A0A3Q0KU29_SCHMA Loading...

Putative major egg antigen

AlphaFold DB (A0A5K4F1S6), UniProt , Accession A0A3Q0KU29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 477 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	35.2	Very low	53.6	Low	251 Å²	251	121.7 Å²	121.7	100%	1.236	73%	0.728	S	S	*	*				0	109.9	0	-71	175.9	168.6	0	0	107.6
2	S	35	Very low	57	Low	124 Å²	124	112.5 Å²	112.5	87%	0.867	67%	0.672	S	S	*	*			trans	-113.7	115.4	169.2	-171.4	0	0	0	0	106.9	G4	S2-G4 PolarHBondContact O-N 2.92Å
3	G	30.8	Very low	59.9	Low	75 Å²	75	110.8 Å²	110.8	77%	0.773	67%	0.666	S	S	*	*			trans	-78.8	107.4	179.1	0	0	0	0	0	109.6	K5	G3-K5 PolarHBondContact O-N 3.05Å
4	G	32.8	Very low	62.5	Low	75 Å²	75	104.8 Å²	104.8	77%	0.773	63%	0.63	S	S	*	*			trans	-63.3	117	173.3	0	0	0	0	0	110.2	S2 Q6	S2-G4 PolarHBondContact O-N 2.92Å; G4-Q6 PolarHBondContact O-N 3.18Å
5	K	41.2	Very low	64.7	Low	173 Å²	173	103.7 Å²	103.7	75%	0.752	62%	0.619	S	S	*	*			trans	-65.9	121.9	163.2	-79.7	-178.7	173.5	-179.9	0	107.6	G3 H7	G3-K5 PolarHBondContact O-N 3.05Å; K5-H7 PolarHBondContact O-CD2 3.11Å; K5-H7 PolarHBondContact O-N 3.15Å; K5-H7 VanDerWaalsContact O-N 3.1Å
6	Q	37.4	Very low	66.6	Low	176 Å²	176	107.9 Å²	107.9	82%	0.822	62%	0.621	S	S	*	*			trans	-69	103.6	159.8	-79.2	179.6	-64	0	0	107.5	G4 N8	G4-Q6 PolarHBondContact O-N 3.18Å; Q6-N8 VanDerWaalsContact C-N 3.35Å; Q6-N8 PolarHBondContact O-N 2.87Å
7	H	53.6	Low	68.1	Low	106 Å²	106	103.5 Å²	103.5	49%	0.491	59%	0.593	S	S	.	*			trans	-75.6	91	170.9	-78.3	-101.8	0	0	0	108.6	K5 A9 E284	K5-H7 PolarHBondContact O-CD2 3.11Å; K5-H7 PolarHBondContact O-N 3.15Å; K5-H7 VanDerWaalsContact O-N 3.1Å; H7-A9 PolarHBondContact O-N 3.47Å; H7-E284 HydrophobicContact CB-CG 3.71Å; H7-E284 VanDerWaalsContact CB-OE1 3.32Å; H7-E284 WeakPolarHBondContact CB-OE1 3.42Å; H7-E284 IonicContact CD2-OE1 3.54Å; H7-E284 IonicContact CG-OE1 3.29Å; H7-E284 VanDerWaalsContact CG-OE1 3.29Å; H7-E284 WeakPolarHBondContact ND1-CG 3.15Å; H7-E284 IonicContact ND1-OE1 3.89Å
8	N	65.1	Low	69.6	Low	124 Å²	124	107.2 Å²	107.2	66%	0.663	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-65.8	129	178.1	-71.6	-15.9	0	0	0	110.4	Q6	Q6-N8 VanDerWaalsContact C-N 3.35Å; Q6-N8 PolarHBondContact O-N 2.87Å
9	A	77.4	Confident	70.9	Confident	63 Å²	63	104.2 Å²	104.2	52%	0.521	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-67.7	134.4	170.5	0	0	0	0	0	110.4	H7 S282	H7-A9 PolarHBondContact O-N 3.47Å; A9-S282 CarbonylContact C-O 3.6Å; A9-S282 VanDerWaalsContact CA-O 3.3Å; A9-S282 WeakPolarHBondContact CA-O 3.3Å
10	V	88.8	Confident	72.2	Confident	95 Å²	95	101.2 Å²	101.2	58%	0.576	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.4	125.1	179.3	-178.2	0	0	0	0	108.7	T281 S282	V10-T281 CarbonylContact O-C 3.59Å; V10-T281 VanDerWaalsContact O-CA 3.31Å; V10-T281 WeakPolarHBondContact O-CA 3.38Å; V10-S282 PolarHBondContact N-O 3.31Å; V10-S282 PolarHBondContact O-N 3.02Å
11	S	92.2	Very high	73.3	Confident	77 Å²	77	96.4 Å²	96.4	54%	0.538	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.4	173.7	-176	0	0	0	0	110.5	N279 V280	S11-N279 PolarHBondContact OG-OD1 2.8Å; S11-V280 CarbonylContact C-O 3.58Å; S11-V280 WeakPolarHBondContact CA-O 3.34Å
12	I	94.4	Very high	76.3	Confident	11 Å²	11	87.7 Å²	87.7	6%	0.056	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.2	178.8	-60.8	163.1	0	0	0	107.8	V280 L321 C323	I12-V280 HydrophobicContact CB-CB 4.22Å; I12-V280 HydrophobicContact CB-CG1 4Å; I12-V280 HydrophobicContact CD1-CG1 4.02Å; I12-V280 PolarHBondContact N-O 2.87Å; I12-L321 HydrophobicContact CD1-CB 3.72Å; I12-L321 HydrophobicContact CD1-CD1 4.11Å; I12-L321 HydrophobicContact CD1-CG 4.5Å; I12-C323 HydrophobicContact CG2-CB 3.7Å
13	P	95	Very high	79.2	Confident	90 Å²	90	88.4 Å²	88.4	58%	0.584	48%	0.482	S	S	*	.			trans	-68.9	135.1	-178.5	27.5	-34.1	0	0	0	111.8	N15	P13-N15 PolarHBondContact O-N 2.79Å; P13-N15 PolarHBondContact O-ND2 2.82Å; P13-N15 VanDerWaalsContact O-ND2 3.12Å
14	V	96.5	Very high	82.3	Confident	27 Å²	27	85.4 Å²	85.4	16%	0.164	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.9	176.4	-176.6	0	0	0	0	109.9	P275 I278 V280 M325 L331	V14-P275 HydrophobicContact CB-CB 4.48Å; V14-P275 HydrophobicContact CG1-CB 4.02Å; V14-I278 HydrophobicContact CG2-CB 4.37Å; V14-I278 HydrophobicContact CG2-CG2 4.2Å; V14-V280 HydrophobicContact CG2-CG2 3.83Å; V14-M325 HydrophobicContact CG1-CB 3.85Å; V14-L331 HydrophobicContact CG1-CD1 3.51Å; V14-L331 HydrophobicContact CG2-CD1 4.27Å
15	N	95.5	Very high	85.3	Confident	88 Å²	88	82.1 Å²	82.1	47%	0.471	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.9	-178.2	-58.7	-81.1	0	0	0	111.1	P13 C323 R324 M325	P13-N15 PolarHBondContact O-N 2.79Å; P13-N15 PolarHBondContact O-ND2 2.82Å; P13-N15 VanDerWaalsContact O-ND2 3.12Å; N15-C323 PolarHBondContact N-O 3.45Å; N15-C323 PolarHBondContact ND2-O 3.06Å; N15-R324 CarbonylContact O-C 3.58Å; N15-R324 WeakPolarHBondContact O-CA 3.47Å; N15-M325 PolarHBondContact O-N 3.4Å
16	R	94.4	Very high	88	Confident	172 Å²	172	79 Å²	79	65%	0.649	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	130.4	177.5	-173.6	176.3	177	169.1	0.1	111.8	P275 D327	R16-P275 HydrophobicContact CB-CG 4.21Å; R16-P275 HydrophobicContact CG-CG 4.5Å; R16-D327 IonicContact CZ-OD1 3.24Å; R16-D327 VanDerWaalsContact CZ-OD1 3.24Å; R16-D327 IonicContact NE-OD1 2.93Å; R16-D327 PolarHBondContact NE-OD1 2.88Å; R16-D327 IonicContact NH2-OD1 2.7Å; R16-D327 PolarHBondContact NH2-OD1 3.42Å
17	E	92.9	Very high	90.8	Very high	32 Å²	32	73.5 Å²	73.5	15%	0.15	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.3	167.8	-67.9	-162	158.4	0	0	111.3	R19 R324 M325 D327	E17-R19 HydrophobicContact CB-CG 4.1Å; E17-R19 VanDerWaalsContact CD-NH2 3.3Å; E17-R19 PolarHBondContact O-N 2.82Å; E17-R19 IonicContact OE1-CZ 3.12Å; E17-R19 IonicContact OE1-NE 3.56Å; E17-R19 IonicContact OE1-NH2 2.75Å; E17-R19 PolarHBondContact OE1-NH2 2.88Å; E17-R19 IonicContact OE2-CZ 2.72Å; E17-R19 IonicContact OE2-NE 3.76Å; E17-R19 PolarHBondContact OE2-NE 2.85Å; E17-R19 IonicContact OE2-NH2 2.69Å; E17-R19 PolarHBondContact OE2-NH2 2.67Å; E17-R19 VanDerWaalsContact OE2-NH2 3.08Å; E17-R324 HydrophobicContact CG-CB 4.17Å; E17-R324 WeakPolarHBondContact OE1-CD 3.05Å; E17-R324 IonicContact OE1-CZ 3.75Å; E17-R324 IonicContact OE1-NE 3.06Å; E17-R324 IonicContact OE1-NH1 2.95Å; E17-R324 PolarHBondContact OE1-NH1 2.77Å; E17-M325 PolarHBondContact N-O 3.36Å; E17-D327 PolarHBondContact O-N 3.09Å
18	Q	93.8	Very high	92.7	Very high	170 Å²	170	69 Å²	69	79%	0.794	35%	0.351	S	S	*	.	S	Bend	trans	-82.3	51.9	179	-64.7	-176.3	5.7	0	0	112.8	D327	Q18-D327 WeakPolarHBondContact CA-OD2 3.5Å
19	R	95.5	Very high	94.1	Very high	51 Å²	51	63.1 Å²	63.1	19%	0.192	32%	0.32	C	S	.	.	S	Bend	trans	-157.6	155.8	179.1	56.2	-177.1	177.3	-171.9	-5.7	110.5	E17 R23 Q24 D27 T326 D327	E17-R19 HydrophobicContact CB-CG 4.1Å; E17-R19 VanDerWaalsContact CD-NH2 3.3Å; E17-R19 PolarHBondContact O-N 2.82Å; E17-R19 IonicContact OE1-CZ 3.12Å; E17-R19 IonicContact OE1-NE 3.56Å; E17-R19 IonicContact OE1-NH2 2.75Å; E17-R19 PolarHBondContact OE1-NH2 2.88Å; E17-R19 IonicContact OE2-CZ 2.72Å; E17-R19 IonicContact OE2-NE 3.76Å; E17-R19 PolarHBondContact OE2-NE 2.85Å; E17-R19 IonicContact OE2-NH2 2.69Å; E17-R19 PolarHBondContact OE2-NH2 2.67Å; E17-R19 VanDerWaalsContact OE2-NH2 3.08Å; R19-R23 HydrophobicContact CB-CB 4.14Å; R19-R23 HydrophobicContact CB-CG 4.06Å; R19-Q24 HydrophobicContact CG-CB 4.32Å; R19-D27 VanDerWaalsContact CD-OD2 3.23Å; R19-D27 WeakPolarHBondContact CD-OD2 3.47Å; R19-D27 IonicContact CZ-OD2 3.52Å; R19-D27 IonicContact NE-OD2 3.15Å; R19-D27 IonicContact NH1-OD2 3.57Å; R19-D27 PolarHBondContact NH1-OD2 2.86Å; R19-T326 WeakPolarHBondContact O-CA 3.18Å; R19-T326 VanDerWaalsContact O-CB 3.24Å; R19-T326 WeakPolarHBondContact O-CB 3.38Å; R19-D327 PolarHBondContact N-OD2 2.82Å; R19-D327 PolarHBondContact O-N 3.41Å
20	S	96.7	Very high	95	Very high	43 Å²	43	62.6 Å²	62.6	30%	0.301	31%	0.31	S	S	.	.			trans	-74.2	161.1	168.7	62.1	0	0	0	0	111.4	E22 R23 Q24 D328	S20-E22 VanDerWaalsContact C-N 3.26Å; S20-E22 PolarHBondContact O-N 3.15Å; S20-R23 PolarHBondContact O-N 2.77Å; S20-R23 VanDerWaalsContact O-N 3.09Å; S20-R23 PolarHBondContact OG-N 3.05Å; S20-Q24 PolarHBondContact O-N 3.34Å; S20-D328 VanDerWaalsContact CA-OD1 3.28Å; S20-D328 WeakPolarHBondContact CA-OD1 3.29Å
21	F	95.9	Very high	95.2	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-38.8	174.3	175.2	-119.2	0	0	0	112.7	Q24 R25 M70 L73 R74 M77 R267 T326 D328 V330 M332	F21-Q24 PolarHBondContact O-N 3.11Å; F21-R25 PolarHBondContact O-N 2.9Å; F21-M70 HydrophobicContact CD1-CE 3.6Å; F21-M70 HydrophobicContact CE1-CE 3.55Å; F21-M70 HydrophobicContact CE1-SD 4.39Å; F21-M70 HydrophobicContact CZ-CE 4.46Å; F21-L73 HydrophobicContact CE1-CB 4.03Å; F21-L73 HydrophobicContact CZ-CB 3.91Å; F21-L73 HydrophobicContact CZ-CD1 4.08Å; F21-R74 HydrophobicContact CD1-CG 4.4Å; F21-R74 HydrophobicContact CE1-CG 4.34Å; F21-M77 HydrophobicContact CD1-CE 3.43Å; F21-M77 VanDerWaalsContact CD1-CE 3.43Å; F21-M77 HydrophobicContact CE1-CE 3.38Å; F21-M77 HydrophobicContact CG-CE 4.03Å; F21-M77 HydrophobicContact CZ-CE 3.98Å; F21-R267 VanDerWaalsContact CE2-NE 3.28Å; F21-T326 HydrophobicContact CB-CG2 4.29Å; F21-D328 PolarHBondContact N-OD1 2.65Å; F21-D328 PolarHBondContact N-OD2 3.41Å; F21-V330 HydrophobicContact CB-CB 4.04Å; F21-V330 HydrophobicContact CB-CG2 3.64Å; F21-V330 HydrophobicContact CD1-CG2 4.41Å; F21-V330 HydrophobicContact CD2-CG1 4.21Å; F21-V330 HydrophobicContact CG-CB 4.33Å; F21-V330 HydrophobicContact CG-CG1 4.29Å; F21-V330 HydrophobicContact CG-CG2 4.01Å; F21-M332 HydrophobicContact CD2-CE 4.04Å; F21-M332 HydrophobicContact CE2-CE 3.77Å
22	E	96.8	Very high	95.1	Very high	68 Å²	68	57.2 Å²	57.2	32%	0.318	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-46.8	174.3	-170.6	-173.4	155.3	0	0	111.5	S20 R25 R26 W66 M70	S20-E22 VanDerWaalsContact C-N 3.26Å; S20-E22 PolarHBondContact O-N 3.15Å; E22-R25 PolarHBondContact O-N 2.8Å; E22-R26 WeakPolarHBondContact O-CG 3.5Å; E22-R26 PolarHBondContact O-N 3.33Å; E22-R26 IonicContact OE1-CZ 2.74Å; E22-R26 VanDerWaalsContact OE1-CZ 3.3Å; E22-R26 IonicContact OE1-NE 2.73Å; E22-R26 PolarHBondContact OE1-NE 2.78Å; E22-R26 IonicContact OE1-NH2 3.54Å; E22-R26 PolarHBondContact OE1-NH2 2.75Å; E22-W66 HydrophobicContact CG-CZ2 3.54Å; E22-W66 PolarHBondContact OE1-NE1 3.27Å; E22-M70 HydrophobicContact CB-CE 3.93Å; E22-M70 HydrophobicContact CG-CE 4.1Å
23	R	97.1	Very high	94.9	Very high	140 Å²	140	60.2 Å²	60.2	53%	0.528	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-41.2	178.7	-178.6	174.9	179.7	-162.4	3.9	111.5	R19 S20 R25 R26 D27	R19-R23 HydrophobicContact CB-CB 4.14Å; R19-R23 HydrophobicContact CB-CG 4.06Å; S20-R23 PolarHBondContact O-N 2.77Å; S20-R23 VanDerWaalsContact O-N 3.09Å; S20-R23 PolarHBondContact OG-N 3.05Å; R23-R25 VanDerWaalsContact C-N 3.27Å; R23-R25 PolarHBondContact O-N 3.09Å; R23-R26 PolarHBondContact O-N 2.73Å; R23-R26 VanDerWaalsContact O-N 3.16Å; R23-D27 WeakPolarHBondContact O-CB 3.48Å; R23-D27 PolarHBondContact O-N 3.44Å
24	Q	96	Very high	94.5	Very high	12 Å²	12	63 Å²	63	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-54.3	-43.2	172.2	-173	-159.8	20.8	0	0	111.6	R19 S20 F21 D27 L28 R324	R19-Q24 HydrophobicContact CG-CB 4.32Å; S20-Q24 PolarHBondContact O-N 3.34Å; F21-Q24 PolarHBondContact O-N 3.11Å; Q24-D27 PolarHBondContact O-N 3.24Å; Q24-L28 PolarHBondContact O-N 2.59Å; Q24-L28 VanDerWaalsContact O-N 3.1Å; Q24-R324 VanDerWaalsContact NE2-NH1 3.19Å
25	R	96	Very high	93.3	Very high	6 Å²	6	64 Å²	64	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-39.8	177.3	-172.3	49.7	159.4	-141.9	-9.6	112.6	F21 E22 R23 L28 L29 W66 E69 M70 E255	F21-R25 PolarHBondContact O-N 2.9Å; E22-R25 PolarHBondContact O-N 2.8Å; R23-R25 VanDerWaalsContact C-N 3.27Å; R23-R25 PolarHBondContact O-N 3.09Å; R25-L28 PolarHBondContact O-N 2.89Å; R25-L29 PolarHBondContact O-N 2.9Å; R25-W66 HydrophobicContact CB-CH2 3.95Å; R25-W66 HydrophobicContact CG-CH2 3.82Å; R25-W66 HydrophobicContact CG-CZ3 3.91Å; R25-E69 IonicContact CZ-OE1 2.72Å; R25-E69 IonicContact NE-OE1 3.83Å; R25-E69 PolarHBondContact NE-OE1 3.14Å; R25-E69 IonicContact NH2-OE1 3.33Å; R25-E69 PolarHBondContact NH2-OE1 2.94Å; R25-M70 HydrophobicContact CB-SD 4.04Å; R25-M70 HydrophobicContact CG-SD 3.98Å; R25-E255 IonicContact CZ-OE2 3.65Å; R25-E255 IonicContact NH1-OE2 3.69Å; R25-E255 PolarHBondContact NH1-OE2 3.03Å; R25-E255 IonicContact NH2-OE2 2.74Å; R25-E255 PolarHBondContact NH2-OE2 3.1Å
26	R	97	Very high	91.4	Very high	107 Å²	107	61.6 Å²	61.6	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173.9	-67.8	-179.8	-178.7	-104.6	2.8	112	E22 R23 L28 L29 T30 W63 W66	E22-R26 WeakPolarHBondContact O-CG 3.5Å; E22-R26 PolarHBondContact O-N 3.33Å; E22-R26 IonicContact OE1-CZ 2.74Å; E22-R26 VanDerWaalsContact OE1-CZ 3.3Å; E22-R26 IonicContact OE1-NE 2.73Å; E22-R26 PolarHBondContact OE1-NE 2.78Å; E22-R26 IonicContact OE1-NH2 3.54Å; E22-R26 PolarHBondContact OE1-NH2 2.75Å; R23-R26 PolarHBondContact O-N 2.73Å; R23-R26 VanDerWaalsContact O-N 3.16Å; R26-L28 VanDerWaalsContact C-N 3.33Å; R26-L28 PolarHBondContact O-N 3.36Å; R26-L29 PolarHBondContact O-N 2.81Å; R26-T30 VanDerWaalsContact O-CB 3.31Å; R26-T30 WeakPolarHBondContact O-CB 3.14Å; R26-T30 PolarHBondContact O-N 3.16Å; R26-T30 PolarHBondContact O-OG1 3.14Å; R26-W63 HydrophobicContact CB-CH2 4.05Å; R26-W63 HydrophobicContact CG-CH2 4.02Å; R26-W63 HydrophobicContact CG-CZ3 4.11Å; R26-W66 HydrophobicContact CB-CH2 4.29Å; R26-W66 HydrophobicContact CG-CH2 3.34Å; R26-W66 HydrophobicContact CG-CZ2 3.44Å; R26-W66 VanDerWaalsContact CG-CZ2 3.44Å; R26-W66 HydrophobicContact CG-CZ3 4.29Å
27	D	95.5	Very high	89.5	Confident	60 Å²	60	56.6 Å²	56.6	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-40.2	179	-63.7	-19.8	0	0	0	111	R19 R23 Q24 G31	R19-D27 VanDerWaalsContact CD-OD2 3.23Å; R19-D27 WeakPolarHBondContact CD-OD2 3.47Å; R19-D27 IonicContact CZ-OD2 3.52Å; R19-D27 IonicContact NE-OD2 3.15Å; R19-D27 IonicContact NH1-OD2 3.57Å; R19-D27 PolarHBondContact NH1-OD2 2.86Å; R23-D27 WeakPolarHBondContact O-CB 3.48Å; R23-D27 PolarHBondContact O-N 3.44Å; Q24-D27 PolarHBondContact O-N 3.24Å; D27-G31 PolarHBondContact O-N 3.35Å
28	L	94.5	Very high	87.4	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-52.9	175.7	171.8	66.1	0	0	0	112.2	Q24 R25 R26 G31 L32 E258	Q24-L28 PolarHBondContact O-N 2.59Å; Q24-L28 VanDerWaalsContact O-N 3.1Å; R25-L28 PolarHBondContact O-N 2.89Å; R26-L28 VanDerWaalsContact C-N 3.33Å; R26-L28 PolarHBondContact O-N 3.36Å; L28-G31 PolarHBondContact O-N 3.28Å; L28-L32 HydrophobicContact CD1-CD1 3.9Å; L28-L32 HydrophobicContact CD1-CG 4.38Å; L28-L32 HydrophobicContact CG-CD1 4.24Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.95Å; L28-L32 VanDerWaalsContact O-N 3.08Å; L28-E258 HydrophobicContact CD1-CB 4.31Å; L28-E258 HydrophobicContact CD1-CG 3.63Å
29	L	95.2	Very high	85.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-49.3	-179.7	-65.2	-178.4	0	0	0	110.7	R25 R26 G31 L32 E33 W58 I59 W63 W66	R25-L29 PolarHBondContact O-N 2.9Å; R26-L29 PolarHBondContact O-N 2.81Å; L29-G31 VanDerWaalsContact C-N 3.29Å; L29-G31 PolarHBondContact O-N 2.95Å; L29-L32 PolarHBondContact O-N 2.88Å; L29-L32 VanDerWaalsContact O-N 3.16Å; L29-E33 WeakPolarHBondContact O-CG 3.28Å; L29-E33 PolarHBondContact O-N 2.91Å; L29-W58 HydrophobicContact CD2-CH2 3.73Å; L29-W58 HydrophobicContact CD2-CZ2 4.4Å; L29-W58 HydrophobicContact CD2-CZ3 3.78Å; L29-I59 HydrophobicContact CD2-CG1 4.28Å; L29-W63 HydrophobicContact CB-CH2 4.3Å; L29-W63 HydrophobicContact CB-CZ2 3.6Å; L29-W63 HydrophobicContact CD1-CD2 3.88Å; L29-W63 HydrophobicContact CD1-CE3 4.12Å; L29-W63 HydrophobicContact CD1-CG 4.43Å; L29-W63 HydrophobicContact CD1-CH2 4.27Å; L29-W63 HydrophobicContact CD1-CZ2 4.05Å; L29-W63 HydrophobicContact CD1-CZ3 4.3Å; L29-W63 HydrophobicContact CG-CZ2 4.49Å; L29-W66 HydrophobicContact CD1-CE3 4.33Å; L29-W66 HydrophobicContact CD1-CZ3 3.76Å
30	T	94.8	Very high	83.4	Confident	52 Å²	52	59.4 Å²	59.4	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-43.5	176.7	-52	0	0	0	0	111.5	R26 L32 E33 H34	R26-T30 VanDerWaalsContact O-CB 3.31Å; R26-T30 WeakPolarHBondContact O-CB 3.14Å; R26-T30 PolarHBondContact O-N 3.16Å; R26-T30 PolarHBondContact O-OG1 3.14Å; T30-L32 PolarHBondContact O-N 3.42Å; T30-E33 PolarHBondContact O-N 3.17Å; T30-H34 PolarHBondContact O-N 2.76Å; T30-H34 VanDerWaalsContact O-N 3.09Å; T30-H34 PolarHBondContact O-ND1 3.02Å
31	G	92.8	Very high	81.2	Confident	44 Å²	44	60 Å²	60	45%	0.454	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-42	178.3	0	0	0	0	0	113	D27 L28 L29 H34 G35	D27-G31 PolarHBondContact O-N 3.35Å; L28-G31 PolarHBondContact O-N 3.28Å; L29-G31 VanDerWaalsContact C-N 3.29Å; L29-G31 PolarHBondContact O-N 2.95Å; G31-H34 PolarHBondContact O-N 3.13Å; G31-G35 PolarHBondContact O-N 3.25Å
32	L	91.3	Very high	79.2	Confident	15 Å²	15	67 Å²	67	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-70.5	-32.3	178.1	-70	170	0	0	0	113.2	L28 L29 T30 W58 I59 V256	L28-L32 HydrophobicContact CD1-CD1 3.9Å; L28-L32 HydrophobicContact CD1-CG 4.38Å; L28-L32 HydrophobicContact CG-CD1 4.24Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.95Å; L28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 2.88Å; L29-L32 VanDerWaalsContact O-N 3.16Å; T30-L32 PolarHBondContact O-N 3.42Å; L32-W58 HydrophobicContact CD1-CH2 4.47Å; L32-W58 HydrophobicContact CD1-CZ3 3.81Å; L32-I59 HydrophobicContact CB-CD1 3.66Å; L32-V256 HydrophobicContact CD1-CG1 3.98Å
33	E	90.5	Very high	77.3	Confident	73 Å²	73	65.2 Å²	65.2	34%	0.341	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-51	171.3	-70	173.9	149.6	0	0	111.4	L29 T30 G35 S36 I59 W63	L29-E33 WeakPolarHBondContact O-CG 3.28Å; L29-E33 PolarHBondContact O-N 2.91Å; T30-E33 PolarHBondContact O-N 3.17Å; E33-G35 VanDerWaalsContact C-N 3.35Å; E33-G35 PolarHBondContact O-N 3.24Å; E33-S36 WeakPolarHBondContact O-CB 3.29Å; E33-S36 PolarHBondContact O-N 3.3Å; E33-I59 HydrophobicContact CG-CD1 4.35Å; E33-I59 HydrophobicContact CG-CG2 3.58Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.43Å; E33-W63 VanDerWaalsContact OE1-CD1 3.23Å; E33-W63 PolarHBondContact OE1-NE1 3.13Å
34	H	85.5	Confident	75.3	Confident	150 Å²	150	63.7 Å²	63.7	69%	0.694	38%	0.375	S	S	*	.	H	α-helix	trans	-71.4	-30.4	-177.1	-68.9	78.2	0	0	0	112.3	T30 G31 S36	T30-H34 PolarHBondContact O-N 2.76Å; T30-H34 VanDerWaalsContact O-N 3.09Å; T30-H34 PolarHBondContact O-ND1 3.02Å; G31-H34 PolarHBondContact O-N 3.13Å; H34-S36 PolarHBondContact O-N 3.29Å
35	G	72	Confident	73.6	Confident	46 Å²	46	64.3 Å²	64.3	47%	0.474	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.9	172.6	0	0	0	0	0	114.9	G31 E33 G37	G31-G35 PolarHBondContact O-N 3.25Å; E33-G35 VanDerWaalsContact C-N 3.35Å; E33-G35 PolarHBondContact O-N 3.24Å; G35-G37 VanDerWaalsContact C-N 3.31Å; G35-G37 PolarHBondContact O-N 2.65Å
36	S	56.2	Low	71.9	Confident	38 Å²	38	66.1 Å²	66.1	27%	0.266	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.6	-171.7	-168.2	0	0	0	0	115.3	E33 H34 R40	E33-S36 WeakPolarHBondContact O-CB 3.29Å; E33-S36 PolarHBondContact O-N 3.3Å; H34-S36 PolarHBondContact O-N 3.29Å; S36-R40 WeakPolarHBondContact O-CD 3.46Å; S36-R40 WeakPolarHBondContact O-CG 3.22Å; S36-R40 PolarHBondContact OG-NE 2.9Å; S36-R40 PolarHBondContact OG-NH1 2.73Å; S36-R40 PolarHBondContact OG-NH2 3.06Å
37	G	53	Low	71.2	Confident	68 Å²	68	62 Å²	62	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-40.4	-165.1	0	0	0	0	0	117.8	G35	G35-G37 VanDerWaalsContact C-N 3.31Å; G35-G37 PolarHBondContact O-N 2.65Å
38	T	49.2	Very low	70.5	Confident	126 Å²	126	59.6 Å²	59.6	77%	0.773	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	-13.8	-163.5	44.4	0	0	0	0	116.8
39	H	51.6	Low	69.9	Low	152 Å²	152	67.5 Å²	67.5	70%	0.704	41%	0.406	S	S	*	.	S	Bend	trans	-107.4	2.3	-179	-73	-65.2	0	0	0	114.7	G41 N42	H39-G41 VanDerWaalsContact C-N 3.25Å; H39-G41 PolarHBondContact O-N 2.88Å; H39-G41 VanDerWaalsContact O-N 3.15Å; H39-N42 PolarHBondContact O-N 2.96Å
40	R	53.8	Low	69.5	Low	34 Å²	34	70.1 Å²	70.1	13%	0.128	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-65.4	-17	-174	-70.8	-160.2	148.1	-178.8	7.5	116.2	S36 N42 L43 P52 D56	S36-R40 WeakPolarHBondContact O-CD 3.46Å; S36-R40 WeakPolarHBondContact O-CG 3.22Å; S36-R40 PolarHBondContact OG-NE 2.9Å; S36-R40 PolarHBondContact OG-NH1 2.73Å; S36-R40 PolarHBondContact OG-NH2 3.06Å; R40-N42 PolarHBondContact O-N 3.17Å; R40-N42 VanDerWaalsContact O-N 3.17Å; R40-L43 HydrophobicContact CB-CD1 4.17Å; R40-L43 HydrophobicContact CG-CD1 3.73Å; R40-L43 WeakPolarHBondContact O-CB 3.24Å; R40-L43 PolarHBondContact O-N 2.76Å; R40-P52 PolarHBondContact NH1-O 2.85Å; R40-P52 VanDerWaalsContact NH1-O 3.13Å; R40-D56 IonicContact CZ-OD1 3.31Å; R40-D56 IonicContact CZ-OD2 3.9Å; R40-D56 IonicContact NH1-OD1 3.41Å; R40-D56 PolarHBondContact NH1-OD1 3.14Å; R40-D56 IonicContact NH1-OD2 3.78Å; R40-D56 PolarHBondContact NH1-OD2 3.49Å; R40-D56 IonicContact NH2-OD1 3.29Å; R40-D56 PolarHBondContact NH2-OD1 3.3Å; R40-D56 IonicContact NH2-OD2 2.91Å
41	G	50.6	Low	69.3	Low	56 Å²	56	67.7 Å²	67.7	58%	0.577	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.7	174.1	0	0	0	0	0	113.6	H39	H39-G41 VanDerWaalsContact C-N 3.25Å; H39-G41 PolarHBondContact O-N 2.88Å; H39-G41 VanDerWaalsContact O-N 3.15Å
42	N	54.5	Low	69.1	Low	146 Å²	146	66.8 Å²	66.8	78%	0.781	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-88.9	2.2	176.4	-70.5	-4.1	0	0	0	113.8	H39 R40	H39-N42 PolarHBondContact O-N 2.96Å; R40-N42 PolarHBondContact O-N 3.17Å; R40-N42 VanDerWaalsContact O-N 3.17Å
43	L	56.4	Low	69	Low	32 Å²	32	69 Å²	69	17%	0.168	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-87	-6.6	172.9	-61.5	-177.5	0	0	0	113.1	R40 G45 D259	R40-L43 HydrophobicContact CB-CD1 4.17Å; R40-L43 HydrophobicContact CG-CD1 3.73Å; R40-L43 WeakPolarHBondContact O-CB 3.24Å; R40-L43 PolarHBondContact O-N 2.76Å; L43-G45 PolarHBondContact O-N 2.86Å; L43-D259 WeakPolarHBondContact CD2-O 3.05Å
44	I	55.4	Low	69	Low	107 Å²	107	66.2 Å²	66.2	55%	0.549	40%	0.396	S	S	.	.			trans	-75.2	65.8	170.5	-45.5	175.8	0	0	0	108.5
45	G	59.1	Low	69.3	Low	26 Å²	26	59.2 Å²	59.2	27%	0.268	36%	0.364	S	S	.	.	S	Bend	trans	-76.2	-153.1	171.5	0	0	0	0	0	111.5	L43 Y47	L43-G45 PolarHBondContact O-N 2.86Å; G45-Y47 PolarHBondContact O-N 2.87Å
46	P	61.2	Low	70.2	Confident	43 Å²	43	59.5 Å²	59.5	28%	0.279	35%	0.354	S	S	.	.	S	Bend	trans	-75	48.8	176	33.1	-35.3	0	0	0	112.2	V339	P46-V339 HydrophobicContact CB-CB 4.21Å; P46-V339 HydrophobicContact CB-CG1 3.84Å; P46-V339 HydrophobicContact CG-CB 3.54Å; P46-V339 HydrophobicContact CG-CG1 3.61Å; P46-V339 HydrophobicContact CG-CG2 4.12Å
47	Y	81.9	Confident	72	Confident	21 Å²	21	61.4 Å²	61.4	8%	0.082	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-126.5	177.4	-174.8	-53.9	-40.1	0	0	0	110.1	G45 W51 K261 V262 V339 L345	G45-Y47 PolarHBondContact O-N 2.87Å; Y47-W51 AromaticContact CD2-CD1 3.64Å; Y47-W51 AromaticContact CD2-CD2 3.93Å; Y47-W51 HydrophobicContact CD2-CD2 3.93Å; Y47-W51 AromaticContact CD2-CE2 3.81Å; Y47-W51 AromaticContact CD2-CG 3.86Å; Y47-W51 HydrophobicContact CD2-CG 3.86Å; Y47-W51 AromaticContact CD2-NE1 3.6Å; Y47-W51 AromaticContact CE2-NE1 3.95Å; Y47-W51 HydrophobicContact CG-CD2 4.05Å; Y47-W51 HydrophobicContact CG-CE3 4.43Å; Y47-W51 HydrophobicContact CG-CG 4.13Å; Y47-K261 HydrophobicContact CE2-CB 4.1Å; Y47-K261 HydrophobicContact CE2-CG 4.13Å; Y47-K261 WeakPolarHBondContact OH-CB 3.35Å; Y47-V262 HydrophobicContact CE1-CG2 4.33Å; Y47-V262 PolarHBondContact OH-N 3.41Å; Y47-V339 HydrophobicContact CE1-CG1 4.25Å; Y47-V339 HydrophobicContact CE1-CG2 3.97Å; Y47-L345 HydrophobicContact CD1-CB 3.82Å; Y47-L345 HydrophobicContact CD1-CD1 4.06Å; Y47-L345 HydrophobicContact CD1-CG 4.04Å; Y47-L345 HydrophobicContact CE1-CB 4.29Å; Y47-L345 HydrophobicContact CE1-CD1 3.7Å; Y47-L345 HydrophobicContact CE1-CG 4.19Å
48	T	80.7	Confident	73.9	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.055	34%	0.337	C	S	.	.			trans	-69	152.4	175.9	61.3	0	0	0	0	111.9	D50 W51 L345 R356	T48-D50 WeakPolarHBondContact CB-OD1 3.38Å; T48-D50 PolarHBondContact O-N 2.85Å; T48-D50 PolarHBondContact OG1-OD1 2.68Å; T48-W51 WeakPolarHBondContact O-CB 3.45Å; T48-W51 PolarHBondContact O-N 2.91Å; T48-L345 WeakPolarHBondContact CG2-O 3.47Å; T48-L345 PolarHBondContact OG1-O 3.12Å; T48-R356 VanDerWaalsContact CB-NH1 3.33Å; T48-R356 HydrophobicContact CG2-CB 4.08Å
49	E	82.4	Confident	76.1	Confident	180 Å²	180	52.7 Å²	52.7	84%	0.841	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.3	-177.5	-62.7	179.5	178.7	0	0	113	W51	E49-W51 VanDerWaalsContact C-N 3.35Å
50	D	87.5	Confident	78.1	Confident	55 Å²	55	49.3 Å²	49.3	29%	0.294	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.5	176.2	62	-34.4	0	0	0	114.1	T48 P52 S53 T54 R356	T48-D50 WeakPolarHBondContact CB-OD1 3.38Å; T48-D50 PolarHBondContact O-N 2.85Å; T48-D50 PolarHBondContact OG1-OD1 2.68Å; D50-P52 VanDerWaalsContact C-CD 3.42Å; D50-P52 VanDerWaalsContact C-N 3.32Å; D50-P52 VanDerWaalsContact O-N 3.14Å; D50-S53 WeakPolarHBondContact O-CA 3.28Å; D50-S53 PolarHBondContact O-N 3.43Å; D50-S53 PolarHBondContact O-OG 3.01Å; D50-T54 PolarHBondContact O-N 2.73Å; D50-T54 PolarHBondContact O-OG1 2.63Å; D50-R356 IonicContact OD1-CZ 2.81Å; D50-R356 IonicContact OD1-NH1 2.82Å; D50-R356 PolarHBondContact OD1-NH1 2.81Å; D50-R356 IonicContact OD1-NH2 3.64Å; D50-R356 IonicContact OD2-CZ 3.28Å; D50-R356 IonicContact OD2-NH1 3.15Å; D50-R356 PolarHBondContact OD2-NH1 2.84Å; D50-R356 IonicContact OD2-NH2 3.9Å; D50-R356 PolarHBondContact OD2-NH2 2.7Å
51	W	89.7	Confident	80	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-46.7	-42.5	-179.4	178.6	-102.7	0	0	0	114.5	Y47 T48 E49 S53 T54 V55 V256 G260 V262 L347	Y47-W51 AromaticContact CD2-CD1 3.64Å; Y47-W51 AromaticContact CD2-CD2 3.93Å; Y47-W51 HydrophobicContact CD2-CD2 3.93Å; Y47-W51 AromaticContact CD2-CE2 3.81Å; Y47-W51 AromaticContact CD2-CG 3.86Å; Y47-W51 HydrophobicContact CD2-CG 3.86Å; Y47-W51 AromaticContact CD2-NE1 3.6Å; Y47-W51 AromaticContact CE2-NE1 3.95Å; Y47-W51 HydrophobicContact CG-CD2 4.05Å; Y47-W51 HydrophobicContact CG-CE3 4.43Å; Y47-W51 HydrophobicContact CG-CG 4.13Å; T48-W51 WeakPolarHBondContact O-CB 3.45Å; T48-W51 PolarHBondContact O-N 2.91Å; E49-W51 VanDerWaalsContact C-N 3.35Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.78Å; W51-T54 HydrophobicContact CE3-CG2 4.34Å; W51-T54 HydrophobicContact CZ3-CG2 4.44Å; W51-T54 WeakPolarHBondContact O-CB 3.46Å; W51-T54 PolarHBondContact O-N 2.86Å; W51-T54 VanDerWaalsContact O-N 3.16Å; W51-V55 HydrophobicContact CD2-CG2 4.11Å; W51-V55 HydrophobicContact CG-CG2 4.44Å; W51-V55 HydrophobicContact CZ2-CG2 3.77Å; W51-V55 WeakPolarHBondContact O-CG2 3.47Å; W51-V55 PolarHBondContact O-N 2.94Å; W51-V256 HydrophobicContact CH2-CG2 4.3Å; W51-V256 HydrophobicContact CZ2-CG2 4.13Å; W51-G260 PolarHBondContact NE1-O 3.45Å; W51-V262 HydrophobicContact CH2-CG2 3.7Å; W51-V262 HydrophobicContact CZ2-CG2 4.04Å; W51-L347 HydrophobicContact CH2-CD1 4.25Å; W51-L347 HydrophobicContact CH2-CD2 4.06Å; W51-L347 HydrophobicContact CH2-CG 4.01Å; W51-L347 HydrophobicContact CZ3-CD1 4.48Å; W51-L347 HydrophobicContact CZ3-CD2 4.28Å; W51-L347 HydrophobicContact CZ3-CG 3.93Å
52	P	88.2	Confident	82.1	Confident	26 Å²	26	47 Å²	47	17%	0.169	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-42.1	173.7	-27.6	36.9	0	0	0	113.8	R40 D50 V55 D56	R40-P52 PolarHBondContact NH1-O 2.85Å; R40-P52 VanDerWaalsContact NH1-O 3.13Å; D50-P52 VanDerWaalsContact C-CD 3.42Å; D50-P52 VanDerWaalsContact C-N 3.32Å; D50-P52 VanDerWaalsContact O-N 3.14Å; P52-V55 PolarHBondContact O-N 3.4Å; P52-D56 PolarHBondContact O-N 3.31Å
53	S	89	Confident	84.1	Confident	60 Å²	60	43.8 Å²	43.8	42%	0.42	24%	0.244	S	C	.	.	H	α-helix	trans	-76.6	-28.5	178	72	0	0	0	0	113	D50 W51 D56 S57	D50-S53 WeakPolarHBondContact O-CA 3.28Å; D50-S53 PolarHBondContact O-N 3.43Å; D50-S53 PolarHBondContact O-OG 3.01Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.78Å; S53-D56 PolarHBondContact O-N 2.79Å; S53-S57 WeakPolarHBondContact O-CB 3.32Å; S53-S57 PolarHBondContact O-N 3.41Å; S53-S57 PolarHBondContact O-OG 3.28Å
54	T	91.5	Very high	85.9	Confident	16 Å²	16	52.1 Å²	52.1	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-44.5	168.6	-54.6	0	0	0	0	110.5	D50 W51 S57 W58 L347	D50-T54 PolarHBondContact O-N 2.73Å; D50-T54 PolarHBondContact O-OG1 2.63Å; W51-T54 HydrophobicContact CE3-CG2 4.34Å; W51-T54 HydrophobicContact CZ3-CG2 4.44Å; W51-T54 WeakPolarHBondContact O-CB 3.46Å; W51-T54 PolarHBondContact O-N 2.86Å; W51-T54 VanDerWaalsContact O-N 3.16Å; T54-S57 PolarHBondContact O-N 2.66Å; T54-W58 WeakPolarHBondContact O-CB 3.23Å; T54-W58 PolarHBondContact O-N 2.81Å; T54-L347 HydrophobicContact CG2-CB 3.77Å; T54-L347 HydrophobicContact CG2-CD1 4.14Å; T54-L347 HydrophobicContact CG2-CG 3.9Å
55	V	91.7	Very high	87.7	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-43	175.2	173.2	0	0	0	0	111.4	W51 P52 S57 W58 I59 V256	W51-V55 HydrophobicContact CD2-CG2 4.11Å; W51-V55 HydrophobicContact CG-CG2 4.44Å; W51-V55 HydrophobicContact CZ2-CG2 3.77Å; W51-V55 WeakPolarHBondContact O-CG2 3.47Å; W51-V55 PolarHBondContact O-N 2.94Å; P52-V55 PolarHBondContact O-N 3.4Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 PolarHBondContact O-N 3.49Å; V55-W58 HydrophobicContact CG1-CE3 4.47Å; V55-W58 WeakPolarHBondContact O-CB 3.41Å; V55-W58 PolarHBondContact O-N 3.19Å; V55-I59 HydrophobicContact CG1-CD1 3.95Å; V55-I59 HydrophobicContact CG1-CG1 4.42Å; V55-I59 VanDerWaalsContact O-CG1 3.29Å; V55-I59 WeakPolarHBondContact O-CG1 3.39Å; V55-I59 PolarHBondContact O-N 2.95Å; V55-V256 HydrophobicContact CG1-CG1 4.38Å; V55-V256 HydrophobicContact CG2-CG1 4.37Å; V55-V256 HydrophobicContact CG2-CG2 4.39Å
56	D	91.7	Very high	89.4	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-43.2	174.1	-68.1	-33.1	0	0	0	112.2	R40 P52 S53 W58 I59 N60	R40-D56 IonicContact CZ-OD1 3.31Å; R40-D56 IonicContact CZ-OD2 3.9Å; R40-D56 IonicContact NH1-OD1 3.41Å; R40-D56 PolarHBondContact NH1-OD1 3.14Å; R40-D56 IonicContact NH1-OD2 3.78Å; R40-D56 PolarHBondContact NH1-OD2 3.49Å; R40-D56 IonicContact NH2-OD1 3.29Å; R40-D56 PolarHBondContact NH2-OD1 3.3Å; R40-D56 IonicContact NH2-OD2 2.91Å; P52-D56 PolarHBondContact O-N 3.31Å; S53-D56 PolarHBondContact O-N 2.79Å; D56-W58 VanDerWaalsContact C-N 3.32Å; D56-W58 PolarHBondContact O-N 3.39Å; D56-I59 PolarHBondContact O-N 2.87Å; D56-N60 WeakPolarHBondContact O-CB 3.15Å; D56-N60 PolarHBondContact O-N 2.84Å; D56-N60 PolarHBondContact O-ND2 3.47Å
57	S	92.7	Very high	90.8	Very high	79 Å²	79	57.1 Å²	57.1	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-64.9	-39.1	178.7	-59.5	0	0	0	0	111.3	S53 T54 V55 S61	S53-S57 WeakPolarHBondContact O-CB 3.32Å; S53-S57 PolarHBondContact O-N 3.41Å; S53-S57 PolarHBondContact O-OG 3.28Å; T54-S57 PolarHBondContact O-N 2.66Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 PolarHBondContact O-N 3.49Å; S57-S61 WeakPolarHBondContact O-CB 3.11Å; S57-S61 PolarHBondContact O-N 2.78Å
58	W	94	Very high	91.1	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.038	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-51.8	173.6	171.5	75.1	0	0	0	112.2	L29 L32 T54 V55 D56 N60 S61 S62 V256 L347	L29-W58 HydrophobicContact CD2-CH2 3.73Å; L29-W58 HydrophobicContact CD2-CZ2 4.4Å; L29-W58 HydrophobicContact CD2-CZ3 3.78Å; L32-W58 HydrophobicContact CD1-CH2 4.47Å; L32-W58 HydrophobicContact CD1-CZ3 3.81Å; T54-W58 WeakPolarHBondContact O-CB 3.23Å; T54-W58 PolarHBondContact O-N 2.81Å; V55-W58 HydrophobicContact CG1-CE3 4.47Å; V55-W58 WeakPolarHBondContact O-CB 3.41Å; V55-W58 PolarHBondContact O-N 3.19Å; D56-W58 VanDerWaalsContact C-N 3.32Å; D56-W58 PolarHBondContact O-N 3.39Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 2.98Å; W58-S61 CarbonylContact O-C 3.23Å; W58-S61 WeakPolarHBondContact O-CA 3.28Å; W58-S61 WeakPolarHBondContact O-CB 3.37Å; W58-S61 PolarHBondContact O-N 2.98Å; W58-S62 PolarHBondContact O-N 3.29Å; W58-S62 PolarHBondContact O-OG 2.87Å; W58-V256 HydrophobicContact CD2-CG2 4.13Å; W58-V256 HydrophobicContact CE3-CB 4.1Å; W58-V256 HydrophobicContact CE3-CG2 3.9Å; W58-V256 HydrophobicContact CH2-CB 3.84Å; W58-V256 HydrophobicContact CH2-CG2 4.31Å; W58-V256 HydrophobicContact CZ2-CB 4.37Å; W58-V256 HydrophobicContact CZ2-CG2 4.47Å; W58-V256 HydrophobicContact CZ3-CB 3.69Å; W58-V256 HydrophobicContact CZ3-CG1 4.26Å; W58-V256 HydrophobicContact CZ3-CG2 4.02Å; W58-L347 HydrophobicContact CB-CD1 3.49Å; W58-L347 VanDerWaalsContact CB-CD1 3.49Å; W58-L347 HydrophobicContact CD2-CD1 4.23Å; W58-L347 HydrophobicContact CG-CD1 3.56Å
59	I	94.4	Very high	91.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-54.6	-47.5	176.4	-67.1	165.3	0	0	0	110.9	L29 L32 E33 V55 D56 S61 S62 W63	L29-I59 HydrophobicContact CD2-CG1 4.28Å; L32-I59 HydrophobicContact CB-CD1 3.66Å; E33-I59 HydrophobicContact CG-CD1 4.35Å; E33-I59 HydrophobicContact CG-CG2 3.58Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.43Å; V55-I59 HydrophobicContact CG1-CD1 3.95Å; V55-I59 HydrophobicContact CG1-CG1 4.42Å; V55-I59 VanDerWaalsContact O-CG1 3.29Å; V55-I59 WeakPolarHBondContact O-CG1 3.39Å; V55-I59 PolarHBondContact O-N 2.95Å; D56-I59 PolarHBondContact O-N 2.87Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 3.37Å; I59-S62 WeakPolarHBondContact O-CB 3.44Å; I59-S62 PolarHBondContact O-N 2.79Å; I59-W63 PolarHBondContact O-N 2.84Å
60	N	94.4	Very high	91.8	Very high	81 Å²	81	52.5 Å²	52.5	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-37.6	177.5	-83	-80.1	0	0	0	112.5	D56 W58 R64	D56-N60 WeakPolarHBondContact O-CB 3.15Å; D56-N60 PolarHBondContact O-N 2.84Å; D56-N60 PolarHBondContact O-ND2 3.47Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 2.98Å; N60-R64 WeakPolarHBondContact O-CB 3.28Å; N60-R64 WeakPolarHBondContact O-CD 3.41Å; N60-R64 WeakPolarHBondContact O-CG 3.47Å; N60-R64 PolarHBondContact O-N 3.08Å
61	S	94.2	Very high	91.7	Very high	38 Å²	38	56 Å²	56	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-44.3	174.7	-165	0	0	0	0	111.2	S57 W58 I59 W63 R64 R65	S57-S61 WeakPolarHBondContact O-CB 3.11Å; S57-S61 PolarHBondContact O-N 2.78Å; W58-S61 CarbonylContact O-C 3.23Å; W58-S61 WeakPolarHBondContact O-CA 3.28Å; W58-S61 WeakPolarHBondContact O-CB 3.37Å; W58-S61 PolarHBondContact O-N 2.98Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-S61 PolarHBondContact O-N 3.37Å; S61-W63 PolarHBondContact O-N 2.86Å; S61-R64 CarbonylContact O-C 3.59Å; S61-R64 PolarHBondContact O-N 2.8Å; S61-R64 VanDerWaalsContact O-N 3.17Å; S61-R65 WeakPolarHBondContact O-CB 3.44Å; S61-R65 WeakPolarHBondContact O-CG 3.5Å; S61-R65 PolarHBondContact O-N 2.84Å
62	S	94.1	Very high	91.4	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-47.5	177.1	-74.1	0	0	0	0	112.6	W58 I59 R65 W66 E69	W58-S62 PolarHBondContact O-N 3.29Å; W58-S62 PolarHBondContact O-OG 2.87Å; I59-S62 WeakPolarHBondContact O-CB 3.44Å; I59-S62 PolarHBondContact O-N 2.79Å; S62-R65 CarbonylContact O-C 3.54Å; S62-R65 PolarHBondContact O-N 2.82Å; S62-W66 VanDerWaalsContact O-CA 3.29Å; S62-W66 WeakPolarHBondContact O-CA 3.38Å; S62-W66 PolarHBondContact O-N 3.39Å; S62-E69 WeakPolarHBondContact CA-OE2 3.25Å; S62-E69 WeakPolarHBondContact CB-OE2 3.41Å; S62-E69 PolarHBondContact OG-OE2 2.87Å
63	W	95.7	Very high	91.3	Very high	78 Å²	78	57.3 Å²	57.3	30%	0.295	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-40.1	174.6	-72.9	131.4	0	0	0	113	R26 L29 E33 I59 S61 R65 W66	R26-W63 HydrophobicContact CB-CH2 4.05Å; R26-W63 HydrophobicContact CG-CH2 4.02Å; R26-W63 HydrophobicContact CG-CZ3 4.11Å; L29-W63 HydrophobicContact CB-CH2 4.3Å; L29-W63 HydrophobicContact CB-CZ2 3.6Å; L29-W63 HydrophobicContact CD1-CD2 3.88Å; L29-W63 HydrophobicContact CD1-CE3 4.12Å; L29-W63 HydrophobicContact CD1-CG 4.43Å; L29-W63 HydrophobicContact CD1-CH2 4.27Å; L29-W63 HydrophobicContact CD1-CZ2 4.05Å; L29-W63 HydrophobicContact CD1-CZ3 4.3Å; L29-W63 HydrophobicContact CG-CZ2 4.49Å; E33-W63 VanDerWaalsContact OE1-CD1 3.23Å; E33-W63 PolarHBondContact OE1-NE1 3.13Å; I59-W63 PolarHBondContact O-N 2.84Å; S61-W63 PolarHBondContact O-N 2.86Å; W63-R65 VanDerWaalsContact C-N 3.29Å; W63-R65 PolarHBondContact O-N 2.89Å; W63-W66 HydrophobicContact CE3-CD2 4.46Å; W63-W66 AromaticContact CE3-CE3 3.82Å; W63-W66 HydrophobicContact CE3-CE3 3.82Å; W63-W66 HydrophobicContact CE3-CZ3 4.1Å; W63-W66 HydrophobicContact CH2-CZ3 4.49Å; W63-W66 HydrophobicContact CZ3-CD2 4.41Å; W63-W66 AromaticContact CZ3-CE3 3.86Å; W63-W66 HydrophobicContact CZ3-CE3 3.86Å; W63-W66 HydrophobicContact CZ3-CH2 4.21Å; W63-W66 AromaticContact CZ3-CZ3 3.76Å; W63-W66 HydrophobicContact CZ3-CZ3 3.76Å
64	R	95.6	Very high	91	Very high	208 Å²	208	59 Å²	59	79%	0.785	27%	0.267	S	S	*	.	H	α-helix	trans	-69	-25.4	177.9	-72.5	171.8	-171.5	-172.3	5.3	113.6	N60 S61	N60-R64 WeakPolarHBondContact O-CB 3.28Å; N60-R64 WeakPolarHBondContact O-CD 3.41Å; N60-R64 WeakPolarHBondContact O-CG 3.47Å; N60-R64 PolarHBondContact O-N 3.08Å; S61-R64 CarbonylContact O-C 3.59Å; S61-R64 PolarHBondContact O-N 2.8Å; S61-R64 VanDerWaalsContact O-N 3.17Å
65	R	92.5	Very high	90.1	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	22.5	-175.7	-60.5	-177	63.9	89.4	2.4	112.6	S61 S62 W63 D67 E68 E69	S61-R65 WeakPolarHBondContact O-CB 3.44Å; S61-R65 WeakPolarHBondContact O-CG 3.5Å; S61-R65 PolarHBondContact O-N 2.84Å; S62-R65 CarbonylContact O-C 3.54Å; S62-R65 PolarHBondContact O-N 2.82Å; W63-R65 VanDerWaalsContact C-N 3.29Å; W63-R65 PolarHBondContact O-N 2.89Å; R65-D67 PolarHBondContact O-N 2.94Å; R65-D67 VanDerWaalsContact O-N 3.17Å; R65-E68 PolarHBondContact O-N 2.9Å; R65-E69 PolarHBondContact O-N 2.88Å
66	W	93.6	Very high	89.3	Confident	28 Å²	28	67 Å²	67	11%	0.106	31%	0.308	C	S	.	.	H	α-helix	trans	-44.1	-53.3	-169.9	-176.6	-105	0	0	0	114.4	E22 R25 R26 L29 S62 W63 E68 E69 M70	E22-W66 HydrophobicContact CG-CZ2 3.54Å; E22-W66 PolarHBondContact OE1-NE1 3.27Å; R25-W66 HydrophobicContact CB-CH2 3.95Å; R25-W66 HydrophobicContact CG-CH2 3.82Å; R25-W66 HydrophobicContact CG-CZ3 3.91Å; R26-W66 HydrophobicContact CB-CH2 4.29Å; R26-W66 HydrophobicContact CG-CH2 3.34Å; R26-W66 HydrophobicContact CG-CZ2 3.44Å; R26-W66 VanDerWaalsContact CG-CZ2 3.44Å; R26-W66 HydrophobicContact CG-CZ3 4.29Å; L29-W66 HydrophobicContact CD1-CE3 4.33Å; L29-W66 HydrophobicContact CD1-CZ3 3.76Å; S62-W66 VanDerWaalsContact O-CA 3.29Å; S62-W66 WeakPolarHBondContact O-CA 3.38Å; S62-W66 PolarHBondContact O-N 3.39Å; W63-W66 HydrophobicContact CE3-CD2 4.46Å; W63-W66 AromaticContact CE3-CE3 3.82Å; W63-W66 HydrophobicContact CE3-CE3 3.82Å; W63-W66 HydrophobicContact CE3-CZ3 4.1Å; W63-W66 HydrophobicContact CH2-CZ3 4.49Å; W63-W66 HydrophobicContact CZ3-CD2 4.41Å; W63-W66 AromaticContact CZ3-CE3 3.86Å; W63-W66 HydrophobicContact CZ3-CE3 3.86Å; W63-W66 HydrophobicContact CZ3-CH2 4.21Å; W63-W66 AromaticContact CZ3-CZ3 3.76Å; W63-W66 HydrophobicContact CZ3-CZ3 3.76Å; W66-E68 VanDerWaalsContact C-N 3.32Å; W66-E68 PolarHBondContact O-N 3.42Å; W66-E69 PolarHBondContact O-N 3.12Å; W66-M70 HydrophobicContact CD2-CG 4.14Å; W66-M70 HydrophobicContact CH2-CG 4.39Å; W66-M70 HydrophobicContact CH2-SD 4.14Å; W66-M70 HydrophobicContact CZ2-CG 3.94Å; W66-M70 HydrophobicContact CZ2-SD 4.08Å; W66-M70 WeakPolarHBondContact O-CB 3.24Å; W66-M70 WeakPolarHBondContact O-CG 3.17Å; W66-M70 PolarHBondContact O-N 2.82Å
67	D	91.3	Very high	88.8	Confident	113 Å²	113	65.2 Å²	65.2	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-35.2	-177	-62.6	-19.4	0	0	0	112.6	R65 R71	R65-D67 PolarHBondContact O-N 2.94Å; R65-D67 VanDerWaalsContact O-N 3.17Å; D67-R71 WeakPolarHBondContact O-CB 3.44Å; D67-R71 PolarHBondContact O-N 2.72Å; D67-R71 PolarHBondContact O-NH1 2.9Å
68	E	88.4	Confident	87.9	Confident	88 Å²	88	62 Å²	62	41%	0.411	27%	0.274	S	S	.	.	H	α-helix	trans	-75.3	-38.6	177.8	-177.5	56.6	-160.9	0	0	111.6	R65 W66 R71 R72	R65-E68 PolarHBondContact O-N 2.9Å; W66-E68 VanDerWaalsContact C-N 3.32Å; W66-E68 PolarHBondContact O-N 3.42Å; E68-R71 PolarHBondContact O-N 3.26Å; E68-R71 IonicContact OE2-CZ 3.39Å; E68-R71 IonicContact OE2-NH1 3.2Å; E68-R71 PolarHBondContact OE2-NH1 2.86Å; E68-R72 WeakPolarHBondContact O-CB 3.21Å; E68-R72 PolarHBondContact O-N 3.46Å
69	E	87	Confident	86.7	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-49.4	173.6	-178.3	174.8	145.4	0	0	111.7	R25 S62 R65 W66 R71 R72 L73	R25-E69 IonicContact CZ-OE1 2.72Å; R25-E69 IonicContact NE-OE1 3.83Å; R25-E69 PolarHBondContact NE-OE1 3.14Å; R25-E69 IonicContact NH2-OE1 3.33Å; R25-E69 PolarHBondContact NH2-OE1 2.94Å; S62-E69 WeakPolarHBondContact CA-OE2 3.25Å; S62-E69 WeakPolarHBondContact CB-OE2 3.41Å; S62-E69 PolarHBondContact OG-OE2 2.87Å; R65-E69 PolarHBondContact O-N 2.88Å; W66-E69 PolarHBondContact O-N 3.12Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.45Å; E69-R72 PolarHBondContact O-N 2.84Å; E69-L73 HydrophobicContact CG-CD1 3.88Å; E69-L73 HydrophobicContact CG-CG 4.33Å; E69-L73 WeakPolarHBondContact O-CB 3.49Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.13Å; E69-L73 PolarHBondContact O-N 2.85Å
70	M	90.3	Very high	85.4	Confident	14 Å²	14	62.9 Å²	62.9	7%	0.069	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-36.9	178.6	-72.1	-58.2	-57	0	0	111.6	F21 E22 R25 W66 R74	F21-M70 HydrophobicContact CD1-CE 3.6Å; F21-M70 HydrophobicContact CE1-CE 3.55Å; F21-M70 HydrophobicContact CE1-SD 4.39Å; F21-M70 HydrophobicContact CZ-CE 4.46Å; E22-M70 HydrophobicContact CB-CE 3.93Å; E22-M70 HydrophobicContact CG-CE 4.1Å; R25-M70 HydrophobicContact CB-SD 4.04Å; R25-M70 HydrophobicContact CG-SD 3.98Å; W66-M70 HydrophobicContact CD2-CG 4.14Å; W66-M70 HydrophobicContact CH2-CG 4.39Å; W66-M70 HydrophobicContact CH2-SD 4.14Å; W66-M70 HydrophobicContact CZ2-CG 3.94Å; W66-M70 HydrophobicContact CZ2-SD 4.08Å; W66-M70 WeakPolarHBondContact O-CB 3.24Å; W66-M70 WeakPolarHBondContact O-CG 3.17Å; W66-M70 PolarHBondContact O-N 2.82Å; M70-R74 WeakPolarHBondContact O-CB 3.37Å; M70-R74 WeakPolarHBondContact O-CG 3.37Å; M70-R74 PolarHBondContact O-N 2.83Å
71	R	85.8	Confident	83.9	Confident	127 Å²	127	60.8 Å²	60.8	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-46	172.4	-178.1	-176.3	-59.2	104.3	13.3	112.1	D67 E68 E69 R74 R75	D67-R71 WeakPolarHBondContact O-CB 3.44Å; D67-R71 PolarHBondContact O-N 2.72Å; D67-R71 PolarHBondContact O-NH1 2.9Å; E68-R71 PolarHBondContact O-N 3.26Å; E68-R71 IonicContact OE2-CZ 3.39Å; E68-R71 IonicContact OE2-NH1 3.2Å; E68-R71 PolarHBondContact OE2-NH1 2.86Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.45Å; R71-R74 PolarHBondContact O-N 3.02Å; R71-R75 WeakPolarHBondContact O-CB 3.22Å; R71-R75 PolarHBondContact O-N 2.86Å
72	R	82.9	Confident	82.2	Confident	48 Å²	48	59.7 Å²	59.7	18%	0.181	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-52.2	174.6	-179.2	-175.8	66.9	-173.1	-4	110.8	E68 E69 R74 R75 G76 D252 S350	E68-R72 WeakPolarHBondContact O-CB 3.21Å; E68-R72 PolarHBondContact O-N 3.46Å; E69-R72 PolarHBondContact O-N 2.84Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 3.07Å; R72-R75 PolarHBondContact O-N 2.86Å; R72-G76 PolarHBondContact O-N 3.2Å; R72-D252 WeakPolarHBondContact CD-OD1 3.4Å; R72-D252 IonicContact CZ-OD1 3.29Å; R72-D252 IonicContact NE-OD1 2.72Å; R72-D252 IonicContact NH1-OD1 2.8Å; R72-S350 PolarHBondContact NH1-O 2.89Å
73	L	86.6	Confident	80.5	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-34.4	-177.6	-69.1	174	0	0	0	112.7	F21 E69 M77	F21-L73 HydrophobicContact CE1-CB 4.03Å; F21-L73 HydrophobicContact CZ-CB 3.91Å; F21-L73 HydrophobicContact CZ-CD1 4.08Å; E69-L73 HydrophobicContact CG-CD1 3.88Å; E69-L73 HydrophobicContact CG-CG 4.33Å; E69-L73 WeakPolarHBondContact O-CB 3.49Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.13Å; E69-L73 PolarHBondContact O-N 2.85Å; L73-M77 WeakPolarHBondContact O-CG 3.45Å
74	R	81.7	Confident	78.3	Confident	97 Å²	97	60.9 Å²	60.9	37%	0.366	28%	0.275	S	S	.	.	H	α-helix	trans	-73.3	-42.4	173	-72.8	-172.6	-176.6	-79.7	4.9	112.6	F21 M70 R71 R72 G76 M77 D328	F21-R74 HydrophobicContact CD1-CG 4.4Å; F21-R74 HydrophobicContact CE1-CG 4.34Å; M70-R74 WeakPolarHBondContact O-CB 3.37Å; M70-R74 WeakPolarHBondContact O-CG 3.37Å; M70-R74 PolarHBondContact O-N 2.83Å; R71-R74 PolarHBondContact O-N 3.02Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 3.07Å; R74-G76 PolarHBondContact O-N 2.98Å; R74-M77 HydrophobicContact CB-CE 4.42Å; R74-M77 HydrophobicContact CG-CE 3.84Å; R74-M77 HydrophobicContact CG-SD 4.36Å; R74-M77 WeakPolarHBondContact O-CB 3.35Å; R74-M77 WeakPolarHBondContact O-CG 3.44Å; R74-M77 PolarHBondContact O-N 3.14Å; R74-M77 VanDerWaalsContact O-N 3.15Å; R74-D328 IonicContact CZ-OD2 2.75Å; R74-D328 IonicContact NH1-OD2 2.96Å; R74-D328 IonicContact NH2-OD2 2.7Å; R74-D328 PolarHBondContact NH2-OD2 2.89Å
75	R	73.6	Confident	75.8	Confident	145 Å²	145	54.1 Å²	54.1	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-27.3	173.9	-78.9	-176.5	69.1	-116.4	7.4	113.3	R71 R72 M77 D125	R71-R75 WeakPolarHBondContact O-CB 3.22Å; R71-R75 PolarHBondContact O-N 2.86Å; R72-R75 PolarHBondContact O-N 2.86Å; R75-M77 VanDerWaalsContact C-N 3.32Å; R75-D125 IonicContact CZ-OD2 3.98Å; R75-D125 IonicContact NH2-OD2 3.7Å; R75-D125 PolarHBondContact NH2-OD2 2.98Å
76	G	74.5	Confident	73.3	Confident	41 Å²	41	49.3 Å²	49.3	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	0.7	175.4	0	0	0	0	0	115.3	R72 R74	R72-G76 PolarHBondContact O-N 3.2Å; R74-G76 PolarHBondContact O-N 2.98Å
77	M	81.4	Confident	70.7	Confident	13 Å²	13	52.7 Å²	52.7	6%	0.064	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-74.5	135.2	177.3	-63.7	179.3	179.1	0	0	111.1	F21 L73 R74 R75 R267 V330	F21-M77 HydrophobicContact CD1-CE 3.43Å; F21-M77 VanDerWaalsContact CD1-CE 3.43Å; F21-M77 HydrophobicContact CE1-CE 3.38Å; F21-M77 HydrophobicContact CG-CE 4.03Å; F21-M77 HydrophobicContact CZ-CE 3.98Å; L73-M77 WeakPolarHBondContact O-CG 3.45Å; R74-M77 HydrophobicContact CB-CE 4.42Å; R74-M77 HydrophobicContact CG-CE 3.84Å; R74-M77 HydrophobicContact CG-SD 4.36Å; R74-M77 WeakPolarHBondContact O-CB 3.35Å; R74-M77 WeakPolarHBondContact O-CG 3.44Å; R74-M77 PolarHBondContact O-N 3.14Å; R74-M77 VanDerWaalsContact O-N 3.15Å; R75-M77 VanDerWaalsContact C-N 3.32Å; M77-R267 WeakPolarHBondContact CA-O 3.43Å; M77-R267 HydrophobicContact CG-CB 3.86Å; M77-V330 HydrophobicContact CE-CB 4.34Å; M77-V330 HydrophobicContact CE-CG1 3.65Å; M77-V330 HydrophobicContact CE-CG2 3.68Å; M77-V330 HydrophobicContact SD-CG1 4.06Å; M77-V330 HydrophobicContact SD-CG2 3.9Å
78	F	74.2	Confident	68.1	Low	13 Å²	13	55.6 Å²	55.6	6%	0.057	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.1	172.5	-68.7	-68.9	0	0	0	111.5	F249 V266 R267 F268 D269 R308 V310	F78-F249 HydrophobicContact CE1-CB 4.38Å; F78-F249 HydrophobicContact CE1-CD1 4.5Å; F78-F249 HydrophobicContact CE2-CB 4.22Å; F78-F249 HydrophobicContact CE2-CD2 4.15Å; F78-F249 HydrophobicContact CE2-CG 4.05Å; F78-F249 HydrophobicContact CZ-CB 3.67Å; F78-F249 AromaticContact CZ-CD1 3.66Å; F78-F249 HydrophobicContact CZ-CD1 3.66Å; F78-F249 HydrophobicContact CZ-CD2 4.06Å; F78-F249 HydrophobicContact CZ-CE1 4.31Å; F78-F249 AromaticContact CZ-CG 3.51Å; F78-F249 HydrophobicContact CZ-CG 3.51Å; F78-V266 HydrophobicContact CE2-CB 4.32Å; F78-V266 HydrophobicContact CE2-CG1 4.45Å; F78-R267 PolarHBondContact N-O 2.68Å; F78-F268 HydrophobicContact CB-CD1 3.55Å; F78-F268 HydrophobicContact CB-CE1 3.97Å; F78-F268 HydrophobicContact CB-CG 4.21Å; F78-F268 HydrophobicContact CD2-CD1 4.23Å; F78-F268 AromaticContact CD2-CE1 3.94Å; F78-F268 HydrophobicContact CD2-CE1 3.94Å; F78-F268 HydrophobicContact CD2-CZ 4.19Å; F78-F268 HydrophobicContact CG-CD1 4.28Å; F78-F268 HydrophobicContact CG-CE1 4.23Å; F78-F268 CarbonylContact O-C 3.52Å; F78-F268 WeakPolarHBondContact O-CA 3.35Å; F78-F268 WeakPolarHBondContact O-CB 3.21Å; F78-D269 PolarHBondContact O-N 2.71Å; F78-R308 HydrophobicContact CB-CG 4.06Å; F78-R308 HydrophobicContact CG-CG 4.38Å; F78-V310 HydrophobicContact CD2-CG2 3.83Å; F78-V310 HydrophobicContact CE1-CG2 4.43Å; F78-V310 HydrophobicContact CE2-CB 4.5Å; F78-V310 HydrophobicContact CE2-CG1 4.16Å; F78-V310 HydrophobicContact CE2-CG2 3.46Å; F78-V310 VanDerWaalsContact CE2-CG2 3.46Å; F78-V310 HydrophobicContact CG-CG2 4.44Å; F78-V310 HydrophobicContact CZ-CG1 4.28Å; F78-V310 HydrophobicContact CZ-CG2 3.78Å
79	A	68.9	Low	65.4	Low	19 Å²	19	54.3 Å²	54.3	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.7	164.1	0	0	0	0	0	111.2
80	L	67.5	Low	62.8	Low	10 Å²	10	61.8 Å²	61.8	5%	0.052	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-78.9	135.7	165.8	-54.8	-178.9	0	0	0	109.8	F268 A270 F273 V289 A291 F306 R308	L80-F268 HydrophobicContact CD2-CB 4.33Å; L80-F268 HydrophobicContact CD2-CD1 3.98Å; L80-F268 HydrophobicContact CD2-CG 4.49Å; L80-A270 HydrophobicContact CD1-CB 4.23Å; L80-F273 HydrophobicContact CD1-CD2 4.41Å; L80-F273 HydrophobicContact CD1-CE2 4.24Å; L80-V289 HydrophobicContact CD1-CG1 4.43Å; L80-V289 HydrophobicContact CD2-CB 4.08Å; L80-V289 HydrophobicContact CD2-CG1 3.72Å; L80-A291 HydrophobicContact CD1-CB 3.79Å; L80-F306 HydrophobicContact CB-CB 3.82Å; L80-R308 HydrophobicContact CD2-CB 3.77Å
81	L	61.7	Low	60.1	Low	36 Å²	36	63.2 Å²	63.2	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.2	-174	-57.7	179.9	0	0	0	111.8	L83 F306 C307	L81-L83 PolarHBondContact O-N 2.88Å; L81-F306 CarbonylContact O-C 3.54Å; L81-F306 WeakPolarHBondContact O-CA 3.35Å; L81-C307 PolarHBondContact N-O 3.01Å; L81-C307 PolarHBondContact O-N 2.75Å
82	P	58.9	Low	58	Low	16 Å²	16	67 Å²	67	10%	0.104	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.6	-173.9	28	-35.4	0	0	0	113	F86 E305 F306	P82-F86 VanDerWaalsContact O-CD2 3.29Å; P82-F86 WeakPolarHBondContact O-CD2 3.43Å; P82-F86 WeakPolarHBondContact O-CE2 3.43Å; P82-E305 CarbonylContact C-O 3.58Å; P82-E305 WeakPolarHBondContact CA-O 3.4Å; P82-F306 HydrophobicContact CB-CD1 3.94Å; P82-F306 HydrophobicContact CB-CE1 3.77Å; P82-F306 HydrophobicContact CB-CZ 4.39Å; P82-F306 HydrophobicContact CG-CE1 4.45Å
83	L	57.5	Low	56.3	Low	33 Å²	33	67.6 Å²	67.6	17%	0.173	36%	0.36	C	S	.	.	S	Bend	trans	-76.8	-27.8	-175.7	-78	178.8	0	0	0	114.4	L81 T85 F86 P94 E305 C307	L81-L83 PolarHBondContact O-N 2.88Å; L83-T85 PolarHBondContact O-N 3.36Å; L83-F86 HydrophobicContact CD2-CD2 4.48Å; L83-F86 PolarHBondContact O-N 3.48Å; L83-P94 HydrophobicContact CD2-CB 4.03Å; L83-P94 HydrophobicContact CD2-CG 3.66Å; L83-E305 HydrophobicContact CB-CB 4.07Å; L83-E305 HydrophobicContact CD1-CB 3.93Å; L83-E305 HydrophobicContact CG-CB 4.46Å; L83-E305 PolarHBondContact N-O 2.66Å; L83-C307 HydrophobicContact CD1-CB 3.95Å; L83-C307 HydrophobicContact CD2-CB 3.69Å; L83-C307 HydrophobicContact CG-CB 3.81Å
84	D	50.4	Low	53.9	Low	73 Å²	73	68.3 Å²	68.3	39%	0.39	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.6	-33.8	178.4	51.7	15.5	0	0	0	112.6	F86 T87	D84-F86 PolarHBondContact O-N 3.19Å; D84-F86 VanDerWaalsContact O-N 3.16Å; D84-T87 PolarHBondContact O-N 3.19Å; D84-T87 VanDerWaalsContact O-N 3.1Å; D84-T87 PolarHBondContact O-OG1 2.83Å
85	T	43.4	Very low	52.2	Low	66 Å²	66	66.7 Å²	66.7	41%	0.405	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-60.4	-23.8	178.9	-57.5	0	0	0	0	112.9	L83	L83-T85 PolarHBondContact O-N 3.36Å
86	F	40.5	Very low	51	Low	37 Å²	37	60.8 Å²	60.8	16%	0.162	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-86.9	-10.6	-179.9	-59.7	-97.1	0	0	0	113.6	P82 L83 D84 P94 L97	P82-F86 VanDerWaalsContact O-CD2 3.29Å; P82-F86 WeakPolarHBondContact O-CD2 3.43Å; P82-F86 WeakPolarHBondContact O-CE2 3.43Å; L83-F86 HydrophobicContact CD2-CD2 4.48Å; L83-F86 PolarHBondContact O-N 3.48Å; D84-F86 PolarHBondContact O-N 3.19Å; D84-F86 VanDerWaalsContact O-N 3.16Å; F86-P94 HydrophobicContact CD1-CB 3.69Å; F86-P94 HydrophobicContact CD2-CB 4.08Å; F86-P94 HydrophobicContact CE1-CB 3.6Å; F86-P94 HydrophobicContact CE2-CB 4.02Å; F86-P94 HydrophobicContact CG-CB 3.91Å; F86-P94 HydrophobicContact CZ-CB 3.78Å; F86-L97 HydrophobicContact CD1-CB 4.11Å; F86-L97 HydrophobicContact CD1-CD2 3.89Å; F86-L97 HydrophobicContact CE1-CB 3.82Å; F86-L97 HydrophobicContact CE1-CD2 3.4Å; F86-L97 VanDerWaalsContact CE1-CD2 3.4Å; F86-L97 HydrophobicContact CE1-CG 4.21Å; F86-L97 HydrophobicContact CZ-CD2 4.34Å
87	T	37.7	Very low	49.7	Very low	99 Å²	99	60.9 Å²	60.9	61%	0.607	33%	0.333	S	S	*	.	S	Bend	trans	-82.8	-13.8	-172.4	63.7	0	0	0	0	114.3	D84 G89	D84-T87 PolarHBondContact O-N 3.19Å; D84-T87 VanDerWaalsContact O-N 3.1Å; D84-T87 PolarHBondContact O-OG1 2.83Å; T87-G89 PolarHBondContact O-N 2.96Å
88	H	37.9	Very low	48.1	Very low	174 Å²	174	61.9 Å²	61.9	81%	0.806	34%	0.338	S	S	*	.	S	Bend	trans	-99.7	66	-170.7	-75.8	47.2	0	0	0	112.9
89	G	30.3	Very low	47	Very low	62 Å²	62	62.6 Å²	62.6	64%	0.639	34%	0.341	S	S	*	.	S	Bend	trans	99.6	112.6	162.4	0	0	0	0	0	116.5	T87 L91	T87-G89 PolarHBondContact O-N 2.96Å; G89-L91 PolarHBondContact O-N 3.33Å
90	I	32.6	Very low	46.1	Very low	169 Å²	169	66 Å²	66	87%	0.867	35%	0.354	S	S	*	.	S	Bend	trans	63.3	34.4	163.2	-29	-179.5	0	0	0	116.1
91	L	34.5	Very low	45.1	Very low	44 Å²	44	69.2 Å²	69.2	23%	0.23	37%	0.37	C	S	.	.			trans	-155.8	86	152.6	-109.5	132.3	0	0	0	110.6	G89 N93 A96 L97	G89-L91 PolarHBondContact O-N 3.33Å; L91-N93 PolarHBondContact O-N 3.32Å; L91-A96 HydrophobicContact CD2-CB 3.8Å; L91-L97 HydrophobicContact CD1-CD1 3.8Å; L91-L97 HydrophobicContact CD2-CB 3.96Å; L91-L97 HydrophobicContact CD2-CD1 4.25Å; L91-L97 VanDerWaalsContact CD2-N 3.35Å
92	E	42.3	Very low	44.5	Very low	206 Å²	206	68.6 Å²	68.6	96%	0.963	37%	0.367	S	S	*	.			trans	-62.1	3.8	-173.8	-60.2	-174.9	138.2	0	0	115.3
93	N	46.4	Very low	44.1	Very low	61 Å²	61	74.6 Å²	74.6	33%	0.326	39%	0.387	S	S	.	.			trans	-152.2	118.1	-170.6	-172.8	-14.1	0	0	0	111.7	L91 F95 A96 L97	L91-N93 PolarHBondContact O-N 3.32Å; N93-F95 PolarHBondContact O-N 3.33Å; N93-F95 WeakPolarHBondContact OD1-CA 3.29Å; N93-F95 WeakPolarHBondContact OD1-CB 3.3Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.47Å; N93-F95 WeakPolarHBondContact OD1-CG 3.3Å; N93-F95 PolarHBondContact OD1-N 2.79Å; N93-A96 HydrophobicContact CB-CB 3.9Å; N93-A96 WeakPolarHBondContact O-CB 3.38Å; N93-A96 PolarHBondContact O-N 2.98Å; N93-L97 PolarHBondContact O-N 3.36Å; N93-L97 VanDerWaalsContact O-N 3.14Å
94	P	37	Very low	43.8	Very low	21 Å²	21	77.3 Å²	77.3	14%	0.136	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-29.8	174.9	28.3	-37.8	0	0	0	112.7	L83 F86 A96 L97 M98	L83-P94 HydrophobicContact CD2-CB 4.03Å; L83-P94 HydrophobicContact CD2-CG 3.66Å; F86-P94 HydrophobicContact CD1-CB 3.69Å; F86-P94 HydrophobicContact CD2-CB 4.08Å; F86-P94 HydrophobicContact CE1-CB 3.6Å; F86-P94 HydrophobicContact CE2-CB 4.02Å; F86-P94 HydrophobicContact CG-CB 3.91Å; F86-P94 HydrophobicContact CZ-CB 3.78Å; P94-A96 VanDerWaalsContact C-N 3.32Å; P94-L97 PolarHBondContact O-N 2.86Å; P94-M98 WeakPolarHBondContact O-CG 3.32Å; P94-M98 PolarHBondContact O-N 3.48Å
95	F	44.8	Very low	43.6	Very low	63 Å²	63	74.6 Å²	74.6	28%	0.276	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-39.6	173.5	-45	-50.6	0	0	0	110.7	N93 M98 H99 M309	N93-F95 PolarHBondContact O-N 3.33Å; N93-F95 WeakPolarHBondContact OD1-CA 3.29Å; N93-F95 WeakPolarHBondContact OD1-CB 3.3Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.47Å; N93-F95 WeakPolarHBondContact OD1-CG 3.3Å; N93-F95 PolarHBondContact OD1-N 2.79Å; F95-M98 HydrophobicContact CD1-CE 3.96Å; F95-H99 WeakPolarHBondContact O-CB 3.25Å; F95-H99 PolarHBondContact O-CD2 3.42Å; F95-H99 VanDerWaalsContact O-CD2 3.25Å; F95-H99 PolarHBondContact O-N 3Å; F95-M309 HydrophobicContact CD1-CE 3.47Å; F95-M309 VanDerWaalsContact CD1-CE 3.47Å; F95-M309 HydrophobicContact CD1-SD 3.58Å; F95-M309 VanDerWaalsContact CD1-SD 3.58Å; F95-M309 HydrophobicContact CE1-CE 3.25Å; F95-M309 HydrophobicContact CE1-SD 3.94Å; F95-M309 HydrophobicContact CG-CE 4.24Å; F95-M309 HydrophobicContact CG-SD 4.38Å; F95-M309 HydrophobicContact CZ-CE 3.87Å
96	A	48.3	Very low	43.8	Very low	20 Å²	20	74 Å²	74	17%	0.165	38%	0.377	C	S	.	.	H	α-helix	trans	-69.4	-34.3	176	0	0	0	0	0	112.4	L91 N93 P94 Q100	L91-A96 HydrophobicContact CD2-CB 3.8Å; N93-A96 HydrophobicContact CB-CB 3.9Å; N93-A96 WeakPolarHBondContact O-CB 3.38Å; N93-A96 PolarHBondContact O-N 2.98Å; P94-A96 VanDerWaalsContact C-N 3.32Å; A96-Q100 WeakPolarHBondContact O-CB 3.44Å; A96-Q100 PolarHBondContact O-N 2.81Å
97	L	48	Very low	44.2	Very low	44 Å²	44	74.8 Å²	74.8	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-66.3	-47.7	174.4	-170.4	72.6	0	0	0	111.1	F86 L91 N93 P94 H99 Q100 M101	F86-L97 HydrophobicContact CD1-CB 4.11Å; F86-L97 HydrophobicContact CD1-CD2 3.89Å; F86-L97 HydrophobicContact CE1-CB 3.82Å; F86-L97 HydrophobicContact CE1-CD2 3.4Å; F86-L97 VanDerWaalsContact CE1-CD2 3.4Å; F86-L97 HydrophobicContact CE1-CG 4.21Å; F86-L97 HydrophobicContact CZ-CD2 4.34Å; L91-L97 HydrophobicContact CD1-CD1 3.8Å; L91-L97 HydrophobicContact CD2-CB 3.96Å; L91-L97 HydrophobicContact CD2-CD1 4.25Å; L91-L97 VanDerWaalsContact CD2-N 3.35Å; N93-L97 PolarHBondContact O-N 3.36Å; N93-L97 VanDerWaalsContact O-N 3.14Å; P94-L97 PolarHBondContact O-N 2.86Å; L97-H99 PolarHBondContact O-N 3Å; L97-Q100 CarbonylContact O-C 3.5Å; L97-Q100 PolarHBondContact O-N 3.17Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; L97-M101 HydrophobicContact CD2-SD 4.22Å; L97-M101 HydrophobicContact CG-CG 4.35Å; L97-M101 HydrophobicContact CG-SD 4.05Å; L97-M101 WeakPolarHBondContact O-CG 3.17Å; L97-M101 PolarHBondContact O-N 3.17Å
98	M	47.2	Very low	44.5	Very low	34 Å²	34	72 Å²	72	17%	0.167	36%	0.364	C	S	.	.	H	α-helix	trans	-59.7	-47.2	178.8	-69	-175.8	-65.7	0	0	111.1	P94 F95 Q100 M101 D102 M309	P94-M98 WeakPolarHBondContact O-CG 3.32Å; P94-M98 PolarHBondContact O-N 3.48Å; F95-M98 HydrophobicContact CD1-CE 3.96Å; M98-Q100 VanDerWaalsContact C-N 3.32Å; M98-Q100 PolarHBondContact O-N 3.42Å; M98-M101 PolarHBondContact O-N 3.02Å; M98-D102 PolarHBondContact O-N 3.32Å; M98-M309 HydrophobicContact CE-CB 4.2Å
99	H	51.3	Low	44.8	Very low	27 Å²	27	65 Å²	65	13%	0.125	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-26	174.9	-81	-77.2	0	0	0	114	F95 L97 R103 I475	F95-H99 WeakPolarHBondContact O-CB 3.25Å; F95-H99 PolarHBondContact O-CD2 3.42Å; F95-H99 VanDerWaalsContact O-CD2 3.25Å; F95-H99 PolarHBondContact O-N 3Å; L97-H99 PolarHBondContact O-N 3Å; H99-R103 WeakPolarHBondContact O-CB 3.49Å; H99-R103 VanDerWaalsContact O-CG 3.27Å; H99-R103 WeakPolarHBondContact O-CG 3.47Å; H99-R103 PolarHBondContact O-N 3.44Å; H99-R103 PolarHBondContact O-NE 3.26Å; H99-I475 WeakPolarHBondContact CD2-CD1 3.32Å
100	Q	49.9	Very low	45.5	Very low	90 Å²	90	68.3 Å²	68.3	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-73.5	-40.3	171.5	179.9	174.4	-54.7	0	0	111.3	A96 L97 M98 R103 H104	A96-Q100 WeakPolarHBondContact O-CB 3.44Å; A96-Q100 PolarHBondContact O-N 2.81Å; L97-Q100 CarbonylContact O-C 3.5Å; L97-Q100 PolarHBondContact O-N 3.17Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; M98-Q100 VanDerWaalsContact C-N 3.32Å; M98-Q100 PolarHBondContact O-N 3.42Å; Q100-R103 PolarHBondContact O-N 2.77Å; Q100-H104 VanDerWaalsContact O-CB 3.24Å; Q100-H104 WeakPolarHBondContact O-CB 3.38Å; Q100-H104 PolarHBondContact O-N 3.35Å
101	M	47.4	Very low	46.1	Very low	79 Å²	79	69.4 Å²	69.4	39%	0.389	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-49.3	174.6	-71.6	175.8	66.6	0	0	110.4	L97 M98 R103 H104 I105 M224	L97-M101 HydrophobicContact CD2-SD 4.22Å; L97-M101 HydrophobicContact CG-CG 4.35Å; L97-M101 HydrophobicContact CG-SD 4.05Å; L97-M101 WeakPolarHBondContact O-CG 3.17Å; L97-M101 PolarHBondContact O-N 3.17Å; M98-M101 PolarHBondContact O-N 3.02Å; M101-R103 PolarHBondContact O-N 2.93Å; M101-H104 PolarHBondContact O-N 2.93Å; M101-H104 VanDerWaalsContact O-N 3.16Å; M101-I105 WeakPolarHBondContact O-CB 3.32Å; M101-I105 WeakPolarHBondContact O-CD1 3.22Å; M101-I105 VanDerWaalsContact O-CG1 3.22Å; M101-I105 WeakPolarHBondContact O-CG1 3.32Å; M101-I105 PolarHBondContact O-N 3.01Å; M101-M224 HydrophobicContact CE-CE 4.41Å
102	D	48.3	Very low	46.3	Very low	23 Å²	23	71.9 Å²	71.9	12%	0.123	33%	0.334	C	S	.	.	H	α-helix	trans	-56.8	-48.4	174.8	-76.7	-5.2	0	0	0	111.9	M98 H104 I105 Q106 V246 Q472	M98-D102 PolarHBondContact O-N 3.32Å; D102-H104 VanDerWaalsContact C-N 3.33Å; D102-H104 PolarHBondContact O-N 3.5Å; D102-I105 PolarHBondContact O-N 3.28Å; D102-Q106 WeakPolarHBondContact O-CB 2.97Å; D102-Q106 PolarHBondContact O-N 2.91Å; D102-V246 WeakPolarHBondContact OD2-CG2 3.36Å; D102-Q472 PolarHBondContact OD2-NE2 3.06Å
103	R	51.7	Low	46.2	Very low	141 Å²	141	63.8 Å²	63.8	53%	0.532	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-36.4	176	-79	-172	-62.2	163	-1.4	113.3	H99 Q100 M101 Q106 D107	H99-R103 WeakPolarHBondContact O-CB 3.49Å; H99-R103 VanDerWaalsContact O-CG 3.27Å; H99-R103 WeakPolarHBondContact O-CG 3.47Å; H99-R103 PolarHBondContact O-N 3.44Å; H99-R103 PolarHBondContact O-NE 3.26Å; Q100-R103 PolarHBondContact O-N 2.77Å; M101-R103 PolarHBondContact O-N 2.93Å; R103-Q106 PolarHBondContact O-N 2.95Å; R103-D107 PolarHBondContact O-N 3.02Å
104	H	49.3	Very low	45.8	Very low	90 Å²	90	61.6 Å²	61.6	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-74.3	-37.1	-180	-159.5	-129.4	0	0	0	111	Q100 M101 D102 Q106 D107 I108	Q100-H104 VanDerWaalsContact O-CB 3.24Å; Q100-H104 WeakPolarHBondContact O-CB 3.38Å; Q100-H104 PolarHBondContact O-N 3.35Å; M101-H104 PolarHBondContact O-N 2.93Å; M101-H104 VanDerWaalsContact O-N 3.16Å; D102-H104 VanDerWaalsContact C-N 3.33Å; D102-H104 PolarHBondContact O-N 3.5Å; H104-Q106 VanDerWaalsContact C-N 3.26Å; H104-Q106 PolarHBondContact O-N 3.43Å; H104-D107 PolarHBondContact O-N 3.46Å; H104-I108 WeakPolarHBondContact O-CB 3.2Å; H104-I108 VanDerWaalsContact O-CD1 3.3Å; H104-I108 WeakPolarHBondContact O-CD1 3.49Å; H104-I108 WeakPolarHBondContact O-CG1 3.17Å; H104-I108 PolarHBondContact O-N 3.17Å
105	I	47.3	Very low	45.9	Very low	17 Å²	17	65.3 Å²	65.3	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-40.4	167.9	-67	157.8	0	0	0	110.1	M101 D102 I108 R109 T120	M101-I105 WeakPolarHBondContact O-CB 3.32Å; M101-I105 WeakPolarHBondContact O-CD1 3.22Å; M101-I105 VanDerWaalsContact O-CG1 3.22Å; M101-I105 WeakPolarHBondContact O-CG1 3.32Å; M101-I105 PolarHBondContact O-N 3.01Å; D102-I105 PolarHBondContact O-N 3.28Å; I105-I108 PolarHBondContact O-N 2.73Å; I105-R109 WeakPolarHBondContact O-CG 3.41Å; I105-R109 PolarHBondContact O-N 3.38Å; I105-T120 HydrophobicContact CD1-CG2 3.57Å; I105-T120 WeakPolarHBondContact CD1-OG1 3.4Å; I105-T120 HydrophobicContact CG1-CG2 4.23Å
106	Q	47.2	Very low	45.7	Very low	54 Å²	54	63.6 Å²	63.6	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-69.3	-43	177.8	-172	61.3	28.9	0	0	113.6	D102 R103 H104 I108 R109 E110	D102-Q106 WeakPolarHBondContact O-CB 2.97Å; D102-Q106 PolarHBondContact O-N 2.91Å; R103-Q106 PolarHBondContact O-N 2.95Å; H104-Q106 VanDerWaalsContact C-N 3.26Å; H104-Q106 PolarHBondContact O-N 3.43Å; Q106-I108 VanDerWaalsContact C-N 3.3Å; Q106-I108 PolarHBondContact O-N 2.92Å; Q106-R109 WeakPolarHBondContact O-CB 3.46Å; Q106-R109 PolarHBondContact O-N 2.74Å; Q106-E110 PolarHBondContact NE2-OE1 2.87Å; Q106-E110 WeakPolarHBondContact O-CG 3.41Å; Q106-E110 PolarHBondContact O-N 2.68Å
107	D	48.6	Very low	45	Very low	53 Å²	53	64.2 Å²	64.2	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-37.5	172.7	-178.4	31.3	0	0	0	111.2	R103 H104 E110 R111	R103-D107 PolarHBondContact O-N 3.02Å; H104-D107 PolarHBondContact O-N 3.46Å; D107-E110 PolarHBondContact O-N 2.72Å; D107-R111 VanDerWaalsContact CG-NE 3.27Å; D107-R111 WeakPolarHBondContact O-CB 3.47Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.42Å; D107-R111 PolarHBondContact O-N 3.38Å; D107-R111 IonicContact OD1-CZ 2.69Å; D107-R111 IonicContact OD1-NE 2.74Å; D107-R111 PolarHBondContact OD1-NE 3.49Å; D107-R111 IonicContact OD1-NH2 3.96Å; D107-R111 PolarHBondContact OD1-NH2 3.1Å; D107-R111 IonicContact OD2-CZ 3.78Å; D107-R111 IonicContact OD2-NE 2.74Å; D107-R111 PolarHBondContact OD2-NE 2.8Å; D107-R111 VanDerWaalsContact OD2-NE 3.15Å; D107-R111 IonicContact OD2-NH2 3.78Å; D107-R111 PolarHBondContact OD2-NH2 2.94Å
108	I	45.3	Very low	44.3	Very low	40 Å²	40	63.3 Å²	63.3	21%	0.205	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-43.3	172.4	-68.6	161.8	0	0	0	111.3	H104 I105 Q106 E110 R111 M112 L220	H104-I108 WeakPolarHBondContact O-CB 3.2Å; H104-I108 VanDerWaalsContact O-CD1 3.3Å; H104-I108 WeakPolarHBondContact O-CD1 3.49Å; H104-I108 WeakPolarHBondContact O-CG1 3.17Å; H104-I108 PolarHBondContact O-N 3.17Å; I105-I108 PolarHBondContact O-N 2.73Å; Q106-I108 VanDerWaalsContact C-N 3.3Å; Q106-I108 PolarHBondContact O-N 2.92Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 2.69Å; I108-R111 PolarHBondContact O-N 3.31Å; I108-M112 HydrophobicContact CG2-CE 4.05Å; I108-M112 HydrophobicContact CG2-CG 4.24Å; I108-M112 HydrophobicContact CG2-SD 4.47Å; I108-M112 WeakPolarHBondContact O-CB 2.88Å; I108-M112 VanDerWaalsContact O-CG 3.29Å; I108-M112 WeakPolarHBondContact O-CG 3.48Å; I108-M112 PolarHBondContact O-N 2.88Å; I108-L220 HydrophobicContact CD1-CD2 3.6Å
109	R	42.5	Very low	43.6	Very low	27 Å²	27	62.6 Å²	62.6	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-56.1	-48.7	173.2	-74.4	164.1	175.4	-175.6	-7	111.9	I105 Q106 M112 G113 V117 S119 P446	I105-R109 WeakPolarHBondContact O-CG 3.41Å; I105-R109 PolarHBondContact O-N 3.38Å; Q106-R109 WeakPolarHBondContact O-CB 3.46Å; Q106-R109 PolarHBondContact O-N 2.74Å; R109-M112 PolarHBondContact O-N 2.95Å; R109-G113 PolarHBondContact O-N 3.3Å; R109-V117 HydrophobicContact CG-CB 3.83Å; R109-V117 WeakPolarHBondContact CG-O 3.45Å; R109-V117 PolarHBondContact NE-O 2.92Å; R109-V117 PolarHBondContact NH2-O 3.29Å; R109-S119 PolarHBondContact NH2-OG 3.01Å; R109-P446 PolarHBondContact NH1-O 2.85Å
110	E	46.3	Very low	42.7	Very low	131 Å²	131	63.7 Å²	63.7	61%	0.612	31%	0.311	S	S	*	.	H	α-helix	trans	-65.5	-44.4	-176.5	-72.4	172.8	-159.3	0	0	111.1	Q106 D107 I108 G113	Q106-E110 PolarHBondContact NE2-OE1 2.87Å; Q106-E110 WeakPolarHBondContact O-CG 3.41Å; Q106-E110 PolarHBondContact O-N 2.68Å; D107-E110 PolarHBondContact O-N 2.72Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 2.69Å; E110-G113 PolarHBondContact O-N 3.15Å
111	R	45.7	Very low	41.8	Very low	192 Å²	192	59.4 Å²	59.4	73%	0.725	29%	0.292	S	S	*	.	H	α-helix	trans	-68.2	-36.1	176.7	-69.4	178.8	-165.7	-153.4	12.1	114	D107 I108 G113	D107-R111 VanDerWaalsContact CG-NE 3.27Å; D107-R111 WeakPolarHBondContact O-CB 3.47Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.42Å; D107-R111 PolarHBondContact O-N 3.38Å; D107-R111 IonicContact OD1-CZ 2.69Å; D107-R111 IonicContact OD1-NE 2.74Å; D107-R111 PolarHBondContact OD1-NE 3.49Å; D107-R111 IonicContact OD1-NH2 3.96Å; D107-R111 PolarHBondContact OD1-NH2 3.1Å; D107-R111 IonicContact OD2-CZ 3.78Å; D107-R111 IonicContact OD2-NE 2.74Å; D107-R111 PolarHBondContact OD2-NE 2.8Å; D107-R111 VanDerWaalsContact OD2-NE 3.15Å; D107-R111 IonicContact OD2-NH2 3.78Å; D107-R111 PolarHBondContact OD2-NH2 2.94Å; I108-R111 PolarHBondContact O-N 3.31Å; R111-G113 PolarHBondContact O-N 3.18Å
112	M	38.5	Very low	41.2	Very low	96 Å²	96	57.9 Å²	57.9	47%	0.473	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.9	178.2	-64.3	-144.2	-60.2	0	0	113.2	I108 R109 S114 V117	I108-M112 HydrophobicContact CG2-CE 4.05Å; I108-M112 HydrophobicContact CG2-CG 4.24Å; I108-M112 HydrophobicContact CG2-SD 4.47Å; I108-M112 WeakPolarHBondContact O-CB 2.88Å; I108-M112 VanDerWaalsContact O-CG 3.29Å; I108-M112 WeakPolarHBondContact O-CG 3.48Å; I108-M112 PolarHBondContact O-N 2.88Å; R109-M112 PolarHBondContact O-N 2.95Å; M112-S114 PolarHBondContact O-N 3.34Å; M112-V117 HydrophobicContact CE-CB 4.43Å; M112-V117 HydrophobicContact CE-CG1 4.19Å; M112-V117 HydrophobicContact CE-CG2 3.37Å
113	G	39.3	Very low	40.4	Very low	37 Å²	37	57.9 Å²	57.9	38%	0.381	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	11.7	171.9	0	0	0	0	0	114.9	R109 E110 R111 K191	R109-G113 PolarHBondContact O-N 3.3Å; E110-G113 PolarHBondContact O-N 3.15Å; R111-G113 PolarHBondContact O-N 3.18Å; G113-K191 WeakPolarHBondContact O-CD 3.29Å; G113-K191 WeakPolarHBondContact O-CE 3.48Å; G113-K191 PolarHBondContact O-NZ 3.41Å
114	S	39.1	Very low	39.5	Very low	14 Å²	14	53 Å²	53	10%	0.098	28%	0.277	C	S	.	.			trans	-126.7	121.2	-172.5	175.3	0	0	0	0	108.7	M112 D116	M112-S114 PolarHBondContact O-N 3.34Å; S114-D116 PolarHBondContact O-N 2.88Å; S114-D116 PolarHBondContact OG-N 2.98Å
115	M	38.5	Very low	38.8	Very low	100 Å²	100	51.2 Å²	51.2	49%	0.493	27%	0.27	S	S	.	.	S	Bend	trans	-72	-1	175.6	-72.8	166.9	53	0	0	112.8	Y382	M115-Y382 VanDerWaalsContact CE-OH 3.32Å; M115-Y382 WeakPolarHBondContact CE-OH 3.21Å
116	D	40.1	Very low	38.2	Very low	27 Å²	27	53.7 Å²	53.7	14%	0.144	28%	0.28	C	S	.	.			trans	-106.2	37.2	-173.8	-64.4	-83.7	0	0	0	112.6	S114 P118 R415 A444	S114-D116 PolarHBondContact O-N 2.88Å; S114-D116 PolarHBondContact OG-N 2.98Å; D116-P118 VanDerWaalsContact O-CD 3.28Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å; D116-R415 IonicContact OD1-NH2 3.85Å; D116-A444 WeakPolarHBondContact OD1-CB 3.42Å
117	V	33.2	Very low	37.7	Very low	33 Å²	33	52.5 Å²	52.5	20%	0.2	28%	0.276	C	S	.	.			trans	-103.2	88.6	163.3	-169.1	0	0	0	0	107.9	R109 M112	R109-V117 HydrophobicContact CG-CB 3.83Å; R109-V117 WeakPolarHBondContact CG-O 3.45Å; R109-V117 PolarHBondContact NE-O 2.92Å; R109-V117 PolarHBondContact NH2-O 3.29Å; M112-V117 HydrophobicContact CE-CB 4.43Å; M112-V117 HydrophobicContact CE-CG1 4.19Å; M112-V117 HydrophobicContact CE-CG2 3.37Å
118	P	34	Very low	37.2	Very low	25 Å²	25	55.1 Å²	55.1	16%	0.162	29%	0.285	C	S	.	.			trans	-79.5	154.3	-163.5	-19.2	39.7	0	0	0	110.1	D116 T120 V123 L127	D116-P118 VanDerWaalsContact O-CD 3.28Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-T120 PolarHBondContact O-N 3.49Å; P118-V123 HydrophobicContact CB-CB 3.73Å; P118-V123 HydrophobicContact CB-CG1 3.8Å; P118-V123 HydrophobicContact CB-CG2 3.67Å; P118-V123 HydrophobicContact CG-CB 4.06Å; P118-V123 HydrophobicContact CG-CG1 3.52Å; P118-V123 HydrophobicContact CG-CG2 4.19Å; P118-L127 HydrophobicContact CG-CD1 4.01Å
119	S	32.9	Very low	37	Very low	19 Å²	19	57.4 Å²	57.4	13%	0.133	30%	0.297	C	S	.	.			trans	-53.8	141.4	-175.5	-61.7	0	0	0	0	110.1	R109 G121 S245	R109-S119 PolarHBondContact NH2-OG 3.01Å; S119-G121 PolarHBondContact O-N 2.82Å; S119-S245 WeakPolarHBondContact CB-OG 3.37Å
120	T	31	Very low	37.2	Very low	49 Å²	49	56.1 Å²	56.1	30%	0.301	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	109.4	-176.7	44.7	0	0	0	0	110.7	I105 P118 M224 T243 G244 S245	I105-T120 HydrophobicContact CD1-CG2 3.57Å; I105-T120 WeakPolarHBondContact CD1-OG1 3.4Å; I105-T120 HydrophobicContact CG1-CG2 4.23Å; P118-T120 PolarHBondContact O-N 3.49Å; T120-M224 HydrophobicContact CG2-CE 4.18Å; T120-T243 CarbonylContact C-O 3.55Å; T120-G244 CarbonylContact O-C 3.44Å; T120-S245 WeakPolarHBondContact O-CA 3.48Å; T120-S245 PolarHBondContact O-N 3.41Å
121	G	31.4	Very low	37.4	Very low	1 Å²	1	53.1 Å²	53.1	1%	0.01	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	120.1	108.7	166.6	0	0	0	0	0	116.2	S119 T243 S245	S119-G121 PolarHBondContact O-N 2.82Å; G121-T243 WeakPolarHBondContact CA-O 3.17Å; G121-S245 PolarHBondContact O-N 3.37Å
122	S	35.8	Very low	37.7	Very low	46 Å²	46	46.2 Å²	46.2	32%	0.322	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.6	-23.7	-168.4	-167.8	0	0	0	0	113.1
123	V	31.3	Very low	38.2	Very low	24 Å²	24	46.4 Å²	46.4	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-114.9	-4.7	172.1	-171.3	0	0	0	0	112.6	P118 D125 F126 L127	P118-V123 HydrophobicContact CB-CB 3.73Å; P118-V123 HydrophobicContact CB-CG1 3.8Å; P118-V123 HydrophobicContact CB-CG2 3.67Å; P118-V123 HydrophobicContact CG-CB 4.06Å; P118-V123 HydrophobicContact CG-CG1 3.52Å; P118-V123 HydrophobicContact CG-CG2 4.19Å; V123-D125 PolarHBondContact O-N 2.9Å; V123-D125 VanDerWaalsContact O-N 3.1Å; V123-F126 HydrophobicContact CG1-CB 4.35Å; V123-F126 HydrophobicContact CG1-CD1 3.43Å; V123-F126 VanDerWaalsContact CG1-CD1 3.43Å; V123-F126 HydrophobicContact CG1-CE1 4.07Å; V123-F126 HydrophobicContact CG1-CG 4.29Å; V123-L127 HydrophobicContact CG1-CB 4.03Å; V123-L127 HydrophobicContact CG1-CD1 3.96Å; V123-L127 HydrophobicContact CG1-CG 3.58Å; V123-L127 PolarHBondContact O-N 2.93Å
124	S	32.8	Very low	38.9	Very low	39 Å²	39	45.1 Å²	45.1	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-52.5	-23	159.6	49.2	0	0	0	0	113.1	K128	S124-K128 VanDerWaalsContact O-CB 3.28Å; S124-K128 WeakPolarHBondContact O-CB 3.43Å; S124-K128 VanDerWaalsContact O-CD 3.23Å; S124-K128 WeakPolarHBondContact O-CD 3.5Å; S124-K128 WeakPolarHBondContact O-CG 3.2Å
125	D	34.6	Very low	39.7	Very low	51 Å²	51	52.3 Å²	52.3	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-93.2	-68.2	-179.1	-51.3	9.7	0	0	0	106.5	R75 V123 L127 K128 D129	R75-D125 IonicContact CZ-OD2 3.98Å; R75-D125 IonicContact NH2-OD2 3.7Å; R75-D125 PolarHBondContact NH2-OD2 2.98Å; V123-D125 PolarHBondContact O-N 2.9Å; V123-D125 VanDerWaalsContact O-N 3.1Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 2.78Å; D125-L127 VanDerWaalsContact O-N 3.07Å; D125-K128 PolarHBondContact O-N 2.85Å; D125-D129 WeakPolarHBondContact O-CB 3.43Å; D125-D129 PolarHBondContact O-N 3.46Å
126	F	34	Very low	41	Very low	69 Å²	69	50.5 Å²	50.5	30%	0.303	27%	0.269	S	S	.	.	H	α-helix	trans	-50	-38.9	179.3	154.9	-122.4	0	0	0	115.2	V123 D129 A130 M187	V123-F126 HydrophobicContact CG1-CB 4.35Å; V123-F126 HydrophobicContact CG1-CD1 3.43Å; V123-F126 VanDerWaalsContact CG1-CD1 3.43Å; V123-F126 HydrophobicContact CG1-CE1 4.07Å; V123-F126 HydrophobicContact CG1-CG 4.29Å; F126-D129 CarbonylContact O-C 3.51Å; F126-A130 HydrophobicContact CD2-CB 4.49Å; F126-A130 HydrophobicContact CE2-CB 4.16Å; F126-A130 VanDerWaalsContact O-CB 3.24Å; F126-A130 WeakPolarHBondContact O-CB 3.23Å; F126-A130 PolarHBondContact O-N 2.89Å; F126-M187 HydrophobicContact CZ-CE 4.23Å
127	L	36.1	Very low	41.5	Very low	29 Å²	29	52 Å²	52	15%	0.152	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-17	178.1	-75.1	-170.6	0	0	0	115.5	P118 V123 D125 D129 A130 Y131 F141	P118-L127 HydrophobicContact CG-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CB 4.03Å; V123-L127 HydrophobicContact CG1-CD1 3.96Å; V123-L127 HydrophobicContact CG1-CG 3.58Å; V123-L127 PolarHBondContact O-N 2.93Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 2.78Å; D125-L127 VanDerWaalsContact O-N 3.07Å; L127-D129 VanDerWaalsContact C-N 3.3Å; L127-A130 HydrophobicContact CD2-CB 3.58Å; L127-Y131 HydrophobicContact CB-CD2 4.33Å; L127-Y131 HydrophobicContact CD1-CE2 4.34Å; L127-Y131 HydrophobicContact CD2-CD2 4.22Å; L127-Y131 HydrophobicContact CD2-CE2 3.96Å; L127-Y131 WeakPolarHBondContact O-CB 3.18Å; L127-Y131 WeakPolarHBondContact O-CD2 3.42Å; L127-Y131 PolarHBondContact O-N 2.74Å; L127-F141 HydrophobicContact CD2-CE2 4.25Å
128	K	38.2	Very low	42.4	Very low	109 Å²	109	54.6 Å²	54.6	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-35.7	160.7	-74.8	-174.4	-169.3	-163.1	0	110.1	S124 D125 A130 D225	S124-K128 VanDerWaalsContact O-CB 3.28Å; S124-K128 WeakPolarHBondContact O-CB 3.43Å; S124-K128 VanDerWaalsContact O-CD 3.23Å; S124-K128 WeakPolarHBondContact O-CD 3.5Å; S124-K128 WeakPolarHBondContact O-CG 3.2Å; D125-K128 PolarHBondContact O-N 2.85Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-D225 IonicContact NZ-OD1 3.57Å; K128-D225 PolarHBondContact NZ-OD1 2.68Å; K128-D225 IonicContact NZ-OD2 3.84Å; K128-D225 PolarHBondContact NZ-OD2 3.33Å
129	D	41.6	Very low	43.3	Very low	87 Å²	87	54.4 Å²	54.4	47%	0.465	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.3	174.1	-57.4	-22.8	0	0	0	112.9	D125 F126 L127 R144	D125-D129 WeakPolarHBondContact O-CB 3.43Å; D125-D129 PolarHBondContact O-N 3.46Å; F126-D129 CarbonylContact O-C 3.51Å; L127-D129 VanDerWaalsContact C-N 3.3Å; D129-R144 PolarHBondContact O-NH1 3.48Å
130	A	47.7	Very low	44.5	Very low	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-43.8	172.6	0	0	0	0	0	111.6	F126 L127 K128 E132 F141 K142	F126-A130 HydrophobicContact CD2-CB 4.49Å; F126-A130 HydrophobicContact CE2-CB 4.16Å; F126-A130 VanDerWaalsContact O-CB 3.24Å; F126-A130 WeakPolarHBondContact O-CB 3.23Å; F126-A130 PolarHBondContact O-N 2.89Å; L127-A130 HydrophobicContact CD2-CB 3.58Å; K128-A130 VanDerWaalsContact C-N 3.31Å; A130-E132 PolarHBondContact O-N 2.74Å; A130-F141 HydrophobicContact CB-CD2 4.14Å; A130-F141 HydrophobicContact CB-CE2 4.03Å; A130-F141 CarbonylContact O-C 3.36Å; A130-F141 VanDerWaalsContact O-CA 3.3Å; A130-F141 WeakPolarHBondContact O-CA 3.39Å; A130-K142 WeakPolarHBondContact CA-O 3.28Å; A130-K142 WeakPolarHBondContact CB-O 3.45Å; A130-K142 PolarHBondContact O-N 2.73Å
131	Y	50.6	Low	46.2	Very low	69 Å²	69	52.1 Å²	52.1	27%	0.271	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	74.6	178.7	-69.4	-73.9	0	0	0	111.2	L127 V139 H140 F141 P190	L127-Y131 HydrophobicContact CB-CD2 4.33Å; L127-Y131 HydrophobicContact CD1-CE2 4.34Å; L127-Y131 HydrophobicContact CD2-CD2 4.22Å; L127-Y131 HydrophobicContact CD2-CE2 3.96Å; L127-Y131 WeakPolarHBondContact O-CB 3.18Å; L127-Y131 WeakPolarHBondContact O-CD2 3.42Å; L127-Y131 PolarHBondContact O-N 2.74Å; Y131-V139 HydrophobicContact CD1-CG1 3.91Å; Y131-V139 HydrophobicContact CG-CG1 4.38Å; Y131-H140 CarbonylContact C-O 3.56Å; Y131-H140 VanDerWaalsContact CA-O 3.29Å; Y131-H140 WeakPolarHBondContact CA-O 3.45Å; Y131-F141 HydrophobicContact CD1-CB 4.45Å; Y131-F141 HydrophobicContact CD1-CD2 4.18Å; Y131-F141 HydrophobicContact CE1-CB 4.15Å; Y131-F141 AromaticContact CE1-CD2 3.66Å; Y131-F141 HydrophobicContact CE1-CD2 3.66Å; Y131-F141 HydrophobicContact CE1-CG 4.33Å; Y131-F141 HydrophobicContact CE2-CD2 4.05Å; Y131-F141 HydrophobicContact CE2-CE2 4.26Å; Y131-F141 AromaticContact CZ-CD2 3.6Å; Y131-P190 WeakPolarHBondContact OH-CG 3.41Å
132	E	50.5	Low	48	Very low	47 Å²	47	52.9 Å²	52.9	22%	0.22	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	-178	-68.1	-178.9	-147.9	0	0	112	A130 G134 H140 K142 R144	A130-E132 PolarHBondContact O-N 2.74Å; E132-G134 PolarHBondContact O-N 2.85Å; E132-H140 PolarHBondContact N-O 3.5Å; E132-H140 WeakPolarHBondContact O-CB 3.19Å; E132-H140 PolarHBondContact O-N 2.87Å; E132-K142 HydrophobicContact CB-CD 4.01Å; E132-K142 HydrophobicContact CG-CD 4.2Å; E132-K142 WeakPolarHBondContact OE2-CD 3.45Å; E132-K142 WeakPolarHBondContact OE2-CE 3.43Å; E132-K142 IonicContact OE2-NZ 2.75Å; E132-K142 PolarHBondContact OE2-NZ 2.7Å; E132-R144 IonicContact OE1-CZ 3.79Å; E132-R144 IonicContact OE1-NH1 3.73Å; E132-R144 PolarHBondContact OE1-NH1 2.8Å; E132-R144 IonicContact OE1-NH2 3.44Å; E132-R144 PolarHBondContact OE1-NH2 3.01Å; E132-R144 IonicContact OE2-NH2 3.19Å
133	V	49.5	Very low	49.4	Very low	100 Å²	100	53 Å²	53	61%	0.606	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.2	171.9	-175.8	0	0	0	0	110	K138 V139	V133-K138 CarbonylContact C-O 3.59Å; V133-K138 WeakPolarHBondContact CA-O 3.24Å; V133-V139 HydrophobicContact CG2-CG2 4.19Å
134	G	54	Low	51.3	Low	9 Å²	9	57.9 Å²	57.9	9%	0.093	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-81.9	170	174.7	0	0	0	0	0	113.9	E132 D136 G137 K138	E132-G134 PolarHBondContact O-N 2.85Å; G134-D136 PolarHBondContact O-N 3.1Å; G134-D136 VanDerWaalsContact O-N 3.16Å; G134-G137 PolarHBondContact O-N 2.95Å; G134-K138 PolarHBondContact N-O 2.82Å
135	E	55.4	Low	53	Low	165 Å²	165	59.3 Å²	59.3	77%	0.771	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.4	173	-74.9	170.1	159.1	0	0	113.6	G137 F209	E135-G137 PolarHBondContact O-N 2.87Å; E135-F209 HydrophobicContact CB-CE1 4.5Å; E135-F209 VanDerWaalsContact CD-CZ 3.4Å; E135-F209 HydrophobicContact CG-CE1 3.62Å; E135-F209 HydrophobicContact CG-CZ 3.63Å; E135-F209 VanDerWaalsContact OE1-CZ 3.23Å; E135-F209 WeakPolarHBondContact OE1-CZ 3.5Å
136	D	67.3	Low	54.5	Low	62 Å²	62	62.6 Å²	62.6	33%	0.332	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5.1	174.2	75	-24.4	0	0	0	113.5	G134 K138 H140	G134-D136 PolarHBondContact O-N 3.1Å; G134-D136 VanDerWaalsContact O-N 3.16Å; D136-K138 VanDerWaalsContact C-N 3.25Å; D136-K138 PolarHBondContact O-N 2.95Å; D136-K138 WeakPolarHBondContact OD1-CB 3.36Å; D136-K138 PolarHBondContact OD1-N 2.94Å; D136-K138 VanDerWaalsContact OD1-N 3.14Å; D136-K138 VanDerWaalsContact OD2-CD 3.28Å; D136-K138 WeakPolarHBondContact OD2-CD 3.48Å; D136-K138 WeakPolarHBondContact OD2-CE 3.46Å; D136-K138 WeakPolarHBondContact OD2-CG 3.32Å; D136-K138 IonicContact OD2-NZ 3.64Å; D136-K138 PolarHBondContact OD2-NZ 2.94Å; D136-H140 IonicContact OD1-CE1 2.67Å; D136-H140 IonicContact OD1-NE2 2.78Å; D136-H140 PolarHBondContact OD1-NE2 2.9Å; D136-H140 IonicContact OD2-NE2 3.79Å
137	G	49	Very low	56.3	Low	60 Å²	60	60.4 Å²	60.4	62%	0.619	31%	0.313	S	S	*	.	S	Bend	trans	75.7	6.8	-179.4	0	0	0	0	0	114.5	G134 E135	G134-G137 PolarHBondContact O-N 2.95Å; E135-G137 PolarHBondContact O-N 2.87Å
138	K	52.8	Low	58.1	Low	87 Å²	87	66.3 Å²	66.3	38%	0.378	34%	0.34	S	S	.	.	S	Bend	trans	-103.1	152.3	-178.3	-54.8	-175.9	-156.7	120.8	0	110.7	V133 G134 D136 I213	V133-K138 CarbonylContact C-O 3.59Å; V133-K138 WeakPolarHBondContact CA-O 3.24Å; G134-K138 PolarHBondContact N-O 2.82Å; D136-K138 VanDerWaalsContact C-N 3.25Å; D136-K138 PolarHBondContact O-N 2.95Å; D136-K138 WeakPolarHBondContact OD1-CB 3.36Å; D136-K138 PolarHBondContact OD1-N 2.94Å; D136-K138 VanDerWaalsContact OD1-N 3.14Å; D136-K138 VanDerWaalsContact OD2-CD 3.28Å; D136-K138 WeakPolarHBondContact OD2-CD 3.48Å; D136-K138 WeakPolarHBondContact OD2-CE 3.46Å; D136-K138 WeakPolarHBondContact OD2-CG 3.32Å; D136-K138 IonicContact OD2-NZ 3.64Å; D136-K138 PolarHBondContact OD2-NZ 2.94Å; K138-I213 HydrophobicContact CB-CG1 4.37Å; K138-I213 HydrophobicContact CB-CG2 4.4Å; K138-I213 HydrophobicContact CD-CB 4.32Å; K138-I213 HydrophobicContact CD-CD1 3.52Å; K138-I213 HydrophobicContact CD-CG1 3.66Å; K138-I213 HydrophobicContact CD-CG2 3.7Å
139	V	53.7	Low	59.9	Low	21 Å²	21	63.1 Å²	63.1	13%	0.127	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.1	173.5	175.6	0	0	0	0	109	Y131 V133 F218	Y131-V139 HydrophobicContact CD1-CG1 3.91Å; Y131-V139 HydrophobicContact CG-CG1 4.38Å; V133-V139 HydrophobicContact CG2-CG2 4.19Å; V139-F218 HydrophobicContact CB-CE2 4.23Å; V139-F218 HydrophobicContact CB-CZ 4.13Å; V139-F218 HydrophobicContact CG1-CE2 4.28Å; V139-F218 HydrophobicContact CG1-CZ 3.72Å; V139-F218 HydrophobicContact CG2-CD2 4.28Å; V139-F218 HydrophobicContact CG2-CE1 4.29Å; V139-F218 HydrophobicContact CG2-CE2 3.52Å; V139-F218 HydrophobicContact CG2-CZ 3.57Å
140	H	57.9	Low	61.8	Low	3 Å²	3	59.7 Å²	59.7	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.6	177.2	-66.8	167.4	0	0	0	110.8	Y131 E132 D136 K142 H211 G212	Y131-H140 CarbonylContact C-O 3.56Å; Y131-H140 VanDerWaalsContact CA-O 3.29Å; Y131-H140 WeakPolarHBondContact CA-O 3.45Å; E132-H140 PolarHBondContact N-O 3.5Å; E132-H140 WeakPolarHBondContact O-CB 3.19Å; E132-H140 PolarHBondContact O-N 2.87Å; D136-H140 IonicContact OD1-CE1 2.67Å; D136-H140 IonicContact OD1-NE2 2.78Å; D136-H140 PolarHBondContact OD1-NE2 2.9Å; D136-H140 IonicContact OD2-NE2 3.79Å; H140-K142 HydrophobicContact CB-CG 4.24Å; H140-H211 AromaticContact CD2-ND1 3.91Å; H140-H211 AromaticContact CE1-CE1 3.81Å; H140-H211 AromaticContact CE1-CG 3.97Å; H140-H211 AromaticContact CE1-ND1 3.17Å; H140-H211 PolarHBondContact CE1-ND1 3.4Å; H140-H211 AromaticContact NE2-CE1 3.72Å; H140-H211 AromaticContact NE2-CG 3.96Å; H140-H211 AromaticContact NE2-ND1 2.95Å; H140-H211 PolarHBondContact NE2-ND1 3.14Å; H140-G212 VanDerWaalsContact CA-O 3.25Å; H140-G212 WeakPolarHBondContact CA-O 3.37Å; H140-G212 PolarHBondContact CD2-N 3.05Å; H140-G212 VanDerWaalsContact CD2-N 3.28Å
141	F	66.2	Low	63.6	Low	16 Å²	16	60.9 Å²	60.9	7%	0.07	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.2	163.3	-173.9	-111.2	0	0	0	110.1	L127 A130 Y131 V143 M187 L189 P190 I193	L127-F141 HydrophobicContact CD2-CE2 4.25Å; A130-F141 HydrophobicContact CB-CD2 4.14Å; A130-F141 HydrophobicContact CB-CE2 4.03Å; A130-F141 CarbonylContact O-C 3.36Å; A130-F141 VanDerWaalsContact O-CA 3.3Å; A130-F141 WeakPolarHBondContact O-CA 3.39Å; Y131-F141 HydrophobicContact CD1-CB 4.45Å; Y131-F141 HydrophobicContact CD1-CD2 4.18Å; Y131-F141 HydrophobicContact CE1-CB 4.15Å; Y131-F141 AromaticContact CE1-CD2 3.66Å; Y131-F141 HydrophobicContact CE1-CD2 3.66Å; Y131-F141 HydrophobicContact CE1-CG 4.33Å; Y131-F141 HydrophobicContact CE2-CD2 4.05Å; Y131-F141 HydrophobicContact CE2-CE2 4.26Å; Y131-F141 AromaticContact CZ-CD2 3.6Å; F141-V143 HydrophobicContact CD1-CG2 4.09Å; F141-V143 HydrophobicContact CE1-CG2 3.41Å; F141-V143 VanDerWaalsContact CE1-CG2 3.41Å; F141-V143 HydrophobicContact CE2-CG2 4.44Å; F141-V143 HydrophobicContact CZ-CG2 3.62Å; F141-M187 HydrophobicContact CE1-SD 4.46Å; F141-M187 HydrophobicContact CZ-SD 4.19Å; F141-L189 HydrophobicContact CE1-CD2 4.12Å; F141-P190 HydrophobicContact CE2-CG 4.34Å; F141-P190 HydrophobicContact CZ-CG 4.37Å; F141-I193 HydrophobicContact CB-CD1 3.57Å; F141-I193 HydrophobicContact CB-CG1 4.29Å; F141-I193 HydrophobicContact CD1-CD1 4.37Å; F141-I193 HydrophobicContact CD1-CG1 4.16Å; F141-I193 HydrophobicContact CG-CD1 4.05Å; F141-I193 HydrophobicContact CG-CG1 4.28Å
142	K	68.1	Low	65.1	Low	17 Å²	17	61.5 Å²	61.5	7%	0.074	34%	0.341	C	S	.	.			trans	-125.3	135.6	-177.7	-61.1	-172.8	-172.2	172.6	0	109.3	A130 E132 H140	A130-K142 WeakPolarHBondContact CA-O 3.28Å; A130-K142 WeakPolarHBondContact CB-O 3.45Å; A130-K142 PolarHBondContact O-N 2.73Å; E132-K142 HydrophobicContact CB-CD 4.01Å; E132-K142 HydrophobicContact CG-CD 4.2Å; E132-K142 WeakPolarHBondContact OE2-CD 3.45Å; E132-K142 WeakPolarHBondContact OE2-CE 3.43Å; E132-K142 IonicContact OE2-NZ 2.75Å; E132-K142 PolarHBondContact OE2-NZ 2.7Å; H140-K142 HydrophobicContact CB-CG 4.24Å
143	V	66.8	Low	66.9	Low	48 Å²	48	66.6 Å²	66.6	29%	0.291	37%	0.365	S	S	.	.			trans	-130.5	127.5	177	-175	0	0	0	0	108.4	F141 F145 M187	F141-V143 HydrophobicContact CD1-CG2 4.09Å; F141-V143 HydrophobicContact CE1-CG2 3.41Å; F141-V143 VanDerWaalsContact CE1-CG2 3.41Å; F141-V143 HydrophobicContact CE2-CG2 4.44Å; F141-V143 HydrophobicContact CZ-CG2 3.62Å; V143-F145 HydrophobicContact CB-CE2 4Å; V143-F145 HydrophobicContact CB-CZ 4.43Å; V143-F145 HydrophobicContact CG1-CD2 4.17Å; V143-F145 HydrophobicContact CG1-CE1 4.27Å; V143-F145 HydrophobicContact CG1-CE2 3.49Å; V143-F145 VanDerWaalsContact CG1-CE2 3.49Å; V143-F145 HydrophobicContact CG1-CZ 3.56Å; V143-M187 HydrophobicContact CB-SD 4.33Å; V143-M187 HydrophobicContact CG1-CE 3.55Å; V143-M187 HydrophobicContact CG1-SD 3.8Å; V143-M187 HydrophobicContact CG2-CE 4.34Å; V143-M187 HydrophobicContact CG2-SD 3.61Å
144	R	69.6	Low	68.8	Low	127 Å²	127	63.5 Å²	63.5	48%	0.479	35%	0.345	S	S	.	.			trans	-101.6	130.1	179.6	-64.7	174.6	174.5	85.7	-2.2	108.7	D129 E132	D129-R144 PolarHBondContact O-NH1 3.48Å; E132-R144 IonicContact OE1-CZ 3.79Å; E132-R144 IonicContact OE1-NH1 3.73Å; E132-R144 PolarHBondContact OE1-NH1 2.8Å; E132-R144 IonicContact OE1-NH2 3.44Å; E132-R144 PolarHBondContact OE1-NH2 3.01Å; E132-R144 IonicContact OE2-NH2 3.19Å
145	F	69.5	Low	70.3	Confident	70 Å²	70	64.9 Å²	64.9	31%	0.307	35%	0.35	S	S	.	.			trans	-118.2	132.2	173.7	-63	-88	0	0	0	108.2	V143 A147 V166 F183 R185	V143-F145 HydrophobicContact CB-CE2 4Å; V143-F145 HydrophobicContact CB-CZ 4.43Å; V143-F145 HydrophobicContact CG1-CD2 4.17Å; V143-F145 HydrophobicContact CG1-CE1 4.27Å; V143-F145 HydrophobicContact CG1-CE2 3.49Å; V143-F145 VanDerWaalsContact CG1-CE2 3.49Å; V143-F145 HydrophobicContact CG1-CZ 3.56Å; F145-A147 PolarHBondContact O-N 2.91Å; F145-A147 VanDerWaalsContact O-N 3.12Å; F145-V166 HydrophobicContact CD1-CG2 4.37Å; F145-V166 HydrophobicContact CD2-CG2 3.88Å; F145-V166 HydrophobicContact CE1-CG2 4.14Å; F145-V166 HydrophobicContact CE2-CG2 3.62Å; F145-V166 HydrophobicContact CG-CG2 4.24Å; F145-V166 HydrophobicContact CZ-CG2 3.76Å; F145-F183 HydrophobicContact CB-CZ 4.45Å; F145-R185 HydrophobicContact CD1-CB 3.98Å; F145-R185 HydrophobicContact CD1-CG 4.21Å; F145-R185 HydrophobicContact CE1-CB 3.81Å; F145-R185 HydrophobicContact CE1-CG 4.46Å
146	D	66.1	Low	71.9	Confident	119 Å²	119	61.4 Å²	61.4	64%	0.636	34%	0.336	S	S	*	.			trans	-70.8	107.6	169.5	-178.7	9.2	0	0	0	109.4	Q148	D146-Q148 WeakPolarHBondContact OD1-CB 3.29Å; D146-Q148 PolarHBondContact OD1-N 2.74Å
147	A	71.2	Confident	72.8	Confident	24 Å²	24	61 Å²	61	20%	0.198	34%	0.336	C	S	.	.			trans	-105.8	16.7	176.3	0	0	0	0	0	112.3	F145 G149 F150 I155 M202	F145-A147 PolarHBondContact O-N 2.91Å; F145-A147 VanDerWaalsContact O-N 3.12Å; A147-G149 PolarHBondContact O-N 3.3Å; A147-G149 VanDerWaalsContact O-N 3.1Å; A147-F150 PolarHBondContact O-N 3.45Å; A147-I155 HydrophobicContact CB-CD1 3.64Å; A147-M202 HydrophobicContact CB-CE 4.29Å
148	Q	73.5	Confident	74.6	Confident	153 Å²	153	61.1 Å²	61.1	72%	0.715	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	119.4	-172.6	-172.6	-176.6	26	0	0	111.9	D146 R181	D146-Q148 WeakPolarHBondContact OD1-CB 3.29Å; D146-Q148 PolarHBondContact OD1-N 2.74Å; Q148-R181 PolarHBondContact O-NH1 3.16Å
149	G	77.3	Confident	75.8	Confident	42 Å²	42	59.5 Å²	59.5	43%	0.433	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-6.3	177.7	0	0	0	0	0	115.2	A147 K170	A147-G149 PolarHBondContact O-N 3.3Å; A147-G149 VanDerWaalsContact O-N 3.1Å; G149-K170 WeakPolarHBondContact O-CD 3.31Å; G149-K170 PolarHBondContact O-NZ 3.13Å
150	F	81.6	Confident	76.9	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.066	33%	0.332	C	S	.	.			trans	-94.5	144.5	166.7	-62.9	-88.7	0	0	0	110	A147 D154 I155 A168 K170 R181 F183	A147-F150 PolarHBondContact O-N 3.45Å; F150-D154 HydrophobicContact CB-CB 4.2Å; F150-D154 HydrophobicContact CD1-CB 4.12Å; F150-I155 HydrophobicContact CB-CD1 4.13Å; F150-I155 HydrophobicContact CB-CG1 4.17Å; F150-A168 HydrophobicContact CB-CB 4.43Å; F150-A168 HydrophobicContact CD1-CB 3.65Å; F150-A168 HydrophobicContact CD2-CB 4.21Å; F150-A168 HydrophobicContact CE1-CB 3.8Å; F150-A168 WeakPolarHBondContact CE1-O 3.46Å; F150-A168 HydrophobicContact CE2-CB 4.34Å; F150-A168 HydrophobicContact CG-CB 3.85Å; F150-A168 HydrophobicContact CZ-CB 4.14Å; F150-K170 HydrophobicContact CD1-CB 3.78Å; F150-K170 HydrophobicContact CE1-CB 4.05Å; F150-R181 HydrophobicContact CE1-CB 4.41Å; F150-R181 HydrophobicContact CE1-CG 4.38Å; F150-R181 HydrophobicContact CE2-CG 4.47Å; F150-R181 HydrophobicContact CZ-CB 4.31Å; F150-R181 HydrophobicContact CZ-CG 3.8Å; F150-F183 HydrophobicContact CE2-CB 3.97Å; F150-F183 HydrophobicContact CZ-CB 3.75Å
151	A	83.9	Confident	77.5	Confident	25 Å²	25	68 Å²	68	21%	0.207	37%	0.368	C	S	.	.			trans	-90.1	161.8	170.2	0	0	0	0	0	110.4	Q153 D154	A151-Q153 VanDerWaalsContact C-N 3.26Å; A151-Q153 VanDerWaalsContact CB-NE2 3.35Å; A151-Q153 PolarHBondContact O-N 2.78Å; A151-D154 PolarHBondContact N-OD2 3.22Å; A151-D154 VanDerWaalsContact O-CB 3.28Å; A151-D154 WeakPolarHBondContact O-CB 3.37Å; A151-D154 PolarHBondContact O-N 2.83Å
152	P	84.1	Confident	77.6	Confident	81 Å²	81	70.7 Å²	70.7	53%	0.526	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39.9	-177.5	-26.1	33	0	0	0	114	D154 I155 M202	P152-D154 PolarHBondContact O-N 3.18Å; P152-I155 PolarHBondContact O-N 2.8Å; P152-I155 VanDerWaalsContact O-N 3.15Å; P152-M202 HydrophobicContact CB-SD 4.47Å; P152-M202 HydrophobicContact CG-CB 4.35Å; P152-M202 HydrophobicContact CG-CE 4.28Å; P152-M202 HydrophobicContact CG-SD 3.64Å
153	Q	87.9	Confident	77.7	Confident	154 Å²	154	73.2 Å²	73.2	72%	0.72	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-70.2	-15.5	177.8	70.8	-82	9.1	0	0	114.4	A151	A151-Q153 VanDerWaalsContact C-N 3.26Å; A151-Q153 VanDerWaalsContact CB-NE2 3.35Å; A151-Q153 PolarHBondContact O-N 2.78Å
154	D	87.9	Confident	78.1	Confident	35 Å²	35	71.8 Å²	71.8	19%	0.187	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-79.5	-10.5	174.2	-57.6	-26.5	0	0	0	110.9	F150 A151 P152 A168 K169 K170	F150-D154 HydrophobicContact CB-CB 4.2Å; F150-D154 HydrophobicContact CD1-CB 4.12Å; A151-D154 PolarHBondContact N-OD2 3.22Å; A151-D154 VanDerWaalsContact O-CB 3.28Å; A151-D154 WeakPolarHBondContact O-CB 3.37Å; A151-D154 PolarHBondContact O-N 2.83Å; P152-D154 PolarHBondContact O-N 3.18Å; D154-A168 CarbonylContact O-C 3.47Å; D154-A168 WeakPolarHBondContact O-CA 3.29Å; D154-K169 WeakPolarHBondContact CB-O 3.44Å; D154-K169 PolarHBondContact O-N 3.35Å; D154-K170 HydrophobicContact CB-CB 4.37Å; D154-K170 WeakPolarHBondContact OD2-CD 3.35Å
155	I	86.9	Confident	78.4	Confident	39 Å²	39	66.7 Å²	66.7	20%	0.2	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.6	-171.2	-45.7	-168.1	0	0	0	112	A147 F150 P152 V157 V166 H167 A168 M202	A147-I155 HydrophobicContact CB-CD1 3.64Å; F150-I155 HydrophobicContact CB-CD1 4.13Å; F150-I155 HydrophobicContact CB-CG1 4.17Å; P152-I155 PolarHBondContact O-N 2.8Å; P152-I155 VanDerWaalsContact O-N 3.15Å; I155-V157 HydrophobicContact CG2-CG2 4.14Å; I155-V166 HydrophobicContact CG2-CG1 3.86Å; I155-H167 CarbonylContact C-O 3.54Å; I155-H167 WeakPolarHBondContact CA-O 3.46Å; I155-A168 HydrophobicContact CB-CB 4.35Å; I155-A168 HydrophobicContact CD1-CB 4.27Å; I155-A168 HydrophobicContact CG1-CB 3.77Å; I155-A168 HydrophobicContact CG2-CB 4.3Å; I155-M202 HydrophobicContact CD1-CE 3.31Å; I155-M202 HydrophobicContact CG1-CE 4.14Å
156	N	88.9	Confident	78.9	Confident	91 Å²	91	63.8 Å²	63.8	49%	0.487	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.4	169.2	-173.5	15.3	0	0	0	109.7	H167	N156-H167 PolarHBondContact N-O 3.28Å; N156-H167 PolarHBondContact O-N 2.74Å
157	V	86.5	Confident	79.8	Confident	54 Å²	54	61 Å²	61	33%	0.327	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.8	175.2	-176.9	0	0	0	0	108.7	I155 V164 T165 V166 C200	I155-V157 HydrophobicContact CG2-CG2 4.14Å; V157-V164 HydrophobicContact CG1-CG1 3.73Å; V157-T165 WeakPolarHBondContact CA-O 3.35Å; V157-V166 HydrophobicContact CG1-CG2 4.22Å; V157-V166 HydrophobicContact CG2-CB 4.45Å; V157-V166 HydrophobicContact CG2-CG1 4.17Å; V157-V166 HydrophobicContact CG2-CG2 4.05Å; V157-C200 HydrophobicContact CB-CB 4.41Å; V157-C200 HydrophobicContact CG2-CB 4.23Å
158	T	86.3	Confident	80.3	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.38	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.2	-179.4	58.9	0	0	0	0	110.4	V164 T165	T158-V164 WeakPolarHBondContact O-CA 3.36Å; T158-T165 PolarHBondContact N-O 2.79Å; T158-T165 PolarHBondContact O-N 3.48Å
159	S	78.3	Confident	80.8	Confident	54 Å²	54	56.5 Å²	56.5	38%	0.378	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.9	167.1	69.8	0	0	0	0	110.8	R163 D195	S159-R163 CarbonylContact C-O 3.51Å; S159-R163 VanDerWaalsContact CA-O 3.28Å; S159-R163 WeakPolarHBondContact CA-O 3.47Å; S159-D195 WeakPolarHBondContact CB-OD2 3.43Å; S159-D195 PolarHBondContact OG-OD2 3.23Å
160	S	76	Confident	81	Confident	39 Å²	39	57.8 Å²	57.8	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	131.5	175	63	0	0	0	0	108.8	N162 R163	S160-N162 PolarHBondContact O-N 3.47Å; S160-R163 PolarHBondContact N-O 3.3Å; S160-R163 WeakPolarHBondContact O-CA 3.38Å; S160-R163 VanDerWaalsContact O-CB 3.32Å; S160-R163 WeakPolarHBondContact O-CB 3.09Å; S160-R163 PolarHBondContact O-N 3.46Å; S160-R163 PolarHBondContact OG-NH2 3.32Å
161	E	71.6	Confident	81	Confident	164 Å²	164	62.9 Å²	62.9	77%	0.766	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	51.1	165.2	-55.2	179.1	151.3	0	0	114.4	R163	E161-R163 PolarHBondContact O-N 3.35Å
162	N	68.6	Low	80.6	Confident	71 Å²	71	64.5 Å²	64.5	38%	0.38	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	30.1	-173.7	-53.1	-36.3	0	0	0	114.2	S160 Q188 L189	S160-N162 PolarHBondContact O-N 3.47Å; N162-Q188 CarbonylContact O-C 3.44Å; N162-Q188 WeakPolarHBondContact O-CA 3.28Å; N162-Q188 PolarHBondContact O-OE1 2.92Å; N162-Q188 VanDerWaalsContact O-OE1 3.14Å; N162-L189 WeakPolarHBondContact O-CB 3.23Å; N162-L189 PolarHBondContact O-N 2.69Å
163	R	69.2	Low	80.2	Confident	71 Å²	71	65.4 Å²	65.4	27%	0.268	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.2	175.5	-179.1	-176.7	62.5	-130.8	-12.4	110.3	S159 S160 E161 M186 M187	S159-R163 CarbonylContact C-O 3.51Å; S159-R163 VanDerWaalsContact CA-O 3.28Å; S159-R163 WeakPolarHBondContact CA-O 3.47Å; S160-R163 PolarHBondContact N-O 3.3Å; S160-R163 WeakPolarHBondContact O-CA 3.38Å; S160-R163 VanDerWaalsContact O-CB 3.32Å; S160-R163 WeakPolarHBondContact O-CB 3.09Å; S160-R163 PolarHBondContact O-N 3.46Å; S160-R163 PolarHBondContact OG-NH2 3.32Å; E161-R163 PolarHBondContact O-N 3.35Å; R163-M186 HydrophobicContact CG-CB 4.46Å; R163-M187 CarbonylContact C-O 3.22Å; R163-M187 VanDerWaalsContact CA-O 3.3Å; R163-M187 WeakPolarHBondContact CA-O 3.35Å; R163-M187 WeakPolarHBondContact CG-O 3.02Å
164	V	75.6	Confident	79.1	Confident	17 Å²	17	61.9 Å²	61.9	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.8	164.8	174.6	0	0	0	0	109.1	V157 T158 V166 M186 M187 L189 L198	V157-V164 HydrophobicContact CG1-CG1 3.73Å; T158-V164 WeakPolarHBondContact O-CA 3.36Å; V164-V166 HydrophobicContact CG1-CG2 4.15Å; V164-M186 WeakPolarHBondContact O-CA 3.39Å; V164-M187 PolarHBondContact N-O 3.01Å; V164-M187 PolarHBondContact O-N 3.18Å; V164-L189 HydrophobicContact CG2-CD1 3.91Å; V164-L189 HydrophobicContact CG2-CD2 3.69Å; V164-L189 HydrophobicContact CG2-CG 3.88Å; V164-L198 HydrophobicContact CG2-CD1 3.52Å
165	T	76	Confident	78	Confident	21 Å²	21	68.4 Å²	68.4	13%	0.129	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.2	169.7	-55.4	0	0	0	0	108.7	V157 T158 R185 M186	V157-T165 WeakPolarHBondContact CA-O 3.35Å; T158-T165 PolarHBondContact N-O 2.79Å; T158-T165 PolarHBondContact O-N 3.48Å; T165-R185 CarbonylContact C-O 3.58Å; T165-R185 WeakPolarHBondContact CA-O 3.41Å; T165-M186 HydrophobicContact CG2-CG 3.81Å; T165-M186 HydrophobicContact CG2-SD 4.47Å; T165-M186 WeakPolarHBondContact OG1-CG 3.06Å
166	V	80.5	Confident	76.8	Confident	9 Å²	9	68.4 Å²	68.4	6%	0.055	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.2	169.8	-178.8	0	0	0	0	107.5	F145 I155 V157 V164 F183 C184 R185	F145-V166 HydrophobicContact CD1-CG2 4.37Å; F145-V166 HydrophobicContact CD2-CG2 3.88Å; F145-V166 HydrophobicContact CE1-CG2 4.14Å; F145-V166 HydrophobicContact CE2-CG2 3.62Å; F145-V166 HydrophobicContact CG-CG2 4.24Å; F145-V166 HydrophobicContact CZ-CG2 3.76Å; I155-V166 HydrophobicContact CG2-CG1 3.86Å; V157-V166 HydrophobicContact CG1-CG2 4.22Å; V157-V166 HydrophobicContact CG2-CB 4.45Å; V157-V166 HydrophobicContact CG2-CG1 4.17Å; V157-V166 HydrophobicContact CG2-CG2 4.05Å; V164-V166 HydrophobicContact CG1-CG2 4.15Å; V166-F183 HydrophobicContact CG1-CE1 4Å; V166-C184 CarbonylContact O-C 3.57Å; V166-C184 WeakPolarHBondContact O-CA 3.38Å; V166-R185 PolarHBondContact N-O 3.17Å; V166-R185 PolarHBondContact O-N 3.28Å
167	H	84	Confident	75.6	Confident	61 Å²	61	65.1 Å²	65.1	28%	0.282	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.9	178.2	179.1	-118.2	0	0	0	109	I155 N156 E182 F183	I155-H167 CarbonylContact C-O 3.54Å; I155-H167 WeakPolarHBondContact CA-O 3.46Å; N156-H167 PolarHBondContact N-O 3.28Å; N156-H167 PolarHBondContact O-N 2.74Å; H167-E182 IonicContact CD2-OE1 2.71Å; H167-E182 IonicContact CE1-OE1 2.66Å; H167-E182 PolarHBondContact CE1-OE1 2.99Å; H167-E182 IonicContact NE2-OE1 3.45Å; H167-E182 PolarHBondContact NE2-OE1 3.31Å; H167-F183 CarbonylContact C-O 3.47Å; H167-F183 WeakPolarHBondContact CA-O 3.36Å
168	A	81.7	Confident	74.8	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.1	178.8	0	0	0	0	0	110.2	F150 D154 I155 E182 F183	F150-A168 HydrophobicContact CB-CB 4.43Å; F150-A168 HydrophobicContact CD1-CB 3.65Å; F150-A168 HydrophobicContact CD2-CB 4.21Å; F150-A168 HydrophobicContact CE1-CB 3.8Å; F150-A168 WeakPolarHBondContact CE1-O 3.46Å; F150-A168 HydrophobicContact CE2-CB 4.34Å; F150-A168 HydrophobicContact CG-CB 3.85Å; F150-A168 HydrophobicContact CZ-CB 4.14Å; D154-A168 CarbonylContact O-C 3.47Å; D154-A168 WeakPolarHBondContact O-CA 3.29Å; I155-A168 HydrophobicContact CB-CB 4.35Å; I155-A168 HydrophobicContact CD1-CB 4.27Å; I155-A168 HydrophobicContact CG1-CB 3.77Å; I155-A168 HydrophobicContact CG2-CB 4.3Å; A168-E182 CarbonylContact O-C 3.59Å; A168-E182 VanDerWaalsContact O-CA 3.28Å; A168-E182 WeakPolarHBondContact O-CA 3.41Å; A168-F183 HydrophobicContact CB-CB 4.25Å; A168-F183 HydrophobicContact CB-CD1 3.98Å; A168-F183 PolarHBondContact N-O 2.85Å; A168-F183 PolarHBondContact O-N 2.93Å
169	K	83.6	Confident	73.4	Confident	82 Å²	82	68.6 Å²	68.6	36%	0.357	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	120.9	-179.3	-170.7	-170.3	173.6	-152.1	0	111.3	D154 E171 R181 E182	D154-K169 WeakPolarHBondContact CB-O 3.44Å; D154-K169 PolarHBondContact O-N 3.35Å; K169-E171 VanDerWaalsContact CE-OE1 3.29Å; K169-E171 WeakPolarHBondContact CE-OE1 3.46Å; K169-E171 IonicContact NZ-OE1 3.14Å; K169-E171 PolarHBondContact NZ-OE1 3.4Å; K169-R181 WeakPolarHBondContact CA-O 2.93Å; K169-E182 HydrophobicContact CB-CG 4.26Å; K169-E182 HydrophobicContact CG-CB 4.38Å; K169-E182 HydrophobicContact CG-CG 4.2Å
170	K	82.1	Confident	73.2	Confident	69 Å²	69	67.6 Å²	67.6	30%	0.3	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124	-179.6	177.7	172.5	179.4	162.7	0	111.2	G149 F150 D154 S180 R181	G149-K170 WeakPolarHBondContact O-CD 3.31Å; G149-K170 PolarHBondContact O-NZ 3.13Å; F150-K170 HydrophobicContact CD1-CB 3.78Å; F150-K170 HydrophobicContact CE1-CB 4.05Å; D154-K170 HydrophobicContact CB-CB 4.37Å; D154-K170 WeakPolarHBondContact OD2-CD 3.35Å; K170-S180 CarbonylContact O-C 3.59Å; K170-S180 WeakPolarHBondContact O-CA 3.41Å; K170-R181 PolarHBondContact N-O 2.69Å; K170-R181 PolarHBondContact O-N 3.2Å
171	E	81.8	Confident	72.8	Confident	122 Å²	122	70.6 Å²	70.6	57%	0.57	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	122	171.6	-67.5	-174.8	-161.3	0	0	110.1	K169 C179	K169-E171 VanDerWaalsContact CE-OE1 3.29Å; K169-E171 WeakPolarHBondContact CE-OE1 3.46Å; K169-E171 IonicContact NZ-OE1 3.14Å; K169-E171 PolarHBondContact NZ-OE1 3.4Å; E171-C179 CarbonylContact C-O 3.58Å; E171-C179 WeakPolarHBondContact CA-O 3.36Å
172	T	75	Confident	73.1	Confident	59 Å²	59	65.9 Å²	65.9	36%	0.362	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.9	178.7	-53.4	0	0	0	0	109.2	T174 K178 C179	T172-T174 HydrophobicContact CG2-CG2 4.18Å; T172-K178 WeakPolarHBondContact O-CA 3.36Å; T172-C179 PolarHBondContact N-O 2.87Å; T172-C179 PolarHBondContact O-N 3.42Å
173	T	75.4	Confident	72.8	Confident	99 Å²	99	64.2 Å²	64.2	61%	0.607	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.3	170.7	-53.4	0	0	0	0	108.9	K178	T173-K178 HydrophobicContact CG2-CG 4.08Å
174	T	64.4	Low	73	Confident	81 Å²	81	62.6 Å²	62.6	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	167.1	170.7	65.7	0	0	0	0	109.2	T172 G176 G177	T172-T174 HydrophobicContact CG2-CG2 4.18Å; T174-G176 PolarHBondContact O-N 2.72Å; T174-G177 PolarHBondContact N-O 3.3Å; T174-G177 PolarHBondContact O-N 2.91Å; T174-G177 VanDerWaalsContact O-O 3.13Å; T174-G177 PolarHBondContact OG1-O 3.02Å
175	D	66.6	Low	72.4	Confident	172 Å²	172	65.3 Å²	65.3	92%	0.92	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24	177.8	-59.8	-24.7	0	0	0	113
176	G	60.4	Low	71.8	Confident	38 Å²	38	66.2 Å²	66.2	39%	0.392	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.9	175.7	0	0	0	0	0	115.6	T174 S433	T174-G176 PolarHBondContact O-N 2.72Å; G176-S433 WeakPolarHBondContact O-CB 3.34Å
177	G	64.7	Low	71	Confident	22 Å²	22	67.3 Å²	67.3	23%	0.227	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.9	-175.4	177.5	0	0	0	0	0	115.6	T174	T174-G177 PolarHBondContact N-O 3.3Å; T174-G177 PolarHBondContact O-N 2.91Å; T174-G177 VanDerWaalsContact O-O 3.13Å; T174-G177 PolarHBondContact OG1-O 3.02Å
178	K	68.3	Low	70	Confident	142 Å²	142	68.9 Å²	68.9	62%	0.617	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	122	174	-66.4	-167.9	173.3	-169.7	0	110.5	T172 T173	T172-K178 WeakPolarHBondContact O-CA 3.36Å; T173-K178 HydrophobicContact CG2-CG 4.08Å
179	C	58.6	Low	69.1	Low	47 Å²	47	69.3 Å²	69.3	32%	0.318	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.8	168.1	-173	0	0	0	0	109.4	E171 T172	E171-C179 CarbonylContact C-O 3.58Å; E171-C179 WeakPolarHBondContact CA-O 3.36Å; T172-C179 PolarHBondContact N-O 2.87Å; T172-C179 PolarHBondContact O-N 3.42Å
180	S	73.6	Confident	68	Low	33 Å²	33	65.7 Å²	65.7	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.6	169.7	-173.2	0	0	0	0	107.9	K170	K170-S180 CarbonylContact O-C 3.59Å; K170-S180 WeakPolarHBondContact O-CA 3.41Å
181	R	67.4	Low	67.1	Low	102 Å²	102	69.5 Å²	69.5	39%	0.385	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.7	169	-167.6	-176	-178.8	-161.8	-3.6	107.9	Q148 F150 K169 K170 F436	Q148-R181 PolarHBondContact O-NH1 3.16Å; F150-R181 HydrophobicContact CE1-CB 4.41Å; F150-R181 HydrophobicContact CE1-CG 4.38Å; F150-R181 HydrophobicContact CE2-CG 4.47Å; F150-R181 HydrophobicContact CZ-CB 4.31Å; F150-R181 HydrophobicContact CZ-CG 3.8Å; K169-R181 WeakPolarHBondContact CA-O 2.93Å; K170-R181 PolarHBondContact N-O 2.69Å; K170-R181 PolarHBondContact O-N 3.2Å; R181-F436 HydrophobicContact CG-CE2 4.5Å; R181-F436 HydrophobicContact CG-CZ 4.31Å
182	E	77.2	Confident	66.4	Low	66 Å²	66	66.6 Å²	66.6	31%	0.308	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.2	-177.4	-168.6	162.2	-165.7	0	0	109.3	H167 A168 K169	H167-E182 IonicContact CD2-OE1 2.71Å; H167-E182 IonicContact CE1-OE1 2.66Å; H167-E182 PolarHBondContact CE1-OE1 2.99Å; H167-E182 IonicContact NE2-OE1 3.45Å; H167-E182 PolarHBondContact NE2-OE1 3.31Å; A168-E182 CarbonylContact O-C 3.59Å; A168-E182 VanDerWaalsContact O-CA 3.28Å; A168-E182 WeakPolarHBondContact O-CA 3.41Å; K169-E182 HydrophobicContact CB-CG 4.26Å; K169-E182 HydrophobicContact CG-CB 4.38Å; K169-E182 HydrophobicContact CG-CG 4.2Å
183	F	63.1	Low	66.1	Low	36 Å²	36	64.5 Å²	64.5	16%	0.158	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	132.9	-176.7	162.6	-89.4	0	0	0	107.5	F145 F150 V166 H167 A168 R185	F145-F183 HydrophobicContact CB-CZ 4.45Å; F150-F183 HydrophobicContact CE2-CB 3.97Å; F150-F183 HydrophobicContact CZ-CB 3.75Å; V166-F183 HydrophobicContact CG1-CE1 4Å; H167-F183 CarbonylContact C-O 3.47Å; H167-F183 WeakPolarHBondContact CA-O 3.36Å; A168-F183 HydrophobicContact CB-CB 4.25Å; A168-F183 HydrophobicContact CB-CD1 3.98Å; A168-F183 PolarHBondContact N-O 2.85Å; A168-F183 PolarHBondContact O-N 2.93Å; F183-R185 HydrophobicContact CD1-CG 4.48Å; F183-R185 HydrophobicContact CD2-CG 4.31Å; F183-R185 HydrophobicContact CE1-CB 4.26Å; F183-R185 HydrophobicContact CE1-CG 3.72Å; F183-R185 HydrophobicContact CE2-CG 3.52Å; F183-R185 HydrophobicContact CZ-CB 4.15Å; F183-R185 HydrophobicContact CZ-CG 3.2Å
184	C	73.3	Confident	66	Low	36 Å²	36	63.9 Å²	63.9	24%	0.243	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.7	172	-168.1	0	0	0	0	108.3	V166	V166-C184 CarbonylContact O-C 3.57Å; V166-C184 WeakPolarHBondContact O-CA 3.38Å
185	R	63	Low	66.5	Low	74 Å²	74	62.6 Å²	62.6	28%	0.279	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.6	172.1	-69.2	-65.6	-176.5	-176.7	-5.4	109.4	F145 T165 V166 F183 S440	F145-R185 HydrophobicContact CD1-CB 3.98Å; F145-R185 HydrophobicContact CD1-CG 4.21Å; F145-R185 HydrophobicContact CE1-CB 3.81Å; F145-R185 HydrophobicContact CE1-CG 4.46Å; T165-R185 CarbonylContact C-O 3.58Å; T165-R185 WeakPolarHBondContact CA-O 3.41Å; V166-R185 PolarHBondContact N-O 3.17Å; V166-R185 PolarHBondContact O-N 3.28Å; F183-R185 HydrophobicContact CD1-CG 4.48Å; F183-R185 HydrophobicContact CD2-CG 4.31Å; F183-R185 HydrophobicContact CE1-CB 4.26Å; F183-R185 HydrophobicContact CE1-CG 3.72Å; F183-R185 HydrophobicContact CE2-CG 3.52Å; F183-R185 HydrophobicContact CZ-CB 4.15Å; F183-R185 HydrophobicContact CZ-CG 3.2Å; R185-S440 VanDerWaalsContact CZ-CB 3.49Å; R185-S440 PolarHBondContact NH1-O 2.87Å; R185-S440 PolarHBondContact NH1-OG 2.61Å; R185-S440 PolarHBondContact NH2-OG 2.56Å
186	M	63.5	Low	67	Low	41 Å²	41	58.4 Å²	58.4	20%	0.202	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.8	173.6	-75.7	-177.2	-83.8	0	0	109.7	R163 V164 T165 Q441	R163-M186 HydrophobicContact CG-CB 4.46Å; V164-M186 WeakPolarHBondContact O-CA 3.39Å; T165-M186 HydrophobicContact CG2-CG 3.81Å; T165-M186 HydrophobicContact CG2-SD 4.47Å; T165-M186 WeakPolarHBondContact OG1-CG 3.06Å; M186-Q441 HydrophobicContact CE-CG 3.95Å
187	M	63	Low	67.8	Low	32 Å²	32	61.3 Å²	61.3	16%	0.158	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	175.9	176	171.6	-69.4	0	0	109	F126 F141 V143 R163 V164	F126-M187 HydrophobicContact CZ-CE 4.23Å; F141-M187 HydrophobicContact CE1-SD 4.46Å; F141-M187 HydrophobicContact CZ-SD 4.19Å; V143-M187 HydrophobicContact CB-SD 4.33Å; V143-M187 HydrophobicContact CG1-CE 3.55Å; V143-M187 HydrophobicContact CG1-SD 3.8Å; V143-M187 HydrophobicContact CG2-CE 4.34Å; V143-M187 HydrophobicContact CG2-SD 3.61Å; R163-M187 CarbonylContact C-O 3.22Å; R163-M187 VanDerWaalsContact CA-O 3.3Å; R163-M187 WeakPolarHBondContact CA-O 3.35Å; R163-M187 WeakPolarHBondContact CG-O 3.02Å; V164-M187 PolarHBondContact N-O 3.01Å; V164-M187 PolarHBondContact O-N 3.18Å
188	Q	62.8	Low	68.4	Low	94 Å²	94	63.2 Å²	63.2	44%	0.439	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.1	165.3	-63.7	-65.9	-20.7	0	0	108.4	N162	N162-Q188 CarbonylContact O-C 3.44Å; N162-Q188 WeakPolarHBondContact O-CA 3.28Å; N162-Q188 PolarHBondContact O-OE1 2.92Å; N162-Q188 VanDerWaalsContact O-OE1 3.14Å
189	L	63.3	Low	68.8	Low	9 Å²	9	61.8 Å²	61.8	5%	0.047	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-75.6	140.9	168.6	-65.5	172	0	0	0	108.9	F141 N162 V164 K191 I193 D195 L198	F141-L189 HydrophobicContact CE1-CD2 4.12Å; N162-L189 WeakPolarHBondContact O-CB 3.23Å; N162-L189 PolarHBondContact O-N 2.69Å; V164-L189 HydrophobicContact CG2-CD1 3.91Å; V164-L189 HydrophobicContact CG2-CD2 3.69Å; V164-L189 HydrophobicContact CG2-CG 3.88Å; L189-K191 PolarHBondContact O-N 2.75Å; L189-I193 HydrophobicContact CB-CB 4.46Å; L189-I193 HydrophobicContact CD2-CG2 4.27Å; L189-D195 HydrophobicContact CD1-CB 3.7Å; L189-L198 HydrophobicContact CD1-CD1 3.84Å; L189-L198 HydrophobicContact CD2-CD1 4.31Å; L189-L198 HydrophobicContact CD2-CD2 4.47Å
190	P	60.9	Low	69.7	Low	5 Å²	5	63.9 Å²	63.9	3%	0.032	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-53.7	136.9	161	-19.4	30	0	0	0	109.6	Y131 F141 S192 I193	Y131-P190 WeakPolarHBondContact OH-CG 3.41Å; F141-P190 HydrophobicContact CE2-CG 4.34Å; F141-P190 HydrophobicContact CZ-CG 4.37Å; P190-S192 PolarHBondContact O-N 2.93Å; P190-I193 HydrophobicContact CB-CG1 4.16Å; P190-I193 HydrophobicContact CG-CG1 4.12Å; P190-I193 WeakPolarHBondContact O-CB 3.17Å; P190-I193 PolarHBondContact O-N 3.49Å
191	K	63.3	Low	69.8	Low	150 Å²	150	69.4 Å²	69.4	65%	0.652	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.1	-179.6	-63.7	177.7	-174.9	153.1	0	114.7	G113 L189	G113-K191 WeakPolarHBondContact O-CD 3.29Å; G113-K191 WeakPolarHBondContact O-CE 3.48Å; G113-K191 PolarHBondContact O-NZ 3.41Å; L189-K191 PolarHBondContact O-N 2.75Å
192	S	66.3	Low	70	Confident	61 Å²	61	68.5 Å²	68.5	43%	0.427	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-17	177.9	57.5	0	0	0	0	113.1	P190 D194 L214	P190-S192 PolarHBondContact O-N 2.93Å; S192-D194 PolarHBondContact O-N 2.96Å; S192-L214 WeakPolarHBondContact OG-CD1 3.44Å
193	I	68.6	Low	69.2	Low	15 Å²	15	68.6 Å²	68.6	8%	0.077	35%	0.349	C	S	.	.	S	Bend	trans	-81.7	116.5	177	-56.4	-55.5	0	0	0	109.9	F141 L189 P190 D195 L198 L214	F141-I193 HydrophobicContact CB-CD1 3.57Å; F141-I193 HydrophobicContact CB-CG1 4.29Å; F141-I193 HydrophobicContact CD1-CD1 4.37Å; F141-I193 HydrophobicContact CD1-CG1 4.16Å; F141-I193 HydrophobicContact CG-CD1 4.05Å; F141-I193 HydrophobicContact CG-CG1 4.28Å; L189-I193 HydrophobicContact CB-CB 4.46Å; L189-I193 HydrophobicContact CD2-CG2 4.27Å; P190-I193 HydrophobicContact CB-CG1 4.16Å; P190-I193 HydrophobicContact CG-CG1 4.12Å; P190-I193 WeakPolarHBondContact O-CB 3.17Å; P190-I193 PolarHBondContact O-N 3.49Å; I193-D195 PolarHBondContact O-N 2.86Å; I193-L198 HydrophobicContact CG2-CD2 4.13Å; I193-L214 HydrophobicContact CD1-CD1 4.12Å
194	D	73.1	Confident	69	Low	85 Å²	85	73 Å²	73	46%	0.455	37%	0.374	S	S	.	.			trans	-68.9	108.4	165.5	178.4	-0.5	0	0	0	109.3	S192 S196 Q197	S192-D194 PolarHBondContact O-N 2.96Å; D194-S196 PolarHBondContact O-N 3.46Å; D194-S196 VanDerWaalsContact OD1-CB 3.24Å; D194-S196 WeakPolarHBondContact OD1-CB 3.4Å; D194-S196 PolarHBondContact OD1-N 2.91Å; D194-S196 PolarHBondContact OD1-OG 2.84Å; D194-S196 PolarHBondContact OD2-OG 2.83Å; D194-S196 VanDerWaalsContact OD2-OG 3.11Å; D194-Q197 HydrophobicContact CB-CG 4.08Å; D194-Q197 PolarHBondContact O-N 2.9Å; D194-Q197 VanDerWaalsContact O-N 3.13Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.45Å
195	D	75.8	Confident	67.7	Low	55 Å²	55	77.2 Å²	77.2	29%	0.294	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.5	-176.4	79.7	-37.3	0	0	0	112.8	S159 L189 I193 Q197 L198	S159-D195 WeakPolarHBondContact CB-OD2 3.43Å; S159-D195 PolarHBondContact OG-OD2 3.23Å; L189-D195 HydrophobicContact CD1-CB 3.7Å; I193-D195 PolarHBondContact O-N 2.86Å; D195-Q197 PolarHBondContact O-N 2.92Å; D195-L198 HydrophobicContact CB-CD1 3.88Å; D195-L198 WeakPolarHBondContact O-CB 3.39Å; D195-L198 WeakPolarHBondContact O-CG 3.28Å; D195-L198 PolarHBondContact O-N 3.25Å
196	S	76.5	Confident	66.4	Low	83 Å²	83	81.6 Å²	81.6	58%	0.58	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.6	172.8	79.8	0	0	0	0	113.7	D194	D194-S196 PolarHBondContact O-N 3.46Å; D194-S196 VanDerWaalsContact OD1-CB 3.24Å; D194-S196 WeakPolarHBondContact OD1-CB 3.4Å; D194-S196 PolarHBondContact OD1-N 2.91Å; D194-S196 PolarHBondContact OD1-OG 2.84Å; D194-S196 PolarHBondContact OD2-OG 2.83Å; D194-S196 VanDerWaalsContact OD2-OG 3.11Å
197	Q	77.2	Confident	65	Low	100 Å²	100	85.3 Å²	85.3	47%	0.467	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-92.2	-4.3	177.5	-57.2	-55.3	-45.2	0	0	113.5	D194 D195	D194-Q197 HydrophobicContact CB-CG 4.08Å; D194-Q197 PolarHBondContact O-N 2.9Å; D194-Q197 VanDerWaalsContact O-N 3.13Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.45Å; D195-Q197 PolarHBondContact O-N 2.92Å
198	L	77.4	Confident	63.5	Low	62 Å²	62	86.7 Å²	86.7	33%	0.325	46%	0.46	S	S	.	.			trans	-64.5	135.6	-177.5	-70.3	172.1	0	0	0	111.7	V164 L189 I193 D195	V164-L198 HydrophobicContact CG2-CD1 3.52Å; L189-L198 HydrophobicContact CD1-CD1 3.84Å; L189-L198 HydrophobicContact CD2-CD1 4.31Å; L189-L198 HydrophobicContact CD2-CD2 4.47Å; I193-L198 HydrophobicContact CG2-CD2 4.13Å; D195-L198 HydrophobicContact CB-CD1 3.88Å; D195-L198 WeakPolarHBondContact O-CB 3.39Å; D195-L198 WeakPolarHBondContact O-CG 3.28Å; D195-L198 PolarHBondContact O-N 3.25Å
199	K	77.5	Confident	61.9	Low	111 Å²	111	86.5 Å²	86.5	48%	0.483	46%	0.458	S	S	.	.			trans	-127.8	120.3	177.4	-65.3	175.7	-171.9	174.7	0	108.5	H211	K199-H211 HydrophobicContact CD-CB 4.33Å; K199-H211 PolarHBondContact NZ-CD2 2.93Å; K199-H211 VanDerWaalsContact NZ-CD2 3.34Å
200	C	77.1	Confident	60.6	Low	92 Å²	92	87.4 Å²	87.4	62%	0.622	46%	0.464	S	S	*	.			trans	-92.4	139.6	170.4	-173.3	0	0	0	0	109.9	V157	V157-C200 HydrophobicContact CB-CB 4.41Å; V157-C200 HydrophobicContact CG2-CB 4.23Å
201	R	74.6	Confident	59.2	Low	149 Å²	149	90 Å²	90	56%	0.562	48%	0.475	S	S	*	.			trans	-141.5	134.3	170.1	-68.1	-179.3	174.5	163.3	-7.5	108.4	F209 T210	R201-F209 PolarHBondContact NH1-O 3.31Å; R201-T210 PolarHBondContact NH1-OG1 2.81Å; R201-T210 VanDerWaalsContact NH1-OG1 3.09Å
202	M	72.2	Confident	57.7	Low	83 Å²	83	83.4 Å²	83.4	41%	0.409	45%	0.451	S	S	.	.			trans	-82	140.3	161.5	-174.7	174.3	-73.4	0	0	108	A147 P152 I155	A147-M202 HydrophobicContact CB-CE 4.29Å; P152-M202 HydrophobicContact CB-SD 4.47Å; P152-M202 HydrophobicContact CG-CB 4.35Å; P152-M202 HydrophobicContact CG-CE 4.28Å; P152-M202 HydrophobicContact CG-SD 3.64Å; I155-M202 HydrophobicContact CD1-CE 3.31Å; I155-M202 HydrophobicContact CG1-CE 4.14Å
203	T	61.8	Low	56.1	Low	67 Å²	67	85.3 Å²	85.3	41%	0.411	46%	0.455	S	S	.	.			trans	-134	147.9	-179.9	53.6	0	0	0	0	109.3	D207	T203-D207 WeakPolarHBondContact CB-O 3.13Å; T203-D207 WeakPolarHBondContact CG2-O 3.04Å; T203-D207 PolarHBondContact OG1-O 2.71Å
204	D	58.1	Low	54.4	Low	129 Å²	129	88.4 Å²	88.4	69%	0.69	47%	0.471	S	S	*	.			trans	-62.8	160.3	159.9	-86.2	-47.3	0	0	0	109.4	L206 D207	D204-L206 PolarHBondContact O-N 3.14Å; D204-D207 PolarHBondContact O-N 3.39Å
205	P	46.4	Very low	52.9	Low	125 Å²	125	92.9 Å²	92.9	81%	0.812	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	9.1	-174.5	-25.3	35.8	0	0	0	117.1
206	L	35.2	Very low	51.1	Low	165 Å²	165	96.2 Å²	96.2	86%	0.864	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-1.9	-170.6	-66.5	171.2	0	0	0	114.8	D204	D204-L206 PolarHBondContact O-N 3.14Å
207	D	34	Very low	49.1	Very low	119 Å²	119	94.9 Å²	94.9	64%	0.636	50%	0.497	S	S	*	.			trans	-129.9	144.6	178.7	-84.6	-46.4	0	0	0	111.7	T203 D204	T203-D207 WeakPolarHBondContact CB-O 3.13Å; T203-D207 WeakPolarHBondContact CG2-O 3.04Å; T203-D207 PolarHBondContact OG1-O 2.71Å; D204-D207 PolarHBondContact O-N 3.39Å
208	T	31.2	Very low	47	Very low	62 Å²	62	92.2 Å²	92.2	38%	0.38	48%	0.483	S	S	.	.			trans	-159.6	130	173.1	-43.9	0	0	0	0	114.7
209	F	30.5	Very low	45.3	Very low	90 Å²	90	92.6 Å²	92.6	40%	0.395	50%	0.495	S	S	.	.			trans	-155.5	146.2	176.4	-105.9	-67.8	0	0	0	118.4	E135 R201	E135-F209 HydrophobicContact CB-CE1 4.5Å; E135-F209 VanDerWaalsContact CD-CZ 3.4Å; E135-F209 HydrophobicContact CG-CE1 3.62Å; E135-F209 HydrophobicContact CG-CZ 3.63Å; E135-F209 VanDerWaalsContact OE1-CZ 3.23Å; E135-F209 WeakPolarHBondContact OE1-CZ 3.5Å; R201-F209 PolarHBondContact NH1-O 3.31Å
210	T	34.5	Very low	43.5	Very low	28 Å²	28	90.2 Å²	90.2	17%	0.172	49%	0.488	C	S	.	.			trans	76.2	156.3	170.8	64.7	0	0	0	0	117.9	R201	R201-T210 PolarHBondContact NH1-OG1 2.81Å; R201-T210 VanDerWaalsContact NH1-OG1 3.09Å
211	H	32.6	Very low	41.4	Very low	58 Å²	58	90.1 Å²	90.1	27%	0.269	48%	0.479	S	S	.	.			cis	-162.8	164.3	-7.6	-116.1	-47.9	0	0	0	111.2	H140 K199	H140-H211 AromaticContact CD2-ND1 3.91Å; H140-H211 AromaticContact CE1-CE1 3.81Å; H140-H211 AromaticContact CE1-CG 3.97Å; H140-H211 AromaticContact CE1-ND1 3.17Å; H140-H211 PolarHBondContact CE1-ND1 3.4Å; H140-H211 AromaticContact NE2-CE1 3.72Å; H140-H211 AromaticContact NE2-CG 3.96Å; H140-H211 AromaticContact NE2-ND1 2.95Å; H140-H211 PolarHBondContact NE2-ND1 3.14Å; K199-H211 HydrophobicContact CD-CB 4.33Å; K199-H211 PolarHBondContact NZ-CD2 2.93Å; K199-H211 VanDerWaalsContact NZ-CD2 3.34Å
212	G	31.9	Very low	39.9	Very low	13 Å²	13	88.3 Å²	88.3	13%	0.134	48%	0.477	C	S	.	.			trans	139.1	123.7	160.5	0	0	0	0	0	115.6	H140	H140-G212 VanDerWaalsContact CA-O 3.25Å; H140-G212 WeakPolarHBondContact CA-O 3.37Å; H140-G212 PolarHBondContact CD2-N 3.05Å; H140-G212 VanDerWaalsContact CD2-N 3.28Å
213	I	33	Very low	38.6	Very low	100 Å²	100	89.8 Å²	89.8	51%	0.513	48%	0.483	S	S	.	.	B	Isolated β-bridge	trans	-102.9	141.6	-151.6	-56.7	168.4	0	0	0	115.3	K138	K138-I213 HydrophobicContact CB-CG1 4.37Å; K138-I213 HydrophobicContact CB-CG2 4.4Å; K138-I213 HydrophobicContact CD-CB 4.32Å; K138-I213 HydrophobicContact CD-CD1 3.52Å; K138-I213 HydrophobicContact CD-CG1 3.66Å; K138-I213 HydrophobicContact CD-CG2 3.7Å
214	L	31.7	Very low	37.6	Very low	80 Å²	80	89.1 Å²	89.1	42%	0.419	48%	0.476	S	S	.	.			trans	-149	160	163.1	-97.9	122.4	0	0	0	115.8	S192 I193	S192-L214 WeakPolarHBondContact OG-CD1 3.44Å; I193-L214 HydrophobicContact CD1-CD1 4.12Å
215	E	41.3	Very low	36.9	Very low	179 Å²	179	85.5 Å²	85.5	84%	0.836	46%	0.456	S	S	*	.			trans	-74.3	171.1	172.1	-62.2	-173.2	146.1	0	0	112.8	P217	E215-P217 WeakPolarHBondContact O-CD 3.43Å
216	N	38.7	Very low	37	Very low	125 Å²	125	87.4 Å²	87.4	67%	0.668	45%	0.447	S	S	*	.			trans	-93	100	-147.1	179.4	-1.8	0	0	0	117.7	F218	N216-F218 WeakPolarHBondContact OD1-CA 3.32Å; N216-F218 VanDerWaalsContact OD1-CB 3.29Å; N216-F218 WeakPolarHBondContact OD1-CB 3.29Å; N216-F218 WeakPolarHBondContact OD1-CD2 3.35Å; N216-F218 PolarHBondContact OD1-N 3.3Å
217	P	34.3	Very low	37.7	Very low	56 Å²	56	84.7 Å²	84.7	36%	0.364	43%	0.43	S	S	.	.			trans	-85.4	0.5	163.2	34.4	-40.4	0	0	0	114.9	E215 A219 M221	E215-P217 WeakPolarHBondContact O-CD 3.43Å; P217-A219 VanDerWaalsContact C-N 3.33Å; P217-A219 PolarHBondContact O-N 2.96Å; P217-M221 HydrophobicContact CG-CE 4.31Å
218	F	33.9	Very low	38.3	Very low	43 Å²	43	82.4 Å²	82.4	19%	0.189	42%	0.417	C	S	.	.	H	α-helix	trans	-71.7	-22.4	-166.8	-62.1	-85.8	0	0	0	114.1	V139 N216 L220 M221 H222	V139-F218 HydrophobicContact CB-CE2 4.23Å; V139-F218 HydrophobicContact CB-CZ 4.13Å; V139-F218 HydrophobicContact CG1-CE2 4.28Å; V139-F218 HydrophobicContact CG1-CZ 3.72Å; V139-F218 HydrophobicContact CG2-CD2 4.28Å; V139-F218 HydrophobicContact CG2-CE1 4.29Å; V139-F218 HydrophobicContact CG2-CE2 3.52Å; V139-F218 HydrophobicContact CG2-CZ 3.57Å; N216-F218 WeakPolarHBondContact OD1-CA 3.32Å; N216-F218 VanDerWaalsContact OD1-CB 3.29Å; N216-F218 WeakPolarHBondContact OD1-CB 3.29Å; N216-F218 WeakPolarHBondContact OD1-CD2 3.35Å; N216-F218 PolarHBondContact OD1-N 3.3Å; F218-L220 VanDerWaalsContact C-N 3.31Å; F218-L220 PolarHBondContact O-N 2.77Å; F218-M221 HydrophobicContact CD1-CE 3.58Å; F218-M221 HydrophobicContact CE1-CE 3.58Å; F218-M221 HydrophobicContact CG-CE 4.21Å; F218-M221 HydrophobicContact CZ-CE 4.2Å; F218-M221 PolarHBondContact O-N 3.09Å; F218-H222 WeakPolarHBondContact O-CB 3.33Å; F218-H222 PolarHBondContact O-CD2 3.45Å; F218-H222 PolarHBondContact O-N 2.92Å
219	A	41.8	Very low	38.9	Very low	70 Å²	70	84.3 Å²	84.3	58%	0.579	42%	0.422	S	S	*	.	H	α-helix	trans	-56.8	-41.6	-179.2	0	0	0	0	0	113.1	P217 Q223	P217-A219 VanDerWaalsContact C-N 3.33Å; P217-A219 PolarHBondContact O-N 2.96Å; A219-Q223 PolarHBondContact O-N 2.91Å; A219-Q223 VanDerWaalsContact O-N 3.15Å
220	L	38.3	Very low	40	Very low	61 Å²	61	82.6 Å²	82.6	32%	0.319	42%	0.416	S	S	.	.	H	α-helix	trans	-77.3	-38.9	179.7	-171.5	65.6	0	0	0	111.8	I108 F218 Q223 M224	I108-L220 HydrophobicContact CD1-CD2 3.6Å; F218-L220 VanDerWaalsContact C-N 3.31Å; F218-L220 PolarHBondContact O-N 2.77Å; L220-Q223 WeakPolarHBondContact O-CA 3.42Å; L220-Q223 WeakPolarHBondContact O-CB 3.45Å; L220-Q223 PolarHBondContact O-N 3.21Å; L220-Q223 VanDerWaalsContact O-N 3.08Å; L220-M224 WeakPolarHBondContact O-CG 3.29Å; L220-M224 PolarHBondContact O-N 3.04Å
221	M	33.8	Very low	40.6	Very low	90 Å²	90	83.6 Å²	83.6	44%	0.443	42%	0.42	S	S	.	.	H	α-helix	trans	-63.8	-41.3	174.7	-67.9	-171.9	-69	0	0	111.6	P217 F218 Q223 M224 D225	P217-M221 HydrophobicContact CG-CE 4.31Å; F218-M221 HydrophobicContact CD1-CE 3.58Å; F218-M221 HydrophobicContact CE1-CE 3.58Å; F218-M221 HydrophobicContact CG-CE 4.21Å; F218-M221 HydrophobicContact CZ-CE 4.2Å; F218-M221 PolarHBondContact O-N 3.09Å; M221-Q223 VanDerWaalsContact C-N 3.26Å; M221-Q223 PolarHBondContact O-N 3.45Å; M221-M224 PolarHBondContact O-N 3.13Å; M221-D225 WeakPolarHBondContact O-CB 3.39Å; M221-D225 PolarHBondContact O-N 3.45Å
222	H	43.2	Very low	41.2	Very low	111 Å²	111	86.6 Å²	86.6	51%	0.514	43%	0.429	S	S	.	.	H	α-helix	trans	-66.6	-23	171.5	-73.3	-50.4	0	0	0	113.6	F218 R226	F218-H222 WeakPolarHBondContact O-CB 3.33Å; F218-H222 PolarHBondContact O-CD2 3.45Å; F218-H222 PolarHBondContact O-N 2.92Å; H222-R226 VanDerWaalsContact O-CB 3.32Å; H222-R226 WeakPolarHBondContact O-CB 3.48Å; H222-R226 WeakPolarHBondContact O-CG 3.45Å; H222-R226 PolarHBondContact O-N 3.35Å; H222-R226 PolarHBondContact O-NE 3.33Å
223	Q	44.6	Very low	42	Very low	115 Å²	115	92.5 Å²	92.5	54%	0.537	45%	0.453	S	S	.	.	H	α-helix	trans	-74.7	-41.7	169.8	-176.1	177.1	-30.7	0	0	111.2	A219 L220 M221 H227	A219-Q223 PolarHBondContact O-N 2.91Å; A219-Q223 VanDerWaalsContact O-N 3.15Å; L220-Q223 WeakPolarHBondContact O-CA 3.42Å; L220-Q223 WeakPolarHBondContact O-CB 3.45Å; L220-Q223 PolarHBondContact O-N 3.21Å; L220-Q223 VanDerWaalsContact O-N 3.08Å; M221-Q223 VanDerWaalsContact C-N 3.26Å; M221-Q223 PolarHBondContact O-N 3.45Å; Q223-H227 PolarHBondContact O-N 3.46Å; Q223-H227 VanDerWaalsContact O-N 3.08Å
224	M	41.3	Very low	42.7	Very low	53 Å²	53	96.1 Å²	96.1	26%	0.261	46%	0.461	S	S	.	.	H	α-helix	trans	-68.7	-44.8	176.6	-67.4	178.9	70.2	0	0	112.3	M101 T120 L220 M221 R226 H227 I228	M101-M224 HydrophobicContact CE-CE 4.41Å; T120-M224 HydrophobicContact CG2-CE 4.18Å; L220-M224 WeakPolarHBondContact O-CG 3.29Å; L220-M224 PolarHBondContact O-N 3.04Å; M221-M224 PolarHBondContact O-N 3.13Å; M224-R226 VanDerWaalsContact C-N 3.35Å; M224-R226 PolarHBondContact O-N 3.45Å; M224-H227 PolarHBondContact O-N 2.81Å; M224-I228 WeakPolarHBondContact O-CG1 3.41Å; M224-I228 PolarHBondContact O-N 3.47Å
225	D	43.3	Very low	43.2	Very low	52 Å²	52	95 Å²	95	28%	0.278	45%	0.454	S	S	.	.	H	α-helix	trans	-60.1	-42.7	174.9	-83.7	-16.1	0	0	0	111.3	K128 M221 H227 I228 Q229	K128-D225 IonicContact NZ-OD1 3.57Å; K128-D225 PolarHBondContact NZ-OD1 2.68Å; K128-D225 IonicContact NZ-OD2 3.84Å; K128-D225 PolarHBondContact NZ-OD2 3.33Å; M221-D225 WeakPolarHBondContact O-CB 3.39Å; M221-D225 PolarHBondContact O-N 3.45Å; D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 2.95Å; D225-I228 PolarHBondContact O-N 2.79Å; D225-Q229 WeakPolarHBondContact O-CB 3.43Å; D225-Q229 PolarHBondContact O-N 3.47Å
226	R	48.6	Very low	43.1	Very low	166 Å²	166	90 Å²	90	63%	0.626	45%	0.451	S	S	*	.	H	α-helix	trans	-61.7	-36.5	172.8	-80.3	-177.1	-63.1	158.3	1.4	112.6	H222 M224 Q229 D230	H222-R226 VanDerWaalsContact O-CB 3.32Å; H222-R226 WeakPolarHBondContact O-CB 3.48Å; H222-R226 WeakPolarHBondContact O-CG 3.45Å; H222-R226 PolarHBondContact O-N 3.35Å; H222-R226 PolarHBondContact O-NE 3.33Å; M224-R226 VanDerWaalsContact C-N 3.35Å; M224-R226 PolarHBondContact O-N 3.45Å; R226-Q229 PolarHBondContact O-N 3.39Å; R226-D230 VanDerWaalsContact O-CB 3.29Å; R226-D230 WeakPolarHBondContact O-CB 3.02Å; R226-D230 PolarHBondContact O-N 2.78Å
227	H	49.1	Very low	43.1	Very low	108 Å²	108	86.9 Å²	86.9	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-72.6	-40.8	178.6	-159.1	-164.3	0	0	0	111.7	Q223 M224 D225 Q229 D230 I231	Q223-H227 PolarHBondContact O-N 3.46Å; Q223-H227 VanDerWaalsContact O-N 3.08Å; M224-H227 PolarHBondContact O-N 2.81Å; D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 2.95Å; H227-Q229 VanDerWaalsContact C-N 3.29Å; H227-Q229 PolarHBondContact O-N 3.41Å; H227-D230 PolarHBondContact O-N 3.42Å; H227-I231 WeakPolarHBondContact O-CD1 3.35Å; H227-I231 VanDerWaalsContact O-CG1 3.25Å; H227-I231 WeakPolarHBondContact O-CG1 3.41Å; H227-I231 PolarHBondContact O-N 2.83Å
228	I	46.2	Very low	43.2	Very low	71 Å²	71	91.6 Å²	91.6	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-63.9	-37	172.4	-67.4	167	0	0	0	110.7	M224 D225 I231 R232	M224-I228 WeakPolarHBondContact O-CG1 3.41Å; M224-I228 PolarHBondContact O-N 3.47Å; D225-I228 PolarHBondContact O-N 2.79Å; I228-I231 WeakPolarHBondContact O-CB 3.39Å; I228-I231 PolarHBondContact O-N 2.87Å; I228-R232 WeakPolarHBondContact O-CB 3.41Å; I228-R232 PolarHBondContact O-N 3.07Å
229	Q	45.2	Very low	43.5	Very low	101 Å²	101	95.8 Å²	95.8	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-76.1	-36.7	179.1	-172.4	145.1	-14.5	0	0	112.9	D225 R226 H227 I231 R232 E233	D225-Q229 WeakPolarHBondContact O-CB 3.43Å; D225-Q229 PolarHBondContact O-N 3.47Å; R226-Q229 PolarHBondContact O-N 3.39Å; H227-Q229 VanDerWaalsContact C-N 3.29Å; H227-Q229 PolarHBondContact O-N 3.41Å; Q229-I231 VanDerWaalsContact C-N 3.31Å; Q229-I231 PolarHBondContact O-N 3.08Å; Q229-R232 WeakPolarHBondContact O-CB 3.31Å; Q229-R232 PolarHBondContact O-N 2.98Å; Q229-R232 VanDerWaalsContact O-N 3.12Å; Q229-E233 HydrophobicContact CG-CG 4.44Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.49Å; Q229-E233 PolarHBondContact NE2-OE1 3.15Å; Q229-E233 WeakPolarHBondContact O-CB 3.44Å; Q229-E233 WeakPolarHBondContact O-CG 3.37Å; Q229-E233 PolarHBondContact O-N 2.93Å
230	D	52.2	Low	43.2	Very low	54 Å²	54	94.6 Å²	94.6	29%	0.289	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-40	168.4	177.7	54.1	0	0	0	111.1	R226 H227 R234	R226-D230 VanDerWaalsContact O-CB 3.29Å; R226-D230 WeakPolarHBondContact O-CB 3.02Å; R226-D230 PolarHBondContact O-N 2.78Å; H227-D230 PolarHBondContact O-N 3.42Å; D230-R234 VanDerWaalsContact CG-NE 3.3Å; D230-R234 WeakPolarHBondContact O-CB 3.18Å; D230-R234 WeakPolarHBondContact O-CD 3.11Å; D230-R234 WeakPolarHBondContact O-CG 3.38Å; D230-R234 PolarHBondContact O-N 3.44Å; D230-R234 IonicContact OD1-CZ 2.73Å; D230-R234 IonicContact OD1-NE 2.89Å; D230-R234 PolarHBondContact OD1-NE 3.01Å; D230-R234 IonicContact OD1-NH2 3.91Å; D230-R234 PolarHBondContact OD1-NH2 2.92Å; D230-R234 IonicContact OD2-CZ 3.61Å; D230-R234 IonicContact OD2-NE 3.3Å; D230-R234 PolarHBondContact OD2-NE 2.96Å; D230-R234 IonicContact OD2-NH1 3.73Å; D230-R234 IonicContact OD2-NH2 2.74Å; D230-R234 PolarHBondContact OD2-NH2 2.92Å
231	I	47.3	Very low	43.1	Very low	49 Å²	49	93 Å²	93	25%	0.251	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-46	169.7	-68.2	163.2	0	0	0	110.7	H227 I228 Q229 E233 R234 M235	H227-I231 WeakPolarHBondContact O-CD1 3.35Å; H227-I231 VanDerWaalsContact O-CG1 3.25Å; H227-I231 WeakPolarHBondContact O-CG1 3.41Å; H227-I231 PolarHBondContact O-N 2.83Å; I228-I231 WeakPolarHBondContact O-CB 3.39Å; I228-I231 PolarHBondContact O-N 2.87Å; Q229-I231 VanDerWaalsContact C-N 3.31Å; Q229-I231 PolarHBondContact O-N 3.08Å; I231-E233 PolarHBondContact O-N 3.08Å; I231-R234 PolarHBondContact O-N 2.96Å; I231-M235 HydrophobicContact CG2-CE 4.03Å; I231-M235 HydrophobicContact CG2-CG 4.21Å; I231-M235 HydrophobicContact CG2-SD 4.26Å; I231-M235 WeakPolarHBondContact O-CB 3.43Å; I231-M235 VanDerWaalsContact O-CG 3.28Å; I231-M235 WeakPolarHBondContact O-CG 3.49Å; I231-M235 PolarHBondContact O-N 3.43Å
232	R	44.9	Very low	43.1	Very low	122 Å²	122	91.6 Å²	91.6	46%	0.46	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-45.6	179	-168.6	-177.7	-168	170.7	5.5	112.5	I228 Q229 R234 M235 G236 M238 V240	I228-R232 WeakPolarHBondContact O-CB 3.41Å; I228-R232 PolarHBondContact O-N 3.07Å; Q229-R232 WeakPolarHBondContact O-CB 3.31Å; Q229-R232 PolarHBondContact O-N 2.98Å; Q229-R232 VanDerWaalsContact O-N 3.12Å; R232-R234 VanDerWaalsContact C-N 3.34Å; R232-M235 PolarHBondContact O-N 3.24Å; R232-G236 PolarHBondContact O-N 3.45Å; R232-M238 PolarHBondContact NH2-O 2.91Å; R232-V240 HydrophobicContact CG-CG2 4.32Å
233	E	48.3	Very low	42.9	Very low	136 Å²	136	89 Å²	89	64%	0.636	45%	0.452	S	S	*	.	H	α-helix	trans	-64.8	-37.6	178.8	-73.4	171.1	-164.3	0	0	111.4	Q229 I231	Q229-E233 HydrophobicContact CG-CG 4.44Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.49Å; Q229-E233 PolarHBondContact NE2-OE1 3.15Å; Q229-E233 WeakPolarHBondContact O-CB 3.44Å; Q229-E233 WeakPolarHBondContact O-CG 3.37Å; Q229-E233 PolarHBondContact O-N 2.93Å; I231-E233 PolarHBondContact O-N 3.08Å
234	R	49	Very low	42.6	Very low	177 Å²	177	84.9 Å²	84.9	67%	0.668	44%	0.44	S	S	*	.	H	α-helix	trans	-75.3	-30.1	174.8	-68.5	172.9	-165.3	-156.6	9.5	114.2	D230 I231 R232 G236	D230-R234 VanDerWaalsContact CG-NE 3.3Å; D230-R234 WeakPolarHBondContact O-CB 3.18Å; D230-R234 WeakPolarHBondContact O-CD 3.11Å; D230-R234 WeakPolarHBondContact O-CG 3.38Å; D230-R234 PolarHBondContact O-N 3.44Å; D230-R234 IonicContact OD1-CZ 2.73Å; D230-R234 IonicContact OD1-NE 2.89Å; D230-R234 PolarHBondContact OD1-NE 3.01Å; D230-R234 IonicContact OD1-NH2 3.91Å; D230-R234 PolarHBondContact OD1-NH2 2.92Å; D230-R234 IonicContact OD2-CZ 3.61Å; D230-R234 IonicContact OD2-NE 3.3Å; D230-R234 PolarHBondContact OD2-NE 2.96Å; D230-R234 IonicContact OD2-NH1 3.73Å; D230-R234 IonicContact OD2-NH2 2.74Å; D230-R234 PolarHBondContact OD2-NH2 2.92Å; I231-R234 PolarHBondContact O-N 2.96Å; R232-R234 VanDerWaalsContact C-N 3.34Å; R234-G236 VanDerWaalsContact C-N 3.29Å; R234-G236 PolarHBondContact O-N 3.46Å
235	M	41.2	Very low	42.7	Very low	55 Å²	55	82.4 Å²	82.4	27%	0.271	43%	0.428	S	S	.	.	H	α-helix	trans	-76.7	-12.5	179.8	-73.6	-152.9	-54.2	0	0	113.8	I231 R232 S237 V240	I231-M235 HydrophobicContact CG2-CE 4.03Å; I231-M235 HydrophobicContact CG2-CG 4.21Å; I231-M235 HydrophobicContact CG2-SD 4.26Å; I231-M235 WeakPolarHBondContact O-CB 3.43Å; I231-M235 VanDerWaalsContact O-CG 3.28Å; I231-M235 WeakPolarHBondContact O-CG 3.49Å; I231-M235 PolarHBondContact O-N 3.43Å; R232-M235 PolarHBondContact O-N 3.24Å; M235-S237 PolarHBondContact O-N 3.45Å; M235-V240 HydrophobicContact CE-CB 4.32Å; M235-V240 HydrophobicContact CE-CG1 3.78Å; M235-V240 HydrophobicContact CE-CG2 3.49Å; M235-V240 VanDerWaalsContact CE-CG2 3.49Å
236	G	39.6	Very low	42.8	Very low	75 Å²	75	81.6 Å²	81.6	77%	0.773	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	14.2	171.5	0	0	0	0	0	115.2	R232 R234	R232-G236 PolarHBondContact O-N 3.45Å; R234-G236 VanDerWaalsContact C-N 3.29Å; R234-G236 PolarHBondContact O-N 3.46Å
237	S	39.4	Very low	43	Very low	59 Å²	59	74.7 Å²	74.7	41%	0.413	40%	0.402	S	S	.	.			trans	-120.1	127.3	179.5	-177.4	0	0	0	0	109.1	M235 D239	M235-S237 PolarHBondContact O-N 3.45Å; S237-D239 VanDerWaalsContact C-N 3.27Å; S237-D239 PolarHBondContact O-N 2.86Å
238	M	36.9	Very low	43.6	Very low	155 Å²	155	69.9 Å²	69.9	76%	0.764	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.6	-176.1	-74.1	175.8	61.6	0	0	112.8	R232	R232-M238 PolarHBondContact NH2-O 2.91Å
239	D	38.7	Very low	45	Very low	132 Å²	132	67.7 Å²	67.7	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	41.3	-164.8	-61	-43.2	0	0	0	114	S237 P241	S237-D239 VanDerWaalsContact C-N 3.27Å; S237-D239 PolarHBondContact O-N 2.86Å; D239-P241 WeakPolarHBondContact O-CD 3.46Å
240	V	35.5	Very low	46.7	Very low	44 Å²	44	63.3 Å²	63.3	27%	0.267	35%	0.347	S	S	.	.			trans	-65.3	115.3	172.7	-171.9	0	0	0	0	109.5	R232 M235	R232-V240 HydrophobicContact CG-CG2 4.32Å; M235-V240 HydrophobicContact CE-CB 4.32Å; M235-V240 HydrophobicContact CE-CG1 3.78Å; M235-V240 HydrophobicContact CE-CG2 3.49Å; M235-V240 VanDerWaalsContact CE-CG2 3.49Å
241	P	36	Very low	48	Very low	28 Å²	28	62.2 Å²	62.2	18%	0.182	34%	0.34	C	S	.	.			trans	-63.3	140.1	174.3	-18.3	32.8	0	0	0	109.5	D239 T243	D239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-T243 PolarHBondContact O-N 3.3Å
242	S	34.4	Very low	49.8	Very low	61 Å²	61	61.2 Å²	61.2	43%	0.427	34%	0.335	S	S	.	.			trans	-44.1	134.5	179.1	-59.1	0	0	0	0	110.3	G244	S242-G244 PolarHBondContact O-N 2.98Å
243	T	39.6	Very low	52	Low	57 Å²	57	55.5 Å²	55.5	35%	0.35	31%	0.314	S	S	.	.			trans	-60.4	88.9	178	48.8	0	0	0	0	109.1	T120 G121 P241	T120-T243 CarbonylContact C-O 3.55Å; G121-T243 WeakPolarHBondContact CA-O 3.17Å; P241-T243 PolarHBondContact O-N 3.3Å
244	G	38.6	Very low	54.1	Low	27 Å²	27	49.1 Å²	49.1	28%	0.278	28%	0.284	S	S	.	.			trans	-54.2	141.7	-177	0	0	0	0	0	110.3	T120 S242 V246 R308	T120-G244 CarbonylContact O-C 3.44Å; S242-G244 PolarHBondContact O-N 2.98Å; G244-V246 PolarHBondContact O-N 2.7Å; G244-R308 PolarHBondContact O-NH2 2.68Å
245	S	43.4	Very low	56.2	Low	1 Å²	1	41.2 Å²	41.2	1%	0.007	26%	0.255	C	S	.	.			trans	-54.6	141.1	171.4	146.1	0	0	0	0	107.6	S119 T120 G121 S247 D248	S119-S245 WeakPolarHBondContact CB-OG 3.37Å; T120-S245 WeakPolarHBondContact O-CA 3.48Å; T120-S245 PolarHBondContact O-N 3.41Å; G121-S245 PolarHBondContact O-N 3.37Å; S245-S247 PolarHBondContact O-N 3.15Å; S245-S247 PolarHBondContact OG-N 2.76Å; S245-D248 WeakPolarHBondContact CB-OD1 2.9Å; S245-D248 PolarHBondContact O-N 2.78Å; S245-D248 VanDerWaalsContact O-N 3.08Å; S245-D248 PolarHBondContact OG-N 3.3Å; S245-D248 PolarHBondContact OG-OD1 3.38Å
246	V	44.9	Very low	58.7	Low	36 Å²	36	38.6 Å²	38.6	22%	0.218	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-14.7	-177.1	-65.4	0	0	0	0	113.1	D102 G244 F249	D102-V246 WeakPolarHBondContact OD2-CG2 3.36Å; G244-V246 PolarHBondContact O-N 2.7Å; V246-F249 WeakPolarHBondContact O-CD1 3.44Å; V246-F249 WeakPolarHBondContact O-CE1 3.38Å
247	S	52	Low	61.1	Low	21 Å²	21	35.1 Å²	35.1	15%	0.147	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-13.8	177.5	-55	0	0	0	0	116.2	S245 F249 L250 T448	S245-S247 PolarHBondContact O-N 3.15Å; S245-S247 PolarHBondContact OG-N 2.76Å; S247-F249 PolarHBondContact O-N 3.5Å; S247-L250 PolarHBondContact O-N 2.99Å; S247-L250 VanDerWaalsContact O-N 3.14Å; S247-T448 VanDerWaalsContact CB-CG2 3.47Å; S247-T448 WeakPolarHBondContact OG-CG2 3.46Å
248	D	62.4	Low	63.5	Low	6 Å²	6	37.9 Å²	37.9	3%	0.032	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66	-16.4	-171.9	-81	30.2	0	0	0	113.1	S245 L250 S413 N414	S245-D248 WeakPolarHBondContact CB-OD1 2.9Å; S245-D248 PolarHBondContact O-N 2.78Å; S245-D248 VanDerWaalsContact O-N 3.08Å; S245-D248 PolarHBondContact OG-N 3.3Å; S245-D248 PolarHBondContact OG-OD1 3.38Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.09Å; D248-S413 WeakPolarHBondContact CB-OG 3.49Å; D248-S413 VanDerWaalsContact CG-CB 3.4Å; D248-S413 PolarHBondContact O-OG 3.29Å; D248-S413 VanDerWaalsContact O-OG 3.09Å; D248-S413 WeakPolarHBondContact OD2-CB 3.41Å; D248-N414 PolarHBondContact OD1-ND2 3.31Å
249	F	75	Confident	65.9	Low	26 Å²	26	33.8 Å²	33.8	11%	0.114	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-65.8	-24.5	176	80.3	-82.5	0	0	0	114.2	F78 V246 S247 K251 D252 A253 F264 V266 V310	F78-F249 HydrophobicContact CE1-CB 4.38Å; F78-F249 HydrophobicContact CE1-CD1 4.5Å; F78-F249 HydrophobicContact CE2-CB 4.22Å; F78-F249 HydrophobicContact CE2-CD2 4.15Å; F78-F249 HydrophobicContact CE2-CG 4.05Å; F78-F249 HydrophobicContact CZ-CB 3.67Å; F78-F249 AromaticContact CZ-CD1 3.66Å; F78-F249 HydrophobicContact CZ-CD1 3.66Å; F78-F249 HydrophobicContact CZ-CD2 4.06Å; F78-F249 HydrophobicContact CZ-CE1 4.31Å; F78-F249 AromaticContact CZ-CG 3.51Å; F78-F249 HydrophobicContact CZ-CG 3.51Å; V246-F249 WeakPolarHBondContact O-CD1 3.44Å; V246-F249 WeakPolarHBondContact O-CE1 3.38Å; S247-F249 PolarHBondContact O-N 3.5Å; F249-K251 PolarHBondContact O-N 3.32Å; F249-K251 VanDerWaalsContact O-N 3.13Å; F249-D252 PolarHBondContact O-N 3.16Å; F249-D252 VanDerWaalsContact O-N 3.14Å; F249-A253 HydrophobicContact CD2-CB 3.8Å; F249-A253 HydrophobicContact CE2-CB 4.01Å; F249-A253 PolarHBondContact O-N 3.47Å; F249-A253 VanDerWaalsContact O-N 3.1Å; F249-F264 AromaticContact CE2-CE2 3.85Å; F249-F264 HydrophobicContact CE2-CE2 3.85Å; F249-F264 AromaticContact CE2-CZ 3.82Å; F249-F264 HydrophobicContact CE2-CZ 3.82Å; F249-F264 HydrophobicContact CZ-CZ 4.45Å; F249-V266 HydrophobicContact CD2-CG1 3.53Å; F249-V266 HydrophobicContact CE2-CG1 3.44Å; F249-V266 VanDerWaalsContact CE2-CG1 3.44Å; F249-V310 HydrophobicContact CE1-CG1 4.02Å; F249-V310 HydrophobicContact CE2-CG1 3.9Å; F249-V310 HydrophobicContact CZ-CG1 3.51Å
250	L	81.2	Confident	68.3	Low	8 Å²	8	27.5 Å²	27.5	4%	0.042	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.8	-168.5	-74.2	177.5	0	0	0	114.5	S247 D248 D252 A253 Y254 F264 P313 T448	S247-L250 PolarHBondContact O-N 2.99Å; S247-L250 VanDerWaalsContact O-N 3.14Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.09Å; L250-D252 VanDerWaalsContact C-N 3.3Å; L250-D252 PolarHBondContact O-N 3.48Å; L250-A253 PolarHBondContact O-N 3.18Å; L250-Y254 HydrophobicContact CD2-CE2 4.43Å; L250-Y254 WeakPolarHBondContact O-CD2 3.08Å; L250-F264 HydrophobicContact CD2-CE2 4.2Å; L250-P313 HydrophobicContact CD1-CG 4.28Å; L250-P313 HydrophobicContact CD2-CG 3.31Å; L250-P313 HydrophobicContact CG-CG 4.47Å; L250-T448 HydrophobicContact CD1-CG2 3.9Å
251	K	80.8	Confident	70.8	Confident	32 Å²	32	29.4 Å²	29.4	14%	0.139	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-64.2	-31.5	178.7	68.7	-174.3	176.2	-164	0	114.4	F249 V411 D412 S413	F249-K251 PolarHBondContact O-N 3.32Å; F249-K251 VanDerWaalsContact O-N 3.13Å; K251-V411 WeakPolarHBondContact CB-O 3.39Å; K251-D412 WeakPolarHBondContact CD-OD1 3.5Å; K251-D412 WeakPolarHBondContact CE-OD1 3.48Å; K251-D412 IonicContact NZ-OD1 2.77Å; K251-D412 PolarHBondContact NZ-OD1 3.09Å; K251-S413 WeakPolarHBondContact CD-OG 3.26Å; K251-S413 WeakPolarHBondContact CE-OG 3.43Å; K251-S413 PolarHBondContact NZ-OG 3Å
252	D	84.9	Confident	73.5	Confident	28 Å²	28	28.1 Å²	28.1	15%	0.15	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	0.3	-179.1	-63.4	-43.7	0	0	0	111.1	R72 F249 L250 Q352	R72-D252 WeakPolarHBondContact CD-OD1 3.4Å; R72-D252 IonicContact CZ-OD1 3.29Å; R72-D252 IonicContact NE-OD1 2.72Å; R72-D252 IonicContact NH1-OD1 2.8Å; F249-D252 PolarHBondContact O-N 3.16Å; F249-D252 VanDerWaalsContact O-N 3.14Å; L250-D252 VanDerWaalsContact C-N 3.3Å; L250-D252 PolarHBondContact O-N 3.48Å; D252-Q352 PolarHBondContact OD1-NE2 2.74Å
253	A	90.8	Very high	76.4	Confident	2 Å²	2	26.5 Å²	26.5	2%	0.017	14%	0.142	C	C	.	.	S	Bend	trans	-80.4	-15.2	178	0	0	0	0	0	113.4	F249 L250 F264 K265 V266	F249-A253 HydrophobicContact CD2-CB 3.8Å; F249-A253 HydrophobicContact CE2-CB 4.01Å; F249-A253 PolarHBondContact O-N 3.47Å; F249-A253 VanDerWaalsContact O-N 3.1Å; L250-A253 PolarHBondContact O-N 3.18Å; A253-F264 HydrophobicContact CB-CD2 3.89Å; A253-F264 HydrophobicContact CB-CE2 3.69Å; A253-F264 CarbonylContact O-C 3.58Å; A253-F264 VanDerWaalsContact O-CA 3.25Å; A253-F264 WeakPolarHBondContact O-CA 3.17Å; A253-K265 WeakPolarHBondContact CA-O 3.45Å; A253-K265 PolarHBondContact O-N 2.99Å; A253-V266 HydrophobicContact CB-CG1 4.15Å
254	Y	92.8	Very high	79	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.1	177.8	-64.2	-75.7	0	0	0	110.5	L250 V262 H263 F264 P313 S315 I316 V337 V353 D450 P451 L452	L250-Y254 HydrophobicContact CD2-CE2 4.43Å; L250-Y254 WeakPolarHBondContact O-CD2 3.08Å; Y254-V262 HydrophobicContact CD1-CG1 4.18Å; Y254-H263 WeakPolarHBondContact CA-O 3.4Å; Y254-F264 HydrophobicContact CD1-CB 4.32Å; Y254-F264 HydrophobicContact CD1-CD2 4.36Å; Y254-F264 HydrophobicContact CE1-CB 4.09Å; Y254-F264 AromaticContact CE1-CD2 3.86Å; Y254-F264 HydrophobicContact CE1-CD2 3.86Å; Y254-F264 HydrophobicContact CE1-CG 4.47Å; Y254-F264 AromaticContact CZ-CD2 4Å; Y254-P313 VanDerWaalsContact OH-CB 3.24Å; Y254-P313 WeakPolarHBondContact OH-CB 3.46Å; Y254-P313 WeakPolarHBondContact OH-CG 3.17Å; Y254-S315 PolarHBondContact OH-OG 3.48Å; Y254-I316 HydrophobicContact CE1-CG1 4.45Å; Y254-V337 HydrophobicContact CD1-CG1 3.87Å; Y254-V337 HydrophobicContact CE1-CG1 3.67Å; Y254-V353 WeakPolarHBondContact O-CG2 3.14Å; Y254-D450 PolarHBondContact OH-OD1 2.83Å; Y254-P451 HydrophobicContact CD2-CB 4.3Å; Y254-P451 HydrophobicContact CD2-CG 3.9Å; Y254-P451 HydrophobicContact CE2-CB 4.43Å; Y254-P451 HydrophobicContact CE2-CG 3.91Å; Y254-L452 HydrophobicContact CD1-CD1 3.66Å; Y254-L452 HydrophobicContact CD1-CG 4.08Å; Y254-L452 HydrophobicContact CE1-CD1 3.38Å; Y254-L452 HydrophobicContact CE1-CG 3.86Å; Y254-L452 HydrophobicContact CE2-CG 4.47Å; Y254-L452 HydrophobicContact CG-CD1 4.47Å; Y254-L452 HydrophobicContact CG-CG 4.43Å
255	E	92.6	Very high	81.7	Confident	10 Å²	10	22.9 Å²	22.9	5%	0.047	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.1	-171.6	-65.9	-177.4	-97.5	0	0	111.6	R25 G257 V262 H263 R267	R25-E255 IonicContact CZ-OE2 3.65Å; R25-E255 IonicContact NH1-OE2 3.69Å; R25-E255 PolarHBondContact NH1-OE2 3.03Å; R25-E255 IonicContact NH2-OE2 2.74Å; R25-E255 PolarHBondContact NH2-OE2 3.1Å; E255-G257 PolarHBondContact O-N 3.25Å; E255-V262 CarbonylContact O-C 3.43Å; E255-V262 WeakPolarHBondContact O-CA 3.16Å; E255-H263 PolarHBondContact N-O 3.08Å; E255-H263 PolarHBondContact O-N 3.34Å; E255-R267 IonicContact OE1-CZ 3.22Å; E255-R267 IonicContact OE1-NH1 3.97Å; E255-R267 PolarHBondContact OE1-NH1 2.91Å; E255-R267 IonicContact OE1-NH2 3.78Å; E255-R267 PolarHBondContact OE1-NH2 2.8Å; E255-R267 IonicContact OE2-NH2 2.74Å; E255-R267 PolarHBondContact OE2-NH2 3.46Å
256	V	92.4	Very high	84	Confident	1 Å²	1	23 Å²	23	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.1	174.7	-169.8	0	0	0	0	110.2	L32 W51 V55 W58 K261 L347	L32-V256 HydrophobicContact CD1-CG1 3.98Å; W51-V256 HydrophobicContact CH2-CG2 4.3Å; W51-V256 HydrophobicContact CZ2-CG2 4.13Å; V55-V256 HydrophobicContact CG1-CG1 4.38Å; V55-V256 HydrophobicContact CG2-CG1 4.37Å; V55-V256 HydrophobicContact CG2-CG2 4.39Å; W58-V256 HydrophobicContact CD2-CG2 4.13Å; W58-V256 HydrophobicContact CE3-CB 4.1Å; W58-V256 HydrophobicContact CE3-CG2 3.9Å; W58-V256 HydrophobicContact CH2-CB 3.84Å; W58-V256 HydrophobicContact CH2-CG2 4.31Å; W58-V256 HydrophobicContact CZ2-CB 4.37Å; W58-V256 HydrophobicContact CZ2-CG2 4.47Å; W58-V256 HydrophobicContact CZ3-CB 3.69Å; W58-V256 HydrophobicContact CZ3-CG1 4.26Å; W58-V256 HydrophobicContact CZ3-CG2 4.02Å; V256-K261 CarbonylContact C-O 3.52Å; V256-K261 WeakPolarHBondContact CA-O 3.48Å; V256-L347 HydrophobicContact CG2-CD1 3.99Å
257	G	91.9	Very high	86.3	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.01	11%	0.107	C	C	.	.			trans	-84.1	175.2	175.6	0	0	0	0	0	113.1	E255 D259 G260 K261	E255-G257 PolarHBondContact O-N 3.25Å; G257-D259 PolarHBondContact O-N 3.17Å; G257-G260 PolarHBondContact O-N 3.48Å; G257-K261 PolarHBondContact N-O 2.93Å
258	E	89.8	Confident	87.9	Confident	117 Å²	117	21.1 Å²	21.1	55%	0.547	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.1	178.4	-63.2	168.6	-155.2	0	0	112.2	L28 R324	L28-E258 HydrophobicContact CD1-CB 4.31Å; L28-E258 HydrophobicContact CD1-CG 3.63Å; E258-R324 IonicContact OE1-CZ 2.87Å; E258-R324 IonicContact OE1-NH1 2.78Å; E258-R324 PolarHBondContact OE1-NH1 2.92Å; E258-R324 VanDerWaalsContact OE1-NH1 3.08Å; E258-R324 IonicContact OE1-NH2 2.68Å; E258-R324 PolarHBondContact OE1-NH2 3.16Å
259	D	87.3	Confident	88.9	Confident	69 Å²	69	23.4 Å²	23.4	37%	0.369	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.7	175.1	66.9	-10.6	0	0	0	114	L43 G257 K261 H263	L43-D259 WeakPolarHBondContact CD2-O 3.05Å; G257-D259 PolarHBondContact O-N 3.17Å; D259-K261 PolarHBondContact O-N 3.02Å; D259-K261 WeakPolarHBondContact OD1-CB 3.33Å; D259-K261 PolarHBondContact OD1-N 3.16Å; D259-H263 IonicContact OD1-CD2 3.08Å; D259-H263 PolarHBondContact OD1-CD2 3.2Å; D259-H263 IonicContact OD1-NE2 2.92Å; D259-H263 PolarHBondContact OD1-NE2 2.99Å; D259-H263 IonicContact OD2-CE1 3.16Å; D259-H263 IonicContact OD2-NE2 2.78Å; D259-H263 PolarHBondContact OD2-NE2 3.2Å
260	G	88	Confident	89.5	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.01	11%	0.107	C	C	.	.	S	Bend	trans	73	9.9	-178.2	0	0	0	0	0	115	W51 G257	W51-G260 PolarHBondContact NE1-O 3.45Å; G257-G260 PolarHBondContact O-N 3.48Å
261	K	89.2	Confident	89.6	Confident	83 Å²	83	28.4 Å²	28.4	36%	0.361	14%	0.136	S	C	.	.	S	Bend	trans	-102.9	166.6	177.5	-60.2	-174.2	-179.7	174.4	0	111	Y47 V256 G257 D259	Y47-K261 HydrophobicContact CE2-CB 4.1Å; Y47-K261 HydrophobicContact CE2-CG 4.13Å; Y47-K261 WeakPolarHBondContact OH-CB 3.35Å; V256-K261 CarbonylContact C-O 3.52Å; V256-K261 WeakPolarHBondContact CA-O 3.48Å; G257-K261 PolarHBondContact N-O 2.93Å; D259-K261 PolarHBondContact O-N 3.02Å; D259-K261 WeakPolarHBondContact OD1-CB 3.33Å; D259-K261 PolarHBondContact OD1-N 3.16Å
262	V	92.2	Very high	89.7	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.2	169.3	178	0	0	0	0	109.4	Y47 W51 Y254 E255 V337 L345 V353	Y47-V262 HydrophobicContact CE1-CG2 4.33Å; Y47-V262 PolarHBondContact OH-N 3.41Å; W51-V262 HydrophobicContact CH2-CG2 3.7Å; W51-V262 HydrophobicContact CZ2-CG2 4.04Å; Y254-V262 HydrophobicContact CD1-CG1 4.18Å; E255-V262 CarbonylContact O-C 3.43Å; E255-V262 WeakPolarHBondContact O-CA 3.16Å; V262-V337 HydrophobicContact CB-CG2 4.07Å; V262-V337 HydrophobicContact CG1-CG2 3.99Å; V262-V337 WeakPolarHBondContact O-CG2 3.25Å; V262-L345 HydrophobicContact CB-CD1 4.42Å; V262-L345 HydrophobicContact CG2-CD1 3.99Å; V262-V353 HydrophobicContact CG1-CG2 3.96Å; V262-V353 HydrophobicContact CG2-CG2 3.92Å
263	H	93.8	Very high	89.8	Confident	27 Å²	27	29.4 Å²	29.4	13%	0.125	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.1	170.6	-76.5	-116.1	0	0	0	109.1	Y254 E255 D259	Y254-H263 WeakPolarHBondContact CA-O 3.4Å; E255-H263 PolarHBondContact N-O 3.08Å; E255-H263 PolarHBondContact O-N 3.34Å; D259-H263 IonicContact OD1-CD2 3.08Å; D259-H263 PolarHBondContact OD1-CD2 3.2Å; D259-H263 IonicContact OD1-NE2 2.92Å; D259-H263 PolarHBondContact OD1-NE2 2.99Å; D259-H263 IonicContact OD2-CE1 3.16Å; D259-H263 IonicContact OD2-NE2 2.78Å; D259-H263 PolarHBondContact OD2-NE2 3.2Å
264	F	94.9	Very high	89.8	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.1	166.4	177.1	-99.6	0	0	0	109.5	F249 L250 A253 Y254 V266 L312 P313 I316 E334 A335 V337	F249-F264 AromaticContact CE2-CE2 3.85Å; F249-F264 HydrophobicContact CE2-CE2 3.85Å; F249-F264 AromaticContact CE2-CZ 3.82Å; F249-F264 HydrophobicContact CE2-CZ 3.82Å; F249-F264 HydrophobicContact CZ-CZ 4.45Å; L250-F264 HydrophobicContact CD2-CE2 4.2Å; A253-F264 HydrophobicContact CB-CD2 3.89Å; A253-F264 HydrophobicContact CB-CE2 3.69Å; A253-F264 CarbonylContact O-C 3.58Å; A253-F264 VanDerWaalsContact O-CA 3.25Å; A253-F264 WeakPolarHBondContact O-CA 3.17Å; Y254-F264 HydrophobicContact CD1-CB 4.32Å; Y254-F264 HydrophobicContact CD1-CD2 4.36Å; Y254-F264 HydrophobicContact CE1-CB 4.09Å; Y254-F264 AromaticContact CE1-CD2 3.86Å; Y254-F264 HydrophobicContact CE1-CD2 3.86Å; Y254-F264 HydrophobicContact CE1-CG 4.47Å; Y254-F264 AromaticContact CZ-CD2 4Å; F264-V266 HydrophobicContact CE1-CB 4.49Å; F264-V266 HydrophobicContact CE1-CG1 3.76Å; F264-V266 HydrophobicContact CE1-CG2 4.01Å; F264-V266 HydrophobicContact CE2-CG1 3.98Å; F264-V266 HydrophobicContact CZ-CG1 3.4Å; F264-V266 VanDerWaalsContact CZ-CG1 3.4Å; F264-V266 HydrophobicContact CZ-CG2 4.39Å; F264-L312 HydrophobicContact CE1-CD2 3.68Å; F264-L312 HydrophobicContact CZ-CD2 4Å; F264-P313 HydrophobicContact CE2-CG 4.41Å; F264-I316 HydrophobicContact CB-CD1 4.02Å; F264-I316 HydrophobicContact CB-CG1 3.82Å; F264-I316 HydrophobicContact CB-CG2 4.16Å; F264-I316 HydrophobicContact CD1-CD1 3.61Å; F264-I316 HydrophobicContact CD1-CG1 4.27Å; F264-I316 HydrophobicContact CD1-CG2 4.28Å; F264-I316 HydrophobicContact CD2-CD1 3.35Å; F264-I316 HydrophobicContact CD2-CG1 3.96Å; F264-I316 HydrophobicContact CE1-CD1 3.73Å; F264-I316 HydrophobicContact CE2-CD1 3.46Å; F264-I316 VanDerWaalsContact CE2-CD1 3.46Å; F264-I316 HydrophobicContact CG-CD1 3.39Å; F264-I316 HydrophobicContact CG-CG1 3.78Å; F264-I316 HydrophobicContact CG-CG2 4.38Å; F264-I316 HydrophobicContact CZ-CD1 3.63Å; F264-E334 CarbonylContact O-C 3.56Å; F264-E334 WeakPolarHBondContact O-CA 3.44Å; F264-A335 PolarHBondContact N-O 3.5Å; F264-A335 PolarHBondContact O-N 2.82Å; F264-V337 HydrophobicContact CB-CG1 4.11Å
265	K	95.2	Very high	89.8	Confident	6 Å²	6	32 Å²	32	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	113.4	-177.5	-68.5	-174.2	176	177.3	0	110.7	A253 M332 L333 E334	A253-K265 WeakPolarHBondContact CA-O 3.45Å; A253-K265 PolarHBondContact O-N 2.99Å; K265-M332 HydrophobicContact CD-SD 4.38Å; K265-L333 WeakPolarHBondContact CA-O 3.46Å; K265-E334 VanDerWaalsContact CE-OE2 3.31Å; K265-E334 WeakPolarHBondContact CE-OE2 3.18Å; K265-E334 HydrophobicContact CG-CB 3.9Å; K265-E334 IonicContact NZ-OE2 2.69Å
266	V	91.5	Very high	89.8	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.1	171.3	-64.6	0	0	0	0	110.9	F78 F249 A253 F264 F268 M332 L333	F78-V266 HydrophobicContact CE2-CB 4.32Å; F78-V266 HydrophobicContact CE2-CG1 4.45Å; F249-V266 HydrophobicContact CD2-CG1 3.53Å; F249-V266 HydrophobicContact CE2-CG1 3.44Å; F249-V266 VanDerWaalsContact CE2-CG1 3.44Å; A253-V266 HydrophobicContact CB-CG1 4.15Å; F264-V266 HydrophobicContact CE1-CB 4.49Å; F264-V266 HydrophobicContact CE1-CG1 3.76Å; F264-V266 HydrophobicContact CE1-CG2 4.01Å; F264-V266 HydrophobicContact CE2-CG1 3.98Å; F264-V266 HydrophobicContact CZ-CG1 3.4Å; F264-V266 VanDerWaalsContact CZ-CG1 3.4Å; F264-V266 HydrophobicContact CZ-CG2 4.39Å; V266-F268 HydrophobicContact CG2-CE2 4.02Å; V266-F268 HydrophobicContact CG2-CZ 4.39Å; V266-M332 WeakPolarHBondContact O-CA 3.41Å; V266-L333 HydrophobicContact CG2-CB 3.79Å; V266-L333 HydrophobicContact CG2-CD1 4.05Å; V266-L333 HydrophobicContact CG2-CG 4.36Å; V266-L333 PolarHBondContact N-O 3.33Å; V266-L333 PolarHBondContact O-N 2.78Å
267	R	93.1	Very high	89.7	Confident	16 Å²	16	41 Å²	41	6%	0.06	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	-171	-62.9	165.2	-178.2	83.2	-5.1	109.7	F21 M77 F78 E255 V330 L331 M332	F21-R267 VanDerWaalsContact CE2-NE 3.28Å; M77-R267 WeakPolarHBondContact CA-O 3.43Å; M77-R267 HydrophobicContact CG-CB 3.86Å; F78-R267 PolarHBondContact N-O 2.68Å; E255-R267 IonicContact OE1-CZ 3.22Å; E255-R267 IonicContact OE1-NH1 3.97Å; E255-R267 PolarHBondContact OE1-NH1 2.91Å; E255-R267 IonicContact OE1-NH2 3.78Å; E255-R267 PolarHBondContact OE1-NH2 2.8Å; E255-R267 IonicContact OE2-NH2 2.74Å; E255-R267 PolarHBondContact OE2-NH2 3.46Å; R267-V330 HydrophobicContact CB-CG1 4.14Å; R267-V330 HydrophobicContact CG-CG1 4.33Å; R267-L331 CarbonylContact C-O 3.56Å; R267-L331 WeakPolarHBondContact CA-O 3.41Å; R267-M332 HydrophobicContact CG-CE 4.14Å; R267-M332 HydrophobicContact CG-CG 4.31Å
268	F	87	Confident	89.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.3	174.2	-51.5	-106.1	0	0	0	108.4	F78 L80 V266 A270 V289 R308 V310 L331 L333	F78-F268 HydrophobicContact CB-CD1 3.55Å; F78-F268 HydrophobicContact CB-CE1 3.97Å; F78-F268 HydrophobicContact CB-CG 4.21Å; F78-F268 HydrophobicContact CD2-CD1 4.23Å; F78-F268 AromaticContact CD2-CE1 3.94Å; F78-F268 HydrophobicContact CD2-CE1 3.94Å; F78-F268 HydrophobicContact CD2-CZ 4.19Å; F78-F268 HydrophobicContact CG-CD1 4.28Å; F78-F268 HydrophobicContact CG-CE1 4.23Å; F78-F268 CarbonylContact O-C 3.52Å; F78-F268 WeakPolarHBondContact O-CA 3.35Å; F78-F268 WeakPolarHBondContact O-CB 3.21Å; L80-F268 HydrophobicContact CD2-CB 4.33Å; L80-F268 HydrophobicContact CD2-CD1 3.98Å; L80-F268 HydrophobicContact CD2-CG 4.49Å; V266-F268 HydrophobicContact CG2-CE2 4.02Å; V266-F268 HydrophobicContact CG2-CZ 4.39Å; F268-A270 PolarHBondContact O-N 3.45Å; F268-V289 HydrophobicContact CD1-CB 4.42Å; F268-V289 HydrophobicContact CD1-CG2 4.09Å; F268-V289 HydrophobicContact CD2-CG2 4.12Å; F268-V289 HydrophobicContact CE1-CB 4.31Å; F268-V289 HydrophobicContact CE1-CG2 3.72Å; F268-V289 HydrophobicContact CE2-CG2 3.78Å; F268-V289 HydrophobicContact CG-CG2 4.3Å; F268-V289 HydrophobicContact CZ-CG2 3.57Å; F268-R308 HydrophobicContact CD1-CB 4.06Å; F268-R308 HydrophobicContact CD1-CG 4.07Å; F268-R308 HydrophobicContact CE1-CB 3.98Å; F268-R308 HydrophobicContact CE1-CG 3.8Å; F268-V310 HydrophobicContact CE1-CG2 3.77Å; F268-V310 HydrophobicContact CZ-CG2 3.64Å; F268-L331 HydrophobicContact CB-CB 4.25Å; F268-L331 HydrophobicContact CD2-CD2 4.28Å; F268-L331 PolarHBondContact N-O 3.37Å; F268-L331 PolarHBondContact O-N 2.66Å; F268-L333 HydrophobicContact CE2-CD1 3.61Å; F268-L333 HydrophobicContact CE2-CG 3.99Å; F268-L333 HydrophobicContact CZ-CD1 4.04Å
269	D	82.4	Confident	89.9	Confident	54 Å²	54	39.4 Å²	39.4	29%	0.289	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	108.5	162.8	-173.2	-6.2	0	0	0	108.1	F78 Q271	F78-D269 PolarHBondContact O-N 2.71Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.32Å; D269-Q271 PolarHBondContact OD1-N 2.82Å
270	A	87.5	Confident	90.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.			trans	-118.2	28.8	174.4	0	0	0	0	0	110.5	L80 F268 G272 F273 I278 M325 G329 L331	L80-A270 HydrophobicContact CD1-CB 4.23Å; F268-A270 PolarHBondContact O-N 3.45Å; A270-G272 PolarHBondContact O-N 3.46Å; A270-F273 HydrophobicContact CB-CD2 4.44Å; A270-F273 PolarHBondContact O-N 3.01Å; A270-I278 HydrophobicContact CB-CD1 3.85Å; A270-M325 HydrophobicContact CB-CE 4Å; A270-M325 WeakPolarHBondContact O-CE 3.37Å; A270-G329 CarbonylContact C-O 3.5Å; A270-G329 VanDerWaalsContact C-O 3.23Å; A270-G329 WeakPolarHBondContact CA-O 3.45Å; A270-G329 PolarHBondContact N-O 3.24Å; A270-L331 HydrophobicContact CB-CB 4.01Å
271	Q	83.7	Confident	90.3	Very high	140 Å²	140	37.7 Å²	37.7	65%	0.654	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	131.7	177.7	-168	-178.5	16.4	0	0	110.9	D269 G329	D269-Q271 WeakPolarHBondContact OD1-CB 3.32Å; D269-Q271 PolarHBondContact OD1-N 2.82Å; Q271-G329 PolarHBondContact N-O 2.86Å
272	G	83.2	Confident	90.1	Very high	47 Å²	47	34.2 Å²	34.2	49%	0.485	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-2.2	179.6	0	0	0	0	0	115.5	A270 K293	A270-G272 PolarHBondContact O-N 3.46Å; G272-K293 PolarHBondContact O-NZ 2.81Å
273	F	86.7	Confident	89.4	Confident	33 Å²	33	35.2 Å²	35.2	15%	0.145	20%	0.195	C	C	.	.			trans	-96	152.1	163.7	-61.2	-84.8	0	0	0	110.3	L80 A270 D277 I278 A291 K293 F306 M325	L80-F273 HydrophobicContact CD1-CD2 4.41Å; L80-F273 HydrophobicContact CD1-CE2 4.24Å; A270-F273 HydrophobicContact CB-CD2 4.44Å; A270-F273 PolarHBondContact O-N 3.01Å; F273-D277 HydrophobicContact CB-CB 4.43Å; F273-D277 HydrophobicContact CD1-CB 4.36Å; F273-I278 HydrophobicContact CB-CD1 3.99Å; F273-I278 HydrophobicContact CB-CG1 4.01Å; F273-A291 HydrophobicContact CD1-CB 3.71Å; F273-A291 HydrophobicContact CD2-CB 4.44Å; F273-A291 HydrophobicContact CE1-CB 3.71Å; F273-A291 HydrophobicContact CE2-CB 4.45Å; F273-A291 HydrophobicContact CG-CB 4.09Å; F273-A291 HydrophobicContact CZ-CB 4.11Å; F273-K293 HydrophobicContact CD1-CB 4.12Å; F273-K293 HydrophobicContact CE1-CB 3.85Å; F273-F306 AromaticContact CE1-CD2 3.97Å; F273-F306 HydrophobicContact CE1-CD2 3.97Å; F273-F306 HydrophobicContact CE1-CE2 4.36Å; F273-F306 HydrophobicContact CZ-CB 4.35Å; F273-F306 AromaticContact CZ-CD2 3.45Å; F273-F306 HydrophobicContact CZ-CD2 3.45Å; F273-F306 VanDerWaalsContact CZ-CD2 3.45Å; F273-F306 AromaticContact CZ-CE2 3.79Å; F273-F306 HydrophobicContact CZ-CE2 3.79Å; F273-F306 AromaticContact CZ-CG 3.93Å; F273-F306 HydrophobicContact CZ-CG 3.93Å; F273-M325 VanDerWaalsContact O-CE 3.28Å; F273-M325 WeakPolarHBondContact O-CE 3.49Å
274	A	90.1	Very high	88.4	Confident	30 Å²	30	39.9 Å²	39.9	25%	0.248	22%	0.217	C	C	.	.			trans	-96.2	158.3	165.8	0	0	0	0	0	110.5	Q276 D277	A274-Q276 PolarHBondContact O-N 3.1Å; A274-Q276 VanDerWaalsContact O-N 3.13Å; A274-D277 WeakPolarHBondContact CB-OD2 3.48Å; A274-D277 PolarHBondContact N-OD2 3.15Å; A274-D277 VanDerWaalsContact O-CB 3.28Å; A274-D277 WeakPolarHBondContact O-CB 3.36Å; A274-D277 PolarHBondContact O-N 3.34Å
275	P	92.5	Very high	87.5	Confident	28 Å²	28	42.4 Å²	42.4	18%	0.182	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-54.3	-35.1	-178.1	-29.3	35.9	0	0	0	114.7	V14 R16 D277 I278 M325	V14-P275 HydrophobicContact CB-CB 4.48Å; V14-P275 HydrophobicContact CG1-CB 4.02Å; R16-P275 HydrophobicContact CB-CG 4.21Å; R16-P275 HydrophobicContact CG-CG 4.5Å; P275-D277 VanDerWaalsContact C-N 3.26Å; P275-D277 PolarHBondContact O-N 2.75Å; P275-I278 PolarHBondContact O-N 2.91Å; P275-M325 HydrophobicContact CB-SD 4.47Å; P275-M325 HydrophobicContact CG-SD 3.9Å
276	Q	92.5	Very high	86.7	Confident	153 Å²	153	44.7 Å²	44.7	72%	0.715	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-74.2	-13.3	177.3	73.8	-77.8	-6.5	0	0	114.4	A274 I278	A274-Q276 PolarHBondContact O-N 3.1Å; A274-Q276 VanDerWaalsContact O-N 3.13Å; Q276-I278 VanDerWaalsContact C-N 3.28Å
277	D	91.5	Very high	86.3	Confident	47 Å²	47	44.5 Å²	44.5	25%	0.251	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-84.5	-7.7	176.1	-53.8	-22	0	0	0	111.3	F273 A274 P275 A291 K292	F273-D277 HydrophobicContact CB-CB 4.43Å; F273-D277 HydrophobicContact CD1-CB 4.36Å; A274-D277 WeakPolarHBondContact CB-OD2 3.48Å; A274-D277 PolarHBondContact N-OD2 3.15Å; A274-D277 VanDerWaalsContact O-CB 3.28Å; A274-D277 WeakPolarHBondContact O-CB 3.36Å; A274-D277 PolarHBondContact O-N 3.34Å; P275-D277 VanDerWaalsContact C-N 3.26Å; P275-D277 PolarHBondContact O-N 2.75Å; D277-A291 CarbonylContact O-C 3.56Å; D277-A291 VanDerWaalsContact O-CA 3.28Å; D277-A291 WeakPolarHBondContact O-CA 3.47Å; D277-K292 WeakPolarHBondContact CB-O 3.22Å; D277-K292 PolarHBondContact O-N 2.83Å
278	I	92.5	Very high	85.7	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.7	-172.4	-54.5	174.6	0	0	0	110.4	V14 A270 F273 P275 Q276 V280 V289 H290 A291 M325 L331	V14-I278 HydrophobicContact CG2-CB 4.37Å; V14-I278 HydrophobicContact CG2-CG2 4.2Å; A270-I278 HydrophobicContact CB-CD1 3.85Å; F273-I278 HydrophobicContact CB-CD1 3.99Å; F273-I278 HydrophobicContact CB-CG1 4.01Å; P275-I278 PolarHBondContact O-N 2.91Å; Q276-I278 VanDerWaalsContact C-N 3.28Å; I278-V280 HydrophobicContact CG2-CG2 4.16Å; I278-V289 HydrophobicContact CG2-CG1 3.87Å; I278-H290 CarbonylContact C-O 3.59Å; I278-H290 WeakPolarHBondContact CA-O 3.49Å; I278-A291 HydrophobicContact CG1-CB 4.08Å; I278-M325 HydrophobicContact CD1-CE 4Å; I278-M325 HydrophobicContact CD1-SD 3.73Å; I278-L331 HydrophobicContact CD1-CD1 4.24Å; I278-L331 HydrophobicContact CG2-CD2 4.01Å
279	N	92.5	Very high	85.6	Confident	72 Å²	72	44.6 Å²	44.6	39%	0.385	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.3	169.6	-177	17.3	0	0	0	109.9	S11 H290	S11-N279 PolarHBondContact OG-OD1 2.8Å; N279-H290 PolarHBondContact N-O 3.37Å; N279-H290 PolarHBondContact O-N 3.07Å
280	V	93.4	Very high	85.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.7	174.2	-179	0	0	0	0	108.8	S11 I12 V14 I278 V287 T288 V289 L331 L333	S11-V280 CarbonylContact C-O 3.58Å; S11-V280 WeakPolarHBondContact CA-O 3.34Å; I12-V280 HydrophobicContact CB-CB 4.22Å; I12-V280 HydrophobicContact CB-CG1 4Å; I12-V280 HydrophobicContact CD1-CG1 4.02Å; I12-V280 PolarHBondContact N-O 2.87Å; V14-V280 HydrophobicContact CG2-CG2 3.83Å; I278-V280 HydrophobicContact CG2-CG2 4.16Å; V280-V287 HydrophobicContact CG1-CG1 3.45Å; V280-V287 VanDerWaalsContact CG1-CG1 3.45Å; V280-T288 WeakPolarHBondContact CA-O 3.46Å; V280-V289 HydrophobicContact CG2-CG2 4.29Å; V280-L331 HydrophobicContact CG2-CD2 4.27Å; V280-L333 HydrophobicContact CG1-CD1 4.43Å; V280-L333 HydrophobicContact CG1-CD2 3.68Å
281	T	89.9	Confident	85.5	Confident	34 Å²	34	44.5 Å²	44.5	21%	0.209	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134	177.1	57.5	0	0	0	0	112	V10 V287 T288	V10-T281 CarbonylContact O-C 3.59Å; V10-T281 VanDerWaalsContact O-CA 3.31Å; V10-T281 WeakPolarHBondContact O-CA 3.38Å; T281-V287 CarbonylContact O-C 3.49Å; T281-V287 WeakPolarHBondContact O-CA 3.26Å; T281-V287 WeakPolarHBondContact O-CG1 3.4Å; T281-T288 PolarHBondContact N-O 3.02Å; T281-T288 PolarHBondContact O-N 2.98Å
282	S	85.4	Confident	85.6	Confident	10 Å²	10	41.3 Å²	41.3	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.7	172.9	-175.2	0	0	0	0	110.8	A9 V10 R286	A9-S282 CarbonylContact C-O 3.6Å; A9-S282 VanDerWaalsContact CA-O 3.3Å; A9-S282 WeakPolarHBondContact CA-O 3.3Å; V10-S282 PolarHBondContact N-O 3.31Å; V10-S282 PolarHBondContact O-N 3.02Å; S282-R286 CarbonylContact C-O 3.51Å; S282-R286 WeakPolarHBondContact CA-O 3.49Å
283	S	78.7	Confident	85.3	Confident	22 Å²	22	43.1 Å²	43.1	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.7	176.6	63.4	0	0	0	0	111	N285 R286	S283-N285 PolarHBondContact O-N 3.02Å; S283-R286 PolarHBondContact N-O 3.14Å; S283-R286 PolarHBondContact O-N 3.34Å; S283-R286 VanDerWaalsContact O-N 3.09Å
284	E	72.7	Confident	85.1	Confident	126 Å²	126	47 Å²	47	59%	0.589	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-63.4	177.5	-69.9	-178.4	-174.4	0	0	116.6	H7	H7-E284 HydrophobicContact CB-CG 3.71Å; H7-E284 VanDerWaalsContact CB-OE1 3.32Å; H7-E284 WeakPolarHBondContact CB-OE1 3.42Å; H7-E284 IonicContact CD2-OE1 3.54Å; H7-E284 IonicContact CG-OE1 3.29Å; H7-E284 VanDerWaalsContact CG-OE1 3.29Å; H7-E284 WeakPolarHBondContact ND1-CG 3.15Å; H7-E284 IonicContact ND1-OE1 3.89Å
285	N	75.6	Confident	84.3	Confident	53 Å²	53	48.8 Å²	48.8	28%	0.283	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-157.1	27.5	-172.4	65.6	-19.4	0	0	0	110.9	S283 Q311 L312	S283-N285 PolarHBondContact O-N 3.02Å; N285-Q311 PolarHBondContact O-OE1 3.42Å; N285-L312 WeakPolarHBondContact O-CA 3.47Å; N285-L312 WeakPolarHBondContact O-CB 3.34Å; N285-L312 PolarHBondContact O-N 3.44Å
286	R	79.2	Confident	83.6	Confident	55 Å²	55	52 Å²	52	21%	0.208	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	141.6	-161.8	-167.6	168.2	65.7	-173.6	-17.2	112.7	S282 S283 M309 V310	S282-R286 CarbonylContact C-O 3.51Å; S282-R286 WeakPolarHBondContact CA-O 3.49Å; S283-R286 PolarHBondContact N-O 3.14Å; S283-R286 PolarHBondContact O-N 3.34Å; S283-R286 VanDerWaalsContact O-N 3.09Å; R286-M309 WeakPolarHBondContact CD-SD 3.39Å; R286-M309 HydrophobicContact CG-CE 4.45Å; R286-M309 HydrophobicContact CG-CG 3.66Å; R286-M309 HydrophobicContact CG-SD 4.21Å; R286-V310 WeakPolarHBondContact CA-O 3.41Å; R286-V310 WeakPolarHBondContact CG-O 3.46Å
287	V	82.8	Confident	82.7	Confident	1 Å²	1	49 Å²	49	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.5	169.2	-173.1	0	0	0	0	110.8	V280 T281 M309 V310 L312 L321 L333	V280-V287 HydrophobicContact CG1-CG1 3.45Å; V280-V287 VanDerWaalsContact CG1-CG1 3.45Å; T281-V287 CarbonylContact O-C 3.49Å; T281-V287 WeakPolarHBondContact O-CA 3.26Å; T281-V287 WeakPolarHBondContact O-CG1 3.4Å; V287-M309 WeakPolarHBondContact O-CA 3.42Å; V287-V310 PolarHBondContact N-O 3.3Å; V287-V310 PolarHBondContact O-N 2.81Å; V287-L312 HydrophobicContact CG2-CD1 3.85Å; V287-L312 HydrophobicContact CG2-CD2 3.97Å; V287-L312 HydrophobicContact CG2-CG 4.09Å; V287-L321 HydrophobicContact CG2-CD1 3.92Å; V287-L333 HydrophobicContact CB-CD1 3.94Å; V287-L333 HydrophobicContact CG1-CD1 3.49Å; V287-L333 VanDerWaalsContact CG1-CD1 3.49Å; V287-L333 HydrophobicContact CG2-CD1 4.16Å
288	T	80.7	Confident	81.9	Confident	18 Å²	18	55.6 Å²	55.6	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.1	169.5	-48.6	0	0	0	0	108.5	V280 T281 M309	V280-T288 WeakPolarHBondContact CA-O 3.46Å; T281-T288 PolarHBondContact N-O 3.02Å; T281-T288 PolarHBondContact O-N 2.98Å; T288-M309 HydrophobicContact CG2-CE 4.37Å; T288-M309 VanDerWaalsContact OG1-CE 3.24Å; T288-M309 WeakPolarHBondContact OG1-CE 3.38Å
289	V	83.4	Confident	81	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.8	169.2	-178.9	0	0	0	0	106.9	L80 F268 I278 V280 C307 R308 L331 L333	L80-V289 HydrophobicContact CD1-CG1 4.43Å; L80-V289 HydrophobicContact CD2-CB 4.08Å; L80-V289 HydrophobicContact CD2-CG1 3.72Å; F268-V289 HydrophobicContact CD1-CB 4.42Å; F268-V289 HydrophobicContact CD1-CG2 4.09Å; F268-V289 HydrophobicContact CD2-CG2 4.12Å; F268-V289 HydrophobicContact CE1-CB 4.31Å; F268-V289 HydrophobicContact CE1-CG2 3.72Å; F268-V289 HydrophobicContact CE2-CG2 3.78Å; F268-V289 HydrophobicContact CG-CG2 4.3Å; F268-V289 HydrophobicContact CZ-CG2 3.57Å; I278-V289 HydrophobicContact CG2-CG1 3.87Å; V280-V289 HydrophobicContact CG2-CG2 4.29Å; V289-C307 CarbonylContact O-C 3.54Å; V289-C307 VanDerWaalsContact O-CA 3.27Å; V289-C307 WeakPolarHBondContact O-CA 3.5Å; V289-R308 PolarHBondContact N-O 3.14Å; V289-R308 PolarHBondContact O-N 2.81Å; V289-L331 HydrophobicContact CB-CD2 4.49Å; V289-L331 HydrophobicContact CG1-CD2 3.5Å; V289-L331 VanDerWaalsContact CG1-CD2 3.5Å; V289-L331 HydrophobicContact CG2-CD2 4.13Å; V289-L333 HydrophobicContact CG2-CD1 4.44Å
290	H	84.6	Confident	80.1	Confident	51 Å²	51	57.1 Å²	57.1	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.6	174	175.2	-108.1	0	0	0	108.8	I278 N279 E305 F306	I278-H290 CarbonylContact C-O 3.59Å; I278-H290 WeakPolarHBondContact CA-O 3.49Å; N279-H290 PolarHBondContact N-O 3.37Å; N279-H290 PolarHBondContact O-N 3.07Å; H290-E305 IonicContact CE1-OE2 3.35Å; H290-E305 PolarHBondContact CE1-OE2 3.4Å; H290-E305 IonicContact NE2-OE2 2.81Å; H290-E305 PolarHBondContact NE2-OE2 3.08Å; H290-F306 CarbonylContact C-O 3.6Å; H290-F306 WeakPolarHBondContact CA-O 3.47Å
291	A	83.4	Confident	79.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.6	177.9	0	0	0	0	0	110.1	L80 F273 D277 I278 E305 F306	L80-A291 HydrophobicContact CD1-CB 3.79Å; F273-A291 HydrophobicContact CD1-CB 3.71Å; F273-A291 HydrophobicContact CD2-CB 4.44Å; F273-A291 HydrophobicContact CE1-CB 3.71Å; F273-A291 HydrophobicContact CE2-CB 4.45Å; F273-A291 HydrophobicContact CG-CB 4.09Å; F273-A291 HydrophobicContact CZ-CB 4.11Å; D277-A291 CarbonylContact O-C 3.56Å; D277-A291 VanDerWaalsContact O-CA 3.28Å; D277-A291 WeakPolarHBondContact O-CA 3.47Å; I278-A291 HydrophobicContact CG1-CB 4.08Å; A291-E305 CarbonylContact O-C 3.57Å; A291-E305 WeakPolarHBondContact O-CA 3.31Å; A291-F306 PolarHBondContact N-O 2.64Å; A291-F306 PolarHBondContact O-N 2.67Å
292	K	86.1	Confident	78.2	Confident	74 Å²	74	66.1 Å²	66.1	32%	0.322	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.9	-179.1	177.5	174	-173.6	-146	0	110.5	D277 E294 S303 E305	D277-K292 WeakPolarHBondContact CB-O 3.22Å; D277-K292 PolarHBondContact O-N 2.83Å; K292-E294 WeakPolarHBondContact CE-OE1 3.07Å; K292-E294 IonicContact NZ-OE1 2.67Å; K292-E294 PolarHBondContact NZ-OE1 3.15Å; K292-S303 WeakPolarHBondContact CE-OG 3.41Å; K292-E305 HydrophobicContact CB-CG 3.92Å; K292-E305 HydrophobicContact CD-CG 4.04Å; K292-E305 WeakPolarHBondContact CD-OE1 3.35Å; K292-E305 WeakPolarHBondContact CE-OE1 3.35Å; K292-E305 HydrophobicContact CG-CG 3.69Å
293	K	77.6	Confident	77.7	Confident	85 Å²	85	68.4 Å²	68.4	37%	0.37	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.1	178.6	-173.3	168.6	-176	170.9	0	111.1	G272 F273 R304	G272-K293 PolarHBondContact O-NZ 2.81Å; F273-K293 HydrophobicContact CD1-CB 4.12Å; F273-K293 HydrophobicContact CE1-CB 3.85Å; K293-R304 PolarHBondContact N-O 3.48Å; K293-R304 PolarHBondContact O-N 3.01Å
294	E	81.6	Confident	77.3	Confident	115 Å²	115	74.1 Å²	74.1	54%	0.537	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.9	170.4	-65.5	-171.9	-171.8	0	0	110	K292 C302	K292-E294 WeakPolarHBondContact CE-OE1 3.07Å; K292-E294 IonicContact NZ-OE1 2.67Å; K292-E294 PolarHBondContact NZ-OE1 3.15Å; E294-C302 CarbonylContact C-O 3.52Å; E294-C302 WeakPolarHBondContact CA-O 3.45Å
295	T	72.8	Confident	77.4	Confident	66 Å²	66	71.3 Å²	71.3	41%	0.405	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.3	174.7	-52.6	0	0	0	0	108.7	T297 C302	T295-T297 HydrophobicContact CG2-CG2 4.25Å; T295-C302 PolarHBondContact N-O 3.5Å; T295-C302 PolarHBondContact O-N 2.81Å
296	T	78.3	Confident	77.4	Confident	97 Å²	97	70.3 Å²	70.3	60%	0.595	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.9	172.7	-56.9	0	0	0	0	109	K301	T296-K301 HydrophobicContact CG2-CG 4.21Å
297	T	73.2	Confident	77	Confident	89 Å²	89	68.2 Å²	68.2	55%	0.546	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	168.5	171.6	64.2	0	0	0	0	109.4	T295 G299 G300	T295-T297 HydrophobicContact CG2-CG2 4.25Å; T297-G299 PolarHBondContact O-N 3.34Å; T297-G300 PolarHBondContact N-O 3.12Å; T297-G300 PolarHBondContact O-N 3.42Å; T297-G300 VanDerWaalsContact O-O 3.08Å; T297-G300 PolarHBondContact OG1-O 2.88Å
298	D	76.4	Confident	76.5	Confident	185 Å²	185	69 Å²	69	99%	0.989	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.2	-179.4	-57.4	-26.2	0	0	0	113.4
299	G	72.4	Confident	76	Confident	82 Å²	82	69 Å²	69	85%	0.845	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.9	176.5	0	0	0	0	0	115.6	T297	T297-G299 PolarHBondContact O-N 3.34Å
300	G	74.3	Confident	75.5	Confident	37 Å²	37	69.2 Å²	69.2	38%	0.381	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.5	-172.9	176.4	0	0	0	0	0	115.4	T297	T297-G300 PolarHBondContact N-O 3.12Å; T297-G300 PolarHBondContact O-N 3.42Å; T297-G300 VanDerWaalsContact O-O 3.08Å; T297-G300 PolarHBondContact OG1-O 2.88Å
301	K	74.3	Confident	75.1	Confident	163 Å²	163	69.8 Å²	69.8	71%	0.709	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.1	174.6	-64.7	-171.9	174.6	-171.4	0	110.3	T296	T296-K301 HydrophobicContact CG2-CG 4.21Å
302	C	69	Low	75.1	Confident	60 Å²	60	70.4 Å²	70.4	41%	0.405	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.1	171.2	-179.2	0	0	0	0	108.9	E294 T295	E294-C302 CarbonylContact C-O 3.52Å; E294-C302 WeakPolarHBondContact CA-O 3.45Å; T295-C302 PolarHBondContact N-O 3.5Å; T295-C302 PolarHBondContact O-N 2.81Å
303	S	75.3	Confident	75	Confident	57 Å²	57	67.5 Å²	67.5	40%	0.399	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.8	168.9	-177.3	0	0	0	0	108.5	K292	K292-S303 WeakPolarHBondContact CE-OG 3.41Å
304	R	70.4	Confident	75.4	Confident	143 Å²	143	70.1 Å²	70.1	54%	0.54	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.6	169.2	-62.8	-178.7	-175.3	163.4	-0.6	109	K293 F306	K293-R304 PolarHBondContact N-O 3.48Å; K293-R304 PolarHBondContact O-N 3.01Å; R304-F306 HydrophobicContact CB-CD2 4.45Å; R304-F306 HydrophobicContact CB-CE2 3.68Å; R304-F306 HydrophobicContact CB-CZ 4.44Å
305	E	74.9	Confident	75.7	Confident	66 Å²	66	65.2 Å²	65.2	31%	0.308	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.7	178.5	-66.5	-171.8	-155.6	0	0	109.7	P82 L83 H290 A291 K292	P82-E305 CarbonylContact C-O 3.58Å; P82-E305 WeakPolarHBondContact CA-O 3.4Å; L83-E305 HydrophobicContact CB-CB 4.07Å; L83-E305 HydrophobicContact CD1-CB 3.93Å; L83-E305 HydrophobicContact CG-CB 4.46Å; L83-E305 PolarHBondContact N-O 2.66Å; H290-E305 IonicContact CE1-OE2 3.35Å; H290-E305 PolarHBondContact CE1-OE2 3.4Å; H290-E305 IonicContact NE2-OE2 2.81Å; H290-E305 PolarHBondContact NE2-OE2 3.08Å; A291-E305 CarbonylContact O-C 3.57Å; A291-E305 WeakPolarHBondContact O-CA 3.31Å; K292-E305 HydrophobicContact CB-CG 3.92Å; K292-E305 HydrophobicContact CD-CG 4.04Å; K292-E305 WeakPolarHBondContact CD-OE1 3.35Å; K292-E305 WeakPolarHBondContact CE-OE1 3.35Å; K292-E305 HydrophobicContact CG-CG 3.69Å
306	F	73.9	Confident	76.5	Confident	33 Å²	33	62.2 Å²	62.2	15%	0.145	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.4	-177.7	-62.9	-107.7	0	0	0	109.5	L80 L81 P82 F273 H290 A291 R304	L80-F306 HydrophobicContact CB-CB 3.82Å; L81-F306 CarbonylContact O-C 3.54Å; L81-F306 WeakPolarHBondContact O-CA 3.35Å; P82-F306 HydrophobicContact CB-CD1 3.94Å; P82-F306 HydrophobicContact CB-CE1 3.77Å; P82-F306 HydrophobicContact CB-CZ 4.39Å; P82-F306 HydrophobicContact CG-CE1 4.45Å; F273-F306 AromaticContact CE1-CD2 3.97Å; F273-F306 HydrophobicContact CE1-CD2 3.97Å; F273-F306 HydrophobicContact CE1-CE2 4.36Å; F273-F306 HydrophobicContact CZ-CB 4.35Å; F273-F306 AromaticContact CZ-CD2 3.45Å; F273-F306 HydrophobicContact CZ-CD2 3.45Å; F273-F306 VanDerWaalsContact CZ-CD2 3.45Å; F273-F306 AromaticContact CZ-CE2 3.79Å; F273-F306 HydrophobicContact CZ-CE2 3.79Å; F273-F306 AromaticContact CZ-CG 3.93Å; F273-F306 HydrophobicContact CZ-CG 3.93Å; H290-F306 CarbonylContact C-O 3.6Å; H290-F306 WeakPolarHBondContact CA-O 3.47Å; A291-F306 PolarHBondContact N-O 2.64Å; A291-F306 PolarHBondContact O-N 2.67Å; R304-F306 HydrophobicContact CB-CD2 4.45Å; R304-F306 HydrophobicContact CB-CE2 3.68Å; R304-F306 HydrophobicContact CB-CZ 4.44Å
307	C	70.8	Confident	77.1	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.2	-177.7	-171.8	0	0	0	0	111.6	L81 L83 V289	L81-C307 PolarHBondContact N-O 3.01Å; L81-C307 PolarHBondContact O-N 2.75Å; L83-C307 HydrophobicContact CD1-CB 3.95Å; L83-C307 HydrophobicContact CD2-CB 3.69Å; L83-C307 HydrophobicContact CG-CB 3.81Å; V289-C307 CarbonylContact O-C 3.54Å; V289-C307 VanDerWaalsContact O-CA 3.27Å; V289-C307 WeakPolarHBondContact O-CA 3.5Å
308	R	72.3	Confident	77.8	Confident	16 Å²	16	58.2 Å²	58.2	6%	0.06	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.5	162.3	-172.2	69.9	-177.7	-169.8	1.5	109.6	F78 L80 G244 F268 V289	F78-R308 HydrophobicContact CB-CG 4.06Å; F78-R308 HydrophobicContact CG-CG 4.38Å; L80-R308 HydrophobicContact CD2-CB 3.77Å; G244-R308 PolarHBondContact O-NH2 2.68Å; F268-R308 HydrophobicContact CD1-CB 4.06Å; F268-R308 HydrophobicContact CD1-CG 4.07Å; F268-R308 HydrophobicContact CE1-CB 3.98Å; F268-R308 HydrophobicContact CE1-CG 3.8Å; V289-R308 PolarHBondContact N-O 3.14Å; V289-R308 PolarHBondContact O-N 2.81Å
309	M	70.8	Confident	78.4	Confident	20 Å²	20	53.6 Å²	53.6	10%	0.099	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.3	-179.6	-178.7	171.2	-91.3	0	0	109.4	F95 M98 R286 V287 T288	F95-M309 HydrophobicContact CD1-CE 3.47Å; F95-M309 VanDerWaalsContact CD1-CE 3.47Å; F95-M309 HydrophobicContact CD1-SD 3.58Å; F95-M309 VanDerWaalsContact CD1-SD 3.58Å; F95-M309 HydrophobicContact CE1-CE 3.25Å; F95-M309 HydrophobicContact CE1-SD 3.94Å; F95-M309 HydrophobicContact CG-CE 4.24Å; F95-M309 HydrophobicContact CG-SD 4.38Å; F95-M309 HydrophobicContact CZ-CE 3.87Å; M98-M309 HydrophobicContact CE-CB 4.2Å; R286-M309 WeakPolarHBondContact CD-SD 3.39Å; R286-M309 HydrophobicContact CG-CE 4.45Å; R286-M309 HydrophobicContact CG-CG 3.66Å; R286-M309 HydrophobicContact CG-SD 4.21Å; V287-M309 WeakPolarHBondContact O-CA 3.42Å; T288-M309 HydrophobicContact CG2-CE 4.37Å; T288-M309 VanDerWaalsContact OG1-CE 3.24Å; T288-M309 WeakPolarHBondContact OG1-CE 3.38Å
310	V	73.7	Confident	79.4	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.8	-179.6	-179.7	0	0	0	0	108.8	F78 F249 F268 R286 V287	F78-V310 HydrophobicContact CD2-CG2 3.83Å; F78-V310 HydrophobicContact CE1-CG2 4.43Å; F78-V310 HydrophobicContact CE2-CB 4.5Å; F78-V310 HydrophobicContact CE2-CG1 4.16Å; F78-V310 HydrophobicContact CE2-CG2 3.46Å; F78-V310 VanDerWaalsContact CE2-CG2 3.46Å; F78-V310 HydrophobicContact CG-CG2 4.44Å; F78-V310 HydrophobicContact CZ-CG1 4.28Å; F78-V310 HydrophobicContact CZ-CG2 3.78Å; F249-V310 HydrophobicContact CE1-CG1 4.02Å; F249-V310 HydrophobicContact CE2-CG1 3.9Å; F249-V310 HydrophobicContact CZ-CG1 3.51Å; F268-V310 HydrophobicContact CE1-CG2 3.77Å; F268-V310 HydrophobicContact CZ-CG2 3.64Å; R286-V310 WeakPolarHBondContact CA-O 3.41Å; R286-V310 WeakPolarHBondContact CG-O 3.46Å; V287-V310 PolarHBondContact N-O 3.3Å; V287-V310 PolarHBondContact O-N 2.81Å
311	Q	75.6	Confident	80.4	Confident	63 Å²	63	53.2 Å²	53.2	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.6	171.6	-61	-69.5	0.8	0	0	109.1	N285	N285-Q311 PolarHBondContact O-OE1 3.42Å
312	L	82.7	Confident	81.4	Confident	14 Å²	14	51.2 Å²	51.2	7%	0.073	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-94.6	123.8	177.7	-61.8	175.7	0	0	0	110	F264 N285 V287 I316 D318 L321	F264-L312 HydrophobicContact CE1-CD2 3.68Å; F264-L312 HydrophobicContact CZ-CD2 4Å; N285-L312 WeakPolarHBondContact O-CA 3.47Å; N285-L312 WeakPolarHBondContact O-CB 3.34Å; N285-L312 PolarHBondContact O-N 3.44Å; V287-L312 HydrophobicContact CG2-CD1 3.85Å; V287-L312 HydrophobicContact CG2-CD2 3.97Å; V287-L312 HydrophobicContact CG2-CG 4.09Å; L312-I316 HydrophobicContact CB-CD1 4.27Å; L312-I316 HydrophobicContact CD2-CD1 4.27Å; L312-D318 HydrophobicContact CD1-CB 4.13Å; L312-L321 HydrophobicContact CD1-CD1 3.71Å
313	P	85.2	Confident	82.7	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.084	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-50.3	145.6	162.1	-29.4	31.5	0	0	0	114.5	L250 Y254 F264 S315 I316 D450	L250-P313 HydrophobicContact CD1-CG 4.28Å; L250-P313 HydrophobicContact CD2-CG 3.31Å; L250-P313 HydrophobicContact CG-CG 4.47Å; Y254-P313 VanDerWaalsContact OH-CB 3.24Å; Y254-P313 WeakPolarHBondContact OH-CB 3.46Å; Y254-P313 WeakPolarHBondContact OH-CG 3.17Å; F264-P313 HydrophobicContact CE2-CG 4.41Å; P313-S315 PolarHBondContact O-N 2.78Å; P313-I316 HydrophobicContact CB-CD1 3.85Å; P313-I316 HydrophobicContact CB-CG1 4.24Å; P313-I316 VanDerWaalsContact CD-CD1 3.47Å; P313-I316 HydrophobicContact CG-CD1 3.89Å; P313-I316 PolarHBondContact O-N 3.47Å; P313-D450 HydrophobicContact CB-CB 4.1Å; P313-D450 WeakPolarHBondContact CB-OD2 3.49Å
314	K	85.5	Confident	83.8	Confident	139 Å²	139	46.7 Å²	46.7	60%	0.604	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.2	179.2	-65.6	170.4	-173.4	117.9	0	113.5	I316 E470	K314-I316 PolarHBondContact O-N 3Å; K314-E470 IonicContact NZ-OE1 3.6Å; K314-E470 PolarHBondContact NZ-OE1 2.81Å; K314-E470 IonicContact NZ-OE2 2.76Å; K314-E470 PolarHBondContact NZ-OE2 3.35Å
315	S	87.7	Confident	85	Confident	13 Å²	13	40.2 Å²	40.2	9%	0.091	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-0.5	176.5	62	0	0	0	0	114.2	Y254 P313 V337 K338 D450	Y254-S315 PolarHBondContact OH-OG 3.48Å; P313-S315 PolarHBondContact O-N 2.78Å; S315-V337 CarbonylContact O-C 3.56Å; S315-V337 WeakPolarHBondContact O-CA 3.44Å; S315-K338 WeakPolarHBondContact O-CB 3.39Å; S315-K338 PolarHBondContact O-N 2.81Å; S315-D450 WeakPolarHBondContact CB-OD2 3.35Å; S315-D450 PolarHBondContact OG-OD1 2.92Å; S315-D450 PolarHBondContact OG-OD2 2.83Å
316	I	90.4	Very high	86.1	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-96.9	140.8	-179	-57.6	160.1	0	0	0	109.8	Y254 F264 L312 P313 K314 D318 A335 K338	Y254-I316 HydrophobicContact CE1-CG1 4.45Å; F264-I316 HydrophobicContact CB-CD1 4.02Å; F264-I316 HydrophobicContact CB-CG1 3.82Å; F264-I316 HydrophobicContact CB-CG2 4.16Å; F264-I316 HydrophobicContact CD1-CD1 3.61Å; F264-I316 HydrophobicContact CD1-CG1 4.27Å; F264-I316 HydrophobicContact CD1-CG2 4.28Å; F264-I316 HydrophobicContact CD2-CD1 3.35Å; F264-I316 HydrophobicContact CD2-CG1 3.96Å; F264-I316 HydrophobicContact CE1-CD1 3.73Å; F264-I316 HydrophobicContact CE2-CD1 3.46Å; F264-I316 VanDerWaalsContact CE2-CD1 3.46Å; F264-I316 HydrophobicContact CG-CD1 3.39Å; F264-I316 HydrophobicContact CG-CG1 3.78Å; F264-I316 HydrophobicContact CG-CG2 4.38Å; F264-I316 HydrophobicContact CZ-CD1 3.63Å; L312-I316 HydrophobicContact CB-CD1 4.27Å; L312-I316 HydrophobicContact CD2-CD1 4.27Å; P313-I316 HydrophobicContact CB-CD1 3.85Å; P313-I316 HydrophobicContact CB-CG1 4.24Å; P313-I316 VanDerWaalsContact CD-CD1 3.47Å; P313-I316 HydrophobicContact CG-CD1 3.89Å; P313-I316 PolarHBondContact O-N 3.47Å; K314-I316 PolarHBondContact O-N 3Å; I316-D318 VanDerWaalsContact C-N 3.31Å; I316-D318 PolarHBondContact O-N 3.49Å; I316-D318 VanDerWaalsContact O-N 3.1Å; I316-A335 HydrophobicContact CG2-CB 3.44Å; I316-A335 VanDerWaalsContact CG2-CB 3.44Å; I316-K338 WeakPolarHBondContact O-CD 3.22Å; I316-K338 VanDerWaalsContact O-CE 3.26Å; I316-K338 WeakPolarHBondContact O-CE 3.38Å; I316-K338 PolarHBondContact O-NZ 2.86Å
317	D	90.2	Very high	87.1	Confident	42 Å²	42	39.4 Å²	39.4	23%	0.225	20%	0.2	C	C	.	.			trans	-80.9	82.5	164.9	-166.5	0.6	0	0	0	110.9	S319 Q320 A335 P336 K338	D317-S319 PolarHBondContact O-N 2.85Å; D317-S319 VanDerWaalsContact O-N 3.17Å; D317-S319 WeakPolarHBondContact OD1-CB 3.48Å; D317-S319 PolarHBondContact OD1-N 2.9Å; D317-S319 PolarHBondContact OD1-OG 3.08Å; D317-Q320 HydrophobicContact CB-CB 4.42Å; D317-Q320 HydrophobicContact CB-CG 4.39Å; D317-Q320 PolarHBondContact O-N 3.01Å; D317-Q320 VanDerWaalsContact OD2-CG 3.28Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.42Å; D317-A335 WeakPolarHBondContact O-CB 3.29Å; D317-P336 HydrophobicContact CB-CG 4.21Å; D317-P336 PolarHBondContact N-O 2.85Å; D317-K338 HydrophobicContact CB-CG 4.23Å
318	D	88	Confident	88.2	Confident	61 Å²	61	41.2 Å²	41.2	33%	0.326	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-55.4	-24.6	175.6	61.2	-51.7	0	0	0	113.6	L312 I316 Q320 L321 K338	L312-D318 HydrophobicContact CD1-CB 4.13Å; I316-D318 VanDerWaalsContact C-N 3.31Å; I316-D318 PolarHBondContact O-N 3.49Å; I316-D318 VanDerWaalsContact O-N 3.1Å; D318-Q320 PolarHBondContact O-N 2.85Å; D318-L321 HydrophobicContact CB-CD1 4.17Å; D318-L321 WeakPolarHBondContact O-CD1 3.33Å; D318-L321 PolarHBondContact O-N 3.07Å; D318-K338 IonicContact OD1-NZ 2.68Å; D318-K338 PolarHBondContact OD1-NZ 3.33Å
319	S	89.8	Confident	89.2	Confident	88 Å²	88	40.7 Å²	40.7	62%	0.615	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-70.2	-17.9	174.3	80.6	0	0	0	0	113.7	D317	D317-S319 PolarHBondContact O-N 2.85Å; D317-S319 VanDerWaalsContact O-N 3.17Å; D317-S319 WeakPolarHBondContact OD1-CB 3.48Å; D317-S319 PolarHBondContact OD1-N 2.9Å; D317-S319 PolarHBondContact OD1-OG 3.08Å
320	Q	92.8	Very high	90.3	Very high	94 Å²	94	39.9 Å²	39.9	44%	0.439	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-107	12.8	-179	-64.7	-64.5	-36.8	0	0	112.8	D317 D318 K322 P336	D317-Q320 HydrophobicContact CB-CB 4.42Å; D317-Q320 HydrophobicContact CB-CG 4.39Å; D317-Q320 PolarHBondContact O-N 3.01Å; D317-Q320 VanDerWaalsContact OD2-CG 3.28Å; D317-Q320 WeakPolarHBondContact OD2-CG 3.42Å; D318-Q320 PolarHBondContact O-N 2.85Å; Q320-K322 PolarHBondContact O-N 3.35Å; Q320-P336 HydrophobicContact CB-CG 3.78Å; Q320-P336 HydrophobicContact CG-CG 4.19Å
321	L	94.6	Very high	91.4	Very high	17 Å²	17	39.7 Å²	39.7	9%	0.089	20%	0.203	C	C	.	.			trans	-59.3	126	178	-83.5	164.6	0	0	0	112.2	I12 V287 L312 D318 E334 A335	I12-L321 HydrophobicContact CD1-CB 3.72Å; I12-L321 HydrophobicContact CD1-CD1 4.11Å; I12-L321 HydrophobicContact CD1-CG 4.5Å; V287-L321 HydrophobicContact CG2-CD1 3.92Å; L312-L321 HydrophobicContact CD1-CD1 3.71Å; D318-L321 HydrophobicContact CB-CD1 4.17Å; D318-L321 WeakPolarHBondContact O-CD1 3.33Å; D318-L321 PolarHBondContact O-N 3.07Å; L321-E334 WeakPolarHBondContact CA-O 3.39Å; L321-A335 HydrophobicContact CD2-CB 3.73Å; L321-A335 HydrophobicContact CG-CB 4Å
322	K	96.2	Very high	92.4	Very high	120 Å²	120	36.9 Å²	36.9	52%	0.522	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.5	174.5	-66.5	170.9	-171.2	172	0	109.5	Q320 L333 E334	Q320-K322 PolarHBondContact O-N 3.35Å; K322-L333 WeakPolarHBondContact O-CA 3.42Å; K322-E334 HydrophobicContact CB-CG 4.2Å; K322-E334 PolarHBondContact N-O 2.77Å; K322-E334 PolarHBondContact O-N 2.82Å
323	C	97	Very high	93	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.6	172.3	-168.6	0	0	0	0	110.7	I12 N15 L331 M332 L333	I12-C323 HydrophobicContact CG2-CB 3.7Å; N15-C323 PolarHBondContact N-O 3.45Å; N15-C323 PolarHBondContact ND2-O 3.06Å; C323-L331 WeakPolarHBondContact SG-CD1 3.33Å; C323-M332 WeakPolarHBondContact CA-O 3.05Å; C323-L333 HydrophobicContact CB-CD2 3.56Å; C323-L333 VanDerWaalsContact SG-CD2 3.55Å
324	R	96.4	Very high	93.5	Very high	22 Å²	22	36.9 Å²	36.9	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.5	173.3	36.4	171.8	162.6	177	-5.3	111.5	N15 E17 Q24 E258 L331 M332 E334	N15-R324 CarbonylContact O-C 3.58Å; N15-R324 WeakPolarHBondContact O-CA 3.47Å; E17-R324 HydrophobicContact CG-CB 4.17Å; E17-R324 WeakPolarHBondContact OE1-CD 3.05Å; E17-R324 IonicContact OE1-CZ 3.75Å; E17-R324 IonicContact OE1-NE 3.06Å; E17-R324 IonicContact OE1-NH1 2.95Å; E17-R324 PolarHBondContact OE1-NH1 2.77Å; Q24-R324 VanDerWaalsContact NE2-NH1 3.19Å; E258-R324 IonicContact OE1-CZ 2.87Å; E258-R324 IonicContact OE1-NH1 2.78Å; E258-R324 PolarHBondContact OE1-NH1 2.92Å; E258-R324 VanDerWaalsContact OE1-NH1 3.08Å; E258-R324 IonicContact OE1-NH2 2.68Å; E258-R324 PolarHBondContact OE1-NH2 3.16Å; R324-L331 CarbonylContact O-C 3.46Å; R324-M332 HydrophobicContact CG-CB 4.33Å; R324-M332 PolarHBondContact N-O 3.09Å; R324-M332 PolarHBondContact O-N 3.32Å; R324-E334 IonicContact CZ-OE1 3.53Å; R324-E334 IonicContact CZ-OE2 3.21Å; R324-E334 IonicContact NE-OE1 2.99Å; R324-E334 PolarHBondContact NE-OE1 3.44Å; R324-E334 IonicContact NE-OE2 3.02Å; R324-E334 IonicContact NH2-OE1 3.15Å; R324-E334 PolarHBondContact NH2-OE1 2.86Å; R324-E334 IonicContact NH2-OE2 3.41Å; R324-E334 PolarHBondContact NH2-OE2 2.91Å
325	M	97.2	Very high	94	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.034	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.1	178.5	-170.8	174.7	-175.7	0	0	110.4	V14 N15 E17 A270 F273 P275 I278 V330 L331	V14-M325 HydrophobicContact CG1-CB 3.85Å; N15-M325 PolarHBondContact O-N 3.4Å; E17-M325 PolarHBondContact N-O 3.36Å; A270-M325 HydrophobicContact CB-CE 4Å; A270-M325 WeakPolarHBondContact O-CE 3.37Å; F273-M325 VanDerWaalsContact O-CE 3.28Å; F273-M325 WeakPolarHBondContact O-CE 3.49Å; P275-M325 HydrophobicContact CB-SD 4.47Å; P275-M325 HydrophobicContact CG-SD 3.9Å; I278-M325 HydrophobicContact CD1-CE 4Å; I278-M325 HydrophobicContact CD1-SD 3.73Å; M325-V330 WeakPolarHBondContact CA-O 3.44Å; M325-L331 HydrophobicContact CB-CD1 3.96Å; M325-L331 HydrophobicContact CG-CD1 4.28Å; M325-L331 HydrophobicContact SD-CD1 4.46Å
326	T	97.3	Very high	94.2	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	160.4	177.5	62.8	0	0	0	0	111.8	R19 F21 D328 G329 V330	R19-T326 WeakPolarHBondContact O-CA 3.18Å; R19-T326 VanDerWaalsContact O-CB 3.24Å; R19-T326 WeakPolarHBondContact O-CB 3.38Å; F21-T326 HydrophobicContact CB-CG2 4.29Å; T326-D328 VanDerWaalsContact CB-OD1 3.3Å; T326-D328 WeakPolarHBondContact CB-OD1 3.25Å; T326-D328 PolarHBondContact O-N 3.29Å; T326-D328 PolarHBondContact OG1-OD1 2.8Å; T326-G329 PolarHBondContact O-N 2.85Å; T326-V330 PolarHBondContact N-O 3.15Å; T326-V330 WeakPolarHBondContact OG1-CB 3.37Å; T326-V330 PolarHBondContact OG1-N 2.93Å; T326-V330 PolarHBondContact OG1-O 3.28Å
327	D	94.6	Very high	94.3	Very high	76 Å²	76	32.6 Å²	32.6	41%	0.406	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.5	177.9	-78	-36.3	0	0	0	113.4	R16 E17 Q18 R19 G329	R16-D327 IonicContact CZ-OD1 3.24Å; R16-D327 VanDerWaalsContact CZ-OD1 3.24Å; R16-D327 IonicContact NE-OD1 2.93Å; R16-D327 PolarHBondContact NE-OD1 2.88Å; R16-D327 IonicContact NH2-OD1 2.7Å; R16-D327 PolarHBondContact NH2-OD1 3.42Å; E17-D327 PolarHBondContact O-N 3.09Å; Q18-D327 WeakPolarHBondContact CA-OD2 3.5Å; R19-D327 PolarHBondContact N-OD2 2.82Å; R19-D327 PolarHBondContact O-N 3.41Å; D327-G329 VanDerWaalsContact C-N 3.33Å
328	D	93.8	Very high	94.1	Very high	48 Å²	48	35.5 Å²	35.5	26%	0.257	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	10.4	172.8	69	-32.4	0	0	0	113.8	S20 F21 R74 T326	S20-D328 VanDerWaalsContact CA-OD1 3.28Å; S20-D328 WeakPolarHBondContact CA-OD1 3.29Å; F21-D328 PolarHBondContact N-OD1 2.65Å; F21-D328 PolarHBondContact N-OD2 3.41Å; R74-D328 IonicContact CZ-OD2 2.75Å; R74-D328 IonicContact NH1-OD2 2.96Å; R74-D328 IonicContact NH2-OD2 2.7Å; R74-D328 PolarHBondContact NH2-OD2 2.89Å; T326-D328 VanDerWaalsContact CB-OD1 3.3Å; T326-D328 WeakPolarHBondContact CB-OD1 3.25Å; T326-D328 PolarHBondContact O-N 3.29Å; T326-D328 PolarHBondContact OG1-OD1 2.8Å
329	G	93.1	Very high	93.5	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	90.2	9.2	168.9	0	0	0	0	0	116.2	A270 Q271 T326 D327 L331	A270-G329 CarbonylContact C-O 3.5Å; A270-G329 VanDerWaalsContact C-O 3.23Å; A270-G329 WeakPolarHBondContact CA-O 3.45Å; A270-G329 PolarHBondContact N-O 3.24Å; Q271-G329 PolarHBondContact N-O 2.86Å; T326-G329 PolarHBondContact O-N 2.85Å; D327-G329 VanDerWaalsContact C-N 3.33Å; G329-L331 PolarHBondContact O-N 3.34Å
330	V	95	Very high	92.7	Very high	3 Å²	3	33 Å²	33	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.5	175.7	-175.9	0	0	0	0	109.2	F21 M77 R267 M325 T326	F21-V330 HydrophobicContact CB-CB 4.04Å; F21-V330 HydrophobicContact CB-CG2 3.64Å; F21-V330 HydrophobicContact CD1-CG2 4.41Å; F21-V330 HydrophobicContact CD2-CG1 4.21Å; F21-V330 HydrophobicContact CG-CB 4.33Å; F21-V330 HydrophobicContact CG-CG1 4.29Å; F21-V330 HydrophobicContact CG-CG2 4.01Å; M77-V330 HydrophobicContact CE-CB 4.34Å; M77-V330 HydrophobicContact CE-CG1 3.65Å; M77-V330 HydrophobicContact CE-CG2 3.68Å; M77-V330 HydrophobicContact SD-CG1 4.06Å; M77-V330 HydrophobicContact SD-CG2 3.9Å; R267-V330 HydrophobicContact CB-CG1 4.14Å; R267-V330 HydrophobicContact CG-CG1 4.33Å; M325-V330 WeakPolarHBondContact CA-O 3.44Å; T326-V330 PolarHBondContact N-O 3.15Å; T326-V330 WeakPolarHBondContact OG1-CB 3.37Å; T326-V330 PolarHBondContact OG1-N 2.93Å; T326-V330 PolarHBondContact OG1-O 3.28Å
331	L	96	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.6	171.4	-172.6	79	0	0	0	108.5	V14 R267 F268 A270 I278 V280 V289 C323 R324 M325 G329	V14-L331 HydrophobicContact CG1-CD1 3.51Å; V14-L331 HydrophobicContact CG2-CD1 4.27Å; R267-L331 CarbonylContact C-O 3.56Å; R267-L331 WeakPolarHBondContact CA-O 3.41Å; F268-L331 HydrophobicContact CB-CB 4.25Å; F268-L331 HydrophobicContact CD2-CD2 4.28Å; F268-L331 PolarHBondContact N-O 3.37Å; F268-L331 PolarHBondContact O-N 2.66Å; A270-L331 HydrophobicContact CB-CB 4.01Å; I278-L331 HydrophobicContact CD1-CD1 4.24Å; I278-L331 HydrophobicContact CG2-CD2 4.01Å; V280-L331 HydrophobicContact CG2-CD2 4.27Å; V289-L331 HydrophobicContact CB-CD2 4.49Å; V289-L331 HydrophobicContact CG1-CD2 3.5Å; V289-L331 VanDerWaalsContact CG1-CD2 3.5Å; V289-L331 HydrophobicContact CG2-CD2 4.13Å; C323-L331 WeakPolarHBondContact SG-CD1 3.33Å; R324-L331 CarbonylContact O-C 3.46Å; M325-L331 HydrophobicContact CB-CD1 3.96Å; M325-L331 HydrophobicContact CG-CD1 4.28Å; M325-L331 HydrophobicContact SD-CD1 4.46Å; G329-L331 PolarHBondContact O-N 3.34Å
332	M	96.3	Very high	89.8	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.1	-178.5	-177.2	-177.7	-58.4	0	0	110.2	F21 K265 V266 R267 C323 R324	F21-M332 HydrophobicContact CD2-CE 4.04Å; F21-M332 HydrophobicContact CE2-CE 3.77Å; K265-M332 HydrophobicContact CD-SD 4.38Å; V266-M332 WeakPolarHBondContact O-CA 3.41Å; R267-M332 HydrophobicContact CG-CE 4.14Å; R267-M332 HydrophobicContact CG-CG 4.31Å; C323-M332 WeakPolarHBondContact CA-O 3.05Å; R324-M332 HydrophobicContact CG-CB 4.33Å; R324-M332 PolarHBondContact N-O 3.09Å; R324-M332 PolarHBondContact O-N 3.32Å
333	L	95.6	Very high	88.9	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.5	165.7	-59.5	172.1	0	0	0	108.9	K265 V266 F268 V280 V287 V289 K322 C323	K265-L333 WeakPolarHBondContact CA-O 3.46Å; V266-L333 HydrophobicContact CG2-CB 3.79Å; V266-L333 HydrophobicContact CG2-CD1 4.05Å; V266-L333 HydrophobicContact CG2-CG 4.36Å; V266-L333 PolarHBondContact N-O 3.33Å; V266-L333 PolarHBondContact O-N 2.78Å; F268-L333 HydrophobicContact CE2-CD1 3.61Å; F268-L333 HydrophobicContact CE2-CG 3.99Å; F268-L333 HydrophobicContact CZ-CD1 4.04Å; V280-L333 HydrophobicContact CG1-CD1 4.43Å; V280-L333 HydrophobicContact CG1-CD2 3.68Å; V287-L333 HydrophobicContact CB-CD1 3.94Å; V287-L333 HydrophobicContact CG1-CD1 3.49Å; V287-L333 VanDerWaalsContact CG1-CD1 3.49Å; V287-L333 HydrophobicContact CG2-CD1 4.16Å; V289-L333 HydrophobicContact CG2-CD1 4.44Å; K322-L333 WeakPolarHBondContact O-CA 3.42Å; C323-L333 HydrophobicContact CB-CD2 3.56Å; C323-L333 VanDerWaalsContact SG-CD2 3.55Å
334	E	96	Very high	88.4	Confident	25 Å²	25	34.9 Å²	34.9	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.6	175.7	72.6	-170.6	154.2	0	0	112.9	F264 K265 L321 K322 R324	F264-E334 CarbonylContact O-C 3.56Å; F264-E334 WeakPolarHBondContact O-CA 3.44Å; K265-E334 VanDerWaalsContact CE-OE2 3.31Å; K265-E334 WeakPolarHBondContact CE-OE2 3.18Å; K265-E334 HydrophobicContact CG-CB 3.9Å; K265-E334 IonicContact NZ-OE2 2.69Å; L321-E334 WeakPolarHBondContact CA-O 3.39Å; K322-E334 HydrophobicContact CB-CG 4.2Å; K322-E334 PolarHBondContact N-O 2.77Å; K322-E334 PolarHBondContact O-N 2.82Å; R324-E334 IonicContact CZ-OE1 3.53Å; R324-E334 IonicContact CZ-OE2 3.21Å; R324-E334 IonicContact NE-OE1 2.99Å; R324-E334 PolarHBondContact NE-OE1 3.44Å; R324-E334 IonicContact NE-OE2 3.02Å; R324-E334 IonicContact NH2-OE1 3.15Å; R324-E334 PolarHBondContact NH2-OE1 2.86Å; R324-E334 IonicContact NH2-OE2 3.41Å; R324-E334 PolarHBondContact NH2-OE2 2.91Å
335	A	95.3	Very high	88.1	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	150.1	172	0	0	0	0	0	110.9	F264 I316 D317 L321	F264-A335 PolarHBondContact N-O 3.5Å; F264-A335 PolarHBondContact O-N 2.82Å; I316-A335 HydrophobicContact CG2-CB 3.44Å; I316-A335 VanDerWaalsContact CG2-CB 3.44Å; D317-A335 WeakPolarHBondContact O-CB 3.29Å; L321-A335 HydrophobicContact CD2-CB 3.73Å; L321-A335 HydrophobicContact CG-CB 4Å
336	P	92.9	Very high	87.9	Confident	45 Å²	45	34 Å²	34	29%	0.292	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	156.5	168.3	29.9	-33.1	0	0	0	110.6	D317 Q320	D317-P336 HydrophobicContact CB-CG 4.21Å; D317-P336 PolarHBondContact N-O 2.85Å; Q320-P336 HydrophobicContact CB-CG 3.78Å; Q320-P336 HydrophobicContact CG-CG 4.19Å
337	V	92.1	Very high	87.6	Confident	19 Å²	19	34.7 Å²	34.7	12%	0.115	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-102.9	142.1	179.6	-60.2	0	0	0	0	112.3	Y254 V262 F264 S315 V339 L452	Y254-V337 HydrophobicContact CD1-CG1 3.87Å; Y254-V337 HydrophobicContact CE1-CG1 3.67Å; V262-V337 HydrophobicContact CB-CG2 4.07Å; V262-V337 HydrophobicContact CG1-CG2 3.99Å; V262-V337 WeakPolarHBondContact O-CG2 3.25Å; F264-V337 HydrophobicContact CB-CG1 4.11Å; S315-V337 CarbonylContact O-C 3.56Å; S315-V337 WeakPolarHBondContact O-CA 3.44Å; V337-V339 VanDerWaalsContact C-N 3.29Å; V337-V339 HydrophobicContact CG2-CG2 3.55Å; V337-V339 PolarHBondContact O-N 3.1Å; V337-L452 HydrophobicContact CB-CD1 3.57Å; V337-L452 HydrophobicContact CG1-CD1 3.65Å; V337-L452 HydrophobicContact CG2-CD1 3.72Å
338	K	87	Confident	87.4	Confident	102 Å²	102	32.2 Å²	32.2	44%	0.443	17%	0.167	S	C	.	.			trans	-76.5	73	172.7	-63.5	164.2	174.9	147.9	0	109.2	S315 I316 D317 D318 D340	S315-K338 WeakPolarHBondContact O-CB 3.39Å; S315-K338 PolarHBondContact O-N 2.81Å; I316-K338 WeakPolarHBondContact O-CD 3.22Å; I316-K338 VanDerWaalsContact O-CE 3.26Å; I316-K338 WeakPolarHBondContact O-CE 3.38Å; I316-K338 PolarHBondContact O-NZ 2.86Å; D317-K338 HydrophobicContact CB-CG 4.23Å; D318-K338 IonicContact OD1-NZ 2.68Å; D318-K338 PolarHBondContact OD1-NZ 3.33Å; K338-D340 PolarHBondContact O-N 3.44Å
339	V	73.9	Confident	86.9	Confident	26 Å²	26	35.8 Å²	35.8	16%	0.158	18%	0.182	C	C	.	.			trans	-72.4	124.9	176.1	-163.1	0	0	0	0	109.8	P46 Y47 V337 Q343 L345	P46-V339 HydrophobicContact CB-CB 4.21Å; P46-V339 HydrophobicContact CB-CG1 3.84Å; P46-V339 HydrophobicContact CG-CB 3.54Å; P46-V339 HydrophobicContact CG-CG1 3.61Å; P46-V339 HydrophobicContact CG-CG2 4.12Å; Y47-V339 HydrophobicContact CE1-CG1 4.25Å; Y47-V339 HydrophobicContact CE1-CG2 3.97Å; V337-V339 VanDerWaalsContact C-N 3.29Å; V337-V339 HydrophobicContact CG2-CG2 3.55Å; V337-V339 PolarHBondContact O-N 3.1Å; V339-Q343 HydrophobicContact CG1-CB 4.02Å; V339-L345 HydrophobicContact CG1-CD1 4.27Å; V339-L345 HydrophobicContact CG1-CG 4.46Å
340	D	72.7	Confident	86.4	Confident	70 Å²	70	37.9 Å²	37.9	37%	0.374	20%	0.196	S	C	.	.			trans	-69.7	138.1	167.8	-174.8	-14.3	0	0	0	109.3	K338 N342 Q343	K338-D340 PolarHBondContact O-N 3.44Å; D340-N342 PolarHBondContact O-N 3.04Å; D340-N342 PolarHBondContact OD1-N 3.35Å; D340-Q343 HydrophobicContact CB-CG 4.2Å; D340-Q343 WeakPolarHBondContact O-CB 3.24Å; D340-Q343 PolarHBondContact O-N 2.77Å
341	Q	62.8	Low	86.1	Confident	176 Å²	176	38.1 Å²	38.1	82%	0.822	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.3	173.8	-62.8	-179.4	2.7	0	0	112.3	Q343	Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 3.18Å
342	N	64.9	Low	85.8	Confident	48 Å²	48	39.1 Å²	39.1	26%	0.257	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	9.8	175.5	-79.9	-22.4	0	0	0	114.8	D340 K358 Q370	D340-N342 PolarHBondContact O-N 3.04Å; D340-N342 PolarHBondContact OD1-N 3.35Å; N342-K358 WeakPolarHBondContact O-CE 3.3Å; N342-K358 PolarHBondContact O-NZ 2.56Å; N342-Q370 PolarHBondContact ND2-OE1 3.48Å
343	Q	76	Confident	85.6	Confident	32 Å²	32	39.2 Å²	39.2	15%	0.15	21%	0.205	C	C	.	.			trans	-96.9	157.1	172.2	-66.7	177.8	13.9	0	0	111.9	V339 D340 Q341 L345 L452	V339-Q343 HydrophobicContact CG1-CB 4.02Å; D340-Q343 HydrophobicContact CB-CG 4.2Å; D340-Q343 WeakPolarHBondContact O-CB 3.24Å; D340-Q343 PolarHBondContact O-N 2.77Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 3.18Å; Q343-L345 HydrophobicContact CB-CD2 4.2Å; Q343-L452 PolarHBondContact NE2-O 2.64Å
344	S	86.6	Confident	85.5	Confident	17 Å²	17	39.3 Å²	39.3	12%	0.119	21%	0.205	C	C	.	.			trans	-133.2	71.8	177.7	-64.3	0	0	0	0	108.1	R356	S344-R356 WeakPolarHBondContact O-CB 3.28Å; S344-R356 PolarHBondContact O-N 3.01Å
345	L	91.1	Very high	85.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.8	-177.5	-52.5	-170	0	0	0	111.3	Y47 T48 V262 V339 Q343 V353 A354 V355 L452	Y47-L345 HydrophobicContact CD1-CB 3.82Å; Y47-L345 HydrophobicContact CD1-CD1 4.06Å; Y47-L345 HydrophobicContact CD1-CG 4.04Å; Y47-L345 HydrophobicContact CE1-CB 4.29Å; Y47-L345 HydrophobicContact CE1-CD1 3.7Å; Y47-L345 HydrophobicContact CE1-CG 4.19Å; T48-L345 WeakPolarHBondContact CG2-O 3.47Å; T48-L345 PolarHBondContact OG1-O 3.12Å; V262-L345 HydrophobicContact CB-CD1 4.42Å; V262-L345 HydrophobicContact CG2-CD1 3.99Å; V339-L345 HydrophobicContact CG1-CD1 4.27Å; V339-L345 HydrophobicContact CG1-CG 4.46Å; Q343-L345 HydrophobicContact CB-CD2 4.2Å; L345-V353 HydrophobicContact CD1-CG1 4.21Å; L345-V353 HydrophobicContact CD2-CG1 4.43Å; L345-A354 WeakPolarHBondContact CA-O 3.23Å; L345-V355 HydrophobicContact CD2-CG2 4.12Å; L345-L452 HydrophobicContact CD1-CD2 3.57Å; L345-L452 HydrophobicContact CD2-CD2 3.85Å; L345-L452 HydrophobicContact CG-CD2 4.39Å
346	T	92.2	Very high	85.4	Confident	10 Å²	10	40.2 Å²	40.2	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-176.9	173.2	-168.6	0	0	0	0	108.8	A354 R356 C408	T346-A354 HydrophobicContact CG2-CB 4.07Å; T346-A354 PolarHBondContact N-O 3.43Å; T346-A354 PolarHBondContact O-N 2.76Å; T346-A354 VanDerWaalsContact O-O 3.11Å; T346-R356 HydrophobicContact CG2-CB 4.22Å; T346-C408 HydrophobicContact CG2-CB 4.36Å
347	L	92.1	Very high	85.5	Confident	20 Å²	20	38.1 Å²	38.1	11%	0.105	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.1	173.7	-58.9	174.3	0	0	0	109.1	W51 T54 W58 V256 Q352 V353	W51-L347 HydrophobicContact CH2-CD1 4.25Å; W51-L347 HydrophobicContact CH2-CD2 4.06Å; W51-L347 HydrophobicContact CH2-CG 4.01Å; W51-L347 HydrophobicContact CZ3-CD1 4.48Å; W51-L347 HydrophobicContact CZ3-CD2 4.28Å; W51-L347 HydrophobicContact CZ3-CG 3.93Å; T54-L347 HydrophobicContact CG2-CB 3.77Å; T54-L347 HydrophobicContact CG2-CD1 4.14Å; T54-L347 HydrophobicContact CG2-CG 3.9Å; W58-L347 HydrophobicContact CB-CD1 3.49Å; W58-L347 VanDerWaalsContact CB-CD1 3.49Å; W58-L347 HydrophobicContact CD2-CD1 4.23Å; W58-L347 HydrophobicContact CG-CD1 3.56Å; V256-L347 HydrophobicContact CG2-CD1 3.99Å; L347-Q352 WeakPolarHBondContact CA-O 3.09Å; L347-V353 HydrophobicContact CD2-CG2 3.82Å
348	N	89.6	Confident	85.5	Confident	25 Å²	25	38 Å²	38	13%	0.134	19%	0.193	C	C	.	.			trans	-79.7	179.1	172.4	72.3	3.3	0	0	0	111.2	S350 G351 Q352 A354	N348-S350 PolarHBondContact ND2-OG 2.98Å; N348-S350 PolarHBondContact O-N 3Å; N348-S350 PolarHBondContact OD1-N 2.93Å; N348-S350 VanDerWaalsContact OD1-N 3.15Å; N348-S350 PolarHBondContact OD1-OG 3.32Å; N348-G351 PolarHBondContact O-N 2.88Å; N348-G351 PolarHBondContact OD1-N 2.88Å; N348-G351 VanDerWaalsContact OD1-N 3.1Å; N348-Q352 PolarHBondContact N-O 3.03Å; N348-Q352 PolarHBondContact ND2-OE1 3Å; N348-Q352 PolarHBondContact OD1-N 2.91Å; N348-Q352 PolarHBondContact OD1-O 3.41Å; N348-A354 HydrophobicContact CB-CB 4.39Å
349	E	83.5	Confident	85.6	Confident	122 Å²	122	34.6 Å²	34.6	57%	0.57	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.3	-178	-53.9	-160.9	166.6	0	0	114.4	G351 R421	E349-G351 VanDerWaalsContact C-N 3.32Å; E349-R421 WeakPolarHBondContact OE1-CD 3.27Å; E349-R421 IonicContact OE1-CZ 2.76Å; E349-R421 IonicContact OE1-NE 3.35Å; E349-R421 IonicContact OE1-NH1 3.67Å; E349-R421 PolarHBondContact OE1-NH1 3.45Å; E349-R421 IonicContact OE2-NH1 3.91Å; E349-R421 PolarHBondContact OE2-NH1 3.26Å
350	S	83.6	Confident	86.4	Confident	49 Å²	49	37.9 Å²	37.9	34%	0.343	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.5	173.6	70.1	0	0	0	0	113.2	R72 N348 Q352	R72-S350 PolarHBondContact NH1-O 2.89Å; N348-S350 PolarHBondContact ND2-OG 2.98Å; N348-S350 PolarHBondContact O-N 3Å; N348-S350 PolarHBondContact OD1-N 2.93Å; N348-S350 VanDerWaalsContact OD1-N 3.15Å; N348-S350 PolarHBondContact OD1-OG 3.32Å; S350-Q352 VanDerWaalsContact C-N 3.35Å; S350-Q352 PolarHBondContact OG-OE1 2.78Å
351	G	88.2	Confident	87.1	Confident	9 Å²	9	40.2 Å²	40.2	9%	0.093	21%	0.211	C	C	.	.	S	Bend	trans	75.7	18.6	179.5	0	0	0	0	0	114.9	N348 E349	N348-G351 PolarHBondContact O-N 2.88Å; N348-G351 PolarHBondContact OD1-N 2.88Å; N348-G351 VanDerWaalsContact OD1-N 3.1Å; E349-G351 VanDerWaalsContact C-N 3.32Å
352	Q	90.2	Very high	88.3	Confident	20 Å²	20	36 Å²	36	9%	0.093	19%	0.191	C	C	.	.			trans	-88.5	150.4	173	-63.9	167.6	-40.8	0	0	110.1	D252 L347 N348 S350 A354	D252-Q352 PolarHBondContact OD1-NE2 2.74Å; L347-Q352 WeakPolarHBondContact CA-O 3.09Å; N348-Q352 PolarHBondContact N-O 3.03Å; N348-Q352 PolarHBondContact ND2-OE1 3Å; N348-Q352 PolarHBondContact OD1-N 2.91Å; N348-Q352 PolarHBondContact OD1-O 3.41Å; S350-Q352 VanDerWaalsContact C-N 3.35Å; S350-Q352 PolarHBondContact OG-OE1 2.78Å; Q352-A354 PolarHBondContact O-N 2.94Å
353	V	92	Very high	89.4	Confident	7 Å²	7	35.1 Å²	35.1	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.1	177.2	174.8	0	0	0	0	111	Y254 V262 L345 L347 L452	Y254-V353 WeakPolarHBondContact O-CG2 3.14Å; V262-V353 HydrophobicContact CG1-CG2 3.96Å; V262-V353 HydrophobicContact CG2-CG2 3.92Å; L345-V353 HydrophobicContact CD1-CG1 4.21Å; L345-V353 HydrophobicContact CD2-CG1 4.43Å; L347-V353 HydrophobicContact CD2-CG2 3.82Å; V353-L452 HydrophobicContact CG1-CD2 3.88Å
354	A	93.5	Very high	90	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.2	179.2	0	0	0	0	0	110.4	L345 T346 N348 Q352 C408 V409 N410	L345-A354 WeakPolarHBondContact CA-O 3.23Å; T346-A354 HydrophobicContact CG2-CB 4.07Å; T346-A354 PolarHBondContact N-O 3.43Å; T346-A354 PolarHBondContact O-N 2.76Å; T346-A354 VanDerWaalsContact O-O 3.11Å; N348-A354 HydrophobicContact CB-CB 4.39Å; Q352-A354 PolarHBondContact O-N 2.94Å; A354-C408 HydrophobicContact CB-CB 4.12Å; A354-V409 CarbonylContact C-O 3.56Å; A354-V409 VanDerWaalsContact CA-O 3.31Å; A354-V409 WeakPolarHBondContact CA-O 3.39Å; A354-V409 WeakPolarHBondContact CB-O 3.38Å; A354-N410 HydrophobicContact CB-CB 3.97Å
355	V	93.7	Very high	90	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123	173.7	179	0	0	0	0	108.8	L345 V409 V454 A456	L345-V355 HydrophobicContact CD2-CG2 4.12Å; V355-V409 PolarHBondContact N-O 2.9Å; V355-V409 PolarHBondContact O-N 2.92Å; V355-V454 HydrophobicContact CG2-CB 4.11Å; V355-V454 HydrophobicContact CG2-CG1 4.48Å; V355-A456 HydrophobicContact CG1-CB 4.15Å
356	R	94.2	Very high	89.8	Confident	38 Å²	38	44.9 Å²	44.9	14%	0.143	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-76.6	127.5	166	-176.3	177.8	-77.7	156.7	3.3	108.6	T48 D50 S344 T346 P404	T48-R356 VanDerWaalsContact CB-NH1 3.33Å; T48-R356 HydrophobicContact CG2-CB 4.08Å; D50-R356 IonicContact OD1-CZ 2.81Å; D50-R356 IonicContact OD1-NH1 2.82Å; D50-R356 PolarHBondContact OD1-NH1 2.81Å; D50-R356 IonicContact OD1-NH2 3.64Å; D50-R356 IonicContact OD2-CZ 3.28Å; D50-R356 IonicContact OD2-NH1 3.15Å; D50-R356 PolarHBondContact OD2-NH1 2.84Å; D50-R356 IonicContact OD2-NH2 3.9Å; D50-R356 PolarHBondContact OD2-NH2 2.7Å; S344-R356 WeakPolarHBondContact O-CB 3.28Å; S344-R356 PolarHBondContact O-N 3.01Å; T346-R356 HydrophobicContact CG2-CB 4.22Å; R356-P404 VanDerWaalsContact CG-O 3.23Å; R356-P404 WeakPolarHBondContact CG-O 3.46Å
357	P	95.1	Very high	89.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-59.1	145.2	173.8	-24.1	34.8	0	0	0	112.4	P404 L407 V409 A456 V458 L463	P357-P404 WeakPolarHBondContact O-CB 3.24Å; P357-L407 WeakPolarHBondContact CD-O 3.45Å; P357-L407 HydrophobicContact CG-CB 3.84Å; P357-L407 HydrophobicContact CG-CD1 4.4Å; P357-V409 HydrophobicContact CG-CG2 4.33Å; P357-A456 WeakPolarHBondContact CA-O 2.91Å; P357-A456 HydrophobicContact CB-CB 4.19Å; P357-A456 HydrophobicContact CG-CB 4.19Å; P357-V458 HydrophobicContact CB-CG2 3.86Å; P357-L463 HydrophobicContact CB-CD1 4.32Å; P357-L463 HydrophobicContact CG-CD1 3.47Å; P357-L463 VanDerWaalsContact CG-CD1 3.47Å; P357-L463 HydrophobicContact CG-CG 4.1Å
358	K	92.7	Very high	89.3	Confident	18 Å²	18	51 Å²	51	8%	0.078	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-72	143.3	172.7	-64.6	-179.5	-176.8	175.9	0	111.9	N342 Q362 I363 V366 A456 Q457 V458	N342-K358 WeakPolarHBondContact O-CE 3.3Å; N342-K358 PolarHBondContact O-NZ 2.56Å; K358-Q362 HydrophobicContact CB-CB 4.02Å; K358-Q362 HydrophobicContact CG-CB 4.32Å; K358-I363 HydrophobicContact CB-CG1 3.84Å; K358-V366 HydrophobicContact CD-CG2 3.66Å; K358-A456 PolarHBondContact N-O 3.1Å; K358-Q457 HydrophobicContact CB-CG 4.24Å; K358-Q457 HydrophobicContact CD-CG 4.41Å; K358-V458 PolarHBondContact O-N 3.47Å
359	S	90.1	Very high	89.1	Confident	30 Å²	30	55.3 Å²	55.3	21%	0.21	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-79.1	159.8	167.5	63.2	0	0	0	0	112.6	N361 Q362 I363	S359-N361 PolarHBondContact O-N 2.88Å; S359-Q362 WeakPolarHBondContact O-CA 3.36Å; S359-Q362 PolarHBondContact O-N 3.33Å; S359-Q362 PolarHBondContact OG-N 3.26Å; S359-Q362 PolarHBondContact OG-OE1 3.31Å; S359-I363 WeakPolarHBondContact O-CG1 3.49Å; S359-I363 PolarHBondContact O-N 3.03Å
360	D	89	Confident	89.2	Confident	94 Å²	94	53.3 Å²	53.3	50%	0.503	31%	0.314	S	S	.	.	H	α-helix	trans	-46.9	-34.9	173.6	-73.5	-21	0	0	0	113.9	K364	D360-K364 WeakPolarHBondContact O-CE 3.48Å; D360-K364 WeakPolarHBondContact O-CG 3.44Å; D360-K364 PolarHBondContact O-N 3.47Å
361	N	87.2	Confident	89.4	Confident	119 Å²	119	52.7 Å²	52.7	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-75.7	-34.9	179.3	-73.7	-25.3	0	0	0	112.8	S359 K364	S359-N361 PolarHBondContact O-N 2.88Å; N361-K364 PolarHBondContact OD1-NZ 3.04Å
362	Q	88.9	Confident	89.7	Confident	87 Å²	87	53 Å²	53	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-74.3	-35.8	173.7	-71.3	161.2	-40.4	0	0	111.5	K358 S359 K364 A365	K358-Q362 HydrophobicContact CB-CB 4.02Å; K358-Q362 HydrophobicContact CG-CB 4.32Å; S359-Q362 WeakPolarHBondContact O-CA 3.36Å; S359-Q362 PolarHBondContact O-N 3.33Å; S359-Q362 PolarHBondContact OG-N 3.26Å; S359-Q362 PolarHBondContact OG-OE1 3.31Å; Q362-K364 PolarHBondContact O-N 2.99Å; Q362-A365 PolarHBondContact O-N 2.72Å
363	I	88.8	Confident	89.7	Confident	31 Å²	31	56.8 Å²	56.8	16%	0.159	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-35.9	177.9	-66	165.6	0	0	0	111.2	K358 S359 A365 V366 Q457 V458	K358-I363 HydrophobicContact CB-CG1 3.84Å; S359-I363 WeakPolarHBondContact O-CG1 3.49Å; S359-I363 PolarHBondContact O-N 3.03Å; I363-A365 PolarHBondContact O-N 2.79Å; I363-A365 VanDerWaalsContact O-N 3.14Å; I363-V366 WeakPolarHBondContact O-CB 3.31Å; I363-V366 PolarHBondContact O-N 3.29Å; I363-Q457 HydrophobicContact CD1-CB 3.84Å; I363-Q457 HydrophobicContact CD1-CG 4.44Å; I363-Q457 HydrophobicContact CG1-CB 4.19Å; I363-Q457 HydrophobicContact CG1-CG 4.24Å; I363-V458 WeakPolarHBondContact CD1-O 3.21Å
364	K	88.1	Confident	89.7	Confident	158 Å²	158	58.1 Å²	58.1	69%	0.687	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.5	175.5	-68.3	162.5	-164	167	0	114.4	D360 N361 Q362	D360-K364 WeakPolarHBondContact O-CE 3.48Å; D360-K364 WeakPolarHBondContact O-CG 3.44Å; D360-K364 PolarHBondContact O-N 3.47Å; N361-K364 PolarHBondContact OD1-NZ 3.04Å; Q362-K364 PolarHBondContact O-N 2.99Å
365	A	87	Confident	89.6	Confident	82 Å²	82	62.9 Å²	62.9	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.6	176.2	0	0	0	0	0	113.1	Q362 I363	Q362-A365 PolarHBondContact O-N 2.72Å; I363-A365 PolarHBondContact O-N 2.79Å; I363-A365 VanDerWaalsContact O-N 3.14Å
366	V	85.9	Confident	89.5	Confident	14 Å²	14	65.1 Å²	65.1	9%	0.085	39%	0.393	C	S	.	.	S	Bend	trans	-78.9	132.3	179.6	-176.3	0	0	0	0	109.5	K358 I363 A368 Q370	K358-V366 HydrophobicContact CD-CG2 3.66Å; I363-V366 WeakPolarHBondContact O-CB 3.31Å; I363-V366 PolarHBondContact O-N 3.29Å; V366-A368 PolarHBondContact O-N 3.4Å; V366-Q370 HydrophobicContact CG1-CB 3.66Å
367	P	88.8	Confident	89.2	Confident	60 Å²	60	67.3 Å²	67.3	39%	0.39	41%	0.41	S	S	.	.			trans	-55	140.3	172.3	-25.3	34.6	0	0	0	111.2	S369 Q370 A371	P367-S369 PolarHBondContact O-N 3.12Å; P367-Q370 WeakPolarHBondContact O-CA 3.39Å; P367-Q370 PolarHBondContact O-N 3.46Å; P367-A371 PolarHBondContact O-N 3.25Å; P367-A371 VanDerWaalsContact O-N 3.15Å
368	A	86.4	Confident	89	Confident	97 Å²	97	73 Å²	73	80%	0.802	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.7	-176.5	0	0	0	0	0	114	V366 Q370	V366-A368 PolarHBondContact O-N 3.4Å; A368-Q370 VanDerWaalsContact C-N 3.27Å; A368-Q370 PolarHBondContact O-N 2.82Å
369	S	84.6	Confident	88.9	Confident	116 Å²	116	72.7 Å²	72.7	81%	0.811	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.2	173.3	52.3	0	0	0	0	115	P367	P367-S369 PolarHBondContact O-N 3.12Å
370	Q	84.7	Confident	88.8	Confident	81 Å²	81	73.6 Å²	73.6	38%	0.379	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-4	178.6	-63	-176.5	-11	0	0	112.8	N342 V366 P367 A368 Q457	N342-Q370 PolarHBondContact ND2-OE1 3.48Å; V366-Q370 HydrophobicContact CG1-CB 3.66Å; P367-Q370 WeakPolarHBondContact O-CA 3.39Å; P367-Q370 PolarHBondContact O-N 3.46Å; A368-Q370 VanDerWaalsContact C-N 3.27Å; A368-Q370 PolarHBondContact O-N 2.82Å; Q370-Q457 PolarHBondContact O-NE2 2.82Å
371	A	89.3	Confident	88.9	Confident	35 Å²	35	70.4 Å²	70.4	29%	0.289	43%	0.426	S	S	.	.			trans	-70.7	135.1	174.5	0	0	0	0	0	109.9	P367	P367-A371 PolarHBondContact O-N 3.25Å; P367-A371 VanDerWaalsContact O-N 3.15Å
372	L	92.8	Very high	89	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.084	41%	0.412	C	S	.	.			trans	-89.1	142.2	177.8	-60.2	-174.8	0	0	0	109.8	S455 Q457 V464 E466	L372-S455 WeakPolarHBondContact CD1-O 3.41Å; L372-Q457 HydrophobicContact CB-CB 4.33Å; L372-Q457 HydrophobicContact CB-CG 4.24Å; L372-Q457 HydrophobicContact CD1-CB 4.39Å; L372-Q457 HydrophobicContact CD1-CG 4.06Å; L372-Q457 HydrophobicContact CG-CG 4.07Å; L372-V464 HydrophobicContact CB-CB 4.24Å; L372-V464 HydrophobicContact CB-CG1 3.95Å; L372-V464 HydrophobicContact CD1-CG1 4.34Å; L372-V464 WeakPolarHBondContact CD1-O 3.45Å; L372-E466 HydrophobicContact CD2-CB 3.98Å; L372-E466 HydrophobicContact CD2-CG 3.93Å
373	V	90.9	Very high	89	Confident	99 Å²	99	66.5 Å²	66.5	60%	0.6	40%	0.403	S	S	*	.			trans	-119.8	124.2	-178.3	-178.7	0	0	0	0	108.7	K375 H393	V373-K375 PolarHBondContact O-N 3.41Å; V373-H393 PolarHBondContact O-CE1 3.04Å
374	A	91.9	Very high	88.8	Confident	36 Å²	36	70.1 Å²	70.1	30%	0.298	42%	0.423	S	S	.	.			trans	-66.4	129.1	170	0	0	0	0	0	109.6	V464	A374-V464 HydrophobicContact CB-CG2 3.78Å
375	K	91.7	Very high	88.3	Confident	101 Å²	101	65.7 Å²	65.7	44%	0.439	41%	0.407	S	S	.	.			trans	-99.7	-9.1	-178	-57.8	173.8	-171.1	163.1	0	111.4	V373 H393 E395 E466	V373-K375 PolarHBondContact O-N 3.41Å; K375-H393 VanDerWaalsContact CE-CE1 3.5Å; K375-H393 WeakPolarHBondContact CE-CE1 3.35Å; K375-H393 PolarHBondContact NZ-ND1 2.76Å; K375-E395 VanDerWaalsContact CA-OE1 3.28Å; K375-E395 WeakPolarHBondContact CA-OE1 3.24Å; K375-E395 WeakPolarHBondContact CB-OE1 3.28Å; K375-E395 PolarHBondContact N-OE1 3.36Å; K375-E466 IonicContact NZ-OE1 3.56Å; K375-E466 PolarHBondContact NZ-OE1 3.05Å
376	G	91	Very high	87.7	Confident	55 Å²	55	65.3 Å²	65.3	57%	0.567	41%	0.411	S	S	*	.	S	Bend	trans	81.8	16.4	-177	0	0	0	0	0	113.2	E395	G376-E395 PolarHBondContact N-OE1 2.99Å; G376-E395 PolarHBondContact N-OE2 2.76Å; G376-E395 VanDerWaalsContact N-OE2 3.14Å
377	V	89.6	Confident	87.2	Confident	83 Å²	83	69.6 Å²	69.6	50%	0.503	44%	0.441	S	S	.	.			trans	-110.5	89.1	-178.7	-176.4	0	0	0	0	108.9	E395	V377-E395 PolarHBondContact N-OE1 3.03Å
378	H	90.4	Very high	86.3	Confident	120 Å²	120	69.2 Å²	69.2	56%	0.556	45%	0.449	S	S	*	.	B	Isolated β-bridge	trans	-63.5	136.9	-178.5	-58.4	-34.2	0	0	0	112.4
379	G	89.8	Confident	85.7	Confident	13 Å²	13	64.8 Å²	64.8	13%	0.134	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.8	-165	-175.6	0	0	0	0	0	113.8	V394 E395	G379-V394 VanDerWaalsContact O-CA 3.32Å; G379-V394 WeakPolarHBondContact O-CA 3.1Å; G379-E395 PolarHBondContact N-O 3.03Å; G379-E395 PolarHBondContact O-N 3.39Å
380	L	88.9	Confident	85.6	Confident	49 Å²	49	65.5 Å²	65.5	26%	0.257	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.7	-177.4	174.4	66.3	0	0	0	111.5	L392 V394 Y443 A444 I445	L380-L392 HydrophobicContact CD1-CB 3.98Å; L380-V394 HydrophobicContact CB-CG2 4.17Å; L380-V394 HydrophobicContact CD1-CG2 3.56Å; L380-V394 HydrophobicContact CG-CG2 4.47Å; L380-Y443 HydrophobicContact CB-CD1 3.87Å; L380-Y443 HydrophobicContact CB-CG 4.27Å; L380-A444 WeakPolarHBondContact CD2-O 3.41Å; L380-I445 HydrophobicContact CD1-CG2 4.32Å; L380-I445 HydrophobicContact CD2-CG2 4.03Å
381	S	91.4	Very high	85.7	Confident	27 Å²	27	64.9 Å²	64.9	19%	0.189	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	176.9	173.1	66.8	0	0	0	0	110.3	H393	S381-H393 PolarHBondContact N-O 2.75Å; S381-H393 PolarHBondContact O-N 2.96Å; S381-H393 PolarHBondContact OG-CD2 3.08Å; S381-H393 PolarHBondContact OG-O 2.92Å
382	Y	88.8	Confident	85.8	Confident	86 Å²	86	63.2 Å²	63.2	34%	0.337	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.6	177.1	-57.7	-82	0	0	0	110.9	M115 R391 P446 L469	M115-Y382 VanDerWaalsContact CE-OH 3.32Å; M115-Y382 WeakPolarHBondContact CE-OH 3.21Å; Y382-R391 WeakPolarHBondContact CA-O 3.15Å; Y382-P446 HydrophobicContact CE1-CG 4.27Å; Y382-P446 WeakPolarHBondContact OH-CD 3.28Å; Y382-L469 HydrophobicContact CD1-CD1 4.02Å; Y382-L469 HydrophobicContact CE1-CD1 3.97Å
383	V	88.6	Confident	85.9	Confident	37 Å²	37	62.5 Å²	62.5	22%	0.224	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.9	-175.5	-164	0	0	0	0	107.9	K390 R391 H393	V383-K390 CarbonylContact O-C 3.51Å; V383-K390 WeakPolarHBondContact O-CA 3.16Å; V383-R391 PolarHBondContact N-O 2.74Å; V383-R391 PolarHBondContact O-N 3.5Å; V383-H393 HydrophobicContact CG2-CB 3.37Å
384	D	84.7	Confident	86	Confident	108 Å²	108	57.8 Å²	57.8	58%	0.578	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	137.7	170.4	-160.2	-69	0	0	0	109.8	G386	D384-G386 VanDerWaalsContact C-N 3.3Å; D384-G386 WeakPolarHBondContact OD1-CA 3.33Å; D384-G386 PolarHBondContact OD1-N 2.89Å
385	D	77.8	Confident	86.3	Confident	65 Å²	65	56.1 Å²	56.1	35%	0.348	34%	0.335	S	S	.	.			trans	-86	1.3	178.8	68.3	16.8	0	0	0	114.2	S387 G388 G389 R391	D385-S387 VanDerWaalsContact CG-OG 3.25Å; D385-S387 PolarHBondContact O-N 2.97Å; D385-S387 VanDerWaalsContact OD1-CA 3.29Å; D385-S387 WeakPolarHBondContact OD1-CA 3.34Å; D385-S387 WeakPolarHBondContact OD1-CB 3.25Å; D385-S387 PolarHBondContact OD1-N 2.81Å; D385-S387 PolarHBondContact OD1-OG 3.22Å; D385-S387 PolarHBondContact OD2-OG 3.08Å; D385-G388 PolarHBondContact OD1-N 2.96Å; D385-G389 VanDerWaalsContact CG-CA 3.44Å; D385-G389 PolarHBondContact N-O 2.95Å; D385-G389 VanDerWaalsContact N-O 3.09Å; D385-G389 WeakPolarHBondContact OD1-CA 3.38Å; D385-G389 PolarHBondContact OD1-N 2.73Å; D385-G389 VanDerWaalsContact OD2-C 3.24Å; D385-G389 WeakPolarHBondContact OD2-CA 3.42Å; D385-G389 PolarHBondContact OD2-N 3.26Å; D385-R391 HydrophobicContact CB-CG 4.02Å
386	G	74.9	Confident	86.3	Confident	74 Å²	74	51.3 Å²	51.3	76%	0.763	31%	0.314	S	S	*	.	S	Bend	trans	81	-4.6	-176.7	0	0	0	0	0	114	D384	D384-G386 VanDerWaalsContact C-N 3.3Å; D384-G386 WeakPolarHBondContact OD1-CA 3.33Å; D384-G386 PolarHBondContact OD1-N 2.89Å
387	S	74.6	Confident	86.5	Confident	103 Å²	103	52.2 Å²	52.2	72%	0.72	31%	0.31	S	S	*	.	S	Bend	trans	-116.9	9.1	177.6	75.9	0	0	0	0	113.3	D385 G389	D385-S387 VanDerWaalsContact CG-OG 3.25Å; D385-S387 PolarHBondContact O-N 2.97Å; D385-S387 VanDerWaalsContact OD1-CA 3.29Å; D385-S387 WeakPolarHBondContact OD1-CA 3.34Å; D385-S387 WeakPolarHBondContact OD1-CB 3.25Å; D385-S387 PolarHBondContact OD1-N 2.81Å; D385-S387 PolarHBondContact OD1-OG 3.22Å; D385-S387 PolarHBondContact OD2-OG 3.08Å; S387-G389 VanDerWaalsContact C-N 3.35Å
388	G	69.5	Low	86.6	Confident	53 Å²	53	48.7 Å²	48.7	55%	0.546	29%	0.289	S	S	.	.	S	Bend	trans	78.6	17.7	-175.9	0	0	0	0	0	113.4	D385 K471	D385-G388 PolarHBondContact OD1-N 2.96Å; G388-K471 PolarHBondContact O-NZ 2.67Å
389	G	73.3	Confident	86.7	Confident	4 Å²	4	47.5 Å²	47.5	4%	0.041	29%	0.287	C	S	.	.			trans	-101.1	-178.7	160.5	0	0	0	0	0	111.9	D385 S387	D385-G389 VanDerWaalsContact CG-CA 3.44Å; D385-G389 PolarHBondContact N-O 2.95Å; D385-G389 VanDerWaalsContact N-O 3.09Å; D385-G389 WeakPolarHBondContact OD1-CA 3.38Å; D385-G389 PolarHBondContact OD1-N 2.73Å; D385-G389 VanDerWaalsContact OD2-C 3.24Å; D385-G389 WeakPolarHBondContact OD2-CA 3.42Å; D385-G389 PolarHBondContact OD2-N 3.26Å; S387-G389 VanDerWaalsContact C-N 3.35Å
390	K	82.3	Confident	86.8	Confident	130 Å²	130	51.9 Å²	51.9	57%	0.565	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.5	-178.3	-71	179.8	-178.9	175.8	0	109.5	V383 L469	V383-K390 CarbonylContact O-C 3.51Å; V383-K390 WeakPolarHBondContact O-CA 3.16Å; K390-L469 HydrophobicContact CB-CD1 4.04Å; K390-L469 PolarHBondContact O-N 2.85Å; K390-L469 VanDerWaalsContact O-N 3.07Å
391	R	88.4	Confident	86.9	Confident	68 Å²	68	51.3 Å²	51.3	26%	0.257	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.7	162.9	-60.6	171.5	70.4	100.6	13.4	108.4	Y382 V383 D385 E466 A467	Y382-R391 WeakPolarHBondContact CA-O 3.15Å; V383-R391 PolarHBondContact N-O 2.74Å; V383-R391 PolarHBondContact O-N 3.5Å; D385-R391 HydrophobicContact CB-CG 4.02Å; R391-E466 IonicContact CZ-OE2 2.93Å; R391-E466 IonicContact NE-OE2 3.08Å; R391-E466 PolarHBondContact NE-OE2 2.86Å; R391-E466 IonicContact NH2-OE2 3.22Å; R391-A467 CarbonylContact C-O 3.54Å; R391-A467 WeakPolarHBondContact CA-O 3.39Å; R391-A467 WeakPolarHBondContact CB-O 3.3Å
392	L	91.1	Very high	87	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	149.8	158.4	71.7	94.9	0	0	0	109.1	L380 V394 V416 I445 V449 L465 E466 A467 L469	L380-L392 HydrophobicContact CD1-CB 3.98Å; L392-V394 HydrophobicContact CD1-CG2 3.98Å; L392-V416 HydrophobicContact CD1-CG2 4.34Å; L392-V416 HydrophobicContact CD2-CG2 4.09Å; L392-I445 HydrophobicContact CD2-CG2 4.28Å; L392-V449 HydrophobicContact CD2-CB 4.38Å; L392-V449 HydrophobicContact CD2-CG1 4.42Å; L392-V449 HydrophobicContact CD2-CG2 3.26Å; L392-L465 HydrophobicContact CD1-CD1 3.34Å; L392-E466 VanDerWaalsContact O-CA 3.25Å; L392-E466 WeakPolarHBondContact O-CA 3.34Å; L392-A467 HydrophobicContact CD2-CB 3.95Å; L392-A467 HydrophobicContact CG-CB 4.1Å; L392-A467 PolarHBondContact N-O 2.94Å; L392-A467 PolarHBondContact O-N 2.8Å; L392-L469 HydrophobicContact CB-CD2 4.3Å; L392-L469 HydrophobicContact CD2-CD2 4.2Å
393	H	93.9	Very high	87.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	123.4	172.3	177.3	100.3	0	0	0	108.6	V373 K375 S381 V383 E395 V464 L465 E466	V373-H393 PolarHBondContact O-CE1 3.04Å; K375-H393 VanDerWaalsContact CE-CE1 3.5Å; K375-H393 WeakPolarHBondContact CE-CE1 3.35Å; K375-H393 PolarHBondContact NZ-ND1 2.76Å; S381-H393 PolarHBondContact N-O 2.75Å; S381-H393 PolarHBondContact O-N 2.96Å; S381-H393 PolarHBondContact OG-CD2 3.08Å; S381-H393 PolarHBondContact OG-O 2.92Å; V383-H393 HydrophobicContact CG2-CB 3.37Å; H393-E395 IonicContact NE2-OE1 2.81Å; H393-E395 PolarHBondContact NE2-OE1 2.9Å; H393-V464 VanDerWaalsContact CE1-CG1 3.45Å; H393-V464 WeakPolarHBondContact CE1-CG1 3.39Å; H393-L465 WeakPolarHBondContact CA-O 3.06Å; H393-E466 HydrophobicContact CB-CG 3.97Å; H393-E466 IonicContact CE1-OE1 3.5Å; H393-E466 IonicContact CG-OE1 3.48Å; H393-E466 VanDerWaalsContact ND1-CG 3.33Å; H393-E466 WeakPolarHBondContact ND1-CG 3.38Å; H393-E466 IonicContact ND1-OE1 3.48Å; H393-E466 PolarHBondContact ND1-OE1 2.95Å
394	V	94.4	Very high	87.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.5	179.5	-176.4	0	0	0	0	109.9	G379 L380 L392 V396 Y443 V464 L465	G379-V394 VanDerWaalsContact O-CA 3.32Å; G379-V394 WeakPolarHBondContact O-CA 3.1Å; L380-V394 HydrophobicContact CB-CG2 4.17Å; L380-V394 HydrophobicContact CD1-CG2 3.56Å; L380-V394 HydrophobicContact CG-CG2 4.47Å; L392-V394 HydrophobicContact CD1-CG2 3.98Å; V394-V396 HydrophobicContact CG1-CG2 3.93Å; V394-Y443 HydrophobicContact CG1-CD1 4.47Å; V394-Y443 HydrophobicContact CG1-CD2 3.69Å; V394-Y443 HydrophobicContact CG1-CE1 4.15Å; V394-Y443 HydrophobicContact CG1-CE2 3.29Å; V394-Y443 HydrophobicContact CG1-CG 4.24Å; V394-Y443 HydrophobicContact CG2-CD2 4.48Å; V394-V464 WeakPolarHBondContact O-CA 3.5Å; V394-L465 HydrophobicContact CB-CD1 3.89Å; V394-L465 HydrophobicContact CB-CD2 4.02Å; V394-L465 HydrophobicContact CB-CG 3.78Å; V394-L465 HydrophobicContact CG1-CD2 4.43Å; V394-L465 HydrophobicContact CG2-CD1 3.93Å; V394-L465 HydrophobicContact CG2-CG 4.38Å; V394-L465 PolarHBondContact N-O 3.38Å; V394-L465 PolarHBondContact O-N 2.96Å
395	E	96.3	Very high	87.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.4	168.9	-68.9	-175.8	-127.6	0	0	110.4	K375 G376 V377 G379 H393 T462 L463 V464	K375-E395 VanDerWaalsContact CA-OE1 3.28Å; K375-E395 WeakPolarHBondContact CA-OE1 3.24Å; K375-E395 WeakPolarHBondContact CB-OE1 3.28Å; K375-E395 PolarHBondContact N-OE1 3.36Å; G376-E395 PolarHBondContact N-OE1 2.99Å; G376-E395 PolarHBondContact N-OE2 2.76Å; G376-E395 VanDerWaalsContact N-OE2 3.14Å; V377-E395 PolarHBondContact N-OE1 3.03Å; G379-E395 PolarHBondContact N-O 3.03Å; G379-E395 PolarHBondContact O-N 3.39Å; H393-E395 IonicContact NE2-OE1 2.81Å; H393-E395 PolarHBondContact NE2-OE1 2.9Å; E395-T462 HydrophobicContact CB-CG2 3.81Å; E395-T462 HydrophobicContact CG-CG2 4.09Å; E395-L463 WeakPolarHBondContact CA-O 3.46Å; E395-V464 HydrophobicContact CG-CG2 4.44Å
396	V	93.5	Very high	88.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.8	176.1	-170	0	0	0	0	109.1	V394 V398 V418 F439 Y443 T462 L463	V394-V396 HydrophobicContact CG1-CG2 3.93Å; V396-V398 PolarHBondContact O-N 2.87Å; V396-V418 HydrophobicContact CG2-CB 4.31Å; V396-V418 HydrophobicContact CG2-CG1 4.27Å; V396-V418 HydrophobicContact CG2-CG2 4Å; V396-F439 HydrophobicContact CG1-CE2 4.38Å; V396-Y443 HydrophobicContact CG2-CE2 4.04Å; V396-T462 WeakPolarHBondContact O-CA 3.41Å; V396-L463 HydrophobicContact CB-CB 4.36Å; V396-L463 HydrophobicContact CG2-CD2 4.48Å; V396-L463 PolarHBondContact N-O 3.03Å; V396-L463 PolarHBondContact O-N 2.84Å
397	P	93.8	Very high	89.4	Confident	74 Å²	74	46.4 Å²	46.4	48%	0.481	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	127.5	166.6	-21.3	33.6	0	0	0	110.2
398	V	92.5	Very high	90.4	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	23%	0.233	C	C	.	.			trans	-116.9	128	-178.8	176.1	0	0	0	0	109.6	V396 Y402 L407 F439 N461 L463	V396-V398 PolarHBondContact O-N 2.87Å; V398-Y402 HydrophobicContact CG1-CD2 4.14Å; V398-Y402 HydrophobicContact CG1-CG 4.33Å; V398-L407 HydrophobicContact CG1-CD1 4.12Å; V398-L407 HydrophobicContact CG1-CD2 4.25Å; V398-L407 HydrophobicContact CG2-CD1 4.36Å; V398-F439 HydrophobicContact CG2-CZ 4.3Å; V398-N461 PolarHBondContact N-O 3.05Å; V398-N461 PolarHBondContact O-ND2 3.42Å; V398-L463 HydrophobicContact CG2-CB 3.77Å
399	D	91.9	Very high	91.6	Very high	95 Å²	95	40 Å²	40	51%	0.508	21%	0.208	S	C	.	.			trans	-58.6	134.3	174.5	-176.1	-70.5	0	0	0	110	V401 Y402	D399-V401 HydrophobicContact CB-CG1 4.23Å; D399-V401 PolarHBondContact O-N 3.34Å; D399-V401 WeakPolarHBondContact OD1-CB 3.27Å; D399-V401 WeakPolarHBondContact OD1-CG1 3.33Å; D399-V401 PolarHBondContact OD1-N 3.18Å; D399-Y402 HydrophobicContact CB-CD2 3.98Å; D399-Y402 HydrophobicContact CB-CE2 4.07Å; D399-Y402 PolarHBondContact O-N 2.94Å
400	P	91.6	Very high	92.5	Very high	104 Å²	104	40.4 Å²	40.4	68%	0.675	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-14.7	-178.6	-21	26	0	0	0	115.9	Y402 N461	P400-Y402 VanDerWaalsContact C-N 3.34Å; P400-N461 WeakPolarHBondContact CG-ND2 3.48Å
401	V	90.9	Very high	92.7	Very high	38 Å²	38	34.5 Å²	34.5	23%	0.23	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.6	174.9	80.9	0	0	0	0	113.5	D399 H422 K424	D399-V401 HydrophobicContact CB-CG1 4.23Å; D399-V401 PolarHBondContact O-N 3.34Å; D399-V401 WeakPolarHBondContact OD1-CB 3.27Å; D399-V401 WeakPolarHBondContact OD1-CG1 3.33Å; D399-V401 PolarHBondContact OD1-N 3.18Å; V401-H422 PolarHBondContact O-CE1 2.81Å; V401-H422 PolarHBondContact O-ND1 2.7Å; V401-K424 VanDerWaalsContact CG2-CE 3.48Å
402	Y	93.4	Very high	92.3	Very high	27 Å²	27	34 Å²	34	11%	0.106	19%	0.186	C	C	.	.			trans	-87.3	123.3	178.1	-58.4	-83.7	0	0	0	109.9	V398 D399 P400 D406 L407 H422 A437 E438 F439	V398-Y402 HydrophobicContact CG1-CD2 4.14Å; V398-Y402 HydrophobicContact CG1-CG 4.33Å; D399-Y402 HydrophobicContact CB-CD2 3.98Å; D399-Y402 HydrophobicContact CB-CE2 4.07Å; D399-Y402 PolarHBondContact O-N 2.94Å; P400-Y402 VanDerWaalsContact C-N 3.34Å; Y402-D406 HydrophobicContact CD1-CB 4.22Å; Y402-L407 HydrophobicContact CG-CD2 4.29Å; Y402-H422 HydrophobicContact CD1-CB 3.7Å; Y402-H422 HydrophobicContact CE1-CB 3.92Å; Y402-A437 HydrophobicContact CE1-CB 4.22Å; Y402-A437 VanDerWaalsContact OH-C 3.24Å; Y402-A437 WeakPolarHBondContact OH-CB 3.44Å; Y402-E438 VanDerWaalsContact OH-C 3.27Å; Y402-E438 WeakPolarHBondContact OH-CA 3.14Å; Y402-E438 PolarHBondContact OH-N 3.35Å; Y402-F439 HydrophobicContact CD1-CD1 4.32Å; Y402-F439 HydrophobicContact CD1-CE1 4.18Å; Y402-F439 HydrophobicContact CD2-CD1 4.09Å; Y402-F439 AromaticContact CD2-CE1 3.93Å; Y402-F439 HydrophobicContact CD2-CE1 3.93Å; Y402-F439 AromaticContact CE1-CD1 3.9Å; Y402-F439 HydrophobicContact CE1-CD1 3.9Å; Y402-F439 HydrophobicContact CE1-CE1 4.23Å; Y402-F439 AromaticContact CE2-CD1 3.65Å; Y402-F439 HydrophobicContact CE2-CD1 3.65Å; Y402-F439 AromaticContact CE2-CE1 3.98Å; Y402-F439 HydrophobicContact CE2-CE1 3.98Å; Y402-F439 HydrophobicContact CG-CD1 4.41Å; Y402-F439 HydrophobicContact CG-CE1 4.04Å; Y402-F439 AromaticContact CZ-CD1 3.55Å
403	K	93	Very high	91.3	Very high	108 Å²	108	34.4 Å²	34.4	47%	0.47	19%	0.189	S	C	.	.			trans	-91.6	164.4	170.6	-55.3	178.3	-180	177.7	0	110.3	E405 D406 L407	K403-E405 VanDerWaalsContact CB-CD 3.46Å; K403-E405 HydrophobicContact CB-CG 4.17Å; K403-E405 WeakPolarHBondContact CB-OE2 3.48Å; K403-E405 HydrophobicContact CD-CG 4.48Å; K403-E405 WeakPolarHBondContact CD-OE1 3.18Å; K403-E405 IonicContact NZ-OE1 3.99Å; K403-E405 PolarHBondContact NZ-OE1 2.71Å; K403-E405 PolarHBondContact O-N 3.06Å; K403-E405 VanDerWaalsContact O-N 3.12Å; K403-D406 PolarHBondContact N-OD2 3.46Å; K403-D406 WeakPolarHBondContact O-CA 3.04Å; K403-D406 WeakPolarHBondContact O-CB 3.35Å; K403-D406 PolarHBondContact O-N 3.32Å; K403-L407 WeakPolarHBondContact O-CG 3.13Å
404	P	93.5	Very high	90.3	Very high	23 Å²	23	35.1 Å²	35.1	15%	0.149	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32.3	177.3	-25.9	35.7	0	0	0	113.8	R356 P357 D406 L407 V458	R356-P404 VanDerWaalsContact CG-O 3.23Å; R356-P404 WeakPolarHBondContact CG-O 3.46Å; P357-P404 WeakPolarHBondContact O-CB 3.24Å; P404-D406 VanDerWaalsContact C-N 3.32Å; P404-D406 PolarHBondContact O-N 3.28Å; P404-L407 PolarHBondContact O-N 2.8Å; P404-V458 HydrophobicContact CB-CG2 4.35Å; P404-V458 HydrophobicContact CG-CB 4.26Å; P404-V458 HydrophobicContact CG-CG2 4.02Å
405	E	91.9	Very high	89.6	Confident	97 Å²	97	37.7 Å²	37.7	45%	0.453	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-67.3	-25.7	173.7	63	-94.2	-144.8	0	0	115	K403 L407	K403-E405 VanDerWaalsContact CB-CD 3.46Å; K403-E405 HydrophobicContact CB-CG 4.17Å; K403-E405 WeakPolarHBondContact CB-OE2 3.48Å; K403-E405 HydrophobicContact CD-CG 4.48Å; K403-E405 WeakPolarHBondContact CD-OE1 3.18Å; K403-E405 IonicContact NZ-OE1 3.99Å; K403-E405 PolarHBondContact NZ-OE1 2.71Å; K403-E405 PolarHBondContact O-N 3.06Å; K403-E405 VanDerWaalsContact O-N 3.12Å; E405-L407 VanDerWaalsContact C-N 3.29Å
406	D	93.2	Very high	89.2	Confident	33 Å²	33	37.7 Å²	37.7	18%	0.176	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-80.5	-9.3	175.7	-57.8	-59.9	0	0	0	112.3	Y402 K403 P404 G420 R421 H422	Y402-D406 HydrophobicContact CD1-CB 4.22Å; K403-D406 PolarHBondContact N-OD2 3.46Å; K403-D406 WeakPolarHBondContact O-CA 3.04Å; K403-D406 WeakPolarHBondContact O-CB 3.35Å; K403-D406 PolarHBondContact O-N 3.32Å; P404-D406 VanDerWaalsContact C-N 3.32Å; P404-D406 PolarHBondContact O-N 3.28Å; D406-G420 CarbonylContact O-C 3.57Å; D406-G420 WeakPolarHBondContact O-CA 3.28Å; D406-R421 PolarHBondContact O-N 3.35Å; D406-H422 HydrophobicContact CB-CB 4.26Å; D406-H422 VanDerWaalsContact CG-ND1 3.33Å; D406-H422 IonicContact OD1-CG 2.66Å; D406-H422 IonicContact OD1-ND1 2.68Å; D406-H422 PolarHBondContact OD1-ND1 2.93Å; D406-H422 IonicContact OD2-CE1 3.84Å; D406-H422 IonicContact OD2-CG 3.58Å; D406-H422 IonicContact OD2-ND1 3.41Å; D406-H422 PolarHBondContact OD2-ND1 2.83Å
407	L	95.1	Very high	89.1	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.7	-170.4	-59.5	175.6	0	0	0	112.9	P357 V398 Y402 K403 P404 E405 S419 F439 V458 L463	P357-L407 WeakPolarHBondContact CD-O 3.45Å; P357-L407 HydrophobicContact CG-CB 3.84Å; P357-L407 HydrophobicContact CG-CD1 4.4Å; V398-L407 HydrophobicContact CG1-CD1 4.12Å; V398-L407 HydrophobicContact CG1-CD2 4.25Å; V398-L407 HydrophobicContact CG2-CD1 4.36Å; Y402-L407 HydrophobicContact CG-CD2 4.29Å; K403-L407 WeakPolarHBondContact O-CG 3.13Å; P404-L407 PolarHBondContact O-N 2.8Å; E405-L407 VanDerWaalsContact C-N 3.29Å; L407-S419 WeakPolarHBondContact CA-O 3.17Å; L407-F439 HydrophobicContact CD2-CE1 3.61Å; L407-F439 HydrophobicContact CD2-CZ 3.73Å; L407-V458 HydrophobicContact CD1-CG2 3.8Å; L407-L463 HydrophobicContact CB-CD1 4.48Å; L407-L463 HydrophobicContact CD1-CD1 4.01Å
408	C	94.1	Very high	89	Confident	21 Å²	21	34.9 Å²	34.9	14%	0.142	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145	170.5	66.9	0	0	0	0	112.3	T346 A354 S419	T346-C408 HydrophobicContact CG2-CB 4.36Å; A354-C408 HydrophobicContact CB-CB 4.12Å; C408-S419 PolarHBondContact N-O 3.25Å; C408-S419 PolarHBondContact O-N 3.27Å; C408-S419 PolarHBondContact SG-OG 2.86Å
409	V	95	Very high	89	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.6	173.1	-179.5	0	0	0	0	108.5	A354 V355 P357 V416 V417 V418 V454 A456 L463 L465	A354-V409 CarbonylContact C-O 3.56Å; A354-V409 VanDerWaalsContact CA-O 3.31Å; A354-V409 WeakPolarHBondContact CA-O 3.39Å; A354-V409 WeakPolarHBondContact CB-O 3.38Å; V355-V409 PolarHBondContact N-O 2.9Å; V355-V409 PolarHBondContact O-N 2.92Å; P357-V409 HydrophobicContact CG-CG2 4.33Å; V409-V416 HydrophobicContact CG1-CG1 3.83Å; V409-V417 CarbonylContact C-O 3.59Å; V409-V417 WeakPolarHBondContact CA-O 3.42Å; V409-V418 HydrophobicContact CG2-CG2 4.27Å; V409-V454 HydrophobicContact CG1-CG1 3.89Å; V409-A456 HydrophobicContact CG2-CB 3.92Å; V409-L463 HydrophobicContact CG2-CD1 4.23Å; V409-L463 HydrophobicContact CG2-CD2 4.21Å; V409-L465 HydrophobicContact CG1-CD2 3.81Å; V409-L465 HydrophobicContact CG2-CD2 4.08Å
410	N	92.1	Very high	89	Confident	11 Å²	11	31.1 Å²	31.1	6%	0.059	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152	175.9	67	-79.6	0	0	0	111.4	A354 V417	A354-N410 HydrophobicContact CB-CB 3.97Å; N410-V417 PolarHBondContact N-O 2.91Å; N410-V417 PolarHBondContact O-N 3Å
411	V	87.8	Confident	89	Confident	7 Å²	7	31 Å²	31	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	172.8	-176.2	0	0	0	0	108.2	K251 R415 I445 V449 P451 V454	K251-V411 WeakPolarHBondContact CB-O 3.39Å; V411-R415 CarbonylContact C-O 3.44Å; V411-R415 WeakPolarHBondContact CA-O 3.15Å; V411-I445 HydrophobicContact CG1-CD1 4.44Å; V411-V449 HydrophobicContact CG1-CB 4.3Å; V411-V449 HydrophobicContact CG2-CB 4.25Å; V411-V449 HydrophobicContact CG2-CG1 4.05Å; V411-P451 HydrophobicContact CB-CG 4.19Å; V411-V454 HydrophobicContact CG2-CG2 3.8Å
412	D	79	Confident	88.9	Confident	58 Å²	58	31 Å²	31	31%	0.31	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	94.1	175.7	-179.2	8.9	0	0	0	108.3	K251 N414 R415 V417	K251-D412 WeakPolarHBondContact CD-OD1 3.5Å; K251-D412 WeakPolarHBondContact CE-OD1 3.48Å; K251-D412 IonicContact NZ-OD1 2.77Å; K251-D412 PolarHBondContact NZ-OD1 3.09Å; D412-N414 PolarHBondContact O-N 2.72Å; D412-R415 PolarHBondContact N-O 2.91Å; D412-R415 PolarHBondContact O-N 3.14Å; D412-V417 HydrophobicContact CB-CG2 4.33Å
413	S	71.1	Confident	88.5	Confident	8 Å²	8	34.2 Å²	34.2	6%	0.056	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-98.5	-178.5	-60.9	0	0	0	0	113	D248 K251 T448	D248-S413 WeakPolarHBondContact CB-OG 3.49Å; D248-S413 VanDerWaalsContact CG-CB 3.4Å; D248-S413 PolarHBondContact O-OG 3.29Å; D248-S413 VanDerWaalsContact O-OG 3.09Å; D248-S413 WeakPolarHBondContact OD2-CB 3.41Å; K251-S413 WeakPolarHBondContact CD-OG 3.26Å; K251-S413 WeakPolarHBondContact CE-OG 3.43Å; K251-S413 PolarHBondContact NZ-OG 3Å; S413-T448 PolarHBondContact O-OG1 3.41Å
414	N	72.2	Confident	88	Confident	15 Å²	15	33 Å²	33	8%	0.08	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	33	177.8	-56	-65.4	0	0	0	111.3	D248 D412 I445	D248-N414 PolarHBondContact OD1-ND2 3.31Å; D412-N414 PolarHBondContact O-N 2.72Å; N414-I445 VanDerWaalsContact O-CG1 3.29Å; N414-I445 WeakPolarHBondContact O-CG1 3.46Å; N414-I445 PolarHBondContact O-N 3.16Å
415	R	80.7	Confident	87.3	Confident	55 Å²	55	39 Å²	39	21%	0.208	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.1	175	-60.8	-175.7	-179.8	-78.5	-11.9	111.3	D116 V411 D412 Y443	D116-R415 IonicContact OD1-NH2 3.85Å; V411-R415 CarbonylContact C-O 3.44Å; V411-R415 WeakPolarHBondContact CA-O 3.15Å; D412-R415 PolarHBondContact N-O 2.91Å; D412-R415 PolarHBondContact O-N 3.14Å; R415-Y443 CarbonylContact C-O 3.57Å; R415-Y443 WeakPolarHBondContact CA-O 3.48Å
416	V	87.2	Confident	86.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.2	160.2	-177	0	0	0	0	107.6	L392 V409 S442 Y443 I445 L465	L392-V416 HydrophobicContact CD1-CG2 4.34Å; L392-V416 HydrophobicContact CD2-CG2 4.09Å; V409-V416 HydrophobicContact CG1-CG1 3.83Å; V416-S442 CarbonylContact O-C 3.5Å; V416-S442 WeakPolarHBondContact O-CA 3.28Å; V416-Y443 PolarHBondContact N-O 2.84Å; V416-Y443 PolarHBondContact O-N 3.1Å; V416-I445 HydrophobicContact CG2-CD1 4.09Å; V416-I445 HydrophobicContact CG2-CG2 4.06Å; V416-L465 HydrophobicContact CG1-CD1 4.02Å; V416-L465 HydrophobicContact CG1-CD2 3.96Å
417	V	90.2	Very high	84.9	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.1	176.5	-177.2	0	0	0	0	108.5	V409 N410 D412 Q441	V409-V417 CarbonylContact C-O 3.59Å; V409-V417 WeakPolarHBondContact CA-O 3.42Å; N410-V417 PolarHBondContact N-O 2.91Å; N410-V417 PolarHBondContact O-N 3Å; D412-V417 HydrophobicContact CB-CG2 4.33Å; V417-Q441 WeakPolarHBondContact CA-O 3.28Å
418	V	92.7	Very high	83.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.8	173.6	-178.7	0	0	0	0	107	V396 V409 F439 S440 Q441 L463 L465	V396-V418 HydrophobicContact CG2-CB 4.31Å; V396-V418 HydrophobicContact CG2-CG1 4.27Å; V396-V418 HydrophobicContact CG2-CG2 4Å; V409-V418 HydrophobicContact CG2-CG2 4.27Å; V418-F439 HydrophobicContact CG1-CE2 4.15Å; V418-F439 HydrophobicContact CG1-CZ 4.37Å; V418-S440 CarbonylContact O-C 3.51Å; V418-S440 WeakPolarHBondContact O-CA 3.35Å; V418-Q441 PolarHBondContact N-O 3.17Å; V418-Q441 PolarHBondContact O-N 3.27Å; V418-L463 HydrophobicContact CG1-CD1 3.64Å; V418-L463 HydrophobicContact CG1-CD2 4.3Å; V418-L463 HydrophobicContact CG2-CD2 4.43Å; V418-L465 HydrophobicContact CG2-CD2 3.58Å
419	S	92.7	Very high	82.5	Confident	24 Å²	24	55.5 Å²	55.5	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.1	175.1	29.1	0	0	0	0	111.8	L407 C408 F439	L407-S419 WeakPolarHBondContact CA-O 3.17Å; C408-S419 PolarHBondContact N-O 3.25Å; C408-S419 PolarHBondContact O-N 3.27Å; C408-S419 PolarHBondContact SG-OG 2.86Å; S419-F439 WeakPolarHBondContact CA-O 3.26Å; S419-F439 VanDerWaalsContact CB-O 3.32Å; S419-F439 WeakPolarHBondContact CB-O 3.17Å
420	G	91.6	Very high	81	Confident	2 Å²	2	65.5 Å²	65.5	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.1	172.8	0	0	0	0	0	111.3	D406 E438 F439	D406-G420 CarbonylContact O-C 3.57Å; D406-G420 WeakPolarHBondContact O-CA 3.28Å; G420-E438 CarbonylContact O-C 3.6Å; G420-E438 VanDerWaalsContact O-CA 3.25Å; G420-E438 WeakPolarHBondContact O-CA 3.45Å; G420-F439 PolarHBondContact N-O 2.95Å; G420-F439 PolarHBondContact O-N 3.18Å
421	R	90.5	Very high	79.9	Confident	102 Å²	102	66.7 Å²	66.7	39%	0.385	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	102.9	177.7	-169.4	174.5	-169.8	178.1	7.4	111.4	E349 D406 F436 A437 E438	E349-R421 WeakPolarHBondContact OE1-CD 3.27Å; E349-R421 IonicContact OE1-CZ 2.76Å; E349-R421 IonicContact OE1-NE 3.35Å; E349-R421 IonicContact OE1-NH1 3.67Å; E349-R421 PolarHBondContact OE1-NH1 3.45Å; E349-R421 IonicContact OE2-NH1 3.91Å; E349-R421 PolarHBondContact OE2-NH1 3.26Å; D406-R421 PolarHBondContact O-N 3.35Å; R421-F436 HydrophobicContact CG-CD2 4.3Å; R421-F436 VanDerWaalsContact NH2-CZ 3.34Å; R421-A437 CarbonylContact C-O 3.55Å; R421-A437 WeakPolarHBondContact CA-O 3.44Å; R421-E438 HydrophobicContact CB-CG 4.32Å; R421-E438 HydrophobicContact CG-CG 4.26Å; R421-E438 IonicContact CZ-OE2 3.98Å; R421-E438 IonicContact NE-OE2 2.63Å
422	H	89.3	Confident	79	Confident	37 Å²	37	75.3 Å²	75.3	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.1	-176.7	179.7	82.2	0	0	0	112	V401 Y402 D406 F436 A437	V401-H422 PolarHBondContact O-CE1 2.81Å; V401-H422 PolarHBondContact O-ND1 2.7Å; Y402-H422 HydrophobicContact CD1-CB 3.7Å; Y402-H422 HydrophobicContact CE1-CB 3.92Å; D406-H422 HydrophobicContact CB-CB 4.26Å; D406-H422 VanDerWaalsContact CG-ND1 3.33Å; D406-H422 IonicContact OD1-CG 2.66Å; D406-H422 IonicContact OD1-ND1 2.68Å; D406-H422 PolarHBondContact OD1-ND1 2.93Å; D406-H422 IonicContact OD2-CE1 3.84Å; D406-H422 IonicContact OD2-CG 3.58Å; D406-H422 IonicContact OD2-ND1 3.41Å; D406-H422 PolarHBondContact OD2-ND1 2.83Å; H422-F436 CarbonylContact O-C 3.52Å; H422-F436 WeakPolarHBondContact O-CA 3.38Å; H422-F436 WeakPolarHBondContact O-CB 3.14Å; H422-A437 PolarHBondContact N-O 3.43Å; H422-A437 PolarHBondContact O-N 2.95Å
423	H	86.1	Confident	78.4	Confident	95 Å²	95	73.5 Å²	73.5	44%	0.44	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.3	-175.2	-164.5	84.3	0	0	0	113.1
424	K	82.4	Confident	78.7	Confident	81 Å²	81	76.6 Å²	76.6	35%	0.352	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102.9	-178.2	-62.6	175.5	-177	175.3	0	110.7	V401 S435	V401-K424 VanDerWaalsContact CG2-CE 3.48Å; K424-S435 CarbonylContact C-O 3.51Å; K424-S435 WeakPolarHBondContact CA-O 3.37Å; K424-S435 WeakPolarHBondContact CB-OG 3.39Å; K424-S435 PolarHBondContact N-O 2.9Å; K424-S435 PolarHBondContact O-N 3.13Å; K424-S435 PolarHBondContact O-OG 3.01Å
425	Q	77.3	Confident	79.1	Confident	150 Å²	150	76.8 Å²	76.8	70%	0.701	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.6	169.3	-61.1	-170.2	-1.7	0	0	111
426	K	67.8	Low	79.2	Confident	154 Å²	154	76.2 Å²	76.2	67%	0.67	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.4	168.5	-71.4	-174.1	178	-179.4	0	109.7	G428 S433	K426-G428 PolarHBondContact O-N 2.91Å; K426-S433 PolarHBondContact N-O 2.89Å; K426-S433 PolarHBondContact O-N 2.73Å
427	S	68.5	Low	79	Confident	110 Å²	110	76.8 Å²	76.8	77%	0.769	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.4	166.3	51.6	0	0	0	0	109.3
428	G	66.4	Low	79	Confident	48 Å²	48	78.4 Å²	78.4	50%	0.495	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	168.2	170.7	0	0	0	0	0	111.7	K426 Y430 G431	K426-G428 PolarHBondContact O-N 2.91Å; G428-Y430 PolarHBondContact O-N 2.95Å; G428-Y430 VanDerWaalsContact O-N 3.11Å; G428-G431 PolarHBondContact N-O 3.49Å; G428-G431 PolarHBondContact O-N 3.33Å; G428-G431 VanDerWaalsContact O-N 3.15Å
429	Q	71.5	Confident	78.8	Confident	191 Å²	191	80 Å²	80	89%	0.893	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	178	-167.5	172.7	0.3	0	0	113.6
430	Y	64.6	Low	78.6	Confident	211 Å²	211	79.4 Å²	79.4	83%	0.827	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	2.7	179.4	-68.1	-81.6	0	0	0	114.5	G428	G428-Y430 PolarHBondContact O-N 2.95Å; G428-Y430 VanDerWaalsContact O-N 3.11Å
431	G	68.8	Low	78.3	Confident	36 Å²	36	81.1 Å²	81.1	37%	0.371	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.9	-179.1	177	0	0	0	0	0	115.2	G428	G428-G431 PolarHBondContact N-O 3.49Å; G428-G431 PolarHBondContact O-N 3.33Å; G428-G431 VanDerWaalsContact O-N 3.15Å
432	K	68.5	Low	78	Confident	188 Å²	188	77.7 Å²	77.7	82%	0.817	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.2	171.8	-67.2	-179.3	-179	-177.9	0	109.1
433	S	67.3	Low	77.7	Confident	21 Å²	21	77.1 Å²	77.1	15%	0.147	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.9	169.2	-169.1	0	0	0	0	109	G176 K426	G176-S433 WeakPolarHBondContact O-CB 3.34Å; K426-S433 PolarHBondContact N-O 2.89Å; K426-S433 PolarHBondContact O-N 2.73Å
434	S	75.6	Confident	77.2	Confident	73 Å²	73	73.5 Å²	73.5	51%	0.51	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.2	166.2	53.2	0	0	0	0	109.9
435	S	80.6	Confident	76.7	Confident	18 Å²	18	69.8 Å²	69.8	13%	0.126	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	166.5	171.3	55.8	0	0	0	0	107.9	K424	K424-S435 CarbonylContact C-O 3.51Å; K424-S435 WeakPolarHBondContact CA-O 3.37Å; K424-S435 WeakPolarHBondContact CB-OG 3.39Å; K424-S435 PolarHBondContact N-O 2.9Å; K424-S435 PolarHBondContact O-N 3.13Å; K424-S435 PolarHBondContact O-OG 3.01Å
436	F	83	Confident	76	Confident	44 Å²	44	64.1 Å²	64.1	19%	0.193	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.7	173.8	59.3	-88.7	0	0	0	110.3	R181 R421 H422 E438	R181-F436 HydrophobicContact CG-CE2 4.5Å; R181-F436 HydrophobicContact CG-CZ 4.31Å; R421-F436 HydrophobicContact CG-CD2 4.3Å; R421-F436 VanDerWaalsContact NH2-CZ 3.34Å; H422-F436 CarbonylContact O-C 3.52Å; H422-F436 WeakPolarHBondContact O-CA 3.38Å; H422-F436 WeakPolarHBondContact O-CB 3.14Å; F436-E438 HydrophobicContact CD2-CB 4.07Å; F436-E438 HydrophobicContact CE2-CB 4.18Å; F436-E438 VanDerWaalsContact CE2-OE2 3.24Å; F436-E438 WeakPolarHBondContact CE2-OE2 3.29Å
437	A	84.5	Confident	76	Confident	11 Å²	11	59.8 Å²	59.8	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.9	163.7	0	0	0	0	0	107.6	Y402 R421 H422	Y402-A437 HydrophobicContact CE1-CB 4.22Å; Y402-A437 VanDerWaalsContact OH-C 3.24Å; Y402-A437 WeakPolarHBondContact OH-CB 3.44Å; R421-A437 CarbonylContact C-O 3.55Å; R421-A437 WeakPolarHBondContact CA-O 3.44Å; H422-A437 PolarHBondContact N-O 3.43Å; H422-A437 PolarHBondContact O-N 2.95Å
438	E	89.3	Confident	75.9	Confident	51 Å²	51	55 Å²	55	24%	0.238	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.6	178.8	-165	-177.1	141.8	0	0	110.7	Y402 G420 R421 F436	Y402-E438 VanDerWaalsContact OH-C 3.27Å; Y402-E438 WeakPolarHBondContact OH-CA 3.14Å; Y402-E438 PolarHBondContact OH-N 3.35Å; G420-E438 CarbonylContact O-C 3.6Å; G420-E438 VanDerWaalsContact O-CA 3.25Å; G420-E438 WeakPolarHBondContact O-CA 3.45Å; R421-E438 HydrophobicContact CB-CG 4.32Å; R421-E438 HydrophobicContact CG-CG 4.26Å; R421-E438 IonicContact CZ-OE2 3.98Å; R421-E438 IonicContact NE-OE2 2.63Å; F436-E438 HydrophobicContact CD2-CB 4.07Å; F436-E438 HydrophobicContact CE2-CB 4.18Å; F436-E438 VanDerWaalsContact CE2-OE2 3.24Å; F436-E438 WeakPolarHBondContact CE2-OE2 3.29Å
439	F	88.2	Confident	76.7	Confident	34 Å²	34	52.7 Å²	52.7	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.2	166.3	79	-83.6	0	0	0	110.8	V396 V398 Y402 L407 V418 S419 G420	V396-F439 HydrophobicContact CG1-CE2 4.38Å; V398-F439 HydrophobicContact CG2-CZ 4.3Å; Y402-F439 HydrophobicContact CD1-CD1 4.32Å; Y402-F439 HydrophobicContact CD1-CE1 4.18Å; Y402-F439 HydrophobicContact CD2-CD1 4.09Å; Y402-F439 AromaticContact CD2-CE1 3.93Å; Y402-F439 HydrophobicContact CD2-CE1 3.93Å; Y402-F439 AromaticContact CE1-CD1 3.9Å; Y402-F439 HydrophobicContact CE1-CD1 3.9Å; Y402-F439 HydrophobicContact CE1-CE1 4.23Å; Y402-F439 AromaticContact CE2-CD1 3.65Å; Y402-F439 HydrophobicContact CE2-CD1 3.65Å; Y402-F439 AromaticContact CE2-CE1 3.98Å; Y402-F439 HydrophobicContact CE2-CE1 3.98Å; Y402-F439 HydrophobicContact CG-CD1 4.41Å; Y402-F439 HydrophobicContact CG-CE1 4.04Å; Y402-F439 AromaticContact CZ-CD1 3.55Å; L407-F439 HydrophobicContact CD2-CE1 3.61Å; L407-F439 HydrophobicContact CD2-CZ 3.73Å; V418-F439 HydrophobicContact CG1-CE2 4.15Å; V418-F439 HydrophobicContact CG1-CZ 4.37Å; S419-F439 WeakPolarHBondContact CA-O 3.26Å; S419-F439 VanDerWaalsContact CB-O 3.32Å; S419-F439 WeakPolarHBondContact CB-O 3.17Å; G420-F439 PolarHBondContact N-O 2.95Å; G420-F439 PolarHBondContact O-N 3.18Å
440	S	88.5	Confident	77.4	Confident	11 Å²	11	43.8 Å²	43.8	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	112.4	170.9	-174.3	0	0	0	0	112.1	R185 V418	R185-S440 VanDerWaalsContact CZ-CB 3.49Å; R185-S440 PolarHBondContact NH1-O 2.87Å; R185-S440 PolarHBondContact NH1-OG 2.61Å; R185-S440 PolarHBondContact NH2-OG 2.56Å; V418-S440 CarbonylContact O-C 3.51Å; V418-S440 WeakPolarHBondContact O-CA 3.35Å
441	Q	85.7	Confident	78.6	Confident	38 Å²	38	34 Å²	34	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.3	-177.4	-175.6	161.9	-1.6	0	0	110.4	M186 V417 V418 Y443	M186-Q441 HydrophobicContact CE-CG 3.95Å; V417-Q441 WeakPolarHBondContact CA-O 3.28Å; V418-Q441 PolarHBondContact N-O 3.17Å; V418-Q441 PolarHBondContact O-N 3.27Å; Q441-Y443 VanDerWaalsContact CD-OH 3.28Å; Q441-Y443 HydrophobicContact CG-CE2 3.81Å; Q441-Y443 PolarHBondContact NE2-OH 2.79Å
442	S	85.2	Confident	79.6	Confident	30 Å²	30	32.5 Å²	32.5	21%	0.21	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.5	-175.7	59.3	0	0	0	0	112.3	V416	V416-S442 CarbonylContact O-C 3.5Å; V416-S442 WeakPolarHBondContact O-CA 3.28Å
443	Y	82.1	Confident	80.6	Confident	25 Å²	25	24.6 Å²	24.6	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126	-180	-58.4	-87.6	0	0	0	110	L380 V394 V396 R415 V416 Q441	L380-Y443 HydrophobicContact CB-CD1 3.87Å; L380-Y443 HydrophobicContact CB-CG 4.27Å; V394-Y443 HydrophobicContact CG1-CD1 4.47Å; V394-Y443 HydrophobicContact CG1-CD2 3.69Å; V394-Y443 HydrophobicContact CG1-CE1 4.15Å; V394-Y443 HydrophobicContact CG1-CE2 3.29Å; V394-Y443 HydrophobicContact CG1-CG 4.24Å; V394-Y443 HydrophobicContact CG2-CD2 4.48Å; V396-Y443 HydrophobicContact CG2-CE2 4.04Å; R415-Y443 CarbonylContact C-O 3.57Å; R415-Y443 WeakPolarHBondContact CA-O 3.48Å; V416-Y443 PolarHBondContact N-O 2.84Å; V416-Y443 PolarHBondContact O-N 3.1Å; Q441-Y443 VanDerWaalsContact CD-OH 3.28Å; Q441-Y443 HydrophobicContact CG-CE2 3.81Å; Q441-Y443 PolarHBondContact NE2-OH 2.79Å
444	A	74.9	Confident	81.8	Confident	18 Å²	18	23.8 Å²	23.8	15%	0.149	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.3	171.5	0	0	0	0	0	110.3	D116 L380	D116-A444 WeakPolarHBondContact OD1-CB 3.42Å; L380-A444 WeakPolarHBondContact CD2-O 3.41Å
445	I	73.3	Confident	82.6	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.021	13%	0.127	C	C	.	.			trans	-117.1	143	175.9	51.6	170.1	0	0	0	109.5	L380 L392 V411 N414 V416 E447 V449	L380-I445 HydrophobicContact CD1-CG2 4.32Å; L380-I445 HydrophobicContact CD2-CG2 4.03Å; L392-I445 HydrophobicContact CD2-CG2 4.28Å; V411-I445 HydrophobicContact CG1-CD1 4.44Å; N414-I445 VanDerWaalsContact O-CG1 3.29Å; N414-I445 WeakPolarHBondContact O-CG1 3.46Å; N414-I445 PolarHBondContact O-N 3.16Å; V416-I445 HydrophobicContact CG2-CD1 4.09Å; V416-I445 HydrophobicContact CG2-CG2 4.06Å; I445-E447 WeakPolarHBondContact CD1-O 3.32Å; I445-E447 WeakPolarHBondContact CG1-O 3.39Å; I445-V449 HydrophobicContact CD1-CB 4.06Å; I445-V449 HydrophobicContact CD1-CG2 3.55Å
446	P	62.1	Low	83.3	Confident	30 Å²	30	21.9 Å²	21.9	20%	0.195	12%	0.123	C	C	.	.	S	Bend	trans	-76.8	-28.9	-170.3	29.5	-36	0	0	0	113	R109 Y382	R109-P446 PolarHBondContact NH1-O 2.85Å; Y382-P446 HydrophobicContact CE1-CG 4.27Å; Y382-P446 WeakPolarHBondContact OH-CD 3.28Å
447	E	66.7	Low	83.9	Confident	63 Å²	63	19.9 Å²	19.9	29%	0.294	11%	0.114	S	C	.	.	S	Bend	trans	-124	155	178.3	-66.9	176.6	-174	0	0	107.8	I445 L469	I445-E447 WeakPolarHBondContact CD1-O 3.32Å; I445-E447 WeakPolarHBondContact CG1-O 3.39Å; E447-L469 HydrophobicContact CB-CB 4.45Å
448	T	67.8	Low	84.4	Confident	10 Å²	10	20.1 Å²	20.1	6%	0.061	11%	0.114	C	C	.	.			trans	-66.6	160.7	175.2	-156.9	0	0	0	0	111.4	S247 L250 S413 E470	S247-T448 VanDerWaalsContact CB-CG2 3.47Å; S247-T448 WeakPolarHBondContact OG-CG2 3.46Å; L250-T448 HydrophobicContact CD1-CG2 3.9Å; S413-T448 PolarHBondContact O-OG1 3.41Å; T448-E470 HydrophobicContact CG2-CB 4.25Å; T448-E470 PolarHBondContact O-N 3.41Å
449	V	82.8	Confident	84.5	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.			trans	-127.8	133.2	174.4	168.9	0	0	0	0	106.5	L392 V411 I445 P451 V454 A467 L469	L392-V449 HydrophobicContact CD2-CB 4.38Å; L392-V449 HydrophobicContact CD2-CG1 4.42Å; L392-V449 HydrophobicContact CD2-CG2 3.26Å; V411-V449 HydrophobicContact CG1-CB 4.3Å; V411-V449 HydrophobicContact CG2-CB 4.25Å; V411-V449 HydrophobicContact CG2-CG1 4.05Å; I445-V449 HydrophobicContact CD1-CB 4.06Å; I445-V449 HydrophobicContact CD1-CG2 3.55Å; V449-P451 VanDerWaalsContact O-CD 3.22Å; V449-P451 WeakPolarHBondContact O-CD 3.34Å; V449-V454 HydrophobicContact CG1-CG2 3.75Å; V449-A467 HydrophobicContact CG1-CB 3.44Å; V449-A467 VanDerWaalsContact CG1-CB 3.44Å; V449-A467 HydrophobicContact CG2-CB 4.47Å; V449-L469 HydrophobicContact CG2-CD2 4.07Å
450	D	86.9	Confident	84.7	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.016	14%	0.136	C	C	.	.			trans	-62.7	117.4	166.5	174.8	14.2	0	0	0	108.8	Y254 P313 S315 L452 S453	Y254-D450 PolarHBondContact OH-OD1 2.83Å; P313-D450 HydrophobicContact CB-CB 4.1Å; P313-D450 WeakPolarHBondContact CB-OD2 3.49Å; S315-D450 WeakPolarHBondContact CB-OD2 3.35Å; S315-D450 PolarHBondContact OG-OD1 2.92Å; S315-D450 PolarHBondContact OG-OD2 2.83Å; D450-L452 PolarHBondContact O-N 2.77Å; D450-L452 VanDerWaalsContact O-N 3.07Å; D450-L452 PolarHBondContact OD1-N 2.88Å; D450-L452 VanDerWaalsContact OD1-N 3.14Å; D450-S453 WeakPolarHBondContact O-CB 3.42Å; D450-S453 PolarHBondContact O-N 2.79Å; D450-S453 PolarHBondContact O-OG 2.9Å
451	P	89.8	Confident	84.8	Confident	7 Å²	7	24.8 Å²	24.8	5%	0.045	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-48.9	-34.5	176.6	-24.8	30.3	0	0	0	113.5	Y254 V411 V449 S453	Y254-P451 HydrophobicContact CD2-CB 4.3Å; Y254-P451 HydrophobicContact CD2-CG 3.9Å; Y254-P451 HydrophobicContact CE2-CB 4.43Å; Y254-P451 HydrophobicContact CE2-CG 3.91Å; V411-P451 HydrophobicContact CB-CG 4.19Å; V449-P451 VanDerWaalsContact O-CD 3.22Å; V449-P451 WeakPolarHBondContact O-CD 3.34Å; P451-S453 VanDerWaalsContact C-N 3.29Å; P451-S453 PolarHBondContact O-N 2.82Å
452	L	89.6	Confident	85.3	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.016	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-82.7	0.2	179.2	-58.7	-171.2	0	0	0	114.1	Y254 V337 Q343 L345 V353 D450	Y254-L452 HydrophobicContact CD1-CD1 3.66Å; Y254-L452 HydrophobicContact CD1-CG 4.08Å; Y254-L452 HydrophobicContact CE1-CD1 3.38Å; Y254-L452 HydrophobicContact CE1-CG 3.86Å; Y254-L452 HydrophobicContact CE2-CG 4.47Å; Y254-L452 HydrophobicContact CG-CD1 4.47Å; Y254-L452 HydrophobicContact CG-CG 4.43Å; V337-L452 HydrophobicContact CB-CD1 3.57Å; V337-L452 HydrophobicContact CG1-CD1 3.65Å; V337-L452 HydrophobicContact CG2-CD1 3.72Å; Q343-L452 PolarHBondContact NE2-O 2.64Å; L345-L452 HydrophobicContact CD1-CD2 3.57Å; L345-L452 HydrophobicContact CD2-CD2 3.85Å; L345-L452 HydrophobicContact CG-CD2 4.39Å; V353-L452 HydrophobicContact CG1-CD2 3.88Å; D450-L452 PolarHBondContact O-N 2.77Å; D450-L452 VanDerWaalsContact O-N 3.07Å; D450-L452 PolarHBondContact OD1-N 2.88Å; D450-L452 VanDerWaalsContact OD1-N 3.14Å
453	S	89.2	Confident	85.8	Confident	23 Å²	23	22.8 Å²	22.8	16%	0.161	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-96	-6.7	171.9	75.1	0	0	0	0	113.3	D450 P451 S455	D450-S453 WeakPolarHBondContact O-CB 3.42Å; D450-S453 PolarHBondContact O-N 2.79Å; D450-S453 PolarHBondContact O-OG 2.9Å; P451-S453 VanDerWaalsContact C-N 3.29Å; P451-S453 PolarHBondContact O-N 2.82Å; S453-S455 PolarHBondContact O-N 2.74Å
454	V	92	Very high	86.5	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.024	14%	0.14	C	C	.	.			trans	-75.1	121.5	-177.7	-179.3	0	0	0	0	110.8	V355 V409 V411 V449 A467	V355-V454 HydrophobicContact CG2-CB 4.11Å; V355-V454 HydrophobicContact CG2-CG1 4.48Å; V409-V454 HydrophobicContact CG1-CG1 3.89Å; V411-V454 HydrophobicContact CG2-CG2 3.8Å; V449-V454 HydrophobicContact CG1-CG2 3.75Å; V454-A467 HydrophobicContact CB-CB 4.45Å; V454-A467 HydrophobicContact CG2-CB 3.96Å
455	S	92.2	Very high	87.4	Confident	47 Å²	47	20.7 Å²	20.7	33%	0.329	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134	165.4	-70.7	0	0	0	0	109.3	L372 S453 L465 E466	L372-S455 WeakPolarHBondContact CD1-O 3.41Å; S453-S455 PolarHBondContact O-N 2.74Å; S455-L465 CarbonylContact O-C 3.57Å; S455-L465 WeakPolarHBondContact O-CA 3.24Å; S455-L465 WeakPolarHBondContact O-CB 3.31Å; S455-E466 PolarHBondContact N-O 3.18Å; S455-E466 PolarHBondContact O-N 2.7Å
456	A	95.1	Very high	88.4	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.033	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.1	175.7	0	0	0	0	0	111.8	V355 P357 K358 V409 V464 L465	V355-A456 HydrophobicContact CG1-CB 4.15Å; P357-A456 WeakPolarHBondContact CA-O 2.91Å; P357-A456 HydrophobicContact CB-CB 4.19Å; P357-A456 HydrophobicContact CG-CB 4.19Å; K358-A456 PolarHBondContact N-O 3.1Å; V409-A456 HydrophobicContact CG2-CB 3.92Å; A456-V464 CarbonylContact C-O 3.55Å; A456-V464 WeakPolarHBondContact CA-O 3.47Å; A456-L465 HydrophobicContact CB-CB 4.01Å
457	Q	95.3	Very high	89.8	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.2	-175.2	-59.6	-174.7	13.8	0	0	109.2	K358 I363 Q370 L372 V464	K358-Q457 HydrophobicContact CB-CG 4.24Å; K358-Q457 HydrophobicContact CD-CG 4.41Å; I363-Q457 HydrophobicContact CD1-CB 3.84Å; I363-Q457 HydrophobicContact CD1-CG 4.44Å; I363-Q457 HydrophobicContact CG1-CB 4.19Å; I363-Q457 HydrophobicContact CG1-CG 4.24Å; Q370-Q457 PolarHBondContact O-NE2 2.82Å; L372-Q457 HydrophobicContact CB-CB 4.33Å; L372-Q457 HydrophobicContact CB-CG 4.24Å; L372-Q457 HydrophobicContact CD1-CB 4.39Å; L372-Q457 HydrophobicContact CD1-CG 4.06Å; L372-Q457 HydrophobicContact CG-CG 4.07Å; Q457-V464 PolarHBondContact N-O 2.91Å; Q457-V464 PolarHBondContact O-N 2.95Å
458	V	95.1	Very high	90.8	Very high	16 Å²	16	19 Å²	19	10%	0.097	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.5	167.1	-179.2	0	0	0	0	107.9	P357 K358 I363 P404 L407 G460	P357-V458 HydrophobicContact CB-CG2 3.86Å; K358-V458 PolarHBondContact O-N 3.47Å; I363-V458 WeakPolarHBondContact CD1-O 3.21Å; P404-V458 HydrophobicContact CB-CG2 4.35Å; P404-V458 HydrophobicContact CG-CB 4.26Å; P404-V458 HydrophobicContact CG-CG2 4.02Å; L407-V458 HydrophobicContact CD1-CG2 3.8Å; V458-G460 WeakPolarHBondContact CG1-O 3.49Å
459	V	93.1	Very high	91.3	Very high	54 Å²	54	19.3 Å²	19.3	33%	0.327	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	99.1	177.7	-177.3	0	0	0	0	107.5	N461 T462 V464	V459-N461 PolarHBondContact O-N 3.12Å; V459-N461 VanDerWaalsContact O-N 3.08Å; V459-T462 PolarHBondContact N-O 2.85Å; V459-T462 PolarHBondContact O-N 3.34Å; V459-T462 VanDerWaalsContact O-N 3.13Å; V459-V464 HydrophobicContact CB-CG2 4.39Å; V459-V464 HydrophobicContact CG2-CG2 4.14Å
460	G	90.8	Very high	90.5	Very high	51 Å²	51	21.2 Å²	21.2	53%	0.526	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-106.7	-170.8	0	0	0	0	0	111.6	V458	V458-G460 WeakPolarHBondContact CG1-O 3.49Å
461	N	92.1	Very high	89	Confident	89 Å²	89	26.6 Å²	26.6	48%	0.476	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	11.1	178.5	-78.9	96.2	0	0	0	113.8	V398 P400 V459	V398-N461 PolarHBondContact N-O 3.05Å; V398-N461 PolarHBondContact O-ND2 3.42Å; P400-N461 WeakPolarHBondContact CG-ND2 3.48Å; V459-N461 PolarHBondContact O-N 3.12Å; V459-N461 VanDerWaalsContact O-N 3.08Å
462	T	94.7	Very high	87	Confident	25 Å²	25	30.6 Å²	30.6	15%	0.153	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.2	178.2	-56.7	0	0	0	0	109.5	E395 V396 V459 V464	E395-T462 HydrophobicContact CB-CG2 3.81Å; E395-T462 HydrophobicContact CG-CG2 4.09Å; V396-T462 WeakPolarHBondContact O-CA 3.41Å; V459-T462 PolarHBondContact N-O 2.85Å; V459-T462 PolarHBondContact O-N 3.34Å; V459-T462 VanDerWaalsContact O-N 3.13Å; T462-V464 HydrophobicContact CG2-CG2 4.06Å; T462-V464 PolarHBondContact O-N 3.49Å
463	L	96.4	Very high	84.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119.5	162.6	-178.2	161.6	0	0	0	107.7	P357 E395 V396 V398 L407 V409 V418 L465	P357-L463 HydrophobicContact CB-CD1 4.32Å; P357-L463 HydrophobicContact CG-CD1 3.47Å; P357-L463 VanDerWaalsContact CG-CD1 3.47Å; P357-L463 HydrophobicContact CG-CG 4.1Å; E395-L463 WeakPolarHBondContact CA-O 3.46Å; V396-L463 HydrophobicContact CB-CB 4.36Å; V396-L463 HydrophobicContact CG2-CD2 4.48Å; V396-L463 PolarHBondContact N-O 3.03Å; V396-L463 PolarHBondContact O-N 2.84Å; V398-L463 HydrophobicContact CG2-CB 3.77Å; L407-L463 HydrophobicContact CB-CD1 4.48Å; L407-L463 HydrophobicContact CD1-CD1 4.01Å; V409-L463 HydrophobicContact CG2-CD1 4.23Å; V409-L463 HydrophobicContact CG2-CD2 4.21Å; V418-L463 HydrophobicContact CG1-CD1 3.64Å; V418-L463 HydrophobicContact CG1-CD2 4.3Å; V418-L463 HydrophobicContact CG2-CD2 4.43Å; L463-L465 HydrophobicContact CD2-CB 4.2Å; L463-L465 HydrophobicContact CD2-CD2 3.77Å; L463-L465 HydrophobicContact CD2-CG 4.35Å
464	V	96.3	Very high	81.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.6	173.7	-169.7	0	0	0	0	107.7	L372 A374 H393 V394 E395 A456 Q457 V459 T462	L372-V464 HydrophobicContact CB-CB 4.24Å; L372-V464 HydrophobicContact CB-CG1 3.95Å; L372-V464 HydrophobicContact CD1-CG1 4.34Å; L372-V464 WeakPolarHBondContact CD1-O 3.45Å; A374-V464 HydrophobicContact CB-CG2 3.78Å; H393-V464 VanDerWaalsContact CE1-CG1 3.45Å; H393-V464 WeakPolarHBondContact CE1-CG1 3.39Å; V394-V464 WeakPolarHBondContact O-CA 3.5Å; E395-V464 HydrophobicContact CG-CG2 4.44Å; A456-V464 CarbonylContact C-O 3.55Å; A456-V464 WeakPolarHBondContact CA-O 3.47Å; Q457-V464 PolarHBondContact N-O 2.91Å; Q457-V464 PolarHBondContact O-N 2.95Å; V459-V464 HydrophobicContact CB-CG2 4.39Å; V459-V464 HydrophobicContact CG2-CG2 4.14Å; T462-V464 HydrophobicContact CG2-CG2 4.06Å; T462-V464 PolarHBondContact O-N 3.49Å
465	L	95.1	Very high	78.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	171.4	69.1	92.3	0	0	0	111	L392 H393 V394 V409 V416 V418 S455 A456 L463	L392-L465 HydrophobicContact CD1-CD1 3.34Å; H393-L465 WeakPolarHBondContact CA-O 3.06Å; V394-L465 HydrophobicContact CB-CD1 3.89Å; V394-L465 HydrophobicContact CB-CD2 4.02Å; V394-L465 HydrophobicContact CB-CG 3.78Å; V394-L465 HydrophobicContact CG1-CD2 4.43Å; V394-L465 HydrophobicContact CG2-CD1 3.93Å; V394-L465 HydrophobicContact CG2-CG 4.38Å; V394-L465 PolarHBondContact N-O 3.38Å; V394-L465 PolarHBondContact O-N 2.96Å; V409-L465 HydrophobicContact CG1-CD2 3.81Å; V409-L465 HydrophobicContact CG2-CD2 4.08Å; V416-L465 HydrophobicContact CG1-CD1 4.02Å; V416-L465 HydrophobicContact CG1-CD2 3.96Å; V418-L465 HydrophobicContact CG2-CD2 3.58Å; S455-L465 CarbonylContact O-C 3.57Å; S455-L465 WeakPolarHBondContact O-CA 3.24Å; S455-L465 WeakPolarHBondContact O-CB 3.31Å; A456-L465 HydrophobicContact CB-CB 4.01Å; L463-L465 HydrophobicContact CD2-CB 4.2Å; L463-L465 HydrophobicContact CD2-CD2 3.77Å; L463-L465 HydrophobicContact CD2-CG 4.35Å
466	E	94.1	Very high	75.5	Confident	22 Å²	22	46.8 Å²	46.8	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.6	171.7	-69.3	-164	175.4	0	0	111.4	L372 K375 R391 L392 H393 S455	L372-E466 HydrophobicContact CD2-CB 3.98Å; L372-E466 HydrophobicContact CD2-CG 3.93Å; K375-E466 IonicContact NZ-OE1 3.56Å; K375-E466 PolarHBondContact NZ-OE1 3.05Å; R391-E466 IonicContact CZ-OE2 2.93Å; R391-E466 IonicContact NE-OE2 3.08Å; R391-E466 PolarHBondContact NE-OE2 2.86Å; R391-E466 IonicContact NH2-OE2 3.22Å; L392-E466 VanDerWaalsContact O-CA 3.25Å; L392-E466 WeakPolarHBondContact O-CA 3.34Å; H393-E466 HydrophobicContact CB-CG 3.97Å; H393-E466 IonicContact CE1-OE1 3.5Å; H393-E466 IonicContact CG-OE1 3.48Å; H393-E466 VanDerWaalsContact ND1-CG 3.33Å; H393-E466 WeakPolarHBondContact ND1-CG 3.38Å; H393-E466 IonicContact ND1-OE1 3.48Å; H393-E466 PolarHBondContact ND1-OE1 2.95Å; S455-E466 PolarHBondContact N-O 3.18Å; S455-E466 PolarHBondContact O-N 2.7Å
467	A	91.2	Very high	72.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.5	171.9	0	0	0	0	0	110.8	R391 L392 V449 V454	R391-A467 CarbonylContact C-O 3.54Å; R391-A467 WeakPolarHBondContact CA-O 3.39Å; R391-A467 WeakPolarHBondContact CB-O 3.3Å; L392-A467 HydrophobicContact CD2-CB 3.95Å; L392-A467 HydrophobicContact CG-CB 4.1Å; L392-A467 PolarHBondContact N-O 2.94Å; L392-A467 PolarHBondContact O-N 2.8Å; V449-A467 HydrophobicContact CG1-CB 3.44Å; V449-A467 VanDerWaalsContact CG1-CB 3.44Å; V449-A467 HydrophobicContact CG2-CB 4.47Å; V454-A467 HydrophobicContact CB-CB 4.45Å; V454-A467 HydrophobicContact CG2-CB 3.96Å
468	P	87.7	Confident	71.2	Confident	38 Å²	38	59.2 Å²	59.2	25%	0.247	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	142.5	168.8	29.6	-35	0	0	0	110.4
469	L	78.1	Confident	69.9	Low	18 Å²	18	61.4 Å²	61.4	9%	0.094	34%	0.34	C	S	.	.			trans	-80.4	129.8	164.5	-62.2	178.2	0	0	0	108.8	Y382 K390 L392 E447 V449 K471	Y382-L469 HydrophobicContact CD1-CD1 4.02Å; Y382-L469 HydrophobicContact CE1-CD1 3.97Å; K390-L469 HydrophobicContact CB-CD1 4.04Å; K390-L469 PolarHBondContact O-N 2.85Å; K390-L469 VanDerWaalsContact O-N 3.07Å; L392-L469 HydrophobicContact CB-CD2 4.3Å; L392-L469 HydrophobicContact CD2-CD2 4.2Å; E447-L469 HydrophobicContact CB-CB 4.45Å; V449-L469 HydrophobicContact CG2-CD2 4.07Å; L469-K471 PolarHBondContact O-N 3.44Å
470	E	65.3	Low	68.7	Low	40 Å²	40	61.8 Å²	61.8	19%	0.187	34%	0.341	C	S	.	.			trans	-79	88.1	176.4	-75.3	-63	168.3	0	0	110	K314 T448 Q472	K314-E470 IonicContact NZ-OE1 3.6Å; K314-E470 PolarHBondContact NZ-OE1 2.81Å; K314-E470 IonicContact NZ-OE2 2.76Å; K314-E470 PolarHBondContact NZ-OE2 3.35Å; T448-E470 HydrophobicContact CG2-CB 4.25Å; T448-E470 PolarHBondContact O-N 3.41Å; E470-Q472 PolarHBondContact O-N 2.82Å; E470-Q472 VanDerWaalsContact O-N 3.08Å
471	K	55.4	Low	67.3	Low	115 Å²	115	62.5 Å²	62.5	50%	0.5	33%	0.33	S	S	.	.			trans	-48	117.9	173.1	-72	-177.1	177.5	175.5	0	109.5	G388 L469 H473	G388-K471 PolarHBondContact O-NZ 2.67Å; L469-K471 PolarHBondContact O-N 3.44Å; K471-H473 PolarHBondContact O-N 3.4Å
472	Q	47.8	Very low	65.8	Low	91 Å²	91	60.8 Å²	60.8	43%	0.425	32%	0.321	S	S	.	.			trans	-59.6	112.3	162.3	-71.7	-162.4	-30.2	0	0	107.7	D102 E470 A474	D102-Q472 PolarHBondContact OD2-NE2 3.06Å; E470-Q472 PolarHBondContact O-N 2.82Å; E470-Q472 VanDerWaalsContact O-N 3.08Å; Q472-A474 PolarHBondContact O-N 3.35Å
473	H	39.1	Very low	63.9	Low	130 Å²	130	63.2 Å²	63.2	60%	0.602	33%	0.332	S	S	*	.			trans	-58.8	112	173.5	-85.3	-124	0	0	0	108.1	K471 I475	K471-H473 PolarHBondContact O-N 3.4Å; H473-I475 PolarHBondContact O-N 3.1Å
474	A	29.1	Very low	61.6	Low	83 Å²	83	67.7 Å²	67.7	69%	0.686	36%	0.356	S	S	*	.			trans	-58.2	122	167.2	0	0	0	0	0	107.4	Q472 T476	Q472-A474 PolarHBondContact O-N 3.35Å; A474-T476 PolarHBondContact O-N 3.32Å
475	I	30.1	Very low	58.9	Low	72 Å²	72	72.9 Å²	72.9	37%	0.369	38%	0.383	S	S	.	.			trans	-64.8	104.7	168.4	-62.7	-175.9	0	0	0	106.4	H99 H473 H477	H99-I475 WeakPolarHBondContact CD2-CD1 3.32Å; H473-I475 PolarHBondContact O-N 3.1Å; I475-H477 PolarHBondContact O-N 3.2Å
476	T	24.7	Very low	55.9	Low	132 Å²	132	79 Å²	79	81%	0.81	42%	0.415	S	S	*	.			trans	-63.5	116.9	161.9	-40.9	0	0	0	0	106.7	A474	A474-T476 PolarHBondContact O-N 3.32Å
477	H	27.8	Very low	52.4	Low	207 Å²	207	84.2 Å²	84.2	96%	0.958	44%	0.443	S	S	*	.			trans	-65.8	0	175.6	-77.6	-85.1	0	0	0	111.8	I475	I475-H477 PolarHBondContact O-N 3.2Å

Retrieved 477 of 477 residues in 170 ms (Link to these results)

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