A0A087WSP8_MOUSE Loading...

Predicted gene 29106

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WSP8, Species MOUSE (Mus musculus, Mouse), Gene Gm29106, Length 697 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	34.2	Very low	55.1	Low	246 Å²	246	123.8 Å²	123.8	100%	1.212	71%	0.714	S	S	*	*				0	104.5	0	-72.6	-179.7	-118.2	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.4Å
2	A	41.5	Very low	56.7	Low	106 Å²	106	122.1 Å²	122.1	88%	0.876	70%	0.7	S	S	*	*			trans	-72.4	107.4	172.8	0	0	0	0	0	107.2	C4	A2-C4 PolarHBondContact O-N 3.15Å
3	S	39.7	Very low	58.2	Low	108 Å²	108	117.2 Å²	117.2	76%	0.755	67%	0.673	S	S	*	*			trans	-65.4	113.2	168.6	43.8	0	0	0	0	107.6	M1 Q5	M1-S3 PolarHBondContact O-N 3.4Å; S3-Q5 PolarHBondContact O-N 3.3Å
4	C	40.2	Very low	59.6	Low	125 Å²	125	110.3 Å²	110.3	85%	0.845	64%	0.638	S	S	*	*			trans	-58.6	100.9	170	-111	0	0	0	0	108.6	A2 V6	A2-C4 PolarHBondContact O-N 3.15Å; C4-V6 PolarHBondContact O-N 3.08Å
5	Q	45.8	Very low	61	Low	180 Å²	180	111 Å²	111	84%	0.841	64%	0.637	S	S	*	*			trans	-72.8	108.1	163.4	-81	178.4	-25.5	0	0	107.4	S3	S3-Q5 PolarHBondContact O-N 3.3Å
6	V	51.1	Low	62.1	Low	126 Å²	126	113.3 Å²	113.3	76%	0.764	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-65	128.7	169.6	-179.2	0	0	0	0	107.5	C4 L8	C4-V6 PolarHBondContact O-N 3.08Å; V6-L8 PolarHBondContact O-N 3.17Å
7	P	63.3	Low	63	Low	101 Å²	101	111.5 Å²	111.5	66%	0.656	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-60.8	126.1	179	-20.7	31.2	0	0	0	110.8	T9	P7-T9 PolarHBondContact O-N 3.44Å
8	L	63.8	Low	64	Low	118 Å²	118	107.6 Å²	107.6	62%	0.618	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-60.4	118.9	169.6	-102	138.2	0	0	0	109	V6 D12 V13	V6-L8 PolarHBondContact O-N 3.17Å; L8-D12 HydrophobicContact CD2-CB 4.09Å; L8-V13 HydrophobicContact CD2-CG1 4.2Å
9	T	76	Confident	64.8	Low	64 Å²	64	110 Å²	110	39%	0.393	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-99.7	165.5	175.6	72.3	0	0	0	0	110.6	P7 M11 D12	P7-T9 PolarHBondContact O-N 3.44Å; T9-M11 PolarHBondContact O-N 3.23Å; T9-M11 PolarHBondContact OG1-N 2.97Å; T9-D12 WeakPolarHBondContact CA-OD2 3.4Å; T9-D12 WeakPolarHBondContact CB-OD2 3.28Å; T9-D12 PolarHBondContact N-OD2 3.4Å; T9-D12 WeakPolarHBondContact O-CB 3.49Å; T9-D12 PolarHBondContact O-N 3.21Å; T9-D12 VanDerWaalsContact O-N 3.08Å; T9-D12 PolarHBondContact OG1-OD2 3.4Å
10	F	75.6	Confident	65.4	Low	62 Å²	62	111.2 Å²	111.2	27%	0.272	61%	0.61	S	S	.	*	H	α-helix	trans	-58.9	-31	174.8	-177.6	-105.5	0	0	0	112.3	D12 V13 A14 M37 N40 Y41 L44	F10-D12 VanDerWaalsContact C-N 3.25Å; F10-D12 PolarHBondContact O-N 2.98Å; F10-V13 PolarHBondContact O-N 3.42Å; F10-A14 HydrophobicContact CD1-CB 4.14Å; F10-A14 HydrophobicContact CE1-CB 3.83Å; F10-A14 HydrophobicContact CZ-CB 4.19Å; F10-A14 VanDerWaalsContact O-CB 3.23Å; F10-A14 WeakPolarHBondContact O-CB 3.25Å; F10-A14 PolarHBondContact O-N 3.49Å; F10-M37 WeakPolarHBondContact CE2-O 3.35Å; F10-M37 HydrophobicContact CZ-CB 4.35Å; F10-M37 HydrophobicContact CZ-SD 4.12Å; F10-N40 HydrophobicContact CE2-CB 4.24Å; F10-Y41 HydrophobicContact CD2-CD2 4.14Å; F10-Y41 HydrophobicContact CE2-CD2 4.45Å; F10-L44 HydrophobicContact CB-CD2 4.18Å
11	M	75.2	Confident	65.9	Low	126 Å²	126	110.7 Å²	110.7	62%	0.621	60%	0.603	S	S	*	*	H	α-helix	trans	-68.6	-25.1	179	-65.2	-57.1	-176.5	0	0	112.7	T9 V13	T9-M11 PolarHBondContact O-N 3.23Å; T9-M11 PolarHBondContact OG1-N 2.97Å; M11-V13 VanDerWaalsContact C-N 3.27Å; M11-V13 PolarHBondContact O-N 3.15Å
12	D	73.6	Confident	68.5	Low	103 Å²	103	102.6 Å²	102.6	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-74.9	-19.5	178.5	-57.5	-54	0	0	0	112.7	L8 T9 F10	L8-D12 HydrophobicContact CD2-CB 4.09Å; T9-D12 WeakPolarHBondContact CA-OD2 3.4Å; T9-D12 WeakPolarHBondContact CB-OD2 3.28Å; T9-D12 PolarHBondContact N-OD2 3.4Å; T9-D12 WeakPolarHBondContact O-CB 3.49Å; T9-D12 PolarHBondContact O-N 3.21Å; T9-D12 VanDerWaalsContact O-N 3.08Å; T9-D12 PolarHBondContact OG1-OD2 3.4Å; F10-D12 VanDerWaalsContact C-N 3.25Å; F10-D12 PolarHBondContact O-N 2.98Å
13	V	76.9	Confident	70.6	Confident	58 Å²	58	103.9 Å²	103.9	35%	0.352	55%	0.547	S	S	.	.	H	α-helix	trans	-117.5	-1	179.5	-82.6	0	0	0	0	113.3	L8 F10 M11 N40 L44	L8-V13 HydrophobicContact CD2-CG1 4.2Å; F10-V13 PolarHBondContact O-N 3.42Å; M11-V13 VanDerWaalsContact C-N 3.27Å; M11-V13 PolarHBondContact O-N 3.15Å; V13-N40 PolarHBondContact O-ND2 2.78Å; V13-L44 HydrophobicContact CG2-CD1 3.9Å
14	A	78.3	Confident	72.7	Confident	21 Å²	21	104 Å²	104	17%	0.174	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-84.3	126.3	174.8	0	0	0	0	0	109.8	F10 M37	F10-A14 HydrophobicContact CD1-CB 4.14Å; F10-A14 HydrophobicContact CE1-CB 3.83Å; F10-A14 HydrophobicContact CZ-CB 4.19Å; F10-A14 VanDerWaalsContact O-CB 3.23Å; F10-A14 WeakPolarHBondContact O-CB 3.25Å; F10-A14 PolarHBondContact O-N 3.49Å; A14-M37 HydrophobicContact CB-SD 4.13Å
15	L	79.3	Confident	74.7	Confident	121 Å²	121	99.4 Å²	99.4	63%	0.634	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-82.9	116.9	165.5	-69.2	166.4	0	0	0	107	Y33 M37	L15-Y33 WeakPolarHBondContact O-CE2 3.42Å; L15-Y33 PolarHBondContact O-OH 3.36Å; L15-M37 HydrophobicContact CB-CE 3.64Å; L15-M37 HydrophobicContact CG-CE 4.38Å; L15-M37 VanDerWaalsContact N-CE 3.25Å; L15-M37 WeakPolarHBondContact O-CE 3.32Å
16	E	79.8	Confident	76.3	Confident	147 Å²	147	94.9 Å²	94.9	69%	0.687	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-96.7	130.5	174.7	-67.4	-165.4	155.5	0	0	110.2
17	F	77.3	Confident	77.7	Confident	83 Å²	83	94 Å²	94	36%	0.364	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-93.3	138.1	168.8	-75.9	-69.7	0	0	0	109.7	E21 W22 L25 Y33	F17-E21 HydrophobicContact CB-CB 4.21Å; F17-E21 HydrophobicContact CD1-CB 3.76Å; F17-E21 HydrophobicContact CG-CB 4.44Å; F17-W22 HydrophobicContact CB-CB 4.32Å; F17-W22 HydrophobicContact CB-CE3 4.22Å; F17-W22 AromaticContact CD2-CE3 3.91Å; F17-W22 HydrophobicContact CD2-CE3 3.91Å; F17-W22 HydrophobicContact CD2-CZ3 4.13Å; F17-W22 HydrophobicContact CG-CE3 4.35Å; F17-L25 HydrophobicContact CD1-CD1 4.41Å; F17-L25 HydrophobicContact CD2-CD1 3.84Å; F17-L25 HydrophobicContact CE1-CD1 4.27Å; F17-L25 HydrophobicContact CE1-CD2 4.47Å; F17-L25 HydrophobicContact CE2-CD1 3.66Å; F17-L25 HydrophobicContact CG-CD1 4.2Å; F17-L25 HydrophobicContact CZ-CD1 3.9Å; F17-L25 HydrophobicContact CZ-CD2 4.34Å; F17-Y33 AromaticContact CD2-CD2 3.72Å; F17-Y33 HydrophobicContact CD2-CD2 3.72Å; F17-Y33 AromaticContact CD2-CE2 3.54Å; F17-Y33 HydrophobicContact CD2-CE2 3.54Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.41Å; F17-Y33 HydrophobicContact CE2-CD2 3.41Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.41Å; F17-Y33 AromaticContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CG 4.21Å
18	S	80.7	Confident	78.3	Confident	42 Å²	42	92.6 Å²	92.6	29%	0.294	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-60.1	162.2	163.3	101.2	0	0	0	0	109.9	E20 E21 W22	S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 WeakPolarHBondContact CB-OE2 3Å; S18-E20 PolarHBondContact O-N 3.16Å; S18-E20 PolarHBondContact OG-N 2.98Å; S18-E20 PolarHBondContact OG-OE2 3.42Å; S18-E21 PolarHBondContact N-OE2 3.41Å; S18-E21 PolarHBondContact O-N 3.05Å; S18-E21 WeakPolarHBondContact OG-CG 3.35Å; S18-E21 PolarHBondContact OG-N 3.35Å; S18-E21 VanDerWaalsContact OG-N 3.16Å; S18-W22 WeakPolarHBondContact O-CB 3.15Å; S18-W22 PolarHBondContact O-N 2.88Å
19	K	79.4	Confident	79	Confident	153 Å²	153	91.3 Å²	91.3	67%	0.665	48%	0.482	S	S	*	.	H	α-helix	trans	-61.9	-38.4	177	-171.3	-176.2	172.3	-165.1	0	111.4	W22 E23	K19-W22 PolarHBondContact O-N 3.05Å; K19-E23 WeakPolarHBondContact CE-OE1 3.45Å; K19-E23 WeakPolarHBondContact O-CG 3.25Å; K19-E23 PolarHBondContact O-N 3.3Å; K19-E23 VanDerWaalsContact O-N 3.16Å
20	E	76.9	Confident	79.5	Confident	134 Å²	134	90.4 Å²	90.4	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-64.9	-44.3	176.8	-57.9	79.6	-159.5	0	0	111.1	S18 W22 E23 C24	S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 WeakPolarHBondContact CB-OE2 3Å; S18-E20 PolarHBondContact O-N 3.16Å; S18-E20 PolarHBondContact OG-N 2.98Å; S18-E20 PolarHBondContact OG-OE2 3.42Å; E20-W22 PolarHBondContact O-N 2.91Å; E20-E23 PolarHBondContact O-N 3.05Å; E20-C24 PolarHBondContact O-N 3.48Å; E20-C24 PolarHBondContact O-SG 3.21Å
21	E	74.7	Confident	79.7	Confident	101 Å²	101	89.6 Å²	89.6	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-41.4	178.1	-64.7	173.1	147.5	0	0	111.7	F17 S18 E23 C24 L25	F17-E21 HydrophobicContact CB-CB 4.21Å; F17-E21 HydrophobicContact CD1-CB 3.76Å; F17-E21 HydrophobicContact CG-CB 4.44Å; S18-E21 PolarHBondContact N-OE2 3.41Å; S18-E21 PolarHBondContact O-N 3.05Å; S18-E21 WeakPolarHBondContact OG-CG 3.35Å; S18-E21 PolarHBondContact OG-N 3.35Å; S18-E21 VanDerWaalsContact OG-N 3.16Å; E21-E23 VanDerWaalsContact C-N 3.27Å; E21-E23 PolarHBondContact O-N 3.1Å; E21-C24 WeakPolarHBondContact O-CB 3.39Å; E21-C24 PolarHBondContact O-N 3.44Å; E21-C24 VanDerWaalsContact O-N 3.14Å; E21-L25 PolarHBondContact O-N 3.43Å
22	W	88.6	Confident	80.1	Confident	76 Å²	76	89 Å²	89	29%	0.288	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-34.6	177.1	-173.2	-102.1	0	0	0	112.4	F17 S18 K19 E20 C24 L25 K30 Y33	F17-W22 HydrophobicContact CB-CB 4.32Å; F17-W22 HydrophobicContact CB-CE3 4.22Å; F17-W22 AromaticContact CD2-CE3 3.91Å; F17-W22 HydrophobicContact CD2-CE3 3.91Å; F17-W22 HydrophobicContact CD2-CZ3 4.13Å; F17-W22 HydrophobicContact CG-CE3 4.35Å; S18-W22 WeakPolarHBondContact O-CB 3.15Å; S18-W22 PolarHBondContact O-N 2.88Å; K19-W22 PolarHBondContact O-N 3.05Å; E20-W22 PolarHBondContact O-N 2.91Å; W22-C24 VanDerWaalsContact C-N 3.34Å; W22-L25 HydrophobicContact CD2-CD1 4.46Å; W22-L25 HydrophobicContact CE3-CD1 3.72Å; W22-L25 HydrophobicContact CZ3-CD1 4.01Å; W22-L25 PolarHBondContact O-N 3.15Å; W22-K30 HydrophobicContact CD2-CG 4.49Å; W22-K30 HydrophobicContact CH2-CB 4.14Å; W22-K30 HydrophobicContact CH2-CG 3.91Å; W22-K30 HydrophobicContact CZ2-CB 4.16Å; W22-K30 HydrophobicContact CZ2-CD 4.12Å; W22-K30 HydrophobicContact CZ2-CG 3.73Å; W22-K30 HydrophobicContact CZ3-CG 4.36Å; W22-K30 WeakPolarHBondContact O-CE 3.45Å; W22-K30 PolarHBondContact O-NZ 2.76Å; W22-Y33 AromaticContact CH2-CD1 3.45Å; W22-Y33 HydrophobicContact CH2-CD1 3.45Å; W22-Y33 VanDerWaalsContact CH2-CD1 3.45Å; W22-Y33 AromaticContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CG 4.13Å; W22-Y33 AromaticContact CZ3-CD1 3.28Å; W22-Y33 HydrophobicContact CZ3-CD1 3.28Å; W22-Y33 HydrophobicContact CZ3-CD2 4.33Å; W22-Y33 AromaticContact CZ3-CE1 3.6Å; W22-Y33 HydrophobicContact CZ3-CE1 3.6Å; W22-Y33 AromaticContact CZ3-CG 3.67Å; W22-Y33 HydrophobicContact CZ3-CG 3.67Å
23	E	87.2	Confident	80.6	Confident	132 Å²	132	86.7 Å²	86.7	62%	0.617	46%	0.46	S	S	*	.	H	α-helix	trans	-69.5	-32.1	176.7	-74.7	179.5	-172.1	0	0	112.2	K19 E20 E21 L25	K19-E23 WeakPolarHBondContact CE-OE1 3.45Å; K19-E23 WeakPolarHBondContact O-CG 3.25Å; K19-E23 PolarHBondContact O-N 3.3Å; K19-E23 VanDerWaalsContact O-N 3.16Å; E20-E23 PolarHBondContact O-N 3.05Å; E21-E23 VanDerWaalsContact C-N 3.27Å; E21-E23 PolarHBondContact O-N 3.1Å; E23-L25 VanDerWaalsContact C-N 3.29Å; E23-L25 PolarHBondContact O-N 3.44Å
24	C	82.3	Confident	81	Confident	111 Å²	111	91.7 Å²	91.7	75%	0.75	47%	0.473	S	S	*	.	H	α-helix	trans	-71	-18.1	175.3	-67.4	0	0	0	0	114.3	E20 E21 W22	E20-C24 PolarHBondContact O-N 3.48Å; E20-C24 PolarHBondContact O-SG 3.21Å; E21-C24 WeakPolarHBondContact O-CB 3.39Å; E21-C24 PolarHBondContact O-N 3.44Å; E21-C24 VanDerWaalsContact O-N 3.14Å; W22-C24 VanDerWaalsContact C-N 3.34Å
25	L	82.7	Confident	81.1	Confident	28 Å²	28	95.7 Å²	95.7	15%	0.147	49%	0.491	C	S	.	.	S	Bend	trans	-75.5	134.4	179.6	-61.5	176.1	0	0	0	112.3	F17 E21 W22 E23 Q29 K30	F17-L25 HydrophobicContact CD1-CD1 4.41Å; F17-L25 HydrophobicContact CD2-CD1 3.84Å; F17-L25 HydrophobicContact CE1-CD1 4.27Å; F17-L25 HydrophobicContact CE1-CD2 4.47Å; F17-L25 HydrophobicContact CE2-CD1 3.66Å; F17-L25 HydrophobicContact CG-CD1 4.2Å; F17-L25 HydrophobicContact CZ-CD1 3.9Å; F17-L25 HydrophobicContact CZ-CD2 4.34Å; E21-L25 PolarHBondContact O-N 3.43Å; W22-L25 HydrophobicContact CD2-CD1 4.46Å; W22-L25 HydrophobicContact CE3-CD1 3.72Å; W22-L25 HydrophobicContact CZ3-CD1 4.01Å; W22-L25 PolarHBondContact O-N 3.15Å; E23-L25 VanDerWaalsContact C-N 3.29Å; E23-L25 PolarHBondContact O-N 3.44Å; L25-Q29 VanDerWaalsContact CA-OE1 3.31Å; L25-Q29 HydrophobicContact CB-CB 4.11Å; L25-Q29 HydrophobicContact CD2-CB 4.06Å; L25-K30 HydrophobicContact CB-CD 4.45Å; L25-K30 HydrophobicContact CB-CG 3.82Å; L25-K30 HydrophobicContact CD1-CG 4.43Å; L25-K30 WeakPolarHBondContact O-CE 3.48Å; L25-K30 PolarHBondContact O-NZ 2.9Å
26	D	80.2	Confident	81.1	Confident	85 Å²	85	92.4 Å²	92.4	46%	0.455	48%	0.476	S	S	.	.			trans	-73	173.9	170.7	73.6	44.2	0	0	0	112.3	A28 Q29 K30	D26-A28 VanDerWaalsContact C-N 3.29Å; D26-A28 PolarHBondContact O-N 3.27Å; D26-A28 WeakPolarHBondContact OD1-CA 3.31Å; D26-A28 WeakPolarHBondContact OD1-CB 3.37Å; D26-A28 PolarHBondContact OD1-N 3.38Å; D26-Q29 PolarHBondContact O-N 3.07Å; D26-Q29 PolarHBondContact OD1-N 3.27Å; D26-K30 WeakPolarHBondContact O-CB 3.46Å; D26-K30 WeakPolarHBondContact O-CG 3.23Å; D26-K30 PolarHBondContact O-N 3.49Å
27	S	79.6	Confident	81.3	Confident	108 Å²	108	86.3 Å²	86.3	76%	0.755	45%	0.448	S	S	*	.	H	α-helix	trans	-65.7	-29.7	-177.4	-65.8	0	0	0	0	113.6	A31	S27-A31 WeakPolarHBondContact O-CB 3.36Å; S27-A31 PolarHBondContact O-N 3.14Å; S27-A31 VanDerWaalsContact O-N 3.16Å
28	A	76	Confident	81.3	Confident	71 Å²	71	87.2 Å²	87.2	59%	0.587	46%	0.456	S	S	*	.	H	α-helix	trans	-75.1	-42.7	178.4	0	0	0	0	0	110.6	D26 A31 L32	D26-A28 VanDerWaalsContact C-N 3.29Å; D26-A28 PolarHBondContact O-N 3.27Å; D26-A28 WeakPolarHBondContact OD1-CA 3.31Å; D26-A28 WeakPolarHBondContact OD1-CB 3.37Å; D26-A28 PolarHBondContact OD1-N 3.38Å; A28-A31 PolarHBondContact O-N 3.06Å; A28-L32 PolarHBondContact O-N 3.49Å
29	Q	78.5	Confident	81.1	Confident	91 Å²	91	91.2 Å²	91.2	43%	0.425	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-43	174.7	-67.5	172.3	-35.6	0	0	111.8	L25 D26 A31 L32 Y33	L25-Q29 VanDerWaalsContact CA-OE1 3.31Å; L25-Q29 HydrophobicContact CB-CB 4.11Å; L25-Q29 HydrophobicContact CD2-CB 4.06Å; D26-Q29 PolarHBondContact O-N 3.07Å; D26-Q29 PolarHBondContact OD1-N 3.27Å; Q29-A31 VanDerWaalsContact C-N 3.31Å; Q29-A31 PolarHBondContact O-N 3.4Å; Q29-L32 PolarHBondContact O-N 3.47Å; Q29-Y33 WeakPolarHBondContact O-CB 3.41Å; Q29-Y33 PolarHBondContact O-N 3.49Å
30	K	87.9	Confident	80.9	Confident	45 Å²	45	86 Å²	86	20%	0.196	45%	0.449	C	S	.	.	H	α-helix	trans	-63.5	-34.2	174.6	-75.6	172.5	165.7	129.2	0	113.2	W22 L25 D26 R34	W22-K30 HydrophobicContact CD2-CG 4.49Å; W22-K30 HydrophobicContact CH2-CB 4.14Å; W22-K30 HydrophobicContact CH2-CG 3.91Å; W22-K30 HydrophobicContact CZ2-CB 4.16Å; W22-K30 HydrophobicContact CZ2-CD 4.12Å; W22-K30 HydrophobicContact CZ2-CG 3.73Å; W22-K30 HydrophobicContact CZ3-CG 4.36Å; W22-K30 WeakPolarHBondContact O-CE 3.45Å; W22-K30 PolarHBondContact O-NZ 2.76Å; L25-K30 HydrophobicContact CB-CD 4.45Å; L25-K30 HydrophobicContact CB-CG 3.82Å; L25-K30 HydrophobicContact CD1-CG 4.43Å; L25-K30 WeakPolarHBondContact O-CE 3.48Å; L25-K30 PolarHBondContact O-NZ 2.9Å; D26-K30 WeakPolarHBondContact O-CB 3.46Å; D26-K30 WeakPolarHBondContact O-CG 3.23Å; D26-K30 PolarHBondContact O-N 3.49Å; K30-R34 WeakPolarHBondContact O-CG 3.48Å; K30-R34 PolarHBondContact O-N 3.5Å
31	A	78.8	Confident	80.8	Confident	45 Å²	45	85.5 Å²	85.5	37%	0.372	44%	0.443	S	S	.	.	H	α-helix	trans	-69.7	-47.4	174.8	0	0	0	0	0	110.7	S27 A28 Q29 Y33 R34 D35	S27-A31 WeakPolarHBondContact O-CB 3.36Å; S27-A31 PolarHBondContact O-N 3.14Å; S27-A31 VanDerWaalsContact O-N 3.16Å; A28-A31 PolarHBondContact O-N 3.06Å; Q29-A31 VanDerWaalsContact C-N 3.31Å; Q29-A31 PolarHBondContact O-N 3.4Å; A31-Y33 VanDerWaalsContact C-N 3.33Å; A31-Y33 PolarHBondContact O-N 2.93Å; A31-R34 WeakPolarHBondContact O-CB 2.88Å; A31-R34 PolarHBondContact O-N 3.47Å; A31-R34 VanDerWaalsContact O-N 3.11Å; A31-D35 PolarHBondContact O-N 3.33Å
32	L	82.9	Confident	80.8	Confident	113 Å²	113	84.7 Å²	84.7	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-58.4	-44.3	177	-175.8	65.8	0	0	0	111.9	A28 Q29 R34 D35 V36	A28-L32 PolarHBondContact O-N 3.49Å; Q29-L32 PolarHBondContact O-N 3.47Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 3.09Å; L32-D35 PolarHBondContact O-N 3.42Å; L32-D35 VanDerWaalsContact O-N 3.14Å; L32-V36 HydrophobicContact CG-CG2 4.5Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.81Å
33	Y	84.8	Confident	80.1	Confident	55 Å²	55	84.1 Å²	84.1	22%	0.216	45%	0.449	C	S	.	.	H	α-helix	trans	-55.3	-44.9	174.8	173.5	-96.3	0	0	0	112.5	L15 F17 W22 Q29 A31 D35 V36 M37	L15-Y33 WeakPolarHBondContact O-CE2 3.42Å; L15-Y33 PolarHBondContact O-OH 3.36Å; F17-Y33 AromaticContact CD2-CD2 3.72Å; F17-Y33 HydrophobicContact CD2-CD2 3.72Å; F17-Y33 AromaticContact CD2-CE2 3.54Å; F17-Y33 HydrophobicContact CD2-CE2 3.54Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.41Å; F17-Y33 HydrophobicContact CE2-CD2 3.41Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.41Å; F17-Y33 AromaticContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CG 4.21Å; W22-Y33 AromaticContact CH2-CD1 3.45Å; W22-Y33 HydrophobicContact CH2-CD1 3.45Å; W22-Y33 VanDerWaalsContact CH2-CD1 3.45Å; W22-Y33 AromaticContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CE1 3.92Å; W22-Y33 HydrophobicContact CH2-CG 4.13Å; W22-Y33 AromaticContact CZ3-CD1 3.28Å; W22-Y33 HydrophobicContact CZ3-CD1 3.28Å; W22-Y33 HydrophobicContact CZ3-CD2 4.33Å; W22-Y33 AromaticContact CZ3-CE1 3.6Å; W22-Y33 HydrophobicContact CZ3-CE1 3.6Å; W22-Y33 AromaticContact CZ3-CG 3.67Å; W22-Y33 HydrophobicContact CZ3-CG 3.67Å; Q29-Y33 WeakPolarHBondContact O-CB 3.41Å; Q29-Y33 PolarHBondContact O-N 3.49Å; A31-Y33 VanDerWaalsContact C-N 3.33Å; A31-Y33 PolarHBondContact O-N 2.93Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-D35 PolarHBondContact O-N 2.98Å; Y33-V36 PolarHBondContact O-N 3.22Å; Y33-M37 HydrophobicContact CD1-CG 4.21Å; Y33-M37 HydrophobicContact CD2-CE 3.94Å; Y33-M37 HydrophobicContact CD2-CG 4.29Å; Y33-M37 HydrophobicContact CE1-CG 3.82Å; Y33-M37 HydrophobicContact CE2-CE 3.48Å; Y33-M37 VanDerWaalsContact CE2-CE 3.48Å; Y33-M37 HydrophobicContact CE2-CG 3.95Å; Y33-M37 HydrophobicContact CE2-SD 4.37Å; Y33-M37 HydrophobicContact CG-CG 4.46Å; Y33-M37 WeakPolarHBondContact O-CB 3.36Å; Y33-M37 WeakPolarHBondContact O-CG 3.36Å; Y33-M37 PolarHBondContact O-N 2.79Å
34	R	85	Confident	79.2	Confident	163 Å²	163	79.2 Å²	79.2	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-65.7	-36.9	178.9	-71.2	171.4	-176.2	169.4	3.5	111.9	K30 A31 L32 L38	K30-R34 WeakPolarHBondContact O-CG 3.48Å; K30-R34 PolarHBondContact O-N 3.5Å; A31-R34 WeakPolarHBondContact O-CB 2.88Å; A31-R34 PolarHBondContact O-N 3.47Å; A31-R34 VanDerWaalsContact O-N 3.11Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 3.09Å; R34-L38 VanDerWaalsContact O-CB 3.31Å; R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 PolarHBondContact O-N 3.09Å
35	D	81.4	Confident	78.7	Confident	106 Å²	106	76 Å²	76	57%	0.567	40%	0.404	S	S	*	.	H	α-helix	trans	-67.7	-44.3	178.4	-69.3	-17	0	0	0	110.6	A31 L32 Y33 L38 E39	A31-D35 PolarHBondContact O-N 3.33Å; L32-D35 PolarHBondContact O-N 3.42Å; L32-D35 VanDerWaalsContact O-N 3.14Å; Y33-D35 VanDerWaalsContact C-N 3.31Å; Y33-D35 PolarHBondContact O-N 2.98Å; D35-L38 PolarHBondContact O-N 3.3Å; D35-E39 PolarHBondContact O-N 3.47Å
36	V	78.5	Confident	77.7	Confident	51 Å²	51	78 Å²	78	31%	0.309	42%	0.421	S	S	.	.	H	α-helix	trans	-64.8	-44.6	176.3	177	0	0	0	0	111.7	L32 Y33 L38 E39 N40	L32-V36 HydrophobicContact CG-CG2 4.5Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.81Å; Y33-V36 PolarHBondContact O-N 3.22Å; V36-L38 VanDerWaalsContact C-N 3.28Å; V36-L38 PolarHBondContact O-N 3.33Å; V36-E39 WeakPolarHBondContact O-CB 3.33Å; V36-E39 PolarHBondContact O-N 3.36Å; V36-E39 VanDerWaalsContact O-N 3.16Å; V36-N40 PolarHBondContact O-N 3.2Å; V36-N40 PolarHBondContact O-OD1 2.84Å
37	M	83.3	Confident	76.9	Confident	20 Å²	20	78.6 Å²	78.6	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-63.7	-35.3	177.6	-70.8	-54.4	139.4	0	0	112.5	F10 A14 L15 Y33 Y41	F10-M37 WeakPolarHBondContact CE2-O 3.35Å; F10-M37 HydrophobicContact CZ-CB 4.35Å; F10-M37 HydrophobicContact CZ-SD 4.12Å; A14-M37 HydrophobicContact CB-SD 4.13Å; L15-M37 HydrophobicContact CB-CE 3.64Å; L15-M37 HydrophobicContact CG-CE 4.38Å; L15-M37 VanDerWaalsContact N-CE 3.25Å; L15-M37 WeakPolarHBondContact O-CE 3.32Å; Y33-M37 HydrophobicContact CD1-CG 4.21Å; Y33-M37 HydrophobicContact CD2-CE 3.94Å; Y33-M37 HydrophobicContact CD2-CG 4.29Å; Y33-M37 HydrophobicContact CE1-CG 3.82Å; Y33-M37 HydrophobicContact CE2-CE 3.48Å; Y33-M37 VanDerWaalsContact CE2-CE 3.48Å; Y33-M37 HydrophobicContact CE2-CG 3.95Å; Y33-M37 HydrophobicContact CE2-SD 4.37Å; Y33-M37 HydrophobicContact CG-CG 4.46Å; Y33-M37 WeakPolarHBondContact O-CB 3.36Å; Y33-M37 WeakPolarHBondContact O-CG 3.36Å; Y33-M37 PolarHBondContact O-N 2.79Å; M37-Y41 WeakPolarHBondContact O-CB 3.49Å; M37-Y41 PolarHBondContact O-N 3.3Å; M37-Y41 VanDerWaalsContact O-N 3.08Å
38	L	78.2	Confident	75.8	Confident	101 Å²	101	77.7 Å²	77.7	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-39.4	174.8	-176.2	63.2	0	0	0	111.4	R34 D35 V36 N42	R34-L38 VanDerWaalsContact O-CB 3.31Å; R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 PolarHBondContact O-N 3.09Å; D35-L38 PolarHBondContact O-N 3.3Å; V36-L38 VanDerWaalsContact C-N 3.28Å; V36-L38 PolarHBondContact O-N 3.33Å; L38-N42 PolarHBondContact O-N 2.81Å; L38-N42 VanDerWaalsContact O-N 3.08Å; L38-N42 PolarHBondContact O-ND2 3.42Å
39	E	77	Confident	74.6	Confident	127 Å²	127	82.4 Å²	82.4	59%	0.593	42%	0.416	S	S	*	.	H	α-helix	trans	-63.1	-50.3	174.8	-172.9	170.6	-174.9	0	0	111.5	D35 V36 Y41 N42 S43	D35-E39 PolarHBondContact O-N 3.47Å; V36-E39 WeakPolarHBondContact O-CB 3.33Å; V36-E39 PolarHBondContact O-N 3.36Å; V36-E39 VanDerWaalsContact O-N 3.16Å; E39-Y41 VanDerWaalsContact C-N 3.29Å; E39-Y41 PolarHBondContact O-N 3.07Å; E39-N42 PolarHBondContact O-N 2.7Å; E39-S43 PolarHBondContact O-N 2.77Å; E39-S43 PolarHBondContact O-OG 3.09Å
40	N	74.3	Confident	72.9	Confident	43 Å²	43	85.2 Å²	85.2	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-57.4	-41.2	177.3	-70.8	0.5	0	0	0	112	F10 V13 V36 S43 L44	F10-N40 HydrophobicContact CE2-CB 4.24Å; V13-N40 PolarHBondContact O-ND2 2.78Å; V36-N40 PolarHBondContact O-N 3.2Å; V36-N40 PolarHBondContact O-OD1 2.84Å; N40-S43 PolarHBondContact O-N 3.3Å; N40-L44 PolarHBondContact O-N 2.94Å
41	Y	75.5	Confident	70.8	Confident	124 Å²	124	85.9 Å²	85.9	49%	0.486	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-44.2	175.7	179.3	-98.8	0	0	0	112.2	F10 M37 E39 S43 L44 V45	F10-Y41 HydrophobicContact CD2-CD2 4.14Å; F10-Y41 HydrophobicContact CE2-CD2 4.45Å; M37-Y41 WeakPolarHBondContact O-CB 3.49Å; M37-Y41 PolarHBondContact O-N 3.3Å; M37-Y41 VanDerWaalsContact O-N 3.08Å; E39-Y41 VanDerWaalsContact C-N 3.29Å; E39-Y41 PolarHBondContact O-N 3.07Å; Y41-S43 VanDerWaalsContact C-N 3.33Å; Y41-S43 PolarHBondContact O-N 3.33Å; Y41-L44 PolarHBondContact O-N 2.81Å; Y41-V45 HydrophobicContact CD1-CG2 4.3Å; Y41-V45 HydrophobicContact CE1-CG2 3.86Å; Y41-V45 HydrophobicContact CE2-CG2 4.24Å; Y41-V45 WeakPolarHBondContact O-CG2 3.44Å; Y41-V45 PolarHBondContact O-N 3.49Å; Y41-V45 VanDerWaalsContact O-N 3.1Å
42	N	75	Confident	69	Low	83 Å²	83	90.6 Å²	90.6	44%	0.444	46%	0.457	S	S	.	.	H	α-helix	trans	-66.3	-36.2	179.2	-69.2	-39.3	0	0	0	112	L38 E39 S46	L38-N42 PolarHBondContact O-N 2.81Å; L38-N42 VanDerWaalsContact O-N 3.08Å; L38-N42 PolarHBondContact O-ND2 3.42Å; E39-N42 PolarHBondContact O-N 2.7Å; N42-S46 PolarHBondContact O-N 3.14Å; N42-S46 PolarHBondContact O-OG 3Å
43	S	72.2	Confident	67	Low	64 Å²	64	91.6 Å²	91.6	45%	0.448	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-46	173.7	-62.4	0	0	0	0	111.4	E39 N40 Y41 V45 S46 V47	E39-S43 PolarHBondContact O-N 2.77Å; E39-S43 PolarHBondContact O-OG 3.09Å; N40-S43 PolarHBondContact O-N 3.3Å; Y41-S43 VanDerWaalsContact C-N 3.33Å; Y41-S43 PolarHBondContact O-N 3.33Å; S43-V45 PolarHBondContact O-N 3.37Å; S43-S46 WeakPolarHBondContact O-CB 3.49Å; S43-S46 PolarHBondContact O-N 2.86Å; S43-V47 PolarHBondContact O-N 3.19Å; S43-V47 VanDerWaalsContact O-N 3.16Å
44	L	69.2	Low	64.6	Low	29 Å²	29	94.5 Å²	94.5	15%	0.152	49%	0.487	C	S	.	.	H	α-helix	trans	-60.6	-45.2	178.8	-153.8	99.8	0	0	0	112.3	F10 V13 N40 Y41 S46 V47 D48	F10-L44 HydrophobicContact CB-CD2 4.18Å; V13-L44 HydrophobicContact CG2-CD1 3.9Å; N40-L44 PolarHBondContact O-N 2.94Å; Y41-L44 PolarHBondContact O-N 2.81Å; L44-S46 PolarHBondContact O-N 2.9Å; L44-V47 PolarHBondContact O-N 3.06Å; L44-D48 PolarHBondContact O-N 3.43Å; L44-D48 VanDerWaalsContact O-N 3.11Å
45	V	70.8	Confident	62.1	Low	43 Å²	43	94.2 Å²	94.2	26%	0.261	50%	0.497	S	S	.	.	H	α-helix	trans	-62.9	-26.5	176.8	172.7	0	0	0	0	112.2	Y41 S43 R49	Y41-V45 HydrophobicContact CD1-CG2 4.3Å; Y41-V45 HydrophobicContact CE1-CG2 3.86Å; Y41-V45 HydrophobicContact CE2-CG2 4.24Å; Y41-V45 WeakPolarHBondContact O-CG2 3.44Å; Y41-V45 PolarHBondContact O-N 3.49Å; Y41-V45 VanDerWaalsContact O-N 3.1Å; S43-V45 PolarHBondContact O-N 3.37Å; V45-R49 WeakPolarHBondContact O-CG 3.46Å; V45-R49 PolarHBondContact O-N 3.3Å
46	S	62.7	Low	59.8	Low	72 Å²	72	93.9 Å²	93.9	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-75.7	-39.8	177.9	-56.5	0	0	0	0	111.3	N42 S43 L44 R49 E50	N42-S46 PolarHBondContact O-N 3.14Å; N42-S46 PolarHBondContact O-OG 3Å; S43-S46 WeakPolarHBondContact O-CB 3.49Å; S43-S46 PolarHBondContact O-N 2.86Å; L44-S46 PolarHBondContact O-N 2.9Å; S46-R49 PolarHBondContact O-N 3.26Å; S46-E50 PolarHBondContact O-N 3.16Å
47	V	64.2	Low	57.3	Low	96 Å²	96	100.2 Å²	100.2	58%	0.582	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-41.2	176.1	-178.9	0	0	0	0	111.4	S43 L44 R49 E50 A51	S43-V47 PolarHBondContact O-N 3.19Å; S43-V47 VanDerWaalsContact O-N 3.16Å; L44-V47 PolarHBondContact O-N 3.06Å; V47-R49 PolarHBondContact O-N 3.46Å; V47-E50 PolarHBondContact O-N 3.08Å; V47-A51 PolarHBondContact O-N 3.07Å
48	D	54.7	Low	54.5	Low	89 Å²	89	110.2 Å²	110.2	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-63.1	-29.1	177.1	-82.4	-20.9	0	0	0	113.2	L44 Q52	L44-D48 PolarHBondContact O-N 3.43Å; L44-D48 VanDerWaalsContact O-N 3.11Å; D48-Q52 PolarHBondContact O-N 3.14Å
49	R	51.9	Low	52	Low	170 Å²	170	111.6 Å²	111.6	64%	0.642	58%	0.578	S	S	*	*	H	α-helix	trans	-74.1	-35.9	177.5	-78.1	-178.7	-172.8	-170.8	3.8	112.7	V45 S46 V47 A51 Q52 D53	V45-R49 WeakPolarHBondContact O-CG 3.46Å; V45-R49 PolarHBondContact O-N 3.3Å; S46-R49 PolarHBondContact O-N 3.26Å; V47-R49 PolarHBondContact O-N 3.46Å; R49-A51 VanDerWaalsContact C-N 3.26Å; R49-A51 PolarHBondContact O-N 3.05Å; R49-Q52 PolarHBondContact O-N 3.23Å; R49-D53 PolarHBondContact O-N 3.11Å
50	E	41.9	Very low	49.6	Very low	151 Å²	151	115.6 Å²	115.6	71%	0.706	59%	0.594	S	S	*	*	H	α-helix	trans	-66.5	-31.3	175.1	-69.6	-172.5	158.6	0	0	111.7	S46 V47	S46-E50 PolarHBondContact O-N 3.16Å; V47-E50 PolarHBondContact O-N 3.08Å
51	A	44.8	Very low	47.3	Very low	59 Å²	59	119 Å²	119	49%	0.488	62%	0.621	S	S	.	*	H	α-helix	trans	-70.5	-30.5	173.8	0	0	0	0	0	113.4	V47 R49 T54	V47-A51 PolarHBondContact O-N 3.07Å; R49-A51 VanDerWaalsContact C-N 3.26Å; R49-A51 PolarHBondContact O-N 3.05Å; A51-T54 PolarHBondContact O-OG1 3.23Å
52	Q	41.5	Very low	45.8	Very low	143 Å²	143	118.3 Å²	118.3	67%	0.668	63%	0.632	S	S	*	*	H	α-helix	trans	-80.2	-28.2	-179.6	-73.4	-173	-9.6	0	0	113.8	D48 R49 T54 L55	D48-Q52 PolarHBondContact O-N 3.14Å; R49-Q52 PolarHBondContact O-N 3.23Å; Q52-T54 PolarHBondContact O-N 2.89Å; Q52-L55 PolarHBondContact O-N 2.83Å
53	D	39.4	Very low	43.6	Very low	134 Å²	134	122 Å²	122	72%	0.717	65%	0.652	S	S	*	*	H	α-helix	trans	-71.1	-15.3	179.1	-83.5	-16.2	0	0	0	113	R49	R49-D53 PolarHBondContact O-N 3.11Å
54	T	35.7	Very low	41.8	Very low	116 Å²	116	123.9 Å²	123.9	71%	0.712	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-11.1	177.4	49.6	0	0	0	0	114.8	A51 Q52	A51-T54 PolarHBondContact O-OG1 3.23Å; Q52-T54 PolarHBondContact O-N 2.89Å
55	L	32.4	Very low	39.9	Very low	158 Å²	158	132.5 Å²	132.5	83%	0.827	70%	0.698	S	S	*	*	S	Bend	trans	-106.9	1.6	-169.7	-120.9	119.7	0	0	0	116.2	Q52	Q52-L55 PolarHBondContact O-N 2.83Å
56	S	31.9	Very low	37.8	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	72%	0.722	S	S	*	*			trans	-113.5	10.1	-172.5	69.7	0	0	0	0	116.9	R58	S56-R58 PolarHBondContact O-N 3.28Å
57	E	25.6	Very low	36.1	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	74%	0.738	S	S	*	*			trans	-94.6	62.8	171	-70.6	-169.4	165.3	0	0	112.7
58	R	25.6	Very low	34.2	Very low	230 Å²	230	146.3 Å²	146.3	87%	0.868	75%	0.747	S	S	*	*			trans	-143.6	122.4	161.3	-76.3	-166	177.1	-176.8	-1.3	112.4	S56	S56-R58 PolarHBondContact O-N 3.28Å
59	T	25	Very low	33	Very low	130 Å²	130	154 Å²	154	80%	0.798	77%	0.769	S	S	*	*			trans	86.9	99.2	161	72.3	0	0	0	0	119.3
60	K	28.2	Very low	32	Very low	211 Å²	211	152.7 Å²	152.7	92%	0.917	77%	0.774	S	S	*	*				-175.2	146.2	101.1	-94.6	176	-176	-179.8	0	112.2
61	S	25.8	Very low	31.6	Very low	113 Å²	113	150.2 Å²	150.2	79%	0.79	77%	0.773	S	S	*	*			trans	-108.4	-163.7	-169.4	-154	0	0	0	0	110.7
62	P	43	Very low	31.2	Very low	111 Å²	111	153 Å²	153	72%	0.721	79%	0.785	S	S	*	*				-125.7	177.5	-114.9	37.2	-16.1	0	0	0	114.6
63	N	29	Very low	31.1	Very low	161 Å²	161	157.1 Å²	157.1	86%	0.861	79%	0.794	S	S	*	*			trans	-158.8	149.6	138.3	-135.6	12.3	0	0	0	112.7
64	P	34.4	Very low	31.5	Very low	103 Å²	103	154.6 Å²	154.6	67%	0.669	78%	0.783	S	S	*	*			trans	-109.9	151.2	-167.8	39.1	-29.2	0	0	0	113.8
65	K	29	Very low	32.6	Very low	210 Å²	210	153.3 Å²	153.3	91%	0.913	78%	0.775	S	S	*	*			trans	-148.3	129.6	136.3	-75.7	-162.3	177.8	173	0	109.7
66	T	27.7	Very low	34.3	Very low	123 Å²	123	151.9 Å²	151.9	76%	0.755	76%	0.763	S	S	*	*			trans	-54.4	141.6	178.7	40.9	0	0	0	0	115.3
67	Q	25.9	Very low	36.2	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	75%	0.746	S	S	*	*				168.5	123.6	85.7	-122.6	162.6	6.9	0	0	112.1
68	Y	24.3	Very low	38.5	Very low	198 Å²	198	149.1 Å²	149.1	78%	0.776	73%	0.733	S	S	*	*			trans	48.2	110.2	143.5	-116.9	-105.1	0	0	0	121.8
69	R	30.1	Very low	40.5	Very low	249 Å²	249	138.2 Å²	138.2	94%	0.94	69%	0.693	S	S	*	*				-166.2	133.1	116.4	-102.6	169.3	-173.1	179.5	3	111.2	S71	R69-S71 PolarHBondContact O-N 3.15Å
70	I	31.2	Very low	42.7	Very low	143 Å²	143	139.3 Å²	139.3	73%	0.733	69%	0.692	S	S	*	*			trans	-46.4	118.8	-167.1	-64.3	160	0	0	0	113.8	T72	I70-T72 PolarHBondContact O-N 3.49Å
71	S	32.6	Very low	44.1	Very low	99 Å²	99	136 Å²	136	69%	0.692	68%	0.68	S	S	*	*			trans	-59.7	106.3	162.7	158.9	0	0	0	0	110.2	R69 R73	R69-S71 PolarHBondContact O-N 3.15Å; S71-R73 PolarHBondContact O-N 3.39Å
72	T	37.2	Very low	46.2	Very low	119 Å²	119	133 Å²	133	73%	0.73	66%	0.658	S	S	*	*			trans	-65.7	113.5	150.6	42.4	0	0	0	0	107	I70 V74	I70-T72 PolarHBondContact O-N 3.49Å; T72-V74 VanDerWaalsContact C-N 3.32Å; T72-V74 PolarHBondContact O-N 3.15Å
73	R	39.8	Very low	47.5	Very low	229 Å²	229	129.5 Å²	129.5	86%	0.864	64%	0.642	S	S	*	*			trans	-54.7	96.1	171.6	-89.3	178.6	170.8	167.6	-3.4	108.5	S71 T75	S71-R73 PolarHBondContact O-N 3.39Å; R73-T75 VanDerWaalsContact C-N 3.35Å; R73-T75 PolarHBondContact O-N 3.45Å
74	V	48.3	Very low	49.4	Very low	81 Å²	81	128 Å²	128	49%	0.491	63%	0.628	S	S	.	*			trans	-72.7	97.8	166	-179.5	0	0	0	0	105.8	T72 F76	T72-V74 VanDerWaalsContact C-N 3.32Å; T72-V74 PolarHBondContact O-N 3.15Å; V74-F76 HydrophobicContact CB-CE2 4.2Å; V74-F76 HydrophobicContact CB-CZ 4.44Å; V74-F76 HydrophobicContact CG1-CE1 4.39Å; V74-F76 HydrophobicContact CG1-CE2 4.14Å; V74-F76 HydrophobicContact CG1-CZ 4.05Å; V74-F76 WeakPolarHBondContact O-CD2 3.43Å; V74-F76 WeakPolarHBondContact O-CE2 3.43Å; V74-F76 PolarHBondContact O-N 3.25Å; V74-F76 VanDerWaalsContact O-N 3.16Å
75	T	57.3	Low	50.8	Low	88 Å²	88	126.3 Å²	126.3	54%	0.54	62%	0.619	S	S	.	*			trans	-65.3	111.9	173.2	45.2	0	0	0	0	108.9	R73	R73-T75 VanDerWaalsContact C-N 3.35Å; R73-T75 PolarHBondContact O-N 3.45Å
76	F	69.7	Low	52.9	Low	129 Å²	129	118.5 Å²	118.5	57%	0.566	59%	0.585	S	S	*	*			trans	-85.6	130.1	172.3	-66	-89.1	0	0	0	109.8	V74 F86 T87	V74-F76 HydrophobicContact CB-CE2 4.2Å; V74-F76 HydrophobicContact CB-CZ 4.44Å; V74-F76 HydrophobicContact CG1-CE1 4.39Å; V74-F76 HydrophobicContact CG1-CE2 4.14Å; V74-F76 HydrophobicContact CG1-CZ 4.05Å; V74-F76 WeakPolarHBondContact O-CD2 3.43Å; V74-F76 WeakPolarHBondContact O-CE2 3.43Å; V74-F76 PolarHBondContact O-N 3.25Å; V74-F76 VanDerWaalsContact O-N 3.16Å; F76-F86 CarbonylContact C-O 3.55Å; F76-F86 WeakPolarHBondContact CA-O 3.32Å; F76-T87 HydrophobicContact CD1-CG2 3.91Å; F76-T87 HydrophobicContact CE1-CG2 3.48Å; F76-T87 VanDerWaalsContact CE1-CG2 3.48Å; F76-T87 HydrophobicContact CZ-CG2 4.44Å
77	Y	70.2	Confident	55.3	Low	86 Å²	86	116.9 Å²	116.9	34%	0.337	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.2	110	177.4	-60.3	-82.1	0	0	0	109	F86 L89	Y77-F86 PolarHBondContact N-O 3.34Å; Y77-F86 PolarHBondContact O-N 3.11Å; Y77-L89 HydrophobicContact CD1-CB 4.12Å; Y77-L89 HydrophobicContact CD1-CD1 3.61Å; Y77-L89 HydrophobicContact CD1-CG 4.39Å; Y77-L89 HydrophobicContact CD2-CB 4.02Å; Y77-L89 VanDerWaalsContact CD2-N 3.25Å; Y77-L89 HydrophobicContact CE1-CB 3.95Å; Y77-L89 HydrophobicContact CE1-CD1 3.92Å; Y77-L89 HydrophobicContact CE1-CD2 4.48Å; Y77-L89 HydrophobicContact CE1-CG 4.32Å; Y77-L89 HydrophobicContact CE2-CB 3.84Å; Y77-L89 HydrophobicContact CG-CB 4.15Å; Y77-L89 HydrophobicContact CG-CD1 4.08Å
78	K	73.8	Confident	57.6	Low	138 Å²	138	114.6 Å²	114.6	60%	0.6	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.8	137	-177	-165.5	176.1	179.7	-174.4	0	111	G83 K84	K78-G83 WeakPolarHBondContact CE-O 3.42Å; K78-G83 WeakPolarHBondContact CG-O 3.4Å; K78-K84 CarbonylContact C-O 3.44Å; K78-K84 WeakPolarHBondContact CA-O 3.21Å
79	C	68.4	Low	60.1	Low	2 Å²	2	108.6 Å²	108.6	1%	0.014	54%	0.543	C	S	.	.			trans	-80.4	125.3	173.1	-166.3	0	0	0	0	110.6	C82 G83 K84 L92 H95	C79-C82 PolarHBondContact SG-SG 3.37Å; C79-G83 VanDerWaalsContact O-CA 3.23Å; C79-G83 WeakPolarHBondContact O-CA 3.41Å; C79-G83 PolarHBondContact O-N 2.89Å; C79-K84 PolarHBondContact N-O 3.32Å; C79-L92 HydrophobicContact CB-CD1 3.59Å; C79-H95 WeakPolarHBondContact CB-CD2 3.49Å; C79-H95 VanDerWaalsContact CB-NE2 3.29Å; C79-H95 WeakPolarHBondContact CB-NE2 3.36Å; C79-H95 PolarHBondContact SG-CD2 3.4Å
80	I	70.4	Confident	62.1	Low	152 Å²	152	100.3 Å²	100.3	78%	0.779	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-44.4	-178.7	-61.2	168.2	0	0	0	110.3	C82	I80-C82 PolarHBondContact O-N 2.85Å
81	E	57.9	Low	64.1	Low	141 Å²	141	95.9 Å²	95.9	66%	0.659	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22	-174.8	-61.6	-58.6	143.5	0	0	115.6	C99	E81-C99 HydrophobicContact CB-CB 3.73Å; E81-C99 HydrophobicContact CG-CB 4.46Å
82	C	70.5	Confident	66	Low	51 Å²	51	91.6 Å²	91.6	35%	0.345	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152	10.2	-169.6	52.7	0	0	0	0	114.3	C79 I80 K84 H95 C99	C79-C82 PolarHBondContact SG-SG 3.37Å; I80-C82 PolarHBondContact O-N 2.85Å; C82-K84 PolarHBondContact O-N 3.44Å; C82-H95 PolarHBondContact SG-CE1 3.33Å; C82-H95 PolarHBondContact SG-NE2 3.43Å; C82-C99 HydrophobicContact CB-CB 4.19Å; C82-C99 WeakPolarHBondContact CB-SG 3.29Å; C82-C99 WeakPolarHBondContact SG-CB 3.4Å; C82-C99 CovalentContact SG-SG 2.06Å; C82-C99 PolarHBondContact SG-SG 3.03Å
83	G	69.3	Low	67.6	Low	37 Å²	37	91.4 Å²	91.4	38%	0.381	46%	0.463	S	S	.	.			trans	70.9	-5.1	167.5	0	0	0	0	0	117.3	K78 C79	K78-G83 WeakPolarHBondContact CE-O 3.42Å; K78-G83 WeakPolarHBondContact CG-O 3.4Å; C79-G83 VanDerWaalsContact O-CA 3.23Å; C79-G83 WeakPolarHBondContact O-CA 3.41Å; C79-G83 PolarHBondContact O-N 2.89Å
84	K	69.2	Low	68.8	Low	131 Å²	131	84.1 Å²	84.1	57%	0.57	44%	0.444	S	S	*	.			trans	-71.8	138.4	-177.4	-64.9	-176.9	-173.9	170.5	0	111.5	K78 C79 C82 F86	K78-K84 CarbonylContact C-O 3.44Å; K78-K84 WeakPolarHBondContact CA-O 3.21Å; C79-K84 PolarHBondContact N-O 3.32Å; C82-K84 PolarHBondContact O-N 3.44Å; K84-F86 HydrophobicContact CB-CE2 3.66Å; K84-F86 HydrophobicContact CB-CZ 3.86Å; K84-F86 VanDerWaalsContact O-CE2 3.31Å; K84-F86 WeakPolarHBondContact O-CE2 3.36Å
85	S	65	Low	69.6	Low	67 Å²	67	80.9 Å²	80.9	47%	0.469	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.4	-177.8	-63.5	0	0	0	0	111.6
86	F	72	Confident	70	Confident	46 Å²	46	80 Å²	80	20%	0.202	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.4	-175.3	-61.6	-90.9	0	0	0	110.8	F76 Y77 K84 K88 L92 H95	F76-F86 CarbonylContact C-O 3.55Å; F76-F86 WeakPolarHBondContact CA-O 3.32Å; Y77-F86 PolarHBondContact N-O 3.34Å; Y77-F86 PolarHBondContact O-N 3.11Å; K84-F86 HydrophobicContact CB-CE2 3.66Å; K84-F86 HydrophobicContact CB-CZ 3.86Å; K84-F86 VanDerWaalsContact O-CE2 3.31Å; K84-F86 WeakPolarHBondContact O-CE2 3.36Å; F86-K88 VanDerWaalsContact C-N 3.27Å; F86-K88 PolarHBondContact O-N 2.69Å; F86-L92 HydrophobicContact CB-CB 4.23Å; F86-L92 HydrophobicContact CD2-CB 4.09Å; F86-L92 HydrophobicContact CD2-CD1 3.77Å; F86-L92 HydrophobicContact CE2-CD1 4.15Å; F86-L92 HydrophobicContact CG-CB 4.34Å; F86-H95 HydrophobicContact CD2-CB 4.49Å; F86-H95 HydrophobicContact CE1-CB 3.88Å; F86-H95 HydrophobicContact CE2-CB 3.75Å; F86-H95 AromaticContact CE2-CD2 3.03Å; F86-H95 WeakPolarHBondContact CE2-CD2 3.35Å; F86-H95 AromaticContact CE2-CG 3.37Å; F86-H95 AromaticContact CE2-NE2 3.55Å; F86-H95 HydrophobicContact CZ-CB 3.4Å; F86-H95 VanDerWaalsContact CZ-CB 3.4Å; F86-H95 AromaticContact CZ-CD2 3.3Å; F86-H95 WeakPolarHBondContact CZ-CD2 3.42Å; F86-H95 AromaticContact CZ-CE1 3.9Å; F86-H95 AromaticContact CZ-CG 3.1Å; F86-H95 AromaticContact CZ-ND1 3.54Å; F86-H95 AromaticContact CZ-NE2 3.71Å
87	T	77.7	Confident	69.6	Low	88 Å²	88	81.4 Å²	81.4	54%	0.54	42%	0.415	S	S	.	.	S	Bend	trans	-75.2	-14.3	178.7	50.1	0	0	0	0	113.6	F76	F76-T87 HydrophobicContact CD1-CG2 3.91Å; F76-T87 HydrophobicContact CE1-CG2 3.48Å; F76-T87 VanDerWaalsContact CE1-CG2 3.48Å; F76-T87 HydrophobicContact CZ-CG2 4.44Å
88	K	75.2	Confident	68.8	Low	133 Å²	133	80.5 Å²	80.5	58%	0.578	42%	0.415	S	S	*	.	S	Bend	trans	-131.5	136	178.6	-64	-176.3	179.4	-177.3	0	110.3	F86 S90 S91 L92	F86-K88 VanDerWaalsContact C-N 3.27Å; F86-K88 PolarHBondContact O-N 2.69Å; K88-S90 PolarHBondContact O-N 2.76Å; K88-S91 WeakPolarHBondContact O-CB 3.43Å; K88-S91 PolarHBondContact O-N 3.19Å; K88-L92 PolarHBondContact O-N 3.07Å; K88-L92 VanDerWaalsContact O-N 3.12Å
89	L	76.9	Confident	68.1	Low	72 Å²	72	76.1 Å²	76.1	38%	0.377	40%	0.402	S	S	.	.	H	α-helix	trans	-59.7	-32.2	176.8	-177.3	62.3	0	0	0	112.2	Y77 S91 L92 K93	Y77-L89 HydrophobicContact CD1-CB 4.12Å; Y77-L89 HydrophobicContact CD1-CD1 3.61Å; Y77-L89 HydrophobicContact CD1-CG 4.39Å; Y77-L89 HydrophobicContact CD2-CB 4.02Å; Y77-L89 VanDerWaalsContact CD2-N 3.25Å; Y77-L89 HydrophobicContact CE1-CB 3.95Å; Y77-L89 HydrophobicContact CE1-CD1 3.92Å; Y77-L89 HydrophobicContact CE1-CD2 4.48Å; Y77-L89 HydrophobicContact CE1-CG 4.32Å; Y77-L89 HydrophobicContact CE2-CB 3.84Å; Y77-L89 HydrophobicContact CG-CB 4.15Å; Y77-L89 HydrophobicContact CG-CD1 4.08Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 3.35Å; L89-L92 HydrophobicContact CD1-CD2 4.33Å; L89-L92 PolarHBondContact O-N 3.48Å; L89-K93 WeakPolarHBondContact O-CG 3.1Å; L89-K93 PolarHBondContact O-N 2.84Å
90	S	71.9	Confident	67.7	Low	74 Å²	74	80.5 Å²	80.5	52%	0.517	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-38.1	174.2	54.4	0	0	0	0	112.6	K88 K93 V94	K88-S90 PolarHBondContact O-N 2.76Å; S90-K93 PolarHBondContact O-N 2.88Å; S90-V94 WeakPolarHBondContact O-CG2 3.47Å; S90-V94 PolarHBondContact O-N 3.07Å
91	S	73.4	Confident	67	Low	50 Å²	50	75.8 Å²	75.8	35%	0.35	42%	0.418	S	S	.	.	H	α-helix	trans	-69.3	-38.1	174.7	-56.3	0	0	0	0	111.7	K88 L89 H95	K88-S91 WeakPolarHBondContact O-CB 3.43Å; K88-S91 PolarHBondContact O-N 3.19Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 3.35Å; S91-H95 VanDerWaalsContact O-CB 3.25Å; S91-H95 WeakPolarHBondContact O-CB 3.48Å; S91-H95 PolarHBondContact O-N 3.4Å
92	L	71	Confident	67	Low	10 Å²	10	73.3 Å²	73.3	5%	0.052	41%	0.409	C	S	.	.	H	α-helix	trans	-63	-47.9	170.3	177.5	65.7	0	0	0	111.1	C79 F86 K88 L89 V94 H95 Q96	C79-L92 HydrophobicContact CB-CD1 3.59Å; F86-L92 HydrophobicContact CB-CB 4.23Å; F86-L92 HydrophobicContact CD2-CB 4.09Å; F86-L92 HydrophobicContact CD2-CD1 3.77Å; F86-L92 HydrophobicContact CE2-CD1 4.15Å; F86-L92 HydrophobicContact CG-CB 4.34Å; K88-L92 PolarHBondContact O-N 3.07Å; K88-L92 VanDerWaalsContact O-N 3.12Å; L89-L92 HydrophobicContact CD1-CD2 4.33Å; L89-L92 PolarHBondContact O-N 3.48Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 3.3Å; L92-H95 CarbonylContact O-C 3.43Å; L92-H95 WeakPolarHBondContact O-CA 3.33Å; L92-H95 PolarHBondContact O-N 2.78Å; L92-Q96 HydrophobicContact CD1-CG 3.87Å; L92-Q96 HydrophobicContact CG-CG 4.01Å; L92-Q96 PolarHBondContact O-N 3.39Å
93	K	71.6	Confident	67	Low	114 Å²	114	75.4 Å²	75.4	50%	0.496	41%	0.412	S	S	.	.	H	α-helix	trans	-58.8	-42.1	179.5	-77.6	-178.2	178.7	-177.3	0	112.3	L89 S90 H95 R97	L89-K93 WeakPolarHBondContact O-CG 3.1Å; L89-K93 PolarHBondContact O-N 2.84Å; S90-K93 PolarHBondContact O-N 2.88Å; K93-H95 VanDerWaalsContact C-N 3.3Å; K93-R97 WeakPolarHBondContact O-CG 3.31Å; K93-R97 PolarHBondContact O-N 3.07Å
94	V	65.1	Low	67	Low	77 Å²	77	77.3 Å²	77.3	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-40	173	172.5	0	0	0	0	110.3	S90 L92 R97 L98	S90-V94 WeakPolarHBondContact O-CG2 3.47Å; S90-V94 PolarHBondContact O-N 3.07Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 3.3Å; V94-R97 WeakPolarHBondContact O-CB 3.13Å; V94-L98 HydrophobicContact CG1-CD1 4.49Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.36Å; V94-L98 PolarHBondContact O-N 3.47Å
95	H	66.1	Low	67.3	Low	13 Å²	13	76 Å²	76	6%	0.06	41%	0.41	C	S	.	.	H	α-helix	trans	-75.6	-32.9	-179.7	170.2	74.5	0	0	0	115.3	C79 C82 F86 S91 L92 K93 R97 L98 C99	C79-H95 WeakPolarHBondContact CB-CD2 3.49Å; C79-H95 VanDerWaalsContact CB-NE2 3.29Å; C79-H95 WeakPolarHBondContact CB-NE2 3.36Å; C79-H95 PolarHBondContact SG-CD2 3.4Å; C82-H95 PolarHBondContact SG-CE1 3.33Å; C82-H95 PolarHBondContact SG-NE2 3.43Å; F86-H95 HydrophobicContact CD2-CB 4.49Å; F86-H95 HydrophobicContact CE1-CB 3.88Å; F86-H95 HydrophobicContact CE2-CB 3.75Å; F86-H95 AromaticContact CE2-CD2 3.03Å; F86-H95 WeakPolarHBondContact CE2-CD2 3.35Å; F86-H95 AromaticContact CE2-CG 3.37Å; F86-H95 AromaticContact CE2-NE2 3.55Å; F86-H95 HydrophobicContact CZ-CB 3.4Å; F86-H95 VanDerWaalsContact CZ-CB 3.4Å; F86-H95 AromaticContact CZ-CD2 3.3Å; F86-H95 WeakPolarHBondContact CZ-CD2 3.42Å; F86-H95 AromaticContact CZ-CE1 3.9Å; F86-H95 AromaticContact CZ-CG 3.1Å; F86-H95 AromaticContact CZ-ND1 3.54Å; F86-H95 AromaticContact CZ-NE2 3.71Å; S91-H95 VanDerWaalsContact O-CB 3.25Å; S91-H95 WeakPolarHBondContact O-CB 3.48Å; S91-H95 PolarHBondContact O-N 3.4Å; L92-H95 CarbonylContact O-C 3.43Å; L92-H95 WeakPolarHBondContact O-CA 3.33Å; L92-H95 PolarHBondContact O-N 2.78Å; K93-H95 VanDerWaalsContact C-N 3.3Å; H95-R97 VanDerWaalsContact C-N 3.28Å; H95-R97 PolarHBondContact O-N 3.43Å; H95-L98 CarbonylContact O-C 3.31Å; H95-L98 VanDerWaalsContact O-CA 3.26Å; H95-L98 WeakPolarHBondContact O-CA 3.15Å; H95-L98 VanDerWaalsContact O-CB 3.22Å; H95-L98 WeakPolarHBondContact O-CB 3.31Å; H95-L98 PolarHBondContact O-N 2.79Å; H95-C99 PolarHBondContact CE1-SG 3.24Å; H95-C99 PolarHBondContact O-N 3.39Å
96	Q	65	Low	67.6	Low	70 Å²	70	79.4 Å²	79.4	33%	0.327	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-42.7	171.1	-78.4	172.2	-40.1	0	0	109.7	L92 L98 C99 T100	L92-Q96 HydrophobicContact CD1-CG 3.87Å; L92-Q96 HydrophobicContact CG-CG 4.01Å; L92-Q96 PolarHBondContact O-N 3.39Å; Q96-L98 PolarHBondContact O-N 2.77Å; Q96-C99 PolarHBondContact O-N 3.46Å; Q96-C99 VanDerWaalsContact O-N 3.13Å; Q96-T100 PolarHBondContact O-N 3.47Å; Q96-T100 PolarHBondContact O-OG1 2.81Å
97	R	60.6	Low	67.8	Low	157 Å²	157	77.2 Å²	77.2	59%	0.592	41%	0.407	S	S	*	.	H	α-helix	trans	-59.9	-26.9	168.9	-62	175.4	-164.1	178.8	1.8	113	K93 V94 H95 T100 D102	K93-R97 WeakPolarHBondContact O-CG 3.31Å; K93-R97 PolarHBondContact O-N 3.07Å; V94-R97 WeakPolarHBondContact O-CB 3.13Å; H95-R97 VanDerWaalsContact C-N 3.28Å; H95-R97 PolarHBondContact O-N 3.43Å; R97-T100 PolarHBondContact O-OG1 3.16Å; R97-D102 WeakPolarHBondContact O-CB 3.4Å; R97-D102 PolarHBondContact O-N 2.8Å; R97-D102 VanDerWaalsContact O-N 3.11Å
98	L	54	Low	67.8	Low	67 Å²	67	80.6 Å²	80.6	35%	0.351	42%	0.421	S	S	.	.	H	α-helix	trans	-81.2	-28.3	176.1	-64.2	172.6	0	0	0	113.6	V94 H95 Q96 K115	V94-L98 HydrophobicContact CG1-CD1 4.49Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.36Å; V94-L98 PolarHBondContact O-N 3.47Å; H95-L98 CarbonylContact O-C 3.31Å; H95-L98 VanDerWaalsContact O-CA 3.26Å; H95-L98 WeakPolarHBondContact O-CA 3.15Å; H95-L98 VanDerWaalsContact O-CB 3.22Å; H95-L98 WeakPolarHBondContact O-CB 3.31Å; H95-L98 PolarHBondContact O-N 2.79Å; Q96-L98 PolarHBondContact O-N 2.77Å; L98-K115 HydrophobicContact CD2-CB 4.42Å; L98-K115 HydrophobicContact CD2-CD 3.53Å; L98-K115 HydrophobicContact CD2-CG 3.87Å
99	C	59.3	Low	67.8	Low	46 Å²	46	80.2 Å²	80.2	31%	0.311	42%	0.422	S	S	.	.	H	α-helix	trans	-83	-29.3	176.6	-74.1	0	0	0	0	111.8	E81 C82 H95 Q96 G101	E81-C99 HydrophobicContact CB-CB 3.73Å; E81-C99 HydrophobicContact CG-CB 4.46Å; C82-C99 HydrophobicContact CB-CB 4.19Å; C82-C99 WeakPolarHBondContact CB-SG 3.29Å; C82-C99 WeakPolarHBondContact SG-CB 3.4Å; C82-C99 CovalentContact SG-SG 2.06Å; C82-C99 PolarHBondContact SG-SG 3.03Å; H95-C99 PolarHBondContact CE1-SG 3.24Å; H95-C99 PolarHBondContact O-N 3.39Å; Q96-C99 PolarHBondContact O-N 3.46Å; Q96-C99 VanDerWaalsContact O-N 3.13Å; C99-G101 PolarHBondContact O-N 3.06Å
100	T	58.9	Low	67.9	Low	95 Å²	95	79.1 Å²	79.1	58%	0.583	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	9.8	169.3	57.7	0	0	0	0	114.2	Q96 R97 D102	Q96-T100 PolarHBondContact O-N 3.47Å; Q96-T100 PolarHBondContact O-OG1 2.81Å; R97-T100 PolarHBondContact O-OG1 3.16Å; T100-D102 PolarHBondContact O-N 3.43Å
101	G	57	Low	68.1	Low	53 Å²	53	77.9 Å²	77.9	55%	0.546	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	8.2	-179.3	0	0	0	0	0	114.5	C99 K103	C99-G101 PolarHBondContact O-N 3.06Å; G101-K103 PolarHBondContact O-N 3.17Å
102	D	58.1	Low	68.2	Low	88 Å²	88	81.5 Å²	81.5	47%	0.471	43%	0.428	S	S	.	.			trans	-74.1	105.1	-169.2	-154.5	-1.1	0	0	0	110.3	R97 T100 P104	R97-D102 WeakPolarHBondContact O-CB 3.4Å; R97-D102 PolarHBondContact O-N 2.8Å; R97-D102 VanDerWaalsContact O-N 3.11Å; T100-D102 PolarHBondContact O-N 3.43Å; D102-P104 VanDerWaalsContact C-CD 3.43Å; D102-P104 WeakPolarHBondContact O-CD 3.34Å
103	K	69	Low	68	Low	96 Å²	96	82.8 Å²	82.8	42%	0.417	44%	0.438	S	S	.	.			trans	-111.4	78.8	176.9	-68.8	-175.8	-157.5	161.5	0	107	G101 Y105 S113 F114 K115	G101-K103 PolarHBondContact O-N 3.17Å; K103-Y105 PolarHBondContact O-N 3.35Å; K103-S113 VanDerWaalsContact CB-CB 3.43Å; K103-S113 WeakPolarHBondContact CD-O 3.24Å; K103-S113 WeakPolarHBondContact O-CB 3.26Å; K103-F114 CarbonylContact C-O 3.52Å; K103-K115 HydrophobicContact CG-CG 4.37Å
104	P	70.8	Confident	68.2	Low	77 Å²	77	79.3 Å²	79.3	50%	0.5	42%	0.423	S	S	.	.			trans	-62.1	-25.3	-166.4	19.5	-31.4	0	0	0	113.3	D102 K106	D102-P104 VanDerWaalsContact C-CD 3.43Å; D102-P104 WeakPolarHBondContact O-CD 3.34Å; P104-K106 PolarHBondContact O-N 3.36Å
105	Y	73.9	Confident	68.7	Low	104 Å²	104	81 Å²	81	41%	0.408	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	96.8	-176.5	-52.6	-76.5	0	0	0	110.9	K103 S113 F114 L117 V120	K103-Y105 PolarHBondContact O-N 3.35Å; Y105-S113 CarbonylContact O-C 3.43Å; Y105-F114 PolarHBondContact N-O 3.49Å; Y105-F114 PolarHBondContact O-N 2.91Å; Y105-L117 HydrophobicContact CD1-CB 4.02Å; Y105-L117 HydrophobicContact CD1-CD1 3.99Å; Y105-L117 HydrophobicContact CE1-CB 4.09Å; Y105-L117 HydrophobicContact CG-CB 4.29Å; Y105-V120 VanDerWaalsContact O-CG2 3.26Å; Y105-V120 WeakPolarHBondContact O-CG2 3.28Å
106	K	72	Confident	69.3	Low	138 Å²	138	85.5 Å²	85.5	60%	0.6	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.2	176.8	-53.8	-165	175.7	170.9	0	111.3	P104 K112 S113	P104-K106 PolarHBondContact O-N 3.36Å; K106-K112 CarbonylContact C-O 3.59Å; K106-K112 WeakPolarHBondContact CA-O 3.42Å; K106-S113 WeakPolarHBondContact CG-OG 3.49Å
107	C	77.3	Confident	70	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	46%	0.457	C	S	.	.			trans	-83.2	119.7	167.6	176.8	0	0	0	0	108.9	E109 C110 G111 K112 F114 V120 H123	C107-E109 PolarHBondContact O-N 3.16Å; C107-C110 PolarHBondContact O-N 3.24Å; C107-G111 VanDerWaalsContact O-CA 3.27Å; C107-G111 WeakPolarHBondContact O-CA 3.2Å; C107-G111 PolarHBondContact O-N 2.85Å; C107-K112 PolarHBondContact N-O 2.99Å; C107-F114 HydrophobicContact CB-CE2 4.19Å; C107-V120 HydrophobicContact CB-CG1 4.42Å; C107-H123 PolarHBondContact SG-NE2 3.29Å
108	N	77.4	Confident	70.9	Confident	158 Å²	158	83.4 Å²	83.4	85%	0.845	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-27	-177.1	-62.8	-4.4	0	0	0	113.2
109	E	74.6	Confident	72.2	Confident	125 Å²	125	82.3 Å²	82.3	58%	0.584	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-23.9	-176.8	-65.8	175.9	143.6	0	0	114.2	C107 H127	C107-E109 PolarHBondContact O-N 3.16Å; E109-H127 WeakPolarHBondContact OE2-CB 3.22Å; E109-H127 IonicContact OE2-CD2 3.12Å; E109-H127 PolarHBondContact OE2-CD2 3.09Å; E109-H127 VanDerWaalsContact OE2-CD2 3.29Å; E109-H127 IonicContact OE2-CG 3.26Å; E109-H127 IonicContact OE2-ND1 3.08Å
110	C	78.2	Confident	73.2	Confident	50 Å²	50	80.4 Å²	80.4	34%	0.338	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	5.3	179.7	73	0	0	0	0	115.7	C107 K112 H123 H127	C107-C110 PolarHBondContact O-N 3.24Å; C110-K112 PolarHBondContact O-N 3.3Å; C110-H123 VanDerWaalsContact SG-CE1 3.57Å; C110-H123 PolarHBondContact SG-NE2 3.32Å; C110-H127 PolarHBondContact SG-NE2 3.47Å
111	G	76.2	Confident	74.4	Confident	48 Å²	48	82.5 Å²	82.5	50%	0.495	44%	0.438	S	S	.	.			trans	70.2	-5.1	179.4	0	0	0	0	0	115.4	C107 S113	C107-G111 VanDerWaalsContact O-CA 3.27Å; C107-G111 WeakPolarHBondContact O-CA 3.2Å; C107-G111 PolarHBondContact O-N 2.85Å; G111-S113 PolarHBondContact O-N 3.45Å; G111-S113 PolarHBondContact O-OG 3.11Å
112	K	75.3	Confident	75.6	Confident	125 Å²	125	82.4 Å²	82.4	54%	0.543	43%	0.425	S	S	.	.			trans	-63	129.4	-179.1	-73.4	178.7	-175.9	169.1	0	110.4	K106 C107 C110 F114	K106-K112 CarbonylContact C-O 3.59Å; K106-K112 WeakPolarHBondContact CA-O 3.42Å; C107-K112 PolarHBondContact N-O 2.99Å; C110-K112 PolarHBondContact O-N 3.3Å; K112-F114 HydrophobicContact CB-CE2 3.57Å; K112-F114 HydrophobicContact CB-CZ 3.8Å; K112-F114 VanDerWaalsContact O-CD2 3.28Å; K112-F114 WeakPolarHBondContact O-CD2 3.26Å; K112-F114 WeakPolarHBondContact O-CE2 3.45Å
113	S	68.4	Low	76.7	Confident	37 Å²	37	79 Å²	79	26%	0.259	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.6	-177.4	-52	0	0	0	0	110.2	K103 Y105 K106 G111	K103-S113 VanDerWaalsContact CB-CB 3.43Å; K103-S113 WeakPolarHBondContact CD-O 3.24Å; K103-S113 WeakPolarHBondContact O-CB 3.26Å; Y105-S113 CarbonylContact O-C 3.43Å; K106-S113 WeakPolarHBondContact CG-OG 3.49Å; G111-S113 PolarHBondContact O-N 3.45Å; G111-S113 PolarHBondContact O-OG 3.11Å
114	F	75.3	Confident	77.4	Confident	42 Å²	42	78.3 Å²	78.3	18%	0.184	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.2	-175.7	-59.2	-97.3	0	0	0	112	K103 Y105 C107 K112 V120 H123	K103-F114 CarbonylContact C-O 3.52Å; Y105-F114 PolarHBondContact N-O 3.49Å; Y105-F114 PolarHBondContact O-N 2.91Å; C107-F114 HydrophobicContact CB-CE2 4.19Å; K112-F114 HydrophobicContact CB-CE2 3.57Å; K112-F114 HydrophobicContact CB-CZ 3.8Å; K112-F114 VanDerWaalsContact O-CD2 3.28Å; K112-F114 WeakPolarHBondContact O-CD2 3.26Å; K112-F114 WeakPolarHBondContact O-CE2 3.45Å; F114-V120 HydrophobicContact CB-CG2 3.62Å; F114-V120 HydrophobicContact CD2-CB 4.34Å; F114-V120 HydrophobicContact CD2-CG2 3.63Å; F114-V120 HydrophobicContact CG-CG2 3.86Å; F114-H123 HydrophobicContact CD1-CB 4.44Å; F114-H123 HydrophobicContact CE1-CB 3.65Å; F114-H123 AromaticContact CE1-CG 3.81Å; F114-H123 HydrophobicContact CE2-CB 3.96Å; F114-H123 AromaticContact CE2-CD2 3.22Å; F114-H123 WeakPolarHBondContact CE2-CD2 3.3Å; F114-H123 AromaticContact CE2-CG 3.55Å; F114-H123 AromaticContact CE2-NE2 3.75Å; F114-H123 HydrophobicContact CZ-CB 3.39Å; F114-H123 AromaticContact CZ-CD2 3.24Å; F114-H123 WeakPolarHBondContact CZ-CD2 3.34Å; F114-H123 AromaticContact CZ-CE1 3.87Å; F114-H123 AromaticContact CZ-CG 3.04Å; F114-H123 AromaticContact CZ-ND1 3.48Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.38Å; F114-H123 AromaticContact CZ-NE2 3.71Å
115	K	75.2	Confident	78	Confident	111 Å²	111	77 Å²	77	48%	0.483	39%	0.389	S	S	.	.	S	Bend	trans	-71.8	-30.6	-177.3	-63.3	179.6	174	-166.9	0	113.7	L98 K103	L98-K115 HydrophobicContact CD2-CB 4.42Å; L98-K115 HydrophobicContact CD2-CD 3.53Å; L98-K115 HydrophobicContact CD2-CG 3.87Å; K103-K115 HydrophobicContact CG-CG 4.37Å
116	H	78.2	Confident	78.2	Confident	108 Å²	108	77.5 Å²	77.5	50%	0.5	40%	0.399	S	S	.	.	S	Bend	trans	-134.9	144.7	-178.1	-60.2	-69.7	0	0	0	109.8	S118 S119 V120	H116-S118 PolarHBondContact O-N 2.97Å; H116-S119 WeakPolarHBondContact O-CA 3.36Å; H116-S119 VanDerWaalsContact O-CB 3.26Å; H116-S119 WeakPolarHBondContact O-CB 3.5Å; H116-S119 PolarHBondContact O-N 3.33Å; H116-V120 PolarHBondContact O-N 3.2Å
117	L	79.7	Confident	78.6	Confident	111 Å²	111	74.6 Å²	74.6	58%	0.581	39%	0.387	S	S	*	.	H	α-helix	trans	-56.2	-36.5	174.1	-174.5	64.8	0	0	0	112.2	Y105 S119 V120 K121	Y105-L117 HydrophobicContact CD1-CB 4.02Å; Y105-L117 HydrophobicContact CD1-CD1 3.99Å; Y105-L117 HydrophobicContact CE1-CB 4.09Å; Y105-L117 HydrophobicContact CG-CB 4.29Å; L117-S119 PolarHBondContact O-N 3.42Å; L117-V120 WeakPolarHBondContact O-CB 3.42Å; L117-V120 PolarHBondContact O-N 3.29Å; L117-V120 VanDerWaalsContact O-N 3.11Å; L117-K121 PolarHBondContact O-N 2.93Å
118	S	80.4	Confident	78.9	Confident	72 Å²	72	79.1 Å²	79.1	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-58.6	-34.5	173.8	61	0	0	0	0	112.7	H116 I122	H116-S118 PolarHBondContact O-N 2.97Å; S118-I122 WeakPolarHBondContact O-CD1 3.33Å; S118-I122 VanDerWaalsContact O-CG1 3.26Å; S118-I122 WeakPolarHBondContact O-CG1 3.45Å; S118-I122 PolarHBondContact O-N 3Å
119	S	81.2	Confident	79	Confident	45 Å²	45	73.8 Å²	73.8	32%	0.315	40%	0.397	S	S	.	.	H	α-helix	trans	-72.5	-37.9	175.9	-60.8	0	0	0	0	111.9	H116 L117 H123	H116-S119 WeakPolarHBondContact O-CA 3.36Å; H116-S119 VanDerWaalsContact O-CB 3.26Å; H116-S119 WeakPolarHBondContact O-CB 3.5Å; H116-S119 PolarHBondContact O-N 3.33Å; L117-S119 PolarHBondContact O-N 3.42Å; S119-H123 VanDerWaalsContact O-CB 3.25Å; S119-H123 WeakPolarHBondContact O-CB 3.46Å; S119-H123 PolarHBondContact O-N 3.01Å
120	V	80.7	Confident	79.5	Confident	5 Å²	5	74.6 Å²	74.6	3%	0.03	40%	0.396	C	S	.	.	H	α-helix	trans	-62	-48.6	170.5	-175.2	0	0	0	0	110.5	Y105 C107 F114 H116 L117 I122 H123 Q124	Y105-V120 VanDerWaalsContact O-CG2 3.26Å; Y105-V120 WeakPolarHBondContact O-CG2 3.28Å; C107-V120 HydrophobicContact CB-CG1 4.42Å; F114-V120 HydrophobicContact CB-CG2 3.62Å; F114-V120 HydrophobicContact CD2-CB 4.34Å; F114-V120 HydrophobicContact CD2-CG2 3.63Å; F114-V120 HydrophobicContact CG-CG2 3.86Å; H116-V120 PolarHBondContact O-N 3.2Å; L117-V120 WeakPolarHBondContact O-CB 3.42Å; L117-V120 PolarHBondContact O-N 3.29Å; L117-V120 VanDerWaalsContact O-N 3.11Å; V120-I122 VanDerWaalsContact C-N 3.28Å; V120-I122 PolarHBondContact O-N 3.33Å; V120-H123 CarbonylContact O-C 3.58Å; V120-H123 WeakPolarHBondContact O-CA 3.39Å; V120-H123 WeakPolarHBondContact O-CB 3.29Å; V120-H123 PolarHBondContact O-N 3.01Å; V120-Q124 HydrophobicContact CG1-CG 4.11Å; V120-Q124 WeakPolarHBondContact O-CG 3.1Å; V120-Q124 PolarHBondContact O-N 3.21Å
121	K	84.4	Confident	79.9	Confident	139 Å²	139	77.4 Å²	77.4	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-58.9	-39.8	-178.9	-170.4	172	-173.6	171.9	0	112	L117	L117-K121 PolarHBondContact O-N 2.93Å
122	I	82	Confident	80.4	Confident	51 Å²	51	77.4 Å²	77.4	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-72.9	-32.7	174.2	-61.9	162.9	0	0	0	111.6	S118 V120 R125 K144	S118-I122 WeakPolarHBondContact O-CD1 3.33Å; S118-I122 VanDerWaalsContact O-CG1 3.26Å; S118-I122 WeakPolarHBondContact O-CG1 3.45Å; S118-I122 PolarHBondContact O-N 3Å; V120-I122 VanDerWaalsContact C-N 3.28Å; V120-I122 PolarHBondContact O-N 3.33Å; I122-R125 WeakPolarHBondContact O-CB 3.32Å; I122-K144 HydrophobicContact CG2-CD 4.13Å; I122-K144 HydrophobicContact CG2-CG 3.7Å
123	H	81.4	Confident	81.1	Confident	16 Å²	16	75.4 Å²	75.4	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-69.6	-40.4	175.3	163.4	69.6	0	0	0	113	C107 C110 F114 S119 V120 R125 L126 H127	C107-H123 PolarHBondContact SG-NE2 3.29Å; C110-H123 VanDerWaalsContact SG-CE1 3.57Å; C110-H123 PolarHBondContact SG-NE2 3.32Å; F114-H123 HydrophobicContact CD1-CB 4.44Å; F114-H123 HydrophobicContact CE1-CB 3.65Å; F114-H123 AromaticContact CE1-CG 3.81Å; F114-H123 HydrophobicContact CE2-CB 3.96Å; F114-H123 AromaticContact CE2-CD2 3.22Å; F114-H123 WeakPolarHBondContact CE2-CD2 3.3Å; F114-H123 AromaticContact CE2-CG 3.55Å; F114-H123 AromaticContact CE2-NE2 3.75Å; F114-H123 HydrophobicContact CZ-CB 3.39Å; F114-H123 AromaticContact CZ-CD2 3.24Å; F114-H123 WeakPolarHBondContact CZ-CD2 3.34Å; F114-H123 AromaticContact CZ-CE1 3.87Å; F114-H123 AromaticContact CZ-CG 3.04Å; F114-H123 AromaticContact CZ-ND1 3.48Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.38Å; F114-H123 AromaticContact CZ-NE2 3.71Å; S119-H123 VanDerWaalsContact O-CB 3.25Å; S119-H123 WeakPolarHBondContact O-CB 3.46Å; S119-H123 PolarHBondContact O-N 3.01Å; V120-H123 CarbonylContact O-C 3.58Å; V120-H123 WeakPolarHBondContact O-CA 3.39Å; V120-H123 WeakPolarHBondContact O-CB 3.29Å; V120-H123 PolarHBondContact O-N 3.01Å; H123-R125 PolarHBondContact O-N 3.25Å; H123-R125 VanDerWaalsContact O-N 3.13Å; H123-L126 WeakPolarHBondContact O-CB 3.41Å; H123-L126 WeakPolarHBondContact O-CG 3.35Å; H123-L126 PolarHBondContact O-N 2.9Å; H123-H127 AromaticContact CE1-NE2 3.61Å; H123-H127 AromaticContact NE2-CD2 3.91Å; H123-H127 AromaticContact NE2-NE2 3.41Å; H123-H127 PolarHBondContact NE2-NE2 3.36Å
124	Q	81.8	Confident	82	Confident	82 Å²	82	79.6 Å²	79.6	38%	0.383	40%	0.397	S	S	.	.	H	α-helix	trans	-56.5	-28.1	175.6	-78.4	173.8	-31.7	0	0	112.3	V120 L126 H127 T128	V120-Q124 HydrophobicContact CG1-CG 4.11Å; V120-Q124 WeakPolarHBondContact O-CG 3.1Å; V120-Q124 PolarHBondContact O-N 3.21Å; Q124-L126 PolarHBondContact O-N 3.44Å; Q124-L126 VanDerWaalsContact O-N 3.12Å; Q124-H127 PolarHBondContact O-N 3.12Å; Q124-T128 PolarHBondContact O-N 3.2Å; Q124-T128 VanDerWaalsContact O-N 3.11Å; Q124-T128 PolarHBondContact O-OG1 3.24Å
125	R	85	Confident	82.7	Confident	49 Å²	49	77.6 Å²	77.6	19%	0.185	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.4	171.4	-63.7	178.6	-173.6	178.9	-4.1	113.9	I122 H123 G129 Y130 T143	I122-R125 WeakPolarHBondContact O-CB 3.32Å; H123-R125 PolarHBondContact O-N 3.25Å; H123-R125 VanDerWaalsContact O-N 3.13Å; R125-G129 CarbonylContact O-C 3.54Å; R125-G129 PolarHBondContact O-N 3.15Å; R125-Y130 WeakPolarHBondContact CB-O 3.39Å; R125-Y130 HydrophobicContact CG-CD1 4.34Å; R125-Y130 PolarHBondContact O-N 3.31Å; R125-T143 HydrophobicContact CB-CG2 3.83Å; R125-T143 PolarHBondContact NH1-O 3.44Å
126	L	77.4	Confident	83.3	Confident	115 Å²	115	79.4 Å²	79.4	60%	0.602	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-31.4	174	-61.1	174.8	0	0	0	112.1	H123 Q124 T143	H123-L126 WeakPolarHBondContact O-CB 3.41Å; H123-L126 WeakPolarHBondContact O-CG 3.35Å; H123-L126 PolarHBondContact O-N 2.9Å; Q124-L126 PolarHBondContact O-N 3.44Å; Q124-L126 VanDerWaalsContact O-N 3.12Å; L126-T143 HydrophobicContact CD2-CG2 4.18Å
127	H	80.2	Confident	83.4	Confident	78 Å²	78	80.2 Å²	80.2	36%	0.361	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-47.5	177.9	-68.9	-68.4	0	0	0	111.8	E109 C110 H123 Q124 G129	E109-H127 WeakPolarHBondContact OE2-CB 3.22Å; E109-H127 IonicContact OE2-CD2 3.12Å; E109-H127 PolarHBondContact OE2-CD2 3.09Å; E109-H127 VanDerWaalsContact OE2-CD2 3.29Å; E109-H127 IonicContact OE2-CG 3.26Å; E109-H127 IonicContact OE2-ND1 3.08Å; C110-H127 PolarHBondContact SG-NE2 3.47Å; H123-H127 AromaticContact CE1-NE2 3.61Å; H123-H127 AromaticContact NE2-CD2 3.91Å; H123-H127 AromaticContact NE2-NE2 3.41Å; H123-H127 PolarHBondContact NE2-NE2 3.36Å; Q124-H127 PolarHBondContact O-N 3.12Å; H127-G129 PolarHBondContact O-N 3.03Å
128	T	83.3	Confident	83.7	Confident	95 Å²	95	77.5 Å²	77.5	58%	0.583	40%	0.397	S	S	*	.	S	Bend	trans	-71.3	-11.1	177.8	60.7	0	0	0	0	113.3	Q124 Y130	Q124-T128 PolarHBondContact O-N 3.2Å; Q124-T128 VanDerWaalsContact O-N 3.11Å; Q124-T128 PolarHBondContact O-OG1 3.24Å; T128-Y130 PolarHBondContact O-N 3.14Å; T128-Y130 WeakPolarHBondContact OG1-CB 3.41Å; T128-Y130 PolarHBondContact OG1-N 2.79Å
129	G	80.4	Confident	84	Confident	46 Å²	46	75.8 Å²	75.8	47%	0.474	39%	0.391	S	S	.	.			trans	65.2	4	-170	0	0	0	0	0	113.8	R125 H127 K131	R125-G129 CarbonylContact O-C 3.54Å; R125-G129 PolarHBondContact O-N 3.15Å; H127-G129 PolarHBondContact O-N 3.03Å; G129-K131 WeakPolarHBondContact O-CG 3.19Å; G129-K131 PolarHBondContact O-N 2.87Å
130	Y	84	Confident	84.2	Confident	142 Å²	142	79.6 Å²	79.6	56%	0.557	40%	0.402	S	S	*	.			trans	-68.8	113.8	-174.6	-178	-109.7	0	0	0	111.4	R125 T128 P132	R125-Y130 WeakPolarHBondContact CB-O 3.39Å; R125-Y130 HydrophobicContact CG-CD1 4.34Å; R125-Y130 PolarHBondContact O-N 3.31Å; T128-Y130 PolarHBondContact O-N 3.14Å; T128-Y130 WeakPolarHBondContact OG1-CB 3.41Å; T128-Y130 PolarHBondContact OG1-N 2.79Å; Y130-P132 HydrophobicContact CD1-CG 4.29Å; Y130-P132 HydrophobicContact CE1-CB 3.84Å; Y130-P132 HydrophobicContact CE1-CG 3.81Å; Y130-P132 WeakPolarHBondContact O-CD 3.3Å
131	K	87.7	Confident	84.6	Confident	108 Å²	108	81.3 Å²	81.3	47%	0.47	41%	0.414	S	S	.	.			trans	-123.4	88.4	-176.8	-69.1	-179.6	-156.7	171.6	0	109.5	G129 Y133 S141 F142 T143	G129-K131 WeakPolarHBondContact O-CG 3.19Å; G129-K131 PolarHBondContact O-N 2.87Å; K131-Y133 PolarHBondContact O-N 3.06Å; K131-S141 WeakPolarHBondContact CD-O 3.48Å; K131-S141 VanDerWaalsContact O-CB 3.29Å; K131-S141 WeakPolarHBondContact O-CB 3.31Å; K131-F142 CarbonylContact C-O 3.42Å; K131-F142 WeakPolarHBondContact CA-O 3.35Å; K131-T143 HydrophobicContact CG-CG2 3.81Å
132	P	85.6	Confident	84.7	Confident	48 Å²	48	76.7 Å²	76.7	31%	0.312	39%	0.394	S	S	.	.			trans	-68.8	-20.7	-171.8	22.1	-29.9	0	0	0	113.8	Y130 K134	Y130-P132 HydrophobicContact CD1-CG 4.29Å; Y130-P132 HydrophobicContact CE1-CB 3.84Å; Y130-P132 HydrophobicContact CE1-CG 3.81Å; Y130-P132 WeakPolarHBondContact O-CD 3.3Å; P132-K134 PolarHBondContact O-N 3.03Å
133	Y	90.2	Very high	84.9	Confident	83 Å²	83	75.1 Å²	75.1	33%	0.325	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	91.3	-174.7	-53.9	-74	0	0	0	110.5	K131 S141 F142 S145	K131-Y133 PolarHBondContact O-N 3.06Å; Y133-S141 CarbonylContact O-C 3.59Å; Y133-S141 VanDerWaalsContact O-CA 3.32Å; Y133-S141 WeakPolarHBondContact O-CA 3.39Å; Y133-F142 WeakPolarHBondContact CD2-O 3.42Å; Y133-F142 PolarHBondContact N-O 3.13Å; Y133-F142 PolarHBondContact O-N 2.9Å; Y133-S145 VanDerWaalsContact CE2-N 3.33Å
134	K	88	Confident	85.2	Confident	126 Å²	126	78.8 Å²	78.8	55%	0.548	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.3	-179.9	-172.1	175.5	178.5	-173.2	0	111.6	P132 S141	P132-K134 PolarHBondContact O-N 3.03Å; K134-S141 WeakPolarHBondContact CB-OG 3.42Å; K134-S141 WeakPolarHBondContact CG-OG 3.35Å
135	C	89.4	Confident	85.5	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.406	C	S	.	.			trans	-79.5	122.2	167.5	-179.1	0	0	0	0	108.9	E137 G139 K140 L148 H155	C135-E137 VanDerWaalsContact C-N 3.3Å; C135-E137 PolarHBondContact O-N 3Å; C135-G139 WeakPolarHBondContact O-CA 3.42Å; C135-G139 PolarHBondContact O-N 3.49Å; C135-K140 VanDerWaalsContact CB-O 3.32Å; C135-K140 WeakPolarHBondContact CB-O 3.46Å; C135-K140 PolarHBondContact N-O 3.39Å; C135-L148 HydrophobicContact CB-CD1 3.62Å; C135-H155 PolarHBondContact SG-NE2 3.2Å
136	N	87.3	Confident	85.6	Confident	149 Å²	149	79 Å²	79	80%	0.797	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.9	-179.1	-67.1	-13.5	0	0	0	112.8
137	E	81.9	Confident	86.1	Confident	125 Å²	125	77.3 Å²	77.3	58%	0.584	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-38.1	-176.8	-67.1	-176	-136.8	0	0	114.4	C135 H155	C135-E137 VanDerWaalsContact C-N 3.3Å; C135-E137 PolarHBondContact O-N 3Å; E137-H155 VanDerWaalsContact CB-CE1 3.42Å; E137-H155 WeakPolarHBondContact CB-CE1 3.37Å; E137-H155 WeakPolarHBondContact OE2-CB 3.41Å; E137-H155 IonicContact OE2-CE1 3.09Å; E137-H155 IonicContact OE2-CG 3.43Å; E137-H155 IonicContact OE2-ND1 3.06Å; E137-H155 PolarHBondContact OE2-ND1 3.35Å
138	C	86.4	Confident	86.5	Confident	53 Å²	53	74.5 Å²	74.5	36%	0.358	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	2.3	177.9	67	0	0	0	0	114.6	K140 H151 H155	C138-K140 PolarHBondContact O-N 3.37Å; C138-K140 VanDerWaalsContact O-N 3.1Å; C138-K140 VanDerWaalsContact SG-CG 3.57Å; C138-H151 PolarHBondContact SG-NE2 3.03Å; C138-H155 PolarHBondContact SG-NE2 2.98Å
139	G	85.3	Confident	86.7	Confident	37 Å²	37	77 Å²	77	38%	0.381	40%	0.403	S	S	.	.			trans	70.5	-0.8	-178.5	0	0	0	0	0	115.4	C135 S141	C135-G139 WeakPolarHBondContact O-CA 3.42Å; C135-G139 PolarHBondContact O-N 3.49Å; G139-S141 PolarHBondContact O-N 3.33Å
140	K	86.3	Confident	87	Confident	125 Å²	125	76.8 Å²	76.8	54%	0.543	39%	0.392	S	S	.	.			trans	-69.8	131.1	-179.6	-71.8	178.8	-176	169.9	0	111.1	C135 C138 F142	C135-K140 VanDerWaalsContact CB-O 3.32Å; C135-K140 WeakPolarHBondContact CB-O 3.46Å; C135-K140 PolarHBondContact N-O 3.39Å; C138-K140 PolarHBondContact O-N 3.37Å; C138-K140 VanDerWaalsContact O-N 3.1Å; C138-K140 VanDerWaalsContact SG-CG 3.57Å; K140-F142 HydrophobicContact CB-CE2 4.06Å; K140-F142 HydrophobicContact CB-CZ 4.14Å; K140-F142 WeakPolarHBondContact O-CE2 3.48Å
141	S	87.6	Confident	87.2	Confident	41 Å²	41	70.9 Å²	70.9	29%	0.287	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	150.3	177.5	-51.3	0	0	0	0	113	K131 Y133 K134 G139	K131-S141 WeakPolarHBondContact CD-O 3.48Å; K131-S141 VanDerWaalsContact O-CB 3.29Å; K131-S141 WeakPolarHBondContact O-CB 3.31Å; Y133-S141 CarbonylContact O-C 3.59Å; Y133-S141 VanDerWaalsContact O-CA 3.32Å; Y133-S141 WeakPolarHBondContact O-CA 3.39Å; K134-S141 WeakPolarHBondContact CB-OG 3.42Å; K134-S141 WeakPolarHBondContact CG-OG 3.35Å; G139-S141 PolarHBondContact O-N 3.33Å
142	F	87.5	Confident	87.1	Confident	42 Å²	42	68.8 Å²	68.8	18%	0.184	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.4	-177.6	-57.9	-90.1	0	0	0	111.7	K131 Y133 K140 N147 L148 H151	K131-F142 CarbonylContact C-O 3.42Å; K131-F142 WeakPolarHBondContact CA-O 3.35Å; Y133-F142 WeakPolarHBondContact CD2-O 3.42Å; Y133-F142 PolarHBondContact N-O 3.13Å; Y133-F142 PolarHBondContact O-N 2.9Å; K140-F142 HydrophobicContact CB-CE2 4.06Å; K140-F142 HydrophobicContact CB-CZ 4.14Å; K140-F142 WeakPolarHBondContact O-CE2 3.48Å; F142-N147 HydrophobicContact CB-CB 4.18Å; F142-N147 HydrophobicContact CD1-CB 3.97Å; F142-N147 HydrophobicContact CG-CB 4.3Å; F142-L148 HydrophobicContact CB-CB 4.3Å; F142-L148 HydrophobicContact CD2-CB 3.77Å; F142-L148 HydrophobicContact CD2-CD1 3.58Å; F142-L148 HydrophobicContact CD2-CG 4.28Å; F142-L148 HydrophobicContact CE2-CD1 3.71Å; F142-L148 HydrophobicContact CG-CB 4.22Å; F142-H151 HydrophobicContact CE1-CB 3.95Å; F142-H151 HydrophobicContact CE2-CB 3.78Å; F142-H151 AromaticContact CE2-CD2 3.38Å; F142-H151 WeakPolarHBondContact CE2-CD2 3.41Å; F142-H151 AromaticContact CE2-CG 3.52Å; F142-H151 HydrophobicContact CZ-CB 3.4Å; F142-H151 AromaticContact CZ-CD2 3.51Å; F142-H151 AromaticContact CZ-CG 3.16Å; F142-H151 AromaticContact CZ-ND1 3.56Å
143	T	86.3	Confident	87.3	Confident	18 Å²	18	68.7 Å²	68.7	11%	0.11	35%	0.354	C	S	.	.	S	Bend	trans	-79.1	-19.1	178.4	54.2	0	0	0	0	113.5	R125 L126 K131	R125-T143 HydrophobicContact CB-CG2 3.83Å; R125-T143 PolarHBondContact NH1-O 3.44Å; L126-T143 HydrophobicContact CD2-CG2 4.18Å; K131-T143 HydrophobicContact CG-CG2 3.81Å
144	K	86.8	Confident	86.9	Confident	92 Å²	92	70.3 Å²	70.3	40%	0.4	37%	0.368	S	S	.	.	S	Bend	trans	-131.8	139.1	179.4	-67.5	-178.2	178.4	-178.8	0	110.3	I122 S146 N147 L148	I122-K144 HydrophobicContact CG2-CD 4.13Å; I122-K144 HydrophobicContact CG2-CG 3.7Å; K144-S146 VanDerWaalsContact C-N 3.31Å; K144-S146 PolarHBondContact O-N 3.49Å; K144-N147 WeakPolarHBondContact O-CB 3.1Å; K144-N147 PolarHBondContact O-N 3.37Å; K144-N147 VanDerWaalsContact O-N 3.16Å; K144-L148 PolarHBondContact O-N 3.31Å
145	S	88.2	Confident	86.8	Confident	66 Å²	66	67.3 Å²	67.3	46%	0.462	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-38.4	177.2	175.8	0	0	0	0	112.5	Y133 N147 L148 K149	Y133-S145 VanDerWaalsContact CE2-N 3.33Å; S145-N147 PolarHBondContact O-N 3.14Å; S145-L148 WeakPolarHBondContact O-CB 3.49Å; S145-L148 PolarHBondContact O-N 3.31Å; S145-K149 PolarHBondContact O-N 3.13Å
146	S	86.9	Confident	86.6	Confident	71 Å²	71	71.9 Å²	71.9	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-58.7	-34.9	176.2	57.1	0	0	0	0	113.3	K144 K149 V150	K144-S146 VanDerWaalsContact C-N 3.31Å; K144-S146 PolarHBondContact O-N 3.49Å; S146-K149 PolarHBondContact O-N 3.29Å; S146-V150 WeakPolarHBondContact O-CG2 3.46Å; S146-V150 PolarHBondContact O-N 2.97Å; S146-V150 VanDerWaalsContact O-N 3.07Å
147	N	88.2	Confident	86.4	Confident	78 Å²	78	67 Å²	67	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-71.3	-38.1	176.5	-69.2	-4.3	0	0	0	111.6	F142 K144 S145 V150 H151	F142-N147 HydrophobicContact CB-CB 4.18Å; F142-N147 HydrophobicContact CD1-CB 3.97Å; F142-N147 HydrophobicContact CG-CB 4.3Å; K144-N147 WeakPolarHBondContact O-CB 3.1Å; K144-N147 PolarHBondContact O-N 3.37Å; K144-N147 VanDerWaalsContact O-N 3.16Å; S145-N147 PolarHBondContact O-N 3.14Å; N147-V150 PolarHBondContact O-N 2.84Å; N147-H151 VanDerWaalsContact O-CB 3.3Å; N147-H151 WeakPolarHBondContact O-CB 3.35Å; N147-H151 PolarHBondContact O-N 3.21Å
148	L	89.1	Confident	86.6	Confident	20 Å²	20	64.7 Å²	64.7	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-44.9	172.3	175.7	64.3	0	0	0	110.7	C135 F142 K144 S145 V150 H151 H152	C135-L148 HydrophobicContact CB-CD1 3.62Å; F142-L148 HydrophobicContact CB-CB 4.3Å; F142-L148 HydrophobicContact CD2-CB 3.77Å; F142-L148 HydrophobicContact CD2-CD1 3.58Å; F142-L148 HydrophobicContact CD2-CG 4.28Å; F142-L148 HydrophobicContact CE2-CD1 3.71Å; F142-L148 HydrophobicContact CG-CB 4.22Å; K144-L148 PolarHBondContact O-N 3.31Å; S145-L148 WeakPolarHBondContact O-CB 3.49Å; S145-L148 PolarHBondContact O-N 3.31Å; L148-V150 VanDerWaalsContact C-N 3.33Å; L148-V150 PolarHBondContact O-N 3.08Å; L148-H151 CarbonylContact O-C 3.51Å; L148-H151 WeakPolarHBondContact O-CA 3.41Å; L148-H151 WeakPolarHBondContact O-CB 3.22Å; L148-H151 PolarHBondContact O-N 3.13Å; L148-H152 WeakPolarHBondContact CD1-NE2 3.42Å; L148-H152 PolarHBondContact O-CD2 3.46Å; L148-H152 VanDerWaalsContact O-CD2 3.25Å; L148-H152 PolarHBondContact O-N 3.21Å
149	K	88.5	Confident	86.7	Confident	148 Å²	148	67.6 Å²	67.6	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-57.8	-44.6	177.1	-173.9	173.1	-174.4	171.5	0	112.3	S145 S146 H151 H152	S145-K149 PolarHBondContact O-N 3.13Å; S146-K149 PolarHBondContact O-N 3.29Å; K149-H151 VanDerWaalsContact C-N 3.3Å; K149-H152 PolarHBondContact O-N 3.4Å
150	V	86.6	Confident	86.9	Confident	41 Å²	41	68.8 Å²	68.8	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-68.6	-32	175.6	174.3	0	0	0	0	111.6	S146 N147 L148 R153 Q172	S146-V150 WeakPolarHBondContact O-CG2 3.46Å; S146-V150 PolarHBondContact O-N 2.97Å; S146-V150 VanDerWaalsContact O-N 3.07Å; N147-V150 PolarHBondContact O-N 2.84Å; L148-V150 VanDerWaalsContact C-N 3.33Å; L148-V150 PolarHBondContact O-N 3.08Å; V150-R153 WeakPolarHBondContact O-CB 3.48Å; V150-R153 PolarHBondContact O-N 2.87Å; V150-Q172 HydrophobicContact CG1-CG 3.68Å
151	H	87.8	Confident	87.1	Confident	17 Å²	17	66.6 Å²	66.6	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-69	-38.6	175.1	168.9	72	0	0	0	113.2	C138 F142 N147 L148 K149 R153 L154 H155	C138-H151 PolarHBondContact SG-NE2 3.03Å; F142-H151 HydrophobicContact CE1-CB 3.95Å; F142-H151 HydrophobicContact CE2-CB 3.78Å; F142-H151 AromaticContact CE2-CD2 3.38Å; F142-H151 WeakPolarHBondContact CE2-CD2 3.41Å; F142-H151 AromaticContact CE2-CG 3.52Å; F142-H151 HydrophobicContact CZ-CB 3.4Å; F142-H151 AromaticContact CZ-CD2 3.51Å; F142-H151 AromaticContact CZ-CG 3.16Å; F142-H151 AromaticContact CZ-ND1 3.56Å; N147-H151 VanDerWaalsContact O-CB 3.3Å; N147-H151 WeakPolarHBondContact O-CB 3.35Å; N147-H151 PolarHBondContact O-N 3.21Å; L148-H151 CarbonylContact O-C 3.51Å; L148-H151 WeakPolarHBondContact O-CA 3.41Å; L148-H151 WeakPolarHBondContact O-CB 3.22Å; L148-H151 PolarHBondContact O-N 3.13Å; K149-H151 VanDerWaalsContact C-N 3.3Å; H151-R153 PolarHBondContact O-N 3.38Å; H151-R153 VanDerWaalsContact O-N 3.12Å; H151-L154 VanDerWaalsContact O-CB 3.26Å; H151-L154 WeakPolarHBondContact O-CB 3.34Å; H151-L154 WeakPolarHBondContact O-CG 3.41Å; H151-L154 PolarHBondContact O-N 3.19Å; H151-H155 AromaticContact CE1-NE2 3.85Å; H151-H155 AromaticContact NE2-CD2 3.7Å; H151-H155 AromaticContact NE2-NE2 3.41Å; H151-H155 PolarHBondContact NE2-NE2 3.13Å
152	H	86.2	Confident	87.2	Confident	64 Å²	64	70.5 Å²	70.5	30%	0.296	37%	0.369	S	S	.	.	H	α-helix	trans	-56.2	-27.9	175.7	-82.6	-68.6	0	0	0	113	L148 K149 L154 H155 T156	L148-H152 WeakPolarHBondContact CD1-NE2 3.42Å; L148-H152 PolarHBondContact O-CD2 3.46Å; L148-H152 VanDerWaalsContact O-CD2 3.25Å; L148-H152 PolarHBondContact O-N 3.21Å; K149-H152 PolarHBondContact O-N 3.4Å; H152-L154 PolarHBondContact O-N 2.76Å; H152-L154 VanDerWaalsContact O-N 3.14Å; H152-H155 WeakPolarHBondContact O-CB 3.11Å; H152-H155 PolarHBondContact O-N 3.3Å; H152-T156 PolarHBondContact O-N 3.37Å; H152-T156 VanDerWaalsContact O-N 3.11Å; H152-T156 PolarHBondContact O-OG1 2.97Å
153	R	88.5	Confident	87.4	Confident	46 Å²	46	68.6 Å²	68.6	17%	0.174	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.8	172.8	-64.8	-179.2	-178.4	162.6	0.3	114	V150 H151 H155 G157 D158 T171	V150-R153 WeakPolarHBondContact O-CB 3.48Å; V150-R153 PolarHBondContact O-N 2.87Å; H151-R153 PolarHBondContact O-N 3.38Å; H151-R153 VanDerWaalsContact O-N 3.12Å; R153-H155 VanDerWaalsContact C-N 3.34Å; R153-G157 CarbonylContact O-C 3.42Å; R153-G157 PolarHBondContact O-N 3.37Å; R153-D158 WeakPolarHBondContact CB-O 3.31Å; R153-D158 PolarHBondContact O-N 3.12Å; R153-T171 HydrophobicContact CB-CG2 4.06Å; R153-T171 WeakPolarHBondContact CD-O 3.42Å; R153-T171 PolarHBondContact NH1-O 2.93Å
154	L	82.5	Confident	87.5	Confident	117 Å²	117	75.1 Å²	75.1	61%	0.613	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.1	174.2	-61.5	177.1	0	0	0	112.2	H151 H152 T171	H151-L154 VanDerWaalsContact O-CB 3.26Å; H151-L154 WeakPolarHBondContact O-CB 3.34Å; H151-L154 WeakPolarHBondContact O-CG 3.41Å; H151-L154 PolarHBondContact O-N 3.19Å; H152-L154 PolarHBondContact O-N 2.76Å; H152-L154 VanDerWaalsContact O-N 3.14Å; L154-T171 HydrophobicContact CD2-CG2 4.4Å
155	H	84.8	Confident	87.3	Confident	63 Å²	63	77 Å²	77	29%	0.292	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-49.9	179.7	-78.2	-77.3	0	0	0	111.7	C135 E137 C138 H151 H152 R153 G157	C135-H155 PolarHBondContact SG-NE2 3.2Å; E137-H155 VanDerWaalsContact CB-CE1 3.42Å; E137-H155 WeakPolarHBondContact CB-CE1 3.37Å; E137-H155 WeakPolarHBondContact OE2-CB 3.41Å; E137-H155 IonicContact OE2-CE1 3.09Å; E137-H155 IonicContact OE2-CG 3.43Å; E137-H155 IonicContact OE2-ND1 3.06Å; E137-H155 PolarHBondContact OE2-ND1 3.35Å; C138-H155 PolarHBondContact SG-NE2 2.98Å; H151-H155 AromaticContact CE1-NE2 3.85Å; H151-H155 AromaticContact NE2-CD2 3.7Å; H151-H155 AromaticContact NE2-NE2 3.41Å; H151-H155 PolarHBondContact NE2-NE2 3.13Å; H152-H155 WeakPolarHBondContact O-CB 3.11Å; H152-H155 PolarHBondContact O-N 3.3Å; R153-H155 VanDerWaalsContact C-N 3.34Å; H155-G157 PolarHBondContact O-N 3.31Å
156	T	86	Confident	87.3	Confident	97 Å²	97	76.3 Å²	76.3	60%	0.595	40%	0.399	S	S	*	.	S	Bend	trans	-71.5	-11.5	178.7	62.1	0	0	0	0	113.2	H152 D158	H152-T156 PolarHBondContact O-N 3.37Å; H152-T156 VanDerWaalsContact O-N 3.11Å; H152-T156 PolarHBondContact O-OG1 2.97Å; T156-D158 PolarHBondContact O-N 3.49Å; T156-D158 VanDerWaalsContact O-N 3.16Å; T156-D158 WeakPolarHBondContact OG1-CB 3.3Å; T156-D158 PolarHBondContact OG1-N 3.29Å
157	G	82.9	Confident	87.3	Confident	46 Å²	46	74.6 Å²	74.6	47%	0.474	39%	0.393	S	S	.	.			trans	68.1	4.2	-170.3	0	0	0	0	0	113.7	R153 H155 K159	R153-G157 CarbonylContact O-C 3.42Å; R153-G157 PolarHBondContact O-N 3.37Å; H155-G157 PolarHBondContact O-N 3.31Å; G157-K159 WeakPolarHBondContact O-CG 3.41Å; G157-K159 PolarHBondContact O-N 3.46Å
158	D	85.7	Confident	87.4	Confident	77 Å²	77	76.9 Å²	76.9	41%	0.412	40%	0.399	S	S	.	.			trans	-63.5	118.4	-175.9	178.9	25.7	0	0	0	111	R153 T156 P160	R153-D158 WeakPolarHBondContact CB-O 3.31Å; R153-D158 PolarHBondContact O-N 3.12Å; T156-D158 PolarHBondContact O-N 3.49Å; T156-D158 VanDerWaalsContact O-N 3.16Å; T156-D158 WeakPolarHBondContact OG1-CB 3.3Å; T156-D158 PolarHBondContact OG1-N 3.29Å; D158-P160 WeakPolarHBondContact OD1-CD 3.13Å; D158-P160 WeakPolarHBondContact OD1-CG 3.48Å
159	K	89.2	Confident	87.4	Confident	113 Å²	113	78 Å²	78	49%	0.491	41%	0.409	S	S	.	.			trans	-128.5	79.6	-179.2	-71.1	166.5	-177.2	-179.5	0	108.4	G157 Y161 S169 F170 T171	G157-K159 WeakPolarHBondContact O-CG 3.41Å; G157-K159 PolarHBondContact O-N 3.46Å; K159-Y161 PolarHBondContact O-N 2.88Å; K159-Y161 VanDerWaalsContact O-N 3.15Å; K159-S169 VanDerWaalsContact CB-CB 3.48Å; K159-S169 WeakPolarHBondContact CD-O 3.4Å; K159-S169 VanDerWaalsContact O-CB 3.26Å; K159-S169 WeakPolarHBondContact O-CB 3.39Å; K159-F170 CarbonylContact C-O 3.56Å; K159-F170 WeakPolarHBondContact CA-O 3.29Å; K159-T171 HydrophobicContact CG-CG2 3.84Å
160	P	88.4	Confident	87.5	Confident	63 Å²	63	73 Å²	73	41%	0.409	39%	0.387	S	S	.	.			trans	-64.1	-23.6	-172.6	-23.5	33.6	0	0	0	113.9	D158 K162	D158-P160 WeakPolarHBondContact OD1-CD 3.13Å; D158-P160 WeakPolarHBondContact OD1-CG 3.48Å; P160-K162 PolarHBondContact O-N 3.35Å
161	Y	91.7	Very high	87.5	Confident	78 Å²	78	72 Å²	72	31%	0.306	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	91.1	-169.3	-51.5	-69	0	0	0	110.6	K159 S169 F170 V173	K159-Y161 PolarHBondContact O-N 2.88Å; K159-Y161 VanDerWaalsContact O-N 3.15Å; Y161-S169 CarbonylContact O-C 3.54Å; Y161-S169 WeakPolarHBondContact O-CA 3.34Å; Y161-F170 WeakPolarHBondContact CD2-O 3.15Å; Y161-F170 PolarHBondContact N-O 2.82Å; Y161-F170 VanDerWaalsContact N-O 3.14Å; Y161-F170 PolarHBondContact O-N 3.05Å; Y161-V173 HydrophobicContact CD1-CB 4.49Å; Y161-V173 HydrophobicContact CD1-CG2 3.41Å; Y161-V173 VanDerWaalsContact CD1-CG2 3.41Å; Y161-V173 HydrophobicContact CD2-CG2 4.18Å; Y161-V173 HydrophobicContact CE1-CG2 3.15Å; Y161-V173 HydrophobicContact CE2-CG2 3.96Å; Y161-V173 HydrophobicContact CG-CG2 3.91Å; Y161-V173 VanDerWaalsContact CZ-CG2 3.44Å
162	K	89.3	Confident	87.6	Confident	124 Å²	124	73.8 Å²	73.8	54%	0.539	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.5	179.7	-170.1	175.3	178.2	-174.9	0	111.7	P160	P160-K162 PolarHBondContact O-N 3.35Å
163	C	91.1	Very high	87.8	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	40%	0.399	C	S	.	.			trans	-80.1	122.4	166.2	173.9	0	0	0	0	109.1	E165 G167 K168 F170 L176 H179 H183	C163-E165 VanDerWaalsContact C-N 3.34Å; C163-E165 PolarHBondContact O-N 3.2Å; C163-G167 WeakPolarHBondContact O-CA 3.32Å; C163-G167 PolarHBondContact O-N 3.13Å; C163-K168 VanDerWaalsContact CB-O 3.29Å; C163-K168 WeakPolarHBondContact CB-O 3.4Å; C163-K168 PolarHBondContact N-O 2.79Å; C163-F170 HydrophobicContact CB-CE2 4.38Å; C163-L176 HydrophobicContact CB-CD1 3.61Å; C163-H179 PolarHBondContact SG-NE2 3.44Å; C163-H183 PolarHBondContact SG-NE2 3.07Å
164	N	88.7	Confident	87.8	Confident	155 Å²	155	75.2 Å²	75.2	83%	0.829	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-29.6	-178.2	-65.8	-12.3	0	0	0	113
165	E	83.2	Confident	88.1	Confident	131 Å²	131	75.5 Å²	75.5	61%	0.612	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-33.7	-175.5	-67.7	170.3	144.7	0	0	113.9	C163 H183	C163-E165 VanDerWaalsContact C-N 3.34Å; C163-E165 PolarHBondContact O-N 3.2Å; E165-H183 WeakPolarHBondContact OE2-CB 3.46Å; E165-H183 IonicContact OE2-CD2 3.29Å; E165-H183 PolarHBondContact OE2-CD2 3.06Å; E165-H183 IonicContact OE2-CG 3.9Å; E165-H183 IonicContact OE2-NE2 3.85Å
166	C	87.9	Confident	88.3	Confident	52 Å²	52	73.5 Å²	73.5	35%	0.351	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	3.3	-178.8	73.2	0	0	0	0	114.6	K168 H179 H183	C166-K168 PolarHBondContact O-N 2.95Å; C166-H179 PolarHBondContact SG-NE2 3.22Å; C166-H183 PolarHBondContact SG-NE2 3.17Å
167	G	87.5	Confident	88.5	Confident	35 Å²	35	75.4 Å²	75.4	36%	0.361	40%	0.395	S	S	.	.			trans	70.2	-2.9	-180	0	0	0	0	0	115.9	C163 S169	C163-G167 WeakPolarHBondContact O-CA 3.32Å; C163-G167 PolarHBondContact O-N 3.13Å; G167-S169 PolarHBondContact O-N 2.85Å
168	K	89	Confident	88.7	Confident	127 Å²	127	75 Å²	75	55%	0.552	38%	0.383	S	S	*	.			trans	-68.1	131.2	-179.8	-71.1	179.6	-176.1	171	0	111.3	C163 C166 F170	C163-K168 VanDerWaalsContact CB-O 3.29Å; C163-K168 WeakPolarHBondContact CB-O 3.4Å; C163-K168 PolarHBondContact N-O 2.79Å; C166-K168 PolarHBondContact O-N 2.95Å; K168-F170 HydrophobicContact CB-CE2 4.02Å; K168-F170 HydrophobicContact CB-CZ 4.12Å; K168-F170 WeakPolarHBondContact O-CE2 3.47Å
169	S	89.8	Confident	88.8	Confident	43 Å²	43	72.1 Å²	72.1	30%	0.301	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.3	178.1	-51.3	0	0	0	0	113.3	K159 Y161 G167	K159-S169 VanDerWaalsContact CB-CB 3.48Å; K159-S169 WeakPolarHBondContact CD-O 3.4Å; K159-S169 VanDerWaalsContact O-CB 3.26Å; K159-S169 WeakPolarHBondContact O-CB 3.39Å; Y161-S169 CarbonylContact O-C 3.54Å; Y161-S169 WeakPolarHBondContact O-CA 3.34Å; G167-S169 PolarHBondContact O-N 2.85Å
170	F	90	Very high	88.8	Confident	43 Å²	43	70.6 Å²	70.6	19%	0.189	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.4	-176	-59.1	-90.1	0	0	0	111.4	K159 Y161 C163 K168 Q172 L176 H179	K159-F170 CarbonylContact C-O 3.56Å; K159-F170 WeakPolarHBondContact CA-O 3.29Å; Y161-F170 WeakPolarHBondContact CD2-O 3.15Å; Y161-F170 PolarHBondContact N-O 2.82Å; Y161-F170 VanDerWaalsContact N-O 3.14Å; Y161-F170 PolarHBondContact O-N 3.05Å; C163-F170 HydrophobicContact CB-CE2 4.38Å; K168-F170 HydrophobicContact CB-CE2 4.02Å; K168-F170 HydrophobicContact CB-CZ 4.12Å; K168-F170 WeakPolarHBondContact O-CE2 3.47Å; F170-Q172 VanDerWaalsContact C-N 3.33Å; F170-L176 HydrophobicContact CB-CB 4.28Å; F170-L176 HydrophobicContact CD2-CB 3.83Å; F170-L176 HydrophobicContact CD2-CD1 3.68Å; F170-L176 HydrophobicContact CD2-CG 4.36Å; F170-L176 HydrophobicContact CE2-CD1 3.84Å; F170-L176 HydrophobicContact CG-CB 4.21Å; F170-H179 HydrophobicContact CE1-CB 3.87Å; F170-H179 HydrophobicContact CE2-CB 3.83Å; F170-H179 AromaticContact CE2-CD2 3.33Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.21Å; F170-H179 AromaticContact CE2-CG 3.56Å; F170-H179 HydrophobicContact CZ-CB 3.37Å; F170-H179 AromaticContact CZ-CD2 3.42Å; F170-H179 VanDerWaalsContact CZ-CD2 3.42Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.45Å; F170-H179 AromaticContact CZ-CG 3.14Å; F170-H179 AromaticContact CZ-ND1 3.65Å
171	T	88.4	Confident	88.8	Confident	19 Å²	19	69.9 Å²	69.9	12%	0.117	35%	0.351	C	S	.	.	S	Bend	trans	-78.4	-16.2	178.8	56.5	0	0	0	0	113.3	R153 L154 K159	R153-T171 HydrophobicContact CB-CG2 4.06Å; R153-T171 WeakPolarHBondContact CD-O 3.42Å; R153-T171 PolarHBondContact NH1-O 2.93Å; L154-T171 HydrophobicContact CD2-CG2 4.4Å; K159-T171 HydrophobicContact CG-CG2 3.84Å
172	Q	89.5	Confident	88.6	Confident	56 Å²	56	70.9 Å²	70.9	26%	0.262	36%	0.361	S	S	.	.	S	Bend	trans	-141	145	179.6	-61.3	-179.4	38.5	0	0	110.9	V150 F170 S174 Y175 L176	V150-Q172 HydrophobicContact CG1-CG 3.68Å; F170-Q172 VanDerWaalsContact C-N 3.33Å; Q172-S174 VanDerWaalsContact C-N 3.29Å; Q172-S174 PolarHBondContact O-N 3.1Å; Q172-Y175 HydrophobicContact CB-CD2 3.83Å; Q172-Y175 HydrophobicContact CB-CE2 4.16Å; Q172-Y175 HydrophobicContact CB-CG 4.34Å; Q172-Y175 HydrophobicContact CG-CD2 4.21Å; Q172-Y175 HydrophobicContact CG-CE2 4.08Å; Q172-Y175 PolarHBondContact O-N 2.86Å; Q172-L176 PolarHBondContact O-N 3.31Å
173	V	89.6	Confident	88.5	Confident	80 Å²	80	68.3 Å²	68.3	49%	0.485	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-39.9	177.4	-179.7	0	0	0	0	112	Y161 Y175 L176 K177	Y161-V173 HydrophobicContact CD1-CB 4.49Å; Y161-V173 HydrophobicContact CD1-CG2 3.41Å; Y161-V173 VanDerWaalsContact CD1-CG2 3.41Å; Y161-V173 HydrophobicContact CD2-CG2 4.18Å; Y161-V173 HydrophobicContact CE1-CG2 3.15Å; Y161-V173 HydrophobicContact CE2-CG2 3.96Å; Y161-V173 HydrophobicContact CG-CG2 3.91Å; Y161-V173 VanDerWaalsContact CZ-CG2 3.44Å; V173-Y175 VanDerWaalsContact C-N 3.25Å; V173-Y175 PolarHBondContact O-N 3.06Å; V173-L176 WeakPolarHBondContact O-CB 3.45Å; V173-L176 PolarHBondContact O-N 2.83Å; V173-L176 VanDerWaalsContact O-N 3.14Å; V173-K177 PolarHBondContact O-N 3.28Å
174	S	88	Confident	88.3	Confident	60 Å²	60	72 Å²	72	42%	0.42	37%	0.373	S	S	.	.	H	α-helix	trans	-58.6	-37.8	179.8	54.2	0	0	0	0	112.2	Q172 V178	Q172-S174 VanDerWaalsContact C-N 3.29Å; Q172-S174 PolarHBondContact O-N 3.1Å; S174-V178 VanDerWaalsContact O-CG2 3.31Å; S174-V178 WeakPolarHBondContact O-CG2 3.44Å; S174-V178 PolarHBondContact O-N 3.44Å; S174-V178 VanDerWaalsContact O-N 3.15Å
175	Y	89.4	Confident	88	Confident	123 Å²	123	66.6 Å²	66.6	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-71.9	-38.9	176.3	-60.4	-29.8	0	0	0	112.4	Q172 V173 V178 H179	Q172-Y175 HydrophobicContact CB-CD2 3.83Å; Q172-Y175 HydrophobicContact CB-CE2 4.16Å; Q172-Y175 HydrophobicContact CB-CG 4.34Å; Q172-Y175 HydrophobicContact CG-CD2 4.21Å; Q172-Y175 HydrophobicContact CG-CE2 4.08Å; Q172-Y175 PolarHBondContact O-N 2.86Å; V173-Y175 VanDerWaalsContact C-N 3.25Å; V173-Y175 PolarHBondContact O-N 3.06Å; Y175-V178 PolarHBondContact O-N 3.25Å; Y175-H179 WeakPolarHBondContact O-CB 3.36Å; Y175-H179 PolarHBondContact O-N 3.35Å
176	L	90.1	Very high	88.1	Confident	21 Å²	21	66 Å²	66	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-47.6	171.7	173.6	62.5	0	0	0	111	C163 F170 Q172 V173 V178 H179 Q180	C163-L176 HydrophobicContact CB-CD1 3.61Å; F170-L176 HydrophobicContact CB-CB 4.28Å; F170-L176 HydrophobicContact CD2-CB 3.83Å; F170-L176 HydrophobicContact CD2-CD1 3.68Å; F170-L176 HydrophobicContact CD2-CG 4.36Å; F170-L176 HydrophobicContact CE2-CD1 3.84Å; F170-L176 HydrophobicContact CG-CB 4.21Å; Q172-L176 PolarHBondContact O-N 3.31Å; V173-L176 WeakPolarHBondContact O-CB 3.45Å; V173-L176 PolarHBondContact O-N 2.83Å; V173-L176 VanDerWaalsContact O-N 3.14Å; L176-V178 VanDerWaalsContact C-N 3.28Å; L176-V178 PolarHBondContact O-N 2.73Å; L176-H179 CarbonylContact O-C 3.48Å; L176-H179 WeakPolarHBondContact O-CA 3.43Å; L176-H179 WeakPolarHBondContact O-CB 3.06Å; L176-H179 PolarHBondContact O-N 3.14Å; L176-Q180 HydrophobicContact CD1-CG 4.1Å; L176-Q180 HydrophobicContact CG-CG 4.39Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å; L176-Q180 PolarHBondContact O-N 3.32Å
177	K	88.7	Confident	88.1	Confident	136 Å²	136	68.2 Å²	68.2	59%	0.591	36%	0.355	S	S	*	.	H	α-helix	trans	-58.5	-40.4	179.9	-173.4	171.1	-174.8	171.2	0	112.2	V173	V173-K177 PolarHBondContact O-N 3.28Å
178	V	87.3	Confident	88.1	Confident	37 Å²	37	69.9 Å²	69.9	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-72.5	-33.6	176.1	176	0	0	0	0	111.7	S174 Y175 L176 R181 Q200	S174-V178 VanDerWaalsContact O-CG2 3.31Å; S174-V178 WeakPolarHBondContact O-CG2 3.44Å; S174-V178 PolarHBondContact O-N 3.44Å; S174-V178 VanDerWaalsContact O-N 3.15Å; Y175-V178 PolarHBondContact O-N 3.25Å; L176-V178 VanDerWaalsContact C-N 3.28Å; L176-V178 PolarHBondContact O-N 2.73Å; V178-R181 WeakPolarHBondContact O-CB 3.44Å; V178-Q200 HydrophobicContact CG1-CG 3.54Å
179	H	88.9	Confident	88.1	Confident	17 Å²	17	67.5 Å²	67.5	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-67.4	-40.8	174.7	165.6	69.5	0	0	0	112.9	C163 C166 F170 Y175 L176 R181 I182 H183	C163-H179 PolarHBondContact SG-NE2 3.44Å; C166-H179 PolarHBondContact SG-NE2 3.22Å; F170-H179 HydrophobicContact CE1-CB 3.87Å; F170-H179 HydrophobicContact CE2-CB 3.83Å; F170-H179 AromaticContact CE2-CD2 3.33Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.21Å; F170-H179 AromaticContact CE2-CG 3.56Å; F170-H179 HydrophobicContact CZ-CB 3.37Å; F170-H179 AromaticContact CZ-CD2 3.42Å; F170-H179 VanDerWaalsContact CZ-CD2 3.42Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.45Å; F170-H179 AromaticContact CZ-CG 3.14Å; F170-H179 AromaticContact CZ-ND1 3.65Å; Y175-H179 WeakPolarHBondContact O-CB 3.36Å; Y175-H179 PolarHBondContact O-N 3.35Å; L176-H179 CarbonylContact O-C 3.48Å; L176-H179 WeakPolarHBondContact O-CA 3.43Å; L176-H179 WeakPolarHBondContact O-CB 3.06Å; L176-H179 PolarHBondContact O-N 3.14Å; H179-R181 PolarHBondContact O-N 3.39Å; H179-R181 VanDerWaalsContact O-N 3.11Å; H179-I182 VanDerWaalsContact O-CB 3.24Å; H179-I182 WeakPolarHBondContact O-CB 3.05Å; H179-I182 WeakPolarHBondContact O-CG1 3.43Å; H179-I182 PolarHBondContact O-N 3.07Å; H179-H183 AromaticContact CE1-NE2 3.59Å; H179-H183 AromaticContact NE2-CD2 4Å; H179-H183 AromaticContact NE2-NE2 3.15Å; H179-H183 PolarHBondContact NE2-NE2 3.38Å; H179-H183 VanDerWaalsContact NE2-NE2 3.15Å
180	Q	88.3	Confident	87.9	Confident	82 Å²	82	72.2 Å²	72.2	38%	0.383	36%	0.363	S	S	.	.	H	α-helix	trans	-56.5	-27.8	178.5	-76.5	173.6	-46.1	0	0	112.7	L176 I182 H183 T184	L176-Q180 HydrophobicContact CD1-CG 4.1Å; L176-Q180 HydrophobicContact CG-CG 4.39Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å; L176-Q180 PolarHBondContact O-N 3.32Å; Q180-I182 PolarHBondContact O-N 3.46Å; Q180-I182 VanDerWaalsContact O-N 3.1Å; Q180-H183 PolarHBondContact O-N 2.98Å; Q180-T184 PolarHBondContact O-N 2.81Å
181	R	89	Confident	87.8	Confident	47 Å²	47	70.8 Å²	70.8	18%	0.177	36%	0.358	C	S	.	.	H	α-helix	trans	-59.3	-22.6	173.6	-59.3	-179.8	176.8	171.9	-4.6	113.7	V178 H179 H183 T184 G185 E186 F199	V178-R181 WeakPolarHBondContact O-CB 3.44Å; H179-R181 PolarHBondContact O-N 3.39Å; H179-R181 VanDerWaalsContact O-N 3.11Å; R181-H183 VanDerWaalsContact C-N 3.3Å; R181-T184 WeakPolarHBondContact CA-OG1 3.46Å; R181-G185 WeakPolarHBondContact O-CA 3.46Å; R181-G185 PolarHBondContact O-N 3.1Å; R181-E186 PolarHBondContact O-N 2.84Å; R181-F199 HydrophobicContact CB-CD1 3.62Å; R181-F199 HydrophobicContact CB-CE1 4.2Å; R181-F199 PolarHBondContact NH1-O 3.1Å; R181-F199 WeakPolarHBondContact O-CE1 3.32Å
182	I	86.3	Confident	87.7	Confident	99 Å²	99	77.9 Å²	77.9	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-34.7	175.8	-61.4	175.1	0	0	0	110.7	H179 Q180	H179-I182 VanDerWaalsContact O-CB 3.24Å; H179-I182 WeakPolarHBondContact O-CB 3.05Å; H179-I182 WeakPolarHBondContact O-CG1 3.43Å; H179-I182 PolarHBondContact O-N 3.07Å; Q180-I182 PolarHBondContact O-N 3.46Å; Q180-I182 VanDerWaalsContact O-N 3.1Å
183	H	87.4	Confident	87.3	Confident	70 Å²	70	80.4 Å²	80.4	32%	0.324	41%	0.407	S	S	.	.	H	α-helix	trans	-82.8	-41.3	-180	-55.2	-54.1	0	0	0	111.7	C163 E165 C166 H179 Q180 R181 G185	C163-H183 PolarHBondContact SG-NE2 3.07Å; E165-H183 WeakPolarHBondContact OE2-CB 3.46Å; E165-H183 IonicContact OE2-CD2 3.29Å; E165-H183 PolarHBondContact OE2-CD2 3.06Å; E165-H183 IonicContact OE2-CG 3.9Å; E165-H183 IonicContact OE2-NE2 3.85Å; C166-H183 PolarHBondContact SG-NE2 3.17Å; H179-H183 AromaticContact CE1-NE2 3.59Å; H179-H183 AromaticContact NE2-CD2 4Å; H179-H183 AromaticContact NE2-NE2 3.15Å; H179-H183 PolarHBondContact NE2-NE2 3.38Å; H179-H183 VanDerWaalsContact NE2-NE2 3.15Å; Q180-H183 PolarHBondContact O-N 2.98Å; R181-H183 VanDerWaalsContact C-N 3.3Å; H183-G185 PolarHBondContact O-N 3.02Å
184	T	87	Confident	87.2	Confident	79 Å²	79	78.3 Å²	78.3	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-70.9	-17.3	175	66.8	0	0	0	0	113	Q180 R181 E186	Q180-T184 PolarHBondContact O-N 2.81Å; R181-T184 WeakPolarHBondContact CA-OG1 3.46Å; T184-E186 PolarHBondContact O-N 3.4Å; T184-E186 VanDerWaalsContact O-N 3.14Å; T184-E186 WeakPolarHBondContact OG1-CB 3.29Å; T184-E186 WeakPolarHBondContact OG1-CG 3.38Å; T184-E186 PolarHBondContact OG1-N 3.07Å
185	G	84	Confident	87.1	Confident	42 Å²	42	84.9 Å²	84.9	43%	0.433	42%	0.42	S	S	.	.			trans	71.2	-2.3	-173.8	0	0	0	0	0	114.2	R181 H183 K187	R181-G185 WeakPolarHBondContact O-CA 3.46Å; R181-G185 PolarHBondContact O-N 3.1Å; H183-G185 PolarHBondContact O-N 3.02Å; G185-K187 PolarHBondContact O-N 3.38Å
186	E	84.9	Confident	87	Confident	119 Å²	119	85 Å²	85	56%	0.556	42%	0.423	S	S	*	.			trans	-63	122	-176.6	-72.3	-178	162.6	0	0	111.6	R181 T184 P188 F199	R181-E186 PolarHBondContact O-N 2.84Å; T184-E186 PolarHBondContact O-N 3.4Å; T184-E186 VanDerWaalsContact O-N 3.14Å; T184-E186 WeakPolarHBondContact OG1-CB 3.29Å; T184-E186 WeakPolarHBondContact OG1-CG 3.38Å; T184-E186 PolarHBondContact OG1-N 3.07Å; E186-P188 WeakPolarHBondContact O-CD 3.3Å; E186-F199 WeakPolarHBondContact O-CD1 3.36Å; E186-F199 VanDerWaalsContact O-CE1 3.29Å; E186-F199 WeakPolarHBondContact O-CE1 3.31Å
187	K	87.2	Confident	87	Confident	97 Å²	97	85.5 Å²	85.5	42%	0.422	43%	0.428	S	S	.	.			trans	-120.3	80.2	177	-71.6	163.5	174.2	179.5	0	109.8	G185 Y189 S197 F198 F199	G185-K187 PolarHBondContact O-N 3.38Å; K187-Y189 PolarHBondContact O-N 3.34Å; K187-Y189 VanDerWaalsContact O-N 3.11Å; K187-S197 VanDerWaalsContact CB-CB 3.47Å; K187-S197 WeakPolarHBondContact CD-O 3.24Å; K187-F198 CarbonylContact C-O 3.51Å; K187-F199 HydrophobicContact CD-CE1 4.44Å; K187-F199 HydrophobicContact CD-CZ 4.28Å; K187-F199 VanDerWaalsContact CE-CZ 3.48Å; K187-F199 HydrophobicContact CG-CD1 3.81Å; K187-F199 HydrophobicContact CG-CD2 4.49Å; K187-F199 HydrophobicContact CG-CE1 3.54Å; K187-F199 HydrophobicContact CG-CE2 4.28Å; K187-F199 HydrophobicContact CG-CG 4.28Å; K187-F199 HydrophobicContact CG-CZ 3.82Å
188	P	87.2	Confident	86.9	Confident	70 Å²	70	81 Å²	81	46%	0.455	41%	0.409	S	S	.	.			trans	-63	-23.4	-170.5	-24.2	34.6	0	0	0	114.4	E186 K190	E186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-K190 PolarHBondContact O-N 3.3Å
189	Y	89.1	Confident	86.9	Confident	77 Å²	77	81.9 Å²	81.9	30%	0.302	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	90	-173.3	-52.8	-73.6	0	0	0	110	K187 S197 F198 Y201	K187-Y189 PolarHBondContact O-N 3.34Å; K187-Y189 VanDerWaalsContact O-N 3.11Å; Y189-S197 CarbonylContact O-C 3.54Å; Y189-S197 WeakPolarHBondContact O-CA 3.35Å; Y189-F198 WeakPolarHBondContact CD2-O 3.38Å; Y189-F198 PolarHBondContact N-O 3.28Å; Y189-F198 PolarHBondContact O-N 3.02Å; Y189-Y201 AromaticContact CD1-CD2 3.92Å; Y189-Y201 HydrophobicContact CD1-CD2 3.92Å; Y189-Y201 HydrophobicContact CD1-CG 4.37Å; Y189-Y201 HydrophobicContact CE1-CD2 4.33Å; Y189-Y201 HydrophobicContact CE1-CG 4.45Å; Y189-Y201 VanDerWaalsContact CE2-N 3.3Å
190	K	85.7	Confident	86.8	Confident	143 Å²	143	84.4 Å²	84.4	62%	0.622	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.7	177.2	-50.8	-163.4	175.9	174	0	110.8	P188 S197 L204	P188-K190 PolarHBondContact O-N 3.3Å; K190-S197 WeakPolarHBondContact CG-OG 3.44Å; K190-L204 WeakPolarHBondContact O-CD2 3.29Å
191	C	88	Confident	86.8	Confident	13 Å²	13	87.2 Å²	87.2	9%	0.088	43%	0.429	C	S	.	.			trans	-82.7	137.4	166.9	-174.5	0	0	0	0	108.8	C194 K196 L204	C191-C194 CarbonylContact C-O 3.6Å; C191-C194 WeakPolarHBondContact CB-O 3.46Å; C191-K196 WeakPolarHBondContact CB-O 3.2Å; C191-K196 PolarHBondContact N-O 3.1Å; C191-L204 HydrophobicContact CB-CD1 3.7Å
192	N	85.9	Confident	86.6	Confident	168 Å²	168	87.5 Å²	87.5	90%	0.898	44%	0.439	S	S	*	.	S	Bend	trans	-82.5	-20.5	179	-64	-4.1	0	0	0	112.2
193	E	81.6	Confident	86.7	Confident	108 Å²	108	86.7 Å²	86.7	51%	0.505	43%	0.433	S	S	.	.	S	Bend	trans	-95.3	-11.5	-179.3	-64.4	-179.1	-130.9	0	0	113.6	H208 H211	E193-H208 IonicContact OE1-CE1 3.95Å; E193-H208 PolarHBondContact OE1-CE1 2.92Å; E193-H208 IonicContact OE1-ND1 2.9Å; E193-H208 PolarHBondContact OE1-ND1 3.11Å; E193-H211 VanDerWaalsContact CB-CE1 3.5Å; E193-H211 WeakPolarHBondContact CB-CE1 3.45Å; E193-H211 WeakPolarHBondContact CB-ND1 3.45Å; E193-H211 WeakPolarHBondContact OE2-CB 3.47Å; E193-H211 IonicContact OE2-CE1 3.93Å; E193-H211 IonicContact OE2-CG 3.03Å; E193-H211 IonicContact OE2-ND1 2.91Å; E193-H211 PolarHBondContact OE2-ND1 3.32Å
194	C	87.6	Confident	86.8	Confident	37 Å²	37	84.4 Å²	84.4	25%	0.25	42%	0.423	C	S	.	.	S	Bend	trans	-152.6	161.8	170.6	74.3	0	0	0	0	111.4	C191 K196 H207 H211	C191-C194 CarbonylContact C-O 3.6Å; C191-C194 WeakPolarHBondContact CB-O 3.46Å; C194-K196 PolarHBondContact O-N 3.41Å; C194-H207 PolarHBondContact SG-NE2 2.8Å; C194-H211 PolarHBondContact SG-NE2 2.78Å; C194-H211 VanDerWaalsContact SG-NE2 3.42Å
195	E	85.6	Confident	86.7	Confident	197 Å²	197	86.5 Å²	86.5	92%	0.921	43%	0.425	S	S	*	.	S	Bend	trans	-66.4	3.9	-176.6	-60.5	174.5	-178.7	0	0	114.8
196	K	87.7	Confident	86.7	Confident	125 Å²	125	86.4 Å²	86.4	54%	0.543	41%	0.414	S	S	.	.			trans	-78.2	131.2	-176.7	-66.8	179.9	-177.5	171.2	0	111.4	C191 C194 F198	C191-K196 WeakPolarHBondContact CB-O 3.2Å; C191-K196 PolarHBondContact N-O 3.1Å; C194-K196 PolarHBondContact O-N 3.41Å; K196-F198 HydrophobicContact CB-CE2 3.97Å; K196-F198 HydrophobicContact CB-CZ 4.01Å
197	S	88.7	Confident	86.8	Confident	32 Å²	32	81.5 Å²	81.5	22%	0.224	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148	176.8	-53.1	0	0	0	0	111.2	K187 Y189 K190	K187-S197 VanDerWaalsContact CB-CB 3.47Å; K187-S197 WeakPolarHBondContact CD-O 3.24Å; Y189-S197 CarbonylContact O-C 3.54Å; Y189-S197 WeakPolarHBondContact O-CA 3.35Å; K190-S197 WeakPolarHBondContact CG-OG 3.44Å
198	F	87.9	Confident	86.7	Confident	43 Å²	43	80.7 Å²	80.7	19%	0.189	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.2	-173	-57.9	-90.7	0	0	0	112.7	K187 Y189 K196 Q200 H203 L204 H207	K187-F198 CarbonylContact C-O 3.51Å; Y189-F198 WeakPolarHBondContact CD2-O 3.38Å; Y189-F198 PolarHBondContact N-O 3.28Å; Y189-F198 PolarHBondContact O-N 3.02Å; K196-F198 HydrophobicContact CB-CE2 3.97Å; K196-F198 HydrophobicContact CB-CZ 4.01Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-Q200 PolarHBondContact O-N 3.35Å; F198-H203 HydrophobicContact CB-CB 4.17Å; F198-H203 HydrophobicContact CD1-CB 3.92Å; F198-H203 HydrophobicContact CG-CB 4.27Å; F198-L204 HydrophobicContact CB-CB 4.3Å; F198-L204 HydrophobicContact CD2-CB 3.76Å; F198-L204 HydrophobicContact CD2-CD1 3.65Å; F198-L204 HydrophobicContact CD2-CG 4.32Å; F198-L204 HydrophobicContact CE2-CD1 3.78Å; F198-L204 HydrophobicContact CG-CB 4.22Å; F198-H207 HydrophobicContact CE1-CB 3.95Å; F198-H207 HydrophobicContact CE2-CB 3.78Å; F198-H207 AromaticContact CE2-CD2 3.3Å; F198-H207 WeakPolarHBondContact CE2-CD2 3.39Å; F198-H207 AromaticContact CE2-CG 3.57Å; F198-H207 HydrophobicContact CZ-CB 3.36Å; F198-H207 AromaticContact CZ-CD2 3.4Å; F198-H207 VanDerWaalsContact CZ-CD2 3.4Å; F198-H207 WeakPolarHBondContact CZ-CD2 3.42Å; F198-H207 AromaticContact CZ-CG 3.19Å; F198-H207 AromaticContact CZ-ND1 3.77Å
199	F	86.8	Confident	86.7	Confident	55 Å²	55	79.6 Å²	79.6	24%	0.241	38%	0.376	C	S	.	.	S	Bend	trans	-73.1	-21.2	176.8	-62	-67.7	0	0	0	114.1	R181 E186 K187	R181-F199 HydrophobicContact CB-CD1 3.62Å; R181-F199 HydrophobicContact CB-CE1 4.2Å; R181-F199 PolarHBondContact NH1-O 3.1Å; R181-F199 WeakPolarHBondContact O-CE1 3.32Å; E186-F199 WeakPolarHBondContact O-CD1 3.36Å; E186-F199 VanDerWaalsContact O-CE1 3.29Å; E186-F199 WeakPolarHBondContact O-CE1 3.31Å; K187-F199 HydrophobicContact CD-CE1 4.44Å; K187-F199 HydrophobicContact CD-CZ 4.28Å; K187-F199 VanDerWaalsContact CE-CZ 3.48Å; K187-F199 HydrophobicContact CG-CD1 3.81Å; K187-F199 HydrophobicContact CG-CD2 4.49Å; K187-F199 HydrophobicContact CG-CE1 3.54Å; K187-F199 HydrophobicContact CG-CE2 4.28Å; K187-F199 HydrophobicContact CG-CG 4.28Å; K187-F199 HydrophobicContact CG-CZ 3.82Å
200	Q	87.6	Confident	86.3	Confident	70 Å²	70	81.4 Å²	81.4	33%	0.327	39%	0.39	S	S	.	.	S	Bend	trans	-137.8	141.2	-177.9	-64.2	-177.6	18.6	0	0	110.2	V178 F198 S202 H203 L204	V178-Q200 HydrophobicContact CG1-CG 3.54Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-Q200 PolarHBondContact O-N 3.35Å; Q200-S202 VanDerWaalsContact C-N 3.29Å; Q200-S202 PolarHBondContact O-N 3.18Å; Q200-S202 PolarHBondContact OE1-OG 3.47Å; Q200-H203 WeakPolarHBondContact O-CB 3.35Å; Q200-H203 PolarHBondContact O-N 2.82Å; Q200-H203 VanDerWaalsContact O-N 3.12Å; Q200-L204 PolarHBondContact O-N 3.32Å
201	Y	87.5	Confident	86.3	Confident	140 Å²	140	77.6 Å²	77.6	55%	0.549	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-37.3	178.6	-178.9	-109.6	0	0	0	112.8	Y189 H203 L204 K205	Y189-Y201 AromaticContact CD1-CD2 3.92Å; Y189-Y201 HydrophobicContact CD1-CD2 3.92Å; Y189-Y201 HydrophobicContact CD1-CG 4.37Å; Y189-Y201 HydrophobicContact CE1-CD2 4.33Å; Y189-Y201 HydrophobicContact CE1-CG 4.45Å; Y189-Y201 VanDerWaalsContact CE2-N 3.3Å; Y201-H203 PolarHBondContact O-N 3.12Å; Y201-L204 HydrophobicContact CD2-CD2 4.4Å; Y201-L204 WeakPolarHBondContact O-CB 3.22Å; Y201-L204 PolarHBondContact O-N 2.7Å; Y201-L204 VanDerWaalsContact O-N 3.17Å; Y201-K205 PolarHBondContact O-N 3.48Å
202	S	85.9	Confident	86.2	Confident	54 Å²	54	80.7 Å²	80.7	38%	0.378	39%	0.393	S	S	.	.	H	α-helix	trans	-57.9	-37.1	175.9	57.2	0	0	0	0	112.5	Q200 K205 I206	Q200-S202 VanDerWaalsContact C-N 3.29Å; Q200-S202 PolarHBondContact O-N 3.18Å; Q200-S202 PolarHBondContact OE1-OG 3.47Å; S202-K205 PolarHBondContact O-N 3.32Å; S202-I206 WeakPolarHBondContact O-CD1 3.49Å; S202-I206 VanDerWaalsContact O-CG1 3.22Å; S202-I206 WeakPolarHBondContact O-CG1 3.4Å; S202-I206 PolarHBondContact O-N 3.31Å; S202-I206 VanDerWaalsContact O-N 3.11Å
203	H	88.1	Confident	86	Confident	81 Å²	81	74.9 Å²	74.9	38%	0.375	37%	0.372	S	S	.	.	H	α-helix	trans	-70.9	-40.5	177.2	-63.5	165.2	0	0	0	111.9	F198 Q200 Y201 I206 H207	F198-H203 HydrophobicContact CB-CB 4.17Å; F198-H203 HydrophobicContact CD1-CB 3.92Å; F198-H203 HydrophobicContact CG-CB 4.27Å; Q200-H203 WeakPolarHBondContact O-CB 3.35Å; Q200-H203 PolarHBondContact O-N 2.82Å; Q200-H203 VanDerWaalsContact O-N 3.12Å; Y201-H203 PolarHBondContact O-N 3.12Å; H203-I206 PolarHBondContact O-N 3.37Å; H203-H207 WeakPolarHBondContact O-CB 3.37Å; H203-H207 PolarHBondContact O-N 3.48Å
204	L	88.5	Confident	86.1	Confident	23 Å²	23	73.2 Å²	73.2	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-47.9	171.6	174.4	64.7	0	0	0	110.8	K190 C191 F198 Q200 Y201 I206 H207 H208	K190-L204 WeakPolarHBondContact O-CD2 3.29Å; C191-L204 HydrophobicContact CB-CD1 3.7Å; F198-L204 HydrophobicContact CB-CB 4.3Å; F198-L204 HydrophobicContact CD2-CB 3.76Å; F198-L204 HydrophobicContact CD2-CD1 3.65Å; F198-L204 HydrophobicContact CD2-CG 4.32Å; F198-L204 HydrophobicContact CE2-CD1 3.78Å; F198-L204 HydrophobicContact CG-CB 4.22Å; Q200-L204 PolarHBondContact O-N 3.32Å; Y201-L204 HydrophobicContact CD2-CD2 4.4Å; Y201-L204 WeakPolarHBondContact O-CB 3.22Å; Y201-L204 PolarHBondContact O-N 2.7Å; Y201-L204 VanDerWaalsContact O-N 3.17Å; L204-I206 VanDerWaalsContact C-N 3.28Å; L204-I206 PolarHBondContact O-N 2.9Å; L204-H207 CarbonylContact O-C 3.58Å; L204-H207 WeakPolarHBondContact O-CA 3.21Å; L204-H207 WeakPolarHBondContact O-CB 3.37Å; L204-H207 PolarHBondContact O-N 3.13Å; L204-H208 PolarHBondContact O-N 3.31Å
205	K	86.2	Confident	86.2	Confident	122 Å²	122	76.9 Å²	76.9	53%	0.53	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-40.9	178.8	-175.8	169.8	-175.3	169.3	0	112.4	Y201 S202 H207	Y201-K205 PolarHBondContact O-N 3.48Å; S202-K205 PolarHBondContact O-N 3.32Å; K205-H207 VanDerWaalsContact C-N 3.35Å
206	I	84.2	Confident	86.3	Confident	41 Å²	41	70.6 Å²	70.6	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-73.3	-30.6	176.3	-58.3	159.6	0	0	0	111.6	S202 H203 L204 R209 R228	S202-I206 WeakPolarHBondContact O-CD1 3.49Å; S202-I206 VanDerWaalsContact O-CG1 3.22Å; S202-I206 WeakPolarHBondContact O-CG1 3.4Å; S202-I206 PolarHBondContact O-N 3.31Å; S202-I206 VanDerWaalsContact O-N 3.11Å; H203-I206 PolarHBondContact O-N 3.37Å; L204-I206 VanDerWaalsContact C-N 3.28Å; L204-I206 PolarHBondContact O-N 2.9Å; I206-R209 WeakPolarHBondContact O-CB 3.38Å; I206-R228 HydrophobicContact CG2-CG 3.7Å
207	H	86.5	Confident	86.4	Confident	15 Å²	15	68.4 Å²	68.4	7%	0.069	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-40.3	174.3	167.8	64.6	0	0	0	112.2	C194 F198 H203 L204 K205 R209 L210 H211	C194-H207 PolarHBondContact SG-NE2 2.8Å; F198-H207 HydrophobicContact CE1-CB 3.95Å; F198-H207 HydrophobicContact CE2-CB 3.78Å; F198-H207 AromaticContact CE2-CD2 3.3Å; F198-H207 WeakPolarHBondContact CE2-CD2 3.39Å; F198-H207 AromaticContact CE2-CG 3.57Å; F198-H207 HydrophobicContact CZ-CB 3.36Å; F198-H207 AromaticContact CZ-CD2 3.4Å; F198-H207 VanDerWaalsContact CZ-CD2 3.4Å; F198-H207 WeakPolarHBondContact CZ-CD2 3.42Å; F198-H207 AromaticContact CZ-CG 3.19Å; F198-H207 AromaticContact CZ-ND1 3.77Å; H203-H207 WeakPolarHBondContact O-CB 3.37Å; H203-H207 PolarHBondContact O-N 3.48Å; L204-H207 CarbonylContact O-C 3.58Å; L204-H207 WeakPolarHBondContact O-CA 3.21Å; L204-H207 WeakPolarHBondContact O-CB 3.37Å; L204-H207 PolarHBondContact O-N 3.13Å; K205-H207 VanDerWaalsContact C-N 3.35Å; H207-R209 PolarHBondContact O-N 2.79Å; H207-R209 VanDerWaalsContact O-N 3.16Å; H207-L210 WeakPolarHBondContact O-CB 3.4Å; H207-L210 WeakPolarHBondContact O-CG 3.32Å; H207-L210 PolarHBondContact O-N 2.86Å; H207-H211 AromaticContact CE1-NE2 3.69Å; H207-H211 AromaticContact NE2-CD2 3.75Å; H207-H211 AromaticContact NE2-NE2 3.42Å; H207-H211 PolarHBondContact NE2-NE2 2.76Å
208	H	84.1	Confident	86.5	Confident	81 Å²	81	72.8 Å²	72.8	38%	0.375	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-25.3	177	-174.6	65.7	0	0	0	112.8	E193 L204 L210 H211 T212	E193-H208 IonicContact OE1-CE1 3.95Å; E193-H208 PolarHBondContact OE1-CE1 2.92Å; E193-H208 IonicContact OE1-ND1 2.9Å; E193-H208 PolarHBondContact OE1-ND1 3.11Å; L204-H208 PolarHBondContact O-N 3.31Å; H208-L210 PolarHBondContact O-N 3.09Å; H208-L210 VanDerWaalsContact O-N 3.16Å; H208-H211 VanDerWaalsContact O-CB 3.31Å; H208-H211 WeakPolarHBondContact O-CB 3.21Å; H208-H211 PolarHBondContact O-N 3.42Å; H208-T212 WeakPolarHBondContact NE2-CG2 3.48Å; H208-T212 PolarHBondContact O-N 3.24Å; H208-T212 VanDerWaalsContact O-N 3.07Å; H208-T212 PolarHBondContact O-OG1 3.38Å
209	R	87	Confident	86.6	Confident	47 Å²	47	70.7 Å²	70.7	18%	0.177	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.4	169.4	-67.5	-178.1	179.3	160.6	1.7	114.5	I206 H207 H211 G213 D214 T227	I206-R209 WeakPolarHBondContact O-CB 3.38Å; H207-R209 PolarHBondContact O-N 2.79Å; H207-R209 VanDerWaalsContact O-N 3.16Å; R209-H211 VanDerWaalsContact C-N 3.33Å; R209-G213 CarbonylContact O-C 3.56Å; R209-G213 PolarHBondContact O-N 3.41Å; R209-D214 WeakPolarHBondContact CB-O 3.13Å; R209-D214 HydrophobicContact CG-CB 4.41Å; R209-D214 IonicContact NE-OD2 3.03Å; R209-D214 PolarHBondContact O-N 2.87Å; R209-T227 HydrophobicContact CB-CG2 4.07Å; R209-T227 WeakPolarHBondContact CD-O 3.46Å; R209-T227 PolarHBondContact NH1-O 3.44Å
210	L	82.3	Confident	86.7	Confident	114 Å²	114	75.4 Å²	75.4	60%	0.597	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-29.9	173.5	-60.2	176.1	0	0	0	111.6	H207 H208 T227	H207-L210 WeakPolarHBondContact O-CB 3.4Å; H207-L210 WeakPolarHBondContact O-CG 3.32Å; H207-L210 PolarHBondContact O-N 2.86Å; H208-L210 PolarHBondContact O-N 3.09Å; H208-L210 VanDerWaalsContact O-N 3.16Å; L210-T227 HydrophobicContact CD2-CG2 4.28Å
211	H	84.1	Confident	86.5	Confident	64 Å²	64	78.1 Å²	78.1	30%	0.296	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-51.5	179.8	-79.9	-80.2	0	0	0	111.6	E193 C194 H207 H208 R209 G213	E193-H211 VanDerWaalsContact CB-CE1 3.5Å; E193-H211 WeakPolarHBondContact CB-CE1 3.45Å; E193-H211 WeakPolarHBondContact CB-ND1 3.45Å; E193-H211 WeakPolarHBondContact OE2-CB 3.47Å; E193-H211 IonicContact OE2-CE1 3.93Å; E193-H211 IonicContact OE2-CG 3.03Å; E193-H211 IonicContact OE2-ND1 2.91Å; E193-H211 PolarHBondContact OE2-ND1 3.32Å; C194-H211 PolarHBondContact SG-NE2 2.78Å; C194-H211 VanDerWaalsContact SG-NE2 3.42Å; H207-H211 AromaticContact CE1-NE2 3.69Å; H207-H211 AromaticContact NE2-CD2 3.75Å; H207-H211 AromaticContact NE2-NE2 3.42Å; H207-H211 PolarHBondContact NE2-NE2 2.76Å; H208-H211 VanDerWaalsContact O-CB 3.31Å; H208-H211 WeakPolarHBondContact O-CB 3.21Å; H208-H211 PolarHBondContact O-N 3.42Å; R209-H211 VanDerWaalsContact C-N 3.33Å; H211-G213 PolarHBondContact O-N 3.06Å; H211-G213 VanDerWaalsContact O-N 3.14Å
212	T	85.7	Confident	86.6	Confident	78 Å²	78	73.9 Å²	73.9	48%	0.479	38%	0.38	S	S	.	.	S	Bend	trans	-71	-9.3	178.8	61.7	0	0	0	0	113.6	H208 D214	H208-T212 WeakPolarHBondContact NE2-CG2 3.48Å; H208-T212 PolarHBondContact O-N 3.24Å; H208-T212 VanDerWaalsContact O-N 3.07Å; H208-T212 PolarHBondContact O-OG1 3.38Å; T212-D214 PolarHBondContact O-N 3.46Å; T212-D214 VanDerWaalsContact O-N 3.11Å; T212-D214 WeakPolarHBondContact OG1-CB 3.37Å; T212-D214 PolarHBondContact OG1-N 3.18Å
213	G	82.6	Confident	86.7	Confident	45 Å²	45	73 Å²	73	46%	0.464	38%	0.38	S	S	.	.			trans	67.6	2.2	-170.2	0	0	0	0	0	114.2	R209 H211 K215	R209-G213 CarbonylContact O-C 3.56Å; R209-G213 PolarHBondContact O-N 3.41Å; H211-G213 PolarHBondContact O-N 3.06Å; H211-G213 VanDerWaalsContact O-N 3.14Å; G213-K215 WeakPolarHBondContact O-CG 3.43Å; G213-K215 PolarHBondContact O-N 2.8Å; G213-K215 VanDerWaalsContact O-N 3.17Å
214	D	84.7	Confident	86.8	Confident	74 Å²	74	75.1 Å²	75.1	40%	0.396	39%	0.388	S	S	.	.			trans	-62	115	-175.5	177.7	27.8	0	0	0	111.4	R209 T212 P216	R209-D214 WeakPolarHBondContact CB-O 3.13Å; R209-D214 HydrophobicContact CG-CB 4.41Å; R209-D214 IonicContact NE-OD2 3.03Å; R209-D214 PolarHBondContact O-N 2.87Å; T212-D214 PolarHBondContact O-N 3.46Å; T212-D214 VanDerWaalsContact O-N 3.11Å; T212-D214 WeakPolarHBondContact OG1-CB 3.37Å; T212-D214 PolarHBondContact OG1-N 3.18Å; D214-P216 WeakPolarHBondContact O-CD 3.25Å; D214-P216 WeakPolarHBondContact OD1-CD 3.42Å; D214-P216 WeakPolarHBondContact OD1-CG 3.38Å; D214-P216 WeakPolarHBondContact OD2-CG 3.38Å
215	K	88.4	Confident	86.9	Confident	114 Å²	114	76 Å²	76	50%	0.496	40%	0.397	S	S	.	.			trans	-125	78	179.6	-71.6	163.5	179.6	174.6	0	109.1	G213 Y217 S225 F226 T227	G213-K215 WeakPolarHBondContact O-CG 3.43Å; G213-K215 PolarHBondContact O-N 2.8Å; G213-K215 VanDerWaalsContact O-N 3.17Å; K215-Y217 PolarHBondContact O-N 3.3Å; K215-Y217 VanDerWaalsContact O-N 3.09Å; K215-S225 VanDerWaalsContact CB-CB 3.47Å; K215-S225 WeakPolarHBondContact CD-O 3.16Å; K215-S225 WeakPolarHBondContact O-CB 3.32Å; K215-F226 CarbonylContact C-O 3.59Å; K215-F226 WeakPolarHBondContact CA-O 3.48Å; K215-T227 HydrophobicContact CG-CG2 3.84Å
216	P	87.8	Confident	87	Confident	64 Å²	64	72 Å²	72	42%	0.416	38%	0.379	S	S	.	.			trans	-64.3	-21	-172.4	-22.4	32.1	0	0	0	114.5	D214	D214-P216 WeakPolarHBondContact O-CD 3.25Å; D214-P216 WeakPolarHBondContact OD1-CD 3.42Å; D214-P216 WeakPolarHBondContact OD1-CG 3.38Å; D214-P216 WeakPolarHBondContact OD2-CG 3.38Å
217	Y	90.5	Very high	87.1	Confident	79 Å²	79	71.3 Å²	71.3	31%	0.31	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	90.9	-170.7	-54.5	-75.3	0	0	0	110.3	K215 S225 F226 N229	K215-Y217 PolarHBondContact O-N 3.3Å; K215-Y217 VanDerWaalsContact O-N 3.09Å; Y217-S225 CarbonylContact O-C 3.47Å; Y217-S225 WeakPolarHBondContact O-CA 3.41Å; Y217-F226 WeakPolarHBondContact CD2-O 3.36Å; Y217-F226 PolarHBondContact N-O 2.88Å; Y217-F226 VanDerWaalsContact N-O 3.17Å; Y217-F226 PolarHBondContact O-N 3.38Å; Y217-N229 HydrophobicContact CD1-CB 3.69Å; Y217-N229 HydrophobicContact CD2-CB 4.4Å; Y217-N229 HydrophobicContact CE1-CB 3.63Å; Y217-N229 HydrophobicContact CE2-CB 4.32Å; Y217-N229 HydrophobicContact CG-CB 4.08Å
218	K	89.4	Confident	87.2	Confident	124 Å²	124	76 Å²	76	54%	0.539	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.7	179.3	-170.6	174.7	179.4	-176	0	111.9
219	C	91.1	Very high	87.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.393	C	S	.	.			trans	-82.8	121.7	167	175.5	0	0	0	0	109.1	E221 C222 G223 K224 F226 L232 H239	C219-E221 VanDerWaalsContact C-N 3.33Å; C219-E221 PolarHBondContact O-N 2.81Å; C219-C222 VanDerWaalsContact SG-SG 3.61Å; C219-G223 WeakPolarHBondContact O-CA 3.35Å; C219-G223 PolarHBondContact O-N 3.03Å; C219-K224 WeakPolarHBondContact CB-O 3.28Å; C219-K224 PolarHBondContact N-O 2.85Å; C219-F226 HydrophobicContact CB-CE2 4.39Å; C219-L232 HydrophobicContact CB-CD1 3.57Å; C219-H239 PolarHBondContact SG-NE2 3.21Å; C219-H239 VanDerWaalsContact SG-NE2 3.38Å
220	N	88.5	Confident	87.6	Confident	154 Å²	154	76.4 Å²	76.4	82%	0.824	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.3	-177.9	-64.6	-10.8	0	0	0	112.8
221	E	84.1	Confident	87.9	Confident	126 Å²	126	74 Å²	74	59%	0.589	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-32.7	-176.3	-67.1	168.8	147.1	0	0	113.8	C219 H239	C219-E221 VanDerWaalsContact C-N 3.33Å; C219-E221 PolarHBondContact O-N 2.81Å; E221-H239 WeakPolarHBondContact OE2-CB 3.38Å; E221-H239 IonicContact OE2-CD2 3.77Å; E221-H239 PolarHBondContact OE2-CD2 3.3Å; E221-H239 IonicContact OE2-CG 3.05Å; E221-H239 IonicContact OE2-NE2 2.86Å
222	C	89.5	Confident	88.2	Confident	51 Å²	51	71.6 Å²	71.6	35%	0.345	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	4.8	-178.8	74.2	0	0	0	0	114.6	C219 K224 H235 H239	C219-C222 VanDerWaalsContact SG-SG 3.61Å; C222-K224 PolarHBondContact O-N 3.41Å; C222-K224 VanDerWaalsContact SG-CG 3.6Å; C222-H235 PolarHBondContact SG-NE2 3.33Å; C222-H239 PolarHBondContact SG-NE2 3.42Å; C222-H239 VanDerWaalsContact SG-NE2 3.45Å
223	G	87.7	Confident	88.3	Confident	37 Å²	37	73.8 Å²	73.8	38%	0.381	39%	0.39	S	S	.	.			trans	69.3	-4.6	-179.7	0	0	0	0	0	115.7	C219 S225	C219-G223 WeakPolarHBondContact O-CA 3.35Å; C219-G223 PolarHBondContact O-N 3.03Å; G223-S225 PolarHBondContact O-N 3.28Å
224	K	89.8	Confident	88.6	Confident	124 Å²	124	74.2 Å²	74.2	54%	0.539	38%	0.381	S	S	.	.			trans	-68	130.2	-178	-70.7	179.8	-177.1	173.8	0	111.5	C219 C222 F226	C219-K224 WeakPolarHBondContact CB-O 3.28Å; C219-K224 PolarHBondContact N-O 2.85Å; C222-K224 PolarHBondContact O-N 3.41Å; C222-K224 VanDerWaalsContact SG-CG 3.6Å; K224-F226 HydrophobicContact CB-CE2 4.03Å; K224-F226 HydrophobicContact CB-CZ 4Å; K224-F226 WeakPolarHBondContact O-CE2 3.36Å
225	S	89.8	Confident	88.8	Confident	43 Å²	43	71.8 Å²	71.8	30%	0.301	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146	178.6	-54.8	0	0	0	0	112.9	K215 Y217 G223	K215-S225 VanDerWaalsContact CB-CB 3.47Å; K215-S225 WeakPolarHBondContact CD-O 3.16Å; K215-S225 WeakPolarHBondContact O-CB 3.32Å; Y217-S225 CarbonylContact O-C 3.47Å; Y217-S225 WeakPolarHBondContact O-CA 3.41Å; G223-S225 PolarHBondContact O-N 3.28Å
226	F	89	Confident	88.8	Confident	37 Å²	37	70 Å²	70	16%	0.162	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.4	-176.7	-56.8	-86.1	0	0	0	111.6	K215 Y217 C219 K224 R228 V231 L232 H235	K215-F226 CarbonylContact C-O 3.59Å; K215-F226 WeakPolarHBondContact CA-O 3.48Å; Y217-F226 WeakPolarHBondContact CD2-O 3.36Å; Y217-F226 PolarHBondContact N-O 2.88Å; Y217-F226 VanDerWaalsContact N-O 3.17Å; Y217-F226 PolarHBondContact O-N 3.38Å; C219-F226 HydrophobicContact CB-CE2 4.39Å; K224-F226 HydrophobicContact CB-CE2 4.03Å; K224-F226 HydrophobicContact CB-CZ 4Å; K224-F226 WeakPolarHBondContact O-CE2 3.36Å; F226-R228 VanDerWaalsContact C-N 3.28Å; F226-R228 PolarHBondContact O-N 3.25Å; F226-V231 HydrophobicContact CB-CB 4.42Å; F226-V231 HydrophobicContact CD1-CB 4.32Å; F226-V231 HydrophobicContact CD1-CG1 3.55Å; F226-V231 HydrophobicContact CE1-CG1 4.13Å; F226-V231 HydrophobicContact CG-CG1 4.23Å; F226-L232 HydrophobicContact CB-CB 4.36Å; F226-L232 HydrophobicContact CD2-CB 3.76Å; F226-L232 HydrophobicContact CD2-CD1 3.66Å; F226-L232 HydrophobicContact CD2-CG 4.3Å; F226-L232 HydrophobicContact CE2-CD1 3.75Å; F226-L232 HydrophobicContact CG-CB 4.29Å; F226-H235 HydrophobicContact CE1-CB 4.1Å; F226-H235 HydrophobicContact CE2-CB 3.86Å; F226-H235 AromaticContact CE2-CD2 3.43Å; F226-H235 VanDerWaalsContact CE2-CD2 3.43Å; F226-H235 WeakPolarHBondContact CE2-CD2 3.12Å; F226-H235 AromaticContact CE2-CG 3.55Å; F226-H235 AromaticContact CE2-NE2 4Å; F226-H235 HydrophobicContact CZ-CB 3.52Å; F226-H235 AromaticContact CZ-CD2 3.53Å; F226-H235 AromaticContact CZ-CE1 3.92Å; F226-H235 AromaticContact CZ-CG 3.2Å; F226-H235 AromaticContact CZ-ND1 3.48Å; F226-H235 WeakPolarHBondContact CZ-ND1 3.42Å; F226-H235 AromaticContact CZ-NE2 3.95Å
227	T	87.5	Confident	88.9	Confident	27 Å²	27	69.7 Å²	69.7	17%	0.166	35%	0.351	C	S	.	.	S	Bend	trans	-76.5	-14.5	178.3	58.6	0	0	0	0	113.4	R209 L210 K215	R209-T227 HydrophobicContact CB-CG2 4.07Å; R209-T227 WeakPolarHBondContact CD-O 3.46Å; R209-T227 PolarHBondContact NH1-O 3.44Å; L210-T227 HydrophobicContact CD2-CG2 4.28Å; K215-T227 HydrophobicContact CG-CG2 3.84Å
228	R	88.5	Confident	88.7	Confident	112 Å²	112	70.7 Å²	70.7	42%	0.423	36%	0.361	S	S	.	.	S	Bend	trans	-139.6	136.6	-178.7	-60.7	179.6	-171.3	-158.6	-10.4	111.1	I206 F226 S230 V231 L232	I206-R228 HydrophobicContact CG2-CG 3.7Å; F226-R228 VanDerWaalsContact C-N 3.28Å; F226-R228 PolarHBondContact O-N 3.25Å; R228-S230 VanDerWaalsContact C-N 3.31Å; R228-S230 PolarHBondContact O-N 3.38Å; R228-V231 HydrophobicContact CB-CG2 4.09Å; R228-V231 PolarHBondContact O-N 3.16Å; R228-V231 VanDerWaalsContact O-N 3.11Å; R228-L232 PolarHBondContact O-N 3.15Å
229	N	89.9	Confident	88.7	Confident	66 Å²	66	68.2 Å²	68.2	35%	0.353	35%	0.351	S	S	.	.	H	α-helix	trans	-59.5	-38.2	178	-168.4	22.5	0	0	0	113.1	Y217 V231 L232 K233	Y217-N229 HydrophobicContact CD1-CB 3.69Å; Y217-N229 HydrophobicContact CD2-CB 4.4Å; Y217-N229 HydrophobicContact CE1-CB 3.63Å; Y217-N229 HydrophobicContact CE2-CB 4.32Å; Y217-N229 HydrophobicContact CG-CB 4.08Å; N229-V231 PolarHBondContact O-N 3.34Å; N229-L232 WeakPolarHBondContact O-CB 3.34Å; N229-L232 PolarHBondContact O-N 3.18Å; N229-K233 WeakPolarHBondContact O-CG 3.45Å; N229-K233 PolarHBondContact O-N 3.32Å
230	S	88	Confident	88.5	Confident	71 Å²	71	72.7 Å²	72.7	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-31.2	178.5	56.1	0	0	0	0	113	R228 I234	R228-S230 VanDerWaalsContact C-N 3.31Å; R228-S230 PolarHBondContact O-N 3.38Å; S230-I234 WeakPolarHBondContact O-CD1 3.37Å; S230-I234 VanDerWaalsContact O-CG1 3.28Å; S230-I234 WeakPolarHBondContact O-CG1 3.4Å; S230-I234 PolarHBondContact O-N 2.82Å
231	V	88.5	Confident	88.3	Confident	65 Å²	65	67.5 Å²	67.5	39%	0.394	36%	0.362	S	S	.	.	H	α-helix	trans	-74.7	-41.2	176.4	-177.5	0	0	0	0	110.3	F226 R228 N229 I234 H235	F226-V231 HydrophobicContact CB-CB 4.42Å; F226-V231 HydrophobicContact CD1-CB 4.32Å; F226-V231 HydrophobicContact CD1-CG1 3.55Å; F226-V231 HydrophobicContact CE1-CG1 4.13Å; F226-V231 HydrophobicContact CG-CG1 4.23Å; R228-V231 HydrophobicContact CB-CG2 4.09Å; R228-V231 PolarHBondContact O-N 3.16Å; R228-V231 VanDerWaalsContact O-N 3.11Å; N229-V231 PolarHBondContact O-N 3.34Å; V231-I234 PolarHBondContact O-N 2.9Å; V231-H235 WeakPolarHBondContact O-CB 3.33Å; V231-H235 PolarHBondContact O-N 2.83Å
232	L	90.4	Very high	88.5	Confident	12 Å²	12	65 Å²	65	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-57.4	-48.6	171.6	172.7	63.6	0	0	0	111.2	C219 F226 R228 N229 I234 H235 Q236	C219-L232 HydrophobicContact CB-CD1 3.57Å; F226-L232 HydrophobicContact CB-CB 4.36Å; F226-L232 HydrophobicContact CD2-CB 3.76Å; F226-L232 HydrophobicContact CD2-CD1 3.66Å; F226-L232 HydrophobicContact CD2-CG 4.3Å; F226-L232 HydrophobicContact CE2-CD1 3.75Å; F226-L232 HydrophobicContact CG-CB 4.29Å; R228-L232 PolarHBondContact O-N 3.15Å; N229-L232 WeakPolarHBondContact O-CB 3.34Å; N229-L232 PolarHBondContact O-N 3.18Å; L232-I234 VanDerWaalsContact C-N 3.31Å; L232-I234 PolarHBondContact O-N 3.3Å; L232-H235 CarbonylContact O-C 3.58Å; L232-H235 WeakPolarHBondContact O-CA 3.48Å; L232-H235 VanDerWaalsContact O-CB 3.31Å; L232-H235 WeakPolarHBondContact O-CB 3.42Å; L232-H235 PolarHBondContact O-N 3.49Å; L232-Q236 HydrophobicContact CD1-CG 4.08Å; L232-Q236 HydrophobicContact CG-CG 4.39Å; L232-Q236 WeakPolarHBondContact O-CG 3.38Å; L232-Q236 PolarHBondContact O-N 2.8Å
233	K	88.9	Confident	88.5	Confident	125 Å²	125	67.9 Å²	67.9	54%	0.543	36%	0.359	S	S	.	.	H	α-helix	trans	-57.8	-41.7	178.5	-72.7	-171.9	177.5	-168.2	0	112.8	N229 H235	N229-K233 WeakPolarHBondContact O-CG 3.45Å; N229-K233 PolarHBondContact O-N 3.32Å; K233-H235 VanDerWaalsContact C-N 3.32Å
234	I	88	Confident	88.6	Confident	54 Å²	54	69.2 Å²	69.2	28%	0.277	36%	0.361	S	S	.	.	H	α-helix	trans	-71	-32.4	175.9	-62.1	163	0	0	0	111	S230 V231 L232 R237 K256	S230-I234 WeakPolarHBondContact O-CD1 3.37Å; S230-I234 VanDerWaalsContact O-CG1 3.28Å; S230-I234 WeakPolarHBondContact O-CG1 3.4Å; S230-I234 PolarHBondContact O-N 2.82Å; V231-I234 PolarHBondContact O-N 2.9Å; L232-I234 VanDerWaalsContact C-N 3.31Å; L232-I234 PolarHBondContact O-N 3.3Å; I234-R237 WeakPolarHBondContact O-CB 3.48Å; I234-K256 HydrophobicContact CG2-CD 4.33Å; I234-K256 VanDerWaalsContact CG2-CE 3.46Å; I234-K256 HydrophobicContact CG2-CG 3.92Å
235	H	89.5	Confident	88.7	Confident	22 Å²	22	67.2 Å²	67.2	10%	0.102	35%	0.351	C	S	.	.	H	α-helix	trans	-67.2	-43.2	174.6	165.9	80.1	0	0	0	112	C222 F226 V231 L232 K233 R237 I238 H239	C222-H235 PolarHBondContact SG-NE2 3.33Å; F226-H235 HydrophobicContact CE1-CB 4.1Å; F226-H235 HydrophobicContact CE2-CB 3.86Å; F226-H235 AromaticContact CE2-CD2 3.43Å; F226-H235 VanDerWaalsContact CE2-CD2 3.43Å; F226-H235 WeakPolarHBondContact CE2-CD2 3.12Å; F226-H235 AromaticContact CE2-CG 3.55Å; F226-H235 AromaticContact CE2-NE2 4Å; F226-H235 HydrophobicContact CZ-CB 3.52Å; F226-H235 AromaticContact CZ-CD2 3.53Å; F226-H235 AromaticContact CZ-CE1 3.92Å; F226-H235 AromaticContact CZ-CG 3.2Å; F226-H235 AromaticContact CZ-ND1 3.48Å; F226-H235 WeakPolarHBondContact CZ-ND1 3.42Å; F226-H235 AromaticContact CZ-NE2 3.95Å; V231-H235 WeakPolarHBondContact O-CB 3.33Å; V231-H235 PolarHBondContact O-N 2.83Å; L232-H235 CarbonylContact O-C 3.58Å; L232-H235 WeakPolarHBondContact O-CA 3.48Å; L232-H235 VanDerWaalsContact O-CB 3.31Å; L232-H235 WeakPolarHBondContact O-CB 3.42Å; L232-H235 PolarHBondContact O-N 3.49Å; K233-H235 VanDerWaalsContact C-N 3.32Å; H235-R237 PolarHBondContact O-N 3.43Å; H235-I238 WeakPolarHBondContact CE1-CD1 3.44Å; H235-I238 WeakPolarHBondContact ND1-CD1 3.42Å; H235-I238 WeakPolarHBondContact O-CB 3.14Å; H235-I238 WeakPolarHBondContact O-CG1 3.5Å; H235-I238 WeakPolarHBondContact O-CG2 3.38Å; H235-I238 PolarHBondContact O-N 3.46Å; H235-H239 AromaticContact CE1-NE2 3.81Å; H235-H239 AromaticContact NE2-NE2 3.27Å; H235-H239 PolarHBondContact NE2-NE2 2.99Å
236	Q	88.8	Confident	88.7	Confident	77 Å²	77	71.1 Å²	71.1	36%	0.36	36%	0.362	S	S	.	.	H	α-helix	trans	-56	-27.6	178.8	-74.2	172.8	-47.9	0	0	113	L232 I238 H239 T240	L232-Q236 HydrophobicContact CD1-CG 4.08Å; L232-Q236 HydrophobicContact CG-CG 4.39Å; L232-Q236 WeakPolarHBondContact O-CG 3.38Å; L232-Q236 PolarHBondContact O-N 2.8Å; Q236-I238 PolarHBondContact O-N 2.96Å; Q236-I238 VanDerWaalsContact O-N 3.09Å; Q236-H239 PolarHBondContact O-N 3.47Å; Q236-T240 PolarHBondContact O-N 3.12Å
237	R	90	Very high	88.8	Confident	57 Å²	57	69.4 Å²	69.4	22%	0.215	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.2	172.4	-67.7	-178.1	176.5	163.1	2	114.6	I234 H235 H239 T240 G241 D242 T255	I234-R237 WeakPolarHBondContact O-CB 3.48Å; H235-R237 PolarHBondContact O-N 3.43Å; R237-H239 VanDerWaalsContact C-N 3.33Å; R237-T240 WeakPolarHBondContact CA-OG1 3.47Å; R237-G241 CarbonylContact O-C 3.35Å; R237-G241 WeakPolarHBondContact O-CA 3.14Å; R237-G241 PolarHBondContact O-N 3.46Å; R237-G241 VanDerWaalsContact O-N 3.15Å; R237-D242 WeakPolarHBondContact CB-O 3.43Å; R237-D242 HydrophobicContact CG-CB 4.34Å; R237-D242 IonicContact NE-OD2 2.89Å; R237-D242 PolarHBondContact O-N 3.09Å; R237-T255 HydrophobicContact CB-CG2 4.06Å; R237-T255 PolarHBondContact NH1-O 2.94Å
238	I	86.8	Confident	88.9	Confident	100 Å²	100	75.3 Å²	75.3	51%	0.513	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.4	175	79.8	-176.8	0	0	0	111.9	H235 Q236	H235-I238 WeakPolarHBondContact CE1-CD1 3.44Å; H235-I238 WeakPolarHBondContact ND1-CD1 3.42Å; H235-I238 WeakPolarHBondContact O-CB 3.14Å; H235-I238 WeakPolarHBondContact O-CG1 3.5Å; H235-I238 WeakPolarHBondContact O-CG2 3.38Å; H235-I238 PolarHBondContact O-N 3.46Å; Q236-I238 PolarHBondContact O-N 2.96Å; Q236-I238 VanDerWaalsContact O-N 3.09Å
239	H	88.4	Confident	88.8	Confident	72 Å²	72	75.8 Å²	75.8	33%	0.333	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-43.7	-177.9	-57.5	-53.6	0	0	0	110.7	C219 E221 C222 H235 Q236 R237 G241	C219-H239 PolarHBondContact SG-NE2 3.21Å; C219-H239 VanDerWaalsContact SG-NE2 3.38Å; E221-H239 WeakPolarHBondContact OE2-CB 3.38Å; E221-H239 IonicContact OE2-CD2 3.77Å; E221-H239 PolarHBondContact OE2-CD2 3.3Å; E221-H239 IonicContact OE2-CG 3.05Å; E221-H239 IonicContact OE2-NE2 2.86Å; C222-H239 PolarHBondContact SG-NE2 3.42Å; C222-H239 VanDerWaalsContact SG-NE2 3.45Å; H235-H239 AromaticContact CE1-NE2 3.81Å; H235-H239 AromaticContact NE2-NE2 3.27Å; H235-H239 PolarHBondContact NE2-NE2 2.99Å; Q236-H239 PolarHBondContact O-N 3.47Å; R237-H239 VanDerWaalsContact C-N 3.33Å; H239-G241 PolarHBondContact O-N 3.21Å
240	T	87.3	Confident	88.8	Confident	94 Å²	94	75.2 Å²	75.2	58%	0.577	39%	0.393	S	S	*	.	S	Bend	trans	-72	-14	175.1	64.1	0	0	0	0	113	Q236 R237 D242	Q236-T240 PolarHBondContact O-N 3.12Å; R237-T240 WeakPolarHBondContact CA-OG1 3.47Å; T240-D242 PolarHBondContact O-N 3.35Å; T240-D242 VanDerWaalsContact O-N 3.13Å; T240-D242 WeakPolarHBondContact OG1-CB 3.31Å; T240-D242 PolarHBondContact OG1-N 2.88Å
241	G	84.8	Confident	88.8	Confident	45 Å²	45	73.6 Å²	73.6	46%	0.464	39%	0.388	S	S	.	.			trans	67.9	3	-170.8	0	0	0	0	0	114	R237 H239 K243	R237-G241 CarbonylContact O-C 3.35Å; R237-G241 WeakPolarHBondContact O-CA 3.14Å; R237-G241 PolarHBondContact O-N 3.46Å; R237-G241 VanDerWaalsContact O-N 3.15Å; H239-G241 PolarHBondContact O-N 3.21Å; G241-K243 PolarHBondContact O-N 3.1Å
242	D	87.4	Confident	88.9	Confident	74 Å²	74	76.6 Å²	76.6	40%	0.396	40%	0.395	S	S	.	.			trans	-63.2	120	-174.4	177	31.4	0	0	0	111.5	R237 T240 P244	R237-D242 WeakPolarHBondContact CB-O 3.43Å; R237-D242 HydrophobicContact CG-CB 4.34Å; R237-D242 IonicContact NE-OD2 2.89Å; R237-D242 PolarHBondContact O-N 3.09Å; T240-D242 PolarHBondContact O-N 3.35Å; T240-D242 VanDerWaalsContact O-N 3.13Å; T240-D242 WeakPolarHBondContact OG1-CB 3.31Å; T240-D242 PolarHBondContact OG1-N 2.88Å; D242-P244 WeakPolarHBondContact OD1-CD 3.48Å; D242-P244 WeakPolarHBondContact OD1-CG 3.4Å; D242-P244 WeakPolarHBondContact OD2-CG 3.41Å
243	K	90.2	Very high	88.9	Confident	112 Å²	112	78 Å²	78	49%	0.487	41%	0.406	S	S	.	.			trans	-128.9	79.7	179.6	-69.6	167.8	-176.1	177.7	0	108.7	G241 Y245 S253 F254 T255	G241-K243 PolarHBondContact O-N 3.1Å; K243-Y245 PolarHBondContact O-N 3.28Å; K243-Y245 VanDerWaalsContact O-N 3.1Å; K243-S253 VanDerWaalsContact CB-CB 3.4Å; K243-S253 WeakPolarHBondContact CD-O 3.36Å; K243-S253 VanDerWaalsContact O-CB 3.3Å; K243-S253 WeakPolarHBondContact O-CB 3.47Å; K243-F254 CarbonylContact C-O 3.46Å; K243-F254 WeakPolarHBondContact CA-O 3.43Å; K243-T255 HydrophobicContact CG-CG2 3.9Å
244	P	89.2	Confident	89	Confident	64 Å²	64	74.1 Å²	74.1	42%	0.416	39%	0.389	S	S	.	.			trans	-63.8	-21.5	-172.1	-24.6	34.2	0	0	0	114.5	D242 K246	D242-P244 WeakPolarHBondContact OD1-CD 3.48Å; D242-P244 WeakPolarHBondContact OD1-CG 3.4Å; D242-P244 WeakPolarHBondContact OD2-CG 3.41Å; P244-K246 PolarHBondContact O-N 3.05Å
245	Y	91.6	Very high	89	Confident	83 Å²	83	73.1 Å²	73.1	33%	0.325	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	87.7	-172.8	-54.1	-73.8	0	0	0	110	K243 S253 F254 S257	K243-Y245 PolarHBondContact O-N 3.28Å; K243-Y245 VanDerWaalsContact O-N 3.1Å; Y245-S253 CarbonylContact O-C 3.51Å; Y245-S253 WeakPolarHBondContact O-CA 3.3Å; Y245-F254 WeakPolarHBondContact CD2-O 3.4Å; Y245-F254 PolarHBondContact N-O 3.16Å; Y245-F254 PolarHBondContact O-N 3.47Å; Y245-S257 VanDerWaalsContact CE2-N 3.29Å
246	K	89.9	Confident	88.9	Confident	125 Å²	125	76.4 Å²	76.4	54%	0.543	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.1	178.9	-171.7	175.1	179.1	-175.2	0	111.5	P244 S253	P244-K246 PolarHBondContact O-N 3.05Å; K246-S253 WeakPolarHBondContact CG-OG 3.46Å
247	C	91.7	Very high	89	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.404	C	S	.	.			trans	-80.2	121.9	166.4	-178.1	0	0	0	0	108.8	E249 G251 K252 L260	C247-E249 VanDerWaalsContact C-N 3.29Å; C247-E249 PolarHBondContact O-N 3.44Å; C247-G251 WeakPolarHBondContact O-CA 3.18Å; C247-G251 PolarHBondContact O-N 2.78Å; C247-K252 VanDerWaalsContact CB-O 3.3Å; C247-K252 WeakPolarHBondContact CB-O 3.44Å; C247-K252 PolarHBondContact N-O 3.22Å; C247-L260 HydrophobicContact CB-CD1 3.62Å
248	N	89.4	Confident	88.9	Confident	151 Å²	151	76.5 Å²	76.5	81%	0.807	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.9	-178.6	-66.5	-14.6	0	0	0	112.9
249	E	85.6	Confident	89.1	Confident	122 Å²	122	75.4 Å²	75.4	57%	0.57	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-37.2	-176.6	-65.2	-178.2	-136.2	0	0	114.2	C247 H267	C247-E249 VanDerWaalsContact C-N 3.29Å; C247-E249 PolarHBondContact O-N 3.44Å; E249-H267 WeakPolarHBondContact OE2-CB 3.43Å; E249-H267 IonicContact OE2-CE1 3.92Å; E249-H267 IonicContact OE2-CG 3.28Å; E249-H267 IonicContact OE2-ND1 3.2Å; E249-H267 PolarHBondContact OE2-ND1 3Å
250	C	90.5	Very high	89.3	Confident	55 Å²	55	73 Å²	73	37%	0.372	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	3.6	177.6	66.3	0	0	0	0	114.5	K252 H263 H267	C250-K252 PolarHBondContact O-N 3.46Å; C250-K252 VanDerWaalsContact SG-CG 3.56Å; C250-H263 PolarHBondContact SG-NE2 3.11Å; C250-H267 PolarHBondContact SG-NE2 3.5Å
251	G	88.8	Confident	89.4	Confident	37 Å²	37	75.4 Å²	75.4	38%	0.381	41%	0.405	S	S	.	.			trans	69.5	-1.9	-177.8	0	0	0	0	0	115.4	C247 S253	C247-G251 WeakPolarHBondContact O-CA 3.18Å; C247-G251 PolarHBondContact O-N 2.78Å; G251-S253 PolarHBondContact O-N 3.28Å
252	K	90	Very high	89.6	Confident	128 Å²	128	75.1 Å²	75.1	56%	0.557	39%	0.394	S	S	*	.			trans	-68.5	131.2	-179.5	-72	179.7	-176.9	171.3	0	111.2	C247 C250 F254	C247-K252 VanDerWaalsContact CB-O 3.3Å; C247-K252 WeakPolarHBondContact CB-O 3.44Å; C247-K252 PolarHBondContact N-O 3.22Å; C250-K252 PolarHBondContact O-N 3.46Å; C250-K252 VanDerWaalsContact SG-CG 3.56Å; K252-F254 HydrophobicContact CB-CE2 4.11Å; K252-F254 HydrophobicContact CB-CZ 4.19Å; K252-F254 WeakPolarHBondContact O-CE2 3.45Å
253	S	90.6	Very high	89.7	Confident	42 Å²	42	72.4 Å²	72.4	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.6	178.9	-54	0	0	0	0	113.2	K243 Y245 K246 G251	K243-S253 VanDerWaalsContact CB-CB 3.4Å; K243-S253 WeakPolarHBondContact CD-O 3.36Å; K243-S253 VanDerWaalsContact O-CB 3.3Å; K243-S253 WeakPolarHBondContact O-CB 3.47Å; Y245-S253 CarbonylContact O-C 3.51Å; Y245-S253 WeakPolarHBondContact O-CA 3.3Å; K246-S253 WeakPolarHBondContact CG-OG 3.46Å; G251-S253 PolarHBondContact O-N 3.28Å
254	F	89.6	Confident	89.6	Confident	42 Å²	42	69.8 Å²	69.8	18%	0.184	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152	-177.3	-58	-90.2	0	0	0	111.9	K243 Y245 K252 K256 N259 L260 H263	K243-F254 CarbonylContact C-O 3.46Å; K243-F254 WeakPolarHBondContact CA-O 3.43Å; Y245-F254 WeakPolarHBondContact CD2-O 3.4Å; Y245-F254 PolarHBondContact N-O 3.16Å; Y245-F254 PolarHBondContact O-N 3.47Å; K252-F254 HydrophobicContact CB-CE2 4.11Å; K252-F254 HydrophobicContact CB-CZ 4.19Å; K252-F254 WeakPolarHBondContact O-CE2 3.45Å; F254-K256 VanDerWaalsContact C-N 3.34Å; F254-N259 HydrophobicContact CB-CB 4.22Å; F254-N259 HydrophobicContact CD1-CB 3.98Å; F254-N259 HydrophobicContact CG-CB 4.32Å; F254-L260 HydrophobicContact CB-CB 4.35Å; F254-L260 HydrophobicContact CD2-CB 3.79Å; F254-L260 HydrophobicContact CD2-CD1 3.61Å; F254-L260 HydrophobicContact CD2-CG 4.3Å; F254-L260 HydrophobicContact CE2-CD1 3.73Å; F254-L260 HydrophobicContact CG-CB 4.26Å; F254-H263 HydrophobicContact CE1-CB 3.99Å; F254-H263 HydrophobicContact CE2-CB 3.78Å; F254-H263 AromaticContact CE2-CD2 3.38Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.37Å; F254-H263 AromaticContact CE2-CG 3.52Å; F254-H263 HydrophobicContact CZ-CB 3.4Å; F254-H263 VanDerWaalsContact CZ-CB 3.4Å; F254-H263 AromaticContact CZ-CD2 3.51Å; F254-H263 AromaticContact CZ-CG 3.17Å; F254-H263 AromaticContact CZ-ND1 3.57Å
255	T	88.6	Confident	89.7	Confident	34 Å²	34	68.9 Å²	68.9	21%	0.209	36%	0.356	C	S	.	.	S	Bend	trans	-79.9	-14.8	176.9	57	0	0	0	0	113.4	R237 K243	R237-T255 HydrophobicContact CB-CG2 4.06Å; R237-T255 PolarHBondContact NH1-O 2.94Å; K243-T255 HydrophobicContact CG-CG2 3.9Å
256	K	88.6	Confident	89.4	Confident	91 Å²	91	70.3 Å²	70.3	40%	0.396	37%	0.369	S	S	.	.	S	Bend	trans	-134.9	137.6	179.1	-65.3	-179.5	-178.7	176.9	0	110.6	I234 F254 S258 N259 L260	I234-K256 HydrophobicContact CG2-CD 4.33Å; I234-K256 VanDerWaalsContact CG2-CE 3.46Å; I234-K256 HydrophobicContact CG2-CG 3.92Å; F254-K256 VanDerWaalsContact C-N 3.34Å; K256-S258 VanDerWaalsContact C-N 3.29Å; K256-S258 PolarHBondContact O-N 3.36Å; K256-N259 HydrophobicContact CB-CB 4.45Å; K256-N259 WeakPolarHBondContact O-CB 3.49Å; K256-N259 PolarHBondContact O-N 3.19Å; K256-N259 VanDerWaalsContact O-N 3.1Å; K256-L260 PolarHBondContact O-N 3.1Å
257	S	90.4	Very high	89.4	Confident	65 Å²	65	67.4 Å²	67.4	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-59	-38.3	175.6	174.2	0	0	0	0	112.5	Y245 N259 L260 K261	Y245-S257 VanDerWaalsContact CE2-N 3.29Å; S257-N259 VanDerWaalsContact C-N 3.25Å; S257-N259 PolarHBondContact O-N 3.38Å; S257-L260 WeakPolarHBondContact O-CB 3.43Å; S257-L260 PolarHBondContact O-N 3.22Å; S257-L260 VanDerWaalsContact O-N 3.15Å; S257-K261 PolarHBondContact O-N 3.35Å
258	S	88.6	Confident	89.2	Confident	70 Å²	70	72 Å²	72	49%	0.49	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-35.1	176.8	60	0	0	0	0	112.9	K256 K261 V262	K256-S258 VanDerWaalsContact C-N 3.29Å; K256-S258 PolarHBondContact O-N 3.36Å; S258-K261 PolarHBondContact O-N 3.42Å; S258-V262 WeakPolarHBondContact O-CG2 3.41Å; S258-V262 PolarHBondContact O-N 3.01Å; S258-V262 VanDerWaalsContact O-N 3.08Å
259	N	90.4	Very high	89	Confident	78 Å²	78	66.9 Å²	66.9	42%	0.417	37%	0.368	S	S	.	.	H	α-helix	trans	-71.8	-39.3	177.4	-68.8	5.8	0	0	0	111.1	F254 K256 S257 V262 H263	F254-N259 HydrophobicContact CB-CB 4.22Å; F254-N259 HydrophobicContact CD1-CB 3.98Å; F254-N259 HydrophobicContact CG-CB 4.32Å; K256-N259 HydrophobicContact CB-CB 4.45Å; K256-N259 WeakPolarHBondContact O-CB 3.49Å; K256-N259 PolarHBondContact O-N 3.19Å; K256-N259 VanDerWaalsContact O-N 3.1Å; S257-N259 VanDerWaalsContact C-N 3.25Å; S257-N259 PolarHBondContact O-N 3.38Å; N259-V262 PolarHBondContact O-N 3.2Å; N259-H263 VanDerWaalsContact O-CB 3.31Å; N259-H263 WeakPolarHBondContact O-CB 3.29Å; N259-H263 PolarHBondContact O-N 3.25Å
260	L	91.1	Very high	89.1	Confident	20 Å²	20	64.7 Å²	64.7	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-45.4	172	175.9	65	0	0	0	110.9	C247 F254 K256 S257 V262 H263 H264	C247-L260 HydrophobicContact CB-CD1 3.62Å; F254-L260 HydrophobicContact CB-CB 4.35Å; F254-L260 HydrophobicContact CD2-CB 3.79Å; F254-L260 HydrophobicContact CD2-CD1 3.61Å; F254-L260 HydrophobicContact CD2-CG 4.3Å; F254-L260 HydrophobicContact CE2-CD1 3.73Å; F254-L260 HydrophobicContact CG-CB 4.26Å; K256-L260 PolarHBondContact O-N 3.1Å; S257-L260 WeakPolarHBondContact O-CB 3.43Å; S257-L260 PolarHBondContact O-N 3.22Å; S257-L260 VanDerWaalsContact O-N 3.15Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.13Å; L260-H263 CarbonylContact O-C 3.52Å; L260-H263 WeakPolarHBondContact O-CA 3.49Å; L260-H263 WeakPolarHBondContact O-CB 3.46Å; L260-H263 PolarHBondContact O-N 3.29Å; L260-H264 WeakPolarHBondContact CD1-NE2 3.2Å; L260-H264 WeakPolarHBondContact CG-NE2 3.44Å; L260-H264 PolarHBondContact O-CD2 3.22Å; L260-H264 VanDerWaalsContact O-CD2 3.25Å; L260-H264 PolarHBondContact O-N 3.48Å
261	K	89.7	Confident	89.2	Confident	146 Å²	146	67.6 Å²	67.6	64%	0.635	37%	0.367	S	S	*	.	H	α-helix	trans	-58.4	-43.3	177.4	-174.3	172.8	-174.7	171.4	0	112.5	S257 S258 H263	S257-K261 PolarHBondContact O-N 3.35Å; S258-K261 PolarHBondContact O-N 3.42Å; K261-H263 VanDerWaalsContact C-N 3.32Å
262	V	88.9	Confident	89.2	Confident	38 Å²	38	69 Å²	69	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-68.9	-33.7	175.2	173.8	0	0	0	0	111.4	S258 N259 L260 R265 Q284	S258-V262 WeakPolarHBondContact O-CG2 3.41Å; S258-V262 PolarHBondContact O-N 3.01Å; S258-V262 VanDerWaalsContact O-N 3.08Å; N259-V262 PolarHBondContact O-N 3.2Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.13Å; V262-R265 WeakPolarHBondContact O-CB 3.46Å; V262-R265 PolarHBondContact O-N 3.1Å; V262-Q284 HydrophobicContact CG1-CG 3.62Å; V262-Q284 VanDerWaalsContact CG1-NE2 3.3Å
263	H	91	Very high	89.3	Confident	17 Å²	17	66.4 Å²	66.4	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-39.3	175.7	168.4	72.4	0	0	0	113.1	C250 F254 N259 L260 K261 R265 L266 H267	C250-H263 PolarHBondContact SG-NE2 3.11Å; F254-H263 HydrophobicContact CE1-CB 3.99Å; F254-H263 HydrophobicContact CE2-CB 3.78Å; F254-H263 AromaticContact CE2-CD2 3.38Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.37Å; F254-H263 AromaticContact CE2-CG 3.52Å; F254-H263 HydrophobicContact CZ-CB 3.4Å; F254-H263 VanDerWaalsContact CZ-CB 3.4Å; F254-H263 AromaticContact CZ-CD2 3.51Å; F254-H263 AromaticContact CZ-CG 3.17Å; F254-H263 AromaticContact CZ-ND1 3.57Å; N259-H263 VanDerWaalsContact O-CB 3.31Å; N259-H263 WeakPolarHBondContact O-CB 3.29Å; N259-H263 PolarHBondContact O-N 3.25Å; L260-H263 CarbonylContact O-C 3.52Å; L260-H263 WeakPolarHBondContact O-CA 3.49Å; L260-H263 WeakPolarHBondContact O-CB 3.46Å; L260-H263 PolarHBondContact O-N 3.29Å; K261-H263 VanDerWaalsContact C-N 3.32Å; H263-R265 PolarHBondContact O-N 3.08Å; H263-R265 VanDerWaalsContact O-N 3.12Å; H263-L266 VanDerWaalsContact O-CB 3.24Å; H263-L266 WeakPolarHBondContact O-CB 3.38Å; H263-L266 WeakPolarHBondContact O-CG 3.1Å; H263-L266 PolarHBondContact O-N 3.2Å; H263-H267 AromaticContact CE1-NE2 3.8Å; H263-H267 AromaticContact NE2-CD2 3.7Å; H263-H267 AromaticContact NE2-NE2 3.38Å; H263-H267 PolarHBondContact NE2-NE2 3.34Å
264	H	88.2	Confident	89.3	Confident	58 Å²	58	70.4 Å²	70.4	27%	0.269	37%	0.369	S	S	.	.	H	α-helix	trans	-56.7	-27.2	175.4	-81.7	-66.7	0	0	0	113	L260 L266 H267 T268	L260-H264 WeakPolarHBondContact CD1-NE2 3.2Å; L260-H264 WeakPolarHBondContact CG-NE2 3.44Å; L260-H264 PolarHBondContact O-CD2 3.22Å; L260-H264 VanDerWaalsContact O-CD2 3.25Å; L260-H264 PolarHBondContact O-N 3.48Å; H264-L266 PolarHBondContact O-N 3.44Å; H264-H267 WeakPolarHBondContact O-CB 3.48Å; H264-H267 PolarHBondContact O-N 3.21Å; H264-T268 PolarHBondContact O-N 3.42Å; H264-T268 PolarHBondContact O-OG1 2.87Å
265	R	90.5	Very high	89.5	Confident	44 Å²	44	68.4 Å²	68.4	17%	0.166	36%	0.36	C	S	.	.	H	α-helix	trans	-61.8	-22	172.9	-65.6	-175.6	-177.5	143.7	6.9	114.1	V262 H263 H267 G269 D270 T283	V262-R265 WeakPolarHBondContact O-CB 3.46Å; V262-R265 PolarHBondContact O-N 3.1Å; H263-R265 PolarHBondContact O-N 3.08Å; H263-R265 VanDerWaalsContact O-N 3.12Å; R265-H267 VanDerWaalsContact C-N 3.31Å; R265-G269 CarbonylContact O-C 3.51Å; R265-G269 WeakPolarHBondContact O-CA 3.1Å; R265-G269 PolarHBondContact O-N 3.14Å; R265-D270 WeakPolarHBondContact CB-O 3.49Å; R265-D270 HydrophobicContact CG-CB 4.37Å; R265-D270 PolarHBondContact O-N 3.47Å; R265-T283 HydrophobicContact CB-CG2 4.14Å; R265-T283 WeakPolarHBondContact CD-O 3.33Å; R265-T283 PolarHBondContact NH1-O 2.88Å
266	L	86	Confident	89.6	Confident	114 Å²	114	74.1 Å²	74.1	60%	0.597	39%	0.389	S	S	*	.	H	α-helix	trans	-72.2	-30.2	173.9	-60	177.3	0	0	0	111.8	H263 H264 T283	H263-L266 VanDerWaalsContact O-CB 3.24Å; H263-L266 WeakPolarHBondContact O-CB 3.38Å; H263-L266 WeakPolarHBondContact O-CG 3.1Å; H263-L266 PolarHBondContact O-N 3.2Å; H264-L266 PolarHBondContact O-N 3.44Å; L266-T283 HydrophobicContact CD2-CG2 4.36Å
267	H	88.6	Confident	89.5	Confident	63 Å²	63	76 Å²	76	29%	0.292	40%	0.399	S	S	.	.	H	α-helix	trans	-80.9	-49.2	179.5	-78.1	-74.9	0	0	0	111.9	E249 C250 H263 H264 R265 G269	E249-H267 WeakPolarHBondContact OE2-CB 3.43Å; E249-H267 IonicContact OE2-CE1 3.92Å; E249-H267 IonicContact OE2-CG 3.28Å; E249-H267 IonicContact OE2-ND1 3.2Å; E249-H267 PolarHBondContact OE2-ND1 3Å; C250-H267 PolarHBondContact SG-NE2 3.5Å; H263-H267 AromaticContact CE1-NE2 3.8Å; H263-H267 AromaticContact NE2-CD2 3.7Å; H263-H267 AromaticContact NE2-NE2 3.38Å; H263-H267 PolarHBondContact NE2-NE2 3.34Å; H264-H267 WeakPolarHBondContact O-CB 3.48Å; H264-H267 PolarHBondContact O-N 3.21Å; R265-H267 VanDerWaalsContact C-N 3.31Å; H267-G269 PolarHBondContact O-N 2.87Å
268	T	88.2	Confident	89.5	Confident	96 Å²	96	75.5 Å²	75.5	59%	0.589	40%	0.395	S	S	*	.	S	Bend	trans	-72.2	-10.7	178.3	60.8	0	0	0	0	113	H264 D270	H264-T268 PolarHBondContact O-N 3.42Å; H264-T268 PolarHBondContact O-OG1 2.87Å; T268-D270 PolarHBondContact O-N 3.35Å; T268-D270 VanDerWaalsContact O-N 3.13Å; T268-D270 WeakPolarHBondContact OG1-CB 3.4Å; T268-D270 PolarHBondContact OG1-N 3.32Å
269	G	85.6	Confident	89.6	Confident	44 Å²	44	73.7 Å²	73.7	45%	0.454	39%	0.388	S	S	.	.			trans	66.7	4.9	-169.9	0	0	0	0	0	113.8	R265 H267 K271	R265-G269 CarbonylContact O-C 3.51Å; R265-G269 WeakPolarHBondContact O-CA 3.1Å; R265-G269 PolarHBondContact O-N 3.14Å; H267-G269 PolarHBondContact O-N 2.87Å; G269-K271 PolarHBondContact O-N 3.49Å
270	D	87.9	Confident	89.7	Confident	76 Å²	76	75.9 Å²	75.9	41%	0.406	39%	0.394	S	S	.	.			trans	-63	116.3	-175.2	178.2	28.2	0	0	0	111.1	R265 T268 P272	R265-D270 WeakPolarHBondContact CB-O 3.49Å; R265-D270 HydrophobicContact CG-CB 4.37Å; R265-D270 PolarHBondContact O-N 3.47Å; T268-D270 PolarHBondContact O-N 3.35Å; T268-D270 VanDerWaalsContact O-N 3.13Å; T268-D270 WeakPolarHBondContact OG1-CB 3.4Å; T268-D270 PolarHBondContact OG1-N 3.32Å; D270-P272 WeakPolarHBondContact O-CD 3.47Å; D270-P272 WeakPolarHBondContact OD1-CD 3.31Å; D270-P272 WeakPolarHBondContact OD1-CG 3.23Å; D270-P272 WeakPolarHBondContact OD2-CG 3.37Å
271	K	90.8	Very high	89.7	Confident	116 Å²	116	77 Å²	77	50%	0.504	40%	0.403	S	S	.	.			trans	-125.3	78.1	179	-69.8	166.2	-178.9	179.9	0	108.8	G269 Y273 S281 F282 T283	G269-K271 PolarHBondContact O-N 3.49Å; K271-Y273 PolarHBondContact O-N 2.81Å; K271-Y273 VanDerWaalsContact O-N 3.12Å; K271-S281 VanDerWaalsContact CB-CB 3.47Å; K271-S281 WeakPolarHBondContact CD-O 3.48Å; K271-S281 VanDerWaalsContact O-CB 3.32Å; K271-S281 WeakPolarHBondContact O-CB 3.38Å; K271-F282 CarbonylContact C-O 3.55Å; K271-F282 WeakPolarHBondContact CA-O 3.43Å; K271-T283 HydrophobicContact CG-CG2 3.86Å
272	P	89.9	Confident	89.8	Confident	66 Å²	66	72.1 Å²	72.1	43%	0.429	38%	0.382	S	S	.	.			trans	-63.9	-22.1	-173.4	-22.9	33	0	0	0	114.1	D270 K274	D270-P272 WeakPolarHBondContact O-CD 3.47Å; D270-P272 WeakPolarHBondContact OD1-CD 3.31Å; D270-P272 WeakPolarHBondContact OD1-CG 3.23Å; D270-P272 WeakPolarHBondContact OD2-CG 3.37Å; P272-K274 PolarHBondContact O-N 3.02Å
273	Y	92.6	Very high	89.8	Confident	75 Å²	75	71.3 Å²	71.3	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	89.7	-169.7	-52.8	-69.3	0	0	0	110.3	K271 S281 F282 Q284 V285	K271-Y273 PolarHBondContact O-N 2.81Å; K271-Y273 VanDerWaalsContact O-N 3.12Å; Y273-S281 CarbonylContact O-C 3.43Å; Y273-S281 WeakPolarHBondContact O-CA 3.47Å; Y273-F282 WeakPolarHBondContact CD2-O 3.42Å; Y273-F282 PolarHBondContact N-O 3.1Å; Y273-F282 PolarHBondContact O-N 3.11Å; Y273-Q284 VanDerWaalsContact CD2-C 3.41Å; Y273-V285 HydrophobicContact CD1-CB 4.46Å; Y273-V285 HydrophobicContact CD1-CG2 3.39Å; Y273-V285 HydrophobicContact CD2-CG2 4.24Å; Y273-V285 HydrophobicContact CE1-CB 4.45Å; Y273-V285 HydrophobicContact CE1-CG2 3.11Å; Y273-V285 HydrophobicContact CE2-CG2 4.02Å; Y273-V285 HydrophobicContact CG-CG2 3.94Å; Y273-V285 VanDerWaalsContact CZ-CG2 3.45Å
274	K	90.9	Very high	89.8	Confident	125 Å²	125	73.2 Å²	73.2	54%	0.543	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.5	179.1	-170.5	175.4	178.5	-175	0	111.5	P272	P272-K274 PolarHBondContact O-N 3.02Å
275	C	92.7	Very high	90	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.007	39%	0.391	C	S	.	.			trans	-80	123.3	165.6	173.8	0	0	0	0	109	E277 G279 K280 F282 L288 H291 H295	C275-E277 VanDerWaalsContact C-N 3.34Å; C275-E277 PolarHBondContact O-N 3.44Å; C275-G279 WeakPolarHBondContact O-CA 3.38Å; C275-G279 PolarHBondContact O-N 3.45Å; C275-K280 VanDerWaalsContact CB-O 3.31Å; C275-K280 WeakPolarHBondContact CB-O 3.21Å; C275-K280 PolarHBondContact N-O 3.19Å; C275-F282 HydrophobicContact CB-CE2 4.43Å; C275-L288 HydrophobicContact CB-CD1 3.62Å; C275-H291 PolarHBondContact SG-NE2 3.44Å; C275-H295 PolarHBondContact SG-NE2 3.16Å
276	N	90.2	Very high	89.9	Confident	153 Å²	153	74.1 Å²	74.1	82%	0.818	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-29	-178.1	-65.4	-12.8	0	0	0	112.9
277	E	86.8	Confident	90.2	Very high	131 Å²	131	74.7 Å²	74.7	61%	0.612	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-35.8	-175.5	-67.4	167.7	151	0	0	113.6	C275 H295	C275-E277 VanDerWaalsContact C-N 3.34Å; C275-E277 PolarHBondContact O-N 3.44Å; E277-H295 WeakPolarHBondContact OE2-CB 3.42Å; E277-H295 IonicContact OE2-CD2 3.39Å; E277-H295 PolarHBondContact OE2-CD2 3.35Å; E277-H295 IonicContact OE2-CG 2.87Å; E277-H295 IonicContact OE2-NE2 3.44Å
278	C	91.6	Very high	90.3	Very high	54 Å²	54	72.7 Å²	72.7	37%	0.365	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	3.2	-178.6	72.6	0	0	0	0	114.6	K280 H291 H295	C278-K280 PolarHBondContact O-N 2.87Å; C278-H291 VanDerWaalsContact SG-CE1 3.57Å; C278-H291 PolarHBondContact SG-NE2 2.86Å; C278-H295 PolarHBondContact SG-NE2 3Å
279	G	89.8	Confident	90.4	Very high	33 Å²	33	74.3 Å²	74.3	34%	0.34	39%	0.388	S	S	.	.			trans	70.4	-4	-179.7	0	0	0	0	0	115.9	C275 S281	C275-G279 WeakPolarHBondContact O-CA 3.38Å; C275-G279 PolarHBondContact O-N 3.45Å; G279-S281 PolarHBondContact O-N 3.31Å
280	K	91.7	Very high	90.6	Very high	123 Å²	123	74 Å²	74	54%	0.535	38%	0.378	S	S	.	.			trans	-66.5	130.8	-179.9	-71.8	-179.7	-177.1	171.7	0	111.3	C275 C278 F282	C275-K280 VanDerWaalsContact CB-O 3.31Å; C275-K280 WeakPolarHBondContact CB-O 3.21Å; C275-K280 PolarHBondContact N-O 3.19Å; C278-K280 PolarHBondContact O-N 2.87Å; K280-F282 HydrophobicContact CB-CE2 4.05Å; K280-F282 HydrophobicContact CB-CZ 4.14Å; K280-F282 WeakPolarHBondContact O-CE2 3.48Å
281	S	92.2	Very high	90.8	Very high	44 Å²	44	71.4 Å²	71.4	31%	0.308	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148	178.7	-53.6	0	0	0	0	113.2	K271 Y273 G279	K271-S281 VanDerWaalsContact CB-CB 3.47Å; K271-S281 WeakPolarHBondContact CD-O 3.48Å; K271-S281 VanDerWaalsContact O-CB 3.32Å; K271-S281 WeakPolarHBondContact O-CB 3.38Å; Y273-S281 CarbonylContact O-C 3.43Å; Y273-S281 WeakPolarHBondContact O-CA 3.47Å; G279-S281 PolarHBondContact O-N 3.31Å
282	F	91.4	Very high	90.7	Very high	44 Å²	44	69.7 Å²	69.7	19%	0.193	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.5	-176.5	-58.9	-89.2	0	0	0	111.5	K271 Y273 C275 K280 Q284 L288 H291	K271-F282 CarbonylContact C-O 3.55Å; K271-F282 WeakPolarHBondContact CA-O 3.43Å; Y273-F282 WeakPolarHBondContact CD2-O 3.42Å; Y273-F282 PolarHBondContact N-O 3.1Å; Y273-F282 PolarHBondContact O-N 3.11Å; C275-F282 HydrophobicContact CB-CE2 4.43Å; K280-F282 HydrophobicContact CB-CE2 4.05Å; K280-F282 HydrophobicContact CB-CZ 4.14Å; K280-F282 WeakPolarHBondContact O-CE2 3.48Å; F282-Q284 VanDerWaalsContact C-N 3.31Å; F282-L288 HydrophobicContact CB-CB 4.33Å; F282-L288 HydrophobicContact CD2-CB 3.83Å; F282-L288 HydrophobicContact CD2-CD1 3.71Å; F282-L288 HydrophobicContact CD2-CG 4.37Å; F282-L288 HydrophobicContact CE2-CD1 3.85Å; F282-L288 HydrophobicContact CG-CB 4.25Å; F282-H291 HydrophobicContact CE1-CB 3.91Å; F282-H291 HydrophobicContact CE2-CB 3.81Å; F282-H291 AromaticContact CE2-CD2 3.39Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.49Å; F282-H291 AromaticContact CE2-CG 3.52Å; F282-H291 AromaticContact CE2-NE2 3.97Å; F282-H291 HydrophobicContact CZ-CB 3.38Å; F282-H291 AromaticContact CZ-CD2 3.53Å; F282-H291 AromaticContact CZ-CE1 3.98Å; F282-H291 AromaticContact CZ-CG 3.15Å; F282-H291 AromaticContact CZ-ND1 3.5Å
283	T	89.7	Confident	90.7	Very high	20 Å²	20	69.5 Å²	69.5	12%	0.123	35%	0.347	C	S	.	.	S	Bend	trans	-78.1	-15.4	177.9	56.9	0	0	0	0	113.2	R265 L266 K271	R265-T283 HydrophobicContact CB-CG2 4.14Å; R265-T283 WeakPolarHBondContact CD-O 3.33Å; R265-T283 PolarHBondContact NH1-O 2.88Å; L266-T283 HydrophobicContact CD2-CG2 4.36Å; K271-T283 HydrophobicContact CG-CG2 3.86Å
284	Q	90.9	Very high	90.6	Very high	58 Å²	58	69.7 Å²	69.7	27%	0.271	35%	0.353	S	S	.	.	S	Bend	trans	-141.8	144	-179.2	-60.9	-177.9	50.5	0	0	111.4	V262 Y273 F282 S286 Y287 L288	V262-Q284 HydrophobicContact CG1-CG 3.62Å; V262-Q284 VanDerWaalsContact CG1-NE2 3.3Å; Y273-Q284 VanDerWaalsContact CD2-C 3.41Å; F282-Q284 VanDerWaalsContact C-N 3.31Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 2.81Å; Q284-Y287 HydrophobicContact CB-CD2 3.86Å; Q284-Y287 HydrophobicContact CB-CE2 4.21Å; Q284-Y287 HydrophobicContact CB-CG 4.35Å; Q284-Y287 HydrophobicContact CG-CD2 4.25Å; Q284-Y287 HydrophobicContact CG-CE2 4.15Å; Q284-Y287 PolarHBondContact O-N 3.15Å; Q284-L288 PolarHBondContact O-N 3.47Å
285	V	91.1	Very high	90.6	Very high	61 Å²	61	67 Å²	67	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-40.1	177.5	176.8	0	0	0	0	112.1	Y273 Y287 L288 K289	Y273-V285 HydrophobicContact CD1-CB 4.46Å; Y273-V285 HydrophobicContact CD1-CG2 3.39Å; Y273-V285 HydrophobicContact CD2-CG2 4.24Å; Y273-V285 HydrophobicContact CE1-CB 4.45Å; Y273-V285 HydrophobicContact CE1-CG2 3.11Å; Y273-V285 HydrophobicContact CE2-CG2 4.02Å; Y273-V285 HydrophobicContact CG-CG2 3.94Å; Y273-V285 VanDerWaalsContact CZ-CG2 3.45Å; V285-Y287 VanDerWaalsContact C-N 3.25Å; V285-Y287 PolarHBondContact O-N 3.35Å; V285-L288 WeakPolarHBondContact O-CB 3.41Å; V285-L288 PolarHBondContact O-N 3.4Å; V285-L288 VanDerWaalsContact O-N 3.16Å; V285-K289 HydrophobicContact CG1-CD 4.21Å; V285-K289 HydrophobicContact CG1-CG 4.17Å; V285-K289 WeakPolarHBondContact O-CG 3.13Å; V285-K289 PolarHBondContact O-N 3.39Å
286	S	89.4	Confident	90.3	Very high	59 Å²	59	71.5 Å²	71.5	41%	0.413	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-37.8	-179.5	50.9	0	0	0	0	112	Q284 K289 V290	Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 2.81Å; S286-K289 PolarHBondContact O-N 3.17Å; S286-V290 VanDerWaalsContact O-CG2 3.32Å; S286-V290 WeakPolarHBondContact O-CG2 3.11Å; S286-V290 PolarHBondContact O-N 3.11Å; S286-V290 VanDerWaalsContact O-N 3.11Å
287	Y	91.6	Very high	90.2	Very high	127 Å²	127	66.2 Å²	66.2	50%	0.498	35%	0.352	S	S	.	.	H	α-helix	trans	-71.1	-38.7	175.9	-60	-28.6	0	0	0	112.3	Q284 V285 V290 H291	Q284-Y287 HydrophobicContact CB-CD2 3.86Å; Q284-Y287 HydrophobicContact CB-CE2 4.21Å; Q284-Y287 HydrophobicContact CB-CG 4.35Å; Q284-Y287 HydrophobicContact CG-CD2 4.25Å; Q284-Y287 HydrophobicContact CG-CE2 4.15Å; Q284-Y287 PolarHBondContact O-N 3.15Å; V285-Y287 VanDerWaalsContact C-N 3.25Å; V285-Y287 PolarHBondContact O-N 3.35Å; Y287-V290 PolarHBondContact O-N 2.86Å; Y287-H291 VanDerWaalsContact O-CB 3.27Å; Y287-H291 WeakPolarHBondContact O-CB 3.25Å; Y287-H291 PolarHBondContact O-N 3.3Å
288	L	91.6	Very high	90.2	Very high	20 Å²	20	63.9 Å²	63.9	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-47.9	171.5	174.1	62.8	0	0	0	111.2	C275 F282 Q284 V285 V290 H291 Q292	C275-L288 HydrophobicContact CB-CD1 3.62Å; F282-L288 HydrophobicContact CB-CB 4.33Å; F282-L288 HydrophobicContact CD2-CB 3.83Å; F282-L288 HydrophobicContact CD2-CD1 3.71Å; F282-L288 HydrophobicContact CD2-CG 4.37Å; F282-L288 HydrophobicContact CE2-CD1 3.85Å; F282-L288 HydrophobicContact CG-CB 4.25Å; Q284-L288 PolarHBondContact O-N 3.47Å; V285-L288 WeakPolarHBondContact O-CB 3.41Å; V285-L288 PolarHBondContact O-N 3.4Å; V285-L288 VanDerWaalsContact O-N 3.16Å; L288-V290 VanDerWaalsContact C-N 3.32Å; L288-V290 PolarHBondContact O-N 3.15Å; L288-H291 CarbonylContact O-C 3.34Å; L288-H291 WeakPolarHBondContact O-CA 3.38Å; L288-H291 WeakPolarHBondContact O-CB 3.48Å; L288-H291 PolarHBondContact O-N 3.44Å; L288-Q292 HydrophobicContact CD1-CG 4.06Å; L288-Q292 HydrophobicContact CG-CG 4.34Å; L288-Q292 WeakPolarHBondContact O-CG 3.49Å; L288-Q292 PolarHBondContact O-N 3.18Å
289	K	89.9	Confident	90.1	Very high	130 Å²	130	65.7 Å²	65.7	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-57.9	-43.7	178.8	-74.6	-174.7	175.6	-171	0	112.5	V285 S286 H291 Q292	V285-K289 HydrophobicContact CG1-CD 4.21Å; V285-K289 HydrophobicContact CG1-CG 4.17Å; V285-K289 WeakPolarHBondContact O-CG 3.13Å; V285-K289 PolarHBondContact O-N 3.39Å; S286-K289 PolarHBondContact O-N 3.17Å; K289-H291 VanDerWaalsContact C-N 3.32Å; K289-Q292 PolarHBondContact O-N 3.11Å
290	V	89.8	Confident	90.1	Very high	39 Å²	39	66.9 Å²	66.9	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-69	-34.5	176.9	174	0	0	0	0	111.2	S286 Y287 L288 R293 Q312	S286-V290 VanDerWaalsContact O-CG2 3.32Å; S286-V290 WeakPolarHBondContact O-CG2 3.11Å; S286-V290 PolarHBondContact O-N 3.11Å; S286-V290 VanDerWaalsContact O-N 3.11Å; Y287-V290 PolarHBondContact O-N 2.86Å; L288-V290 VanDerWaalsContact C-N 3.32Å; L288-V290 PolarHBondContact O-N 3.15Å; V290-R293 WeakPolarHBondContact O-CB 3.37Å; V290-Q312 HydrophobicContact CG1-CG 3.59Å
291	H	91.5	Very high	90.1	Very high	20 Å²	20	64.8 Å²	64.8	9%	0.093	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-43.5	174	165.5	77.8	0	0	0	112.4	C275 C278 F282 Y287 L288 K289 R293 I294 H295	C275-H291 PolarHBondContact SG-NE2 3.44Å; C278-H291 VanDerWaalsContact SG-CE1 3.57Å; C278-H291 PolarHBondContact SG-NE2 2.86Å; F282-H291 HydrophobicContact CE1-CB 3.91Å; F282-H291 HydrophobicContact CE2-CB 3.81Å; F282-H291 AromaticContact CE2-CD2 3.39Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.49Å; F282-H291 AromaticContact CE2-CG 3.52Å; F282-H291 AromaticContact CE2-NE2 3.97Å; F282-H291 HydrophobicContact CZ-CB 3.38Å; F282-H291 AromaticContact CZ-CD2 3.53Å; F282-H291 AromaticContact CZ-CE1 3.98Å; F282-H291 AromaticContact CZ-CG 3.15Å; F282-H291 AromaticContact CZ-ND1 3.5Å; Y287-H291 VanDerWaalsContact O-CB 3.27Å; Y287-H291 WeakPolarHBondContact O-CB 3.25Å; Y287-H291 PolarHBondContact O-N 3.3Å; L288-H291 CarbonylContact O-C 3.34Å; L288-H291 WeakPolarHBondContact O-CA 3.38Å; L288-H291 WeakPolarHBondContact O-CB 3.48Å; L288-H291 PolarHBondContact O-N 3.44Å; K289-H291 VanDerWaalsContact C-N 3.32Å; H291-R293 PolarHBondContact O-N 3.46Å; H291-I294 WeakPolarHBondContact CE1-CD1 3.09Å; H291-I294 WeakPolarHBondContact ND1-CD1 3.45Å; H291-I294 WeakPolarHBondContact O-CB 3.39Å; H291-I294 WeakPolarHBondContact O-CG1 3.17Å; H291-I294 WeakPolarHBondContact O-CG2 3.28Å; H291-I294 PolarHBondContact O-N 3.25Å; H291-H295 AromaticContact CD2-NE2 3.97Å; H291-H295 AromaticContact CE1-NE2 3.65Å; H291-H295 AromaticContact NE2-NE2 3.16Å; H291-H295 PolarHBondContact NE2-NE2 2.84Å; H291-H295 VanDerWaalsContact NE2-NE2 3.16Å
292	Q	89.9	Confident	90	Very high	80 Å²	80	69.4 Å²	69.4	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-56	-27.3	179.7	-75.8	173.8	-51.6	0	0	112.9	L288 K289 I294 H295 T296	L288-Q292 HydrophobicContact CD1-CG 4.06Å; L288-Q292 HydrophobicContact CG-CG 4.34Å; L288-Q292 WeakPolarHBondContact O-CG 3.49Å; L288-Q292 PolarHBondContact O-N 3.18Å; K289-Q292 PolarHBondContact O-N 3.11Å; Q292-I294 PolarHBondContact O-N 3.03Å; Q292-I294 VanDerWaalsContact O-N 3.13Å; Q292-H295 PolarHBondContact O-N 3.27Å; Q292-T296 PolarHBondContact O-N 3.15Å
293	R	90.6	Very high	90	Very high	62 Å²	62	68 Å²	68	23%	0.234	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-25.2	173.6	-61.6	-178.4	178.7	175.2	-6.2	113.8	V290 H291 H295 T296 G297 D298 F311	V290-R293 WeakPolarHBondContact O-CB 3.37Å; H291-R293 PolarHBondContact O-N 3.46Å; R293-H295 VanDerWaalsContact C-N 3.27Å; R293-H295 PolarHBondContact O-N 3.3Å; R293-T296 WeakPolarHBondContact CA-OG1 3.37Å; R293-T296 PolarHBondContact O-OG1 3.27Å; R293-G297 CarbonylContact O-C 3.37Å; R293-G297 WeakPolarHBondContact O-CA 3.46Å; R293-G297 PolarHBondContact O-N 3.13Å; R293-D298 PolarHBondContact O-N 3.29Å; R293-F311 HydrophobicContact CB-CD1 3.6Å; R293-F311 HydrophobicContact CB-CE1 4.15Å; R293-F311 HydrophobicContact CB-CG 4.49Å; R293-F311 PolarHBondContact NH1-O 3.1Å; R293-F311 WeakPolarHBondContact O-CE1 3.39Å
294	I	89.5	Confident	89.9	Confident	79 Å²	79	74.9 Å²	74.9	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-68.4	-29.9	177.2	80.2	-176.2	0	0	0	112.2	H291 Q292 F311	H291-I294 WeakPolarHBondContact CE1-CD1 3.09Å; H291-I294 WeakPolarHBondContact ND1-CD1 3.45Å; H291-I294 WeakPolarHBondContact O-CB 3.39Å; H291-I294 WeakPolarHBondContact O-CG1 3.17Å; H291-I294 WeakPolarHBondContact O-CG2 3.28Å; H291-I294 PolarHBondContact O-N 3.25Å; Q292-I294 PolarHBondContact O-N 3.03Å; Q292-I294 VanDerWaalsContact O-N 3.13Å; I294-F311 HydrophobicContact CG2-CE2 4.38Å; I294-F311 HydrophobicContact CG2-CZ 4.43Å
295	H	90	Very high	89.7	Confident	70 Å²	70	77.2 Å²	77.2	32%	0.324	39%	0.393	S	S	.	.	H	α-helix	trans	-84.4	-40.8	-178.7	-57.1	-54.5	0	0	0	110.8	C275 E277 C278 H291 Q292 R293 G297	C275-H295 PolarHBondContact SG-NE2 3.16Å; E277-H295 WeakPolarHBondContact OE2-CB 3.42Å; E277-H295 IonicContact OE2-CD2 3.39Å; E277-H295 PolarHBondContact OE2-CD2 3.35Å; E277-H295 IonicContact OE2-CG 2.87Å; E277-H295 IonicContact OE2-NE2 3.44Å; C278-H295 PolarHBondContact SG-NE2 3Å; H291-H295 AromaticContact CD2-NE2 3.97Å; H291-H295 AromaticContact CE1-NE2 3.65Å; H291-H295 AromaticContact NE2-NE2 3.16Å; H291-H295 PolarHBondContact NE2-NE2 2.84Å; H291-H295 VanDerWaalsContact NE2-NE2 3.16Å; Q292-H295 PolarHBondContact O-N 3.27Å; R293-H295 VanDerWaalsContact C-N 3.27Å; R293-H295 PolarHBondContact O-N 3.3Å; H295-G297 PolarHBondContact O-N 3.41Å
296	T	88.2	Confident	89.6	Confident	94 Å²	94	76.1 Å²	76.1	58%	0.577	39%	0.387	S	S	*	.	H	α-helix	trans	-71.8	-14.4	173.8	64.6	0	0	0	0	113	Q292 R293 D298	Q292-T296 PolarHBondContact O-N 3.15Å; R293-T296 WeakPolarHBondContact CA-OG1 3.37Å; R293-T296 PolarHBondContact O-OG1 3.27Å; T296-D298 PolarHBondContact O-N 3.05Å; T296-D298 VanDerWaalsContact O-N 3.11Å; T296-D298 VanDerWaalsContact OG1-CB 3.22Å; T296-D298 WeakPolarHBondContact OG1-CB 3.42Å; T296-D298 PolarHBondContact OG1-N 3.31Å
297	G	86.3	Confident	89.5	Confident	43 Å²	43	82.6 Å²	82.6	44%	0.443	41%	0.411	S	S	.	.			trans	67.7	2.3	-171.3	0	0	0	0	0	114	R293 H295 K299	R293-G297 CarbonylContact O-C 3.37Å; R293-G297 WeakPolarHBondContact O-CA 3.46Å; R293-G297 PolarHBondContact O-N 3.13Å; H295-G297 PolarHBondContact O-N 3.41Å; G297-K299 PolarHBondContact O-N 3.22Å
298	D	87.4	Confident	89.5	Confident	81 Å²	81	82.7 Å²	82.7	43%	0.433	41%	0.414	S	S	.	.			trans	-65.9	115.2	-174.9	177.2	26.9	0	0	0	110.8	R293 T296 P300 F311	R293-D298 PolarHBondContact O-N 3.29Å; T296-D298 PolarHBondContact O-N 3.05Å; T296-D298 VanDerWaalsContact O-N 3.11Å; T296-D298 VanDerWaalsContact OG1-CB 3.22Å; T296-D298 WeakPolarHBondContact OG1-CB 3.42Å; T296-D298 PolarHBondContact OG1-N 3.31Å; D298-P300 WeakPolarHBondContact O-CD 3.18Å; D298-P300 WeakPolarHBondContact OD1-CD 3.38Å; D298-P300 WeakPolarHBondContact OD2-CG 3.38Å; D298-F311 WeakPolarHBondContact O-CD1 3.5Å; D298-F311 WeakPolarHBondContact O-CE1 3.46Å
299	K	90.1	Very high	89.4	Confident	92 Å²	92	83.3 Å²	83.3	40%	0.4	42%	0.42	S	S	.	.			trans	-119.4	79.3	178.8	-70.6	164	175.9	178.2	0	109.2	G297 Y301 S309 F310 F311	G297-K299 PolarHBondContact O-N 3.22Å; K299-Y301 PolarHBondContact O-N 2.79Å; K299-Y301 VanDerWaalsContact O-N 3.09Å; K299-S309 VanDerWaalsContact CB-CB 3.48Å; K299-S309 WeakPolarHBondContact CD-O 3.45Å; K299-F310 CarbonylContact C-O 3.53Å; K299-F311 HydrophobicContact CD-CE1 4.4Å; K299-F311 HydrophobicContact CD-CZ 4.31Å; K299-F311 VanDerWaalsContact CE-CZ 3.5Å; K299-F311 HydrophobicContact CG-CD1 3.76Å; K299-F311 HydrophobicContact CG-CE1 3.49Å; K299-F311 VanDerWaalsContact CG-CE1 3.49Å; K299-F311 HydrophobicContact CG-CE2 4.37Å; K299-F311 HydrophobicContact CG-CG 4.3Å; K299-F311 HydrophobicContact CG-CZ 3.85Å
300	P	89.5	Confident	89.5	Confident	58 Å²	58	79.1 Å²	79.1	38%	0.377	40%	0.402	S	S	.	.			trans	-62.1	-24.2	-171.9	-24.9	33.7	0	0	0	114.3	D298 K302	D298-P300 WeakPolarHBondContact O-CD 3.18Å; D298-P300 WeakPolarHBondContact OD1-CD 3.38Å; D298-P300 WeakPolarHBondContact OD2-CG 3.38Å; P300-K302 PolarHBondContact O-N 3.4Å
301	Y	91.8	Very high	89.5	Confident	79 Å²	79	80 Å²	80	31%	0.31	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	88.2	-172.9	-53.1	-71.4	0	0	0	110	K299 S309 F310 Y313	K299-Y301 PolarHBondContact O-N 2.79Å; K299-Y301 VanDerWaalsContact O-N 3.09Å; Y301-S309 CarbonylContact O-C 3.55Å; Y301-S309 WeakPolarHBondContact O-CA 3.46Å; Y301-F310 WeakPolarHBondContact CD2-O 3.39Å; Y301-F310 PolarHBondContact N-O 3.47Å; Y301-F310 PolarHBondContact O-N 2.89Å; Y301-Y313 AromaticContact CD1-CD2 3.9Å; Y301-Y313 HydrophobicContact CD1-CD2 3.9Å; Y301-Y313 HydrophobicContact CD1-CG 4.39Å; Y301-Y313 HydrophobicContact CE1-CD2 4.23Å; Y301-Y313 HydrophobicContact CE1-CG 4.41Å; Y301-Y313 VanDerWaalsContact CE2-N 3.27Å
302	K	89.2	Confident	89.4	Confident	142 Å²	142	82.4 Å²	82.4	62%	0.617	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.8	176.8	-50.1	-163.5	176.4	175.4	0	110.7	P300 S309 L316	P300-K302 PolarHBondContact O-N 3.4Å; K302-S309 WeakPolarHBondContact CG-OG 3.49Å; K302-L316 WeakPolarHBondContact O-CD2 3.39Å
303	C	91.4	Very high	89.4	Confident	13 Å²	13	85.4 Å²	85.4	9%	0.088	42%	0.423	C	S	.	.			trans	-80.8	138.3	166.3	-174.4	0	0	0	0	108.7	C306 K308 L316	C303-C306 CarbonylContact C-O 3.39Å; C303-C306 WeakPolarHBondContact CB-O 3.48Å; C303-K308 WeakPolarHBondContact CB-O 3.46Å; C303-K308 PolarHBondContact N-O 3.41Å; C303-L316 HydrophobicContact CB-CD1 3.76Å
304	N	88.4	Confident	89.4	Confident	165 Å²	165	85.1 Å²	85.1	88%	0.882	43%	0.43	S	S	*	.	S	Bend	trans	-84.6	-19.3	178.3	-64.9	-6.9	0	0	0	112.2
305	E	86.1	Confident	89.4	Confident	107 Å²	107	85.6 Å²	85.6	50%	0.5	43%	0.431	S	S	.	.	S	Bend	trans	-94.9	-12.3	-178.8	-63.7	-179	-127.8	0	0	113.3	H320 H323	E305-H320 IonicContact OE1-CE1 3.99Å; E305-H320 PolarHBondContact OE1-CE1 2.91Å; E305-H320 IonicContact OE1-ND1 3.19Å; E305-H320 PolarHBondContact OE1-ND1 3.42Å; E305-H323 WeakPolarHBondContact CB-ND1 3.39Å; E305-H323 WeakPolarHBondContact OE2-CB 3.42Å; E305-H323 IonicContact OE2-CG 3.27Å; E305-H323 VanDerWaalsContact OE2-CG 3.26Å; E305-H323 IonicContact OE2-ND1 3.03Å; E305-H323 PolarHBondContact OE2-ND1 3.02Å; E305-H323 VanDerWaalsContact OE2-ND1 3.12Å
306	C	90.3	Very high	89.5	Confident	39 Å²	39	83.4 Å²	83.4	26%	0.264	42%	0.421	S	S	.	.	S	Bend	trans	-152.1	162.1	169.2	72.6	0	0	0	0	111.1	C303 K308 H319 H323	C303-C306 CarbonylContact C-O 3.39Å; C303-C306 WeakPolarHBondContact CB-O 3.48Å; C306-K308 PolarHBondContact O-N 3.11Å; C306-H319 PolarHBondContact SG-NE2 2.98Å; C306-H323 PolarHBondContact SG-NE2 3.27Å; C306-H323 VanDerWaalsContact SG-NE2 3.43Å
307	E	87.1	Confident	89.6	Confident	195 Å²	195	84.8 Å²	84.8	91%	0.911	42%	0.419	S	S	*	.	S	Bend	trans	-68.3	5.3	-176.8	-60.6	175.3	179.8	0	0	114.6
308	K	90.9	Very high	89.6	Confident	129 Å²	129	85.1 Å²	85.1	56%	0.561	41%	0.41	S	S	*	.			trans	-76.7	131.3	-178	-67.7	179.9	179.5	171.7	0	111.2	C303 C306 F310	C303-K308 WeakPolarHBondContact CB-O 3.46Å; C303-K308 PolarHBondContact N-O 3.41Å; C306-K308 PolarHBondContact O-N 3.11Å; K308-F310 HydrophobicContact CB-CE2 4Å; K308-F310 HydrophobicContact CB-CZ 4.02Å
309	S	90.7	Very high	89.8	Confident	32 Å²	32	82 Å²	82	22%	0.224	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.2	177.2	-53.5	0	0	0	0	111.1	K299 Y301 K302	K299-S309 VanDerWaalsContact CB-CB 3.48Å; K299-S309 WeakPolarHBondContact CD-O 3.45Å; Y301-S309 CarbonylContact O-C 3.55Å; Y301-S309 WeakPolarHBondContact O-CA 3.46Å; K302-S309 WeakPolarHBondContact CG-OG 3.49Å
310	F	90.8	Very high	89.7	Confident	43 Å²	43	81.5 Å²	81.5	19%	0.189	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.4	-172.9	-57.8	-90.6	0	0	0	112.7	K299 Y301 K308 Q312 H315 L316 H319	K299-F310 CarbonylContact C-O 3.53Å; Y301-F310 WeakPolarHBondContact CD2-O 3.39Å; Y301-F310 PolarHBondContact N-O 3.47Å; Y301-F310 PolarHBondContact O-N 2.89Å; K308-F310 HydrophobicContact CB-CE2 4Å; K308-F310 HydrophobicContact CB-CZ 4.02Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 3.15Å; F310-H315 HydrophobicContact CB-CB 4.2Å; F310-H315 HydrophobicContact CD1-CB 3.94Å; F310-H315 HydrophobicContact CG-CB 4.3Å; F310-L316 HydrophobicContact CB-CB 4.37Å; F310-L316 HydrophobicContact CD2-CB 3.85Å; F310-L316 HydrophobicContact CD2-CD1 3.73Å; F310-L316 HydrophobicContact CD2-CG 4.4Å; F310-L316 HydrophobicContact CE2-CD1 3.87Å; F310-L316 HydrophobicContact CG-CB 4.3Å; F310-H319 HydrophobicContact CE1-CB 3.98Å; F310-H319 HydrophobicContact CE2-CB 3.79Å; F310-H319 AromaticContact CE2-CD2 3.3Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.4Å; F310-H319 AromaticContact CE2-CG 3.54Å; F310-H319 AromaticContact CE2-NE2 3.99Å; F310-H319 HydrophobicContact CZ-CB 3.39Å; F310-H319 AromaticContact CZ-CD2 3.43Å; F310-H319 VanDerWaalsContact CZ-CD2 3.43Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.46Å; F310-H319 AromaticContact CZ-CG 3.18Å; F310-H319 AromaticContact CZ-ND1 3.69Å; F310-H319 AromaticContact CZ-NE2 3.99Å
311	F	89.4	Confident	89.7	Confident	56 Å²	56	80.9 Å²	80.9	25%	0.246	38%	0.382	C	S	.	.	S	Bend	trans	-72.5	-21.3	176.1	-61.9	-65.1	0	0	0	114	R293 I294 D298 K299	R293-F311 HydrophobicContact CB-CD1 3.6Å; R293-F311 HydrophobicContact CB-CE1 4.15Å; R293-F311 HydrophobicContact CB-CG 4.49Å; R293-F311 PolarHBondContact NH1-O 3.1Å; R293-F311 WeakPolarHBondContact O-CE1 3.39Å; I294-F311 HydrophobicContact CG2-CE2 4.38Å; I294-F311 HydrophobicContact CG2-CZ 4.43Å; D298-F311 WeakPolarHBondContact O-CD1 3.5Å; D298-F311 WeakPolarHBondContact O-CE1 3.46Å; K299-F311 HydrophobicContact CD-CE1 4.4Å; K299-F311 HydrophobicContact CD-CZ 4.31Å; K299-F311 VanDerWaalsContact CE-CZ 3.5Å; K299-F311 HydrophobicContact CG-CD1 3.76Å; K299-F311 HydrophobicContact CG-CE1 3.49Å; K299-F311 VanDerWaalsContact CG-CE1 3.49Å; K299-F311 HydrophobicContact CG-CE2 4.37Å; K299-F311 HydrophobicContact CG-CG 4.3Å; K299-F311 HydrophobicContact CG-CZ 3.85Å
312	Q	90	Very high	89.4	Confident	72 Å²	72	82.8 Å²	82.8	34%	0.336	40%	0.397	S	S	.	.	S	Bend	trans	-136.7	140.2	-177.1	-62.9	-177.6	23.4	0	0	111	V290 F310 S314 H315 L316	V290-Q312 HydrophobicContact CG1-CG 3.59Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 3.15Å; Q312-S314 VanDerWaalsContact C-N 3.29Å; Q312-S314 PolarHBondContact O-N 3.15Å; Q312-S314 PolarHBondContact OE1-OG 3.38Å; Q312-H315 WeakPolarHBondContact O-CB 3.33Å; Q312-H315 PolarHBondContact O-N 3.38Å; Q312-H315 VanDerWaalsContact O-N 3.12Å; Q312-L316 PolarHBondContact O-N 3.25Å
313	Y	90.9	Very high	89.4	Confident	142 Å²	142	79.1 Å²	79.1	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-61	-36.6	178.7	-178.5	-108.1	0	0	0	112.9	Y301 H315 L316 K317	Y301-Y313 AromaticContact CD1-CD2 3.9Å; Y301-Y313 HydrophobicContact CD1-CD2 3.9Å; Y301-Y313 HydrophobicContact CD1-CG 4.39Å; Y301-Y313 HydrophobicContact CE1-CD2 4.23Å; Y301-Y313 HydrophobicContact CE1-CG 4.41Å; Y301-Y313 VanDerWaalsContact CE2-N 3.27Å; Y313-H315 VanDerWaalsContact C-N 3.26Å; Y313-H315 PolarHBondContact O-N 3.49Å; Y313-L316 HydrophobicContact CD2-CD2 4.42Å; Y313-L316 WeakPolarHBondContact O-CB 3.38Å; Y313-L316 PolarHBondContact O-N 2.78Å; Y313-K317 PolarHBondContact O-N 2.9Å
314	S	88.8	Confident	89.3	Confident	56 Å²	56	82 Å²	82	39%	0.392	40%	0.4	S	S	.	.	H	α-helix	trans	-59.5	-36.6	176	55.2	0	0	0	0	112.5	Q312 K317 I318	Q312-S314 VanDerWaalsContact C-N 3.29Å; Q312-S314 PolarHBondContact O-N 3.15Å; Q312-S314 PolarHBondContact OE1-OG 3.38Å; S314-K317 PolarHBondContact O-N 3.07Å; S314-I318 VanDerWaalsContact O-CG1 3.29Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.41Å
315	H	91.5	Very high	89.1	Confident	90 Å²	90	76.3 Å²	76.3	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-71.2	-40.8	176.7	-62.8	166.7	0	0	0	111.5	F310 Q312 Y313 I318 H319	F310-H315 HydrophobicContact CB-CB 4.2Å; F310-H315 HydrophobicContact CD1-CB 3.94Å; F310-H315 HydrophobicContact CG-CB 4.3Å; Q312-H315 WeakPolarHBondContact O-CB 3.33Å; Q312-H315 PolarHBondContact O-N 3.38Å; Q312-H315 VanDerWaalsContact O-N 3.12Å; Y313-H315 VanDerWaalsContact C-N 3.26Å; Y313-H315 PolarHBondContact O-N 3.49Å; H315-I318 PolarHBondContact O-N 2.82Å; H315-H319 WeakPolarHBondContact O-CB 3.35Å; H315-H319 PolarHBondContact O-N 3.44Å
316	L	91.5	Very high	89.3	Confident	24 Å²	24	74.8 Å²	74.8	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-46.3	171.2	174.8	64.6	0	0	0	111	K302 C303 F310 Q312 Y313 I318 H319 H320	K302-L316 WeakPolarHBondContact O-CD2 3.39Å; C303-L316 HydrophobicContact CB-CD1 3.76Å; F310-L316 HydrophobicContact CB-CB 4.37Å; F310-L316 HydrophobicContact CD2-CB 3.85Å; F310-L316 HydrophobicContact CD2-CD1 3.73Å; F310-L316 HydrophobicContact CD2-CG 4.4Å; F310-L316 HydrophobicContact CE2-CD1 3.87Å; F310-L316 HydrophobicContact CG-CB 4.3Å; Q312-L316 PolarHBondContact O-N 3.25Å; Y313-L316 HydrophobicContact CD2-CD2 4.42Å; Y313-L316 WeakPolarHBondContact O-CB 3.38Å; Y313-L316 PolarHBondContact O-N 2.78Å; L316-I318 VanDerWaalsContact C-N 3.32Å; L316-I318 PolarHBondContact O-N 3.13Å; L316-H319 CarbonylContact O-C 3.58Å; L316-H319 WeakPolarHBondContact O-CA 3.46Å; L316-H319 WeakPolarHBondContact O-CB 3.47Å; L316-H319 PolarHBondContact O-N 2.89Å; L316-H320 PolarHBondContact O-N 2.9Å
317	K	88.9	Confident	89.3	Confident	123 Å²	123	78.5 Å²	78.5	54%	0.535	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-41	178.8	-172.8	173.4	-175.4	172.2	0	112.5	Y313 S314 H319	Y313-K317 PolarHBondContact O-N 2.9Å; S314-K317 PolarHBondContact O-N 3.07Å; K317-H319 VanDerWaalsContact C-N 3.32Å
318	I	88.3	Confident	89.5	Confident	50 Å²	50	72.3 Å²	72.3	26%	0.256	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-36.4	174.5	-67.9	165.9	0	0	0	110.8	S314 H315 L316 R321 R340	S314-I318 VanDerWaalsContact O-CG1 3.29Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.41Å; H315-I318 PolarHBondContact O-N 2.82Å; L316-I318 VanDerWaalsContact C-N 3.32Å; L316-I318 PolarHBondContact O-N 3.13Å; I318-R321 WeakPolarHBondContact O-CB 3.39Å; I318-R321 PolarHBondContact O-N 3.03Å; I318-R340 HydrophobicContact CG2-CG 3.86Å
319	H	90.3	Very high	89.6	Confident	15 Å²	15	69.8 Å²	69.8	7%	0.069	35%	0.351	C	S	.	.	H	α-helix	trans	-68.1	-41	177.5	168.9	66.6	0	0	0	112.7	C306 F310 H315 L316 K317 R321 L322 H323	C306-H319 PolarHBondContact SG-NE2 2.98Å; F310-H319 HydrophobicContact CE1-CB 3.98Å; F310-H319 HydrophobicContact CE2-CB 3.79Å; F310-H319 AromaticContact CE2-CD2 3.3Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.4Å; F310-H319 AromaticContact CE2-CG 3.54Å; F310-H319 AromaticContact CE2-NE2 3.99Å; F310-H319 HydrophobicContact CZ-CB 3.39Å; F310-H319 AromaticContact CZ-CD2 3.43Å; F310-H319 VanDerWaalsContact CZ-CD2 3.43Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.46Å; F310-H319 AromaticContact CZ-CG 3.18Å; F310-H319 AromaticContact CZ-ND1 3.69Å; F310-H319 AromaticContact CZ-NE2 3.99Å; H315-H319 WeakPolarHBondContact O-CB 3.35Å; H315-H319 PolarHBondContact O-N 3.44Å; L316-H319 CarbonylContact O-C 3.58Å; L316-H319 WeakPolarHBondContact O-CA 3.46Å; L316-H319 WeakPolarHBondContact O-CB 3.47Å; L316-H319 PolarHBondContact O-N 2.89Å; K317-H319 VanDerWaalsContact C-N 3.32Å; H319-R321 PolarHBondContact O-N 3.4Å; H319-R321 VanDerWaalsContact O-N 3.16Å; H319-L322 WeakPolarHBondContact O-CB 3.45Å; H319-L322 WeakPolarHBondContact O-CG 3.42Å; H319-L322 PolarHBondContact O-N 3.5Å; H319-H323 AromaticContact CE1-NE2 3.67Å; H319-H323 AromaticContact NE2-CD2 3.8Å; H319-H323 AromaticContact NE2-NE2 3.37Å; H319-H323 PolarHBondContact NE2-NE2 2.87Å
320	H	87.7	Confident	89.6	Confident	82 Å²	82	74.1 Å²	74.1	38%	0.38	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-27.5	177.9	-176.5	65.6	0	0	0	112.6	E305 L316 L322 H323 T324	E305-H320 IonicContact OE1-CE1 3.99Å; E305-H320 PolarHBondContact OE1-CE1 2.91Å; E305-H320 IonicContact OE1-ND1 3.19Å; E305-H320 PolarHBondContact OE1-ND1 3.42Å; L316-H320 PolarHBondContact O-N 2.9Å; H320-L322 PolarHBondContact O-N 2.86Å; H320-L322 VanDerWaalsContact O-N 3.16Å; H320-H323 WeakPolarHBondContact O-CB 3.44Å; H320-H323 PolarHBondContact O-N 3.37Å; H320-T324 WeakPolarHBondContact NE2-CG2 3.17Å; H320-T324 PolarHBondContact O-N 3.1Å; H320-T324 VanDerWaalsContact O-N 3.08Å; H320-T324 PolarHBondContact O-OG1 2.8Å
321	R	90.3	Very high	89.7	Confident	44 Å²	44	72.1 Å²	72.1	17%	0.166	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-21.6	170.5	-66.9	-179.2	178.9	158.3	1.6	114.5	I318 H319 H323 G325 D326 T339	I318-R321 WeakPolarHBondContact O-CB 3.39Å; I318-R321 PolarHBondContact O-N 3.03Å; H319-R321 PolarHBondContact O-N 3.4Å; H319-R321 VanDerWaalsContact O-N 3.16Å; R321-H323 VanDerWaalsContact C-N 3.32Å; R321-G325 CarbonylContact O-C 3.56Å; R321-G325 WeakPolarHBondContact O-CA 3.38Å; R321-G325 PolarHBondContact O-N 2.84Å; R321-D326 WeakPolarHBondContact CB-O 3.47Å; R321-D326 HydrophobicContact CG-CB 4.35Å; R321-D326 IonicContact NE-OD2 3Å; R321-D326 PolarHBondContact O-N 3.16Å; R321-T339 HydrophobicContact CB-CG2 4.21Å; R321-T339 WeakPolarHBondContact CD-O 3.49Å; R321-T339 PolarHBondContact NH1-O 3.42Å
322	L	86.2	Confident	89.8	Confident	119 Å²	119	76.7 Å²	76.7	62%	0.623	38%	0.384	S	S	*	.	H	α-helix	trans	-72.5	-31.1	174.1	-59.9	176.1	0	0	0	111.5	H319 H320 T339	H319-L322 WeakPolarHBondContact O-CB 3.45Å; H319-L322 WeakPolarHBondContact O-CG 3.42Å; H319-L322 PolarHBondContact O-N 3.5Å; H320-L322 PolarHBondContact O-N 2.86Å; H320-L322 VanDerWaalsContact O-N 3.16Å; L322-T339 HydrophobicContact CD2-CG2 4.39Å
323	H	88.8	Confident	89.7	Confident	65 Å²	65	79.5 Å²	79.5	30%	0.301	40%	0.397	S	S	.	.	H	α-helix	trans	-78.8	-50.8	178.2	-75.6	-79.3	0	0	0	111.9	E305 C306 H319 H320 R321 G325	E305-H323 WeakPolarHBondContact CB-ND1 3.39Å; E305-H323 WeakPolarHBondContact OE2-CB 3.42Å; E305-H323 IonicContact OE2-CG 3.27Å; E305-H323 VanDerWaalsContact OE2-CG 3.26Å; E305-H323 IonicContact OE2-ND1 3.03Å; E305-H323 PolarHBondContact OE2-ND1 3.02Å; E305-H323 VanDerWaalsContact OE2-ND1 3.12Å; C306-H323 PolarHBondContact SG-NE2 3.27Å; C306-H323 VanDerWaalsContact SG-NE2 3.43Å; H319-H323 AromaticContact CE1-NE2 3.67Å; H319-H323 AromaticContact NE2-CD2 3.8Å; H319-H323 AromaticContact NE2-NE2 3.37Å; H319-H323 PolarHBondContact NE2-NE2 2.87Å; H320-H323 WeakPolarHBondContact O-CB 3.44Å; H320-H323 PolarHBondContact O-N 3.37Å; R321-H323 VanDerWaalsContact C-N 3.32Å; H323-G325 PolarHBondContact O-N 3.38Å
324	T	88.2	Confident	89.7	Confident	75 Å²	75	75.3 Å²	75.3	46%	0.46	39%	0.388	S	S	.	.	S	Bend	trans	-71.3	-11.2	179.4	62.6	0	0	0	0	113.2	H320 D326	H320-T324 WeakPolarHBondContact NE2-CG2 3.17Å; H320-T324 PolarHBondContact O-N 3.1Å; H320-T324 VanDerWaalsContact O-N 3.08Å; H320-T324 PolarHBondContact O-OG1 2.8Å; T324-D326 PolarHBondContact O-N 3.39Å; T324-D326 VanDerWaalsContact O-N 3.12Å; T324-D326 WeakPolarHBondContact OG1-CB 3.41Å; T324-D326 PolarHBondContact OG1-N 3.19Å
325	G	85.7	Confident	89.8	Confident	45 Å²	45	74.4 Å²	74.4	46%	0.464	39%	0.387	S	S	.	.			trans	67.1	4.3	-170.7	0	0	0	0	0	113.8	R321 H323 K327	R321-G325 CarbonylContact O-C 3.56Å; R321-G325 WeakPolarHBondContact O-CA 3.38Å; R321-G325 PolarHBondContact O-N 2.84Å; H323-G325 PolarHBondContact O-N 3.38Å; G325-K327 WeakPolarHBondContact O-CG 3.33Å; G325-K327 PolarHBondContact O-N 2.78Å
326	D	88.3	Confident	89.8	Confident	75 Å²	75	76 Å²	76	40%	0.401	39%	0.393	S	S	.	.			trans	-61.6	116.7	-175.7	177.6	28.8	0	0	0	111.2	R321 T324 P328	R321-D326 WeakPolarHBondContact CB-O 3.47Å; R321-D326 HydrophobicContact CG-CB 4.35Å; R321-D326 IonicContact NE-OD2 3Å; R321-D326 PolarHBondContact O-N 3.16Å; T324-D326 PolarHBondContact O-N 3.39Å; T324-D326 VanDerWaalsContact O-N 3.12Å; T324-D326 WeakPolarHBondContact OG1-CB 3.41Å; T324-D326 PolarHBondContact OG1-N 3.19Å; D326-P328 WeakPolarHBondContact O-CD 3.31Å; D326-P328 WeakPolarHBondContact OD1-CD 3.5Å; D326-P328 WeakPolarHBondContact OD1-CG 3.34Å; D326-P328 WeakPolarHBondContact OD2-CG 3.5Å
327	K	91.3	Very high	89.8	Confident	116 Å²	116	76.9 Å²	76.9	50%	0.504	40%	0.401	S	S	.	.			trans	-124.4	75.2	-179.3	-73.3	163.6	178.6	178.4	0	109.5	G325 Y329 S337 F338 T339	G325-K327 WeakPolarHBondContact O-CG 3.33Å; G325-K327 PolarHBondContact O-N 2.78Å; K327-Y329 PolarHBondContact O-N 3.47Å; K327-Y329 VanDerWaalsContact O-N 3.08Å; K327-S337 WeakPolarHBondContact CD-O 3.26Å; K327-S337 WeakPolarHBondContact O-CB 3.21Å; K327-F338 CarbonylContact C-O 3.57Å; K327-F338 VanDerWaalsContact C-O 3.32Å; K327-F338 WeakPolarHBondContact CA-O 3.21Å; K327-T339 HydrophobicContact CG-CG2 3.84Å
328	P	90.4	Very high	90	Very high	65 Å²	65	72.8 Å²	72.8	42%	0.422	38%	0.383	S	S	.	.			trans	-64.3	-20.2	-172.3	-22.3	32.4	0	0	0	114.6	D326 K330	D326-P328 WeakPolarHBondContact O-CD 3.31Å; D326-P328 WeakPolarHBondContact OD1-CD 3.5Å; D326-P328 WeakPolarHBondContact OD1-CG 3.34Å; D326-P328 WeakPolarHBondContact OD2-CG 3.5Å; P328-K330 PolarHBondContact O-N 3.32Å
329	Y	93	Very high	90	Very high	76 Å²	76	71.8 Å²	71.8	30%	0.298	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	89.5	-171.8	-54.8	-75.9	0	0	0	110.1	K327 S337 F338 N341	K327-Y329 PolarHBondContact O-N 3.47Å; K327-Y329 VanDerWaalsContact O-N 3.08Å; Y329-S337 CarbonylContact O-C 3.55Å; Y329-S337 WeakPolarHBondContact O-CA 3.36Å; Y329-F338 WeakPolarHBondContact CB-O 3.41Å; Y329-F338 WeakPolarHBondContact CD2-O 3.3Å; Y329-F338 PolarHBondContact N-O 3.1Å; Y329-F338 VanDerWaalsContact N-O 3.16Å; Y329-F338 WeakPolarHBondContact O-CD2 3.45Å; Y329-F338 PolarHBondContact O-N 3.49Å; Y329-N341 HydrophobicContact CD1-CB 3.71Å; Y329-N341 HydrophobicContact CD2-CB 4.48Å; Y329-N341 VanDerWaalsContact CD2-N 3.27Å; Y329-N341 HydrophobicContact CE1-CB 3.62Å; Y329-N341 HydrophobicContact CE2-CB 4.37Å; Y329-N341 HydrophobicContact CG-CB 4.16Å
330	K	91.6	Very high	90.1	Very high	124 Å²	124	76.9 Å²	76.9	54%	0.539	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.4	178.4	-173	173.1	179.1	-175.1	0	111.6	P328 S337	P328-K330 PolarHBondContact O-N 3.32Å; K330-S337 WeakPolarHBondContact CB-OG 3.46Å; K330-S337 WeakPolarHBondContact CG-OG 3.4Å
331	C	93.1	Very high	90.3	Very high	1 Å²	1	76.1 Å²	76.1	1%	0.007	40%	0.397	C	S	.	.			trans	-81.4	123.3	166.6	174.7	0	0	0	0	109	C334 G335 K336 F338 L344 H347 H351	C331-C334 VanDerWaalsContact SG-SG 3.63Å; C331-G335 WeakPolarHBondContact O-CA 3.42Å; C331-G335 PolarHBondContact O-N 3.26Å; C331-K336 VanDerWaalsContact CB-O 3.32Å; C331-K336 WeakPolarHBondContact CB-O 3.44Å; C331-K336 PolarHBondContact N-O 3.29Å; C331-F338 HydrophobicContact CB-CE2 4.39Å; C331-L344 HydrophobicContact CB-CD1 3.62Å; C331-H347 PolarHBondContact SG-NE2 3.22Å; C331-H351 PolarHBondContact SG-NE2 2.89Å
332	N	90.9	Very high	90.3	Very high	151 Å²	151	76.7 Å²	76.7	81%	0.807	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.9	-178.2	-65.4	-13.3	0	0	0	112.8
333	E	87.3	Confident	90.5	Very high	132 Å²	132	74 Å²	74	62%	0.617	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.1	-176.5	-67.2	167.4	148.6	0	0	113.5	H351	E333-H351 WeakPolarHBondContact OE2-CB 3.49Å; E333-H351 IonicContact OE2-CD2 3.18Å; E333-H351 PolarHBondContact OE2-CD2 3.09Å; E333-H351 IonicContact OE2-CG 3.27Å; E333-H351 IonicContact OE2-NE2 3.25Å
334	C	91.7	Very high	90.7	Very high	53 Å²	53	71.5 Å²	71.5	36%	0.358	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	3.7	-178.8	73.7	0	0	0	0	114.9	C331 K336 H347 H351	C331-C334 VanDerWaalsContact SG-SG 3.63Å; C334-K336 PolarHBondContact O-N 2.74Å; C334-H347 PolarHBondContact SG-NE2 3.14Å; C334-H351 PolarHBondContact SG-NE2 3.29Å; C334-H351 VanDerWaalsContact SG-NE2 3.45Å
335	G	90	Very high	90.8	Very high	37 Å²	37	73.9 Å²	73.9	38%	0.381	39%	0.389	S	S	.	.			trans	70.6	-7.8	-179.5	0	0	0	0	0	115.8	C331 S337	C331-G335 WeakPolarHBondContact O-CA 3.42Å; C331-G335 PolarHBondContact O-N 3.26Å; G335-S337 PolarHBondContact O-N 3.49Å; G335-S337 PolarHBondContact O-OG 2.82Å
336	K	92.1	Very high	91	Very high	124 Å²	124	74.4 Å²	74.4	54%	0.539	38%	0.38	S	S	.	.			trans	-63.1	132.4	-179.7	-71.2	179.8	-177.9	172.8	0	110.9	C331 C334 F338	C331-K336 VanDerWaalsContact CB-O 3.32Å; C331-K336 WeakPolarHBondContact CB-O 3.44Å; C331-K336 PolarHBondContact N-O 3.29Å; C334-K336 PolarHBondContact O-N 2.74Å; K336-F338 HydrophobicContact CB-CE2 4.04Å; K336-F338 HydrophobicContact CB-CZ 3.99Å; K336-F338 WeakPolarHBondContact O-CE2 3.49Å
337	S	92.7	Very high	91.2	Very high	42 Å²	42	71.8 Å²	71.8	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.6	-177.9	-58.7	0	0	0	0	111.9	K327 Y329 K330 G335	K327-S337 WeakPolarHBondContact CD-O 3.26Å; K327-S337 WeakPolarHBondContact O-CB 3.21Å; Y329-S337 CarbonylContact O-C 3.55Å; Y329-S337 WeakPolarHBondContact O-CA 3.36Å; K330-S337 WeakPolarHBondContact CB-OG 3.46Å; K330-S337 WeakPolarHBondContact CG-OG 3.4Å; G335-S337 PolarHBondContact O-N 3.49Å; G335-S337 PolarHBondContact O-OG 2.82Å
338	F	91.5	Very high	91.2	Very high	37 Å²	37	70 Å²	70	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.9	-174.1	-56.5	-86.2	0	0	0	111.8	K327 Y329 C331 K336 R340 V343 L344 H347	K327-F338 CarbonylContact C-O 3.57Å; K327-F338 VanDerWaalsContact C-O 3.32Å; K327-F338 WeakPolarHBondContact CA-O 3.21Å; Y329-F338 WeakPolarHBondContact CB-O 3.41Å; Y329-F338 WeakPolarHBondContact CD2-O 3.3Å; Y329-F338 PolarHBondContact N-O 3.1Å; Y329-F338 VanDerWaalsContact N-O 3.16Å; Y329-F338 WeakPolarHBondContact O-CD2 3.45Å; Y329-F338 PolarHBondContact O-N 3.49Å; C331-F338 HydrophobicContact CB-CE2 4.39Å; K336-F338 HydrophobicContact CB-CE2 4.04Å; K336-F338 HydrophobicContact CB-CZ 3.99Å; K336-F338 WeakPolarHBondContact O-CE2 3.49Å; F338-R340 VanDerWaalsContact C-N 3.29Å; F338-R340 PolarHBondContact O-N 2.84Å; F338-V343 HydrophobicContact CB-CB 4.43Å; F338-V343 HydrophobicContact CD1-CB 4.32Å; F338-V343 HydrophobicContact CD1-CG1 3.54Å; F338-V343 HydrophobicContact CE1-CG1 4.1Å; F338-V343 HydrophobicContact CG-CG1 4.23Å; F338-L344 HydrophobicContact CB-CB 4.43Å; F338-L344 HydrophobicContact CD2-CB 3.84Å; F338-L344 HydrophobicContact CD2-CD1 3.71Å; F338-L344 HydrophobicContact CD2-CG 4.37Å; F338-L344 HydrophobicContact CE2-CD1 3.81Å; F338-L344 HydrophobicContact CG-CB 4.36Å; F338-H347 HydrophobicContact CE1-CB 4.14Å; F338-H347 HydrophobicContact CE2-CB 3.89Å; F338-H347 AromaticContact CE2-CD2 3.4Å; F338-H347 VanDerWaalsContact CE2-CD2 3.4Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.5Å; F338-H347 AromaticContact CE2-CG 3.55Å; F338-H347 AromaticContact CE2-NE2 3.96Å; F338-H347 HydrophobicContact CZ-CB 3.56Å; F338-H347 AromaticContact CZ-CD2 3.53Å; F338-H347 AromaticContact CZ-CE1 3.9Å; F338-H347 AromaticContact CZ-CG 3.21Å; F338-H347 AromaticContact CZ-ND1 3.49Å; F338-H347 WeakPolarHBondContact CZ-ND1 3.5Å; F338-H347 AromaticContact CZ-NE2 3.93Å
339	T	89.7	Confident	91.2	Very high	29 Å²	29	69.9 Å²	69.9	18%	0.178	35%	0.35	C	S	.	.	S	Bend	trans	-76.2	-16.1	178.2	58.4	0	0	0	0	113.2	R321 L322 K327	R321-T339 HydrophobicContact CB-CG2 4.21Å; R321-T339 WeakPolarHBondContact CD-O 3.49Å; R321-T339 PolarHBondContact NH1-O 3.42Å; L322-T339 HydrophobicContact CD2-CG2 4.39Å; K327-T339 HydrophobicContact CG-CG2 3.84Å
340	R	91	Very high	91.1	Very high	122 Å²	122	70.1 Å²	70.1	46%	0.46	36%	0.356	S	S	.	.	S	Bend	trans	-139.5	137.3	-177.7	-61.9	177.2	71.1	179.6	1.3	111.6	I318 F338 S342 V343 L344	I318-R340 HydrophobicContact CG2-CG 3.86Å; F338-R340 VanDerWaalsContact C-N 3.29Å; F338-R340 PolarHBondContact O-N 2.84Å; R340-S342 VanDerWaalsContact C-N 3.3Å; R340-S342 PolarHBondContact O-N 2.88Å; R340-V343 HydrophobicContact CB-CG2 4.14Å; R340-V343 PolarHBondContact O-N 3.13Å; R340-V343 VanDerWaalsContact O-N 3.11Å; R340-L344 PolarHBondContact O-N 3.28Å
341	N	92.2	Very high	91	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.353	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-37.1	178.1	-168.1	26.5	0	0	0	113.2	Y329 V343 L344 K345	Y329-N341 HydrophobicContact CD1-CB 3.71Å; Y329-N341 HydrophobicContact CD2-CB 4.48Å; Y329-N341 VanDerWaalsContact CD2-N 3.27Å; Y329-N341 HydrophobicContact CE1-CB 3.62Å; Y329-N341 HydrophobicContact CE2-CB 4.37Å; Y329-N341 HydrophobicContact CG-CB 4.16Å; N341-V343 PolarHBondContact O-N 3.01Å; N341-L344 WeakPolarHBondContact O-CB 3.39Å; N341-L344 PolarHBondContact O-N 3.44Å; N341-K345 WeakPolarHBondContact O-CG 3.5Å; N341-K345 PolarHBondContact O-N 3.04Å
342	S	90.1	Very high	90.8	Very high	56 Å²	56	71.9 Å²	71.9	39%	0.392	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-33.6	178.4	57.8	0	0	0	0	112.6	R340 I346	R340-S342 VanDerWaalsContact C-N 3.3Å; R340-S342 PolarHBondContact O-N 2.88Å; S342-I346 WeakPolarHBondContact O-CD1 3.31Å; S342-I346 VanDerWaalsContact O-CG1 3.3Å; S342-I346 WeakPolarHBondContact O-CG1 3.37Å; S342-I346 PolarHBondContact O-N 2.97Å
343	V	91.3	Very high	90.6	Very high	62 Å²	62	66.8 Å²	66.8	38%	0.376	36%	0.355	S	S	.	.	H	α-helix	trans	-74.5	-40.6	177.3	-177	0	0	0	0	110.2	F338 R340 N341 I346 H347	F338-V343 HydrophobicContact CB-CB 4.43Å; F338-V343 HydrophobicContact CD1-CB 4.32Å; F338-V343 HydrophobicContact CD1-CG1 3.54Å; F338-V343 HydrophobicContact CE1-CG1 4.1Å; F338-V343 HydrophobicContact CG-CG1 4.23Å; R340-V343 HydrophobicContact CB-CG2 4.14Å; R340-V343 PolarHBondContact O-N 3.13Å; R340-V343 VanDerWaalsContact O-N 3.11Å; N341-V343 PolarHBondContact O-N 3.01Å; V343-I346 PolarHBondContact O-N 3.37Å; V343-H347 VanDerWaalsContact O-CB 3.3Å; V343-H347 WeakPolarHBondContact O-CB 3.38Å; V343-H347 PolarHBondContact O-N 3.32Å
344	L	92.1	Very high	90.7	Very high	13 Å²	13	64.3 Å²	64.3	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-57.6	-47.8	171.6	173.5	63.7	0	0	0	111.4	C331 F338 R340 N341 I346 H347 Q348	C331-L344 HydrophobicContact CB-CD1 3.62Å; F338-L344 HydrophobicContact CB-CB 4.43Å; F338-L344 HydrophobicContact CD2-CB 3.84Å; F338-L344 HydrophobicContact CD2-CD1 3.71Å; F338-L344 HydrophobicContact CD2-CG 4.37Å; F338-L344 HydrophobicContact CE2-CD1 3.81Å; F338-L344 HydrophobicContact CG-CB 4.36Å; R340-L344 PolarHBondContact O-N 3.28Å; N341-L344 WeakPolarHBondContact O-CB 3.39Å; N341-L344 PolarHBondContact O-N 3.44Å; L344-I346 VanDerWaalsContact C-N 3.33Å; L344-I346 PolarHBondContact O-N 2.88Å; L344-H347 CarbonylContact O-C 3.56Å; L344-H347 WeakPolarHBondContact O-CA 3.3Å; L344-H347 WeakPolarHBondContact O-CB 3.43Å; L344-H347 PolarHBondContact O-N 2.73Å; L344-Q348 HydrophobicContact CD1-CG 4.07Å; L344-Q348 HydrophobicContact CG-CG 4.35Å; L344-Q348 WeakPolarHBondContact O-CG 3.43Å; L344-Q348 PolarHBondContact O-N 3.39Å
345	K	90.8	Very high	90.6	Very high	126 Å²	126	66.2 Å²	66.2	55%	0.548	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-42.2	178.6	-73.4	-171.4	177.2	-166.7	0	112.9	N341 H347	N341-K345 WeakPolarHBondContact O-CG 3.5Å; N341-K345 PolarHBondContact O-N 3.04Å; K345-H347 VanDerWaalsContact C-N 3.32Å
346	I	90.7	Very high	90.6	Very high	55 Å²	55	67.1 Å²	67.1	28%	0.282	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-37.9	175.3	-67.3	166.4	0	0	0	110.5	S342 V343 L344 R349 Q368	S342-I346 WeakPolarHBondContact O-CD1 3.31Å; S342-I346 VanDerWaalsContact O-CG1 3.3Å; S342-I346 WeakPolarHBondContact O-CG1 3.37Å; S342-I346 PolarHBondContact O-N 2.97Å; V343-I346 PolarHBondContact O-N 3.37Å; L344-I346 VanDerWaalsContact C-N 3.33Å; L344-I346 PolarHBondContact O-N 2.88Å; I346-R349 WeakPolarHBondContact O-CB 3.44Å; I346-R349 PolarHBondContact O-N 3.3Å; I346-Q368 HydrophobicContact CG2-CG 3.66Å
347	H	91.9	Very high	90.7	Very high	21 Å²	21	64.9 Å²	64.9	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-43.9	176.6	166.2	78.7	0	0	0	112.3	C331 C334 F338 V343 L344 K345 R349 I350 H351	C331-H347 PolarHBondContact SG-NE2 3.22Å; C334-H347 PolarHBondContact SG-NE2 3.14Å; F338-H347 HydrophobicContact CE1-CB 4.14Å; F338-H347 HydrophobicContact CE2-CB 3.89Å; F338-H347 AromaticContact CE2-CD2 3.4Å; F338-H347 VanDerWaalsContact CE2-CD2 3.4Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.5Å; F338-H347 AromaticContact CE2-CG 3.55Å; F338-H347 AromaticContact CE2-NE2 3.96Å; F338-H347 HydrophobicContact CZ-CB 3.56Å; F338-H347 AromaticContact CZ-CD2 3.53Å; F338-H347 AromaticContact CZ-CE1 3.9Å; F338-H347 AromaticContact CZ-CG 3.21Å; F338-H347 AromaticContact CZ-ND1 3.49Å; F338-H347 WeakPolarHBondContact CZ-ND1 3.5Å; F338-H347 AromaticContact CZ-NE2 3.93Å; V343-H347 VanDerWaalsContact O-CB 3.3Å; V343-H347 WeakPolarHBondContact O-CB 3.38Å; V343-H347 PolarHBondContact O-N 3.32Å; L344-H347 CarbonylContact O-C 3.56Å; L344-H347 WeakPolarHBondContact O-CA 3.3Å; L344-H347 WeakPolarHBondContact O-CB 3.43Å; L344-H347 PolarHBondContact O-N 2.73Å; K345-H347 VanDerWaalsContact C-N 3.32Å; H347-R349 PolarHBondContact O-N 3.35Å; H347-I350 WeakPolarHBondContact CE1-CD1 3.47Å; H347-I350 WeakPolarHBondContact ND1-CD1 3.35Å; H347-I350 WeakPolarHBondContact O-CB 2.97Å; H347-I350 WeakPolarHBondContact O-CG1 2.87Å; H347-I350 WeakPolarHBondContact O-CG2 3.18Å; H347-I350 PolarHBondContact O-N 3.25Å; H347-H351 AromaticContact CE1-NE2 3.71Å; H347-H351 AromaticContact NE2-NE2 3.19Å; H347-H351 PolarHBondContact NE2-NE2 3.36Å; H347-H351 VanDerWaalsContact NE2-NE2 3.19Å
348	Q	90.3	Very high	90.5	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.36	35%	0.351	S	S	.	.	H	α-helix	trans	-55.5	-27.7	178.9	-75.4	173.7	-48.5	0	0	112.8	L344 I350 H351 T352	L344-Q348 HydrophobicContact CD1-CG 4.07Å; L344-Q348 HydrophobicContact CG-CG 4.35Å; L344-Q348 WeakPolarHBondContact O-CG 3.43Å; L344-Q348 PolarHBondContact O-N 3.39Å; Q348-I350 PolarHBondContact O-N 3.38Å; Q348-I350 VanDerWaalsContact O-N 3.16Å; Q348-H351 PolarHBondContact O-N 2.82Å; Q348-T352 PolarHBondContact O-N 3.17Å
349	R	91.3	Very high	90.5	Very high	63 Å²	63	68.4 Å²	68.4	24%	0.238	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-28.6	174.8	-63.3	-177.9	176.6	173.3	-5.4	113.4	I346 H347 H351 T352 G353 D354 F367	I346-R349 WeakPolarHBondContact O-CB 3.44Å; I346-R349 PolarHBondContact O-N 3.3Å; H347-R349 PolarHBondContact O-N 3.35Å; R349-H351 VanDerWaalsContact C-N 3.26Å; R349-H351 PolarHBondContact O-N 3.41Å; R349-T352 WeakPolarHBondContact CA-OG1 3.45Å; R349-T352 PolarHBondContact O-OG1 2.85Å; R349-T352 VanDerWaalsContact O-OG1 3.06Å; R349-G353 CarbonylContact O-C 3.53Å; R349-G353 WeakPolarHBondContact O-CA 3.39Å; R349-G353 PolarHBondContact O-N 3.38Å; R349-D354 WeakPolarHBondContact CB-O 3.13Å; R349-D354 PolarHBondContact O-N 3.2Å; R349-F367 HydrophobicContact CB-CD1 3.57Å; R349-F367 HydrophobicContact CB-CE1 4.07Å; R349-F367 HydrophobicContact CB-CG 4.49Å; R349-F367 PolarHBondContact NH1-O 3.06Å; R349-F367 VanDerWaalsContact O-CE1 3.25Å; R349-F367 WeakPolarHBondContact O-CE1 3.3Å
350	I	90.2	Very high	90.5	Very high	81 Å²	81	74.8 Å²	74.8	42%	0.415	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-30.8	178.5	81.2	-174.2	0	0	0	112.4	H347 Q348 F367	H347-I350 WeakPolarHBondContact CE1-CD1 3.47Å; H347-I350 WeakPolarHBondContact ND1-CD1 3.35Å; H347-I350 WeakPolarHBondContact O-CB 2.97Å; H347-I350 WeakPolarHBondContact O-CG1 2.87Å; H347-I350 WeakPolarHBondContact O-CG2 3.18Å; H347-I350 PolarHBondContact O-N 3.25Å; Q348-I350 PolarHBondContact O-N 3.38Å; Q348-I350 VanDerWaalsContact O-N 3.16Å; I350-F367 HydrophobicContact CG2-CE2 4.37Å; I350-F367 HydrophobicContact CG2-CZ 4.36Å
351	H	90.3	Very high	90.3	Very high	70 Å²	70	74 Å²	74	32%	0.324	38%	0.383	S	S	.	.	H	α-helix	trans	-81.6	-43.7	-179.8	-58.6	-54	0	0	0	110.8	C331 E333 C334 H347 Q348 R349 G353	C331-H351 PolarHBondContact SG-NE2 2.89Å; E333-H351 WeakPolarHBondContact OE2-CB 3.49Å; E333-H351 IonicContact OE2-CD2 3.18Å; E333-H351 PolarHBondContact OE2-CD2 3.09Å; E333-H351 IonicContact OE2-CG 3.27Å; E333-H351 IonicContact OE2-NE2 3.25Å; C334-H351 PolarHBondContact SG-NE2 3.29Å; C334-H351 VanDerWaalsContact SG-NE2 3.45Å; H347-H351 AromaticContact CE1-NE2 3.71Å; H347-H351 AromaticContact NE2-NE2 3.19Å; H347-H351 PolarHBondContact NE2-NE2 3.36Å; H347-H351 VanDerWaalsContact NE2-NE2 3.19Å; Q348-H351 PolarHBondContact O-N 2.82Å; R349-H351 VanDerWaalsContact C-N 3.26Å; R349-H351 PolarHBondContact O-N 3.41Å; H351-G353 PolarHBondContact O-N 3.3Å
352	T	88.5	Confident	90.2	Very high	93 Å²	93	72.7 Å²	72.7	57%	0.571	38%	0.378	S	S	*	.	H	α-helix	trans	-68.5	-15.4	174.3	60.4	0	0	0	0	113.6	Q348 R349 D354	Q348-T352 PolarHBondContact O-N 3.17Å; R349-T352 WeakPolarHBondContact CA-OG1 3.45Å; R349-T352 PolarHBondContact O-OG1 2.85Å; R349-T352 VanDerWaalsContact O-OG1 3.06Å; T352-D354 PolarHBondContact O-N 3.22Å; T352-D354 VanDerWaalsContact O-N 3.08Å; T352-D354 WeakPolarHBondContact OG1-CB 3.38Å; T352-D354 PolarHBondContact OG1-N 3.36Å
353	G	87.1	Confident	90	Very high	43 Å²	43	79.3 Å²	79.3	44%	0.443	40%	0.402	S	S	.	.			trans	66.8	-0.7	-169	0	0	0	0	0	114.6	R349 H351 K355	R349-G353 CarbonylContact O-C 3.53Å; R349-G353 WeakPolarHBondContact O-CA 3.39Å; R349-G353 PolarHBondContact O-N 3.38Å; H351-G353 PolarHBondContact O-N 3.3Å; G353-K355 PolarHBondContact O-N 3.49Å
354	D	88.3	Confident	90	Very high	80 Å²	80	82.5 Å²	82.5	43%	0.428	41%	0.411	S	S	.	.			trans	-63.1	115.9	-175.9	178.7	26.8	0	0	0	111.4	R349 T352 P356 F367	R349-D354 WeakPolarHBondContact CB-O 3.13Å; R349-D354 PolarHBondContact O-N 3.2Å; T352-D354 PolarHBondContact O-N 3.22Å; T352-D354 VanDerWaalsContact O-N 3.08Å; T352-D354 WeakPolarHBondContact OG1-CB 3.38Å; T352-D354 PolarHBondContact OG1-N 3.36Å; D354-P356 WeakPolarHBondContact O-CD 3.25Å; D354-P356 WeakPolarHBondContact OD1-CD 3.45Å; D354-P356 WeakPolarHBondContact OD2-CG 3.37Å; D354-F367 WeakPolarHBondContact O-CD1 3.47Å; D354-F367 WeakPolarHBondContact O-CE1 3.49Å
355	K	91.1	Very high	90	Very high	93 Å²	93	83.4 Å²	83.4	40%	0.404	42%	0.419	S	S	.	.			trans	-120.3	79.5	178.4	-71.4	163.2	173.4	-179.6	0	109	G353 Y357 S365 F366 F367	G353-K355 PolarHBondContact O-N 3.49Å; K355-Y357 PolarHBondContact O-N 3.21Å; K355-Y357 VanDerWaalsContact O-N 3.09Å; K355-S365 VanDerWaalsContact CB-CB 3.48Å; K355-S365 WeakPolarHBondContact CD-O 3.31Å; K355-F366 CarbonylContact C-O 3.56Å; K355-F367 HydrophobicContact CD-CE1 4.41Å; K355-F367 HydrophobicContact CD-CZ 4.32Å; K355-F367 HydrophobicContact CG-CD1 3.74Å; K355-F367 HydrophobicContact CG-CE1 3.53Å; K355-F367 HydrophobicContact CG-CE2 4.37Å; K355-F367 HydrophobicContact CG-CG 4.25Å; K355-F367 HydrophobicContact CG-CZ 3.89Å
356	P	90.2	Very high	90.1	Very high	57 Å²	57	79.4 Å²	79.4	37%	0.37	40%	0.401	S	S	.	.			trans	-62.5	-23.8	-171.9	-25.2	34.2	0	0	0	114.3	D354 K358	D354-P356 WeakPolarHBondContact O-CD 3.25Å; D354-P356 WeakPolarHBondContact OD1-CD 3.45Å; D354-P356 WeakPolarHBondContact OD2-CG 3.37Å; P356-K358 PolarHBondContact O-N 3.26Å
357	Y	92.8	Very high	90.1	Very high	77 Å²	77	79.4 Å²	79.4	30%	0.302	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	87.8	-173.7	-53.4	-71.4	0	0	0	109.9	K355 S365 F366 Y369	K355-Y357 PolarHBondContact O-N 3.21Å; K355-Y357 VanDerWaalsContact O-N 3.09Å; Y357-S365 CarbonylContact O-C 3.56Å; Y357-S365 WeakPolarHBondContact O-CA 3.39Å; Y357-F366 WeakPolarHBondContact CD2-O 3.37Å; Y357-F366 PolarHBondContact N-O 3.33Å; Y357-F366 PolarHBondContact O-N 3.1Å; Y357-Y369 AromaticContact CD1-CD2 3.95Å; Y357-Y369 HydrophobicContact CD1-CD2 3.95Å; Y357-Y369 HydrophobicContact CD1-CG 4.42Å; Y357-Y369 VanDerWaalsContact CD2-N 3.27Å; Y357-Y369 HydrophobicContact CE1-CD2 4.24Å; Y357-Y369 HydrophobicContact CE1-CG 4.43Å; Y357-Y369 VanDerWaalsContact CE2-N 3.3Å
358	K	89.8	Confident	90	Very high	140 Å²	140	81.4 Å²	81.4	61%	0.609	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.8	176.8	-50.6	-163.4	176.3	176.6	0	110.5	P356 S365	P356-K358 PolarHBondContact O-N 3.26Å; K358-S365 WeakPolarHBondContact CG-OG 3.32Å
359	C	91.8	Very high	90.1	Very high	12 Å²	12	84.5 Å²	84.5	8%	0.081	42%	0.418	C	S	.	.			trans	-78.3	139.1	165.1	-171.4	0	0	0	0	108.4	C362 K364 L372	C359-C362 CarbonylContact C-O 3.45Å; C359-C362 WeakPolarHBondContact CB-O 3.15Å; C359-K364 WeakPolarHBondContact CB-O 3.44Å; C359-K364 PolarHBondContact N-O 3.11Å; C359-L372 HydrophobicContact CB-CD1 3.76Å
360	N	88.5	Confident	90.1	Very high	164 Å²	164	84.1 Å²	84.1	88%	0.877	43%	0.426	S	S	*	.	S	Bend	trans	-86.8	-20.8	178.1	-66.1	-8.6	0	0	0	112
361	E	86.6	Confident	90.2	Very high	106 Å²	106	84.4 Å²	84.4	50%	0.495	43%	0.425	S	S	.	.	S	Bend	trans	-92.5	-13.8	-179.4	-64.2	179.3	-128.2	0	0	113.2	H376 H379	E361-H376 IonicContact OE1-CE1 3.3Å; E361-H376 PolarHBondContact OE1-CE1 3.37Å; E361-H376 IonicContact OE1-ND1 2.8Å; E361-H376 PolarHBondContact OE1-ND1 3.42Å; E361-H379 WeakPolarHBondContact OE2-CB 3.34Å; E361-H379 IonicContact OE2-CG 3.97Å; E361-H379 VanDerWaalsContact OE2-CG 3.27Å; E361-H379 IonicContact OE2-ND1 2.92Å; E361-H379 PolarHBondContact OE2-ND1 2.79Å
362	C	89.9	Confident	90.2	Very high	37 Å²	37	82.2 Å²	82.2	25%	0.25	42%	0.415	C	S	.	.	S	Bend	trans	-149.6	159.3	166.8	70.4	0	0	0	0	110.7	C359 K364 H375 H379	C359-C362 CarbonylContact C-O 3.45Å; C359-C362 WeakPolarHBondContact CB-O 3.15Å; C362-K364 PolarHBondContact O-N 3.38Å; C362-H375 PolarHBondContact SG-NE2 3.04Å; C362-H379 PolarHBondContact SG-NE2 3.21Å; C362-H379 VanDerWaalsContact SG-NE2 3.35Å
363	E	87.3	Confident	90.3	Very high	195 Å²	195	83.4 Å²	83.4	91%	0.911	41%	0.413	S	S	*	.	S	Bend	trans	-67.7	6.4	-177.1	-59.8	178.2	173.6	0	0	114.7
364	K	91.3	Very high	90.4	Very high	129 Å²	129	83.6 Å²	83.6	56%	0.561	40%	0.403	S	S	*	.			trans	-74.7	132.3	-179.3	-67.8	179.6	-179.4	169.9	0	111	C359 C362 F366	C359-K364 WeakPolarHBondContact CB-O 3.44Å; C359-K364 PolarHBondContact N-O 3.11Å; C362-K364 PolarHBondContact O-N 3.38Å; K364-F366 HydrophobicContact CB-CE2 4.02Å; K364-F366 HydrophobicContact CB-CZ 4.08Å
365	S	91.4	Very high	90.5	Very high	33 Å²	33	80.5 Å²	80.5	23%	0.231	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.1	177.8	-53.8	0	0	0	0	111.1	K355 Y357 K358	K355-S365 VanDerWaalsContact CB-CB 3.48Å; K355-S365 WeakPolarHBondContact CD-O 3.31Å; Y357-S365 CarbonylContact O-C 3.56Å; Y357-S365 WeakPolarHBondContact O-CA 3.39Å; K358-S365 WeakPolarHBondContact CG-OG 3.32Å
366	F	92	Very high	90.4	Very high	41 Å²	41	79.9 Å²	79.9	18%	0.18	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.8	-173.3	-58.1	-91	0	0	0	112.6	K355 Y357 K364 Q368 H371 L372 H375	K355-F366 CarbonylContact C-O 3.56Å; Y357-F366 WeakPolarHBondContact CD2-O 3.37Å; Y357-F366 PolarHBondContact N-O 3.33Å; Y357-F366 PolarHBondContact O-N 3.1Å; K364-F366 HydrophobicContact CB-CE2 4.02Å; K364-F366 HydrophobicContact CB-CZ 4.08Å; F366-Q368 VanDerWaalsContact C-N 3.32Å; F366-H371 HydrophobicContact CB-CB 4.22Å; F366-H371 HydrophobicContact CD1-CB 3.93Å; F366-H371 HydrophobicContact CG-CB 4.31Å; F366-L372 HydrophobicContact CB-CB 4.37Å; F366-L372 HydrophobicContact CD2-CB 3.88Å; F366-L372 HydrophobicContact CD2-CD1 3.75Å; F366-L372 HydrophobicContact CD2-CG 4.43Å; F366-L372 HydrophobicContact CE2-CD1 3.91Å; F366-L372 HydrophobicContact CG-CB 4.31Å; F366-H375 HydrophobicContact CE1-CB 3.97Å; F366-H375 HydrophobicContact CE2-CB 3.78Å; F366-H375 AromaticContact CE2-CD2 3.33Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.47Å; F366-H375 AromaticContact CE2-CG 3.52Å; F366-H375 AromaticContact CE2-NE2 4Å; F366-H375 HydrophobicContact CZ-CB 3.39Å; F366-H375 AromaticContact CZ-CD2 3.48Å; F366-H375 VanDerWaalsContact CZ-CD2 3.48Å; F366-H375 WeakPolarHBondContact CZ-CD2 3.49Å; F366-H375 AromaticContact CZ-CG 3.17Å; F366-H375 AromaticContact CZ-ND1 3.64Å
367	F	90.7	Very high	90.3	Very high	55 Å²	55	79.1 Å²	79.1	24%	0.241	37%	0.374	C	S	.	.	S	Bend	trans	-73	-22.3	176.1	-62.9	-65	0	0	0	113.9	R349 I350 D354 K355	R349-F367 HydrophobicContact CB-CD1 3.57Å; R349-F367 HydrophobicContact CB-CE1 4.07Å; R349-F367 HydrophobicContact CB-CG 4.49Å; R349-F367 PolarHBondContact NH1-O 3.06Å; R349-F367 VanDerWaalsContact O-CE1 3.25Å; R349-F367 WeakPolarHBondContact O-CE1 3.3Å; I350-F367 HydrophobicContact CG2-CE2 4.37Å; I350-F367 HydrophobicContact CG2-CZ 4.36Å; D354-F367 WeakPolarHBondContact O-CD1 3.47Å; D354-F367 WeakPolarHBondContact O-CE1 3.49Å; K355-F367 HydrophobicContact CD-CE1 4.41Å; K355-F367 HydrophobicContact CD-CZ 4.32Å; K355-F367 HydrophobicContact CG-CD1 3.74Å; K355-F367 HydrophobicContact CG-CE1 3.53Å; K355-F367 HydrophobicContact CG-CE2 4.37Å; K355-F367 HydrophobicContact CG-CG 4.25Å; K355-F367 HydrophobicContact CG-CZ 3.89Å
368	Q	91.7	Very high	90.1	Very high	63 Å²	63	80.1 Å²	80.1	29%	0.294	38%	0.384	S	S	.	.	S	Bend	trans	-135.5	141.2	-176.5	-62.5	-177.5	38.4	0	0	111	I346 F366 S370 H371 L372	I346-Q368 HydrophobicContact CG2-CG 3.66Å; F366-Q368 VanDerWaalsContact C-N 3.32Å; Q368-S370 VanDerWaalsContact C-N 3.31Å; Q368-S370 PolarHBondContact O-N 2.95Å; Q368-H371 WeakPolarHBondContact O-CB 3.37Å; Q368-H371 PolarHBondContact O-N 3.08Å; Q368-H371 VanDerWaalsContact O-N 3.17Å; Q368-L372 PolarHBondContact O-N 3.24Å
369	Y	92.2	Very high	90	Very high	142 Å²	142	76.6 Å²	76.6	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-62.3	-36.5	179.1	-179.9	-103.1	0	0	0	112.8	Y357 H371 L372 K373	Y357-Y369 AromaticContact CD1-CD2 3.95Å; Y357-Y369 HydrophobicContact CD1-CD2 3.95Å; Y357-Y369 HydrophobicContact CD1-CG 4.42Å; Y357-Y369 VanDerWaalsContact CD2-N 3.27Å; Y357-Y369 HydrophobicContact CE1-CD2 4.24Å; Y357-Y369 HydrophobicContact CE1-CG 4.43Å; Y357-Y369 VanDerWaalsContact CE2-N 3.3Å; Y369-H371 VanDerWaalsContact C-N 3.27Å; Y369-H371 PolarHBondContact O-N 3.25Å; Y369-L372 HydrophobicContact CD2-CD2 4.48Å; Y369-L372 WeakPolarHBondContact O-CB 3.42Å; Y369-L372 PolarHBondContact O-N 3.32Å; Y369-K373 PolarHBondContact O-N 3.49Å
370	S	89.8	Confident	89.8	Confident	56 Å²	56	79.7 Å²	79.7	39%	0.392	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-38.1	175.8	51.9	0	0	0	0	112.4	Q368 K373 I374	Q368-S370 VanDerWaalsContact C-N 3.31Å; Q368-S370 PolarHBondContact O-N 2.95Å; S370-K373 PolarHBondContact O-N 3.21Å; S370-I374 VanDerWaalsContact O-CG1 3.31Å; S370-I374 WeakPolarHBondContact O-CG1 3.28Å; S370-I374 PolarHBondContact O-N 2.9Å
371	H	92.1	Very high	89.7	Confident	86 Å²	86	74 Å²	74	40%	0.398	37%	0.368	S	S	.	.	H	α-helix	trans	-70	-40.3	176.8	-61.3	169.6	0	0	0	111.5	F366 Q368 Y369 I374 H375	F366-H371 HydrophobicContact CB-CB 4.22Å; F366-H371 HydrophobicContact CD1-CB 3.93Å; F366-H371 HydrophobicContact CG-CB 4.31Å; Q368-H371 WeakPolarHBondContact O-CB 3.37Å; Q368-H371 PolarHBondContact O-N 3.08Å; Q368-H371 VanDerWaalsContact O-N 3.17Å; Y369-H371 VanDerWaalsContact C-N 3.27Å; Y369-H371 PolarHBondContact O-N 3.25Å; H371-I374 PolarHBondContact O-N 2.78Å; H371-H375 VanDerWaalsContact O-CB 3.3Å; H371-H375 WeakPolarHBondContact O-CB 3.39Å; H371-H375 PolarHBondContact O-N 3.45Å
372	L	92	Very high	89.7	Confident	24 Å²	24	72.8 Å²	72.8	13%	0.126	37%	0.365	C	S	.	.	H	α-helix	trans	-60	-45.6	171.4	174.3	64.5	0	0	0	110.9	C359 F366 Q368 Y369 I374 H375 H376	C359-L372 HydrophobicContact CB-CD1 3.76Å; F366-L372 HydrophobicContact CB-CB 4.37Å; F366-L372 HydrophobicContact CD2-CB 3.88Å; F366-L372 HydrophobicContact CD2-CD1 3.75Å; F366-L372 HydrophobicContact CD2-CG 4.43Å; F366-L372 HydrophobicContact CE2-CD1 3.91Å; F366-L372 HydrophobicContact CG-CB 4.31Å; Q368-L372 PolarHBondContact O-N 3.24Å; Y369-L372 HydrophobicContact CD2-CD2 4.48Å; Y369-L372 WeakPolarHBondContact O-CB 3.42Å; Y369-L372 PolarHBondContact O-N 3.32Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 PolarHBondContact O-N 3.05Å; L372-H375 CarbonylContact O-C 3.38Å; L372-H375 WeakPolarHBondContact O-CA 3.39Å; L372-H375 WeakPolarHBondContact O-CB 3.15Å; L372-H375 PolarHBondContact O-N 3.17Å; L372-H376 PolarHBondContact O-N 2.86Å
373	K	89.6	Confident	89.7	Confident	118 Å²	118	75.4 Å²	75.4	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-42.4	179.1	-174.7	171.9	-177.1	171.2	0	112.3	Y369 S370 H375	Y369-K373 PolarHBondContact O-N 3.49Å; S370-K373 PolarHBondContact O-N 3.21Å; K373-H375 VanDerWaalsContact C-N 3.32Å
374	I	89.2	Confident	89.7	Confident	48 Å²	48	69 Å²	69	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-38.2	174.5	-68.3	165.7	0	0	0	110.7	S370 H371 L372 R377 Q396	S370-I374 VanDerWaalsContact O-CG1 3.31Å; S370-I374 WeakPolarHBondContact O-CG1 3.28Å; S370-I374 PolarHBondContact O-N 2.9Å; H371-I374 PolarHBondContact O-N 2.78Å; L372-I374 VanDerWaalsContact C-N 3.34Å; L372-I374 PolarHBondContact O-N 3.05Å; I374-R377 WeakPolarHBondContact O-CB 3.32Å; I374-R377 PolarHBondContact O-N 3.35Å; I374-Q396 HydrophobicContact CG2-CG 3.82Å
375	H	90.7	Very high	89.7	Confident	15 Å²	15	66.5 Å²	66.5	7%	0.069	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-41.4	177.3	168.6	69.2	0	0	0	112.9	C362 F366 H371 L372 K373 R377 L378 H379	C362-H375 PolarHBondContact SG-NE2 3.04Å; F366-H375 HydrophobicContact CE1-CB 3.97Å; F366-H375 HydrophobicContact CE2-CB 3.78Å; F366-H375 AromaticContact CE2-CD2 3.33Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.47Å; F366-H375 AromaticContact CE2-CG 3.52Å; F366-H375 AromaticContact CE2-NE2 4Å; F366-H375 HydrophobicContact CZ-CB 3.39Å; F366-H375 AromaticContact CZ-CD2 3.48Å; F366-H375 VanDerWaalsContact CZ-CD2 3.48Å; F366-H375 WeakPolarHBondContact CZ-CD2 3.49Å; F366-H375 AromaticContact CZ-CG 3.17Å; F366-H375 AromaticContact CZ-ND1 3.64Å; H371-H375 VanDerWaalsContact O-CB 3.3Å; H371-H375 WeakPolarHBondContact O-CB 3.39Å; H371-H375 PolarHBondContact O-N 3.45Å; L372-H375 CarbonylContact O-C 3.38Å; L372-H375 WeakPolarHBondContact O-CA 3.39Å; L372-H375 WeakPolarHBondContact O-CB 3.15Å; L372-H375 PolarHBondContact O-N 3.17Å; K373-H375 VanDerWaalsContact C-N 3.32Å; H375-R377 PolarHBondContact O-N 3.2Å; H375-R377 VanDerWaalsContact O-N 3.17Å; H375-L378 WeakPolarHBondContact O-CB 2.95Å; H375-L378 WeakPolarHBondContact O-CG 2.94Å; H375-L378 PolarHBondContact O-N 3.24Å; H375-H379 AromaticContact CE1-NE2 3.67Å; H375-H379 AromaticContact NE2-CD2 3.73Å; H375-H379 AromaticContact NE2-NE2 3.3Å; H375-H379 PolarHBondContact NE2-NE2 3.05Å
376	H	88	Confident	89.5	Confident	79 Å²	79	71.9 Å²	71.9	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-24.5	177.3	-178.9	69.3	0	0	0	112.6	E361 L372 L378 H379 T380	E361-H376 IonicContact OE1-CE1 3.3Å; E361-H376 PolarHBondContact OE1-CE1 3.37Å; E361-H376 IonicContact OE1-ND1 2.8Å; E361-H376 PolarHBondContact OE1-ND1 3.42Å; L372-H376 PolarHBondContact O-N 2.86Å; H376-L378 PolarHBondContact O-N 3.26Å; H376-H379 WeakPolarHBondContact O-CB 3.48Å; H376-H379 PolarHBondContact O-N 3.21Å; H376-H379 VanDerWaalsContact O-N 3.11Å; H376-T380 PolarHBondContact O-N 3.07Å; H376-T380 VanDerWaalsContact O-N 3.13Å; H376-T380 PolarHBondContact O-OG1 3.16Å
377	R	89.7	Confident	89.4	Confident	42 Å²	42	70.4 Å²	70.4	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-28.3	170	-63.2	179.6	176.6	158.4	-1.4	113.4	I374 H375 H379 T380 G381 D382 F395	I374-R377 WeakPolarHBondContact O-CB 3.32Å; I374-R377 PolarHBondContact O-N 3.35Å; H375-R377 PolarHBondContact O-N 3.2Å; H375-R377 VanDerWaalsContact O-N 3.17Å; R377-H379 PolarHBondContact O-N 3.13Å; R377-T380 WeakPolarHBondContact CA-OG1 3.26Å; R377-T380 PolarHBondContact O-OG1 2.91Å; R377-G381 WeakPolarHBondContact O-CA 3.4Å; R377-G381 PolarHBondContact O-N 3.29Å; R377-D382 PolarHBondContact O-N 3.3Å; R377-F395 HydrophobicContact CB-CD1 3.65Å; R377-F395 HydrophobicContact CB-CE1 4.25Å; R377-F395 PolarHBondContact NH1-O 3.44Å; R377-F395 WeakPolarHBondContact O-CE1 3.38Å
378	L	87.6	Confident	89.2	Confident	98 Å²	98	75.5 Å²	75.5	51%	0.513	38%	0.379	S	S	.	.	H	α-helix	trans	-66.2	-31.3	175.6	-58.7	176.3	0	0	0	112	H375 H376 F395	H375-L378 WeakPolarHBondContact O-CB 2.95Å; H375-L378 WeakPolarHBondContact O-CG 2.94Å; H375-L378 PolarHBondContact O-N 3.24Å; H376-L378 PolarHBondContact O-N 3.26Å; L378-F395 HydrophobicContact CD2-CD1 4.34Å; L378-F395 HydrophobicContact CD2-CD2 3.63Å; L378-F395 HydrophobicContact CD2-CE1 4.21Å; L378-F395 HydrophobicContact CD2-CE2 3.46Å; L378-F395 VanDerWaalsContact CD2-CE2 3.46Å; L378-F395 HydrophobicContact CD2-CG 4.06Å; L378-F395 HydrophobicContact CD2-CZ 3.77Å
379	H	89	Confident	88.9	Confident	65 Å²	65	78 Å²	78	30%	0.301	39%	0.391	S	S	.	.	H	α-helix	trans	-78.3	-50.4	178.6	-76.5	-77.8	0	0	0	112.1	E361 C362 H375 H376 R377 G381	E361-H379 WeakPolarHBondContact OE2-CB 3.34Å; E361-H379 IonicContact OE2-CG 3.97Å; E361-H379 VanDerWaalsContact OE2-CG 3.27Å; E361-H379 IonicContact OE2-ND1 2.92Å; E361-H379 PolarHBondContact OE2-ND1 2.79Å; C362-H379 PolarHBondContact SG-NE2 3.21Å; C362-H379 VanDerWaalsContact SG-NE2 3.35Å; H375-H379 AromaticContact CE1-NE2 3.67Å; H375-H379 AromaticContact NE2-CD2 3.73Å; H375-H379 AromaticContact NE2-NE2 3.3Å; H375-H379 PolarHBondContact NE2-NE2 3.05Å; H376-H379 WeakPolarHBondContact O-CB 3.48Å; H376-H379 PolarHBondContact O-N 3.21Å; H376-H379 VanDerWaalsContact O-N 3.11Å; R377-H379 PolarHBondContact O-N 3.13Å; H379-G381 PolarHBondContact O-N 3.07Å
380	T	87.5	Confident	88.8	Confident	78 Å²	78	73.2 Å²	73.2	48%	0.479	38%	0.377	S	S	.	.	H	α-helix	trans	-68.7	-14	178	51.7	0	0	0	0	113.1	H376 R377 D382	H376-T380 PolarHBondContact O-N 3.07Å; H376-T380 VanDerWaalsContact O-N 3.13Å; H376-T380 PolarHBondContact O-OG1 3.16Å; R377-T380 WeakPolarHBondContact CA-OG1 3.26Å; R377-T380 PolarHBondContact O-OG1 2.91Å; T380-D382 PolarHBondContact O-N 3.02Å; T380-D382 VanDerWaalsContact O-N 3.1Å; T380-D382 WeakPolarHBondContact OG1-CB 3.17Å
381	G	85.8	Confident	88.6	Confident	43 Å²	43	79.9 Å²	79.9	44%	0.443	40%	0.402	S	S	.	.			trans	68	1.9	-171.9	0	0	0	0	0	113.6	R377 H379 K383	R377-G381 WeakPolarHBondContact O-CA 3.4Å; R377-G381 PolarHBondContact O-N 3.29Å; H379-G381 PolarHBondContact O-N 3.07Å; G381-K383 PolarHBondContact O-N 2.86Å
382	D	87.2	Confident	88.5	Confident	82 Å²	82	81.6 Å²	81.6	44%	0.439	41%	0.408	S	S	.	.			trans	-64.4	115.3	-176.6	177.5	27.2	0	0	0	110.5	R377 T380 P384 F395	R377-D382 PolarHBondContact O-N 3.3Å; T380-D382 PolarHBondContact O-N 3.02Å; T380-D382 VanDerWaalsContact O-N 3.1Å; T380-D382 WeakPolarHBondContact OG1-CB 3.17Å; D382-P384 WeakPolarHBondContact O-CD 3.35Å; D382-P384 WeakPolarHBondContact OD1-CD 3.39Å; D382-P384 WeakPolarHBondContact OD2-CG 3.27Å; D382-F395 WeakPolarHBondContact O-CD1 3.48Å; D382-F395 WeakPolarHBondContact O-CE1 3.38Å
383	K	88.9	Confident	88.4	Confident	91 Å²	91	82 Å²	82	40%	0.396	41%	0.413	S	S	.	.			trans	-118.9	78.1	178.7	-71.5	164	174.3	-177.5	0	109	G381 Y385 S393 F394 F395	G381-K383 PolarHBondContact O-N 2.86Å; K383-Y385 PolarHBondContact O-N 3.26Å; K383-Y385 VanDerWaalsContact O-N 3.1Å; K383-S393 WeakPolarHBondContact CD-O 3.49Å; K383-F394 CarbonylContact C-O 3.43Å; K383-F395 HydrophobicContact CD-CE1 4.36Å; K383-F395 HydrophobicContact CD-CZ 4.21Å; K383-F395 VanDerWaalsContact CE-CZ 3.4Å; K383-F395 HydrophobicContact CG-CD1 3.74Å; K383-F395 HydrophobicContact CG-CD2 4.48Å; K383-F395 HydrophobicContact CG-CE1 3.48Å; K383-F395 VanDerWaalsContact CG-CE1 3.48Å; K383-F395 HydrophobicContact CG-CE2 4.27Å; K383-F395 HydrophobicContact CG-CG 4.25Å; K383-F395 HydrophobicContact CG-CZ 3.79Å
384	P	88.2	Confident	88.4	Confident	60 Å²	60	78.4 Å²	78.4	39%	0.39	40%	0.398	S	S	.	.			trans	-63	-24.2	-171.7	-23.9	33	0	0	0	114.1	D382 K386	D382-P384 WeakPolarHBondContact O-CD 3.35Å; D382-P384 WeakPolarHBondContact OD1-CD 3.39Å; D382-P384 WeakPolarHBondContact OD2-CG 3.27Å; P384-K386 PolarHBondContact O-N 3.47Å
385	Y	90.8	Very high	88.4	Confident	78 Å²	78	78.3 Å²	78.3	31%	0.306	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	94.6	-173.1	-49.8	-77.7	0	0	0	109.5	K383 S393 F394 Q396 Y397 V400	K383-Y385 PolarHBondContact O-N 3.26Å; K383-Y385 VanDerWaalsContact O-N 3.1Å; Y385-S393 CarbonylContact O-C 3.55Å; Y385-S393 WeakPolarHBondContact O-CA 3.38Å; Y385-F394 WeakPolarHBondContact CD2-O 3.4Å; Y385-F394 PolarHBondContact N-O 3.13Å; Y385-F394 PolarHBondContact O-N 3.32Å; Y385-Q396 VanDerWaalsContact CD2-C 3.45Å; Y385-Y397 HydrophobicContact CD1-CD2 4.08Å; Y385-Y397 HydrophobicContact CD1-CG 4.49Å; Y385-Y397 HydrophobicContact CE1-CD2 4.49Å; Y385-V400 HydrophobicContact CG-CG2 4.49Å; Y385-V400 WeakPolarHBondContact O-CG2 3.34Å
386	K	87.5	Confident	88.3	Confident	146 Å²	146	80.5 Å²	80.5	64%	0.635	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.5	176.9	-51.6	-165.7	176.4	177.1	0	110.4	P384 S393	P384-K386 PolarHBondContact O-N 3.47Å; K386-S393 WeakPolarHBondContact CG-OG 3.46Å
387	C	90.3	Very high	88.4	Confident	10 Å²	10	83.7 Å²	83.7	7%	0.068	42%	0.416	C	S	.	.			trans	-77.1	138.7	164.3	-173.3	0	0	0	0	108.5	E389 C390 K392 H403	C387-E389 PolarHBondContact SG-N 3.16Å; C387-C390 CarbonylContact C-O 3.36Å; C387-C390 WeakPolarHBondContact CB-O 3.44Å; C387-K392 WeakPolarHBondContact CB-O 3.45Å; C387-K392 PolarHBondContact N-O 2.89Å; C387-H403 PolarHBondContact SG-NE2 3.45Å
388	N	86.2	Confident	88.3	Confident	162 Å²	162	84.5 Å²	84.5	87%	0.866	43%	0.428	S	S	*	.	S	Bend	trans	-83.5	-18.8	177.5	-65.9	-7.1	0	0	0	112.1
389	E	84.5	Confident	88.5	Confident	116 Å²	116	84.1 Å²	84.1	54%	0.542	42%	0.423	S	S	.	.	S	Bend	trans	-99.8	-8.7	-176.8	-61.6	-176.2	-136.7	0	0	113.3	C387 H407	C387-E389 PolarHBondContact SG-N 3.16Å; E389-H407 WeakPolarHBondContact OE2-CB 3.24Å; E389-H407 IonicContact OE2-CG 3.46Å; E389-H407 IonicContact OE2-ND1 3.44Å; E389-H407 PolarHBondContact OE2-ND1 2.9Å
390	C	89.7	Confident	88.5	Confident	41 Å²	41	81.3 Å²	81.3	28%	0.277	41%	0.411	S	S	.	.	S	Bend	trans	-154.4	166.6	168.1	69.3	0	0	0	0	111.6	C387 K392 H403 H407	C387-C390 CarbonylContact C-O 3.36Å; C387-C390 WeakPolarHBondContact CB-O 3.44Å; C390-K392 PolarHBondContact O-N 2.91Å; C390-H403 VanDerWaalsContact SG-CE1 3.6Å; C390-H403 PolarHBondContact SG-NE2 3.46Å; C390-H407 PolarHBondContact SG-NE2 3.46Å; C390-H407 VanDerWaalsContact SG-NE2 3.36Å
391	E	86.9	Confident	88.5	Confident	195 Å²	195	83.3 Å²	83.3	91%	0.911	41%	0.413	S	S	*	.	S	Bend	trans	-68.9	2.3	-177.5	-60.4	177.1	177.4	0	0	114.7	S393	E391-S393 PolarHBondContact O-N 3.02Å
392	K	89.9	Confident	88.7	Confident	123 Å²	123	83.2 Å²	83.2	54%	0.535	40%	0.404	S	S	.	.			trans	-73.5	129.1	-178	-67.6	-179.2	-178.7	172.6	0	110.9	C387 C390 F394	C387-K392 WeakPolarHBondContact CB-O 3.45Å; C387-K392 PolarHBondContact N-O 2.89Å; C390-K392 PolarHBondContact O-N 2.91Å; K392-F394 HydrophobicContact CB-CE2 3.72Å; K392-F394 HydrophobicContact CB-CZ 4.02Å
393	S	89.3	Confident	88.8	Confident	33 Å²	33	79.9 Å²	79.9	23%	0.231	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.1	175.4	-54	0	0	0	0	110.7	K383 Y385 K386 E391	K383-S393 WeakPolarHBondContact CD-O 3.49Å; Y385-S393 CarbonylContact O-C 3.55Å; Y385-S393 WeakPolarHBondContact O-CA 3.38Å; K386-S393 WeakPolarHBondContact CG-OG 3.46Å; E391-S393 PolarHBondContact O-N 3.02Å
394	F	90	Very high	88.8	Confident	42 Å²	42	78.2 Å²	78.2	18%	0.184	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.8	-171.8	-58.7	-101.6	0	0	0	112.1	K383 Y385 K392 Q396 H399 V400 H403	K383-F394 CarbonylContact C-O 3.43Å; Y385-F394 WeakPolarHBondContact CD2-O 3.4Å; Y385-F394 PolarHBondContact N-O 3.13Å; Y385-F394 PolarHBondContact O-N 3.32Å; K392-F394 HydrophobicContact CB-CE2 3.72Å; K392-F394 HydrophobicContact CB-CZ 4.02Å; F394-Q396 VanDerWaalsContact C-N 3.33Å; F394-Q396 PolarHBondContact O-N 3.05Å; F394-H399 HydrophobicContact CB-CB 4.22Å; F394-H399 HydrophobicContact CD1-CB 3.78Å; F394-H399 HydrophobicContact CG-CB 4.28Å; F394-V400 HydrophobicContact CB-CG2 3.67Å; F394-V400 HydrophobicContact CD2-CB 4.44Å; F394-V400 HydrophobicContact CD2-CG2 3.56Å; F394-V400 HydrophobicContact CE2-CG2 4.45Å; F394-V400 HydrophobicContact CG-CG2 3.83Å; F394-H403 HydrophobicContact CE1-CB 4.01Å; F394-H403 HydrophobicContact CE2-CB 3.97Å; F394-H403 AromaticContact CE2-CD2 3.31Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.44Å; F394-H403 AromaticContact CE2-CG 3.62Å; F394-H403 AromaticContact CE2-NE2 3.93Å; F394-H403 HydrophobicContact CZ-CB 3.47Å; F394-H403 VanDerWaalsContact CZ-CB 3.47Å; F394-H403 AromaticContact CZ-CD2 3.47Å; F394-H403 VanDerWaalsContact CZ-CD2 3.47Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.5Å; F394-H403 AromaticContact CZ-CG 3.24Å; F394-H403 AromaticContact CZ-ND1 3.78Å
395	F	88.4	Confident	88.9	Confident	45 Å²	45	77.3 Å²	77.3	20%	0.197	37%	0.369	C	S	.	.	S	Bend	trans	-74.4	-19.6	178.3	-60.5	-68.3	0	0	0	114.2	R377 L378 D382 K383	R377-F395 HydrophobicContact CB-CD1 3.65Å; R377-F395 HydrophobicContact CB-CE1 4.25Å; R377-F395 PolarHBondContact NH1-O 3.44Å; R377-F395 WeakPolarHBondContact O-CE1 3.38Å; L378-F395 HydrophobicContact CD2-CD1 4.34Å; L378-F395 HydrophobicContact CD2-CD2 3.63Å; L378-F395 HydrophobicContact CD2-CE1 4.21Å; L378-F395 HydrophobicContact CD2-CE2 3.46Å; L378-F395 VanDerWaalsContact CD2-CE2 3.46Å; L378-F395 HydrophobicContact CD2-CG 4.06Å; L378-F395 HydrophobicContact CD2-CZ 3.77Å; D382-F395 WeakPolarHBondContact O-CD1 3.48Å; D382-F395 WeakPolarHBondContact O-CE1 3.38Å; K383-F395 HydrophobicContact CD-CE1 4.36Å; K383-F395 HydrophobicContact CD-CZ 4.21Å; K383-F395 VanDerWaalsContact CE-CZ 3.4Å; K383-F395 HydrophobicContact CG-CD1 3.74Å; K383-F395 HydrophobicContact CG-CD2 4.48Å; K383-F395 HydrophobicContact CG-CE1 3.48Å; K383-F395 VanDerWaalsContact CG-CE1 3.48Å; K383-F395 HydrophobicContact CG-CE2 4.27Å; K383-F395 HydrophobicContact CG-CG 4.25Å; K383-F395 HydrophobicContact CG-CZ 3.79Å
396	Q	89.2	Confident	88.7	Confident	61 Å²	61	79 Å²	79	29%	0.285	38%	0.383	S	S	.	.	S	Bend	trans	-139.1	140.1	-176.3	-62.6	-177.1	44.5	0	0	111	I374 Y385 F394 S398 H399 V400	I374-Q396 HydrophobicContact CG2-CG 3.82Å; Y385-Q396 VanDerWaalsContact CD2-C 3.45Å; F394-Q396 VanDerWaalsContact C-N 3.33Å; F394-Q396 PolarHBondContact O-N 3.05Å; Q396-S398 VanDerWaalsContact C-N 3.32Å; Q396-S398 PolarHBondContact O-N 3.12Å; Q396-H399 WeakPolarHBondContact O-CB 3.48Å; Q396-H399 PolarHBondContact O-N 2.79Å; Q396-H399 VanDerWaalsContact O-N 3.15Å; Q396-V400 PolarHBondContact O-N 3.11Å
397	Y	90.1	Very high	88.7	Confident	146 Å²	146	75.3 Å²	75.3	57%	0.573	37%	0.368	S	S	*	.	H	α-helix	trans	-61.3	-36.9	178.9	-179.9	-106.1	0	0	0	113.4	Y385 H399 V400 K401	Y385-Y397 HydrophobicContact CD1-CD2 4.08Å; Y385-Y397 HydrophobicContact CD1-CG 4.49Å; Y385-Y397 HydrophobicContact CE1-CD2 4.49Å; Y397-H399 PolarHBondContact O-N 3.19Å; Y397-V400 WeakPolarHBondContact O-CB 3.49Å; Y397-V400 PolarHBondContact O-N 3.3Å; Y397-V400 VanDerWaalsContact O-N 3.11Å; Y397-K401 PolarHBondContact O-N 2.79Å
398	S	87.9	Confident	88.6	Confident	60 Å²	60	79.1 Å²	79.1	42%	0.42	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-36.2	176.1	52.1	0	0	0	0	112.3	Q396 K401 V402	Q396-S398 VanDerWaalsContact C-N 3.32Å; Q396-S398 PolarHBondContact O-N 3.12Å; S398-K401 PolarHBondContact O-N 3.26Å; S398-V402 WeakPolarHBondContact O-CG2 3.4Å; S398-V402 PolarHBondContact O-N 3.48Å; S398-V402 VanDerWaalsContact O-N 3.1Å
399	H	90.6	Very high	88.6	Confident	89 Å²	89	73.6 Å²	73.6	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-70.7	-37.4	177	-60.1	168.1	0	0	0	111.7	F394 Q396 Y397 V402 H403	F394-H399 HydrophobicContact CB-CB 4.22Å; F394-H399 HydrophobicContact CD1-CB 3.78Å; F394-H399 HydrophobicContact CG-CB 4.28Å; Q396-H399 WeakPolarHBondContact O-CB 3.48Å; Q396-H399 PolarHBondContact O-N 2.79Å; Q396-H399 VanDerWaalsContact O-N 3.15Å; Y397-H399 PolarHBondContact O-N 3.19Å; H399-V402 PolarHBondContact O-N 3.2Å; H399-H403 WeakPolarHBondContact O-CB 3.3Å; H399-H403 PolarHBondContact O-N 3.28Å
400	V	89.5	Confident	88.8	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.036	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-47.3	171.1	-175.6	0	0	0	0	110.5	Y385 F394 Q396 Y397 V402 H403 L404	Y385-V400 HydrophobicContact CG-CG2 4.49Å; Y385-V400 WeakPolarHBondContact O-CG2 3.34Å; F394-V400 HydrophobicContact CB-CG2 3.67Å; F394-V400 HydrophobicContact CD2-CB 4.44Å; F394-V400 HydrophobicContact CD2-CG2 3.56Å; F394-V400 HydrophobicContact CE2-CG2 4.45Å; F394-V400 HydrophobicContact CG-CG2 3.83Å; Q396-V400 PolarHBondContact O-N 3.11Å; Y397-V400 WeakPolarHBondContact O-CB 3.49Å; Y397-V400 PolarHBondContact O-N 3.3Å; Y397-V400 VanDerWaalsContact O-N 3.11Å; V400-V402 VanDerWaalsContact C-N 3.28Å; V400-V402 PolarHBondContact O-N 2.88Å; V400-H403 CarbonylContact O-C 3.55Å; V400-H403 WeakPolarHBondContact O-CA 3.42Å; V400-H403 WeakPolarHBondContact O-CB 3.4Å; V400-H403 PolarHBondContact O-N 3.19Å; V400-L404 HydrophobicContact CG1-CD1 4.07Å; V400-L404 HydrophobicContact CG1-CG 4.08Å; V400-L404 WeakPolarHBondContact O-CG 3.32Å; V400-L404 PolarHBondContact O-N 3.01Å
401	K	87.7	Confident	88.8	Confident	121 Å²	121	75.2 Å²	75.2	53%	0.526	38%	0.377	S	S	.	.	H	α-helix	trans	-57.7	-40.7	-179.9	-172.5	173.5	-176.2	173.9	0	112.6	Y397 S398	Y397-K401 PolarHBondContact O-N 2.79Å; S398-K401 PolarHBondContact O-N 3.26Å
402	V	89	Confident	89	Confident	41 Å²	41	69 Å²	69	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-71.8	-36	174.7	174.3	0	0	0	0	111.3	S398 H399 V400 R405 Q424	S398-V402 WeakPolarHBondContact O-CG2 3.4Å; S398-V402 PolarHBondContact O-N 3.48Å; S398-V402 VanDerWaalsContact O-N 3.1Å; H399-V402 PolarHBondContact O-N 3.2Å; V400-V402 VanDerWaalsContact C-N 3.28Å; V400-V402 PolarHBondContact O-N 2.88Å; V402-R405 WeakPolarHBondContact O-CB 3.15Å; V402-R405 PolarHBondContact O-N 3.18Å; V402-Q424 HydrophobicContact CG1-CG 3.6Å
403	H	90.2	Very high	89.1	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-40.2	176.7	165.5	60.2	0	0	0	113.1	C387 C390 F394 H399 V400 R405 L406 H407	C387-H403 PolarHBondContact SG-NE2 3.45Å; C390-H403 VanDerWaalsContact SG-CE1 3.6Å; C390-H403 PolarHBondContact SG-NE2 3.46Å; F394-H403 HydrophobicContact CE1-CB 4.01Å; F394-H403 HydrophobicContact CE2-CB 3.97Å; F394-H403 AromaticContact CE2-CD2 3.31Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.44Å; F394-H403 AromaticContact CE2-CG 3.62Å; F394-H403 AromaticContact CE2-NE2 3.93Å; F394-H403 HydrophobicContact CZ-CB 3.47Å; F394-H403 VanDerWaalsContact CZ-CB 3.47Å; F394-H403 AromaticContact CZ-CD2 3.47Å; F394-H403 VanDerWaalsContact CZ-CD2 3.47Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.5Å; F394-H403 AromaticContact CZ-CG 3.24Å; F394-H403 AromaticContact CZ-ND1 3.78Å; H399-H403 WeakPolarHBondContact O-CB 3.3Å; H399-H403 PolarHBondContact O-N 3.28Å; V400-H403 CarbonylContact O-C 3.55Å; V400-H403 WeakPolarHBondContact O-CA 3.42Å; V400-H403 WeakPolarHBondContact O-CB 3.4Å; V400-H403 PolarHBondContact O-N 3.19Å; H403-R405 PolarHBondContact O-N 3.19Å; H403-R405 VanDerWaalsContact O-N 3.14Å; H403-L406 VanDerWaalsContact O-CB 3.23Å; H403-L406 WeakPolarHBondContact O-CB 3.37Å; H403-L406 WeakPolarHBondContact O-CG 3.46Å; H403-L406 PolarHBondContact O-N 3.19Å; H403-H407 AromaticContact CE1-CD2 3.87Å; H403-H407 AromaticContact CE1-NE2 3.42Å; H403-H407 PolarHBondContact CE1-NE2 3.32Å; H403-H407 AromaticContact NE2-CD2 3.79Å; H403-H407 AromaticContact NE2-NE2 3.34Å; H403-H407 PolarHBondContact NE2-NE2 2.99Å
404	L	88.6	Confident	89.2	Confident	55 Å²	55	71.1 Å²	71.1	29%	0.288	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-27.9	177.4	-72.3	171	0	0	0	112.4	V400 L406 H407 T408	V400-L404 HydrophobicContact CG1-CD1 4.07Å; V400-L404 HydrophobicContact CG1-CG 4.08Å; V400-L404 WeakPolarHBondContact O-CG 3.32Å; V400-L404 PolarHBondContact O-N 3.01Å; L404-L406 PolarHBondContact O-N 3.37Å; L404-H407 WeakPolarHBondContact O-CB 3.34Å; L404-H407 PolarHBondContact O-N 3.42Å; L404-T408 PolarHBondContact O-N 3.38Å; L404-T408 PolarHBondContact O-OG1 3.17Å
405	R	90.4	Very high	89.4	Confident	41 Å²	41	69.1 Å²	69.1	16%	0.155	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-22.3	173.1	-64.8	178.6	178.7	157.1	-0.1	114	V402 H403 H407 T408 G409 D410 T423	V402-R405 WeakPolarHBondContact O-CB 3.15Å; V402-R405 PolarHBondContact O-N 3.18Å; H403-R405 PolarHBondContact O-N 3.19Å; H403-R405 VanDerWaalsContact O-N 3.14Å; R405-H407 VanDerWaalsContact C-N 3.31Å; R405-T408 WeakPolarHBondContact CA-OG1 3.1Å; R405-G409 CarbonylContact O-C 3.48Å; R405-G409 WeakPolarHBondContact O-CA 3.22Å; R405-G409 PolarHBondContact O-N 3.44Å; R405-G409 VanDerWaalsContact O-N 3.13Å; R405-D410 WeakPolarHBondContact CB-O 3.46Å; R405-D410 HydrophobicContact CG-CB 4.44Å; R405-D410 PolarHBondContact O-N 2.89Å; R405-T423 HydrophobicContact CB-CG2 4.24Å; R405-T423 WeakPolarHBondContact CD-O 3.41Å; R405-T423 PolarHBondContact NH1-O 2.87Å
406	L	86.3	Confident	89.5	Confident	115 Å²	115	74.2 Å²	74.2	60%	0.602	38%	0.377	S	S	*	.	H	α-helix	trans	-71.1	-31.2	173.2	-61.3	176.9	0	0	0	111.5	H403 L404	H403-L406 VanDerWaalsContact O-CB 3.23Å; H403-L406 WeakPolarHBondContact O-CB 3.37Å; H403-L406 WeakPolarHBondContact O-CG 3.46Å; H403-L406 PolarHBondContact O-N 3.19Å; L404-L406 PolarHBondContact O-N 3.37Å
407	H	88.4	Confident	89.4	Confident	67 Å²	67	77.5 Å²	77.5	31%	0.31	39%	0.392	S	S	.	.	H	α-helix	trans	-80.1	-49.7	178.1	-72.3	-80.2	0	0	0	111.9	E389 C390 H403 L404 R405 G409	E389-H407 WeakPolarHBondContact OE2-CB 3.24Å; E389-H407 IonicContact OE2-CG 3.46Å; E389-H407 IonicContact OE2-ND1 3.44Å; E389-H407 PolarHBondContact OE2-ND1 2.9Å; C390-H407 PolarHBondContact SG-NE2 3.46Å; C390-H407 VanDerWaalsContact SG-NE2 3.36Å; H403-H407 AromaticContact CE1-CD2 3.87Å; H403-H407 AromaticContact CE1-NE2 3.42Å; H403-H407 PolarHBondContact CE1-NE2 3.32Å; H403-H407 AromaticContact NE2-CD2 3.79Å; H403-H407 AromaticContact NE2-NE2 3.34Å; H403-H407 PolarHBondContact NE2-NE2 2.99Å; L404-H407 WeakPolarHBondContact O-CB 3.34Å; L404-H407 PolarHBondContact O-N 3.42Å; R405-H407 VanDerWaalsContact C-N 3.31Å; H407-G409 PolarHBondContact O-N 3.12Å
408	T	87.7	Confident	89.5	Confident	91 Å²	91	73 Å²	73	56%	0.558	38%	0.382	S	S	*	.	H	α-helix	trans	-71.1	-12.8	179.4	62.7	0	0	0	0	113	L404 R405 D410	L404-T408 PolarHBondContact O-N 3.38Å; L404-T408 PolarHBondContact O-OG1 3.17Å; R405-T408 WeakPolarHBondContact CA-OG1 3.1Å; T408-D410 PolarHBondContact O-N 3.29Å; T408-D410 VanDerWaalsContact O-N 3.15Å; T408-D410 WeakPolarHBondContact OG1-CB 3.13Å; T408-D410 PolarHBondContact OG1-N 3.36Å
409	G	85.5	Confident	89.6	Confident	46 Å²	46	71.8 Å²	71.8	47%	0.474	38%	0.379	S	S	.	.			trans	67.9	4.2	-170.9	0	0	0	0	0	113.8	R405 H407 K411	R405-G409 CarbonylContact O-C 3.48Å; R405-G409 WeakPolarHBondContact O-CA 3.22Å; R405-G409 PolarHBondContact O-N 3.44Å; R405-G409 VanDerWaalsContact O-N 3.13Å; H407-G409 PolarHBondContact O-N 3.12Å; G409-K411 PolarHBondContact O-N 3.06Å
410	D	88.9	Confident	89.6	Confident	76 Å²	76	73.3 Å²	73.3	41%	0.406	38%	0.384	S	S	.	.			trans	-62.9	121	-175.4	178.7	27.9	0	0	0	111.2	R405 T408 P412	R405-D410 WeakPolarHBondContact CB-O 3.46Å; R405-D410 HydrophobicContact CG-CB 4.44Å; R405-D410 PolarHBondContact O-N 2.89Å; T408-D410 PolarHBondContact O-N 3.29Å; T408-D410 VanDerWaalsContact O-N 3.15Å; T408-D410 WeakPolarHBondContact OG1-CB 3.13Å; T408-D410 PolarHBondContact OG1-N 3.36Å; D410-P412 WeakPolarHBondContact OD1-CD 3.34Å; D410-P412 WeakPolarHBondContact OD1-CG 3.41Å; D410-P412 WeakPolarHBondContact OD2-CG 3.45Å
411	K	91.1	Very high	89.8	Confident	115 Å²	115	75 Å²	75	50%	0.5	40%	0.396	S	S	.	.			trans	-126.1	75.3	179.9	-73	165.9	177.5	176.1	0	109.4	G409 Y413 S421 F422 T423	G409-K411 PolarHBondContact O-N 3.06Å; K411-Y413 PolarHBondContact O-N 3.26Å; K411-Y413 VanDerWaalsContact O-N 3.1Å; K411-S421 WeakPolarHBondContact CD-O 3.45Å; K411-S421 WeakPolarHBondContact O-CB 3.11Å; K411-F422 CarbonylContact C-O 3.52Å; K411-F422 VanDerWaalsContact C-O 3.31Å; K411-F422 WeakPolarHBondContact CA-O 3.36Å; K411-T423 HydrophobicContact CG-CG2 3.81Å
412	P	90.1	Very high	90	Very high	63 Å²	63	71.3 Å²	71.3	41%	0.409	38%	0.38	S	S	.	.			trans	-63.7	-22.7	-172.1	-22.7	32.8	0	0	0	114.2	D410 K414	D410-P412 WeakPolarHBondContact OD1-CD 3.34Å; D410-P412 WeakPolarHBondContact OD1-CG 3.41Å; D410-P412 WeakPolarHBondContact OD2-CG 3.45Å; P412-K414 PolarHBondContact O-N 3.11Å
413	Y	93.1	Very high	90	Very high	74 Å²	74	70.6 Å²	70.6	29%	0.29	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	88.1	-171.1	-54.7	-72.6	0	0	0	110.3	K411 S421 F422 Y425	K411-Y413 PolarHBondContact O-N 3.26Å; K411-Y413 VanDerWaalsContact O-N 3.1Å; Y413-S421 CarbonylContact O-C 3.5Å; Y413-S421 WeakPolarHBondContact O-CA 3.3Å; Y413-F422 WeakPolarHBondContact CD2-O 3.33Å; Y413-F422 PolarHBondContact N-O 3.2Å; Y413-F422 PolarHBondContact O-N 2.82Å; Y413-Y425 AromaticContact CD1-CD2 3.86Å; Y413-Y425 HydrophobicContact CD1-CD2 3.86Å; Y413-Y425 HydrophobicContact CD1-CG 4.42Å; Y413-Y425 VanDerWaalsContact CD2-N 3.35Å; Y413-Y425 HydrophobicContact CE1-CD2 4.11Å; Y413-Y425 HydrophobicContact CE1-CG 4.41Å
414	K	91.1	Very high	90.1	Very high	127 Å²	127	73.6 Å²	73.6	55%	0.552	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.5	177.8	-172.6	173.5	179.4	-174.8	0	111.7	P412 S421	P412-K414 PolarHBondContact O-N 3.11Å; K414-S421 WeakPolarHBondContact CG-OG 3.36Å
415	C	93.2	Very high	90.3	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.399	C	S	.	.			trans	-79.9	122.8	166.6	174.5	0	0	0	0	109.3	E417 C418 G419 K420 L428 H431 H435	C415-E417 VanDerWaalsContact C-N 3.34Å; C415-E417 PolarHBondContact O-N 3.27Å; C415-C418 VanDerWaalsContact SG-SG 3.64Å; C415-G419 WeakPolarHBondContact O-CA 3.11Å; C415-G419 PolarHBondContact O-N 3.43Å; C415-K420 VanDerWaalsContact CB-O 3.31Å; C415-K420 WeakPolarHBondContact CB-O 3.45Å; C415-K420 PolarHBondContact N-O 2.8Å; C415-L428 HydrophobicContact CB-CD1 3.62Å; C415-H431 PolarHBondContact SG-NE2 3.32Å; C415-H431 VanDerWaalsContact SG-NE2 3.39Å; C415-H435 PolarHBondContact SG-NE2 3.45Å
416	N	90.9	Very high	90.3	Very high	153 Å²	153	77.9 Å²	77.9	82%	0.818	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.4	-178.2	-65.4	-10.3	0	0	0	112.8
417	E	87.3	Confident	90.5	Very high	129 Å²	129	75.3 Å²	75.3	60%	0.603	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-31.9	-176.6	-66.7	166.5	149.4	0	0	113.6	C415 H435	C415-E417 VanDerWaalsContact C-N 3.34Å; C415-E417 PolarHBondContact O-N 3.27Å; E417-H435 WeakPolarHBondContact OE2-CB 3.41Å; E417-H435 IonicContact OE2-CD2 3.62Å; E417-H435 PolarHBondContact OE2-CD2 2.77Å; E417-H435 IonicContact OE2-CG 3.7Å; E417-H435 IonicContact OE2-NE2 3.81Å
418	C	91.3	Very high	90.7	Very high	53 Å²	53	72.7 Å²	72.7	36%	0.358	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	3.1	-177.5	76.1	0	0	0	0	115	C415 K420 H431 H435	C415-C418 VanDerWaalsContact SG-SG 3.64Å; C418-K420 PolarHBondContact O-N 3.48Å; C418-K420 VanDerWaalsContact SG-CG 3.59Å; C418-H431 VanDerWaalsContact SG-CE1 3.5Å; C418-H431 PolarHBondContact SG-NE2 3.37Å; C418-H435 PolarHBondContact SG-NE2 2.87Å
419	G	90.1	Very high	90.9	Very high	34 Å²	34	73 Å²	73	35%	0.351	38%	0.381	S	S	.	.			trans	70.8	-7.8	-179.8	0	0	0	0	0	115.7	C415 S421	C415-G419 WeakPolarHBondContact O-CA 3.11Å; C415-G419 PolarHBondContact O-N 3.43Å; G419-S421 PolarHBondContact O-N 3.19Å; G419-S421 PolarHBondContact O-OG 3.47Å
420	K	92	Very high	91.1	Very high	121 Å²	121	72.4 Å²	72.4	53%	0.526	37%	0.369	S	S	.	.			trans	-62.5	132	179.7	-71.1	-179.7	-177.9	172.3	0	110.7	C415 C418 F422	C415-K420 VanDerWaalsContact CB-O 3.31Å; C415-K420 WeakPolarHBondContact CB-O 3.45Å; C415-K420 PolarHBondContact N-O 2.8Å; C418-K420 PolarHBondContact O-N 3.48Å; C418-K420 VanDerWaalsContact SG-CG 3.59Å; K420-F422 HydrophobicContact CB-CE2 3.98Å; K420-F422 HydrophobicContact CB-CZ 4.08Å; K420-F422 WeakPolarHBondContact O-CE2 3.43Å
421	S	92.2	Very high	91.3	Very high	42 Å²	42	69.7 Å²	69.7	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.6	-177.7	-57.7	0	0	0	0	111.7	K411 Y413 K414 G419	K411-S421 WeakPolarHBondContact CD-O 3.45Å; K411-S421 WeakPolarHBondContact O-CB 3.11Å; Y413-S421 CarbonylContact O-C 3.5Å; Y413-S421 WeakPolarHBondContact O-CA 3.3Å; K414-S421 WeakPolarHBondContact CG-OG 3.36Å; G419-S421 PolarHBondContact O-N 3.19Å; G419-S421 PolarHBondContact O-OG 3.47Å
422	F	92.3	Very high	91.2	Very high	43 Å²	43	67.1 Å²	67.1	19%	0.189	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150	-173.9	-59.1	-89.6	0	0	0	111.5	K411 Y413 K420 Q424 D427 L428 H431	K411-F422 CarbonylContact C-O 3.52Å; K411-F422 VanDerWaalsContact C-O 3.31Å; K411-F422 WeakPolarHBondContact CA-O 3.36Å; Y413-F422 WeakPolarHBondContact CD2-O 3.33Å; Y413-F422 PolarHBondContact N-O 3.2Å; Y413-F422 PolarHBondContact O-N 2.82Å; K420-F422 HydrophobicContact CB-CE2 3.98Å; K420-F422 HydrophobicContact CB-CZ 4.08Å; K420-F422 WeakPolarHBondContact O-CE2 3.43Å; F422-Q424 VanDerWaalsContact C-N 3.34Å; F422-D427 HydrophobicContact CB-CB 4.11Å; F422-D427 HydrophobicContact CD1-CB 3.84Å; F422-D427 HydrophobicContact CG-CB 4.2Å; F422-L428 HydrophobicContact CB-CB 4.37Å; F422-L428 HydrophobicContact CD2-CB 3.88Å; F422-L428 HydrophobicContact CD2-CD1 3.81Å; F422-L428 HydrophobicContact CD2-CG 4.46Å; F422-L428 HydrophobicContact CE2-CD1 3.98Å; F422-L428 HydrophobicContact CG-CB 4.32Å; F422-H431 HydrophobicContact CE1-CB 3.97Å; F422-H431 HydrophobicContact CE2-CB 3.77Å; F422-H431 AromaticContact CE2-CD2 3.42Å; F422-H431 VanDerWaalsContact CE2-CD2 3.42Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.42Å; F422-H431 AromaticContact CE2-CG 3.49Å; F422-H431 VanDerWaalsContact CE2-CG 3.49Å; F422-H431 HydrophobicContact CZ-CB 3.4Å; F422-H431 VanDerWaalsContact CZ-CB 3.4Å; F422-H431 AromaticContact CZ-CD2 3.61Å; F422-H431 AromaticContact CZ-CG 3.19Å; F422-H431 AromaticContact CZ-ND1 3.5Å; F422-H431 WeakPolarHBondContact CZ-ND1 3.47Å
423	T	90.3	Very high	91.3	Very high	25 Å²	25	66.8 Å²	66.8	15%	0.153	33%	0.334	C	S	.	.	S	Bend	trans	-76.9	-21.9	177.4	57.3	0	0	0	0	112.2	R405 K411	R405-T423 HydrophobicContact CB-CG2 4.24Å; R405-T423 WeakPolarHBondContact CD-O 3.41Å; R405-T423 PolarHBondContact NH1-O 2.87Å; K411-T423 HydrophobicContact CG-CG2 3.81Å
424	Q	91.4	Very high	91.1	Very high	75 Å²	75	68 Å²	68	35%	0.35	34%	0.344	S	S	.	.	S	Bend	trans	-129.7	147.3	178.1	-57.7	-175.9	52	0	0	112.2	V402 F422 S426 D427 L428	V402-Q424 HydrophobicContact CG1-CG 3.6Å; F422-Q424 VanDerWaalsContact C-N 3.34Å; Q424-S426 PolarHBondContact O-N 2.86Å; Q424-D427 PolarHBondContact O-N 3.5Å; Q424-L428 PolarHBondContact O-N 3.44Å
425	Y	92.4	Very high	91	Very high	125 Å²	125	65.3 Å²	65.3	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-36	179.2	-179.1	-103.5	0	0	0	112.9	Y413 D427 L428 K429	Y413-Y425 AromaticContact CD1-CD2 3.86Å; Y413-Y425 HydrophobicContact CD1-CD2 3.86Å; Y413-Y425 HydrophobicContact CD1-CG 4.42Å; Y413-Y425 VanDerWaalsContact CD2-N 3.35Å; Y413-Y425 HydrophobicContact CE1-CD2 4.11Å; Y413-Y425 HydrophobicContact CE1-CG 4.41Å; Y425-D427 VanDerWaalsContact C-N 3.27Å; Y425-D427 PolarHBondContact O-N 2.9Å; Y425-L428 PolarHBondContact O-N 3.38Å; Y425-K429 HydrophobicContact CD1-CG 4.03Å; Y425-K429 HydrophobicContact CE1-CD 4.3Å; Y425-K429 HydrophobicContact CE1-CG 3.55Å; Y425-K429 HydrophobicContact CE2-CG 4.47Å; Y425-K429 VanDerWaalsContact CZ-CE 3.42Å; Y425-K429 PolarHBondContact O-N 3.16Å; Y425-K429 WeakPolarHBondContact OH-CE 3.2Å
426	S	90.1	Very high	90.8	Very high	62 Å²	62	69.7 Å²	69.7	43%	0.434	36%	0.36	S	S	.	.	H	α-helix	trans	-59.3	-38.9	175.2	43.7	0	0	0	0	111.9	Q424 K429 V430	Q424-S426 PolarHBondContact O-N 2.86Å; S426-K429 PolarHBondContact O-N 3.05Å; S426-V430 VanDerWaalsContact O-CG2 3.3Å; S426-V430 WeakPolarHBondContact O-CG2 3.44Å; S426-V430 PolarHBondContact O-N 3.36Å
427	D	92	Very high	90.6	Very high	61 Å²	61	64.7 Å²	64.7	33%	0.326	35%	0.345	S	S	.	.	H	α-helix	trans	-68.1	-41.7	177.6	-64	-36.1	0	0	0	111.3	F422 Q424 Y425 V430 H431	F422-D427 HydrophobicContact CB-CB 4.11Å; F422-D427 HydrophobicContact CD1-CB 3.84Å; F422-D427 HydrophobicContact CG-CB 4.2Å; Q424-D427 PolarHBondContact O-N 3.5Å; Y425-D427 VanDerWaalsContact C-N 3.27Å; Y425-D427 PolarHBondContact O-N 2.9Å; D427-V430 PolarHBondContact O-N 3.46Å; D427-H431 WeakPolarHBondContact O-CB 3.47Å; D427-H431 PolarHBondContact O-N 3.11Å
428	L	92.3	Very high	90.7	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-47.3	171.5	174.1	63.7	0	0	0	111.2	C415 F422 Q424 Y425 V430 H431 Q432	C415-L428 HydrophobicContact CB-CD1 3.62Å; F422-L428 HydrophobicContact CB-CB 4.37Å; F422-L428 HydrophobicContact CD2-CB 3.88Å; F422-L428 HydrophobicContact CD2-CD1 3.81Å; F422-L428 HydrophobicContact CD2-CG 4.46Å; F422-L428 HydrophobicContact CE2-CD1 3.98Å; F422-L428 HydrophobicContact CG-CB 4.32Å; Q424-L428 PolarHBondContact O-N 3.44Å; Y425-L428 PolarHBondContact O-N 3.38Å; L428-V430 VanDerWaalsContact C-N 3.34Å; L428-V430 PolarHBondContact O-N 2.9Å; L428-H431 CarbonylContact O-C 3.51Å; L428-H431 WeakPolarHBondContact O-CA 3.5Å; L428-H431 WeakPolarHBondContact O-CB 3.43Å; L428-H431 PolarHBondContact O-N 3.5Å; L428-H431 VanDerWaalsContact O-N 3.1Å; L428-Q432 HydrophobicContact CD1-CG 4.2Å; L428-Q432 HydrophobicContact CG-CG 4.44Å; L428-Q432 WeakPolarHBondContact O-CG 3.41Å; L428-Q432 PolarHBondContact O-N 2.78Å
429	K	91.2	Very high	90.7	Very high	98 Å²	98	64.9 Å²	64.9	43%	0.426	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-43	179.4	-86.4	-73.7	174.8	-169.8	0	112.8	Y425 S426 H431 Q432	Y425-K429 HydrophobicContact CD1-CG 4.03Å; Y425-K429 HydrophobicContact CE1-CD 4.3Å; Y425-K429 HydrophobicContact CE1-CG 3.55Å; Y425-K429 HydrophobicContact CE2-CG 4.47Å; Y425-K429 VanDerWaalsContact CZ-CE 3.42Å; Y425-K429 PolarHBondContact O-N 3.16Å; Y425-K429 WeakPolarHBondContact OH-CE 3.2Å; S426-K429 PolarHBondContact O-N 3.05Å; K429-H431 VanDerWaalsContact C-N 3.31Å; K429-Q432 PolarHBondContact O-N 3.46Å
430	V	90.9	Very high	90.7	Very high	34 Å²	34	66 Å²	66	21%	0.206	34%	0.342	C	S	.	.	H	α-helix	trans	-70.1	-32.8	176	173.6	0	0	0	0	111.1	S426 D427 L428 R433 R452	S426-V430 VanDerWaalsContact O-CG2 3.3Å; S426-V430 WeakPolarHBondContact O-CG2 3.44Å; S426-V430 PolarHBondContact O-N 3.36Å; D427-V430 PolarHBondContact O-N 3.46Å; L428-V430 VanDerWaalsContact C-N 3.34Å; L428-V430 PolarHBondContact O-N 2.9Å; V430-R433 WeakPolarHBondContact O-CB 3.5Å; V430-R452 HydrophobicContact CG1-CG 3.89Å
431	H	91.4	Very high	90.8	Very high	19 Å²	19	64 Å²	64	9%	0.088	33%	0.332	C	S	.	.	H	α-helix	trans	-66.8	-43	173.6	165.4	77.3	0	0	0	112.4	C415 C418 F422 D427 L428 K429 R433 I434 H435	C415-H431 PolarHBondContact SG-NE2 3.32Å; C415-H431 VanDerWaalsContact SG-NE2 3.39Å; C418-H431 VanDerWaalsContact SG-CE1 3.5Å; C418-H431 PolarHBondContact SG-NE2 3.37Å; F422-H431 HydrophobicContact CE1-CB 3.97Å; F422-H431 HydrophobicContact CE2-CB 3.77Å; F422-H431 AromaticContact CE2-CD2 3.42Å; F422-H431 VanDerWaalsContact CE2-CD2 3.42Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.42Å; F422-H431 AromaticContact CE2-CG 3.49Å; F422-H431 VanDerWaalsContact CE2-CG 3.49Å; F422-H431 HydrophobicContact CZ-CB 3.4Å; F422-H431 VanDerWaalsContact CZ-CB 3.4Å; F422-H431 AromaticContact CZ-CD2 3.61Å; F422-H431 AromaticContact CZ-CG 3.19Å; F422-H431 AromaticContact CZ-ND1 3.5Å; F422-H431 WeakPolarHBondContact CZ-ND1 3.47Å; D427-H431 WeakPolarHBondContact O-CB 3.47Å; D427-H431 PolarHBondContact O-N 3.11Å; L428-H431 CarbonylContact O-C 3.51Å; L428-H431 WeakPolarHBondContact O-CA 3.5Å; L428-H431 WeakPolarHBondContact O-CB 3.43Å; L428-H431 PolarHBondContact O-N 3.5Å; L428-H431 VanDerWaalsContact O-N 3.1Å; K429-H431 VanDerWaalsContact C-N 3.31Å; H431-R433 PolarHBondContact O-N 3.28Å; H431-I434 WeakPolarHBondContact CE1-CD1 3.49Å; H431-I434 WeakPolarHBondContact ND1-CD1 3.41Å; H431-I434 WeakPolarHBondContact O-CG1 3.43Å; H431-I434 WeakPolarHBondContact O-CG2 3.42Å; H431-I434 PolarHBondContact O-N 3.41Å; H431-H435 AromaticContact CE1-NE2 3.67Å; H431-H435 AromaticContact NE2-CD2 3.98Å; H431-H435 AromaticContact NE2-NE2 3.19Å; H431-H435 PolarHBondContact NE2-NE2 3.22Å; H431-H435 VanDerWaalsContact NE2-NE2 3.19Å
432	Q	90.2	Very high	90.7	Very high	61 Å²	61	68.8 Å²	68.8	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-54.6	-27.4	179.4	-76.6	177.5	-37.2	0	0	113	L428 K429 I434 H435 T436	L428-Q432 HydrophobicContact CD1-CG 4.2Å; L428-Q432 HydrophobicContact CG-CG 4.44Å; L428-Q432 WeakPolarHBondContact O-CG 3.41Å; L428-Q432 PolarHBondContact O-N 2.78Å; K429-Q432 PolarHBondContact O-N 3.46Å; Q432-I434 PolarHBondContact O-N 3.41Å; Q432-I434 VanDerWaalsContact O-N 3.13Å; Q432-H435 PolarHBondContact O-N 2.76Å; Q432-T436 PolarHBondContact O-N 3.16Å
433	R	91.2	Very high	90.6	Very high	55 Å²	55	67.4 Å²	67.4	21%	0.208	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-19.4	173.9	-64.8	-178.3	176.2	157.6	3.4	114.5	V430 H431 H435 T436 G437 D438 T451	V430-R433 WeakPolarHBondContact O-CB 3.5Å; H431-R433 PolarHBondContact O-N 3.28Å; R433-H435 VanDerWaalsContact C-N 3.32Å; R433-T436 WeakPolarHBondContact CA-OG1 3.37Å; R433-G437 CarbonylContact O-C 3.57Å; R433-G437 WeakPolarHBondContact O-CA 3.42Å; R433-G437 PolarHBondContact O-N 2.89Å; R433-G437 VanDerWaalsContact O-N 3.1Å; R433-D438 WeakPolarHBondContact CB-O 3.44Å; R433-D438 HydrophobicContact CG-CB 4.39Å; R433-D438 PolarHBondContact O-N 2.81Å; R433-T451 HydrophobicContact CB-CG2 4.28Å; R433-T451 PolarHBondContact NH1-O 3.12Å
434	I	89.4	Confident	90.6	Very high	100 Å²	100	74 Å²	74	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-72.7	-30	175.4	79.5	-179.2	0	0	0	111.9	H431 Q432	H431-I434 WeakPolarHBondContact CE1-CD1 3.49Å; H431-I434 WeakPolarHBondContact ND1-CD1 3.41Å; H431-I434 WeakPolarHBondContact O-CG1 3.43Å; H431-I434 WeakPolarHBondContact O-CG2 3.42Å; H431-I434 PolarHBondContact O-N 3.41Å; Q432-I434 PolarHBondContact O-N 3.41Å; Q432-I434 VanDerWaalsContact O-N 3.13Å
435	H	89.9	Confident	90.3	Very high	70 Å²	70	75.6 Å²	75.6	32%	0.324	39%	0.385	S	S	.	.	H	α-helix	trans	-85.9	-43	-178.6	-57.2	-54.2	0	0	0	110.6	C415 E417 C418 H431 Q432 R433 G437	C415-H435 PolarHBondContact SG-NE2 3.45Å; E417-H435 WeakPolarHBondContact OE2-CB 3.41Å; E417-H435 IonicContact OE2-CD2 3.62Å; E417-H435 PolarHBondContact OE2-CD2 2.77Å; E417-H435 IonicContact OE2-CG 3.7Å; E417-H435 IonicContact OE2-NE2 3.81Å; C418-H435 PolarHBondContact SG-NE2 2.87Å; H431-H435 AromaticContact CE1-NE2 3.67Å; H431-H435 AromaticContact NE2-CD2 3.98Å; H431-H435 AromaticContact NE2-NE2 3.19Å; H431-H435 PolarHBondContact NE2-NE2 3.22Å; H431-H435 VanDerWaalsContact NE2-NE2 3.19Å; Q432-H435 PolarHBondContact O-N 2.76Å; R433-H435 VanDerWaalsContact C-N 3.32Å; H435-G437 PolarHBondContact O-N 3.08Å
436	T	88.7	Confident	90.2	Very high	93 Å²	93	71.4 Å²	71.4	57%	0.571	37%	0.373	S	S	*	.	H	α-helix	trans	-74.3	-13.5	176	65.5	0	0	0	0	113.1	Q432 R433 D438	Q432-T436 PolarHBondContact O-N 3.16Å; R433-T436 WeakPolarHBondContact CA-OG1 3.37Å; T436-D438 PolarHBondContact O-N 3.41Å; T436-D438 VanDerWaalsContact O-N 3.11Å; T436-D438 WeakPolarHBondContact OG1-CB 3.16Å; T436-D438 PolarHBondContact OG1-N 3.25Å
437	G	86.7	Confident	90	Very high	47 Å²	47	77.8 Å²	77.8	49%	0.485	40%	0.396	S	S	.	.			trans	66.1	5.6	-171.1	0	0	0	0	0	114.1	R433 H435 K439	R433-G437 CarbonylContact O-C 3.57Å; R433-G437 WeakPolarHBondContact O-CA 3.42Å; R433-G437 PolarHBondContact O-N 2.89Å; R433-G437 VanDerWaalsContact O-N 3.1Å; H435-G437 PolarHBondContact O-N 3.08Å; G437-K439 PolarHBondContact O-N 3.37Å
438	D	89.3	Confident	90	Very high	76 Å²	76	80.8 Å²	80.8	41%	0.406	41%	0.407	S	S	.	.			trans	-64	121.5	-173.2	177.8	29.6	0	0	0	111.6	R433 T436 P440	R433-D438 WeakPolarHBondContact CB-O 3.44Å; R433-D438 HydrophobicContact CG-CB 4.39Å; R433-D438 PolarHBondContact O-N 2.81Å; T436-D438 PolarHBondContact O-N 3.41Å; T436-D438 VanDerWaalsContact O-N 3.11Å; T436-D438 WeakPolarHBondContact OG1-CB 3.16Å; T436-D438 PolarHBondContact OG1-N 3.25Å; D438-P440 WeakPolarHBondContact O-CD 3.36Å; D438-P440 WeakPolarHBondContact OD1-CD 3.45Å; D438-P440 WeakPolarHBondContact OD1-CG 3.38Å; D438-P440 WeakPolarHBondContact OD2-CG 3.31Å
439	K	91.3	Very high	89.9	Confident	110 Å²	110	81.9 Å²	81.9	48%	0.478	42%	0.415	S	S	.	.			trans	-125.5	76.7	179.6	-71.7	163.9	175.5	178.5	0	109.3	G437 Y441 S449 F450 T451	G437-K439 PolarHBondContact O-N 3.37Å; K439-Y441 PolarHBondContact O-N 2.85Å; K439-Y441 VanDerWaalsContact O-N 3.14Å; K439-S449 WeakPolarHBondContact CD-O 3.43Å; K439-F450 CarbonylContact C-O 3.54Å; K439-F450 WeakPolarHBondContact CA-O 3.48Å; K439-T451 HydrophobicContact CG-CG2 3.84Å
440	P	90.2	Very high	90	Very high	59 Å²	59	79.2 Å²	79.2	38%	0.383	40%	0.404	S	S	.	.			trans	-63.4	-24.6	-172.4	-24.3	34.2	0	0	0	114.4	D438 K442	D438-P440 WeakPolarHBondContact O-CD 3.36Å; D438-P440 WeakPolarHBondContact OD1-CD 3.45Å; D438-P440 WeakPolarHBondContact OD1-CG 3.38Å; D438-P440 WeakPolarHBondContact OD2-CG 3.31Å; P440-K442 PolarHBondContact O-N 3.02Å
441	Y	93.1	Very high	90	Very high	77 Å²	77	79.3 Å²	79.3	30%	0.302	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	89	-172.4	-53.7	-73.3	0	0	0	109.7	K439 S449 F450 Y453	K439-Y441 PolarHBondContact O-N 2.85Å; K439-Y441 VanDerWaalsContact O-N 3.14Å; Y441-S449 CarbonylContact O-C 3.53Å; Y441-S449 WeakPolarHBondContact O-CA 3.3Å; Y441-F450 WeakPolarHBondContact CD2-O 3.49Å; Y441-F450 PolarHBondContact N-O 3.37Å; Y441-F450 PolarHBondContact O-N 2.88Å; Y441-Y453 AromaticContact CD1-CD2 3.9Å; Y441-Y453 HydrophobicContact CD1-CD2 3.9Å; Y441-Y453 HydrophobicContact CD1-CG 4.4Å; Y441-Y453 VanDerWaalsContact CD2-N 3.29Å; Y441-Y453 HydrophobicContact CE1-CD2 4.21Å; Y441-Y453 HydrophobicContact CE1-CG 4.41Å; Y441-Y453 VanDerWaalsContact CE2-N 3.35Å
442	K	90.1	Very high	90	Very high	144 Å²	144	83.8 Å²	83.8	63%	0.626	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	141	176.7	-50.5	-163	175.7	177.4	0	110.6	P440 S449 L456	P440-K442 PolarHBondContact O-N 3.02Å; K442-S449 WeakPolarHBondContact CG-OG 3.49Å; K442-L456 WeakPolarHBondContact O-CD2 3.49Å
443	C	91.6	Very high	90.1	Very high	13 Å²	13	87.6 Å²	87.6	9%	0.088	43%	0.433	C	S	.	.			trans	-78.1	139.8	165.2	-175.4	0	0	0	0	108.8	E445 C446 K448 L456	C443-E445 PolarHBondContact SG-N 2.89Å; C443-C446 CarbonylContact C-O 3.52Å; C443-C446 WeakPolarHBondContact CB-O 3.41Å; C443-K448 WeakPolarHBondContact CB-O 3.48Å; C443-K448 PolarHBondContact N-O 3.41Å; C443-L456 HydrophobicContact CB-CD1 3.72Å
444	N	88.6	Confident	90	Very high	164 Å²	164	88 Å²	88	88%	0.877	45%	0.445	S	S	*	.	S	Bend	trans	-86	-20.6	177.9	-65.7	-7.1	0	0	0	112.1
445	E	86.2	Confident	90.1	Very high	108 Å²	108	87.2 Å²	87.2	51%	0.505	44%	0.438	S	S	.	.	S	Bend	trans	-94.1	-12.2	-179	-64.5	176.9	-124.4	0	0	113.1	C443 H460 H463	C443-E445 PolarHBondContact SG-N 2.89Å; E445-H460 IonicContact OE1-CE1 3.64Å; E445-H460 PolarHBondContact OE1-CE1 3.28Å; E445-H460 IonicContact OE1-ND1 3.07Å; E445-H460 PolarHBondContact OE1-ND1 3.27Å; E445-H463 WeakPolarHBondContact OE2-CB 3.47Å; E445-H463 IonicContact OE2-CG 3.34Å; E445-H463 VanDerWaalsContact OE2-CG 3.28Å; E445-H463 IonicContact OE2-ND1 3.2Å; E445-H463 PolarHBondContact OE2-ND1 3.27Å
446	C	89.4	Confident	90.2	Very high	37 Å²	37	85 Å²	85	25%	0.25	43%	0.429	C	S	.	.	S	Bend	trans	-151.7	161.4	168.2	72.6	0	0	0	0	111.1	C443 K448 H459 H463	C443-C446 CarbonylContact C-O 3.52Å; C443-C446 WeakPolarHBondContact CB-O 3.41Å; C446-K448 PolarHBondContact O-N 3.47Å; C446-H459 PolarHBondContact SG-NE2 2.85Å; C446-H463 PolarHBondContact SG-NE2 2.78Å
447	E	87.4	Confident	90.3	Very high	196 Å²	196	86.3 Å²	86.3	92%	0.916	43%	0.427	S	S	*	.	S	Bend	trans	-68.9	4.2	-177.1	-60	178.4	174.6	0	0	114.6	S449	E447-S449 PolarHBondContact O-N 3.09Å
448	K	91	Very high	90.4	Very high	125 Å²	125	86.4 Å²	86.4	54%	0.543	42%	0.415	S	S	.	.			trans	-73	130.4	-179	-68.2	178.3	-179.7	168.1	0	110.8	C443 C446 F450	C443-K448 WeakPolarHBondContact CB-O 3.48Å; C443-K448 PolarHBondContact N-O 3.41Å; C446-K448 PolarHBondContact O-N 3.47Å; K448-F450 HydrophobicContact CB-CE2 3.91Å; K448-F450 HydrophobicContact CB-CZ 3.99Å
449	S	91.2	Very high	90.4	Very high	34 Å²	34	83.5 Å²	83.5	24%	0.238	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.5	176.7	-54.4	0	0	0	0	110.8	K439 Y441 K442 E447	K439-S449 WeakPolarHBondContact CD-O 3.43Å; Y441-S449 CarbonylContact O-C 3.53Å; Y441-S449 WeakPolarHBondContact O-CA 3.3Å; K442-S449 WeakPolarHBondContact CG-OG 3.49Å; E447-S449 PolarHBondContact O-N 3.09Å
450	F	91.9	Very high	90.3	Very high	42 Å²	42	82 Å²	82	18%	0.184	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.3	-174	-58.7	-91.4	0	0	0	111.7	K439 Y441 K448 R452 H455 L456 H459	K439-F450 CarbonylContact C-O 3.54Å; K439-F450 WeakPolarHBondContact CA-O 3.48Å; Y441-F450 WeakPolarHBondContact CD2-O 3.49Å; Y441-F450 PolarHBondContact N-O 3.37Å; Y441-F450 PolarHBondContact O-N 2.88Å; K448-F450 HydrophobicContact CB-CE2 3.91Å; K448-F450 HydrophobicContact CB-CZ 3.99Å; F450-R452 VanDerWaalsContact C-N 3.29Å; F450-R452 PolarHBondContact O-N 2.78Å; F450-H455 HydrophobicContact CB-CB 4.24Å; F450-H455 HydrophobicContact CD1-CB 3.89Å; F450-H455 HydrophobicContact CG-CB 4.3Å; F450-L456 HydrophobicContact CB-CB 4.34Å; F450-L456 HydrophobicContact CD2-CB 3.89Å; F450-L456 HydrophobicContact CD2-CD1 3.76Å; F450-L456 HydrophobicContact CD2-CG 4.44Å; F450-L456 HydrophobicContact CE2-CD1 3.95Å; F450-L456 HydrophobicContact CG-CB 4.29Å; F450-H459 HydrophobicContact CE1-CB 3.97Å; F450-H459 HydrophobicContact CE2-CB 3.8Å; F450-H459 AromaticContact CE2-CD2 3.28Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.32Å; F450-H459 AromaticContact CE2-CG 3.53Å; F450-H459 AromaticContact CE2-NE2 3.96Å; F450-H459 HydrophobicContact CZ-CB 3.4Å; F450-H459 VanDerWaalsContact CZ-CB 3.4Å; F450-H459 AromaticContact CZ-CD2 3.43Å; F450-H459 VanDerWaalsContact CZ-CD2 3.43Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.34Å; F450-H459 AromaticContact CZ-CG 3.18Å; F450-H459 AromaticContact CZ-ND1 3.68Å; F450-H459 AromaticContact CZ-NE2 3.99Å
451	T	90.5	Very high	90.3	Very high	36 Å²	36	81.2 Å²	81.2	22%	0.221	38%	0.383	C	S	.	.	S	Bend	trans	-76.8	-15.7	176.1	58.3	0	0	0	0	113	R433 K439	R433-T451 HydrophobicContact CB-CG2 4.28Å; R433-T451 PolarHBondContact NH1-O 3.12Å; K439-T451 HydrophobicContact CG-CG2 3.84Å
452	R	91.4	Very high	89.9	Confident	112 Å²	112	83 Å²	83	42%	0.423	40%	0.398	S	S	.	.	S	Bend	trans	-137	138.3	-178.2	-61.6	-179.3	-175.6	-169.9	-10.3	110.8	V430 F450 S454 H455 L456	V430-R452 HydrophobicContact CG1-CG 3.89Å; F450-R452 VanDerWaalsContact C-N 3.29Å; F450-R452 PolarHBondContact O-N 2.78Å; R452-S454 VanDerWaalsContact C-N 3.33Å; R452-S454 PolarHBondContact O-N 3.28Å; R452-H455 WeakPolarHBondContact O-CB 3.45Å; R452-H455 PolarHBondContact O-N 3.36Å; R452-H455 VanDerWaalsContact O-N 3.15Å; R452-L456 PolarHBondContact O-N 3.03Å
453	Y	92.3	Very high	89.8	Confident	142 Å²	142	79.4 Å²	79.4	56%	0.557	38%	0.383	S	S	*	.	H	α-helix	trans	-61.2	-38.2	178.7	-179.3	-103.1	0	0	0	113	Y441 H455 L456 K457	Y441-Y453 AromaticContact CD1-CD2 3.9Å; Y441-Y453 HydrophobicContact CD1-CD2 3.9Å; Y441-Y453 HydrophobicContact CD1-CG 4.4Å; Y441-Y453 VanDerWaalsContact CD2-N 3.29Å; Y441-Y453 HydrophobicContact CE1-CD2 4.21Å; Y441-Y453 HydrophobicContact CE1-CG 4.41Å; Y441-Y453 VanDerWaalsContact CE2-N 3.35Å; Y453-H455 VanDerWaalsContact C-N 3.25Å; Y453-H455 PolarHBondContact O-N 2.81Å; Y453-L456 HydrophobicContact CD2-CD2 4.47Å; Y453-L456 WeakPolarHBondContact O-CB 3.38Å; Y453-L456 PolarHBondContact O-N 3.16Å; Y453-L456 VanDerWaalsContact O-N 3.13Å; Y453-K457 PolarHBondContact O-N 3.08Å
454	S	90.2	Very high	89.6	Confident	64 Å²	64	82.4 Å²	82.4	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-60.9	-34.7	176.8	55.2	0	0	0	0	112.7	R452 K457 I458	R452-S454 VanDerWaalsContact C-N 3.33Å; R452-S454 PolarHBondContact O-N 3.28Å; S454-K457 PolarHBondContact O-N 3.18Å; S454-I458 VanDerWaalsContact O-CG1 3.29Å; S454-I458 WeakPolarHBondContact O-CG1 3.43Å; S454-I458 PolarHBondContact O-N 3.16Å
455	H	92	Very high	89.5	Confident	82 Å²	82	76.9 Å²	76.9	38%	0.38	38%	0.382	S	S	.	.	H	α-helix	trans	-70.8	-39.3	175.3	-63	175.5	0	0	0	111.4	F450 R452 Y453 I458 H459	F450-H455 HydrophobicContact CB-CB 4.24Å; F450-H455 HydrophobicContact CD1-CB 3.89Å; F450-H455 HydrophobicContact CG-CB 4.3Å; R452-H455 WeakPolarHBondContact O-CB 3.45Å; R452-H455 PolarHBondContact O-N 3.36Å; R452-H455 VanDerWaalsContact O-N 3.15Å; Y453-H455 VanDerWaalsContact C-N 3.25Å; Y453-H455 PolarHBondContact O-N 2.81Å; H455-I458 PolarHBondContact O-N 3.44Å; H455-H459 VanDerWaalsContact O-CB 3.25Å; H455-H459 WeakPolarHBondContact O-CB 3.34Å; H455-H459 PolarHBondContact O-N 3.25Å
456	L	92	Very high	89.6	Confident	25 Å²	25	75.4 Å²	75.4	13%	0.131	38%	0.378	C	S	.	.	H	α-helix	trans	-60.5	-44.7	171.3	174.1	64.2	0	0	0	111.1	K442 C443 F450 R452 Y453 I458 H459 H460	K442-L456 WeakPolarHBondContact O-CD2 3.49Å; C443-L456 HydrophobicContact CB-CD1 3.72Å; F450-L456 HydrophobicContact CB-CB 4.34Å; F450-L456 HydrophobicContact CD2-CB 3.89Å; F450-L456 HydrophobicContact CD2-CD1 3.76Å; F450-L456 HydrophobicContact CD2-CG 4.44Å; F450-L456 HydrophobicContact CE2-CD1 3.95Å; F450-L456 HydrophobicContact CG-CB 4.29Å; R452-L456 PolarHBondContact O-N 3.03Å; Y453-L456 HydrophobicContact CD2-CD2 4.47Å; Y453-L456 WeakPolarHBondContact O-CB 3.38Å; Y453-L456 PolarHBondContact O-N 3.16Å; Y453-L456 VanDerWaalsContact O-N 3.13Å; L456-I458 PolarHBondContact O-N 3.2Å; L456-H459 CarbonylContact O-C 3.5Å; L456-H459 WeakPolarHBondContact O-CA 3.5Å; L456-H459 WeakPolarHBondContact O-CB 3.48Å; L456-H459 PolarHBondContact O-N 3.12Å; L456-H459 VanDerWaalsContact O-N 3.11Å; L456-H460 PolarHBondContact O-N 2.86Å
457	K	90	Very high	89.6	Confident	119 Å²	119	79.1 Å²	79.1	52%	0.517	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-43.3	178.7	-173.2	173.4	-176.9	172.9	0	112.3	Y453 S454 H459 H460 R461	Y453-K457 PolarHBondContact O-N 3.08Å; S454-K457 PolarHBondContact O-N 3.18Å; K457-H459 VanDerWaalsContact C-N 3.3Å; K457-H460 PolarHBondContact O-N 2.98Å; K457-R461 PolarHBondContact O-N 3.12Å
458	I	89.2	Confident	89.7	Confident	49 Å²	49	72.7 Å²	72.7	25%	0.251	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-37.5	174.3	-67.7	165	0	0	0	110.6	S454 H455 L456 R461 Q480	S454-I458 VanDerWaalsContact O-CG1 3.29Å; S454-I458 WeakPolarHBondContact O-CG1 3.43Å; S454-I458 PolarHBondContact O-N 3.16Å; H455-I458 PolarHBondContact O-N 3.44Å; L456-I458 PolarHBondContact O-N 3.2Å; I458-R461 WeakPolarHBondContact O-CB 3.11Å; I458-R461 PolarHBondContact O-N 3.34Å; I458-Q480 HydrophobicContact CG2-CG 3.71Å
459	H	90	Very high	89.8	Confident	15 Å²	15	70.3 Å²	70.3	7%	0.069	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-40.9	177	169.5	65	0	0	0	112.7	C446 F450 H455 L456 K457 R461 L462 H463	C446-H459 PolarHBondContact SG-NE2 2.85Å; F450-H459 HydrophobicContact CE1-CB 3.97Å; F450-H459 HydrophobicContact CE2-CB 3.8Å; F450-H459 AromaticContact CE2-CD2 3.28Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.32Å; F450-H459 AromaticContact CE2-CG 3.53Å; F450-H459 AromaticContact CE2-NE2 3.96Å; F450-H459 HydrophobicContact CZ-CB 3.4Å; F450-H459 VanDerWaalsContact CZ-CB 3.4Å; F450-H459 AromaticContact CZ-CD2 3.43Å; F450-H459 VanDerWaalsContact CZ-CD2 3.43Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.34Å; F450-H459 AromaticContact CZ-CG 3.18Å; F450-H459 AromaticContact CZ-ND1 3.68Å; F450-H459 AromaticContact CZ-NE2 3.99Å; H455-H459 VanDerWaalsContact O-CB 3.25Å; H455-H459 WeakPolarHBondContact O-CB 3.34Å; H455-H459 PolarHBondContact O-N 3.25Å; L456-H459 CarbonylContact O-C 3.5Å; L456-H459 WeakPolarHBondContact O-CA 3.5Å; L456-H459 WeakPolarHBondContact O-CB 3.48Å; L456-H459 PolarHBondContact O-N 3.12Å; L456-H459 VanDerWaalsContact O-N 3.11Å; K457-H459 VanDerWaalsContact C-N 3.3Å; H459-R461 PolarHBondContact O-N 3.06Å; H459-L462 WeakPolarHBondContact O-CB 3.45Å; H459-L462 WeakPolarHBondContact O-CG 3.19Å; H459-L462 PolarHBondContact O-N 3.48Å; H459-H463 AromaticContact CE1-NE2 3.64Å; H459-H463 AromaticContact NE2-CD2 3.84Å; H459-H463 AromaticContact NE2-NE2 3.35Å; H459-H463 PolarHBondContact NE2-NE2 3.21Å
460	H	88.1	Confident	89.7	Confident	80 Å²	80	74.7 Å²	74.7	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-25.1	177.1	-178.3	68.9	0	0	0	112.9	E445 L456 K457 L462 H463 T464	E445-H460 IonicContact OE1-CE1 3.64Å; E445-H460 PolarHBondContact OE1-CE1 3.28Å; E445-H460 IonicContact OE1-ND1 3.07Å; E445-H460 PolarHBondContact OE1-ND1 3.27Å; L456-H460 PolarHBondContact O-N 2.86Å; K457-H460 PolarHBondContact O-N 2.98Å; H460-L462 PolarHBondContact O-N 3.47Å; H460-H463 WeakPolarHBondContact O-CB 3.29Å; H460-H463 PolarHBondContact O-N 2.88Å; H460-H463 VanDerWaalsContact O-N 3.08Å; H460-T464 WeakPolarHBondContact NE2-CG2 3.47Å; H460-T464 PolarHBondContact O-N 3.1Å; H460-T464 VanDerWaalsContact O-N 3.1Å; H460-T464 PolarHBondContact O-OG1 3.33Å; H460-T464 VanDerWaalsContact O-OG1 3.11Å
461	R	90.1	Very high	89.7	Confident	41 Å²	41	72.9 Å²	72.9	16%	0.155	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-23.1	169.7	-66.6	179.4	179.3	157.4	0.3	113.9	K457 I458 H459 H463 T464 G465 D466 T479	K457-R461 PolarHBondContact O-N 3.12Å; I458-R461 WeakPolarHBondContact O-CB 3.11Å; I458-R461 PolarHBondContact O-N 3.34Å; H459-R461 PolarHBondContact O-N 3.06Å; R461-H463 VanDerWaalsContact C-N 3.31Å; R461-T464 WeakPolarHBondContact CA-OG1 3.47Å; R461-G465 CarbonylContact O-C 3.55Å; R461-G465 WeakPolarHBondContact O-CA 3.39Å; R461-G465 PolarHBondContact O-N 3.2Å; R461-G465 VanDerWaalsContact O-N 3.11Å; R461-D466 WeakPolarHBondContact CB-O 3.43Å; R461-D466 HydrophobicContact CG-CB 4.42Å; R461-D466 PolarHBondContact O-N 3.08Å; R461-T479 HydrophobicContact CB-CG2 4.3Å; R461-T479 WeakPolarHBondContact CD-O 3.41Å; R461-T479 PolarHBondContact NH1-O 3.28Å
462	L	85.8	Confident	89.7	Confident	115 Å²	115	78.5 Å²	78.5	60%	0.602	39%	0.39	S	S	*	.	H	α-helix	trans	-71.7	-30.4	174.4	-59.3	175.8	0	0	0	111.8	H459 H460 T479	H459-L462 WeakPolarHBondContact O-CB 3.45Å; H459-L462 WeakPolarHBondContact O-CG 3.19Å; H459-L462 PolarHBondContact O-N 3.48Å; H460-L462 PolarHBondContact O-N 3.47Å; L462-T479 HydrophobicContact CD2-CG2 4.46Å
463	H	87.5	Confident	89.3	Confident	69 Å²	69	78.5 Å²	78.5	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-79.5	-50.4	178	-73.5	-80.8	0	0	0	112	E445 C446 H459 H460 R461 G465	E445-H463 WeakPolarHBondContact OE2-CB 3.47Å; E445-H463 IonicContact OE2-CG 3.34Å; E445-H463 VanDerWaalsContact OE2-CG 3.28Å; E445-H463 IonicContact OE2-ND1 3.2Å; E445-H463 PolarHBondContact OE2-ND1 3.27Å; C446-H463 PolarHBondContact SG-NE2 2.78Å; H459-H463 AromaticContact CE1-NE2 3.64Å; H459-H463 AromaticContact NE2-CD2 3.84Å; H459-H463 AromaticContact NE2-NE2 3.35Å; H459-H463 PolarHBondContact NE2-NE2 3.21Å; H460-H463 WeakPolarHBondContact O-CB 3.29Å; H460-H463 PolarHBondContact O-N 2.88Å; H460-H463 VanDerWaalsContact O-N 3.08Å; R461-H463 VanDerWaalsContact C-N 3.31Å; H463-G465 PolarHBondContact O-N 3.15Å
464	T	87.9	Confident	89.2	Confident	76 Å²	76	74.3 Å²	74.3	47%	0.466	39%	0.385	S	S	.	.	H	α-helix	trans	-69.7	-14	178.4	52.2	0	0	0	0	113.2	H460 R461 D466	H460-T464 WeakPolarHBondContact NE2-CG2 3.47Å; H460-T464 PolarHBondContact O-N 3.1Å; H460-T464 VanDerWaalsContact O-N 3.1Å; H460-T464 PolarHBondContact O-OG1 3.33Å; H460-T464 VanDerWaalsContact O-OG1 3.11Å; R461-T464 WeakPolarHBondContact CA-OG1 3.47Å; T464-D466 PolarHBondContact O-N 3.28Å; T464-D466 VanDerWaalsContact O-N 3.16Å; T464-D466 WeakPolarHBondContact OG1-CB 3.4Å; T464-D466 PolarHBondContact OG1-N 3.35Å
465	G	85.5	Confident	89.1	Confident	47 Å²	47	73 Å²	73	49%	0.485	38%	0.381	S	S	.	.			trans	68.4	4.2	-171.5	0	0	0	0	0	113.8	R461 H463 K467	R461-G465 CarbonylContact O-C 3.55Å; R461-G465 WeakPolarHBondContact O-CA 3.39Å; R461-G465 PolarHBondContact O-N 3.2Å; R461-G465 VanDerWaalsContact O-N 3.11Å; H463-G465 PolarHBondContact O-N 3.15Å; G465-K467 PolarHBondContact O-N 3.22Å
466	D	88.1	Confident	89	Confident	77 Å²	77	75 Å²	75	41%	0.412	39%	0.389	S	S	.	.			trans	-62.8	120.2	-175.7	178.8	27.2	0	0	0	111.3	R461 T464 P468	R461-D466 WeakPolarHBondContact CB-O 3.43Å; R461-D466 HydrophobicContact CG-CB 4.42Å; R461-D466 PolarHBondContact O-N 3.08Å; T464-D466 PolarHBondContact O-N 3.28Å; T464-D466 VanDerWaalsContact O-N 3.16Å; T464-D466 WeakPolarHBondContact OG1-CB 3.4Å; T464-D466 PolarHBondContact OG1-N 3.35Å; D466-P468 WeakPolarHBondContact OD1-CD 3.39Å; D466-P468 WeakPolarHBondContact OD1-CG 3.47Å; D466-P468 WeakPolarHBondContact OD2-CG 3.47Å
467	K	90.2	Very high	88.9	Confident	116 Å²	116	76 Å²	76	50%	0.504	40%	0.397	S	S	.	.			trans	-126.4	77.7	179.6	-71.3	166	176.8	176	0	109.4	G465 Y469 S477 F478 T479	G465-K467 PolarHBondContact O-N 3.22Å; K467-Y469 PolarHBondContact O-N 2.8Å; K467-Y469 VanDerWaalsContact O-N 3.16Å; K467-S477 WeakPolarHBondContact CD-O 3.3Å; K467-S477 WeakPolarHBondContact O-CB 3.35Å; K467-F478 CarbonylContact C-O 3.57Å; K467-F478 WeakPolarHBondContact CA-O 3.47Å; K467-T479 HydrophobicContact CG-CG2 3.77Å
468	P	89.6	Confident	88.9	Confident	61 Å²	61	72.3 Å²	72.3	40%	0.396	38%	0.382	S	S	.	.			trans	-65.1	-22.7	-172.8	-22.8	33.3	0	0	0	114.2	D466 K470	D466-P468 WeakPolarHBondContact OD1-CD 3.39Å; D466-P468 WeakPolarHBondContact OD1-CG 3.47Å; D466-P468 WeakPolarHBondContact OD2-CG 3.47Å; P468-K470 PolarHBondContact O-N 3.1Å
469	Y	92.6	Very high	88.9	Confident	75 Å²	75	71.1 Å²	71.1	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	89.1	-171.1	-53.8	-73.6	0	0	0	110.1	K467 S477 F478 Y481	K467-Y469 PolarHBondContact O-N 2.8Å; K467-Y469 VanDerWaalsContact O-N 3.16Å; Y469-S477 CarbonylContact O-C 3.53Å; Y469-S477 WeakPolarHBondContact O-CA 3.44Å; Y469-F478 WeakPolarHBondContact CD2-O 3.42Å; Y469-F478 PolarHBondContact N-O 3.13Å; Y469-F478 PolarHBondContact O-N 3.24Å; Y469-Y481 AromaticContact CD1-CD2 3.95Å; Y469-Y481 HydrophobicContact CD1-CD2 3.95Å; Y469-Y481 HydrophobicContact CD1-CG 4.43Å; Y469-Y481 VanDerWaalsContact CD2-N 3.35Å; Y469-Y481 HydrophobicContact CE1-CD2 4.27Å; Y469-Y481 HydrophobicContact CE1-CG 4.47Å
470	K	90	Very high	88.9	Confident	125 Å²	125	73.7 Å²	73.7	54%	0.543	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.3	178.1	-171.6	176.8	178.3	-174.7	0	111.4	P468	P468-K470 PolarHBondContact O-N 3.1Å
471	C	91.5	Very high	89.1	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.034	40%	0.397	C	S	.	.			trans	-78.6	122.9	166.4	-177	0	0	0	0	109.1	E473 G475 K476 F478 L484 H487	C471-E473 VanDerWaalsContact C-N 3.31Å; C471-E473 PolarHBondContact O-N 3.4Å; C471-G475 WeakPolarHBondContact O-CA 3.36Å; C471-G475 PolarHBondContact O-N 3.3Å; C471-K476 WeakPolarHBondContact CB-O 3.41Å; C471-K476 PolarHBondContact N-O 3.27Å; C471-F478 HydrophobicContact CB-CE2 4.46Å; C471-L484 HydrophobicContact CB-CD1 3.6Å; C471-H487 PolarHBondContact SG-NE2 2.86Å; C471-H487 VanDerWaalsContact SG-NE2 3.38Å
472	N	89.2	Confident	89.1	Confident	154 Å²	154	77.4 Å²	77.4	82%	0.824	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-27.7	-178.9	-67.2	-12.1	0	0	0	112.5
473	E	84.2	Confident	89.3	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-34.6	-175.7	-65.9	-179.9	-135.6	0	0	114.4	C471 H488 H491	C471-E473 VanDerWaalsContact C-N 3.31Å; C471-E473 PolarHBondContact O-N 3.4Å; E473-H488 IonicContact OE1-CE1 3.93Å; E473-H488 PolarHBondContact OE1-CE1 3.29Å; E473-H488 IonicContact OE1-ND1 3.72Å; E473-H488 PolarHBondContact OE1-ND1 3.16Å; E473-H491 WeakPolarHBondContact OE2-CB 3.43Å; E473-H491 IonicContact OE2-CD2 3.09Å; E473-H491 IonicContact OE2-CE1 3.08Å; E473-H491 IonicContact OE2-CG 3.69Å; E473-H491 IonicContact OE2-ND1 2.75Å; E473-H491 PolarHBondContact OE2-ND1 3.05Å
474	C	89.1	Confident	89.4	Confident	54 Å²	54	72.7 Å²	72.7	37%	0.365	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	4.7	178.3	68.5	0	0	0	0	114.8	K476 H487 H491	C474-K476 PolarHBondContact O-N 3.31Å; C474-H487 PolarHBondContact SG-CE1 3.07Å; C474-H487 PolarHBondContact SG-NE2 2.74Å; C474-H491 PolarHBondContact SG-NE2 3.2Å; C474-H491 VanDerWaalsContact SG-NE2 3.37Å
475	G	87.9	Confident	89.5	Confident	35 Å²	35	74.8 Å²	74.8	36%	0.361	39%	0.39	S	S	.	.			trans	70.3	-2.9	179.7	0	0	0	0	0	115.6	C471 S477	C471-G475 WeakPolarHBondContact O-CA 3.36Å; C471-G475 PolarHBondContact O-N 3.3Å; G475-S477 PolarHBondContact O-N 3.15Å
476	K	89.7	Confident	89.6	Confident	126 Å²	126	74 Å²	74	55%	0.548	38%	0.376	S	S	.	.			trans	-66.2	129.3	180	-72	178.6	-176.6	168.1	0	111	C471 C474 F478	C471-K476 WeakPolarHBondContact CB-O 3.41Å; C471-K476 PolarHBondContact N-O 3.27Å; C474-K476 PolarHBondContact O-N 3.31Å; K476-F478 HydrophobicContact CB-CE2 3.97Å; K476-F478 HydrophobicContact CB-CZ 4.08Å; K476-F478 WeakPolarHBondContact O-CE2 3.36Å
477	S	90.1	Very high	89.7	Confident	44 Å²	44	71.1 Å²	71.1	31%	0.308	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.4	178.2	-53.6	0	0	0	0	112.8	K467 Y469 G475	K467-S477 WeakPolarHBondContact CD-O 3.3Å; K467-S477 WeakPolarHBondContact O-CB 3.35Å; Y469-S477 CarbonylContact O-C 3.53Å; Y469-S477 WeakPolarHBondContact O-CA 3.44Å; G475-S477 PolarHBondContact O-N 3.15Å
478	F	90.7	Very high	89.5	Confident	43 Å²	43	69.6 Å²	69.6	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150	-176.7	-58.6	-90.4	0	0	0	111.1	K467 Y469 C471 K476 Q480 D483 L484 H487	K467-F478 CarbonylContact C-O 3.57Å; K467-F478 WeakPolarHBondContact CA-O 3.47Å; Y469-F478 WeakPolarHBondContact CD2-O 3.42Å; Y469-F478 PolarHBondContact N-O 3.13Å; Y469-F478 PolarHBondContact O-N 3.24Å; C471-F478 HydrophobicContact CB-CE2 4.46Å; K476-F478 HydrophobicContact CB-CE2 3.97Å; K476-F478 HydrophobicContact CB-CZ 4.08Å; K476-F478 WeakPolarHBondContact O-CE2 3.36Å; F478-Q480 VanDerWaalsContact C-N 3.32Å; F478-D483 HydrophobicContact CB-CB 4.13Å; F478-D483 HydrophobicContact CD1-CB 3.8Å; F478-D483 HydrophobicContact CG-CB 4.2Å; F478-L484 HydrophobicContact CB-CB 4.38Å; F478-L484 HydrophobicContact CD2-CB 3.86Å; F478-L484 HydrophobicContact CD2-CD1 3.76Å; F478-L484 HydrophobicContact CD2-CG 4.43Å; F478-L484 HydrophobicContact CE2-CD1 3.91Å; F478-L484 HydrophobicContact CG-CB 4.29Å; F478-H487 HydrophobicContact CE1-CB 3.95Å; F478-H487 HydrophobicContact CE2-CB 3.79Å; F478-H487 AromaticContact CE2-CD2 3.37Å; F478-H487 WeakPolarHBondContact CE2-CD2 3.29Å; F478-H487 AromaticContact CE2-CG 3.53Å; F478-H487 HydrophobicContact CZ-CB 3.38Å; F478-H487 AromaticContact CZ-CD2 3.52Å; F478-H487 AromaticContact CZ-CG 3.18Å; F478-H487 AromaticContact CZ-ND1 3.65Å
479	T	89.3	Confident	89.5	Confident	23 Å²	23	68.4 Å²	68.4	14%	0.141	34%	0.342	C	S	.	.	S	Bend	trans	-77.4	-19.9	177	57.4	0	0	0	0	112.5	R461 L462 K467	R461-T479 HydrophobicContact CB-CG2 4.3Å; R461-T479 WeakPolarHBondContact CD-O 3.41Å; R461-T479 PolarHBondContact NH1-O 3.28Å; L462-T479 HydrophobicContact CD2-CG2 4.46Å; K467-T479 HydrophobicContact CG-CG2 3.77Å
480	Q	90.8	Very high	89.1	Confident	69 Å²	69	70.5 Å²	70.5	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-132.3	145	179.1	-60.7	-177.7	58.8	0	0	111.6	I458 F478 S482 D483 L484	I458-Q480 HydrophobicContact CG2-CG 3.71Å; F478-Q480 VanDerWaalsContact C-N 3.32Å; Q480-S482 VanDerWaalsContact C-N 3.35Å; Q480-S482 PolarHBondContact O-N 3.47Å; Q480-D483 PolarHBondContact O-N 3.29Å; Q480-L484 PolarHBondContact O-N 3.15Å
481	Y	91.7	Very high	88.9	Confident	139 Å²	139	67.8 Å²	67.8	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-34.7	179.3	179.3	-102	0	0	0	113.1	Y469 D483 L484 K485	Y469-Y481 AromaticContact CD1-CD2 3.95Å; Y469-Y481 HydrophobicContact CD1-CD2 3.95Å; Y469-Y481 HydrophobicContact CD1-CG 4.43Å; Y469-Y481 VanDerWaalsContact CD2-N 3.35Å; Y469-Y481 HydrophobicContact CE1-CD2 4.27Å; Y469-Y481 HydrophobicContact CE1-CG 4.47Å; Y481-D483 VanDerWaalsContact C-N 3.27Å; Y481-D483 PolarHBondContact O-N 3.5Å; Y481-L484 HydrophobicContact CD2-CD2 4.48Å; Y481-L484 WeakPolarHBondContact O-CB 3.42Å; Y481-L484 PolarHBondContact O-N 2.88Å; Y481-K485 HydrophobicContact CE1-CD 4.49Å; Y481-K485 PolarHBondContact O-N 2.77Å
482	S	89.1	Confident	88.7	Confident	61 Å²	61	71.4 Å²	71.4	43%	0.427	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-36.7	175.9	46.9	0	0	0	0	112.2	Q480 K485 V486	Q480-S482 VanDerWaalsContact C-N 3.35Å; Q480-S482 PolarHBondContact O-N 3.47Å; S482-K485 PolarHBondContact O-N 3.48Å; S482-V486 WeakPolarHBondContact O-CG2 3.2Å; S482-V486 PolarHBondContact O-N 3.15Å
483	D	90	Very high	88.5	Confident	60 Å²	60	66.2 Å²	66.2	32%	0.321	35%	0.352	S	S	.	.	H	α-helix	trans	-69.6	-41.5	176.6	-66.8	-41	0	0	0	111.2	F478 Q480 Y481 V486 H487	F478-D483 HydrophobicContact CB-CB 4.13Å; F478-D483 HydrophobicContact CD1-CB 3.8Å; F478-D483 HydrophobicContact CG-CB 4.2Å; Q480-D483 PolarHBondContact O-N 3.29Å; Y481-D483 VanDerWaalsContact C-N 3.27Å; Y481-D483 PolarHBondContact O-N 3.5Å; D483-V486 PolarHBondContact O-N 3.06Å; D483-H487 WeakPolarHBondContact O-CB 3.15Å; D483-H487 PolarHBondContact O-N 2.88Å
484	L	90.6	Very high	88.6	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-46.2	171.1	175.5	64	0	0	0	111.2	C471 F478 Q480 Y481 V486 H487 H488	C471-L484 HydrophobicContact CB-CD1 3.6Å; F478-L484 HydrophobicContact CB-CB 4.38Å; F478-L484 HydrophobicContact CD2-CB 3.86Å; F478-L484 HydrophobicContact CD2-CD1 3.76Å; F478-L484 HydrophobicContact CD2-CG 4.43Å; F478-L484 HydrophobicContact CE2-CD1 3.91Å; F478-L484 HydrophobicContact CG-CB 4.29Å; Q480-L484 PolarHBondContact O-N 3.15Å; Y481-L484 HydrophobicContact CD2-CD2 4.48Å; Y481-L484 WeakPolarHBondContact O-CB 3.42Å; Y481-L484 PolarHBondContact O-N 2.88Å; L484-V486 VanDerWaalsContact C-N 3.35Å; L484-V486 PolarHBondContact O-N 3.46Å; L484-H487 CarbonylContact O-C 3.33Å; L484-H487 WeakPolarHBondContact O-CA 3.41Å; L484-H487 WeakPolarHBondContact O-CB 3.46Å; L484-H487 PolarHBondContact O-N 3.16Å; L484-H487 VanDerWaalsContact O-N 3.1Å; L484-H488 PolarHBondContact O-N 2.98Å
485	K	89.4	Confident	88.6	Confident	120 Å²	120	67.5 Å²	67.5	52%	0.522	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-42.5	-179.9	-173	173.6	-176.4	170.8	0	112.1	Y481 S482 H487	Y481-K485 HydrophobicContact CE1-CD 4.49Å; Y481-K485 PolarHBondContact O-N 2.77Å; S482-K485 PolarHBondContact O-N 3.48Å; K485-H487 VanDerWaalsContact C-N 3.34Å
486	V	88.7	Confident	88.7	Confident	30 Å²	30	68.9 Å²	68.9	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-73	-31.4	175.7	-178.4	0	0	0	0	111.6	S482 D483 L484 R489 K508	S482-V486 WeakPolarHBondContact O-CG2 3.2Å; S482-V486 PolarHBondContact O-N 3.15Å; D483-V486 PolarHBondContact O-N 3.06Å; L484-V486 VanDerWaalsContact C-N 3.35Å; L484-V486 PolarHBondContact O-N 3.46Å; V486-R489 WeakPolarHBondContact O-CB 3.36Å; V486-R489 PolarHBondContact O-N 3Å; V486-K508 HydrophobicContact CG1-CD 4.1Å; V486-K508 HydrophobicContact CG1-CG 3.61Å
487	H	88.4	Confident	88.8	Confident	17 Å²	17	66.7 Å²	66.7	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-41	173.5	166.5	68.6	0	0	0	112	C471 C474 F478 D483 L484 K485 R489 L490 H491	C471-H487 PolarHBondContact SG-NE2 2.86Å; C471-H487 VanDerWaalsContact SG-NE2 3.38Å; C474-H487 PolarHBondContact SG-CE1 3.07Å; C474-H487 PolarHBondContact SG-NE2 2.74Å; F478-H487 HydrophobicContact CE1-CB 3.95Å; F478-H487 HydrophobicContact CE2-CB 3.79Å; F478-H487 AromaticContact CE2-CD2 3.37Å; F478-H487 WeakPolarHBondContact CE2-CD2 3.29Å; F478-H487 AromaticContact CE2-CG 3.53Å; F478-H487 HydrophobicContact CZ-CB 3.38Å; F478-H487 AromaticContact CZ-CD2 3.52Å; F478-H487 AromaticContact CZ-CG 3.18Å; F478-H487 AromaticContact CZ-ND1 3.65Å; D483-H487 WeakPolarHBondContact O-CB 3.15Å; D483-H487 PolarHBondContact O-N 2.88Å; L484-H487 CarbonylContact O-C 3.33Å; L484-H487 WeakPolarHBondContact O-CA 3.41Å; L484-H487 WeakPolarHBondContact O-CB 3.46Å; L484-H487 PolarHBondContact O-N 3.16Å; L484-H487 VanDerWaalsContact O-N 3.1Å; K485-H487 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.09Å; H487-L490 WeakPolarHBondContact O-CB 3.26Å; H487-L490 WeakPolarHBondContact O-CG 3.44Å; H487-L490 PolarHBondContact O-N 3.2Å; H487-H491 AromaticContact CE1-NE2 3.62Å; H487-H491 AromaticContact NE2-CD2 3.74Å; H487-H491 AromaticContact NE2-NE2 3.31Å; H487-H491 PolarHBondContact NE2-NE2 3.27Å
488	H	87.2	Confident	88.7	Confident	83 Å²	83	70.6 Å²	70.6	38%	0.384	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-26.3	176.9	-176	67.4	0	0	0	112.8	E473 L484 L490 H491 T492	E473-H488 IonicContact OE1-CE1 3.93Å; E473-H488 PolarHBondContact OE1-CE1 3.29Å; E473-H488 IonicContact OE1-ND1 3.72Å; E473-H488 PolarHBondContact OE1-ND1 3.16Å; L484-H488 PolarHBondContact O-N 2.98Å; H488-L490 PolarHBondContact O-N 3.25Å; H488-H491 WeakPolarHBondContact O-CB 3.28Å; H488-H491 PolarHBondContact O-N 3.25Å; H488-T492 WeakPolarHBondContact NE2-CG2 3.36Å; H488-T492 PolarHBondContact O-N 3.11Å; H488-T492 VanDerWaalsContact O-N 3.13Å; H488-T492 PolarHBondContact O-OG1 3.14Å
489	R	89	Confident	88.7	Confident	36 Å²	36	68.7 Å²	68.7	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-21	170.3	-67	-179.4	-178	149.3	2.2	114.5	V486 H487 H491 T492 G493 D494 T507	V486-R489 WeakPolarHBondContact O-CB 3.36Å; V486-R489 PolarHBondContact O-N 3Å; H487-R489 PolarHBondContact O-N 3.09Å; R489-H491 VanDerWaalsContact C-N 3.3Å; R489-T492 WeakPolarHBondContact CA-OG1 3.17Å; R489-G493 CarbonylContact O-C 3.53Å; R489-G493 WeakPolarHBondContact O-CA 3.46Å; R489-G493 PolarHBondContact O-N 3.31Å; R489-G493 VanDerWaalsContact O-N 3.13Å; R489-D494 WeakPolarHBondContact CB-O 3.39Å; R489-D494 HydrophobicContact CG-CB 4.38Å; R489-D494 PolarHBondContact O-N 2.92Å; R489-T507 HydrophobicContact CB-CG2 4.13Å; R489-T507 PolarHBondContact NH1-O 3.32Å
490	L	84.8	Confident	88.8	Confident	119 Å²	119	74.8 Å²	74.8	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-73.3	-28.3	173.8	-59.5	175.4	0	0	0	111.8	H487 H488 T507	H487-L490 WeakPolarHBondContact O-CB 3.26Å; H487-L490 WeakPolarHBondContact O-CG 3.44Å; H487-L490 PolarHBondContact O-N 3.2Å; H488-L490 PolarHBondContact O-N 3.25Å; L490-T507 HydrophobicContact CD2-CG2 4.5Å
491	H	85.4	Confident	88.5	Confident	69 Å²	69	75.9 Å²	75.9	32%	0.319	39%	0.388	S	S	.	.	H	α-helix	trans	-80.2	-50	178	-74.3	-71.9	0	0	0	111.7	E473 C474 H487 H488 R489 G493	E473-H491 WeakPolarHBondContact OE2-CB 3.43Å; E473-H491 IonicContact OE2-CD2 3.09Å; E473-H491 IonicContact OE2-CE1 3.08Å; E473-H491 IonicContact OE2-CG 3.69Å; E473-H491 IonicContact OE2-ND1 2.75Å; E473-H491 PolarHBondContact OE2-ND1 3.05Å; C474-H491 PolarHBondContact SG-NE2 3.2Å; C474-H491 VanDerWaalsContact SG-NE2 3.37Å; H487-H491 AromaticContact CE1-NE2 3.62Å; H487-H491 AromaticContact NE2-CD2 3.74Å; H487-H491 AromaticContact NE2-NE2 3.31Å; H487-H491 PolarHBondContact NE2-NE2 3.27Å; H488-H491 WeakPolarHBondContact O-CB 3.28Å; H488-H491 PolarHBondContact O-N 3.25Å; R489-H491 VanDerWaalsContact C-N 3.3Å; H491-G493 PolarHBondContact O-N 3Å
492	T	87.3	Confident	88.3	Confident	80 Å²	80	71.8 Å²	71.8	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-73.5	-12.1	179.1	53.3	0	0	0	0	113.4	H488 R489 D494	H488-T492 WeakPolarHBondContact NE2-CG2 3.36Å; H488-T492 PolarHBondContact O-N 3.11Å; H488-T492 VanDerWaalsContact O-N 3.13Å; H488-T492 PolarHBondContact O-OG1 3.14Å; R489-T492 WeakPolarHBondContact CA-OG1 3.17Å; T492-D494 PolarHBondContact O-N 2.75Å; T492-D494 VanDerWaalsContact O-N 3.14Å; T492-D494 WeakPolarHBondContact OG1-CB 3.38Å; T492-D494 PolarHBondContact OG1-N 3.18Å
493	G	84.7	Confident	88.2	Confident	46 Å²	46	70.6 Å²	70.6	47%	0.474	38%	0.376	S	S	.	.			trans	68.3	2.6	-171.1	0	0	0	0	0	113.9	R489 H491 K495	R489-G493 CarbonylContact O-C 3.53Å; R489-G493 WeakPolarHBondContact O-CA 3.46Å; R489-G493 PolarHBondContact O-N 3.31Å; R489-G493 VanDerWaalsContact O-N 3.13Å; H491-G493 PolarHBondContact O-N 3Å; G493-K495 PolarHBondContact O-N 2.98Å
494	D	87.4	Confident	88.2	Confident	77 Å²	77	73.8 Å²	73.8	41%	0.412	39%	0.387	S	S	.	.			trans	-63	121.5	-175.1	177.3	28.8	0	0	0	111.7	R489 T492 P496	R489-D494 WeakPolarHBondContact CB-O 3.39Å; R489-D494 HydrophobicContact CG-CB 4.38Å; R489-D494 PolarHBondContact O-N 2.92Å; T492-D494 PolarHBondContact O-N 2.75Å; T492-D494 VanDerWaalsContact O-N 3.14Å; T492-D494 WeakPolarHBondContact OG1-CB 3.38Å; T492-D494 PolarHBondContact OG1-N 3.18Å; D494-P496 WeakPolarHBondContact OD1-CD 3.48Å; D494-P496 WeakPolarHBondContact OD1-CG 3.45Å; D494-P496 WeakPolarHBondContact OD2-CG 3.49Å
495	K	89.2	Confident	88.1	Confident	115 Å²	115	74.7 Å²	74.7	50%	0.5	40%	0.396	S	S	.	.			trans	-127.3	78.9	178.7	-68.3	169.8	-174.1	175.4	0	109.1	G493 Y497 S505 F506 T507	G493-K495 PolarHBondContact O-N 2.98Å; K495-Y497 PolarHBondContact O-N 3.1Å; K495-Y497 VanDerWaalsContact O-N 3.14Å; K495-S505 VanDerWaalsContact CB-CB 3.44Å; K495-S505 WeakPolarHBondContact CD-O 3.29Å; K495-S505 WeakPolarHBondContact O-CB 3.08Å; K495-F506 CarbonylContact C-O 3.53Å; K495-F506 WeakPolarHBondContact CA-O 3.24Å; K495-T507 HydrophobicContact CG-CG2 3.86Å
496	P	88.8	Confident	88.1	Confident	64 Å²	64	71 Å²	71	42%	0.416	38%	0.38	S	S	.	.			trans	-65.2	-22.7	-172.7	-22.6	32.7	0	0	0	114.2	D494 K498	D494-P496 WeakPolarHBondContact OD1-CD 3.48Å; D494-P496 WeakPolarHBondContact OD1-CG 3.45Å; D494-P496 WeakPolarHBondContact OD2-CG 3.49Å; P496-K498 PolarHBondContact O-N 2.89Å
497	Y	91.6	Very high	88.1	Confident	80 Å²	80	70.7 Å²	70.7	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	85.2	-172.4	-54.2	-73.3	0	0	0	109.8	K495 S505 F506 S509	K495-Y497 PolarHBondContact O-N 3.1Å; K495-Y497 VanDerWaalsContact O-N 3.14Å; Y497-S505 CarbonylContact O-C 3.52Å; Y497-S505 WeakPolarHBondContact O-CA 2.93Å; Y497-F506 WeakPolarHBondContact CD2-O 3.24Å; Y497-F506 PolarHBondContact N-O 3.22Å; Y497-F506 PolarHBondContact O-N 2.83Å; Y497-S509 VanDerWaalsContact CD2-N 3.26Å; Y497-S509 VanDerWaalsContact CE2-N 3.35Å
498	K	89.2	Confident	88.1	Confident	127 Å²	127	74.1 Å²	74.1	55%	0.552	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.3	177	-171	176.4	178.8	-174.5	0	111.1	P496	P496-K498 PolarHBondContact O-N 2.89Å
499	C	90.9	Very high	88.2	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.02	40%	0.396	C	S	.	.			trans	-80.5	126	165.4	177.7	0	0	0	0	109	D501 G503 K504 F506 L512 H515	C499-D501 PolarHBondContact SG-N 2.78Å; C499-G503 WeakPolarHBondContact O-CA 3.14Å; C499-G503 PolarHBondContact O-N 3.26Å; C499-K504 VanDerWaalsContact CB-O 3.3Å; C499-K504 WeakPolarHBondContact CB-O 2.93Å; C499-K504 PolarHBondContact N-O 3.42Å; C499-F506 HydrophobicContact CB-CE2 4.47Å; C499-L512 HydrophobicContact CB-CD1 3.57Å; C499-H515 PolarHBondContact SG-NE2 2.88Å; C499-H515 VanDerWaalsContact SG-NE2 3.44Å
500	N	89.7	Confident	88.1	Confident	150 Å²	150	74.8 Å²	74.8	80%	0.802	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-31.6	179.2	-65.6	-13	0	0	0	111.8
501	D	84.3	Confident	88.3	Confident	92 Å²	92	72.6 Å²	72.6	49%	0.492	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-31	-175.1	-48	-36.3	0	0	0	113.9	C499 H516 H519	C499-D501 PolarHBondContact SG-N 2.78Å; D501-H516 IonicContact OD2-CE1 3.95Å; D501-H516 PolarHBondContact OD2-CE1 3.14Å; D501-H516 IonicContact OD2-ND1 3.37Å; D501-H516 PolarHBondContact OD2-ND1 3.48Å; D501-H519 HydrophobicContact CB-CB 4.4Å; D501-H519 IonicContact OD2-CD2 2.98Å; D501-H519 PolarHBondContact OD2-CD2 2.88Å; D501-H519 IonicContact OD2-CG 3.13Å
502	C	89.1	Confident	88.5	Confident	54 Å²	54	71 Å²	71	37%	0.365	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	6.6	179.5	70.1	0	0	0	0	115.3	K504 H515 H519	C502-K504 PolarHBondContact O-N 3.18Å; C502-K504 VanDerWaalsContact SG-CG 3.6Å; C502-H515 PolarHBondContact SG-CE1 3.27Å; C502-H515 PolarHBondContact SG-NE2 3.12Å; C502-H519 PolarHBondContact SG-NE2 3.1Å
503	G	87.2	Confident	88.5	Confident	36 Å²	36	74.2 Å²	74.2	37%	0.371	40%	0.402	S	S	.	.			trans	70.1	-3.9	179.9	0	0	0	0	0	115.6	C499 S505	C499-G503 WeakPolarHBondContact O-CA 3.14Å; C499-G503 PolarHBondContact O-N 3.26Å; G503-S505 PolarHBondContact O-N 3.11Å
504	K	88.7	Confident	88.6	Confident	127 Å²	127	73.7 Å²	73.7	55%	0.552	39%	0.39	S	S	*	.			trans	-65.9	128.6	179.9	-72.7	179.1	-175.6	170.2	0	110.8	C499 C502 F506	C499-K504 VanDerWaalsContact CB-O 3.3Å; C499-K504 WeakPolarHBondContact CB-O 2.93Å; C499-K504 PolarHBondContact N-O 3.42Å; C502-K504 PolarHBondContact O-N 3.18Å; C502-K504 VanDerWaalsContact SG-CG 3.6Å; K504-F506 HydrophobicContact CB-CE2 3.97Å; K504-F506 HydrophobicContact CB-CZ 4.03Å; K504-F506 WeakPolarHBondContact O-CE2 3.44Å
505	S	89.1	Confident	88.5	Confident	44 Å²	44	70.8 Å²	70.8	31%	0.308	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.6	178.8	-56.6	0	0	0	0	112.6	K495 Y497 G503	K495-S505 VanDerWaalsContact CB-CB 3.44Å; K495-S505 WeakPolarHBondContact CD-O 3.29Å; K495-S505 WeakPolarHBondContact O-CB 3.08Å; Y497-S505 CarbonylContact O-C 3.52Å; Y497-S505 WeakPolarHBondContact O-CA 2.93Å; G503-S505 PolarHBondContact O-N 3.11Å
506	F	89.5	Confident	88.4	Confident	41 Å²	41	69.5 Å²	69.5	18%	0.18	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.8	-176.8	-58.4	-89.2	0	0	0	111.7	K495 Y497 C499 K504 K508 N511 L512 H515	K495-F506 CarbonylContact C-O 3.53Å; K495-F506 WeakPolarHBondContact CA-O 3.24Å; Y497-F506 WeakPolarHBondContact CD2-O 3.24Å; Y497-F506 PolarHBondContact N-O 3.22Å; Y497-F506 PolarHBondContact O-N 2.83Å; C499-F506 HydrophobicContact CB-CE2 4.47Å; K504-F506 HydrophobicContact CB-CE2 3.97Å; K504-F506 HydrophobicContact CB-CZ 4.03Å; K504-F506 WeakPolarHBondContact O-CE2 3.44Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-N511 HydrophobicContact CB-CB 4.11Å; F506-N511 HydrophobicContact CD1-CB 3.84Å; F506-N511 HydrophobicContact CG-CB 4.18Å; F506-L512 HydrophobicContact CB-CB 4.42Å; F506-L512 HydrophobicContact CD2-CB 3.85Å; F506-L512 HydrophobicContact CD2-CD1 3.8Å; F506-L512 HydrophobicContact CD2-CG 4.44Å; F506-L512 HydrophobicContact CE2-CD1 3.93Å; F506-L512 HydrophobicContact CG-CB 4.33Å; F506-H515 HydrophobicContact CE1-CB 3.99Å; F506-H515 HydrophobicContact CE2-CB 3.78Å; F506-H515 AromaticContact CE2-CD2 3.29Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.43Å; F506-H515 AromaticContact CE2-CG 3.49Å; F506-H515 VanDerWaalsContact CE2-CG 3.49Å; F506-H515 AromaticContact CE2-NE2 3.93Å; F506-H515 HydrophobicContact CZ-CB 3.41Å; F506-H515 VanDerWaalsContact CZ-CB 3.41Å; F506-H515 AromaticContact CZ-CD2 3.46Å; F506-H515 VanDerWaalsContact CZ-CD2 3.46Å; F506-H515 WeakPolarHBondContact CZ-CD2 3.36Å; F506-H515 AromaticContact CZ-CG 3.16Å; F506-H515 AromaticContact CZ-ND1 3.62Å; F506-H515 AromaticContact CZ-NE2 3.97Å
507	T	87.8	Confident	88.3	Confident	25 Å²	25	69.3 Å²	69.3	15%	0.153	36%	0.36	C	S	.	.	S	Bend	trans	-78.2	-16.9	175.7	57.3	0	0	0	0	113.3	R489 L490 K495	R489-T507 HydrophobicContact CB-CG2 4.13Å; R489-T507 PolarHBondContact NH1-O 3.32Å; L490-T507 HydrophobicContact CD2-CG2 4.5Å; K495-T507 HydrophobicContact CG-CG2 3.86Å
508	K	88.4	Confident	87.9	Confident	88 Å²	88	71.1 Å²	71.1	38%	0.383	37%	0.374	S	S	.	.	S	Bend	trans	-131.2	135.6	179.4	-68	-176.1	178.8	-175.6	0	110.5	V486 F506 S510 N511 L512	V486-K508 HydrophobicContact CG1-CD 4.1Å; V486-K508 HydrophobicContact CG1-CG 3.61Å; F506-K508 VanDerWaalsContact C-N 3.34Å; K508-S510 VanDerWaalsContact C-N 3.27Å; K508-S510 PolarHBondContact O-N 3.34Å; K508-N511 HydrophobicContact CB-CB 4.43Å; K508-N511 WeakPolarHBondContact O-CB 3.45Å; K508-N511 PolarHBondContact O-N 3.13Å; K508-L512 PolarHBondContact O-N 3.45Å
509	S	90.4	Very high	87.7	Confident	65 Å²	65	68.8 Å²	68.8	46%	0.455	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-36.4	175	173.5	0	0	0	0	112.6	Y497 N511 L512 K513	Y497-S509 VanDerWaalsContact CD2-N 3.26Å; Y497-S509 VanDerWaalsContact CE2-N 3.35Å; S509-N511 VanDerWaalsContact C-N 3.26Å; S509-N511 PolarHBondContact O-N 2.89Å; S509-L512 WeakPolarHBondContact O-CB 3.42Å; S509-L512 PolarHBondContact O-N 3.32Å; S509-L512 VanDerWaalsContact O-N 3.14Å; S509-K513 PolarHBondContact O-N 3.38Å
510	S	86.9	Confident	87.4	Confident	69 Å²	69	72.5 Å²	72.5	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-32.7	176	55.1	0	0	0	0	113.1	K508 V514	K508-S510 VanDerWaalsContact C-N 3.27Å; K508-S510 PolarHBondContact O-N 3.34Å; S510-V514 WeakPolarHBondContact O-CG2 3.35Å; S510-V514 PolarHBondContact O-N 2.92Å; S510-V514 VanDerWaalsContact O-N 3.09Å
511	N	88.7	Confident	87	Confident	72 Å²	72	67.6 Å²	67.6	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-71.3	-39.9	174.9	-70.4	-12.5	0	0	0	111	F506 K508 S509 V514 H515	F506-N511 HydrophobicContact CB-CB 4.11Å; F506-N511 HydrophobicContact CD1-CB 3.84Å; F506-N511 HydrophobicContact CG-CB 4.18Å; K508-N511 HydrophobicContact CB-CB 4.43Å; K508-N511 WeakPolarHBondContact O-CB 3.45Å; K508-N511 PolarHBondContact O-N 3.13Å; S509-N511 VanDerWaalsContact C-N 3.26Å; S509-N511 PolarHBondContact O-N 2.89Å; N511-V514 PolarHBondContact O-N 3.27Å; N511-H515 WeakPolarHBondContact O-CB 3.33Å; N511-H515 PolarHBondContact O-N 3.44Å
512	L	89.1	Confident	86.9	Confident	36 Å²	36	66.8 Å²	66.8	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-60.9	-46	172.1	175.1	62.7	0	0	0	111	C499 F506 K508 S509 V514 H515 H516	C499-L512 HydrophobicContact CB-CD1 3.57Å; F506-L512 HydrophobicContact CB-CB 4.42Å; F506-L512 HydrophobicContact CD2-CB 3.85Å; F506-L512 HydrophobicContact CD2-CD1 3.8Å; F506-L512 HydrophobicContact CD2-CG 4.44Å; F506-L512 HydrophobicContact CE2-CD1 3.93Å; F506-L512 HydrophobicContact CG-CB 4.33Å; K508-L512 PolarHBondContact O-N 3.45Å; S509-L512 WeakPolarHBondContact O-CB 3.42Å; S509-L512 PolarHBondContact O-N 3.32Å; S509-L512 VanDerWaalsContact O-N 3.14Å; L512-V514 VanDerWaalsContact C-N 3.34Å; L512-V514 PolarHBondContact O-N 2.81Å; L512-H515 CarbonylContact O-C 3.57Å; L512-H515 WeakPolarHBondContact O-CA 3.36Å; L512-H515 WeakPolarHBondContact O-CB 3.33Å; L512-H515 PolarHBondContact O-N 2.96Å; L512-H516 PolarHBondContact O-N 3.49Å
513	K	88	Confident	86.8	Confident	148 Å²	148	69.7 Å²	69.7	64%	0.643	38%	0.375	S	S	*	.	H	α-helix	trans	-58.7	-43.4	178.5	-174.5	171.9	-175.7	170.4	0	112.4	S509 H515	S509-K513 PolarHBondContact O-N 3.38Å; K513-H515 VanDerWaalsContact C-N 3.33Å
514	V	86.1	Confident	86.6	Confident	35 Å²	35	71.3 Å²	71.3	21%	0.212	38%	0.379	C	S	.	.	H	α-helix	trans	-73.8	-29.1	176.5	-179.2	0	0	0	0	111.8	S510 N511 L512 R517 K536	S510-V514 WeakPolarHBondContact O-CG2 3.35Å; S510-V514 PolarHBondContact O-N 2.92Å; S510-V514 VanDerWaalsContact O-N 3.09Å; N511-V514 PolarHBondContact O-N 3.27Å; L512-V514 VanDerWaalsContact C-N 3.34Å; L512-V514 PolarHBondContact O-N 2.81Å; V514-R517 WeakPolarHBondContact O-CB 3.4Å; V514-K536 HydrophobicContact CG1-CD 4.18Å; V514-K536 HydrophobicContact CG1-CG 3.8Å
515	H	86.7	Confident	86.5	Confident	16 Å²	16	66.4 Å²	66.4	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-68.5	-40.1	173.9	166.8	68	0	0	0	112.3	C499 C502 F506 N511 L512 K513 R517 I518 H519	C499-H515 PolarHBondContact SG-NE2 2.88Å; C499-H515 VanDerWaalsContact SG-NE2 3.44Å; C502-H515 PolarHBondContact SG-CE1 3.27Å; C502-H515 PolarHBondContact SG-NE2 3.12Å; F506-H515 HydrophobicContact CE1-CB 3.99Å; F506-H515 HydrophobicContact CE2-CB 3.78Å; F506-H515 AromaticContact CE2-CD2 3.29Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.43Å; F506-H515 AromaticContact CE2-CG 3.49Å; F506-H515 VanDerWaalsContact CE2-CG 3.49Å; F506-H515 AromaticContact CE2-NE2 3.93Å; F506-H515 HydrophobicContact CZ-CB 3.41Å; F506-H515 VanDerWaalsContact CZ-CB 3.41Å; F506-H515 AromaticContact CZ-CD2 3.46Å; F506-H515 VanDerWaalsContact CZ-CD2 3.46Å; F506-H515 WeakPolarHBondContact CZ-CD2 3.36Å; F506-H515 AromaticContact CZ-CG 3.16Å; F506-H515 AromaticContact CZ-ND1 3.62Å; F506-H515 AromaticContact CZ-NE2 3.97Å; N511-H515 WeakPolarHBondContact O-CB 3.33Å; N511-H515 PolarHBondContact O-N 3.44Å; L512-H515 CarbonylContact O-C 3.57Å; L512-H515 WeakPolarHBondContact O-CA 3.36Å; L512-H515 WeakPolarHBondContact O-CB 3.33Å; L512-H515 PolarHBondContact O-N 2.96Å; K513-H515 VanDerWaalsContact C-N 3.33Å; H515-R517 PolarHBondContact O-N 3.14Å; H515-R517 VanDerWaalsContact O-N 3.1Å; H515-I518 VanDerWaalsContact O-CB 3.24Å; H515-I518 WeakPolarHBondContact O-CB 3.38Å; H515-I518 WeakPolarHBondContact O-CG1 3.48Å; H515-I518 PolarHBondContact O-N 3.41Å; H515-H519 AromaticContact CE1-NE2 3.66Å; H515-H519 AromaticContact NE2-CD2 3.97Å; H515-H519 AromaticContact NE2-NE2 3.39Å; H515-H519 PolarHBondContact NE2-NE2 3.29Å
516	H	85.7	Confident	86.3	Confident	88 Å²	88	70.4 Å²	70.4	41%	0.407	37%	0.372	S	S	.	.	H	α-helix	trans	-59.3	-25.5	179.4	-170.6	37.2	0	0	0	112.6	D501 L512 I518 H519 T520	D501-H516 IonicContact OD2-CE1 3.95Å; D501-H516 PolarHBondContact OD2-CE1 3.14Å; D501-H516 IonicContact OD2-ND1 3.37Å; D501-H516 PolarHBondContact OD2-ND1 3.48Å; L512-H516 PolarHBondContact O-N 3.49Å; H516-I518 PolarHBondContact O-N 3.28Å; H516-I518 VanDerWaalsContact O-N 3.13Å; H516-H519 WeakPolarHBondContact O-CB 3.47Å; H516-H519 PolarHBondContact O-N 3.15Å; H516-T520 PolarHBondContact O-N 3.46Å
517	R	86.8	Confident	86.2	Confident	59 Å²	59	68.4 Å²	68.4	22%	0.223	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-20.2	170.2	-66.5	-177.8	173.8	159.2	1.8	114.8	V514 H515 H519 T520 G521 D522 T535	V514-R517 WeakPolarHBondContact O-CB 3.4Å; H515-R517 PolarHBondContact O-N 3.14Å; H515-R517 VanDerWaalsContact O-N 3.1Å; R517-H519 VanDerWaalsContact C-N 3.35Å; R517-T520 WeakPolarHBondContact CA-OG1 3.34Å; R517-G521 CarbonylContact O-C 3.53Å; R517-G521 WeakPolarHBondContact O-CA 3.31Å; R517-G521 PolarHBondContact O-N 2.84Å; R517-G521 VanDerWaalsContact O-N 3.1Å; R517-D522 WeakPolarHBondContact CB-O 3.36Å; R517-D522 HydrophobicContact CG-CB 4.36Å; R517-D522 IonicContact NE-OD2 2.92Å; R517-D522 PolarHBondContact O-N 3.17Å; R517-T535 HydrophobicContact CB-CG2 4.04Å; R517-T535 PolarHBondContact NH1-O 3.36Å
518	I	83.6	Confident	86.2	Confident	119 Å²	119	74.4 Å²	74.4	61%	0.61	39%	0.394	S	S	*	.	H	α-helix	trans	-72.9	-33.9	174.1	-60.2	172.2	0	0	0	110.1	H515 H516	H515-I518 VanDerWaalsContact O-CB 3.24Å; H515-I518 WeakPolarHBondContact O-CB 3.38Å; H515-I518 WeakPolarHBondContact O-CG1 3.48Å; H515-I518 PolarHBondContact O-N 3.41Å; H516-I518 PolarHBondContact O-N 3.28Å; H516-I518 VanDerWaalsContact O-N 3.13Å
519	H	84.5	Confident	85.9	Confident	77 Å²	77	75.2 Å²	75.2	36%	0.356	40%	0.403	S	S	.	.	H	α-helix	trans	-79	-45.2	177.2	-64	-62.3	0	0	0	111.7	D501 C502 H515 H516 R517 G521	D501-H519 HydrophobicContact CB-CB 4.4Å; D501-H519 IonicContact OD2-CD2 2.98Å; D501-H519 PolarHBondContact OD2-CD2 2.88Å; D501-H519 IonicContact OD2-CG 3.13Å; C502-H519 PolarHBondContact SG-NE2 3.1Å; H515-H519 AromaticContact CE1-NE2 3.66Å; H515-H519 AromaticContact NE2-CD2 3.97Å; H515-H519 AromaticContact NE2-NE2 3.39Å; H515-H519 PolarHBondContact NE2-NE2 3.29Å; H516-H519 WeakPolarHBondContact O-CB 3.47Å; H516-H519 PolarHBondContact O-N 3.15Å; R517-H519 VanDerWaalsContact C-N 3.35Å; H519-G521 PolarHBondContact O-N 3.45Å
520	T	84.9	Confident	85.6	Confident	81 Å²	81	74.8 Å²	74.8	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-76.4	-11.8	180	63.8	0	0	0	0	113.4	H516 R517 D522	H516-T520 PolarHBondContact O-N 3.46Å; R517-T520 WeakPolarHBondContact CA-OG1 3.34Å; T520-D522 PolarHBondContact O-N 3.35Å; T520-D522 VanDerWaalsContact O-N 3.1Å; T520-D522 WeakPolarHBondContact OG1-CB 3.48Å; T520-D522 PolarHBondContact OG1-N 3.42Å
521	G	80.9	Confident	85.5	Confident	48 Å²	48	73.1 Å²	73.1	50%	0.495	39%	0.393	S	S	.	.			trans	67.2	2.1	-170.4	0	0	0	0	0	114.2	R517 H519 K523	R517-G521 CarbonylContact O-C 3.53Å; R517-G521 WeakPolarHBondContact O-CA 3.31Å; R517-G521 PolarHBondContact O-N 2.84Å; R517-G521 VanDerWaalsContact O-N 3.1Å; H519-G521 PolarHBondContact O-N 3.45Å; G521-K523 PolarHBondContact O-N 3.11Å
522	D	83.6	Confident	85.3	Confident	74 Å²	74	75.4 Å²	75.4	40%	0.396	40%	0.4	S	S	.	.			trans	-63.9	114.5	-174.5	176.7	29.4	0	0	0	111.4	R517 T520 P524	R517-D522 WeakPolarHBondContact CB-O 3.36Å; R517-D522 HydrophobicContact CG-CB 4.36Å; R517-D522 IonicContact NE-OD2 2.92Å; R517-D522 PolarHBondContact O-N 3.17Å; T520-D522 PolarHBondContact O-N 3.35Å; T520-D522 VanDerWaalsContact O-N 3.1Å; T520-D522 WeakPolarHBondContact OG1-CB 3.48Å; T520-D522 PolarHBondContact OG1-N 3.42Å; D522-P524 WeakPolarHBondContact OD1-CD 3.44Å; D522-P524 WeakPolarHBondContact OD1-CG 3.43Å
523	K	85.6	Confident	85.1	Confident	115 Å²	115	75.7 Å²	75.7	50%	0.5	41%	0.405	S	S	.	.			trans	-124.6	81.1	178.1	-67.8	164	176.1	179.6	0	109	G521 C525 S533 Y534 T535	G521-K523 PolarHBondContact O-N 3.11Å; K523-C525 PolarHBondContact O-N 3.22Å; K523-C525 VanDerWaalsContact O-N 3.15Å; K523-S533 VanDerWaalsContact CB-CB 3.42Å; K523-S533 WeakPolarHBondContact CD-O 3.15Å; K523-S533 WeakPolarHBondContact O-CB 3.43Å; K523-Y534 CarbonylContact C-O 3.57Å; K523-Y534 WeakPolarHBondContact CA-O 3.48Å; K523-T535 HydrophobicContact CG-CG2 3.86Å
524	P	84.4	Confident	84.9	Confident	71 Å²	71	71.2 Å²	71.2	46%	0.461	38%	0.384	S	S	.	.			trans	-65.4	-22.3	-173.3	-21.1	31.3	0	0	0	114	D522 K526	D522-P524 WeakPolarHBondContact OD1-CD 3.44Å; D522-P524 WeakPolarHBondContact OD1-CG 3.43Å; P524-K526 PolarHBondContact O-N 3.3Å
525	C	86	Confident	84.8	Confident	23 Å²	23	71.5 Å²	71.5	16%	0.155	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	82.6	-172.6	-55.6	0	0	0	0	109.9	K523 S533 Y534 L537 L540	K523-C525 PolarHBondContact O-N 3.22Å; K523-C525 VanDerWaalsContact O-N 3.15Å; C525-S533 CarbonylContact O-C 3.58Å; C525-S533 WeakPolarHBondContact O-CA 3.26Å; C525-Y534 WeakPolarHBondContact CB-O 3.42Å; C525-Y534 PolarHBondContact N-O 3.49Å; C525-Y534 PolarHBondContact O-N 3.29Å; C525-L537 PolarHBondContact SG-N 2.8Å; C525-L540 HydrophobicContact CB-CB 3.95Å; C525-L540 HydrophobicContact CB-CD2 3.83Å; C525-L540 HydrophobicContact CB-CG 4.49Å
526	K	85.8	Confident	84.7	Confident	128 Å²	128	75.4 Å²	75.4	56%	0.557	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	135.1	175.9	-170	175.3	179.8	-175.4	0	111.4	P524 L540	P524-K526 PolarHBondContact O-N 3.3Å; K526-L540 WeakPolarHBondContact O-CD2 3.39Å
527	C	87.5	Confident	84.7	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.407	C	S	.	.			trans	-80.8	126	165.7	178.2	0	0	0	0	109.1	D529 G531 K532 L540 H543	C527-D529 VanDerWaalsContact C-N 3.34Å; C527-D529 PolarHBondContact SG-N 3.45Å; C527-G531 WeakPolarHBondContact O-CA 3.46Å; C527-G531 PolarHBondContact O-N 3.41Å; C527-K532 VanDerWaalsContact CB-O 3.31Å; C527-K532 WeakPolarHBondContact CB-O 3.35Å; C527-K532 PolarHBondContact N-O 3.14Å; C527-L540 HydrophobicContact CB-CD1 3.56Å; C527-H543 PolarHBondContact SG-NE2 3.15Å; C527-H543 VanDerWaalsContact SG-NE2 3.43Å
528	N	87.5	Confident	84.6	Confident	150 Å²	150	76.5 Å²	76.5	80%	0.802	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-32.3	178.7	-66.5	-8.9	0	0	0	111.9
529	D	80.6	Confident	84.7	Confident	106 Å²	106	73.1 Å²	73.1	57%	0.567	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-28.9	-173.6	-47.5	-44.6	0	0	0	114	C527 H547	C527-D529 VanDerWaalsContact C-N 3.34Å; C527-D529 PolarHBondContact SG-N 3.45Å; D529-H547 HydrophobicContact CB-CB 4.42Å; D529-H547 IonicContact OD2-CD2 3.92Å; D529-H547 IonicContact OD2-CG 3.02Å
530	C	85.9	Confident	84.8	Confident	55 Å²	55	70.1 Å²	70.1	37%	0.372	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	6.4	178.6	69.9	0	0	0	0	115.3	K532 H543 H547	C530-K532 PolarHBondContact O-N 3Å; C530-K532 VanDerWaalsContact SG-CG 3.6Å; C530-H543 PolarHBondContact SG-CE1 2.76Å; C530-H543 PolarHBondContact SG-NE2 2.93Å; C530-H547 PolarHBondContact SG-NE2 2.94Å
531	G	83.6	Confident	84.8	Confident	35 Å²	35	72.1 Å²	72.1	36%	0.361	40%	0.397	S	S	.	.			trans	69.9	-4.3	179.5	0	0	0	0	0	115.7	C527 S533	C527-G531 WeakPolarHBondContact O-CA 3.46Å; C527-G531 PolarHBondContact O-N 3.41Å; G531-S533 PolarHBondContact O-N 2.86Å
532	K	84.7	Confident	85	Confident	120 Å²	120	71.9 Å²	71.9	52%	0.522	39%	0.386	S	S	.	.			trans	-65.1	126.6	179	-71.1	178.6	-176.6	171.3	0	110.9	C527 C530 Y534	C527-K532 VanDerWaalsContact CB-O 3.31Å; C527-K532 WeakPolarHBondContact CB-O 3.35Å; C527-K532 PolarHBondContact N-O 3.14Å; C530-K532 PolarHBondContact O-N 3Å; C530-K532 VanDerWaalsContact SG-CG 3.6Å; K532-Y534 HydrophobicContact CB-CE2 3.92Å; K532-Y534 WeakPolarHBondContact O-CE2 3.49Å
533	S	85.1	Confident	85	Confident	42 Å²	42	68.8 Å²	68.8	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.3	178.5	-57.2	0	0	0	0	112.6	K523 C525 G531	K523-S533 VanDerWaalsContact CB-CB 3.42Å; K523-S533 WeakPolarHBondContact CD-O 3.15Å; K523-S533 WeakPolarHBondContact O-CB 3.43Å; C525-S533 CarbonylContact O-C 3.58Å; C525-S533 WeakPolarHBondContact O-CA 3.26Å; G531-S533 PolarHBondContact O-N 2.86Å
534	Y	84.5	Confident	84.9	Confident	54 Å²	54	66.8 Å²	66.8	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.5	-178.2	-62.1	-90.5	0	0	0	111.7	K523 C525 K532 K536 L540 H543	K523-Y534 CarbonylContact C-O 3.57Å; K523-Y534 WeakPolarHBondContact CA-O 3.48Å; C525-Y534 WeakPolarHBondContact CB-O 3.42Å; C525-Y534 PolarHBondContact N-O 3.49Å; C525-Y534 PolarHBondContact O-N 3.29Å; K532-Y534 HydrophobicContact CB-CE2 3.92Å; K532-Y534 WeakPolarHBondContact O-CE2 3.49Å; Y534-K536 VanDerWaalsContact C-N 3.3Å; Y534-K536 PolarHBondContact O-N 3.38Å; Y534-L540 HydrophobicContact CD2-CB 4Å; Y534-L540 HydrophobicContact CD2-CD1 3.88Å; Y534-L540 HydrophobicContact CE2-CD1 4.15Å; Y534-L540 HydrophobicContact CG-CB 4.39Å; Y534-H543 HydrophobicContact CE1-CB 4.11Å; Y534-H543 HydrophobicContact CE2-CB 3.75Å; Y534-H543 AromaticContact CE2-CD2 3.25Å; Y534-H543 WeakPolarHBondContact CE2-CD2 3.34Å; Y534-H543 AromaticContact CE2-CG 3.5Å; Y534-H543 VanDerWaalsContact CE2-CG 3.5Å; Y534-H543 AromaticContact CE2-NE2 3.88Å; Y534-H543 VanDerWaalsContact CZ-CB 3.49Å; Y534-H543 AromaticContact CZ-CD2 3.6Å; Y534-H543 AromaticContact CZ-CG 3.34Å; Y534-H543 AromaticContact CZ-ND1 3.84Å; Y534-H543 WeakPolarHBondContact OH-CB 3.47Å; Y534-H543 PolarHBondContact OH-CD2 3.38Å; Y534-H543 VanDerWaalsContact OH-CD2 3.32Å; Y534-H543 PolarHBondContact OH-CE1 3.21Å; Y534-H543 VanDerWaalsContact OH-CE1 3.31Å; Y534-H543 PolarHBondContact OH-ND1 3.29Å; Y534-H543 PolarHBondContact OH-NE2 3.48Å
535	T	83.6	Confident	84.9	Confident	40 Å²	40	65.6 Å²	65.6	25%	0.245	35%	0.347	C	S	.	.	S	Bend	trans	-77	-14.7	176.6	57.1	0	0	0	0	113.2	R517 K523	R517-T535 HydrophobicContact CB-CG2 4.04Å; R517-T535 PolarHBondContact NH1-O 3.36Å; K523-T535 HydrophobicContact CG-CG2 3.86Å
536	K	84	Confident	84.7	Confident	98 Å²	98	69.3 Å²	69.3	43%	0.426	37%	0.365	S	S	.	.	S	Bend	trans	-135.4	140.1	179.5	-65.9	179.1	-178.8	175.4	0	110.5	V514 Y534 S538 S539 L540	V514-K536 HydrophobicContact CG1-CD 4.18Å; V514-K536 HydrophobicContact CG1-CG 3.8Å; Y534-K536 VanDerWaalsContact C-N 3.3Å; Y534-K536 PolarHBondContact O-N 3.38Å; K536-S538 VanDerWaalsContact C-N 3.29Å; K536-S538 PolarHBondContact O-N 2.79Å; K536-S539 WeakPolarHBondContact O-CB 3.43Å; K536-S539 PolarHBondContact O-N 3.17Å; K536-S539 VanDerWaalsContact O-N 3.11Å; K536-L540 PolarHBondContact O-N 3.45Å
537	L	85.9	Confident	84.5	Confident	95 Å²	95	67.1 Å²	67.1	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-35.7	176.3	179.6	59.5	0	0	0	112.7	C525 S539 L540 K541	C525-L537 PolarHBondContact SG-N 2.8Å; L537-S539 VanDerWaalsContact C-N 3.26Å; L537-S539 PolarHBondContact O-N 2.8Å; L537-L540 HydrophobicContact CD1-CD2 4.23Å; L537-L540 PolarHBondContact O-N 2.78Å; L537-K541 HydrophobicContact CD1-CG 4.46Å; L537-K541 WeakPolarHBondContact O-CG 3.12Å; L537-K541 PolarHBondContact O-N 3.44Å
538	S	83.6	Confident	84.3	Confident	76 Å²	76	71.9 Å²	71.9	53%	0.531	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-34.6	176.1	52.6	0	0	0	0	112.5	K536 V542	K536-S538 VanDerWaalsContact C-N 3.29Å; K536-S538 PolarHBondContact O-N 2.79Å; S538-V542 WeakPolarHBondContact O-CB 3.38Å; S538-V542 VanDerWaalsContact O-CG2 3.3Å; S538-V542 WeakPolarHBondContact O-CG2 3.4Å; S538-V542 PolarHBondContact O-N 2.74Å; S538-V542 VanDerWaalsContact O-N 3.1Å
539	S	86.2	Confident	83.9	Confident	48 Å²	48	66.8 Å²	66.8	34%	0.336	37%	0.369	S	S	.	.	H	α-helix	trans	-68.2	-40.9	174.3	-58.8	0	0	0	0	111.4	K536 L537 H543	K536-S539 WeakPolarHBondContact O-CB 3.43Å; K536-S539 PolarHBondContact O-N 3.17Å; K536-S539 VanDerWaalsContact O-N 3.11Å; L537-S539 VanDerWaalsContact C-N 3.26Å; L537-S539 PolarHBondContact O-N 2.8Å; S539-H543 VanDerWaalsContact O-CB 3.28Å; S539-H543 WeakPolarHBondContact O-CB 3.41Å; S539-H543 PolarHBondContact O-N 2.86Å
540	L	86.6	Confident	84	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.068	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-48.8	173	174.8	62.5	0	0	0	111.6	C525 K526 C527 Y534 K536 L537 V542 H543 Q544	C525-L540 HydrophobicContact CB-CB 3.95Å; C525-L540 HydrophobicContact CB-CD2 3.83Å; C525-L540 HydrophobicContact CB-CG 4.49Å; K526-L540 WeakPolarHBondContact O-CD2 3.39Å; C527-L540 HydrophobicContact CB-CD1 3.56Å; Y534-L540 HydrophobicContact CD2-CB 4Å; Y534-L540 HydrophobicContact CD2-CD1 3.88Å; Y534-L540 HydrophobicContact CE2-CD1 4.15Å; Y534-L540 HydrophobicContact CG-CB 4.39Å; K536-L540 PolarHBondContact O-N 3.45Å; L537-L540 HydrophobicContact CD1-CD2 4.23Å; L537-L540 PolarHBondContact O-N 2.78Å; L540-V542 VanDerWaalsContact C-N 3.31Å; L540-V542 PolarHBondContact O-N 3.02Å; L540-H543 CarbonylContact O-C 3.59Å; L540-H543 WeakPolarHBondContact O-CA 3.37Å; L540-H543 WeakPolarHBondContact O-CB 3.4Å; L540-H543 PolarHBondContact O-N 3.46Å; L540-Q544 HydrophobicContact CD1-CG 4.08Å; L540-Q544 HydrophobicContact CG-CG 4.35Å; L540-Q544 WeakPolarHBondContact O-CG 3.38Å; L540-Q544 PolarHBondContact O-N 2.87Å
541	K	85.6	Confident	84	Confident	123 Å²	123	67.7 Å²	67.7	54%	0.535	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-43.5	178.9	-74.7	-172.8	175.8	-168.7	0	112.6	L537 H543 Q544	L537-K541 HydrophobicContact CD1-CG 4.46Å; L537-K541 WeakPolarHBondContact O-CG 3.12Å; L537-K541 PolarHBondContact O-N 3.44Å; K541-H543 VanDerWaalsContact C-N 3.32Å; K541-Q544 PolarHBondContact O-N 3.07Å
542	V	84	Confident	84	Confident	43 Å²	43	69 Å²	69	26%	0.261	37%	0.367	S	S	.	.	H	α-helix	trans	-65.6	-38.6	175.1	164.1	0	0	0	0	111.3	S538 L540 R545 H564	S538-V542 WeakPolarHBondContact O-CB 3.38Å; S538-V542 VanDerWaalsContact O-CG2 3.3Å; S538-V542 WeakPolarHBondContact O-CG2 3.4Å; S538-V542 PolarHBondContact O-N 2.74Å; S538-V542 VanDerWaalsContact O-N 3.1Å; L540-V542 VanDerWaalsContact C-N 3.31Å; L540-V542 PolarHBondContact O-N 3.02Å; V542-R545 WeakPolarHBondContact O-CB 3.42Å; V542-R545 PolarHBondContact O-N 3.47Å; V542-H564 WeakPolarHBondContact CG1-CE1 3.44Å; V542-H564 WeakPolarHBondContact CG1-NE2 3.06Å
543	H	84	Confident	84.1	Confident	10 Å²	10	67.1 Å²	67.1	5%	0.046	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-38.6	176.8	163.7	65.3	0	0	0	112.8	C527 C530 Y534 S539 L540 K541 R545 L546 H547	C527-H543 PolarHBondContact SG-NE2 3.15Å; C527-H543 VanDerWaalsContact SG-NE2 3.43Å; C530-H543 PolarHBondContact SG-CE1 2.76Å; C530-H543 PolarHBondContact SG-NE2 2.93Å; Y534-H543 HydrophobicContact CE1-CB 4.11Å; Y534-H543 HydrophobicContact CE2-CB 3.75Å; Y534-H543 AromaticContact CE2-CD2 3.25Å; Y534-H543 WeakPolarHBondContact CE2-CD2 3.34Å; Y534-H543 AromaticContact CE2-CG 3.5Å; Y534-H543 VanDerWaalsContact CE2-CG 3.5Å; Y534-H543 AromaticContact CE2-NE2 3.88Å; Y534-H543 VanDerWaalsContact CZ-CB 3.49Å; Y534-H543 AromaticContact CZ-CD2 3.6Å; Y534-H543 AromaticContact CZ-CG 3.34Å; Y534-H543 AromaticContact CZ-ND1 3.84Å; Y534-H543 WeakPolarHBondContact OH-CB 3.47Å; Y534-H543 PolarHBondContact OH-CD2 3.38Å; Y534-H543 VanDerWaalsContact OH-CD2 3.32Å; Y534-H543 PolarHBondContact OH-CE1 3.21Å; Y534-H543 VanDerWaalsContact OH-CE1 3.31Å; Y534-H543 PolarHBondContact OH-ND1 3.29Å; Y534-H543 PolarHBondContact OH-NE2 3.48Å; S539-H543 VanDerWaalsContact O-CB 3.28Å; S539-H543 WeakPolarHBondContact O-CB 3.41Å; S539-H543 PolarHBondContact O-N 2.86Å; L540-H543 CarbonylContact O-C 3.59Å; L540-H543 WeakPolarHBondContact O-CA 3.37Å; L540-H543 WeakPolarHBondContact O-CB 3.4Å; L540-H543 PolarHBondContact O-N 3.46Å; K541-H543 VanDerWaalsContact C-N 3.32Å; H543-R545 PolarHBondContact O-N 3.02Å; H543-R545 VanDerWaalsContact O-N 3.13Å; H543-L546 WeakPolarHBondContact O-CA 3.3Å; H543-L546 WeakPolarHBondContact O-CB 3.47Å; H543-L546 VanDerWaalsContact O-CG 3.32Å; H543-L546 WeakPolarHBondContact O-CG 3.4Å; H543-L546 PolarHBondContact O-N 2.93Å; H543-H547 AromaticContact CE1-NE2 3.6Å; H543-H547 AromaticContact NE2-NE2 3.52Å
544	Q	83.8	Confident	84.1	Confident	73 Å²	73	71.4 Å²	71.4	34%	0.341	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-26.6	177.3	-74.8	172.4	-47.5	0	0	112.3	L540 K541 L546 H547 T548	L540-Q544 HydrophobicContact CD1-CG 4.08Å; L540-Q544 HydrophobicContact CG-CG 4.35Å; L540-Q544 WeakPolarHBondContact O-CG 3.38Å; L540-Q544 PolarHBondContact O-N 2.87Å; K541-Q544 PolarHBondContact O-N 3.07Å; Q544-L546 PolarHBondContact O-N 3.45Å; Q544-L546 VanDerWaalsContact O-N 3.12Å; Q544-H547 PolarHBondContact O-N 2.88Å; Q544-T548 PolarHBondContact O-N 3.25Å; Q544-T548 VanDerWaalsContact O-N 3.09Å; Q544-T548 PolarHBondContact O-OG1 3.49Å
545	R	84.8	Confident	84.2	Confident	45 Å²	45	69 Å²	69	17%	0.17	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.1	169.8	-60.4	178.9	179.1	155.2	0.8	114.3	V542 H543 G549 D550 K563	V542-R545 WeakPolarHBondContact O-CB 3.42Å; V542-R545 PolarHBondContact O-N 3.47Å; H543-R545 PolarHBondContact O-N 3.02Å; H543-R545 VanDerWaalsContact O-N 3.13Å; R545-G549 PolarHBondContact O-N 2.77Å; R545-D550 WeakPolarHBondContact CB-O 3.2Å; R545-D550 HydrophobicContact CG-CB 4.38Å; R545-K563 HydrophobicContact CB-CD 4.36Å; R545-K563 PolarHBondContact NH1-O 3.12Å; R545-K563 PolarHBondContact O-NZ 3.35Å
546	L	80.7	Confident	84.2	Confident	101 Å²	101	74.6 Å²	74.6	53%	0.529	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-37.2	168.7	-60.1	-175	0	0	0	111.5	H543 Q544 K563	H543-L546 WeakPolarHBondContact O-CA 3.3Å; H543-L546 WeakPolarHBondContact O-CB 3.47Å; H543-L546 VanDerWaalsContact O-CG 3.32Å; H543-L546 WeakPolarHBondContact O-CG 3.4Å; H543-L546 PolarHBondContact O-N 2.93Å; Q544-L546 PolarHBondContact O-N 3.45Å; Q544-L546 VanDerWaalsContact O-N 3.12Å; L546-K563 HydrophobicContact CD2-CD 3.94Å
547	H	81.7	Confident	84.1	Confident	82 Å²	82	75 Å²	75	38%	0.38	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-47.3	178.6	-64.9	-63.9	0	0	0	111.8	D529 C530 H543 Q544 G549	D529-H547 HydrophobicContact CB-CB 4.42Å; D529-H547 IonicContact OD2-CD2 3.92Å; D529-H547 IonicContact OD2-CG 3.02Å; C530-H547 PolarHBondContact SG-NE2 2.94Å; H543-H547 AromaticContact CE1-NE2 3.6Å; H543-H547 AromaticContact NE2-NE2 3.52Å; Q544-H547 PolarHBondContact O-N 2.88Å; H547-G549 PolarHBondContact O-N 3.45Å
548	T	83.4	Confident	84.1	Confident	101 Å²	101	73 Å²	73	62%	0.62	39%	0.387	S	S	*	.	S	Bend	trans	-76.7	-10.3	-177.9	62.2	0	0	0	0	113.7	Q544 D550	Q544-T548 PolarHBondContact O-N 3.25Å; Q544-T548 VanDerWaalsContact O-N 3.09Å; Q544-T548 PolarHBondContact O-OG1 3.49Å; T548-D550 PolarHBondContact O-N 2.87Å; T548-D550 WeakPolarHBondContact OG1-CB 3.44Å; T548-D550 PolarHBondContact OG1-N 3.42Å
549	G	79.9	Confident	84.1	Confident	42 Å²	42	70.9 Å²	70.9	43%	0.433	38%	0.377	S	S	.	.			trans	67.5	-1.8	-169.9	0	0	0	0	0	114.6	R545 H547 K551	R545-G549 PolarHBondContact O-N 2.77Å; H547-G549 PolarHBondContact O-N 3.45Å; G549-K551 PolarHBondContact O-N 3.11Å
550	D	83.1	Confident	84.1	Confident	74 Å²	74	74.7 Å²	74.7	40%	0.396	39%	0.388	S	S	.	.			trans	-59.5	129.7	-171.9	179.1	28	0	0	0	112.6	R545 T548	R545-D550 WeakPolarHBondContact CB-O 3.2Å; R545-D550 HydrophobicContact CG-CB 4.38Å; T548-D550 PolarHBondContact O-N 2.87Å; T548-D550 WeakPolarHBondContact OG1-CB 3.44Å; T548-D550 PolarHBondContact OG1-N 3.42Å
551	K	85.6	Confident	84	Confident	107 Å²	107	76.3 Å²	76.3	47%	0.465	40%	0.4	S	S	.	.			trans	-132.6	75.3	-178.5	-74.1	164.9	172.3	-178.6	0	108	G549 Y553 S561 F562 K563	G549-K551 PolarHBondContact O-N 3.11Å; K551-Y553 PolarHBondContact O-N 2.87Å; K551-S561 WeakPolarHBondContact CD-O 3.42Å; K551-S561 WeakPolarHBondContact O-CB 3.47Å; K551-F562 CarbonylContact C-O 3.37Å; K551-F562 WeakPolarHBondContact CA-O 3.43Å; K551-K563 HydrophobicContact CG-CG 3.73Å
552	P	83.4	Confident	83.9	Confident	63 Å²	63	72.6 Å²	72.6	41%	0.409	38%	0.384	S	S	.	.			trans	-72.8	-14.7	-168.2	27.1	-34.1	0	0	0	113.6	K554	P552-K554 PolarHBondContact O-N 3.07Å
553	Y	87.2	Confident	83.8	Confident	80 Å²	80	73 Å²	73	31%	0.314	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	94.9	-177.5	-51.1	-74.4	0	0	0	110.1	K551 S561 F562 L565 V568	K551-Y553 PolarHBondContact O-N 2.87Å; Y553-S561 CarbonylContact O-C 3.32Å; Y553-S561 WeakPolarHBondContact O-CA 3.49Å; Y553-F562 WeakPolarHBondContact CD2-O 3.44Å; Y553-F562 PolarHBondContact N-O 3.31Å; Y553-F562 PolarHBondContact O-N 3.14Å; Y553-L565 HydrophobicContact CD1-CB 4.07Å; Y553-L565 HydrophobicContact CD1-CD1 4.05Å; Y553-L565 VanDerWaalsContact CD2-N 3.35Å; Y553-L565 HydrophobicContact CE1-CB 4.04Å; Y553-L565 HydrophobicContact CE2-CB 4.46Å; Y553-L565 HydrophobicContact CG-CB 4.33Å; Y553-V568 VanDerWaalsContact O-CG2 3.31Å; Y553-V568 WeakPolarHBondContact O-CG2 3.34Å
554	K	84.6	Confident	83.8	Confident	131 Å²	131	76.3 Å²	76.3	57%	0.57	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	136.8	176.7	-168.2	175.9	178.3	-177	0	110.6	P552	P552-K554 PolarHBondContact O-N 3.07Å
555	C	86.5	Confident	83.8	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.027	40%	0.404	C	S	.	.			trans	-77	124.9	164.3	176.6	0	0	0	0	108.6	E557 G559 K560 F562 V568	C555-E557 VanDerWaalsContact C-N 3.29Å; C555-E557 PolarHBondContact O-N 2.98Å; C555-G559 WeakPolarHBondContact O-CA 3.31Å; C555-G559 PolarHBondContact O-N 3.4Å; C555-K560 WeakPolarHBondContact CB-O 3.39Å; C555-K560 PolarHBondContact N-O 2.85Å; C555-F562 HydrophobicContact CB-CE2 4.33Å; C555-V568 HydrophobicContact CB-CG1 4.49Å
556	N	84.4	Confident	83.7	Confident	158 Å²	158	78.3 Å²	78.3	85%	0.845	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.9	-178.5	-66.5	-5.7	0	0	0	112.6
557	E	81.2	Confident	84	Confident	106 Å²	106	75.6 Å²	75.6	50%	0.495	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-37.1	-175.4	-66.2	167.2	148.9	0	0	113.5	C555 H572 H575	C555-E557 VanDerWaalsContact C-N 3.29Å; C555-E557 PolarHBondContact O-N 2.98Å; E557-H572 IonicContact OE1-CE1 2.97Å; E557-H572 PolarHBondContact OE1-CE1 3.35Å; E557-H572 VanDerWaalsContact OE1-CE1 3.3Å; E557-H572 IonicContact OE1-ND1 3.04Å; E557-H572 IonicContact OE2-CE1 3.82Å; E557-H572 PolarHBondContact OE2-CE1 3.23Å; E557-H572 IonicContact OE2-ND1 3.92Å; E557-H572 PolarHBondContact OE2-ND1 3.07Å; E557-H575 WeakPolarHBondContact OE2-CB 3.41Å; E557-H575 IonicContact OE2-CD2 3.1Å; E557-H575 PolarHBondContact OE2-CD2 3.09Å; E557-H575 IonicContact OE2-CG 3.94Å; E557-H575 IonicContact OE2-ND1 3.09Å; E557-H575 IonicContact OE2-NE2 2.99Å
558	C	86.8	Confident	84.1	Confident	53 Å²	53	72.7 Å²	72.7	36%	0.358	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	3.9	-179.8	69.1	0	0	0	0	115	K560 H571 H575	C558-K560 PolarHBondContact O-N 3.16Å; C558-K560 VanDerWaalsContact SG-CG 3.54Å; C558-H571 PolarHBondContact SG-NE2 3.17Å; C558-H575 PolarHBondContact SG-NE2 2.79Å
559	G	83	Confident	84.2	Confident	32 Å²	32	74.3 Å²	74.3	33%	0.33	40%	0.395	S	S	.	.			trans	69.2	-1.9	-179.4	0	0	0	0	0	115.6	C555 S561	C555-G559 WeakPolarHBondContact O-CA 3.31Å; C555-G559 PolarHBondContact O-N 3.4Å; G559-S561 PolarHBondContact O-N 3.16Å
560	K	85.2	Confident	84.4	Confident	127 Å²	127	75.3 Å²	75.3	55%	0.552	39%	0.39	S	S	*	.			trans	-63.2	127.2	179	-72.4	177	-175.6	170.3	0	110.4	C555 C558 F562	C555-K560 WeakPolarHBondContact CB-O 3.39Å; C555-K560 PolarHBondContact N-O 2.85Å; C558-K560 PolarHBondContact O-N 3.16Å; C558-K560 VanDerWaalsContact SG-CG 3.54Å; K560-F562 HydrophobicContact CB-CE2 3.67Å; K560-F562 HydrophobicContact CB-CZ 3.97Å; K560-F562 VanDerWaalsContact O-CD2 3.29Å; K560-F562 WeakPolarHBondContact O-CD2 3.34Å; K560-F562 WeakPolarHBondContact O-CE2 3.41Å
561	S	85.1	Confident	84.5	Confident	48 Å²	48	72.9 Å²	72.9	34%	0.336	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.6	-179.4	-64.5	0	0	0	0	111.8	K551 Y553 G559	K551-S561 WeakPolarHBondContact CD-O 3.42Å; K551-S561 WeakPolarHBondContact O-CB 3.47Å; Y553-S561 CarbonylContact O-C 3.32Å; Y553-S561 WeakPolarHBondContact O-CA 3.49Å; G559-S561 PolarHBondContact O-N 3.16Å
562	F	84.5	Confident	84.5	Confident	45 Å²	45	71.2 Å²	71.2	20%	0.197	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152	-175.6	-60	-97.3	0	0	0	111.8	K551 Y553 C555 K560 H564 V568 H571	K551-F562 CarbonylContact C-O 3.37Å; K551-F562 WeakPolarHBondContact CA-O 3.43Å; Y553-F562 WeakPolarHBondContact CD2-O 3.44Å; Y553-F562 PolarHBondContact N-O 3.31Å; Y553-F562 PolarHBondContact O-N 3.14Å; C555-F562 HydrophobicContact CB-CE2 4.33Å; K560-F562 HydrophobicContact CB-CE2 3.67Å; K560-F562 HydrophobicContact CB-CZ 3.97Å; K560-F562 VanDerWaalsContact O-CD2 3.29Å; K560-F562 WeakPolarHBondContact O-CD2 3.34Å; K560-F562 WeakPolarHBondContact O-CE2 3.41Å; F562-H564 VanDerWaalsContact C-N 3.33Å; F562-V568 HydrophobicContact CB-CG2 3.76Å; F562-V568 HydrophobicContact CD2-CB 4.43Å; F562-V568 HydrophobicContact CD2-CG2 3.62Å; F562-V568 HydrophobicContact CG-CG2 3.94Å; F562-H571 HydrophobicContact CE1-CB 3.95Å; F562-H571 HydrophobicContact CE2-CB 3.98Å; F562-H571 AromaticContact CE2-CD2 3.35Å; F562-H571 WeakPolarHBondContact CE2-CD2 3.35Å; F562-H571 AromaticContact CE2-CG 3.66Å; F562-H571 AromaticContact CE2-NE2 3.98Å; F562-H571 HydrophobicContact CZ-CB 3.47Å; F562-H571 VanDerWaalsContact CZ-CB 3.47Å; F562-H571 AromaticContact CZ-CD2 3.4Å; F562-H571 WeakPolarHBondContact CZ-CD2 3.17Å; F562-H571 AromaticContact CZ-CG 3.21Å; F562-H571 AromaticContact CZ-ND1 3.76Å; F562-H571 AromaticContact CZ-NE2 3.96Å
563	K	82.1	Confident	84.6	Confident	51 Å²	51	71 Å²	71	22%	0.222	36%	0.361	C	S	.	.	S	Bend	trans	-76.9	-19.1	179.1	-56.8	-167.3	-177	-158.4	0	113.4	R545 L546 K551	R545-K563 HydrophobicContact CB-CD 4.36Å; R545-K563 PolarHBondContact NH1-O 3.12Å; R545-K563 PolarHBondContact O-NZ 3.35Å; L546-K563 HydrophobicContact CD2-CD 3.94Å; K551-K563 HydrophobicContact CG-CG 3.73Å
564	H	83.7	Confident	84.4	Confident	79 Å²	79	72.5 Å²	72.5	37%	0.366	37%	0.37	S	S	.	.	S	Bend	trans	-132.4	142.3	-179.3	-63.6	-104.9	0	0	0	111.6	V542 F562 S566 S567 V568	V542-H564 WeakPolarHBondContact CG1-CE1 3.44Å; V542-H564 WeakPolarHBondContact CG1-NE2 3.06Å; F562-H564 VanDerWaalsContact C-N 3.33Å; H564-S566 VanDerWaalsContact C-N 3.27Å; H564-S566 PolarHBondContact O-N 3.5Å; H564-S567 WeakPolarHBondContact O-CB 3.43Å; H564-S567 PolarHBondContact O-N 2.82Å; H564-S567 VanDerWaalsContact O-N 3.07Å; H564-V568 PolarHBondContact O-N 3.11Å
565	L	83.7	Confident	84.3	Confident	90 Å²	90	70.1 Å²	70.1	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-35.2	173.8	-177.1	62.2	0	0	0	112.4	Y553 S567 V568 K569	Y553-L565 HydrophobicContact CD1-CB 4.07Å; Y553-L565 HydrophobicContact CD1-CD1 4.05Å; Y553-L565 VanDerWaalsContact CD2-N 3.35Å; Y553-L565 HydrophobicContact CE1-CB 4.04Å; Y553-L565 HydrophobicContact CE2-CB 4.46Å; Y553-L565 HydrophobicContact CG-CB 4.33Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-S567 PolarHBondContact O-N 2.95Å; L565-V568 PolarHBondContact O-N 3.31Å; L565-K569 PolarHBondContact O-N 2.85Å
566	S	82.4	Confident	84.3	Confident	71 Å²	71	74.5 Å²	74.5	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-34.1	174.8	51.8	0	0	0	0	112.4	H564 K569 I570	H564-S566 VanDerWaalsContact C-N 3.27Å; H564-S566 PolarHBondContact O-N 3.5Å; S566-K569 PolarHBondContact O-N 3.17Å; S566-I570 VanDerWaalsContact O-CG1 3.29Å; S566-I570 WeakPolarHBondContact O-CG1 3.3Å; S566-I570 PolarHBondContact O-N 3.28Å
567	S	86.2	Confident	84.1	Confident	44 Å²	44	69.2 Å²	69.2	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-66.8	-40.2	175.1	-57	0	0	0	0	111.5	H564 L565 I570 H571	H564-S567 WeakPolarHBondContact O-CB 3.43Å; H564-S567 PolarHBondContact O-N 2.82Å; H564-S567 VanDerWaalsContact O-N 3.07Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-S567 PolarHBondContact O-N 2.95Å; S567-I570 PolarHBondContact O-N 3.28Å; S567-H571 WeakPolarHBondContact O-CB 3.48Å; S567-H571 PolarHBondContact O-N 3.11Å
568	V	85.1	Confident	84.3	Confident	21 Å²	21	70.4 Å²	70.4	13%	0.127	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-46.1	172.8	-173.8	0	0	0	0	110.9	Y553 C555 F562 H564 L565 I570 H571 H572	Y553-V568 VanDerWaalsContact O-CG2 3.31Å; Y553-V568 WeakPolarHBondContact O-CG2 3.34Å; C555-V568 HydrophobicContact CB-CG1 4.49Å; F562-V568 HydrophobicContact CB-CG2 3.76Å; F562-V568 HydrophobicContact CD2-CB 4.43Å; F562-V568 HydrophobicContact CD2-CG2 3.62Å; F562-V568 HydrophobicContact CG-CG2 3.94Å; H564-V568 PolarHBondContact O-N 3.11Å; L565-V568 PolarHBondContact O-N 3.31Å; V568-I570 VanDerWaalsContact C-N 3.33Å; V568-I570 PolarHBondContact O-N 3.38Å; V568-H571 CarbonylContact O-C 3.37Å; V568-H571 WeakPolarHBondContact O-CA 3.42Å; V568-H571 WeakPolarHBondContact O-CB 3.38Å; V568-H571 PolarHBondContact O-N 3.27Å; V568-H571 VanDerWaalsContact O-N 3.08Å; V568-H572 WeakPolarHBondContact O-CB 3.42Å; V568-H572 PolarHBondContact O-N 3.09Å
569	K	84.8	Confident	84.3	Confident	135 Å²	135	73.4 Å²	73.4	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-59.6	-42.9	178.5	-72	-174.6	178.8	-170	0	112.5	L565 S566 H571	L565-K569 PolarHBondContact O-N 2.85Å; S566-K569 PolarHBondContact O-N 3.17Å; K569-H571 VanDerWaalsContact C-N 3.32Å
570	I	84.6	Confident	84.3	Confident	63 Å²	63	74.1 Å²	74.1	32%	0.323	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-36.1	175.8	-67.3	166.3	0	0	0	110.6	S566 S567 V568 R573 F574 T592	S566-I570 VanDerWaalsContact O-CG1 3.29Å; S566-I570 WeakPolarHBondContact O-CG1 3.3Å; S566-I570 PolarHBondContact O-N 3.28Å; S567-I570 PolarHBondContact O-N 3.28Å; V568-I570 VanDerWaalsContact C-N 3.33Å; V568-I570 PolarHBondContact O-N 3.38Å; I570-R573 WeakPolarHBondContact O-CB 3.43Å; I570-F574 HydrophobicContact CG2-CE2 4.39Å; I570-F574 VanDerWaalsContact O-CD2 3.3Å; I570-F574 WeakPolarHBondContact O-CD2 3.37Å; I570-F574 WeakPolarHBondContact O-CE2 3.5Å; I570-T592 HydrophobicContact CD1-CG2 4.23Å; I570-T592 HydrophobicContact CG1-CG2 4.34Å; I570-T592 HydrophobicContact CG2-CG2 3.56Å
571	H	85.4	Confident	84.5	Confident	23 Å²	23	71.9 Å²	71.9	11%	0.106	36%	0.36	C	S	.	.	H	α-helix	trans	-68.1	-42.6	177.5	168.7	59.9	0	0	0	112.6	C558 F562 S567 V568 K569 R573 F574 H575	C558-H571 PolarHBondContact SG-NE2 3.17Å; F562-H571 HydrophobicContact CE1-CB 3.95Å; F562-H571 HydrophobicContact CE2-CB 3.98Å; F562-H571 AromaticContact CE2-CD2 3.35Å; F562-H571 WeakPolarHBondContact CE2-CD2 3.35Å; F562-H571 AromaticContact CE2-CG 3.66Å; F562-H571 AromaticContact CE2-NE2 3.98Å; F562-H571 HydrophobicContact CZ-CB 3.47Å; F562-H571 VanDerWaalsContact CZ-CB 3.47Å; F562-H571 AromaticContact CZ-CD2 3.4Å; F562-H571 WeakPolarHBondContact CZ-CD2 3.17Å; F562-H571 AromaticContact CZ-CG 3.21Å; F562-H571 AromaticContact CZ-ND1 3.76Å; F562-H571 AromaticContact CZ-NE2 3.96Å; S567-H571 WeakPolarHBondContact O-CB 3.48Å; S567-H571 PolarHBondContact O-N 3.11Å; V568-H571 CarbonylContact O-C 3.37Å; V568-H571 WeakPolarHBondContact O-CA 3.42Å; V568-H571 WeakPolarHBondContact O-CB 3.38Å; V568-H571 PolarHBondContact O-N 3.27Å; V568-H571 VanDerWaalsContact O-N 3.08Å; K569-H571 VanDerWaalsContact C-N 3.32Å; H571-R573 PolarHBondContact O-N 3.16Å; H571-F574 VanDerWaalsContact O-CB 3.31Å; H571-F574 WeakPolarHBondContact O-CB 3.34Å; H571-F574 WeakPolarHBondContact O-CD2 3.45Å; H571-F574 PolarHBondContact O-N 3.45Å; H571-H575 AromaticContact CE1-NE2 3.58Å; H571-H575 AromaticContact NE2-CD2 3.85Å; H571-H575 AromaticContact NE2-NE2 3.3Å; H571-H575 PolarHBondContact NE2-NE2 3.3Å
572	H	84	Confident	84.6	Confident	72 Å²	72	75.7 Å²	75.7	33%	0.333	37%	0.371	S	S	.	.	H	α-helix	trans	-59.4	-30.5	177.9	-179.7	61	0	0	0	112.1	E557 V568 F574 H575 I576	E557-H572 IonicContact OE1-CE1 2.97Å; E557-H572 PolarHBondContact OE1-CE1 3.35Å; E557-H572 VanDerWaalsContact OE1-CE1 3.3Å; E557-H572 IonicContact OE1-ND1 3.04Å; E557-H572 IonicContact OE2-CE1 3.82Å; E557-H572 PolarHBondContact OE2-CE1 3.23Å; E557-H572 IonicContact OE2-ND1 3.92Å; E557-H572 PolarHBondContact OE2-ND1 3.07Å; V568-H572 WeakPolarHBondContact O-CB 3.42Å; V568-H572 PolarHBondContact O-N 3.09Å; H572-F574 PolarHBondContact O-N 3.26Å; H572-H575 WeakPolarHBondContact O-CB 3.32Å; H572-H575 PolarHBondContact O-N 3.43Å; H572-I576 PolarHBondContact O-N 3.31Å
573	R	86.9	Confident	84.7	Confident	58 Å²	58	73.7 Å²	73.7	22%	0.219	36%	0.362	C	S	.	.	H	α-helix	trans	-56.5	-23.2	170.7	-66.9	177.4	-176.9	172	-2.7	114.2	I570 H571 G577 Y578 T591	I570-R573 WeakPolarHBondContact O-CB 3.43Å; H571-R573 PolarHBondContact O-N 3.16Å; R573-G577 CarbonylContact O-C 3.59Å; R573-G577 WeakPolarHBondContact O-CA 3.46Å; R573-G577 PolarHBondContact O-N 3.4Å; R573-Y578 WeakPolarHBondContact CB-O 3.35Å; R573-Y578 HydrophobicContact CG-CD1 4.3Å; R573-Y578 PolarHBondContact O-N 3.18Å; R573-T591 HydrophobicContact CB-CG2 4.34Å; R573-T591 PolarHBondContact NH1-O 2.76Å
574	F	82.8	Confident	84.9	Confident	112 Å²	112	78.7 Å²	78.7	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-79.6	-27.7	175	-67.3	-94.1	0	0	0	112.7	I570 H571 H572 T591	I570-F574 HydrophobicContact CG2-CE2 4.39Å; I570-F574 VanDerWaalsContact O-CD2 3.3Å; I570-F574 WeakPolarHBondContact O-CD2 3.37Å; I570-F574 WeakPolarHBondContact O-CE2 3.5Å; H571-F574 VanDerWaalsContact O-CB 3.31Å; H571-F574 WeakPolarHBondContact O-CB 3.34Å; H571-F574 WeakPolarHBondContact O-CD2 3.45Å; H571-F574 PolarHBondContact O-N 3.45Å; H572-F574 PolarHBondContact O-N 3.26Å; F574-T591 HydrophobicContact CE1-CG2 4.3Å; F574-T591 HydrophobicContact CE2-CG2 4.44Å; F574-T591 HydrophobicContact CZ-CG2 4.25Å
575	H	82.4	Confident	84.9	Confident	81 Å²	81	80.2 Å²	80.2	38%	0.375	40%	0.399	S	S	.	.	H	α-helix	trans	-70.2	-48.6	174.2	-74.4	-64.6	0	0	0	111.3	E557 C558 H571 H572 G577	E557-H575 WeakPolarHBondContact OE2-CB 3.41Å; E557-H575 IonicContact OE2-CD2 3.1Å; E557-H575 PolarHBondContact OE2-CD2 3.09Å; E557-H575 IonicContact OE2-CG 3.94Å; E557-H575 IonicContact OE2-ND1 3.09Å; E557-H575 IonicContact OE2-NE2 2.99Å; C558-H575 PolarHBondContact SG-NE2 2.79Å; H571-H575 AromaticContact CE1-NE2 3.58Å; H571-H575 AromaticContact NE2-CD2 3.85Å; H571-H575 AromaticContact NE2-NE2 3.3Å; H571-H575 PolarHBondContact NE2-NE2 3.3Å; H572-H575 WeakPolarHBondContact O-CB 3.32Å; H572-H575 PolarHBondContact O-N 3.43Å; H575-G577 VanDerWaalsContact C-N 3.27Å; H575-G577 PolarHBondContact O-N 3.23Å
576	I	85.2	Confident	85.1	Confident	96 Å²	96	78.5 Å²	78.5	49%	0.492	39%	0.394	S	S	.	.	S	Bend	trans	-81.8	-0.5	179.2	58.5	170.8	0	0	0	113.9	H572 Y578	H572-I576 PolarHBondContact O-N 3.31Å; I576-Y578 HydrophobicContact CD1-CD1 4.26Å; I576-Y578 HydrophobicContact CD1-CG 4.05Å; I576-Y578 PolarHBondContact O-N 3.28Å
577	G	81.6	Confident	85.1	Confident	47 Å²	47	76.7 Å²	76.7	49%	0.485	39%	0.386	S	S	.	.			trans	63.8	5.7	-174.4	0	0	0	0	0	115.4	R573 H575 K579	R573-G577 CarbonylContact O-C 3.59Å; R573-G577 WeakPolarHBondContact O-CA 3.46Å; R573-G577 PolarHBondContact O-N 3.4Å; H575-G577 VanDerWaalsContact C-N 3.27Å; H575-G577 PolarHBondContact O-N 3.23Å; G577-K579 PolarHBondContact O-N 3.06Å
578	Y	84.4	Confident	85.2	Confident	131 Å²	131	80.7 Å²	80.7	51%	0.514	40%	0.398	S	S	.	.			trans	-70.6	116.9	-172	-177.3	-120.2	0	0	0	112.8	R573 I576 P580	R573-Y578 WeakPolarHBondContact CB-O 3.35Å; R573-Y578 HydrophobicContact CG-CD1 4.3Å; R573-Y578 PolarHBondContact O-N 3.18Å; I576-Y578 HydrophobicContact CD1-CD1 4.26Å; I576-Y578 HydrophobicContact CD1-CG 4.05Å; I576-Y578 PolarHBondContact O-N 3.28Å; Y578-P580 HydrophobicContact CD1-CG 4.26Å; Y578-P580 HydrophobicContact CE1-CB 3.81Å; Y578-P580 HydrophobicContact CE1-CG 3.84Å; Y578-P580 WeakPolarHBondContact O-CD 3.48Å
579	K	87	Confident	85.3	Confident	115 Å²	115	81.7 Å²	81.7	50%	0.5	41%	0.406	S	S	.	.			trans	-121.4	84.8	-177.7	-70.9	163	176.7	-179.6	0	109.5	G577 Y581 S589 F590 T591	G577-K579 PolarHBondContact O-N 3.06Å; K579-Y581 VanDerWaalsContact C-N 3.26Å; K579-Y581 PolarHBondContact O-N 3.19Å; K579-S589 WeakPolarHBondContact CD-O 3.37Å; K579-S589 WeakPolarHBondContact O-CB 3.22Å; K579-F590 CarbonylContact C-O 3.4Å; K579-F590 WeakPolarHBondContact CA-O 3.48Å; K579-T591 HydrophobicContact CG-CG2 3.71Å
580	P	84	Confident	85.4	Confident	47 Å²	47	77.1 Å²	77.1	31%	0.305	39%	0.387	S	S	.	.			trans	-71.1	-16.1	-171.7	24	-31.8	0	0	0	114.6	Y578 K582	Y578-P580 HydrophobicContact CD1-CG 4.26Å; Y578-P580 HydrophobicContact CE1-CB 3.81Å; Y578-P580 HydrophobicContact CE1-CG 3.84Å; Y578-P580 WeakPolarHBondContact O-CD 3.48Å; P580-K582 PolarHBondContact O-N 2.84Å
581	Y	88.5	Confident	85.4	Confident	80 Å²	80	74.4 Å²	74.4	31%	0.314	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	88.1	-175	-56.5	-77.1	0	0	0	110.1	K579 S589 F590 T592 S593	K579-Y581 VanDerWaalsContact C-N 3.26Å; K579-Y581 PolarHBondContact O-N 3.19Å; Y581-S589 CarbonylContact O-C 3.41Å; Y581-S589 WeakPolarHBondContact O-CA 3.31Å; Y581-F590 WeakPolarHBondContact CD2-O 3.41Å; Y581-F590 PolarHBondContact N-O 2.94Å; Y581-F590 VanDerWaalsContact N-O 3.15Å; Y581-F590 PolarHBondContact O-N 3.12Å; Y581-T592 VanDerWaalsContact CD2-CA 3.48Å; Y581-S593 VanDerWaalsContact CD2-N 3.32Å; Y581-S593 VanDerWaalsContact CE2-N 3.32Å
582	K	86.1	Confident	85.4	Confident	129 Å²	129	74.6 Å²	74.6	56%	0.561	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.5	177.1	-169.5	176.2	178.3	-175.8	0	110.6	P580	P580-K582 PolarHBondContact O-N 2.84Å
583	C	88.1	Confident	85.6	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.014	38%	0.381	C	S	.	.			trans	-75.8	125.3	165.9	-175.6	0	0	0	0	108.5	E585 G587 K588 F590 L596 H603	C583-E585 VanDerWaalsContact C-N 3.31Å; C583-G587 WeakPolarHBondContact O-CA 3.49Å; C583-G587 PolarHBondContact O-N 3.39Å; C583-K588 WeakPolarHBondContact CB-O 3.44Å; C583-K588 PolarHBondContact N-O 3.13Å; C583-F590 HydrophobicContact CB-CE2 4.43Å; C583-L596 HydrophobicContact CB-CD1 3.64Å; C583-H603 PolarHBondContact SG-NE2 3.11Å
584	N	86.7	Confident	85.4	Confident	157 Å²	157	75.6 Å²	75.6	84%	0.84	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-26.5	-179.7	-67.4	-8.1	0	0	0	112.2
585	E	82	Confident	85.6	Confident	111 Å²	111	75 Å²	75	52%	0.519	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-34.9	-175.8	-65.3	170.9	143.5	0	0	113.6	C583 H600 H603	C583-E585 VanDerWaalsContact C-N 3.31Å; E585-H600 IonicContact OE2-NE2 3.92Å; E585-H603 WeakPolarHBondContact OE2-CB 3.47Å; E585-H603 IonicContact OE2-CD2 2.94Å; E585-H603 PolarHBondContact OE2-CD2 3.16Å; E585-H603 IonicContact OE2-CG 2.9Å; E585-H603 IonicContact OE2-ND1 3.8Å; E585-H603 IonicContact OE2-NE2 3.98Å
586	C	87.9	Confident	85.8	Confident	53 Å²	53	72.7 Å²	72.7	36%	0.358	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	5.4	178	67.5	0	0	0	0	115.2	K588 H599 H603	C586-K588 PolarHBondContact O-N 2.97Å; C586-H599 VanDerWaalsContact SG-CE1 3.57Å; C586-H599 PolarHBondContact SG-NE2 2.85Å; C586-H603 PolarHBondContact SG-NE2 3.19Å
587	G	84.1	Confident	85.8	Confident	33 Å²	33	75.2 Å²	75.2	34%	0.34	39%	0.394	S	S	.	.			trans	70.2	-5.6	-179.8	0	0	0	0	0	115.6	C583 S589	C583-G587 WeakPolarHBondContact O-CA 3.49Å; C583-G587 PolarHBondContact O-N 3.39Å; G587-S589 PolarHBondContact O-N 2.76Å
588	K	87	Confident	85.9	Confident	128 Å²	128	75 Å²	75	56%	0.557	38%	0.384	S	S	*	.			trans	-64	130.4	179.8	-71.7	179.5	-178.2	172.5	0	111	C583 C586 F590	C583-K588 WeakPolarHBondContact CB-O 3.44Å; C583-K588 PolarHBondContact N-O 3.13Å; C586-K588 PolarHBondContact O-N 2.97Å; K588-F590 HydrophobicContact CB-CE2 3.93Å; K588-F590 HydrophobicContact CB-CZ 4.03Å; K588-F590 WeakPolarHBondContact O-CE2 3.5Å
589	S	87.4	Confident	86	Confident	43 Å²	43	69.6 Å²	69.6	30%	0.301	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.7	-179.4	-61.5	0	0	0	0	112.6	K579 Y581 G587	K579-S589 WeakPolarHBondContact CD-O 3.37Å; K579-S589 WeakPolarHBondContact O-CB 3.22Å; Y581-S589 CarbonylContact O-C 3.41Å; Y581-S589 WeakPolarHBondContact O-CA 3.31Å; G587-S589 PolarHBondContact O-N 2.76Å
590	F	87.1	Confident	85.9	Confident	39 Å²	39	68.1 Å²	68.1	17%	0.171	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.1	-177.5	-59.5	-88.4	0	0	0	111.9	K579 Y581 C583 K588 T592 K595 L596 H599	K579-F590 CarbonylContact C-O 3.4Å; K579-F590 WeakPolarHBondContact CA-O 3.48Å; Y581-F590 WeakPolarHBondContact CD2-O 3.41Å; Y581-F590 PolarHBondContact N-O 2.94Å; Y581-F590 VanDerWaalsContact N-O 3.15Å; Y581-F590 PolarHBondContact O-N 3.12Å; C583-F590 HydrophobicContact CB-CE2 4.43Å; K588-F590 HydrophobicContact CB-CE2 3.93Å; K588-F590 HydrophobicContact CB-CZ 4.03Å; K588-F590 WeakPolarHBondContact O-CE2 3.5Å; F590-T592 VanDerWaalsContact C-N 3.34Å; F590-K595 HydrophobicContact CB-CB 4.03Å; F590-K595 HydrophobicContact CD1-CB 3.87Å; F590-K595 HydrophobicContact CG-CB 4.21Å; F590-L596 HydrophobicContact CB-CB 4.27Å; F590-L596 HydrophobicContact CD2-CB 3.88Å; F590-L596 HydrophobicContact CD2-CD1 3.71Å; F590-L596 HydrophobicContact CD2-CG 4.4Å; F590-L596 HydrophobicContact CE2-CD1 3.91Å; F590-L596 HydrophobicContact CG-CB 4.26Å; F590-H599 HydrophobicContact CE1-CB 3.88Å; F590-H599 HydrophobicContact CE2-CB 3.78Å; F590-H599 AromaticContact CE2-CD2 3.31Å; F590-H599 WeakPolarHBondContact CE2-CD2 3.47Å; F590-H599 AromaticContact CE2-CG 3.46Å; F590-H599 VanDerWaalsContact CE2-CG 3.46Å; F590-H599 AromaticContact CE2-NE2 3.9Å; F590-H599 HydrophobicContact CZ-CB 3.4Å; F590-H599 AromaticContact CZ-CD2 3.48Å; F590-H599 VanDerWaalsContact CZ-CD2 3.48Å; F590-H599 WeakPolarHBondContact CZ-CD2 3.09Å; F590-H599 AromaticContact CZ-CE1 3.96Å; F590-H599 AromaticContact CZ-CG 3.12Å; F590-H599 AromaticContact CZ-ND1 3.47Å; F590-H599 WeakPolarHBondContact CZ-ND1 3.29Å; F590-H599 AromaticContact CZ-NE2 3.94Å
591	T	85.1	Confident	85.9	Confident	6 Å²	6	67.2 Å²	67.2	4%	0.037	35%	0.348	C	S	.	.	S	Bend	trans	-76.9	-19.3	178.8	55.5	0	0	0	0	113.5	R573 F574 K579	R573-T591 HydrophobicContact CB-CG2 4.34Å; R573-T591 PolarHBondContact NH1-O 2.76Å; F574-T591 HydrophobicContact CE1-CG2 4.3Å; F574-T591 HydrophobicContact CE2-CG2 4.44Å; F574-T591 HydrophobicContact CZ-CG2 4.25Å; K579-T591 HydrophobicContact CG-CG2 3.71Å
592	T	85.4	Confident	85.6	Confident	26 Å²	26	68.3 Å²	68.3	16%	0.16	36%	0.359	C	S	.	.	S	Bend	trans	-138.3	145.6	179.5	63.5	0	0	0	0	111.8	I570 Y581 F590 S594 K595 L596	I570-T592 HydrophobicContact CD1-CG2 4.23Å; I570-T592 HydrophobicContact CG1-CG2 4.34Å; I570-T592 HydrophobicContact CG2-CG2 3.56Å; Y581-T592 VanDerWaalsContact CD2-CA 3.48Å; F590-T592 VanDerWaalsContact C-N 3.34Å; T592-S594 VanDerWaalsContact C-N 3.26Å; T592-S594 PolarHBondContact O-N 2.76Å; T592-K595 PolarHBondContact O-N 2.9Å; T592-K595 VanDerWaalsContact O-N 3.12Å; T592-K595 WeakPolarHBondContact OG1-CG 3.35Å; T592-L596 PolarHBondContact O-N 3.21Å
593	S	86.9	Confident	85.4	Confident	64 Å²	64	65.8 Å²	65.8	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-58.4	-37.1	177.1	171.6	0	0	0	0	112.2	Y581 K595 L596 K597	Y581-S593 VanDerWaalsContact CD2-N 3.32Å; Y581-S593 VanDerWaalsContact CE2-N 3.32Å; S593-K595 VanDerWaalsContact C-N 3.31Å; S593-K595 PolarHBondContact O-N 3.27Å; S593-L596 PolarHBondContact O-N 3.11Å; S593-K597 PolarHBondContact O-N 2.94Å
594	S	84.3	Confident	85.2	Confident	87 Å²	87	69.3 Å²	69.3	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-36	176.9	-46.2	0	0	0	0	113	T592 K597 V598	T592-S594 VanDerWaalsContact C-N 3.26Å; T592-S594 PolarHBondContact O-N 2.76Å; S594-K597 PolarHBondContact O-N 3.46Å; S594-V598 VanDerWaalsContact O-CG2 3.29Å; S594-V598 WeakPolarHBondContact O-CG2 3.44Å; S594-V598 PolarHBondContact O-N 3.41Å; S594-V598 VanDerWaalsContact O-N 3.07Å
595	K	86.1	Confident	84.9	Confident	99 Å²	99	63.7 Å²	63.7	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-68.8	-41.4	175.3	-76.5	180	178.5	-173.7	0	111.1	F590 T592 S593 V598 H599	F590-K595 HydrophobicContact CB-CB 4.03Å; F590-K595 HydrophobicContact CD1-CB 3.87Å; F590-K595 HydrophobicContact CG-CB 4.21Å; T592-K595 PolarHBondContact O-N 2.9Å; T592-K595 VanDerWaalsContact O-N 3.12Å; T592-K595 WeakPolarHBondContact OG1-CG 3.35Å; S593-K595 VanDerWaalsContact C-N 3.31Å; S593-K595 PolarHBondContact O-N 3.27Å; K595-V598 PolarHBondContact O-N 3.13Å; K595-H599 VanDerWaalsContact O-CB 3.3Å; K595-H599 WeakPolarHBondContact O-CB 3.39Å; K595-H599 PolarHBondContact O-N 3.46Å
596	L	86.8	Confident	85	Confident	33 Å²	33	62 Å²	62	17%	0.173	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-45.7	172.9	175.1	62.4	0	0	0	111.2	C583 F590 T592 S593 V598 H599 H600	C583-L596 HydrophobicContact CB-CD1 3.64Å; F590-L596 HydrophobicContact CB-CB 4.27Å; F590-L596 HydrophobicContact CD2-CB 3.88Å; F590-L596 HydrophobicContact CD2-CD1 3.71Å; F590-L596 HydrophobicContact CD2-CG 4.4Å; F590-L596 HydrophobicContact CE2-CD1 3.91Å; F590-L596 HydrophobicContact CG-CB 4.26Å; T592-L596 PolarHBondContact O-N 3.21Å; S593-L596 PolarHBondContact O-N 3.11Å; L596-V598 VanDerWaalsContact C-N 3.31Å; L596-V598 PolarHBondContact O-N 3.3Å; L596-H599 CarbonylContact O-C 3.39Å; L596-H599 WeakPolarHBondContact O-CA 3.46Å; L596-H599 WeakPolarHBondContact O-CB 3.48Å; L596-H599 PolarHBondContact O-N 3.07Å; L596-H600 PolarHBondContact O-N 3.3Å
597	K	85.5	Confident	84.9	Confident	149 Å²	149	64.7 Å²	64.7	65%	0.648	35%	0.35	S	S	*	.	H	α-helix	trans	-59.3	-41.5	178.6	-174.2	172.5	-175.5	171.5	0	112.4	S593 S594	S593-K597 PolarHBondContact O-N 2.94Å; S594-K597 PolarHBondContact O-N 3.46Å
598	V	84.2	Confident	84.8	Confident	44 Å²	44	66.1 Å²	66.1	27%	0.267	35%	0.353	S	S	.	.	H	α-helix	trans	-69.9	-36.8	175.5	171.4	0	0	0	0	111.2	S594 K595 L596 R601 H620	S594-V598 VanDerWaalsContact O-CG2 3.29Å; S594-V598 WeakPolarHBondContact O-CG2 3.44Å; S594-V598 PolarHBondContact O-N 3.41Å; S594-V598 VanDerWaalsContact O-N 3.07Å; K595-V598 PolarHBondContact O-N 3.13Å; L596-V598 VanDerWaalsContact C-N 3.31Å; L596-V598 PolarHBondContact O-N 3.3Å; V598-R601 VanDerWaalsContact O-CB 3.29Å; V598-R601 WeakPolarHBondContact O-CB 3.32Å; V598-R601 PolarHBondContact O-N 3.29Å; V598-H620 WeakPolarHBondContact CG1-CE1 3.48Å
599	H	85.6	Confident	84.9	Confident	17 Å²	17	63.5 Å²	63.5	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-36.8	174.6	168	73	0	0	0	112.8	C586 F590 K595 L596 R601 L602 H603	C586-H599 VanDerWaalsContact SG-CE1 3.57Å; C586-H599 PolarHBondContact SG-NE2 2.85Å; F590-H599 HydrophobicContact CE1-CB 3.88Å; F590-H599 HydrophobicContact CE2-CB 3.78Å; F590-H599 AromaticContact CE2-CD2 3.31Å; F590-H599 WeakPolarHBondContact CE2-CD2 3.47Å; F590-H599 AromaticContact CE2-CG 3.46Å; F590-H599 VanDerWaalsContact CE2-CG 3.46Å; F590-H599 AromaticContact CE2-NE2 3.9Å; F590-H599 HydrophobicContact CZ-CB 3.4Å; F590-H599 AromaticContact CZ-CD2 3.48Å; F590-H599 VanDerWaalsContact CZ-CD2 3.48Å; F590-H599 WeakPolarHBondContact CZ-CD2 3.09Å; F590-H599 AromaticContact CZ-CE1 3.96Å; F590-H599 AromaticContact CZ-CG 3.12Å; F590-H599 AromaticContact CZ-ND1 3.47Å; F590-H599 WeakPolarHBondContact CZ-ND1 3.29Å; F590-H599 AromaticContact CZ-NE2 3.94Å; K595-H599 VanDerWaalsContact O-CB 3.3Å; K595-H599 WeakPolarHBondContact O-CB 3.39Å; K595-H599 PolarHBondContact O-N 3.46Å; L596-H599 CarbonylContact O-C 3.39Å; L596-H599 WeakPolarHBondContact O-CA 3.46Å; L596-H599 WeakPolarHBondContact O-CB 3.48Å; L596-H599 PolarHBondContact O-N 3.07Å; H599-R601 PolarHBondContact O-N 3.39Å; H599-R601 VanDerWaalsContact O-N 3.07Å; H599-L602 WeakPolarHBondContact O-CB 3.4Å; H599-L602 WeakPolarHBondContact O-CG 3.19Å; H599-L602 PolarHBondContact O-N 2.83Å; H599-H603 AromaticContact CE1-NE2 3.83Å; H599-H603 AromaticContact NE2-CD2 3.93Å; H599-H603 AromaticContact NE2-NE2 3.37Å; H599-H603 PolarHBondContact NE2-NE2 3.47Å
600	H	84.3	Confident	84.8	Confident	83 Å²	83	67.6 Å²	67.6	38%	0.384	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-21.4	176.4	-161.1	-78.9	0	0	0	113.1	E585 L596 L602 H603 T604	E585-H600 IonicContact OE2-NE2 3.92Å; L596-H600 PolarHBondContact O-N 3.3Å; H600-L602 PolarHBondContact O-N 2.75Å; H600-H603 PolarHBondContact O-N 2.68Å; H600-T604 VanDerWaalsContact CE1-CG2 3.46Å; H600-T604 WeakPolarHBondContact CE1-CG2 3.19Å; H600-T604 WeakPolarHBondContact ND1-CG2 3.48Å; H600-T604 PolarHBondContact O-N 3.1Å; H600-T604 VanDerWaalsContact O-N 3.07Å; H600-T604 PolarHBondContact O-OG1 3.44Å
601	R	85.1	Confident	84.9	Confident	29 Å²	29	65.7 Å²	65.7	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-69.6	-12.5	171	-60	179.6	179.8	153.4	-0.4	113.7	V598 H599 T604 G605 D606 K619	V598-R601 VanDerWaalsContact O-CB 3.29Å; V598-R601 WeakPolarHBondContact O-CB 3.32Å; V598-R601 PolarHBondContact O-N 3.29Å; H599-R601 PolarHBondContact O-N 3.39Å; H599-R601 VanDerWaalsContact O-N 3.07Å; R601-T604 WeakPolarHBondContact CA-OG1 3.37Å; R601-G605 PolarHBondContact O-N 3.34Å; R601-D606 WeakPolarHBondContact CB-O 3.18Å; R601-D606 HydrophobicContact CG-CB 4.32Å; R601-K619 WeakPolarHBondContact CD-O 3.12Å; R601-K619 PolarHBondContact NH1-O 3.31Å; R601-K619 PolarHBondContact O-NZ 3.16Å
602	L	81.1	Confident	85	Confident	103 Å²	103	72.6 Å²	72.6	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-75.6	-38.5	171.2	-60.9	-177.7	0	0	0	111	H599 H600 K619	H599-L602 WeakPolarHBondContact O-CB 3.4Å; H599-L602 WeakPolarHBondContact O-CG 3.19Å; H599-L602 PolarHBondContact O-N 2.83Å; H600-L602 PolarHBondContact O-N 2.75Å; L602-K619 HydrophobicContact CD2-CD 4.11Å
603	H	83.8	Confident	84.9	Confident	76 Å²	76	77 Å²	77	35%	0.352	40%	0.4	S	S	.	.	H	α-helix	trans	-78	-49.1	178.6	-64.2	-62.9	0	0	0	112.5	C583 E585 C586 H599 H600 G605	C583-H603 PolarHBondContact SG-NE2 3.11Å; E585-H603 WeakPolarHBondContact OE2-CB 3.47Å; E585-H603 IonicContact OE2-CD2 2.94Å; E585-H603 PolarHBondContact OE2-CD2 3.16Å; E585-H603 IonicContact OE2-CG 2.9Å; E585-H603 IonicContact OE2-ND1 3.8Å; E585-H603 IonicContact OE2-NE2 3.98Å; C586-H603 PolarHBondContact SG-NE2 3.19Å; H599-H603 AromaticContact CE1-NE2 3.83Å; H599-H603 AromaticContact NE2-CD2 3.93Å; H599-H603 AromaticContact NE2-NE2 3.37Å; H599-H603 PolarHBondContact NE2-NE2 3.47Å; H600-H603 PolarHBondContact O-N 2.68Å; H603-G605 PolarHBondContact O-N 3.48Å
604	T	84	Confident	85	Confident	75 Å²	75	76.3 Å²	76.3	46%	0.46	40%	0.395	S	S	.	.	S	Bend	trans	-73.3	-11.7	-179.9	51.7	0	0	0	0	114.2	H600 R601 D606	H600-T604 VanDerWaalsContact CE1-CG2 3.46Å; H600-T604 WeakPolarHBondContact CE1-CG2 3.19Å; H600-T604 WeakPolarHBondContact ND1-CG2 3.48Å; H600-T604 PolarHBondContact O-N 3.1Å; H600-T604 VanDerWaalsContact O-N 3.07Å; H600-T604 PolarHBondContact O-OG1 3.44Å; R601-T604 WeakPolarHBondContact CA-OG1 3.37Å; T604-D606 PolarHBondContact O-N 3.08Å; T604-D606 WeakPolarHBondContact OG1-CB 3.39Å; T604-D606 PolarHBondContact OG1-N 3.3Å
605	G	79.9	Confident	85.1	Confident	40 Å²	40	73.7 Å²	73.7	41%	0.412	38%	0.382	S	S	.	.			trans	67	-0.6	-170.2	0	0	0	0	0	114.7	R601 H603 K607	R601-G605 PolarHBondContact O-N 3.34Å; H603-G605 PolarHBondContact O-N 3.48Å; G605-K607 PolarHBondContact O-N 2.97Å
606	D	83.5	Confident	85.1	Confident	76 Å²	76	75.2 Å²	75.2	41%	0.406	39%	0.388	S	S	.	.			trans	-57.8	123.4	-171.8	178	29	0	0	0	112.8	R601 T604 P608	R601-D606 WeakPolarHBondContact CB-O 3.18Å; R601-D606 HydrophobicContact CG-CB 4.32Å; T604-D606 PolarHBondContact O-N 3.08Å; T604-D606 WeakPolarHBondContact OG1-CB 3.39Å; T604-D606 PolarHBondContact OG1-N 3.3Å; D606-P608 WeakPolarHBondContact O-CD 3.32Å; D606-P608 WeakPolarHBondContact OD1-CD 3.34Å
607	K	85.3	Confident	85.2	Confident	109 Å²	109	75.7 Å²	75.7	47%	0.474	39%	0.394	S	S	.	.			trans	-124.4	73.5	179	-73.3	166.3	175.2	-174.6	0	108.7	G605 Y609 S617 F618 K619	G605-K607 PolarHBondContact O-N 2.97Å; K607-Y609 PolarHBondContact O-N 2.9Å; K607-Y609 VanDerWaalsContact O-N 3.09Å; K607-S617 WeakPolarHBondContact CD-O 3.26Å; K607-S617 WeakPolarHBondContact O-CB 3.26Å; K607-F618 CarbonylContact C-O 3.54Å; K607-F618 WeakPolarHBondContact CA-O 3.46Å; K607-K619 HydrophobicContact CG-CG 3.65Å
608	P	82.9	Confident	85.2	Confident	62 Å²	62	70.6 Å²	70.6	40%	0.403	37%	0.372	S	S	.	.			trans	-71.9	-10.8	-167.8	26.9	-33.3	0	0	0	113.8	D606	D606-P608 WeakPolarHBondContact O-CD 3.32Å; D606-P608 WeakPolarHBondContact OD1-CD 3.34Å
609	Y	87.8	Confident	85.1	Confident	73 Å²	73	71.1 Å²	71.1	29%	0.286	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	90.1	-179.7	-53.4	-73.5	0	0	0	109.7	K607 S617 F618 H620 L621 I624	K607-Y609 PolarHBondContact O-N 2.9Å; K607-Y609 VanDerWaalsContact O-N 3.09Å; Y609-S617 CarbonylContact O-C 3.53Å; Y609-S617 WeakPolarHBondContact O-CA 2.87Å; Y609-F618 WeakPolarHBondContact CD2-O 3.43Å; Y609-F618 PolarHBondContact N-O 3.28Å; Y609-F618 PolarHBondContact O-N 3.38Å; Y609-H620 VanDerWaalsContact CD2-C 3.44Å; Y609-L621 HydrophobicContact CD1-CB 4.33Å; Y609-L621 HydrophobicContact CD1-CD1 3.9Å; Y609-L621 HydrophobicContact CE1-CB 3.97Å; Y609-L621 HydrophobicContact CE1-CD1 3.97Å; Y609-L621 HydrophobicContact CE1-CG 4.47Å; Y609-L621 HydrophobicContact CE2-CB 4.29Å; Y609-I624 HydrophobicContact CG-CG2 4.4Å
610	K	86.4	Confident	85	Confident	129 Å²	129	74.3 Å²	74.3	56%	0.561	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.8	176	-173.5	175.8	179.4	-176.1	0	110.4	I624	K610-I624 VanDerWaalsContact O-CD1 3.32Å; K610-I624 WeakPolarHBondContact O-CD1 3.48Å
611	C	88.7	Confident	85	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.389	C	S	.	.			trans	-72.7	123.5	166.5	-178.4	0	0	0	0	108.7	E613 G615 K616 F618 I624 H627 H631	C611-E613 VanDerWaalsContact C-N 3.28Å; C611-E613 PolarHBondContact O-N 3.49Å; C611-E613 PolarHBondContact SG-N 3.27Å; C611-G615 WeakPolarHBondContact O-CA 3.5Å; C611-G615 PolarHBondContact O-N 3.16Å; C611-K616 WeakPolarHBondContact CB-O 3.35Å; C611-K616 PolarHBondContact N-O 3.49Å; C611-F618 HydrophobicContact CB-CE2 4.38Å; C611-I624 HydrophobicContact CB-CD1 4.5Å; C611-H627 WeakPolarHBondContact CB-NE2 3.36Å; C611-H627 PolarHBondContact SG-NE2 3.41Å; C611-H631 PolarHBondContact SG-NE2 2.99Å
612	N	87.2	Confident	84.9	Confident	151 Å²	151	76.4 Å²	76.4	81%	0.807	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.5	179	-67	-8.3	0	0	0	112.4
613	E	84.4	Confident	85.2	Confident	117 Å²	117	73.7 Å²	73.7	55%	0.547	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-35.7	-175.4	-64.5	166.9	141.7	0	0	113	C611 H628 H631	C611-E613 VanDerWaalsContact C-N 3.28Å; C611-E613 PolarHBondContact O-N 3.49Å; C611-E613 PolarHBondContact SG-N 3.27Å; E613-H628 IonicContact OE2-CE1 3.05Å; E613-H628 IonicContact OE2-ND1 3.31Å; E613-H628 PolarHBondContact OE2-ND1 3.26Å; E613-H631 WeakPolarHBondContact OE2-CB 2.89Å; E613-H631 IonicContact OE2-CD2 2.98Å; E613-H631 PolarHBondContact OE2-CD2 3.16Å; E613-H631 IonicContact OE2-CG 3.09Å; E613-H631 IonicContact OE2-NE2 3.04Å
614	C	89.1	Confident	85.3	Confident	51 Å²	51	70.7 Å²	70.7	35%	0.345	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	6	179.3	69.5	0	0	0	0	115.2	K616 H627 H631	C614-K616 PolarHBondContact O-N 3.07Å; C614-K616 VanDerWaalsContact SG-CG 3.58Å; C614-H627 PolarHBondContact SG-CE1 3.44Å; C614-H627 PolarHBondContact SG-NE2 3.38Å; C614-H631 PolarHBondContact SG-NE2 3.43Å; C614-H631 VanDerWaalsContact SG-NE2 3.36Å
615	G	85	Confident	85.4	Confident	32 Å²	32	73.1 Å²	73.1	33%	0.33	39%	0.387	S	S	.	.			trans	71.2	-8.6	179.5	0	0	0	0	0	115.7	C611 S617	C611-G615 WeakPolarHBondContact O-CA 3.5Å; C611-G615 PolarHBondContact O-N 3.16Å; G615-S617 PolarHBondContact O-N 2.92Å; G615-S617 PolarHBondContact O-OG 3.08Å
616	K	87.8	Confident	85.7	Confident	130 Å²	130	73.3 Å²	73.3	57%	0.565	38%	0.378	S	S	*	.			trans	-60.3	128.5	179.4	-70.6	179.8	-176.6	175.5	0	110.3	C611 C614 F618	C611-K616 WeakPolarHBondContact CB-O 3.35Å; C611-K616 PolarHBondContact N-O 3.49Å; C614-K616 PolarHBondContact O-N 3.07Å; C614-K616 VanDerWaalsContact SG-CG 3.58Å; K616-F618 HydrophobicContact CB-CE2 3.78Å; K616-F618 HydrophobicContact CB-CZ 3.95Å; K616-F618 WeakPolarHBondContact O-CD2 3.25Å; K616-F618 WeakPolarHBondContact O-CE2 3.36Å
617	S	87.2	Confident	85.9	Confident	44 Å²	44	70.7 Å²	70.7	31%	0.308	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.9	-177.6	-62.2	0	0	0	0	110.9	K607 Y609 G615	K607-S617 WeakPolarHBondContact CD-O 3.26Å; K607-S617 WeakPolarHBondContact O-CB 3.26Å; Y609-S617 CarbonylContact O-C 3.53Å; Y609-S617 WeakPolarHBondContact O-CA 2.87Å; G615-S617 PolarHBondContact O-N 2.92Å; G615-S617 PolarHBondContact O-OG 3.08Å
618	F	85.5	Confident	85.9	Confident	42 Å²	42	68.6 Å²	68.6	18%	0.184	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.9	-173.5	-61.6	-90.1	0	0	0	111.3	K607 Y609 C611 K616 H620 I624 H627	K607-F618 CarbonylContact C-O 3.54Å; K607-F618 WeakPolarHBondContact CA-O 3.46Å; Y609-F618 WeakPolarHBondContact CD2-O 3.43Å; Y609-F618 PolarHBondContact N-O 3.28Å; Y609-F618 PolarHBondContact O-N 3.38Å; C611-F618 HydrophobicContact CB-CE2 4.38Å; K616-F618 HydrophobicContact CB-CE2 3.78Å; K616-F618 HydrophobicContact CB-CZ 3.95Å; K616-F618 WeakPolarHBondContact O-CD2 3.25Å; K616-F618 WeakPolarHBondContact O-CE2 3.36Å; F618-H620 VanDerWaalsContact C-N 3.34Å; F618-I624 HydrophobicContact CB-CB 4.25Å; F618-I624 HydrophobicContact CD2-CB 3.84Å; F618-I624 HydrophobicContact CD2-CG1 3.95Å; F618-I624 HydrophobicContact CE2-CG1 4.4Å; F618-I624 HydrophobicContact CG-CB 4.2Å; F618-H627 HydrophobicContact CE1-CB 3.96Å; F618-H627 HydrophobicContact CE2-CB 3.8Å; F618-H627 AromaticContact CE2-CD2 3.28Å; F618-H627 WeakPolarHBondContact CE2-CD2 3.48Å; F618-H627 AromaticContact CE2-CG 3.47Å; F618-H627 VanDerWaalsContact CE2-CG 3.47Å; F618-H627 AromaticContact CE2-NE2 3.87Å; F618-H627 HydrophobicContact CZ-CB 3.43Å; F618-H627 VanDerWaalsContact CZ-CB 3.43Å; F618-H627 AromaticContact CZ-CD2 3.51Å; F618-H627 AromaticContact CZ-CG 3.18Å; F618-H627 AromaticContact CZ-ND1 3.59Å
619	K	82.4	Confident	86.2	Confident	55 Å²	55	68.3 Å²	68.3	24%	0.239	35%	0.346	C	S	.	.	S	Bend	trans	-76.5	-20.2	177.3	-60.7	-170.7	179.9	-168.2	0	113.1	R601 L602 K607	R601-K619 WeakPolarHBondContact CD-O 3.12Å; R601-K619 PolarHBondContact NH1-O 3.31Å; R601-K619 PolarHBondContact O-NZ 3.16Å; L602-K619 HydrophobicContact CD2-CD 4.11Å; K607-K619 HydrophobicContact CG-CG 3.65Å
620	H	83.9	Confident	86.1	Confident	84 Å²	84	71.6 Å²	71.6	39%	0.389	36%	0.359	S	S	.	.	S	Bend	trans	-130.8	143.2	-176.2	-62	-105.6	0	0	0	112.1	V598 Y609 F618 S622 S623 I624	V598-H620 WeakPolarHBondContact CG1-CE1 3.48Å; Y609-H620 VanDerWaalsContact CD2-C 3.44Å; F618-H620 VanDerWaalsContact C-N 3.34Å; H620-S622 PolarHBondContact O-N 2.97Å; H620-S623 WeakPolarHBondContact O-CB 3.28Å; H620-S623 PolarHBondContact O-N 3.36Å; H620-S623 VanDerWaalsContact O-N 3.11Å; H620-I624 PolarHBondContact O-N 3.34Å
621	L	84	Confident	86.1	Confident	85 Å²	85	69.1 Å²	69.1	45%	0.445	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-30.7	174.8	-175.7	62.9	0	0	0	112.6	Y609 I624 K625	Y609-L621 HydrophobicContact CD1-CB 4.33Å; Y609-L621 HydrophobicContact CD1-CD1 3.9Å; Y609-L621 HydrophobicContact CE1-CB 3.97Å; Y609-L621 HydrophobicContact CE1-CD1 3.97Å; Y609-L621 HydrophobicContact CE1-CG 4.47Å; Y609-L621 HydrophobicContact CE2-CB 4.29Å; L621-I624 HydrophobicContact CD1-CG2 3.9Å; L621-I624 WeakPolarHBondContact O-CG2 3.22Å; L621-K625 WeakPolarHBondContact O-CB 3.16Å; L621-K625 VanDerWaalsContact O-CG 3.31Å; L621-K625 WeakPolarHBondContact O-CG 3.47Å; L621-K625 PolarHBondContact O-N 3.35Å; L621-K625 VanDerWaalsContact O-N 3.15Å
622	S	82.9	Confident	86	Confident	71 Å²	71	73.8 Å²	73.8	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-67.7	-37.7	174.6	49	0	0	0	0	112.1	H620 K625 I626	H620-S622 PolarHBondContact O-N 2.97Å; S622-K625 PolarHBondContact O-N 3.11Å; S622-I626 WeakPolarHBondContact O-CG1 3.47Å; S622-I626 PolarHBondContact O-N 3.42Å
623	S	86.9	Confident	85.9	Confident	46 Å²	46	68.8 Å²	68.8	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-44.8	179.2	-56.6	0	0	0	0	111.6	H620 K625 I626 H627	H620-S623 WeakPolarHBondContact O-CB 3.28Å; H620-S623 PolarHBondContact O-N 3.36Å; H620-S623 VanDerWaalsContact O-N 3.11Å; S623-K625 VanDerWaalsContact C-N 3.35Å; S623-K625 PolarHBondContact O-N 3.36Å; S623-I626 PolarHBondContact O-N 3.46Å; S623-H627 VanDerWaalsContact O-CB 3.26Å; S623-H627 WeakPolarHBondContact O-CB 3.49Å; S623-H627 PolarHBondContact O-N 3.41Å
624	I	86.5	Confident	86	Confident	13 Å²	13	70 Å²	70	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-37.9	175.6	-167	176.9	0	0	0	111.7	Y609 K610 C611 F618 H620 L621 I626 H627 H628	Y609-I624 HydrophobicContact CG-CG2 4.4Å; K610-I624 VanDerWaalsContact O-CD1 3.32Å; K610-I624 WeakPolarHBondContact O-CD1 3.48Å; C611-I624 HydrophobicContact CB-CD1 4.5Å; F618-I624 HydrophobicContact CB-CB 4.25Å; F618-I624 HydrophobicContact CD2-CB 3.84Å; F618-I624 HydrophobicContact CD2-CG1 3.95Å; F618-I624 HydrophobicContact CE2-CG1 4.4Å; F618-I624 HydrophobicContact CG-CB 4.2Å; H620-I624 PolarHBondContact O-N 3.34Å; L621-I624 HydrophobicContact CD1-CG2 3.9Å; L621-I624 WeakPolarHBondContact O-CG2 3.22Å; I624-I626 PolarHBondContact O-N 3.07Å; I624-H627 CarbonylContact O-C 3.49Å; I624-H627 WeakPolarHBondContact O-CB 3.24Å; I624-H627 PolarHBondContact O-N 2.93Å; I624-H627 VanDerWaalsContact O-N 3.15Å; I624-H628 PolarHBondContact O-CD2 3.14Å; I624-H628 VanDerWaalsContact O-CD2 3.23Å; I624-H628 PolarHBondContact O-N 3.14Å
625	K	86	Confident	86	Confident	125 Å²	125	73.2 Å²	73.2	54%	0.543	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-41.2	176	-79.2	-178.3	178.6	-170	0	112.8	L621 S622 S623 H627	L621-K625 WeakPolarHBondContact O-CB 3.16Å; L621-K625 VanDerWaalsContact O-CG 3.31Å; L621-K625 WeakPolarHBondContact O-CG 3.47Å; L621-K625 PolarHBondContact O-N 3.35Å; L621-K625 VanDerWaalsContact O-N 3.15Å; S622-K625 PolarHBondContact O-N 3.11Å; S623-K625 VanDerWaalsContact C-N 3.35Å; S623-K625 PolarHBondContact O-N 3.36Å; K625-H627 VanDerWaalsContact C-N 3.34Å
626	I	86.3	Confident	86	Confident	44 Å²	44	73.9 Å²	73.9	23%	0.226	37%	0.37	C	S	.	.	H	α-helix	trans	-70.2	-37	174.5	-65.1	165.2	0	0	0	109.8	S622 S623 I624 R629 Y630 N648	S622-I626 WeakPolarHBondContact O-CG1 3.47Å; S622-I626 PolarHBondContact O-N 3.42Å; S623-I626 PolarHBondContact O-N 3.46Å; I624-I626 PolarHBondContact O-N 3.07Å; I626-R629 VanDerWaalsContact O-CB 3.31Å; I626-R629 WeakPolarHBondContact O-CB 3.42Å; I626-R629 PolarHBondContact O-N 3.4Å; I626-Y630 HydrophobicContact CG2-CE2 4.21Å; I626-Y630 WeakPolarHBondContact O-CD2 3.48Å; I626-N648 HydrophobicContact CG2-CB 4.15Å
627	H	87.2	Confident	86.1	Confident	22 Å²	22	71.3 Å²	71.3	10%	0.102	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-44.5	177	170	64.5	0	0	0	112.9	C611 C614 F618 S623 I624 K625 R629 Y630 H631	C611-H627 WeakPolarHBondContact CB-NE2 3.36Å; C611-H627 PolarHBondContact SG-NE2 3.41Å; C614-H627 PolarHBondContact SG-CE1 3.44Å; C614-H627 PolarHBondContact SG-NE2 3.38Å; F618-H627 HydrophobicContact CE1-CB 3.96Å; F618-H627 HydrophobicContact CE2-CB 3.8Å; F618-H627 AromaticContact CE2-CD2 3.28Å; F618-H627 WeakPolarHBondContact CE2-CD2 3.48Å; F618-H627 AromaticContact CE2-CG 3.47Å; F618-H627 VanDerWaalsContact CE2-CG 3.47Å; F618-H627 AromaticContact CE2-NE2 3.87Å; F618-H627 HydrophobicContact CZ-CB 3.43Å; F618-H627 VanDerWaalsContact CZ-CB 3.43Å; F618-H627 AromaticContact CZ-CD2 3.51Å; F618-H627 AromaticContact CZ-CG 3.18Å; F618-H627 AromaticContact CZ-ND1 3.59Å; S623-H627 VanDerWaalsContact O-CB 3.26Å; S623-H627 WeakPolarHBondContact O-CB 3.49Å; S623-H627 PolarHBondContact O-N 3.41Å; I624-H627 CarbonylContact O-C 3.49Å; I624-H627 WeakPolarHBondContact O-CB 3.24Å; I624-H627 PolarHBondContact O-N 2.93Å; I624-H627 VanDerWaalsContact O-N 3.15Å; K625-H627 VanDerWaalsContact C-N 3.34Å; H627-R629 PolarHBondContact O-N 2.88Å; H627-R629 VanDerWaalsContact O-N 3.11Å; H627-Y630 WeakPolarHBondContact O-CB 3.43Å; H627-Y630 PolarHBondContact O-N 2.91Å; H627-H631 AromaticContact CE1-NE2 3.47Å; H627-H631 PolarHBondContact CE1-NE2 2.84Å; H627-H631 AromaticContact NE2-CD2 3.73Å; H627-H631 AromaticContact NE2-NE2 3.22Å; H627-H631 PolarHBondContact NE2-NE2 3.37Å
628	H	87	Confident	86.1	Confident	65 Å²	65	75.3 Å²	75.3	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-57.5	-27.4	175.3	-80.9	-62.7	0	0	0	113	E613 I624 Y630 H631 T632	E613-H628 IonicContact OE2-CE1 3.05Å; E613-H628 IonicContact OE2-ND1 3.31Å; E613-H628 PolarHBondContact OE2-ND1 3.26Å; I624-H628 PolarHBondContact O-CD2 3.14Å; I624-H628 VanDerWaalsContact O-CD2 3.23Å; I624-H628 PolarHBondContact O-N 3.14Å; H628-Y630 PolarHBondContact O-N 3.35Å; H628-H631 WeakPolarHBondContact O-CB 3.45Å; H628-H631 PolarHBondContact O-N 3.41Å; H628-H631 VanDerWaalsContact O-N 3.08Å; H628-T632 PolarHBondContact O-N 2.78Å; H628-T632 PolarHBondContact O-OG1 3.06Å
629	R	89	Confident	86.3	Confident	55 Å²	55	73.3 Å²	73.3	21%	0.208	36%	0.36	C	S	.	.	H	α-helix	trans	-65.8	-19.7	174.5	-65.9	176.4	-175.2	173.4	-4.1	113.7	I626 H627 G633 Y634 T647	I626-R629 VanDerWaalsContact O-CB 3.31Å; I626-R629 WeakPolarHBondContact O-CB 3.42Å; I626-R629 PolarHBondContact O-N 3.4Å; H627-R629 PolarHBondContact O-N 2.88Å; H627-R629 VanDerWaalsContact O-N 3.11Å; R629-G633 CarbonylContact O-C 3.59Å; R629-G633 WeakPolarHBondContact O-CA 3.33Å; R629-G633 PolarHBondContact O-N 3.38Å; R629-Y634 WeakPolarHBondContact CB-O 3.49Å; R629-Y634 HydrophobicContact CG-CD1 4.32Å; R629-Y634 PolarHBondContact O-N 3.31Å; R629-Y634 VanDerWaalsContact O-N 3.14Å; R629-T647 HydrophobicContact CB-CG2 4.13Å; R629-T647 VanDerWaalsContact CD-O 3.3Å; R629-T647 WeakPolarHBondContact CD-O 3.16Å; R629-T647 PolarHBondContact NH1-O 3.3Å
630	Y	84.6	Confident	86.5	Confident	143 Å²	143	77.9 Å²	77.9	56%	0.561	39%	0.387	S	S	*	.	H	α-helix	trans	-77.6	-31	172	-68.2	-89.3	0	0	0	111.9	I626 H627 H628 T647	I626-Y630 HydrophobicContact CG2-CE2 4.21Å; I626-Y630 WeakPolarHBondContact O-CD2 3.48Å; H627-Y630 WeakPolarHBondContact O-CB 3.43Å; H627-Y630 PolarHBondContact O-N 2.91Å; H628-Y630 PolarHBondContact O-N 3.35Å; Y630-T647 HydrophobicContact CD1-CG2 4.48Å; Y630-T647 HydrophobicContact CE1-CG2 4.32Å; Y630-T647 PolarHBondContact OH-OG1 2.71Å
631	H	86.5	Confident	86.6	Confident	76 Å²	76	79.3 Å²	79.3	35%	0.352	39%	0.394	S	S	.	.	H	α-helix	trans	-71.3	-43.5	172.7	-70.4	-61.4	0	0	0	111.5	C611 E613 C614 H627 H628 G633	C611-H631 PolarHBondContact SG-NE2 2.99Å; E613-H631 WeakPolarHBondContact OE2-CB 2.89Å; E613-H631 IonicContact OE2-CD2 2.98Å; E613-H631 PolarHBondContact OE2-CD2 3.16Å; E613-H631 IonicContact OE2-CG 3.09Å; E613-H631 IonicContact OE2-NE2 3.04Å; C614-H631 PolarHBondContact SG-NE2 3.43Å; C614-H631 VanDerWaalsContact SG-NE2 3.36Å; H627-H631 AromaticContact CE1-NE2 3.47Å; H627-H631 PolarHBondContact CE1-NE2 2.84Å; H627-H631 AromaticContact NE2-CD2 3.73Å; H627-H631 AromaticContact NE2-NE2 3.22Å; H627-H631 PolarHBondContact NE2-NE2 3.37Å; H628-H631 WeakPolarHBondContact O-CB 3.45Å; H628-H631 PolarHBondContact O-N 3.41Å; H628-H631 VanDerWaalsContact O-N 3.08Å; H631-G633 VanDerWaalsContact C-N 3.31Å; H631-G633 PolarHBondContact O-N 3.22Å
632	T	86.4	Confident	86.9	Confident	98 Å²	98	77.9 Å²	77.9	60%	0.601	39%	0.391	S	S	*	.	S	Bend	trans	-82.1	-7.7	-180	64.1	0	0	0	0	114.1	H628 Y634	H628-T632 PolarHBondContact O-N 2.78Å; H628-T632 PolarHBondContact O-OG1 3.06Å; T632-Y634 PolarHBondContact O-N 3.4Å; T632-Y634 WeakPolarHBondContact OG1-CB 3.31Å; T632-Y634 PolarHBondContact OG1-N 2.78Å
633	G	84.7	Confident	87	Confident	47 Å²	47	76 Å²	76	49%	0.485	38%	0.383	S	S	.	.			trans	64.3	3.1	-169.6	0	0	0	0	0	114.7	R629 H631 K635	R629-G633 CarbonylContact O-C 3.59Å; R629-G633 WeakPolarHBondContact O-CA 3.33Å; R629-G633 PolarHBondContact O-N 3.38Å; H631-G633 VanDerWaalsContact C-N 3.31Å; H631-G633 PolarHBondContact O-N 3.22Å; G633-K635 PolarHBondContact O-N 3.28Å; G633-K635 VanDerWaalsContact O-N 3.16Å
634	Y	87.6	Confident	87.2	Confident	143 Å²	143	80 Å²	80	56%	0.561	39%	0.394	S	S	*	.			trans	-68.9	111.6	-171.9	-177.7	-122.4	0	0	0	112.3	R629 T632 P636	R629-Y634 WeakPolarHBondContact CB-O 3.49Å; R629-Y634 HydrophobicContact CG-CD1 4.32Å; R629-Y634 PolarHBondContact O-N 3.31Å; R629-Y634 VanDerWaalsContact O-N 3.14Å; T632-Y634 PolarHBondContact O-N 3.4Å; T632-Y634 WeakPolarHBondContact OG1-CB 3.31Å; T632-Y634 PolarHBondContact OG1-N 2.78Å; Y634-P636 HydrophobicContact CD1-CB 4.48Å; Y634-P636 HydrophobicContact CD1-CG 4.22Å; Y634-P636 HydrophobicContact CE1-CB 3.76Å; Y634-P636 HydrophobicContact CE1-CG 3.86Å; Y634-P636 HydrophobicContact CE2-CB 4.46Å; Y634-P636 WeakPolarHBondContact O-CD 3.45Å
635	K	88.4	Confident	87.3	Confident	117 Å²	117	81.5 Å²	81.5	51%	0.509	41%	0.406	S	S	.	.			trans	-113.8	80.9	-177.9	-73.1	165.4	172.3	-175.6	0	110.8	G633 Y637 S645 F646 T647	G633-K635 PolarHBondContact O-N 3.28Å; G633-K635 VanDerWaalsContact O-N 3.16Å; K635-Y637 VanDerWaalsContact C-N 3.25Å; K635-Y637 PolarHBondContact O-N 3.24Å; K635-S645 WeakPolarHBondContact CD-O 3.45Å; K635-F646 CarbonylContact C-O 3.49Å; K635-F646 WeakPolarHBondContact CA-O 3.49Å; K635-T647 HydrophobicContact CG-CG2 3.65Å
636	P	85.4	Confident	87.5	Confident	47 Å²	47	77.5 Å²	77.5	31%	0.305	39%	0.389	S	S	.	.			trans	-71.6	-13.6	-172.4	26.5	-34	0	0	0	114.8	Y634	Y634-P636 HydrophobicContact CD1-CB 4.48Å; Y634-P636 HydrophobicContact CD1-CG 4.22Å; Y634-P636 HydrophobicContact CE1-CB 3.76Å; Y634-P636 HydrophobicContact CE1-CG 3.86Å; Y634-P636 HydrophobicContact CE2-CB 4.46Å; Y634-P636 WeakPolarHBondContact O-CD 3.45Å
637	Y	89.3	Confident	87.5	Confident	75 Å²	75	75.7 Å²	75.7	29%	0.294	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	90.3	-174.6	-55.9	-70.8	0	0	0	110.2	K635 S645 F646 C649	K635-Y637 VanDerWaalsContact C-N 3.25Å; K635-Y637 PolarHBondContact O-N 3.24Å; Y637-S645 CarbonylContact O-C 3.59Å; Y637-S645 WeakPolarHBondContact O-CA 3.48Å; Y637-F646 WeakPolarHBondContact CD2-O 3.3Å; Y637-F646 PolarHBondContact N-O 2.74Å; Y637-F646 VanDerWaalsContact N-O 3.16Å; Y637-F646 PolarHBondContact O-N 3.24Å; Y637-C649 HydrophobicContact CD1-CB 3.84Å; Y637-C649 HydrophobicContact CD2-CB 4.24Å; Y637-C649 HydrophobicContact CE1-CB 3.67Å; Y637-C649 HydrophobicContact CE2-CB 4.04Å; Y637-C649 HydrophobicContact CG-CB 4.13Å
638	K	87.4	Confident	87.6	Confident	128 Å²	128	76.2 Å²	76.2	56%	0.557	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.7	177.4	-172.7	172.6	-179.8	-175.2	0	110.6
639	C	89.9	Confident	87.6	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.384	C	S	.	.			trans	-72.4	126.3	166	178.6	0	0	0	0	108.7	E641 G643 K644 L652	C639-E641 VanDerWaalsContact C-N 3.31Å; C639-E641 PolarHBondContact SG-N 2.8Å; C639-E641 VanDerWaalsContact SG-N 3.44Å; C639-G643 WeakPolarHBondContact O-CA 3.37Å; C639-G643 PolarHBondContact O-N 3.03Å; C639-K644 WeakPolarHBondContact CB-O 3.47Å; C639-K644 PolarHBondContact N-O 3.28Å; C639-L652 HydrophobicContact CB-CD1 3.58Å
640	N	87.3	Confident	87.4	Confident	152 Å²	152	75.8 Å²	75.8	81%	0.813	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.6	179	-67.1	-9.1	0	0	0	112.6
641	E	84.5	Confident	87.5	Confident	113 Å²	113	72.2 Å²	72.2	53%	0.528	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-40.3	-175.6	-65.5	163.9	139	0	0	112.5	C639 H656 H659	C639-E641 VanDerWaalsContact C-N 3.31Å; C639-E641 PolarHBondContact SG-N 2.8Å; C639-E641 VanDerWaalsContact SG-N 3.44Å; E641-H656 IonicContact OE2-CE1 3.92Å; E641-H656 IonicContact OE2-ND1 3.98Å; E641-H656 PolarHBondContact OE2-ND1 3.4Å; E641-H656 VanDerWaalsContact OE2-ND1 3.09Å; E641-H659 WeakPolarHBondContact OE2-CB 3.41Å; E641-H659 IonicContact OE2-CD2 3.86Å; E641-H659 PolarHBondContact OE2-CD2 2.93Å; E641-H659 IonicContact OE2-CG 3.19Å; E641-H659 IonicContact OE2-NE2 3.91Å
642	C	90.2	Very high	87.6	Confident	55 Å²	55	69.7 Å²	69.7	37%	0.372	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	3	179.7	71.9	0	0	0	0	115.1	K644 H655 H659	C642-K644 PolarHBondContact O-N 2.81Å; C642-K644 VanDerWaalsContact O-N 3.07Å; C642-K644 VanDerWaalsContact SG-CG 3.59Å; C642-H655 VanDerWaalsContact SG-CE1 3.52Å; C642-H655 PolarHBondContact SG-NE2 3.16Å; C642-H659 PolarHBondContact SG-NE2 3.49Å
643	G	86.8	Confident	87.6	Confident	32 Å²	32	72 Å²	72	33%	0.33	38%	0.376	S	S	.	.			trans	73.4	-6.9	178.9	0	0	0	0	0	115.9	C639 S645	C639-G643 WeakPolarHBondContact O-CA 3.37Å; C639-G643 PolarHBondContact O-N 3.03Å; G643-S645 PolarHBondContact O-N 3.41Å; G643-S645 PolarHBondContact O-OG 3Å
644	K	89.9	Confident	87.7	Confident	131 Å²	131	71.6 Å²	71.6	57%	0.57	37%	0.365	S	S	*	.			trans	-60.9	131.9	179.1	-72.2	179.6	-178.1	175.7	0	110.9	C639 C642 F646	C639-K644 WeakPolarHBondContact CB-O 3.47Å; C639-K644 PolarHBondContact N-O 3.28Å; C642-K644 PolarHBondContact O-N 2.81Å; C642-K644 VanDerWaalsContact O-N 3.07Å; C642-K644 VanDerWaalsContact SG-CG 3.59Å; K644-F646 HydrophobicContact CB-CE2 3.89Å; K644-F646 HydrophobicContact CB-CZ 3.99Å; K644-F646 WeakPolarHBondContact O-CE2 3.45Å
645	S	89.4	Confident	87.7	Confident	44 Å²	44	65.6 Å²	65.6	31%	0.308	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.7	-177.2	-61.6	0	0	0	0	111.8	K635 Y637 G643	K635-S645 WeakPolarHBondContact CD-O 3.45Å; Y637-S645 CarbonylContact O-C 3.59Å; Y637-S645 WeakPolarHBondContact O-CA 3.48Å; G643-S645 PolarHBondContact O-N 3.41Å; G643-S645 PolarHBondContact O-OG 3Å
646	F	89.1	Confident	87.6	Confident	41 Å²	41	62.9 Å²	62.9	18%	0.18	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.8	-174.7	-57.7	-90.7	0	0	0	111.2	K635 Y637 K644 N648 N651 L652 H655	K635-F646 CarbonylContact C-O 3.49Å; K635-F646 WeakPolarHBondContact CA-O 3.49Å; Y637-F646 WeakPolarHBondContact CD2-O 3.3Å; Y637-F646 PolarHBondContact N-O 2.74Å; Y637-F646 VanDerWaalsContact N-O 3.16Å; Y637-F646 PolarHBondContact O-N 3.24Å; K644-F646 HydrophobicContact CB-CE2 3.89Å; K644-F646 HydrophobicContact CB-CZ 3.99Å; K644-F646 WeakPolarHBondContact O-CE2 3.45Å; F646-N648 VanDerWaalsContact C-N 3.29Å; F646-N651 HydrophobicContact CB-CB 4.09Å; F646-N651 HydrophobicContact CD1-CB 3.78Å; F646-N651 HydrophobicContact CG-CB 4.17Å; F646-L652 HydrophobicContact CB-CB 4.37Å; F646-L652 HydrophobicContact CD2-CB 3.83Å; F646-L652 HydrophobicContact CD2-CD1 3.69Å; F646-L652 HydrophobicContact CD2-CG 4.36Å; F646-L652 HydrophobicContact CE2-CD1 3.78Å; F646-L652 HydrophobicContact CG-CB 4.28Å; F646-H655 HydrophobicContact CE1-CB 4.05Å; F646-H655 HydrophobicContact CE2-CB 3.86Å; F646-H655 AromaticContact CE2-CD2 3.46Å; F646-H655 VanDerWaalsContact CE2-CD2 3.46Å; F646-H655 WeakPolarHBondContact CE2-CD2 3.33Å; F646-H655 AromaticContact CE2-CG 3.62Å; F646-H655 HydrophobicContact CZ-CB 3.45Å; F646-H655 VanDerWaalsContact CZ-CB 3.45Å; F646-H655 AromaticContact CZ-CD2 3.58Å; F646-H655 AromaticContact CZ-CG 3.25Å; F646-H655 AromaticContact CZ-ND1 3.7Å
647	T	87.7	Confident	87.8	Confident	6 Å²	6	63 Å²	63	4%	0.037	33%	0.325	C	S	.	.	S	Bend	trans	-73.1	-23.3	176.6	53.1	0	0	0	0	112.5	R629 Y630 K635	R629-T647 HydrophobicContact CB-CG2 4.13Å; R629-T647 VanDerWaalsContact CD-O 3.3Å; R629-T647 WeakPolarHBondContact CD-O 3.16Å; R629-T647 PolarHBondContact NH1-O 3.3Å; Y630-T647 HydrophobicContact CD1-CG2 4.48Å; Y630-T647 HydrophobicContact CE1-CG2 4.32Å; Y630-T647 PolarHBondContact OH-OG1 2.71Å; K635-T647 HydrophobicContact CG-CG2 3.65Å
648	N	87.7	Confident	87.5	Confident	32 Å²	32	65 Å²	65	17%	0.171	34%	0.34	C	S	.	.	S	Bend	trans	-131	139.6	-176	-175.7	17.6	0	0	0	111.6	I626 F646 S650 N651 L652	I626-N648 HydrophobicContact CG2-CB 4.15Å; F646-N648 VanDerWaalsContact C-N 3.29Å; N648-S650 VanDerWaalsContact C-N 3.27Å; N648-S650 PolarHBondContact O-N 3.4Å; N648-S650 PolarHBondContact OD1-N 3.23Å; N648-N651 PolarHBondContact O-N 3.44Å; N648-L652 PolarHBondContact O-N 3.27Å
649	C	86.9	Confident	87.5	Confident	49 Å²	49	62.7 Å²	62.7	33%	0.331	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-30.3	-179.7	64.1	0	0	0	0	112.3	Y637 N651 L652 K653	Y637-C649 HydrophobicContact CD1-CB 3.84Å; Y637-C649 HydrophobicContact CD2-CB 4.24Å; Y637-C649 HydrophobicContact CE1-CB 3.67Å; Y637-C649 HydrophobicContact CE2-CB 4.04Å; Y637-C649 HydrophobicContact CG-CB 4.13Å; C649-N651 VanDerWaalsContact C-N 3.29Å; C649-N651 PolarHBondContact O-N 3.31Å; C649-L652 PolarHBondContact O-N 3.27Å; C649-K653 WeakPolarHBondContact O-CG 3.34Å; C649-K653 PolarHBondContact O-N 3.33Å
650	S	85	Confident	87.4	Confident	62 Å²	62	67.2 Å²	67.2	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-37.3	175.4	-53	0	0	0	0	112	N648 K653 V654	N648-S650 VanDerWaalsContact C-N 3.27Å; N648-S650 PolarHBondContact O-N 3.4Å; N648-S650 PolarHBondContact OD1-N 3.23Å; S650-K653 PolarHBondContact O-N 3.08Å; S650-V654 WeakPolarHBondContact O-CG2 3.36Å; S650-V654 PolarHBondContact O-N 3.21Å
651	N	87.9	Confident	87.2	Confident	68 Å²	68	62.2 Å²	62.2	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-68.8	-39.4	178.2	-64.7	10.8	0	0	0	110.6	F646 N648 C649 V654 H655	F646-N651 HydrophobicContact CB-CB 4.09Å; F646-N651 HydrophobicContact CD1-CB 3.78Å; F646-N651 HydrophobicContact CG-CB 4.17Å; N648-N651 PolarHBondContact O-N 3.44Å; C649-N651 VanDerWaalsContact C-N 3.29Å; C649-N651 PolarHBondContact O-N 3.31Å; N651-V654 PolarHBondContact O-N 3.11Å; N651-H655 VanDerWaalsContact O-CB 3.24Å; N651-H655 WeakPolarHBondContact O-CB 3.31Å; N651-H655 PolarHBondContact O-N 3.25Å
652	L	88.1	Confident	87.4	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.12	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-43.4	172.8	177	62.3	0	0	0	111.5	C639 F646 N648 C649 V654 H655 H656	C639-L652 HydrophobicContact CB-CD1 3.58Å; F646-L652 HydrophobicContact CB-CB 4.37Å; F646-L652 HydrophobicContact CD2-CB 3.83Å; F646-L652 HydrophobicContact CD2-CD1 3.69Å; F646-L652 HydrophobicContact CD2-CG 4.36Å; F646-L652 HydrophobicContact CE2-CD1 3.78Å; F646-L652 HydrophobicContact CG-CB 4.28Å; N648-L652 PolarHBondContact O-N 3.27Å; C649-L652 PolarHBondContact O-N 3.27Å; L652-V654 PolarHBondContact O-N 3.29Å; L652-H655 CarbonylContact O-C 3.54Å; L652-H655 WeakPolarHBondContact O-CB 3.4Å; L652-H655 PolarHBondContact O-N 3.42Å; L652-H655 VanDerWaalsContact O-N 3.16Å; L652-H656 WeakPolarHBondContact CD1-NE2 3.22Å; L652-H656 PolarHBondContact O-CD2 3.38Å; L652-H656 VanDerWaalsContact O-CD2 3.24Å; L652-H656 PolarHBondContact O-N 3.44Å
653	K	86.5	Confident	87.3	Confident	147 Å²	147	63.5 Å²	63.5	64%	0.639	35%	0.345	S	S	*	.	H	α-helix	trans	-60.6	-44.2	176.8	-75.5	-177.9	179.1	-172	0	112.8	C649 S650 H655 H656	C649-K653 WeakPolarHBondContact O-CG 3.34Å; C649-K653 PolarHBondContact O-N 3.33Å; S650-K653 PolarHBondContact O-N 3.08Å; K653-H655 VanDerWaalsContact C-N 3.28Å; K653-H656 PolarHBondContact O-N 3.22Å
654	V	86.5	Confident	87.3	Confident	39 Å²	39	65.1 Å²	65.1	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-38.2	175.4	169.8	0	0	0	0	110.6	S650 N651 L652 R657 Q676	S650-V654 WeakPolarHBondContact O-CG2 3.36Å; S650-V654 PolarHBondContact O-N 3.21Å; N651-V654 PolarHBondContact O-N 3.11Å; L652-V654 PolarHBondContact O-N 3.29Å; V654-R657 WeakPolarHBondContact O-CB 3.04Å; V654-R657 PolarHBondContact O-N 2.92Å; V654-Q676 VanDerWaalsContact CG1-CD 3.42Å; V654-Q676 HydrophobicContact CG1-CG 3.53Å
655	H	87.5	Confident	87.3	Confident	17 Å²	17	62.4 Å²	62.4	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-40.4	176.6	170.1	69.6	0	0	0	113	C642 F646 N651 L652 K653 R657 L658 H659	C642-H655 VanDerWaalsContact SG-CE1 3.52Å; C642-H655 PolarHBondContact SG-NE2 3.16Å; F646-H655 HydrophobicContact CE1-CB 4.05Å; F646-H655 HydrophobicContact CE2-CB 3.86Å; F646-H655 AromaticContact CE2-CD2 3.46Å; F646-H655 VanDerWaalsContact CE2-CD2 3.46Å; F646-H655 WeakPolarHBondContact CE2-CD2 3.33Å; F646-H655 AromaticContact CE2-CG 3.62Å; F646-H655 HydrophobicContact CZ-CB 3.45Å; F646-H655 VanDerWaalsContact CZ-CB 3.45Å; F646-H655 AromaticContact CZ-CD2 3.58Å; F646-H655 AromaticContact CZ-CG 3.25Å; F646-H655 AromaticContact CZ-ND1 3.7Å; N651-H655 VanDerWaalsContact O-CB 3.24Å; N651-H655 WeakPolarHBondContact O-CB 3.31Å; N651-H655 PolarHBondContact O-N 3.25Å; L652-H655 CarbonylContact O-C 3.54Å; L652-H655 WeakPolarHBondContact O-CB 3.4Å; L652-H655 PolarHBondContact O-N 3.42Å; L652-H655 VanDerWaalsContact O-N 3.16Å; K653-H655 VanDerWaalsContact C-N 3.28Å; H655-R657 PolarHBondContact O-N 3.31Å; H655-R657 VanDerWaalsContact O-N 3.11Å; H655-L658 VanDerWaalsContact O-CB 3.26Å; H655-L658 WeakPolarHBondContact O-CB 3.5Å; H655-L658 WeakPolarHBondContact O-CG 3.27Å; H655-L658 PolarHBondContact O-N 3.2Å; H655-H659 AromaticContact CE1-NE2 3.78Å; H655-H659 AromaticContact NE2-CD2 3.92Å; H655-H659 AromaticContact NE2-NE2 3.39Å; H655-H659 PolarHBondContact NE2-NE2 2.87Å
656	H	87.1	Confident	87.3	Confident	60 Å²	60	66.4 Å²	66.4	28%	0.278	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-26.1	176	-84.3	-66.2	0	0	0	113.4	E641 L652 K653 L658 H659 T660	E641-H656 IonicContact OE2-CE1 3.92Å; E641-H656 IonicContact OE2-ND1 3.98Å; E641-H656 PolarHBondContact OE2-ND1 3.4Å; E641-H656 VanDerWaalsContact OE2-ND1 3.09Å; L652-H656 WeakPolarHBondContact CD1-NE2 3.22Å; L652-H656 PolarHBondContact O-CD2 3.38Å; L652-H656 VanDerWaalsContact O-CD2 3.24Å; L652-H656 PolarHBondContact O-N 3.44Å; K653-H656 PolarHBondContact O-N 3.22Å; H656-L658 PolarHBondContact O-N 3.06Å; H656-H659 WeakPolarHBondContact O-CB 3.45Å; H656-H659 PolarHBondContact O-N 2.77Å; H656-T660 PolarHBondContact O-N 3.19Å; H656-T660 PolarHBondContact O-OG1 3.04Å
657	R	88.3	Confident	87.3	Confident	48 Å²	48	64.5 Å²	64.5	18%	0.181	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-21.7	173.9	-65	-178.9	-179.7	149.2	-0.5	113.6	V654 H655 H659 G661 D662 T675	V654-R657 WeakPolarHBondContact O-CB 3.04Å; V654-R657 PolarHBondContact O-N 2.92Å; H655-R657 PolarHBondContact O-N 3.31Å; H655-R657 VanDerWaalsContact O-N 3.11Å; R657-H659 VanDerWaalsContact C-N 3.32Å; R657-G661 CarbonylContact O-C 3.52Å; R657-G661 WeakPolarHBondContact O-CA 3.23Å; R657-G661 PolarHBondContact O-N 3.42Å; R657-D662 HydrophobicContact CB-CB 4.5Å; R657-D662 WeakPolarHBondContact CB-O 3.26Å; R657-D662 HydrophobicContact CG-CB 4.24Å; R657-D662 IonicContact NE-OD2 3.79Å; R657-D662 PolarHBondContact O-N 3.22Å; R657-T675 HydrophobicContact CB-CG2 4.37Å; R657-T675 VanDerWaalsContact CD-O 3.28Å; R657-T675 WeakPolarHBondContact CD-O 3.38Å; R657-T675 PolarHBondContact NH1-O 2.91Å
658	L	84.6	Confident	87.3	Confident	119 Å²	119	71.5 Å²	71.5	62%	0.623	38%	0.377	S	S	*	.	H	α-helix	trans	-72.4	-29	173.1	-59.4	175.4	0	0	0	111.8	H655 H656	H655-L658 VanDerWaalsContact O-CB 3.26Å; H655-L658 WeakPolarHBondContact O-CB 3.5Å; H655-L658 WeakPolarHBondContact O-CG 3.27Å; H655-L658 PolarHBondContact O-N 3.2Å; H656-L658 PolarHBondContact O-N 3.06Å
659	H	87.2	Confident	87.2	Confident	79 Å²	79	76 Å²	76	37%	0.366	40%	0.397	S	S	.	.	H	α-helix	trans	-83.1	-42.4	176	-66.7	-61.4	0	0	0	111.8	E641 C642 H655 H656 R657 G661	E641-H659 WeakPolarHBondContact OE2-CB 3.41Å; E641-H659 IonicContact OE2-CD2 3.86Å; E641-H659 PolarHBondContact OE2-CD2 2.93Å; E641-H659 IonicContact OE2-CG 3.19Å; E641-H659 IonicContact OE2-NE2 3.91Å; C642-H659 PolarHBondContact SG-NE2 3.49Å; H655-H659 AromaticContact CE1-NE2 3.78Å; H655-H659 AromaticContact NE2-CD2 3.92Å; H655-H659 AromaticContact NE2-NE2 3.39Å; H655-H659 PolarHBondContact NE2-NE2 2.87Å; H656-H659 WeakPolarHBondContact O-CB 3.45Å; H656-H659 PolarHBondContact O-N 2.77Å; R657-H659 VanDerWaalsContact C-N 3.32Å; H659-G661 VanDerWaalsContact C-N 3.32Å; H659-G661 PolarHBondContact O-N 3.22Å
660	T	86.5	Confident	87.3	Confident	94 Å²	94	76.3 Å²	76.3	58%	0.577	40%	0.399	S	S	*	.	H	α-helix	trans	-80.8	-12.4	-179.5	63.3	0	0	0	0	113.8	H656 D662	H656-T660 PolarHBondContact O-N 3.19Å; H656-T660 PolarHBondContact O-OG1 3.04Å; T660-D662 PolarHBondContact O-N 2.79Å; T660-D662 VanDerWaalsContact OG1-CB 3.22Å; T660-D662 WeakPolarHBondContact OG1-CB 3.49Å; T660-D662 PolarHBondContact OG1-N 3.16Å
661	G	84.1	Confident	87.4	Confident	48 Å²	48	74.9 Å²	74.9	50%	0.495	39%	0.394	S	S	.	.			trans	67.3	8.6	-170.4	0	0	0	0	0	114.1	R657 H659 K663	R657-G661 CarbonylContact O-C 3.52Å; R657-G661 WeakPolarHBondContact O-CA 3.23Å; R657-G661 PolarHBondContact O-N 3.42Å; H659-G661 VanDerWaalsContact C-N 3.32Å; H659-G661 PolarHBondContact O-N 3.22Å; G661-K663 PolarHBondContact O-N 2.83Å
662	D	88.2	Confident	87.5	Confident	79 Å²	79	77.7 Å²	77.7	42%	0.422	40%	0.403	S	S	.	.			trans	-66.7	118.5	-175.2	177.3	30.9	0	0	0	111.9	R657 T660 P664	R657-D662 HydrophobicContact CB-CB 4.5Å; R657-D662 WeakPolarHBondContact CB-O 3.26Å; R657-D662 HydrophobicContact CG-CB 4.24Å; R657-D662 IonicContact NE-OD2 3.79Å; R657-D662 PolarHBondContact O-N 3.22Å; T660-D662 PolarHBondContact O-N 2.79Å; T660-D662 VanDerWaalsContact OG1-CB 3.22Å; T660-D662 WeakPolarHBondContact OG1-CB 3.49Å; T660-D662 PolarHBondContact OG1-N 3.16Å; D662-P664 WeakPolarHBondContact O-CD 3.37Å
663	K	88.4	Confident	87.6	Confident	116 Å²	116	78.8 Å²	78.8	50%	0.504	41%	0.412	S	S	.	.			trans	-121.5	78.3	179.7	-66.3	179.2	-172.8	179.9	0	109.6	G661 Y665 S673 F674 T675	G661-K663 PolarHBondContact O-N 2.83Å; K663-Y665 VanDerWaalsContact C-N 3.28Å; K663-Y665 PolarHBondContact O-N 2.85Å; K663-S673 WeakPolarHBondContact CD-O 3.31Å; K663-S673 WeakPolarHBondContact O-CB 3.46Å; K663-F674 CarbonylContact C-O 3.56Å; K663-F674 WeakPolarHBondContact CA-O 3.5Å; K663-T675 HydrophobicContact CG-CG2 3.76Å
664	P	86.6	Confident	87.8	Confident	65 Å²	65	73.8 Å²	73.8	42%	0.422	39%	0.391	S	S	.	.			trans	-75.2	-13.5	-171.5	28	-33.7	0	0	0	114	D662 K666	D662-P664 WeakPolarHBondContact O-CD 3.37Å; P664-K666 PolarHBondContact O-N 3Å
665	Y	90.1	Very high	87.8	Confident	75 Å²	75	73 Å²	73	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	93.3	-176.2	-56.8	-78.1	0	0	0	110.5	K663 S673 F674 D677	K663-Y665 VanDerWaalsContact C-N 3.28Å; K663-Y665 PolarHBondContact O-N 2.85Å; Y665-S673 CarbonylContact O-C 3.53Å; Y665-S673 VanDerWaalsContact O-CA 3.32Å; Y665-S673 WeakPolarHBondContact O-CA 3.12Å; Y665-F674 WeakPolarHBondContact CD2-O 3.23Å; Y665-F674 PolarHBondContact N-O 3.3Å; Y665-F674 PolarHBondContact O-N 2.97Å; Y665-D677 HydrophobicContact CD1-CB 3.92Å; Y665-D677 VanDerWaalsContact CD2-N 3.32Å; Y665-D677 HydrophobicContact CE1-CB 3.71Å; Y665-D677 HydrophobicContact CE2-CB 4.39Å; Y665-D677 HydrophobicContact CG-CB 4.36Å
666	K	88.8	Confident	87.9	Confident	127 Å²	127	74.9 Å²	74.9	55%	0.552	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.5	179	-168.9	175.8	178.3	-177.8	0	111	P664 G671	P664-K666 PolarHBondContact O-N 3Å; K666-G671 WeakPolarHBondContact CE-O 3.48Å; K666-G671 WeakPolarHBondContact CG-O 3.36Å
667	C	90.2	Very high	88	Confident	1 Å²	1	75 Å²	75	1%	0.007	40%	0.398	C	S	.	.			trans	-70.3	124.5	166.9	176.3	0	0	0	0	109	E669 G671 K672 F674 L680 H687	C667-E669 VanDerWaalsContact C-N 3.3Å; C667-E669 PolarHBondContact O-N 2.94Å; C667-G671 WeakPolarHBondContact O-CA 3.45Å; C667-G671 PolarHBondContact O-N 3.32Å; C667-K672 WeakPolarHBondContact CB-O 3.39Å; C667-K672 PolarHBondContact N-O 3.42Å; C667-F674 HydrophobicContact CB-CE2 4.45Å; C667-L680 HydrophobicContact CB-CD1 3.6Å; C667-H687 PolarHBondContact SG-NE2 3.24Å; C667-H687 VanDerWaalsContact SG-NE2 3.4Å
668	N	87.6	Confident	87.9	Confident	153 Å²	153	75.4 Å²	75.4	82%	0.818	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.1	179.8	-67.6	-13	0	0	0	112.7
669	E	84.4	Confident	88.1	Confident	128 Å²	128	75.4 Å²	75.4	60%	0.598	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-40.8	-175.5	-69.1	164.3	149.6	0	0	112.7	C667 H687	C667-E669 VanDerWaalsContact C-N 3.3Å; C667-E669 PolarHBondContact O-N 2.94Å; E669-H687 WeakPolarHBondContact OE2-CB 3.42Å; E669-H687 IonicContact OE2-CD2 2.93Å; E669-H687 PolarHBondContact OE2-CD2 2.95Å; E669-H687 IonicContact OE2-CG 3.06Å; E669-H687 IonicContact OE2-NE2 3.97Å
670	C	89.8	Confident	88.2	Confident	55 Å²	55	72.3 Å²	72.3	37%	0.372	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	1.1	-178.9	74.9	0	0	0	0	114.8	K672 H683	C670-K672 PolarHBondContact O-N 2.8Å; C670-K672 VanDerWaalsContact O-N 3.09Å; C670-K672 VanDerWaalsContact SG-CG 3.57Å; C670-H683 PolarHBondContact SG-NE2 2.7Å
671	G	87.7	Confident	88.2	Confident	32 Å²	32	73.3 Å²	73.3	33%	0.33	38%	0.383	S	S	.	.			trans	72.6	-4.2	179.1	0	0	0	0	0	116.1	K666 C667 S673	K666-G671 WeakPolarHBondContact CE-O 3.48Å; K666-G671 WeakPolarHBondContact CG-O 3.36Å; C667-G671 WeakPolarHBondContact O-CA 3.45Å; C667-G671 PolarHBondContact O-N 3.32Å; G671-S673 PolarHBondContact O-N 2.84Å
672	K	89.8	Confident	88.3	Confident	127 Å²	127	75.1 Å²	75.1	55%	0.552	38%	0.384	S	S	*	.			trans	-62.6	131	178	-72.3	179.6	-177.8	177.3	0	111	C667 C670 F674	C667-K672 WeakPolarHBondContact CB-O 3.39Å; C667-K672 PolarHBondContact N-O 3.42Å; C670-K672 PolarHBondContact O-N 2.8Å; C670-K672 VanDerWaalsContact O-N 3.09Å; C670-K672 VanDerWaalsContact SG-CG 3.57Å; K672-F674 HydrophobicContact CB-CE2 3.85Å; K672-F674 HydrophobicContact CB-CZ 3.97Å; K672-F674 WeakPolarHBondContact O-CE2 3.12Å
673	S	90.3	Very high	88.2	Confident	45 Å²	45	72.2 Å²	72.2	32%	0.315	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.7	178.9	-63.1	0	0	0	0	112.2	K663 Y665 G671	K663-S673 WeakPolarHBondContact CD-O 3.31Å; K663-S673 WeakPolarHBondContact O-CB 3.46Å; Y665-S673 CarbonylContact O-C 3.53Å; Y665-S673 VanDerWaalsContact O-CA 3.32Å; Y665-S673 WeakPolarHBondContact O-CA 3.12Å; G671-S673 PolarHBondContact O-N 2.84Å
674	F	89.8	Confident	88.1	Confident	43 Å²	43	69.9 Å²	69.9	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.8	-177.6	-59.4	-89.8	0	0	0	111.3	K663 Y665 C667 K672 Q676 L680 H683	K663-F674 CarbonylContact C-O 3.56Å; K663-F674 WeakPolarHBondContact CA-O 3.5Å; Y665-F674 WeakPolarHBondContact CD2-O 3.23Å; Y665-F674 PolarHBondContact N-O 3.3Å; Y665-F674 PolarHBondContact O-N 2.97Å; C667-F674 HydrophobicContact CB-CE2 4.45Å; K672-F674 HydrophobicContact CB-CE2 3.85Å; K672-F674 HydrophobicContact CB-CZ 3.97Å; K672-F674 WeakPolarHBondContact O-CE2 3.12Å; F674-Q676 VanDerWaalsContact C-N 3.3Å; F674-L680 HydrophobicContact CD2-CB 3.88Å; F674-L680 HydrophobicContact CB-CB 4.34Å; F674-L680 HydrophobicContact CG-CB 4.29Å; F674-L680 HydrophobicContact CE2-CD1 3.9Å; F674-L680 HydrophobicContact CD2-CD1 3.76Å; F674-L680 HydrophobicContact CD2-CG 4.43Å; F674-H683 AromaticContact CZ-CD2 3.51Å; F674-H683 AromaticContact CZ-ND1 3.73Å; F674-H683 AromaticContact CZ-CG 3.19Å; F674-H683 HydrophobicContact CZ-CB 3.36Å; F674-H683 AromaticContact CE2-CG 3.58Å; F674-H683 WeakPolarHBondContact CE2-CD2 3.26Å; F674-H683 VanDerWaalsContact CE2-CD2 3.42Å; F674-H683 AromaticContact CE2-CD2 3.42Å; F674-H683 HydrophobicContact CE2-CB 3.8Å; F674-H683 HydrophobicContact CE1-CB 3.91Å
675	T	87.7	Confident	87.9	Confident	22 Å²	22	71.9 Å²	71.9	14%	0.135	36%	0.358	C	S	.	.	S	Bend	trans	-74.1	-21.4	177.1	54.5	0	0	0	0	112.7	R657 K663	R657-T675 HydrophobicContact CB-CG2 4.37Å; R657-T675 VanDerWaalsContact CD-O 3.28Å; R657-T675 WeakPolarHBondContact CD-O 3.38Å; R657-T675 PolarHBondContact NH1-O 2.91Å; K663-T675 HydrophobicContact CG-CG2 3.76Å
676	Q	88.5	Confident	87.6	Confident	56 Å²	56	74.3 Å²	74.3	26%	0.262	38%	0.375	S	S	.	.	S	Bend	trans	-136.5	144.2	-178.8	-58.7	-175.7	39.8	0	0	111.5	V654 F674 S678 Y679 L680	V654-Q676 VanDerWaalsContact CG1-CD 3.42Å; V654-Q676 HydrophobicContact CG1-CG 3.53Å; F674-Q676 VanDerWaalsContact C-N 3.3Å; Q676-S678 VanDerWaalsContact C-N 3.26Å; Q676-S678 PolarHBondContact O-N 3.48Å; Q676-S678 PolarHBondContact OE1-OG 3.29Å; Q676-Y679 VanDerWaalsContact O-N 3.15Å; Q676-Y679 PolarHBondContact O-N 3.05Å; Q676-Y679 HydrophobicContact CG-CE2 3.91Å; Q676-Y679 HydrophobicContact CB-CG 4.21Å; Q676-Y679 HydrophobicContact CB-CE2 4.06Å; Q676-Y679 HydrophobicContact CB-CD2 3.74Å; Q676-Y679 HydrophobicContact CG-CD2 4.07Å; Q676-L680 PolarHBondContact O-N 2.89Å
677	D	88.8	Confident	87.4	Confident	63 Å²	63	71.8 Å²	71.8	34%	0.337	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-35.4	175.5	179.8	69.6	0	0	0	112.5	Y665 Y679 L680 K681	Y665-D677 HydrophobicContact CD1-CB 3.92Å; Y665-D677 VanDerWaalsContact CD2-N 3.32Å; Y665-D677 HydrophobicContact CE1-CB 3.71Å; Y665-D677 HydrophobicContact CE2-CB 4.39Å; Y665-D677 HydrophobicContact CG-CB 4.36Å; D677-Y679 VanDerWaalsContact C-N 3.33Å; D677-Y679 PolarHBondContact O-N 3.13Å; D677-L680 PolarHBondContact O-N 3.07Å; D677-K681 IonicContact OD2-NZ 2.7Å; D677-K681 PolarHBondContact OD2-NZ 3.12Å; D677-K681 WeakPolarHBondContact OD2-CE 3.26Å; D677-K681 VanDerWaalsContact OD2-CE 3.23Å; D677-K681 PolarHBondContact O-N 3.26Å; D677-K681 WeakPolarHBondContact O-CG 3.33Å
678	S	86.3	Confident	87	Confident	56 Å²	56	75.8 Å²	75.8	39%	0.392	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-40.4	175.4	47.4	0	0	0	0	112.3	Q676 K681 V682	Q676-S678 VanDerWaalsContact C-N 3.26Å; Q676-S678 PolarHBondContact O-N 3.48Å; Q676-S678 PolarHBondContact OE1-OG 3.29Å; S678-K681 PolarHBondContact O-N 3.39Å; S678-V682 WeakPolarHBondContact O-CG2 3.4Å; S678-V682 PolarHBondContact O-N 2.06Å
679	Y	89.7	Confident	86.3	Confident	120 Å²	120	71.2 Å²	71.2	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-71.1	-37.5	177.4	-58.7	-30.9	0	0	0	111.8	Q676 D677 V682 H683	Q676-Y679 VanDerWaalsContact O-N 3.15Å; Q676-Y679 PolarHBondContact O-N 3.05Å; Q676-Y679 HydrophobicContact CG-CE2 3.91Å; Q676-Y679 HydrophobicContact CB-CG 4.21Å; Q676-Y679 HydrophobicContact CB-CE2 4.06Å; Q676-Y679 HydrophobicContact CB-CD2 3.74Å; Q676-Y679 HydrophobicContact CG-CD2 4.07Å; D677-Y679 VanDerWaalsContact C-N 3.33Å; D677-Y679 PolarHBondContact O-N 3.13Å; Y679-V682 PolarHBondContact O-N 3.03Å; Y679-H683 VanDerWaalsContact O-CB 3.31Å; Y679-H683 WeakPolarHBondContact O-CB 3.44Å; Y679-H683 PolarHBondContact O-N 3Å
680	L	88.4	Confident	85.8	Confident	14 Å²	14	70.5 Å²	70.5	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-46.1	171.5	174	62.1	0	0	0	111.1	C667 F674 Q676 D677 V682 H683 Q684	C667-L680 HydrophobicContact CB-CD1 3.6Å; F674-L680 HydrophobicContact CD2-CB 3.88Å; F674-L680 HydrophobicContact CB-CB 4.34Å; F674-L680 HydrophobicContact CG-CB 4.29Å; F674-L680 HydrophobicContact CE2-CD1 3.9Å; F674-L680 HydrophobicContact CD2-CD1 3.76Å; F674-L680 HydrophobicContact CD2-CG 4.43Å; Q676-L680 PolarHBondContact O-N 2.89Å; D677-L680 PolarHBondContact O-N 3.07Å; L680-V682 PolarHBondContact O-N 3.3Å; L680-H683 VanDerWaalsContact O-N 3.1Å; L680-H683 PolarHBondContact O-N 3.49Å; L680-H683 WeakPolarHBondContact O-CB 3.03Å; L680-H683 CarbonylContact O-C 3.58Å; L680-H683 WeakPolarHBondContact O-CA 3.25Å; L680-Q684 HydrophobicContact CG-CG 4.22Å; L680-Q684 WeakPolarHBondContact O-CG 3.29Å; L680-Q684 PolarHBondContact O-N 3.45Å; L680-Q684 HydrophobicContact CD1-CG 3.93Å
681	K	86.5	Confident	84.9	Confident	114 Å²	114	76.7 Å²	76.7	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-42.3	178.1	-78.8	172.4	172.7	156.1	0	113	D677 S678 H683 Q684 R685	D677-K681 IonicContact OD2-NZ 2.7Å; D677-K681 PolarHBondContact OD2-NZ 3.12Å; D677-K681 WeakPolarHBondContact OD2-CE 3.26Å; D677-K681 VanDerWaalsContact OD2-CE 3.23Å; D677-K681 PolarHBondContact O-N 3.26Å; D677-K681 WeakPolarHBondContact O-CG 3.33Å; S678-K681 PolarHBondContact O-N 3.39Å; K681-H683 VanDerWaalsContact C-N 3.31Å; K681-Q684 PolarHBondContact O-N 2.96Å; K681-R685 WeakPolarHBondContact O-CG 3.33Å; K681-R685 PolarHBondContact O-N 3.37Å
682	V	86	Confident	83.9	Confident	87 Å²	87	78.8 Å²	78.8	53%	0.527	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-40.1	174.3	172.6	0	0	0	0	110.4	S678 Y679 L680 R685	S678-V682 WeakPolarHBondContact O-CG2 3.4Å; S678-V682 PolarHBondContact O-N 2.06Å; Y679-V682 PolarHBondContact O-N 3.03Å; L680-V682 PolarHBondContact O-N 3.3Å; V682-R685 WeakPolarHBondContact O-CB 3.47Å; V682-R685 PolarHBondContact O-N 3.02Å
683	H	86.6	Confident	82.7	Confident	17 Å²	17	82.2 Å²	82.2	8%	0.079	42%	0.418	C	S	.	.	H	α-helix	trans	-66.9	-41.8	176.7	169.6	68.2	0	0	0	113.3	C670 F674 Y679 L680 K681 R685 I686 H687	C670-H683 PolarHBondContact SG-NE2 2.7Å; F674-H683 AromaticContact CZ-CD2 3.51Å; F674-H683 AromaticContact CZ-ND1 3.73Å; F674-H683 AromaticContact CZ-CG 3.19Å; F674-H683 HydrophobicContact CZ-CB 3.36Å; F674-H683 AromaticContact CE2-CG 3.58Å; F674-H683 WeakPolarHBondContact CE2-CD2 3.26Å; F674-H683 VanDerWaalsContact CE2-CD2 3.42Å; F674-H683 AromaticContact CE2-CD2 3.42Å; F674-H683 HydrophobicContact CE2-CB 3.8Å; F674-H683 HydrophobicContact CE1-CB 3.91Å; Y679-H683 VanDerWaalsContact O-CB 3.31Å; Y679-H683 WeakPolarHBondContact O-CB 3.44Å; Y679-H683 PolarHBondContact O-N 3Å; L680-H683 VanDerWaalsContact O-N 3.1Å; L680-H683 PolarHBondContact O-N 3.49Å; L680-H683 WeakPolarHBondContact O-CB 3.03Å; L680-H683 CarbonylContact O-C 3.58Å; L680-H683 WeakPolarHBondContact O-CA 3.25Å; K681-H683 VanDerWaalsContact C-N 3.31Å; H683-R685 VanDerWaalsContact O-N 3.15Å; H683-R685 PolarHBondContact O-N 3.22Å; H683-I686 VanDerWaalsContact O-CB 3.25Å; H683-I686 WeakPolarHBondContact O-CB 3.36Å; H683-I686 WeakPolarHBondContact O-CG1 3.2Å; H683-I686 PolarHBondContact O-N 3.05Å; H683-H687 AromaticContact CE1-NE2 3.63Å; H683-H687 AromaticContact NE2-CD2 3.94Å; H683-H687 AromaticContact NE2-NE2 3.14Å; H683-H687 PolarHBondContact NE2-NE2 2.85Å; H683-H687 VanDerWaalsContact NE2-NE2 3.14Å
684	Q	86.1	Confident	81.5	Confident	68 Å²	68	88.9 Å²	88.9	32%	0.318	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-26	177.8	-76.9	176	-46.5	0	0	112.5	L680 K681 I686 H687 T688	L680-Q684 HydrophobicContact CG-CG 4.22Å; L680-Q684 WeakPolarHBondContact O-CG 3.29Å; L680-Q684 PolarHBondContact O-N 3.45Å; L680-Q684 HydrophobicContact CD1-CG 3.93Å; K681-Q684 PolarHBondContact O-N 2.96Å; Q684-I686 PolarHBondContact O-N 3.34Å; Q684-H687 PolarHBondContact O-N 3.25Å; Q684-T688 PolarHBondContact O-N 3.24Å; Q684-T688 VanDerWaalsContact O-N 3.16Å; Q684-T688 PolarHBondContact O-OG1 3.04Å
685	R	83.4	Confident	80.3	Confident	106 Å²	106	92.4 Å²	92.4	40%	0.4	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-28.2	174.3	-68.7	173.6	-177.2	174.7	-4.7	113.4	K681 V682 H683 H687 T688 G689 D690	K681-R685 WeakPolarHBondContact O-CG 3.33Å; K681-R685 PolarHBondContact O-N 3.37Å; V682-R685 WeakPolarHBondContact O-CB 3.47Å; V682-R685 PolarHBondContact O-N 3.02Å; H683-R685 VanDerWaalsContact O-N 3.15Å; H683-R685 PolarHBondContact O-N 3.22Å; R685-H687 VanDerWaalsContact C-N 3.29Å; R685-H687 PolarHBondContact O-N 3.27Å; R685-T688 VanDerWaalsContact CA-OG1 3.28Å; R685-T688 WeakPolarHBondContact CA-OG1 3.4Å; R685-T688 PolarHBondContact O-N 3.11Å; R685-T688 PolarHBondContact O-OG1 3.34Å; R685-G689 PolarHBondContact O-N 3.05Å; R685-D690 PolarHBondContact O-N 3.07Å
686	I	83	Confident	79	Confident	126 Å²	126	98.3 Å²	98.3	65%	0.646	50%	0.5	S	S	*	.	H	α-helix	trans	-64.5	-37.5	176.6	-57.2	173	0	0	0	110.4	H683 Q684	H683-I686 VanDerWaalsContact O-CB 3.25Å; H683-I686 WeakPolarHBondContact O-CB 3.36Å; H683-I686 WeakPolarHBondContact O-CG1 3.2Å; H683-I686 PolarHBondContact O-N 3.05Å; Q684-I686 PolarHBondContact O-N 3.34Å
687	H	84	Confident	77.5	Confident	74 Å²	74	107.8 Å²	107.8	34%	0.343	55%	0.545	S	S	.	.	H	α-helix	trans	-76.5	-37.2	178	-58.8	-56.3	0	0	0	112.2	C667 E669 H683 Q684 R685 G689	C667-H687 PolarHBondContact SG-NE2 3.24Å; C667-H687 VanDerWaalsContact SG-NE2 3.4Å; E669-H687 WeakPolarHBondContact OE2-CB 3.42Å; E669-H687 IonicContact OE2-CD2 2.93Å; E669-H687 PolarHBondContact OE2-CD2 2.95Å; E669-H687 IonicContact OE2-CG 3.06Å; E669-H687 IonicContact OE2-NE2 3.97Å; H683-H687 AromaticContact CE1-NE2 3.63Å; H683-H687 AromaticContact NE2-CD2 3.94Å; H683-H687 AromaticContact NE2-NE2 3.14Å; H683-H687 PolarHBondContact NE2-NE2 2.85Å; H683-H687 VanDerWaalsContact NE2-NE2 3.14Å; Q684-H687 PolarHBondContact O-N 3.25Å; R685-H687 VanDerWaalsContact C-N 3.29Å; R685-H687 PolarHBondContact O-N 3.27Å; H687-G689 VanDerWaalsContact C-N 3.33Å
688	T	82.2	Confident	76.9	Confident	85 Å²	85	110.1 Å²	110.1	52%	0.521	56%	0.555	S	S	.	*	H	α-helix	trans	-79.2	-13.4	179.3	56.5	0	0	0	0	114	Q684 R685 D690	Q684-T688 PolarHBondContact O-N 3.24Å; Q684-T688 VanDerWaalsContact O-N 3.16Å; Q684-T688 PolarHBondContact O-OG1 3.04Å; R685-T688 VanDerWaalsContact CA-OG1 3.28Å; R685-T688 WeakPolarHBondContact CA-OG1 3.4Å; R685-T688 PolarHBondContact O-N 3.11Å; R685-T688 PolarHBondContact O-OG1 3.34Å; T688-D690 PolarHBondContact O-N 2.83Å
689	G	74.4	Confident	76.5	Confident	57 Å²	57	112.9 Å²	112.9	59%	0.588	56%	0.564	S	S	*	*			trans	72.8	0	-173.9	0	0	0	0	0	115.4	R685 H687 K691	R685-G689 PolarHBondContact O-N 3.05Å; H687-G689 VanDerWaalsContact C-N 3.33Å; G689-K691 PolarHBondContact O-N 3.42Å; G689-K691 VanDerWaalsContact O-N 3.08Å
690	D	73.5	Confident	75.7	Confident	113 Å²	113	112.5 Å²	112.5	60%	0.604	57%	0.569	S	S	*	*			trans	-65	106	-179.9	-91	-21.8	0	0	0	112.3	R685 T688 P692	R685-D690 PolarHBondContact O-N 3.07Å; T688-D690 PolarHBondContact O-N 2.83Å; D690-P692 VanDerWaalsContact O-CD 3.25Å; D690-P692 WeakPolarHBondContact O-CD 3.39Å
691	K	71.1	Confident	75	Confident	185 Å²	185	118.3 Å²	118.3	80%	0.804	60%	0.598	S	S	*	*			trans	-91.8	102.9	166.9	-69.1	-178.7	-178.3	177.3	0	109.4	G689 Y693	G689-K691 PolarHBondContact O-N 3.42Å; G689-K691 VanDerWaalsContact O-N 3.08Å; K691-Y693 PolarHBondContact O-N 3.21Å
692	P	65.2	Low	74.3	Confident	76 Å²	76	118.6 Å²	118.6	49%	0.494	61%	0.605	S	S	.	*			trans	-72.7	-14.6	-177.2	29.4	-36.8	0	0	0	113.8	D690	D690-P692 VanDerWaalsContact O-CD 3.25Å; D690-P692 WeakPolarHBondContact O-CD 3.39Å
693	Y	66.1	Low	73.5	Confident	199 Å²	199	120.7 Å²	120.7	78%	0.78	61%	0.61	S	S	*	*			trans	-109.3	107.3	178.2	-53.5	-69.7	0	0	0	108	K691	K691-Y693 PolarHBondContact O-N 3.21Å
694	K	64.5	Low	72.5	Confident	186 Å²	186	128.1 Å²	128.1	81%	0.809	65%	0.648	S	S	*	*			trans	-78.8	128.9	158.1	-70.4	-173.3	176.2	-175	0	106.4	N696	K694-N696 PolarHBondContact O-N 3.17Å; K694-N696 VanDerWaalsContact O-N 3.15Å
695	C	64	Low	71.5	Confident	116 Å²	116	132.7 Å²	132.7	78%	0.784	67%	0.673	S	S	*	*			trans	-66.3	110.3	162.3	-168.3	0	0	0	0	105.5	E697	C695-E697 PolarHBondContact O-N 3.21Å
696	N	59.7	Low	70.5	Confident	146 Å²	146	134.9 Å²	134.9	78%	0.781	70%	0.696	S	S	*	*			trans	-80.2	104.7	161.1	-70.6	-4.4	0	0	0	104.2	K694	K694-N696 PolarHBondContact O-N 3.17Å; K694-N696 VanDerWaalsContact O-N 3.15Å
697	E	58.2	Low	69.4	Low	256 Å²	256	135.7 Å²	135.7	100%	1.196	70%	0.7	S	S	*	*			trans	-62.7	0	159.1	-73.6	-176.2	160.7	0	0	110	C695	C695-E697 PolarHBondContact O-N 3.21Å

Retrieved 697 of 697 residues in 788.9 ms (Link to these results)

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