 HydrophobicContact CE1-CG 4.16Å; F409-K421 HydrophobicContact CE2-CB 4.45Å; F409-K421 HydrophobicContact CG-CB 4.18Å; F409-K421 HydrophobicContact CZ-CB 4.06Å; F409-L424 HydrophobicContact CB-CB 3.87Å; F409-L424 HydrophobicContact CB-CD2 3.76Å; F409-L424 HydrophobicContact CB-CG 4.43Å
410	T	73.9	Confident	71.6	Confident	87 Å²	87	72.1 Å²	72.1	53%	0.534	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	145.9	175.1	46.8	0	0	0	0	112.4	L424	T410-L424 VanDerWaalsContact O-CD2 3.32Å; T410-L424 WeakPolarHBondContact O-CD2 3.27Å
411	C	77.8	Confident	71.6	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.014	42%	0.418	C	S	.	.			trans	-93.4	114.4	171.1	-177.8	0	0	0	0	110.3	T413 C414 G415 L416 F418 L424 H427 H431	C411-T413 VanDerWaalsContact C-N 3.25Å; C411-T413 PolarHBondContact O-N 2.97Å; C411-C414 PolarHBondContact O-N 3.14Å; C411-G415 WeakPolarHBondContact O-CA 3.48Å; C411-G415 PolarHBondContact O-N 2.94Å; C411-L416 VanDerWaalsContact CB-O 3.29Å; C411-L416 WeakPolarHBondContact CB-O 3.4Å; C411-L416 PolarHBondContact N-O 2.87Å; C411-F418 HydrophobicContact CB-CE2 4.46Å; C411-L424 HydrophobicContact CB-CD1 3.65Å; C411-H427 VanDerWaalsContact SG-CD2 3.51Å; C411-H427 PolarHBondContact SG-NE2 2.84Å; C411-H431 PolarHBondContact SG-NE2 2.88Å
412	H	73.3	Confident	71.7	Confident	167 Å²	167	78.2 Å²	78.2	77%	0.773	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.4	178.1	63.5	84.6	0	0	0	112.7	C414	H412-C414 PolarHBondContact O-N 3.28Å
413	T	71	Confident	72	Confident	72 Å²	72	74.8 Å²	74.8	44%	0.442	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.3	-176.2	-34.9	0	0	0	0	114.2	C411 H431	C411-T413 VanDerWaalsContact C-N 3.25Å; C411-T413 PolarHBondContact O-N 2.97Å; T413-H431 HydrophobicContact CG2-CB 4.08Å
414	C	72.3	Confident	72.2	Confident	59 Å²	59	72 Å²	72	40%	0.399	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	12.1	-177.6	73.7	0	0	0	0	116.4	C411 H412 L416 H427 H431	C411-C414 PolarHBondContact O-N 3.14Å; H412-C414 PolarHBondContact O-N 3.28Å; C414-L416 PolarHBondContact O-N 3.45Å; C414-L416 VanDerWaalsContact O-N 3.09Å; C414-H427 PolarHBondContact SG-NE2 3.2Å; C414-H431 PolarHBondContact SG-NE2 3.37Å; C414-H431 VanDerWaalsContact SG-NE2 3.36Å
415	G	72.5	Confident	72.5	Confident	54 Å²	54	73.9 Å²	73.9	56%	0.557	40%	0.402	S	S	*	.			trans	68.9	1.7	177.3	0	0	0	0	0	115.9	C411 S417	C411-G415 WeakPolarHBondContact O-CA 3.48Å; C411-G415 PolarHBondContact O-N 2.94Å; G415-S417 PolarHBondContact O-N 3.45Å
416	L	71.9	Confident	72.9	Confident	95 Å²	95	77.1 Å²	77.1	50%	0.497	40%	0.401	S	S	.	.			trans	-73.9	121.1	-179.6	-72.2	-180	0	0	0	111.8	C411 C414 F418	C411-L416 VanDerWaalsContact CB-O 3.29Å; C411-L416 WeakPolarHBondContact CB-O 3.4Å; C411-L416 PolarHBondContact N-O 2.87Å; C414-L416 PolarHBondContact O-N 3.45Å; C414-L416 VanDerWaalsContact O-N 3.09Å; L416-F418 HydrophobicContact CB-CE2 3.89Å; L416-F418 HydrophobicContact CB-CZ 4.01Å; L416-F418 WeakPolarHBondContact O-CD2 3.33Å; L416-F418 VanDerWaalsContact O-CE2 3.23Å; L416-F418 WeakPolarHBondContact O-CE2 3.43Å
417	S	75.6	Confident	73.5	Confident	52 Å²	52	72.2 Å²	72.2	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.4	-178.9	-30	0	0	0	0	112.1	G415	G415-S417 PolarHBondContact O-N 3.45Å
418	F	75.2	Confident	73.7	Confident	46 Å²	46	67.9 Å²	67.9	20%	0.202	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.2	178.3	-57.6	-89	0	0	0	111.5	K407 F409 C411 L416 L420 N423 L424 H427	K407-F418 CarbonylContact C-O 3.46Å; K407-F418 VanDerWaalsContact C-O 3.3Å; K407-F418 WeakPolarHBondContact CA-O 3.47Å; F409-F418 WeakPolarHBondContact CB-O 3.39Å; F409-F418 WeakPolarHBondContact CD2-O 3.24Å; F409-F418 PolarHBondContact N-O 3.08Å; F409-F418 VanDerWaalsContact N-O 3.14Å; F409-F418 PolarHBondContact O-N 2.76Å; C411-F418 HydrophobicContact CB-CE2 4.46Å; L416-F418 HydrophobicContact CB-CE2 3.89Å; L416-F418 HydrophobicContact CB-CZ 4.01Å; L416-F418 WeakPolarHBondContact O-CD2 3.33Å; L416-F418 VanDerWaalsContact O-CE2 3.23Å; L416-F418 WeakPolarHBondContact O-CE2 3.43Å; F418-L420 PolarHBondContact O-N 3.3Å; F418-N423 HydrophobicContact CB-CB 4.05Å; F418-N423 HydrophobicContact CD1-CB 3.91Å; F418-N423 HydrophobicContact CG-CB 4.2Å; F418-L424 HydrophobicContact CB-CB 4.32Å; F418-L424 HydrophobicContact CD2-CB 3.91Å; F418-L424 HydrophobicContact CD2-CD1 3.92Å; F418-L424 HydrophobicContact CE2-CD1 4.15Å; F418-L424 HydrophobicContact CG-CB 4.35Å; F418-H427 HydrophobicContact CE1-CB 4.19Å; F418-H427 HydrophobicContact CE2-CB 3.81Å; F418-H427 AromaticContact CE2-CD2 3.42Å; F418-H427 VanDerWaalsContact CE2-CD2 3.42Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.45Å; F418-H427 AromaticContact CE2-CG 3.58Å; F418-H427 HydrophobicContact CZ-CB 3.53Å; F418-H427 AromaticContact CZ-CD2 3.66Å; F418-H427 AromaticContact CZ-CG 3.34Å; F418-H427 AromaticContact CZ-ND1 3.78Å
419	G	69.9	Low	73.7	Confident	22 Å²	22	65.9 Å²	65.9	23%	0.227	34%	0.343	C	S	.	.	S	Bend	trans	-73.6	-4.8	175.7	0	0	0	0	0	115.1
420	L	73.7	Confident	73.2	Confident	37 Å²	37	68.4 Å²	68.4	19%	0.194	36%	0.359	C	S	.	.	S	Bend	trans	-145.8	133.9	-176.8	-62.7	169.1	0	0	0	111.8	Q398 F418 Y422 N423 L424	Q398-L420 HydrophobicContact CB-CD2 4.21Å; Q398-L420 HydrophobicContact CG-CD1 3.8Å; Q398-L420 HydrophobicContact CG-CD2 3.94Å; Q398-L420 HydrophobicContact CG-CG 4.42Å; F418-L420 PolarHBondContact O-N 3.3Å; L420-Y422 HydrophobicContact CB-CD1 3.93Å; L420-Y422 HydrophobicContact CB-CE1 4.28Å; L420-Y422 HydrophobicContact CD1-CD1 4.01Å; L420-Y422 HydrophobicContact CD1-CE1 3.61Å; L420-Y422 PolarHBondContact O-N 2.77Å; L420-Y422 VanDerWaalsContact O-N 3.14Å; L420-N423 WeakPolarHBondContact O-CB 3.47Å; L420-N423 PolarHBondContact O-N 3.01Å; L420-L424 PolarHBondContact O-N 3.28Å
421	K	72.9	Confident	73	Confident	136 Å²	136	67.7 Å²	67.7	59%	0.591	35%	0.35	S	S	*	.	H	α-helix	trans	-52.2	-37.4	178.3	-165.4	164.8	-176.3	165	0	113.2	F409 N423 L424 Q425	F409-K421 HydrophobicContact CD1-CB 3.76Å; F409-K421 HydrophobicContact CD1-CD 4.49Å; F409-K421 HydrophobicContact CD1-CG 4.08Å; F409-K421 VanDerWaalsContact CD2-N 3.26Å; F409-K421 HydrophobicContact CE1-CB 3.7Å; F409-K421 HydrophobicContact CE1-CD 4.19Å; F409-K421 HydrophobicContact CE1-CG 4.16Å; F409-K421 HydrophobicContact CE2-CB 4.45Å; F409-K421 HydrophobicContact CG-CB 4.18Å; F409-K421 HydrophobicContact CZ-CB 4.06Å; K421-N423 PolarHBondContact O-N 3.2Å; K421-L424 PolarHBondContact O-N 3.14Å; K421-Q425 HydrophobicContact CG-CG 4.47Å; K421-Q425 WeakPolarHBondContact O-CB 3.47Å; K421-Q425 VanDerWaalsContact O-CG 3.22Å; K421-Q425 WeakPolarHBondContact O-CG 3.44Å; K421-Q425 PolarHBondContact O-N 2.96Å
422	Y	73.5	Confident	72.4	Confident	135 Å²	135	72.2 Å²	72.2	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-67	-33.1	178.4	101.2	-98.9	0	0	0	113.2	L420 R426	L420-Y422 HydrophobicContact CB-CD1 3.93Å; L420-Y422 HydrophobicContact CB-CE1 4.28Å; L420-Y422 HydrophobicContact CD1-CD1 4.01Å; L420-Y422 HydrophobicContact CD1-CE1 3.61Å; L420-Y422 PolarHBondContact O-N 2.77Å; L420-Y422 VanDerWaalsContact O-N 3.14Å; Y422-R426 WeakPolarHBondContact O-CB 3.31Å; Y422-R426 PolarHBondContact O-N 3.5Å
423	N	75.8	Confident	71.9	Confident	33 Å²	33	66.7 Å²	66.7	18%	0.176	36%	0.362	C	S	.	.	H	α-helix	trans	-72.5	-42	177.6	-82.6	-42.3	0	0	0	110.8	F418 L420 K421 R426 H427	F418-N423 HydrophobicContact CB-CB 4.05Å; F418-N423 HydrophobicContact CD1-CB 3.91Å; F418-N423 HydrophobicContact CG-CB 4.2Å; L420-N423 WeakPolarHBondContact O-CB 3.47Å; L420-N423 PolarHBondContact O-N 3.01Å; K421-N423 PolarHBondContact O-N 3.2Å; N423-R426 PolarHBondContact O-N 3.36Å; N423-R426 PolarHBondContact OD1-NH2 2.86Å; N423-H427 WeakPolarHBondContact O-CB 3.48Å; N423-H427 PolarHBondContact O-N 2.94Å
424	L	75.9	Confident	71.4	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-48.8	171	172	62.3	0	0	0	110.7	F409 T410 C411 F418 L420 K421 R426 H427 L428	F409-L424 HydrophobicContact CB-CB 3.87Å; F409-L424 HydrophobicContact CB-CD2 3.76Å; F409-L424 HydrophobicContact CB-CG 4.43Å; T410-L424 VanDerWaalsContact O-CD2 3.32Å; T410-L424 WeakPolarHBondContact O-CD2 3.27Å; C411-L424 HydrophobicContact CB-CD1 3.65Å; F418-L424 HydrophobicContact CB-CB 4.32Å; F418-L424 HydrophobicContact CD2-CB 3.91Å; F418-L424 HydrophobicContact CD2-CD1 3.92Å; F418-L424 HydrophobicContact CE2-CD1 4.15Å; F418-L424 HydrophobicContact CG-CB 4.35Å; L420-L424 PolarHBondContact O-N 3.28Å; K421-L424 PolarHBondContact O-N 3.14Å; L424-R426 PolarHBondContact O-N 3.41Å; L424-H427 CarbonylContact O-C 3.59Å; L424-H427 WeakPolarHBondContact O-CA 3.18Å; L424-H427 WeakPolarHBondContact O-CB 3.21Å; L424-H427 PolarHBondContact O-N 3.23Å; L424-L428 HydrophobicContact CD1-CD1 4.33Å; L424-L428 HydrophobicContact CD1-CD2 4.42Å; L424-L428 HydrophobicContact CD1-CG 4.11Å; L424-L428 HydrophobicContact CG-CD1 4.16Å; L424-L428 HydrophobicContact CG-CG 4.4Å; L424-L428 WeakPolarHBondContact O-CG 3.45Å; L424-L428 PolarHBondContact O-N 2.86Å
425	Q	72.4	Confident	71.2	Confident	96 Å²	96	70.1 Å²	70.1	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-48.8	179.2	-73.9	-74.5	-54.8	0	0	111.7	K421 H427 L428 H429	K421-Q425 HydrophobicContact CG-CG 4.47Å; K421-Q425 WeakPolarHBondContact O-CB 3.47Å; K421-Q425 VanDerWaalsContact O-CG 3.22Å; K421-Q425 WeakPolarHBondContact O-CG 3.44Å; K421-Q425 PolarHBondContact O-N 2.96Å; Q425-H427 PolarHBondContact O-N 3.44Å; Q425-L428 PolarHBondContact O-N 2.85Å; Q425-H429 PolarHBondContact O-CE1 3.39Å; Q425-H429 PolarHBondContact O-ND1 3.14Å
426	R	72.3	Confident	71.1	Confident	110 Å²	110	71.1 Å²	71.1	42%	0.415	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-28.9	173.6	-169.4	-175.5	64.2	-132.9	-17.8	113	Y422 N423 L424	Y422-R426 WeakPolarHBondContact O-CB 3.31Å; Y422-R426 PolarHBondContact O-N 3.5Å; N423-R426 PolarHBondContact O-N 3.36Å; N423-R426 PolarHBondContact OD1-NH2 2.86Å; L424-R426 PolarHBondContact O-N 3.41Å
427	H	76.5	Confident	71	Confident	21 Å²	21	69.5 Å²	69.5	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-75.6	-37.2	176	168.7	71.2	0	0	0	112.9	C411 C414 F418 N423 L424 Q425 H429 L430 H431	C411-H427 VanDerWaalsContact SG-CD2 3.51Å; C411-H427 PolarHBondContact SG-NE2 2.84Å; C414-H427 PolarHBondContact SG-NE2 3.2Å; F418-H427 HydrophobicContact CE1-CB 4.19Å; F418-H427 HydrophobicContact CE2-CB 3.81Å; F418-H427 AromaticContact CE2-CD2 3.42Å; F418-H427 VanDerWaalsContact CE2-CD2 3.42Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.45Å; F418-H427 AromaticContact CE2-CG 3.58Å; F418-H427 HydrophobicContact CZ-CB 3.53Å; F418-H427 AromaticContact CZ-CD2 3.66Å; F418-H427 AromaticContact CZ-CG 3.34Å; F418-H427 AromaticContact CZ-ND1 3.78Å; N423-H427 WeakPolarHBondContact O-CB 3.48Å; N423-H427 PolarHBondContact O-N 2.94Å; L424-H427 CarbonylContact O-C 3.59Å; L424-H427 WeakPolarHBondContact O-CA 3.18Å; L424-H427 WeakPolarHBondContact O-CB 3.21Å; L424-H427 PolarHBondContact O-N 3.23Å; Q425-H427 PolarHBondContact O-N 3.44Å; H427-H429 PolarHBondContact O-N 2.77Å; H427-L430 VanDerWaalsContact O-CB 3.23Å; H427-L430 WeakPolarHBondContact O-CB 3.43Å; H427-L430 WeakPolarHBondContact O-CG 3.38Å; H427-L430 PolarHBondContact O-N 2.85Å; H427-H431 AromaticContact CD2-NE2 3.89Å; H427-H431 AromaticContact CE1-NE2 3.35Å; H427-H431 PolarHBondContact CE1-NE2 2.99Å; H427-H431 AromaticContact NE2-CD2 3.72Å; H427-H431 AromaticContact NE2-NE2 2.97Å; H427-H431 PolarHBondContact NE2-NE2 3.39Å
428	L	73.3	Confident	70.8	Confident	29 Å²	29	76.1 Å²	76.1	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-32.3	177.8	-71.2	168.9	0	0	0	112.8	L424 Q425 L430 H431 N432	L424-L428 HydrophobicContact CD1-CD1 4.33Å; L424-L428 HydrophobicContact CD1-CD2 4.42Å; L424-L428 HydrophobicContact CD1-CG 4.11Å; L424-L428 HydrophobicContact CG-CD1 4.16Å; L424-L428 HydrophobicContact CG-CG 4.4Å; L424-L428 WeakPolarHBondContact O-CG 3.45Å; L424-L428 PolarHBondContact O-N 2.86Å; Q425-L428 PolarHBondContact O-N 2.85Å; L428-L430 PolarHBondContact O-N 2.84Å; L428-H431 PolarHBondContact O-N 3.42Å; L428-N432 PolarHBondContact O-N 2.87Å; L428-N432 PolarHBondContact O-OD1 3.1Å
429	H	72.5	Confident	70.5	Confident	43 Å²	43	74.1 Å²	74.1	20%	0.199	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.1	170.8	-67.6	82.8	0	0	0	114	Q425 H427 G433 E434 P436	Q425-H429 PolarHBondContact O-CE1 3.39Å; Q425-H429 PolarHBondContact O-ND1 3.14Å; H427-H429 PolarHBondContact O-N 2.77Å; H429-G433 PolarHBondContact O-N 3.48Å; H429-E434 WeakPolarHBondContact CB-O 3.26Å; H429-E434 PolarHBondContact CD2-O 3.46Å; H429-P436 WeakPolarHBondContact NE2-CG 3.4Å
430	L	64.8	Low	70.5	Confident	121 Å²	121	80.9 Å²	80.9	63%	0.634	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-21	174.8	-56.7	174.7	0	0	0	113	H427 L428	H427-L430 VanDerWaalsContact O-CB 3.23Å; H427-L430 WeakPolarHBondContact O-CB 3.43Å; H427-L430 WeakPolarHBondContact O-CG 3.38Å; H427-L430 PolarHBondContact O-N 2.85Å; L428-L430 PolarHBondContact O-N 2.84Å
431	H	69.3	Low	69.8	Low	72 Å²	72	84.6 Å²	84.6	33%	0.333	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-46.6	175.6	-62.6	-61	0	0	0	111.2	C411 T413 C414 H427 L428 G433	C411-H431 PolarHBondContact SG-NE2 2.88Å; T413-H431 HydrophobicContact CG2-CB 4.08Å; C414-H431 PolarHBondContact SG-NE2 3.37Å; C414-H431 VanDerWaalsContact SG-NE2 3.36Å; H427-H431 AromaticContact CD2-NE2 3.89Å; H427-H431 AromaticContact CE1-NE2 3.35Å; H427-H431 PolarHBondContact CE1-NE2 2.99Å; H427-H431 AromaticContact NE2-CD2 3.72Å; H427-H431 AromaticContact NE2-NE2 2.97Å; H427-H431 PolarHBondContact NE2-NE2 3.39Å; L428-H431 PolarHBondContact O-N 3.42Å; H431-G433 PolarHBondContact O-N 2.79Å
432	N	65.9	Low	69.5	Low	98 Å²	98	81.3 Å²	81.3	52%	0.524	40%	0.395	S	S	.	.	S	Bend	trans	-73.2	-10.7	-178.8	-61.9	22.8	0	0	0	113.1	L428 E434	L428-N432 PolarHBondContact O-N 2.87Å; L428-N432 PolarHBondContact O-OD1 3.1Å; N432-E434 HydrophobicContact CB-CB 4.26Å; N432-E434 HydrophobicContact CB-CG 3.84Å; N432-E434 VanDerWaalsContact CB-OE1 3.29Å; N432-E434 WeakPolarHBondContact CB-OE1 3.4Å; N432-E434 PolarHBondContact ND2-OE1 3.12Å; N432-E434 PolarHBondContact O-N 3.46Å
433	G	61.9	Low	69.2	Low	50 Å²	50	77.1 Å²	77.1	52%	0.515	39%	0.393	S	S	.	.			trans	68.9	-4.8	-171.1	0	0	0	0	0	114.5	H429 H431 K435	H429-G433 PolarHBondContact O-N 3.48Å; H431-G433 PolarHBondContact O-N 2.79Å; G433-K435 PolarHBondContact O-N 3.26Å
434	E	60.5	Low	68.7	Low	98 Å²	98	80.1 Å²	80.1	46%	0.458	41%	0.406	S	S	.	.			trans	-55.7	124.9	-178.7	-75.8	174.7	-125.8	0	0	112	H429 N432	H429-E434 WeakPolarHBondContact CB-O 3.26Å; H429-E434 PolarHBondContact CD2-O 3.46Å; N432-E434 HydrophobicContact CB-CB 4.26Å; N432-E434 HydrophobicContact CB-CG 3.84Å; N432-E434 VanDerWaalsContact CB-OE1 3.29Å; N432-E434 WeakPolarHBondContact CB-OE1 3.4Å; N432-E434 PolarHBondContact ND2-OE1 3.12Å; N432-E434 PolarHBondContact O-N 3.46Å
435	K	69.7	Low	68.4	Low	106 Å²	106	79.6 Å²	79.6	46%	0.461	41%	0.405	S	S	.	.			trans	-128.6	76.3	-178.3	-78.9	163.3	163.8	-120.8	0	109.2	G433 H437 G445 F446	G433-K435 PolarHBondContact O-N 3.26Å; K435-H437 PolarHBondContact O-N 2.82Å; K435-G445 WeakPolarHBondContact CD-O 3.48Å; K435-G445 VanDerWaalsContact CE-O 3.26Å; K435-G445 WeakPolarHBondContact CE-O 3.35Å; K435-G445 WeakPolarHBondContact CG-O 3.5Å; K435-G445 PolarHBondContact NZ-O 3.11Å; K435-F446 CarbonylContact C-O 3.34Å
436	P	69.1	Low	68.5	Low	74 Å²	74	76.5 Å²	76.5	48%	0.481	39%	0.39	S	S	.	.			trans	-68.6	-9.8	-169.3	-18.4	32.3	0	0	0	114.1	H429	H429-P436 WeakPolarHBondContact NE2-CG 3.4Å
437	H	70.1	Confident	68.1	Low	61 Å²	61	73 Å²	73	28%	0.282	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	84.8	-177.3	-55.6	-52.7	0	0	0	109.1	K435 F446 T449 L452	K435-H437 PolarHBondContact O-N 2.82Å; H437-F446 PolarHBondContact N-O 3.03Å; H437-F446 WeakPolarHBondContact O-CD2 3.24Å; H437-F446 PolarHBondContact O-N 2.84Å; H437-T449 PolarHBondContact CD2-N 3.25Å; H437-T449 VanDerWaalsContact CD2-N 3.28Å; H437-T449 VanDerWaalsContact CE1-CG2 3.43Å; H437-T449 WeakPolarHBondContact CE1-CG2 3.42Å; H437-T449 WeakPolarHBondContact NE2-CG2 3.35Å; H437-L452 HydrophobicContact CB-CB 3.97Å; H437-L452 HydrophobicContact CB-CD2 3.79Å; H437-L452 HydrophobicContact CB-CG 4.49Å
438	R	71.2	Confident	67.8	Low	192 Å²	192	72.8 Å²	72.8	73%	0.725	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	144.3	173.3	-66.1	-174.6	-178.9	-176.3	-1	111.4	E444	R438-E444 CarbonylContact C-O 3.52Å; R438-E444 WeakPolarHBondContact CA-O 3.4Å
439	C	69.4	Low	67.3	Low	3 Å²	3	75.5 Å²	75.5	2%	0.02	40%	0.404	C	S	.	.			trans	-72.3	129	164	-178.4	0	0	0	0	109.4	Q441 G443 E444 L452 M456 H459	C439-Q441 PolarHBondContact O-N 2.91Å; C439-Q441 PolarHBondContact SG-N 2.85Å; C439-G443 WeakPolarHBondContact O-CA 3.44Å; C439-G443 PolarHBondContact O-N 3.08Å; C439-E444 PolarHBondContact N-O 3.09Å; C439-L452 HydrophobicContact CB-CD1 3.92Å; C439-M456 HydrophobicContact CB-SD 4.36Å; C439-M456 PolarHBondContact SG-SD 2.99Å; C439-H459 VanDerWaalsContact SG-CD2 3.58Å; C439-H459 PolarHBondContact SG-NE2 3.36Å; C439-H459 VanDerWaalsContact SG-NE2 3.39Å
440	H	69	Low	66.9	Low	164 Å²	164	83 Å²	83	76%	0.759	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.5	175.2	59.1	-100.1	0	0	0	112.9
441	Q	60.6	Low	67	Low	116 Å²	116	79 Å²	79	54%	0.542	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-17.9	-172	-164	167.7	0.8	0	0	113.9	C439 H459	C439-Q441 PolarHBondContact O-N 2.91Å; C439-Q441 PolarHBondContact SG-N 2.85Å; Q441-H459 HydrophobicContact CG-CB 4.38Å
442	C	66.8	Low	66.9	Low	66 Å²	66	77.1 Å²	77.1	45%	0.446	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	4.5	175	72.8	0	0	0	0	114.8	E444 H455 H459	C442-E444 PolarHBondContact O-N 3.07Å; C442-E444 VanDerWaalsContact O-N 3.07Å; C442-H455 PolarHBondContact SG-NE2 2.89Å; C442-H459 PolarHBondContact SG-NE2 3.31Å; C442-H459 VanDerWaalsContact SG-NE2 3.44Å
443	G	66.8	Low	66.8	Low	48 Å²	48	79.8 Å²	79.8	50%	0.495	41%	0.414	S	S	.	.			trans	72.7	-11.6	-178	0	0	0	0	0	116.1	C439 G445	C439-G443 WeakPolarHBondContact O-CA 3.44Å; C439-G443 PolarHBondContact O-N 3.08Å; G443-G445 PolarHBondContact O-N 3.13Å
444	E	64.6	Low	66.8	Low	96 Å²	96	78.9 Å²	78.9	45%	0.449	40%	0.399	S	S	.	.			trans	-60.8	126.7	-174.5	-166.9	178.5	-170.6	0	0	111.5	R438 C439 C442 F446 H455	R438-E444 CarbonylContact C-O 3.52Å; R438-E444 WeakPolarHBondContact CA-O 3.4Å; C439-E444 PolarHBondContact N-O 3.09Å; C442-E444 PolarHBondContact O-N 3.07Å; C442-E444 VanDerWaalsContact O-N 3.07Å; E444-F446 HydrophobicContact CB-CE2 4Å; E444-F446 HydrophobicContact CB-CZ 4.01Å; E444-F446 VanDerWaalsContact CD-CZ 3.5Å; E444-F446 HydrophobicContact CG-CE1 4.35Å; E444-F446 HydrophobicContact CG-CE2 4.01Å; E444-F446 HydrophobicContact CG-CZ 3.62Å; E444-F446 WeakPolarHBondContact O-CD2 3.36Å; E444-F446 WeakPolarHBondContact O-CE2 3.41Å; E444-F446 WeakPolarHBondContact OE2-CZ 3.21Å; E444-H455 IonicContact OE2-CE1 2.83Å; E444-H455 PolarHBondContact OE2-CE1 3.42Å; E444-H455 IonicContact OE2-ND1 2.65Å; E444-H455 PolarHBondContact OE2-ND1 3.33Å
445	G	69.6	Low	67.1	Low	7 Å²	7	75.2 Å²	75.2	7%	0.072	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.1	-176.7	0	0	0	0	0	114.2	K435 G443	K435-G445 WeakPolarHBondContact CD-O 3.48Å; K435-G445 VanDerWaalsContact CE-O 3.26Å; K435-G445 WeakPolarHBondContact CE-O 3.35Å; K435-G445 WeakPolarHBondContact CG-O 3.5Å; K435-G445 PolarHBondContact NZ-O 3.11Å; G443-G445 PolarHBondContact O-N 3.13Å
446	F	74	Confident	66.8	Low	31 Å²	31	72.5 Å²	72.5	14%	0.136	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.6	179.8	-59.3	-80.8	0	0	0	112.7	K435 H437 E444 G448 A451 L452 H455	K435-F446 CarbonylContact C-O 3.34Å; H437-F446 PolarHBondContact N-O 3.03Å; H437-F446 WeakPolarHBondContact O-CD2 3.24Å; H437-F446 PolarHBondContact O-N 2.84Å; E444-F446 HydrophobicContact CB-CE2 4Å; E444-F446 HydrophobicContact CB-CZ 4.01Å; E444-F446 VanDerWaalsContact CD-CZ 3.5Å; E444-F446 HydrophobicContact CG-CE1 4.35Å; E444-F446 HydrophobicContact CG-CE2 4.01Å; E444-F446 HydrophobicContact CG-CZ 3.62Å; E444-F446 WeakPolarHBondContact O-CD2 3.36Å; E444-F446 WeakPolarHBondContact O-CE2 3.41Å; E444-F446 WeakPolarHBondContact OE2-CZ 3.21Å; F446-G448 PolarHBondContact O-N 3.02Å; F446-A451 HydrophobicContact CB-CB 4.05Å; F446-A451 HydrophobicContact CD1-CB 4.03Å; F446-A451 HydrophobicContact CG-CB 4.28Å; F446-L452 HydrophobicContact CB-CB 4.26Å; F446-L452 HydrophobicContact CD2-CB 3.98Å; F446-L452 HydrophobicContact CD2-CD1 3.91Å; F446-L452 HydrophobicContact CE2-CD1 4.24Å; F446-L452 HydrophobicContact CG-CB 4.34Å; F446-H455 HydrophobicContact CD2-CB 4.48Å; F446-H455 HydrophobicContact CE1-CB 4.06Å; F446-H455 HydrophobicContact CE2-CB 3.73Å; F446-H455 AromaticContact CE2-CD2 3.54Å; F446-H455 AromaticContact CE2-CG 3.45Å; F446-H455 VanDerWaalsContact CE2-CG 3.45Å; F446-H455 AromaticContact CE2-ND1 3.87Å; F446-H455 AromaticContact CE2-NE2 3.96Å; F446-H455 HydrophobicContact CZ-CB 3.51Å; F446-H455 AromaticContact CZ-CD2 3.8Å; F446-H455 AromaticContact CZ-CE1 3.78Å; F446-H455 AromaticContact CZ-CG 3.26Å; F446-H455 AromaticContact CZ-ND1 3.29Å; F446-H455 VanDerWaalsContact CZ-ND1 3.29Å; F446-H455 WeakPolarHBondContact CZ-ND1 3.5Å
447	S	65.1	Low	66.6	Low	37 Å²	37	71.4 Å²	71.4	26%	0.259	36%	0.361	S	S	.	.	S	Bend	trans	-82.5	13	176.7	55.1	0	0	0	0	114.1
448	G	68.8	Low	66.3	Low	16 Å²	16	73.3 Å²	73.3	17%	0.165	38%	0.377	C	S	.	.	S	Bend	trans	-170.3	143.8	176.4	0	0	0	0	0	113.8	F446 W450 A451 L452	F446-G448 PolarHBondContact O-N 3.02Å; G448-W450 PolarHBondContact O-N 2.89Å; G448-A451 WeakPolarHBondContact O-CB 3.34Å; G448-A451 PolarHBondContact O-N 2.98Å; G448-L452 PolarHBondContact O-N 3.2Å; G448-L452 VanDerWaalsContact O-N 3.13Å
449	T	63.2	Low	66	Low	86 Å²	86	66.7 Å²	66.7	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-57.1	-33	-178.7	53.8	0	0	0	0	113.8	H437 K453	H437-T449 PolarHBondContact CD2-N 3.25Å; H437-T449 VanDerWaalsContact CD2-N 3.28Å; H437-T449 VanDerWaalsContact CE1-CG2 3.43Å; H437-T449 WeakPolarHBondContact CE1-CG2 3.42Å; H437-T449 WeakPolarHBondContact NE2-CG2 3.35Å; T449-K453 WeakPolarHBondContact O-CB 3.47Å; T449-K453 WeakPolarHBondContact O-CG 3.42Å; T449-K453 PolarHBondContact O-N 3.47Å
450	W	64.2	Low	65.4	Low	200 Å²	200	68.2 Å²	68.2	76%	0.758	37%	0.37	S	S	*	.	H	α-helix	trans	-66.9	-44	175.1	-178.7	24.7	0	0	0	111.6	G448 L452 K453 T454	G448-W450 PolarHBondContact O-N 2.89Å; W450-L452 PolarHBondContact O-N 2.67Å; W450-K453 PolarHBondContact O-N 2.89Å; W450-K453 VanDerWaalsContact O-N 3.15Å; W450-T454 PolarHBondContact O-N 3.13Å; W450-T454 PolarHBondContact O-OG1 3.17Å; W450-T454 VanDerWaalsContact O-OG1 3.13Å
451	A	66.8	Low	64.3	Low	37 Å²	37	67.3 Å²	67.3	31%	0.306	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-41.9	178.7	0	0	0	0	0	111.8	F446 G448 T454 H455	F446-A451 HydrophobicContact CB-CB 4.05Å; F446-A451 HydrophobicContact CD1-CB 4.03Å; F446-A451 HydrophobicContact CG-CB 4.28Å; G448-A451 WeakPolarHBondContact O-CB 3.34Å; G448-A451 PolarHBondContact O-N 2.98Å; A451-T454 WeakPolarHBondContact CA-OG1 3.49Å; A451-T454 PolarHBondContact O-N 3.22Å; A451-T454 PolarHBondContact O-OG1 2.89Å; A451-H455 WeakPolarHBondContact O-CB 3.36Å; A451-H455 PolarHBondContact O-N 3.49Å
452	L	66.8	Low	63.9	Low	33 Å²	33	69.3 Å²	69.3	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-59.5	-49.1	170.2	173.1	59.8	0	0	0	111.2	H437 C439 F446 G448 W450 T454 H455 M456	H437-L452 HydrophobicContact CB-CB 3.97Å; H437-L452 HydrophobicContact CB-CD2 3.79Å; H437-L452 HydrophobicContact CB-CG 4.49Å; C439-L452 HydrophobicContact CB-CD1 3.92Å; F446-L452 HydrophobicContact CB-CB 4.26Å; F446-L452 HydrophobicContact CD2-CB 3.98Å; F446-L452 HydrophobicContact CD2-CD1 3.91Å; F446-L452 HydrophobicContact CE2-CD1 4.24Å; F446-L452 HydrophobicContact CG-CB 4.34Å; G448-L452 PolarHBondContact O-N 3.2Å; G448-L452 VanDerWaalsContact O-N 3.13Å; W450-L452 PolarHBondContact O-N 2.67Å; L452-T454 VanDerWaalsContact C-N 3.3Å; L452-T454 PolarHBondContact O-N 3.34Å; L452-H455 CarbonylContact O-C 3.3Å; L452-H455 WeakPolarHBondContact O-CA 3.33Å; L452-H455 WeakPolarHBondContact O-CB 3.05Å; L452-H455 PolarHBondContact O-N 2.9Å; L452-M456 HydrophobicContact CD1-CG 4.26Å; L452-M456 HydrophobicContact CD1-SD 3.98Å; L452-M456 WeakPolarHBondContact O-CG 3.17Å; L452-M456 PolarHBondContact O-N 2.68Å
453	K	64.3	Low	63.3	Low	154 Å²	154	70.1 Å²	70.1	67%	0.67	38%	0.381	S	S	*	.	H	α-helix	trans	-60.3	-36.7	179.2	-78.4	-176.5	175.6	-165.7	0	113.3	T449 W450	T449-K453 WeakPolarHBondContact O-CB 3.47Å; T449-K453 WeakPolarHBondContact O-CG 3.42Å; T449-K453 PolarHBondContact O-N 3.47Å; W450-K453 PolarHBondContact O-N 2.89Å; W450-K453 VanDerWaalsContact O-N 3.15Å
454	T	61.5	Low	62.7	Low	32 Å²	32	71.3 Å²	71.3	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-72	-30.4	173.6	48.6	0	0	0	0	112.8	W450 A451 L452 L457 Y476	W450-T454 PolarHBondContact O-N 3.13Å; W450-T454 PolarHBondContact O-OG1 3.17Å; W450-T454 VanDerWaalsContact O-OG1 3.13Å; A451-T454 WeakPolarHBondContact CA-OG1 3.49Å; A451-T454 PolarHBondContact O-N 3.22Å; A451-T454 PolarHBondContact O-OG1 2.89Å; L452-T454 VanDerWaalsContact C-N 3.3Å; L452-T454 PolarHBondContact O-N 3.34Å; T454-L457 WeakPolarHBondContact O-CB 3.29Å; T454-L457 PolarHBondContact O-N 2.88Å; T454-Y476 WeakPolarHBondContact CB-OH 3.27Å; T454-Y476 HydrophobicContact CG2-CE1 3.72Å
455	H	67.9	Low	62.4	Low	21 Å²	21	70 Å²	70	10%	0.097	37%	0.373	C	S	.	.	H	α-helix	trans	-74.3	-31.9	174.1	169.7	94.6	0	0	0	112.6	C442 E444 F446 A451 L452 L457 V458 H459	C442-H455 PolarHBondContact SG-NE2 2.89Å; E444-H455 IonicContact OE2-CE1 2.83Å; E444-H455 PolarHBondContact OE2-CE1 3.42Å; E444-H455 IonicContact OE2-ND1 2.65Å; E444-H455 PolarHBondContact OE2-ND1 3.33Å; F446-H455 HydrophobicContact CD2-CB 4.48Å; F446-H455 HydrophobicContact CE1-CB 4.06Å; F446-H455 HydrophobicContact CE2-CB 3.73Å; F446-H455 AromaticContact CE2-CD2 3.54Å; F446-H455 AromaticContact CE2-CG 3.45Å; F446-H455 VanDerWaalsContact CE2-CG 3.45Å; F446-H455 AromaticContact CE2-ND1 3.87Å; F446-H455 AromaticContact CE2-NE2 3.96Å; F446-H455 HydrophobicContact CZ-CB 3.51Å; F446-H455 AromaticContact CZ-CD2 3.8Å; F446-H455 AromaticContact CZ-CE1 3.78Å; F446-H455 AromaticContact CZ-CG 3.26Å; F446-H455 AromaticContact CZ-ND1 3.29Å; F446-H455 VanDerWaalsContact CZ-ND1 3.29Å; F446-H455 WeakPolarHBondContact CZ-ND1 3.5Å; A451-H455 WeakPolarHBondContact O-CB 3.36Å; A451-H455 PolarHBondContact O-N 3.49Å; L452-H455 CarbonylContact O-C 3.3Å; L452-H455 WeakPolarHBondContact O-CA 3.33Å; L452-H455 WeakPolarHBondContact O-CB 3.05Å; L452-H455 PolarHBondContact O-N 2.9Å; H455-L457 PolarHBondContact O-N 3.37Å; H455-L457 VanDerWaalsContact O-N 3.17Å; H455-V458 VanDerWaalsContact O-CB 3.24Å; H455-V458 WeakPolarHBondContact O-CB 3.46Å; H455-V458 WeakPolarHBondContact O-CG2 3.1Å; H455-V458 PolarHBondContact O-N 3.49Å; H455-H459 AromaticContact CD2-NE2 3.62Å; H455-H459 AromaticContact CE1-NE2 3.63Å; H455-H459 AromaticContact NE2-CD2 3.8Å; H455-H459 AromaticContact NE2-CE1 3.88Å; H455-H459 AromaticContact NE2-NE2 2.93Å; H455-H459 PolarHBondContact NE2-NE2 3.17Å
456	M	62.3	Low	61.5	Low	49 Å²	49	74.8 Å²	74.8	24%	0.241	40%	0.395	C	S	.	.	H	α-helix	trans	-59.2	-27.2	172.8	-65.7	-51.2	-51.7	0	0	112.6	C439 L452 V458 H459 G460	C439-M456 HydrophobicContact CB-SD 4.36Å; C439-M456 PolarHBondContact SG-SD 2.99Å; L452-M456 HydrophobicContact CD1-CG 4.26Å; L452-M456 HydrophobicContact CD1-SD 3.98Å; L452-M456 WeakPolarHBondContact O-CG 3.17Å; L452-M456 PolarHBondContact O-N 2.68Å; M456-V458 PolarHBondContact O-N 3.49Å; M456-H459 PolarHBondContact O-N 3.05Å; M456-G460 PolarHBondContact O-N 3.22Å; M456-G460 VanDerWaalsContact O-N 3.1Å
457	L	66.6	Low	61	Low	51 Å²	51	73.3 Å²	73.3	27%	0.267	39%	0.388	S	S	.	.	H	α-helix	trans	-69.8	-6.2	172.5	-56.5	175	0	0	0	113.7	T454 H455 F475 Y476	T454-L457 WeakPolarHBondContact O-CB 3.29Å; T454-L457 PolarHBondContact O-N 2.88Å; H455-L457 PolarHBondContact O-N 3.37Å; H455-L457 VanDerWaalsContact O-N 3.17Å; L457-F475 HydrophobicContact CB-CD1 4.03Å; L457-F475 WeakPolarHBondContact O-CD1 3.43Å; L457-F475 WeakPolarHBondContact O-CE1 3.28Å; L457-Y476 HydrophobicContact CD1-CE1 4.14Å
458	V	63	Low	60.6	Low	100 Å²	100	78 Å²	78	61%	0.606	41%	0.41	S	S	*	.	H	α-helix	trans	-83.2	-29.1	171.7	-176.9	0	0	0	0	110.9	H455 M456	H455-V458 VanDerWaalsContact O-CB 3.24Å; H455-V458 WeakPolarHBondContact O-CB 3.46Å; H455-V458 WeakPolarHBondContact O-CG2 3.1Å; H455-V458 PolarHBondContact O-N 3.49Å; M456-V458 PolarHBondContact O-N 3.49Å
459	H	63.9	Low	59.9	Low	54 Å²	54	81.1 Å²	81.1	25%	0.25	43%	0.429	C	S	.	.	H	α-helix	trans	-91.7	-29.7	178.8	-54.4	-60.1	0	0	0	113	C439 Q441 C442 H455 M456	C439-H459 VanDerWaalsContact SG-CD2 3.58Å; C439-H459 PolarHBondContact SG-NE2 3.36Å; C439-H459 VanDerWaalsContact SG-NE2 3.39Å; Q441-H459 HydrophobicContact CG-CB 4.38Å; C442-H459 PolarHBondContact SG-NE2 3.31Å; C442-H459 VanDerWaalsContact SG-NE2 3.44Å; H455-H459 AromaticContact CD2-NE2 3.62Å; H455-H459 AromaticContact CE1-NE2 3.63Å; H455-H459 AromaticContact NE2-CD2 3.8Å; H455-H459 AromaticContact NE2-CE1 3.88Å; H455-H459 AromaticContact NE2-NE2 2.93Å; H455-H459 PolarHBondContact NE2-NE2 3.17Å; M456-H459 PolarHBondContact O-N 3.05Å
460	G	56.6	Low	59.9	Low	35 Å²	35	79.5 Å²	79.5	36%	0.361	42%	0.42	S	S	.	.	S	Bend	trans	-75.6	123.6	165.9	0	0	0	0	0	110.8	M456 E462	M456-G460 PolarHBondContact O-N 3.22Å; M456-G460 VanDerWaalsContact O-N 3.1Å; G460-E462 PolarHBondContact O-N 3.42Å
461	V	46.3	Very low	59.4	Low	144 Å²	144	72.1 Å²	72.1	87%	0.873	41%	0.407	S	S	*	.	S	Bend	trans	-64.5	-21	176.7	-174.6	0	0	0	0	111.7	K463	V461-K463 PolarHBondContact O-N 2.88Å
462	E	51.9	Low	58.8	Low	159 Å²	159	75.2 Å²	75.2	74%	0.743	41%	0.413	S	S	*	.			trans	-69.1	94.5	175.8	-66	-171.6	175.2	0	0	112.8	G460 P464	G460-E462 PolarHBondContact O-N 3.42Å; E462-P464 WeakPolarHBondContact O-CD 3.47Å; E462-P464 WeakPolarHBondContact O-CG 3.26Å
463	K	54.5	Low	58.2	Low	82 Å²	82	76 Å²	76	36%	0.357	42%	0.419	S	S	.	.			trans	-75.7	98.7	154.9	-75.2	162.1	166.3	-168.8	0	108.7	V461 F465 T473 F474 F475	V461-K463 PolarHBondContact O-N 2.88Å; K463-F465 PolarHBondContact O-N 3.08Å; K463-T473 WeakPolarHBondContact CD-O 3.46Å; K463-T473 WeakPolarHBondContact CD-OG1 3.23Å; K463-F474 CarbonylContact C-O 3.49Å; K463-F475 HydrophobicContact CB-CD1 4.36Å; K463-F475 HydrophobicContact CB-CE1 4.46Å; K463-F475 HydrophobicContact CD-CE1 4.2Å; K463-F475 HydrophobicContact CD-CZ 4.14Å; K463-F475 VanDerWaalsContact CE-CZ 3.43Å; K463-F475 HydrophobicContact CG-CD1 3.49Å; K463-F475 VanDerWaalsContact CG-CD1 3.49Å; K463-F475 HydrophobicContact CG-CD2 4.38Å; K463-F475 HydrophobicContact CG-CE1 3.25Å; K463-F475 HydrophobicContact CG-CE2 4.2Å; K463-F475 HydrophobicContact CG-CG 4.07Å; K463-F475 HydrophobicContact CG-CZ 3.66Å
464	P	55.1	Low	58.2	Low	73 Å²	73	70.7 Å²	70.7	47%	0.474	40%	0.396	S	S	.	.			trans	-75	-6.5	-159.8	-17.9	34	0	0	0	114.6	E462	E462-P464 WeakPolarHBondContact O-CD 3.47Å; E462-P464 WeakPolarHBondContact O-CG 3.26Å
465	F	57.5	Low	57.8	Low	70 Å²	70	72.2 Å²	72.2	31%	0.307	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	88	-172.3	-56.6	-72.3	0	0	0	109.5	K463 F474 Y476 N477 L480	K463-F465 PolarHBondContact O-N 3.08Å; F465-F474 HydrophobicContact CB-CB 4.4Å; F465-F474 PolarHBondContact N-O 3.3Å; F465-F474 PolarHBondContact O-N 2.96Å; F465-Y476 VanDerWaalsContact CD2-C 3.41Å; F465-N477 HydrophobicContact CD1-CB 3.73Å; F465-N477 HydrophobicContact CE1-CB 3.7Å; F465-N477 HydrophobicContact CE2-CB 4.46Å; F465-N477 HydrophobicContact CG-CB 4.14Å; F465-N477 HydrophobicContact CZ-CB 4.07Å; F465-L480 HydrophobicContact CB-CB 3.93Å; F465-L480 HydrophobicContact CB-CD2 3.76Å; F465-L480 HydrophobicContact CB-CG 4.46Å
466	M	51.6	Low	57.4	Low	106 Å²	106	75.1 Å²	75.1	52%	0.522	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	147.8	172.4	-163.9	176.4	-60.8	0	0	110.7	K472 T473 L480	M466-K472 CarbonylContact C-O 3.55Å; M466-T473 HydrophobicContact CB-CG2 3.98Å; M466-T473 HydrophobicContact CE-CG2 3.77Å; M466-T473 HydrophobicContact CG-CG2 3.8Å; M466-L480 WeakPolarHBondContact O-CD1 3.49Å; M466-L480 WeakPolarHBondContact O-CD2 3.3Å
467	C	63.9	Low	56.9	Low	0 Å²	0	76.7 Å²	76.7	0%	0	42%	0.421	C	S	.	.			trans	-94.9	112.1	166.8	-177.4	0	0	0	0	110	C469 C470 G471 K472 F474 L480 H483	C467-C469 PolarHBondContact O-N 2.85Å; C467-C470 PolarHBondContact O-N 3.29Å; C467-C470 VanDerWaalsContact O-N 3.07Å; C467-G471 WeakPolarHBondContact O-CA 3.19Å; C467-G471 PolarHBondContact O-N 2.88Å; C467-K472 PolarHBondContact N-O 3.04Å; C467-F474 HydrophobicContact CB-CE2 4.41Å; C467-L480 VanDerWaalsContact CA-CD1 3.46Å; C467-L480 HydrophobicContact CB-CD1 3.47Å; C467-L480 VanDerWaalsContact CB-CD1 3.47Å; C467-H483 WeakPolarHBondContact CB-NE2 3.46Å; C467-H483 PolarHBondContact SG-NE2 2.83Å
468	D	54.8	Low	56.3	Low	136 Å²	136	77.9 Å²	77.9	73%	0.727	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.8	-177.4	-38	-75.6	0	0	0	111.3	C470	D468-C470 PolarHBondContact O-N 2.87Å
469	C	56.1	Low	56.3	Low	81 Å²	81	77 Å²	77	55%	0.547	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.4	-179.6	-45.7	0	0	0	0	115.1	C467 H488	C467-C469 PolarHBondContact O-N 2.85Å; C469-H488 HydrophobicContact CB-CB 4.37Å; C469-H488 WeakPolarHBondContact CB-ND1 3.25Å; C469-H488 PolarHBondContact O-CE1 3.2Å
470	C	62.7	Low	56.3	Low	52 Å²	52	75 Å²	75	35%	0.351	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.8	14.1	176.1	73	0	0	0	0	117.4	C467 D468 K472 H483 H488	C467-C470 PolarHBondContact O-N 3.29Å; C467-C470 VanDerWaalsContact O-N 3.07Å; D468-C470 PolarHBondContact O-N 2.87Å; C470-K472 PolarHBondContact O-N 3.23Å; C470-K472 VanDerWaalsContact SG-CG 3.59Å; C470-K472 PolarHBondContact SG-NZ 3.16Å; C470-H483 VanDerWaalsContact SG-CE1 3.56Å; C470-H483 PolarHBondContact SG-NE2 3.01Å; C470-H488 PolarHBondContact SG-NE2 3.26Å; C470-H488 VanDerWaalsContact SG-NE2 3.36Å
471	G	52.4	Low	56.5	Low	46 Å²	46	78.4 Å²	78.4	47%	0.474	42%	0.419	S	S	.	.			trans	67.7	0.8	177.2	0	0	0	0	0	116.1	C467 T473	C467-G471 WeakPolarHBondContact O-CA 3.19Å; C467-G471 PolarHBondContact O-N 2.88Å; G471-T473 PolarHBondContact O-N 2.86Å
472	K	55.3	Low	57.3	Low	102 Å²	102	77.8 Å²	77.8	44%	0.443	41%	0.405	S	S	.	.			trans	-70.6	127.5	-179.8	-69.3	-178	-161.9	112.2	0	110.4	M466 C467 C470 F474	M466-K472 CarbonylContact C-O 3.55Å; C467-K472 PolarHBondContact N-O 3.04Å; C470-K472 PolarHBondContact O-N 3.23Å; C470-K472 VanDerWaalsContact SG-CG 3.59Å; C470-K472 PolarHBondContact SG-NZ 3.16Å; K472-F474 HydrophobicContact CB-CE2 3.57Å; K472-F474 HydrophobicContact CB-CZ 3.86Å; K472-F474 HydrophobicContact CD-CZ 4.48Å; K472-F474 WeakPolarHBondContact O-CD2 3.26Å; K472-F474 VanDerWaalsContact O-CE2 3.23Å; K472-F474 WeakPolarHBondContact O-CE2 3.36Å
473	T	53.1	Low	58	Low	49 Å²	49	71 Å²	71	30%	0.301	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139	179.7	53.4	0	0	0	0	112.2	K463 M466 G471	K463-T473 WeakPolarHBondContact CD-O 3.46Å; K463-T473 WeakPolarHBondContact CD-OG1 3.23Å; M466-T473 HydrophobicContact CB-CG2 3.98Å; M466-T473 HydrophobicContact CE-CG2 3.77Å; M466-T473 HydrophobicContact CG-CG2 3.8Å; G471-T473 PolarHBondContact O-N 2.86Å
474	F	64.6	Low	58.5	Low	42 Å²	42	69.1 Å²	69.1	18%	0.184	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.1	-175.6	-61	-90.9	0	0	0	111.5	K463 F465 C467 K472 Y476 Q479 L480 H483	K463-F474 CarbonylContact C-O 3.49Å; F465-F474 HydrophobicContact CB-CB 4.4Å; F465-F474 PolarHBondContact N-O 3.3Å; F465-F474 PolarHBondContact O-N 2.96Å; C467-F474 HydrophobicContact CB-CE2 4.41Å; K472-F474 HydrophobicContact CB-CE2 3.57Å; K472-F474 HydrophobicContact CB-CZ 3.86Å; K472-F474 HydrophobicContact CD-CZ 4.48Å; K472-F474 WeakPolarHBondContact O-CD2 3.26Å; K472-F474 VanDerWaalsContact O-CE2 3.23Å; K472-F474 WeakPolarHBondContact O-CE2 3.36Å; F474-Y476 VanDerWaalsContact C-N 3.34Å; F474-Q479 HydrophobicContact CB-CB 4.12Å; F474-Q479 HydrophobicContact CD1-CB 3.83Å; F474-Q479 HydrophobicContact CG-CB 4.24Å; F474-L480 HydrophobicContact CB-CB 4.4Å; F474-L480 HydrophobicContact CD2-CB 4.19Å; F474-L480 HydrophobicContact CD2-CD1 4.27Å; F474-L480 HydrophobicContact CG-CB 4.45Å; F474-H483 HydrophobicContact CE1-CB 4.05Å; F474-H483 HydrophobicContact CE2-CB 4.06Å; F474-H483 AromaticContact CE2-CD2 3.1Å; F474-H483 WeakPolarHBondContact CE2-CD2 3.42Å; F474-H483 AromaticContact CE2-CG 3.73Å; F474-H483 AromaticContact CE2-NE2 3.92Å; F474-H483 HydrophobicContact CZ-CB 3.61Å; F474-H483 AromaticContact CZ-CD2 3.21Å; F474-H483 WeakPolarHBondContact CZ-CD2 3.34Å; F474-H483 AromaticContact CZ-CG 3.36Å; F474-H483 AromaticContact CZ-NE2 3.99Å
475	F	52.7	Low	58.9	Low	65 Å²	65	72.5 Å²	72.5	29%	0.285	38%	0.375	S	S	.	.	S	Bend	trans	-76.4	-21.8	177.6	-60.9	-71.3	0	0	0	112.9	L457 K463	L457-F475 HydrophobicContact CB-CD1 4.03Å; L457-F475 WeakPolarHBondContact O-CD1 3.43Å; L457-F475 WeakPolarHBondContact O-CE1 3.28Å; K463-F475 HydrophobicContact CB-CD1 4.36Å; K463-F475 HydrophobicContact CB-CE1 4.46Å; K463-F475 HydrophobicContact CD-CE1 4.2Å; K463-F475 HydrophobicContact CD-CZ 4.14Å; K463-F475 VanDerWaalsContact CE-CZ 3.43Å; K463-F475 HydrophobicContact CG-CD1 3.49Å; K463-F475 VanDerWaalsContact CG-CD1 3.49Å; K463-F475 HydrophobicContact CG-CD2 4.38Å; K463-F475 HydrophobicContact CG-CE1 3.25Å; K463-F475 HydrophobicContact CG-CE2 4.2Å; K463-F475 HydrophobicContact CG-CG 4.07Å; K463-F475 HydrophobicContact CG-CZ 3.66Å
476	Y	61.3	Low	58.9	Low	82 Å²	82	72 Å²	72	32%	0.322	38%	0.375	S	S	.	.	S	Bend	trans	-132.6	137.4	-177.9	-45.2	-51.9	0	0	0	112.2	T454 L457 F465 F474 C478 Q479 L480	T454-Y476 WeakPolarHBondContact CB-OH 3.27Å; T454-Y476 HydrophobicContact CG2-CE1 3.72Å; L457-Y476 HydrophobicContact CD1-CE1 4.14Å; F465-Y476 VanDerWaalsContact CD2-C 3.41Å; F474-Y476 VanDerWaalsContact C-N 3.34Å; Y476-C478 PolarHBondContact O-N 3.22Å; Y476-Q479 HydrophobicContact CD2-CG 3.99Å; Y476-Q479 WeakPolarHBondContact O-CA 3.45Å; Y476-Q479 WeakPolarHBondContact O-CB 3.4Å; Y476-Q479 PolarHBondContact O-N 3.11Å; Y476-L480 PolarHBondContact O-N 3.29Å; Y476-L480 VanDerWaalsContact O-N 3.09Å
477	N	50.5	Low	59.4	Low	82 Å²	82	70.6 Å²	70.6	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-53.6	-38	171.9	177.5	-84.9	0	0	0	112.1	F465 Q479 L480 Q481	F465-N477 HydrophobicContact CD1-CB 3.73Å; F465-N477 HydrophobicContact CE1-CB 3.7Å; F465-N477 HydrophobicContact CE2-CB 4.46Å; F465-N477 HydrophobicContact CG-CB 4.14Å; F465-N477 HydrophobicContact CZ-CB 4.07Å; N477-Q479 PolarHBondContact O-N 2.69Å; N477-L480 WeakPolarHBondContact O-CB 3.45Å; N477-L480 PolarHBondContact O-N 2.99Å; N477-L480 VanDerWaalsContact O-N 3.13Å; N477-Q481 WeakPolarHBondContact O-CB 3.12Å; N477-Q481 WeakPolarHBondContact O-CG 3.48Å; N477-Q481 PolarHBondContact O-N 3.46Å; N477-Q481 WeakPolarHBondContact OD1-CG 3.18Å
478	C	54	Low	59.3	Low	76 Å²	76	73.8 Å²	73.8	51%	0.514	39%	0.387	S	S	.	.	H	α-helix	trans	-72	-10.4	177.2	69.6	0	0	0	0	114.8	Y476 K482	Y476-C478 PolarHBondContact O-N 3.22Å; C478-K482 VanDerWaalsContact O-CD 3.29Å; C478-K482 WeakPolarHBondContact O-CD 3.39Å; C478-K482 VanDerWaalsContact O-CG 3.26Å; C478-K482 WeakPolarHBondContact O-CG 3.49Å
479	Q	63.7	Low	59.3	Low	80 Å²	80	69.6 Å²	69.6	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-87.7	-42.6	164.9	-71.5	177.8	-20	0	0	110.7	F474 Y476 N477 K482 H483	F474-Q479 HydrophobicContact CB-CB 4.12Å; F474-Q479 HydrophobicContact CD1-CB 3.83Å; F474-Q479 HydrophobicContact CG-CB 4.24Å; Y476-Q479 HydrophobicContact CD2-CG 3.99Å; Y476-Q479 WeakPolarHBondContact O-CA 3.45Å; Y476-Q479 WeakPolarHBondContact O-CB 3.4Å; Y476-Q479 PolarHBondContact O-N 3.11Å; N477-Q479 PolarHBondContact O-N 2.69Å; Q479-K482 PolarHBondContact O-N 2.93Å; Q479-H483 VanDerWaalsContact O-CB 3.31Å; Q479-H483 WeakPolarHBondContact O-CB 3.42Å; Q479-H483 PolarHBondContact O-N 3.33Å
480	L	64.2	Low	59.1	Low	12 Å²	12	73 Å²	73	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-56.7	-51.8	173.5	167.1	60.4	0	0	0	111.5	F465 M466 C467 F474 Y476 N477 K482 H483 Q484	F465-L480 HydrophobicContact CB-CB 3.93Å; F465-L480 HydrophobicContact CB-CD2 3.76Å; F465-L480 HydrophobicContact CB-CG 4.46Å; M466-L480 WeakPolarHBondContact O-CD1 3.49Å; M466-L480 WeakPolarHBondContact O-CD2 3.3Å; C467-L480 VanDerWaalsContact CA-CD1 3.46Å; C467-L480 HydrophobicContact CB-CD1 3.47Å; C467-L480 VanDerWaalsContact CB-CD1 3.47Å; F474-L480 HydrophobicContact CB-CB 4.4Å; F474-L480 HydrophobicContact CD2-CB 4.19Å; F474-L480 HydrophobicContact CD2-CD1 4.27Å; F474-L480 HydrophobicContact CG-CB 4.45Å; Y476-L480 PolarHBondContact O-N 3.29Å; Y476-L480 VanDerWaalsContact O-N 3.09Å; N477-L480 WeakPolarHBondContact O-CB 3.45Å; N477-L480 PolarHBondContact O-N 2.99Å; N477-L480 VanDerWaalsContact O-N 3.13Å; L480-K482 VanDerWaalsContact C-N 3.34Å; L480-K482 PolarHBondContact O-N 3.26Å; L480-H483 CarbonylContact O-C 3.48Å; L480-H483 WeakPolarHBondContact O-CA 3.39Å; L480-H483 WeakPolarHBondContact O-CB 3.14Å; L480-H483 PolarHBondContact O-N 3.23Å; L480-Q484 HydrophobicContact CD1-CG 3.94Å; L480-Q484 PolarHBondContact O-N 3.15Å
481	Q	61	Low	58.3	Low	108 Å²	108	77.6 Å²	77.6	51%	0.505	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-41.3	179.4	-72.4	-82.4	-79.4	0	0	112.3	N477 H483 Q484 Q485	N477-Q481 WeakPolarHBondContact O-CB 3.12Å; N477-Q481 WeakPolarHBondContact O-CG 3.48Å; N477-Q481 PolarHBondContact O-N 3.46Å; N477-Q481 WeakPolarHBondContact OD1-CG 3.18Å; Q481-H483 VanDerWaalsContact C-N 3.31Å; Q481-H483 PolarHBondContact O-N 3.43Å; Q481-Q484 PolarHBondContact O-N 3.42Å; Q481-Q485 VanDerWaalsContact O-CB 3.27Å; Q481-Q485 WeakPolarHBondContact O-CB 3.32Å; Q481-Q485 PolarHBondContact O-N 3.29Å
482	K	62.2	Low	57.6	Low	130 Å²	130	85 Å²	85	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-66.5	-33.8	172	-73.6	176.9	-173.4	175.3	0	112.1	C478 Q479 L480 L486	C478-K482 VanDerWaalsContact O-CD 3.29Å; C478-K482 WeakPolarHBondContact O-CD 3.39Å; C478-K482 VanDerWaalsContact O-CG 3.26Å; C478-K482 WeakPolarHBondContact O-CG 3.49Å; Q479-K482 PolarHBondContact O-N 2.93Å; L480-K482 VanDerWaalsContact C-N 3.34Å; L480-K482 PolarHBondContact O-N 3.26Å; K482-L486 WeakPolarHBondContact O-CB 3.4Å; K482-L486 WeakPolarHBondContact O-CG 3.1Å; K482-L486 PolarHBondContact O-N 3.16Å
483	H	67.6	Low	56.9	Low	18 Å²	18	83.4 Å²	83.4	8%	0.083	44%	0.444	C	S	.	.	H	α-helix	trans	-71.5	-42.8	176.3	163.7	41.7	0	0	0	111.8	C467 C470 F474 Q479 L480 Q481 L486 V487 H488	C467-H483 WeakPolarHBondContact CB-NE2 3.46Å; C467-H483 PolarHBondContact SG-NE2 2.83Å; C470-H483 VanDerWaalsContact SG-CE1 3.56Å; C470-H483 PolarHBondContact SG-NE2 3.01Å; F474-H483 HydrophobicContact CE1-CB 4.05Å; F474-H483 HydrophobicContact CE2-CB 4.06Å; F474-H483 AromaticContact CE2-CD2 3.1Å; F474-H483 WeakPolarHBondContact CE2-CD2 3.42Å; F474-H483 AromaticContact CE2-CG 3.73Å; F474-H483 AromaticContact CE2-NE2 3.92Å; F474-H483 HydrophobicContact CZ-CB 3.61Å; F474-H483 AromaticContact CZ-CD2 3.21Å; F474-H483 WeakPolarHBondContact CZ-CD2 3.34Å; F474-H483 AromaticContact CZ-CG 3.36Å; F474-H483 AromaticContact CZ-NE2 3.99Å; Q479-H483 VanDerWaalsContact O-CB 3.31Å; Q479-H483 WeakPolarHBondContact O-CB 3.42Å; Q479-H483 PolarHBondContact O-N 3.33Å; L480-H483 CarbonylContact O-C 3.48Å; L480-H483 WeakPolarHBondContact O-CA 3.39Å; L480-H483 WeakPolarHBondContact O-CB 3.14Å; L480-H483 PolarHBondContact O-N 3.23Å; Q481-H483 VanDerWaalsContact C-N 3.31Å; Q481-H483 PolarHBondContact O-N 3.43Å; H483-L486 PolarHBondContact O-N 2.9Å; H483-V487 WeakPolarHBondContact ND1-CB 3.3Å; H483-V487 VanDerWaalsContact ND1-CG2 3.25Å; H483-V487 WeakPolarHBondContact ND1-CG2 3.46Å; H483-V487 VanDerWaalsContact O-CB 3.27Å; H483-V487 WeakPolarHBondContact O-CB 3.31Å; H483-V487 WeakPolarHBondContact O-CG2 3.38Å; H483-V487 PolarHBondContact O-N 3.06Å; H483-H488 AromaticContact CE1-CD2 3.8Å; H483-H488 AromaticContact CE1-NE2 3.59Å; H483-H488 AromaticContact NE2-NE2 3.84Å
484	Q	65.1	Low	55.8	Low	42 Å²	42	91.9 Å²	91.9	20%	0.196	47%	0.471	C	S	.	.	H	α-helix	trans	-55.9	-55.7	170.5	-74.3	164.8	-45.5	0	0	109.3	L480 Q481 L486 V487 H488 G489	L480-Q484 HydrophobicContact CD1-CG 3.94Å; L480-Q484 PolarHBondContact O-N 3.15Å; Q481-Q484 PolarHBondContact O-N 3.42Å; Q484-L486 VanDerWaalsContact C-N 3.28Å; Q484-L486 PolarHBondContact O-N 3.07Å; Q484-V487 PolarHBondContact O-N 2.92Å; Q484-H488 CarbonylContact O-C 3.58Å; Q484-H488 VanDerWaalsContact O-CA 3.24Å; Q484-H488 WeakPolarHBondContact O-CA 3.16Å; Q484-H488 WeakPolarHBondContact O-CB 3.4Å; Q484-H488 PolarHBondContact O-N 3.4Å; Q484-G489 PolarHBondContact O-N 2.79Å
485	Q	62	Low	54	Low	143 Å²	143	97.4 Å²	97.4	67%	0.668	50%	0.501	S	S	*	.	H	α-helix	trans	-60.7	-27.4	179.5	-169.3	176.7	34	0	0	114.9	Q481	Q481-Q485 VanDerWaalsContact O-CB 3.27Å; Q481-Q485 WeakPolarHBondContact O-CB 3.32Å; Q481-Q485 PolarHBondContact O-N 3.29Å
486	L	58.8	Low	53.3	Low	60 Å²	60	100.4 Å²	100.4	31%	0.314	53%	0.527	S	S	.	.	H	α-helix	trans	-110.8	0.9	-173.4	-59.2	178.5	0	0	0	115.1	K482 H483 Q484 P508	K482-L486 WeakPolarHBondContact O-CB 3.4Å; K482-L486 WeakPolarHBondContact O-CG 3.1Å; K482-L486 PolarHBondContact O-N 3.16Å; H483-L486 PolarHBondContact O-N 2.9Å; Q484-L486 VanDerWaalsContact C-N 3.28Å; Q484-L486 PolarHBondContact O-N 3.07Å; L486-P508 HydrophobicContact CD1-CG 3.9Å; L486-P508 HydrophobicContact CD2-CB 3.85Å; L486-P508 HydrophobicContact CD2-CG 3.6Å; L486-P508 HydrophobicContact CG-CG 4.27Å
487	V	62	Low	52	Low	77 Å²	77	100.4 Å²	100.4	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-136.6	-18	178.3	-173.4	0	0	0	0	112.1	H483 Q484	H483-V487 WeakPolarHBondContact ND1-CB 3.3Å; H483-V487 VanDerWaalsContact ND1-CG2 3.25Å; H483-V487 WeakPolarHBondContact ND1-CG2 3.46Å; H483-V487 VanDerWaalsContact O-CB 3.27Å; H483-V487 WeakPolarHBondContact O-CB 3.31Å; H483-V487 WeakPolarHBondContact O-CG2 3.38Å; H483-V487 PolarHBondContact O-N 3.06Å; Q484-V487 PolarHBondContact O-N 2.92Å
488	H	62.3	Low	50.9	Low	66 Å²	66	101.6 Å²	101.6	31%	0.306	57%	0.573	S	S	.	*	S	Bend	trans	-132.8	14.7	178.2	-55.8	-74.9	0	0	0	111.8	C469 C470 H483 Q484 D490	C469-H488 HydrophobicContact CB-CB 4.37Å; C469-H488 WeakPolarHBondContact CB-ND1 3.25Å; C469-H488 PolarHBondContact O-CE1 3.2Å; C470-H488 PolarHBondContact SG-NE2 3.26Å; C470-H488 VanDerWaalsContact SG-NE2 3.36Å; H483-H488 AromaticContact CE1-CD2 3.8Å; H483-H488 AromaticContact CE1-NE2 3.59Å; H483-H488 AromaticContact NE2-NE2 3.84Å; Q484-H488 CarbonylContact O-C 3.58Å; Q484-H488 VanDerWaalsContact O-CA 3.24Å; Q484-H488 WeakPolarHBondContact O-CA 3.16Å; Q484-H488 WeakPolarHBondContact O-CB 3.4Å; Q484-H488 PolarHBondContact O-N 3.4Å; H488-D490 VanDerWaalsContact C-N 3.31Å
489	G	54.7	Low	49.8	Very low	49 Å²	49	102.8 Å²	102.8	51%	0.505	59%	0.589	S	S	.	*	S	Bend	trans	-77.2	-16.1	-178.7	0	0	0	0	0	114.2	Q484	Q484-G489 PolarHBondContact O-N 2.79Å
490	D	51	Low	48.6	Very low	151 Å²	151	109.6 Å²	109.6	81%	0.807	61%	0.611	S	S	*	*	S	Bend	trans	-117.3	98.2	176.1	-48.4	-66.3	0	0	0	108.6	H488	H488-D490 VanDerWaalsContact C-N 3.31Å
491	L	46	Very low	47	Very low	150 Å²	150	120.6 Å²	120.6	79%	0.785	65%	0.652	S	S	*	*			trans	164.5	83.9	153.7	-93.5	161.3	0	0	0	111.6
492	E	38.5	Very low	45.8	Very low	202 Å²	202	125.8 Å²	125.8	94%	0.944	67%	0.666	S	S	*	*	S	Bend	trans	-87.2	121.5	145.2	-71.2	-168.7	140.6	0	0	107.8
493	G	38.9	Very low	44.5	Very low	68 Å²	68	125.1 Å²	125.1	70%	0.701	68%	0.678	S	S	*	*	S	Bend	trans	95.9	55.4	160.9	0	0	0	0	0	120.3
494	R	30.3	Very low	42.8	Very low	227 Å²	227	130.4 Å²	130.4	86%	0.857	71%	0.712	S	S	*	*			trans	-159.2	140.8	138.3	-146.2	158.6	-77.7	-128.8	-0.9	114.7
495	L	26.8	Very low	41.8	Very low	158 Å²	158	131.3 Å²	131.3	83%	0.827	73%	0.733	S	S	*	*			trans	-96	-173.7	168.2	-62.8	170.3	0	0	0	110
496	P	37.8	Very low	41	Very low	127 Å²	127	129.2 Å²	129.2	83%	0.825	73%	0.73	S	S	*	*				-125	136.5	-95	33.1	-14.8	0	0	0	114
497	G	35.5	Very low	40.4	Very low	83 Å²	83	131.3 Å²	131.3	86%	0.856	74%	0.736	S	S	*	*			trans	156.6	81.1	169	0	0	0	0	0	116
498	A	27	Very low	40	Very low	106 Å²	106	130.1 Å²	130.1	88%	0.876	73%	0.73	S	S	*	*			trans	-151.1	152.4	166.9	0	0	0	0	0	111.6
499	A	29.6	Very low	39.6	Very low	101 Å²	101	130.2 Å²	130.2	84%	0.835	73%	0.73	S	S	*	*			trans	-79.6	150.1	-164.4	0	0	0	0	0	115.9	R501	A499-R501 PolarHBondContact O-N 3.42Å
500	R	38.5	Very low	39	Very low	223 Å²	223	131.5 Å²	131.5	84%	0.842	73%	0.728	S	S	*	*			trans	-49	121.4	175.4	-163.6	-169.7	-149.4	-163.1	12.5	113.6
501	R	31.6	Very low	39.3	Very low	244 Å²	244	124.3 Å²	124.3	92%	0.921	69%	0.689	S	S	*	*			trans	-131.7	145.4	156.6	-75	-166.2	-179.7	-121.6	0.1	111.5	A499	A499-R501 PolarHBondContact O-N 3.42Å
502	R	35	Very low	39.8	Very low	216 Å²	216	126.1 Å²	126.1	82%	0.815	69%	0.691	S	S	*	*			trans	-98.7	141.6	178.2	-74	180	174.6	167.1	-2.3	110.9
503	S	34.5	Very low	40.5	Very low	117 Å²	117	123.2 Å²	123.2	82%	0.818	68%	0.679	S	S	*	*			trans	54	82.8	152.8	-176.7	0	0	0	0	118.1
504	T	32.4	Very low	41.4	Very low	128 Å²	128	122.1 Å²	122.1	79%	0.785	66%	0.66	S	S	*	*			trans	-108.7	135	137.3	50.5	0	0	0	0	109	V506	T504-V506 PolarHBondContact O-N 3.14Å; T504-V506 VanDerWaalsContact O-N 3.08Å
505	G	43.9	Very low	42.5	Very low	62 Å²	62	117.7 Å²	117.7	64%	0.639	65%	0.653	S	S	*	*			trans	-78	89.6	173	0	0	0	0	0	109.3	K507	G505-K507 WeakPolarHBondContact O-CG 3.2Å; G505-K507 PolarHBondContact O-N 2.83Å
506	V	46.6	Very low	43.5	Very low	99 Å²	99	116 Å²	116	60%	0.6	64%	0.639	S	S	*	*			trans	-56.3	127.6	174.4	-177.3	0	0	0	0	108.5	T504	T504-V506 PolarHBondContact O-N 3.14Å; T504-V506 VanDerWaalsContact O-N 3.08Å
507	K	46.3	Very low	43.9	Very low	104 Å²	104	112.1 Å²	112.1	45%	0.452	62%	0.615	S	S	.	*			trans	-125.5	81	-166.8	-89.4	158	142.9	-131.8	0	106.8	G505 F509 S517 F518	G505-K507 WeakPolarHBondContact O-CG 3.2Å; G505-K507 PolarHBondContact O-N 2.83Å; K507-F509 PolarHBondContact O-N 3Å; K507-F509 VanDerWaalsContact O-N 3.12Å; K507-S517 VanDerWaalsContact CB-CB 3.44Å; K507-S517 WeakPolarHBondContact CD-O 3.42Å; K507-S517 VanDerWaalsContact CE-O 3.32Å; K507-S517 WeakPolarHBondContact CE-O 3.4Å; K507-S517 PolarHBondContact NZ-O 3.01Å; K507-S517 WeakPolarHBondContact O-CB 3.5Å; K507-F518 CarbonylContact C-O 3.54Å; K507-F518 WeakPolarHBondContact CA-O 3.19Å
508	P	51.9	Low	45	Very low	52 Å²	52	110.4 Å²	110.4	34%	0.338	58%	0.584	S	S	.	*			trans	-65.3	-20.5	-162.7	29	-40.5	0	0	0	113.8	L486 T510	L486-P508 HydrophobicContact CD1-CG 3.9Å; L486-P508 HydrophobicContact CD2-CB 3.85Å; L486-P508 HydrophobicContact CD2-CG 3.6Å; L486-P508 HydrophobicContact CG-CG 4.27Å; P508-T510 PolarHBondContact O-N 2.94Å
509	F	54.7	Low	46.1	Very low	68 Å²	68	109.5 Å²	109.5	30%	0.298	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	84.4	-177.4	-59	-71	0	0	0	110	K507 F518 S520 L524	K507-F509 PolarHBondContact O-N 3Å; K507-F509 VanDerWaalsContact O-N 3.12Å; F509-F518 HydrophobicContact CB-CB 4.29Å; F509-F518 PolarHBondContact N-O 3.02Å; F509-F518 VanDerWaalsContact N-O 3.12Å; F509-F518 WeakPolarHBondContact O-CB 3.13Å; F509-F518 PolarHBondContact O-N 3.02Å; F509-S520 VanDerWaalsContact CD2-CA 3.44Å; F509-L524 HydrophobicContact CB-CB 3.77Å; F509-L524 HydrophobicContact CB-CD2 3.72Å; F509-L524 HydrophobicContact CB-CG 4.31Å
510	T	42.7	Very low	47.7	Very low	75 Å²	75	106.6 Å²	106.6	46%	0.46	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	134.5	175.8	46	0	0	0	0	111.8	P508 K512	P508-T510 PolarHBondContact O-N 2.94Å; T510-K512 PolarHBondContact O-N 3.32Å
511	C	55.8	Low	48.4	Very low	0 Å²	0	98.9 Å²	98.9	0%	0	53%	0.525	C	S	.	.			trans	-80.3	117.2	176.1	-175.7	0	0	0	0	111.3	M513 C514 L515 K516 F518 L524 H531	C511-M513 PolarHBondContact O-N 3.35Å; C511-M513 VanDerWaalsContact O-N 3.09Å; C511-C514 PolarHBondContact O-N 3Å; C511-L515 VanDerWaalsContact O-CA 3.23Å; C511-L515 WeakPolarHBondContact O-CA 3.43Å; C511-L515 PolarHBondContact O-N 2.94Å; C511-K516 PolarHBondContact N-O 3.35Å; C511-F518 HydrophobicContact CB-CE2 4.39Å; C511-L524 HydrophobicContact CB-CD1 3.54Å; C511-H531 PolarHBondContact SG-CD2 2.96Å; C511-H531 PolarHBondContact SG-NE2 2.35Å
512	K	57.8	Low	49.6	Very low	188 Å²	188	91.4 Å²	91.4	82%	0.817	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.7	-177.9	-61.7	-171.6	177.5	-172.1	0	113.7	T510	T510-K512 PolarHBondContact O-N 3.32Å
513	M	53.4	Low	51	Low	142 Å²	142	83.4 Å²	83.4	70%	0.7	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-16.1	-177.6	-62.8	-48.6	-54	0	0	115.9	C511 H531	C511-M513 PolarHBondContact O-N 3.35Å; C511-M513 VanDerWaalsContact O-N 3.09Å; M513-H531 HydrophobicContact CB-CB 4.19Å; M513-H531 HydrophobicContact CG-CB 4.24Å
514	C	57.6	Low	52.2	Low	45 Å²	45	78.7 Å²	78.7	30%	0.304	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	13.2	179.5	75	0	0	0	0	115.1	C511 K516 H527 H531	C511-C514 PolarHBondContact O-N 3Å; C514-K516 PolarHBondContact O-N 3.48Å; C514-K516 VanDerWaalsContact SG-CD 3.57Å; C514-H527 PolarHBondContact SG-NE2 3.4Å; C514-H531 PolarHBondContact SG-CE1 3.24Å; C514-H531 PolarHBondContact SG-NE2 3.01Å
515	L	53.3	Low	53.8	Low	133 Å²	133	81.8 Å²	81.8	70%	0.696	45%	0.448	S	S	*	.			trans	56.7	1.9	177.1	-52.5	178.5	0	0	0	116.2	C511 S517	C511-L515 VanDerWaalsContact O-CA 3.23Å; C511-L515 WeakPolarHBondContact O-CA 3.43Å; C511-L515 PolarHBondContact O-N 2.94Å; L515-S517 PolarHBondContact O-N 3.07Å; L515-S517 PolarHBondContact O-OG 2.89Å
516	K	46.6	Very low	54.5	Low	123 Å²	123	83.8 Å²	83.8	54%	0.535	44%	0.442	S	S	.	.			trans	-58	126	173.4	-71.2	175.4	-169.5	161.5	0	109.8	C511 C514 F518	C511-K516 PolarHBondContact N-O 3.35Å; C514-K516 PolarHBondContact O-N 3.48Å; C514-K516 VanDerWaalsContact SG-CD 3.57Å; K516-F518 HydrophobicContact CB-CE2 3.65Å; K516-F518 HydrophobicContact CB-CZ 4.05Å; K516-F518 VanDerWaalsContact O-CD2 3.24Å; K516-F518 WeakPolarHBondContact O-CD2 3.17Å; K516-F518 WeakPolarHBondContact O-CE2 3.36Å
517	S	46.5	Very low	55.5	Low	46 Å²	46	80.1 Å²	80.1	32%	0.322	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.5	-172.4	-13.9	0	0	0	0	110.5	K507 L515	K507-S517 VanDerWaalsContact CB-CB 3.44Å; K507-S517 WeakPolarHBondContact CD-O 3.42Å; K507-S517 VanDerWaalsContact CE-O 3.32Å; K507-S517 WeakPolarHBondContact CE-O 3.4Å; K507-S517 PolarHBondContact NZ-O 3.01Å; K507-S517 WeakPolarHBondContact O-CB 3.5Å; L515-S517 PolarHBondContact O-N 3.07Å; L515-S517 PolarHBondContact O-OG 2.89Å
518	F	58.3	Low	56.4	Low	46 Å²	46	78.1 Å²	78.1	20%	0.202	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.2	-176.2	-64	-92.9	0	0	0	112.4	K507 F509 C511 K516 L524 H527	K507-F518 CarbonylContact C-O 3.54Å; K507-F518 WeakPolarHBondContact CA-O 3.19Å; F509-F518 HydrophobicContact CB-CB 4.29Å; F509-F518 PolarHBondContact N-O 3.02Å; F509-F518 VanDerWaalsContact N-O 3.12Å; F509-F518 WeakPolarHBondContact O-CB 3.13Å; F509-F518 PolarHBondContact O-N 3.02Å; C511-F518 HydrophobicContact CB-CE2 4.39Å; K516-F518 HydrophobicContact CB-CE2 3.65Å; K516-F518 HydrophobicContact CB-CZ 4.05Å; K516-F518 VanDerWaalsContact O-CD2 3.24Å; K516-F518 WeakPolarHBondContact O-CD2 3.17Å; K516-F518 WeakPolarHBondContact O-CE2 3.36Å; F518-L524 HydrophobicContact CB-CB 4.25Å; F518-L524 HydrophobicContact CD2-CB 4.42Å; F518-L524 HydrophobicContact CD2-CD1 4Å; F518-L524 HydrophobicContact CE2-CD1 4.46Å; F518-L524 HydrophobicContact CG-CB 4.48Å; F518-H527 HydrophobicContact CE1-CB 3.98Å; F518-H527 HydrophobicContact CE2-CB 4.03Å; F518-H527 AromaticContact CE2-CD2 3.1Å; F518-H527 WeakPolarHBondContact CE2-CD2 3.43Å; F518-H527 AromaticContact CE2-CG 3.63Å; F518-H527 AromaticContact CE2-NE2 3.8Å; F518-H527 HydrophobicContact CZ-CB 3.61Å; F518-H527 AromaticContact CZ-CD2 3.26Å; F518-H527 WeakPolarHBondContact CZ-CD2 3.33Å; F518-H527 AromaticContact CZ-CG 3.28Å; F518-H527 AromaticContact CZ-ND1 3.96Å; F518-H527 AromaticContact CZ-NE2 3.88Å
519	S	51.7	Low	57.1	Low	88 Å²	88	80.2 Å²	80.2	62%	0.615	41%	0.414	S	S	*	.	S	Bend	trans	-87.2	-2.3	-179.6	50.5	0	0	0	0	114.3
520	S	62.5	Low	57.2	Low	40 Å²	40	79.3 Å²	79.3	28%	0.28	42%	0.416	S	S	.	.			trans	-150.3	142.8	176.5	173.9	0	0	0	0	111.1	F509 S522 T523 L524	F509-S520 VanDerWaalsContact CD2-CA 3.44Å; S520-S522 PolarHBondContact O-N 2.64Å; S520-S522 PolarHBondContact OG-N 2.7Å; S520-S522 PolarHBondContact OG-OG 3.13Å; S520-T523 PolarHBondContact N-OG1 3.49Å; S520-T523 PolarHBondContact O-N 3.4Å; S520-T523 VanDerWaalsContact O-N 3.12Å; S520-T523 PolarHBondContact O-OG1 2.62Å; S520-L524 PolarHBondContact O-N 2.63Å
521	S	53.1	Low	58.1	Low	61 Å²	61	78.9 Å²	78.9	43%	0.427	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-28.2	173.1	55	0	0	0	0	112.3	R525	S521-R525 WeakPolarHBondContact O-CB 3.11Å; S521-R525 PolarHBondContact O-N 2.87Å
522	S	57.2	Low	58.4	Low	86 Å²	86	84.5 Å²	84.5	60%	0.601	44%	0.435	S	S	*	.	H	α-helix	trans	-69	-39	174.4	-41.8	0	0	0	0	112	S520 M526	S520-S522 PolarHBondContact O-N 2.64Å; S520-S522 PolarHBondContact OG-N 2.7Å; S520-S522 PolarHBondContact OG-OG 3.13Å; S522-M526 WeakPolarHBondContact O-CB 3.32Å; S522-M526 PolarHBondContact O-N 2.96Å; S522-M526 VanDerWaalsContact O-N 3.11Å
523	T	63.2	Low	58.2	Low	49 Å²	49	83.7 Å²	83.7	30%	0.301	43%	0.434	S	S	.	.	H	α-helix	trans	-77.4	-30	176	50.9	0	0	0	0	112	S520 M526 H527	S520-T523 PolarHBondContact N-OG1 3.49Å; S520-T523 PolarHBondContact O-N 3.4Å; S520-T523 VanDerWaalsContact O-N 3.12Å; S520-T523 PolarHBondContact O-OG1 2.62Å; T523-M526 HydrophobicContact CG2-CE 4.42Å; T523-H527 WeakPolarHBondContact O-CB 3.32Å; T523-H527 PolarHBondContact O-N 3.23Å; T523-H527 VanDerWaalsContact O-N 3.13Å
524	L	61.6	Low	58.2	Low	18 Å²	18	80.2 Å²	80.2	9%	0.094	42%	0.421	C	S	.	.	H	α-helix	trans	-62	-55.6	167.4	173.5	60	0	0	0	111.1	F509 C511 F518 S520 M526 H527 E528	F509-L524 HydrophobicContact CB-CB 3.77Å; F509-L524 HydrophobicContact CB-CD2 3.72Å; F509-L524 HydrophobicContact CB-CG 4.31Å; C511-L524 HydrophobicContact CB-CD1 3.54Å; F518-L524 HydrophobicContact CB-CB 4.25Å; F518-L524 HydrophobicContact CD2-CB 4.42Å; F518-L524 HydrophobicContact CD2-CD1 4Å; F518-L524 HydrophobicContact CE2-CD1 4.46Å; F518-L524 HydrophobicContact CG-CB 4.48Å; S520-L524 PolarHBondContact O-N 2.63Å; L524-M526 VanDerWaalsContact C-N 3.26Å; L524-M526 PolarHBondContact O-N 3.1Å; L524-H527 CarbonylContact O-C 3.31Å; L524-H527 WeakPolarHBondContact O-CA 3.24Å; L524-H527 WeakPolarHBondContact O-CB 3.42Å; L524-H527 PolarHBondContact O-N 3.41Å; L524-E528 HydrophobicContact CD1-CG 3.76Å; L524-E528 HydrophobicContact CG-CG 4.12Å; L524-E528 WeakPolarHBondContact O-CG 3.5Å; L524-E528 PolarHBondContact O-N 3.43Å
525	R	64.5	Low	58.1	Low	193 Å²	193	83 Å²	83	73%	0.728	43%	0.428	S	S	*	.	H	α-helix	trans	-56.1	-39.2	178.5	-85.4	-172.8	164.4	-154.1	-3.7	113.2	S521 H527 E528 K529	S521-R525 WeakPolarHBondContact O-CB 3.11Å; S521-R525 PolarHBondContact O-N 2.87Å; R525-H527 PolarHBondContact O-N 3.35Å; R525-E528 WeakPolarHBondContact CA-OE2 3.46Å; R525-E528 PolarHBondContact O-N 2.97Å; R525-K529 PolarHBondContact O-N 3.09Å; R525-K529 VanDerWaalsContact O-N 3.08Å
526	M	59.9	Low	58.5	Low	103 Å²	103	82.1 Å²	82.1	51%	0.507	42%	0.42	S	S	.	.	H	α-helix	trans	-65.1	-27.6	174.9	-173.2	177.8	70.4	0	0	112.9	S522 T523 L524 L548	S522-M526 WeakPolarHBondContact O-CB 3.32Å; S522-M526 PolarHBondContact O-N 2.96Å; S522-M526 VanDerWaalsContact O-N 3.11Å; T523-M526 HydrophobicContact CG2-CE 4.42Å; L524-M526 VanDerWaalsContact C-N 3.26Å; L524-M526 PolarHBondContact O-N 3.1Å; M526-L548 HydrophobicContact CG-CD1 4.44Å; M526-L548 HydrophobicContact SD-CD1 3.92Å
527	H	67.4	Low	59.5	Low	23 Å²	23	78.8 Å²	78.8	11%	0.106	41%	0.406	C	S	.	.	H	α-helix	trans	-88.3	-28.5	173.3	170.4	59.5	0	0	0	113.3	C514 F518 T523 L524 R525 K529 S530 H531	C514-H527 PolarHBondContact SG-NE2 3.4Å; F518-H527 HydrophobicContact CE1-CB 3.98Å; F518-H527 HydrophobicContact CE2-CB 4.03Å; F518-H527 AromaticContact CE2-CD2 3.1Å; F518-H527 WeakPolarHBondContact CE2-CD2 3.43Å; F518-H527 AromaticContact CE2-CG 3.63Å; F518-H527 AromaticContact CE2-NE2 3.8Å; F518-H527 HydrophobicContact CZ-CB 3.61Å; F518-H527 AromaticContact CZ-CD2 3.26Å; F518-H527 WeakPolarHBondContact CZ-CD2 3.33Å; F518-H527 AromaticContact CZ-CG 3.28Å; F518-H527 AromaticContact CZ-ND1 3.96Å; F518-H527 AromaticContact CZ-NE2 3.88Å; T523-H527 WeakPolarHBondContact O-CB 3.32Å; T523-H527 PolarHBondContact O-N 3.23Å; T523-H527 VanDerWaalsContact O-N 3.13Å; L524-H527 CarbonylContact O-C 3.31Å; L524-H527 WeakPolarHBondContact O-CA 3.24Å; L524-H527 WeakPolarHBondContact O-CB 3.42Å; L524-H527 PolarHBondContact O-N 3.41Å; R525-H527 PolarHBondContact O-N 3.35Å; H527-K529 VanDerWaalsContact C-N 3.27Å; H527-K529 PolarHBondContact O-N 3.36Å; H527-S530 PolarHBondContact ND1-OG 3.43Å; H527-S530 WeakPolarHBondContact O-CA 3.25Å; H527-S530 WeakPolarHBondContact O-CB 3.46Å; H527-S530 PolarHBondContact O-N 3.08Å; H527-S530 PolarHBondContact O-OG 3.45Å; H527-H531 AromaticContact CD2-NE2 3.81Å; H527-H531 AromaticContact CE1-CE1 3.7Å; H527-H531 AromaticContact CE1-NE2 3.18Å; H527-H531 PolarHBondContact CE1-NE2 3.13Å; H527-H531 AromaticContact NE2-CE1 3.82Å; H527-H531 AromaticContact NE2-NE2 3Å; H527-H531 PolarHBondContact NE2-NE2 2.99Å
528	E	65.1	Low	60.8	Low	62 Å²	62	78.9 Å²	78.9	29%	0.29	41%	0.409	S	S	.	.	H	α-helix	trans	-65	-35.8	171.7	-71.5	169.6	148.5	0	0	110.9	L524 R525 S530 H531 Q532	L524-E528 HydrophobicContact CD1-CG 3.76Å; L524-E528 HydrophobicContact CG-CG 4.12Å; L524-E528 WeakPolarHBondContact O-CG 3.5Å; L524-E528 PolarHBondContact O-N 3.43Å; R525-E528 WeakPolarHBondContact CA-OE2 3.46Å; R525-E528 PolarHBondContact O-N 2.97Å; E528-S530 PolarHBondContact O-N 3.28Å; E528-S530 VanDerWaalsContact O-N 3.07Å; E528-H531 PolarHBondContact O-N 2.88Å; E528-Q532 PolarHBondContact O-N 3.48Å
529	K	65.7	Low	61.6	Low	96 Å²	96	76.7 Å²	76.7	42%	0.417	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-13	163.6	-79.1	-164.3	165.9	-143.6	0	115.1	R525 H527 E536 H547	R525-K529 PolarHBondContact O-N 3.09Å; R525-K529 VanDerWaalsContact O-N 3.08Å; H527-K529 VanDerWaalsContact C-N 3.27Å; H527-K529 PolarHBondContact O-N 3.36Å; K529-E536 IonicContact NZ-OE1 3.4Å; K529-H547 PolarHBondContact O-CE1 3.24Å; K529-H547 PolarHBondContact O-ND1 2.98Å
530	S	57.2	Low	62.6	Low	48 Å²	48	79.9 Å²	79.9	34%	0.336	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.7	172.9	72.1	0	0	0	0	115	H527 E528 H547	H527-S530 PolarHBondContact ND1-OG 3.43Å; H527-S530 WeakPolarHBondContact O-CA 3.25Å; H527-S530 WeakPolarHBondContact O-CB 3.46Å; H527-S530 PolarHBondContact O-N 3.08Å; H527-S530 PolarHBondContact O-OG 3.45Å; E528-S530 PolarHBondContact O-N 3.28Å; E528-S530 VanDerWaalsContact O-N 3.07Å; S530-H547 WeakPolarHBondContact CA-NE2 3.39Å
531	H	61.5	Low	62.9	Low	67 Å²	67	82.6 Å²	82.6	31%	0.31	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-32.6	166.5	-57	-65.3	0	0	0	111.5	C511 M513 C514 H527 E528	C511-H531 PolarHBondContact SG-CD2 2.96Å; C511-H531 PolarHBondContact SG-NE2 2.35Å; M513-H531 HydrophobicContact CB-CB 4.19Å; M513-H531 HydrophobicContact CG-CB 4.24Å; C514-H531 PolarHBondContact SG-CE1 3.24Å; C514-H531 PolarHBondContact SG-NE2 3.01Å; H527-H531 AromaticContact CD2-NE2 3.81Å; H527-H531 AromaticContact CE1-CE1 3.7Å; H527-H531 AromaticContact CE1-NE2 3.18Å; H527-H531 PolarHBondContact CE1-NE2 3.13Å; H527-H531 AromaticContact NE2-CE1 3.82Å; H527-H531 AromaticContact NE2-NE2 3Å; H527-H531 PolarHBondContact NE2-NE2 2.99Å; E528-H531 PolarHBondContact O-N 2.88Å
532	Q	62.7	Low	63.9	Low	118 Å²	118	82.2 Å²	82.2	55%	0.551	42%	0.421	S	S	*	.	S	Bend	trans	-66.6	132.5	166.8	-66.6	176.2	-21.1	0	0	109.7	E528 T534	E528-Q532 PolarHBondContact O-N 3.48Å; Q532-T534 PolarHBondContact O-N 2.83Å
533	Q	52.4	Low	64.4	Low	171 Å²	171	80.8 Å²	80.8	80%	0.799	42%	0.42	S	S	*	.			trans	-78.1	19.3	-176.1	-59.5	-166.7	11.2	0	0	114	K535	Q533-K535 PolarHBondContact O-N 3.2Å
534	T	55.3	Low	64.6	Low	68 Å²	68	84.3 Å²	84.3	42%	0.417	43%	0.431	S	S	.	.			trans	-71.3	73	171.9	41.2	0	0	0	0	110.5	Q532 E536 H547	Q532-T534 PolarHBondContact O-N 2.83Å; T534-E536 VanDerWaalsContact C-N 3.26Å; T534-E536 PolarHBondContact O-N 2.87Å; T534-E536 VanDerWaalsContact O-N 3.15Å; T534-H547 PolarHBondContact O-ND1 3.25Å
535	K	54.6	Low	64.7	Low	105 Å²	105	85.6 Å²	85.6	46%	0.457	44%	0.44	S	S	.	.			trans	-88.4	56.6	-176	-75.8	171.8	160.9	-168.7	0	111.1	Q533 F537 T545	Q533-K535 PolarHBondContact O-N 3.2Å; K535-F537 PolarHBondContact O-N 3.5Å; K535-T545 HydrophobicContact CB-CG2 3.78Å; K535-T545 HydrophobicContact CD-CG2 4.07Å; K535-T545 WeakPolarHBondContact CD-OG1 3.36Å; K535-T545 WeakPolarHBondContact CE-OG1 3.13Å; K535-T545 HydrophobicContact CG-CG2 4.29Å; K535-T545 PolarHBondContact NZ-OG1 3.26Å
536	E	61.7	Low	65.1	Low	113 Å²	113	78.6 Å²	78.6	53%	0.528	42%	0.415	S	S	.	.			trans	-51.6	-24.2	-172.6	-65.4	166.8	-157.2	0	0	114.8	K529 T534	K529-E536 IonicContact NZ-OE1 3.4Å; T534-E536 VanDerWaalsContact C-N 3.26Å; T534-E536 PolarHBondContact O-N 2.87Å; T534-E536 VanDerWaalsContact O-N 3.15Å
537	F	66.9	Low	65.3	Low	54 Å²	54	76 Å²	76	24%	0.237	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	90.7	-175.3	-56.1	-72.7	0	0	0	112.2	K535 F546 R549 L552	K535-F537 PolarHBondContact O-N 3.5Å; F537-F546 WeakPolarHBondContact CB-O 3.36Å; F537-F546 PolarHBondContact N-O 3.35Å; F537-F546 PolarHBondContact O-N 3.44Å; F537-R549 HydrophobicContact CD1-CB 3.85Å; F537-R549 HydrophobicContact CD1-CG 3.88Å; F537-R549 HydrophobicContact CD2-CB 4.26Å; F537-R549 HydrophobicContact CE1-CB 3.78Å; F537-R549 HydrophobicContact CE1-CG 3.88Å; F537-R549 HydrophobicContact CE2-CB 4.2Å; F537-R549 HydrophobicContact CG-CB 4.11Å; F537-R549 HydrophobicContact CZ-CB 3.97Å; F537-L552 HydrophobicContact CB-CB 3.98Å; F537-L552 HydrophobicContact CB-CD2 3.74Å; F537-L552 HydrophobicContact CB-CG 4.46Å
538	A	73.4	Confident	65.3	Low	47 Å²	47	77.8 Å²	77.8	39%	0.388	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	152	173.8	0	0	0	0	0	113	T545 L552	A538-T545 HydrophobicContact CB-CG2 3.68Å; A538-L552 WeakPolarHBondContact O-CD1 3.29Å; A538-L552 VanDerWaalsContact O-CD2 3.24Å; A538-L552 WeakPolarHBondContact O-CD2 3.36Å
539	C	76.6	Confident	65.4	Low	1 Å²	1	83 Å²	83	1%	0.007	43%	0.429	C	S	.	.			trans	-100	106.9	173.2	-174.3	0	0	0	0	110.9	T541 C542 G543 K544 F546 L552 H559	C539-T541 PolarHBondContact O-N 2.81Å; C539-C542 PolarHBondContact O-N 3.17Å; C539-C542 VanDerWaalsContact O-N 3.09Å; C539-G543 PolarHBondContact O-N 3.34Å; C539-K544 VanDerWaalsContact CB-O 3.23Å; C539-K544 WeakPolarHBondContact CB-O 3.48Å; C539-K544 PolarHBondContact N-O 2.72Å; C539-F546 HydrophobicContact CB-CE2 4.31Å; C539-L552 HydrophobicContact CB-CD1 3.56Å; C539-H559 VanDerWaalsContact SG-CD2 3.57Å
540	N	72.5	Confident	65.5	Low	155 Å²	155	83.7 Å²	83.7	83%	0.829	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.4	-177.5	-54.1	24.3	0	0	0	113.2
541	T	69.3	Low	66.1	Low	97 Å²	97	85.7 Å²	85.7	60%	0.595	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.3	-177	-36	0	0	0	0	114.4	C539 H559	C539-T541 PolarHBondContact O-N 2.81Å; T541-H559 HydrophobicContact CG2-CB 4Å
542	C	73.8	Confident	66.6	Low	52 Å²	52	83.2 Å²	83.2	35%	0.351	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.1	19.9	-178.5	79.3	0	0	0	0	116.1	C539 K544 H555 H559	C539-C542 PolarHBondContact O-N 3.17Å; C539-C542 VanDerWaalsContact O-N 3.09Å; C542-K544 PolarHBondContact O-N 2.76Å; C542-K544 VanDerWaalsContact SG-CD 3.59Å; C542-H555 PolarHBondContact SG-NE2 2.92Å; C542-H559 PolarHBondContact SG-CE1 3.26Å; C542-H559 PolarHBondContact SG-NE2 3.23Å
543	G	67.8	Low	67	Low	56 Å²	56	84.9 Å²	84.9	58%	0.577	43%	0.428	S	S	*	.			trans	66.6	-7	176.8	0	0	0	0	0	116.7	C539 T545	C539-G543 PolarHBondContact O-N 3.34Å; G543-T545 PolarHBondContact O-N 3.46Å
544	K	67.1	Low	67.8	Low	123 Å²	123	79.9 Å²	79.9	54%	0.535	40%	0.403	S	S	.	.			trans	-64.7	132.1	-178.3	-72.9	174.8	-170.4	158.3	0	110.1	C539 C542 F546	C539-K544 VanDerWaalsContact CB-O 3.23Å; C539-K544 WeakPolarHBondContact CB-O 3.48Å; C539-K544 PolarHBondContact N-O 2.72Å; C542-K544 PolarHBondContact O-N 2.76Å; C542-K544 VanDerWaalsContact SG-CD 3.59Å; K544-F546 HydrophobicContact CB-CE2 3.82Å; K544-F546 HydrophobicContact CB-CZ 3.99Å; K544-F546 VanDerWaalsContact O-CE2 3.29Å; K544-F546 WeakPolarHBondContact O-CE2 3.21Å
545	T	63.2	Low	68.8	Low	45 Å²	45	77.1 Å²	77.1	28%	0.276	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	-165.4	20.7	0	0	0	0	110.9	K535 A538 G543	K535-T545 HydrophobicContact CB-CG2 3.78Å; K535-T545 HydrophobicContact CD-CG2 4.07Å; K535-T545 WeakPolarHBondContact CD-OG1 3.36Å; K535-T545 WeakPolarHBondContact CE-OG1 3.13Å; K535-T545 HydrophobicContact CG-CG2 4.29Å; K535-T545 PolarHBondContact NZ-OG1 3.26Å; A538-T545 HydrophobicContact CB-CG2 3.68Å; G543-T545 PolarHBondContact O-N 3.46Å
546	F	72.4	Confident	69.6	Low	46 Å²	46	75.4 Å²	75.4	20%	0.202	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146	-169.6	-57.7	-90.7	0	0	0	111.1	F537 C539 K544 L548 M551 L552 H555	F537-F546 WeakPolarHBondContact CB-O 3.36Å; F537-F546 PolarHBondContact N-O 3.35Å; F537-F546 PolarHBondContact O-N 3.44Å; C539-F546 HydrophobicContact CB-CE2 4.31Å; K544-F546 HydrophobicContact CB-CE2 3.82Å; K544-F546 HydrophobicContact CB-CZ 3.99Å; K544-F546 VanDerWaalsContact O-CE2 3.29Å; K544-F546 WeakPolarHBondContact O-CE2 3.21Å; F546-L548 VanDerWaalsContact C-N 3.3Å; F546-M551 HydrophobicContact CB-CB 4.34Å; F546-M551 HydrophobicContact CD1-CB 3.97Å; F546-M551 HydrophobicContact CG-CB 4.42Å; F546-L552 HydrophobicContact CB-CB 4.3Å; F546-L552 HydrophobicContact CD2-CB 4.07Å; F546-L552 HydrophobicContact CD2-CD1 3.97Å; F546-L552 HydrophobicContact CE2-CD1 4.26Å; F546-L552 HydrophobicContact CG-CB 4.37Å; F546-H555 HydrophobicContact CE1-CB 4.08Å; F546-H555 HydrophobicContact CE2-CB 3.91Å; F546-H555 AromaticContact CE2-CD2 3.38Å; F546-H555 WeakPolarHBondContact CE2-CD2 3.13Å; F546-H555 AromaticContact CE2-CG 3.8Å; F546-H555 HydrophobicContact CZ-CB 3.5Å; F546-H555 VanDerWaalsContact CZ-CB 3.5Å; F546-H555 AromaticContact CZ-CD2 3.38Å; F546-H555 WeakPolarHBondContact CZ-CD2 3.42Å; F546-H555 AromaticContact CZ-CG 3.38Å
547	H	64.4	Low	70.3	Confident	50 Å²	50	73.8 Å²	73.8	23%	0.231	37%	0.368	C	S	.	.	S	Bend	trans	-89.9	5	-179.4	-48	-77	0	0	0	112.9	K529 S530 T534	K529-H547 PolarHBondContact O-CE1 3.24Å; K529-H547 PolarHBondContact O-ND1 2.98Å; S530-H547 WeakPolarHBondContact CA-NE2 3.39Å; T534-H547 PolarHBondContact O-ND1 3.25Å
548	L	66.9	Low	70.3	Confident	59 Å²	59	76.3 Å²	76.3	31%	0.309	38%	0.38	S	S	.	.	S	Bend	trans	-147.8	122	-175.3	-71	169.5	0	0	0	110.3	M526 F546 H550 M551 L552	M526-L548 HydrophobicContact CG-CD1 4.44Å; M526-L548 HydrophobicContact SD-CD1 3.92Å; F546-L548 VanDerWaalsContact C-N 3.3Å; L548-H550 PolarHBondContact O-N 2.86Å; L548-H550 VanDerWaalsContact O-N 3.09Å; L548-M551 HydrophobicContact CB-CB 4.28Å; L548-M551 HydrophobicContact CB-CG 4.07Å; L548-M551 HydrophobicContact CD1-CG 4.38Å; L548-M551 WeakPolarHBondContact O-CB 3.48Å; L548-M551 PolarHBondContact O-N 3.07Å; L548-L552 PolarHBondContact O-N 3.13Å; L548-L552 VanDerWaalsContact O-N 3.16Å
549	R	68.3	Low	70.3	Confident	173 Å²	173	77.5 Å²	77.5	65%	0.653	38%	0.378	S	S	*	.	H	α-helix	trans	-55.4	-29.5	-178.9	-164.3	174.6	-177.6	-174.9	1.4	114.2	F537 R553	F537-R549 HydrophobicContact CD1-CB 3.85Å; F537-R549 HydrophobicContact CD1-CG 3.88Å; F537-R549 HydrophobicContact CD2-CB 4.26Å; F537-R549 HydrophobicContact CE1-CB 3.78Å; F537-R549 HydrophobicContact CE1-CG 3.88Å; F537-R549 HydrophobicContact CE2-CB 4.2Å; F537-R549 HydrophobicContact CG-CB 4.11Å; F537-R549 HydrophobicContact CZ-CB 3.97Å; R549-R553 WeakPolarHBondContact O-CB 3.27Å; R549-R553 PolarHBondContact O-N 3.42Å
550	H	67	Low	70	Confident	110 Å²	110	82.4 Å²	82.4	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-76	-28.4	175.8	69.6	-107.6	0	0	0	113.4	L548 Y554	L548-H550 PolarHBondContact O-N 2.86Å; L548-H550 VanDerWaalsContact O-N 3.09Å; H550-Y554 WeakPolarHBondContact O-CB 3.05Å; H550-Y554 PolarHBondContact O-N 3.46Å
551	M	69.7	Low	69.7	Low	89 Å²	89	77 Å²	77	44%	0.438	39%	0.389	S	S	.	.	H	α-helix	trans	-73.7	-39	173.3	-69.6	-64.6	178.9	0	0	110.7	F546 L548 Y554 H555	F546-M551 HydrophobicContact CB-CB 4.34Å; F546-M551 HydrophobicContact CD1-CB 3.97Å; F546-M551 HydrophobicContact CG-CB 4.42Å; L548-M551 HydrophobicContact CB-CB 4.28Å; L548-M551 HydrophobicContact CB-CG 4.07Å; L548-M551 HydrophobicContact CD1-CG 4.38Å; L548-M551 WeakPolarHBondContact O-CB 3.48Å; L548-M551 PolarHBondContact O-N 3.07Å; M551-Y554 PolarHBondContact O-N 3.28Å; M551-H555 WeakPolarHBondContact O-CB 3.5Å; M551-H555 PolarHBondContact O-N 3.25Å
552	L	73.2	Confident	69.8	Low	15 Å²	15	75.6 Å²	75.6	8%	0.079	38%	0.377	C	S	.	.	H	α-helix	trans	-57.6	-50.9	168	172.3	61.1	0	0	0	110.9	F537 A538 C539 F546 L548 Y554 H555 Q556	F537-L552 HydrophobicContact CB-CB 3.98Å; F537-L552 HydrophobicContact CB-CD2 3.74Å; F537-L552 HydrophobicContact CB-CG 4.46Å; A538-L552 WeakPolarHBondContact O-CD1 3.29Å; A538-L552 VanDerWaalsContact O-CD2 3.24Å; A538-L552 WeakPolarHBondContact O-CD2 3.36Å; C539-L552 HydrophobicContact CB-CD1 3.56Å; F546-L552 HydrophobicContact CB-CB 4.3Å; F546-L552 HydrophobicContact CD2-CB 4.07Å; F546-L552 HydrophobicContact CD2-CD1 3.97Å; F546-L552 HydrophobicContact CE2-CD1 4.26Å; F546-L552 HydrophobicContact CG-CB 4.37Å; L548-L552 PolarHBondContact O-N 3.13Å; L548-L552 VanDerWaalsContact O-N 3.16Å; L552-Y554 VanDerWaalsContact C-N 3.33Å; L552-Y554 PolarHBondContact O-N 2.87Å; L552-H555 CarbonylContact O-C 3.59Å; L552-H555 PolarHBondContact O-N 2.81Å; L552-Q556 HydrophobicContact CD1-CG 3.88Å; L552-Q556 HydrophobicContact CG-CG 4.27Å; L552-Q556 WeakPolarHBondContact O-CG 3.21Å; L552-Q556 PolarHBondContact O-N 3Å
553	R	70.6	Confident	69.9	Low	153 Å²	153	80 Å²	80	58%	0.577	39%	0.387	S	S	*	.	H	α-helix	trans	-58.8	-41.7	178.8	-171.7	-174.9	-69.7	169	-5.8	112.4	R549 H555 Q556 R557	R549-R553 WeakPolarHBondContact O-CB 3.27Å; R549-R553 PolarHBondContact O-N 3.42Å; R553-H555 VanDerWaalsContact C-N 3.34Å; R553-Q556 PolarHBondContact O-N 2.86Å; R553-R557 PolarHBondContact O-N 2.97Å
554	Y	69.8	Low	70.2	Confident	66 Å²	66	80 Å²	80	26%	0.259	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-39.4	174.3	172.2	-104.8	0	0	0	112.4	H550 M551 L552 L575 Q576 Q579	H550-Y554 WeakPolarHBondContact O-CB 3.05Å; H550-Y554 PolarHBondContact O-N 3.46Å; M551-Y554 PolarHBondContact O-N 3.28Å; L552-Y554 VanDerWaalsContact C-N 3.33Å; L552-Y554 PolarHBondContact O-N 2.87Å; Y554-L575 HydrophobicContact CE2-CB 3.89Å; Y554-Q576 HydrophobicContact CD2-CG 4.32Å; Y554-Q576 HydrophobicContact CE2-CG 3.58Å; Y554-Q579 PolarHBondContact OH-NE2 3.45Å
555	H	75.3	Confident	70.7	Confident	11 Å²	11	77 Å²	77	5%	0.051	37%	0.365	C	S	.	.	H	α-helix	trans	-70.7	-37.8	176.4	177.9	52.5	0	0	0	112.8	C542 F546 M551 L552 R553 R557 Q558 H559	C542-H555 PolarHBondContact SG-NE2 2.92Å; F546-H555 HydrophobicContact CE1-CB 4.08Å; F546-H555 HydrophobicContact CE2-CB 3.91Å; F546-H555 AromaticContact CE2-CD2 3.38Å; F546-H555 WeakPolarHBondContact CE2-CD2 3.13Å; F546-H555 AromaticContact CE2-CG 3.8Å; F546-H555 HydrophobicContact CZ-CB 3.5Å; F546-H555 VanDerWaalsContact CZ-CB 3.5Å; F546-H555 AromaticContact CZ-CD2 3.38Å; F546-H555 WeakPolarHBondContact CZ-CD2 3.42Å; F546-H555 AromaticContact CZ-CG 3.38Å; M551-H555 WeakPolarHBondContact O-CB 3.5Å; M551-H555 PolarHBondContact O-N 3.25Å; L552-H555 CarbonylContact O-C 3.59Å; L552-H555 PolarHBondContact O-N 2.81Å; R553-H555 VanDerWaalsContact C-N 3.34Å; H555-R557 PolarHBondContact O-N 3.33Å; H555-Q558 PolarHBondContact ND1-OE1 3.17Å; H555-Q558 WeakPolarHBondContact O-CB 3.28Å; H555-Q558 WeakPolarHBondContact O-CG 3.36Å; H555-Q558 PolarHBondContact O-N 2.82Å; H555-H559 AromaticContact CD2-NE2 3.83Å; H555-H559 AromaticContact CE1-CE1 3.95Å; H555-H559 AromaticContact CE1-NE2 3.36Å; H555-H559 PolarHBondContact CE1-NE2 2.95Å; H555-H559 AromaticContact NE2-CD2 3.94Å; H555-H559 AromaticContact NE2-CE1 3.91Å; H555-H559 AromaticContact NE2-NE2 3.04Å; H555-H559 PolarHBondContact NE2-NE2 2.99Å
556	Q	72.7	Confident	71.4	Confident	69 Å²	69	78.6 Å²	78.6	32%	0.322	37%	0.374	S	S	.	.	H	α-helix	trans	-58.7	-35.1	176.1	-76.1	169.8	-44.7	0	0	112.3	L552 R553 Q558 H559 T560	L552-Q556 HydrophobicContact CD1-CG 3.88Å; L552-Q556 HydrophobicContact CG-CG 4.27Å; L552-Q556 WeakPolarHBondContact O-CG 3.21Å; L552-Q556 PolarHBondContact O-N 3Å; R553-Q556 PolarHBondContact O-N 2.86Å; Q556-Q558 PolarHBondContact O-N 2.69Å; Q556-Q558 VanDerWaalsContact O-N 3.16Å; Q556-H559 PolarHBondContact O-N 3.47Å; Q556-T560 PolarHBondContact O-N 3.42Å; Q556-T560 PolarHBondContact O-OG1 3.31Å
557	R	76.1	Confident	71.8	Confident	79 Å²	79	76.4 Å²	76.4	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-20.7	171.9	-69	-176.6	158.6	164.6	-5.4	114.6	R553 H555 H559 G561 D562 L575	R553-R557 PolarHBondContact O-N 2.97Å; H555-R557 PolarHBondContact O-N 3.33Å; R557-H559 VanDerWaalsContact C-N 3.32Å; R557-G561 PolarHBondContact O-N 2.87Å; R557-D562 HydrophobicContact CB-CB 4.37Å; R557-D562 WeakPolarHBondContact CD-OD2 3.36Å; R557-D562 HydrophobicContact CG-CB 4.08Å; R557-D562 WeakPolarHBondContact CG-OD2 3.41Å; R557-D562 IonicContact CZ-OD2 2.79Å; R557-D562 IonicContact NE-OD2 3.25Å; R557-D562 PolarHBondContact NE-OD2 3Å; R557-D562 IonicContact NH2-OD2 3.13Å; R557-D562 PolarHBondContact NH2-OD2 2.6Å; R557-D562 PolarHBondContact O-N 2.84Å; R557-L575 HydrophobicContact CB-CD2 4.16Å
558	Q	67.1	Low	72.3	Confident	106 Å²	106	78.1 Å²	78.1	50%	0.495	39%	0.387	S	S	.	.	H	α-helix	trans	-75.3	-24.8	174.2	-51.9	-169.5	-72	0	0	112.3	H555 Q556 L575	H555-Q558 PolarHBondContact ND1-OE1 3.17Å; H555-Q558 WeakPolarHBondContact O-CB 3.28Å; H555-Q558 WeakPolarHBondContact O-CG 3.36Å; H555-Q558 PolarHBondContact O-N 2.82Å; Q556-Q558 PolarHBondContact O-N 2.69Å; Q556-Q558 VanDerWaalsContact O-N 3.16Å; Q558-L575 HydrophobicContact CG-CD1 3.9Å
559	H	73.2	Confident	72.5	Confident	72 Å²	72	82.2 Å²	82.2	33%	0.333	40%	0.403	S	S	.	.	H	α-helix	trans	-90.3	-41.1	176.1	-58.8	-62.6	0	0	0	112.1	C539 T541 C542 H555 Q556 R557 G561	C539-H559 VanDerWaalsContact SG-CD2 3.57Å; T541-H559 HydrophobicContact CG2-CB 4Å; C542-H559 PolarHBondContact SG-CE1 3.26Å; C542-H559 PolarHBondContact SG-NE2 3.23Å; H555-H559 AromaticContact CD2-NE2 3.83Å; H555-H559 AromaticContact CE1-CE1 3.95Å; H555-H559 AromaticContact CE1-NE2 3.36Å; H555-H559 PolarHBondContact CE1-NE2 2.95Å; H555-H559 AromaticContact NE2-CD2 3.94Å; H555-H559 AromaticContact NE2-CE1 3.91Å; H555-H559 AromaticContact NE2-NE2 3.04Å; H555-H559 PolarHBondContact NE2-NE2 2.99Å; Q556-H559 PolarHBondContact O-N 3.47Å; R557-H559 VanDerWaalsContact C-N 3.32Å; H559-G561 PolarHBondContact O-N 2.8Å
560	T	68.7	Low	73	Confident	105 Å²	105	76 Å²	76	64%	0.644	39%	0.386	S	S	*	.	H	α-helix	trans	-77.8	-8	179.6	63.3	0	0	0	0	113.9	Q556 D562	Q556-T560 PolarHBondContact O-N 3.42Å; Q556-T560 PolarHBondContact O-OG1 3.31Å; T560-D562 PolarHBondContact O-N 3.33Å; T560-D562 VanDerWaalsContact O-N 3.13Å; T560-D562 WeakPolarHBondContact OG1-CB 3.24Å; T560-D562 PolarHBondContact OG1-N 2.98Å
561	G	67.1	Low	73.3	Confident	42 Å²	42	76.8 Å²	76.8	43%	0.433	39%	0.394	S	S	.	.			trans	70.3	-0.8	-174.9	0	0	0	0	0	115.1	R557 H559 R563	R557-G561 PolarHBondContact O-N 2.87Å; H559-G561 PolarHBondContact O-N 2.8Å; G561-R563 WeakPolarHBondContact O-CD 3.43Å; G561-R563 VanDerWaalsContact O-CG 3.27Å; G561-R563 WeakPolarHBondContact O-CG 3.11Å; G561-R563 PolarHBondContact O-N 2.9Å; G561-R563 VanDerWaalsContact O-N 3.15Å
562	D	70.9	Confident	73.5	Confident	66 Å²	66	78.5 Å²	78.5	35%	0.353	40%	0.399	S	S	.	.			trans	-56.3	113.1	-178.9	172	26.5	0	0	0	111.4	R557 T560 P564 L575	R557-D562 HydrophobicContact CB-CB 4.37Å; R557-D562 WeakPolarHBondContact CD-OD2 3.36Å; R557-D562 HydrophobicContact CG-CB 4.08Å; R557-D562 WeakPolarHBondContact CG-OD2 3.41Å; R557-D562 IonicContact CZ-OD2 2.79Å; R557-D562 IonicContact NE-OD2 3.25Å; R557-D562 PolarHBondContact NE-OD2 3Å; R557-D562 IonicContact NH2-OD2 3.13Å; R557-D562 PolarHBondContact NH2-OD2 2.6Å; R557-D562 PolarHBondContact O-N 2.84Å; T560-D562 PolarHBondContact O-N 3.33Å; T560-D562 VanDerWaalsContact O-N 3.13Å; T560-D562 WeakPolarHBondContact OG1-CB 3.24Å; T560-D562 PolarHBondContact OG1-N 2.98Å; D562-P564 WeakPolarHBondContact O-CD 3.43Å; D562-P564 WeakPolarHBondContact OD1-CD 3.47Å; D562-P564 WeakPolarHBondContact OD1-CG 3.33Å; D562-L575 WeakPolarHBondContact O-CD2 3.46Å
563	R	76.1	Confident	73.6	Confident	144 Å²	144	78.3 Å²	78.3	54%	0.543	40%	0.4	S	S	.	.			trans	-125.1	76.3	-175.9	-74.6	156.1	-178.4	-125.4	19.3	110.1	G561 H565 G573 F574 L575	G561-R563 WeakPolarHBondContact O-CD 3.43Å; G561-R563 VanDerWaalsContact O-CG 3.27Å; G561-R563 WeakPolarHBondContact O-CG 3.11Å; G561-R563 PolarHBondContact O-N 2.9Å; G561-R563 VanDerWaalsContact O-N 3.15Å; R563-H565 PolarHBondContact O-N 3.24Å; R563-G573 WeakPolarHBondContact CD-O 3.21Å; R563-G573 PolarHBondContact NH1-O 3.35Å; R563-F574 CarbonylContact C-O 3.57Å; R563-F574 VanDerWaalsContact C-O 3.31Å; R563-F574 WeakPolarHBondContact CA-O 3.26Å; R563-L575 HydrophobicContact CG-CD2 3.94Å
564	P	73.9	Confident	74	Confident	58 Å²	58	73.1 Å²	73.1	38%	0.377	38%	0.382	S	S	.	.			trans	-66	-3.8	-171.4	-19	29.9	0	0	0	115.7	D562	D562-P564 WeakPolarHBondContact O-CD 3.43Å; D562-P564 WeakPolarHBondContact OD1-CD 3.47Å; D562-P564 WeakPolarHBondContact OD1-CG 3.33Å
565	H	78	Confident	74.1	Confident	59 Å²	59	71.3 Å²	71.3	27%	0.273	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	83.6	-174.4	-59	-62	0	0	0	109.3	R563 F574 A577 L580	R563-H565 PolarHBondContact O-N 3.24Å; H565-F574 HydrophobicContact CB-CB 4.39Å; H565-F574 PolarHBondContact N-O 3.41Å; H565-F574 PolarHBondContact O-N 3.16Å; H565-A577 PolarHBondContact CD2-N 3.17Å; H565-A577 PolarHBondContact NE2-N 2.97Å; H565-L580 HydrophobicContact CB-CB 4.01Å; H565-L580 HydrophobicContact CB-CD2 3.84Å
566	V	78	Confident	74	Confident	79 Å²	79	74.2 Å²	74.2	48%	0.479	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.3	178.6	-177.3	0	0	0	0	110.1	N571	V566-N571 HydrophobicContact CG1-CB 4.35Å
567	C	80.4	Confident	74.1	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.387	C	S	.	.			trans	-81.9	116.4	175.3	-171.1	0	0	0	0	111.5	F569 C570 N571 K572 F574 L580 H587	C567-F569 PolarHBondContact O-N 2.8Å; C567-F569 VanDerWaalsContact O-N 3.1Å; C567-C570 PolarHBondContact O-N 3.4Å; C567-C570 VanDerWaalsContact O-N 3.16Å; C567-N571 VanDerWaalsContact O-CA 3.32Å; C567-N571 WeakPolarHBondContact O-CA 3.34Å; C567-N571 PolarHBondContact O-N 3.35Å; C567-K572 PolarHBondContact N-O 2.78Å; C567-F574 HydrophobicContact CB-CE2 4.37Å; C567-L580 VanDerWaalsContact CA-CD1 3.48Å; C567-L580 HydrophobicContact CB-CD1 3.42Å; C567-L580 VanDerWaalsContact CB-CD1 3.42Å; C567-H587 VanDerWaalsContact SG-CD2 3.58Å
568	A	75.3	Confident	74	Confident	86 Å²	86	71.3 Å²	71.3	71%	0.711	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.3	-179	0	0	0	0	0	114.2
569	F	70.9	Confident	74.3	Confident	144 Å²	144	69.1 Å²	69.1	63%	0.632	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.3	-178	-61.4	-76.4	0	0	0	114.9	C567 H587	C567-F569 PolarHBondContact O-N 2.8Å; C567-F569 VanDerWaalsContact O-N 3.1Å; F569-H587 HydrophobicContact CB-CB 4.4Å; F569-H587 HydrophobicContact CD2-CB 4.43Å; F569-H587 HydrophobicContact CG-CB 4.36Å
570	C	79.2	Confident	74.6	Confident	43 Å²	43	66.7 Å²	66.7	29%	0.291	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	11.7	-176.1	72.4	0	0	0	0	115.5	C567 K572 H583 H587	C567-C570 PolarHBondContact O-N 3.4Å; C567-C570 VanDerWaalsContact O-N 3.16Å; C570-K572 PolarHBondContact O-N 2.97Å; C570-H583 PolarHBondContact SG-NE2 2.88Å; C570-H587 PolarHBondContact SG-NE2 3.28Å
571	N	73.1	Confident	74.9	Confident	127 Å²	127	69.1 Å²	69.1	68%	0.679	37%	0.368	S	S	*	.			trans	52.5	18.3	-179.9	-63.8	-28.3	0	0	0	116.6	V566 C567 G573	V566-N571 HydrophobicContact CG1-CB 4.35Å; C567-N571 VanDerWaalsContact O-CA 3.32Å; C567-N571 WeakPolarHBondContact O-CA 3.34Å; C567-N571 PolarHBondContact O-N 3.35Å; N571-G573 PolarHBondContact O-N 2.84Å
572	K	75	Confident	75	Confident	125 Å²	125	72.1 Å²	72.1	54%	0.543	37%	0.371	S	S	.	.			trans	-74.1	116.4	173.8	-71.3	174.7	-175.2	170.7	0	110	C567 C570 F574	C567-K572 PolarHBondContact N-O 2.78Å; C570-K572 PolarHBondContact O-N 2.97Å; K572-F574 HydrophobicContact CB-CE2 3.87Å; K572-F574 HydrophobicContact CB-CZ 4.05Å; K572-F574 VanDerWaalsContact O-CD2 3.23Å; K572-F574 WeakPolarHBondContact O-CD2 3.39Å; K572-F574 WeakPolarHBondContact O-CE2 3.39Å
573	G	75.3	Confident	75.3	Confident	11 Å²	11	70 Å²	70	11%	0.113	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.4	176.3	0	0	0	0	0	113.6	R563 N571	R563-G573 WeakPolarHBondContact CD-O 3.21Å; R563-G573 PolarHBondContact NH1-O 3.35Å; N571-G573 PolarHBondContact O-N 2.84Å
574	F	79.1	Confident	75.3	Confident	43 Å²	43	65.7 Å²	65.7	19%	0.189	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.8	178.4	-62.6	-83.7	0	0	0	112.8	R563 H565 C567 K572 Q579 L580 H583	R563-F574 CarbonylContact C-O 3.57Å; R563-F574 VanDerWaalsContact C-O 3.31Å; R563-F574 WeakPolarHBondContact CA-O 3.26Å; H565-F574 HydrophobicContact CB-CB 4.39Å; H565-F574 PolarHBondContact N-O 3.41Å; H565-F574 PolarHBondContact O-N 3.16Å; C567-F574 HydrophobicContact CB-CE2 4.37Å; K572-F574 HydrophobicContact CB-CE2 3.87Å; K572-F574 HydrophobicContact CB-CZ 4.05Å; K572-F574 VanDerWaalsContact O-CD2 3.23Å; K572-F574 WeakPolarHBondContact O-CD2 3.39Å; K572-F574 WeakPolarHBondContact O-CE2 3.39Å; F574-Q579 HydrophobicContact CB-CB 4.05Å; F574-Q579 HydrophobicContact CD1-CB 3.96Å; F574-Q579 HydrophobicContact CG-CB 4.24Å; F574-L580 HydrophobicContact CB-CB 4.37Å; F574-L580 HydrophobicContact CD2-CB 4.13Å; F574-L580 HydrophobicContact CD2-CD1 3.96Å; F574-L580 HydrophobicContact CE2-CD1 4.29Å; F574-L580 HydrophobicContact CG-CB 4.46Å; F574-H583 HydrophobicContact CE1-CB 4.11Å; F574-H583 HydrophobicContact CE2-CB 3.75Å; F574-H583 AromaticContact CE2-CD2 3.44Å; F574-H583 VanDerWaalsContact CE2-CD2 3.44Å; F574-H583 WeakPolarHBondContact CE2-CD2 3.4Å; F574-H583 AromaticContact CE2-CG 3.52Å; F574-H583 HydrophobicContact CZ-CB 3.51Å; F574-H583 AromaticContact CZ-CD2 3.59Å; F574-H583 AromaticContact CZ-CG 3.23Å; F574-H583 AromaticContact CZ-ND1 3.55Å
575	L	71.1	Confident	75.4	Confident	28 Å²	28	64.9 Å²	64.9	15%	0.147	34%	0.337	C	S	.	.	S	Bend	trans	-81.9	-16.7	-178.7	-57.3	175.3	0	0	0	113.1	Y554 R557 Q558 D562 R563	Y554-L575 HydrophobicContact CE2-CB 3.89Å; R557-L575 HydrophobicContact CB-CD2 4.16Å; Q558-L575 HydrophobicContact CG-CD1 3.9Å; D562-L575 WeakPolarHBondContact O-CD2 3.46Å; R563-L575 HydrophobicContact CG-CD2 3.94Å
576	Q	73.9	Confident	75	Confident	72 Å²	72	66 Å²	66	34%	0.336	35%	0.345	S	S	.	.	S	Bend	trans	-143.5	142.9	-179.9	-55.3	-173.1	-12.7	0	0	111.9	Y554 S578 Q579 L580	Y554-Q576 HydrophobicContact CD2-CG 4.32Å; Y554-Q576 HydrophobicContact CE2-CG 3.58Å; Q576-S578 WeakPolarHBondContact CB-OG 3.38Å; Q576-S578 PolarHBondContact O-N 2.96Å; Q576-S578 VanDerWaalsContact O-N 3.15Å; Q576-S578 PolarHBondContact OE1-OG 2.69Å; Q576-Q579 HydrophobicContact CB-CG 4.09Å; Q576-Q579 WeakPolarHBondContact O-CB 3.42Å; Q576-Q579 PolarHBondContact O-N 2.7Å; Q576-L580 PolarHBondContact O-N 3.24Å; Q576-L580 VanDerWaalsContact O-N 3.09Å
577	A	74.4	Confident	74.7	Confident	30 Å²	30	66 Å²	66	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-23.1	173.7	0	0	0	0	0	113.8	H565 R581	H565-A577 PolarHBondContact CD2-N 3.17Å; H565-A577 PolarHBondContact NE2-N 2.97Å; A577-R581 WeakPolarHBondContact O-CG 3.48Å; A577-R581 PolarHBondContact O-N 3.14Å
578	S	73.5	Confident	74.1	Confident	57 Å²	57	69.9 Å²	69.9	40%	0.399	36%	0.363	S	S	.	.	H	α-helix	trans	-66	-41	170.6	48.2	0	0	0	0	112.4	Q576 Q582	Q576-S578 WeakPolarHBondContact CB-OG 3.38Å; Q576-S578 PolarHBondContact O-N 2.96Å; Q576-S578 VanDerWaalsContact O-N 3.15Å; Q576-S578 PolarHBondContact OE1-OG 2.69Å; S578-Q582 WeakPolarHBondContact O-CB 3.47Å; S578-Q582 PolarHBondContact O-N 3.04Å; S578-Q582 VanDerWaalsContact O-N 3.1Å
579	Q	74	Confident	73.7	Confident	60 Å²	60	67.4 Å²	67.4	28%	0.28	35%	0.346	S	S	.	.	H	α-helix	trans	-71.1	-40.7	177.6	-63.1	164.1	-1.5	0	0	110.4	Y554 F574 Q576 Q582 H583	Y554-Q579 PolarHBondContact OH-NE2 3.45Å; F574-Q579 HydrophobicContact CB-CB 4.05Å; F574-Q579 HydrophobicContact CD1-CB 3.96Å; F574-Q579 HydrophobicContact CG-CB 4.24Å; Q576-Q579 HydrophobicContact CB-CG 4.09Å; Q576-Q579 WeakPolarHBondContact O-CB 3.42Å; Q576-Q579 PolarHBondContact O-N 2.7Å; Q579-Q582 PolarHBondContact O-N 3.05Å; Q579-H583 WeakPolarHBondContact O-CB 3.18Å; Q579-H583 PolarHBondContact O-N 2.93Å
580	L	78.9	Confident	73.5	Confident	21 Å²	21	64.3 Å²	64.3	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-59.2	-53.4	173	173.5	57.8	0	0	0	111.5	H565 C567 F574 Q576 Q582 H583 E584	H565-L580 HydrophobicContact CB-CB 4.01Å; H565-L580 HydrophobicContact CB-CD2 3.84Å; C567-L580 VanDerWaalsContact CA-CD1 3.48Å; C567-L580 HydrophobicContact CB-CD1 3.42Å; C567-L580 VanDerWaalsContact CB-CD1 3.42Å; F574-L580 HydrophobicContact CB-CB 4.37Å; F574-L580 HydrophobicContact CD2-CB 4.13Å; F574-L580 HydrophobicContact CD2-CD1 3.96Å; F574-L580 HydrophobicContact CE2-CD1 4.29Å; F574-L580 HydrophobicContact CG-CB 4.46Å; Q576-L580 PolarHBondContact O-N 3.24Å; Q576-L580 VanDerWaalsContact O-N 3.09Å; L580-Q582 VanDerWaalsContact C-N 3.26Å; L580-Q582 PolarHBondContact O-N 3.46Å; L580-H583 CarbonylContact O-C 3.31Å; L580-H583 WeakPolarHBondContact O-CA 3.39Å; L580-H583 VanDerWaalsContact O-CB 3.32Å; L580-H583 WeakPolarHBondContact O-CB 3.46Å; L580-H583 PolarHBondContact O-N 3.37Å; L580-E584 HydrophobicContact CD1-CG 3.98Å; L580-E584 WeakPolarHBondContact CD1-OE1 3.38Å; L580-E584 HydrophobicContact CG-CG 4.41Å; L580-E584 WeakPolarHBondContact CG-OE1 3.17Å; L580-E584 WeakPolarHBondContact O-CG 3.36Å; L580-E584 PolarHBondContact O-N 3.36Å
581	R	74.6	Confident	73.3	Confident	156 Å²	156	66.4 Å²	66.4	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-58.8	-36.1	177.3	-74.1	-169.8	-62.4	-91.6	5.8	113.4	A577 H583 E584 L585	A577-R581 WeakPolarHBondContact O-CG 3.48Å; A577-R581 PolarHBondContact O-N 3.14Å; R581-H583 VanDerWaalsContact C-N 3.28Å; R581-H583 PolarHBondContact O-N 3.13Å; R581-E584 VanDerWaalsContact CA-OE2 3.32Å; R581-E584 WeakPolarHBondContact CA-OE2 3.41Å; R581-E584 PolarHBondContact O-N 3.17Å; R581-L585 PolarHBondContact O-N 2.91Å
582	Q	70.1	Confident	73.2	Confident	105 Å²	105	63.9 Å²	63.9	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-69.8	-26.7	174.5	-158.8	-158.5	-80.3	0	0	112.8	S578 Q579 L580 T604	S578-Q582 WeakPolarHBondContact O-CB 3.47Å; S578-Q582 PolarHBondContact O-N 3.04Å; S578-Q582 VanDerWaalsContact O-N 3.1Å; Q579-Q582 PolarHBondContact O-N 3.05Å; L580-Q582 VanDerWaalsContact C-N 3.26Å; L580-Q582 PolarHBondContact O-N 3.46Å; Q582-T604 HydrophobicContact CG-CG2 3.66Å
583	H	77.6	Confident	73.2	Confident	23 Å²	23	60.5 Å²	60.5	11%	0.106	32%	0.319	C	S	.	.	H	α-helix	trans	-80.2	-34.7	174.7	177.6	73.3	0	0	0	112.3	C570 F574 Q579 L580 R581 L585 L586 H587	C570-H583 PolarHBondContact SG-NE2 2.88Å; F574-H583 HydrophobicContact CE1-CB 4.11Å; F574-H583 HydrophobicContact CE2-CB 3.75Å; F574-H583 AromaticContact CE2-CD2 3.44Å; F574-H583 VanDerWaalsContact CE2-CD2 3.44Å; F574-H583 WeakPolarHBondContact CE2-CD2 3.4Å; F574-H583 AromaticContact CE2-CG 3.52Å; F574-H583 HydrophobicContact CZ-CB 3.51Å; F574-H583 AromaticContact CZ-CD2 3.59Å; F574-H583 AromaticContact CZ-CG 3.23Å; F574-H583 AromaticContact CZ-ND1 3.55Å; Q579-H583 WeakPolarHBondContact O-CB 3.18Å; Q579-H583 PolarHBondContact O-N 2.93Å; L580-H583 CarbonylContact O-C 3.31Å; L580-H583 WeakPolarHBondContact O-CA 3.39Å; L580-H583 VanDerWaalsContact O-CB 3.32Å; L580-H583 WeakPolarHBondContact O-CB 3.46Å; L580-H583 PolarHBondContact O-N 3.37Å; R581-H583 VanDerWaalsContact C-N 3.28Å; R581-H583 PolarHBondContact O-N 3.13Å; H583-L585 PolarHBondContact O-N 2.88Å; H583-L586 WeakPolarHBondContact ND1-CD1 3.27Å; H583-L586 WeakPolarHBondContact O-CB 3.38Å; H583-L586 VanDerWaalsContact O-CG 3.3Å; H583-L586 WeakPolarHBondContact O-CG 3.15Å; H583-L586 PolarHBondContact O-N 3.03Å; H583-H587 AromaticContact CD2-NE2 3.74Å; H583-H587 AromaticContact NE2-CE1 3.93Å; H583-H587 AromaticContact NE2-NE2 3.22Å; H583-H587 PolarHBondContact NE2-NE2 2.96Å
584	E	75.9	Confident	73.3	Confident	53 Å²	53	68.1 Å²	68.1	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-30.5	176.2	-71.8	161.7	162	0	0	112.1	L580 R581 L586 H587 T588	L580-E584 HydrophobicContact CD1-CG 3.98Å; L580-E584 WeakPolarHBondContact CD1-OE1 3.38Å; L580-E584 HydrophobicContact CG-CG 4.41Å; L580-E584 WeakPolarHBondContact CG-OE1 3.17Å; L580-E584 WeakPolarHBondContact O-CG 3.36Å; L580-E584 PolarHBondContact O-N 3.36Å; R581-E584 VanDerWaalsContact CA-OE2 3.32Å; R581-E584 WeakPolarHBondContact CA-OE2 3.41Å; R581-E584 PolarHBondContact O-N 3.17Å; E584-L586 PolarHBondContact O-N 3.19Å; E584-L586 VanDerWaalsContact O-N 3.13Å; E584-H587 PolarHBondContact O-N 3.2Å; E584-T588 PolarHBondContact O-N 3.4Å; E584-T588 PolarHBondContact O-OG1 3.18Å
585	L	74.8	Confident	73.4	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.209	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-9.5	168.5	-63.5	174.6	0	0	0	114.4	R581 H583 V590 P592 R603	R581-L585 PolarHBondContact O-N 2.91Å; H583-L585 PolarHBondContact O-N 2.88Å; L585-V590 HydrophobicContact CD2-CB 4.02Å; L585-V590 HydrophobicContact CD2-CG1 4.32Å; L585-P592 HydrophobicContact CD1-CG 4.38Å; L585-R603 WeakPolarHBondContact O-CD 3.16Å; L585-R603 PolarHBondContact O-NE 3.47Å
586	L	69.3	Low	73.7	Confident	84 Å²	84	73.6 Å²	73.6	44%	0.44	37%	0.37	S	S	.	.	H	α-helix	trans	-75.7	-44.5	167	-57.5	-177.1	0	0	0	110.8	H583 E584 R603	H583-L586 WeakPolarHBondContact ND1-CD1 3.27Å; H583-L586 WeakPolarHBondContact O-CB 3.38Å; H583-L586 VanDerWaalsContact O-CG 3.3Å; H583-L586 WeakPolarHBondContact O-CG 3.15Å; H583-L586 PolarHBondContact O-N 3.03Å; E584-L586 PolarHBondContact O-N 3.19Å; E584-L586 VanDerWaalsContact O-N 3.13Å; L586-R603 PolarHBondContact O-NH2 2.97Å
587	H	71.8	Confident	73.8	Confident	77 Å²	77	76.4 Å²	76.4	36%	0.356	38%	0.383	S	S	.	.	H	α-helix	trans	-75	-45.2	-176.8	-57.7	-55.8	0	0	0	112.4	C567 F569 C570 H583 E584 G589	C567-H587 VanDerWaalsContact SG-CD2 3.58Å; F569-H587 HydrophobicContact CB-CB 4.4Å; F569-H587 HydrophobicContact CD2-CB 4.43Å; F569-H587 HydrophobicContact CG-CB 4.36Å; C570-H587 PolarHBondContact SG-NE2 3.28Å; H583-H587 AromaticContact CD2-NE2 3.74Å; H583-H587 AromaticContact NE2-CE1 3.93Å; H583-H587 AromaticContact NE2-NE2 3.22Å; H583-H587 PolarHBondContact NE2-NE2 2.96Å; E584-H587 PolarHBondContact O-N 3.2Å; H587-G589 PolarHBondContact O-N 3.48Å
588	T	68.7	Low	74	Confident	82 Å²	82	77.3 Å²	77.3	50%	0.503	39%	0.387	S	S	.	.	S	Bend	trans	-74.4	-5.5	178.5	63.3	0	0	0	0	113.5	E584 V590	E584-T588 PolarHBondContact O-N 3.4Å; E584-T588 PolarHBondContact O-OG1 3.18Å; T588-V590 PolarHBondContact O-N 3.18Å
589	G	67.3	Low	74.2	Confident	34 Å²	34	76.2 Å²	76.2	35%	0.351	39%	0.385	S	S	.	.			trans	69.5	-17.6	-177.8	0	0	0	0	0	115.7	H587 K591	H587-G589 PolarHBondContact O-N 3.48Å; G589-K591 WeakPolarHBondContact O-CG 3.31Å
590	V	66.5	Low	74.3	Confident	79 Å²	79	79.6 Å²	79.6	48%	0.479	40%	0.399	S	S	.	.			trans	-58.8	131.9	-172	-179.3	0	0	0	0	112.3	L585 T588 P592	L585-V590 HydrophobicContact CD2-CB 4.02Å; L585-V590 HydrophobicContact CD2-CG1 4.32Å; T588-V590 PolarHBondContact O-N 3.18Å; V590-P592 HydrophobicContact CG1-CG 4.18Å
591	K	74.5	Confident	74.3	Confident	87 Å²	87	82.7 Å²	82.7	38%	0.378	41%	0.413	S	S	.	.			trans	-124.5	87.5	-179.8	-62.7	171.2	-134	139.2	0	110	G589 H593 E601 F602 R603	G589-K591 WeakPolarHBondContact O-CG 3.31Å; K591-H593 PolarHBondContact O-N 3.03Å; K591-E601 HydrophobicContact CB-CB 3.72Å; K591-E601 HydrophobicContact CD-CB 3.53Å; K591-E601 WeakPolarHBondContact CD-OE2 2.86Å; K591-E601 HydrophobicContact CG-CB 4.26Å; K591-E601 IonicContact NZ-OE2 3.02Å; K591-E601 PolarHBondContact NZ-OE2 2.09Å; K591-F602 CarbonylContact C-O 3.43Å; K591-R603 HydrophobicContact CB-CG 4.49Å; K591-R603 HydrophobicContact CG-CG 3.8Å
592	P	70.3	Confident	74.4	Confident	74 Å²	74	77.3 Å²	77.3	48%	0.481	39%	0.394	S	S	.	.			trans	-65.4	-1.7	-168.3	-24.2	35.2	0	0	0	117.1	L585 V590	L585-P592 HydrophobicContact CD1-CG 4.38Å; V590-P592 HydrophobicContact CG1-CG 4.18Å
593	H	75.3	Confident	74.3	Confident	55 Å²	55	76.7 Å²	76.7	26%	0.255	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	95.4	-175.3	-51.6	-58.7	0	0	0	111.1	K591 E601 F602 P605 Y608	K591-H593 PolarHBondContact O-N 3.03Å; H593-E601 CarbonylContact O-C 3.57Å; H593-E601 WeakPolarHBondContact O-CA 3.42Å; H593-F602 HydrophobicContact CB-CB 4.41Å; H593-F602 PolarHBondContact N-O 2.77Å; H593-F602 PolarHBondContact O-N 2.63Å; H593-P605 WeakPolarHBondContact NE2-CD 3.38Å; H593-P605 WeakPolarHBondContact NE2-CG 3.47Å; H593-Y608 HydrophobicContact CB-CD1 3.97Å; H593-Y608 HydrophobicContact CB-CD2 4.41Å; H593-Y608 HydrophobicContact CB-CG 3.79Å
594	R	77.9	Confident	74	Confident	170 Å²	170	76 Å²	76	64%	0.642	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.2	174.5	-172.9	169.6	178.4	-159.7	-1.9	110.5	E601	R594-E601 HydrophobicContact CB-CG 4.25Å; R594-E601 HydrophobicContact CG-CG 4.05Å
595	C	80.6	Confident	73.7	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.007	39%	0.394	C	S	.	.			trans	-90.4	114.7	172	-175.2	0	0	0	0	110.2	Q597 C598 G599 K600 F602 Y608 H615	C595-Q597 VanDerWaalsContact C-N 3.26Å; C595-Q597 PolarHBondContact O-N 2.91Å; C595-C598 PolarHBondContact O-N 2.8Å; C595-G599 VanDerWaalsContact O-CA 3.27Å; C595-G599 WeakPolarHBondContact O-CA 3.45Å; C595-G599 PolarHBondContact O-N 2.65Å; C595-K600 VanDerWaalsContact CB-O 3.28Å; C595-K600 WeakPolarHBondContact CB-O 3.22Å; C595-K600 PolarHBondContact N-O 3.44Å; C595-F602 HydrophobicContact CB-CE2 4.43Å; C595-Y608 HydrophobicContact CB-CD2 4.47Å; C595-Y608 HydrophobicContact CB-CE2 3.85Å; C595-H615 PolarHBondContact SG-NE2 3.07Å; C595-H615 VanDerWaalsContact SG-NE2 3.36Å
596	E	76.8	Confident	73.5	Confident	185 Å²	185	81.1 Å²	81.1	86%	0.864	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-37	178.3	-65.7	163.5	177.7	0	0	112	C598	E596-C598 VanDerWaalsContact C-N 3.33Å; E596-C598 PolarHBondContact O-N 3.09Å
597	Q	76.6	Confident	73.8	Confident	132 Å²	132	79.8 Å²	79.8	62%	0.617	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.2	-174.9	-64.7	179.9	-56.9	0	0	115.3	C595 H615	C595-Q597 VanDerWaalsContact C-N 3.26Å; C595-Q597 PolarHBondContact O-N 2.91Å; Q597-H615 PolarHBondContact OE1-CD2 2.8Å; Q597-H615 VanDerWaalsContact OE1-CD2 3.23Å
598	C	79.4	Confident	74	Confident	49 Å²	49	78.7 Å²	78.7	33%	0.331	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156	14.8	179.9	72.2	0	0	0	0	115	C595 E596 K600 H611 H615	C595-C598 PolarHBondContact O-N 2.8Å; E596-C598 VanDerWaalsContact C-N 3.33Å; E596-C598 PolarHBondContact O-N 3.09Å; C598-K600 PolarHBondContact O-N 3.31Å; C598-H611 PolarHBondContact SG-NE2 2.72Å; C598-H615 VanDerWaalsContact SG-CE1 3.56Å; C598-H615 PolarHBondContact SG-NE2 3.47Å
599	G	76.8	Confident	74.2	Confident	34 Å²	34	80.7 Å²	80.7	35%	0.351	40%	0.403	S	S	.	.			trans	69.1	-17	-177.9	0	0	0	0	0	116.4	C595	C595-G599 VanDerWaalsContact O-CA 3.27Å; C595-G599 WeakPolarHBondContact O-CA 3.45Å; C595-G599 PolarHBondContact O-N 2.65Å
600	K	76.4	Confident	74.5	Confident	130 Å²	130	84.2 Å²	84.2	57%	0.565	41%	0.406	S	S	*	.			trans	-63.6	136.6	-170.4	-68.4	177.1	-176.7	175.6	0	112.6	C595 C598 F602	C595-K600 VanDerWaalsContact CB-O 3.28Å; C595-K600 WeakPolarHBondContact CB-O 3.22Å; C595-K600 PolarHBondContact N-O 3.44Å; C598-K600 PolarHBondContact O-N 3.31Å; K600-F602 HydrophobicContact CB-CE2 3.87Å; K600-F602 HydrophobicContact CB-CZ 3.94Å; K600-F602 VanDerWaalsContact O-CE2 3.27Å; K600-F602 WeakPolarHBondContact O-CE2 3.35Å
601	E	78.3	Confident	75	Confident	87 Å²	87	81.5 Å²	81.5	41%	0.407	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144	-170.1	-61.6	179.3	147.9	0	0	112.6	K591 H593 R594	K591-E601 HydrophobicContact CB-CB 3.72Å; K591-E601 HydrophobicContact CD-CB 3.53Å; K591-E601 WeakPolarHBondContact CD-OE2 2.86Å; K591-E601 HydrophobicContact CG-CB 4.26Å; K591-E601 IonicContact NZ-OE2 3.02Å; K591-E601 PolarHBondContact NZ-OE2 2.09Å; H593-E601 CarbonylContact O-C 3.57Å; H593-E601 WeakPolarHBondContact O-CA 3.42Å; R594-E601 HydrophobicContact CB-CG 4.25Å; R594-E601 HydrophobicContact CG-CG 4.05Å
602	F	76.9	Confident	75	Confident	43 Å²	43	79.2 Å²	79.2	19%	0.189	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.4	-172	-58.6	-85.8	0	0	0	112.4	K591 H593 C595 K600 T604 N607 Y608 H611	K591-F602 CarbonylContact C-O 3.43Å; H593-F602 HydrophobicContact CB-CB 4.41Å; H593-F602 PolarHBondContact N-O 2.77Å; H593-F602 PolarHBondContact O-N 2.63Å; C595-F602 HydrophobicContact CB-CE2 4.43Å; K600-F602 HydrophobicContact CB-CE2 3.87Å; K600-F602 HydrophobicContact CB-CZ 3.94Å; K600-F602 VanDerWaalsContact O-CE2 3.27Å; K600-F602 WeakPolarHBondContact O-CE2 3.35Å; F602-T604 VanDerWaalsContact C-N 3.31Å; F602-T604 PolarHBondContact O-N 2.99Å; F602-N607 HydrophobicContact CB-CB 4.4Å; F602-N607 HydrophobicContact CD1-CB 4.12Å; F602-Y608 AromaticContact CD2-CD2 3.86Å; F602-Y608 HydrophobicContact CD2-CD2 3.86Å; F602-Y608 HydrophobicContact CE2-CD2 4.38Å; F602-H611 HydrophobicContact CE1-CB 3.86Å; F602-H611 HydrophobicContact CE2-CB 3.85Å; F602-H611 AromaticContact CE2-CD2 3.22Å; F602-H611 WeakPolarHBondContact CE2-CD2 3.3Å; F602-H611 AromaticContact CE2-CG 3.56Å; F602-H611 AromaticContact CE2-NE2 3.98Å; F602-H611 HydrophobicContact CZ-CB 3.44Å; F602-H611 VanDerWaalsContact CZ-CB 3.44Å; F602-H611 AromaticContact CZ-CD2 3.38Å; F602-H611 WeakPolarHBondContact CZ-CD2 3.32Å; F602-H611 AromaticContact CZ-CG 3.21Å; F602-H611 AromaticContact CZ-ND1 3.82Å
603	R	69.1	Low	75.4	Confident	92 Å²	92	76.7 Å²	76.7	35%	0.347	36%	0.362	S	S	.	.	S	Bend	trans	-76	-10.7	177.7	-61.9	-178.1	169.7	119.6	-11.6	114.5	L585 L586 K591	L585-R603 WeakPolarHBondContact O-CD 3.16Å; L585-R603 PolarHBondContact O-NE 3.47Å; L586-R603 PolarHBondContact O-NH2 2.97Å; K591-R603 HydrophobicContact CB-CG 4.49Å; K591-R603 HydrophobicContact CG-CG 3.8Å
604	T	70.4	Confident	75.4	Confident	8 Å²	8	77.5 Å²	77.5	5%	0.049	37%	0.37	C	S	.	.	S	Bend	trans	-143.2	148.6	-179.1	76	0	0	0	0	113.1	Q582 F602 Q606 N607 Y608	Q582-T604 HydrophobicContact CG-CG2 3.66Å; F602-T604 VanDerWaalsContact C-N 3.31Å; F602-T604 PolarHBondContact O-N 2.99Å; T604-Q606 VanDerWaalsContact C-N 3.27Å; T604-Q606 PolarHBondContact O-N 2.63Å; T604-N607 PolarHBondContact O-N 2.89Å; T604-N607 WeakPolarHBondContact OG1-CB 3.28Å; T604-N607 VanDerWaalsContact OG1-CG 3.26Å; T604-N607 PolarHBondContact OG1-N 3.17Å; T604-N607 PolarHBondContact OG1-ND2 3.16Å; T604-N607 VanDerWaalsContact OG1-ND2 3.1Å; T604-Y608 PolarHBondContact O-N 3.4Å
605	P	70.1	Confident	75.2	Confident	71 Å²	71	72.7 Å²	72.7	46%	0.461	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-35.1	177.7	-23.2	31.4	0	0	0	113.4	H593 Y608 H609	H593-P605 WeakPolarHBondContact NE2-CD 3.38Å; H593-P605 WeakPolarHBondContact NE2-CG 3.47Å; P605-Y608 PolarHBondContact O-N 2.99Å; P605-H609 WeakPolarHBondContact O-CB 3.48Å; P605-H609 PolarHBondContact O-N 3.46Å
606	Q	70.3	Confident	74.7	Confident	129 Å²	129	76.3 Å²	76.3	60%	0.603	38%	0.377	S	S	*	.	H	α-helix	trans	-72.3	-36.7	-178	-56.3	81.6	-0.4	0	0	111.5	T604 R610	T604-Q606 VanDerWaalsContact C-N 3.27Å; T604-Q606 PolarHBondContact O-N 2.63Å; Q606-R610 WeakPolarHBondContact O-CB 3.25Å; Q606-R610 PolarHBondContact O-N 3.44Å; Q606-R610 VanDerWaalsContact O-N 3.07Å
607	N	75.8	Confident	74.5	Confident	56 Å²	56	69.1 Å²	69.1	30%	0.299	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-39.5	173.9	-72.9	-28.3	0	0	0	110.9	F602 T604 R610 H611	F602-N607 HydrophobicContact CB-CB 4.4Å; F602-N607 HydrophobicContact CD1-CB 4.12Å; T604-N607 PolarHBondContact O-N 2.89Å; T604-N607 WeakPolarHBondContact OG1-CB 3.28Å; T604-N607 VanDerWaalsContact OG1-CG 3.26Å; T604-N607 PolarHBondContact OG1-N 3.17Å; T604-N607 PolarHBondContact OG1-ND2 3.16Å; T604-N607 VanDerWaalsContact OG1-ND2 3.1Å; N607-R610 VanDerWaalsContact OD1-CZ 3.28Å; N607-R610 PolarHBondContact OD1-NH1 2.83Å; N607-R610 VanDerWaalsContact OD1-NH1 3.16Å; N607-R610 PolarHBondContact OD1-NH2 3.34Å; N607-H611 WeakPolarHBondContact O-CB 3.46Å; N607-H611 PolarHBondContact O-N 3.33Å
608	Y	77.1	Confident	74.1	Confident	55 Å²	55	68.1 Å²	68.1	22%	0.216	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-53.5	174.2	175.7	-131.7	0	0	0	112.3	H593 C595 F602 T604 P605 R610 H611 L612	H593-Y608 HydrophobicContact CB-CD1 3.97Å; H593-Y608 HydrophobicContact CB-CD2 4.41Å; H593-Y608 HydrophobicContact CB-CG 3.79Å; C595-Y608 HydrophobicContact CB-CD2 4.47Å; C595-Y608 HydrophobicContact CB-CE2 3.85Å; F602-Y608 AromaticContact CD2-CD2 3.86Å; F602-Y608 HydrophobicContact CD2-CD2 3.86Å; F602-Y608 HydrophobicContact CE2-CD2 4.38Å; T604-Y608 PolarHBondContact O-N 3.4Å; P605-Y608 PolarHBondContact O-N 2.99Å; Y608-R610 VanDerWaalsContact C-N 3.33Å; Y608-R610 PolarHBondContact O-N 2.95Å; Y608-H611 WeakPolarHBondContact O-CA 3.3Å; Y608-H611 VanDerWaalsContact O-CB 3.32Å; Y608-H611 WeakPolarHBondContact O-CB 3.37Å; Y608-H611 PolarHBondContact O-N 3.39Å; Y608-L612 HydrophobicContact CD2-CG 4.41Å; Y608-L612 HydrophobicContact CE1-CD1 4.1Å; Y608-L612 HydrophobicContact CE2-CD1 4.21Å; Y608-L612 HydrophobicContact CE2-CD2 3.74Å; Y608-L612 HydrophobicContact CE2-CG 3.97Å; Y608-L612 PolarHBondContact O-N 3.27Å
609	H	72.4	Confident	73.8	Confident	123 Å²	123	70.4 Å²	70.4	57%	0.569	35%	0.353	S	S	*	.	H	α-helix	trans	-62.5	-38.7	-179.6	-173.7	63.3	0	0	0	112.2	P605 H611 L612 L613	P605-H609 WeakPolarHBondContact O-CB 3.48Å; P605-H609 PolarHBondContact O-N 3.46Å; H609-H611 PolarHBondContact O-N 3.41Å; H609-L612 PolarHBondContact O-N 3.15Å; H609-L613 PolarHBondContact O-N 3.06Å
610	R	72.3	Confident	73.5	Confident	109 Å²	109	72.1 Å²	72.1	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-25.6	172.5	-170.7	-178.7	71.2	-137.4	-9.6	113.1	Q606 N607 Y608 Q632	Q606-R610 WeakPolarHBondContact O-CB 3.25Å; Q606-R610 PolarHBondContact O-N 3.44Å; Q606-R610 VanDerWaalsContact O-N 3.07Å; N607-R610 VanDerWaalsContact OD1-CZ 3.28Å; N607-R610 PolarHBondContact OD1-NH1 2.83Å; N607-R610 VanDerWaalsContact OD1-NH1 3.16Å; N607-R610 PolarHBondContact OD1-NH2 3.34Å; Y608-R610 VanDerWaalsContact C-N 3.33Å; Y608-R610 PolarHBondContact O-N 2.95Å; R610-Q632 HydrophobicContact CG-CG 4.25Å
611	H	78.6	Confident	73.1	Confident	22 Å²	22	70.5 Å²	70.5	10%	0.102	35%	0.349	C	S	.	.	H	α-helix	trans	-77.5	-35.9	172.8	168.1	61.4	0	0	0	112.4	C598 F602 N607 Y608 H609 L613 V614 H615	C598-H611 PolarHBondContact SG-NE2 2.72Å; F602-H611 HydrophobicContact CE1-CB 3.86Å; F602-H611 HydrophobicContact CE2-CB 3.85Å; F602-H611 AromaticContact CE2-CD2 3.22Å; F602-H611 WeakPolarHBondContact CE2-CD2 3.3Å; F602-H611 AromaticContact CE2-CG 3.56Å; F602-H611 AromaticContact CE2-NE2 3.98Å; F602-H611 HydrophobicContact CZ-CB 3.44Å; F602-H611 VanDerWaalsContact CZ-CB 3.44Å; F602-H611 AromaticContact CZ-CD2 3.38Å; F602-H611 WeakPolarHBondContact CZ-CD2 3.32Å; F602-H611 AromaticContact CZ-CG 3.21Å; F602-H611 AromaticContact CZ-ND1 3.82Å; N607-H611 WeakPolarHBondContact O-CB 3.46Å; N607-H611 PolarHBondContact O-N 3.33Å; Y608-H611 WeakPolarHBondContact O-CA 3.3Å; Y608-H611 VanDerWaalsContact O-CB 3.32Å; Y608-H611 WeakPolarHBondContact O-CB 3.37Å; Y608-H611 PolarHBondContact O-N 3.39Å; H609-H611 PolarHBondContact O-N 3.41Å; H611-L613 PolarHBondContact O-N 3.43Å; H611-V614 WeakPolarHBondContact O-CB 3.49Å; H611-V614 WeakPolarHBondContact O-CG2 3.2Å; H611-V614 PolarHBondContact O-N 2.86Å; H611-H615 AromaticContact CE1-CE1 3.77Å; H611-H615 AromaticContact CE1-NE2 3.44Å; H611-H615 PolarHBondContact CE1-NE2 3.14Å; H611-H615 AromaticContact NE2-CD2 3.95Å; H611-H615 AromaticContact NE2-CE1 3.87Å; H611-H615 AromaticContact NE2-NE2 3.12Å; H611-H615 PolarHBondContact NE2-NE2 3.34Å; H611-H615 VanDerWaalsContact NE2-NE2 3.12Å
612	L	74.6	Confident	72.6	Confident	39 Å²	39	71 Å²	71	20%	0.204	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-32.2	174.7	-63.8	178	0	0	0	112.5	Y608 H609 V614 H615 T616	Y608-L612 HydrophobicContact CD2-CG 4.41Å; Y608-L612 HydrophobicContact CE1-CD1 4.1Å; Y608-L612 HydrophobicContact CE2-CD1 4.21Å; Y608-L612 HydrophobicContact CE2-CD2 3.74Å; Y608-L612 HydrophobicContact CE2-CG 3.97Å; Y608-L612 PolarHBondContact O-N 3.27Å; H609-L612 PolarHBondContact O-N 3.15Å; L612-V614 PolarHBondContact O-N 3.4Å; L612-V614 VanDerWaalsContact O-N 3.07Å; L612-H615 PolarHBondContact O-N 3.04Å; L612-T616 PolarHBondContact O-N 2.86Å; L612-T616 PolarHBondContact O-OG1 3.41Å
613	L	77.3	Confident	72.3	Confident	20 Å²	20	68.9 Å²	68.9	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-9.9	171.3	-58.3	176.2	0	0	0	114.4	H609 H611 E618 P620 R631	H609-L613 PolarHBondContact O-N 3.06Å; H611-L613 PolarHBondContact O-N 3.43Å; L613-E618 HydrophobicContact CD2-CB 3.9Å; L613-P620 HydrophobicContact CD1-CG 4.14Å; L613-P620 HydrophobicContact CD2-CG 4.3Å; L613-R631 WeakPolarHBondContact O-CD 3.21Å; L613-R631 PolarHBondContact O-NE 3.26Å
614	V	76.1	Confident	72.3	Confident	72 Å²	72	69.8 Å²	69.8	44%	0.436	36%	0.362	S	S	.	.	H	α-helix	trans	-74	-50.2	168.5	-177.5	0	0	0	0	109.4	H611 L612 G617 R631	H611-V614 WeakPolarHBondContact O-CB 3.49Å; H611-V614 WeakPolarHBondContact O-CG2 3.2Å; H611-V614 PolarHBondContact O-N 2.86Å; L612-V614 PolarHBondContact O-N 3.4Å; L612-V614 VanDerWaalsContact O-N 3.07Å; V614-G617 PolarHBondContact O-N 3.21Å; V614-R631 PolarHBondContact O-NH2 3.13Å; V614-R631 VanDerWaalsContact O-NH2 3.08Å
615	H	73.6	Confident	72.3	Confident	69 Å²	69	74 Å²	74	32%	0.319	39%	0.388	S	S	.	.	H	α-helix	trans	-74.4	-41.5	-177	-54.5	-44.9	0	0	0	113.3	C595 Q597 C598 H611 L612 G617	C595-H615 PolarHBondContact SG-NE2 3.07Å; C595-H615 VanDerWaalsContact SG-NE2 3.36Å; Q597-H615 PolarHBondContact OE1-CD2 2.8Å; Q597-H615 VanDerWaalsContact OE1-CD2 3.23Å; C598-H615 VanDerWaalsContact SG-CE1 3.56Å; C598-H615 PolarHBondContact SG-NE2 3.47Å; H611-H615 AromaticContact CE1-CE1 3.77Å; H611-H615 AromaticContact CE1-NE2 3.44Å; H611-H615 PolarHBondContact CE1-NE2 3.14Å; H611-H615 AromaticContact NE2-CD2 3.95Å; H611-H615 AromaticContact NE2-CE1 3.87Å; H611-H615 AromaticContact NE2-NE2 3.12Å; H611-H615 PolarHBondContact NE2-NE2 3.34Å; H611-H615 VanDerWaalsContact NE2-NE2 3.12Å; L612-H615 PolarHBondContact O-N 3.04Å; H615-G617 PolarHBondContact O-N 3.33Å
616	T	70.6	Confident	72.5	Confident	77 Å²	77	73.3 Å²	73.3	47%	0.472	38%	0.384	S	S	.	.	S	Bend	trans	-71.6	-8.1	176	65.8	0	0	0	0	112.9	L612 E618	L612-T616 PolarHBondContact O-N 2.86Å; L612-T616 PolarHBondContact O-OG1 3.41Å; T616-E618 PolarHBondContact O-N 2.9Å; T616-E618 WeakPolarHBondContact OG1-CB 3.15Å; T616-E618 WeakPolarHBondContact OG1-CG 3.24Å; T616-E618 PolarHBondContact OG1-OE2 3.01Å
617	G	71.6	Confident	72.5	Confident	35 Å²	35	70.6 Å²	70.6	36%	0.361	38%	0.379	S	S	.	.			trans	68.5	-9.6	-175	0	0	0	0	0	114.8	V614 H615 K619	V614-G617 PolarHBondContact O-N 3.21Å; H615-G617 PolarHBondContact O-N 3.33Å; G617-K619 WeakPolarHBondContact O-CG 3.47Å; G617-K619 PolarHBondContact O-N 3.49Å
618	E	67.9	Low	72.2	Confident	111 Å²	111	76 Å²	76	52%	0.519	40%	0.395	S	S	.	.			trans	-59.9	132.9	-169.7	-71.6	171.8	139	0	0	112.6	L613 T616 P620	L613-E618 HydrophobicContact CD2-CB 3.9Å; T616-E618 PolarHBondContact O-N 2.9Å; T616-E618 WeakPolarHBondContact OG1-CB 3.15Å; T616-E618 WeakPolarHBondContact OG1-CG 3.24Å; T616-E618 PolarHBondContact OG1-OE2 3.01Å; E618-P620 WeakPolarHBondContact O-CD 3.26Å
619	K	74	Confident	72	Confident	96 Å²	96	80 Å²	80	42%	0.417	41%	0.41	S	S	.	.			trans	-120.9	88.1	177.9	-56.4	-171.8	-164	169	0	108.7	G617 Y621 R629 F630 R631	G617-K619 WeakPolarHBondContact O-CG 3.47Å; G617-K619 PolarHBondContact O-N 3.49Å; K619-Y621 VanDerWaalsContact C-N 3.3Å; K619-Y621 PolarHBondContact O-N 2.61Å; K619-R629 HydrophobicContact CB-CB 3.59Å; K619-R629 HydrophobicContact CD-CB 4.21Å; K619-R629 VanDerWaalsContact CD-O 3.23Å; K619-R629 WeakPolarHBondContact CD-O 3.46Å; K619-R629 PolarHBondContact O-NE 2.68Å; K619-R629 PolarHBondContact O-NH2 3.18Å; K619-F630 CarbonylContact C-O 3.37Å; K619-F630 WeakPolarHBondContact CA-O 3.21Å; K619-R631 HydrophobicContact CG-CG 4.1Å
620	P	69.4	Low	72	Confident	71 Å²	71	76.2 Å²	76.2	46%	0.461	39%	0.392	S	S	.	.			trans	-72.1	-18.5	-171.1	-20.9	34.5	0	0	0	114.8	L613 E618	L613-P620 HydrophobicContact CD1-CG 4.14Å; L613-P620 HydrophobicContact CD2-CG 4.3Å; E618-P620 WeakPolarHBondContact O-CD 3.26Å
621	Y	68.9	Low	71.7	Confident	96 Å²	96	75.7 Å²	75.7	38%	0.376	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	103.1	-172	-58.8	-78.1	0	0	0	110.5	K619 R629 F630 Q632	K619-Y621 VanDerWaalsContact C-N 3.3Å; K619-Y621 PolarHBondContact O-N 2.61Å; Y621-R629 CarbonylContact O-C 3.59Å; Y621-R629 WeakPolarHBondContact O-CA 3.06Å; Y621-F630 PolarHBondContact N-O 2.96Å; Y621-F630 VanDerWaalsContact N-O 3.13Å; Y621-F630 PolarHBondContact O-N 3.47Å; Y621-Q632 VanDerWaalsContact CD2-C 3.41Å
622	Q	68	Low	71.3	Confident	96 Å²	96	78.2 Å²	78.2	45%	0.449	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.3	179.2	-177.3	161.4	-20.5	0	0	111.7	S627 R629	Q622-S627 PolarHBondContact NE2-OG 2.85Å; Q622-S627 VanDerWaalsContact NE2-OG 3.12Å; Q622-R629 HydrophobicContact CB-CG 4.09Å; Q622-R629 HydrophobicContact CG-CG 4.04Å
623	C	70.4	Confident	70.8	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.408	C	S	.	.			trans	-72.7	130.5	166.8	173.6	0	0	0	0	110.3	V625 C626 S627 R628 L636 M640	C623-V625 PolarHBondContact SG-N 2.87Å; C623-C626 PolarHBondContact SG-N 3.34Å; C623-C626 VanDerWaalsContact SG-SG 3.66Å; C623-S627 WeakPolarHBondContact O-CA 3.2Å; C623-S627 PolarHBondContact O-N 3.48Å; C623-S627 VanDerWaalsContact O-N 3.11Å; C623-R628 HydrophobicContact CB-CB 4.45Å; C623-R628 WeakPolarHBondContact CB-O 3.49Å; C623-R628 PolarHBondContact N-O 2.83Å; C623-L636 HydrophobicContact CB-CD1 4.02Å; C623-M640 HydrophobicContact CB-CE 3.75Å; C623-M640 WeakPolarHBondContact SG-CE 3.4Å
624	S	69	Low	70.2	Confident	111 Å²	111	82.4 Å²	82.4	78%	0.776	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.2	174.3	45.3	0	0	0	0	113.7
625	V	69.4	Low	70	Confident	96 Å²	96	82.5 Å²	82.5	58%	0.582	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-39.4	-171.9	-170.6	0	0	0	0	112.9	C623 H643	C623-V625 PolarHBondContact SG-N 2.87Å; V625-H643 HydrophobicContact CG1-CB 4.49Å; V625-H643 WeakPolarHBondContact CG1-ND1 3.2Å; V625-H643 HydrophobicContact CG2-CB 4.38Å
626	C	76	Confident	69.7	Low	57 Å²	57	80.7 Å²	80.7	39%	0.385	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	18.2	-178.9	73.5	0	0	0	0	114.5	C623 R628 H639 H643	C623-C626 PolarHBondContact SG-N 3.34Å; C623-C626 VanDerWaalsContact SG-SG 3.66Å; C626-R628 PolarHBondContact O-N 3.16Å; C626-H639 PolarHBondContact SG-NE2 2.86Å; C626-H643 PolarHBondContact SG-CE1 3.22Å; C626-H643 PolarHBondContact SG-NE2 3.38Å; C626-H643 VanDerWaalsContact SG-NE2 3.4Å
627	S	69.9	Low	69.4	Low	72 Å²	72	83.8 Å²	83.8	50%	0.503	42%	0.423	S	S	.	.			trans	55.5	3.1	176.4	-75.2	0	0	0	0	117.7	Q622 C623 R629	Q622-S627 PolarHBondContact NE2-OG 2.85Å; Q622-S627 VanDerWaalsContact NE2-OG 3.12Å; C623-S627 WeakPolarHBondContact O-CA 3.2Å; C623-S627 PolarHBondContact O-N 3.48Å; C623-S627 VanDerWaalsContact O-N 3.11Å; S627-R629 WeakPolarHBondContact O-CG 3.22Å; S627-R629 PolarHBondContact O-N 3.19Å
628	R	70	Confident	69.1	Low	169 Å²	169	83.4 Å²	83.4	64%	0.638	42%	0.415	S	S	*	.			trans	-57	130.5	173.6	-76.9	-174.8	167.7	-170.2	-2.7	110.7	C623 C626 F630	C623-R628 HydrophobicContact CB-CB 4.45Å; C623-R628 WeakPolarHBondContact CB-O 3.49Å; C623-R628 PolarHBondContact N-O 2.83Å; C626-R628 PolarHBondContact O-N 3.16Å; R628-F630 HydrophobicContact CB-CE2 3.81Å; R628-F630 HydrophobicContact CB-CZ 4.01Å; R628-F630 WeakPolarHBondContact O-CD2 3.48Å; R628-F630 VanDerWaalsContact O-CE2 3.25Å; R628-F630 WeakPolarHBondContact O-CE2 3.36Å
629	R	72.5	Confident	69.2	Low	138 Å²	138	78.8 Å²	78.8	52%	0.521	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.1	-175.5	-56.7	-178	61.6	158.6	1.7	111.9	K619 Y621 Q622 S627	K619-R629 HydrophobicContact CB-CB 3.59Å; K619-R629 HydrophobicContact CD-CB 4.21Å; K619-R629 VanDerWaalsContact CD-O 3.23Å; K619-R629 WeakPolarHBondContact CD-O 3.46Å; K619-R629 PolarHBondContact O-NE 2.68Å; K619-R629 PolarHBondContact O-NH2 3.18Å; Y621-R629 CarbonylContact O-C 3.59Å; Y621-R629 WeakPolarHBondContact O-CA 3.06Å; Q622-R629 HydrophobicContact CB-CG 4.09Å; Q622-R629 HydrophobicContact CG-CG 4.04Å; S627-R629 WeakPolarHBondContact O-CG 3.22Å; S627-R629 PolarHBondContact O-N 3.19Å
630	F	71.3	Confident	68.4	Low	45 Å²	45	76.5 Å²	76.5	20%	0.197	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148	-174.1	-60	-90.9	0	0	0	111.9	K619 Y621 R628 Q632 Q635 L636 H639	K619-F630 CarbonylContact C-O 3.37Å; K619-F630 WeakPolarHBondContact CA-O 3.21Å; Y621-F630 PolarHBondContact N-O 2.96Å; Y621-F630 VanDerWaalsContact N-O 3.13Å; Y621-F630 PolarHBondContact O-N 3.47Å; R628-F630 HydrophobicContact CB-CE2 3.81Å; R628-F630 HydrophobicContact CB-CZ 4.01Å; R628-F630 WeakPolarHBondContact O-CD2 3.48Å; R628-F630 VanDerWaalsContact O-CE2 3.25Å; R628-F630 WeakPolarHBondContact O-CE2 3.36Å; F630-Q632 VanDerWaalsContact C-N 3.31Å; F630-Q635 HydrophobicContact CB-CB 4.36Å; F630-Q635 HydrophobicContact CD1-CB 3.92Å; F630-Q635 HydrophobicContact CG-CB 4.44Å; F630-L636 HydrophobicContact CB-CB 4.42Å; F630-L636 HydrophobicContact CD2-CB 4.13Å; F630-L636 HydrophobicContact CD2-CD1 3.88Å; F630-L636 HydrophobicContact CE2-CD1 4.1Å; F630-L636 HydrophobicContact CG-CB 4.39Å; F630-H639 HydrophobicContact CE1-CB 4.05Å; F630-H639 HydrophobicContact CE2-CB 4.03Å; F630-H639 AromaticContact CE2-CD2 3.29Å; F630-H639 WeakPolarHBondContact CE2-CD2 3.5Å; F630-H639 AromaticContact CE2-CG 3.78Å; F630-H639 HydrophobicContact CZ-CB 3.56Å; F630-H639 AromaticContact CZ-CD2 3.31Å; F630-H639 WeakPolarHBondContact CZ-CD2 3.41Å; F630-H639 AromaticContact CZ-CG 3.34Å
631	R	66.2	Low	68.4	Low	98 Å²	98	74.4 Å²	74.4	37%	0.37	37%	0.369	S	S	.	.	S	Bend	trans	-75.8	-13.7	175	-68.4	-173.9	171.1	115.7	-11.8	113.8	L613 V614 K619	L613-R631 WeakPolarHBondContact O-CD 3.21Å; L613-R631 PolarHBondContact O-NE 3.26Å; V614-R631 PolarHBondContact O-NH2 3.13Å; V614-R631 VanDerWaalsContact O-NH2 3.08Å; K619-R631 HydrophobicContact CG-CG 4.1Å
632	Q	69.6	Low	68.1	Low	74 Å²	74	75.4 Å²	75.4	35%	0.346	38%	0.38	S	S	.	.	S	Bend	trans	-145	141.8	-174.8	-54.1	-175	16.9	0	0	111.6	R610 Y621 F630 N634 Q635 L636	R610-Q632 HydrophobicContact CG-CG 4.25Å; Y621-Q632 VanDerWaalsContact CD2-C 3.41Å; F630-Q632 VanDerWaalsContact C-N 3.31Å; Q632-N634 VanDerWaalsContact C-N 3.33Å; Q632-N634 PolarHBondContact O-N 3.1Å; Q632-Q635 HydrophobicContact CB-CG 4.1Å; Q632-Q635 PolarHBondContact O-N 3.05Å; Q632-L636 PolarHBondContact O-N 3.42Å
633	S	65.7	Low	68	Low	49 Å²	49	74.2 Å²	74.2	34%	0.343	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-35.9	178.8	51.7	0	0	0	0	113.7	Q635 L636 K637	S633-Q635 VanDerWaalsContact C-N 3.34Å; S633-Q635 PolarHBondContact O-N 3.26Å; S633-L636 WeakPolarHBondContact O-CB 3.4Å; S633-L636 PolarHBondContact O-N 2.97Å; S633-K637 WeakPolarHBondContact O-CG 3.45Å; S633-K637 PolarHBondContact O-N 3.37Å
634	N	65	Low	67.4	Low	99 Å²	99	78.3 Å²	78.3	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-38	176.9	-70.5	5.4	0	0	0	112	Q632 L636 K637 S638	Q632-N634 VanDerWaalsContact C-N 3.33Å; Q632-N634 PolarHBondContact O-N 3.1Å; N634-L636 VanDerWaalsContact C-N 3.34Å; N634-K637 PolarHBondContact O-N 3.32Å; N634-S638 PolarHBondContact O-N 3.3Å; N634-S638 PolarHBondContact O-OG 3.47Å
635	Q	70	Confident	66.8	Low	74 Å²	74	75.6 Å²	75.6	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-69.2	-34.6	176.5	-56	-66.2	83.8	0	0	111.1	F630 Q632 S633 H639	F630-Q635 HydrophobicContact CB-CB 4.36Å; F630-Q635 HydrophobicContact CD1-CB 3.92Å; F630-Q635 HydrophobicContact CG-CB 4.44Å; Q632-Q635 HydrophobicContact CB-CG 4.1Å; Q632-Q635 PolarHBondContact O-N 3.05Å; S633-Q635 VanDerWaalsContact C-N 3.34Å; S633-Q635 PolarHBondContact O-N 3.26Å; Q635-H639 WeakPolarHBondContact O-CB 3.47Å; Q635-H639 PolarHBondContact O-N 3.06Å
636	L	68	Low	66.2	Low	30 Å²	30	75.5 Å²	75.5	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-44.5	169.5	175.8	62.3	0	0	0	111.3	C623 F630 Q632 S633 N634 H639 M640	C623-L636 HydrophobicContact CB-CD1 4.02Å; F630-L636 HydrophobicContact CB-CB 4.42Å; F630-L636 HydrophobicContact CD2-CB 4.13Å; F630-L636 HydrophobicContact CD2-CD1 3.88Å; F630-L636 HydrophobicContact CE2-CD1 4.1Å; F630-L636 HydrophobicContact CG-CB 4.39Å; Q632-L636 PolarHBondContact O-N 3.42Å; S633-L636 WeakPolarHBondContact O-CB 3.4Å; S633-L636 PolarHBondContact O-N 2.97Å; N634-L636 VanDerWaalsContact C-N 3.34Å; L636-H639 CarbonylContact O-C 3.4Å; L636-H639 WeakPolarHBondContact O-CA 3.41Å; L636-H639 WeakPolarHBondContact O-CB 3.45Å; L636-H639 PolarHBondContact O-N 3.34Å; L636-H639 VanDerWaalsContact O-N 3.14Å; L636-M640 HydrophobicContact CD1-CE 3.44Å; L636-M640 VanDerWaalsContact CD1-CE 3.44Å; L636-M640 HydrophobicContact CD1-CG 4.46Å; L636-M640 HydrophobicContact CD1-SD 4.13Å; L636-M640 HydrophobicContact CG-CE 4.43Å; L636-M640 WeakPolarHBondContact O-CG 3.39Å; L636-M640 PolarHBondContact O-N 2.97Å
637	K	65.1	Low	65.3	Low	142 Å²	142	79.2 Å²	79.2	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-58.9	-49.8	176.6	-74.8	-176.5	172.7	-168.6	0	112.4	S633 N634 H639 M640 Q641	S633-K637 WeakPolarHBondContact O-CG 3.45Å; S633-K637 PolarHBondContact O-N 3.37Å; N634-K637 PolarHBondContact O-N 3.32Å; K637-H639 PolarHBondContact O-N 3.14Å; K637-M640 WeakPolarHBondContact O-CB 3.3Å; K637-M640 PolarHBondContact O-N 3.09Å; K637-Q641 PolarHBondContact O-N 3.26Å
638	S	63.9	Low	64.6	Low	27 Å²	27	81.1 Å²	81.1	19%	0.189	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-29.5	175.8	-58.3	0	0	0	0	112.7	N634	N634-S638 PolarHBondContact O-N 3.3Å; N634-S638 PolarHBondContact O-OG 3.47Å
639	H	70.6	Confident	64	Low	15 Å²	15	77.7 Å²	77.7	7%	0.069	39%	0.385	C	S	.	.	H	α-helix	trans	-75.1	-32.6	171.7	177.4	53.9	0	0	0	113.5	C626 F630 Q635 L636 K637 Q641 I642 H643	C626-H639 PolarHBondContact SG-NE2 2.86Å; F630-H639 HydrophobicContact CE1-CB 4.05Å; F630-H639 HydrophobicContact CE2-CB 4.03Å; F630-H639 AromaticContact CE2-CD2 3.29Å; F630-H639 WeakPolarHBondContact CE2-CD2 3.5Å; F630-H639 AromaticContact CE2-CG 3.78Å; F630-H639 HydrophobicContact CZ-CB 3.56Å; F630-H639 AromaticContact CZ-CD2 3.31Å; F630-H639 WeakPolarHBondContact CZ-CD2 3.41Å; F630-H639 AromaticContact CZ-CG 3.34Å; Q635-H639 WeakPolarHBondContact O-CB 3.47Å; Q635-H639 PolarHBondContact O-N 3.06Å; L636-H639 CarbonylContact O-C 3.4Å; L636-H639 WeakPolarHBondContact O-CA 3.41Å; L636-H639 WeakPolarHBondContact O-CB 3.45Å; L636-H639 PolarHBondContact O-N 3.34Å; L636-H639 VanDerWaalsContact O-N 3.14Å; K637-H639 PolarHBondContact O-N 3.14Å; H639-Q641 PolarHBondContact O-N 2.78Å; H639-I642 WeakPolarHBondContact O-CB 3.34Å; H639-I642 PolarHBondContact O-N 2.86Å; H639-H643 AromaticContact CD2-NE2 3.95Å; H639-H643 AromaticContact CE1-CD2 3.95Å; H639-H643 AromaticContact CE1-NE2 3.23Å; H639-H643 PolarHBondContact CE1-NE2 3.09Å; H639-H643 AromaticContact NE2-CD2 3.88Å; H639-H643 AromaticContact NE2-NE2 3.11Å; H639-H643 PolarHBondContact NE2-NE2 2.83Å; H639-H643 VanDerWaalsContact NE2-NE2 3.11Å; H639-H643 PolarHBondContact O-CD2 3.46Å
640	M	58	Low	63	Low	47 Å²	47	73.8 Å²	73.8	23%	0.232	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-32.3	176.2	-66	-53.8	80.6	0	0	111.7	C623 L636 K637 I642 H643 T644	C623-M640 HydrophobicContact CB-CE 3.75Å; C623-M640 WeakPolarHBondContact SG-CE 3.4Å; L636-M640 HydrophobicContact CD1-CE 3.44Å; L636-M640 VanDerWaalsContact CD1-CE 3.44Å; L636-M640 HydrophobicContact CD1-CG 4.46Å; L636-M640 HydrophobicContact CD1-SD 4.13Å; L636-M640 HydrophobicContact CG-CE 4.43Å; L636-M640 WeakPolarHBondContact O-CG 3.39Å; L636-M640 PolarHBondContact O-N 2.97Å; K637-M640 WeakPolarHBondContact O-CB 3.3Å; K637-M640 PolarHBondContact O-N 3.09Å; M640-I642 PolarHBondContact O-N 3.49Å; M640-I642 VanDerWaalsContact O-N 3.17Å; M640-H643 PolarHBondContact O-N 2.73Å; M640-T644 PolarHBondContact O-N 3.11Å; M640-T644 PolarHBondContact O-OG1 2.84Å
641	Q	67.8	Low	62.8	Low	28 Å²	28	72.5 Å²	72.5	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-64.3	-16	175.2	-64.2	174.4	-98.3	0	0	113.8	K637 H639 G645 I646 S659	K637-Q641 PolarHBondContact O-N 3.26Å; H639-Q641 PolarHBondContact O-N 2.78Å; Q641-G645 WeakPolarHBondContact O-CA 3.48Å; Q641-G645 PolarHBondContact O-N 2.92Å; Q641-G645 VanDerWaalsContact O-N 3.13Å; Q641-I646 PolarHBondContact NE2-O 3.37Å; Q641-I646 VanDerWaalsContact NE2-O 3.15Å; Q641-S659 PolarHBondContact NE2-O 3.2Å; Q641-S659 PolarHBondContact OE1-O 2.61Å
642	I	64.2	Low	62.6	Low	116 Å²	116	74.1 Å²	74.1	60%	0.595	39%	0.392	S	S	*	.	H	α-helix	trans	-75.9	-35	171.5	-52.9	-178	0	0	0	110.4	H639 M640	H639-I642 WeakPolarHBondContact O-CB 3.34Å; H639-I642 PolarHBondContact O-N 2.86Å; M640-I642 PolarHBondContact O-N 3.49Å; M640-I642 VanDerWaalsContact O-N 3.17Å
643	H	64.4	Low	62.2	Low	71 Å²	71	79 Å²	79	33%	0.329	41%	0.407	S	S	.	.	H	α-helix	trans	-82.1	-29.6	178.7	-62.4	-80.4	0	0	0	113.1	V625 C626 H639 M640	V625-H643 HydrophobicContact CG1-CB 4.49Å; V625-H643 WeakPolarHBondContact CG1-ND1 3.2Å; V625-H643 HydrophobicContact CG2-CB 4.38Å; C626-H643 PolarHBondContact SG-CE1 3.22Å; C626-H643 PolarHBondContact SG-NE2 3.38Å; C626-H643 VanDerWaalsContact SG-NE2 3.4Å; H639-H643 AromaticContact CD2-NE2 3.95Å; H639-H643 AromaticContact CE1-CD2 3.95Å; H639-H643 AromaticContact CE1-NE2 3.23Å; H639-H643 PolarHBondContact CE1-NE2 3.09Å; H639-H643 AromaticContact NE2-CD2 3.88Å; H639-H643 AromaticContact NE2-NE2 3.11Å; H639-H643 PolarHBondContact NE2-NE2 2.83Å; H639-H643 VanDerWaalsContact NE2-NE2 3.11Å; H639-H643 PolarHBondContact O-CD2 3.46Å; M640-H643 PolarHBondContact O-N 2.73Å
644	T	59.2	Low	62.5	Low	86 Å²	86	78.7 Å²	78.7	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-92	-9.5	176.6	64.8	0	0	0	0	113.7	M640 I646	M640-T644 PolarHBondContact O-N 3.11Å; M640-T644 PolarHBondContact O-OG1 2.84Å; T644-I646 WeakPolarHBondContact O-CG1 3.13Å; T644-I646 PolarHBondContact O-N 3.48Å; T644-I646 VanDerWaalsContact O-N 3.08Å
645	G	56.6	Low	62.4	Low	54 Å²	54	81 Å²	81	56%	0.557	41%	0.412	S	S	*	.			trans	68.4	-3.5	-175.1	0	0	0	0	0	115.5	Q641 K647	Q641-G645 WeakPolarHBondContact O-CA 3.48Å; Q641-G645 PolarHBondContact O-N 2.92Å; Q641-G645 VanDerWaalsContact O-N 3.13Å; G645-K647 PolarHBondContact O-N 2.85Å
646	I	56.7	Low	62.1	Low	95 Å²	95	81.9 Å²	81.9	49%	0.487	42%	0.418	S	S	.	.			trans	-75.2	98.1	-169.4	-50.4	178.7	0	0	0	111.5	Q641 T644 L648	Q641-I646 PolarHBondContact NE2-O 3.37Å; Q641-I646 VanDerWaalsContact NE2-O 3.15Å; T644-I646 WeakPolarHBondContact O-CG1 3.13Å; T644-I646 PolarHBondContact O-N 3.48Å; T644-I646 VanDerWaalsContact O-N 3.08Å; I646-L648 HydrophobicContact CG2-CD2 3.59Å; I646-L648 HydrophobicContact CG2-CG 3.95Å; I646-L648 PolarHBondContact O-N 3.08Å; I646-L648 VanDerWaalsContact O-N 3.14Å
647	K	57.3	Low	61.4	Low	134 Å²	134	81.2 Å²	81.2	58%	0.583	42%	0.419	S	S	*	.			trans	-75.4	86.5	170.3	-70.4	165.6	164.2	-135	0	110.5	G645 Y649 G657 F658	G645-K647 PolarHBondContact O-N 2.85Å; K647-Y649 PolarHBondContact O-N 2.81Å; K647-G657 WeakPolarHBondContact CD-O 3.5Å; K647-G657 WeakPolarHBondContact CE-O 3.34Å; K647-G657 WeakPolarHBondContact CG-O 3.35Å; K647-G657 PolarHBondContact NZ-O 3.28Å; K647-F658 CarbonylContact C-O 3.58Å; K647-F658 VanDerWaalsContact CA-O 3.3Å; K647-F658 WeakPolarHBondContact CA-O 3.37Å
648	L	55.5	Low	61.1	Low	112 Å²	112	76.3 Å²	76.3	59%	0.586	40%	0.397	S	S	*	.			trans	-71.7	-4.7	-176.8	-70.8	177.9	0	0	0	115.2	I646 F658	I646-L648 HydrophobicContact CG2-CD2 3.59Å; I646-L648 HydrophobicContact CG2-CG 3.95Å; I646-L648 PolarHBondContact O-N 3.08Å; I646-L648 VanDerWaalsContact O-N 3.14Å; L648-F658 PolarHBondContact N-O 2.86Å
649	Y	56	Low	60.5	Low	97 Å²	97	76.2 Å²	76.2	38%	0.38	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	97.2	-173.4	-60.4	-72.4	0	0	0	110.9	K647 F658 S659 S661	K647-Y649 PolarHBondContact O-N 2.81Å; Y649-F658 PolarHBondContact N-O 3.41Å; Y649-F658 WeakPolarHBondContact O-CD2 3.48Å; Y649-F658 PolarHBondContact O-N 3.2Å; Y649-S659 WeakPolarHBondContact CD2-O 3.47Å; Y649-S661 VanDerWaalsContact CD2-N 3.32Å
650	S	52.9	Low	59.8	Low	57 Å²	57	76.8 Å²	76.8	40%	0.399	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	151.8	167.9	45.5	0	0	0	0	111.6	L664	S650-L664 VanDerWaalsContact O-CD2 3.25Å; S650-L664 WeakPolarHBondContact O-CD2 3.31Å
651	C	66.1	Low	59.7	Low	18 Å²	18	76.3 Å²	76.3	12%	0.122	40%	0.402	C	S	.	.			trans	-85.4	130	154.1	178.9	0	0	0	0	109.1	R653 C654 H655 L656 F658 L664	C651-R653 VanDerWaalsContact C-N 3.27Å; C651-R653 PolarHBondContact O-N 3.03Å; C651-C654 VanDerWaalsContact CB-SG 3.53Å; C651-C654 VanDerWaalsContact SG-SG 3.7Å; C651-H655 WeakPolarHBondContact O-CA 3.42Å; C651-H655 PolarHBondContact O-N 3.46Å; C651-L656 PolarHBondContact N-O 2.87Å; C651-F658 HydrophobicContact CB-CE2 4.25Å; C651-L664 HydrophobicContact CB-CD1 3.6Å
652	D	61.1	Low	59.3	Low	132 Å²	132	81.3 Å²	81.3	71%	0.706	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.8	-171.5	-49.2	-52	0	0	0	113.5	H655	D652-H655 PolarHBondContact O-CE1 3.06Å; D652-H655 VanDerWaalsContact O-CE1 3.29Å
653	R	61.8	Low	59.2	Low	175 Å²	175	80.2 Å²	80.2	66%	0.66	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-33.7	175.4	-77.3	-173.4	170.7	-165.8	-4.1	114.7	C651 D671	C651-R653 VanDerWaalsContact C-N 3.27Å; C651-R653 PolarHBondContact O-N 3.03Å; R653-D671 IonicContact CZ-OD1 3.78Å; R653-D671 IonicContact NH1-OD1 3.67Å; R653-D671 PolarHBondContact NH1-OD1 3.14Å; R653-D671 IonicContact NH1-OD2 2.68Å
654	C	73.1	Confident	59.2	Low	44 Å²	44	78.8 Å²	78.8	30%	0.297	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	1.1	-173.2	68.4	0	0	0	0	113.8	C651 L656 H667	C651-C654 VanDerWaalsContact CB-SG 3.53Å; C651-C654 VanDerWaalsContact SG-SG 3.7Å; C654-L656 PolarHBondContact O-N 3.44Å; C654-H667 PolarHBondContact SG-NE2 3.06Å
655	H	62.1	Low	59.3	Low	148 Å²	148	83 Å²	83	69%	0.685	42%	0.417	S	S	*	.			trans	53.4	10	-178.9	-53	-45	0	0	0	116.5	C651 D652 G657	C651-H655 WeakPolarHBondContact O-CA 3.42Å; C651-H655 PolarHBondContact O-N 3.46Å; D652-H655 PolarHBondContact O-CE1 3.06Å; D652-H655 VanDerWaalsContact O-CE1 3.29Å; H655-G657 PolarHBondContact O-N 2.77Å
656	L	62.9	Low	59.7	Low	91 Å²	91	88.3 Å²	88.3	48%	0.476	43%	0.425	S	S	.	.			trans	-59.8	112.4	171.5	-73.1	173.5	0	0	0	110.1	C651 C654 F658	C651-L656 PolarHBondContact N-O 2.87Å; C654-L656 PolarHBondContact O-N 3.44Å; L656-F658 HydrophobicContact CB-CE2 3.99Å; L656-F658 HydrophobicContact CB-CZ 4.02Å; L656-F658 WeakPolarHBondContact O-CD2 3.42Å; L656-F658 WeakPolarHBondContact O-CE2 3.34Å
657	G	53.2	Low	60.3	Low	16 Å²	16	86.5 Å²	86.5	17%	0.165	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.1	175.5	0	0	0	0	0	112.6	K647 H655	K647-G657 WeakPolarHBondContact CD-O 3.5Å; K647-G657 WeakPolarHBondContact CE-O 3.34Å; K647-G657 WeakPolarHBondContact CG-O 3.35Å; K647-G657 PolarHBondContact NZ-O 3.28Å; H655-G657 PolarHBondContact O-N 2.77Å
658	F	59.1	Low	60.6	Low	39 Å²	39	88 Å²	88	17%	0.171	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.8	176.2	-57.5	-85.1	0	0	0	111	K647 L648 Y649 C651 L656 Q663 L664 H667	K647-F658 CarbonylContact C-O 3.58Å; K647-F658 VanDerWaalsContact CA-O 3.3Å; K647-F658 WeakPolarHBondContact CA-O 3.37Å; L648-F658 PolarHBondContact N-O 2.86Å; Y649-F658 PolarHBondContact N-O 3.41Å; Y649-F658 WeakPolarHBondContact O-CD2 3.48Å; Y649-F658 PolarHBondContact O-N 3.2Å; C651-F658 HydrophobicContact CB-CE2 4.25Å; L656-F658 HydrophobicContact CB-CE2 3.99Å; L656-F658 HydrophobicContact CB-CZ 4.02Å; L656-F658 WeakPolarHBondContact O-CD2 3.42Å; L656-F658 WeakPolarHBondContact O-CE2 3.34Å; F658-Q663 HydrophobicContact CB-CB 4.19Å; F658-Q663 HydrophobicContact CD1-CB 3.79Å; F658-Q663 HydrophobicContact CG-CB 4.24Å; F658-L664 HydrophobicContact CB-CB 4.45Å; F658-L664 HydrophobicContact CD2-CB 3.86Å; F658-L664 HydrophobicContact CD2-CD1 3.89Å; F658-L664 HydrophobicContact CD2-CG 4.45Å; F658-L664 HydrophobicContact CE2-CB 4.5Å; F658-L664 HydrophobicContact CE2-CD1 3.9Å; F658-L664 HydrophobicContact CG-CB 4.28Å; F658-H667 HydrophobicContact CE1-CB 4.15Å; F658-H667 HydrophobicContact CE2-CB 3.99Å; F658-H667 HydrophobicContact CZ-CB 3.49Å; F658-H667 VanDerWaalsContact CZ-CB 3.49Å; F658-H667 AromaticContact CZ-CG 3.5Å; F658-H667 AromaticContact CZ-ND1 3.94Å
659	S	52.1	Low	60.6	Low	26 Å²	26	84.8 Å²	84.8	18%	0.182	41%	0.41	C	S	.	.	S	Bend	trans	-83.5	-36.3	173.1	53.1	0	0	0	0	112.1	Q641 Y649 Q663	Q641-S659 PolarHBondContact NE2-O 3.2Å; Q641-S659 PolarHBondContact OE1-O 2.61Å; Y649-S659 WeakPolarHBondContact CD2-O 3.47Å; S659-Q663 PolarHBondContact OG-OE1 3.2Å
660	D	56.6	Low	60.2	Low	26 Å²	26	83.6 Å²	83.6	14%	0.139	43%	0.427	C	S	.	.	S	Bend	trans	-111.5	131.9	-179.1	-170.2	-20.2	0	0	0	111.9	R662 Q663 L664	D660-R662 PolarHBondContact O-N 3.21Å; D660-R662 VanDerWaalsContact O-N 3.09Å; D660-R662 WeakPolarHBondContact OD1-CB 3.36Å; D660-R662 WeakPolarHBondContact OD1-CG 3.34Å; D660-R662 PolarHBondContact OD1-N 3.39Å; D660-R662 IonicContact OD1-NE 3.85Å; D660-R662 PolarHBondContact OD1-NE 3.27Å; D660-R662 IonicContact OD2-CZ 3.95Å; D660-R662 IonicContact OD2-NE 2.74Å; D660-R662 PolarHBondContact OD2-NE 2.95Å; D660-R662 IonicContact OD2-NH2 2.64Å; D660-R662 PolarHBondContact OD2-NH2 2.98Å; D660-Q663 HydrophobicContact CB-CG 4.16Å; D660-Q663 WeakPolarHBondContact O-CA 3.46Å; D660-Q663 WeakPolarHBondContact O-CB 3.36Å; D660-Q663 PolarHBondContact O-N 2.93Å; D660-L664 PolarHBondContact O-N 2.85Å
661	S	54.2	Low	59.8	Low	38 Å²	38	87 Å²	87	27%	0.266	44%	0.441	S	S	.	.	H	α-helix	trans	-54.2	-27.2	171.6	-179.2	0	0	0	0	112.8	Y649 Q663 K665	Y649-S661 VanDerWaalsContact CD2-N 3.32Å; S661-Q663 VanDerWaalsContact C-N 3.32Å; S661-K665 WeakPolarHBondContact O-CB 3.3Å; S661-K665 WeakPolarHBondContact O-CG 3.31Å; S661-K665 PolarHBondContact O-N 2.77Å
662	R	60	Low	58.5	Low	132 Å²	132	95.2 Å²	95.2	50%	0.498	48%	0.477	S	S	.	.	H	α-helix	trans	-73.3	-18.3	173.9	-63	175.3	-67.5	-173.6	-2.3	114.2	D660 K666	D660-R662 PolarHBondContact O-N 3.21Å; D660-R662 VanDerWaalsContact O-N 3.09Å; D660-R662 WeakPolarHBondContact OD1-CB 3.36Å; D660-R662 WeakPolarHBondContact OD1-CG 3.34Å; D660-R662 PolarHBondContact OD1-N 3.39Å; D660-R662 IonicContact OD1-NE 3.85Å; D660-R662 PolarHBondContact OD1-NE 3.27Å; D660-R662 IonicContact OD2-CZ 3.95Å; D660-R662 IonicContact OD2-NE 2.74Å; D660-R662 PolarHBondContact OD2-NE 2.95Å; D660-R662 IonicContact OD2-NH2 2.64Å; D660-R662 PolarHBondContact OD2-NH2 2.98Å; R662-K666 WeakPolarHBondContact O-CG 3.36Å
663	Q	62.5	Low	57.1	Low	93 Å²	93	94.5 Å²	94.5	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-82.8	-45.9	170.4	-68.6	171.4	-28.5	0	0	109.9	F658 S659 D660 S661 K665 K666 H667	F658-Q663 HydrophobicContact CB-CB 4.19Å; F658-Q663 HydrophobicContact CD1-CB 3.79Å; F658-Q663 HydrophobicContact CG-CB 4.24Å; S659-Q663 PolarHBondContact OG-OE1 3.2Å; D660-Q663 HydrophobicContact CB-CG 4.16Å; D660-Q663 WeakPolarHBondContact O-CA 3.46Å; D660-Q663 WeakPolarHBondContact O-CB 3.36Å; D660-Q663 PolarHBondContact O-N 2.93Å; S661-Q663 VanDerWaalsContact C-N 3.32Å; Q663-K665 VanDerWaalsContact C-N 3.31Å; Q663-K665 PolarHBondContact O-N 3.39Å; Q663-K666 CarbonylContact O-C 3.58Å; Q663-K666 WeakPolarHBondContact O-CA 3.27Å; Q663-K666 PolarHBondContact O-N 2.79Å; Q663-H667 PolarHBondContact O-N 2.92Å
664	L	63.2	Low	55.7	Low	41 Å²	41	95.7 Å²	95.7	22%	0.215	50%	0.496	C	S	.	.	H	α-helix	trans	-54.8	-46.4	172	175	59.7	0	0	0	111.5	S650 C651 F658 D660 K666 H667	S650-L664 VanDerWaalsContact O-CD2 3.25Å; S650-L664 WeakPolarHBondContact O-CD2 3.31Å; C651-L664 HydrophobicContact CB-CD1 3.6Å; F658-L664 HydrophobicContact CB-CB 4.45Å; F658-L664 HydrophobicContact CD2-CB 3.86Å; F658-L664 HydrophobicContact CD2-CD1 3.89Å; F658-L664 HydrophobicContact CD2-CG 4.45Å; F658-L664 HydrophobicContact CE2-CB 4.5Å; F658-L664 HydrophobicContact CE2-CD1 3.9Å; F658-L664 HydrophobicContact CG-CB 4.28Å; D660-L664 PolarHBondContact O-N 2.85Å; L664-K666 PolarHBondContact O-N 3.48Å; L664-H667 PolarHBondContact O-N 3.4Å
665	K	61.7	Low	53.7	Low	174 Å²	174	102.8 Å²	102.8	76%	0.757	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	0.9	175.4	-71.7	-170.8	177.6	-157.6	0	115.7	S661 Q663	S661-K665 WeakPolarHBondContact O-CB 3.3Å; S661-K665 WeakPolarHBondContact O-CG 3.31Å; S661-K665 PolarHBondContact O-N 2.77Å; Q663-K665 VanDerWaalsContact C-N 3.31Å; Q663-K665 PolarHBondContact O-N 3.39Å
666	K	66	Low	52.2	Low	167 Å²	167	102 Å²	102	73%	0.726	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-16.1	169.8	-76.9	-172.5	169	-154	0	112.7	R662 Q663 L664 H668	R662-K666 WeakPolarHBondContact O-CG 3.36Å; Q663-K666 CarbonylContact O-C 3.58Å; Q663-K666 WeakPolarHBondContact O-CA 3.27Å; Q663-K666 PolarHBondContact O-N 2.79Å; L664-K666 PolarHBondContact O-N 3.48Å; K666-H668 PolarHBondContact O-N 3.48Å; K666-H668 PolarHBondContact O-ND1 3.02Å
667	H	68.8	Low	50.7	Low	56 Å²	56	105.2 Å²	105.2	26%	0.259	55%	0.547	S	S	.	.			trans	-73.1	110	174.2	176.1	66	0	0	0	109	C654 F658 Q663 L664	C654-H667 PolarHBondContact SG-NE2 3.06Å; F658-H667 HydrophobicContact CE1-CB 4.15Å; F658-H667 HydrophobicContact CE2-CB 3.99Å; F658-H667 HydrophobicContact CZ-CB 3.49Å; F658-H667 VanDerWaalsContact CZ-CB 3.49Å; F658-H667 AromaticContact CZ-CG 3.5Å; F658-H667 AromaticContact CZ-ND1 3.94Å; Q663-H667 PolarHBondContact O-N 2.92Å; L664-H667 PolarHBondContact O-N 3.4Å
668	H	62.7	Low	49.5	Very low	165 Å²	165	113 Å²	113	76%	0.764	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-94.1	118.7	166.9	-62.1	68.5	0	0	0	105.7	K666	K666-H668 PolarHBondContact O-N 3.48Å; K666-H668 PolarHBondContact O-ND1 3.02Å
669	C	56.9	Low	48.1	Very low	46 Å²	46	117.2 Å²	117.2	31%	0.311	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-76.3	127.4	167.7	-169.5	0	0	0	0	106.3	D671	C669-D671 PolarHBondContact O-N 2.55Å
670	G	46.8	Very low	46.9	Very low	72 Å²	72	119.4 Å²	119.4	74%	0.742	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-65.4	130.7	-178.2	0	0	0	0	0	111.1
671	D	44.6	Very low	45.6	Very low	127 Å²	127	123.7 Å²	123.7	68%	0.679	67%	0.672	S	S	*	*			trans	-93.6	110.4	164.1	-65.2	-57.7	0	0	0	107.3	R653 C669	R653-D671 IonicContact CZ-OD1 3.78Å; R653-D671 IonicContact NH1-OD1 3.67Å; R653-D671 PolarHBondContact NH1-OD1 3.14Å; R653-D671 IonicContact NH1-OD2 2.68Å; C669-D671 PolarHBondContact O-N 2.55Å
672	E	38.5	Very low	44.5	Very low	191 Å²	191	131.8 Å²	131.8	89%	0.893	70%	0.703	S	S	*	*			trans	-169.6	150.9	157.3	-118.6	168	-157.8	0	0	111.4
673	S	31.5	Very low	43.1	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	72%	0.717	S	S	*	*			trans	90.4	70.5	177.8	72.8	0	0	0	0	119.3
674	Q	33.5	Very low	41.5	Very low	200 Å²	200	136.9 Å²	136.9	94%	0.935	74%	0.742	S	S	*	*			trans	-144.2	54	137.2	-133.1	-172.7	6.8	0	0	113.4
675	E	31	Very low	39.9	Very low	192 Å²	192	145.2 Å²	145.2	90%	0.897	77%	0.771	S	S	*	*	S	Bend	trans	-119.8	162.1	154.9	-73.9	-161.1	141.8	0	0	110.1
676	T	30.9	Very low	38.3	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	78%	0.777	S	S	*	*			trans	-78.6	153.6	-154.8	45.7	0	0	0	0	115.7
677	L	31.6	Very low	36.6	Very low	159 Å²	159	147.2 Å²	147.2	83%	0.832	78%	0.777	S	S	*	*			trans	5.3	121.3	142.7	-62.9	159.6	0	0	0	116.9
678	E	27.6	Very low	34.6	Very low	181 Å²	181	150.2 Å²	150.2	85%	0.846	80%	0.795	S	S	*	*				177.4	138.4	107.9	-98.5	-173.7	175.8	0	0	115.3
679	S	28.8	Very low	33	Very low	127 Å²	127	147.2 Å²	147.2	89%	0.888	79%	0.788	S	S	*	*			trans	63.6	-178.8	156.8	84.7	0	0	0	0	118.9
680	G	27.2	Very low	31.5	Very low	71 Å²	71	154.5 Å²	154.5	73%	0.732	82%	0.815	S	S	*	*			trans	120	35.1	164.6	0	0	0	0	0	119.5	K682	G680-K682 PolarHBondContact O-N 3.37Å
681	S	29.4	Very low	30.6	Very low	117 Å²	117	154.1 Å²	154.1	82%	0.818	81%	0.811	S	S	*	*			trans	-56.4	120.6	178.8	-55.5	0	0	0	0	115.3
682	K	31.8	Very low	29.7	Very low	208 Å²	208	159.7 Å²	159.7	90%	0.904	82%	0.822	S	S	*	*			trans	172.8	130.1	131.4	-93.6	150.2	-170.1	170.9	0	112.3	G680	G680-K682 PolarHBondContact O-N 3.37Å
683	G	29.2	Very low	29.5	Very low	78 Å²	78	156.3 Å²	156.3	80%	0.804	82%	0.815	S	S	*	*			trans	-94.1	161.4	167.6	0	0	0	0	0	112.9
684	R	30.3	Very low	29.7	Very low	254 Å²	254	156.5 Å²	156.5	96%	0.958	81%	0.813	S	S	*	*			trans	-138.8	143	160.2	-135.1	178.9	-165.5	-154.5	2.9	110.8
685	R	28.3	Very low	29.5	Very low	215 Å²	215	153.8 Å²	153.8	81%	0.811	81%	0.805	S	S	*	*			trans	-92.8	144.6	-179.3	-60.9	172.4	174	175.6	-2.8	110.8
686	Q	29.4	Very low	29.6	Very low	188 Å²	188	153.3 Å²	153.3	88%	0.879	80%	0.8	S	S	*	*			trans	-175.2	131.4	138.3	-101.9	159.9	-18.9	0	0	107.3
687	R	29.9	Very low	29.6	Very low	196 Å²	196	153.8 Å²	153.8	74%	0.74	80%	0.798	S	S	*	*			cis	61.2	129.9	22.6	-71.2	-148.9	-158.5	178.4	1	113.4
688	D	27.2	Very low	29.9	Very low	118 Å²	118	155.1 Å²	155.1	63%	0.631	82%	0.82	S	S	*	*			cis	-150.1	141.6	6.8	-90.6	-31.9	0	0	0	109.3
689	V	27.9	Very low	30	Very low	102 Å²	102	153.8 Å²	153.8	62%	0.618	82%	0.819	S	S	*	*				82.9	151.1	94.2	-174	0	0	0	0	115.1
690	F	26.7	Very low	30.1	Very low	200 Å²	200	155.2 Å²	155.2	88%	0.877	82%	0.816	S	S	*	*			trans	71.1	138.5	-177	-49.8	-72.4	0	0	0	115.5
691	G	26.7	Very low	30.2	Very low	63 Å²	63	159.9 Å²	159.9	65%	0.649	82%	0.82	S	S	*	*			cis	132.1	150.2	-3.2	0	0	0	0	0	111.9
692	W	25.8	Very low	30.3	Very low	245 Å²	245	162.4 Å²	162.4	93%	0.928	82%	0.82	S	S	*	*			trans	156.4	129.7	149.8	-96.4	50.3	0	0	0	110.7
693	T	33.8	Very low	30.2	Very low	120 Å²	120	159.6 Å²	159.6	74%	0.736	82%	0.815	S	S	*	*			trans	-87.5	162.1	150.9	46.2	0	0	0	0	108.8
694	P	37.7	Very low	30.2	Very low	121 Å²	121	165 Å²	165	79%	0.786	82%	0.816	S	S	*	*				-113.5	162.4	128	-12.2	30.4	0	0	0	112.4
695	N	28.2	Very low	30.2	Very low	143 Å²	143	158.6 Å²	158.6	77%	0.765	81%	0.806	S	S	*	*			trans	-109	-175.1	-179.3	-148.5	7.9	0	0	0	111.1
696	F	33.5	Very low	30.4	Very low	182 Å²	182	154.3 Å²	154.3	80%	0.798	81%	0.805	S	S	*	*			trans	-37.4	156.5	165.3	-76.7	-115.3	0	0	0	113.4
697	N	30.3	Very low	30.5	Very low	142 Å²	142	151.5 Å²	151.5	76%	0.759	80%	0.799	S	S	*	*			cis	-171.5	141.8	45.4	-161.7	32	0	0	0	113.4
698	S	37.8	Very low	30.5	Very low	186 Å²	186	147.5 Å²	147.5	100%	1.301	80%	0.804	S	S	*	*			trans	167.9	0	145.9	63.8	0	0	0	0	110.6

Retrieved 698 of 698 residues in 593.2 ms (Link to these results)

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