A0A077Z8Z6_TRITR Loading...

Protein nrx isoform l protein nrx isoform k pro tein nrx isoform b protein nrx isoform a

AlphaFold DB , UniProt , Accession A0A077Z8Z6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,024 aa.

						>A0A077Z8Z6_TRITR|A0A077Z8Z6
MWPHWTELVLKLLPVIRALLLIFSACNALTLEGSSSSYARFPRWYQAFENVLSVEIKSRASNGLLVYTDNGGQGNFYEISLHQSCVELTWRVGRFQVDSTGVHNLRNCHVKINDGRWHKVVLYHFWETIRLEVDDHKVSKTLHQQDFVFTDYEHAGDVFIGGLPVDYDSSSLSFPFVKALTRFQGSVRNLIYRTLPYGVTAPSMLQWQGVRASDTDYCALNDYCACYSSDTGPACNCPNDRSGTRCEIGKSFLFFSSFYRLLQPRRRGAQKIESVCISLYQGAVNVVSKTRGSEQDARVMPFKSSFSDQKLGFSDGHWHLLSFSRTLSQVTVRFCTFLHLSKQTTGRRSLQRLRFYLPYKLCLLKFCAQVRFEADGRSIDLIKELSVRNGLSRVVGDNLGRSCQHSFSSEAVTFLSSDGYLNATGWHGGISGQVGFRFRTKEPNGLLLYVGPAKMSSGNFFAIEMFNGHLYLSIDLGSGTLRLQLDRTPVNDGHWHAVNIHRNARTGSSSVDDWHVDFSTPGKERTLDSDAFMQIGALPWNSPNISPSVWTATLRQGFIGCIRDFTIDGILLDFVGLLPTLKEPPVEVGCYDMLPQCGDYVCQNEGRCVESWNSYRCDCTSVFYSGDHCEQSALSGNFIKIDHSLLNFSGMFTNLQHCIGLQLGNWRLECFIVSQGIFQVGISSLGQQLHYDFVSVGCMENSSANSVSWISKTYPGIDGSRFVGSISDLTFDGVDVLYLAWRQKIGDKSFSSSNVINFVSKNVQFSADEELVTTFYSGGYALVETVKSEVDTAEVMQISFSFRTSKADCILFHRHGDERGISSNLSYSLNDMNWHSVLLKHYDHGAAEITIDNVTTSKTSAKGDPEIVRYDRLFRFGSPLADVLESLKPVTGFEGCMMSVKINGVPKRLLRDCVSFEYLHQGCSGMSTVSGYRNSNFKFPRSTMRRRKRLPEEGYCVVTYKDRFSESRVEEKTVKISDGFHHTVKFQRAQLDLSITVDSGESVVEKMKGKVARLNVAPSSCLLA
					

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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	41.8	Very low	57.8	Low	226 Å²	226	129.6 Å²	129.6	100%	1.113	63%	0.632	S	S	*	*				0	109.2	0	-78.8	158.1	61.2	0	0	108.5
2	W	41.4	Very low	58.6	Low	183 Å²	183	124.9 Å²	124.9	69%	0.693	61%	0.611	S	S	*	*			trans	57.9	59.9	163.4	-63	60.2	0	0	0	121.5	W5	W2-W5 AromaticContact CD2-CD1 3.23Å; W2-W5 AromaticContact CD2-CG 3.89Å; W2-W5 HydrophobicContact CD2-CG 3.89Å; W2-W5 AromaticContact CD2-NE1 3.53Å; W2-W5 AromaticContact CE2-CD1 3.73Å; W2-W5 AromaticContact CE2-NE1 3.48Å; W2-W5 HydrophobicContact CE3-CB 3.63Å; W2-W5 AromaticContact CE3-CD1 3.04Å; W2-W5 AromaticContact CE3-CD2 3.78Å; W2-W5 HydrophobicContact CE3-CD2 3.78Å; W2-W5 AromaticContact CE3-CE2 3.97Å; W2-W5 AromaticContact CE3-CG 3.19Å; W2-W5 HydrophobicContact CE3-CG 3.19Å; W2-W5 AromaticContact CE3-NE1 3.52Å; W2-W5 AromaticContact CG-CD1 3.88Å; W2-W5 AromaticContact CH2-CD1 3.84Å; W2-W5 AromaticContact CH2-CD2 3.65Å; W2-W5 HydrophobicContact CH2-CD2 3.65Å; W2-W5 AromaticContact CH2-CE2 3.26Å; W2-W5 HydrophobicContact CH2-CE3 4.29Å; W2-W5 AromaticContact CH2-CG 3.99Å; W2-W5 HydrophobicContact CH2-CG 3.99Å; W2-W5 HydrophobicContact CH2-CH2 4.25Å; W2-W5 AromaticContact CH2-CZ2 3.6Å; W2-W5 HydrophobicContact CH2-CZ2 3.6Å; W2-W5 AromaticContact CH2-NE1 3.38Å; W2-W5 HydrophobicContact CZ2-CD2 4.45Å; W2-W5 AromaticContact CZ2-CE2 3.72Å; W2-W5 HydrophobicContact CZ2-CZ2 4.06Å; W2-W5 AromaticContact CZ2-NE1 3.42Å; W2-W5 HydrophobicContact CZ3-CB 3.92Å; W2-W5 AromaticContact CZ3-CD1 3.37Å; W2-W5 AromaticContact CZ3-CD2 3.27Å; W2-W5 HydrophobicContact CZ3-CD2 3.27Å; W2-W5 AromaticContact CZ3-CE2 3.41Å; W2-W5 VanDerWaalsContact CZ3-CE2 3.41Å; W2-W5 AromaticContact CZ3-CE3 3.93Å; W2-W5 HydrophobicContact CZ3-CE3 3.93Å; W2-W5 AromaticContact CZ3-CG 3.24Å; W2-W5 HydrophobicContact CZ3-CG 3.24Å; W2-W5 HydrophobicContact CZ3-CZ2 4.15Å; W2-W5 AromaticContact CZ3-NE1 3.44Å
3	P	56.8	Low	59.5	Low	105 Å²	105	121.9 Å²	121.9	68%	0.682	60%	0.599	S	S	*	*	S	Bend	trans	-99.9	-3.8	153	23.2	-8.5	0	0	0	114.3
4	H	54.2	Low	59.9	Low	146 Å²	146	118.9 Å²	118.9	68%	0.676	59%	0.593	S	S	*	*	S	Bend	trans	-90.5	-12.3	-179.6	-90.6	-50.8	0	0	0	115.5
5	W	54.5	Low	60.4	Low	135 Å²	135	115.7 Å²	115.7	51%	0.511	58%	0.582	S	S	.	*	H	α-helix	trans	-81	-27	-176.8	-78.9	85.9	0	0	0	113.6	W2 L8 V9	W2-W5 AromaticContact CD2-CD1 3.23Å; W2-W5 AromaticContact CD2-CG 3.89Å; W2-W5 HydrophobicContact CD2-CG 3.89Å; W2-W5 AromaticContact CD2-NE1 3.53Å; W2-W5 AromaticContact CE2-CD1 3.73Å; W2-W5 AromaticContact CE2-NE1 3.48Å; W2-W5 HydrophobicContact CE3-CB 3.63Å; W2-W5 AromaticContact CE3-CD1 3.04Å; W2-W5 AromaticContact CE3-CD2 3.78Å; W2-W5 HydrophobicContact CE3-CD2 3.78Å; W2-W5 AromaticContact CE3-CE2 3.97Å; W2-W5 AromaticContact CE3-CG 3.19Å; W2-W5 HydrophobicContact CE3-CG 3.19Å; W2-W5 AromaticContact CE3-NE1 3.52Å; W2-W5 AromaticContact CG-CD1 3.88Å; W2-W5 AromaticContact CH2-CD1 3.84Å; W2-W5 AromaticContact CH2-CD2 3.65Å; W2-W5 HydrophobicContact CH2-CD2 3.65Å; W2-W5 AromaticContact CH2-CE2 3.26Å; W2-W5 HydrophobicContact CH2-CE3 4.29Å; W2-W5 AromaticContact CH2-CG 3.99Å; W2-W5 HydrophobicContact CH2-CG 3.99Å; W2-W5 HydrophobicContact CH2-CH2 4.25Å; W2-W5 AromaticContact CH2-CZ2 3.6Å; W2-W5 HydrophobicContact CH2-CZ2 3.6Å; W2-W5 AromaticContact CH2-NE1 3.38Å; W2-W5 HydrophobicContact CZ2-CD2 4.45Å; W2-W5 AromaticContact CZ2-CE2 3.72Å; W2-W5 HydrophobicContact CZ2-CZ2 4.06Å; W2-W5 AromaticContact CZ2-NE1 3.42Å; W2-W5 HydrophobicContact CZ3-CB 3.92Å; W2-W5 AromaticContact CZ3-CD1 3.37Å; W2-W5 AromaticContact CZ3-CD2 3.27Å; W2-W5 HydrophobicContact CZ3-CD2 3.27Å; W2-W5 AromaticContact CZ3-CE2 3.41Å; W2-W5 VanDerWaalsContact CZ3-CE2 3.41Å; W2-W5 AromaticContact CZ3-CE3 3.93Å; W2-W5 HydrophobicContact CZ3-CE3 3.93Å; W2-W5 AromaticContact CZ3-CG 3.24Å; W2-W5 HydrophobicContact CZ3-CG 3.24Å; W2-W5 HydrophobicContact CZ3-CZ2 4.15Å; W2-W5 AromaticContact CZ3-NE1 3.44Å; W5-L8 PolarHBondContact O-N 3.37Å; W5-V9 WeakPolarHBondContact O-CB 3.22Å; W5-V9 WeakPolarHBondContact O-CG2 3.11Å; W5-V9 PolarHBondContact O-N 2.96Å
6	T	60.9	Low	60.7	Low	96 Å²	96	113.6 Å²	113.6	59%	0.589	57%	0.572	S	S	*	*	H	α-helix	trans	-69.8	-40.1	179	43.3	0	0	0	0	112.3	L10	T6-L10 WeakPolarHBondContact O-CB 3.24Å; T6-L10 PolarHBondContact O-N 2.99Å
7	E	61	Low	60.5	Low	105 Å²	105	117.8 Å²	117.8	49%	0.491	58%	0.579	S	S	.	*	H	α-helix	trans	-66.5	-38.2	173.5	-100.7	-152.2	119.4	0	0	112.6	K11	E7-K11 WeakPolarHBondContact O-CB 2.95Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 3.27Å; E7-K11 IonicContact OE1-NZ 3.91Å; E7-K11 PolarHBondContact OE1-NZ 3.4Å; E7-K11 IonicContact OE2-NZ 2.77Å
8	L	62.2	Low	60.2	Low	98 Å²	98	113.7 Å²	113.7	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-68.8	-41.5	179.3	-141.3	95.9	0	0	0	111.2	W5 K11 L12	W5-L8 PolarHBondContact O-N 3.37Å; L8-K11 PolarHBondContact O-N 3.45Å; L8-L12 HydrophobicContact CD2-CD1 3.93Å; L8-L12 HydrophobicContact CG-CD1 4.24Å; L8-L12 VanDerWaalsContact O-CB 3.25Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 WeakPolarHBondContact O-CD1 3.35Å; L8-L12 WeakPolarHBondContact O-CG 3.21Å; L8-L12 PolarHBondContact O-N 3.15Å
9	V	66.8	Low	59.7	Low	77 Å²	77	112 Å²	112	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-38	177.8	173.1	0	0	0	0	111.4	W5 L12 L13	W5-V9 WeakPolarHBondContact O-CB 3.22Å; W5-V9 WeakPolarHBondContact O-CG2 3.11Å; W5-V9 PolarHBondContact O-N 2.96Å; V9-L12 PolarHBondContact O-N 3.32Å; V9-L13 HydrophobicContact CG1-CD1 4.38Å; V9-L13 WeakPolarHBondContact O-CB 3.44Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3Å
10	L	68.6	Low	59.1	Low	122 Å²	122	111.9 Å²	111.9	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-70.1	-34.2	174.9	-81.7	159.1	0	0	0	113.3	T6 L13 P14	T6-L10 WeakPolarHBondContact O-CB 3.24Å; T6-L10 PolarHBondContact O-N 2.99Å; L10-L13 HydrophobicContact CD2-CD1 4.19Å; L10-P14 WeakPolarHBondContact O-CD 3.05Å
11	K	67.3	Low	58.3	Low	133 Å²	133	112.2 Å²	112.2	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-75.6	-28.1	173.5	-73.1	174.7	-176.4	161.2	0	112.7	E7 L8 P14	E7-K11 WeakPolarHBondContact O-CB 2.95Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 3.27Å; E7-K11 IonicContact OE1-NZ 3.91Å; E7-K11 PolarHBondContact OE1-NZ 3.4Å; E7-K11 IonicContact OE2-NZ 2.77Å; L8-K11 PolarHBondContact O-N 3.45Å; K11-P14 WeakPolarHBondContact O-CD 3.4Å
12	L	67.4	Low	58.3	Low	73 Å²	73	107.4 Å²	107.4	38%	0.382	54%	0.541	S	S	.	.	H	α-helix	trans	-83.3	-24.1	175.3	-73	167.2	0	0	0	113	L8 V9 V15 I16	L8-L12 HydrophobicContact CD2-CD1 3.93Å; L8-L12 HydrophobicContact CG-CD1 4.24Å; L8-L12 VanDerWaalsContact O-CB 3.25Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 WeakPolarHBondContact O-CD1 3.35Å; L8-L12 WeakPolarHBondContact O-CG 3.21Å; L8-L12 PolarHBondContact O-N 3.15Å; V9-L12 PolarHBondContact O-N 3.32Å; L12-V15 CarbonylContact O-C 3.51Å; L12-V15 WeakPolarHBondContact O-CA 3.47Å; L12-V15 PolarHBondContact O-N 2.98Å; L12-I16 HydrophobicContact CB-CD1 3.97Å; L12-I16 HydrophobicContact CB-CG1 4.43Å; L12-I16 WeakPolarHBondContact O-CB 3.34Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 2.87Å
13	L	70.3	Confident	58.1	Low	86 Å²	86	106.5 Å²	106.5	45%	0.45	54%	0.542	S	S	.	.	H	α-helix	trans	-54.7	-44.4	177.7	-92.2	161.1	0	0	0	114.8	V9 L10 V15 R17	V9-L13 HydrophobicContact CG1-CD1 4.38Å; V9-L13 WeakPolarHBondContact O-CB 3.44Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3Å; L10-L13 HydrophobicContact CD2-CD1 4.19Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-R17 VanDerWaalsContact O-CB 3.3Å; L13-R17 WeakPolarHBondContact O-CB 3.37Å; L13-R17 PolarHBondContact O-N 3.31Å
14	P	65	Low	56.9	Low	80 Å²	80	105.5 Å²	105.5	52%	0.519	54%	0.538	S	S	.	.	H	α-helix	trans	-70.8	-28.3	173	26	-32.5	0	0	0	112.5	L10 K11 A18	L10-P14 WeakPolarHBondContact O-CD 3.05Å; K11-P14 WeakPolarHBondContact O-CD 3.4Å; P14-A18 WeakPolarHBondContact O-CA 3.08Å; P14-A18 WeakPolarHBondContact O-CB 3.4Å; P14-A18 PolarHBondContact O-N 3.2Å
15	V	68.4	Low	56	Low	70 Å²	70	102 Å²	102	42%	0.424	53%	0.534	S	S	.	.	H	α-helix	trans	-74.8	-34.6	175.5	-178.6	0	0	0	0	111.2	L12 L13 L19	L12-V15 CarbonylContact O-C 3.51Å; L12-V15 WeakPolarHBondContact O-CA 3.47Å; L12-V15 PolarHBondContact O-N 2.98Å; L13-V15 VanDerWaalsContact C-N 3.33Å; V15-L19 HydrophobicContact CG1-CD1 3.85Å; V15-L19 WeakPolarHBondContact O-CB 3.4Å; V15-L19 WeakPolarHBondContact O-CD1 3.21Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.2Å; V15-L19 PolarHBondContact O-N 2.89Å
16	I	65.4	Low	55.6	Low	82 Å²	82	99 Å²	99	42%	0.421	53%	0.533	S	S	.	.	H	α-helix	trans	-77.7	-35.1	174.3	-66.3	166.9	0	0	0	109.8	L12 L20	L12-I16 HydrophobicContact CB-CD1 3.97Å; L12-I16 HydrophobicContact CB-CG1 4.43Å; L12-I16 WeakPolarHBondContact O-CB 3.34Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 2.87Å; I16-L20 HydrophobicContact CG2-CD1 3.67Å; I16-L20 HydrophobicContact CG2-CG 4.21Å; I16-L20 WeakPolarHBondContact O-CA 3.44Å; I16-L20 WeakPolarHBondContact O-CB 3.39Å; I16-L20 WeakPolarHBondContact O-CD1 3.41Å; I16-L20 WeakPolarHBondContact O-CG 3.33Å; I16-L20 PolarHBondContact O-N 2.96Å
17	R	56.8	Low	55.8	Low	186 Å²	186	102 Å²	102	70%	0.702	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-39.8	167.6	-101.8	-178.2	167.3	173.9	-3.6	111.4	L13 L21	L13-R17 VanDerWaalsContact O-CB 3.3Å; L13-R17 WeakPolarHBondContact O-CB 3.37Å; L13-R17 PolarHBondContact O-N 3.31Å; R17-L21 WeakPolarHBondContact O-CB 3.44Å; R17-L21 WeakPolarHBondContact O-CD1 2.98Å; R17-L21 WeakPolarHBondContact O-CG 3.28Å; R17-L21 PolarHBondContact O-N 3.02Å
18	A	54.9	Low	56.9	Low	43 Å²	43	99 Å²	99	36%	0.355	54%	0.538	S	S	.	.	H	α-helix	trans	-67.4	-44.6	174.2	0	0	0	0	0	110.5	P14 L21 I22	P14-A18 WeakPolarHBondContact O-CA 3.08Å; P14-A18 WeakPolarHBondContact O-CB 3.4Å; P14-A18 PolarHBondContact O-N 3.2Å; A18-L21 CarbonylContact O-C 3.6Å; A18-L21 PolarHBondContact O-N 3.38Å; A18-I22 HydrophobicContact CB-CD1 4.49Å; A18-I22 WeakPolarHBondContact O-CB 3.46Å; A18-I22 VanDerWaalsContact O-CD1 3.22Å; A18-I22 WeakPolarHBondContact O-CD1 3.48Å; A18-I22 WeakPolarHBondContact O-CG1 3.26Å; A18-I22 PolarHBondContact O-N 2.97Å
19	L	51.1	Low	58.1	Low	82 Å²	82	95.6 Å²	95.6	43%	0.429	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-42.7	173.8	-84.4	155.4	0	0	0	111.2	V15 I22 F23	V15-L19 HydrophobicContact CG1-CD1 3.85Å; V15-L19 WeakPolarHBondContact O-CB 3.4Å; V15-L19 WeakPolarHBondContact O-CD1 3.21Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.2Å; V15-L19 PolarHBondContact O-N 2.89Å; L19-I22 CarbonylContact O-C 3.55Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-F23 HydrophobicContact CD2-CD2 4.25Å; L19-F23 HydrophobicContact CD2-CE2 3.92Å; L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.4Å; L19-F23 WeakPolarHBondContact O-CD2 3.38Å; L19-F23 PolarHBondContact O-N 2.93Å
20	L	46.9	Very low	59.3	Low	110 Å²	110	92.4 Å²	92.4	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-70.4	-31	175.8	-73.3	166.9	0	0	0	112.1	I16 F23 S24	I16-L20 HydrophobicContact CG2-CD1 3.67Å; I16-L20 HydrophobicContact CG2-CG 4.21Å; I16-L20 WeakPolarHBondContact O-CA 3.44Å; I16-L20 WeakPolarHBondContact O-CB 3.39Å; I16-L20 WeakPolarHBondContact O-CD1 3.41Å; I16-L20 WeakPolarHBondContact O-CG 3.33Å; I16-L20 PolarHBondContact O-N 2.96Å; L20-F23 PolarHBondContact O-N 3.19Å; L20-S24 WeakPolarHBondContact O-CB 3.37Å; L20-S24 PolarHBondContact O-N 2.85Å; L20-S24 PolarHBondContact O-OG 3.3Å
21	L	41.8	Very low	60.4	Low	119 Å²	119	86.6 Å²	86.6	62%	0.623	47%	0.471	S	S	*	.	H	α-helix	trans	-74.5	-27.8	170.4	-73.7	164.8	0	0	0	112.1	R17 A18	R17-L21 WeakPolarHBondContact O-CB 3.44Å; R17-L21 WeakPolarHBondContact O-CD1 2.98Å; R17-L21 WeakPolarHBondContact O-CG 3.28Å; R17-L21 PolarHBondContact O-N 3.02Å; A18-L21 CarbonylContact O-C 3.6Å; A18-L21 PolarHBondContact O-N 3.38Å
22	I	41.8	Very low	61.4	Low	125 Å²	125	81.4 Å²	81.4	64%	0.641	45%	0.449	S	S	*	.	H	α-helix	trans	-78	-26.8	172	-68.7	160.8	0	0	0	110.9	A18 L19	A18-I22 HydrophobicContact CB-CD1 4.49Å; A18-I22 WeakPolarHBondContact O-CB 3.46Å; A18-I22 VanDerWaalsContact O-CD1 3.22Å; A18-I22 WeakPolarHBondContact O-CD1 3.48Å; A18-I22 WeakPolarHBondContact O-CG1 3.26Å; A18-I22 PolarHBondContact O-N 2.97Å; L19-I22 CarbonylContact O-C 3.55Å; L19-I22 PolarHBondContact O-N 3.4Å
23	F	38.3	Very low	62.4	Low	163 Å²	163	78.5 Å²	78.5	72%	0.715	44%	0.436	S	S	*	.	H	α-helix	trans	-97.8	-4	177.4	-83.7	-76.8	0	0	0	114.5	L19 L20	L19-F23 HydrophobicContact CD2-CD2 4.25Å; L19-F23 HydrophobicContact CD2-CE2 3.92Å; L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.4Å; L19-F23 WeakPolarHBondContact O-CD2 3.38Å; L19-F23 PolarHBondContact O-N 2.93Å; L20-F23 PolarHBondContact O-N 3.19Å
24	S	32	Very low	63.2	Low	84 Å²	84	74.5 Å²	74.5	59%	0.587	42%	0.415	S	S	*	.	S	Bend	trans	-111.6	2.3	177.4	58.7	0	0	0	0	115	L20 C26	L20-S24 WeakPolarHBondContact O-CB 3.37Å; L20-S24 PolarHBondContact O-N 2.85Å; L20-S24 PolarHBondContact O-OG 3.3Å; S24-C26 VanDerWaalsContact C-N 3.29Å; S24-C26 PolarHBondContact O-N 2.9Å
25	A	34.7	Very low	63.9	Low	72 Å²	72	74.5 Å²	74.5	60%	0.595	42%	0.417	S	S	*	.	S	Bend	trans	-83.3	73.6	171.3	0	0	0	0	0	111
26	C	45.5	Very low	64.7	Low	74 Å²	74	72.2 Å²	72.2	50%	0.5	41%	0.405	S	S	.	.			trans	33.1	90.6	154.9	-147.6	0	0	0	0	116.3	S24 A28 R188	S24-C26 VanDerWaalsContact C-N 3.29Å; S24-C26 PolarHBondContact O-N 2.9Å; C26-A28 VanDerWaalsContact C-N 3.26Å; C26-A28 PolarHBondContact O-N 3.19Å; C26-R188 PolarHBondContact SG-NH1 2.74Å
27	N	65.3	Low	65.9	Low	158 Å²	158	68.3 Å²	68.3	85%	0.845	39%	0.385	S	S	*	.			trans	-63.5	79.5	177.9	-70.9	-30.1	0	0	0	112.1
28	A	83.9	Confident	67.7	Low	41 Å²	41	59.6 Å²	59.6	34%	0.339	35%	0.351	S	S	.	.			trans	-91.1	135.1	167	0	0	0	0	0	109.6	C26 W117 V187 R188	C26-A28 VanDerWaalsContact C-N 3.26Å; C26-A28 PolarHBondContact O-N 3.19Å; A28-W117 HydrophobicContact CB-CH2 3.69Å; A28-W117 HydrophobicContact CB-CZ2 3.87Å; A28-V187 CarbonylContact C-O 3.59Å; A28-V187 WeakPolarHBondContact CA-O 3.19Å; A28-R188 HydrophobicContact CB-CB 4.18Å
29	L	88.4	Confident	69.5	Low	28 Å²	28	57.5 Å²	57.5	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.5	171.5	178.1	75.2	0	0	0	109.5	L31 A39 S186 V187 M204 V210	L29-L31 HydrophobicContact CD2-CD1 4.38Å; L29-L31 HydrophobicContact CD2-CD2 4.45Å; L29-L31 HydrophobicContact CD2-CG 4.21Å; L29-A39 HydrophobicContact CD2-CB 3.65Å; L29-S186 CarbonylContact O-C 3.59Å; L29-S186 WeakPolarHBondContact O-CA 3.11Å; L29-V187 PolarHBondContact N-O 2.55Å; L29-V187 PolarHBondContact O-N 3.26Å; L29-M204 HydrophobicContact CD1-CE 3.3Å; L29-M204 HydrophobicContact CD1-SD 4.29Å; L29-M204 HydrophobicContact CD2-CE 3.46Å; L29-M204 VanDerWaalsContact CD2-CE 3.46Å; L29-M204 HydrophobicContact CG-CE 3.92Å; L29-V210 HydrophobicContact CD1-CB 4.1Å; L29-V210 HydrophobicContact CD1-CG1 3.16Å; L29-V210 HydrophobicContact CD1-CG2 3.76Å; L29-V210 HydrophobicContact CG-CG1 4.17Å; L29-V210 HydrophobicContact CG-CG2 4.34Å
30	T	91.3	Very high	71.6	Confident	10 Å²	10	57.1 Å²	57.1	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.9	174.6	-56.2	0	0	0	0	111.2	G185 S186 V210 R211	T30-G185 CarbonylContact C-O 3.5Å; T30-G185 WeakPolarHBondContact CA-O 3.29Å; T30-S186 PolarHBondContact OG1-OG 3.48Å; T30-V210 CarbonylContact O-C 3.6Å; T30-V210 WeakPolarHBondContact O-CA 3.07Å; T30-R211 HydrophobicContact CG2-CB 4.42Å; T30-R211 VanDerWaalsContact CG2-NH2 3.31Å; T30-R211 PolarHBondContact O-N 2.76Å
31	L	92	Very high	73.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.3	174.8	-70.3	154.8	0	0	0	109.9	L29 I160 F183 G185 V187 V210	L29-L31 HydrophobicContact CD2-CD1 4.38Å; L29-L31 HydrophobicContact CD2-CD2 4.45Å; L29-L31 HydrophobicContact CD2-CG 4.21Å; L31-I160 HydrophobicContact CD1-CG2 3.97Å; L31-F183 HydrophobicContact CB-CD1 4.47Å; L31-F183 HydrophobicContact CD1-CD1 3.89Å; L31-G185 PolarHBondContact N-O 3.15Å; L31-G185 PolarHBondContact O-N 2.83Å; L31-G185 VanDerWaalsContact O-N 3.16Å; L31-V187 HydrophobicContact CD1-CG2 4.12Å; L31-V210 HydrophobicContact CD2-CG2 3.91Å
32	E	89.3	Confident	76.2	Confident	24 Å²	24	49 Å²	49	11%	0.112	29%	0.286	C	S	.	.			trans	-81.8	-25.5	-173.6	78.3	-172.1	172.4	0	0	114.1	S34 Q184 G209 R211 Y227 S228	E32-S34 WeakPolarHBondContact OE1-CB 3.45Å; E32-S34 PolarHBondContact OE1-OG 3.31Å; E32-Q184 WeakPolarHBondContact O-CG 3.46Å; E32-G209 VanDerWaalsContact CD-CA 3.49Å; E32-G209 WeakPolarHBondContact CG-O 3.11Å; E32-G209 PolarHBondContact N-O 3.32Å; E32-G209 WeakPolarHBondContact OE1-CA 3.46Å; E32-R211 HydrophobicContact CB-CG 3.85Å; E32-Y227 HydrophobicContact CB-CD2 4.33Å; E32-Y227 HydrophobicContact CG-CD2 3.93Å; E32-Y227 HydrophobicContact CG-CE2 4.3Å; E32-Y227 WeakPolarHBondContact O-CB 2.98Å; E32-S228 WeakPolarHBondContact CB-O 3.16Å
33	G	87.8	Confident	78.5	Confident	11 Å²	11	47.4 Å²	47.4	11%	0.113	27%	0.272	C	S	.	.			trans	84.8	7.4	-177.9	0	0	0	0	0	115.4	S37 N236	G33-S37 PolarHBondContact N-OG 3.1Å; G33-N236 PolarHBondContact O-ND2 2.91Å
34	S	85.9	Confident	80.7	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.014	24%	0.239	C	C	.	.			trans	-62.3	157.8	171.5	74	0	0	0	0	110.9	E32 S36 S37 R182 Y227	E32-S34 WeakPolarHBondContact OE1-CB 3.45Å; E32-S34 PolarHBondContact OE1-OG 3.31Å; S34-S36 PolarHBondContact O-N 2.82Å; S34-S36 PolarHBondContact OG-N 3.07Å; S34-S36 PolarHBondContact OG-OG 2.91Å; S34-S37 VanDerWaalsContact O-CB 3.23Å; S34-S37 WeakPolarHBondContact O-CB 3.35Å; S34-S37 PolarHBondContact O-N 2.83Å; S34-S37 PolarHBondContact OG-N 3.16Å; S34-R182 WeakPolarHBondContact O-CD 3.44Å; S34-Y227 VanDerWaalsContact CB-CE2 3.47Å
35	S	81.5	Confident	82.5	Confident	80 Å²	80	39 Å²	39	56%	0.559	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	2.1	177.6	68.4	0	0	0	0	116.1	V165 R182 N236	S35-V165 VanDerWaalsContact O-CG2 3.28Å; S35-V165 WeakPolarHBondContact O-CG2 3.41Å; S35-R182 PolarHBondContact O-NE 3.38Å; S35-R182 PolarHBondContact O-NH2 2.84Å; S35-N236 PolarHBondContact N-OD1 3.16Å
36	S	83.3	Confident	84.1	Confident	23 Å²	23	35.9 Å²	35.9	16%	0.161	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-0.6	172.3	69.4	0	0	0	0	114.3	S34 Y38 R182 Q208	S34-S36 PolarHBondContact O-N 2.82Å; S34-S36 PolarHBondContact OG-N 3.07Å; S34-S36 PolarHBondContact OG-OG 2.91Å; S36-Y38 VanDerWaalsContact O-CD1 3.24Å; S36-Y38 WeakPolarHBondContact O-CD1 3.26Å; S36-Y38 PolarHBondContact O-N 2.83Å; S36-R182 PolarHBondContact O-NH1 3.41Å; S36-Q208 WeakPolarHBondContact O-CB 3.39Å; S36-Q208 PolarHBondContact OG-NE2 3.35Å
37	S	91.1	Very high	85.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.			trans	-67.6	118.7	-175.6	-179.3	0	0	0	0	113.4	G33 S34 R182 Q208 G209	G33-S37 PolarHBondContact N-OG 3.1Å; S34-S37 VanDerWaalsContact O-CB 3.23Å; S34-S37 WeakPolarHBondContact O-CB 3.35Å; S34-S37 PolarHBondContact O-N 2.83Å; S34-S37 PolarHBondContact OG-N 3.16Å; S37-R182 VanDerWaalsContact C-NH1 3.31Å; S37-R182 PolarHBondContact O-NH1 2.83Å; S37-Q208 CarbonylContact C-O 3.59Å; S37-Q208 VanDerWaalsContact CA-O 3.23Å; S37-Q208 WeakPolarHBondContact CA-O 3.07Å; S37-G209 PolarHBondContact OG-O 3.33Å
38	Y	94.1	Very high	85.2	Confident	2 Å²	2	31 Å²	31	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	162.6	170.9	72.8	-83.2	0	0	0	112	S36 R40 F159 G162 P164 Q206 W207 Q208	S36-Y38 VanDerWaalsContact O-CD1 3.24Å; S36-Y38 WeakPolarHBondContact O-CD1 3.26Å; S36-Y38 PolarHBondContact O-N 2.83Å; Y38-R40 HydrophobicContact CD2-CB 4.44Å; Y38-R40 HydrophobicContact CE2-CB 4.25Å; Y38-F159 HydrophobicContact CD2-CD1 4.36Å; Y38-G162 VanDerWaalsContact CB-C 3.44Å; Y38-G162 VanDerWaalsContact CB-O 3.3Å; Y38-G162 WeakPolarHBondContact CB-O 3.5Å; Y38-P164 HydrophobicContact CD1-CB 4.44Å; Y38-P164 HydrophobicContact CD1-CG 4.39Å; Y38-P164 HydrophobicContact CD2-CG 4.06Å; Y38-P164 HydrophobicContact CE1-CB 3.87Å; Y38-P164 HydrophobicContact CE1-CG 3.98Å; Y38-P164 HydrophobicContact CE2-CB 4.38Å; Y38-P164 HydrophobicContact CE2-CG 3.6Å; Y38-P164 HydrophobicContact CG-CG 4.44Å; Y38-Q206 HydrophobicContact CE2-CG 4.36Å; Y38-Q206 PolarHBondContact OH-NE2 3.1Å; Y38-W207 VanDerWaalsContact O-CA 3.31Å; Y38-W207 WeakPolarHBondContact O-CA 3.15Å; Y38-Q208 HydrophobicContact CD1-CB 4.13Å; Y38-Q208 HydrophobicContact CE1-CB 3.66Å; Y38-Q208 PolarHBondContact N-O 2.86Å; Y38-Q208 PolarHBondContact O-N 3.48Å; Y38-Q208 VanDerWaalsContact O-O 3.09Å
39	A	94.3	Very high	85	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.5	164.6	0	0	0	0	0	111	L29 F41 F159 I160 M204 W207	L29-A39 HydrophobicContact CD2-CB 3.65Å; A39-F41 HydrophobicContact CB-CE2 3.85Å; A39-F41 HydrophobicContact CB-CZ 4.49Å; A39-F159 CarbonylContact O-C 3.54Å; A39-F159 WeakPolarHBondContact O-CA 3.12Å; A39-I160 PolarHBondContact N-O 2.75Å; A39-I160 PolarHBondContact O-N 3.4Å; A39-M204 HydrophobicContact CB-CE 3.64Å; A39-M204 HydrophobicContact CB-SD 4.15Å; A39-W207 HydrophobicContact CB-CB 4.44Å
40	R	94.9	Very high	84.8	Confident	73 Å²	73	31.1 Å²	31.1	28%	0.275	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.6	-178.4	-178	-178.2	-179.4	169.2	3.8	109.9	Y38 D157 F159 L205 Q206	Y38-R40 HydrophobicContact CD2-CB 4.44Å; Y38-R40 HydrophobicContact CE2-CB 4.25Å; R40-D157 HydrophobicContact CG-CB 4.23Å; R40-D157 IonicContact CZ-OD2 3.76Å; R40-D157 IonicContact NE-OD2 2.79Å; R40-D157 PolarHBondContact NE-OD2 2.84Å; R40-D157 IonicContact NH2-OD2 2.66Å; R40-D157 PolarHBondContact NH2-OD2 2.73Å; R40-F159 HydrophobicContact CB-CD1 4.13Å; R40-F159 HydrophobicContact CB-CE1 3.9Å; R40-F159 HydrophobicContact CG-CD1 4.22Å; R40-F159 HydrophobicContact CG-CE1 3.64Å; R40-F159 HydrophobicContact CG-CZ 4.01Å; R40-L205 HydrophobicContact CG-CB 4.4Å; R40-L205 PolarHBondContact O-N 3.27Å; R40-Q206 HydrophobicContact CB-CB 4.18Å; R40-Q206 WeakPolarHBondContact CB-O 3.01Å; R40-Q206 PolarHBondContact N-O 2.99Å
41	F	94.1	Very high	84.8	Confident	17 Å²	17	31.3 Å²	31.3	8%	0.075	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.4	177.6	-65.8	-93.1	0	0	0	110	A39 D157 V158 I160 L190 Y192 P202 M204	A39-F41 HydrophobicContact CB-CE2 3.85Å; A39-F41 HydrophobicContact CB-CZ 4.49Å; F41-D157 VanDerWaalsContact O-CB 3.31Å; F41-D157 WeakPolarHBondContact O-CB 3.32Å; F41-V158 HydrophobicContact CB-CB 4.37Å; F41-V158 PolarHBondContact N-O 2.81Å; F41-V158 PolarHBondContact O-N 3.39Å; F41-I160 HydrophobicContact CD2-CD1 4.18Å; F41-I160 HydrophobicContact CD2-CG1 4.08Å; F41-I160 HydrophobicContact CE2-CB 4.17Å; F41-I160 HydrophobicContact CE2-CD1 3.82Å; F41-I160 HydrophobicContact CE2-CG1 3.96Å; F41-L190 HydrophobicContact CB-CD2 4.22Å; F41-L190 HydrophobicContact CD1-CD2 3.69Å; F41-L190 HydrophobicContact CD2-CD2 3.74Å; F41-L190 HydrophobicContact CE1-CD2 3.88Å; F41-L190 HydrophobicContact CE2-CD2 3.94Å; F41-L190 HydrophobicContact CG-CD2 3.6Å; F41-L190 HydrophobicContact CZ-CD2 4Å; F41-Y192 WeakPolarHBondContact CB-OH 3.43Å; F41-P202 HydrophobicContact CB-CB 4.38Å; F41-P202 HydrophobicContact CD1-CB 4.11Å; F41-P202 HydrophobicContact CD1-CG 4.06Å; F41-M204 HydrophobicContact CD1-CB 4.48Å; F41-M204 HydrophobicContact CE1-CB 4Å; F41-M204 HydrophobicContact CE1-CE 4.45Å; F41-M204 HydrophobicContact CE2-CE 4.35Å; F41-M204 HydrophobicContact CZ-CB 4.32Å; F41-M204 HydrophobicContact CZ-CE 3.77Å
42	P	91.4	Very high	84.9	Confident	41 Å²	41	31.4 Å²	31.4	27%	0.266	16%	0.158	S	C	.	.			trans	-57.7	148	178.5	-18.9	30.3	0	0	0	111.8	W44 Y192 P202 S203 L205	P42-W44 PolarHBondContact O-N 3.27Å; P42-Y192 WeakPolarHBondContact O-CE2 3.38Å; P42-P202 HydrophobicContact CG-CB 4.49Å; P42-S203 VanDerWaalsContact CD-O 3.23Å; P42-S203 WeakPolarHBondContact CD-O 3.42Å; P42-L205 HydrophobicContact CB-CD1 4.2Å; P42-L205 HydrophobicContact CG-CD1 3.92Å; P42-L205 HydrophobicContact CG-CD2 3.98Å; P42-L205 HydrophobicContact CG-CG 3.86Å
43	R	88.5	Confident	85.1	Confident	92 Å²	92	31 Å²	31	35%	0.347	16%	0.158	S	C	.	.			trans	-39	132.4	171.5	58.8	-175.8	160.6	178.6	-5.6	114	Y152 A155 G156 D157	R43-Y152 HydrophobicContact CG-CE2 3.81Å; R43-Y152 PolarHBondContact NE-OH 3.22Å; R43-Y152 PolarHBondContact NH1-O 3Å; R43-Y152 VanDerWaalsContact NH2-CE1 3.25Å; R43-A155 HydrophobicContact CB-CB 4.21Å; R43-G156 WeakPolarHBondContact CA-O 3.38Å; R43-G156 VanDerWaalsContact CB-O 3.3Å; R43-G156 WeakPolarHBondContact CB-O 3.04Å; R43-D157 PolarHBondContact N-OD1 2.99Å
44	W	84.5	Confident	85.5	Confident	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.152	C	C	.	.			trans	-85.5	121.3	175.2	174.3	30.2	0	0	0	109.2	P42 Q46 N50 V51 L52 T68 Y77 L122 V158 Y192 T194	P42-W44 PolarHBondContact O-N 3.27Å; W44-Q46 HydrophobicContact CD2-CG 4.08Å; W44-Q46 HydrophobicContact CE3-CG 4Å; W44-Q46 HydrophobicContact CG-CG 4.43Å; W44-Q46 HydrophobicContact CZ3-CG 4.45Å; W44-Q46 WeakPolarHBondContact O-CG 3.26Å; W44-Q46 PolarHBondContact O-N 2.77Å; W44-Q46 VanDerWaalsContact O-N 3.17Å; W44-N50 HydrophobicContact CH2-CB 3.76Å; W44-N50 HydrophobicContact CZ2-CB 3.31Å; W44-V51 WeakPolarHBondContact CZ2-O 3.48Å; W44-L52 HydrophobicContact CD2-CB 4.37Å; W44-L52 HydrophobicContact CD2-CD1 4.16Å; W44-L52 HydrophobicContact CE3-CB 4.22Å; W44-L52 HydrophobicContact CE3-CD1 3.77Å; W44-L52 HydrophobicContact CH2-CB 3.56Å; W44-L52 HydrophobicContact CZ2-CB 3.68Å; W44-L52 HydrophobicContact CZ3-CB 3.86Å; W44-L52 HydrophobicContact CZ3-CD1 4.01Å; W44-T68 HydrophobicContact CE3-CG2 4.32Å; W44-Y77 HydrophobicContact CZ3-CD2 4.24Å; W44-Y77 HydrophobicContact CZ3-CE2 4.47Å; W44-L122 HydrophobicContact CH2-CD2 4.02Å; W44-L122 HydrophobicContact CZ3-CD2 3.97Å; W44-V158 HydrophobicContact CB-CG2 3.72Å; W44-Y192 HydrophobicContact CB-CD1 4.38Å; W44-Y192 HydrophobicContact CB-CD2 4.03Å; W44-Y192 HydrophobicContact CB-CE1 4.35Å; W44-Y192 HydrophobicContact CB-CE2 3.98Å; W44-Y192 HydrophobicContact CB-CG 4.25Å; W44-Y192 VanDerWaalsContact CD1-CB 3.49Å; W44-Y192 AromaticContact CD1-CD1 3.94Å; W44-Y192 AromaticContact CD1-CD2 3.89Å; W44-Y192 AromaticContact CD1-CG 3.49Å; W44-Y192 VanDerWaalsContact CD1-CG 3.49Å; W44-Y192 HydrophobicContact CG-CD1 4.04Å; W44-Y192 HydrophobicContact CG-CD2 4.19Å; W44-Y192 HydrophobicContact CG-CE1 4.43Å; W44-Y192 AromaticContact CG-CG 3.94Å; W44-Y192 HydrophobicContact CG-CG 3.94Å; W44-T194 PolarHBondContact NE1-OG1 3.01Å
45	Y	71.3	Confident	85.9	Confident	71 Å²	71	32.2 Å²	32.2	28%	0.278	16%	0.16	S	C	.	.			trans	-62.9	119.1	176.2	-162.7	-63.7	0	0	0	109.3	A47 Y152 T194 Y197	Y45-A47 HydrophobicContact CD1-CB 4.4Å; Y45-A47 HydrophobicContact CE1-CB 4.26Å; Y45-Y152 AromaticContact CD2-CD2 3.38Å; Y45-Y152 HydrophobicContact CD2-CD2 3.38Å; Y45-Y152 HydrophobicContact CD2-CE2 4.02Å; Y45-Y152 AromaticContact CD2-CG 3.99Å; Y45-Y152 HydrophobicContact CD2-CG 3.99Å; Y45-Y152 AromaticContact CE2-CD2 3.92Å; Y45-Y152 HydrophobicContact CE2-CD2 3.92Å; Y45-Y152 HydrophobicContact CE2-CG 4.04Å; Y45-Y152 HydrophobicContact CG-CD2 4.11Å; Y45-T194 HydrophobicContact CD1-CG2 3.59Å; Y45-T194 HydrophobicContact CE1-CG2 4.49Å; Y45-T194 HydrophobicContact CG-CG2 4.18Å; Y45-T194 WeakPolarHBondContact O-CB 3.33Å; Y45-T194 WeakPolarHBondContact O-CG2 3.44Å; Y45-T194 PolarHBondContact O-OG1 2.87Å; Y45-Y197 AromaticContact CD1-CD2 3.75Å; Y45-Y197 HydrophobicContact CD1-CD2 3.75Å; Y45-Y197 AromaticContact CD1-CE2 3.68Å; Y45-Y197 HydrophobicContact CD1-CE2 3.68Å; Y45-Y197 HydrophobicContact CD2-CD2 4.19Å; Y45-Y197 HydrophobicContact CD2-CE2 4.06Å; Y45-Y197 AromaticContact CE1-CD2 3.75Å; Y45-Y197 HydrophobicContact CE1-CD2 3.75Å; Y45-Y197 AromaticContact CE1-CE2 3.15Å; Y45-Y197 HydrophobicContact CE1-CE2 3.15Å; Y45-Y197 AromaticContact CE1-CZ 3.92Å; Y45-Y197 HydrophobicContact CE2-CD2 4.18Å; Y45-Y197 HydrophobicContact CE2-CE1 4.18Å; Y45-Y197 AromaticContact CE2-CE2 3.59Å; Y45-Y197 HydrophobicContact CE2-CE2 3.59Å; Y45-Y197 AromaticContact CE2-CZ 3.57Å; Y45-Y197 AromaticContact CG-CD2 3.99Å; Y45-Y197 HydrophobicContact CG-CD2 3.99Å; Y45-Y197 HydrophobicContact CG-CE2 4.11Å; Y45-Y197 AromaticContact CZ-CD2 3.97Å; Y45-Y197 AromaticContact CZ-CE2 3.1Å; Y45-Y197 AromaticContact CZ-CZ 3.34Å; Y45-Y197 VanDerWaalsContact CZ-OH 3.27Å; Y45-Y197 WeakPolarHBondContact OH-CE2 3.25Å; Y45-Y197 PolarHBondContact OH-OH 2.97Å
46	Q	67.6	Low	86.5	Confident	6 Å²	6	28.4 Å²	28.4	3%	0.028	13%	0.134	C	C	.	.			trans	-111.3	103.5	-178.2	-68.4	141	-15.8	0	0	110.4	W44 N50 F149 T150	W44-Q46 HydrophobicContact CD2-CG 4.08Å; W44-Q46 HydrophobicContact CE3-CG 4Å; W44-Q46 HydrophobicContact CG-CG 4.43Å; W44-Q46 HydrophobicContact CZ3-CG 4.45Å; W44-Q46 WeakPolarHBondContact O-CG 3.26Å; W44-Q46 PolarHBondContact O-N 2.77Å; W44-Q46 VanDerWaalsContact O-N 3.17Å; Q46-N50 VanDerWaalsContact CA-OD1 3.32Å; Q46-N50 WeakPolarHBondContact CA-OD1 3.42Å; Q46-F149 HydrophobicContact CB-CB 4.04Å; Q46-F149 HydrophobicContact CB-CD1 4.21Å; Q46-F149 HydrophobicContact CB-CG 4.38Å; Q46-F149 VanDerWaalsContact CD-CE1 3.42Å; Q46-F149 HydrophobicContact CG-CD1 4.14Å; Q46-F149 HydrophobicContact CG-CG 4.41Å; Q46-T150 VanDerWaalsContact O-O 3.13Å
47	A	66.7	Low	87	Confident	21 Å²	21	29.8 Å²	29.8	17%	0.174	14%	0.137	C	C	.	.			trans	-99.4	-155	172.7	0	0	0	0	0	111.1	Y45 N50 T194 L195	Y45-A47 HydrophobicContact CD1-CB 4.4Å; Y45-A47 HydrophobicContact CE1-CB 4.26Å; A47-N50 PolarHBondContact N-OD1 3.29Å; A47-N50 PolarHBondContact O-ND2 3.4Å; A47-T194 HydrophobicContact CB-CG2 3.81Å; A47-L195 WeakPolarHBondContact CB-O 3.38Å
48	F	67.7	Low	87.1	Confident	108 Å²	108	30 Å²	30	47%	0.474	14%	0.138	S	C	.	.	S	Bend	trans	-77.1	-21.4	175	-64.6	-80.7	0	0	0	113.7	W126 V148	F48-W126 HydrophobicContact CD1-CE3 4.45Å; F48-W126 HydrophobicContact CD1-CZ3 4.46Å; F48-W126 PolarHBondContact O-N 3.06Å; F48-V148 HydrophobicContact CD1-CG2 4.39Å; F48-V148 HydrophobicContact CE1-CG2 3.67Å; F48-V148 HydrophobicContact CZ-CG2 4.16Å
49	E	79	Confident	86.9	Confident	71 Å²	71	38.6 Å²	38.6	33%	0.332	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	105.8	179.8	-61.1	-167.2	-178.2	0	0	110.2	H124 F125 L195	E49-H124 CarbonylContact C-O 3.58Å; E49-H124 VanDerWaalsContact CA-O 3.32Å; E49-H124 WeakPolarHBondContact CA-O 3.37Å; E49-F125 HydrophobicContact CB-CD1 3.87Å; E49-F125 HydrophobicContact CB-CE1 4.18Å; E49-F125 HydrophobicContact CG-CD1 3.88Å; E49-L195 HydrophobicContact CB-CB 4.39Å; E49-L195 HydrophobicContact CB-CD1 4.22Å; E49-L195 PolarHBondContact O-N 3.4Å; E49-L195 WeakPolarHBondContact OE2-CD1 3.49Å
50	N	84.3	Confident	86.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137	-174.5	-47	-63.3	0	0	0	110.9	W44 Q46 A47 H124	W44-N50 HydrophobicContact CH2-CB 3.76Å; W44-N50 HydrophobicContact CZ2-CB 3.31Å; Q46-N50 VanDerWaalsContact CA-OD1 3.32Å; Q46-N50 WeakPolarHBondContact CA-OD1 3.42Å; A47-N50 PolarHBondContact N-OD1 3.29Å; A47-N50 PolarHBondContact O-ND2 3.4Å; N50-H124 HydrophobicContact CB-CB 4.33Å; N50-H124 PolarHBondContact N-O 3.27Å; N50-H124 PolarHBondContact O-N 3.4Å
51	V	91.4	Very high	86.3	Confident	15 Å²	15	38.6 Å²	38.6	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128	170.5	-167	0	0	0	0	110.4	W44 V121 L122 Y123 F125 R193	W44-V51 WeakPolarHBondContact CZ2-O 3.48Å; V51-V121 HydrophobicContact CG1-CG1 3.36Å; V51-L122 CarbonylContact C-O 3.49Å; V51-L122 VanDerWaalsContact CA-O 3.26Å; V51-L122 WeakPolarHBondContact CA-O 3.17Å; V51-Y123 HydrophobicContact CB-CD1 4.23Å; V51-Y123 HydrophobicContact CB-CE1 4.36Å; V51-Y123 HydrophobicContact CG1-CD1 3.71Å; V51-Y123 HydrophobicContact CG1-CE1 3.55Å; V51-Y123 HydrophobicContact CG1-CG 4.42Å; V51-Y123 HydrophobicContact CG2-CD1 3.59Å; V51-Y123 HydrophobicContact CG2-CE1 3.84Å; V51-F125 HydrophobicContact CG2-CE1 4.41Å; V51-F125 HydrophobicContact CG2-CZ 4.14Å; V51-R193 HydrophobicContact CB-CB 4.12Å; V51-R193 PolarHBondContact N-O 2.04Å; V51-R193 PolarHBondContact O-N 3.18Å
52	L	93.5	Very high	86.2	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.8	169.3	-177.7	153.7	0	0	0	107.8	W44 V66 V121 L122 V158 L190 Y192	W44-L52 HydrophobicContact CD2-CB 4.37Å; W44-L52 HydrophobicContact CD2-CD1 4.16Å; W44-L52 HydrophobicContact CE3-CB 4.22Å; W44-L52 HydrophobicContact CE3-CD1 3.77Å; W44-L52 HydrophobicContact CH2-CB 3.56Å; W44-L52 HydrophobicContact CZ2-CB 3.68Å; W44-L52 HydrophobicContact CZ3-CB 3.86Å; W44-L52 HydrophobicContact CZ3-CD1 4.01Å; L52-V66 HydrophobicContact CD1-CG1 4.09Å; L52-V66 HydrophobicContact CD2-CG1 4.26Å; L52-V66 HydrophobicContact CD2-CG2 4.27Å; L52-V121 CarbonylContact O-C 3.6Å; L52-V121 WeakPolarHBondContact O-CA 3.29Å; L52-L122 HydrophobicContact CB-CB 4.42Å; L52-L122 PolarHBondContact N-O 3.23Å; L52-L122 PolarHBondContact O-N 3.38Å; L52-V158 HydrophobicContact CD1-CG1 4.31Å; L52-L190 HydrophobicContact CD2-CD1 4.29Å; L52-L190 HydrophobicContact CG-CD1 4.41Å; L52-Y192 HydrophobicContact CD1-CD1 4.15Å; L52-Y192 HydrophobicContact CD1-CE1 3.78Å; L52-Y192 HydrophobicContact CG-CD1 4.15Å; L52-Y192 HydrophobicContact CG-CE1 4.12Å
53	S	94.5	Very high	86.2	Confident	14 Å²	14	38.8 Å²	38.8	10%	0.098	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.6	-179.4	177.8	0	0	0	0	109.8	V120 L190 I191	S53-V120 WeakPolarHBondContact CA-O 3.49Å; S53-L190 CarbonylContact O-C 3.59Å; S53-L190 WeakPolarHBondContact O-CA 3.48Å; S53-I191 PolarHBondContact N-O 2.95Å; S53-I191 PolarHBondContact O-N 3.2Å
54	V	94.9	Very high	86.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.4	175.5	65.3	0	0	0	0	110.3	I56 L65 V66 V120 V187 L190	V54-I56 HydrophobicContact CG1-CG2 4.23Å; V54-I56 HydrophobicContact CG2-CG2 4.06Å; V54-L65 HydrophobicContact CG1-CD2 4.12Å; V54-V66 HydrophobicContact CG1-CG2 4.36Å; V54-V120 HydrophobicContact CG1-CB 4.11Å; V54-V120 PolarHBondContact N-O 2.58Å; V54-V120 PolarHBondContact O-N 3.02Å; V54-V187 HydrophobicContact CG2-CG1 3.24Å; V54-L190 HydrophobicContact CB-CD1 4.2Å; V54-L190 HydrophobicContact CG2-CD1 4.42Å
55	E	95.3	Very high	87	Confident	40 Å²	40	34.5 Å²	34.5	19%	0.187	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.8	170.7	-73.2	176.6	-140.8	0	0	110.3	W117 H118 K119 V187 R188 N189	E55-W117 HydrophobicContact CB-CE3 4.05Å; E55-W117 HydrophobicContact CB-CZ3 4.4Å; E55-W117 WeakPolarHBondContact O-CZ3 3.29Å; E55-H118 CarbonylContact C-O 3.6Å; E55-H118 VanDerWaalsContact CA-O 3.29Å; E55-H118 WeakPolarHBondContact CA-O 3.25Å; E55-K119 HydrophobicContact CG-CB 4.33Å; E55-K119 HydrophobicContact CG-CG 4.34Å; E55-V187 CarbonylContact O-C 3Å; E55-V187 WeakPolarHBondContact O-CA 3.33Å; E55-R188 HydrophobicContact CB-CG 3.79Å; E55-R188 PolarHBondContact N-O 2.89Å; E55-R188 PolarHBondContact O-N 3.25Å; E55-R188 IonicContact OE2-CZ 3.64Å; E55-R188 VanDerWaalsContact OE2-CZ 3.24Å; E55-R188 IonicContact OE2-NE 3.49Å; E55-R188 PolarHBondContact OE2-NE 3.18Å; E55-R188 IonicContact OE2-NH2 2.97Å; E55-R188 PolarHBondContact OE2-NH2 3.28Å; E55-N189 VanDerWaalsContact CD-ND2 3.33Å; E55-N189 HydrophobicContact CG-CB 4.34Å; E55-N189 PolarHBondContact OE1-ND2 2.75Å
56	I	94.8	Very high	88.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.2	-172.6	67.2	176	0	0	0	112.3	V54 L65 I112 W117 H118 V120 F183 S186 V187	V54-I56 HydrophobicContact CG1-CG2 4.23Å; V54-I56 HydrophobicContact CG2-CG2 4.06Å; I56-L65 HydrophobicContact CB-CD1 4.47Å; I56-L65 HydrophobicContact CD1-CD1 4.26Å; I56-L65 HydrophobicContact CD1-CD2 3.8Å; I56-L65 HydrophobicContact CG2-CD1 3.58Å; I56-L65 HydrophobicContact CG2-CD2 4.04Å; I56-L65 HydrophobicContact CG2-CG 4.39Å; I56-I112 HydrophobicContact CD1-CD1 3.79Å; I56-I112 HydrophobicContact CD1-CG2 3.63Å; I56-I112 HydrophobicContact CG1-CD1 4.38Å; I56-I112 HydrophobicContact CG1-CG2 3.95Å; I56-W117 VanDerWaalsContact C-CE3 3.46Å; I56-W117 CarbonylContact O-C 3.51Å; I56-W117 WeakPolarHBondContact O-CA 3.44Å; I56-H118 HydrophobicContact CG1-CB 4.39Å; I56-H118 PolarHBondContact N-O 3.16Å; I56-H118 PolarHBondContact O-N 2.88Å; I56-V120 HydrophobicContact CD1-CG2 3.85Å; I56-V120 HydrophobicContact CG1-CG2 4.23Å; I56-F183 HydrophobicContact CB-CZ 4.19Å; I56-S186 CarbonylContact C-O 3.55Å; I56-S186 VanDerWaalsContact CA-O 3.31Å; I56-S186 WeakPolarHBondContact CA-O 3.37Å; I56-V187 HydrophobicContact CG2-CG1 4.45Å; I56-V187 HydrophobicContact CG2-CG2 4.32Å
57	K	93.3	Very high	89.5	Confident	51 Å²	51	31.1 Å²	31.1	22%	0.222	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.9	174.1	-177.4	-175.6	79.3	167.4	0	109	G115 R116 W117 G185 S186 D214	K57-G115 WeakPolarHBondContact CD-O 3.39Å; K57-G115 VanDerWaalsContact CG-O 3.23Å; K57-G115 WeakPolarHBondContact CG-O 3.29Å; K57-R116 WeakPolarHBondContact CA-O 3.49Å; K57-W117 HydrophobicContact CB-CD2 3.81Å; K57-W117 HydrophobicContact CB-CE3 3.82Å; K57-W117 HydrophobicContact CB-CG 4.36Å; K57-W117 HydrophobicContact CB-CH2 4.22Å; K57-W117 HydrophobicContact CB-CZ2 4.22Å; K57-W117 HydrophobicContact CB-CZ3 4.01Å; K57-G185 CarbonylContact O-C 3.59Å; K57-G185 VanDerWaalsContact O-CA 3.27Å; K57-G185 WeakPolarHBondContact O-CA 2.83Å; K57-S186 PolarHBondContact N-O 3.41Å; K57-S186 PolarHBondContact O-N 3.14Å; K57-D214 IonicContact NZ-OD2 3.11Å; K57-D214 PolarHBondContact NZ-OD2 2.88Å
58	S	91.9	Very high	90.8	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	15%	0.146	C	C	.	.			trans	-145.6	159	-176.2	-174.4	0	0	0	0	112.7	A60 I112 N113 G115 Q184	S58-A60 WeakPolarHBondContact OG-CB 3.45Å; S58-A60 PolarHBondContact OG-N 2.83Å; S58-I112 VanDerWaalsContact O-O 3.11Å; S58-N113 CarbonylContact O-C 3.59Å; S58-N113 VanDerWaalsContact O-C 3.28Å; S58-N113 VanDerWaalsContact O-CA 3.3Å; S58-N113 WeakPolarHBondContact O-CA 3.42Å; S58-G115 WeakPolarHBondContact O-CA 3.24Å; S58-G115 PolarHBondContact O-N 2.81Å; S58-Q184 PolarHBondContact OG-O 2.77Å
59	R	90.2	Very high	91.9	Very high	184 Å²	184	25.1 Å²	25.1	69%	0.694	12%	0.124	S	C	*	.			trans	-112.4	-3.7	164.5	-66.7	-176.9	177.7	-170.9	-1.3	112.2
60	A	87.5	Confident	92.2	Very high	19 Å²	19	22 Å²	22	16%	0.157	11%	0.109	C	C	.	.			trans	-72.8	136.6	179.8	0	0	0	0	0	110.2	S58 Q184	S58-A60 WeakPolarHBondContact OG-CB 3.45Å; S58-A60 PolarHBondContact OG-N 2.83Å; A60-Q184 HydrophobicContact CB-CB 4.39Å
61	S	90.6	Very high	91.9	Very high	53 Å²	53	24.2 Å²	24.2	37%	0.371	13%	0.133	S	C	.	.	S	Bend	trans	-83.6	-21.9	175	52.8	0	0	0	0	112.8	H82 Q83 S84	S61-H82 CarbonylContact O-C 3.49Å; S61-Q83 WeakPolarHBondContact O-CA 3.04Å; S61-Q83 PolarHBondContact O-N 2.84Å; S61-S84 PolarHBondContact O-N 3.06Å
62	N	91.6	Very high	91.3	Very high	61 Å²	61	25 Å²	25	33%	0.326	14%	0.143	S	C	.	.	S	Bend	trans	-136.7	147.7	-179.9	-55	-60.7	0	0	0	111.2	L81 H82 Q83 T181	N62-L81 CarbonylContact C-O 3.45Å; N62-L81 WeakPolarHBondContact CA-O 3.42Å; N62-H82 WeakPolarHBondContact OD1-CA 3.42Å; N62-Q83 PolarHBondContact OD1-N 2.91Å; N62-T181 PolarHBondContact O-OG1 2.99Å
63	G	90.9	Very high	90.6	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163	145.3	173.1	0	0	0	0	0	114.3	L65 S80 L81 T181	G63-L65 PolarHBondContact O-N 2.83Å; G63-S80 CarbonylContact O-C 3.59Å; G63-S80 VanDerWaalsContact O-CA 3.3Å; G63-S80 WeakPolarHBondContact O-CA 3.4Å; G63-S80 WeakPolarHBondContact O-CB 2.98Å; G63-L81 PolarHBondContact N-O 2.78Å; G63-L81 PolarHBondContact O-N 3.36Å; G63-T181 CarbonylContact C-O 3.56Å; G63-T181 VanDerWaalsContact CA-O 3.26Å; G63-T181 WeakPolarHBondContact CA-O 3.26Å; G63-T181 WeakPolarHBondContact CA-OG1 3.16Å; G63-T181 PolarHBondContact N-OG1 2.87Å
64	L	94.6	Very high	90	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.2	172.6	175.6	63.1	0	0	0	110.7	E78 G161 V177 L180 T181 F183	L64-E78 HydrophobicContact CD1-CG 3.95Å; L64-G161 CarbonylContact O-C 3.55Å; L64-G161 VanDerWaalsContact O-C 3.29Å; L64-G161 WeakPolarHBondContact O-CA 3.28Å; L64-G161 PolarHBondContact O-N 3.01Å; L64-V177 HydrophobicContact CD1-CG2 3.75Å; L64-V177 HydrophobicContact CD2-CG2 3.36Å; L64-V177 HydrophobicContact CG-CG2 4.16Å; L64-L180 HydrophobicContact CB-CB 4.14Å; L64-L180 HydrophobicContact CB-CD1 4.29Å; L64-L180 HydrophobicContact CD1-CD1 3.97Å; L64-T181 PolarHBondContact N-O 2.89Å; L64-F183 VanDerWaalsContact O-CB 3.27Å; L64-F183 WeakPolarHBondContact O-CB 3.28Å
65	L	95.4	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-56.7	-179.9	-178.2	68.3	0	0	0	112.7	V54 I56 G63 I79 V120 I160 G161 F183	V54-L65 HydrophobicContact CG1-CD2 4.12Å; I56-L65 HydrophobicContact CB-CD1 4.47Å; I56-L65 HydrophobicContact CD1-CD1 4.26Å; I56-L65 HydrophobicContact CD1-CD2 3.8Å; I56-L65 HydrophobicContact CG2-CD1 3.58Å; I56-L65 HydrophobicContact CG2-CD2 4.04Å; I56-L65 HydrophobicContact CG2-CG 4.39Å; G63-L65 PolarHBondContact O-N 2.83Å; L65-I79 WeakPolarHBondContact CA-O 3.37Å; L65-I79 HydrophobicContact CB-CG2 4.34Å; L65-I79 VanDerWaalsContact CB-O 3.3Å; L65-I79 WeakPolarHBondContact CB-O 3.44Å; L65-I79 HydrophobicContact CD2-CG2 3.99Å; L65-I79 PolarHBondContact N-O 2.83Å; L65-V120 HydrophobicContact CD2-CG2 4.49Å; L65-I160 WeakPolarHBondContact O-CA 3.42Å; L65-I160 WeakPolarHBondContact O-CG2 3.2Å; L65-G161 PolarHBondContact O-N 2.81Å; L65-F183 HydrophobicContact CD1-CD1 4.32Å; L65-F183 HydrophobicContact CD1-CD2 4.03Å; L65-F183 HydrophobicContact CD1-CE1 4.18Å; L65-F183 HydrophobicContact CD1-CE2 3.89Å; L65-F183 HydrophobicContact CD1-CG 4.24Å; L65-F183 HydrophobicContact CD1-CZ 3.96Å
66	V	95.9	Very high	89.5	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.5	-179.4	-172.9	0	0	0	0	109.5	L52 V54 E78 I79 V158 F159	L52-V66 HydrophobicContact CD1-CG1 4.09Å; L52-V66 HydrophobicContact CD2-CG1 4.26Å; L52-V66 HydrophobicContact CD2-CG2 4.27Å; V54-V66 HydrophobicContact CG1-CG2 4.36Å; V66-E78 WeakPolarHBondContact O-CA 3.15Å; V66-I79 HydrophobicContact CB-CB 4.14Å; V66-I79 HydrophobicContact CB-CD1 4.27Å; V66-I79 HydrophobicContact CB-CG1 4.39Å; V66-I79 HydrophobicContact CG2-CD1 4.36Å; V66-I79 PolarHBondContact N-O 2.67Å; V66-I79 PolarHBondContact O-N 3Å; V66-V158 HydrophobicContact CG1-CG1 3.75Å; V66-F159 CarbonylContact C-O 3.49Å; V66-F159 VanDerWaalsContact CA-O 3.32Å; V66-F159 WeakPolarHBondContact CA-O 3.37Å
67	Y	95	Very high	89.5	Confident	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.3	168.1	-179.8	-96.9	0	0	0	111	D69 F76 Y77 E78 F159 L163 L172 S173 F174 V177	Y67-D69 HydrophobicContact CE1-CB 4.11Å; Y67-D69 WeakPolarHBondContact CE1-OD2 3.22Å; Y67-D69 WeakPolarHBondContact OH-CB 3.37Å; Y67-D69 PolarHBondContact OH-OD2 2.93Å; Y67-F76 HydrophobicContact CE2-CB 4.19Å; Y67-F76 HydrophobicContact CE2-CD2 4.35Å; Y67-Y77 WeakPolarHBondContact CA-O 3.47Å; Y67-E78 HydrophobicContact CD2-CB 4.23Å; Y67-F159 HydrophobicContact CD1-CD2 4.38Å; Y67-F159 PolarHBondContact N-O 2.69Å; Y67-F159 PolarHBondContact O-N 3.23Å; Y67-L163 HydrophobicContact CD1-CD2 4.19Å; Y67-L172 HydrophobicContact CD1-CD2 4.2Å; Y67-L172 HydrophobicContact CE1-CD2 3.32Å; Y67-S173 PolarHBondContact OH-N 3.28Å; Y67-F174 HydrophobicContact CE2-CB 4.16Å; Y67-F174 PolarHBondContact OH-N 2.9Å; Y67-V177 HydrophobicContact CD2-CB 4.06Å; Y67-V177 HydrophobicContact CD2-CG1 4.29Å; Y67-V177 HydrophobicContact CD2-CG2 3.6Å; Y67-V177 HydrophobicContact CE2-CB 4.1Å; Y67-V177 HydrophobicContact CE2-CG1 4.05Å; Y67-V177 HydrophobicContact CE2-CG2 4.15Å; Y67-V177 HydrophobicContact CG-CG2 3.88Å
68	T	93.7	Very high	89.6	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.3	169.7	-175.6	0	0	0	0	109.4	W44 F76 Y77 D157	W44-T68 HydrophobicContact CE3-CG2 4.32Å; T68-F76 CarbonylContact O-C 3.52Å; T68-F76 WeakPolarHBondContact O-CA 3.31Å; T68-Y77 HydrophobicContact CG2-CD2 4.28Å; T68-Y77 PolarHBondContact N-O 2.86Å; T68-Y77 VanDerWaalsContact N-O 3.07Å; T68-Y77 PolarHBondContact O-N 2.79Å; T68-D157 PolarHBondContact OG1-O 2.89Å
69	D	90.9	Very high	89.8	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	-177.4	-180	66.3	19.5	0	0	0	112.4	Y67 G71 N75 F76 G156 L172 S173	Y67-D69 HydrophobicContact CE1-CB 4.11Å; Y67-D69 WeakPolarHBondContact CE1-OD2 3.22Å; Y67-D69 WeakPolarHBondContact OH-CB 3.37Å; Y67-D69 PolarHBondContact OH-OD2 2.93Å; D69-G71 PolarHBondContact OD1-N 2.79Å; D69-N75 WeakPolarHBondContact CA-O 3.18Å; D69-N75 VanDerWaalsContact CB-O 3.31Å; D69-N75 WeakPolarHBondContact CB-O 3.08Å; D69-F76 HydrophobicContact CB-CB 3.91Å; D69-G156 WeakPolarHBondContact O-CA 3.48Å; D69-G156 PolarHBondContact O-N 2.88Å; D69-L172 VanDerWaalsContact OD2-CA 3.31Å; D69-L172 WeakPolarHBondContact OD2-CA 3.46Å; D69-S173 PolarHBondContact OD2-N 2.84Å
70	N	86.5	Confident	90	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.032	13%	0.129	C	C	.	.	S	Bend	trans	-99.1	41.7	174.3	67.3	-14.5	0	0	0	112.7	G72 Q73 G74 N75 F149 T150 H154 S173	N70-G72 PolarHBondContact O-N 2.89Å; N70-Q73 WeakPolarHBondContact ND2-CB 3.47Å; N70-Q73 WeakPolarHBondContact O-CG 3.39Å; N70-Q73 PolarHBondContact O-N 2.82Å; N70-Q73 VanDerWaalsContact OD1-C 3.3Å; N70-Q73 WeakPolarHBondContact OD1-CA 3.15Å; N70-Q73 PolarHBondContact OD1-N 3.44Å; N70-G74 PolarHBondContact OD1-N 2.78Å; N70-N75 HydrophobicContact CB-CB 4.45Å; N70-N75 PolarHBondContact N-O 2.9Å; N70-N75 VanDerWaalsContact N-O 3.15Å; N70-N75 WeakPolarHBondContact ND2-CB 3.34Å; N70-N75 PolarHBondContact ND2-N 2.85Å; N70-N75 PolarHBondContact OD1-N 2.81Å; N70-N75 PolarHBondContact OD1-O 3.2Å; N70-F149 HydrophobicContact CB-CE1 4.2Å; N70-T150 HydrophobicContact CB-CG2 3.73Å; N70-H154 CarbonylContact C-O 3.58Å; N70-H154 VanDerWaalsContact CA-O 3.23Å; N70-H154 WeakPolarHBondContact CA-O 3.47Å; N70-S173 PolarHBondContact OD1-OG 2.62Å
71	G	78	Confident	90.4	Very high	47 Å²	47	18.5 Å²	18.5	49%	0.485	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	35.7	174.4	0	0	0	0	0	113.8	D69 H154 S171	D69-G71 PolarHBondContact OD1-N 2.79Å; G71-H154 PolarHBondContact N-O 2.78Å; G71-S171 CarbonylContact C-O 3.51Å
72	G	77.7	Confident	90.4	Very high	31 Å²	31	19.6 Å²	19.6	32%	0.32	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	5.4	179.3	0	0	0	0	0	115.6	N70 G74 S171 S173	N70-G72 PolarHBondContact O-N 2.89Å; G72-G74 VanDerWaalsContact C-N 3.27Å; G72-G74 PolarHBondContact O-N 2.77Å; G72-S171 PolarHBondContact N-O 2.69Å; G72-S173 VanDerWaalsContact CA-OG 3.32Å; G72-S173 WeakPolarHBondContact CA-OG 3.12Å; G72-S173 PolarHBondContact N-OG 2.84Å
73	Q	79.4	Confident	90.4	Very high	119 Å²	119	22.1 Å²	22.1	56%	0.556	13%	0.131	S	C	*	.	S	Bend	trans	-84.3	7.8	-179.2	-59.7	-174.6	22.5	0	0	114.6	N70 H154 S173	N70-Q73 WeakPolarHBondContact ND2-CB 3.47Å; N70-Q73 WeakPolarHBondContact O-CG 3.39Å; N70-Q73 PolarHBondContact O-N 2.82Å; N70-Q73 VanDerWaalsContact OD1-C 3.3Å; N70-Q73 WeakPolarHBondContact OD1-CA 3.15Å; N70-Q73 PolarHBondContact OD1-N 3.44Å; Q73-H154 PolarHBondContact NE2-CD2 3.27Å; Q73-S173 PolarHBondContact N-OG 2.99Å
74	G	82.6	Confident	90.3	Very high	17 Å²	17	22.5 Å²	22.5	18%	0.175	13%	0.134	C	C	.	.	S	Bend	trans	109.9	-21.9	167.7	0	0	0	0	0	116.4	N70 G72 R91 S173	N70-G74 PolarHBondContact OD1-N 2.78Å; G72-G74 VanDerWaalsContact C-N 3.27Å; G72-G74 PolarHBondContact O-N 2.77Å; G74-R91 VanDerWaalsContact O-CD 3.32Å; G74-R91 WeakPolarHBondContact O-CD 3.34Å; G74-R91 PolarHBondContact O-NH1 3.35Å; G74-S173 PolarHBondContact N-OG 3.04Å
75	N	87.6	Confident	90.3	Very high	16 Å²	16	22.4 Å²	22.4	9%	0.086	13%	0.133	C	C	.	.			trans	-90.7	140	177.1	-65	-22.2	0	0	0	110.8	D69 N70 R91 V92 G93 V148 F149 S173	D69-N75 WeakPolarHBondContact CA-O 3.18Å; D69-N75 VanDerWaalsContact CB-O 3.31Å; D69-N75 WeakPolarHBondContact CB-O 3.08Å; N70-N75 HydrophobicContact CB-CB 4.45Å; N70-N75 PolarHBondContact N-O 2.9Å; N70-N75 VanDerWaalsContact N-O 3.15Å; N70-N75 WeakPolarHBondContact ND2-CB 3.34Å; N70-N75 PolarHBondContact ND2-N 2.85Å; N70-N75 PolarHBondContact OD1-N 2.81Å; N70-N75 PolarHBondContact OD1-O 3.2Å; N75-R91 VanDerWaalsContact CA-O 3.29Å; N75-R91 WeakPolarHBondContact CA-O 3.14Å; N75-R91 WeakPolarHBondContact CB-O 3.12Å; N75-V92 WeakPolarHBondContact OD1-CA 3.31Å; N75-G93 PolarHBondContact ND2-N 3.3Å; N75-G93 PolarHBondContact OD1-O 3.36Å; N75-V148 PolarHBondContact ND2-O 2.81Å; N75-F149 HydrophobicContact CB-CD2 4.19Å; N75-F149 HydrophobicContact CB-CE2 4.22Å; N75-F149 HydrophobicContact CB-CG 4.47Å; N75-F149 PolarHBondContact ND2-O 3.41Å; N75-S173 VanDerWaalsContact O-CB 3.27Å; N75-S173 WeakPolarHBondContact O-CB 3.34Å; N75-S173 PolarHBondContact O-OG 3.18Å
76	F	91.3	Very high	90.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	157.1	-177.3	70.4	-83.8	0	0	0	112.4	Y67 T68 D69 E78 T89 W90 R91 V102 F149 F174	Y67-F76 HydrophobicContact CE2-CB 4.19Å; Y67-F76 HydrophobicContact CE2-CD2 4.35Å; T68-F76 CarbonylContact O-C 3.52Å; T68-F76 WeakPolarHBondContact O-CA 3.31Å; D69-F76 HydrophobicContact CB-CB 3.91Å; F76-E78 HydrophobicContact CD2-CB 4.14Å; F76-E78 HydrophobicContact CE2-CB 4.21Å; F76-T89 HydrophobicContact CE2-CG2 3.96Å; F76-T89 HydrophobicContact CZ-CG2 4.08Å; F76-W90 WeakPolarHBondContact O-CA 3.27Å; F76-W90 WeakPolarHBondContact O-CB 3.43Å; F76-R91 HydrophobicContact CD1-CB 3.86Å; F76-R91 HydrophobicContact CE1-CB 3.61Å; F76-R91 HydrophobicContact CZ-CB 4.48Å; F76-R91 PolarHBondContact N-O 2.72Å; F76-R91 PolarHBondContact O-N 2.85Å; F76-V102 HydrophobicContact CE1-CG2 4.42Å; F76-V102 HydrophobicContact CZ-CG1 3.97Å; F76-V102 HydrophobicContact CZ-CG2 4.41Å; F76-F149 VanDerWaalsContact C-CE2 3.5Å; F76-F174 HydrophobicContact CB-CB 4.38Å; F76-F174 HydrophobicContact CD1-CB 3.66Å; F76-F174 HydrophobicContact CD1-CG 4.34Å; F76-F174 HydrophobicContact CD2-CB 3.61Å; F76-F174 HydrophobicContact CD2-CD1 4.18Å; F76-F174 AromaticContact CD2-CG 3.94Å; F76-F174 HydrophobicContact CD2-CG 3.94Å; F76-F174 HydrophobicContact CE1-CB 3.71Å; F76-F174 AromaticContact CE1-CD2 3.75Å; F76-F174 HydrophobicContact CE1-CD2 3.75Å; F76-F174 AromaticContact CE1-CG 3.9Å; F76-F174 HydrophobicContact CE1-CG 3.9Å; F76-F174 HydrophobicContact CE2-CB 3.65Å; F76-F174 AromaticContact CE2-CD1 3.66Å; F76-F174 HydrophobicContact CE2-CD1 3.66Å; F76-F174 AromaticContact CE2-CD2 3.86Å; F76-F174 HydrophobicContact CE2-CD2 3.86Å; F76-F174 HydrophobicContact CE2-CE1 4.21Å; F76-F174 HydrophobicContact CE2-CE2 4.39Å; F76-F174 AromaticContact CE2-CG 3.46Å; F76-F174 HydrophobicContact CE2-CG 3.46Å; F76-F174 VanDerWaalsContact CE2-CG 3.46Å; F76-F174 HydrophobicContact CG-CB 3.61Å; F76-F174 HydrophobicContact CG-CG 4.35Å; F76-F174 HydrophobicContact CZ-CB 3.7Å; F76-F174 HydrophobicContact CZ-CD1 4.04Å; F76-F174 AromaticContact CZ-CD2 3.33Å; F76-F174 HydrophobicContact CZ-CD2 3.33Å; F76-F174 HydrophobicContact CZ-CE1 4.5Å; F76-F174 AromaticContact CZ-CE2 3.87Å; F76-F174 HydrophobicContact CZ-CE2 3.87Å; F76-F174 AromaticContact CZ-CG 3.43Å; F76-F174 HydrophobicContact CZ-CG 3.43Å; F76-F174 VanDerWaalsContact CZ-CG 3.43Å; F76-F174 HydrophobicContact CZ-CZ 4.42Å
77	Y	94.4	Very high	90.3	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.7	163.2	-68.4	-68.1	0	0	0	109.3	W44 Y67 T68 L88 W90 V92 L122 H124 I129 F149	W44-Y77 HydrophobicContact CZ3-CD2 4.24Å; W44-Y77 HydrophobicContact CZ3-CE2 4.47Å; Y67-Y77 WeakPolarHBondContact CA-O 3.47Å; T68-Y77 HydrophobicContact CG2-CD2 4.28Å; T68-Y77 PolarHBondContact N-O 2.86Å; T68-Y77 VanDerWaalsContact N-O 3.07Å; T68-Y77 PolarHBondContact O-N 2.79Å; Y77-L88 HydrophobicContact CD1-CD1 4.26Å; Y77-W90 HydrophobicContact CD1-CB 3.45Å; Y77-W90 VanDerWaalsContact CD1-CB 3.45Å; Y77-W90 HydrophobicContact CD1-CG 4.22Å; Y77-W90 HydrophobicContact CE1-CB 3.69Å; Y77-W90 HydrophobicContact CE1-CG 4.01Å; Y77-W90 HydrophobicContact CG-CB 4.47Å; Y77-V92 HydrophobicContact CE1-CG1 4.35Å; Y77-V92 VanDerWaalsContact OH-CG1 3.29Å; Y77-V92 WeakPolarHBondContact OH-CG1 3.39Å; Y77-L122 HydrophobicContact CD1-CD1 4.44Å; Y77-L122 HydrophobicContact CD1-CD2 3.82Å; Y77-L122 HydrophobicContact CD2-CD2 4.12Å; Y77-L122 HydrophobicContact CE1-CD1 4.49Å; Y77-L122 HydrophobicContact CE1-CD2 4.27Å; Y77-L122 HydrophobicContact CE2-CD2 4.5Å; Y77-L122 HydrophobicContact CG-CD2 3.77Å; Y77-H124 AromaticContact CZ-ND1 3.92Å; Y77-H124 PolarHBondContact OH-CE1 3.2Å; Y77-H124 VanDerWaalsContact OH-CE1 3.27Å; Y77-H124 PolarHBondContact OH-ND1 3.03Å; Y77-I129 HydrophobicContact CE1-CD1 3.77Å; Y77-F149 AromaticContact CD2-CD2 3.6Å; Y77-F149 HydrophobicContact CD2-CD2 3.6Å; Y77-F149 AromaticContact CD2-CE2 3.2Å; Y77-F149 HydrophobicContact CD2-CE2 3.2Å; Y77-F149 AromaticContact CD2-CZ 3.93Å; Y77-F149 HydrophobicContact CD2-CZ 3.93Å; Y77-F149 AromaticContact CE2-CD2 3.09Å; Y77-F149 HydrophobicContact CE2-CD2 3.09Å; Y77-F149 AromaticContact CE2-CE2 3.27Å; Y77-F149 HydrophobicContact CE2-CE2 3.27Å; Y77-F149 AromaticContact CE2-CG 3.98Å; Y77-F149 HydrophobicContact CE2-CG 3.98Å; Y77-F149 HydrophobicContact CE2-CZ 4.25Å; Y77-F149 HydrophobicContact CG-CE2 4.02Å; Y77-F149 AromaticContact CZ-CD2 3.74Å
78	E	95.2	Very high	90.3	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.6	175.9	177.2	-89.7	128.4	0	0	107.9	L64 V66 Y67 F76 S80 L88 T89 L180	L64-E78 HydrophobicContact CD1-CG 3.95Å; V66-E78 WeakPolarHBondContact O-CA 3.15Å; Y67-E78 HydrophobicContact CD2-CB 4.23Å; F76-E78 HydrophobicContact CD2-CB 4.14Å; F76-E78 HydrophobicContact CE2-CB 4.21Å; E78-S80 WeakPolarHBondContact OE1-CB 3.38Å; E78-S80 PolarHBondContact OE1-N 3.01Å; E78-S80 PolarHBondContact OE1-OG 2Å; E78-L88 CarbonylContact O-C 3.33Å; E78-L88 WeakPolarHBondContact O-CA 3.3Å; E78-T89 PolarHBondContact N-O 2.94Å; E78-T89 PolarHBondContact O-N 2.8Å; E78-T89 WeakPolarHBondContact OE2-CB 3.37Å; E78-T89 PolarHBondContact OE2-OG1 3.42Å; E78-L180 HydrophobicContact CG-CD1 4.16Å
79	I	96.8	Very high	90.3	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.7	170.4	-56.3	176	0	0	0	107	L65 V66 V86 E87 L88 V120 L122	L65-I79 WeakPolarHBondContact CA-O 3.37Å; L65-I79 HydrophobicContact CB-CG2 4.34Å; L65-I79 VanDerWaalsContact CB-O 3.3Å; L65-I79 WeakPolarHBondContact CB-O 3.44Å; L65-I79 HydrophobicContact CD2-CG2 3.99Å; L65-I79 PolarHBondContact N-O 2.83Å; V66-I79 HydrophobicContact CB-CB 4.14Å; V66-I79 HydrophobicContact CB-CD1 4.27Å; V66-I79 HydrophobicContact CB-CG1 4.39Å; V66-I79 HydrophobicContact CG2-CD1 4.36Å; V66-I79 PolarHBondContact N-O 2.67Å; V66-I79 PolarHBondContact O-N 3Å; I79-V86 HydrophobicContact CG2-CG1 3.56Å; I79-E87 CarbonylContact C-O 3.59Å; I79-E87 VanDerWaalsContact CA-O 3.31Å; I79-E87 WeakPolarHBondContact CA-O 3.33Å; I79-L88 HydrophobicContact CG1-CD1 3.77Å; I79-V120 HydrophobicContact CG2-CG1 4.23Å; I79-L122 HydrophobicContact CD1-CB 4.15Å
80	S	95.3	Very high	90.4	Very high	8 Å²	8	24.1 Å²	24.1	6%	0.056	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	165.7	175.9	53.1	0	0	0	0	112.4	G63 E78 V86 E87	G63-S80 CarbonylContact O-C 3.59Å; G63-S80 VanDerWaalsContact O-CA 3.3Å; G63-S80 WeakPolarHBondContact O-CA 3.4Å; G63-S80 WeakPolarHBondContact O-CB 2.98Å; E78-S80 WeakPolarHBondContact OE1-CB 3.38Å; E78-S80 PolarHBondContact OE1-N 3.01Å; E78-S80 PolarHBondContact OE1-OG 2Å; S80-V86 WeakPolarHBondContact O-CA 3.28Å; S80-E87 PolarHBondContact N-O 2.81Å; S80-E87 PolarHBondContact O-N 2.77Å
81	L	94.4	Very high	90.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.3	161.6	-60.8	-178.1	0	0	0	108.7	N62 G63 C85 V86 I112 F183	N62-L81 CarbonylContact C-O 3.45Å; N62-L81 WeakPolarHBondContact CA-O 3.42Å; G63-L81 PolarHBondContact N-O 2.78Å; G63-L81 PolarHBondContact O-N 3.36Å; L81-C85 WeakPolarHBondContact CA-O 3.29Å; L81-V86 HydrophobicContact CD2-CG2 4Å; L81-I112 HydrophobicContact CD1-CG2 4.45Å; L81-I112 HydrophobicContact CD2-CB 4.31Å; L81-I112 HydrophobicContact CD2-CD1 4.31Å; L81-I112 HydrophobicContact CD2-CG2 4.34Å; L81-F183 HydrophobicContact CD1-CD2 4.05Å; L81-F183 HydrophobicContact CD1-CE2 3.72Å
82	H	91.2	Very high	90.9	Very high	77 Å²	77	24.6 Å²	24.6	36%	0.356	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	116	170	-176.5	-125.7	0	0	0	109.3	S61 N62 S84 C85 E87 R106	S61-H82 CarbonylContact O-C 3.49Å; N62-H82 WeakPolarHBondContact OD1-CA 3.42Å; H82-S84 PolarHBondContact O-N 3.01Å; H82-C85 PolarHBondContact N-O 2.68Å; H82-C85 PolarHBondContact O-N 2.83Å; H82-C85 VanDerWaalsContact O-N 3.1Å; H82-E87 VanDerWaalsContact CB-OE2 3.28Å; H82-E87 WeakPolarHBondContact CB-OE2 2.98Å; H82-E87 IonicContact CG-OE2 3.91Å; H82-E87 IonicContact ND1-OE2 3.82Å; H82-E87 PolarHBondContact ND1-OE2 3.23Å; H82-R106 PolarHBondContact O-NH2 2.93Å
83	Q	90.8	Very high	91	Very high	114 Å²	114	23.4 Å²	23.4	53%	0.533	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.4	-172.4	-50.3	168.9	-34.2	0	0	112.8	S61 N62 C85 K111	S61-Q83 WeakPolarHBondContact O-CA 3.04Å; S61-Q83 PolarHBondContact O-N 2.84Å; N62-Q83 PolarHBondContact OD1-N 2.91Å; Q83-C85 PolarHBondContact O-N 2.91Å; Q83-K111 PolarHBondContact O-NZ 2.89Å
84	S	89.6	Confident	90.6	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.07	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	9.8	178.1	-44.7	0	0	0	0	115.7	S61 H82 I112 N113	S61-S84 PolarHBondContact O-N 3.06Å; H82-S84 PolarHBondContact O-N 3.01Å; S84-I112 PolarHBondContact O-N 3.16Å; S84-N113 VanDerWaalsContact CB-CG 3.47Å; S84-N113 VanDerWaalsContact CB-OD1 3.27Å; S84-N113 WeakPolarHBondContact CB-OD1 3.3Å; S84-N113 PolarHBondContact OG-ND2 2.81Å; S84-N113 PolarHBondContact OG-OD1 2.83Å
85	C	94.5	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152.7	167	-54.6	0	0	0	0	110.4	L81 H82 Q83 R106 C108 K111	L81-C85 WeakPolarHBondContact CA-O 3.29Å; H82-C85 PolarHBondContact N-O 2.68Å; H82-C85 PolarHBondContact O-N 2.83Å; H82-C85 VanDerWaalsContact O-N 3.1Å; Q83-C85 PolarHBondContact O-N 2.91Å; C85-R106 HydrophobicContact CB-CG 3.94Å; C85-C108 HydrophobicContact CB-CB 3.96Å; C85-C108 WeakPolarHBondContact CB-SG 3.46Å; C85-C108 WeakPolarHBondContact SG-CA 3.49Å; C85-C108 WeakPolarHBondContact SG-CB 3.49Å; C85-C108 CovalentContact SG-SG 2.03Å; C85-C108 PolarHBondContact SG-SG 2.8Å; C85-K111 PolarHBondContact SG-NZ 2.85Å
86	V	95.9	Very high	87.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127	170.3	-172.1	0	0	0	0	109.2	I79 S80 L81 R106 N107 I112 V120 L131 V133	I79-V86 HydrophobicContact CG2-CG1 3.56Å; S80-V86 WeakPolarHBondContact O-CA 3.28Å; L81-V86 HydrophobicContact CD2-CG2 4Å; V86-R106 CarbonylContact O-C 3.13Å; V86-R106 WeakPolarHBondContact O-CA 3.26Å; V86-N107 PolarHBondContact N-O 2.77Å; V86-N107 VanDerWaalsContact N-O 3.09Å; V86-N107 PolarHBondContact O-N 2.85Å; V86-I112 HydrophobicContact CG2-CD1 3.13Å; V86-I112 HydrophobicContact CG2-CG1 4.07Å; V86-V120 HydrophobicContact CG1-CG1 3.96Å; V86-V120 HydrophobicContact CG2-CG2 4.17Å; V86-L131 HydrophobicContact CB-CD2 4.25Å; V86-L131 HydrophobicContact CG1-CD1 4.09Å; V86-L131 HydrophobicContact CG1-CD2 3.92Å; V86-L131 HydrophobicContact CG1-CG 4.48Å; V86-V133 HydrophobicContact CB-CG2 3.77Å; V86-V133 HydrophobicContact CG1-CG2 4.36Å; V86-V133 HydrophobicContact CG2-CG1 4.33Å; V86-V133 HydrophobicContact CG2-CG2 3.61Å
87	E	94.9	Very high	85.5	Confident	32 Å²	32	46 Å²	46	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.2	178.9	-164.3	162.1	166.4	0	0	108.9	I79 S80 H82 N104 L105 R106	I79-E87 CarbonylContact C-O 3.59Å; I79-E87 VanDerWaalsContact CA-O 3.31Å; I79-E87 WeakPolarHBondContact CA-O 3.33Å; S80-E87 PolarHBondContact N-O 2.81Å; S80-E87 PolarHBondContact O-N 2.77Å; H82-E87 VanDerWaalsContact CB-OE2 3.28Å; H82-E87 WeakPolarHBondContact CB-OE2 2.98Å; H82-E87 IonicContact CG-OE2 3.91Å; H82-E87 IonicContact ND1-OE2 3.82Å; H82-E87 PolarHBondContact ND1-OE2 3.23Å; E87-N104 WeakPolarHBondContact CG-ND2 3.14Å; E87-N104 PolarHBondContact OE1-ND2 2.81Å; E87-N104 PolarHBondContact OE1-OD1 3.05Å; E87-L105 CarbonylContact C-O 3.58Å; E87-R106 HydrophobicContact CB-CG 4.28Å; E87-R106 HydrophobicContact CG-CB 4.32Å; E87-R106 HydrophobicContact CG-CG 4.29Å; E87-R106 IonicContact OE2-NE 3.8Å
88	L	96.1	Very high	82.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.6	175.3	172.3	70.9	0	0	0	107.9	Y77 E78 I79 W90 N104 L105 L122 I129 L131	Y77-L88 HydrophobicContact CD1-CD1 4.26Å; E78-L88 CarbonylContact O-C 3.33Å; E78-L88 WeakPolarHBondContact O-CA 3.3Å; I79-L88 HydrophobicContact CG1-CD1 3.77Å; L88-W90 HydrophobicContact CD2-CE3 3.92Å; L88-W90 HydrophobicContact CD2-CZ3 4.08Å; L88-W90 HydrophobicContact CG-CE3 3.73Å; L88-W90 HydrophobicContact CG-CZ3 4.15Å; L88-W90 WeakPolarHBondContact O-CZ3 3.3Å; L88-N104 CarbonylContact O-C 3.59Å; L88-N104 VanDerWaalsContact O-CA 3.29Å; L88-N104 WeakPolarHBondContact O-CA 3.46Å; L88-L105 HydrophobicContact CB-CB 4.44Å; L88-L105 PolarHBondContact N-O 2.75Å; L88-L105 PolarHBondContact O-N 2.7Å; L88-L122 HydrophobicContact CD1-CD1 3.95Å; L88-L122 HydrophobicContact CD2-CD1 3.58Å; L88-L122 HydrophobicContact CG-CD1 4.44Å; L88-I129 HydrophobicContact CD2-CG2 3.73Å; L88-L131 HydrophobicContact CB-CB 4.49Å; L88-L131 HydrophobicContact CB-CD1 4.38Å; L88-L131 HydrophobicContact CB-CD2 3.96Å; L88-L131 HydrophobicContact CD2-CB 4.24Å
89	T	93.8	Very high	80.5	Confident	13 Å²	13	56.3 Å²	56.3	8%	0.08	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.8	168.8	-48	0	0	0	0	109.2	F76 E78 V102 H103 N104 F174	F76-T89 HydrophobicContact CE2-CG2 3.96Å; F76-T89 HydrophobicContact CZ-CG2 4.08Å; E78-T89 PolarHBondContact N-O 2.94Å; E78-T89 PolarHBondContact O-N 2.8Å; E78-T89 WeakPolarHBondContact OE2-CB 3.37Å; E78-T89 PolarHBondContact OE2-OG1 3.42Å; T89-V102 HydrophobicContact CG2-CG1 3.34Å; T89-H103 CarbonylContact C-O 3.52Å; T89-H103 VanDerWaalsContact CA-O 3.28Å; T89-H103 WeakPolarHBondContact CA-O 3.34Å; T89-H103 WeakPolarHBondContact CG2-O 3.36Å; T89-N104 PolarHBondContact OG1-ND2 3Å; T89-F174 HydrophobicContact CG2-CZ 4.41Å
90	W	92.1	Very high	78.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162.6	-179.6	75.6	96.5	0	0	0	113.5	F76 Y77 L88 V102 H103 L105 I129 K140 L142	F76-W90 WeakPolarHBondContact O-CA 3.27Å; F76-W90 WeakPolarHBondContact O-CB 3.43Å; Y77-W90 HydrophobicContact CD1-CB 3.45Å; Y77-W90 VanDerWaalsContact CD1-CB 3.45Å; Y77-W90 HydrophobicContact CD1-CG 4.22Å; Y77-W90 HydrophobicContact CE1-CB 3.69Å; Y77-W90 HydrophobicContact CE1-CG 4.01Å; Y77-W90 HydrophobicContact CG-CB 4.47Å; L88-W90 HydrophobicContact CD2-CE3 3.92Å; L88-W90 HydrophobicContact CD2-CZ3 4.08Å; L88-W90 HydrophobicContact CG-CE3 3.73Å; L88-W90 HydrophobicContact CG-CZ3 4.15Å; L88-W90 WeakPolarHBondContact O-CZ3 3.3Å; W90-V102 WeakPolarHBondContact O-CA 3.24Å; W90-H103 HydrophobicContact CD2-CB 3.68Å; W90-H103 AromaticContact CE2-CD2 3.93Å; W90-H103 AromaticContact CE2-CG 3.99Å; W90-H103 HydrophobicContact CE3-CB 3.88Å; W90-H103 HydrophobicContact CG-CB 4.41Å; W90-H103 HydrophobicContact CH2-CB 3.6Å; W90-H103 HydrophobicContact CZ2-CB 3.36Å; W90-H103 HydrophobicContact CZ3-CB 3.85Å; W90-H103 PolarHBondContact N-O 2.79Å; W90-H103 AromaticContact NE1-CD2 3.52Å; W90-H103 PolarHBondContact O-N 2.93Å; W90-L105 HydrophobicContact CH2-CB 4.2Å; W90-L105 HydrophobicContact CH2-CD1 3.39Å; W90-L105 HydrophobicContact CH2-CG 3.52Å; W90-L105 HydrophobicContact CZ2-CD1 4.39Å; W90-L105 HydrophobicContact CZ3-CB 3.8Å; W90-L105 HydrophobicContact CZ3-CD1 3.73Å; W90-L105 HydrophobicContact CZ3-CG 3.66Å; W90-I129 HydrophobicContact CD2-CD1 4.39Å; W90-I129 HydrophobicContact CD2-CG2 4.5Å; W90-I129 HydrophobicContact CG-CD1 4.17Å; W90-I129 HydrophobicContact CZ2-CB 4.04Å; W90-I129 HydrophobicContact CZ2-CD1 4.48Å; W90-I129 HydrophobicContact CZ2-CG1 4.41Å; W90-I129 HydrophobicContact CZ2-CG2 4.33Å; W90-I129 VanDerWaalsContact NE1-CD1 3.29Å; W90-K140 HydrophobicContact CH2-CB 3.86Å; W90-K140 HydrophobicContact CH2-CD 3.65Å; W90-K140 HydrophobicContact CH2-CG 4.32Å; W90-K140 HydrophobicContact CZ2-CB 4.03Å; W90-K140 HydrophobicContact CZ2-CD 3.82Å; W90-K140 HydrophobicContact CZ2-CG 4.31Å; W90-L142 HydrophobicContact CZ2-CD2 4.09Å
91	R	87.8	Confident	76.8	Confident	56 Å²	56	63.1 Å²	63.1	21%	0.211	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.8	163.6	-179.7	178.8	-49.8	129.8	-13.5	108.6	G74 N75 F76 G101	G74-R91 VanDerWaalsContact O-CD 3.32Å; G74-R91 WeakPolarHBondContact O-CD 3.34Å; G74-R91 PolarHBondContact O-NH1 3.35Å; N75-R91 VanDerWaalsContact CA-O 3.29Å; N75-R91 WeakPolarHBondContact CA-O 3.14Å; N75-R91 WeakPolarHBondContact CB-O 3.12Å; F76-R91 HydrophobicContact CD1-CB 3.86Å; F76-R91 HydrophobicContact CE1-CB 3.61Å; F76-R91 HydrophobicContact CZ-CB 4.48Å; F76-R91 PolarHBondContact N-O 2.72Å; F76-R91 PolarHBondContact O-N 2.85Å; R91-G101 VanDerWaalsContact CG-O 3.29Å; R91-G101 WeakPolarHBondContact CG-O 3.18Å
92	V	87.2	Confident	76.2	Confident	6 Å²	6	65.4 Å²	65.4	4%	0.036	33%	0.334	C	S	.	.			trans	-138.8	155.6	174	-69.5	0	0	0	0	110.6	N75 Y77 I129 L142 Q144 F149	N75-V92 WeakPolarHBondContact OD1-CA 3.31Å; Y77-V92 HydrophobicContact CE1-CG1 4.35Å; Y77-V92 VanDerWaalsContact OH-CG1 3.29Å; Y77-V92 WeakPolarHBondContact OH-CG1 3.39Å; V92-I129 HydrophobicContact CG2-CD1 4.33Å; V92-L142 HydrophobicContact CG2-CD1 3.42Å; V92-L142 VanDerWaalsContact CG2-CD1 3.42Å; V92-Q144 PolarHBondContact O-NE2 3.01Å; V92-F149 HydrophobicContact CG1-CB 4.44Å; V92-F149 HydrophobicContact CG1-CD2 3.75Å
93	G	80.1	Confident	76	Confident	6 Å²	6	63.4 Å²	63.4	6%	0.062	33%	0.325	C	S	.	.	S	Bend	trans	83.5	173.8	-179.9	0	0	0	0	0	115.1	N75 D146 V148	N75-G93 PolarHBondContact ND2-N 3.3Å; N75-G93 PolarHBondContact OD1-O 3.36Å; G93-D146 WeakPolarHBondContact CA-O 3.17Å; G93-D146 WeakPolarHBondContact CA-OD2 3.01Å; G93-V148 PolarHBondContact N-O 3.49Å
94	R	71.3	Confident	76	Confident	222 Å²	222	61.4 Å²	61.4	84%	0.838	32%	0.317	S	S	*	.			trans	-69.3	134.9	177.8	-77.3	176	-172.6	-170.9	2.2	113.1	Q96 D146	R94-Q96 PolarHBondContact O-N 2.75Å; R94-D146 WeakPolarHBondContact CG-OD2 3.43Å; R94-D146 PolarHBondContact N-OD2 2.76Å
95	F	56.9	Low	76.1	Confident	144 Å²	144	62.1 Å²	62.1	63%	0.632	32%	0.32	S	S	*	.			trans	-62.5	114.6	175.5	-175.8	-104.4	0	0	0	111.8	V97	F95-V97 HydrophobicContact CE1-CG2 4.35Å
96	Q	52.5	Low	76.1	Confident	138 Å²	138	66.2 Å²	66.2	65%	0.645	34%	0.336	S	S	*	.			trans	-98.3	129.8	164.4	-72.7	-174.1	-13.5	0	0	108.8	R94 D98 S99	R94-Q96 PolarHBondContact O-N 2.75Å; Q96-D98 PolarHBondContact O-N 3.08Å; Q96-S99 PolarHBondContact O-N 3.49Å
97	V	45	Very low	76	Confident	122 Å²	122	66.4 Å²	66.4	74%	0.739	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-18	-165.1	177.8	0	0	0	0	114.5	F95	F95-V97 HydrophobicContact CE1-CG2 4.35Å
98	D	39.3	Very low	75.9	Confident	162 Å²	162	67.5 Å²	67.5	87%	0.866	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	10.5	-171.5	-63.8	-28.8	0	0	0	115.4	Q96	Q96-D98 PolarHBondContact O-N 3.08Å
99	S	45	Very low	75.7	Confident	66 Å²	66	73.7 Å²	73.7	46%	0.462	38%	0.376	S	S	.	.	S	Bend	trans	-136.8	126	175.6	60.2	0	0	0	0	111.5	Q96 G101	Q96-S99 PolarHBondContact O-N 3.49Å; S99-G101 PolarHBondContact O-N 3.03Å
100	T	49.3	Very low	75.5	Confident	136 Å²	136	74.2 Å²	74.2	83%	0.834	38%	0.379	S	S	*	.			trans	-68.2	77.7	168.8	52.3	0	0	0	0	108	V102	T100-V102 PolarHBondContact O-N 2.77Å
101	G	65.6	Low	75.5	Confident	18 Å²	18	79 Å²	79	19%	0.186	40%	0.4	C	S	.	.			trans	-68.3	29.8	-168.7	0	0	0	0	0	115.8	R91 S99	R91-G101 VanDerWaalsContact CG-O 3.29Å; R91-G101 WeakPolarHBondContact CG-O 3.18Å; S99-G101 PolarHBondContact O-N 3.03Å
102	V	81.2	Confident	75.6	Confident	51 Å²	51	76.3 Å²	76.3	31%	0.309	39%	0.39	S	S	.	.			trans	-90.4	129.1	170.2	-175.3	0	0	0	0	108.1	F76 T89 W90 T100	F76-V102 HydrophobicContact CE1-CG2 4.42Å; F76-V102 HydrophobicContact CZ-CG1 3.97Å; F76-V102 HydrophobicContact CZ-CG2 4.41Å; T89-V102 HydrophobicContact CG2-CG1 3.34Å; W90-V102 WeakPolarHBondContact O-CA 3.24Å; T100-V102 PolarHBondContact O-N 2.77Å
103	H	88.1	Confident	75.8	Confident	36 Å²	36	79 Å²	79	17%	0.167	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153.2	176.4	-59.1	-54.3	0	0	0	110.1	T89 W90 K140 L142	T89-H103 CarbonylContact C-O 3.52Å; T89-H103 VanDerWaalsContact CA-O 3.28Å; T89-H103 WeakPolarHBondContact CA-O 3.34Å; T89-H103 WeakPolarHBondContact CG2-O 3.36Å; W90-H103 HydrophobicContact CD2-CB 3.68Å; W90-H103 AromaticContact CE2-CD2 3.93Å; W90-H103 AromaticContact CE2-CG 3.99Å; W90-H103 HydrophobicContact CE3-CB 3.88Å; W90-H103 HydrophobicContact CG-CB 4.41Å; W90-H103 HydrophobicContact CH2-CB 3.6Å; W90-H103 HydrophobicContact CZ2-CB 3.36Å; W90-H103 HydrophobicContact CZ3-CB 3.85Å; W90-H103 PolarHBondContact N-O 2.79Å; W90-H103 AromaticContact NE1-CD2 3.52Å; W90-H103 PolarHBondContact O-N 2.93Å; H103-K140 HydrophobicContact CB-CD 4.32Å; H103-K140 PolarHBondContact ND1-NZ 2.75Å; H103-L142 VanDerWaalsContact CD2-CD2 3.44Å; H103-L142 WeakPolarHBondContact CD2-CD2 2.88Å; H103-L142 WeakPolarHBondContact NE2-CD2 3.35Å
104	N	89.9	Confident	76.4	Confident	71 Å²	71	82.2 Å²	82.2	38%	0.38	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.4	178.5	-174.3	-75.2	0	0	0	109.7	E87 L88 T89	E87-N104 WeakPolarHBondContact CG-ND2 3.14Å; E87-N104 PolarHBondContact OE1-ND2 2.81Å; E87-N104 PolarHBondContact OE1-OD1 3.05Å; L88-N104 CarbonylContact O-C 3.59Å; L88-N104 VanDerWaalsContact O-CA 3.29Å; L88-N104 WeakPolarHBondContact O-CA 3.46Å; T89-N104 PolarHBondContact OG1-ND2 3Å
105	L	92.1	Very high	77.3	Confident	25 Å²	25	72.9 Å²	72.9	13%	0.131	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.3	172.2	-86	169.1	0	0	0	108.2	E87 L88 W90 V138 K140	E87-L105 CarbonylContact C-O 3.58Å; L88-L105 HydrophobicContact CB-CB 4.44Å; L88-L105 PolarHBondContact N-O 2.75Å; L88-L105 PolarHBondContact O-N 2.7Å; W90-L105 HydrophobicContact CH2-CB 4.2Å; W90-L105 HydrophobicContact CH2-CD1 3.39Å; W90-L105 HydrophobicContact CH2-CG 3.52Å; W90-L105 HydrophobicContact CZ2-CD1 4.39Å; W90-L105 HydrophobicContact CZ3-CB 3.8Å; W90-L105 HydrophobicContact CZ3-CD1 3.73Å; W90-L105 HydrophobicContact CZ3-CG 3.66Å; L105-V138 HydrophobicContact CB-CG2 4.4Å; L105-V138 HydrophobicContact CD2-CB 4.46Å; L105-V138 HydrophobicContact CD2-CG2 4.37Å; L105-K140 HydrophobicContact CD1-CB 3.75Å; L105-K140 HydrophobicContact CD2-CB 4.17Å; L105-K140 HydrophobicContact CG-CB 4.1Å
106	R	93.2	Very high	79	Confident	86 Å²	86	74.5 Å²	74.5	33%	0.325	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.1	178	-164.8	175.5	-179.6	-162.8	-1.8	110.3	H82 C85 V86 E87	H82-R106 PolarHBondContact O-NH2 2.93Å; C85-R106 HydrophobicContact CB-CG 3.94Å; V86-R106 CarbonylContact O-C 3.13Å; V86-R106 WeakPolarHBondContact O-CA 3.26Å; E87-R106 HydrophobicContact CB-CG 4.28Å; E87-R106 HydrophobicContact CG-CB 4.32Å; E87-R106 HydrophobicContact CG-CG 4.29Å; E87-R106 IonicContact OE2-NE 3.8Å
107	N	94	Very high	81	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.027	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.2	172.6	-169.2	-15.6	0	0	0	109.7	V86 H109 L131 V133 H136 V138	V86-N107 PolarHBondContact N-O 2.77Å; V86-N107 VanDerWaalsContact N-O 3.09Å; V86-N107 PolarHBondContact O-N 2.85Å; N107-H109 PolarHBondContact OD1-N 3.14Å; N107-L131 HydrophobicContact CB-CD2 4Å; N107-V133 HydrophobicContact CB-CG2 3.93Å; N107-H136 PolarHBondContact ND2-O 3.39Å; N107-V138 HydrophobicContact CB-CG1 4.29Å; N107-V138 HydrophobicContact CB-CG2 3.92Å
108	C	93.6	Very high	83.5	Confident	54 Å²	54	66.3 Å²	66.3	37%	0.365	35%	0.345	S	S	.	.			trans	-107.4	4.2	-178.8	-74.7	0	0	0	0	113.6	C85 V110	C85-C108 HydrophobicContact CB-CB 3.96Å; C85-C108 WeakPolarHBondContact CB-SG 3.46Å; C85-C108 WeakPolarHBondContact SG-CA 3.49Å; C85-C108 WeakPolarHBondContact SG-CB 3.49Å; C85-C108 CovalentContact SG-SG 2.03Å; C85-C108 PolarHBondContact SG-SG 2.8Å; C108-V110 VanDerWaalsContact C-N 3.28Å; C108-V110 PolarHBondContact O-N 2.93Å
109	H	91.9	Very high	86.2	Confident	131 Å²	131	62.6 Å²	62.6	61%	0.606	32%	0.321	S	S	*	.	S	Bend	trans	-66.9	-34.3	-174.7	-163.9	93.4	0	0	0	111.9	N107 H136	N107-H109 PolarHBondContact OD1-N 3.14Å; H109-H136 HydrophobicContact CB-CB 3.99Å; H109-H136 AromaticContact CD2-CD2 3.16Å; H109-H136 PolarHBondContact CD2-CD2 2.88Å; H109-H136 AromaticContact CD2-CE1 3.18Å; H109-H136 PolarHBondContact CD2-CE1 2.84Å; H109-H136 AromaticContact CD2-CG 3.42Å; H109-H136 VanDerWaalsContact CD2-CG 3.42Å; H109-H136 AromaticContact CD2-ND1 3.42Å; H109-H136 PolarHBondContact CD2-ND1 2.79Å; H109-H136 AromaticContact CD2-NE2 3.03Å; H109-H136 PolarHBondContact CD2-NE2 3.33Å; H109-H136 AromaticContact CE1-CD2 3.92Å; H109-H136 AromaticContact CE1-NE2 3.77Å; H109-H136 AromaticContact CG-CD2 3.36Å; H109-H136 AromaticContact CG-CG 3.63Å; H109-H136 AromaticContact CG-NE2 3.74Å; H109-H136 AromaticContact ND1-CD2 3.85Å; H109-H136 AromaticContact NE2-CD2 3.56Å; H109-H136 AromaticContact NE2-CE1 3.54Å; H109-H136 AromaticContact NE2-NE2 3.07Å; H109-H136 PolarHBondContact NE2-NE2 3.16Å
110	V	88.9	Confident	88.6	Confident	23 Å²	23	59.5 Å²	59.5	14%	0.139	30%	0.299	C	S	.	.	S	Bend	trans	-112.3	126	174.2	-174.7	0	0	0	0	108.8	C108 H118 V133	C108-V110 VanDerWaalsContact C-N 3.28Å; C108-V110 PolarHBondContact O-N 2.93Å; V110-H118 VanDerWaalsContact CG1-CE1 3.42Å; V110-H118 WeakPolarHBondContact CG1-CE1 3.34Å; V110-H118 WeakPolarHBondContact CG1-ND1 3.44Å; V110-V133 HydrophobicContact CB-CG1 3.94Å; V110-V133 HydrophobicContact CG1-CG1 4.45Å; V110-V133 HydrophobicContact CG2-CG1 4.45Å
111	K	92.4	Very high	90.9	Very high	101 Å²	101	53 Å²	53	44%	0.439	26%	0.259	S	S	.	.			trans	-89.5	117	174.4	-67.2	-62.3	-167.4	173.5	0	109.1	Q83 C85	Q83-K111 PolarHBondContact O-NZ 2.89Å; C85-K111 PolarHBondContact SG-NZ 2.85Å
112	I	91.2	Very high	92.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-83.4	-14.9	-169.4	-65.5	-161.1	0	0	0	113.9	I56 S58 L81 S84 V86 D114 H118 V120 V133	I56-I112 HydrophobicContact CD1-CD1 3.79Å; I56-I112 HydrophobicContact CD1-CG2 3.63Å; I56-I112 HydrophobicContact CG1-CD1 4.38Å; I56-I112 HydrophobicContact CG1-CG2 3.95Å; S58-I112 VanDerWaalsContact O-O 3.11Å; L81-I112 HydrophobicContact CD1-CG2 4.45Å; L81-I112 HydrophobicContact CD2-CB 4.31Å; L81-I112 HydrophobicContact CD2-CD1 4.31Å; L81-I112 HydrophobicContact CD2-CG2 4.34Å; S84-I112 PolarHBondContact O-N 3.16Å; V86-I112 HydrophobicContact CG2-CD1 3.13Å; V86-I112 HydrophobicContact CG2-CG1 4.07Å; I112-D114 PolarHBondContact O-N 3.02Å; I112-H118 HydrophobicContact CD1-CB 4.07Å; I112-H118 HydrophobicContact CG1-CB 4.25Å; I112-V120 HydrophobicContact CD1-CG2 3.95Å; I112-V133 HydrophobicContact CD1-CG1 3.84Å; I112-V133 HydrophobicContact CG1-CG1 4.27Å
113	N	90.9	Very high	92.9	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	20.9	-175.1	71.5	-40.5	0	0	0	114	S58 S84 G115	S58-N113 CarbonylContact O-C 3.59Å; S58-N113 VanDerWaalsContact O-C 3.28Å; S58-N113 VanDerWaalsContact O-CA 3.3Å; S58-N113 WeakPolarHBondContact O-CA 3.42Å; S84-N113 VanDerWaalsContact CB-CG 3.47Å; S84-N113 VanDerWaalsContact CB-OD1 3.27Å; S84-N113 WeakPolarHBondContact CB-OD1 3.3Å; S84-N113 PolarHBondContact OG-ND2 2.81Å; S84-N113 PolarHBondContact OG-OD1 2.83Å; N113-G115 VanDerWaalsContact C-N 3.32Å
114	D	92.3	Very high	92.9	Very high	75 Å²	75	50.2 Å²	50.2	40%	0.401	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.9	-176.7	74.3	-7.9	0	0	0	113.3	I112 R116 H118	I112-D114 PolarHBondContact O-N 3.02Å; D114-R116 VanDerWaalsContact C-N 3.3Å; D114-R116 PolarHBondContact O-N 2.95Å; D114-R116 WeakPolarHBondContact OD1-CA 3.4Å; D114-R116 VanDerWaalsContact OD1-CB 3.31Å; D114-R116 WeakPolarHBondContact OD1-CB 3.46Å; D114-R116 PolarHBondContact OD1-N 2.91Å; D114-R116 WeakPolarHBondContact OD2-CD 3.27Å; D114-H118 VanDerWaalsContact CG-NE2 3.35Å; D114-H118 IonicContact OD1-CD2 3.23Å; D114-H118 IonicContact OD1-NE2 2.67Å; D114-H118 PolarHBondContact OD1-NE2 3.31Å; D114-H118 IonicContact OD2-CE1 3.52Å; D114-H118 IonicContact OD2-NE2 2.73Å; D114-H118 PolarHBondContact OD2-NE2 2.8Å
115	G	89.8	Confident	92.9	Very high	25 Å²	25	49.6 Å²	49.6	26%	0.258	23%	0.231	S	C	.	.	S	Bend	trans	73.7	15	-177.1	0	0	0	0	0	114.7	K57 S58 N113	K57-G115 WeakPolarHBondContact CD-O 3.39Å; K57-G115 VanDerWaalsContact CG-O 3.23Å; K57-G115 WeakPolarHBondContact CG-O 3.29Å; S58-G115 WeakPolarHBondContact O-CA 3.24Å; S58-G115 PolarHBondContact O-N 2.81Å; N113-G115 VanDerWaalsContact C-N 3.32Å
116	R	93.9	Very high	92.5	Very high	178 Å²	178	55 Å²	55	67%	0.672	25%	0.249	S	C	*	.	S	Bend	trans	-103.8	168.5	173.8	-57.7	-177	177.3	179.8	-0.9	110.8	K57 D114	K57-R116 WeakPolarHBondContact CA-O 3.49Å; D114-R116 VanDerWaalsContact C-N 3.3Å; D114-R116 PolarHBondContact O-N 2.95Å; D114-R116 WeakPolarHBondContact OD1-CA 3.4Å; D114-R116 VanDerWaalsContact OD1-CB 3.31Å; D114-R116 WeakPolarHBondContact OD1-CB 3.46Å; D114-R116 PolarHBondContact OD1-N 2.91Å; D114-R116 WeakPolarHBondContact OD2-CD 3.27Å
117	W	94.3	Very high	92.2	Very high	77 Å²	77	55.3 Å²	55.3	29%	0.292	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.8	177.2	-74.6	105.6	0	0	0	110.3	A28 E55 I56 K57 R188	A28-W117 HydrophobicContact CB-CH2 3.69Å; A28-W117 HydrophobicContact CB-CZ2 3.87Å; E55-W117 HydrophobicContact CB-CE3 4.05Å; E55-W117 HydrophobicContact CB-CZ3 4.4Å; E55-W117 WeakPolarHBondContact O-CZ3 3.29Å; I56-W117 VanDerWaalsContact C-CE3 3.46Å; I56-W117 CarbonylContact O-C 3.51Å; I56-W117 WeakPolarHBondContact O-CA 3.44Å; K57-W117 HydrophobicContact CB-CD2 3.81Å; K57-W117 HydrophobicContact CB-CE3 3.82Å; K57-W117 HydrophobicContact CB-CG 4.36Å; K57-W117 HydrophobicContact CB-CH2 4.22Å; K57-W117 HydrophobicContact CB-CZ2 4.22Å; K57-W117 HydrophobicContact CB-CZ3 4.01Å; W117-R188 HydrophobicContact CE3-CG 4.08Å; W117-R188 HydrophobicContact CH2-CB 4.06Å; W117-R188 HydrophobicContact CH2-CG 3.72Å; W117-R188 HydrophobicContact CZ2-CG 4.36Å; W117-R188 HydrophobicContact CZ3-CB 4.21Å; W117-R188 HydrophobicContact CZ3-CG 3.57Å
118	H	95.9	Very high	92	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142	174	-66.2	-75.3	0	0	0	110.4	E55 I56 V110 I112 D114 D134	E55-H118 CarbonylContact C-O 3.6Å; E55-H118 VanDerWaalsContact CA-O 3.29Å; E55-H118 WeakPolarHBondContact CA-O 3.25Å; I56-H118 HydrophobicContact CG1-CB 4.39Å; I56-H118 PolarHBondContact N-O 3.16Å; I56-H118 PolarHBondContact O-N 2.88Å; V110-H118 VanDerWaalsContact CG1-CE1 3.42Å; V110-H118 WeakPolarHBondContact CG1-CE1 3.34Å; V110-H118 WeakPolarHBondContact CG1-ND1 3.44Å; I112-H118 HydrophobicContact CD1-CB 4.07Å; I112-H118 HydrophobicContact CG1-CB 4.25Å; D114-H118 VanDerWaalsContact CG-NE2 3.35Å; D114-H118 IonicContact OD1-CD2 3.23Å; D114-H118 IonicContact OD1-NE2 2.67Å; D114-H118 PolarHBondContact OD1-NE2 3.31Å; D114-H118 IonicContact OD2-CE1 3.52Å; D114-H118 IonicContact OD2-NE2 2.73Å; D114-H118 PolarHBondContact OD2-NE2 2.8Å; H118-D134 VanDerWaalsContact CA-OD1 3.28Å; H118-D134 WeakPolarHBondContact CA-OD1 3.36Å; H118-D134 IonicContact CE1-OD2 2.69Å; H118-D134 IonicContact CG-OD2 3.5Å; H118-D134 IonicContact ND1-OD1 3.52Å; H118-D134 IonicContact ND1-OD2 3.4Å; H118-D134 PolarHBondContact ND1-OD2 3.31Å
119	K	96.3	Very high	92	Very high	84 Å²	84	54 Å²	54	37%	0.365	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.3	176.3	-171.3	-174.2	179.8	-166.7	0	109.6	E55 V121 V133 D134	E55-K119 HydrophobicContact CG-CB 4.33Å; E55-K119 HydrophobicContact CG-CG 4.34Å; K119-V121 HydrophobicContact CD-CG2 4.08Å; K119-V121 HydrophobicContact CG-CG2 3.89Å; K119-V133 CarbonylContact O-C 3.54Å; K119-V133 WeakPolarHBondContact O-CA 3.43Å; K119-D134 PolarHBondContact N-OD1 3.44Å; K119-D134 PolarHBondContact O-N 3Å
120	V	97	Very high	92.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.6	175.5	-178.1	0	0	0	0	108.8	S53 V54 I56 L65 I79 V86 I112 L131 E132	S53-V120 WeakPolarHBondContact CA-O 3.49Å; V54-V120 HydrophobicContact CG1-CB 4.11Å; V54-V120 PolarHBondContact N-O 2.58Å; V54-V120 PolarHBondContact O-N 3.02Å; I56-V120 HydrophobicContact CD1-CG2 3.85Å; I56-V120 HydrophobicContact CG1-CG2 4.23Å; L65-V120 HydrophobicContact CD2-CG2 4.49Å; I79-V120 HydrophobicContact CG2-CG1 4.23Å; V86-V120 HydrophobicContact CG1-CG1 3.96Å; V86-V120 HydrophobicContact CG2-CG2 4.17Å; I112-V120 HydrophobicContact CD1-CG2 3.95Å; V120-L131 HydrophobicContact CG1-CD1 4.05Å; V120-E132 CarbonylContact C-O 3.59Å; V120-E132 WeakPolarHBondContact CA-O 3.32Å
121	V	96.1	Very high	92.5	Very high	1 Å²	1	50 Å²	50	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.5	-177.4	-162.7	0	0	0	0	110.8	V51 L52 K119 Y123 E132	V51-V121 HydrophobicContact CG1-CG1 3.36Å; L52-V121 CarbonylContact O-C 3.6Å; L52-V121 WeakPolarHBondContact O-CA 3.29Å; K119-V121 HydrophobicContact CD-CG2 4.08Å; K119-V121 HydrophobicContact CG-CG2 3.89Å; V121-Y123 HydrophobicContact CB-CD2 4.34Å; V121-Y123 HydrophobicContact CB-CE2 3.72Å; V121-Y123 HydrophobicContact CG1-CD2 3.99Å; V121-Y123 HydrophobicContact CG1-CE1 4.14Å; V121-Y123 HydrophobicContact CG1-CE2 3.43Å; V121-Y123 VanDerWaalsContact CG1-CE2 3.43Å; V121-E132 HydrophobicContact CB-CB 4.17Å; V121-E132 PolarHBondContact N-O 2.95Å; V121-E132 PolarHBondContact O-N 2.88Å
122	L	95.2	Very high	92.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.1	167.4	170	64.5	0	0	0	108.9	W44 V51 L52 Y77 I79 L88 I129	W44-L122 HydrophobicContact CH2-CD2 4.02Å; W44-L122 HydrophobicContact CZ3-CD2 3.97Å; V51-L122 CarbonylContact C-O 3.49Å; V51-L122 VanDerWaalsContact CA-O 3.26Å; V51-L122 WeakPolarHBondContact CA-O 3.17Å; L52-L122 HydrophobicContact CB-CB 4.42Å; L52-L122 PolarHBondContact N-O 3.23Å; L52-L122 PolarHBondContact O-N 3.38Å; Y77-L122 HydrophobicContact CD1-CD1 4.44Å; Y77-L122 HydrophobicContact CD1-CD2 3.82Å; Y77-L122 HydrophobicContact CD2-CD2 4.12Å; Y77-L122 HydrophobicContact CE1-CD1 4.49Å; Y77-L122 HydrophobicContact CE1-CD2 4.27Å; Y77-L122 HydrophobicContact CE2-CD2 4.5Å; Y77-L122 HydrophobicContact CG-CD2 3.77Å; I79-L122 HydrophobicContact CD1-CB 4.15Å; L88-L122 HydrophobicContact CD1-CD1 3.95Å; L88-L122 HydrophobicContact CD2-CD1 3.58Å; L88-L122 HydrophobicContact CG-CD1 4.44Å; L122-I129 HydrophobicContact CD1-CG2 3.87Å
123	Y	93	Very high	92.9	Very high	42 Å²	42	45.7 Å²	45.7	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.5	171.3	-66.2	-84.3	0	0	0	109.5	V51 V121 F125 I129 R130 E132	V51-Y123 HydrophobicContact CB-CD1 4.23Å; V51-Y123 HydrophobicContact CB-CE1 4.36Å; V51-Y123 HydrophobicContact CG1-CD1 3.71Å; V51-Y123 HydrophobicContact CG1-CE1 3.55Å; V51-Y123 HydrophobicContact CG1-CG 4.42Å; V51-Y123 HydrophobicContact CG2-CD1 3.59Å; V51-Y123 HydrophobicContact CG2-CE1 3.84Å; V121-Y123 HydrophobicContact CB-CD2 4.34Å; V121-Y123 HydrophobicContact CB-CE2 3.72Å; V121-Y123 HydrophobicContact CG1-CD2 3.99Å; V121-Y123 HydrophobicContact CG1-CE1 4.14Å; V121-Y123 HydrophobicContact CG1-CE2 3.43Å; V121-Y123 VanDerWaalsContact CG1-CE2 3.43Å; Y123-F125 AromaticContact CD1-CE2 3.36Å; Y123-F125 HydrophobicContact CD1-CE2 3.36Å; Y123-F125 AromaticContact CD1-CZ 3.44Å; Y123-F125 HydrophobicContact CD1-CZ 3.44Å; Y123-F125 VanDerWaalsContact CD1-CZ 3.44Å; Y123-F125 HydrophobicContact CE1-CE2 4.31Å; Y123-F125 HydrophobicContact CE1-CZ 4.2Å; Y123-F125 AromaticContact CG-CE2 3.78Å; Y123-F125 HydrophobicContact CG-CE2 3.78Å; Y123-F125 HydrophobicContact CG-CZ 4.29Å; Y123-I129 CarbonylContact O-C 3.49Å; Y123-I129 WeakPolarHBondContact O-CA 3.49Å; Y123-R130 HydrophobicContact CD2-CB 4.5Å; Y123-R130 HydrophobicContact CD2-CG 4.36Å; Y123-R130 PolarHBondContact N-O 2.73Å; Y123-R130 PolarHBondContact O-N 3.47Å; Y123-E132 HydrophobicContact CD2-CB 4.45Å; Y123-E132 HydrophobicContact CE2-CB 3.96Å; Y123-E132 VanDerWaalsContact CE2-OE2 3.31Å; Y123-E132 WeakPolarHBondContact CE2-OE2 3.36Å
124	H	89.8	Confident	93.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.6	169.4	175.3	-169.8	0	0	0	108	E49 N50 Y77 W126 F147	E49-H124 CarbonylContact C-O 3.58Å; E49-H124 VanDerWaalsContact CA-O 3.32Å; E49-H124 WeakPolarHBondContact CA-O 3.37Å; N50-H124 HydrophobicContact CB-CB 4.33Å; N50-H124 PolarHBondContact N-O 3.27Å; N50-H124 PolarHBondContact O-N 3.4Å; Y77-H124 AromaticContact CZ-ND1 3.92Å; Y77-H124 PolarHBondContact OH-CE1 3.2Å; Y77-H124 VanDerWaalsContact OH-CE1 3.27Å; Y77-H124 PolarHBondContact OH-ND1 3.03Å; H124-W126 PolarHBondContact CD2-O 3.13Å; H124-W126 PolarHBondContact NE2-O 2.94Å; H124-F147 PolarHBondContact CE1-O 3.34Å; H124-F147 PolarHBondContact NE2-O 2.98Å; H124-F147 VanDerWaalsContact NE2-O 3.15Å
125	F	88.2	Confident	93.2	Very high	58 Å²	58	48 Å²	48	25%	0.254	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	98.6	178.8	-60.8	-62.1	0	0	0	109.2	E49 V51 Y123 E127 T128	E49-F125 HydrophobicContact CB-CD1 3.87Å; E49-F125 HydrophobicContact CB-CE1 4.18Å; E49-F125 HydrophobicContact CG-CD1 3.88Å; V51-F125 HydrophobicContact CG2-CE1 4.41Å; V51-F125 HydrophobicContact CG2-CZ 4.14Å; Y123-F125 AromaticContact CD1-CE2 3.36Å; Y123-F125 HydrophobicContact CD1-CE2 3.36Å; Y123-F125 AromaticContact CD1-CZ 3.44Å; Y123-F125 HydrophobicContact CD1-CZ 3.44Å; Y123-F125 VanDerWaalsContact CD1-CZ 3.44Å; Y123-F125 HydrophobicContact CE1-CE2 4.31Å; Y123-F125 HydrophobicContact CE1-CZ 4.2Å; Y123-F125 AromaticContact CG-CE2 3.78Å; Y123-F125 HydrophobicContact CG-CE2 3.78Å; Y123-F125 HydrophobicContact CG-CZ 4.29Å; F125-E127 PolarHBondContact O-N 2.49Å; F125-T128 PolarHBondContact N-O 2.95Å; F125-T128 PolarHBondContact O-N 2.74Å
126	W	83.9	Confident	93.5	Very high	138 Å²	138	50 Å²	50	52%	0.523	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-122.2	-178.9	-59.8	78.3	0	0	0	111.2	F48 H124 T128 F147	F48-W126 HydrophobicContact CD1-CE3 4.45Å; F48-W126 HydrophobicContact CD1-CZ3 4.46Å; F48-W126 PolarHBondContact O-N 3.06Å; H124-W126 PolarHBondContact CD2-O 3.13Å; H124-W126 PolarHBondContact NE2-O 2.94Å; W126-T128 VanDerWaalsContact C-N 3.27Å; W126-T128 PolarHBondContact O-N 2.77Å; W126-F147 WeakPolarHBondContact O-CB 3.23Å
127	E	87	Confident	93.5	Very high	94 Å²	94	47.3 Å²	47.3	44%	0.439	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.9	177.2	58.9	-168.9	-146.3	0	0	114.9	F125 T141 L142 F147	F125-E127 PolarHBondContact O-N 2.49Å; E127-T141 HydrophobicContact CB-CG2 4.31Å; E127-T141 HydrophobicContact CG-CG2 4.01Å; E127-T141 CarbonylContact O-C 3.5Å; E127-T141 WeakPolarHBondContact O-CA 3.29Å; E127-L142 PolarHBondContact O-N 3.45Å; E127-F147 HydrophobicContact CB-CD1 4Å; E127-F147 HydrophobicContact CB-CE1 3.5Å; E127-F147 VanDerWaalsContact CB-CE1 3.5Å; E127-F147 HydrophobicContact CB-CE2 4.18Å; E127-F147 HydrophobicContact CB-CG 4.5Å; E127-F147 HydrophobicContact CB-CZ 3.59Å
128	T	90.8	Very high	93.6	Very high	30 Å²	30	45.5 Å²	45.5	18%	0.184	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.1	-173.6	-59.7	0	0	0	0	111.8	F125 W126	F125-T128 PolarHBondContact N-O 2.95Å; F125-T128 PolarHBondContact O-N 2.74Å; W126-T128 VanDerWaalsContact C-N 3.27Å; W126-T128 PolarHBondContact O-N 2.77Å
129	I	92.6	Very high	93.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.2	170.4	-52.9	-146.2	0	0	0	109	Y77 L88 W90 V92 L122 Y123 S139 K140 L142	Y77-I129 HydrophobicContact CE1-CD1 3.77Å; L88-I129 HydrophobicContact CD2-CG2 3.73Å; W90-I129 HydrophobicContact CD2-CD1 4.39Å; W90-I129 HydrophobicContact CD2-CG2 4.5Å; W90-I129 HydrophobicContact CG-CD1 4.17Å; W90-I129 HydrophobicContact CZ2-CB 4.04Å; W90-I129 HydrophobicContact CZ2-CD1 4.48Å; W90-I129 HydrophobicContact CZ2-CG1 4.41Å; W90-I129 HydrophobicContact CZ2-CG2 4.33Å; W90-I129 VanDerWaalsContact NE1-CD1 3.29Å; V92-I129 HydrophobicContact CG2-CD1 4.33Å; L122-I129 HydrophobicContact CD1-CG2 3.87Å; Y123-I129 CarbonylContact O-C 3.49Å; Y123-I129 WeakPolarHBondContact O-CA 3.49Å; I129-S139 CarbonylContact O-C 3.55Å; I129-S139 WeakPolarHBondContact O-CA 3.21Å; I129-S139 WeakPolarHBondContact O-CB 3.41Å; I129-K140 PolarHBondContact N-O 3.27Å; I129-K140 PolarHBondContact O-N 3.23Å; I129-L142 HydrophobicContact CD1-CD1 4.34Å; I129-L142 HydrophobicContact CG1-CD1 4.29Å
130	R	94.8	Very high	93.3	Very high	71 Å²	71	47.9 Å²	47.9	27%	0.268	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.9	-178	177.4	-167.6	-56.2	127.4	3.5	110.9	Y123 K137 V138	Y123-R130 HydrophobicContact CD2-CB 4.5Å; Y123-R130 HydrophobicContact CD2-CG 4.36Å; Y123-R130 PolarHBondContact N-O 2.73Å; Y123-R130 PolarHBondContact O-N 3.47Å; R130-K137 HydrophobicContact CG-CB 4.29Å; R130-V138 CarbonylContact C-O 3.54Å; R130-V138 VanDerWaalsContact CA-O 3.27Å; R130-V138 WeakPolarHBondContact CA-O 3.45Å; R130-V138 WeakPolarHBondContact CG-O 3.25Å
131	L	96.8	Very high	93	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.9	172.1	178.5	69.4	0	0	0	108.7	V86 L88 N107 V120 K137 V138	V86-L131 HydrophobicContact CB-CD2 4.25Å; V86-L131 HydrophobicContact CG1-CD1 4.09Å; V86-L131 HydrophobicContact CG1-CD2 3.92Å; V86-L131 HydrophobicContact CG1-CG 4.48Å; L88-L131 HydrophobicContact CB-CB 4.49Å; L88-L131 HydrophobicContact CB-CD1 4.38Å; L88-L131 HydrophobicContact CB-CD2 3.96Å; L88-L131 HydrophobicContact CD2-CB 4.24Å; N107-L131 HydrophobicContact CB-CD2 4Å; V120-L131 HydrophobicContact CG1-CD1 4.05Å; L131-K137 WeakPolarHBondContact O-CA 3.41Å; L131-V138 HydrophobicContact CB-CG2 3.86Å; L131-V138 HydrophobicContact CD2-CG2 4.35Å; L131-V138 HydrophobicContact CG-CG2 4.49Å; L131-V138 PolarHBondContact N-O 3.26Å; L131-V138 PolarHBondContact O-N 2.85Å
132	E	96.5	Very high	92.4	Very high	11 Å²	11	51 Å²	51	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.3	177.3	175	170.8	147.8	0	0	109.6	V120 V121 Y123 D134 H136 K137	V120-E132 CarbonylContact C-O 3.59Å; V120-E132 WeakPolarHBondContact CA-O 3.32Å; V121-E132 HydrophobicContact CB-CB 4.17Å; V121-E132 PolarHBondContact N-O 2.95Å; V121-E132 PolarHBondContact O-N 2.88Å; Y123-E132 HydrophobicContact CD2-CB 4.45Å; Y123-E132 HydrophobicContact CE2-CB 3.96Å; Y123-E132 VanDerWaalsContact CE2-OE2 3.31Å; Y123-E132 WeakPolarHBondContact CE2-OE2 3.36Å; E132-D134 VanDerWaalsContact CG-O 3.28Å; E132-D134 WeakPolarHBondContact CG-O 3.2Å; E132-H136 CarbonylContact C-O 3.59Å; E132-H136 WeakPolarHBondContact CA-O 3.44Å; E132-K137 HydrophobicContact CB-CG 4.12Å; E132-K137 HydrophobicContact CG-CG 3.95Å; E132-K137 IonicContact OE1-NZ 2.85Å; E132-K137 WeakPolarHBondContact OE2-CD 2.95Å; E132-K137 VanDerWaalsContact OE2-CE 3.23Å; E132-K137 WeakPolarHBondContact OE2-CE 3.19Å; E132-K137 IonicContact OE2-NZ 3.42Å; E132-K137 PolarHBondContact OE2-NZ 3.5Å
133	V	96.6	Very high	91.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.9	173.2	-176.9	0	0	0	0	107.4	V86 N107 V110 I112 K119 D135 H136	V86-V133 HydrophobicContact CB-CG2 3.77Å; V86-V133 HydrophobicContact CG1-CG2 4.36Å; V86-V133 HydrophobicContact CG2-CG1 4.33Å; V86-V133 HydrophobicContact CG2-CG2 3.61Å; N107-V133 HydrophobicContact CB-CG2 3.93Å; V110-V133 HydrophobicContact CB-CG1 3.94Å; V110-V133 HydrophobicContact CG1-CG1 4.45Å; V110-V133 HydrophobicContact CG2-CG1 4.45Å; I112-V133 HydrophobicContact CD1-CG1 3.84Å; I112-V133 HydrophobicContact CG1-CG1 4.27Å; K119-V133 CarbonylContact O-C 3.54Å; K119-V133 WeakPolarHBondContact O-CA 3.43Å; V133-D135 PolarHBondContact O-N 2.83Å; V133-D135 VanDerWaalsContact O-N 3.09Å; V133-H136 PolarHBondContact N-O 3.44Å; V133-H136 PolarHBondContact O-N 2.9Å
134	D	95.1	Very high	91	Very high	43 Å²	43	60.7 Å²	60.7	23%	0.23	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-108.3	-164.1	-58.4	-34.3	0	0	0	110.5	H118 K119 E132	H118-D134 VanDerWaalsContact CA-OD1 3.28Å; H118-D134 WeakPolarHBondContact CA-OD1 3.36Å; H118-D134 IonicContact CE1-OD2 2.69Å; H118-D134 IonicContact CG-OD2 3.5Å; H118-D134 IonicContact ND1-OD1 3.52Å; H118-D134 IonicContact ND1-OD2 3.4Å; H118-D134 PolarHBondContact ND1-OD2 3.31Å; K119-D134 PolarHBondContact N-OD1 3.44Å; K119-D134 PolarHBondContact O-N 3Å; E132-D134 VanDerWaalsContact CG-O 3.28Å; E132-D134 WeakPolarHBondContact CG-O 3.2Å
135	D	93.2	Very high	90.4	Very high	140 Å²	140	69.5 Å²	69.5	75%	0.749	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-2.7	178.9	-63.3	-50.5	0	0	0	113.6	V133	V133-D135 PolarHBondContact O-N 2.83Å; V133-D135 VanDerWaalsContact O-N 3.09Å
136	H	96	Very high	89.9	Confident	68 Å²	68	69 Å²	69	32%	0.315	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.8	-175.8	-67.1	87.9	0	0	0	111.6	N107 H109 E132 V133	N107-H136 PolarHBondContact ND2-O 3.39Å; H109-H136 HydrophobicContact CB-CB 3.99Å; H109-H136 AromaticContact CD2-CD2 3.16Å; H109-H136 PolarHBondContact CD2-CD2 2.88Å; H109-H136 AromaticContact CD2-CE1 3.18Å; H109-H136 PolarHBondContact CD2-CE1 2.84Å; H109-H136 AromaticContact CD2-CG 3.42Å; H109-H136 VanDerWaalsContact CD2-CG 3.42Å; H109-H136 AromaticContact CD2-ND1 3.42Å; H109-H136 PolarHBondContact CD2-ND1 2.79Å; H109-H136 AromaticContact CD2-NE2 3.03Å; H109-H136 PolarHBondContact CD2-NE2 3.33Å; H109-H136 AromaticContact CE1-CD2 3.92Å; H109-H136 AromaticContact CE1-NE2 3.77Å; H109-H136 AromaticContact CG-CD2 3.36Å; H109-H136 AromaticContact CG-CG 3.63Å; H109-H136 AromaticContact CG-NE2 3.74Å; H109-H136 AromaticContact ND1-CD2 3.85Å; H109-H136 AromaticContact NE2-CD2 3.56Å; H109-H136 AromaticContact NE2-CE1 3.54Å; H109-H136 AromaticContact NE2-NE2 3.07Å; H109-H136 PolarHBondContact NE2-NE2 3.16Å; E132-H136 CarbonylContact C-O 3.59Å; E132-H136 WeakPolarHBondContact CA-O 3.44Å; V133-H136 PolarHBondContact N-O 3.44Å; V133-H136 PolarHBondContact O-N 2.9Å
137	K	94.4	Very high	89.9	Confident	121 Å²	121	64 Å²	64	53%	0.526	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133	-172.2	-50.5	-179.1	-160	-125.7	0	110.9	R130 L131 E132	R130-K137 HydrophobicContact CG-CB 4.29Å; L131-K137 WeakPolarHBondContact O-CA 3.41Å; E132-K137 HydrophobicContact CB-CG 4.12Å; E132-K137 HydrophobicContact CG-CG 3.95Å; E132-K137 IonicContact OE1-NZ 2.85Å; E132-K137 WeakPolarHBondContact OE2-CD 2.95Å; E132-K137 VanDerWaalsContact OE2-CE 3.23Å; E132-K137 WeakPolarHBondContact OE2-CE 3.19Å; E132-K137 IonicContact OE2-NZ 3.42Å; E132-K137 PolarHBondContact OE2-NZ 3.5Å
138	V	95.5	Very high	89.6	Confident	40 Å²	40	62.1 Å²	62.1	24%	0.242	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141	168.2	-61.6	0	0	0	0	108.8	L105 N107 R130 L131	L105-V138 HydrophobicContact CB-CG2 4.4Å; L105-V138 HydrophobicContact CD2-CB 4.46Å; L105-V138 HydrophobicContact CD2-CG2 4.37Å; N107-V138 HydrophobicContact CB-CG1 4.29Å; N107-V138 HydrophobicContact CB-CG2 3.92Å; R130-V138 CarbonylContact C-O 3.54Å; R130-V138 VanDerWaalsContact CA-O 3.27Å; R130-V138 WeakPolarHBondContact CA-O 3.45Å; R130-V138 WeakPolarHBondContact CG-O 3.25Å; L131-V138 HydrophobicContact CB-CG2 3.86Å; L131-V138 HydrophobicContact CD2-CG2 4.35Å; L131-V138 HydrophobicContact CG-CG2 4.49Å; L131-V138 PolarHBondContact N-O 3.26Å; L131-V138 PolarHBondContact O-N 2.85Å
139	S	94.5	Very high	89.3	Confident	72 Å²	72	60.8 Å²	60.8	50%	0.503	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.3	-176.6	54.6	0	0	0	0	112.5	I129	I129-S139 CarbonylContact O-C 3.55Å; I129-S139 WeakPolarHBondContact O-CA 3.21Å; I129-S139 WeakPolarHBondContact O-CB 3.41Å
140	K	91.8	Very high	88.8	Confident	74 Å²	74	61.5 Å²	61.5	32%	0.322	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.8	173.2	-172	170.8	-172.2	173.5	0	109.1	W90 H103 L105 I129 L142	W90-K140 HydrophobicContact CH2-CB 3.86Å; W90-K140 HydrophobicContact CH2-CD 3.65Å; W90-K140 HydrophobicContact CH2-CG 4.32Å; W90-K140 HydrophobicContact CZ2-CB 4.03Å; W90-K140 HydrophobicContact CZ2-CD 3.82Å; W90-K140 HydrophobicContact CZ2-CG 4.31Å; H103-K140 HydrophobicContact CB-CD 4.32Å; H103-K140 PolarHBondContact ND1-NZ 2.75Å; L105-K140 HydrophobicContact CD1-CB 3.75Å; L105-K140 HydrophobicContact CD2-CB 4.17Å; L105-K140 HydrophobicContact CG-CB 4.1Å; I129-K140 PolarHBondContact N-O 3.27Å; I129-K140 PolarHBondContact O-N 3.23Å; K140-L142 HydrophobicContact CD-CD2 4.49Å; K140-L142 HydrophobicContact CG-CD2 4.38Å
141	T	90.6	Very high	87.9	Confident	61 Å²	61	62 Å²	62	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.1	170.6	-56	0	0	0	0	108.4	E127	E127-T141 HydrophobicContact CB-CG2 4.31Å; E127-T141 HydrophobicContact CG-CG2 4.01Å; E127-T141 CarbonylContact O-C 3.5Å; E127-T141 WeakPolarHBondContact O-CA 3.29Å
142	L	84.8	Confident	86.8	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	33%	0.333	C	S	.	.			trans	-91.9	131.4	-177.6	-57.9	-178.2	0	0	0	109.8	W90 V92 H103 E127 I129 K140 Q144 F147	W90-L142 HydrophobicContact CZ2-CD2 4.09Å; V92-L142 HydrophobicContact CG2-CD1 3.42Å; V92-L142 VanDerWaalsContact CG2-CD1 3.42Å; H103-L142 VanDerWaalsContact CD2-CD2 3.44Å; H103-L142 WeakPolarHBondContact CD2-CD2 2.88Å; H103-L142 WeakPolarHBondContact NE2-CD2 3.35Å; E127-L142 PolarHBondContact O-N 3.45Å; I129-L142 HydrophobicContact CD1-CD1 4.34Å; I129-L142 HydrophobicContact CG1-CD1 4.29Å; K140-L142 HydrophobicContact CD-CD2 4.49Å; K140-L142 HydrophobicContact CG-CD2 4.38Å; L142-Q144 HydrophobicContact CB-CG 4.1Å; L142-Q144 PolarHBondContact O-N 2.74Å; L142-F147 HydrophobicContact CB-CD1 4.21Å; L142-F147 HydrophobicContact CB-CE1 4.04Å
143	H	82.3	Confident	85.9	Confident	186 Å²	186	73.9 Å²	73.9	86%	0.861	37%	0.367	S	S	*	.			trans	-100.8	71.2	176.5	-61.4	-57.5	0	0	0	109.9
144	Q	76.7	Confident	85.1	Confident	62 Å²	62	77.5 Å²	77.5	29%	0.29	38%	0.384	S	S	.	.	S	Bend	trans	-140.7	171.3	179.9	61.6	-167.7	48.7	0	0	110.8	V92 L142 D146 F147	V92-Q144 PolarHBondContact O-NE2 3.01Å; L142-Q144 HydrophobicContact CB-CG 4.1Å; L142-Q144 PolarHBondContact O-N 2.74Å; Q144-D146 WeakPolarHBondContact CG-O 3.5Å; Q144-D146 PolarHBondContact NE2-O 3.31Å; Q144-F147 HydrophobicContact CG-CD1 3.73Å; Q144-F147 HydrophobicContact CG-CE1 3.53Å; Q144-F147 HydrophobicContact CG-CZ 4.47Å; Q144-F147 WeakPolarHBondContact O-CE1 3.48Å; Q144-F147 WeakPolarHBondContact O-CZ 3.19Å
145	Q	75.3	Confident	84.6	Confident	186 Å²	186	76 Å²	76	87%	0.869	38%	0.378	S	S	*	.	S	Bend	trans	-92.4	-17.4	-178	-69	-177.4	-7.1	0	0	113.8
146	D	79	Confident	84.3	Confident	47 Å²	47	69.8 Å²	69.8	25%	0.251	35%	0.347	S	S	.	.			trans	-128.3	122.4	-175.5	-179.1	13.4	0	0	0	109.9	G93 R94 Q144 V148	G93-D146 WeakPolarHBondContact CA-O 3.17Å; G93-D146 WeakPolarHBondContact CA-OD2 3.01Å; R94-D146 WeakPolarHBondContact CG-OD2 3.43Å; R94-D146 PolarHBondContact N-OD2 2.76Å; Q144-D146 WeakPolarHBondContact CG-O 3.5Å; Q144-D146 PolarHBondContact NE2-O 3.31Å; D146-V148 PolarHBondContact OD1-N 3.06Å
147	F	82.7	Confident	84.1	Confident	34 Å²	34	68 Å²	68	15%	0.149	34%	0.339	C	S	.	.			trans	-116.1	1.5	-178.3	-46.7	-73.8	0	0	0	112.1	H124 W126 E127 L142 Q144 F149	H124-F147 PolarHBondContact CE1-O 3.34Å; H124-F147 PolarHBondContact NE2-O 2.98Å; H124-F147 VanDerWaalsContact NE2-O 3.15Å; W126-F147 WeakPolarHBondContact O-CB 3.23Å; E127-F147 HydrophobicContact CB-CD1 4Å; E127-F147 HydrophobicContact CB-CE1 3.5Å; E127-F147 VanDerWaalsContact CB-CE1 3.5Å; E127-F147 HydrophobicContact CB-CE2 4.18Å; E127-F147 HydrophobicContact CB-CG 4.5Å; E127-F147 HydrophobicContact CB-CZ 3.59Å; L142-F147 HydrophobicContact CB-CD1 4.21Å; L142-F147 HydrophobicContact CB-CE1 4.04Å; Q144-F147 HydrophobicContact CG-CD1 3.73Å; Q144-F147 HydrophobicContact CG-CE1 3.53Å; Q144-F147 HydrophobicContact CG-CZ 4.47Å; Q144-F147 WeakPolarHBondContact O-CE1 3.48Å; Q144-F147 WeakPolarHBondContact O-CZ 3.19Å; F147-F149 PolarHBondContact O-N 2.73Å
148	V	81.1	Confident	84.1	Confident	54 Å²	54	62.2 Å²	62.2	33%	0.327	31%	0.314	S	S	.	.			trans	-72.4	133.8	-175	-177.7	0	0	0	0	109.2	F48 N75 G93 D146	F48-V148 HydrophobicContact CD1-CG2 4.39Å; F48-V148 HydrophobicContact CE1-CG2 3.67Å; F48-V148 HydrophobicContact CZ-CG2 4.16Å; N75-V148 PolarHBondContact ND2-O 2.81Å; G93-V148 PolarHBondContact N-O 3.49Å; D146-V148 PolarHBondContact OD1-N 3.06Å
149	F	85.3	Confident	84.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	30%	0.303	C	S	.	.			trans	-75	-62.9	174.9	-173.2	-86.2	0	0	0	110.6	Q46 N70 N75 F76 Y77 V92 F147	Q46-F149 HydrophobicContact CB-CB 4.04Å; Q46-F149 HydrophobicContact CB-CD1 4.21Å; Q46-F149 HydrophobicContact CB-CG 4.38Å; Q46-F149 VanDerWaalsContact CD-CE1 3.42Å; Q46-F149 HydrophobicContact CG-CD1 4.14Å; Q46-F149 HydrophobicContact CG-CG 4.41Å; N70-F149 HydrophobicContact CB-CE1 4.2Å; N75-F149 HydrophobicContact CB-CD2 4.19Å; N75-F149 HydrophobicContact CB-CE2 4.22Å; N75-F149 HydrophobicContact CB-CG 4.47Å; N75-F149 PolarHBondContact ND2-O 3.41Å; F76-F149 VanDerWaalsContact C-CE2 3.5Å; Y77-F149 AromaticContact CD2-CD2 3.6Å; Y77-F149 HydrophobicContact CD2-CD2 3.6Å; Y77-F149 AromaticContact CD2-CE2 3.2Å; Y77-F149 HydrophobicContact CD2-CE2 3.2Å; Y77-F149 AromaticContact CD2-CZ 3.93Å; Y77-F149 HydrophobicContact CD2-CZ 3.93Å; Y77-F149 AromaticContact CE2-CD2 3.09Å; Y77-F149 HydrophobicContact CE2-CD2 3.09Å; Y77-F149 AromaticContact CE2-CE2 3.27Å; Y77-F149 HydrophobicContact CE2-CE2 3.27Å; Y77-F149 AromaticContact CE2-CG 3.98Å; Y77-F149 HydrophobicContact CE2-CG 3.98Å; Y77-F149 HydrophobicContact CE2-CZ 4.25Å; Y77-F149 HydrophobicContact CG-CE2 4.02Å; Y77-F149 AromaticContact CZ-CD2 3.74Å; V92-F149 HydrophobicContact CG1-CB 4.44Å; V92-F149 HydrophobicContact CG1-CD2 3.75Å; F147-F149 PolarHBondContact O-N 2.73Å
150	T	81.6	Confident	84.1	Confident	15 Å²	15	56.9 Å²	56.9	9%	0.092	28%	0.279	C	S	.	.			trans	-170.4	176.4	173.7	-161.6	0	0	0	0	110.5	Q46 N70 H154 A155	Q46-T150 VanDerWaalsContact O-O 3.13Å; N70-T150 HydrophobicContact CB-CG2 3.73Å; T150-H154 VanDerWaalsContact OG1-CB 3.29Å; T150-H154 WeakPolarHBondContact OG1-CB 3.39Å; T150-A155 HydrophobicContact CG2-CB 3.82Å
151	D	76.8	Confident	84.2	Confident	81 Å²	81	53.4 Å²	53.4	43%	0.433	26%	0.264	S	S	.	.			trans	-88.4	173.1	168	65.6	41.1	0	0	0	111.2	E153 H154 A155	D151-E153 VanDerWaalsContact C-N 3.3Å; D151-E153 PolarHBondContact O-N 2.98Å; D151-E153 PolarHBondContact OD1-N 3.32Å; D151-H154 PolarHBondContact O-N 2.81Å; D151-H154 WeakPolarHBondContact OD1-CB 3.32Å; D151-H154 IonicContact OD1-CE1 3.09Å; D151-H154 IonicContact OD1-CG 2.81Å; D151-H154 PolarHBondContact OD1-N 2.84Å; D151-H154 IonicContact OD1-ND1 2.59Å; D151-H154 PolarHBondContact OD1-ND1 2.91Å; D151-H154 IonicContact OD2-CE1 2.69Å; D151-H154 PolarHBondContact OD2-CE1 2.82Å; D151-H154 IonicContact OD2-ND1 3.85Å; D151-H154 PolarHBondContact OD2-ND1 2.96Å; D151-A155 WeakPolarHBondContact O-CB 3.37Å; D151-A155 PolarHBondContact O-N 3.08Å; D151-A155 VanDerWaalsContact O-N 3.09Å
152	Y	73.8	Confident	84.3	Confident	97 Å²	97	50.6 Å²	50.6	38%	0.38	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27	-177.1	-173.9	-103.4	0	0	0	114.2	R43 Y45 H154	R43-Y152 HydrophobicContact CG-CE2 3.81Å; R43-Y152 PolarHBondContact NE-OH 3.22Å; R43-Y152 PolarHBondContact NH1-O 3Å; R43-Y152 VanDerWaalsContact NH2-CE1 3.25Å; Y45-Y152 AromaticContact CD2-CD2 3.38Å; Y45-Y152 HydrophobicContact CD2-CD2 3.38Å; Y45-Y152 HydrophobicContact CD2-CE2 4.02Å; Y45-Y152 AromaticContact CD2-CG 3.99Å; Y45-Y152 HydrophobicContact CD2-CG 3.99Å; Y45-Y152 AromaticContact CE2-CD2 3.92Å; Y45-Y152 HydrophobicContact CE2-CD2 3.92Å; Y45-Y152 HydrophobicContact CE2-CG 4.04Å; Y45-Y152 HydrophobicContact CG-CD2 4.11Å; Y152-H154 VanDerWaalsContact C-N 3.33Å
153	E	77.4	Confident	84.6	Confident	165 Å²	165	50.8 Å²	50.8	77%	0.771	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.8	-178.6	-64.8	-166.7	161.1	0	0	111.6	D151	D151-E153 VanDerWaalsContact C-N 3.3Å; D151-E153 PolarHBondContact O-N 2.98Å; D151-E153 PolarHBondContact OD1-N 3.32Å
154	H	79.7	Confident	84.9	Confident	76 Å²	76	42.4 Å²	42.4	35%	0.352	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-6	179.9	-58.9	106.9	0	0	0	113.6	N70 G71 Q73 T150 D151 Y152 G156	N70-H154 CarbonylContact C-O 3.58Å; N70-H154 VanDerWaalsContact CA-O 3.23Å; N70-H154 WeakPolarHBondContact CA-O 3.47Å; G71-H154 PolarHBondContact N-O 2.78Å; Q73-H154 PolarHBondContact NE2-CD2 3.27Å; T150-H154 VanDerWaalsContact OG1-CB 3.29Å; T150-H154 WeakPolarHBondContact OG1-CB 3.39Å; D151-H154 PolarHBondContact O-N 2.81Å; D151-H154 WeakPolarHBondContact OD1-CB 3.32Å; D151-H154 IonicContact OD1-CE1 3.09Å; D151-H154 IonicContact OD1-CG 2.81Å; D151-H154 PolarHBondContact OD1-N 2.84Å; D151-H154 IonicContact OD1-ND1 2.59Å; D151-H154 PolarHBondContact OD1-ND1 2.91Å; D151-H154 IonicContact OD2-CE1 2.69Å; D151-H154 PolarHBondContact OD2-CE1 2.82Å; D151-H154 IonicContact OD2-ND1 3.85Å; D151-H154 PolarHBondContact OD2-ND1 2.96Å; Y152-H154 VanDerWaalsContact C-N 3.33Å; H154-G156 PolarHBondContact O-N 2.88Å
155	A	83.9	Confident	85	Confident	11 Å²	11	42.4 Å²	42.4	9%	0.091	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-67.2	126	177.7	0	0	0	0	0	112.1	R43 T150 D151	R43-A155 HydrophobicContact CB-CB 4.21Å; T150-A155 HydrophobicContact CG2-CB 3.82Å; D151-A155 WeakPolarHBondContact O-CB 3.37Å; D151-A155 PolarHBondContact O-N 3.08Å; D151-A155 VanDerWaalsContact O-N 3.09Å
156	G	87.4	Confident	85.1	Confident	10 Å²	10	38.4 Å²	38.4	10%	0.103	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-77.4	163.5	173	0	0	0	0	0	112.7	R43 D69 H154	R43-G156 WeakPolarHBondContact CA-O 3.38Å; R43-G156 VanDerWaalsContact CB-O 3.3Å; R43-G156 WeakPolarHBondContact CB-O 3.04Å; D69-G156 WeakPolarHBondContact O-CA 3.48Å; D69-G156 PolarHBondContact O-N 2.88Å; H154-G156 PolarHBondContact O-N 2.88Å
157	D	92	Very high	85.2	Confident	29 Å²	29	38 Å²	38	16%	0.155	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-67	162.2	173.6	-76.5	-24.3	0	0	0	112	R40 F41 R43 T68 F159	R40-D157 HydrophobicContact CG-CB 4.23Å; R40-D157 IonicContact CZ-OD2 3.76Å; R40-D157 IonicContact NE-OD2 2.79Å; R40-D157 PolarHBondContact NE-OD2 2.84Å; R40-D157 IonicContact NH2-OD2 2.66Å; R40-D157 PolarHBondContact NH2-OD2 2.73Å; F41-D157 VanDerWaalsContact O-CB 3.31Å; F41-D157 WeakPolarHBondContact O-CB 3.32Å; R43-D157 PolarHBondContact N-OD1 2.99Å; T68-D157 PolarHBondContact OG1-O 2.89Å; D157-F159 HydrophobicContact CB-CE2 4.06Å; D157-F159 HydrophobicContact CB-CZ 4.25Å
158	V	93.8	Very high	84.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.2	177.2	-178.3	0	0	0	0	109.4	F41 W44 L52 V66 Y192	F41-V158 HydrophobicContact CB-CB 4.37Å; F41-V158 PolarHBondContact N-O 2.81Å; F41-V158 PolarHBondContact O-N 3.39Å; W44-V158 HydrophobicContact CB-CG2 3.72Å; L52-V158 HydrophobicContact CD1-CG1 4.31Å; V66-V158 HydrophobicContact CG1-CG1 3.75Å; V158-Y192 WeakPolarHBondContact CB-OH 3.42Å; V158-Y192 HydrophobicContact CG2-CE1 4.31Å; V158-Y192 HydrophobicContact CG2-CE2 4.41Å; V158-Y192 VanDerWaalsContact CG2-OH 3.27Å; V158-Y192 WeakPolarHBondContact CG2-OH 3.37Å
159	F	95.3	Very high	84.4	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.1	178.5	-65.8	-87.5	0	0	0	110.3	Y38 A39 R40 V66 Y67 D157 L163 P164 Y167	Y38-F159 HydrophobicContact CD2-CD1 4.36Å; A39-F159 CarbonylContact O-C 3.54Å; A39-F159 WeakPolarHBondContact O-CA 3.12Å; R40-F159 HydrophobicContact CB-CD1 4.13Å; R40-F159 HydrophobicContact CB-CE1 3.9Å; R40-F159 HydrophobicContact CG-CD1 4.22Å; R40-F159 HydrophobicContact CG-CE1 3.64Å; R40-F159 HydrophobicContact CG-CZ 4.01Å; V66-F159 CarbonylContact C-O 3.49Å; V66-F159 VanDerWaalsContact CA-O 3.32Å; V66-F159 WeakPolarHBondContact CA-O 3.37Å; Y67-F159 HydrophobicContact CD1-CD2 4.38Å; Y67-F159 PolarHBondContact N-O 2.69Å; Y67-F159 PolarHBondContact O-N 3.23Å; D157-F159 HydrophobicContact CB-CE2 4.06Å; D157-F159 HydrophobicContact CB-CZ 4.25Å; F159-L163 HydrophobicContact CB-CD2 3.96Å; F159-L163 HydrophobicContact CD1-CD2 3.84Å; F159-L163 HydrophobicContact CD2-CD2 3.6Å; F159-L163 HydrophobicContact CE1-CD2 4.25Å; F159-L163 HydrophobicContact CE2-CD2 4.04Å; F159-L163 HydrophobicContact CG-CD2 3.5Å; F159-L163 VanDerWaalsContact CG-CD2 3.5Å; F159-L163 HydrophobicContact CZ-CD2 4.36Å; F159-P164 HydrophobicContact CE1-CG 4.04Å; F159-Y167 HydrophobicContact CE1-CD2 4.35Å; F159-Y167 HydrophobicContact CE1-CE2 4.12Å; F159-Y167 AromaticContact CE2-CE2 3.85Å; F159-Y167 HydrophobicContact CE2-CE2 3.85Å; F159-Y167 AromaticContact CE2-CZ 3.91Å; F159-Y167 AromaticContact CZ-CD2 3.98Å; F159-Y167 HydrophobicContact CZ-CD2 3.98Å; F159-Y167 AromaticContact CZ-CE2 3.32Å; F159-Y167 HydrophobicContact CZ-CE2 3.32Å; F159-Y167 AromaticContact CZ-CZ 3.88Å
160	I	95.4	Very high	83.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.3	174	-62.3	-166	0	0	0	109.7	L31 A39 F41 L65 G162 V187 L190	L31-I160 HydrophobicContact CD1-CG2 3.97Å; A39-I160 PolarHBondContact N-O 2.75Å; A39-I160 PolarHBondContact O-N 3.4Å; F41-I160 HydrophobicContact CD2-CD1 4.18Å; F41-I160 HydrophobicContact CD2-CG1 4.08Å; F41-I160 HydrophobicContact CE2-CB 4.17Å; F41-I160 HydrophobicContact CE2-CD1 3.82Å; F41-I160 HydrophobicContact CE2-CG1 3.96Å; L65-I160 WeakPolarHBondContact O-CA 3.42Å; L65-I160 WeakPolarHBondContact O-CG2 3.2Å; I160-G162 VanDerWaalsContact C-N 3.29Å; I160-G162 PolarHBondContact O-N 3.22Å; I160-V187 HydrophobicContact CD1-CG1 4.24Å; I160-V187 HydrophobicContact CG2-CB 4.47Å; I160-V187 HydrophobicContact CG2-CG1 4.16Å; I160-V187 HydrophobicContact CG2-CG2 3.98Å; I160-L190 HydrophobicContact CD1-CD1 3.85Å; I160-L190 HydrophobicContact CD1-CD2 3.58Å; I160-L190 HydrophobicContact CD1-CG 4.19Å
161	G	93.5	Very high	83.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	82.8	-10.2	169.7	0	0	0	0	0	117.5	L64 L65 R182 F183	L64-G161 CarbonylContact O-C 3.55Å; L64-G161 VanDerWaalsContact O-C 3.29Å; L64-G161 WeakPolarHBondContact O-CA 3.28Å; L64-G161 PolarHBondContact O-N 3.01Å; L65-G161 PolarHBondContact O-N 2.81Å; G161-R182 CarbonylContact O-C 3.52Å; G161-R182 WeakPolarHBondContact O-CA 3.34Å; G161-R182 WeakPolarHBondContact O-CB 3.31Å; G161-F183 PolarHBondContact O-N 3.12Å
162	G	93.1	Very high	83.7	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	21%	0.214	C	C	.	.			trans	163.4	-178.5	-175.5	0	0	0	0	0	111	Y38 I160	Y38-G162 VanDerWaalsContact CB-C 3.44Å; Y38-G162 VanDerWaalsContact CB-O 3.3Å; Y38-G162 WeakPolarHBondContact CB-O 3.5Å; I160-G162 VanDerWaalsContact C-N 3.29Å; I160-G162 PolarHBondContact O-N 3.22Å
163	L	90	Very high	84.2	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.047	20%	0.199	C	C	.	.			trans	-120.4	155.5	172.3	-73.5	155.3	0	0	0	110.1	Y67 F159 V165 Y167 L172 V177 K178 R182	Y67-L163 HydrophobicContact CD1-CD2 4.19Å; F159-L163 HydrophobicContact CB-CD2 3.96Å; F159-L163 HydrophobicContact CD1-CD2 3.84Å; F159-L163 HydrophobicContact CD2-CD2 3.6Å; F159-L163 HydrophobicContact CE1-CD2 4.25Å; F159-L163 HydrophobicContact CE2-CD2 4.04Å; F159-L163 HydrophobicContact CG-CD2 3.5Å; F159-L163 VanDerWaalsContact CG-CD2 3.5Å; F159-L163 HydrophobicContact CZ-CD2 4.36Å; L163-V165 PolarHBondContact O-N 2.97Å; L163-Y167 HydrophobicContact CD2-CD1 4.35Å; L163-Y167 HydrophobicContact CD2-CG 4.4Å; L163-L172 HydrophobicContact CD1-CD1 4.24Å; L163-L172 HydrophobicContact CD1-CD2 4.2Å; L163-L172 HydrophobicContact CD2-CD2 4.37Å; L163-V177 HydrophobicContact CD1-CB 4.24Å; L163-V177 HydrophobicContact CD1-CG1 3.37Å; L163-V177 HydrophobicContact CD1-CG2 3.86Å; L163-K178 HydrophobicContact CD1-CG 4.31Å; L163-R182 VanDerWaalsContact O-CZ 3.27Å; L163-R182 PolarHBondContact O-NH1 2.77Å; L163-R182 PolarHBondContact O-NH2 2.89Å
164	P	89	Confident	84.5	Confident	9 Å²	9	29.3 Å²	29.3	6%	0.058	17%	0.169	C	C	.	.			trans	-53.7	139.8	170.2	-18.6	25.8	0	0	0	111.5	Y38 F159 D166 Y167	Y38-P164 HydrophobicContact CD1-CB 4.44Å; Y38-P164 HydrophobicContact CD1-CG 4.39Å; Y38-P164 HydrophobicContact CD2-CG 4.06Å; Y38-P164 HydrophobicContact CE1-CB 3.87Å; Y38-P164 HydrophobicContact CE1-CG 3.98Å; Y38-P164 HydrophobicContact CE2-CB 4.38Å; Y38-P164 HydrophobicContact CE2-CG 3.6Å; Y38-P164 HydrophobicContact CG-CG 4.44Å; F159-P164 HydrophobicContact CE1-CG 4.04Å; P164-D166 VanDerWaalsContact CB-OD1 3.26Å; P164-D166 WeakPolarHBondContact CB-OD1 3.25Å; P164-D166 PolarHBondContact O-N 3.49Å; P164-D166 VanDerWaalsContact O-N 3.14Å; P164-Y167 HydrophobicContact CG-CD2 3.9Å; P164-Y167 HydrophobicContact CG-CG 4.47Å; P164-Y167 VanDerWaalsContact O-CB 3.28Å; P164-Y167 WeakPolarHBondContact O-CB 3.09Å; P164-Y167 PolarHBondContact O-N 3.1Å; P164-Y167 VanDerWaalsContact O-N 3.07Å
165	V	79.6	Confident	84.4	Confident	63 Å²	63	28.4 Å²	28.4	38%	0.382	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.4	-179.5	-173.8	0	0	0	0	111.9	S35 L163 T336 F337	S35-V165 VanDerWaalsContact O-CG2 3.28Å; S35-V165 WeakPolarHBondContact O-CG2 3.41Å; L163-V165 PolarHBondContact O-N 2.97Å; V165-T336 HydrophobicContact CG1-CG2 4.48Å; V165-T336 PolarHBondContact O-OG1 2.77Å; V165-F337 WeakPolarHBondContact O-CE1 3.33Å; V165-F337 WeakPolarHBondContact O-CZ 3.26Å
166	D	77.3	Confident	84	Confident	102 Å²	102	34.9 Å²	34.9	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	10	179.4	63.8	-29.7	0	0	0	112.9	P164 D168 F337	P164-D166 VanDerWaalsContact CB-OD1 3.26Å; P164-D166 WeakPolarHBondContact CB-OD1 3.25Å; P164-D166 PolarHBondContact O-N 3.49Å; P164-D166 VanDerWaalsContact O-N 3.14Å; D166-D168 PolarHBondContact O-N 3.24Å; D166-F337 VanDerWaalsContact O-CD1 3.25Å; D166-F337 WeakPolarHBondContact O-CD1 3.44Å
167	Y	79.5	Confident	83.7	Confident	39 Å²	39	34.5 Å²	34.5	15%	0.153	19%	0.192	C	C	.	.			trans	-64	124.7	170.5	-158.3	-94.4	0	0	0	111.9	F159 L163 P164 S169 L172 K178 F337	F159-Y167 HydrophobicContact CE1-CD2 4.35Å; F159-Y167 HydrophobicContact CE1-CE2 4.12Å; F159-Y167 AromaticContact CE2-CE2 3.85Å; F159-Y167 HydrophobicContact CE2-CE2 3.85Å; F159-Y167 AromaticContact CE2-CZ 3.91Å; F159-Y167 AromaticContact CZ-CD2 3.98Å; F159-Y167 HydrophobicContact CZ-CD2 3.98Å; F159-Y167 AromaticContact CZ-CE2 3.32Å; F159-Y167 HydrophobicContact CZ-CE2 3.32Å; F159-Y167 AromaticContact CZ-CZ 3.88Å; L163-Y167 HydrophobicContact CD2-CD1 4.35Å; L163-Y167 HydrophobicContact CD2-CG 4.4Å; P164-Y167 HydrophobicContact CG-CD2 3.9Å; P164-Y167 HydrophobicContact CG-CG 4.47Å; P164-Y167 VanDerWaalsContact O-CB 3.28Å; P164-Y167 WeakPolarHBondContact O-CB 3.09Å; P164-Y167 PolarHBondContact O-N 3.1Å; P164-Y167 VanDerWaalsContact O-N 3.07Å; Y167-S169 PolarHBondContact O-N 3.2Å; Y167-L172 HydrophobicContact CD1-CD1 4.28Å; Y167-L172 HydrophobicContact CD1-CD2 3.77Å; Y167-L172 HydrophobicContact CD1-CG 3.92Å; Y167-L172 HydrophobicContact CE1-CD2 3.41Å; Y167-L172 VanDerWaalsContact CE1-CD2 3.41Å; Y167-L172 HydrophobicContact CE1-CG 3.84Å; Y167-K178 WeakPolarHBondContact O-CE 2.81Å; Y167-K178 PolarHBondContact O-NZ 2.82Å; Y167-F337 WeakPolarHBondContact O-CD1 3.39Å; Y167-F337 WeakPolarHBondContact O-CE1 3.32Å
168	D	75.9	Confident	83.1	Confident	66 Å²	66	36.2 Å²	36.2	35%	0.353	20%	0.198	S	C	.	.			trans	-65.6	127.5	-176.9	-172.2	-6.5	0	0	0	112.6	D166 S170 S171	D166-D168 PolarHBondContact O-N 3.24Å; D168-S170 PolarHBondContact O-N 2.91Å; D168-S170 WeakPolarHBondContact OD1-CB 3.35Å; D168-S170 PolarHBondContact OD1-N 3.16Å; D168-S170 PolarHBondContact OD1-OG 3.49Å; D168-S170 VanDerWaalsContact OD1-OG 3.07Å; D168-S170 PolarHBondContact OD2-OG 3.49Å; D168-S171 PolarHBondContact O-N 3.39Å
169	S	71.5	Confident	82.3	Confident	49 Å²	49	40.6 Å²	40.6	34%	0.343	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.2	-29.9	176.8	-64.9	0	0	0	0	112.4	Y167 S171 L172 K178	Y167-S169 PolarHBondContact O-N 3.2Å; S169-S171 PolarHBondContact O-N 2.57Å; S169-L172 PolarHBondContact O-N 3Å; S169-L172 VanDerWaalsContact O-N 3.17Å; S169-K178 WeakPolarHBondContact OG-CD 3.5Å; S169-K178 WeakPolarHBondContact OG-CE 3.15Å; S169-K178 PolarHBondContact OG-NZ 2.84Å
170	S	68.7	Low	81.6	Confident	53 Å²	53	43.6 Å²	43.6	37%	0.371	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-68.9	-19.6	-179.5	76.2	0	0	0	0	112.7	D168 L172	D168-S170 PolarHBondContact O-N 2.91Å; D168-S170 WeakPolarHBondContact OD1-CB 3.35Å; D168-S170 PolarHBondContact OD1-N 3.16Å; D168-S170 PolarHBondContact OD1-OG 3.49Å; D168-S170 VanDerWaalsContact OD1-OG 3.07Å; D168-S170 PolarHBondContact OD2-OG 3.49Å; S170-L172 VanDerWaalsContact C-N 3.33Å
171	S	77.5	Confident	81.2	Confident	45 Å²	45	47.5 Å²	47.5	32%	0.315	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-88.6	-0.2	176.8	-57.1	0	0	0	0	112.8	G71 G72 D168 S169	G71-S171 CarbonylContact C-O 3.51Å; G72-S171 PolarHBondContact N-O 2.69Å; D168-S171 PolarHBondContact O-N 3.39Å; S169-S171 PolarHBondContact O-N 2.57Å
172	L	82.8	Confident	81.1	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.042	28%	0.283	C	S	.	.			trans	-98.9	128.5	179.2	-66.4	171.1	0	0	0	111	Y67 D69 L163 Y167 S169 S170 F174 V177 K178	Y67-L172 HydrophobicContact CD1-CD2 4.2Å; Y67-L172 HydrophobicContact CE1-CD2 3.32Å; D69-L172 VanDerWaalsContact OD2-CA 3.31Å; D69-L172 WeakPolarHBondContact OD2-CA 3.46Å; L163-L172 HydrophobicContact CD1-CD1 4.24Å; L163-L172 HydrophobicContact CD1-CD2 4.2Å; L163-L172 HydrophobicContact CD2-CD2 4.37Å; Y167-L172 HydrophobicContact CD1-CD1 4.28Å; Y167-L172 HydrophobicContact CD1-CD2 3.77Å; Y167-L172 HydrophobicContact CD1-CG 3.92Å; Y167-L172 HydrophobicContact CE1-CD2 3.41Å; Y167-L172 VanDerWaalsContact CE1-CD2 3.41Å; Y167-L172 HydrophobicContact CE1-CG 3.84Å; S169-L172 PolarHBondContact O-N 3Å; S169-L172 VanDerWaalsContact O-N 3.17Å; S170-L172 VanDerWaalsContact C-N 3.33Å; L172-F174 PolarHBondContact O-N 2.9Å; L172-V177 HydrophobicContact CD1-CG1 3.8Å; L172-V177 HydrophobicContact CD2-CG1 4.27Å; L172-K178 HydrophobicContact CD1-CD 4.02Å; L172-K178 HydrophobicContact CD1-CG 3.79Å
173	S	84.6	Confident	81.1	Confident	10 Å²	10	49.7 Å²	49.7	7%	0.07	28%	0.282	C	S	.	.	S	Bend	trans	-70.7	-20	171.4	-68.2	0	0	0	0	113.1	Y67 D69 N70 G72 Q73 G74 N75	Y67-S173 PolarHBondContact OH-N 3.28Å; D69-S173 PolarHBondContact OD2-N 2.84Å; N70-S173 PolarHBondContact OD1-OG 2.62Å; G72-S173 VanDerWaalsContact CA-OG 3.32Å; G72-S173 WeakPolarHBondContact CA-OG 3.12Å; G72-S173 PolarHBondContact N-OG 2.84Å; Q73-S173 PolarHBondContact N-OG 2.99Å; G74-S173 PolarHBondContact N-OG 3.04Å; N75-S173 VanDerWaalsContact O-CB 3.27Å; N75-S173 WeakPolarHBondContact O-CB 3.34Å; N75-S173 PolarHBondContact O-OG 3.18Å
174	F	83.9	Confident	81.2	Confident	33 Å²	33	52 Å²	52	15%	0.145	29%	0.292	C	S	.	.	S	Bend	trans	-136.4	82.4	175.7	-172.4	-117	0	0	0	111.7	Y67 F76 T89 L172 F176 V177	Y67-F174 HydrophobicContact CE2-CB 4.16Å; Y67-F174 PolarHBondContact OH-N 2.9Å; F76-F174 HydrophobicContact CB-CB 4.38Å; F76-F174 HydrophobicContact CD1-CB 3.66Å; F76-F174 HydrophobicContact CD1-CG 4.34Å; F76-F174 HydrophobicContact CD2-CB 3.61Å; F76-F174 HydrophobicContact CD2-CD1 4.18Å; F76-F174 AromaticContact CD2-CG 3.94Å; F76-F174 HydrophobicContact CD2-CG 3.94Å; F76-F174 HydrophobicContact CE1-CB 3.71Å; F76-F174 AromaticContact CE1-CD2 3.75Å; F76-F174 HydrophobicContact CE1-CD2 3.75Å; F76-F174 AromaticContact CE1-CG 3.9Å; F76-F174 HydrophobicContact CE1-CG 3.9Å; F76-F174 HydrophobicContact CE2-CB 3.65Å; F76-F174 AromaticContact CE2-CD1 3.66Å; F76-F174 HydrophobicContact CE2-CD1 3.66Å; F76-F174 AromaticContact CE2-CD2 3.86Å; F76-F174 HydrophobicContact CE2-CD2 3.86Å; F76-F174 HydrophobicContact CE2-CE1 4.21Å; F76-F174 HydrophobicContact CE2-CE2 4.39Å; F76-F174 AromaticContact CE2-CG 3.46Å; F76-F174 HydrophobicContact CE2-CG 3.46Å; F76-F174 VanDerWaalsContact CE2-CG 3.46Å; F76-F174 HydrophobicContact CG-CB 3.61Å; F76-F174 HydrophobicContact CG-CG 4.35Å; F76-F174 HydrophobicContact CZ-CB 3.7Å; F76-F174 HydrophobicContact CZ-CD1 4.04Å; F76-F174 AromaticContact CZ-CD2 3.33Å; F76-F174 HydrophobicContact CZ-CD2 3.33Å; F76-F174 HydrophobicContact CZ-CE1 4.5Å; F76-F174 AromaticContact CZ-CE2 3.87Å; F76-F174 HydrophobicContact CZ-CE2 3.87Å; F76-F174 AromaticContact CZ-CG 3.43Å; F76-F174 HydrophobicContact CZ-CG 3.43Å; F76-F174 VanDerWaalsContact CZ-CG 3.43Å; F76-F174 HydrophobicContact CZ-CZ 4.42Å; T89-F174 HydrophobicContact CG2-CZ 4.41Å; L172-F174 PolarHBondContact O-N 2.9Å; F174-F176 HydrophobicContact CD1-CB 4.35Å; F174-F176 AromaticContact CD2-CD2 4Å; F174-F176 HydrophobicContact CD2-CD2 4Å; F174-F176 HydrophobicContact CE1-CB 3.88Å; F174-F176 HydrophobicContact CE2-CB 4.25Å; F174-F176 AromaticContact CE2-CD2 3.57Å; F174-F176 HydrophobicContact CE2-CD2 3.57Å; F174-F176 HydrophobicContact CE2-CE2 4.42Å; F174-F176 HydrophobicContact CE2-CG 4.34Å; F174-F176 HydrophobicContact CZ-CB 3.82Å; F174-F176 AromaticContact CZ-CD2 3.96Å; F174-F176 HydrophobicContact CZ-CD2 3.96Å; F174-F176 HydrophobicContact CZ-CG 4.29Å; F174-F176 PolarHBondContact O-N 2.79Å; F174-F176 VanDerWaalsContact O-N 3.09Å; F174-V177 HydrophobicContact CD1-CB 4.31Å; F174-V177 WeakPolarHBondContact O-CB 3.38Å; F174-V177 WeakPolarHBondContact O-CG1 3.34Å; F174-V177 PolarHBondContact O-N 2.93Å
175	P	78.2	Confident	81.3	Confident	58 Å²	58	52 Å²	52	38%	0.377	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-59.7	-24.3	-172.5	-26.9	35.7	0	0	0	115.7	V177 K178	P175-V177 PolarHBondContact O-N 3.11Å; P175-V177 VanDerWaalsContact O-N 3.11Å; P175-K178 PolarHBondContact O-N 3.12Å; P175-K178 VanDerWaalsContact O-N 3.16Å
176	F	75.8	Confident	81.9	Confident	146 Å²	146	49.3 Å²	49.3	64%	0.64	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58.3	-23	177.8	-63.6	-74.7	0	0	0	113.4	F174 K178 A179	F174-F176 HydrophobicContact CD1-CB 4.35Å; F174-F176 AromaticContact CD2-CD2 4Å; F174-F176 HydrophobicContact CD2-CD2 4Å; F174-F176 HydrophobicContact CE1-CB 3.88Å; F174-F176 HydrophobicContact CE2-CB 4.25Å; F174-F176 AromaticContact CE2-CD2 3.57Å; F174-F176 HydrophobicContact CE2-CD2 3.57Å; F174-F176 HydrophobicContact CE2-CE2 4.42Å; F174-F176 HydrophobicContact CE2-CG 4.34Å; F174-F176 HydrophobicContact CZ-CB 3.82Å; F174-F176 AromaticContact CZ-CD2 3.96Å; F174-F176 HydrophobicContact CZ-CD2 3.96Å; F174-F176 HydrophobicContact CZ-CG 4.29Å; F174-F176 PolarHBondContact O-N 2.79Å; F174-F176 VanDerWaalsContact O-N 3.09Å; F176-K178 PolarHBondContact O-N 3.05Å; F176-K178 VanDerWaalsContact O-N 3.09Å; F176-A179 WeakPolarHBondContact O-CB 3.21Å; F176-A179 PolarHBondContact O-N 2.86Å
177	V	80.9	Confident	82.6	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-53.8	-28.7	175	69.7	0	0	0	0	113.3	L64 Y67 L163 L172 F174 P175 A179 L180	L64-V177 HydrophobicContact CD1-CG2 3.75Å; L64-V177 HydrophobicContact CD2-CG2 3.36Å; L64-V177 HydrophobicContact CG-CG2 4.16Å; Y67-V177 HydrophobicContact CD2-CB 4.06Å; Y67-V177 HydrophobicContact CD2-CG1 4.29Å; Y67-V177 HydrophobicContact CD2-CG2 3.6Å; Y67-V177 HydrophobicContact CE2-CB 4.1Å; Y67-V177 HydrophobicContact CE2-CG1 4.05Å; Y67-V177 HydrophobicContact CE2-CG2 4.15Å; Y67-V177 HydrophobicContact CG-CG2 3.88Å; L163-V177 HydrophobicContact CD1-CB 4.24Å; L163-V177 HydrophobicContact CD1-CG1 3.37Å; L163-V177 HydrophobicContact CD1-CG2 3.86Å; L172-V177 HydrophobicContact CD1-CG1 3.8Å; L172-V177 HydrophobicContact CD2-CG1 4.27Å; F174-V177 HydrophobicContact CD1-CB 4.31Å; F174-V177 WeakPolarHBondContact O-CB 3.38Å; F174-V177 WeakPolarHBondContact O-CG1 3.34Å; F174-V177 PolarHBondContact O-N 2.93Å; P175-V177 PolarHBondContact O-N 3.11Å; P175-V177 VanDerWaalsContact O-N 3.11Å; V177-A179 VanDerWaalsContact C-N 3.27Å; V177-A179 PolarHBondContact O-N 3.46Å; V177-L180 HydrophobicContact CG2-CD1 4.32Å; V177-L180 WeakPolarHBondContact O-CB 3.3Å; V177-L180 PolarHBondContact O-N 3.41Å
178	K	79	Confident	83.2	Confident	65 Å²	65	45.5 Å²	45.5	28%	0.283	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-70	-22	177.8	-75.6	-173.9	168.8	-172	0	113.9	L163 Y167 S169 L172 P175 F176 F337	L163-K178 HydrophobicContact CD1-CG 4.31Å; Y167-K178 WeakPolarHBondContact O-CE 2.81Å; Y167-K178 PolarHBondContact O-NZ 2.82Å; S169-K178 WeakPolarHBondContact OG-CD 3.5Å; S169-K178 WeakPolarHBondContact OG-CE 3.15Å; S169-K178 PolarHBondContact OG-NZ 2.84Å; L172-K178 HydrophobicContact CD1-CD 4.02Å; L172-K178 HydrophobicContact CD1-CG 3.79Å; P175-K178 PolarHBondContact O-N 3.12Å; P175-K178 VanDerWaalsContact O-N 3.16Å; F176-K178 PolarHBondContact O-N 3.05Å; F176-K178 VanDerWaalsContact O-N 3.09Å; K178-F337 VanDerWaalsContact NZ-CZ 3.33Å
179	A	76.5	Confident	83.9	Confident	92 Å²	92	46.3 Å²	46.3	76%	0.76	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-85.9	-14.3	178.5	0	0	0	0	0	112.5	F176 V177	F176-A179 WeakPolarHBondContact O-CB 3.21Å; F176-A179 PolarHBondContact O-N 2.86Å; V177-A179 VanDerWaalsContact C-N 3.27Å; V177-A179 PolarHBondContact O-N 3.46Å
180	L	80.1	Confident	84.9	Confident	65 Å²	65	44.7 Å²	44.7	34%	0.34	25%	0.248	S	C	.	.	S	Bend	trans	-66.9	144.4	176.9	-63.6	176.1	0	0	0	110.5	L64 E78 V177	L64-L180 HydrophobicContact CB-CB 4.14Å; L64-L180 HydrophobicContact CB-CD1 4.29Å; L64-L180 HydrophobicContact CD1-CD1 3.97Å; E78-L180 HydrophobicContact CG-CD1 4.16Å; V177-L180 HydrophobicContact CG2-CD1 4.32Å; V177-L180 WeakPolarHBondContact O-CB 3.3Å; V177-L180 PolarHBondContact O-N 3.41Å
181	T	88	Confident	86	Confident	81 Å²	81	45 Å²	45	50%	0.497	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-61.6	148.1	172.7	54.5	0	0	0	0	109.8	N62 G63 L64	N62-T181 PolarHBondContact O-OG1 2.99Å; G63-T181 CarbonylContact C-O 3.56Å; G63-T181 VanDerWaalsContact CA-O 3.26Å; G63-T181 WeakPolarHBondContact CA-O 3.26Å; G63-T181 WeakPolarHBondContact CA-OG1 3.16Å; G63-T181 PolarHBondContact N-OG1 2.87Å; L64-T181 PolarHBondContact N-O 2.89Å
182	R	91.2	Very high	86.6	Confident	48 Å²	48	43.2 Å²	43.2	18%	0.181	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-74.5	143.7	175.9	-69	168.5	-177.1	-94.9	3	109.6	S34 S35 S36 S37 G161 L163 Q184	S34-R182 WeakPolarHBondContact O-CD 3.44Å; S35-R182 PolarHBondContact O-NE 3.38Å; S35-R182 PolarHBondContact O-NH2 2.84Å; S36-R182 PolarHBondContact O-NH1 3.41Å; S37-R182 VanDerWaalsContact C-NH1 3.31Å; S37-R182 PolarHBondContact O-NH1 2.83Å; G161-R182 CarbonylContact O-C 3.52Å; G161-R182 WeakPolarHBondContact O-CA 3.34Å; G161-R182 WeakPolarHBondContact O-CB 3.31Å; L163-R182 VanDerWaalsContact O-CZ 3.27Å; L163-R182 PolarHBondContact O-NH1 2.77Å; L163-R182 PolarHBondContact O-NH2 2.89Å; R182-Q184 PolarHBondContact O-N 3.26Å
183	F	93.7	Very high	86.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-69.6	132	177.2	179.9	-101.7	0	0	0	110.2	L31 I56 L64 L65 L81 G161 V187	L31-F183 HydrophobicContact CB-CD1 4.47Å; L31-F183 HydrophobicContact CD1-CD1 3.89Å; I56-F183 HydrophobicContact CB-CZ 4.19Å; L64-F183 VanDerWaalsContact O-CB 3.27Å; L64-F183 WeakPolarHBondContact O-CB 3.28Å; L65-F183 HydrophobicContact CD1-CD1 4.32Å; L65-F183 HydrophobicContact CD1-CD2 4.03Å; L65-F183 HydrophobicContact CD1-CE1 4.18Å; L65-F183 HydrophobicContact CD1-CE2 3.89Å; L65-F183 HydrophobicContact CD1-CG 4.24Å; L65-F183 HydrophobicContact CD1-CZ 3.96Å; L81-F183 HydrophobicContact CD1-CD2 4.05Å; L81-F183 HydrophobicContact CD1-CE2 3.72Å; G161-F183 PolarHBondContact O-N 3.12Å; F183-V187 HydrophobicContact CD1-CG2 4.25Å; F183-V187 HydrophobicContact CE1-CG2 3.68Å; F183-V187 HydrophobicContact CZ-CG2 4.5Å
184	Q	91	Very high	86.5	Confident	58 Å²	58	48.7 Å²	48.7	27%	0.271	25%	0.251	S	S	.	.			trans	-111.4	117	170.6	-179.5	-178.9	1	0	0	108.1	E32 S58 A60 R182	E32-Q184 WeakPolarHBondContact O-CG 3.46Å; S58-Q184 PolarHBondContact OG-O 2.77Å; A60-Q184 HydrophobicContact CB-CB 4.39Å; R182-Q184 PolarHBondContact O-N 3.26Å
185	G	91.6	Very high	85.8	Confident	10 Å²	10	50.8 Å²	50.8	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-179.3	-176.1	0	0	0	0	0	113.1	T30 L31 K57	T30-G185 CarbonylContact C-O 3.5Å; T30-G185 WeakPolarHBondContact CA-O 3.29Å; L31-G185 PolarHBondContact N-O 3.15Å; L31-G185 PolarHBondContact O-N 2.83Å; L31-G185 VanDerWaalsContact O-N 3.16Å; K57-G185 CarbonylContact O-C 3.59Å; K57-G185 VanDerWaalsContact O-CA 3.27Å; K57-G185 WeakPolarHBondContact O-CA 2.83Å
186	S	92.1	Very high	85.2	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.5	176	-52.5	0	0	0	0	111.4	L29 T30 I56 K57	L29-S186 CarbonylContact O-C 3.59Å; L29-S186 WeakPolarHBondContact O-CA 3.11Å; T30-S186 PolarHBondContact OG1-OG 3.48Å; I56-S186 CarbonylContact C-O 3.55Å; I56-S186 VanDerWaalsContact CA-O 3.31Å; I56-S186 WeakPolarHBondContact CA-O 3.37Å; K57-S186 PolarHBondContact N-O 3.41Å; K57-S186 PolarHBondContact O-N 3.14Å
187	V	92.6	Very high	84.9	Confident	6 Å²	6	53 Å²	53	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.9	-177.3	-175.7	0	0	0	0	109.1	A28 L29 L31 V54 E55 I56 I160 F183	A28-V187 CarbonylContact C-O 3.59Å; A28-V187 WeakPolarHBondContact CA-O 3.19Å; L29-V187 PolarHBondContact N-O 2.55Å; L29-V187 PolarHBondContact O-N 3.26Å; L31-V187 HydrophobicContact CD1-CG2 4.12Å; V54-V187 HydrophobicContact CG2-CG1 3.24Å; E55-V187 CarbonylContact O-C 3Å; E55-V187 WeakPolarHBondContact O-CA 3.33Å; I56-V187 HydrophobicContact CG2-CG1 4.45Å; I56-V187 HydrophobicContact CG2-CG2 4.32Å; I160-V187 HydrophobicContact CD1-CG1 4.24Å; I160-V187 HydrophobicContact CG2-CB 4.47Å; I160-V187 HydrophobicContact CG2-CG1 4.16Å; I160-V187 HydrophobicContact CG2-CG2 3.98Å; F183-V187 HydrophobicContact CD1-CG2 4.25Å; F183-V187 HydrophobicContact CE1-CG2 3.68Å; F183-V187 HydrophobicContact CZ-CG2 4.5Å
188	R	91.6	Very high	84.8	Confident	55 Å²	55	54.4 Å²	54.4	21%	0.208	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	172.8	174	72.7	-175.5	-177.5	-173	-2.9	111	C26 A28 E55 W117 L190	C26-R188 PolarHBondContact SG-NH1 2.74Å; A28-R188 HydrophobicContact CB-CB 4.18Å; E55-R188 HydrophobicContact CB-CG 3.79Å; E55-R188 PolarHBondContact N-O 2.89Å; E55-R188 PolarHBondContact O-N 3.25Å; E55-R188 IonicContact OE2-CZ 3.64Å; E55-R188 VanDerWaalsContact OE2-CZ 3.24Å; E55-R188 IonicContact OE2-NE 3.49Å; E55-R188 PolarHBondContact OE2-NE 3.18Å; E55-R188 IonicContact OE2-NH2 2.97Å; E55-R188 PolarHBondContact OE2-NH2 3.28Å; W117-R188 HydrophobicContact CE3-CG 4.08Å; W117-R188 HydrophobicContact CH2-CB 4.06Å; W117-R188 HydrophobicContact CH2-CG 3.72Å; W117-R188 HydrophobicContact CZ2-CG 4.36Å; W117-R188 HydrophobicContact CZ3-CB 4.21Å; W117-R188 HydrophobicContact CZ3-CG 3.57Å; R188-L190 VanDerWaalsContact C-N 3.28Å; R188-L190 PolarHBondContact O-N 3.2Å
189	N	90.8	Very high	85	Confident	82 Å²	82	55.8 Å²	55.8	44%	0.439	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52	44.1	174	-63	-14.9	0	0	0	113.3	E55 I191	E55-N189 VanDerWaalsContact CD-ND2 3.33Å; E55-N189 HydrophobicContact CG-CB 4.34Å; E55-N189 PolarHBondContact OE1-ND2 2.75Å; N189-I191 PolarHBondContact O-N 2.86Å
190	L	93	Very high	85.4	Confident	16 Å²	16	55.1 Å²	55.1	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	117.1	168.4	-178.2	62.8	0	0	0	108.5	F41 L52 S53 V54 I160 R188 Y192 P202	F41-L190 HydrophobicContact CB-CD2 4.22Å; F41-L190 HydrophobicContact CD1-CD2 3.69Å; F41-L190 HydrophobicContact CD2-CD2 3.74Å; F41-L190 HydrophobicContact CE1-CD2 3.88Å; F41-L190 HydrophobicContact CE2-CD2 3.94Å; F41-L190 HydrophobicContact CG-CD2 3.6Å; F41-L190 HydrophobicContact CZ-CD2 4Å; L52-L190 HydrophobicContact CD2-CD1 4.29Å; L52-L190 HydrophobicContact CG-CD1 4.41Å; S53-L190 CarbonylContact O-C 3.59Å; S53-L190 WeakPolarHBondContact O-CA 3.48Å; V54-L190 HydrophobicContact CB-CD1 4.2Å; V54-L190 HydrophobicContact CG2-CD1 4.42Å; I160-L190 HydrophobicContact CD1-CD1 3.85Å; I160-L190 HydrophobicContact CD1-CD2 3.58Å; I160-L190 HydrophobicContact CD1-CG 4.19Å; R188-L190 VanDerWaalsContact C-N 3.28Å; R188-L190 PolarHBondContact O-N 3.2Å; L190-Y192 HydrophobicContact CD1-CE1 3.91Å; L190-Y192 HydrophobicContact CD2-CE1 4.19Å; L190-Y192 HydrophobicContact CG-CE1 3.95Å; L190-P202 HydrophobicContact CD2-CG 3.71Å; L190-P202 HydrophobicContact CG-CG 3.96Å; L190-P202 WeakPolarHBondContact O-CD 3.2Å
191	I	90.9	Very high	85.6	Confident	60 Å²	60	56 Å²	56	31%	0.308	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.6	-174.8	-64.9	168	0	0	0	108.8	S53 N189 V199	S53-I191 PolarHBondContact N-O 2.95Å; S53-I191 PolarHBondContact O-N 3.2Å; N189-I191 PolarHBondContact O-N 2.86Å; I191-V199 HydrophobicContact CG2-CG1 3.35Å
192	Y	90.7	Very high	85.6	Confident	7 Å²	7	53.4 Å²	53.4	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.2	168.9	-58.3	-21	0	0	0	109	F41 P42 W44 L52 V158 L190 V199 T200 P202	F41-Y192 WeakPolarHBondContact CB-OH 3.43Å; P42-Y192 WeakPolarHBondContact O-CE2 3.38Å; W44-Y192 HydrophobicContact CB-CD1 4.38Å; W44-Y192 HydrophobicContact CB-CD2 4.03Å; W44-Y192 HydrophobicContact CB-CE1 4.35Å; W44-Y192 HydrophobicContact CB-CE2 3.98Å; W44-Y192 HydrophobicContact CB-CG 4.25Å; W44-Y192 VanDerWaalsContact CD1-CB 3.49Å; W44-Y192 AromaticContact CD1-CD1 3.94Å; W44-Y192 AromaticContact CD1-CD2 3.89Å; W44-Y192 AromaticContact CD1-CG 3.49Å; W44-Y192 VanDerWaalsContact CD1-CG 3.49Å; W44-Y192 HydrophobicContact CG-CD1 4.04Å; W44-Y192 HydrophobicContact CG-CD2 4.19Å; W44-Y192 HydrophobicContact CG-CE1 4.43Å; W44-Y192 AromaticContact CG-CG 3.94Å; W44-Y192 HydrophobicContact CG-CG 3.94Å; L52-Y192 HydrophobicContact CD1-CD1 4.15Å; L52-Y192 HydrophobicContact CD1-CE1 3.78Å; L52-Y192 HydrophobicContact CG-CD1 4.15Å; L52-Y192 HydrophobicContact CG-CE1 4.12Å; V158-Y192 WeakPolarHBondContact CB-OH 3.42Å; V158-Y192 HydrophobicContact CG2-CE1 4.31Å; V158-Y192 HydrophobicContact CG2-CE2 4.41Å; V158-Y192 VanDerWaalsContact CG2-OH 3.27Å; V158-Y192 WeakPolarHBondContact CG2-OH 3.37Å; L190-Y192 HydrophobicContact CD1-CE1 3.91Å; L190-Y192 HydrophobicContact CD2-CE1 4.19Å; L190-Y192 HydrophobicContact CG-CE1 3.95Å; Y192-V199 CarbonylContact O-C 3.46Å; Y192-V199 WeakPolarHBondContact O-CA 3.33Å; Y192-T200 WeakPolarHBondContact CB-OG1 3.4Å; Y192-T200 PolarHBondContact N-O 2.98Å; Y192-T200 PolarHBondContact O-N 2.66Å; Y192-P202 HydrophobicContact CD2-CB 4.37Å; Y192-P202 HydrophobicContact CD2-CG 4.05Å; Y192-P202 HydrophobicContact CE1-CG 4.18Å; Y192-P202 HydrophobicContact CE2-CB 3.81Å; Y192-P202 HydrophobicContact CE2-CG 3.55Å
193	R	86.4	Confident	85.4	Confident	128 Å²	128	55.2 Å²	55.2	48%	0.483	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	168.2	177.2	-178.3	-177.8	-167.4	-0	108.9	V51 G198 V199	V51-R193 HydrophobicContact CB-CB 4.12Å; V51-R193 PolarHBondContact N-O 2.04Å; V51-R193 PolarHBondContact O-N 3.18Å; R193-G198 WeakPolarHBondContact CA-O 3.39Å; R193-V199 HydrophobicContact CB-CG2 4.05Å; R193-V199 HydrophobicContact CG-CG2 3.85Å
194	T	78.7	Confident	85.1	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	125.4	-177.8	-55	0	0	0	0	107.9	W44 Y45 A47 P196 Y197 G198	W44-T194 PolarHBondContact NE1-OG1 3.01Å; Y45-T194 HydrophobicContact CD1-CG2 3.59Å; Y45-T194 HydrophobicContact CE1-CG2 4.49Å; Y45-T194 HydrophobicContact CG-CG2 4.18Å; Y45-T194 WeakPolarHBondContact O-CB 3.33Å; Y45-T194 WeakPolarHBondContact O-CG2 3.44Å; Y45-T194 PolarHBondContact O-OG1 2.87Å; A47-T194 HydrophobicContact CB-CG2 3.81Å; T194-P196 CarbonylContact O-C 3.54Å; T194-Y197 HydrophobicContact CG2-CD2 4.02Å; T194-Y197 CarbonylContact O-C 3.57Å; T194-Y197 WeakPolarHBondContact O-CA 3.2Å; T194-Y197 PolarHBondContact O-N 3.07Å; T194-G198 PolarHBondContact N-O 3.16Å; T194-G198 PolarHBondContact O-N 3.28Å
195	L	69.6	Low	85.1	Confident	76 Å²	76	59.3 Å²	59.3	40%	0.398	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	134.7	176	-75.8	162.3	0	0	0	110.2	A47 E49	A47-L195 WeakPolarHBondContact CB-O 3.38Å; E49-L195 HydrophobicContact CB-CB 4.39Å; E49-L195 HydrophobicContact CB-CD1 4.22Å; E49-L195 PolarHBondContact O-N 3.4Å; E49-L195 WeakPolarHBondContact OE2-CD1 3.49Å
196	P	64.5	Low	85.1	Confident	114 Å²	114	62.7 Å²	62.7	74%	0.74	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.5	3.6	4.8	36.1	-36.3	0	0	0	115.6	T194 G198	T194-P196 CarbonylContact O-C 3.54Å; P196-G198 VanDerWaalsContact C-N 3.27Å; P196-G198 PolarHBondContact O-N 2.72Å
197	Y	70.3	Confident	85.1	Confident	137 Å²	137	69.5 Å²	69.5	54%	0.537	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.2	-170.7	-60.1	-76.6	0	0	0	116.4	Y45 T194	Y45-Y197 AromaticContact CD1-CD2 3.75Å; Y45-Y197 HydrophobicContact CD1-CD2 3.75Å; Y45-Y197 AromaticContact CD1-CE2 3.68Å; Y45-Y197 HydrophobicContact CD1-CE2 3.68Å; Y45-Y197 HydrophobicContact CD2-CD2 4.19Å; Y45-Y197 HydrophobicContact CD2-CE2 4.06Å; Y45-Y197 AromaticContact CE1-CD2 3.75Å; Y45-Y197 HydrophobicContact CE1-CD2 3.75Å; Y45-Y197 AromaticContact CE1-CE2 3.15Å; Y45-Y197 HydrophobicContact CE1-CE2 3.15Å; Y45-Y197 AromaticContact CE1-CZ 3.92Å; Y45-Y197 HydrophobicContact CE2-CD2 4.18Å; Y45-Y197 HydrophobicContact CE2-CE1 4.18Å; Y45-Y197 AromaticContact CE2-CE2 3.59Å; Y45-Y197 HydrophobicContact CE2-CE2 3.59Å; Y45-Y197 AromaticContact CE2-CZ 3.57Å; Y45-Y197 AromaticContact CG-CD2 3.99Å; Y45-Y197 HydrophobicContact CG-CD2 3.99Å; Y45-Y197 HydrophobicContact CG-CE2 4.11Å; Y45-Y197 AromaticContact CZ-CD2 3.97Å; Y45-Y197 AromaticContact CZ-CE2 3.1Å; Y45-Y197 AromaticContact CZ-CZ 3.34Å; Y45-Y197 VanDerWaalsContact CZ-OH 3.27Å; Y45-Y197 WeakPolarHBondContact OH-CE2 3.25Å; Y45-Y197 PolarHBondContact OH-OH 2.97Å; T194-Y197 HydrophobicContact CG2-CD2 4.02Å; T194-Y197 CarbonylContact O-C 3.57Å; T194-Y197 WeakPolarHBondContact O-CA 3.2Å; T194-Y197 PolarHBondContact O-N 3.07Å
198	G	78	Confident	84.9	Confident	31 Å²	31	73.8 Å²	73.8	32%	0.32	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.7	-151.2	175.6	0	0	0	0	0	113.4	R193 T194 P196	R193-G198 WeakPolarHBondContact CA-O 3.39Å; T194-G198 PolarHBondContact N-O 3.16Å; T194-G198 PolarHBondContact O-N 3.28Å; P196-G198 VanDerWaalsContact C-N 3.27Å; P196-G198 PolarHBondContact O-N 2.72Å
199	V	84.1	Confident	84.7	Confident	94 Å²	94	71.8 Å²	71.8	57%	0.57	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	131.3	-175.3	-176	0	0	0	0	109.2	I191 Y192 R193	I191-V199 HydrophobicContact CG2-CG1 3.35Å; Y192-V199 CarbonylContact O-C 3.46Å; Y192-V199 WeakPolarHBondContact O-CA 3.33Å; R193-V199 HydrophobicContact CB-CG2 4.05Å; R193-V199 HydrophobicContact CG-CG2 3.85Å
200	T	84	Confident	84.6	Confident	78 Å²	78	69.4 Å²	69.4	48%	0.479	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.6	177.6	60.4	0	0	0	0	110.8	Y192	Y192-T200 WeakPolarHBondContact CB-OG1 3.4Å; Y192-T200 PolarHBondContact N-O 2.98Å; Y192-T200 PolarHBondContact O-N 2.66Å
201	A	85.3	Confident	84.2	Confident	84 Å²	84	69.7 Å²	69.7	69%	0.694	38%	0.376	S	S	*	.			trans	-112.5	96.1	172.2	0	0	0	0	0	107.7
202	P	87.8	Confident	83.4	Confident	27 Å²	27	71.6 Å²	71.6	18%	0.175	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-65.7	141.3	-173.7	28.6	-39.6	0	0	0	112.6	F41 P42 L190 Y192	F41-P202 HydrophobicContact CB-CB 4.38Å; F41-P202 HydrophobicContact CD1-CB 4.11Å; F41-P202 HydrophobicContact CD1-CG 4.06Å; P42-P202 HydrophobicContact CG-CB 4.49Å; L190-P202 HydrophobicContact CD2-CG 3.71Å; L190-P202 HydrophobicContact CG-CG 3.96Å; L190-P202 WeakPolarHBondContact O-CD 3.2Å; Y192-P202 HydrophobicContact CD2-CB 4.37Å; Y192-P202 HydrophobicContact CD2-CG 4.05Å; Y192-P202 HydrophobicContact CE1-CG 4.18Å; Y192-P202 HydrophobicContact CE2-CB 3.81Å; Y192-P202 HydrophobicContact CE2-CG 3.55Å
203	S	86.1	Confident	82.6	Confident	85 Å²	85	73.2 Å²	73.2	59%	0.594	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-81.5	146.9	168.8	57.4	0	0	0	0	111.1	P42	P42-S203 VanDerWaalsContact CD-O 3.23Å; P42-S203 WeakPolarHBondContact CD-O 3.42Å
204	M	88.2	Confident	81.8	Confident	53 Å²	53	71.7 Å²	71.7	26%	0.261	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-65.3	132.8	175.6	-171.4	176.7	-67.1	0	0	111.7	L29 A39 F41 W207	L29-M204 HydrophobicContact CD1-CE 3.3Å; L29-M204 HydrophobicContact CD1-SD 4.29Å; L29-M204 HydrophobicContact CD2-CE 3.46Å; L29-M204 VanDerWaalsContact CD2-CE 3.46Å; L29-M204 HydrophobicContact CG-CE 3.92Å; A39-M204 HydrophobicContact CB-CE 3.64Å; A39-M204 HydrophobicContact CB-SD 4.15Å; F41-M204 HydrophobicContact CD1-CB 4.48Å; F41-M204 HydrophobicContact CE1-CB 4Å; F41-M204 HydrophobicContact CE1-CE 4.45Å; F41-M204 HydrophobicContact CE2-CE 4.35Å; F41-M204 HydrophobicContact CZ-CB 4.32Å; F41-M204 HydrophobicContact CZ-CE 3.77Å; M204-W207 HydrophobicContact CG-CB 4.47Å; M204-W207 HydrophobicContact CG-CD2 4.46Å; M204-W207 HydrophobicContact CG-CE3 3.76Å; M204-W207 HydrophobicContact CG-CZ3 4.48Å; M204-W207 HydrophobicContact SD-CB 3.54Å; M204-W207 VanDerWaalsContact SD-CB 3.54Å; M204-W207 HydrophobicContact SD-CD2 3.6Å; M204-W207 VanDerWaalsContact SD-CD2 3.6Å; M204-W207 HydrophobicContact SD-CE3 3.46Å; M204-W207 HydrophobicContact SD-CG 3.65Å; M204-W207 HydrophobicContact SD-CZ3 4.38Å
205	L	91.1	Very high	81.7	Confident	91 Å²	91	74.5 Å²	74.5	48%	0.476	43%	0.432	S	S	.	.			trans	-91.4	-44	178.7	-67.3	179	0	0	0	112.7	R40 P42	R40-L205 HydrophobicContact CG-CB 4.4Å; R40-L205 PolarHBondContact O-N 3.27Å; P42-L205 HydrophobicContact CB-CD1 4.2Å; P42-L205 HydrophobicContact CG-CD1 3.92Å; P42-L205 HydrophobicContact CG-CD2 3.98Å; P42-L205 HydrophobicContact CG-CG 3.86Å
206	Q	91.8	Very high	82	Confident	82 Å²	82	73.8 Å²	73.8	38%	0.383	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147.4	-175.1	-172.5	-177.4	0.1	0	0	109.3	Y38 R40	Y38-Q206 HydrophobicContact CE2-CG 4.36Å; Y38-Q206 PolarHBondContact OH-NE2 3.1Å; R40-Q206 HydrophobicContact CB-CB 4.18Å; R40-Q206 WeakPolarHBondContact CB-O 3.01Å; R40-Q206 PolarHBondContact N-O 2.99Å
207	W	91.2	Very high	82.6	Confident	148 Å²	148	72.9 Å²	72.9	56%	0.561	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.1	158	177.2	63.4	95.5	0	0	0	112	Y38 A39 M204 V210	Y38-W207 VanDerWaalsContact O-CA 3.31Å; Y38-W207 WeakPolarHBondContact O-CA 3.15Å; A39-W207 HydrophobicContact CB-CB 4.44Å; M204-W207 HydrophobicContact CG-CB 4.47Å; M204-W207 HydrophobicContact CG-CD2 4.46Å; M204-W207 HydrophobicContact CG-CE3 3.76Å; M204-W207 HydrophobicContact CG-CZ3 4.48Å; M204-W207 HydrophobicContact SD-CB 3.54Å; M204-W207 VanDerWaalsContact SD-CB 3.54Å; M204-W207 HydrophobicContact SD-CD2 3.6Å; M204-W207 VanDerWaalsContact SD-CD2 3.6Å; M204-W207 HydrophobicContact SD-CE3 3.46Å; M204-W207 HydrophobicContact SD-CG 3.65Å; M204-W207 HydrophobicContact SD-CZ3 4.38Å; W207-V210 HydrophobicContact CB-CG2 3.75Å; W207-V210 HydrophobicContact CG-CB 4.38Å; W207-V210 HydrophobicContact CG-CG2 4.07Å
208	Q	89.9	Confident	83.1	Confident	96 Å²	96	67.4 Å²	67.4	45%	0.449	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.8	169	-173.4	167.7	-3.3	0	0	107.9	S36 S37 Y38 V210	S36-Q208 WeakPolarHBondContact O-CB 3.39Å; S36-Q208 PolarHBondContact OG-NE2 3.35Å; S37-Q208 CarbonylContact C-O 3.59Å; S37-Q208 VanDerWaalsContact CA-O 3.23Å; S37-Q208 WeakPolarHBondContact CA-O 3.07Å; Y38-Q208 HydrophobicContact CD1-CB 4.13Å; Y38-Q208 HydrophobicContact CE1-CB 3.66Å; Y38-Q208 PolarHBondContact N-O 2.86Å; Y38-Q208 PolarHBondContact O-N 3.48Å; Y38-Q208 VanDerWaalsContact O-O 3.09Å; Q208-V210 VanDerWaalsContact C-N 3.35Å; Q208-V210 PolarHBondContact O-N 3.31Å
209	G	86.6	Confident	82.7	Confident	13 Å²	13	69.4 Å²	69.4	13%	0.134	41%	0.406	C	S	.	.	S	Bend	trans	65.2	34.1	-177.6	0	0	0	0	0	114.7	E32 S37	E32-G209 VanDerWaalsContact CD-CA 3.49Å; E32-G209 WeakPolarHBondContact CG-O 3.11Å; E32-G209 PolarHBondContact N-O 3.32Å; E32-G209 WeakPolarHBondContact OE1-CA 3.46Å; S37-G209 PolarHBondContact OG-O 3.33Å
210	V	87.9	Confident	81.8	Confident	33 Å²	33	72.7 Å²	72.7	20%	0.2	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.2	173.3	168.9	0	0	0	0	109	L29 T30 L31 W207 Q208	L29-V210 HydrophobicContact CD1-CB 4.1Å; L29-V210 HydrophobicContact CD1-CG1 3.16Å; L29-V210 HydrophobicContact CD1-CG2 3.76Å; L29-V210 HydrophobicContact CG-CG1 4.17Å; L29-V210 HydrophobicContact CG-CG2 4.34Å; T30-V210 CarbonylContact O-C 3.6Å; T30-V210 WeakPolarHBondContact O-CA 3.07Å; L31-V210 HydrophobicContact CD2-CG2 3.91Å; W207-V210 HydrophobicContact CB-CG2 3.75Å; W207-V210 HydrophobicContact CG-CB 4.38Å; W207-V210 HydrophobicContact CG-CG2 4.07Å; Q208-V210 VanDerWaalsContact C-N 3.35Å; Q208-V210 PolarHBondContact O-N 3.31Å
211	R	84.4	Confident	80.6	Confident	21 Å²	21	73 Å²	73	8%	0.079	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.4	-174.7	-60.6	-172	-63.8	147.9	0.1	112.5	T30 E32 T215 S228 D230	T30-R211 HydrophobicContact CG2-CB 4.42Å; T30-R211 VanDerWaalsContact CG2-NH2 3.31Å; T30-R211 PolarHBondContact O-N 2.76Å; E32-R211 HydrophobicContact CB-CG 3.85Å; R211-T215 PolarHBondContact NH1-O 2.8Å; R211-S228 WeakPolarHBondContact CD-O 3.27Å; R211-S228 PolarHBondContact NE-O 3.21Å; R211-S228 VanDerWaalsContact NE-O 3.17Å; R211-S228 PolarHBondContact NH1-O 3.46Å; R211-D230 WeakPolarHBondContact CB-OD1 3.41Å
212	A	75.2	Confident	79.4	Confident	101 Å²	101	76.9 Å²	76.9	84%	0.835	43%	0.428	S	S	*	.	S	Bend	trans	-80.9	-24.1	172.8	0	0	0	0	0	112.8	D230	A212-D230 PolarHBondContact N-OD1 3.34Å; A212-D230 PolarHBondContact N-OD2 2.02Å
213	S	72.7	Confident	78.3	Confident	40 Å²	40	85 Å²	85	28%	0.28	46%	0.456	S	S	.	.			trans	-117.4	145.3	-177.4	-175.7	0	0	0	0	112.3	T215	S213-T215 VanDerWaalsContact C-N 3.29Å; S213-T215 WeakPolarHBondContact OG-CB 3.39Å; S213-T215 PolarHBondContact OG-N 2.75Å; S213-T215 PolarHBondContact OG-OG1 3.19Å
214	D	71.4	Confident	77.7	Confident	97 Å²	97	82.7 Å²	82.7	52%	0.519	44%	0.439	S	S	.	.			trans	-88.7	8.9	171.6	76.5	-21.9	0	0	0	113.7	K57 D216	K57-D214 IonicContact NZ-OD2 3.11Å; K57-D214 PolarHBondContact NZ-OD2 2.88Å; D214-D216 PolarHBondContact O-N 3.49Å
215	T	76.8	Confident	77.1	Confident	64 Å²	64	83.2 Å²	83.2	39%	0.393	45%	0.452	S	S	.	.			trans	-61.1	132.3	176	-51.2	0	0	0	0	110.8	R211 S213 Y217	R211-T215 PolarHBondContact NH1-O 2.8Å; S213-T215 VanDerWaalsContact C-N 3.29Å; S213-T215 WeakPolarHBondContact OG-CB 3.39Å; S213-T215 PolarHBondContact OG-N 2.75Å; S213-T215 PolarHBondContact OG-OG1 3.19Å; T215-Y217 HydrophobicContact CG2-CD1 4.33Å; T215-Y217 HydrophobicContact CG2-CE1 3.97Å
216	D	75.1	Confident	76.6	Confident	61 Å²	61	80.3 Å²	80.3	33%	0.326	44%	0.439	S	S	.	.			trans	-101.7	94.9	178.4	-170.7	12.5	0	0	0	111.1	D214 C218 S228	D214-D216 PolarHBondContact O-N 3.49Å; D216-C218 VanDerWaalsContact C-N 3.27Å; D216-C218 PolarHBondContact O-N 2.69Å; D216-C218 PolarHBondContact OD1-N 3.36Å; D216-S228 PolarHBondContact OD1-OG 3.22Å
217	Y	77.4	Confident	76	Confident	95 Å²	95	78.5 Å²	78.5	37%	0.373	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-71.8	-16.7	178.3	-61.4	-69.6	0	0	0	114	T215 A219 S228 S229	T215-Y217 HydrophobicContact CG2-CD1 4.33Å; T215-Y217 HydrophobicContact CG2-CE1 3.97Å; Y217-A219 VanDerWaalsContact C-N 3.35Å; Y217-S228 PolarHBondContact N-OG 2.66Å; Y217-S229 VanDerWaalsContact CD2-O 3.27Å; Y217-S229 WeakPolarHBondContact CD2-O 2.99Å; Y217-S229 WeakPolarHBondContact CE2-O 3.38Å
218	C	79.5	Confident	75.5	Confident	22 Å²	22	71.5 Å²	71.5	15%	0.149	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-83.1	-8.4	179.3	-66	0	0	0	0	113.7	D216 L220 N221 C226 Y227 S228	D216-C218 VanDerWaalsContact C-N 3.27Å; D216-C218 PolarHBondContact O-N 2.69Å; D216-C218 PolarHBondContact OD1-N 3.36Å; C218-L220 PolarHBondContact O-N 2.98Å; C218-N221 PolarHBondContact O-N 2.82Å; C218-C226 HydrophobicContact CB-CB 3.83Å; C218-C226 WeakPolarHBondContact CB-SG 3.19Å; C218-C226 WeakPolarHBondContact SG-CB 3.18Å; C218-C226 CovalentContact SG-SG 2.04Å; C218-C226 PolarHBondContact SG-SG 3.42Å; C218-Y227 VanDerWaalsContact SG-CA 3.57Å; C218-Y227 PolarHBondContact SG-N 3.37Å; C218-Y227 VanDerWaalsContact SG-N 3.38Å; C218-S228 PolarHBondContact N-OG 2.92Å; C218-S228 VanDerWaalsContact N-OG 3.1Å; C218-S228 PolarHBondContact SG-N 3.16Å
219	A	71	Confident	74.9	Confident	73 Å²	73	67.3 Å²	67.3	60%	0.603	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-60.2	-11	-174.8	0	0	0	0	0	115.4	Y217	Y217-A219 VanDerWaalsContact C-N 3.35Å
220	L	65.3	Low	74.4	Confident	163 Å²	163	70.9 Å²	70.9	85%	0.853	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-120.5	0.7	-175.1	-81.1	151.6	0	0	0	114.7	C218	C218-L220 PolarHBondContact O-N 2.98Å
221	N	58	Low	73.8	Confident	85 Å²	85	76 Å²	76	46%	0.455	43%	0.431	S	S	.	.			trans	-144	117.2	-171.8	-92.5	-22.5	0	0	0	113.6	C218 Y223	C218-N221 PolarHBondContact O-N 2.82Å; N221-Y223 HydrophobicContact CB-CD2 4.19Å; N221-Y223 WeakPolarHBondContact OD1-CE2 3.34Å
222	D	60	Low	73.3	Confident	165 Å²	165	75.4 Å²	75.4	88%	0.882	43%	0.432	S	S	*	.			trans	-105.6	28.1	-173.5	-142.6	11.7	0	0	0	113.6
223	Y	64.4	Low	73.5	Confident	198 Å²	198	74 Å²	74	78%	0.776	41%	0.414	S	S	*	.	S	Bend	trans	-91.7	-10.9	-166.5	-66.3	-76.7	0	0	0	115.4	N221	N221-Y223 HydrophobicContact CB-CD2 4.19Å; N221-Y223 WeakPolarHBondContact OD1-CE2 3.34Å
224	C	74.7	Confident	73.7	Confident	35 Å²	35	73 Å²	73	24%	0.236	41%	0.409	C	S	.	.	S	Bend	trans	-157.2	175.5	179.3	70.1	0	0	0	0	109.9	C226 C235	C224-C226 PolarHBondContact O-N 3.07Å; C224-C235 HydrophobicContact CB-CB 3.7Å; C224-C235 WeakPolarHBondContact CB-SG 3.4Å; C224-C235 WeakPolarHBondContact SG-CB 3.29Å; C224-C235 CovalentContact SG-SG 2.02Å; C224-C235 PolarHBondContact SG-SG 2.87Å
225	A	75.1	Confident	74	Confident	65 Å²	65	69.7 Å²	69.7	54%	0.537	39%	0.393	S	S	.	.	S	Bend	trans	-67.5	79.8	165.4	0	0	0	0	0	109.8	N236	A225-N236 HydrophobicContact CB-CB 4.21Å; A225-N236 PolarHBondContact O-N 3.39Å
226	C	80.3	Confident	73.7	Confident	29 Å²	29	69.1 Å²	69.1	20%	0.196	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.3	-170.8	-172.9	0	0	0	0	111.3	C218 C224 A234	C218-C226 HydrophobicContact CB-CB 3.83Å; C218-C226 WeakPolarHBondContact CB-SG 3.19Å; C218-C226 WeakPolarHBondContact SG-CB 3.18Å; C218-C226 CovalentContact SG-SG 2.04Å; C218-C226 PolarHBondContact SG-SG 3.42Å; C224-C226 PolarHBondContact O-N 3.07Å; C226-A234 CarbonylContact C-O 3.55Å; C226-A234 VanDerWaalsContact CA-O 3.28Å; C226-A234 WeakPolarHBondContact CA-O 3.35Å
227	Y	79.1	Confident	73.3	Confident	45 Å²	45	68.2 Å²	68.2	18%	0.176	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.1	163.9	66.1	-87.7	0	0	0	109.9	E32 S34 C218 A234 N236	E32-Y227 HydrophobicContact CB-CD2 4.33Å; E32-Y227 HydrophobicContact CG-CD2 3.93Å; E32-Y227 HydrophobicContact CG-CE2 4.3Å; E32-Y227 WeakPolarHBondContact O-CB 2.98Å; S34-Y227 VanDerWaalsContact CB-CE2 3.47Å; C218-Y227 VanDerWaalsContact SG-CA 3.57Å; C218-Y227 PolarHBondContact SG-N 3.37Å; C218-Y227 VanDerWaalsContact SG-N 3.38Å; Y227-A234 HydrophobicContact CD1-CB 4.29Å; Y227-A234 WeakPolarHBondContact CD1-O 3.45Å; Y227-A234 HydrophobicContact CD2-CB 4.16Å; Y227-A234 HydrophobicContact CE1-CB 3.73Å; Y227-A234 HydrophobicContact CE2-CB 3.57Å; Y227-A234 HydrophobicContact CG-CB 4.48Å; Y227-A234 PolarHBondContact N-O 2.8Å; Y227-A234 PolarHBondContact O-N 3.35Å; Y227-N236 WeakPolarHBondContact CE1-OD1 3Å
228	S	79.9	Confident	72.7	Confident	0 Å²	0	67 Å²	67	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.8	179.1	-69.4	0	0	0	0	108.3	E32 R211 D216 Y217 C218	E32-S228 WeakPolarHBondContact CB-O 3.16Å; R211-S228 WeakPolarHBondContact CD-O 3.27Å; R211-S228 PolarHBondContact NE-O 3.21Å; R211-S228 VanDerWaalsContact NE-O 3.17Å; R211-S228 PolarHBondContact NH1-O 3.46Å; D216-S228 PolarHBondContact OD1-OG 3.22Å; Y217-S228 PolarHBondContact N-OG 2.66Å; C218-S228 PolarHBondContact N-OG 2.92Å; C218-S228 VanDerWaalsContact N-OG 3.1Å; C218-S228 PolarHBondContact SG-N 3.16Å
229	S	77.4	Confident	71.6	Confident	9 Å²	9	72 Å²	72	6%	0.063	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	170	175.8	76.4	0	0	0	0	111.1	Y217 T231 G232	Y217-S229 VanDerWaalsContact CD2-O 3.27Å; Y217-S229 WeakPolarHBondContact CD2-O 2.99Å; Y217-S229 WeakPolarHBondContact CE2-O 3.38Å; S229-T231 PolarHBondContact O-N 3.45Å; S229-T231 VanDerWaalsContact O-N 3.13Å; S229-T231 PolarHBondContact OG-N 3.13Å; S229-T231 VanDerWaalsContact OG-N 3.13Å; S229-T231 PolarHBondContact OG-OG1 3.05Å; S229-G232 WeakPolarHBondContact CB-O 3.27Å; S229-G232 PolarHBondContact N-O 2.81Å; S229-G232 PolarHBondContact O-N 2.04Å; S229-G232 VanDerWaalsContact O-N 3.15Å; S229-G232 PolarHBondContact OG-N 2.84Å; S229-G232 PolarHBondContact OG-O 3.12Å
230	D	77.6	Confident	70.6	Confident	87 Å²	87	72 Å²	72	47%	0.465	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	171.9	-74.2	-24	0	0	0	113.1	R211 A212	R211-D230 WeakPolarHBondContact CB-OD1 3.41Å; A212-D230 PolarHBondContact N-OD1 3.34Å; A212-D230 PolarHBondContact N-OD2 2.02Å
231	T	74.5	Confident	70.3	Confident	140 Å²	140	70.4 Å²	70.4	86%	0.859	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	1.5	177.2	61.7	0	0	0	0	114.3	S229	S229-T231 PolarHBondContact O-N 3.45Å; S229-T231 VanDerWaalsContact O-N 3.13Å; S229-T231 PolarHBondContact OG-N 3.13Å; S229-T231 VanDerWaalsContact OG-N 3.13Å; S229-T231 PolarHBondContact OG-OG1 3.05Å
232	G	74.6	Confident	70.2	Confident	9 Å²	9	68.2 Å²	68.2	9%	0.093	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.8	-164.6	-174.8	0	0	0	0	0	113.3	S229	S229-G232 WeakPolarHBondContact CB-O 3.27Å; S229-G232 PolarHBondContact N-O 2.81Å; S229-G232 PolarHBondContact O-N 2.04Å; S229-G232 VanDerWaalsContact O-N 3.15Å; S229-G232 PolarHBondContact OG-N 2.84Å; S229-G232 PolarHBondContact OG-O 3.12Å
233	P	78.5	Confident	70.3	Confident	72 Å²	72	61.9 Å²	61.9	47%	0.468	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.7	-179.1	30.4	-31.4	0	0	0	111
234	A	76.3	Confident	70.5	Confident	20 Å²	20	57.7 Å²	57.7	17%	0.165	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.8	178.7	0	0	0	0	0	110.7	C226 Y227	C226-A234 CarbonylContact C-O 3.55Å; C226-A234 VanDerWaalsContact CA-O 3.28Å; C226-A234 WeakPolarHBondContact CA-O 3.35Å; Y227-A234 HydrophobicContact CD1-CB 4.29Å; Y227-A234 WeakPolarHBondContact CD1-O 3.45Å; Y227-A234 HydrophobicContact CD2-CB 4.16Å; Y227-A234 HydrophobicContact CE1-CB 3.73Å; Y227-A234 HydrophobicContact CE2-CB 3.57Å; Y227-A234 HydrophobicContact CG-CB 4.48Å; Y227-A234 PolarHBondContact N-O 2.8Å; Y227-A234 PolarHBondContact O-N 3.35Å
235	C	77.9	Confident	70.4	Confident	26 Å²	26	65 Å²	65	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.6	-174.2	-63.4	0	0	0	0	112.1	C224 C237	C224-C235 HydrophobicContact CB-CB 3.7Å; C224-C235 WeakPolarHBondContact CB-SG 3.4Å; C224-C235 WeakPolarHBondContact SG-CB 3.29Å; C224-C235 CovalentContact SG-SG 2.02Å; C224-C235 PolarHBondContact SG-SG 2.87Å; C235-C237 PolarHBondContact O-N 2.59Å
236	N	72	Confident	70.1	Confident	52 Å²	52	62.3 Å²	62.3	28%	0.278	35%	0.347	S	S	.	.			trans	-79.7	97.9	162.5	-79.5	-31.6	0	0	0	108.4	G33 S35 A225 Y227	G33-N236 PolarHBondContact O-ND2 2.91Å; S35-N236 PolarHBondContact N-OD1 3.16Å; A225-N236 HydrophobicContact CB-CB 4.21Å; A225-N236 PolarHBondContact O-N 3.39Å; Y227-N236 WeakPolarHBondContact CE1-OD1 3Å
237	C	66.3	Low	69.4	Low	43 Å²	43	66.2 Å²	66.2	29%	0.291	36%	0.362	S	S	.	.			trans	-79.8	137.2	179.5	-61.2	0	0	0	0	112.4	C235 C246	C235-C237 PolarHBondContact O-N 2.59Å; C237-C246 WeakPolarHBondContact CA-SG 3.45Å; C237-C246 HydrophobicContact CB-CB 3.8Å; C237-C246 WeakPolarHBondContact CB-SG 3.47Å; C237-C246 WeakPolarHBondContact SG-CA 3.21Å; C237-C246 WeakPolarHBondContact SG-CB 3.32Å; C237-C246 PolarHBondContact SG-N 2.96Å; C237-C246 CovalentContact SG-SG 2.04Å; C237-C246 PolarHBondContact SG-SG 3.32Å
238	P	63.9	Low	68.4	Low	70 Å²	70	68.3 Å²	68.3	46%	0.455	38%	0.375	S	S	.	.			trans	-62	155.3	170.9	26.6	-32.3	0	0	0	110.5	D240 R241	P238-D240 VanDerWaalsContact CB-OD1 3.28Å; P238-D240 WeakPolarHBondContact CB-OD1 3.45Å; P238-D240 WeakPolarHBondContact CG-OD1 3.31Å; P238-D240 PolarHBondContact O-N 3.15Å; P238-R241 HydrophobicContact CG-CB 4.34Å; P238-R241 HydrophobicContact CG-CG 4.37Å; P238-R241 PolarHBondContact O-N 3.02Å
239	N	56.3	Low	67.1	Low	125 Å²	125	70.8 Å²	70.8	67%	0.668	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24	-169.6	-75.3	-21.8	0	0	0	114.1	K250	N239-K250 WeakPolarHBondContact O-CD 3.19Å; N239-K250 WeakPolarHBondContact O-CE 3.29Å; N239-K250 PolarHBondContact O-NZ 3.32Å
240	D	51	Low	65.7	Low	73 Å²	73	74.1 Å²	74.1	39%	0.39	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.6	178.8	68.8	-38.4	0	0	0	114.2	P238 K250 F252	P238-D240 VanDerWaalsContact CB-OD1 3.28Å; P238-D240 WeakPolarHBondContact CB-OD1 3.45Å; P238-D240 WeakPolarHBondContact CG-OD1 3.31Å; P238-D240 PolarHBondContact O-N 3.15Å; D240-K250 WeakPolarHBondContact O-CB 3.49Å; D240-K250 PolarHBondContact O-N 3.49Å; D240-F252 HydrophobicContact CB-CE2 4.49Å; D240-F252 HydrophobicContact CB-CZ 4.47Å
241	R	58.2	Low	64.3	Low	131 Å²	131	73.4 Å²	73.4	49%	0.494	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	161.2	-179.9	-60.2	-166.1	-173.5	-178	-2.6	112.4	P238 C246 I248 K250	P238-R241 HydrophobicContact CG-CB 4.34Å; P238-R241 HydrophobicContact CG-CG 4.37Å; P238-R241 PolarHBondContact O-N 3.02Å; R241-C246 HydrophobicContact CB-CB 4.17Å; R241-C246 WeakPolarHBondContact CD-O 3.38Å; R241-I248 CarbonylContact C-O 3.48Å; R241-I248 VanDerWaalsContact CA-O 3.28Å; R241-I248 WeakPolarHBondContact CA-O 3.33Å; R241-K250 VanDerWaalsContact O-CE 3.23Å; R241-K250 WeakPolarHBondContact O-CE 3.38Å
242	S	57.3	Low	63.5	Low	39 Å²	39	67.8 Å²	67.8	27%	0.273	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	180	176.2	58.7	0	0	0	0	109.1	C246 E247 I248	S242-C246 CarbonylContact O-C 3.59Å; S242-C246 WeakPolarHBondContact O-CA 3Å; S242-E247 PolarHBondContact O-N 3.4Å; S242-I248 PolarHBondContact N-O 3.04Å; S242-I248 WeakPolarHBondContact O-CA 3.37Å; S242-I248 WeakPolarHBondContact O-CB 3.41Å; S242-I248 PolarHBondContact O-N 2.78Å; S242-I248 WeakPolarHBondContact OG-CB 3.25Å; S242-I248 PolarHBondContact OG-O 2.83Å
243	G	61.3	Low	62.6	Low	31 Å²	31	67.6 Å²	67.6	32%	0.32	38%	0.377	S	S	.	.	S	Bend	trans	99.5	166.2	-172	0	0	0	0	0	111.9	R245 C246 E247	G243-R245 PolarHBondContact O-N 3.35Å; G243-C246 PolarHBondContact O-N 3.34Å; G243-E247 WeakPolarHBondContact CA-OE1 3.42Å; G243-E247 WeakPolarHBondContact CA-OE2 3.02Å
244	T	69.3	Low	61.4	Low	110 Å²	110	66.3 Å²	66.3	68%	0.675	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.9	-174.1	55	0	0	0	0	113	E247	T244-E247 PolarHBondContact N-OE1 2.94Å; T244-E247 VanDerWaalsContact N-OE1 3.14Å; T244-E247 PolarHBondContact N-OE2 2.97Å
245	R	71.1	Confident	60.4	Low	188 Å²	188	66.5 Å²	66.5	71%	0.709	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	21.7	-179.1	-52.5	-178.4	-164.4	-176.7	2.8	111.3	G243 E247	G243-R245 PolarHBondContact O-N 3.35Å; R245-E247 WeakPolarHBondContact CA-OE2 3.4Å; R245-E247 WeakPolarHBondContact CB-OE2 3.05Å; R245-E247 PolarHBondContact N-OE2 2.88Å; R245-E247 PolarHBondContact O-N 2.87Å
246	C	69.7	Low	58.9	Low	10 Å²	10	66 Å²	66	7%	0.068	36%	0.358	C	S	.	.	S	Bend	trans	58.3	34.1	-177.6	-41.4	0	0	0	0	114	C237 R241 S242 G243	C237-C246 WeakPolarHBondContact CA-SG 3.45Å; C237-C246 HydrophobicContact CB-CB 3.8Å; C237-C246 WeakPolarHBondContact CB-SG 3.47Å; C237-C246 WeakPolarHBondContact SG-CA 3.21Å; C237-C246 WeakPolarHBondContact SG-CB 3.32Å; C237-C246 PolarHBondContact SG-N 2.96Å; C237-C246 CovalentContact SG-SG 2.04Å; C237-C246 PolarHBondContact SG-SG 3.32Å; R241-C246 HydrophobicContact CB-CB 4.17Å; R241-C246 WeakPolarHBondContact CD-O 3.38Å; S242-C246 CarbonylContact O-C 3.59Å; S242-C246 WeakPolarHBondContact O-CA 3Å; G243-C246 PolarHBondContact O-N 3.34Å
247	E	66	Low	57.8	Low	110 Å²	110	65.6 Å²	65.6	51%	0.514	36%	0.359	S	S	.	.			trans	-83.9	-18.5	-175.1	68	-78.1	-172.4	0	0	114.1	S242 G243 T244 R245	S242-E247 PolarHBondContact O-N 3.4Å; G243-E247 WeakPolarHBondContact CA-OE1 3.42Å; G243-E247 WeakPolarHBondContact CA-OE2 3.02Å; T244-E247 PolarHBondContact N-OE1 2.94Å; T244-E247 VanDerWaalsContact N-OE1 3.14Å; T244-E247 PolarHBondContact N-OE2 2.97Å; R245-E247 WeakPolarHBondContact CA-OE2 3.4Å; R245-E247 WeakPolarHBondContact CB-OE2 3.05Å; R245-E247 PolarHBondContact N-OE2 2.88Å; R245-E247 PolarHBondContact O-N 2.87Å
248	I	57.4	Low	56.6	Low	89 Å²	89	71.2 Å²	71.2	46%	0.456	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.4	-174	-50.1	177.9	0	0	0	109.7	R241 S242	R241-I248 CarbonylContact C-O 3.48Å; R241-I248 VanDerWaalsContact CA-O 3.28Å; R241-I248 WeakPolarHBondContact CA-O 3.33Å; S242-I248 PolarHBondContact N-O 3.04Å; S242-I248 WeakPolarHBondContact O-CA 3.37Å; S242-I248 WeakPolarHBondContact O-CB 3.41Å; S242-I248 PolarHBondContact O-N 2.78Å; S242-I248 WeakPolarHBondContact OG-CB 3.25Å; S242-I248 PolarHBondContact OG-O 2.83Å
249	G	51.8	Low	55.6	Low	52 Å²	52	69.9 Å²	69.9	54%	0.536	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.7	169.1	0	0	0	0	0	111.6
250	K	49.7	Very low	54.9	Low	79 Å²	79	71.6 Å²	71.6	34%	0.343	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-73	133.9	172.3	-65.3	-178	-169.7	159.3	0	108.8	N239 D240 R241 F252	N239-K250 WeakPolarHBondContact O-CD 3.19Å; N239-K250 WeakPolarHBondContact O-CE 3.29Å; N239-K250 PolarHBondContact O-NZ 3.32Å; D240-K250 WeakPolarHBondContact O-CB 3.49Å; D240-K250 PolarHBondContact O-N 3.49Å; R241-K250 VanDerWaalsContact O-CE 3.23Å; R241-K250 WeakPolarHBondContact O-CE 3.38Å; K250-F252 HydrophobicContact CB-CE1 4.13Å; K250-F252 HydrophobicContact CB-CE2 4.06Å; K250-F252 HydrophobicContact CB-CZ 3.61Å; K250-F252 VanDerWaalsContact O-CD2 3.23Å; K250-F252 WeakPolarHBondContact O-CD2 3.29Å; K250-F252 WeakPolarHBondContact O-CE2 3.4Å
251	S	48.3	Very low	54.6	Low	73 Å²	73	73 Å²	73	51%	0.51	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-85.5	146.3	175.8	-61.2	0	0	0	0	110.3	I382	S251-I382 WeakPolarHBondContact O-CD1 3.35Å
252	F	56.5	Low	53.6	Low	22 Å²	22	70.9 Å²	70.9	10%	0.096	37%	0.367	C	S	.	.			trans	-135.6	155.8	-175.9	-54.3	-77.6	0	0	0	111.5	D240 K250 W318 R401 C403	D240-F252 HydrophobicContact CB-CE2 4.49Å; D240-F252 HydrophobicContact CB-CZ 4.47Å; K250-F252 HydrophobicContact CB-CE1 4.13Å; K250-F252 HydrophobicContact CB-CE2 4.06Å; K250-F252 HydrophobicContact CB-CZ 3.61Å; K250-F252 VanDerWaalsContact O-CD2 3.23Å; K250-F252 WeakPolarHBondContact O-CD2 3.29Å; K250-F252 WeakPolarHBondContact O-CE2 3.4Å; F252-W318 HydrophobicContact CB-CH2 4.34Å; F252-W318 AromaticContact CD1-CH2 3.2Å; F252-W318 HydrophobicContact CD1-CH2 3.2Å; F252-W318 AromaticContact CD1-CZ2 3.61Å; F252-W318 HydrophobicContact CD1-CZ2 3.61Å; F252-W318 HydrophobicContact CD1-CZ3 4.02Å; F252-W318 AromaticContact CE1-CH2 3.56Å; F252-W318 HydrophobicContact CE1-CH2 3.56Å; F252-W318 AromaticContact CE1-CZ2 3.61Å; F252-W318 HydrophobicContact CE1-CZ2 3.61Å; F252-W318 HydrophobicContact CE1-CZ3 4.22Å; F252-W318 AromaticContact CG-CH2 3.89Å; F252-W318 HydrophobicContact CG-CH2 3.89Å; F252-W318 HydrophobicContact CG-CZ2 4.11Å; F252-W318 HydrophobicContact CZ-CH2 4.48Å; F252-W318 HydrophobicContact CZ-CZ2 4.12Å; F252-R401 CarbonylContact O-C 3.54Å; F252-R401 WeakPolarHBondContact O-CA 3.12Å; F252-C403 HydrophobicContact CB-CB 3.78Å; F252-C403 WeakPolarHBondContact CB-SG 3.37Å; F252-C403 HydrophobicContact CD2-CB 3.86Å; F252-C403 HydrophobicContact CG-CB 3.91Å
253	L	55.5	Low	52.7	Low	5 Å²	5	77.2 Å²	77.2	3%	0.026	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.2	171.1	-65.2	172.2	0	0	0	109.6	F255 C367 A368 L381 I382 L385 L399	L253-F255 HydrophobicContact CB-CD2 4.33Å; L253-F255 HydrophobicContact CB-CE2 3.71Å; L253-F255 HydrophobicContact CB-CZ 4.14Å; L253-F255 HydrophobicContact CD1-CE2 4.39Å; L253-F255 HydrophobicContact CD1-CZ 4.11Å; L253-C367 WeakPolarHBondContact O-CA 3.17Å; L253-A368 PolarHBondContact N-O 3.35Å; L253-A368 VanDerWaalsContact N-O 3.09Å; L253-A368 PolarHBondContact O-N 2.77Å; L253-L381 HydrophobicContact CD1-CD2 3.92Å; L253-L381 HydrophobicContact CD1-CG 4.23Å; L253-I382 HydrophobicContact CD1-CG1 4.06Å; L253-I382 HydrophobicContact CG-CD1 4.33Å; L253-I382 HydrophobicContact CG-CG1 3.96Å; L253-L385 HydrophobicContact CD1-CD1 3.67Å; L253-L385 HydrophobicContact CD2-CD1 3.99Å; L253-L385 HydrophobicContact CG-CD1 4.49Å; L253-L399 HydrophobicContact CD2-CD1 4.4Å; L253-L399 HydrophobicContact CD2-CD2 3.74Å; L253-L399 HydrophobicContact CD2-CG 4.07Å
254	F	54.9	Low	51.3	Low	44 Å²	44	81.5 Å²	81.5	19%	0.193	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.4	167.5	-178.8	-103.2	0	0	0	109.2	K365 G400	F254-K365 HydrophobicContact CE2-CB 4.2Å; F254-K365 HydrophobicContact CZ-CB 3.95Å; F254-K365 HydrophobicContact CZ-CD 4.16Å; F254-K365 HydrophobicContact CZ-CG 4.3Å; F254-G400 PolarHBondContact N-O 3.3Å; F254-G400 PolarHBondContact O-N 3.22Å
255	F	53.3	Low	49.6	Very low	24 Å²	24	88.3 Å²	88.3	11%	0.105	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	104.4	174.8	-68.5	-88.9	0	0	0	108.9	L253 Y259 K365 F366 A368 L399	L253-F255 HydrophobicContact CB-CD2 4.33Å; L253-F255 HydrophobicContact CB-CE2 3.71Å; L253-F255 HydrophobicContact CB-CZ 4.14Å; L253-F255 HydrophobicContact CD1-CE2 4.39Å; L253-F255 HydrophobicContact CD1-CZ 4.11Å; F255-Y259 HydrophobicContact CB-CD2 4.35Å; F255-Y259 AromaticContact CD1-CD2 3.8Å; F255-Y259 HydrophobicContact CD1-CD2 3.8Å; F255-Y259 HydrophobicContact CD1-CE2 4.43Å; F255-Y259 HydrophobicContact CD1-CG 4.22Å; F255-K365 VanDerWaalsContact O-CA 3.25Å; F255-K365 WeakPolarHBondContact O-CA 3.2Å; F255-F366 HydrophobicContact CB-CD1 4.26Å; F255-F366 HydrophobicContact CB-CE1 3.93Å; F255-F366 HydrophobicContact CB-CZ 4.17Å; F255-F366 HydrophobicContact CD2-CD2 4.28Å; F255-F366 HydrophobicContact CD2-CE1 4.32Å; F255-F366 AromaticContact CD2-CE2 3.7Å; F255-F366 HydrophobicContact CD2-CE2 3.7Å; F255-F366 AromaticContact CD2-CZ 3.71Å; F255-F366 HydrophobicContact CD2-CZ 3.71Å; F255-F366 HydrophobicContact CE2-CE2 4.18Å; F255-F366 HydrophobicContact CE2-CZ 4.32Å; F255-F366 HydrophobicContact CG-CE1 4.24Å; F255-F366 HydrophobicContact CG-CE2 4.4Å; F255-F366 AromaticContact CG-CZ 3.98Å; F255-F366 HydrophobicContact CG-CZ 3.98Å; F255-F366 PolarHBondContact N-O 2.99Å; F255-F366 PolarHBondContact O-N 3.22Å; F255-A368 HydrophobicContact CE2-CB 4.22Å; F255-L399 HydrophobicContact CD1-CD1 4.19Å; F255-L399 HydrophobicContact CE1-CD1 4.12Å
256	S	47.5	Very low	47.9	Very low	16 Å²	16	90.9 Å²	90.9	11%	0.112	44%	0.438	C	S	.	.			trans	-75.3	161.2	162.6	69	0	0	0	0	111.7	F258 Y259 N398	S256-F258 PolarHBondContact O-N 2.75Å; S256-Y259 VanDerWaalsContact O-CD2 3.25Å; S256-Y259 WeakPolarHBondContact O-CD2 3.38Å; S256-Y259 WeakPolarHBondContact O-CE2 3.19Å; S256-Y259 PolarHBondContact OG-OH 3.14Å; S256-N398 WeakPolarHBondContact OG-CB 3.18Å; S256-N398 PolarHBondContact OG-O 3.49Å
257	S	48.8	Very low	46.2	Very low	44 Å²	44	103 Å²	103	31%	0.308	48%	0.482	S	S	.	.	S	Bend	trans	-48	131.5	175.8	-54	0	0	0	0	112.4
258	F	41.8	Very low	44.9	Very low	161 Å²	161	101 Å²	101	71%	0.706	49%	0.491	S	S	*	.			trans	78.1	92.3	-175.6	-65.5	-92.5	0	0	0	117.9	S256	S256-F258 PolarHBondContact O-N 2.75Å
259	Y	41.8	Very low	43.7	Very low	42 Å²	42	102.1 Å²	102.1	17%	0.165	51%	0.514	C	S	.	.			trans	-128.7	136.7	159.9	-75.6	-75.1	0	0	0	113.6	F255 S256 V394 N398 L399	F255-Y259 HydrophobicContact CB-CD2 4.35Å; F255-Y259 AromaticContact CD1-CD2 3.8Å; F255-Y259 HydrophobicContact CD1-CD2 3.8Å; F255-Y259 HydrophobicContact CD1-CE2 4.43Å; F255-Y259 HydrophobicContact CD1-CG 4.22Å; S256-Y259 VanDerWaalsContact O-CD2 3.25Å; S256-Y259 WeakPolarHBondContact O-CD2 3.38Å; S256-Y259 WeakPolarHBondContact O-CE2 3.19Å; S256-Y259 PolarHBondContact OG-OH 3.14Å; Y259-V394 HydrophobicContact CD1-CG1 4.3Å; Y259-V394 HydrophobicContact CE1-CG1 3.95Å; Y259-N398 WeakPolarHBondContact OH-CA 3.49Å; Y259-N398 PolarHBondContact OH-N 3.06Å; Y259-N398 PolarHBondContact OH-O 3.29Å; Y259-L399 HydrophobicContact CE1-CB 4.22Å; Y259-L399 HydrophobicContact CE1-CD1 4.26Å; Y259-L399 HydrophobicContact CE2-CD1 4.46Å; Y259-L399 PolarHBondContact OH-N 2.7Å
260	R	41	Very low	43.5	Very low	160 Å²	160	105.7 Å²	105.7	60%	0.604	52%	0.516	S	S	*	.			trans	-131.8	106.6	174.3	-141.8	179.8	-168.4	-159.7	11.2	109.6	L262 V395	R260-L262 HydrophobicContact CG-CD1 4.04Å; R260-L262 HydrophobicContact CG-CG 4.05Å; R260-L262 PolarHBondContact O-N 3.45Å; R260-V395 PolarHBondContact N-O 2.82Å; R260-V395 WeakPolarHBondContact O-CB 3.13Å
261	L	44.7	Very low	43.5	Very low	102 Å²	102	109.9 Å²	109.9	53%	0.534	53%	0.534	S	S	.	.			trans	-76.3	104.5	166	-72.2	162.3	0	0	0	108	R393	L261-R393 WeakPolarHBondContact CD2-O 3.43Å
262	L	38.5	Very low	43.7	Very low	88 Å²	88	109.6 Å²	109.6	46%	0.461	53%	0.527	S	S	.	.			trans	-124	129	177.4	-86.6	175.6	0	0	0	112.9	R260	R260-L262 HydrophobicContact CG-CD1 4.04Å; R260-L262 HydrophobicContact CG-CG 4.05Å; R260-L262 PolarHBondContact O-N 3.45Å
263	Q	37.6	Very low	44	Very low	171 Å²	171	109.5 Å²	109.5	80%	0.799	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-77.5	162.6	160.4	-93.4	-172.1	-14.4	0	0	112.2
264	P	32.9	Very low	44.3	Very low	122 Å²	122	110.2 Å²	110.2	79%	0.792	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-67.2	148.8	-171.4	-14	28.4	0	0	0	114.3	R266	P264-R266 PolarHBondContact O-N 3.34Å
265	R	31.9	Very low	44.8	Very low	252 Å²	252	108.3 Å²	108.3	95%	0.951	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-50.2	120.9	178.1	-81.6	178	165.9	168.6	-3.4	113.3
266	R	35.9	Very low	45.4	Very low	243 Å²	243	108.2 Å²	108.2	92%	0.917	53%	0.526	S	S	*	.			trans	-129	133.3	146.2	-78	-168.6	177	179.6	0.4	109.6	P264	P264-R266 PolarHBondContact O-N 3.34Å
267	R	34	Very low	46.4	Very low	264 Å²	264	110.3 Å²	110.3	100%	0.996	54%	0.535	S	S	*	.	S	Bend	trans	-65.8	132.8	177.7	-72.8	178.6	-179.2	171.5	0.1	109.8
268	G	38.3	Very low	47	Very low	67 Å²	67	108.8 Å²	108.8	69%	0.691	52%	0.524	S	S	*	.			trans	133.6	92.6	175.7	0	0	0	0	0	112.1	Q270	G268-Q270 PolarHBondContact O-N 3.12Å
269	A	33.8	Very low	48	Very low	114 Å²	114	103.2 Å²	103.2	94%	0.942	50%	0.502	S	S	*	.			trans	-71.7	86.6	178.4	0	0	0	0	0	111.3
270	Q	46.4	Very low	48.7	Very low	126 Å²	126	106.6 Å²	106.6	59%	0.589	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-78.9	133.4	163	-80.8	-177.3	-18.4	0	0	109.5	G268 I272	G268-Q270 PolarHBondContact O-N 3.12Å; Q270-I272 WeakPolarHBondContact O-CG1 3.15Å; Q270-I272 PolarHBondContact O-N 3.43Å; Q270-I272 VanDerWaalsContact O-N 3.13Å
271	K	49.5	Very low	49.4	Very low	167 Å²	167	106.8 Å²	106.8	73%	0.726	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-48.5	116.3	171.3	-82.4	-179.5	175.7	178.7	0	109.9	R291	K271-R291 HydrophobicContact CB-CG 4.35Å
272	I	53.5	Low	50	Low	67 Å²	67	102.1 Å²	102.1	34%	0.344	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-97.6	132.9	-171.7	-49.3	170.3	0	0	0	108.6	Q270 R354 Y356	Q270-I272 WeakPolarHBondContact O-CG1 3.15Å; Q270-I272 PolarHBondContact O-N 3.43Å; Q270-I272 VanDerWaalsContact O-N 3.13Å; I272-R354 VanDerWaalsContact CD1-NH1 3.27Å; I272-R354 HydrophobicContact CG2-CB 3.72Å; I272-R354 HydrophobicContact CG2-CG 4.23Å; I272-Y356 VanDerWaalsContact CD1-OH 3.22Å; I272-Y356 WeakPolarHBondContact CD1-OH 3.5Å; I272-Y356 HydrophobicContact CG2-CE2 4.2Å
273	E	62	Low	50.9	Low	21 Å²	21	98.6 Å²	98.6	10%	0.098	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.7	172.1	-52.5	178.4	141.8	0	0	109.3	K289 L350 Q351 R352 R354	E273-K289 WeakPolarHBondContact CA-O 3.37Å; E273-L350 HydrophobicContact CB-CD2 3.68Å; E273-L350 HydrophobicContact CG-CD2 4.28Å; E273-L350 WeakPolarHBondContact OE2-CA 3.33Å; E273-Q351 PolarHBondContact OE2-N 2.92Å; E273-R352 PolarHBondContact OE2-N 3.05Å; E273-R354 PolarHBondContact O-N 2.85Å; E273-R354 VanDerWaalsContact O-N 3.12Å
274	S	62.2	Low	52.2	Low	20 Å²	20	90.9 Å²	90.9	14%	0.14	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.8	-172.3	65	0	0	0	0	113.6	K289 R354	S274-K289 PolarHBondContact N-O 3.46Å; S274-K289 PolarHBondContact O-N 3.17Å; S274-R354 VanDerWaalsContact CA-O 3.3Å; S274-R354 WeakPolarHBondContact CA-O 3.48Å; S274-R354 WeakPolarHBondContact CB-O 3.49Å
275	V	65.2	Low	53.7	Low	3 Å²	3	86.6 Å²	86.6	2%	0.018	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.2	164.3	179.1	0	0	0	0	107.8	V286 V287 F323 L353 F355	V275-V286 HydrophobicContact CG1-CG1 4.34Å; V275-V287 CarbonylContact C-O 3.52Å; V275-V287 VanDerWaalsContact CA-O 3.32Å; V275-V287 WeakPolarHBondContact CA-O 3.5Å; V275-F323 HydrophobicContact CB-CE1 4.47Å; V275-F323 HydrophobicContact CG1-CD1 4.15Å; V275-F323 HydrophobicContact CG1-CD2 4.48Å; V275-F323 HydrophobicContact CG1-CE1 3.87Å; V275-F323 HydrophobicContact CG1-CE2 4.17Å; V275-F323 HydrophobicContact CG1-CG 4.45Å; V275-F323 HydrophobicContact CG1-CZ 3.87Å; V275-F323 HydrophobicContact CG2-CE1 3.83Å; V275-F323 HydrophobicContact CG2-CZ 3.84Å; V275-L353 HydrophobicContact CG2-CD1 4.27Å; V275-F355 HydrophobicContact CB-CD1 4.12Å; V275-F355 HydrophobicContact CB-CE1 3.81Å; V275-F355 HydrophobicContact CG1-CE1 4.19Å
276	C	65.8	Low	55.4	Low	22 Å²	22	74.7 Å²	74.7	15%	0.149	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.3	-179.2	174.4	0	0	0	0	108.5	V286 V287 P358	C276-V286 CarbonylContact O-C 3.55Å; C276-V286 VanDerWaalsContact O-CA 3.3Å; C276-V286 WeakPolarHBondContact O-CA 3.08Å; C276-V287 HydrophobicContact CB-CB 4.25Å; C276-V287 PolarHBondContact N-O 2.87Å; C276-V287 PolarHBondContact O-N 2.86Å; C276-P358 VanDerWaalsContact SG-CD 3.54Å; C276-P358 VanDerWaalsContact SG-CG 3.53Å
277	I	67.9	Low	56.9	Low	60 Å²	60	63.9 Å²	63.9	31%	0.308	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.7	175.4	-60.1	173.1	0	0	0	106.5	V284 N285 V286 L321	I277-V284 HydrophobicContact CG2-CG1 3.85Å; I277-N285 CarbonylContact C-O 3.52Å; I277-N285 WeakPolarHBondContact CA-O 3.29Å; I277-V286 HydrophobicContact CG1-CG1 4.07Å; I277-V286 HydrophobicContact CG1-CG2 4.16Å; I277-V286 HydrophobicContact CG2-CG2 4.42Å; I277-L321 HydrophobicContact CD1-CD2 4.06Å; I277-L321 HydrophobicContact CG2-CD2 3.47Å; I277-L321 VanDerWaalsContact CG2-CD2 3.47Å
278	S	62.5	Low	58.6	Low	12 Å²	12	51.5 Å²	51.5	8%	0.084	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.9	-177.7	56.3	0	0	0	0	111.3	N285	S278-N285 PolarHBondContact N-O 3.31Å; S278-N285 PolarHBondContact O-N 3.47Å; S278-N285 PolarHBondContact OG-O 3.01Å
279	L	62	Low	59.9	Low	45 Å²	45	51.7 Å²	51.7	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.1	164.9	-84.5	153	0	0	0	109.4	A283 V284 F313 L364	L279-A283 CarbonylContact C-O 3.57Å; L279-A283 WeakPolarHBondContact CA-O 3.43Å; L279-V284 HydrophobicContact CD2-CG2 3.63Å; L279-V284 HydrophobicContact CG-CG2 4.08Å; L279-F313 HydrophobicContact CD2-CB 3.77Å; L279-L364 HydrophobicContact CB-CD1 4.33Å; L279-L364 HydrophobicContact CB-CD2 4.31Å; L279-L364 HydrophobicContact CD1-CD2 3.78Å
280	Y	58.1	Low	61.3	Low	113 Å²	113	47.1 Å²	47.1	44%	0.443	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	113.2	177.2	-176.4	-97.7	0	0	0	109	G282 A283 L361	Y280-G282 VanDerWaalsContact C-N 3.29Å; Y280-G282 PolarHBondContact O-N 3.27Å; Y280-A283 PolarHBondContact N-O 2.85Å; Y280-A283 VanDerWaalsContact O-CB 3.3Å; Y280-A283 WeakPolarHBondContact O-CB 3.38Å; Y280-A283 PolarHBondContact O-N 3.16Å; Y280-L361 HydrophobicContact CD2-CD2 3.38Å; Y280-L361 HydrophobicContact CE2-CD2 3.6Å
281	Q	55.6	Low	62	Low	163 Å²	163	48.3 Å²	48.3	76%	0.762	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	46.3	-178.9	-60.4	-179.1	-36.5	0	0	112.7	A283	Q281-A283 PolarHBondContact O-N 3.31Å; Q281-A283 VanDerWaalsContact O-N 3.14Å
282	G	55.5	Low	62.3	Low	5 Å²	5	43.9 Å²	43.9	5%	0.052	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	0.4	-177.5	0	0	0	0	0	115.2	Y280 L311 G312 F313	Y280-G282 VanDerWaalsContact C-N 3.29Å; Y280-G282 PolarHBondContact O-N 3.27Å; G282-L311 WeakPolarHBondContact CA-O 3.48Å; G282-G312 CarbonylContact O-C 3.6Å; G282-G312 WeakPolarHBondContact O-CA 3.34Å; G282-F313 VanDerWaalsContact O-CD2 3.25Å; G282-F313 WeakPolarHBondContact O-CD2 3.34Å; G282-F313 PolarHBondContact O-N 3.23Å
283	A	58.6	Low	62.3	Low	14 Å²	14	42.2 Å²	42.2	12%	0.116	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.2	174.5	0	0	0	0	0	111.5	L279 Y280 Q281 P301	L279-A283 CarbonylContact C-O 3.57Å; L279-A283 WeakPolarHBondContact CA-O 3.43Å; Y280-A283 PolarHBondContact N-O 2.85Å; Y280-A283 VanDerWaalsContact O-CB 3.3Å; Y280-A283 WeakPolarHBondContact O-CB 3.38Å; Y280-A283 PolarHBondContact O-N 3.16Å; Q281-A283 PolarHBondContact O-N 3.31Å; Q281-A283 VanDerWaalsContact O-N 3.14Å; A283-P301 HydrophobicContact CB-CG 4.41Å
284	V	64.2	Low	62	Low	9 Å²	9	46.9 Å²	46.9	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.5	171.2	-177.2	0	0	0	0	111.1	I277 L279 V286 V299 F313 L321 F334	I277-V284 HydrophobicContact CG2-CG1 3.85Å; L279-V284 HydrophobicContact CD2-CG2 3.63Å; L279-V284 HydrophobicContact CG-CG2 4.08Å; V284-V286 HydrophobicContact CG1-CG2 4.2Å; V284-V299 PolarHBondContact N-O 2.84Å; V284-V299 WeakPolarHBondContact O-CA 3.4Å; V284-V299 WeakPolarHBondContact O-CB 3.1Å; V284-V299 PolarHBondContact O-N 3.46Å; V284-F313 HydrophobicContact CG2-CB 4.33Å; V284-F313 HydrophobicContact CG2-CD2 3.77Å; V284-F313 HydrophobicContact CG2-CE2 4.36Å; V284-F313 HydrophobicContact CG2-CG 4.18Å; V284-L321 HydrophobicContact CG1-CD2 4.14Å; V284-F334 HydrophobicContact CB-CE1 4.03Å; V284-F334 HydrophobicContact CB-CE2 3.63Å; V284-F334 HydrophobicContact CB-CZ 3.17Å; V284-F334 HydrophobicContact CG1-CE1 4.46Å; V284-F334 HydrophobicContact CG1-CE2 3.87Å; V284-F334 HydrophobicContact CG1-CZ 3.38Å; V284-F334 HydrophobicContact CG2-CE1 3.63Å; V284-F334 HydrophobicContact CG2-CE2 4.19Å; V284-F334 HydrophobicContact CG2-CZ 3.29Å
285	N	65.9	Low	61.6	Low	32 Å²	32	47.3 Å²	47.3	17%	0.171	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.7	176.1	-179.8	30.5	0	0	0	110.2	I277 S278 R298	I277-N285 CarbonylContact C-O 3.52Å; I277-N285 WeakPolarHBondContact CA-O 3.29Å; S278-N285 PolarHBondContact N-O 3.31Å; S278-N285 PolarHBondContact O-N 3.47Å; S278-N285 PolarHBondContact OG-O 3.01Å; N285-R298 HydrophobicContact CB-CG 4.44Å; N285-R298 WeakPolarHBondContact OD1-CG 3.28Å
286	V	67.3	Low	60.9	Low	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.8	177.8	-173.3	0	0	0	0	110.1	V275 C276 I277 V284 A297 F323 V332	V275-V286 HydrophobicContact CG1-CG1 4.34Å; C276-V286 CarbonylContact O-C 3.55Å; C276-V286 VanDerWaalsContact O-CA 3.3Å; C276-V286 WeakPolarHBondContact O-CA 3.08Å; I277-V286 HydrophobicContact CG1-CG1 4.07Å; I277-V286 HydrophobicContact CG1-CG2 4.16Å; I277-V286 HydrophobicContact CG2-CG2 4.42Å; V284-V286 HydrophobicContact CG1-CG2 4.2Å; V286-A297 CarbonylContact C-O 3.52Å; V286-A297 WeakPolarHBondContact CA-O 3.34Å; V286-A297 PolarHBondContact N-O 3.05Å; V286-A297 CarbonylContact O-C 3.59Å; V286-A297 WeakPolarHBondContact O-CA 3.41Å; V286-A297 PolarHBondContact O-N 2.59Å; V286-F323 HydrophobicContact CG1-CD2 3.58Å; V286-F323 HydrophobicContact CG1-CE2 3.79Å; V286-F323 HydrophobicContact CG1-CG 4.47Å; V286-V332 HydrophobicContact CB-CG2 4.1Å; V286-V332 HydrophobicContact CG1-CG2 4.35Å; V286-V332 HydrophobicContact CG2-CG1 4.11Å; V286-V332 HydrophobicContact CG2-CG2 4.03Å
287	V	67.6	Low	60.2	Low	17 Å²	17	49.5 Å²	49.5	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.2	-179.8	177.3	0	0	0	0	109.3	V275 C276 K289 D296	V275-V287 CarbonylContact C-O 3.52Å; V275-V287 VanDerWaalsContact CA-O 3.32Å; V275-V287 WeakPolarHBondContact CA-O 3.5Å; C276-V287 HydrophobicContact CB-CB 4.25Å; C276-V287 PolarHBondContact N-O 2.87Å; C276-V287 PolarHBondContact O-N 2.86Å; V287-K289 HydrophobicContact CG1-CG 3.97Å; V287-D296 WeakPolarHBondContact CG1-OD1 3.22Å
288	S	69.2	Low	59.3	Low	4 Å²	4	54.1 Å²	54.1	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.4	176.3	-173.7	0	0	0	0	109.8	Q295 R325	S288-Q295 PolarHBondContact N-O 3.37Å; S288-Q295 PolarHBondContact O-N 3.11Å; S288-R325 PolarHBondContact OG-NH1 3.45Å
289	K	64.8	Low	58.8	Low	71 Å²	71	53.8 Å²	53.8	31%	0.309	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.4	178.8	-56.3	-163.8	-178.8	-154.1	0	110.7	E273 S274 V287 E294	E273-K289 WeakPolarHBondContact CA-O 3.37Å; S274-K289 PolarHBondContact N-O 3.46Å; S274-K289 PolarHBondContact O-N 3.17Å; V287-K289 HydrophobicContact CG1-CG 3.97Å; K289-E294 HydrophobicContact CD-CG 4.31Å; K289-E294 WeakPolarHBondContact CE-OE1 3.48Å; K289-E294 HydrophobicContact CG-CG 4.3Å; K289-E294 IonicContact NZ-OE1 2.81Å; K289-E294 PolarHBondContact NZ-OE1 3.46Å; K289-E294 IonicContact NZ-OE2 3.77Å; K289-E294 PolarHBondContact NZ-OE2 2.96Å
290	T	63.6	Low	58	Low	18 Å²	18	58.1 Å²	58.1	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	167.6	169.1	71.9	0	0	0	0	110.6	G292 S293 L350	T290-G292 PolarHBondContact O-N 3.12Å; T290-S293 PolarHBondContact N-O 2.99Å; T290-S293 VanDerWaalsContact N-O 3.08Å; T290-S293 PolarHBondContact O-N 2.95Å; T290-S293 PolarHBondContact OG1-OG 2.95Å; T290-L350 HydrophobicContact CG2-CD2 3.96Å
291	R	60.2	Low	57.3	Low	151 Å²	151	55.3 Å²	55.3	57%	0.57	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	93.2	179.9	-160	177.5	-176.2	-167.2	0.5	110.9	K271 R348	K271-R291 HydrophobicContact CB-CG 4.35Å; R291-R348 PolarHBondContact O-NH1 3.43Å
292	G	56	Low	56.6	Low	74 Å²	74	54.5 Å²	54.5	76%	0.763	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.6	-2.4	177.4	0	0	0	0	0	115.7	T290	T290-G292 PolarHBondContact O-N 3.12Å
293	S	54.6	Low	55.5	Low	32 Å²	32	63.4 Å²	63.4	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	128.8	173.5	72.1	0	0	0	0	111.3	T290	T290-S293 PolarHBondContact N-O 2.99Å; T290-S293 VanDerWaalsContact N-O 3.08Å; T290-S293 PolarHBondContact O-N 2.95Å; T290-S293 PolarHBondContact OG1-OG 2.95Å
294	E	54.4	Low	54.3	Low	119 Å²	119	66.9 Å²	66.9	56%	0.556	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.4	165.3	-178.1	155.6	178.7	0	0	108.4	K289	K289-E294 HydrophobicContact CD-CG 4.31Å; K289-E294 WeakPolarHBondContact CE-OE1 3.48Å; K289-E294 HydrophobicContact CG-CG 4.3Å; K289-E294 IonicContact NZ-OE1 2.81Å; K289-E294 PolarHBondContact NZ-OE1 3.46Å; K289-E294 IonicContact NZ-OE2 3.77Å; K289-E294 PolarHBondContact NZ-OE2 2.96Å
295	Q	54.4	Low	52.8	Low	28 Å²	28	71 Å²	71	13%	0.131	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.3	176.8	-62.8	-162.4	17	0	0	111.1	S288	S288-Q295 PolarHBondContact N-O 3.37Å; S288-Q295 PolarHBondContact O-N 3.11Å
296	D	51.6	Low	51.3	Low	63 Å²	63	78.6 Å²	78.6	34%	0.337	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.9	178.6	-63.7	-10.8	0	0	0	109.8	V287 K342	V287-D296 WeakPolarHBondContact CG1-OD1 3.22Å; D296-K342 PolarHBondContact O-NZ 2.9Å
297	A	50.2	Low	49.9	Very low	9 Å²	9	83.5 Å²	83.5	7%	0.074	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	103.4	167.6	0	0	0	0	0	108.4	V286	V286-A297 CarbonylContact C-O 3.52Å; V286-A297 WeakPolarHBondContact CA-O 3.34Å; V286-A297 PolarHBondContact N-O 3.05Å; V286-A297 CarbonylContact O-C 3.59Å; V286-A297 WeakPolarHBondContact O-CA 3.41Å; V286-A297 PolarHBondContact O-N 2.59Å
298	R	50	Low	48.6	Very low	156 Å²	156	88.4 Å²	88.4	59%	0.589	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	127.8	171.7	-71.1	179.7	-160.7	-162.2	7.4	109	N285	N285-R298 HydrophobicContact CB-CG 4.44Å; N285-R298 WeakPolarHBondContact OD1-CG 3.28Å
299	V	50.7	Low	47.4	Very low	5 Å²	5	93.5 Å²	93.5	3%	0.03	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.5	167.2	-172.9	0	0	0	0	106.9	V284 V332 F334 L340	V284-V299 PolarHBondContact N-O 2.84Å; V284-V299 WeakPolarHBondContact O-CA 3.4Å; V284-V299 WeakPolarHBondContact O-CB 3.1Å; V284-V299 PolarHBondContact O-N 3.46Å; V299-V332 HydrophobicContact CG2-CB 4.01Å; V299-V332 HydrophobicContact CG2-CG1 3.78Å; V299-F334 HydrophobicContact CB-CD2 4.29Å; V299-F334 HydrophobicContact CB-CE2 4.24Å; V299-F334 HydrophobicContact CG1-CD2 3.97Å; V299-F334 HydrophobicContact CG1-CE2 4.4Å; V299-F334 HydrophobicContact CG2-CD2 4.32Å; V299-F334 HydrophobicContact CG2-CE2 4.27Å; V299-L340 HydrophobicContact CG1-CD1 4.38Å; V299-L340 HydrophobicContact CG2-CB 4.18Å; V299-L340 HydrophobicContact CG2-CD1 4.17Å
300	M	45.6	Very low	46.4	Very low	136 Å²	136	95 Å²	95	67%	0.67	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-76.3	144.4	175	-63.1	-85.5	-149.4	0	0	109.4	F302	M300-F302 PolarHBondContact O-N 2.74Å
301	P	44	Very low	45.7	Very low	54 Å²	54	95.8 Å²	95.8	35%	0.351	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-59.7	133.3	169.2	25.6	-32	0	0	0	108.9	A283	A283-P301 HydrophobicContact CB-CG 4.41Å
302	F	40.2	Very low	45.5	Very low	146 Å²	146	89.8 Å²	89.8	64%	0.64	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-70.9	145.3	174.7	-160.3	-93.3	0	0	0	109.6	M300	M300-F302 PolarHBondContact O-N 2.74Å
303	K	33	Very low	45.8	Very low	192 Å²	192	87.7 Å²	87.7	84%	0.835	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-75.3	121.2	-173.9	-69.3	174.9	175.3	179.3	0	111.2
304	S	32.8	Very low	45.9	Very low	87 Å²	87	88.1 Å²	88.1	61%	0.608	45%	0.453	S	S	*	.			trans	-139.9	127.9	157.6	56.3	0	0	0	0	110.7
305	S	33.3	Very low	46	Very low	96 Å²	96	84.3 Å²	84.3	67%	0.671	44%	0.437	S	S	*	.			trans	15.5	104.2	169.8	58.4	0	0	0	0	121.8	S307	S305-S307 PolarHBondContact O-N 2.93Å
306	F	34	Very low	46.1	Very low	191 Å²	191	85.1 Å²	85.1	84%	0.838	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.7	-0.8	134	-80.5	-83.9	0	0	0	126.3	Q309	F306-Q309 VanDerWaalsContact N-NE2 3.19Å
307	S	37	Very low	46.5	Very low	105 Å²	105	88.8 Å²	88.8	73%	0.734	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-31.3	168.4	58.7	0	0	0	0	114.2	S305	S305-S307 PolarHBondContact O-N 2.93Å
308	D	41.3	Very low	47.1	Very low	119 Å²	119	93.9 Å²	93.9	64%	0.636	49%	0.485	S	S	*	.	S	Bend	trans	-96.4	7.1	-177.2	-57.9	-20.8	0	0	0	113.3	K310	D308-K310 PolarHBondContact O-N 2.91Å
309	Q	43	Very low	47.9	Very low	111 Å²	111	89.4 Å²	89.4	52%	0.519	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.7	-167.8	-73.5	-173.5	-13.5	0	0	115.4	F306	F306-Q309 VanDerWaalsContact N-NE2 3.19Å
310	K	45	Very low	48.6	Very low	103 Å²	103	94.6 Å²	94.6	45%	0.448	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-19.3	-169.1	-74.2	-168	174.6	-170.3	0	115.3	D308 D573 V575	D308-K310 PolarHBondContact O-N 2.91Å; K310-D573 VanDerWaalsContact CE-OD2 3.27Å; K310-D573 WeakPolarHBondContact CE-OD2 3.06Å; K310-D573 IonicContact NZ-OD1 2.68Å; K310-D573 PolarHBondContact NZ-OD1 2.83Å; K310-D573 VanDerWaalsContact NZ-OD1 3.15Å; K310-D573 IonicContact NZ-OD2 3.46Å; K310-D573 PolarHBondContact NZ-OD2 2.9Å; K310-V575 HydrophobicContact CB-CB 4.45Å; K310-V575 HydrophobicContact CB-CG1 4.16Å; K310-V575 HydrophobicContact CD-CB 3.89Å; K310-V575 HydrophobicContact CD-CG1 3.92Å
311	L	47.4	Very low	49.7	Very low	34 Å²	34	90.9 Å²	90.9	18%	0.178	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-32.9	-178	-70.5	163.2	0	0	0	112.4	G282 F313 S314 S409 V588	G282-L311 WeakPolarHBondContact CA-O 3.48Å; L311-F313 PolarHBondContact O-N 3.2Å; L311-S314 WeakPolarHBondContact O-CA 3.28Å; L311-S314 WeakPolarHBondContact O-CB 3.25Å; L311-S314 PolarHBondContact O-N 3.34Å; L311-S314 PolarHBondContact O-OG 3.21Å; L311-S409 WeakPolarHBondContact CD2-O 3.14Å; L311-V588 HydrophobicContact CD2-CG1 3.9Å
312	G	57.4	Low	50.9	Low	25 Å²	25	90.5 Å²	90.5	26%	0.258	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	53.8	-134.4	-173.3	0	0	0	0	0	111.4	G282 S314	G282-G312 CarbonylContact O-C 3.6Å; G282-G312 WeakPolarHBondContact O-CA 3.34Å; G312-S314 PolarHBondContact O-N 3.02Å; G312-S314 VanDerWaalsContact O-N 3.1Å
313	F	61.2	Low	52.5	Low	30 Å²	30	86 Å²	86	13%	0.132	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-72.1	10	172.5	-64.7	-69.3	0	0	0	114.3	L279 G282 V284 L311 H319 F334	L279-F313 HydrophobicContact CD2-CB 3.77Å; G282-F313 VanDerWaalsContact O-CD2 3.25Å; G282-F313 WeakPolarHBondContact O-CD2 3.34Å; G282-F313 PolarHBondContact O-N 3.23Å; V284-F313 HydrophobicContact CG2-CB 4.33Å; V284-F313 HydrophobicContact CG2-CD2 3.77Å; V284-F313 HydrophobicContact CG2-CE2 4.36Å; V284-F313 HydrophobicContact CG2-CG 4.18Å; L311-F313 PolarHBondContact O-N 3.2Å; F313-H319 AromaticContact CD1-CE1 3.98Å; F313-H319 AromaticContact CD1-CG 3.94Å; F313-H319 AromaticContact CD1-ND1 3.7Å; F313-F334 HydrophobicContact CD1-CD1 4.28Å; F313-F334 AromaticContact CE1-CD1 3.78Å; F313-F334 HydrophobicContact CE1-CD1 3.78Å; F313-F334 HydrophobicContact CE1-CE1 4.37Å; F313-F334 HydrophobicContact CE1-CG 4.3Å; F313-F334 HydrophobicContact CE2-CD1 4.5Å; F313-F334 HydrophobicContact CZ-CB 4.39Å; F313-F334 AromaticContact CZ-CD1 3.9Å; F313-F334 HydrophobicContact CZ-CD1 3.9Å; F313-F334 HydrophobicContact CZ-CE1 4.43Å; F313-F334 HydrophobicContact CZ-CG 4.05Å
314	S	56.8	Low	54.4	Low	41 Å²	41	78.9 Å²	78.9	29%	0.287	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-102.4	26.4	176.9	-28.5	0	0	0	0	111.6	L311 G312 G316	L311-S314 WeakPolarHBondContact O-CA 3.28Å; L311-S314 WeakPolarHBondContact O-CB 3.25Å; L311-S314 PolarHBondContact O-N 3.34Å; L311-S314 PolarHBondContact O-OG 3.21Å; G312-S314 PolarHBondContact O-N 3.02Å; G312-S314 VanDerWaalsContact O-N 3.1Å; S314-G316 PolarHBondContact O-N 3.2Å
315	D	57.8	Low	56.1	Low	40 Å²	40	76.8 Å²	76.8	21%	0.214	41%	0.412	C	S	.	.	S	Bend	trans	-75.8	5.3	-176.6	63.5	2.8	0	0	0	114.6	H317 H319 S409	D315-H317 PolarHBondContact O-N 3.43Å; D315-H317 PolarHBondContact O-ND1 3Å; D315-H317 WeakPolarHBondContact OD1-CB 3.33Å; D315-H317 PolarHBondContact OD1-N 2.93Å; D315-H317 IonicContact OD1-ND1 2.77Å; D315-H317 IonicContact OD2-ND1 2.95Å; D315-H319 IonicContact OD1-CD2 3.34Å; D315-H319 IonicContact OD1-CE1 3.88Å; D315-H319 IonicContact OD1-NE2 3.92Å; D315-H319 PolarHBondContact OD1-NE2 3.27Å; D315-H319 IonicContact OD2-CE1 3.13Å; D315-H319 PolarHBondContact OD2-CE1 3.31Å; D315-H319 IonicContact OD2-NE2 3.44Å; D315-H319 PolarHBondContact OD2-NE2 3.46Å; D315-S409 PolarHBondContact O-OG 3.14Å
316	G	55	Low	57.9	Low	45 Å²	45	76.4 Å²	76.4	46%	0.464	41%	0.406	S	S	.	.	S	Bend	trans	77.6	-1	-176.9	0	0	0	0	0	115.9	S314 F407	S314-G316 PolarHBondContact O-N 3.2Å; G316-F407 VanDerWaalsContact CA-CD1 3.42Å
317	H	61	Low	59.4	Low	139 Å²	139	72 Å²	72	64%	0.644	39%	0.391	S	S	*	.	S	Bend	trans	-97.1	158.9	-179.3	-63	82.4	0	0	0	111.6	D315 H319	D315-H317 PolarHBondContact O-N 3.43Å; D315-H317 PolarHBondContact O-ND1 3Å; D315-H317 WeakPolarHBondContact OD1-CB 3.33Å; D315-H317 PolarHBondContact OD1-N 2.93Å; D315-H317 IonicContact OD1-ND1 2.77Å; D315-H317 IonicContact OD2-ND1 2.95Å; H317-H319 PolarHBondContact O-CD2 2.99Å; H317-H319 PolarHBondContact O-N 2.69Å
318	W	63.4	Low	60.7	Low	117 Å²	117	68.7 Å²	68.7	44%	0.443	37%	0.367	S	S	.	.			trans	-74.4	121.4	174.9	-74.2	96.6	0	0	0	110.7	F252 C367 C403	F252-W318 HydrophobicContact CB-CH2 4.34Å; F252-W318 AromaticContact CD1-CH2 3.2Å; F252-W318 HydrophobicContact CD1-CH2 3.2Å; F252-W318 AromaticContact CD1-CZ2 3.61Å; F252-W318 HydrophobicContact CD1-CZ2 3.61Å; F252-W318 HydrophobicContact CD1-CZ3 4.02Å; F252-W318 AromaticContact CE1-CH2 3.56Å; F252-W318 HydrophobicContact CE1-CH2 3.56Å; F252-W318 AromaticContact CE1-CZ2 3.61Å; F252-W318 HydrophobicContact CE1-CZ2 3.61Å; F252-W318 HydrophobicContact CE1-CZ3 4.22Å; F252-W318 AromaticContact CG-CH2 3.89Å; F252-W318 HydrophobicContact CG-CH2 3.89Å; F252-W318 HydrophobicContact CG-CZ2 4.11Å; F252-W318 HydrophobicContact CZ-CH2 4.48Å; F252-W318 HydrophobicContact CZ-CZ2 4.12Å; W318-C367 HydrophobicContact CH2-CB 3.61Å; W318-C367 HydrophobicContact CZ2-CB 3.97Å; W318-C367 HydrophobicContact CZ3-CB 4.31Å; W318-C403 HydrophobicContact CH2-CB 4.46Å; W318-C403 HydrophobicContact CZ2-CB 4.03Å
319	H	65.8	Low	61.9	Low	62 Å²	62	67 Å²	67	29%	0.287	36%	0.356	S	S	.	.			trans	-109.6	135.3	173.5	-64.1	-79.2	0	0	0	110.9	F313 D315 H317	F313-H319 AromaticContact CD1-CE1 3.98Å; F313-H319 AromaticContact CD1-CG 3.94Å; F313-H319 AromaticContact CD1-ND1 3.7Å; D315-H319 IonicContact OD1-CD2 3.34Å; D315-H319 IonicContact OD1-CE1 3.88Å; D315-H319 IonicContact OD1-NE2 3.92Å; D315-H319 PolarHBondContact OD1-NE2 3.27Å; D315-H319 IonicContact OD2-CE1 3.13Å; D315-H319 PolarHBondContact OD2-CE1 3.31Å; D315-H319 IonicContact OD2-NE2 3.44Å; D315-H319 PolarHBondContact OD2-NE2 3.46Å; H317-H319 PolarHBondContact O-CD2 2.99Å; H317-H319 PolarHBondContact O-N 2.69Å
320	L	65.4	Low	63.1	Low	114 Å²	114	62.1 Å²	62.1	60%	0.597	33%	0.333	S	S	*	.			trans	-85.5	124.6	172.4	179.8	67.2	0	0	0	109.5	F334 C335	L320-F334 CarbonylContact O-C 3.43Å; L320-F334 WeakPolarHBondContact O-CA 3.22Å; L320-C335 PolarHBondContact O-N 3.33Å
321	L	68.3	Low	64.3	Low	58 Å²	58	57.9 Å²	57.9	30%	0.304	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.8	172.7	172	55.6	0	0	0	110.4	I277 V284 V332 R333 F334	I277-L321 HydrophobicContact CD1-CD2 4.06Å; I277-L321 HydrophobicContact CG2-CD2 3.47Å; I277-L321 VanDerWaalsContact CG2-CD2 3.47Å; V284-L321 HydrophobicContact CG1-CD2 4.14Å; L321-V332 HydrophobicContact CD1-CG1 3.56Å; L321-R333 CarbonylContact C-O 3.54Å; L321-R333 WeakPolarHBondContact CA-O 3.16Å; L321-R333 WeakPolarHBondContact CD1-O 3.42Å; L321-F334 HydrophobicContact CB-CD1 4.45Å; L321-F334 HydrophobicContact CB-CE1 3.85Å; L321-F334 HydrophobicContact CB-CZ 3.97Å; L321-F334 HydrophobicContact CD1-CD1 4.34Å; L321-F334 HydrophobicContact CD1-CD2 3.75Å; L321-F334 HydrophobicContact CD1-CE1 3.82Å; L321-F334 HydrophobicContact CD1-CE2 3.17Å; L321-F334 HydrophobicContact CD1-CG 4.28Å; L321-F334 HydrophobicContact CD1-CZ 3.15Å; L321-F334 HydrophobicContact CD2-CE1 4.28Å; L321-F334 HydrophobicContact CD2-CE2 4.41Å; L321-F334 HydrophobicContact CD2-CZ 3.67Å; L321-F334 HydrophobicContact CG-CE1 4.16Å; L321-F334 HydrophobicContact CG-CE2 4.25Å; L321-F334 HydrophobicContact CG-CZ 3.74Å
322	S	68.8	Low	65.2	Low	45 Å²	45	56.3 Å²	56.3	32%	0.315	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.2	173.7	152.6	0	0	0	0	110.2	V332 R333	S322-V332 CarbonylContact O-C 3.33Å; S322-V332 WeakPolarHBondContact O-CA 3.36Å; S322-R333 PolarHBondContact N-O 3.15Å; S322-R333 PolarHBondContact O-N 2.98Å
323	F	74.4	Confident	65.7	Low	52 Å²	52	61.3 Å²	61.3	23%	0.228	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	166.5	170.3	-92.4	0	0	0	109.6	V275 V286 R325 V330 V332	V275-F323 HydrophobicContact CB-CE1 4.47Å; V275-F323 HydrophobicContact CG1-CD1 4.15Å; V275-F323 HydrophobicContact CG1-CD2 4.48Å; V275-F323 HydrophobicContact CG1-CE1 3.87Å; V275-F323 HydrophobicContact CG1-CE2 4.17Å; V275-F323 HydrophobicContact CG1-CG 4.45Å; V275-F323 HydrophobicContact CG1-CZ 3.87Å; V275-F323 HydrophobicContact CG2-CE1 3.83Å; V275-F323 HydrophobicContact CG2-CZ 3.84Å; V286-F323 HydrophobicContact CG1-CD2 3.58Å; V286-F323 HydrophobicContact CG1-CE2 3.79Å; V286-F323 HydrophobicContact CG1-CG 4.47Å; F323-R325 HydrophobicContact CE1-CB 4.09Å; F323-R325 HydrophobicContact CZ-CB 4.02Å; F323-V330 HydrophobicContact CD2-CG1 4.1Å; F323-V330 HydrophobicContact CE2-CG1 3.44Å; F323-V330 VanDerWaalsContact CE2-CG1 3.44Å; F323-V330 HydrophobicContact CZ-CG1 4.23Å; F323-V332 HydrophobicContact CD2-CG2 4.17Å
324	S	73.2	Confident	65.8	Low	42 Å²	42	60.1 Å²	60.1	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145	171.9	59	0	0	0	0	110.1	T331	S324-T331 PolarHBondContact N-O 2.86Å; S324-T331 PolarHBondContact O-N 3.15Å; S324-T331 WeakPolarHBondContact OG-CB 3.47Å; S324-T331 PolarHBondContact OG-O 3.48Å
325	R	69.7	Low	66.1	Low	43 Å²	43	60.1 Å²	60.1	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.7	175.7	-179.9	179.8	169.9	121	16.1	110.2	S288 F323 L327 Q329 V330	S288-R325 PolarHBondContact OG-NH1 3.45Å; F323-R325 HydrophobicContact CE1-CB 4.09Å; F323-R325 HydrophobicContact CZ-CB 4.02Å; R325-L327 PolarHBondContact NE-O 2.63Å; R325-L327 PolarHBondContact NH2-O 3.21Å; R325-Q329 CarbonylContact C-O 3.54Å; R325-Q329 WeakPolarHBondContact CA-O 3.23Å; R325-Q329 WeakPolarHBondContact CG-O 3.19Å; R325-V330 HydrophobicContact CB-CG2 4.34Å; R325-V330 HydrophobicContact CG-CG2 3.93Å
326	T	69.5	Low	66.1	Low	89 Å²	89	62 Å²	62	55%	0.546	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	95.3	175.4	44.8	0	0	0	0	109.4	S328 Q329	T326-S328 VanDerWaalsContact C-N 3.26Å; T326-S328 PolarHBondContact O-N 3.08Å; T326-Q329 PolarHBondContact N-O 3.16Å; T326-Q329 PolarHBondContact O-N 3.03Å
327	L	66.3	Low	65.9	Low	99 Å²	99	62.8 Å²	62.8	52%	0.518	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-80.9	-176.9	-67.6	168.7	0	0	0	113.9	R325	R325-L327 PolarHBondContact NE-O 2.63Å; R325-L327 PolarHBondContact NH2-O 3.21Å
328	S	64.2	Low	65.4	Low	34 Å²	34	59.2 Å²	59.2	24%	0.238	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	3.1	-178.2	62.1	0	0	0	0	115.1	T326 T344	T326-S328 VanDerWaalsContact C-N 3.26Å; T326-S328 PolarHBondContact O-N 3.08Å; S328-T344 WeakPolarHBondContact CA-OG1 3.5Å; S328-T344 WeakPolarHBondContact O-CA 3.33Å; S328-T344 VanDerWaalsContact O-CB 3.25Å; S328-T344 WeakPolarHBondContact O-CB 3.2Å; S328-T344 WeakPolarHBondContact O-CG2 3.27Å; S328-T344 PolarHBondContact O-N 3.16Å; S328-T344 PolarHBondContact O-OG1 2.97Å
329	Q	65.8	Low	65.1	Low	84 Å²	84	60 Å²	60	39%	0.393	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.4	177.4	-173.8	178.9	4.3	0	0	109.7	R325 T326	R325-Q329 CarbonylContact C-O 3.54Å; R325-Q329 WeakPolarHBondContact CA-O 3.23Å; R325-Q329 WeakPolarHBondContact CG-O 3.19Å; T326-Q329 PolarHBondContact N-O 3.16Å; T326-Q329 PolarHBondContact O-N 3.03Å
330	V	69.6	Low	64.6	Low	9 Å²	9	60.3 Å²	60.3	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.5	171.4	172.3	0	0	0	0	107.7	F323 R325 V332 S341 K342 T344	F323-V330 HydrophobicContact CD2-CG1 4.1Å; F323-V330 HydrophobicContact CE2-CG1 3.44Å; F323-V330 VanDerWaalsContact CE2-CG1 3.44Å; F323-V330 HydrophobicContact CZ-CG1 4.23Å; R325-V330 HydrophobicContact CB-CG2 4.34Å; R325-V330 HydrophobicContact CG-CG2 3.93Å; V330-V332 HydrophobicContact CG1-CG2 4.48Å; V330-S341 WeakPolarHBondContact O-CA 3.17Å; V330-K342 PolarHBondContact N-O 2.93Å; V330-K342 PolarHBondContact O-N 2.79Å; V330-T344 HydrophobicContact CB-CG2 4.38Å; V330-T344 HydrophobicContact CG2-CG2 3.81Å
331	T	69.5	Low	64.2	Low	13 Å²	13	58.1 Å²	58.1	8%	0.08	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.9	178.8	-55.7	0	0	0	0	108.9	S324 R333 L340	S324-T331 PolarHBondContact N-O 2.86Å; S324-T331 PolarHBondContact O-N 3.15Å; S324-T331 WeakPolarHBondContact OG-CB 3.47Å; S324-T331 PolarHBondContact OG-O 3.48Å; T331-R333 HydrophobicContact CG2-CG 4.17Å; T331-L340 WeakPolarHBondContact CA-O 3.29Å
332	V	66.7	Low	63.8	Low	2 Å²	2	60.1 Å²	60.1	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.1	172	-174	0	0	0	0	107.5	V286 V299 L321 S322 F323 V330 F334 H339 L340	V286-V332 HydrophobicContact CB-CG2 4.1Å; V286-V332 HydrophobicContact CG1-CG2 4.35Å; V286-V332 HydrophobicContact CG2-CG1 4.11Å; V286-V332 HydrophobicContact CG2-CG2 4.03Å; V299-V332 HydrophobicContact CG2-CB 4.01Å; V299-V332 HydrophobicContact CG2-CG1 3.78Å; L321-V332 HydrophobicContact CD1-CG1 3.56Å; S322-V332 CarbonylContact O-C 3.33Å; S322-V332 WeakPolarHBondContact O-CA 3.36Å; F323-V332 HydrophobicContact CD2-CG2 4.17Å; V330-V332 HydrophobicContact CG1-CG2 4.48Å; V332-F334 HydrophobicContact CG1-CD2 3.86Å; V332-F334 HydrophobicContact CG1-CE2 3.66Å; V332-H339 CarbonylContact O-C 3.57Å; V332-H339 WeakPolarHBondContact O-CA 2.92Å; V332-L340 PolarHBondContact N-O 3.25Å; V332-L340 PolarHBondContact O-N 2.51Å
333	R	66.7	Low	63.2	Low	130 Å²	130	66.4 Å²	66.4	49%	0.491	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.9	174.6	-64.1	-175.9	177.5	127.3	-3.5	109.6	L321 S322 T331 L338 H339	L321-R333 CarbonylContact C-O 3.54Å; L321-R333 WeakPolarHBondContact CA-O 3.16Å; L321-R333 WeakPolarHBondContact CD1-O 3.42Å; S322-R333 PolarHBondContact N-O 3.15Å; S322-R333 PolarHBondContact O-N 2.98Å; T331-R333 HydrophobicContact CG2-CG 4.17Å; R333-L338 CarbonylContact C-O 3.56Å; R333-L338 WeakPolarHBondContact CA-O 3.42Å; R333-H339 HydrophobicContact CG-CB 4Å
334	F	64.2	Low	62.1	Low	5 Å²	5	64.4 Å²	64.4	2%	0.022	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124	177.9	-95.4	-78.5	0	0	0	110	V284 V299 F313 L320 L321 V332 F337 L338	V284-F334 HydrophobicContact CB-CE1 4.03Å; V284-F334 HydrophobicContact CB-CE2 3.63Å; V284-F334 HydrophobicContact CB-CZ 3.17Å; V284-F334 HydrophobicContact CG1-CE1 4.46Å; V284-F334 HydrophobicContact CG1-CE2 3.87Å; V284-F334 HydrophobicContact CG1-CZ 3.38Å; V284-F334 HydrophobicContact CG2-CE1 3.63Å; V284-F334 HydrophobicContact CG2-CE2 4.19Å; V284-F334 HydrophobicContact CG2-CZ 3.29Å; V299-F334 HydrophobicContact CB-CD2 4.29Å; V299-F334 HydrophobicContact CB-CE2 4.24Å; V299-F334 HydrophobicContact CG1-CD2 3.97Å; V299-F334 HydrophobicContact CG1-CE2 4.4Å; V299-F334 HydrophobicContact CG2-CD2 4.32Å; V299-F334 HydrophobicContact CG2-CE2 4.27Å; F313-F334 HydrophobicContact CD1-CD1 4.28Å; F313-F334 AromaticContact CE1-CD1 3.78Å; F313-F334 HydrophobicContact CE1-CD1 3.78Å; F313-F334 HydrophobicContact CE1-CE1 4.37Å; F313-F334 HydrophobicContact CE1-CG 4.3Å; F313-F334 HydrophobicContact CE2-CD1 4.5Å; F313-F334 HydrophobicContact CZ-CB 4.39Å; F313-F334 AromaticContact CZ-CD1 3.9Å; F313-F334 HydrophobicContact CZ-CD1 3.9Å; F313-F334 HydrophobicContact CZ-CE1 4.43Å; F313-F334 HydrophobicContact CZ-CG 4.05Å; L320-F334 CarbonylContact O-C 3.43Å; L320-F334 WeakPolarHBondContact O-CA 3.22Å; L321-F334 HydrophobicContact CB-CD1 4.45Å; L321-F334 HydrophobicContact CB-CE1 3.85Å; L321-F334 HydrophobicContact CB-CZ 3.97Å; L321-F334 HydrophobicContact CD1-CD1 4.34Å; L321-F334 HydrophobicContact CD1-CD2 3.75Å; L321-F334 HydrophobicContact CD1-CE1 3.82Å; L321-F334 HydrophobicContact CD1-CE2 3.17Å; L321-F334 HydrophobicContact CD1-CG 4.28Å; L321-F334 HydrophobicContact CD1-CZ 3.15Å; L321-F334 HydrophobicContact CD2-CE1 4.28Å; L321-F334 HydrophobicContact CD2-CE2 4.41Å; L321-F334 HydrophobicContact CD2-CZ 3.67Å; L321-F334 HydrophobicContact CG-CE1 4.16Å; L321-F334 HydrophobicContact CG-CE2 4.25Å; L321-F334 HydrophobicContact CG-CZ 3.74Å; V332-F334 HydrophobicContact CG1-CD2 3.86Å; V332-F334 HydrophobicContact CG1-CE2 3.66Å; F334-F337 PolarHBondContact O-N 2.9Å; F334-L338 HydrophobicContact CB-CB 3.73Å; F334-L338 PolarHBondContact N-O 3.24Å; F334-L338 WeakPolarHBondContact O-CB 3.24Å; F334-L338 PolarHBondContact O-N 3.43Å
335	C	63.8	Low	60.8	Low	41 Å²	41	68.4 Å²	68.4	28%	0.277	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	-161.2	-171.7	-62.9	0	0	0	0	110.6	L320 F337	L320-C335 PolarHBondContact O-N 3.33Å; C335-F337 HydrophobicContact CB-CD2 4.11Å; C335-F337 PolarHBondContact O-N 2.92Å
336	T	56	Low	60	Low	80 Å²	80	68.2 Å²	68.2	49%	0.491	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.7	176.1	38.4	0	0	0	0	113.3	V165	V165-T336 HydrophobicContact CG1-CG2 4.48Å; V165-T336 PolarHBondContact O-OG1 2.77Å
337	F	51.4	Low	59	Low	60 Å²	60	74.8 Å²	74.8	26%	0.263	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-36.9	-160.2	-42	-82.4	0	0	0	115.9	V165 D166 Y167 K178 F334 C335	V165-F337 WeakPolarHBondContact O-CE1 3.33Å; V165-F337 WeakPolarHBondContact O-CZ 3.26Å; D166-F337 VanDerWaalsContact O-CD1 3.25Å; D166-F337 WeakPolarHBondContact O-CD1 3.44Å; Y167-F337 WeakPolarHBondContact O-CD1 3.39Å; Y167-F337 WeakPolarHBondContact O-CE1 3.32Å; K178-F337 VanDerWaalsContact NZ-CZ 3.33Å; F334-F337 PolarHBondContact O-N 2.9Å; C335-F337 HydrophobicContact CB-CD2 4.11Å; C335-F337 PolarHBondContact O-N 2.92Å
338	L	51.4	Low	58.4	Low	64 Å²	64	77.7 Å²	77.7	34%	0.335	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.7	-176.9	-90.4	121.1	0	0	0	110.3	R333 F334	R333-L338 CarbonylContact C-O 3.56Å; R333-L338 WeakPolarHBondContact CA-O 3.42Å; F334-L338 HydrophobicContact CB-CB 3.73Å; F334-L338 PolarHBondContact N-O 3.24Å; F334-L338 WeakPolarHBondContact O-CB 3.24Å; F334-L338 PolarHBondContact O-N 3.43Å
339	H	56.4	Low	57.9	Low	134 Å²	134	79.3 Å²	79.3	62%	0.62	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.5	168.1	73	-76	0	0	0	110.6	V332 R333	V332-H339 CarbonylContact O-C 3.57Å; V332-H339 WeakPolarHBondContact O-CA 2.92Å; R333-H339 HydrophobicContact CG-CB 4Å
340	L	56.3	Low	57.2	Low	68 Å²	68	77.4 Å²	77.4	36%	0.356	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	109.3	174.4	-142.9	138.9	0	0	0	106.7	V299 T331 V332	V299-L340 HydrophobicContact CG1-CD1 4.38Å; V299-L340 HydrophobicContact CG2-CB 4.18Å; V299-L340 HydrophobicContact CG2-CD1 4.17Å; T331-L340 WeakPolarHBondContact CA-O 3.29Å; V332-L340 PolarHBondContact N-O 3.25Å; V332-L340 PolarHBondContact O-N 2.51Å
341	S	56.3	Low	56.4	Low	68 Å²	68	85.2 Å²	85.2	48%	0.476	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.4	175	83.7	0	0	0	0	109.4	V330	V330-S341 WeakPolarHBondContact O-CA 3.17Å
342	K	60	Low	55.6	Low	101 Å²	101	93.3 Å²	93.3	44%	0.439	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.5	178.6	-166.4	170	178.4	177.5	0	109.1	D296 V330	D296-K342 PolarHBondContact O-NZ 2.9Å; V330-K342 PolarHBondContact N-O 2.93Å; V330-K342 PolarHBondContact O-N 2.79Å
343	Q	55.2	Low	54.9	Low	176 Å²	176	96.6 Å²	96.6	82%	0.822	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.5	174.1	-158.9	174.3	6.2	0	0	109.2
344	T	51.3	Low	54	Low	10 Å²	10	96.3 Å²	96.3	6%	0.061	47%	0.469	C	S	.	.			trans	-106	137.2	-173.8	77	0	0	0	0	109.9	S328 V330 G346	S328-T344 WeakPolarHBondContact CA-OG1 3.5Å; S328-T344 WeakPolarHBondContact O-CA 3.33Å; S328-T344 VanDerWaalsContact O-CB 3.25Å; S328-T344 WeakPolarHBondContact O-CB 3.2Å; S328-T344 WeakPolarHBondContact O-CG2 3.27Å; S328-T344 PolarHBondContact O-N 3.16Å; S328-T344 PolarHBondContact O-OG1 2.97Å; V330-T344 HydrophobicContact CB-CG2 4.38Å; V330-T344 HydrophobicContact CG2-CG2 3.81Å; T344-G346 PolarHBondContact O-N 3.01Å; T344-G346 VanDerWaalsContact O-N 3.13Å
345	T	47.5	Very low	53.2	Low	127 Å²	127	100.1 Å²	100.1	78%	0.779	49%	0.486	S	S	*	.	S	Bend	trans	-76.7	96.9	173.7	44.5	0	0	0	0	109.7
346	G	51.3	Low	52.3	Low	39 Å²	39	102.5 Å²	102.5	40%	0.402	49%	0.489	S	S	.	.			trans	142.4	118.2	172.9	0	0	0	0	0	113.9	T344 R348	T344-G346 PolarHBondContact O-N 3.01Å; T344-G346 VanDerWaalsContact O-N 3.13Å; G346-R348 PolarHBondContact O-N 3.05Å
347	R	49.3	Very low	51.7	Low	226 Å²	226	103.5 Å²	103.5	85%	0.853	49%	0.491	S	S	*	.			trans	-81.6	85.4	167.1	-75.6	-178.6	177.7	174.2	-0.6	109.1
348	R	54.1	Low	51.1	Low	160 Å²	160	102.7 Å²	102.7	60%	0.604	49%	0.492	S	S	*	.			trans	-134.8	130.5	170.2	-69.5	-170.2	176.8	-176.3	-1.8	110.8	R291 G346	R291-R348 PolarHBondContact O-NH1 3.43Å; G346-R348 PolarHBondContact O-N 3.05Å
349	S	52.6	Low	50.3	Low	68 Å²	68	108.9 Å²	108.9	48%	0.476	51%	0.512	S	S	.	.			trans	-70.7	140.8	171.2	-167.6	0	0	0	0	109.8	Q351	S349-Q351 PolarHBondContact O-N 2.8Å
350	L	52.4	Low	49.6	Very low	44 Å²	44	111.2 Å²	111.2	23%	0.23	52%	0.52	C	S	.	.			trans	-69.9	112.3	167.1	-75	157.5	0	0	0	107.3	E273 T290 L353	E273-L350 HydrophobicContact CB-CD2 3.68Å; E273-L350 HydrophobicContact CG-CD2 4.28Å; E273-L350 WeakPolarHBondContact OE2-CA 3.33Å; T290-L350 HydrophobicContact CG2-CD2 3.96Å; L350-L353 HydrophobicContact CB-CD1 4.14Å; L350-L353 HydrophobicContact CD1-CD1 3.58Å; L350-L353 HydrophobicContact CD2-CD1 3.77Å; L350-L353 HydrophobicContact CG-CD1 4.02Å
351	Q	52.4	Low	48.6	Very low	173 Å²	173	112.7 Å²	112.7	81%	0.808	53%	0.528	S	S	*	.	S	Bend	trans	-93	-24.2	-177.8	-70.8	-172.9	-18.3	0	0	112	E273 S349	E273-Q351 PolarHBondContact OE2-N 2.92Å; S349-Q351 PolarHBondContact O-N 2.8Å
352	R	52.9	Low	47.6	Very low	184 Å²	184	112.1 Å²	112.1	69%	0.694	52%	0.524	S	S	*	.	S	Bend	trans	-148.5	96.3	177.1	-73.4	-173.8	-179.5	166.1	-0.9	111	E273	E273-R352 PolarHBondContact OE2-N 3.05Å
353	L	50.6	Low	46.7	Very low	71 Å²	71	111 Å²	111	37%	0.372	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.2	178.4	-149.1	73.9	0	0	0	111.4	V275 L350 F355	V275-L353 HydrophobicContact CG2-CD1 4.27Å; L350-L353 HydrophobicContact CB-CD1 4.14Å; L350-L353 HydrophobicContact CD1-CD1 3.58Å; L350-L353 HydrophobicContact CD2-CD1 3.77Å; L350-L353 HydrophobicContact CG-CD1 4.02Å; L353-F355 HydrophobicContact CD2-CD2 4.24Å; L353-F355 HydrophobicContact CD2-CE1 4.24Å; L353-F355 HydrophobicContact CD2-CE2 3.34Å; L353-F355 HydrophobicContact CD2-CZ 3.34Å; L353-F355 HydrophobicContact CG-CE2 4.18Å; L353-F355 HydrophobicContact CG-CZ 4.32Å
354	R	47.8	Very low	46.4	Very low	124 Å²	124	105.8 Å²	105.8	47%	0.468	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	162.4	-98.9	-172.4	-94.9	-175.2	-13.2	110.3	I272 E273 S274 Y356	I272-R354 VanDerWaalsContact CD1-NH1 3.27Å; I272-R354 HydrophobicContact CG2-CB 3.72Å; I272-R354 HydrophobicContact CG2-CG 4.23Å; E273-R354 PolarHBondContact O-N 2.85Å; E273-R354 VanDerWaalsContact O-N 3.12Å; S274-R354 VanDerWaalsContact CA-O 3.3Å; S274-R354 WeakPolarHBondContact CA-O 3.48Å; S274-R354 WeakPolarHBondContact CB-O 3.49Å; R354-Y356 HydrophobicContact CB-CD2 4.23Å; R354-Y356 HydrophobicContact CB-CE2 3.64Å; R354-Y356 WeakPolarHBondContact CD-OH 3.34Å; R354-Y356 PolarHBondContact NH1-OH 3.06Å; R354-Y356 VanDerWaalsContact NH1-OH 3.15Å
355	F	48.7	Very low	46.5	Very low	85 Å²	85	108.7 Å²	108.7	37%	0.373	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.2	170	-68.4	-81.5	0	0	0	109.2	V275 L353 F372	V275-F355 HydrophobicContact CB-CD1 4.12Å; V275-F355 HydrophobicContact CB-CE1 3.81Å; V275-F355 HydrophobicContact CG1-CE1 4.19Å; L353-F355 HydrophobicContact CD2-CD2 4.24Å; L353-F355 HydrophobicContact CD2-CE1 4.24Å; L353-F355 HydrophobicContact CD2-CE2 3.34Å; L353-F355 HydrophobicContact CD2-CZ 3.34Å; L353-F355 HydrophobicContact CG-CE2 4.18Å; L353-F355 HydrophobicContact CG-CZ 4.32Å; F355-F372 HydrophobicContact CD1-CE1 4.12Å; F355-F372 HydrophobicContact CD2-CD1 4.39Å; F355-F372 AromaticContact CD2-CE1 3.91Å; F355-F372 HydrophobicContact CD2-CE1 3.91Å; F355-F372 HydrophobicContact CD2-CZ 4.3Å; F355-F372 HydrophobicContact CE1-CD1 4.29Å; F355-F372 AromaticContact CE1-CE1 3.79Å; F355-F372 HydrophobicContact CE1-CE1 3.79Å; F355-F372 AromaticContact CE2-CD1 3.63Å; F355-F372 HydrophobicContact CE2-CD1 3.63Å; F355-F372 AromaticContact CE2-CE1 3.55Å; F355-F372 HydrophobicContact CE2-CE1 3.55Å; F355-F372 HydrophobicContact CE2-CG 4.46Å; F355-F372 HydrophobicContact CE2-CZ 4.33Å; F355-F372 HydrophobicContact CG-CE1 4.17Å; F355-F372 AromaticContact CZ-CD1 3.57Å; F355-F372 HydrophobicContact CZ-CD1 3.57Å; F355-F372 AromaticContact CZ-CE1 3.49Å; F355-F372 HydrophobicContact CZ-CE1 3.49Å; F355-F372 VanDerWaalsContact CZ-CE1 3.49Å
356	Y	44.2	Very low	47.1	Very low	90 Å²	90	106 Å²	106	35%	0.353	49%	0.489	S	S	.	.			trans	-121.9	125.6	171.1	-65.7	-80.4	0	0	0	107.6	I272 R354	I272-Y356 VanDerWaalsContact CD1-OH 3.22Å; I272-Y356 WeakPolarHBondContact CD1-OH 3.5Å; I272-Y356 HydrophobicContact CG2-CE2 4.2Å; R354-Y356 HydrophobicContact CB-CD2 4.23Å; R354-Y356 HydrophobicContact CB-CE2 3.64Å; R354-Y356 WeakPolarHBondContact CD-OH 3.34Å; R354-Y356 PolarHBondContact NH1-OH 3.06Å; R354-Y356 VanDerWaalsContact NH1-OH 3.15Å
357	L	42.9	Very low	47.6	Very low	101 Å²	101	106.3 Å²	106.3	53%	0.529	48%	0.484	S	S	.	.			trans	-75	122.7	157.2	-73.3	160.3	0	0	0	106.3	Y359	L357-Y359 PolarHBondContact O-N 2.81Å
358	P	39	Very low	48.3	Very low	43 Å²	43	96.3 Å²	96.3	28%	0.279	45%	0.45	S	S	.	.			trans	-68.1	125.8	-170	26.5	-32.5	0	0	0	110.7	C276 K360	C276-P358 VanDerWaalsContact SG-CD 3.54Å; C276-P358 VanDerWaalsContact SG-CG 3.53Å; P358-K360 PolarHBondContact O-N 3.37Å
359	Y	35.5	Very low	48.8	Very low	195 Å²	195	93.7 Å²	93.7	77%	0.765	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-3.3	175.7	-173.9	-94.8	0	0	0	114.8	L357	L357-Y359 PolarHBondContact O-N 2.81Å
360	K	40.7	Very low	49.4	Very low	182 Å²	182	92.1 Å²	92.1	79%	0.791	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-0.6	-164.4	-77.2	-165	172.8	-171.5	0	116.5	P358	P358-K360 PolarHBondContact O-N 3.37Å
361	L	35.2	Very low	50	Low	99 Å²	99	97.7 Å²	97.7	52%	0.518	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	1.5	-170.9	-99.2	129.7	0	0	0	118.6	Y280	Y280-L361 HydrophobicContact CD2-CD2 3.38Å; Y280-L361 HydrophobicContact CE2-CD2 3.6Å
362	C	36.6	Very low	50.6	Low	56 Å²	56	92.3 Å²	92.3	38%	0.378	42%	0.424	S	S	.	.			trans	-143.9	104.9	177.3	-62.1	0	0	0	0	112.2	L364	C362-L364 HydrophobicContact CB-CB 4.35Å; C362-L364 HydrophobicContact CB-CD1 4.25Å; C362-L364 PolarHBondContact O-N 3.44Å
363	L	40.9	Very low	51.1	Low	78 Å²	78	89.9 Å²	89.9	41%	0.408	42%	0.421	S	S	.	.			trans	-83.2	35.9	152.4	-78	164.8	0	0	0	109.8	K365 E583	L363-K365 PolarHBondContact O-N 3.06Å; L363-E583 HydrophobicContact CD1-CG 4.13Å
364	L	49.4	Very low	51.6	Low	66 Å²	66	89.3 Å²	89.3	35%	0.346	43%	0.427	S	S	.	.			trans	-82.7	120.3	179.9	-99.5	103.2	0	0	0	109.8	L279 C362 F366	L279-L364 HydrophobicContact CB-CD1 4.33Å; L279-L364 HydrophobicContact CB-CD2 4.31Å; L279-L364 HydrophobicContact CD1-CD2 3.78Å; C362-L364 HydrophobicContact CB-CB 4.35Å; C362-L364 HydrophobicContact CB-CD1 4.25Å; C362-L364 PolarHBondContact O-N 3.44Å; L364-F366 HydrophobicContact CB-CD1 4.3Å; L364-F366 WeakPolarHBondContact O-CD1 3.49Å
365	K	52.8	Low	52.2	Low	71 Å²	71	91.1 Å²	91.1	31%	0.309	45%	0.446	S	S	.	.			trans	-78.5	122.1	159.1	-64.1	176.7	-179	167.5	0	107.9	F254 F255 L363	F254-K365 HydrophobicContact CE2-CB 4.2Å; F254-K365 HydrophobicContact CZ-CB 3.95Å; F254-K365 HydrophobicContact CZ-CD 4.16Å; F254-K365 HydrophobicContact CZ-CG 4.3Å; F255-K365 VanDerWaalsContact O-CA 3.25Å; F255-K365 WeakPolarHBondContact O-CA 3.2Å; L363-K365 PolarHBondContact O-N 3.06Å
366	F	59.6	Low	52.5	Low	71 Å²	71	91.3 Å²	91.3	31%	0.311	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.9	179.4	67.9	-82.9	0	0	0	112.3	F255 L364 A368	F255-F366 HydrophobicContact CB-CD1 4.26Å; F255-F366 HydrophobicContact CB-CE1 3.93Å; F255-F366 HydrophobicContact CB-CZ 4.17Å; F255-F366 HydrophobicContact CD2-CD2 4.28Å; F255-F366 HydrophobicContact CD2-CE1 4.32Å; F255-F366 AromaticContact CD2-CE2 3.7Å; F255-F366 HydrophobicContact CD2-CE2 3.7Å; F255-F366 AromaticContact CD2-CZ 3.71Å; F255-F366 HydrophobicContact CD2-CZ 3.71Å; F255-F366 HydrophobicContact CE2-CE2 4.18Å; F255-F366 HydrophobicContact CE2-CZ 4.32Å; F255-F366 HydrophobicContact CG-CE1 4.24Å; F255-F366 HydrophobicContact CG-CE2 4.4Å; F255-F366 AromaticContact CG-CZ 3.98Å; F255-F366 HydrophobicContact CG-CZ 3.98Å; F255-F366 PolarHBondContact N-O 2.99Å; F255-F366 PolarHBondContact O-N 3.22Å; L364-F366 HydrophobicContact CB-CD1 4.3Å; L364-F366 WeakPolarHBondContact O-CD1 3.49Å; F366-A368 HydrophobicContact CD2-CB 3.7Å; F366-A368 HydrophobicContact CE2-CB 3.49Å; F366-A368 VanDerWaalsContact CE2-CB 3.49Å
367	C	61.5	Low	52.9	Low	45 Å²	45	96.5 Å²	96.5	30%	0.304	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.1	172	-87.7	0	0	0	0	109.5	L253 W318 C403	L253-C367 WeakPolarHBondContact O-CA 3.17Å; W318-C367 HydrophobicContact CH2-CB 3.61Å; W318-C367 HydrophobicContact CZ2-CB 3.97Å; W318-C367 HydrophobicContact CZ3-CB 4.31Å; C367-C403 HydrophobicContact CB-CB 3.89Å; C367-C403 WeakPolarHBondContact CB-SG 3.18Å; C367-C403 WeakPolarHBondContact SG-CB 3.42Å; C367-C403 CovalentContact SG-SG 2.01Å; C367-C403 PolarHBondContact SG-SG 3.32Å
368	A	64	Low	53.8	Low	16 Å²	16	94.5 Å²	94.5	13%	0.132	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143	176.1	0	0	0	0	0	113	L253 F255 F366 V370	L253-A368 PolarHBondContact N-O 3.35Å; L253-A368 VanDerWaalsContact N-O 3.09Å; L253-A368 PolarHBondContact O-N 2.77Å; F255-A368 HydrophobicContact CE2-CB 4.22Å; F366-A368 HydrophobicContact CD2-CB 3.7Å; F366-A368 HydrophobicContact CE2-CB 3.49Å; F366-A368 VanDerWaalsContact CE2-CB 3.49Å; A368-V370 HydrophobicContact CB-CG2 4.04Å
369	Q	64.9	Low	54.8	Low	105 Å²	105	96 Å²	96	49%	0.491	49%	0.49	S	S	.	.			trans	-103.6	119.6	160.8	-174.5	178.7	0.6	0	0	107.7	I382	Q369-I382 HydrophobicContact CG-CD1 4.07Å
370	V	64.8	Low	56.2	Low	36 Å²	36	88.9 Å²	88.9	22%	0.218	47%	0.465	C	S	.	.			trans	-116.1	117.3	-173.6	-169.6	0	0	0	0	110.1	A368 F372 L381	A368-V370 HydrophobicContact CB-CG2 4.04Å; V370-F372 HydrophobicContact CB-CE2 4.39Å; V370-F372 HydrophobicContact CG1-CD2 4.07Å; V370-F372 HydrophobicContact CG1-CE1 3.96Å; V370-F372 HydrophobicContact CG1-CE2 3.32Å; V370-F372 HydrophobicContact CG1-CZ 3.27Å; V370-L381 HydrophobicContact CB-CB 4.16Å; V370-L381 HydrophobicContact CB-CD2 4.01Å; V370-L381 HydrophobicContact CG1-CD2 4.39Å; V370-L381 HydrophobicContact CG2-CD2 4.37Å; V370-L381 WeakPolarHBondContact O-CB 3.28Å; V370-L381 PolarHBondContact O-N 3.47Å; V370-L381 VanDerWaalsContact O-N 3.11Å
371	R	65.6	Low	57.3	Low	160 Å²	160	81.2 Å²	81.2	60%	0.604	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.8	174.5	-176.2	172.8	172.8	152.8	-2.1	109.5	E373 S378	R371-E373 IonicContact CZ-OE1 3.77Å; R371-E373 VanDerWaalsContact CZ-OE1 3.29Å; R371-E373 IonicContact NE-OE1 3.93Å; R371-E373 PolarHBondContact NE-OE1 3.04Å; R371-E373 IonicContact NH2-OE1 2.54Å; R371-E373 PolarHBondContact NH2-OE1 3.22Å; R371-S378 PolarHBondContact NE-OG 3.42Å; R371-S378 VanDerWaalsContact NE-OG 3.07Å; R371-S378 PolarHBondContact NH2-OG 3.33Å
372	F	65	Low	58.7	Low	61 Å²	61	77.9 Å²	77.9	27%	0.268	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.2	179	-62.1	-77.3	0	0	0	110	F355 V370 S378 I379 L381	F355-F372 HydrophobicContact CD1-CE1 4.12Å; F355-F372 HydrophobicContact CD2-CD1 4.39Å; F355-F372 AromaticContact CD2-CE1 3.91Å; F355-F372 HydrophobicContact CD2-CE1 3.91Å; F355-F372 HydrophobicContact CD2-CZ 4.3Å; F355-F372 HydrophobicContact CE1-CD1 4.29Å; F355-F372 AromaticContact CE1-CE1 3.79Å; F355-F372 HydrophobicContact CE1-CE1 3.79Å; F355-F372 AromaticContact CE2-CD1 3.63Å; F355-F372 HydrophobicContact CE2-CD1 3.63Å; F355-F372 AromaticContact CE2-CE1 3.55Å; F355-F372 HydrophobicContact CE2-CE1 3.55Å; F355-F372 HydrophobicContact CE2-CG 4.46Å; F355-F372 HydrophobicContact CE2-CZ 4.33Å; F355-F372 HydrophobicContact CG-CE1 4.17Å; F355-F372 AromaticContact CZ-CD1 3.57Å; F355-F372 HydrophobicContact CZ-CD1 3.57Å; F355-F372 AromaticContact CZ-CE1 3.49Å; F355-F372 HydrophobicContact CZ-CE1 3.49Å; F355-F372 VanDerWaalsContact CZ-CE1 3.49Å; V370-F372 HydrophobicContact CB-CE2 4.39Å; V370-F372 HydrophobicContact CG1-CD2 4.07Å; V370-F372 HydrophobicContact CG1-CE1 3.96Å; V370-F372 HydrophobicContact CG1-CE2 3.32Å; V370-F372 HydrophobicContact CG1-CZ 3.27Å; F372-S378 CarbonylContact O-C 3.49Å; F372-S378 WeakPolarHBondContact O-CA 3.02Å; F372-I379 HydrophobicContact CB-CB 4.31Å; F372-I379 PolarHBondContact N-O 3.46Å; F372-I379 PolarHBondContact O-N 3.22Å; F372-L381 HydrophobicContact CE2-CB 4.37Å; F372-L381 HydrophobicContact CE2-CD1 4.41Å; F372-L381 HydrophobicContact CE2-CD2 4.42Å
373	E	63.8	Low	60	Low	132 Å²	132	82.2 Å²	82.2	62%	0.617	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.7	173.1	-61.3	-165.9	162	0	0	109.7	R371 R377 S378	R371-E373 IonicContact CZ-OE1 3.77Å; R371-E373 VanDerWaalsContact CZ-OE1 3.29Å; R371-E373 IonicContact NE-OE1 3.93Å; R371-E373 PolarHBondContact NE-OE1 3.04Å; R371-E373 IonicContact NH2-OE1 2.54Å; R371-E373 PolarHBondContact NH2-OE1 3.22Å; E373-R377 WeakPolarHBondContact CA-O 3.41Å; E373-S378 WeakPolarHBondContact CG-OG 3.06Å; E373-S378 PolarHBondContact OE1-OG 3.35Å
374	A	61.2	Low	61.2	Low	60 Å²	60	81.2 Å²	81.2	50%	0.496	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	131	177.7	0	0	0	0	0	110.1	G376 R377	A374-G376 VanDerWaalsContact C-N 3.26Å; A374-G376 PolarHBondContact O-N 2.71Å; A374-G376 VanDerWaalsContact O-N 3.14Å; A374-R377 PolarHBondContact N-O 2.9Å; A374-R377 WeakPolarHBondContact O-CB 3.33Å; A374-R377 PolarHBondContact O-N 3.19Å
375	D	59	Low	61.8	Low	162 Å²	162	79.7 Å²	79.7	87%	0.866	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	43.1	174.6	-56.7	-30.7	0	0	0	114.3	R377	D375-R377 VanDerWaalsContact C-N 3.27Å; D375-R377 PolarHBondContact O-N 2.82Å
376	G	55.7	Low	62.2	Low	89 Å²	89	79.8 Å²	79.8	92%	0.918	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	1.5	-179.7	0	0	0	0	0	115.2	A374	A374-G376 VanDerWaalsContact C-N 3.26Å; A374-G376 PolarHBondContact O-N 2.71Å; A374-G376 VanDerWaalsContact O-N 3.14Å
377	R	52.4	Low	62.3	Low	198 Å²	198	80 Å²	80	75%	0.747	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	172.2	-66.2	-175.4	176.7	-175.6	-1.3	110.4	E373 A374 D375	E373-R377 WeakPolarHBondContact CA-O 3.41Å; A374-R377 PolarHBondContact N-O 2.9Å; A374-R377 WeakPolarHBondContact O-CB 3.33Å; A374-R377 PolarHBondContact O-N 3.19Å; D375-R377 VanDerWaalsContact C-N 3.27Å; D375-R377 PolarHBondContact O-N 2.82Å
378	S	61.5	Low	61.8	Low	60 Å²	60	89.4 Å²	89.4	42%	0.42	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.9	171.2	-163.2	0	0	0	0	108.9	R371 F372 E373	R371-S378 PolarHBondContact NE-OG 3.42Å; R371-S378 VanDerWaalsContact NE-OG 3.07Å; R371-S378 PolarHBondContact NH2-OG 3.33Å; F372-S378 CarbonylContact O-C 3.49Å; F372-S378 WeakPolarHBondContact O-CA 3.02Å; E373-S378 WeakPolarHBondContact CG-OG 3.06Å; E373-S378 PolarHBondContact OE1-OG 3.35Å
379	I	60.9	Low	61.3	Low	75 Å²	75	96.9 Å²	96.9	39%	0.385	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	109	175.5	-56.1	176.3	0	0	0	107.2	F372 E384	F372-I379 HydrophobicContact CB-CB 4.31Å; F372-I379 PolarHBondContact N-O 3.46Å; F372-I379 PolarHBondContact O-N 3.22Å; I379-E384 HydrophobicContact CG2-CG 3.58Å
380	D	65.6	Low	60.9	Low	45 Å²	45	93 Å²	93	24%	0.241	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.7	166.6	-176.6	-31.3	0	0	0	108	I382 K383 E384	D380-I382 PolarHBondContact O-N 3.42Å; D380-I382 WeakPolarHBondContact OD1-CB 3.47Å; D380-I382 PolarHBondContact OD1-N 3.16Å; D380-K383 HydrophobicContact CB-CB 3.79Å; D380-K383 WeakPolarHBondContact O-CB 3.31Å; D380-K383 PolarHBondContact O-N 2.91Å; D380-K383 VanDerWaalsContact O-N 3.16Å; D380-K383 PolarHBondContact OD1-N 3.31Å; D380-E384 PolarHBondContact O-N 3.45Å
381	L	63.8	Low	60.4	Low	20 Å²	20	99 Å²	99	11%	0.105	51%	0.514	C	S	.	.	H	α-helix	trans	-62.8	-33.9	-174.5	-170.7	68.2	0	0	0	111.7	L253 V370 F372 K383 E384 L385	L253-L381 HydrophobicContact CD1-CD2 3.92Å; L253-L381 HydrophobicContact CD1-CG 4.23Å; V370-L381 HydrophobicContact CB-CB 4.16Å; V370-L381 HydrophobicContact CB-CD2 4.01Å; V370-L381 HydrophobicContact CG1-CD2 4.39Å; V370-L381 HydrophobicContact CG2-CD2 4.37Å; V370-L381 WeakPolarHBondContact O-CB 3.28Å; V370-L381 PolarHBondContact O-N 3.47Å; V370-L381 VanDerWaalsContact O-N 3.11Å; F372-L381 HydrophobicContact CE2-CB 4.37Å; F372-L381 HydrophobicContact CE2-CD1 4.41Å; F372-L381 HydrophobicContact CE2-CD2 4.42Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-E384 PolarHBondContact O-N 3.26Å; L381-L385 HydrophobicContact CD2-CD1 4.46Å; L381-L385 HydrophobicContact CG-CD1 3.96Å; L381-L385 HydrophobicContact CG-CG 4.35Å; L381-L385 WeakPolarHBondContact O-CB 3.46Å; L381-L385 WeakPolarHBondContact O-CG 3Å; L381-L385 PolarHBondContact O-N 2.98Å
382	I	63.3	Low	59.8	Low	29 Å²	29	93.1 Å²	93.1	15%	0.149	50%	0.497	C	S	.	.	H	α-helix	trans	-67.4	-42.4	178.8	-54.4	-168.6	0	0	0	109.5	S251 L253 Q369 D380 L385 S386	S251-I382 WeakPolarHBondContact O-CD1 3.35Å; L253-I382 HydrophobicContact CD1-CG1 4.06Å; L253-I382 HydrophobicContact CG-CD1 4.33Å; L253-I382 HydrophobicContact CG-CG1 3.96Å; Q369-I382 HydrophobicContact CG-CD1 4.07Å; D380-I382 PolarHBondContact O-N 3.42Å; D380-I382 WeakPolarHBondContact OD1-CB 3.47Å; D380-I382 PolarHBondContact OD1-N 3.16Å; I382-L385 PolarHBondContact O-N 3.23Å; I382-S386 PolarHBondContact O-N 3.36Å; I382-S386 VanDerWaalsContact O-N 3.15Å
383	K	65.1	Low	59.1	Low	148 Å²	148	99.8 Å²	99.8	64%	0.643	52%	0.521	S	S	*	.	H	α-helix	trans	-64.4	-46.4	177	-137.8	175.2	-172.5	179.7	0	111	D380 L381 L385 S386 V387	D380-K383 HydrophobicContact CB-CB 3.79Å; D380-K383 WeakPolarHBondContact O-CB 3.31Å; D380-K383 PolarHBondContact O-N 2.91Å; D380-K383 VanDerWaalsContact O-N 3.16Å; D380-K383 PolarHBondContact OD1-N 3.31Å; L381-K383 VanDerWaalsContact C-N 3.33Å; K383-L385 PolarHBondContact O-N 2.94Å; K383-S386 PolarHBondContact O-N 2.89Å; K383-S386 VanDerWaalsContact O-N 3.15Å; K383-S386 PolarHBondContact O-OG 3.45Å; K383-V387 WeakPolarHBondContact O-CG2 3.23Å; K383-V387 PolarHBondContact O-N 3.15Å
384	E	65.2	Low	58.6	Low	56 Å²	56	96.2 Å²	96.2	26%	0.262	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-39.2	176.9	-78.1	-59.8	135.9	0	0	113.4	I379 D380 L381 S386 V387 L391	I379-E384 HydrophobicContact CG2-CG 3.58Å; D380-E384 PolarHBondContact O-N 3.45Å; L381-E384 PolarHBondContact O-N 3.26Å; E384-S386 PolarHBondContact O-N 3.24Å; E384-V387 PolarHBondContact O-N 3.09Å; E384-L391 PolarHBondContact OE2-N 3.31Å
385	L	62.7	Low	58	Low	34 Å²	34	96.7 Å²	96.7	18%	0.178	51%	0.505	C	S	.	.	H	α-helix	trans	-70.6	-17	177.4	-71.5	172.9	0	0	0	113.2	L253 L381 I382 K383 V394 L399	L253-L385 HydrophobicContact CD1-CD1 3.67Å; L253-L385 HydrophobicContact CD2-CD1 3.99Å; L253-L385 HydrophobicContact CG-CD1 4.49Å; L381-L385 HydrophobicContact CD2-CD1 4.46Å; L381-L385 HydrophobicContact CG-CD1 3.96Å; L381-L385 HydrophobicContact CG-CG 4.35Å; L381-L385 WeakPolarHBondContact O-CB 3.46Å; L381-L385 WeakPolarHBondContact O-CG 3Å; L381-L385 PolarHBondContact O-N 2.98Å; I382-L385 PolarHBondContact O-N 3.23Å; K383-L385 PolarHBondContact O-N 2.94Å; L385-V394 HydrophobicContact CD2-CG2 3.63Å; L385-L399 HydrophobicContact CD1-CD2 3.99Å
386	S	61.8	Low	57.5	Low	74 Å²	74	90.6 Å²	90.6	52%	0.517	48%	0.48	S	S	.	.	H	α-helix	trans	-84.6	-17.4	175.2	75	0	0	0	0	113.6	I382 K383 E384 R388	I382-S386 PolarHBondContact O-N 3.36Å; I382-S386 VanDerWaalsContact O-N 3.15Å; K383-S386 PolarHBondContact O-N 2.89Å; K383-S386 VanDerWaalsContact O-N 3.15Å; K383-S386 PolarHBondContact O-OG 3.45Å; E384-S386 PolarHBondContact O-N 3.24Å; S386-R388 PolarHBondContact O-N 2.87Å
387	V	60.2	Low	56.9	Low	76 Å²	76	93.9 Å²	93.9	46%	0.461	48%	0.476	S	S	.	.	S	Bend	trans	-83	113.8	-179.7	-179.5	0	0	0	0	110	K383 E384 N389 G390	K383-V387 WeakPolarHBondContact O-CG2 3.23Å; K383-V387 PolarHBondContact O-N 3.15Å; E384-V387 PolarHBondContact O-N 3.09Å; V387-N389 PolarHBondContact O-N 3.32Å; V387-G390 PolarHBondContact O-N 2.76Å
388	R	51.4	Low	56.8	Low	242 Å²	242	89.9 Å²	89.9	91%	0.913	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	122.8	164.8	-90.4	-172	173.9	-146.9	0.4	108.3	S386	S386-R388 PolarHBondContact O-N 2.87Å
389	N	54.5	Low	56.4	Low	173 Å²	173	89.1 Å²	89.1	93%	0.925	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	23.8	-171.7	-57.5	-21.4	0	0	0	116	V387	V387-N389 PolarHBondContact O-N 3.32Å
390	G	55	Low	56.1	Low	23 Å²	23	86.7 Å²	86.7	24%	0.237	45%	0.454	C	S	.	.			trans	-63.6	172.7	169.3	0	0	0	0	0	113.3	V387 S392	V387-G390 PolarHBondContact O-N 2.76Å; G390-S392 PolarHBondContact O-N 2.83Å
391	L	54.8	Low	55.7	Low	162 Å²	162	93.3 Å²	93.3	85%	0.848	48%	0.476	S	S	*	.	S	Bend	trans	-68.3	-1.6	-179.5	-70.4	167.1	0	0	0	113.5	E384	E384-L391 PolarHBondContact OE2-N 3.31Å
392	S	53.8	Low	55.2	Low	36 Å²	36	94.5 Å²	94.5	25%	0.252	49%	0.486	S	S	.	.			trans	-128.1	148	-172.5	62.5	0	0	0	0	112.4	G390	G390-S392 PolarHBondContact O-N 2.83Å
393	R	50.4	Low	54.8	Low	201 Å²	201	94.3 Å²	94.3	76%	0.758	49%	0.487	S	S	*	.			trans	-135.2	131.7	177.5	-179	177.5	175.8	170.4	1	108.9	L261	L261-R393 WeakPolarHBondContact CD2-O 3.43Å
394	V	52.9	Low	54.1	Low	57 Å²	57	95.3 Å²	95.3	35%	0.345	49%	0.494	S	S	.	.			trans	-75	133.5	172.5	-173.7	0	0	0	0	109.3	Y259 L385 L399	Y259-V394 HydrophobicContact CD1-CG1 4.3Å; Y259-V394 HydrophobicContact CE1-CG1 3.95Å; L385-V394 HydrophobicContact CD2-CG2 3.63Å; V394-L399 HydrophobicContact CG1-CB 4.23Å; V394-L399 HydrophobicContact CG1-CD2 4.35Å; V394-L399 HydrophobicContact CG2-CD2 3.85Å
395	V	47.4	Very low	53.5	Low	71 Å²	71	95 Å²	95	43%	0.43	49%	0.493	S	S	.	.			trans	-130.9	109.5	171	-172	0	0	0	0	107.3	R260	R260-V395 PolarHBondContact N-O 2.82Å; R260-V395 WeakPolarHBondContact O-CB 3.13Å
396	G	48.9	Very low	52.9	Low	34 Å²	34	96.7 Å²	96.7	35%	0.351	51%	0.507	S	S	.	.	S	Bend	trans	136.5	157.7	-171.4	0	0	0	0	0	110.9
397	D	43	Very low	52.6	Low	157 Å²	157	95.8 Å²	95.8	84%	0.84	49%	0.494	S	S	*	.	S	Bend	trans	-101	12.4	-157.8	-70.8	-23.1	0	0	0	117.1
398	N	50.8	Low	52.6	Low	114 Å²	114	93.1 Å²	93.1	61%	0.61	48%	0.479	S	S	*	.			trans	-158.8	53.4	-173.5	-91.6	-36.5	0	0	0	115.4	S256 Y259 G400	S256-N398 WeakPolarHBondContact OG-CB 3.18Å; S256-N398 PolarHBondContact OG-O 3.49Å; Y259-N398 WeakPolarHBondContact OH-CA 3.49Å; Y259-N398 PolarHBondContact OH-N 3.06Å; Y259-N398 PolarHBondContact OH-O 3.29Å; N398-G400 PolarHBondContact O-N 3.14Å
399	L	53.6	Low	52.9	Low	44 Å²	44	82.5 Å²	82.5	23%	0.23	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	94.8	179.1	-166.7	83.6	0	0	0	108.5	L253 F255 Y259 L385 V394	L253-L399 HydrophobicContact CD2-CD1 4.4Å; L253-L399 HydrophobicContact CD2-CD2 3.74Å; L253-L399 HydrophobicContact CD2-CG 4.07Å; F255-L399 HydrophobicContact CD1-CD1 4.19Å; F255-L399 HydrophobicContact CE1-CD1 4.12Å; Y259-L399 HydrophobicContact CE1-CB 4.22Å; Y259-L399 HydrophobicContact CE1-CD1 4.26Å; Y259-L399 HydrophobicContact CE2-CD1 4.46Å; Y259-L399 PolarHBondContact OH-N 2.7Å; L385-L399 HydrophobicContact CD1-CD2 3.99Å; V394-L399 HydrophobicContact CG1-CB 4.23Å; V394-L399 HydrophobicContact CG1-CD2 4.35Å; V394-L399 HydrophobicContact CG2-CD2 3.85Å
400	G	54.8	Low	53.4	Low	24 Å²	24	80.3 Å²	80.3	25%	0.247	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.1	176.3	0	0	0	0	0	111.1	F254 N398	F254-G400 PolarHBondContact N-O 3.3Å; F254-G400 PolarHBondContact O-N 3.22Å; N398-G400 PolarHBondContact O-N 3.14Å
401	R	57	Low	54.6	Low	185 Å²	185	79.3 Å²	79.3	70%	0.698	42%	0.415	S	S	*	.	S	Bend	trans	-95.6	5.1	176.3	-66.8	-177.1	175.9	-177	-3.2	113.6	F252	F252-R401 CarbonylContact O-C 3.54Å; F252-R401 WeakPolarHBondContact O-CA 3.12Å
402	S	52.6	Low	56.1	Low	44 Å²	44	71.7 Å²	71.7	31%	0.308	38%	0.376	S	S	.	.			trans	-129.3	142.3	-177.7	-174.6	0	0	0	0	110.2	Q404	S402-Q404 WeakPolarHBondContact OG-CB 3.29Å; S402-Q404 VanDerWaalsContact OG-CD 3.27Å; S402-Q404 VanDerWaalsContact OG-CG 3.22Å; S402-Q404 WeakPolarHBondContact OG-CG 3.49Å; S402-Q404 PolarHBondContact OG-N 2.83Å; S402-Q404 PolarHBondContact OG-OE1 3.46Å
403	C	55.1	Low	57.6	Low	26 Å²	26	70.4 Å²	70.4	18%	0.176	37%	0.366	C	S	.	.			trans	-116.1	39.3	173.7	-78.7	0	0	0	0	111.1	F252 W318 C367 H405	F252-C403 HydrophobicContact CB-CB 3.78Å; F252-C403 WeakPolarHBondContact CB-SG 3.37Å; F252-C403 HydrophobicContact CD2-CB 3.86Å; F252-C403 HydrophobicContact CG-CB 3.91Å; W318-C403 HydrophobicContact CH2-CB 4.46Å; W318-C403 HydrophobicContact CZ2-CB 4.03Å; C367-C403 HydrophobicContact CB-CB 3.89Å; C367-C403 WeakPolarHBondContact CB-SG 3.18Å; C367-C403 WeakPolarHBondContact SG-CB 3.42Å; C367-C403 CovalentContact SG-SG 2.01Å; C367-C403 PolarHBondContact SG-SG 3.32Å; C403-H405 PolarHBondContact O-N 3.18Å
404	Q	50.2	Low	59.6	Low	168 Å²	168	60.8 Å²	60.8	79%	0.785	33%	0.33	S	S	*	.			trans	-79.9	6.7	-178.3	-79.9	171.4	-40	0	0	114.2	S402	S402-Q404 WeakPolarHBondContact OG-CB 3.29Å; S402-Q404 VanDerWaalsContact OG-CD 3.27Å; S402-Q404 VanDerWaalsContact OG-CG 3.22Å; S402-Q404 WeakPolarHBondContact OG-CG 3.49Å; S402-Q404 PolarHBondContact OG-N 2.83Å; S402-Q404 PolarHBondContact OG-OE1 3.46Å
405	H	52.5	Low	61	Low	51 Å²	51	60.7 Å²	60.7	24%	0.236	33%	0.327	C	S	.	.			trans	-88	117.3	-174.7	-64.2	-75	0	0	0	110.1	C403 F407 D592 L594	C403-H405 PolarHBondContact O-N 3.18Å; H405-F407 PolarHBondContact O-N 2.96Å; H405-D592 HydrophobicContact CB-CB 4.38Å; H405-D592 PolarHBondContact ND1-O 3.43Å; H405-L594 WeakPolarHBondContact CE1-CD2 3.47Å; H405-L594 WeakPolarHBondContact CE1-CG 3.41Å; H405-L594 WeakPolarHBondContact NE2-CD2 3.49Å
406	S	50.6	Low	62.7	Low	69 Å²	69	59 Å²	59	48%	0.483	32%	0.318	S	S	.	.			trans	-64.4	130	170.4	73.2	0	0	0	0	108.6	D592	S406-D592 VanDerWaalsContact CB-OD2 3.25Å; S406-D592 WeakPolarHBondContact CB-OD2 3.13Å; S406-D592 PolarHBondContact N-OD2 3.42Å; S406-D592 PolarHBondContact O-N 2.8Å; S406-D592 PolarHBondContact OG-OD1 2.85Å; S406-D592 PolarHBondContact OG-OD2 2.75Å
407	F	56	Low	64.5	Low	54 Å²	54	60 Å²	60	24%	0.237	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122	176.7	174.2	-107.3	0	0	0	108.5	G316 H405 G589 C590 Y591	G316-F407 VanDerWaalsContact CA-CD1 3.42Å; H405-F407 PolarHBondContact O-N 2.96Å; F407-G589 VanDerWaalsContact CE2-CA 3.46Å; F407-C590 CarbonylContact C-O 2.86Å; F407-C590 WeakPolarHBondContact CA-O 3.41Å; F407-Y591 HydrophobicContact CB-CD1 4.11Å; F407-Y591 HydrophobicContact CB-CE1 4.21Å; F407-Y591 AromaticContact CD2-CD1 3.39Å; F407-Y591 HydrophobicContact CD2-CD1 3.39Å; F407-Y591 HydrophobicContact CD2-CD2 4.06Å; F407-Y591 AromaticContact CD2-CE1 3.07Å; F407-Y591 HydrophobicContact CD2-CE1 3.07Å; F407-Y591 AromaticContact CD2-CE2 3.78Å; F407-Y591 HydrophobicContact CD2-CE2 3.78Å; F407-Y591 AromaticContact CD2-CG 3.88Å; F407-Y591 HydrophobicContact CD2-CG 3.88Å; F407-Y591 AromaticContact CD2-CZ 3.27Å; F407-Y591 HydrophobicContact CE2-CD1 4.17Å; F407-Y591 HydrophobicContact CE2-CD2 4.25Å; F407-Y591 AromaticContact CE2-CE1 3.5Å; F407-Y591 HydrophobicContact CE2-CE1 3.5Å; F407-Y591 VanDerWaalsContact CE2-CE1 3.5Å; F407-Y591 AromaticContact CE2-CE2 3.57Å; F407-Y591 HydrophobicContact CE2-CE2 3.57Å; F407-Y591 AromaticContact CE2-CZ 3.13Å; F407-Y591 WeakPolarHBondContact CE2-OH 3.43Å; F407-Y591 HydrophobicContact CG-CD1 4.12Å; F407-Y591 AromaticContact CG-CE1 3.83Å; F407-Y591 HydrophobicContact CG-CE1 3.83Å
408	S	58.5	Low	66.6	Low	20 Å²	20	56.1 Å²	56.1	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	106.8	170.6	179.4	0	0	0	0	108.3	E410 A411 G589 C590	S408-E410 VanDerWaalsContact C-N 3.28Å; S408-E410 PolarHBondContact O-N 2.56Å; S408-A411 PolarHBondContact O-N 3.48Å; S408-G589 CarbonylContact O-C 3.29Å; S408-G589 WeakPolarHBondContact O-CA 3.41Å; S408-C590 PolarHBondContact N-O 2.98Å; S408-C590 PolarHBondContact O-N 2.85Å
409	S	59.5	Low	68.3	Low	20 Å²	20	50.7 Å²	50.7	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-22.8	-179.5	55.3	0	0	0	0	113.7	L311 D315 A411	L311-S409 WeakPolarHBondContact CD2-O 3.14Å; D315-S409 PolarHBondContact O-OG 3.14Å; S409-A411 VanDerWaalsContact C-N 3.32Å
410	E	63.7	Low	70.1	Confident	127 Å²	127	52.5 Å²	52.5	59%	0.593	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	-7.8	-179.7	-62.9	171.2	168.5	0	0	113	S408	S408-E410 VanDerWaalsContact C-N 3.28Å; S408-E410 PolarHBondContact O-N 2.56Å
411	A	81.1	Confident	71.8	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	167.5	176.8	0	0	0	0	0	111.9	S408 S409 W495 I562 R563 G589 C590	S408-A411 PolarHBondContact O-N 3.48Å; S409-A411 VanDerWaalsContact C-N 3.32Å; A411-W495 HydrophobicContact CB-CH2 3.96Å; A411-W495 HydrophobicContact CB-CZ2 4.43Å; A411-I562 CarbonylContact C-O 3.59Å; A411-I562 VanDerWaalsContact CA-O 3.3Å; A411-I562 WeakPolarHBondContact CA-O 3.36Å; A411-R563 HydrophobicContact CB-CB 3.89Å; A411-G589 WeakPolarHBondContact O-CA 3.35Å; A411-G589 PolarHBondContact O-N 3.21Å; A411-C590 HydrophobicContact CB-CB 3.5Å; A411-C590 VanDerWaalsContact CB-CB 3.5Å
412	V	85.6	Confident	73.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.2	160.2	-71.6	0	0	0	0	109.9	F414 C561 I562 F574 V586 E587	V412-F414 HydrophobicContact CG2-CE2 3.92Å; V412-C561 CarbonylContact O-C 3.57Å; V412-C561 WeakPolarHBondContact O-CA 3.2Å; V412-I562 HydrophobicContact CG2-CB 4.42Å; V412-I562 PolarHBondContact N-O 2.79Å; V412-I562 PolarHBondContact O-N 3.14Å; V412-F574 HydrophobicContact CG1-CB 3.51Å; V412-F574 HydrophobicContact CG1-CD2 4.23Å; V412-F574 HydrophobicContact CG1-CG 4.02Å; V412-F574 HydrophobicContact CG2-CB 4.3Å; V412-F574 HydrophobicContact CG2-CD1 4.21Å; V412-F574 HydrophobicContact CG2-CD2 3.76Å; V412-F574 HydrophobicContact CG2-CE1 4.42Å; V412-F574 HydrophobicContact CG2-CE2 4.01Å; V412-F574 HydrophobicContact CG2-CG 3.86Å; V412-F574 HydrophobicContact CG2-CZ 4.32Å; V412-V586 HydrophobicContact CB-CG1 4.02Å; V412-V586 HydrophobicContact CG2-CG1 4.43Å; V412-E587 CarbonylContact C-O 3.43Å; V412-E587 VanDerWaalsContact CA-O 3.29Å; V412-E587 WeakPolarHBondContact CA-O 3.32Å
413	T	86.4	Confident	74.5	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.049	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.2	174.6	-59.8	0	0	0	0	109.9	L415 G560 C561 V586 E587 G589	T413-L415 HydrophobicContact CG2-CD2 3.91Å; T413-G560 CarbonylContact C-O 3.51Å; T413-G560 WeakPolarHBondContact CA-O 3.34Å; T413-C561 PolarHBondContact OG1-SG 3.17Å; T413-V586 CarbonylContact O-C 3.57Å; T413-V586 VanDerWaalsContact O-CA 3.29Å; T413-V586 WeakPolarHBondContact O-CA 3.48Å; T413-E587 PolarHBondContact N-O 3.13Å; T413-E587 PolarHBondContact O-N 2.69Å; T413-G589 PolarHBondContact N-O 3.26Å; T413-G589 PolarHBondContact OG1-O 2.87Å
414	F	90.7	Very high	75.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.6	166.7	-67.5	-99.8	0	0	0	108.2	V412 G419 L421 I535 F558 I559 G560 I562 V586	V412-F414 HydrophobicContact CG2-CE2 3.92Å; F414-G419 VanDerWaalsContact CD1-O 3.28Å; F414-G419 WeakPolarHBondContact CD1-O 3.44Å; F414-L421 HydrophobicContact CE1-CG 4.25Å; F414-L421 HydrophobicContact CZ-CD1 3.98Å; F414-L421 HydrophobicContact CZ-CG 4.09Å; F414-I535 HydrophobicContact CZ-CG2 3.97Å; F414-F558 HydrophobicContact CB-CD1 4.22Å; F414-F558 WeakPolarHBondContact CB-O 3.25Å; F414-F558 AromaticContact CD2-CD1 3.85Å; F414-F558 HydrophobicContact CD2-CD1 3.85Å; F414-F558 HydrophobicContact CD2-CE1 4.2Å; F414-F558 HydrophobicContact CG-CD1 4.13Å; F414-I559 VanDerWaalsContact O-CG2 3.29Å; F414-I559 WeakPolarHBondContact O-CG2 3.39Å; F414-G560 PolarHBondContact N-O 2.64Å; F414-G560 PolarHBondContact O-N 3.03Å; F414-I562 HydrophobicContact CD2-CD1 4.3Å; F414-I562 HydrophobicContact CD2-CG1 4.37Å; F414-I562 HydrophobicContact CE2-CB 4.4Å; F414-I562 HydrophobicContact CE2-CD1 3.74Å; F414-I562 HydrophobicContact CE2-CG1 4.06Å; F414-I562 HydrophobicContact CZ-CD1 4.46Å; F414-V586 HydrophobicContact CD1-CG1 4.35Å; F414-V586 HydrophobicContact CD1-CG2 3.52Å; F414-V586 HydrophobicContact CD2-CG1 4.49Å; F414-V586 HydrophobicContact CE1-CG1 4.29Å; F414-V586 HydrophobicContact CE1-CG2 3.62Å; F414-V586 HydrophobicContact CE2-CG1 4.43Å; F414-V586 HydrophobicContact CG-CG1 4.44Å; F414-V586 HydrophobicContact CG-CG2 4.25Å; F414-V586 HydrophobicContact CZ-CG1 4.33Å; F414-V586 HydrophobicContact CZ-CG2 4.42Å
415	L	83.2	Confident	75.9	Confident	54 Å²	54	44 Å²	44	28%	0.283	26%	0.256	S	S	.	.			trans	-85.6	-23.6	-173.2	-64.9	-180	0	0	0	113.2	T413 P585 E587 N613	T413-L415 HydrophobicContact CG2-CD2 3.91Å; L415-P585 PolarHBondContact N-O 3.12Å; L415-E587 HydrophobicContact CD1-CG 3.69Å; L415-E587 HydrophobicContact CG-CG 4.29Å; L415-N613 WeakPolarHBondContact CD2-ND2 3.33Å
416	S	83.5	Confident	76.7	Confident	36 Å²	36	42.1 Å²	42.1	25%	0.252	25%	0.247	S	C	.	.	S	Bend	trans	-149	157.2	-174.2	60.2	0	0	0	0	111.3	D418 G419	S416-D418 WeakPolarHBondContact CB-OD1 3.42Å; S416-D418 PolarHBondContact O-N 2.84Å; S416-D418 VanDerWaalsContact O-N 3.13Å; S416-D418 PolarHBondContact OG-OD1 3.23Å; S416-G419 PolarHBondContact O-N 3.33Å
417	S	86.4	Confident	77.3	Confident	55 Å²	55	44.9 Å²	44.9	39%	0.385	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-5.1	-173.2	66.6	0	0	0	0	114.6	A537 G557	S417-A537 WeakPolarHBondContact O-CB 3.33Å; S417-G557 WeakPolarHBondContact O-CA 3.36Å; S417-G557 PolarHBondContact O-N 3.03Å; S417-G557 VanDerWaalsContact O-N 3.08Å
418	D	86.2	Confident	77.6	Confident	76 Å²	76	42.4 Å²	42.4	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-1.4	173.7	57.2	-23.3	0	0	0	112.6	S416 Y420	S416-D418 WeakPolarHBondContact CB-OD1 3.42Å; S416-D418 PolarHBondContact O-N 2.84Å; S416-D418 VanDerWaalsContact O-N 3.13Å; S416-D418 PolarHBondContact OG-OD1 3.23Å; D418-Y420 WeakPolarHBondContact O-CD1 3.48Å; D418-Y420 PolarHBondContact O-N 2.81Å
419	G	88	Confident	78.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	C	.	.			trans	-71.6	121.7	174.9	0	0	0	0	0	112.3	F414 S416 G536 A537	F414-G419 VanDerWaalsContact CD1-O 3.28Å; F414-G419 WeakPolarHBondContact CD1-O 3.44Å; S416-G419 PolarHBondContact O-N 3.33Å; G419-G536 CarbonylContact O-C 3.27Å; G419-A537 WeakPolarHBondContact O-CB 3.22Å; G419-A537 PolarHBondContact O-N 3.46Å
420	Y	90.8	Very high	79.8	Confident	82 Å²	82	46.8 Å²	46.8	32%	0.322	27%	0.268	S	S	.	.			trans	-137.5	155.7	174.9	67.7	-85.4	0	0	0	112.3	D418 N422 I535 A537 P539	D418-Y420 WeakPolarHBondContact O-CD1 3.48Å; D418-Y420 PolarHBondContact O-N 2.81Å; Y420-N422 WeakPolarHBondContact CD2-OD1 3.49Å; Y420-N422 WeakPolarHBondContact CE2-OD1 2.98Å; Y420-I535 CarbonylContact C-O 3.53Å; Y420-I535 WeakPolarHBondContact CA-O 3.4Å; Y420-A537 VanDerWaalsContact CB-O 3.24Å; Y420-A537 WeakPolarHBondContact CB-O 3.48Å; Y420-P539 HydrophobicContact CD2-CG 4.39Å; Y420-P539 HydrophobicContact CE1-CG 4.21Å; Y420-P539 HydrophobicContact CE2-CG 3.93Å
421	L	89.7	Confident	80.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.7	169.3	-57.9	176.5	0	0	0	109.4	F414 Q534 I535 F574 L577 L578 V586	F414-L421 HydrophobicContact CE1-CG 4.25Å; F414-L421 HydrophobicContact CZ-CD1 3.98Å; F414-L421 HydrophobicContact CZ-CG 4.09Å; L421-Q534 WeakPolarHBondContact O-CA 3.21Å; L421-I535 HydrophobicContact CB-CB 4.38Å; L421-I535 PolarHBondContact N-O 3.07Å; L421-I535 PolarHBondContact O-N 3.31Å; L421-F574 HydrophobicContact CD1-CB 4.42Å; L421-F574 HydrophobicContact CD1-CD1 3.35Å; L421-F574 HydrophobicContact CD1-CE1 3.85Å; L421-F574 HydrophobicContact CD1-CG 4.21Å; L421-L577 HydrophobicContact CB-CB 4.28Å; L421-L577 HydrophobicContact CB-CD1 4.46Å; L421-L577 HydrophobicContact CD2-CB 4.34Å; L421-L578 HydrophobicContact CD2-CD2 3.95Å; L421-V586 HydrophobicContact CD1-CG1 4.36Å; L421-V586 HydrophobicContact CD2-CB 4.36Å; L421-V586 HydrophobicContact CD2-CG1 4.36Å; L421-V586 HydrophobicContact CD2-CG2 4.25Å; L421-V586 HydrophobicContact CG-CG2 4.48Å
422	N	85.4	Confident	81.1	Confident	83 Å²	83	44 Å²	44	44%	0.444	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.1	174.2	-73.7	-23.2	0	0	0	109.1	Y420 L577	Y420-N422 WeakPolarHBondContact CD2-OD1 3.49Å; Y420-N422 WeakPolarHBondContact CE2-OD1 2.98Å; N422-L577 WeakPolarHBondContact O-CD2 3.33Å
423	A	80.9	Confident	81.3	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.2	170.3	0	0	0	0	0	110.1	M533 I535 L572 L577	A423-M533 HydrophobicContact CB-CB 4.08Å; A423-M533 HydrophobicContact CB-CE 4.42Å; A423-M533 HydrophobicContact CB-CG 3.98Å; A423-M533 HydrophobicContact CB-SD 3.75Å; A423-M533 PolarHBondContact N-O 3.12Å; A423-M533 WeakPolarHBondContact O-CB 3.44Å; A423-M533 PolarHBondContact O-N 3.36Å; A423-I535 HydrophobicContact CB-CD1 4.31Å; A423-L572 HydrophobicContact CB-CD1 4.38Å; A423-L577 HydrophobicContact CB-CD1 4.17Å
424	T	72	Confident	81.6	Confident	124 Å²	124	47.3 Å²	47.3	76%	0.761	28%	0.278	S	S	*	.			trans	-127.5	148.8	179	56.8	0	0	0	0	109.8
425	G	62.8	Low	81.8	Confident	58 Å²	58	47.3 Å²	47.3	60%	0.598	28%	0.279	S	S	*	.			trans	116.2	-15.3	167.5	0	0	0	0	0	115.3	H427	G425-H427 PolarHBondContact O-ND1 3Å; G425-H427 VanDerWaalsContact O-ND1 3.13Å
426	W	70.5	Confident	82.3	Confident	11 Å²	11	45 Å²	45	4%	0.042	27%	0.266	C	S	.	.			trans	-95.9	109.6	173.6	-162.2	59.8	0	0	0	111.4	V434 V450 F461 L527 I567 D568	W426-V434 HydrophobicContact CH2-CG2 3.92Å; W426-V434 HydrophobicContact CZ2-CG2 4.01Å; W426-V434 HydrophobicContact CZ3-CG2 4.36Å; W426-V450 HydrophobicContact CE3-CB 4.3Å; W426-V450 HydrophobicContact CE3-CG1 3.92Å; W426-V450 HydrophobicContact CE3-CG2 3.75Å; W426-V450 HydrophobicContact CZ3-CB 4.15Å; W426-V450 HydrophobicContact CZ3-CG1 4.08Å; W426-V450 HydrophobicContact CZ3-CG2 3.78Å; W426-F461 HydrophobicContact CH2-CD1 4.13Å; W426-F461 HydrophobicContact CH2-CD2 4.25Å; W426-F461 HydrophobicContact CH2-CE1 4.28Å; W426-F461 HydrophobicContact CH2-CE2 4.38Å; W426-F461 HydrophobicContact CH2-CG 4.13Å; W426-F461 HydrophobicContact CH2-CZ 4.41Å; W426-F461 HydrophobicContact CZ3-CB 4.46Å; W426-F461 HydrophobicContact CZ3-CD1 4.02Å; W426-F461 HydrophobicContact CZ3-CE1 4.48Å; W426-F461 HydrophobicContact CZ3-CG 4.18Å; W426-L527 HydrophobicContact CZ3-CD2 4.47Å; W426-I567 HydrophobicContact CB-CD1 4.12Å; W426-I567 HydrophobicContact CB-CG2 3.76Å; W426-I567 HydrophobicContact CD2-CG2 4.04Å; W426-I567 HydrophobicContact CG-CG2 3.36Å; W426-D568 PolarHBondContact NE1-OD2 3.03Å; W426-D568 VanDerWaalsContact NE1-OD2 3.09Å
427	H	62.5	Low	82.9	Confident	126 Å²	126	48.3 Å²	48.3	58%	0.583	27%	0.273	S	S	*	.			trans	-98.7	4.2	-179.4	-55.2	81.7	0	0	0	111.8	G425 G429	G425-H427 PolarHBondContact O-ND1 3Å; G425-H427 VanDerWaalsContact O-ND1 3.13Å; H427-G429 PolarHBondContact O-N 3.14Å
428	G	62.9	Low	83.4	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	26%	0.255	C	S	.	.			trans	71.7	-42.1	179.8	0	0	0	0	0	115	S431 R502	G428-S431 CarbonylContact O-C 3.55Å; G428-R502 PolarHBondContact O-NH2 3.15Å
429	G	78.1	Confident	83.8	Confident	29 Å²	29	42.8 Å²	42.8	30%	0.299	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	51.1	-152.4	173	0	0	0	0	0	114.4	H427 R502 T526 L527	H427-G429 PolarHBondContact O-N 3.14Å; G429-R502 PolarHBondContact O-NH2 2.9Å; G429-T526 WeakPolarHBondContact O-CA 3.36Å; G429-L527 PolarHBondContact O-N 2.84Å
430	I	84.9	Confident	84	Confident	102 Å²	102	42.8 Å²	42.8	52%	0.523	24%	0.238	S	C	.	.	S	Bend	trans	-79.4	-31.1	173.9	-63.5	172.5	0	0	0	110.6	R502 A504	I430-R502 PolarHBondContact O-NH1 3.04Å; I430-A504 HydrophobicContact CG2-CB 4.21Å; I430-A504 WeakPolarHBondContact O-CA 3.25Å; I430-A504 PolarHBondContact O-N 3.4Å
431	S	86.5	Confident	83.9	Confident	66 Å²	66	41.8 Å²	41.8	46%	0.462	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.8	179.5	57.7	0	0	0	0	110.4	G428 R502	G428-S431 CarbonylContact O-C 3.55Å; S431-R502 CarbonylContact C-O 3.19Å; S431-R502 WeakPolarHBondContact CA-O 3.45Å; S431-R502 WeakPolarHBondContact CB-O 3.46Å
432	G	85.8	Confident	83.9	Confident	5 Å²	5	43 Å²	43	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	158.7	170.7	0	0	0	0	0	113	R502 D568	G432-R502 PolarHBondContact N-O 2.92Å; G432-R502 PolarHBondContact O-N 3.07Å; G432-D568 WeakPolarHBondContact CA-OD1 3.32Å
433	Q	90.8	Very high	83.9	Confident	76 Å²	76	40.5 Å²	40.5	36%	0.355	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.7	178.2	-178.1	178.6	-8.6	0	0	110.2	I500 I567 D568	Q433-I500 CarbonylContact C-O 3.49Å; Q433-I500 VanDerWaalsContact CA-O 3.28Å; Q433-I500 WeakPolarHBondContact CA-O 3.08Å; Q433-I567 CarbonylContact O-C 3.45Å; Q433-I567 WeakPolarHBondContact O-CA 3.27Å; Q433-D568 PolarHBondContact N-OD1 2.8Å; Q433-D568 PolarHBondContact O-N 2.57Å
434	V	92.2	Very high	84.2	Confident	3 Å²	3	42 Å²	42	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	173.3	176.9	0	0	0	0	107.8	W426 F436 L448 F461 I463 N499 I500 F565 T566	W426-V434 HydrophobicContact CH2-CG2 3.92Å; W426-V434 HydrophobicContact CZ2-CG2 4.01Å; W426-V434 HydrophobicContact CZ3-CG2 4.36Å; V434-F436 HydrophobicContact CG1-CD1 3.97Å; V434-F436 HydrophobicContact CG1-CE1 4.09Å; V434-L448 HydrophobicContact CG1-CD2 3.91Å; V434-L448 HydrophobicContact CG2-CD2 4.23Å; V434-F461 HydrophobicContact CG2-CE1 4.42Å; V434-I463 HydrophobicContact CG1-CD1 4.27Å; V434-N499 CarbonylContact O-C 3.51Å; V434-N499 WeakPolarHBondContact O-CA 3.3Å; V434-I500 PolarHBondContact N-O 2.98Å; V434-I500 PolarHBondContact O-N 2.9Å; V434-F565 HydrophobicContact CG1-CE1 4.15Å; V434-F565 HydrophobicContact CG1-CZ 4.08Å; V434-T566 WeakPolarHBondContact CA-O 3.48Å
435	G	94	Very high	85.2	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.7	175	0	0	0	0	0	111.3	V498 F565 T566	G435-V498 CarbonylContact C-O 3.43Å; G435-V498 WeakPolarHBondContact CA-O 3.49Å; G435-F565 CarbonylContact O-C 3.59Å; G435-F565 WeakPolarHBondContact O-CA 3.41Å; G435-T566 WeakPolarHBondContact CA-OG1 3.46Å; G435-T566 PolarHBondContact N-O 2.84Å; G435-T566 PolarHBondContact N-OG1 2.9Å; G435-T566 PolarHBondContact O-N 3.12Å; G435-T566 PolarHBondContact O-OG1 2.91Å; G435-T566 VanDerWaalsContact O-OG1 3.06Å
436	F	95.2	Very high	86.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	165.5	175.3	56.6	-90.5	0	0	0	110.7	V434 F438 L447 I463 V498 I562 F565	V434-F436 HydrophobicContact CG1-CD1 3.97Å; V434-F436 HydrophobicContact CG1-CE1 4.09Å; F436-F438 HydrophobicContact CD2-CB 4.31Å; F436-F438 HydrophobicContact CD2-CD1 4.19Å; F436-F438 HydrophobicContact CE2-CB 4.4Å; F436-F438 AromaticContact CE2-CD1 3.73Å; F436-F438 HydrophobicContact CE2-CD1 3.73Å; F436-F438 HydrophobicContact CE2-CE1 4.46Å; F436-F438 HydrophobicContact CE2-CG 4.36Å; F436-L447 HydrophobicContact CE2-CD2 3.5Å; F436-L447 VanDerWaalsContact CE2-CD2 3.5Å; F436-L447 HydrophobicContact CZ-CD2 3.84Å; F436-I463 HydrophobicContact CE1-CD1 3.68Å; F436-I463 HydrophobicContact CZ-CD1 4.13Å; F436-I463 HydrophobicContact CZ-CG2 4.21Å; F436-V498 HydrophobicContact CD2-CB 4.29Å; F436-V498 HydrophobicContact CD2-CG2 4.41Å; F436-V498 HydrophobicContact CE1-CB 4.14Å; F436-V498 HydrophobicContact CE1-CG1 4.05Å; F436-V498 HydrophobicContact CE2-CB 3.87Å; F436-V498 HydrophobicContact CE2-CG1 4.42Å; F436-V498 HydrophobicContact CE2-CG2 3.76Å; F436-V498 HydrophobicContact CZ-CB 3.79Å; F436-V498 HydrophobicContact CZ-CG1 3.84Å; F436-V498 HydrophobicContact CZ-CG2 3.99Å; F436-V498 PolarHBondContact N-O 2.81Å; F436-V498 PolarHBondContact O-N 3.14Å; F436-I562 HydrophobicContact CB-CG2 4.39Å; F436-F565 HydrophobicContact CB-CB 4.1Å; F436-F565 HydrophobicContact CB-CD2 3.51Å; F436-F565 HydrophobicContact CB-CE2 4.12Å; F436-F565 HydrophobicContact CB-CG 3.93Å; F436-F565 AromaticContact CD1-CD2 3.98Å; F436-F565 HydrophobicContact CD1-CD2 3.98Å; F436-F565 AromaticContact CD1-CE2 3.68Å; F436-F565 HydrophobicContact CD1-CE2 3.68Å; F436-F565 HydrophobicContact CD1-CZ 4.16Å; F436-F565 HydrophobicContact CE1-CE2 4.32Å; F436-F565 AromaticContact CG-CD2 3.84Å; F436-F565 HydrophobicContact CG-CD2 3.84Å; F436-F565 AromaticContact CG-CE2 3.96Å; F436-F565 HydrophobicContact CG-CE2 3.96Å
437	R	95.8	Very high	88	Confident	106 Å²	106	33 Å²	33	40%	0.4	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139	166.3	-63.3	-173.5	172.4	90.8	5.6	109.9	W495 H496 A497 I562 R563 D564	R437-W495 HydrophobicContact CB-CE3 3.96Å; R437-W495 HydrophobicContact CB-CZ3 4.37Å; R437-H496 CarbonylContact C-O 3.12Å; R437-H496 WeakPolarHBondContact CA-O 3.41Å; R437-A497 HydrophobicContact CG-CB 4.08Å; R437-I562 CarbonylContact O-C 3.5Å; R437-I562 WeakPolarHBondContact O-CA 3.19Å; R437-R563 HydrophobicContact CB-CG 3.84Å; R437-R563 PolarHBondContact N-O 3.22Å; R437-R563 PolarHBondContact O-N 3.17Å; R437-D564 WeakPolarHBondContact CD-OD2 3.43Å; R437-D564 IonicContact CZ-OD2 2.87Å; R437-D564 IonicContact NE-OD2 2.84Å; R437-D564 IonicContact NH1-OD2 3.24Å; R437-D564 PolarHBondContact NH1-OD2 2.7Å
438	F	96.3	Very high	89.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.9	175.3	78.3	-78.7	0	0	0	111.5	F436 T440 L447 M465 L470 V490 W495 H496 V498 F558 C561 I562	F436-F438 HydrophobicContact CD2-CB 4.31Å; F436-F438 HydrophobicContact CD2-CD1 4.19Å; F436-F438 HydrophobicContact CE2-CB 4.4Å; F436-F438 AromaticContact CE2-CD1 3.73Å; F436-F438 HydrophobicContact CE2-CD1 3.73Å; F436-F438 HydrophobicContact CE2-CE1 4.46Å; F436-F438 HydrophobicContact CE2-CG 4.36Å; F438-T440 HydrophobicContact CD2-CG2 4.14Å; F438-T440 HydrophobicContact CE2-CG2 4.04Å; F438-L447 HydrophobicContact CB-CD2 4.39Å; F438-L447 HydrophobicContact CD1-CD2 4.04Å; F438-L447 HydrophobicContact CD2-CD2 4.21Å; F438-L447 HydrophobicContact CE1-CD2 4.38Å; F438-L447 HydrophobicContact CG-CD2 3.94Å; F438-M465 HydrophobicContact CE2-SD 4.31Å; F438-L470 HydrophobicContact CE1-CD1 4.48Å; F438-L470 HydrophobicContact CE1-CD2 4.5Å; F438-L470 HydrophobicContact CZ-CD1 4.36Å; F438-V490 HydrophobicContact CE2-CB 4.5Å; F438-V490 HydrophobicContact CE2-CG2 4.26Å; F438-V490 HydrophobicContact CZ-CB 3.87Å; F438-V490 HydrophobicContact CZ-CG2 3.64Å; F438-W495 WeakPolarHBondContact O-CA 3.09Å; F438-H496 HydrophobicContact CD1-CB 4.28Å; F438-H496 HydrophobicContact CE1-CB 3.8Å; F438-H496 HydrophobicContact CZ-CB 4.13Å; F438-H496 PolarHBondContact N-O 2.89Å; F438-H496 PolarHBondContact O-N 2Å; F438-V498 HydrophobicContact CD1-CG2 3.88Å; F438-V498 HydrophobicContact CE1-CG2 3.59Å; F438-F558 HydrophobicContact CB-CZ 4.09Å; F438-F558 AromaticContact CD2-CE2 3.83Å; F438-F558 HydrophobicContact CD2-CE2 3.83Å; F438-F558 HydrophobicContact CD2-CZ 4.07Å; F438-C561 CarbonylContact C-O 3.53Å; F438-C561 WeakPolarHBondContact CA-O 3.49Å; F438-C561 WeakPolarHBondContact CB-O 3.48Å; F438-I562 HydrophobicContact CB-CG1 4.29Å
439	R	93.9	Very high	90.9	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.06	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139	167.9	61.2	170.4	-168.3	178.2	4	110.7	H494 W495 G560 C561 C590 Y591 D592 W612	R439-H494 WeakPolarHBondContact CA-O 3.17Å; R439-H494 VanDerWaalsContact CB-C 3.48Å; R439-H494 WeakPolarHBondContact CB-O 3.33Å; R439-W495 HydrophobicContact CB-CD2 4.12Å; R439-W495 HydrophobicContact CB-CE3 4.08Å; R439-W495 HydrophobicContact CB-CG 4.46Å; R439-W495 VanDerWaalsContact CD-CE2 3.48Å; R439-W495 HydrophobicContact CG-CD2 3.82Å; R439-W495 HydrophobicContact CG-CE3 3.88Å; R439-W495 HydrophobicContact CG-CG 4.46Å; R439-W495 HydrophobicContact CG-CH2 4.04Å; R439-W495 HydrophobicContact CG-CZ2 3.97Å; R439-W495 HydrophobicContact CG-CZ3 3.98Å; R439-G560 WeakPolarHBondContact O-CA 3.47Å; R439-C561 HydrophobicContact CG-CB 3.91Å; R439-C561 PolarHBondContact N-O 3.31Å; R439-C561 PolarHBondContact O-N 2.79Å; R439-C590 VanDerWaalsContact CZ-SG 3.59Å; R439-C590 PolarHBondContact NE-SG 2.81Å; R439-C590 PolarHBondContact NH2-SG 3.48Å; R439-Y591 PolarHBondContact NH2-O 2.87Å; R439-D592 IonicContact CZ-OD1 3.76Å; R439-D592 IonicContact NH1-OD1 3.73Å; R439-D592 PolarHBondContact NH1-OD1 2.77Å; R439-D592 IonicContact NH2-OD1 3.15Å; R439-D592 PolarHBondContact NH2-OD1 2.97Å; R439-D592 VanDerWaalsContact NH2-OD1 3.14Å; R439-W612 HydrophobicContact CB-CH2 4.05Å; R439-W612 HydrophobicContact CB-CZ3 4.45Å; R439-W612 HydrophobicContact CG-CH2 3.39Å; R439-W612 HydrophobicContact CG-CZ2 3.91Å; R439-W612 HydrophobicContact CG-CZ3 4.24Å
440	T	93.2	Very high	91.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.			trans	-160.1	161.2	-177.4	-174.4	0	0	0	0	111.4	F438 E442 M465 N491 G493 F558 I559 W612	F438-T440 HydrophobicContact CD2-CG2 4.14Å; F438-T440 HydrophobicContact CE2-CG2 4.04Å; T440-E442 PolarHBondContact OG1-N 2.82Å; T440-M465 HydrophobicContact CG2-CE 3.42Å; T440-M465 VanDerWaalsContact CG2-CE 3.42Å; T440-M465 HydrophobicContact CG2-SD 3.64Å; T440-N491 HydrophobicContact CG2-CB 4.33Å; T440-N491 CarbonylContact O-C 3.49Å; T440-N491 VanDerWaalsContact O-CA 3.29Å; T440-N491 WeakPolarHBondContact O-CA 3.41Å; T440-G493 WeakPolarHBondContact O-CA 3.08Å; T440-G493 PolarHBondContact O-N 3.01Å; T440-F558 HydrophobicContact CG2-CE2 3.88Å; T440-F558 HydrophobicContact CG2-CZ 4.48Å; T440-I559 WeakPolarHBondContact CB-O 3.4Å; T440-I559 PolarHBondContact OG1-O 2.88Å; T440-W612 VanDerWaalsContact CA-CZ3 3.49Å
441	K	87.9	Confident	91.3	Very high	60 Å²	60	21.3 Å²	21.3	26%	0.261	11%	0.107	S	C	.	.			trans	-112.1	-6.6	166.2	-71.9	-172.3	175.2	178	0	112.4	N491 E610 W612	K441-N491 WeakPolarHBondContact CA-O 3.45Å; K441-E610 HydrophobicContact CD-CB 4.09Å; K441-E610 IonicContact NZ-OE2 3.36Å; K441-E610 PolarHBondContact NZ-OE2 2.6Å; K441-W612 HydrophobicContact CB-CE3 4.5Å; K441-W612 HydrophobicContact CG-CE3 4.37Å
442	E	90.3	Very high	90.7	Very high	26 Å²	26	19 Å²	19	12%	0.121	9%	0.09	C	C	.	.			trans	-68.9	139.5	176	-64.5	-45.8	135.1	0	0	110.1	T440 N444 M465 N491 I559 S611 W612	T440-E442 PolarHBondContact OG1-N 2.82Å; E442-N444 VanDerWaalsContact C-N 3.29Å; E442-M465 HydrophobicContact CB-CE 4.48Å; E442-M465 WeakPolarHBondContact O-CE 3.24Å; E442-N491 WeakPolarHBondContact O-CB 3.14Å; E442-I559 HydrophobicContact CG-CB 3.76Å; E442-I559 HydrophobicContact CG-CD1 4.44Å; E442-I559 HydrophobicContact CG-CG1 4.45Å; E442-I559 HydrophobicContact CG-CG2 4.44Å; E442-S611 WeakPolarHBondContact OE1-CA 3.46Å; E442-S611 WeakPolarHBondContact OE1-CB 3.33Å; E442-S611 PolarHBondContact OE1-OG 3.35Å; E442-W612 PolarHBondContact OE1-N 3.5Å
443	P	86.4	Confident	89.5	Confident	32 Å²	32	20.8 Å²	20.8	21%	0.208	10%	0.104	C	C	.	.	S	Bend	trans	-74.3	-23.2	176.3	29.4	-34.1	0	0	0	112.5	F466 N467 G468	P443-F466 CarbonylContact O-C 3.59Å; P443-N467 PolarHBondContact O-N 3.13Å; P443-G468 PolarHBondContact O-N 3.11Å
444	N	87.1	Confident	88	Confident	35 Å²	35	24.4 Å²	24.4	19%	0.187	12%	0.119	C	C	.	.			trans	-131.8	146.8	-173	-54.8	-40.8	0	0	0	111.2	E442 M465 F466 N467 T551 Q556	E442-N444 VanDerWaalsContact C-N 3.29Å; N444-M465 CarbonylContact C-O 3.57Å; N444-M465 VanDerWaalsContact CA-O 3.24Å; N444-M465 WeakPolarHBondContact CA-O 3.22Å; N444-F466 WeakPolarHBondContact OD1-CA 3.23Å; N444-N467 PolarHBondContact OD1-N 2.8Å; N444-T551 HydrophobicContact CB-CG2 4.47Å; N444-Q556 PolarHBondContact ND2-OE1 2.86Å
445	G	92.7	Very high	86	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	140	173.1	0	0	0	0	0	113.2	L447 E464 M465 Q556	G445-L447 VanDerWaalsContact O-CD1 3.24Å; G445-L447 WeakPolarHBondContact O-CD1 3.32Å; G445-E464 WeakPolarHBondContact O-CA 3.4Å; G445-M465 PolarHBondContact N-O 2.91Å; G445-M465 PolarHBondContact O-N 3.28Å; G445-Q556 CarbonylContact C-O 3.54Å; G445-Q556 WeakPolarHBondContact CA-O 3.43Å
446	L	95.5	Very high	84.1	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.3	170.5	-177.2	65.2	0	0	0	110.5	E464 G536 L538 V549 T551 A552 Q556 F558	L446-E464 HydrophobicContact CD1-CB 4.2Å; L446-G536 CarbonylContact O-C 3.53Å; L446-G536 VanDerWaalsContact O-CA 3.23Å; L446-G536 WeakPolarHBondContact O-CA 3.34Å; L446-L538 HydrophobicContact CD2-CD1 4.18Å; L446-L538 HydrophobicContact CD2-CG 3.72Å; L446-V549 HydrophobicContact CD1-CG1 3.92Å; L446-T551 WeakPolarHBondContact CB-OG1 3.49Å; L446-A552 HydrophobicContact CD1-CB 4.4Å; L446-A552 HydrophobicContact CD2-CB 3.98Å; L446-Q556 PolarHBondContact N-O 3.17Å; L446-F558 VanDerWaalsContact O-CB 3.27Å; L446-F558 WeakPolarHBondContact O-CB 3.42Å
447	L	96.7	Very high	82.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-44.9	-178.7	-73.7	75.8	0	0	0	111.3	F436 F438 G445 I463 M465 L470 I535 G536 F558	F436-L447 HydrophobicContact CE2-CD2 3.5Å; F436-L447 VanDerWaalsContact CE2-CD2 3.5Å; F436-L447 HydrophobicContact CZ-CD2 3.84Å; F438-L447 HydrophobicContact CB-CD2 4.39Å; F438-L447 HydrophobicContact CD1-CD2 4.04Å; F438-L447 HydrophobicContact CD2-CD2 4.21Å; F438-L447 HydrophobicContact CE1-CD2 4.38Å; F438-L447 HydrophobicContact CG-CD2 3.94Å; G445-L447 VanDerWaalsContact O-CD1 3.24Å; G445-L447 WeakPolarHBondContact O-CD1 3.32Å; L447-I463 HydrophobicContact CB-CG2 4.49Å; L447-I463 PolarHBondContact N-O 2.71Å; L447-M465 HydrophobicContact CD1-CB 3.94Å; L447-L470 HydrophobicContact CD1-CD1 4.32Å; L447-L470 HydrophobicContact CD2-CD1 4.12Å; L447-I535 WeakPolarHBondContact O-CA 3.45Å; L447-I535 WeakPolarHBondContact O-CG2 3.24Å; L447-G536 PolarHBondContact O-N 2.93Å; L447-F558 HydrophobicContact CD1-CD2 3.82Å; L447-F558 HydrophobicContact CD1-CE2 4.38Å; L447-F558 HydrophobicContact CD2-CE2 4.44Å; L447-F558 HydrophobicContact CG-CD2 3.81Å; L447-F558 HydrophobicContact CG-CE2 4.2Å; L447-F558 HydrophobicContact CG-CG 4.3Å
448	L	94.3	Very high	81.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.3	-177.5	175.2	61.9	0	0	0	110.3	V434 V450 F461 A462 I463 M533 Q534 I535 F565	V434-L448 HydrophobicContact CG1-CD2 3.91Å; V434-L448 HydrophobicContact CG2-CD2 4.23Å; L448-V450 HydrophobicContact CD1-CG2 3.9Å; L448-V450 HydrophobicContact CG-CG2 4.19Å; L448-F461 HydrophobicContact CD2-CD1 4.16Å; L448-F461 HydrophobicContact CD2-CE1 3.9Å; L448-A462 CarbonylContact O-C 3.53Å; L448-A462 VanDerWaalsContact O-CA 3.23Å; L448-A462 WeakPolarHBondContact O-CA 3.5Å; L448-I463 HydrophobicContact CB-CB 4.19Å; L448-I463 HydrophobicContact CB-CD1 4.33Å; L448-I463 HydrophobicContact CB-CG1 4.38Å; L448-I463 HydrophobicContact CD2-CD1 3.94Å; L448-I463 HydrophobicContact CD2-CG1 4.44Å; L448-I463 PolarHBondContact N-O 3.42Å; L448-I463 PolarHBondContact O-N 3.24Å; L448-M533 HydrophobicContact CD1-CE 3.23Å; L448-M533 HydrophobicContact CD1-CG 3.56Å; L448-M533 HydrophobicContact CD1-SD 4.09Å; L448-M533 HydrophobicContact CD2-CE 4.45Å; L448-M533 HydrophobicContact CG-CE 4.47Å; L448-Q534 WeakPolarHBondContact CA-O 3.28Å; L448-I535 HydrophobicContact CD1-CG1 4.3Å; L448-F565 HydrophobicContact CD1-CZ 4.23Å; L448-F565 HydrophobicContact CD2-CZ 4.23Å
449	Y	91.7	Very high	80.6	Confident	13 Å²	13	37 Å²	37	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.6	166	-171.3	-90.9	0	0	0	110.2	F460 A462 M533 Q534 L538 V549	Y449-F460 HydrophobicContact CE2-CB 4.46Å; Y449-F460 HydrophobicContact CE2-CD2 4.36Å; Y449-A462 HydrophobicContact CD2-CB 3.88Å; Y449-A462 HydrophobicContact CE2-CB 4.5Å; Y449-M533 WeakPolarHBondContact O-CA 3.29Å; Y449-Q534 PolarHBondContact N-O 3.14Å; Y449-Q534 PolarHBondContact O-N 2.87Å; Y449-Q534 PolarHBondContact O-OE1 3.31Å; Y449-L538 HydrophobicContact CD1-CD1 4.28Å; Y449-L538 HydrophobicContact CD1-CD2 3.77Å; Y449-L538 HydrophobicContact CD2-CD1 4.41Å; Y449-L538 HydrophobicContact CG-CD1 4.22Å; Y449-L538 HydrophobicContact CG-CD2 4.01Å; Y449-V549 HydrophobicContact CD2-CG1 4.41Å; Y449-V549 HydrophobicContact CE2-CG2 4.17Å
450	V	89.5	Confident	80.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	111.4	176.3	179.5	0	0	0	0	106.2	W426 L448 F460 F461 L527 A531 M533	W426-V450 HydrophobicContact CE3-CB 4.3Å; W426-V450 HydrophobicContact CE3-CG1 3.92Å; W426-V450 HydrophobicContact CE3-CG2 3.75Å; W426-V450 HydrophobicContact CZ3-CB 4.15Å; W426-V450 HydrophobicContact CZ3-CG1 4.08Å; W426-V450 HydrophobicContact CZ3-CG2 3.78Å; L448-V450 HydrophobicContact CD1-CG2 3.9Å; L448-V450 HydrophobicContact CG-CG2 4.19Å; V450-F460 CarbonylContact O-C 3.54Å; V450-F460 WeakPolarHBondContact O-CA 3.25Å; V450-F460 WeakPolarHBondContact O-CB 2.86Å; V450-F461 HydrophobicContact CB-CB 4.27Å; V450-F461 PolarHBondContact N-O 3.42Å; V450-F461 PolarHBondContact O-N 2.62Å; V450-L527 HydrophobicContact CG1-CD2 4.44Å; V450-A531 HydrophobicContact CG1-CB 3.57Å; V450-M533 HydrophobicContact CG2-CB 4.09Å; V450-M533 HydrophobicContact CG2-CG 3.87Å
451	G	82.8	Confident	80.3	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	173.9	-175.9	0	0	0	0	0	111.1	S529 A531 F532	G451-S529 CarbonylContact C-O 3.4Å; G451-A531 WeakPolarHBondContact O-CA 3.41Å; G451-F532 PolarHBondContact O-N 3.25Å
452	P	72.4	Confident	80.5	Confident	16 Å²	16	33.7 Å²	33.7	10%	0.104	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.3	-173	26.9	-32.4	0	0	0	112	K454 S457 N459 S529	P452-K454 WeakPolarHBondContact CB-O 3.41Å; P452-K454 PolarHBondContact O-N 3.43Å; P452-S457 WeakPolarHBondContact CG-O 3.32Å; P452-S457 WeakPolarHBondContact CG-OG 3.24Å; P452-N459 WeakPolarHBondContact CD-O 3.5Å; P452-S529 WeakPolarHBondContact CA-O 3.25Å; P452-S529 VanDerWaalsContact CB-O 3.25Å; P452-S529 WeakPolarHBondContact CB-O 3.29Å
453	A	61.3	Low	80.8	Confident	43 Å²	43	32.5 Å²	32.5	36%	0.355	20%	0.195	S	C	.	.	S	Bend	trans	-75.6	-13.9	169.1	0	0	0	0	0	113.3	F532	A453-F532 HydrophobicContact CB-CD2 3.25Å; A453-F532 HydrophobicContact CB-CE2 3.23Å; A453-F532 HydrophobicContact CB-CG 4.4Å; A453-F532 HydrophobicContact CB-CZ 4.37Å
454	K	58.1	Low	81.2	Confident	153 Å²	153	31 Å²	31	67%	0.665	19%	0.185	S	C	*	.	S	Bend	trans	-132.1	156.5	-175.5	-68.9	-177.8	-177.6	172.7	0	111.5	P452 S456	P452-K454 WeakPolarHBondContact CB-O 3.41Å; P452-K454 PolarHBondContact O-N 3.43Å; K454-S456 PolarHBondContact O-N 2.86Å
455	M	51.2	Low	81.6	Confident	165 Å²	165	29.3 Å²	29.3	81%	0.813	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	19	-160.3	-157.3	137.9	93.3	0	0	117.3	N544	M455-N544 WeakPolarHBondContact CA-ND2 3.39Å; M455-N544 VanDerWaalsContact CG-ND2 3.31Å; M455-N544 WeakPolarHBondContact CG-ND2 3.39Å
456	S	54.2	Low	81.3	Confident	106 Å²	106	30.8 Å²	30.8	74%	0.741	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-16.7	-164.9	53.9	0	0	0	0	116.7	K454	K454-S456 PolarHBondContact O-N 2.86Å
457	S	59.3	Low	80.5	Confident	31 Å²	31	34 Å²	34	22%	0.217	20%	0.2	C	C	.	.			trans	-126.3	141.8	172.5	72	0	0	0	0	111.6	P452 D528	P452-S457 WeakPolarHBondContact CG-O 3.32Å; P452-S457 WeakPolarHBondContact CG-OG 3.24Å; S457-D528 PolarHBondContact OG-O 2.71Å
458	G	68.9	Low	80.1	Confident	57 Å²	57	34 Å²	34	59%	0.588	20%	0.2	S	C	*	.			trans	-87.1	7.3	169.4	0	0	0	0	0	112	F460	G458-F460 WeakPolarHBondContact O-CD1 3.08Å
459	N	85.5	Confident	80	Confident	19 Å²	19	36 Å²	36	10%	0.102	21%	0.209	C	C	.	.			trans	-81.7	128	-170.6	-63.8	-0.7	0	0	0	109.7	P452 D475 L476 G477 L527 D528	P452-N459 WeakPolarHBondContact CD-O 3.5Å; N459-D475 CarbonylContact C-O 3.53Å; N459-D475 WeakPolarHBondContact CA-O 3.36Å; N459-L476 VanDerWaalsContact OD1-C 3.27Å; N459-G477 WeakPolarHBondContact OD1-CA 3.33Å; N459-G477 PolarHBondContact OD1-N 2.86Å; N459-L527 HydrophobicContact CB-CD1 4.17Å; N459-D528 WeakPolarHBondContact CB-O 3.25Å; N459-D528 PolarHBondContact ND2-O 2.86Å
460	F	88.5	Confident	80.1	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.6	178.5	71.6	-85.6	0	0	0	111.5	Y449 V450 G458 A462 S473 I474 D475 T480 S546 V549	Y449-F460 HydrophobicContact CE2-CB 4.46Å; Y449-F460 HydrophobicContact CE2-CD2 4.36Å; V450-F460 CarbonylContact O-C 3.54Å; V450-F460 WeakPolarHBondContact O-CA 3.25Å; V450-F460 WeakPolarHBondContact O-CB 2.86Å; G458-F460 WeakPolarHBondContact O-CD1 3.08Å; F460-A462 HydrophobicContact CD2-CB 4.15Å; F460-A462 HydrophobicContact CE2-CB 4.36Å; F460-S473 WeakPolarHBondContact CE2-O 3.06Å; F460-I474 WeakPolarHBondContact O-CA 3.48Å; F460-D475 HydrophobicContact CD1-CB 3.77Å; F460-D475 HydrophobicContact CE1-CB 3.52Å; F460-D475 HydrophobicContact CZ-CB 4.31Å; F460-D475 PolarHBondContact N-O 2.74Å; F460-D475 PolarHBondContact O-N 2.67Å; F460-T480 HydrophobicContact CE1-CG2 4.27Å; F460-T480 HydrophobicContact CZ-CG2 3.64Å; F460-S546 WeakPolarHBondContact CE1-OG 3.31Å; F460-S546 VanDerWaalsContact CZ-OG 3.3Å; F460-S546 WeakPolarHBondContact CZ-OG 3.48Å; F460-V549 HydrophobicContact CD2-CG2 3.82Å; F460-V549 HydrophobicContact CE2-CG2 3.3Å; F460-V549 HydrophobicContact CZ-CG2 3.98Å
461	F	91.9	Very high	80.3	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.8	171.4	179.7	-76.3	0	0	0	107.8	W426 V434 L448 V450 I463 L472 S473 I474 I500 L527	W426-F461 HydrophobicContact CH2-CD1 4.13Å; W426-F461 HydrophobicContact CH2-CD2 4.25Å; W426-F461 HydrophobicContact CH2-CE1 4.28Å; W426-F461 HydrophobicContact CH2-CE2 4.38Å; W426-F461 HydrophobicContact CH2-CG 4.13Å; W426-F461 HydrophobicContact CH2-CZ 4.41Å; W426-F461 HydrophobicContact CZ3-CB 4.46Å; W426-F461 HydrophobicContact CZ3-CD1 4.02Å; W426-F461 HydrophobicContact CZ3-CE1 4.48Å; W426-F461 HydrophobicContact CZ3-CG 4.18Å; V434-F461 HydrophobicContact CG2-CE1 4.42Å; L448-F461 HydrophobicContact CD2-CD1 4.16Å; L448-F461 HydrophobicContact CD2-CE1 3.9Å; V450-F461 HydrophobicContact CB-CB 4.27Å; V450-F461 PolarHBondContact N-O 3.42Å; V450-F461 PolarHBondContact O-N 2.62Å; F461-I463 HydrophobicContact CE1-CD1 3.98Å; F461-I463 HydrophobicContact CE1-CG1 3.89Å; F461-I463 HydrophobicContact CZ-CD1 4.48Å; F461-I463 HydrophobicContact CZ-CG1 4.48Å; F461-L472 HydrophobicContact CD2-CD1 4.36Å; F461-L472 HydrophobicContact CE1-CD1 4.16Å; F461-L472 HydrophobicContact CE2-CD1 3.74Å; F461-L472 HydrophobicContact CZ-CD1 3.62Å; F461-S473 CarbonylContact C-O 3.58Å; F461-S473 WeakPolarHBondContact CA-O 3.02Å; F461-I474 HydrophobicContact CD2-CD1 3.62Å; F461-I474 HydrophobicContact CD2-CG1 3.57Å; F461-I474 HydrophobicContact CD2-CG2 4.43Å; F461-I474 HydrophobicContact CE2-CD1 3.54Å; F461-I474 HydrophobicContact CE2-CG1 3.92Å; F461-I474 HydrophobicContact CG-CG1 4.36Å; F461-I500 HydrophobicContact CZ-CD1 4.45Å; F461-I500 HydrophobicContact CZ-CG2 4.18Å; F461-L527 HydrophobicContact CB-CD2 3.66Å
462	A	92.6	Very high	80.8	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.4	-178	0	0	0	0	0	111.6	L448 Y449 F460 S473 V549	L448-A462 CarbonylContact O-C 3.53Å; L448-A462 VanDerWaalsContact O-CA 3.23Å; L448-A462 WeakPolarHBondContact O-CA 3.5Å; Y449-A462 HydrophobicContact CD2-CB 3.88Å; Y449-A462 HydrophobicContact CE2-CB 4.5Å; F460-A462 HydrophobicContact CD2-CB 4.15Å; F460-A462 HydrophobicContact CE2-CB 4.36Å; A462-S473 PolarHBondContact N-O 3.11Å; A462-S473 PolarHBondContact O-N 3.31Å; A462-V549 HydrophobicContact CB-CB 4.47Å; A462-V549 HydrophobicContact CB-CG1 3.85Å; A462-V549 HydrophobicContact CB-CG2 3.69Å
463	I	96.6	Very high	81.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.2	169.3	-53.5	169.7	0	0	0	106.9	V434 F436 L447 L448 F461 L470 Y471 L472 I500	V434-I463 HydrophobicContact CG1-CD1 4.27Å; F436-I463 HydrophobicContact CE1-CD1 3.68Å; F436-I463 HydrophobicContact CZ-CD1 4.13Å; F436-I463 HydrophobicContact CZ-CG2 4.21Å; L447-I463 HydrophobicContact CB-CG2 4.49Å; L447-I463 PolarHBondContact N-O 2.71Å; L448-I463 HydrophobicContact CB-CB 4.19Å; L448-I463 HydrophobicContact CB-CD1 4.33Å; L448-I463 HydrophobicContact CB-CG1 4.38Å; L448-I463 HydrophobicContact CD2-CD1 3.94Å; L448-I463 HydrophobicContact CD2-CG1 4.44Å; L448-I463 PolarHBondContact N-O 3.42Å; L448-I463 PolarHBondContact O-N 3.24Å; F461-I463 HydrophobicContact CE1-CD1 3.98Å; F461-I463 HydrophobicContact CE1-CG1 3.89Å; F461-I463 HydrophobicContact CZ-CD1 4.48Å; F461-I463 HydrophobicContact CZ-CG1 4.48Å; I463-L470 HydrophobicContact CG2-CD1 3.81Å; I463-L470 HydrophobicContact CG2-CD2 4.33Å; I463-L470 HydrophobicContact CG2-CG 4.05Å; I463-Y471 WeakPolarHBondContact CA-O 3.34Å; I463-L472 HydrophobicContact CG1-CD1 4.27Å; I463-I500 HydrophobicContact CD1-CD1 3.56Å; I463-I500 HydrophobicContact CG1-CD1 3.96Å
464	E	95	Very high	83.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.3	179.1	63.7	176	-164.8	0	0	111.3	G445 L446 L470 Y471 R482 V549 W550 T551	G445-E464 WeakPolarHBondContact O-CA 3.4Å; L446-E464 HydrophobicContact CD1-CB 4.2Å; E464-L470 CarbonylContact O-C 3.51Å; E464-Y471 PolarHBondContact N-O 2.74Å; E464-Y471 PolarHBondContact O-N 2.93Å; E464-R482 IonicContact OE1-CZ 2.99Å; E464-R482 IonicContact OE1-NH1 3.7Å; E464-R482 PolarHBondContact OE1-NH1 2.53Å; E464-R482 IonicContact OE1-NH2 2.77Å; E464-R482 PolarHBondContact OE1-NH2 3.2Å; E464-V549 WeakPolarHBondContact OE2-CG1 3.45Å; E464-W550 PolarHBondContact OE1-N 2.95Å; E464-W550 VanDerWaalsContact OE1-N 3.11Å; E464-W550 PolarHBondContact OE2-N 3.06Å; E464-W550 VanDerWaalsContact OE2-N 3.13Å; E464-T551 HydrophobicContact CB-CG2 3.96Å; E464-T551 VanDerWaalsContact CB-OG1 3.25Å; E464-T551 WeakPolarHBondContact CB-OG1 3.48Å; E464-T551 HydrophobicContact CG-CG2 4.38Å; E464-T551 WeakPolarHBondContact OE2-CB 3.48Å; E464-T551 PolarHBondContact OE2-N 3.32Å; E464-T551 PolarHBondContact OE2-OG1 3.47Å
465	M	95.1	Very high	84.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.7	169.8	-176.5	-178.8	57.7	0	0	108.3	F438 T440 E442 N444 G445 L447 H469 L470 V490 N491 T551	F438-M465 HydrophobicContact CE2-SD 4.31Å; T440-M465 HydrophobicContact CG2-CE 3.42Å; T440-M465 VanDerWaalsContact CG2-CE 3.42Å; T440-M465 HydrophobicContact CG2-SD 3.64Å; E442-M465 HydrophobicContact CB-CE 4.48Å; E442-M465 WeakPolarHBondContact O-CE 3.24Å; N444-M465 CarbonylContact C-O 3.57Å; N444-M465 VanDerWaalsContact CA-O 3.24Å; N444-M465 WeakPolarHBondContact CA-O 3.22Å; G445-M465 PolarHBondContact N-O 2.91Å; G445-M465 PolarHBondContact O-N 3.28Å; L447-M465 HydrophobicContact CD1-CB 3.94Å; M465-H469 CarbonylContact C-O 3.53Å; M465-H469 VanDerWaalsContact CA-O 3.25Å; M465-H469 WeakPolarHBondContact CA-O 2.97Å; M465-L470 HydrophobicContact CB-CD1 4.42Å; M465-V490 HydrophobicContact SD-CG2 4.38Å; M465-N491 HydrophobicContact SD-CB 3.92Å; M465-T551 WeakPolarHBondContact O-CG2 3.34Å
466	F	85.9	Confident	86.4	Confident	31 Å²	31	19.2 Å²	19.2	14%	0.136	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	127	179.4	-170.7	-93	0	0	0	109.9	P443 N444 G468 H469 Y471 W550 T551 L554	P443-F466 CarbonylContact O-C 3.59Å; N444-F466 WeakPolarHBondContact OD1-CA 3.23Å; F466-G468 PolarHBondContact O-N 2.85Å; F466-H469 PolarHBondContact N-O 2.72Å; F466-H469 PolarHBondContact O-N 3.15Å; F466-Y471 HydrophobicContact CB-CD2 4.05Å; F466-Y471 HydrophobicContact CB-CE2 4.06Å; F466-W550 HydrophobicContact CB-CE3 4.34Å; F466-W550 AromaticContact CD1-CE3 3.46Å; F466-W550 HydrophobicContact CD1-CE3 3.46Å; F466-W550 VanDerWaalsContact CD1-CE3 3.46Å; F466-W550 AromaticContact CD1-CZ3 3.56Å; F466-W550 HydrophobicContact CD1-CZ3 3.56Å; F466-W550 HydrophobicContact CD2-CB 4.17Å; F466-W550 AromaticContact CD2-CE3 3.89Å; F466-W550 HydrophobicContact CD2-CE3 3.89Å; F466-W550 AromaticContact CE1-CE3 3.55Å; F466-W550 HydrophobicContact CE1-CE3 3.55Å; F466-W550 AromaticContact CE1-CZ3 3.66Å; F466-W550 HydrophobicContact CE1-CZ3 3.66Å; F466-W550 HydrophobicContact CE2-CB 4.16Å; F466-W550 AromaticContact CE2-CE3 3.98Å; F466-W550 HydrophobicContact CE2-CE3 3.98Å; F466-W550 AromaticContact CG-CE3 3.63Å; F466-W550 HydrophobicContact CG-CE3 3.63Å; F466-W550 HydrophobicContact CG-CZ3 4.15Å; F466-W550 AromaticContact CZ-CE3 3.81Å; F466-W550 HydrophobicContact CZ-CE3 3.81Å; F466-W550 HydrophobicContact CZ-CZ3 4.33Å; F466-T551 HydrophobicContact CD2-CG2 4.24Å; F466-L554 HydrophobicContact CE2-CD1 4.03Å
467	N	80.5	Confident	87.8	Confident	71 Å²	71	16.3 Å²	16.3	38%	0.38	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	39.3	-171.6	-74.5	-14.1	0	0	0	113.3	P443 N444 H469 Q662	P443-N467 PolarHBondContact O-N 3.13Å; N444-N467 PolarHBondContact OD1-N 2.8Å; N467-H469 VanDerWaalsContact C-N 3.25Å; N467-H469 PolarHBondContact O-N 2.85Å; N467-Q662 PolarHBondContact ND2-NE2 2.84Å
468	G	87.3	Confident	89	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-5.7	179.5	0	0	0	0	0	115	P443 F466 P489 V490 N491	P443-G468 PolarHBondContact O-N 3.11Å; F466-G468 PolarHBondContact O-N 2.85Å; G468-P489 CarbonylContact O-C 3.55Å; G468-P489 WeakPolarHBondContact O-CA 3.22Å; G468-V490 VanDerWaalsContact O-CG2 3.27Å; G468-V490 WeakPolarHBondContact O-CG2 3.32Å; G468-V490 PolarHBondContact O-N 2.86Å; G468-N491 VanDerWaalsContact CA-OD1 3.26Å; G468-N491 WeakPolarHBondContact CA-OD1 3.4Å
469	H	91.3	Very high	89.5	Confident	42 Å²	42	16 Å²	16	19%	0.194	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.1	179	-68.1	-69.9	0	0	0	111.7	M465 F466 N467 Y471 Q484 D486	M465-H469 CarbonylContact C-O 3.53Å; M465-H469 VanDerWaalsContact CA-O 3.25Å; M465-H469 WeakPolarHBondContact CA-O 2.97Å; F466-H469 PolarHBondContact N-O 2.72Å; F466-H469 PolarHBondContact O-N 3.15Å; N467-H469 VanDerWaalsContact C-N 3.25Å; N467-H469 PolarHBondContact O-N 2.85Å; H469-Y471 HydrophobicContact CB-CE2 3.82Å; H469-Y471 WeakPolarHBondContact O-CD2 3.13Å; H469-Q484 HydrophobicContact CB-CG 4.32Å; H469-Q484 PolarHBondContact ND1-NE2 2.82Å; H469-Q484 VanDerWaalsContact ND1-NE2 3.19Å; H469-D486 IonicContact CE1-OD2 2.98Å; H469-D486 IonicContact CG-OD2 2.66Å; H469-D486 IonicContact ND1-OD2 2.82Å; H469-D486 PolarHBondContact ND1-OD2 2.78Å
470	L	95.3	Very high	89.4	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.7	179.8	-161.7	71.9	0	0	0	110.6	F438 L447 I463 E464 M465 Q484 L485 D486 V490 V498 V511	F438-L470 HydrophobicContact CE1-CD1 4.48Å; F438-L470 HydrophobicContact CE1-CD2 4.5Å; F438-L470 HydrophobicContact CZ-CD1 4.36Å; L447-L470 HydrophobicContact CD1-CD1 4.32Å; L447-L470 HydrophobicContact CD2-CD1 4.12Å; I463-L470 HydrophobicContact CG2-CD1 3.81Å; I463-L470 HydrophobicContact CG2-CD2 4.33Å; I463-L470 HydrophobicContact CG2-CG 4.05Å; E464-L470 CarbonylContact O-C 3.51Å; M465-L470 HydrophobicContact CB-CD1 4.42Å; L470-Q484 CarbonylContact O-C 3.28Å; L470-Q484 WeakPolarHBondContact O-CA 3.06Å; L470-L485 HydrophobicContact CB-CB 4.48Å; L470-L485 HydrophobicContact CD2-CB 4.44Å; L470-L485 HydrophobicContact CD2-CD1 4.09Å; L470-L485 HydrophobicContact CG-CD1 4.47Å; L470-L485 PolarHBondContact O-N 3.08Å; L470-D486 WeakPolarHBondContact CA-OD1 3.49Å; L470-D486 PolarHBondContact N-OD1 2.9Å; L470-V490 HydrophobicContact CB-CG2 4.22Å; L470-V498 HydrophobicContact CD2-CB 4.48Å; L470-V498 HydrophobicContact CD2-CG1 3.98Å; L470-V498 HydrophobicContact CD2-CG2 3.61Å; L470-V511 HydrophobicContact CD2-CG2 3.85Å
471	Y	92.6	Very high	89.3	Confident	16 Å²	16	18.8 Å²	18.8	6%	0.063	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134	179.3	-69	-87.5	0	0	0	111.5	I463 E464 F466 H469 R482 L483 Q484	I463-Y471 WeakPolarHBondContact CA-O 3.34Å; E464-Y471 PolarHBondContact N-O 2.74Å; E464-Y471 PolarHBondContact O-N 2.93Å; F466-Y471 HydrophobicContact CB-CD2 4.05Å; F466-Y471 HydrophobicContact CB-CE2 4.06Å; H469-Y471 HydrophobicContact CB-CE2 3.82Å; H469-Y471 WeakPolarHBondContact O-CD2 3.13Å; Y471-R482 HydrophobicContact CD1-CG 4.19Å; Y471-L483 CarbonylContact C-O 3.53Å; Y471-L483 VanDerWaalsContact CA-O 3.29Å; Y471-L483 WeakPolarHBondContact CA-O 3.27Å; Y471-Q484 HydrophobicContact CD1-CB 4.09Å; Y471-Q484 HydrophobicContact CE1-CB 3.69Å; Y471-Q484 HydrophobicContact CE1-CG 4.25Å; Y471-Q484 PolarHBondContact OH-OE1 3.13Å
472	L	94.6	Very high	89.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.1	164.7	178.1	58	0	0	0	109.2	F461 I463 I474 R482 L483 L485 I500 F518	F461-L472 HydrophobicContact CD2-CD1 4.36Å; F461-L472 HydrophobicContact CE1-CD1 4.16Å; F461-L472 HydrophobicContact CE2-CD1 3.74Å; F461-L472 HydrophobicContact CZ-CD1 3.62Å; I463-L472 HydrophobicContact CG1-CD1 4.27Å; L472-I474 HydrophobicContact CD1-CD1 3.78Å; L472-I474 HydrophobicContact CD1-CG1 3.68Å; L472-I474 HydrophobicContact CD2-CD1 3.76Å; L472-I474 HydrophobicContact CD2-CG1 4.36Å; L472-I474 HydrophobicContact CG-CD1 3.78Å; L472-I474 HydrophobicContact CG-CG1 3.82Å; L472-R482 CarbonylContact O-C 3.36Å; L472-R482 WeakPolarHBondContact O-CA 3.14Å; L472-L483 PolarHBondContact N-O 3.23Å; L472-L483 PolarHBondContact O-N 2.86Å; L472-L485 HydrophobicContact CB-CD1 4Å; L472-L485 HydrophobicContact CB-CD2 3.73Å; L472-L485 HydrophobicContact CB-CG 4Å; L472-L485 HydrophobicContact CD2-CD2 4.28Å; L472-I500 HydrophobicContact CD1-CD1 4.07Å; L472-I500 HydrophobicContact CD2-CD1 4.41Å; L472-I500 HydrophobicContact CD2-CG2 4.17Å; L472-F518 HydrophobicContact CD2-CD1 3.98Å; L472-F518 HydrophobicContact CD2-CE1 3.67Å; L472-F518 HydrophobicContact CD2-CE2 4.39Å; L472-F518 HydrophobicContact CD2-CG 4.47Å; L472-F518 HydrophobicContact CD2-CZ 3.89Å
473	S	91	Very high	88.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.6	172.4	-60.3	0	0	0	0	110.4	F460 F461 A462 L481 R482	F460-S473 WeakPolarHBondContact CE2-O 3.06Å; F461-S473 CarbonylContact C-O 3.58Å; F461-S473 WeakPolarHBondContact CA-O 3.02Å; A462-S473 PolarHBondContact N-O 3.11Å; A462-S473 PolarHBondContact O-N 3.31Å; S473-L481 CarbonylContact C-O 3.29Å; S473-L481 VanDerWaalsContact CA-O 3.25Å; S473-L481 WeakPolarHBondContact CA-O 3.36Å; S473-R482 PolarHBondContact OG-NH1 2.8Å
474	I	90.8	Very high	88.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.5	-176.4	-54.1	177	0	0	0	110	F460 F461 L472 L476 T480 L481 F518 T520	F460-I474 WeakPolarHBondContact O-CA 3.48Å; F461-I474 HydrophobicContact CD2-CD1 3.62Å; F461-I474 HydrophobicContact CD2-CG1 3.57Å; F461-I474 HydrophobicContact CD2-CG2 4.43Å; F461-I474 HydrophobicContact CE2-CD1 3.54Å; F461-I474 HydrophobicContact CE2-CG1 3.92Å; F461-I474 HydrophobicContact CG-CG1 4.36Å; L472-I474 HydrophobicContact CD1-CD1 3.78Å; L472-I474 HydrophobicContact CD1-CG1 3.68Å; L472-I474 HydrophobicContact CD2-CD1 3.76Å; L472-I474 HydrophobicContact CD2-CG1 4.36Å; L472-I474 HydrophobicContact CG-CD1 3.78Å; L472-I474 HydrophobicContact CG-CG1 3.82Å; I474-L476 HydrophobicContact CG2-CD2 3.87Å; I474-L476 HydrophobicContact CG2-CG 4.21Å; I474-T480 CarbonylContact O-C 3.44Å; I474-T480 WeakPolarHBondContact O-CA 3.22Å; I474-L481 PolarHBondContact N-O 2.95Å; I474-L481 PolarHBondContact O-N 2.01Å; I474-F518 HydrophobicContact CD1-CE2 3.76Å; I474-F518 HydrophobicContact CD1-CZ 4.07Å; I474-T520 HydrophobicContact CB-CG2 4.25Å; I474-T520 HydrophobicContact CG2-CG2 3.97Å
475	D	88.6	Confident	88.6	Confident	19 Å²	19	26.3 Å²	26.3	10%	0.102	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.1	165.6	-157.6	-36.9	0	0	0	109.9	N459 F460 G477 S478 G479 T480	N459-D475 CarbonylContact C-O 3.53Å; N459-D475 WeakPolarHBondContact CA-O 3.36Å; F460-D475 HydrophobicContact CD1-CB 3.77Å; F460-D475 HydrophobicContact CE1-CB 3.52Å; F460-D475 HydrophobicContact CZ-CB 4.31Å; F460-D475 PolarHBondContact N-O 2.74Å; F460-D475 PolarHBondContact O-N 2.67Å; D475-G477 WeakPolarHBondContact OD1-CA 3.34Å; D475-G477 PolarHBondContact OD1-N 3.34Å; D475-S478 PolarHBondContact OD1-N 2.8Å; D475-G479 PolarHBondContact OD1-N 2.9Å; D475-G479 WeakPolarHBondContact OD2-CA 2.95Å; D475-T480 PolarHBondContact OD2-N 3.38Å; D475-T480 VanDerWaalsContact OD2-N 3.08Å; D475-T480 PolarHBondContact OD2-OG1 2.96Å
476	L	89.1	Confident	88.4	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	-98.9	3	176.5	-56.5	-176.2	0	0	0	112.4	N459 I474 R505 T520 E524 L527	N459-L476 VanDerWaalsContact OD1-C 3.27Å; I474-L476 HydrophobicContact CG2-CD2 3.87Å; I474-L476 HydrophobicContact CG2-CG 4.21Å; L476-R505 HydrophobicContact CD1-CG 4.42Å; L476-T520 HydrophobicContact CD1-CG2 4.19Å; L476-T520 WeakPolarHBondContact CD1-OG1 3.33Å; L476-T520 HydrophobicContact CG-CG2 4.29Å; L476-E524 HydrophobicContact CB-CB 4.03Å; L476-E524 WeakPolarHBondContact O-CB 3.28Å; L476-L527 HydrophobicContact CD2-CB 3.87Å; L476-L527 HydrophobicContact CD2-CD1 3.89Å; L476-L527 HydrophobicContact CD2-CG 4.49Å
477	G	84.7	Confident	88.5	Confident	45 Å²	45	34.3 Å²	34.3	46%	0.464	18%	0.183	S	C	.	.	S	Bend	trans	114.1	2.7	179.2	0	0	0	0	0	114.3	N459 D475	N459-G477 WeakPolarHBondContact OD1-CA 3.33Å; N459-G477 PolarHBondContact OD1-N 2.86Å; D475-G477 WeakPolarHBondContact OD1-CA 3.34Å; D475-G477 PolarHBondContact OD1-N 3.34Å
478	S	83.6	Confident	89	Confident	52 Å²	52	35.4 Å²	35.4	36%	0.364	19%	0.193	S	C	.	.	S	Bend	trans	-127.7	23.1	179.9	-62.4	0	0	0	0	113.2	D475	D475-S478 PolarHBondContact OD1-N 2.8Å
479	G	80.1	Confident	89.2	Confident	30 Å²	30	38.5 Å²	38.5	31%	0.309	21%	0.213	S	C	.	.			trans	112.6	155	178.4	0	0	0	0	0	112.4	D475 P521	D475-G479 PolarHBondContact OD1-N 2.9Å; D475-G479 WeakPolarHBondContact OD2-CA 2.95Å; G479-P521 VanDerWaalsContact O-CG 3.24Å; G479-P521 WeakPolarHBondContact O-CG 2.89Å
480	T	83.7	Confident	89.4	Confident	48 Å²	48	36.6 Å²	36.6	29%	0.294	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.3	-172.8	-55.8	0	0	0	0	111.6	F460 I474 D475	F460-T480 HydrophobicContact CE1-CG2 4.27Å; F460-T480 HydrophobicContact CZ-CG2 3.64Å; I474-T480 CarbonylContact O-C 3.44Å; I474-T480 WeakPolarHBondContact O-CA 3.22Å; D475-T480 PolarHBondContact OD2-N 3.38Å; D475-T480 VanDerWaalsContact OD2-N 3.08Å; D475-T480 PolarHBondContact OD2-OG1 2.96Å
481	L	86.4	Confident	89.2	Confident	33 Å²	33	38.6 Å²	38.6	17%	0.173	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.2	159.5	170.9	68.5	0	0	0	108.7	S473 I474 F518 T520	S473-L481 CarbonylContact C-O 3.29Å; S473-L481 VanDerWaalsContact CA-O 3.25Å; S473-L481 WeakPolarHBondContact CA-O 3.36Å; I474-L481 PolarHBondContact N-O 2.95Å; I474-L481 PolarHBondContact O-N 2.01Å; L481-F518 HydrophobicContact CD2-CB 3.84Å; L481-F518 HydrophobicContact CD2-CD2 3.75Å; L481-F518 HydrophobicContact CD2-CG 4.1Å; L481-T520 HydrophobicContact CB-CG2 4.39Å; L481-T520 HydrophobicContact CD2-CG2 4.16Å
482	R	86.7	Confident	89.1	Confident	60 Å²	60	41.2 Å²	41.2	23%	0.226	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.9	167.5	-178.2	-179.4	-178.8	86.3	6	109	E464 Y471 L472 S473 S548	E464-R482 IonicContact OE1-CZ 2.99Å; E464-R482 IonicContact OE1-NH1 3.7Å; E464-R482 PolarHBondContact OE1-NH1 2.53Å; E464-R482 IonicContact OE1-NH2 2.77Å; E464-R482 PolarHBondContact OE1-NH2 3.2Å; Y471-R482 HydrophobicContact CD1-CG 4.19Å; L472-R482 CarbonylContact O-C 3.36Å; L472-R482 WeakPolarHBondContact O-CA 3.14Å; S473-R482 PolarHBondContact OG-NH1 2.8Å; R482-S548 PolarHBondContact NH1-O 2.62Å
483	L	88.4	Confident	88.8	Confident	41 Å²	41	41.8 Å²	41.8	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.6	-170.3	-178.9	66.5	0	0	0	111	Y471 L472 L485 V516 F518	Y471-L483 CarbonylContact C-O 3.53Å; Y471-L483 VanDerWaalsContact CA-O 3.29Å; Y471-L483 WeakPolarHBondContact CA-O 3.27Å; L472-L483 PolarHBondContact N-O 3.23Å; L472-L483 PolarHBondContact O-N 2.86Å; L483-L485 HydrophobicContact CD2-CD2 4.11Å; L483-L485 HydrophobicContact CG-CD2 4.18Å; L483-V516 HydrophobicContact CD1-CG1 4.15Å; L483-V516 HydrophobicContact CD2-CG1 3.74Å; L483-V516 HydrophobicContact CG-CG1 4.19Å; L483-F518 HydrophobicContact CD2-CB 3.56Å; L483-F518 HydrophobicContact CD2-CD1 4.37Å; L483-F518 HydrophobicContact CD2-CG 4.29Å
484	Q	91.2	Very high	88.9	Confident	60 Å²	60	47.6 Å²	47.6	28%	0.28	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.3	169.8	-175	175.3	-26.7	0	0	109.8	H469 L470 Y471 D486	H469-Q484 HydrophobicContact CB-CG 4.32Å; H469-Q484 PolarHBondContact ND1-NE2 2.82Å; H469-Q484 VanDerWaalsContact ND1-NE2 3.19Å; L470-Q484 CarbonylContact O-C 3.28Å; L470-Q484 WeakPolarHBondContact O-CA 3.06Å; Y471-Q484 HydrophobicContact CD1-CB 4.09Å; Y471-Q484 HydrophobicContact CE1-CB 3.69Å; Y471-Q484 HydrophobicContact CE1-CG 4.25Å; Y471-Q484 PolarHBondContact OH-OE1 3.13Å; Q484-D486 WeakPolarHBondContact CG-O 3.05Å; Q484-D486 PolarHBondContact NE2-O 3.02Å
485	L	93.1	Very high	89	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.			trans	-100.6	-11.4	-172.3	-59.3	-168.7	0	0	0	114.3	L470 L472 L483 I500 S509 V511 W514	L470-L485 HydrophobicContact CB-CB 4.48Å; L470-L485 HydrophobicContact CD2-CB 4.44Å; L470-L485 HydrophobicContact CD2-CD1 4.09Å; L470-L485 HydrophobicContact CG-CD1 4.47Å; L470-L485 PolarHBondContact O-N 3.08Å; L472-L485 HydrophobicContact CB-CD1 4Å; L472-L485 HydrophobicContact CB-CD2 3.73Å; L472-L485 HydrophobicContact CB-CG 4Å; L472-L485 HydrophobicContact CD2-CD2 4.28Å; L483-L485 HydrophobicContact CD2-CD2 4.11Å; L483-L485 HydrophobicContact CG-CD2 4.18Å; L485-I500 HydrophobicContact CD1-CD1 3.68Å; L485-I500 HydrophobicContact CD1-CG1 4.29Å; L485-S509 WeakPolarHBondContact CD2-OG 3.03Å; L485-V511 HydrophobicContact CB-CG2 3.61Å; L485-V511 HydrophobicContact CD1-CG2 4.45Å; L485-V511 WeakPolarHBondContact O-CG2 3.41Å; L485-W514 VanDerWaalsContact O-CD1 3.27Å
486	D	91.5	Very high	89.3	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.043	27%	0.273	C	S	.	.			trans	-125.9	161.8	-175.7	64.8	-76.7	0	0	0	111.6	H469 L470 Q484 V490 V511	H469-D486 IonicContact CE1-OD2 2.98Å; H469-D486 IonicContact CG-OD2 2.66Å; H469-D486 IonicContact ND1-OD2 2.82Å; H469-D486 PolarHBondContact ND1-OD2 2.78Å; L470-D486 WeakPolarHBondContact CA-OD1 3.49Å; L470-D486 PolarHBondContact N-OD1 2.9Å; Q484-D486 WeakPolarHBondContact CG-O 3.05Å; Q484-D486 PolarHBondContact NE2-O 3.02Å; D486-V490 HydrophobicContact CB-CG1 4.07Å; D486-V511 HydrophobicContact CB-CB 4.45Å; D486-V511 HydrophobicContact CB-CG1 4.25Å
487	R	88.6	Confident	89.7	Confident	192 Å²	192	51.2 Å²	51.2	73%	0.725	28%	0.28	S	S	*	.	S	Bend	trans	-93.4	-32.6	175.1	-176.2	178.7	176.7	-168.6	-0.8	112.8	W514	R487-W514 HydrophobicContact CB-CD2 4.32Å
488	T	90.7	Very high	90.3	Very high	93 Å²	93	49.1 Å²	49.1	57%	0.571	26%	0.258	S	S	*	.	S	Bend	trans	-128.8	146.5	-173.1	51	0	0	0	0	109.4	V490	T488-V490 PolarHBondContact O-N 2.04Å
489	P	90.9	Very high	90.9	Very high	65 Å²	65	50 Å²	50	42%	0.422	26%	0.259	S	S	.	.			trans	-52.4	138.4	-180	-24.1	32.9	0	0	0	112.7	G468 N491	G468-P489 CarbonylContact O-C 3.55Å; G468-P489 WeakPolarHBondContact O-CA 3.22Å; P489-N491 WeakPolarHBondContact CB-OD1 3.28Å
490	V	95.8	Very high	91.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	25%	0.245	C	C	.	.	S	Bend	trans	-108.4	17.4	-174.4	-67.9	0	0	0	0	112.6	F438 M465 G468 L470 D486 T488 H496 V511	F438-V490 HydrophobicContact CE2-CB 4.5Å; F438-V490 HydrophobicContact CE2-CG2 4.26Å; F438-V490 HydrophobicContact CZ-CB 3.87Å; F438-V490 HydrophobicContact CZ-CG2 3.64Å; M465-V490 HydrophobicContact SD-CG2 4.38Å; G468-V490 VanDerWaalsContact O-CG2 3.27Å; G468-V490 WeakPolarHBondContact O-CG2 3.32Å; G468-V490 PolarHBondContact O-N 2.86Å; L470-V490 HydrophobicContact CB-CG2 4.22Å; D486-V490 HydrophobicContact CB-CG1 4.07Å; T488-V490 PolarHBondContact O-N 2.04Å; V490-H496 PolarHBondContact O-CD2 2.71Å; V490-H496 VanDerWaalsContact O-CD2 3.25Å; V490-V511 HydrophobicContact CG1-CG1 4.15Å
491	N	92.4	Very high	92.1	Very high	42 Å²	42	50.3 Å²	50.3	23%	0.225	25%	0.249	C	C	.	.			trans	-103.8	36.1	177.2	68.5	-49.2	0	0	0	112.4	T440 K441 E442 M465 G468 P489 G493	T440-N491 HydrophobicContact CG2-CB 4.33Å; T440-N491 CarbonylContact O-C 3.49Å; T440-N491 VanDerWaalsContact O-CA 3.29Å; T440-N491 WeakPolarHBondContact O-CA 3.41Å; K441-N491 WeakPolarHBondContact CA-O 3.45Å; E442-N491 WeakPolarHBondContact O-CB 3.14Å; M465-N491 HydrophobicContact SD-CB 3.92Å; G468-N491 VanDerWaalsContact CA-OD1 3.26Å; G468-N491 WeakPolarHBondContact CA-OD1 3.4Å; P489-N491 WeakPolarHBondContact CB-OD1 3.28Å; N491-G493 VanDerWaalsContact C-N 3.34Å
492	D	90.2	Very high	92.4	Very high	71 Å²	71	48.8 Å²	48.8	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-87.7	-3.8	-176.2	69.8	-5.1	0	0	0	113.6	H494 H496	D492-H494 WeakPolarHBondContact OD1-CB 3.44Å; D492-H494 IonicContact OD1-CG 3.78Å; D492-H494 PolarHBondContact OD1-N 3.38Å; D492-H494 IonicContact OD1-ND1 3.9Å; D492-H494 PolarHBondContact OD1-ND1 2.91Å; D492-H494 IonicContact OD2-CE1 2.99Å; D492-H494 IonicContact OD2-CG 3.87Å; D492-H494 IonicContact OD2-ND1 3.81Å; D492-H494 PolarHBondContact OD2-ND1 3.25Å; D492-H496 IonicContact OD1-CD2 3.78Å; D492-H496 IonicContact OD1-NE2 3.38Å; D492-H496 PolarHBondContact OD1-NE2 2.93Å; D492-H496 IonicContact OD2-NE2 3.63Å
493	G	88.6	Confident	92.7	Very high	13 Å²	13	50.2 Å²	50.2	13%	0.134	25%	0.253	C	S	.	.	S	Bend	trans	87.1	0.2	-176.5	0	0	0	0	0	115.4	T440 N491	T440-G493 WeakPolarHBondContact O-CA 3.08Å; T440-G493 PolarHBondContact O-N 3.01Å; N491-G493 VanDerWaalsContact C-N 3.34Å
494	H	91.6	Very high	92.8	Very high	121 Å²	121	49.1 Å²	49.1	56%	0.56	25%	0.25	S	C	*	.	S	Bend	trans	-93.2	164.1	175.7	-56.1	105.4	0	0	0	111.9	R439 D492 H496	R439-H494 WeakPolarHBondContact CA-O 3.17Å; R439-H494 VanDerWaalsContact CB-C 3.48Å; R439-H494 WeakPolarHBondContact CB-O 3.33Å; D492-H494 WeakPolarHBondContact OD1-CB 3.44Å; D492-H494 IonicContact OD1-CG 3.78Å; D492-H494 PolarHBondContact OD1-N 3.38Å; D492-H494 IonicContact OD1-ND1 3.9Å; D492-H494 PolarHBondContact OD1-ND1 2.91Å; D492-H494 IonicContact OD2-CE1 2.99Å; D492-H494 IonicContact OD2-CG 3.87Å; D492-H494 IonicContact OD2-ND1 3.81Å; D492-H494 PolarHBondContact OD2-ND1 3.25Å; H494-H496 PolarHBondContact O-CD2 2.02Å; H494-H496 PolarHBondContact O-N 3.14Å
495	W	93	Very high	92.9	Very high	63 Å²	63	50.5 Å²	50.5	24%	0.239	25%	0.253	C	S	.	.			trans	-76.2	118.2	177.2	-73.5	107.7	0	0	0	110.7	A411 R437 F438 R439 C561 R563 C590	A411-W495 HydrophobicContact CB-CH2 3.96Å; A411-W495 HydrophobicContact CB-CZ2 4.43Å; R437-W495 HydrophobicContact CB-CE3 3.96Å; R437-W495 HydrophobicContact CB-CZ3 4.37Å; F438-W495 WeakPolarHBondContact O-CA 3.09Å; R439-W495 HydrophobicContact CB-CD2 4.12Å; R439-W495 HydrophobicContact CB-CE3 4.08Å; R439-W495 HydrophobicContact CB-CG 4.46Å; R439-W495 VanDerWaalsContact CD-CE2 3.48Å; R439-W495 HydrophobicContact CG-CD2 3.82Å; R439-W495 HydrophobicContact CG-CE3 3.88Å; R439-W495 HydrophobicContact CG-CG 4.46Å; R439-W495 HydrophobicContact CG-CH2 4.04Å; R439-W495 HydrophobicContact CG-CZ2 3.97Å; R439-W495 HydrophobicContact CG-CZ3 3.98Å; W495-C561 HydrophobicContact CH2-CB 3.65Å; W495-C561 HydrophobicContact CZ2-CB 4.33Å; W495-C561 HydrophobicContact CZ3-CB 4.21Å; W495-R563 HydrophobicContact CE3-CG 4.14Å; W495-R563 HydrophobicContact CH2-CB 4.17Å; W495-R563 HydrophobicContact CH2-CG 3.72Å; W495-R563 HydrophobicContact CZ2-CG 4.44Å; W495-R563 HydrophobicContact CZ3-CB 4.29Å; W495-R563 HydrophobicContact CZ3-CG 3.56Å; W495-C590 HydrophobicContact CH2-CB 4.46Å; W495-C590 HydrophobicContact CZ2-CB 4.28Å
496	H	95.9	Very high	92.9	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.1	171.1	-66.7	-75.9	0	0	0	110.4	R437 F438 V490 D492 H494 D512	R437-H496 CarbonylContact C-O 3.12Å; R437-H496 WeakPolarHBondContact CA-O 3.41Å; F438-H496 HydrophobicContact CD1-CB 4.28Å; F438-H496 HydrophobicContact CE1-CB 3.8Å; F438-H496 HydrophobicContact CZ-CB 4.13Å; F438-H496 PolarHBondContact N-O 2.89Å; F438-H496 PolarHBondContact O-N 2Å; V490-H496 PolarHBondContact O-CD2 2.71Å; V490-H496 VanDerWaalsContact O-CD2 3.25Å; D492-H496 IonicContact OD1-CD2 3.78Å; D492-H496 IonicContact OD1-NE2 3.38Å; D492-H496 PolarHBondContact OD1-NE2 2.93Å; D492-H496 IonicContact OD2-NE2 3.63Å; H494-H496 PolarHBondContact O-CD2 2.02Å; H494-H496 PolarHBondContact O-N 3.14Å; H496-D512 VanDerWaalsContact CA-OD1 3.32Å; H496-D512 WeakPolarHBondContact CA-OD1 3.21Å; H496-D512 IonicContact CE1-OD2 3.79Å; H496-D512 IonicContact CG-OD2 3.72Å; H496-D512 IonicContact ND1-OD1 3.78Å; H496-D512 IonicContact ND1-OD2 2.75Å; H496-D512 PolarHBondContact ND1-OD2 2.87Å
497	A	96.3	Very high	93	Very high	21 Å²	21	54.4 Å²	54.4	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.1	178.1	0	0	0	0	0	110.8	R437 V511 D512	R437-A497 HydrophobicContact CG-CB 4.08Å; A497-V511 CarbonylContact O-C 3.57Å; A497-V511 WeakPolarHBondContact O-CA 3.46Å; A497-D512 PolarHBondContact N-OD1 2.85Å; A497-D512 PolarHBondContact O-N 2.82Å
498	V	97.3	Very high	93.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.6	-179.9	-176.9	0	0	0	0	108.4	G435 F436 F438 L470 I500 S510 V511	G435-V498 CarbonylContact C-O 3.43Å; G435-V498 WeakPolarHBondContact CA-O 3.49Å; F436-V498 HydrophobicContact CD2-CB 4.29Å; F436-V498 HydrophobicContact CD2-CG2 4.41Å; F436-V498 HydrophobicContact CE1-CB 4.14Å; F436-V498 HydrophobicContact CE1-CG1 4.05Å; F436-V498 HydrophobicContact CE2-CB 3.87Å; F436-V498 HydrophobicContact CE2-CG1 4.42Å; F436-V498 HydrophobicContact CE2-CG2 3.76Å; F436-V498 HydrophobicContact CZ-CB 3.79Å; F436-V498 HydrophobicContact CZ-CG1 3.84Å; F436-V498 HydrophobicContact CZ-CG2 3.99Å; F436-V498 PolarHBondContact N-O 2.81Å; F436-V498 PolarHBondContact O-N 3.14Å; F438-V498 HydrophobicContact CD1-CG2 3.88Å; F438-V498 HydrophobicContact CE1-CG2 3.59Å; L470-V498 HydrophobicContact CD2-CB 4.48Å; L470-V498 HydrophobicContact CD2-CG1 3.98Å; L470-V498 HydrophobicContact CD2-CG2 3.61Å; V498-I500 HydrophobicContact CG1-CD1 4.28Å; V498-I500 HydrophobicContact CG1-CG1 4.12Å; V498-S510 WeakPolarHBondContact CA-O 3.49Å; V498-V511 HydrophobicContact CG2-CG2 4.49Å
499	N	96.3	Very high	93.5	Very high	72 Å²	72	43.2 Å²	43.2	39%	0.385	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.2	168.2	-53.1	-72	0	0	0	109.4	V434 S509 S510	V434-N499 CarbonylContact O-C 3.51Å; V434-N499 WeakPolarHBondContact O-CA 3.3Å; N499-S509 CarbonylContact O-C 3.58Å; N499-S509 VanDerWaalsContact O-CA 3.27Å; N499-S509 WeakPolarHBondContact O-CA 3.25Å; N499-S510 WeakPolarHBondContact CB-OG 3.42Å; N499-S510 PolarHBondContact N-O 3.29Å; N499-S510 PolarHBondContact ND2-OG 3.33Å; N499-S510 PolarHBondContact O-N 3.1Å
500	I	95.6	Very high	93.7	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.1	178.9	-55.2	-179.3	0	0	0	107.9	Q433 V434 F461 I463 L472 L485 V498 F518	Q433-I500 CarbonylContact C-O 3.49Å; Q433-I500 VanDerWaalsContact CA-O 3.28Å; Q433-I500 WeakPolarHBondContact CA-O 3.08Å; V434-I500 PolarHBondContact N-O 2.98Å; V434-I500 PolarHBondContact O-N 2.9Å; F461-I500 HydrophobicContact CZ-CD1 4.45Å; F461-I500 HydrophobicContact CZ-CG2 4.18Å; I463-I500 HydrophobicContact CD1-CD1 3.56Å; I463-I500 HydrophobicContact CG1-CD1 3.96Å; L472-I500 HydrophobicContact CD1-CD1 4.07Å; L472-I500 HydrophobicContact CD2-CD1 4.41Å; L472-I500 HydrophobicContact CD2-CG2 4.17Å; L485-I500 HydrophobicContact CD1-CD1 3.68Å; L485-I500 HydrophobicContact CD1-CG1 4.29Å; V498-I500 HydrophobicContact CG1-CD1 4.28Å; V498-I500 HydrophobicContact CG1-CG1 4.12Å; I500-F518 HydrophobicContact CG2-CE1 4.09Å; I500-F518 HydrophobicContact CG2-CZ 4.24Å
501	H	93.9	Very high	93.7	Very high	80 Å²	80	41 Å²	41	37%	0.37	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.9	175.9	-179.3	72	0	0	0	109.6	G507 S508	H501-G507 CarbonylContact O-C 3.59Å; H501-G507 WeakPolarHBondContact O-CA 3.37Å; H501-S508 PolarHBondContact N-O 3.02Å; H501-S508 PolarHBondContact O-N 2.93Å
502	R	92.5	Very high	93.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.8	176.3	-172	-175.9	65.6	82.5	1	109.8	G428 G429 I430 S431 G432 A504 F518 R525	G428-R502 PolarHBondContact O-NH2 3.15Å; G429-R502 PolarHBondContact O-NH2 2.9Å; I430-R502 PolarHBondContact O-NH1 3.04Å; S431-R502 CarbonylContact C-O 3.19Å; S431-R502 WeakPolarHBondContact CA-O 3.45Å; S431-R502 WeakPolarHBondContact CB-O 3.46Å; G432-R502 PolarHBondContact N-O 2.92Å; G432-R502 PolarHBondContact O-N 3.07Å; R502-A504 WeakPolarHBondContact CG-O 3.45Å; R502-A504 PolarHBondContact NH1-O 2.81Å; R502-F518 HydrophobicContact CB-CZ 4.33Å; R502-F518 HydrophobicContact CG-CE2 4.31Å; R502-F518 HydrophobicContact CG-CZ 4.43Å; R502-R525 PolarHBondContact NH1-O 3.36Å
503	N	92.3	Very high	93.8	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.3	170.5	-175.1	7.3	0	0	0	109.7	R505 T506	N503-R505 PolarHBondContact O-N 2.04Å; N503-T506 CarbonylContact C-O 3.45Å; N503-T506 PolarHBondContact N-O 2.91Å; N503-T506 PolarHBondContact O-N 3.38Å; N503-T506 VanDerWaalsContact O-N 3.12Å; N503-T506 PolarHBondContact O-OG1 3.48Å
504	A	91.5	Very high	94.1	Very high	19 Å²	19	51.4 Å²	51.4	16%	0.157	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	-118	-170.6	0	0	0	0	0	111.8	I430 R502 R525	I430-A504 HydrophobicContact CG2-CB 4.21Å; I430-A504 WeakPolarHBondContact O-CA 3.25Å; I430-A504 PolarHBondContact O-N 3.4Å; R502-A504 WeakPolarHBondContact CG-O 3.45Å; R502-A504 PolarHBondContact NH1-O 2.81Å; A504-R525 HydrophobicContact CB-CB 4.01Å; A504-R525 HydrophobicContact CB-CG 4.22Å
505	R	92.8	Very high	94.2	Very high	89 Å²	89	52 Å²	52	34%	0.336	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-21.9	178.8	-69.9	-175.8	-56.8	156.3	9.5	113.3	L476 N503 S519 T520 G522 E524 R525	L476-R505 HydrophobicContact CD1-CG 4.42Å; N503-R505 PolarHBondContact O-N 2.04Å; R505-S519 CarbonylContact O-C 3.49Å; R505-S519 VanDerWaalsContact O-CA 3.27Å; R505-S519 WeakPolarHBondContact O-CA 3.33Å; R505-T520 WeakPolarHBondContact CA-OG1 3.49Å; R505-T520 PolarHBondContact O-N 2.79Å; R505-T520 PolarHBondContact O-OG1 2.82Å; R505-G522 WeakPolarHBondContact CD-O 3.38Å; R505-G522 PolarHBondContact NH1-O 2.76Å; R505-E524 WeakPolarHBondContact CD-O 3.44Å; R505-E524 WeakPolarHBondContact CG-O 3.34Å; R505-R525 HydrophobicContact CG-CG 4.25Å
506	T	93.4	Very high	94.2	Very high	77 Å²	77	50.3 Å²	50.3	47%	0.472	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	152.4	-174.4	48.2	0	0	0	0	110.4	N503 F518	N503-T506 CarbonylContact C-O 3.45Å; N503-T506 PolarHBondContact N-O 2.91Å; N503-T506 PolarHBondContact O-N 3.38Å; N503-T506 VanDerWaalsContact O-N 3.12Å; N503-T506 PolarHBondContact O-OG1 3.48Å; T506-F518 CarbonylContact C-O 3.59Å; T506-F518 VanDerWaalsContact CA-O 3.32Å; T506-F518 WeakPolarHBondContact CA-O 3.22Å
507	G	93.2	Very high	94.1	Very high	12 Å²	12	55.7 Å²	55.7	12%	0.124	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	172.5	173.8	0	0	0	0	0	112	H501 D517 F518	H501-G507 CarbonylContact O-C 3.59Å; H501-G507 WeakPolarHBondContact O-CA 3.37Å; G507-D517 WeakPolarHBondContact O-CA 3.19Å; G507-F518 PolarHBondContact N-O 3Å; G507-F518 PolarHBondContact O-N 3.33Å
508	S	94.9	Very high	93.9	Very high	47 Å²	47	55.4 Å²	55.4	33%	0.329	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.2	175.2	61.2	0	0	0	0	109.6	H501 D517	H501-S508 PolarHBondContact N-O 3.02Å; H501-S508 PolarHBondContact O-N 2.93Å; S508-D517 WeakPolarHBondContact CB-OD1 3.43Å
509	S	94.3	Very high	93.7	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149	175.9	60	0	0	0	0	109.7	L485 N499 H515 V516	L485-S509 WeakPolarHBondContact CD2-OG 3.03Å; N499-S509 CarbonylContact O-C 3.58Å; N499-S509 VanDerWaalsContact O-CA 3.27Å; N499-S509 WeakPolarHBondContact O-CA 3.25Å; S509-H515 VanDerWaalsContact O-CA 3.31Å; S509-H515 WeakPolarHBondContact O-CA 3.42Å; S509-V516 PolarHBondContact N-O 2.88Å; S509-V516 PolarHBondContact O-N 2.81Å; S509-V516 PolarHBondContact OG-O 3.44Å
510	S	95	Very high	93.4	Very high	16 Å²	16	55.4 Å²	55.4	11%	0.112	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.3	171.4	68.2	0	0	0	0	109.4	V498 N499 W514 H515	V498-S510 WeakPolarHBondContact CA-O 3.49Å; N499-S510 WeakPolarHBondContact CB-OG 3.42Å; N499-S510 PolarHBondContact N-O 3.29Å; N499-S510 PolarHBondContact ND2-OG 3.33Å; N499-S510 PolarHBondContact O-N 3.1Å; S510-W514 CarbonylContact C-O 3.58Å; S510-W514 VanDerWaalsContact CA-O 3.24Å; S510-W514 WeakPolarHBondContact CA-O 3.27Å; S510-H515 VanDerWaalsContact CB-CE1 3.46Å; S510-H515 WeakPolarHBondContact CB-CE1 3.36Å; S510-H515 WeakPolarHBondContact CB-ND1 3.24Å
511	V	96.3	Very high	92.9	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.4	165.8	-177.9	0	0	0	0	106.7	L470 L485 D486 V490 A497 V498 D513 W514	L470-V511 HydrophobicContact CD2-CG2 3.85Å; L485-V511 HydrophobicContact CB-CG2 3.61Å; L485-V511 HydrophobicContact CD1-CG2 4.45Å; L485-V511 WeakPolarHBondContact O-CG2 3.41Å; D486-V511 HydrophobicContact CB-CB 4.45Å; D486-V511 HydrophobicContact CB-CG1 4.25Å; V490-V511 HydrophobicContact CG1-CG1 4.15Å; A497-V511 CarbonylContact O-C 3.57Å; A497-V511 WeakPolarHBondContact O-CA 3.46Å; V498-V511 HydrophobicContact CG2-CG2 4.49Å; V511-D513 PolarHBondContact O-N 2.83Å; V511-D513 VanDerWaalsContact O-N 3.15Å; V511-W514 PolarHBondContact N-O 3.08Å; V511-W514 WeakPolarHBondContact O-CB 3.31Å; V511-W514 PolarHBondContact O-N 2.9Å
512	D	94.6	Very high	92.5	Very high	66 Å²	66	55.9 Å²	55.9	35%	0.353	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-114.6	-166.9	-51.9	-41.9	0	0	0	110.9	H496 A497	H496-D512 VanDerWaalsContact CA-OD1 3.32Å; H496-D512 WeakPolarHBondContact CA-OD1 3.21Å; H496-D512 IonicContact CE1-OD2 3.79Å; H496-D512 IonicContact CG-OD2 3.72Å; H496-D512 IonicContact ND1-OD1 3.78Å; H496-D512 IonicContact ND1-OD2 2.75Å; H496-D512 PolarHBondContact ND1-OD2 2.87Å; A497-D512 PolarHBondContact N-OD1 2.85Å; A497-D512 PolarHBondContact O-N 2.82Å
513	D	90.8	Very high	92.2	Very high	157 Å²	157	64.2 Å²	64.2	84%	0.84	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.5	179.3	-60.9	-40.5	0	0	0	113.3	V511	V511-D513 PolarHBondContact O-N 2.83Å; V511-D513 VanDerWaalsContact O-N 3.15Å
514	W	93.6	Very high	92	Very high	122 Å²	122	64.6 Å²	64.6	46%	0.462	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.8	-177.5	-175.1	-97.7	0	0	0	111.7	L485 R487 S510 V511 V516	L485-W514 VanDerWaalsContact O-CD1 3.27Å; R487-W514 HydrophobicContact CB-CD2 4.32Å; S510-W514 CarbonylContact C-O 3.58Å; S510-W514 VanDerWaalsContact CA-O 3.24Å; S510-W514 WeakPolarHBondContact CA-O 3.27Å; V511-W514 PolarHBondContact N-O 3.08Å; V511-W514 WeakPolarHBondContact O-CB 3.31Å; V511-W514 PolarHBondContact O-N 2.9Å; W514-V516 VanDerWaalsContact NE1-CG2 3.29Å
515	H	94.4	Very high	91.9	Very high	133 Å²	133	70.9 Å²	70.9	62%	0.616	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.6	-175.9	-68.3	-77.4	0	0	0	112.4	S509 S510	S509-H515 VanDerWaalsContact O-CA 3.31Å; S509-H515 WeakPolarHBondContact O-CA 3.42Å; S510-H515 VanDerWaalsContact CB-CE1 3.46Å; S510-H515 WeakPolarHBondContact CB-CE1 3.36Å; S510-H515 WeakPolarHBondContact CB-ND1 3.24Å
516	V	92.2	Very high	91.6	Very high	27 Å²	27	69.4 Å²	69.4	16%	0.164	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.9	175.2	-169	0	0	0	0	110.4	L483 S509 W514	L483-V516 HydrophobicContact CD1-CG1 4.15Å; L483-V516 HydrophobicContact CD2-CG1 3.74Å; L483-V516 HydrophobicContact CG-CG1 4.19Å; S509-V516 PolarHBondContact N-O 2.88Å; S509-V516 PolarHBondContact O-N 2.81Å; S509-V516 PolarHBondContact OG-O 3.44Å; W514-V516 VanDerWaalsContact NE1-CG2 3.29Å
517	D	94.5	Very high	91.2	Very high	129 Å²	129	65.8 Å²	65.8	69%	0.69	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	149.1	171.8	-66.8	-30.4	0	0	0	111.1	G507 S508	G507-D517 WeakPolarHBondContact O-CA 3.19Å; S508-D517 WeakPolarHBondContact CB-OD1 3.43Å
518	F	93	Very high	90.3	Very high	15 Å²	15	70.4 Å²	70.4	7%	0.066	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.6	-177.5	67.1	-96.1	0	0	0	113.8	L472 I474 L481 L483 I500 R502 T506 G507	L472-F518 HydrophobicContact CD2-CD1 3.98Å; L472-F518 HydrophobicContact CD2-CE1 3.67Å; L472-F518 HydrophobicContact CD2-CE2 4.39Å; L472-F518 HydrophobicContact CD2-CG 4.47Å; L472-F518 HydrophobicContact CD2-CZ 3.89Å; I474-F518 HydrophobicContact CD1-CE2 3.76Å; I474-F518 HydrophobicContact CD1-CZ 4.07Å; L481-F518 HydrophobicContact CD2-CB 3.84Å; L481-F518 HydrophobicContact CD2-CD2 3.75Å; L481-F518 HydrophobicContact CD2-CG 4.1Å; L483-F518 HydrophobicContact CD2-CB 3.56Å; L483-F518 HydrophobicContact CD2-CD1 4.37Å; L483-F518 HydrophobicContact CD2-CG 4.29Å; I500-F518 HydrophobicContact CG2-CE1 4.09Å; I500-F518 HydrophobicContact CG2-CZ 4.24Å; R502-F518 HydrophobicContact CB-CZ 4.33Å; R502-F518 HydrophobicContact CG-CE2 4.31Å; R502-F518 HydrophobicContact CG-CZ 4.43Å; T506-F518 CarbonylContact C-O 3.59Å; T506-F518 VanDerWaalsContact CA-O 3.32Å; T506-F518 WeakPolarHBondContact CA-O 3.22Å; G507-F518 PolarHBondContact N-O 3Å; G507-F518 PolarHBondContact O-N 3.33Å
519	S	92.5	Very high	88.9	Confident	70 Å²	70	68.2 Å²	68.2	49%	0.49	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122.3	174.9	-174.7	0	0	0	0	109.8	R505	R505-S519 CarbonylContact O-C 3.49Å; R505-S519 VanDerWaalsContact O-CA 3.27Å; R505-S519 WeakPolarHBondContact O-CA 3.33Å
520	T	89	Confident	87.5	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.018	38%	0.378	C	S	.	.			trans	-73.1	148.1	178.8	59.4	0	0	0	0	111.4	I474 L476 L481 R505	I474-T520 HydrophobicContact CB-CG2 4.25Å; I474-T520 HydrophobicContact CG2-CG2 3.97Å; L476-T520 HydrophobicContact CD1-CG2 4.19Å; L476-T520 WeakPolarHBondContact CD1-OG1 3.33Å; L476-T520 HydrophobicContact CG-CG2 4.29Å; L481-T520 HydrophobicContact CB-CG2 4.39Å; L481-T520 HydrophobicContact CD2-CG2 4.16Å; R505-T520 WeakPolarHBondContact CA-OG1 3.49Å; R505-T520 PolarHBondContact O-N 2.79Å; R505-T520 PolarHBondContact O-OG1 2.82Å
521	P	86	Confident	86	Confident	55 Å²	55	73.6 Å²	73.6	36%	0.357	38%	0.379	S	S	.	.	S	Bend	trans	-69	161.3	179.3	29.7	-35.7	0	0	0	112.6	G479	G479-P521 VanDerWaalsContact O-CG 3.24Å; G479-P521 WeakPolarHBondContact O-CG 2.89Å
522	G	85.6	Confident	84.8	Confident	37 Å²	37	78.5 Å²	78.5	38%	0.381	40%	0.4	S	S	.	.	S	Bend	trans	75.9	-158.5	173.4	0	0	0	0	0	115.7	R505	R505-G522 WeakPolarHBondContact CD-O 3.38Å; R505-G522 PolarHBondContact NH1-O 2.76Å
523	K	86.6	Confident	84.4	Confident	177 Å²	177	75.4 Å²	75.4	77%	0.77	38%	0.384	S	S	*	.	S	Bend	trans	-107.7	-19.6	-169.5	-66.4	-178.3	-177.5	176.3	0	114.1
524	E	88.1	Confident	84.3	Confident	97 Å²	97	69 Å²	69	45%	0.453	35%	0.349	S	S	.	.			trans	-65.7	142	-177.8	-63.2	-52.3	143	0	0	112.2	L476 R505	L476-E524 HydrophobicContact CB-CB 4.03Å; L476-E524 WeakPolarHBondContact O-CB 3.28Å; R505-E524 WeakPolarHBondContact CD-O 3.44Å; R505-E524 WeakPolarHBondContact CG-O 3.34Å
525	R	89.1	Confident	84.3	Confident	151 Å²	151	63.2 Å²	63.2	57%	0.57	33%	0.327	S	S	*	.			trans	-121.3	-15.9	-174.2	-62.5	-176.7	-178.8	-176.7	-0.9	113.6	R502 A504 R505	R502-R525 PolarHBondContact NH1-O 3.36Å; A504-R525 HydrophobicContact CB-CB 4.01Å; A504-R525 HydrophobicContact CB-CG 4.22Å; R505-R525 HydrophobicContact CG-CG 4.25Å
526	T	86.3	Confident	84.3	Confident	59 Å²	59	56.9 Å²	56.9	36%	0.362	30%	0.298	S	S	.	.			trans	-110.8	132.5	-170.6	-53.3	0	0	0	0	109	G429 D528	G429-T526 WeakPolarHBondContact O-CA 3.36Å; T526-D528 PolarHBondContact O-N 2.94Å; T526-D528 VanDerWaalsContact O-N 3.16Å
527	L	84.9	Confident	84.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-83.2	84	169.9	-176.6	69.2	0	0	0	108.6	W426 G429 V450 N459 F461 L476 S529	W426-L527 HydrophobicContact CZ3-CD2 4.47Å; G429-L527 PolarHBondContact O-N 2.84Å; V450-L527 HydrophobicContact CG1-CD2 4.44Å; N459-L527 HydrophobicContact CB-CD1 4.17Å; F461-L527 HydrophobicContact CB-CD2 3.66Å; L476-L527 HydrophobicContact CD2-CB 3.87Å; L476-L527 HydrophobicContact CD2-CD1 3.89Å; L476-L527 HydrophobicContact CD2-CG 4.49Å; L527-S529 PolarHBondContact O-N 2.96Å
528	D	74.2	Confident	83.9	Confident	109 Å²	109	50.3 Å²	50.3	58%	0.583	26%	0.262	S	S	*	.			trans	-90.3	92.2	176.3	-171.5	12.4	0	0	0	110.3	S457 N459 T526	S457-D528 PolarHBondContact OG-O 2.71Å; N459-D528 WeakPolarHBondContact CB-O 3.25Å; N459-D528 PolarHBondContact ND2-O 2.86Å; T526-D528 PolarHBondContact O-N 2.94Å; T526-D528 VanDerWaalsContact O-N 3.16Å
529	S	66.1	Low	83.4	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	27%	0.27	C	S	.	.			trans	-117.9	1.8	-170.6	49.9	0	0	0	0	113.5	G451 P452 L527 A531	G451-S529 CarbonylContact C-O 3.4Å; P452-S529 WeakPolarHBondContact CA-O 3.25Å; P452-S529 VanDerWaalsContact CB-O 3.25Å; P452-S529 WeakPolarHBondContact CB-O 3.29Å; L527-S529 PolarHBondContact O-N 2.96Å; S529-A531 VanDerWaalsContact O-CA 3.25Å; S529-A531 WeakPolarHBondContact O-CA 3.4Å; S529-A531 PolarHBondContact O-N 3.15Å; S529-A531 WeakPolarHBondContact OG-CB 3.19Å
530	D	64.9	Low	82.5	Confident	116 Å²	116	57.1 Å²	57.1	62%	0.62	28%	0.281	S	S	*	.			trans	42.1	40.9	-176.5	-153.2	20.4	0	0	0	112
531	A	62.4	Low	81.6	Confident	16 Å²	16	64.4 Å²	64.4	13%	0.132	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	145.1	-142.4	0	0	0	0	0	115.8	V450 G451 S529	V450-A531 HydrophobicContact CG1-CB 3.57Å; G451-A531 WeakPolarHBondContact O-CA 3.41Å; S529-A531 VanDerWaalsContact O-CA 3.25Å; S529-A531 WeakPolarHBondContact O-CA 3.4Å; S529-A531 PolarHBondContact O-N 3.15Å; S529-A531 WeakPolarHBondContact OG-CB 3.19Å
532	F	72.3	Confident	80.9	Confident	107 Å²	107	63.1 Å²	63.1	47%	0.469	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.3	156.6	-66.4	-98.3	0	0	0	107.5	G451 A453 Q534	G451-F532 PolarHBondContact O-N 3.25Å; A453-F532 HydrophobicContact CB-CD2 3.25Å; A453-F532 HydrophobicContact CB-CE2 3.23Å; A453-F532 HydrophobicContact CB-CG 4.4Å; A453-F532 HydrophobicContact CB-CZ 4.37Å; F532-Q534 PolarHBondContact O-NE2 2.94Å; F532-Q534 PolarHBondContact O-OE1 2.79Å
533	M	85.8	Confident	79.9	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.6	174.2	176.1	-178	172	0	0	108.7	A423 L448 Y449 V450 I535 F565 I567 L572	A423-M533 HydrophobicContact CB-CB 4.08Å; A423-M533 HydrophobicContact CB-CE 4.42Å; A423-M533 HydrophobicContact CB-CG 3.98Å; A423-M533 HydrophobicContact CB-SD 3.75Å; A423-M533 PolarHBondContact N-O 3.12Å; A423-M533 WeakPolarHBondContact O-CB 3.44Å; A423-M533 PolarHBondContact O-N 3.36Å; L448-M533 HydrophobicContact CD1-CE 3.23Å; L448-M533 HydrophobicContact CD1-CG 3.56Å; L448-M533 HydrophobicContact CD1-SD 4.09Å; L448-M533 HydrophobicContact CD2-CE 4.45Å; L448-M533 HydrophobicContact CG-CE 4.47Å; Y449-M533 WeakPolarHBondContact O-CA 3.29Å; V450-M533 HydrophobicContact CG2-CB 4.09Å; V450-M533 HydrophobicContact CG2-CG 3.87Å; M533-I535 HydrophobicContact CE-CD1 3.61Å; M533-I535 HydrophobicContact CE-CG1 3.68Å; M533-F565 HydrophobicContact CE-CD1 4.33Å; M533-F565 HydrophobicContact CE-CE1 3.29Å; M533-F565 HydrophobicContact CE-CZ 3.47Å; M533-F565 VanDerWaalsContact CE-CZ 3.47Å; M533-I567 HydrophobicContact CE-CD1 3.5Å; M533-I567 HydrophobicContact CE-CG1 4.22Å; M533-I567 HydrophobicContact SD-CD1 3.22Å; M533-I567 WeakPolarHBondContact SD-CD1 3.29Å; M533-I567 HydrophobicContact SD-CG1 4.43Å; M533-L572 HydrophobicContact CE-CD1 4.05Å
534	Q	89.3	Confident	79	Confident	22 Å²	22	60.5 Å²	60.5	10%	0.103	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.4	173.2	-59.1	86.2	22.4	0	0	110.5	L421 L448 Y449 F532 A537 L538	L421-Q534 WeakPolarHBondContact O-CA 3.21Å; L448-Q534 WeakPolarHBondContact CA-O 3.28Å; Y449-Q534 PolarHBondContact N-O 3.14Å; Y449-Q534 PolarHBondContact O-N 2.87Å; Y449-Q534 PolarHBondContact O-OE1 3.31Å; F532-Q534 PolarHBondContact O-NE2 2.94Å; F532-Q534 PolarHBondContact O-OE1 2.79Å; Q534-A537 WeakPolarHBondContact CB-O 3.09Å; Q534-L538 HydrophobicContact CB-CD2 3.89Å; Q534-L538 HydrophobicContact CG-CD2 3.84Å; Q534-L538 VanDerWaalsContact OE1-CD2 3.24Å
535	I	93.2	Very high	78.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.3	178.1	-55.9	171.7	0	0	0	107.7	F414 Y420 L421 A423 L447 L448 M533 A537 I562 F565 L572 F574	F414-I535 HydrophobicContact CZ-CG2 3.97Å; Y420-I535 CarbonylContact C-O 3.53Å; Y420-I535 WeakPolarHBondContact CA-O 3.4Å; L421-I535 HydrophobicContact CB-CB 4.38Å; L421-I535 PolarHBondContact N-O 3.07Å; L421-I535 PolarHBondContact O-N 3.31Å; A423-I535 HydrophobicContact CB-CD1 4.31Å; L447-I535 WeakPolarHBondContact O-CA 3.45Å; L447-I535 WeakPolarHBondContact O-CG2 3.24Å; L448-I535 HydrophobicContact CD1-CG1 4.3Å; M533-I535 HydrophobicContact CE-CD1 3.61Å; M533-I535 HydrophobicContact CE-CG1 3.68Å; I535-A537 PolarHBondContact O-N 2.83Å; I535-I562 HydrophobicContact CG2-CD1 4.03Å; I535-F565 HydrophobicContact CD1-CD1 4.5Å; I535-F565 HydrophobicContact CD1-CE1 4.29Å; I535-F565 HydrophobicContact CD1-CE2 4.26Å; I535-F565 HydrophobicContact CD1-CZ 4.15Å; I535-F565 HydrophobicContact CG1-CE2 4.46Å; I535-F565 HydrophobicContact CG1-CZ 4.35Å; I535-F565 HydrophobicContact CG2-CE2 4.27Å; I535-L572 HydrophobicContact CD1-CD1 3.59Å; I535-F574 HydrophobicContact CD1-CE1 3.75Å; I535-F574 HydrophobicContact CD1-CZ 4.47Å; I535-F574 HydrophobicContact CG2-CE1 4.26Å
536	G	93.4	Very high	77.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	88.9	-39.9	174.6	0	0	0	0	0	116.2	G419 L446 L447 G557 F558	G419-G536 CarbonylContact O-C 3.27Å; L446-G536 CarbonylContact O-C 3.53Å; L446-G536 VanDerWaalsContact O-CA 3.23Å; L446-G536 WeakPolarHBondContact O-CA 3.34Å; L447-G536 PolarHBondContact O-N 2.93Å; G536-G557 CarbonylContact O-C 3.49Å; G536-G557 WeakPolarHBondContact O-CA 3.47Å; G536-F558 PolarHBondContact O-N 2.9Å
537	A	92.5	Very high	77.1	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	27%	0.272	C	S	.	.			trans	-160.8	176.9	173.3	0	0	0	0	0	111.4	S417 G419 Y420 Q534 I535	S417-A537 WeakPolarHBondContact O-CB 3.33Å; G419-A537 WeakPolarHBondContact O-CB 3.22Å; G419-A537 PolarHBondContact O-N 3.46Å; Y420-A537 VanDerWaalsContact CB-O 3.24Å; Y420-A537 WeakPolarHBondContact CB-O 3.48Å; Q534-A537 WeakPolarHBondContact CB-O 3.09Å; I535-A537 PolarHBondContact O-N 2.83Å
538	L	86.5	Confident	76.7	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.073	28%	0.281	C	S	.	.			trans	-109.2	141.8	168.8	-70.1	177.5	0	0	0	110.9	L446 Y449 Q534 I545 A552	L446-L538 HydrophobicContact CD2-CD1 4.18Å; L446-L538 HydrophobicContact CD2-CG 3.72Å; Y449-L538 HydrophobicContact CD1-CD1 4.28Å; Y449-L538 HydrophobicContact CD1-CD2 3.77Å; Y449-L538 HydrophobicContact CD2-CD1 4.41Å; Y449-L538 HydrophobicContact CG-CD1 4.22Å; Y449-L538 HydrophobicContact CG-CD2 4.01Å; Q534-L538 HydrophobicContact CB-CD2 3.89Å; Q534-L538 HydrophobicContact CG-CD2 3.84Å; Q534-L538 VanDerWaalsContact OE1-CD2 3.24Å; L538-I545 HydrophobicContact CD1-CD1 3.77Å; L538-I545 HydrophobicContact CD1-CG1 3.79Å; L538-I545 HydrophobicContact CD1-CG2 4.36Å; L538-A552 HydrophobicContact CD1-CB 3.88Å
539	P	83.3	Confident	77.1	Confident	35 Å²	35	47.7 Å²	47.7	23%	0.227	25%	0.253	C	S	.	.			trans	-50	141.4	167.6	-25.5	31	0	0	0	112.2	Y420 N541 S542 R555	Y420-P539 HydrophobicContact CD2-CG 4.39Å; Y420-P539 HydrophobicContact CE1-CG 4.21Å; Y420-P539 HydrophobicContact CE2-CG 3.93Å; P539-N541 PolarHBondContact O-N 3.42Å; P539-S542 WeakPolarHBondContact CD-OG 3.23Å; P539-S542 WeakPolarHBondContact O-CB 3.14Å; P539-S542 PolarHBondContact O-N 3.46Å; P539-S542 PolarHBondContact O-OG 3.16Å; P539-R555 PolarHBondContact O-NH1 3.13Å
540	W	73.4	Confident	77.7	Confident	193 Å²	193	50.7 Å²	50.7	73%	0.731	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.1	-177.9	-77.4	14	0	0	0	113.9	R555	W540-R555 PolarHBondContact O-NH2 2.72Å
541	N	68.9	Low	78.5	Confident	157 Å²	157	45.2 Å²	45.2	84%	0.84	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	13.6	-179.7	-64.5	-15	0	0	0	113.5	P539 P543	P539-N541 PolarHBondContact O-N 3.42Å; N541-P543 VanDerWaalsContact O-CD 3.22Å; N541-P543 WeakPolarHBondContact O-CD 3.3Å
542	S	71.8	Confident	79.4	Confident	27 Å²	27	44.6 Å²	44.6	19%	0.189	23%	0.23	C	C	.	.			trans	-60.5	116.8	175.8	-68.2	0	0	0	0	110.3	P539	P539-S542 WeakPolarHBondContact CD-OG 3.23Å; P539-S542 WeakPolarHBondContact O-CB 3.14Å; P539-S542 PolarHBondContact O-N 3.46Å; P539-S542 PolarHBondContact O-OG 3.16Å
543	P	65.5	Low	79.6	Confident	71 Å²	71	41.9 Å²	41.9	46%	0.461	22%	0.222	S	C	.	.			trans	-75.6	155.9	175.8	31.9	-33	0	0	0	110.8	N541 I545	N541-P543 VanDerWaalsContact O-CD 3.22Å; N541-P543 WeakPolarHBondContact O-CD 3.3Å; P543-I545 PolarHBondContact O-N 2.72Å
544	N	67.9	Low	78.9	Confident	88 Å²	88	42.8 Å²	42.8	47%	0.471	23%	0.227	S	C	.	.			trans	55	49.4	167.1	-56.2	-36.4	0	0	0	116.1	M455 S546	M455-N544 WeakPolarHBondContact CA-ND2 3.39Å; M455-N544 VanDerWaalsContact CG-ND2 3.31Å; M455-N544 WeakPolarHBondContact CG-ND2 3.39Å; N544-S546 PolarHBondContact O-N 2.84Å
545	I	74.6	Confident	78.5	Confident	29 Å²	29	46.2 Å²	46.2	15%	0.149	24%	0.239	C	C	.	.			trans	-68.1	124	167.7	-57.7	174.3	0	0	0	108	L538 P543 P547 A552	L538-I545 HydrophobicContact CD1-CD1 3.77Å; L538-I545 HydrophobicContact CD1-CG1 3.79Å; L538-I545 HydrophobicContact CD1-CG2 4.36Å; P543-I545 PolarHBondContact O-N 2.72Å; I545-P547 WeakPolarHBondContact O-CD 3.49Å; I545-A552 HydrophobicContact CG2-CB 3.4Å; I545-A552 VanDerWaalsContact CG2-CB 3.4Å
546	S	76.6	Confident	78	Confident	20 Å²	20	48 Å²	48	14%	0.14	25%	0.247	C	C	.	.			trans	-59.1	123.7	174.5	177.1	0	0	0	0	109.7	F460 N544 S548 V549	F460-S546 WeakPolarHBondContact CE1-OG 3.31Å; F460-S546 VanDerWaalsContact CZ-OG 3.3Å; F460-S546 WeakPolarHBondContact CZ-OG 3.48Å; N544-S546 PolarHBondContact O-N 2.84Å; S546-S548 PolarHBondContact O-N 2.86Å; S546-S548 PolarHBondContact OG-N 3.35Å; S546-V549 PolarHBondContact O-N 3.45Å
547	P	71.9	Confident	77.9	Confident	72 Å²	72	48.2 Å²	48.2	47%	0.468	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-5.6	179.2	-6.3	19	0	0	0	113	I545	I545-P547 WeakPolarHBondContact O-CD 3.49Å
548	S	75.7	Confident	78.1	Confident	27 Å²	27	48 Å²	48	19%	0.189	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.8	168.1	-55.9	0	0	0	0	113.2	R482 S546	R482-S548 PolarHBondContact NH1-O 2.62Å; S546-S548 PolarHBondContact O-N 2.86Å; S546-S548 PolarHBondContact OG-N 3.35Å
549	V	83.1	Confident	78.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.			trans	-104.8	90.1	175.9	-173	0	0	0	0	108.1	L446 Y449 F460 A462 E464 S546 T551 A552 T553	L446-V549 HydrophobicContact CD1-CG1 3.92Å; Y449-V549 HydrophobicContact CD2-CG1 4.41Å; Y449-V549 HydrophobicContact CE2-CG2 4.17Å; F460-V549 HydrophobicContact CD2-CG2 3.82Å; F460-V549 HydrophobicContact CE2-CG2 3.3Å; F460-V549 HydrophobicContact CZ-CG2 3.98Å; A462-V549 HydrophobicContact CB-CB 4.47Å; A462-V549 HydrophobicContact CB-CG1 3.85Å; A462-V549 HydrophobicContact CB-CG2 3.69Å; E464-V549 WeakPolarHBondContact OE2-CG1 3.45Å; S546-V549 PolarHBondContact O-N 3.45Å; V549-T551 PolarHBondContact O-N 2.99Å; V549-A552 HydrophobicContact CB-CB 4.03Å; V549-A552 HydrophobicContact CG1-CB 3.54Å; V549-A552 PolarHBondContact O-N 3.46Å; V549-T553 PolarHBondContact O-N 2.96Å; V549-T553 VanDerWaalsContact O-N 3.14Å; V549-T553 PolarHBondContact O-OG1 3Å
550	W	78.8	Confident	78.8	Confident	65 Å²	65	47.2 Å²	47.2	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-53	-167.5	-61.1	-22.7	0	0	0	111.4	E464 F466 A552 T553 L554	E464-W550 PolarHBondContact OE1-N 2.95Å; E464-W550 VanDerWaalsContact OE1-N 3.11Å; E464-W550 PolarHBondContact OE2-N 3.06Å; E464-W550 VanDerWaalsContact OE2-N 3.13Å; F466-W550 HydrophobicContact CB-CE3 4.34Å; F466-W550 AromaticContact CD1-CE3 3.46Å; F466-W550 HydrophobicContact CD1-CE3 3.46Å; F466-W550 VanDerWaalsContact CD1-CE3 3.46Å; F466-W550 AromaticContact CD1-CZ3 3.56Å; F466-W550 HydrophobicContact CD1-CZ3 3.56Å; F466-W550 HydrophobicContact CD2-CB 4.17Å; F466-W550 AromaticContact CD2-CE3 3.89Å; F466-W550 HydrophobicContact CD2-CE3 3.89Å; F466-W550 AromaticContact CE1-CE3 3.55Å; F466-W550 HydrophobicContact CE1-CE3 3.55Å; F466-W550 AromaticContact CE1-CZ3 3.66Å; F466-W550 HydrophobicContact CE1-CZ3 3.66Å; F466-W550 HydrophobicContact CE2-CB 4.16Å; F466-W550 AromaticContact CE2-CE3 3.98Å; F466-W550 HydrophobicContact CE2-CE3 3.98Å; F466-W550 AromaticContact CG-CE3 3.63Å; F466-W550 HydrophobicContact CG-CE3 3.63Å; F466-W550 HydrophobicContact CG-CZ3 4.15Å; F466-W550 AromaticContact CZ-CE3 3.81Å; F466-W550 HydrophobicContact CZ-CE3 3.81Å; F466-W550 HydrophobicContact CZ-CZ3 4.33Å; W550-A552 PolarHBondContact O-N 3.3Å; W550-A552 VanDerWaalsContact O-N 3.14Å; W550-T553 CarbonylContact O-C 3.54Å; W550-T553 WeakPolarHBondContact O-CA 3.23Å; W550-T553 WeakPolarHBondContact O-CB 3.13Å; W550-T553 PolarHBondContact O-N 2.86Å; W550-L554 WeakPolarHBondContact O-CB 3.27Å; W550-L554 WeakPolarHBondContact O-CG 2.94Å; W550-L554 PolarHBondContact O-N 3.01Å
551	T	81.8	Confident	79.7	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-34.3	-176.6	61.7	0	0	0	0	112.6	N444 L446 E464 M465 F466 V549 L554 R555 Q556	N444-T551 HydrophobicContact CB-CG2 4.47Å; L446-T551 WeakPolarHBondContact CB-OG1 3.49Å; E464-T551 HydrophobicContact CB-CG2 3.96Å; E464-T551 VanDerWaalsContact CB-OG1 3.25Å; E464-T551 WeakPolarHBondContact CB-OG1 3.48Å; E464-T551 HydrophobicContact CG-CG2 4.38Å; E464-T551 WeakPolarHBondContact OE2-CB 3.48Å; E464-T551 PolarHBondContact OE2-N 3.32Å; E464-T551 PolarHBondContact OE2-OG1 3.47Å; M465-T551 WeakPolarHBondContact O-CG2 3.34Å; F466-T551 HydrophobicContact CD2-CG2 4.24Å; V549-T551 PolarHBondContact O-N 2.99Å; T551-L554 CarbonylContact O-C 3.57Å; T551-L554 PolarHBondContact O-N 2.89Å; T551-R555 PolarHBondContact O-N 2.96Å; T551-Q556 PolarHBondContact O-N 3.35Å
552	A	81.7	Confident	81	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-44.8	175.8	0	0	0	0	0	111.7	L446 L538 I545 V549 W550 L554 R555	L446-A552 HydrophobicContact CD1-CB 4.4Å; L446-A552 HydrophobicContact CD2-CB 3.98Å; L538-A552 HydrophobicContact CD1-CB 3.88Å; I545-A552 HydrophobicContact CG2-CB 3.4Å; I545-A552 VanDerWaalsContact CG2-CB 3.4Å; V549-A552 HydrophobicContact CB-CB 4.03Å; V549-A552 HydrophobicContact CG1-CB 3.54Å; V549-A552 PolarHBondContact O-N 3.46Å; W550-A552 PolarHBondContact O-N 3.3Å; W550-A552 VanDerWaalsContact O-N 3.14Å; A552-L554 VanDerWaalsContact C-N 3.33Å; A552-R555 PolarHBondContact O-N 3.42Å
553	T	76.6	Confident	81.8	Confident	49 Å²	49	32 Å²	32	30%	0.301	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-39.4	174.2	-55.5	0	0	0	0	111.7	V549 W550 R555	V549-T553 PolarHBondContact O-N 2.96Å; V549-T553 VanDerWaalsContact O-N 3.14Å; V549-T553 PolarHBondContact O-OG1 3Å; W550-T553 CarbonylContact O-C 3.54Å; W550-T553 WeakPolarHBondContact O-CA 3.23Å; W550-T553 WeakPolarHBondContact O-CB 3.13Å; W550-T553 PolarHBondContact O-N 2.86Å; T553-R555 PolarHBondContact O-N 2.88Å
554	L	69.6	Low	82.9	Confident	21 Å²	21	30.5 Å²	30.5	11%	0.11	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.5	177.3	-57.6	-159.7	0	0	0	113.7	F466 W550 T551 A552 Q556 D732	F466-L554 HydrophobicContact CE2-CD1 4.03Å; W550-L554 WeakPolarHBondContact O-CB 3.27Å; W550-L554 WeakPolarHBondContact O-CG 2.94Å; W550-L554 PolarHBondContact O-N 3.01Å; T551-L554 CarbonylContact O-C 3.57Å; T551-L554 PolarHBondContact O-N 2.89Å; A552-L554 VanDerWaalsContact C-N 3.33Å; L554-Q556 HydrophobicContact CB-CB 4.36Å; L554-Q556 HydrophobicContact CB-CG 3.8Å; L554-Q556 PolarHBondContact O-N 3.32Å; L554-D732 HydrophobicContact CD2-CB 3.18Å; L554-D732 VanDerWaalsContact CD2-O 3.23Å; L554-D732 WeakPolarHBondContact CD2-O 3.35Å
555	R	82	Confident	84	Confident	94 Å²	94	26.4 Å²	26.4	36%	0.355	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.4	-172.4	-57.5	-63.8	-174.1	165	-1.3	113.4	P539 W540 T551 A552 T553 G557	P539-R555 PolarHBondContact O-NH1 3.13Å; W540-R555 PolarHBondContact O-NH2 2.72Å; T551-R555 PolarHBondContact O-N 2.96Å; A552-R555 PolarHBondContact O-N 3.42Å; T553-R555 PolarHBondContact O-N 2.88Å; R555-G557 PolarHBondContact O-N 3.13Å
556	Q	82.4	Confident	84.6	Confident	38 Å²	38	26.4 Å²	26.4	18%	0.178	14%	0.136	C	C	.	.			trans	-98	83.7	176.6	-66.4	178.3	11.1	0	0	109.3	N444 G445 L446 T551 L554	N444-Q556 PolarHBondContact ND2-OE1 2.86Å; G445-Q556 CarbonylContact C-O 3.54Å; G445-Q556 WeakPolarHBondContact CA-O 3.43Å; L446-Q556 PolarHBondContact N-O 3.17Å; T551-Q556 PolarHBondContact O-N 3.35Å; L554-Q556 HydrophobicContact CB-CB 4.36Å; L554-Q556 HydrophobicContact CB-CG 3.8Å; L554-Q556 PolarHBondContact O-N 3.32Å
557	G	91	Very high	85	Confident	5 Å²	5	26.2 Å²	26.2	5%	0.052	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-68.3	160.4	169.6	0	0	0	0	0	112.6	S417 G536 R555	S417-G557 WeakPolarHBondContact O-CA 3.36Å; S417-G557 PolarHBondContact O-N 3.03Å; S417-G557 VanDerWaalsContact O-N 3.08Å; G536-G557 CarbonylContact O-C 3.49Å; G536-G557 WeakPolarHBondContact O-CA 3.47Å; R555-G557 PolarHBondContact O-N 3.13Å
558	F	96.4	Very high	85.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.			trans	-66.5	130.3	177.2	179.8	-99.8	0	0	0	111.7	F414 F438 T440 L446 L447 G536 G560 I562	F414-F558 HydrophobicContact CB-CD1 4.22Å; F414-F558 WeakPolarHBondContact CB-O 3.25Å; F414-F558 AromaticContact CD2-CD1 3.85Å; F414-F558 HydrophobicContact CD2-CD1 3.85Å; F414-F558 HydrophobicContact CD2-CE1 4.2Å; F414-F558 HydrophobicContact CG-CD1 4.13Å; F438-F558 HydrophobicContact CB-CZ 4.09Å; F438-F558 AromaticContact CD2-CE2 3.83Å; F438-F558 HydrophobicContact CD2-CE2 3.83Å; F438-F558 HydrophobicContact CD2-CZ 4.07Å; T440-F558 HydrophobicContact CG2-CE2 3.88Å; T440-F558 HydrophobicContact CG2-CZ 4.48Å; L446-F558 VanDerWaalsContact O-CB 3.27Å; L446-F558 WeakPolarHBondContact O-CB 3.42Å; L447-F558 HydrophobicContact CD1-CD2 3.82Å; L447-F558 HydrophobicContact CD1-CE2 4.38Å; L447-F558 HydrophobicContact CD2-CE2 4.44Å; L447-F558 HydrophobicContact CG-CD2 3.81Å; L447-F558 HydrophobicContact CG-CE2 4.2Å; L447-F558 HydrophobicContact CG-CG 4.3Å; G536-F558 PolarHBondContact O-N 2.9Å; F558-G560 VanDerWaalsContact CE1-CA 3.44Å; F558-I562 HydrophobicContact CD1-CD1 3.93Å; F558-I562 HydrophobicContact CD1-CG1 4.08Å; F558-I562 HydrophobicContact CE1-CD1 3.88Å; F558-I562 HydrophobicContact CE1-CG1 3.51Å; F558-I562 HydrophobicContact CZ-CG1 4.1Å
559	I	92.9	Very high	85.6	Confident	31 Å²	31	28.1 Å²	28.1	16%	0.159	15%	0.15	C	C	.	.			trans	-116.7	127.4	165.7	-52.1	176.3	0	0	0	105.9	F414 T440 E442 W612	F414-I559 VanDerWaalsContact O-CG2 3.29Å; F414-I559 WeakPolarHBondContact O-CG2 3.39Å; T440-I559 WeakPolarHBondContact CB-O 3.4Å; T440-I559 PolarHBondContact OG1-O 2.88Å; E442-I559 HydrophobicContact CG-CB 3.76Å; E442-I559 HydrophobicContact CG-CD1 4.44Å; E442-I559 HydrophobicContact CG-CG1 4.45Å; E442-I559 HydrophobicContact CG-CG2 4.44Å; I559-W612 HydrophobicContact CG2-CB 3.87Å; I559-W612 HydrophobicContact CG2-CG 4.36Å
560	G	92.4	Very high	85.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-169.6	-168.1	0	0	0	0	0	111.9	T413 F414 R439 F558 W612	T413-G560 CarbonylContact C-O 3.51Å; T413-G560 WeakPolarHBondContact CA-O 3.34Å; F414-G560 PolarHBondContact N-O 2.64Å; F414-G560 PolarHBondContact O-N 3.03Å; R439-G560 WeakPolarHBondContact O-CA 3.47Å; F558-G560 VanDerWaalsContact CE1-CA 3.44Å; G560-W612 VanDerWaalsContact CA-CD1 3.42Å
561	C	93.1	Very high	85.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.6	172.2	-62.5	0	0	0	0	112.6	V412 T413 F438 R439 W495 C590 W612	V412-C561 CarbonylContact O-C 3.57Å; V412-C561 WeakPolarHBondContact O-CA 3.2Å; T413-C561 PolarHBondContact OG1-SG 3.17Å; F438-C561 CarbonylContact C-O 3.53Å; F438-C561 WeakPolarHBondContact CA-O 3.49Å; F438-C561 WeakPolarHBondContact CB-O 3.48Å; R439-C561 HydrophobicContact CG-CB 3.91Å; R439-C561 PolarHBondContact N-O 3.31Å; R439-C561 PolarHBondContact O-N 2.79Å; W495-C561 HydrophobicContact CH2-CB 3.65Å; W495-C561 HydrophobicContact CZ2-CB 4.33Å; W495-C561 HydrophobicContact CZ3-CB 4.21Å; C561-C590 HydrophobicContact CB-CB 3.63Å; C561-C590 WeakPolarHBondContact CB-SG 3.34Å; C561-C590 WeakPolarHBondContact SG-CB 3.44Å; C561-C590 CovalentContact SG-SG 2Å; C561-C590 PolarHBondContact SG-SG 2.87Å; C561-W612 HydrophobicContact CB-CZ2 4.16Å; C561-W612 WeakPolarHBondContact SG-CZ2 3.43Å
562	I	94.2	Very high	85.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.6	172.5	-57.4	-174.7	0	0	0	108.8	A411 V412 F414 F436 R437 F438 I535 F558 F565 F574	A411-I562 CarbonylContact C-O 3.59Å; A411-I562 VanDerWaalsContact CA-O 3.3Å; A411-I562 WeakPolarHBondContact CA-O 3.36Å; V412-I562 HydrophobicContact CG2-CB 4.42Å; V412-I562 PolarHBondContact N-O 2.79Å; V412-I562 PolarHBondContact O-N 3.14Å; F414-I562 HydrophobicContact CD2-CD1 4.3Å; F414-I562 HydrophobicContact CD2-CG1 4.37Å; F414-I562 HydrophobicContact CE2-CB 4.4Å; F414-I562 HydrophobicContact CE2-CD1 3.74Å; F414-I562 HydrophobicContact CE2-CG1 4.06Å; F414-I562 HydrophobicContact CZ-CD1 4.46Å; F436-I562 HydrophobicContact CB-CG2 4.39Å; R437-I562 CarbonylContact O-C 3.5Å; R437-I562 WeakPolarHBondContact O-CA 3.19Å; F438-I562 HydrophobicContact CB-CG1 4.29Å; I535-I562 HydrophobicContact CG2-CD1 4.03Å; F558-I562 HydrophobicContact CD1-CD1 3.93Å; F558-I562 HydrophobicContact CD1-CG1 4.08Å; F558-I562 HydrophobicContact CE1-CD1 3.88Å; F558-I562 HydrophobicContact CE1-CG1 3.51Å; F558-I562 HydrophobicContact CZ-CG1 4.1Å; I562-F565 HydrophobicContact CG2-CB 4.46Å; I562-F565 HydrophobicContact CG2-CD2 3.8Å; I562-F574 HydrophobicContact CB-CZ 4.43Å; I562-F574 HydrophobicContact CG2-CE2 3.97Å; I562-F574 HydrophobicContact CG2-CZ 3.76Å
563	R	89.7	Confident	84.8	Confident	58 Å²	58	41.4 Å²	41.4	22%	0.219	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	173	171.1	69.5	179.8	169.2	153.2	-1.8	111	A411 R437 W495 F565	A411-R563 HydrophobicContact CB-CB 3.89Å; R437-R563 HydrophobicContact CB-CG 3.84Å; R437-R563 PolarHBondContact N-O 3.22Å; R437-R563 PolarHBondContact O-N 3.17Å; W495-R563 HydrophobicContact CE3-CG 4.14Å; W495-R563 HydrophobicContact CH2-CB 4.17Å; W495-R563 HydrophobicContact CH2-CG 3.72Å; W495-R563 HydrophobicContact CZ2-CG 4.44Å; W495-R563 HydrophobicContact CZ3-CB 4.29Å; W495-R563 HydrophobicContact CZ3-CG 3.56Å; R563-F565 PolarHBondContact O-N 3.41Å; R563-F565 VanDerWaalsContact O-N 3.12Å
564	D	88.3	Confident	84.8	Confident	40 Å²	40	39.6 Å²	39.6	21%	0.214	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.2	32.9	175	-52.5	-30.3	0	0	0	113.4	R437 T566	R437-D564 WeakPolarHBondContact CD-OD2 3.43Å; R437-D564 IonicContact CZ-OD2 2.87Å; R437-D564 IonicContact NE-OD2 2.84Å; R437-D564 IonicContact NH1-OD2 3.24Å; R437-D564 PolarHBondContact NH1-OD2 2.7Å; D564-T566 PolarHBondContact O-N 2.88Å
565	F	90.6	Very high	84.8	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.7	-175	-159.2	-65.4	0	0	0	110.1	V434 G435 F436 L448 M533 I535 I562 R563 I567 L571 L572 F574	V434-F565 HydrophobicContact CG1-CE1 4.15Å; V434-F565 HydrophobicContact CG1-CZ 4.08Å; G435-F565 CarbonylContact O-C 3.59Å; G435-F565 WeakPolarHBondContact O-CA 3.41Å; F436-F565 HydrophobicContact CB-CB 4.1Å; F436-F565 HydrophobicContact CB-CD2 3.51Å; F436-F565 HydrophobicContact CB-CE2 4.12Å; F436-F565 HydrophobicContact CB-CG 3.93Å; F436-F565 AromaticContact CD1-CD2 3.98Å; F436-F565 HydrophobicContact CD1-CD2 3.98Å; F436-F565 AromaticContact CD1-CE2 3.68Å; F436-F565 HydrophobicContact CD1-CE2 3.68Å; F436-F565 HydrophobicContact CD1-CZ 4.16Å; F436-F565 HydrophobicContact CE1-CE2 4.32Å; F436-F565 AromaticContact CG-CD2 3.84Å; F436-F565 HydrophobicContact CG-CD2 3.84Å; F436-F565 AromaticContact CG-CE2 3.96Å; F436-F565 HydrophobicContact CG-CE2 3.96Å; L448-F565 HydrophobicContact CD1-CZ 4.23Å; L448-F565 HydrophobicContact CD2-CZ 4.23Å; M533-F565 HydrophobicContact CE-CD1 4.33Å; M533-F565 HydrophobicContact CE-CE1 3.29Å; M533-F565 HydrophobicContact CE-CZ 3.47Å; M533-F565 VanDerWaalsContact CE-CZ 3.47Å; I535-F565 HydrophobicContact CD1-CD1 4.5Å; I535-F565 HydrophobicContact CD1-CE1 4.29Å; I535-F565 HydrophobicContact CD1-CE2 4.26Å; I535-F565 HydrophobicContact CD1-CZ 4.15Å; I535-F565 HydrophobicContact CG1-CE2 4.46Å; I535-F565 HydrophobicContact CG1-CZ 4.35Å; I535-F565 HydrophobicContact CG2-CE2 4.27Å; I562-F565 HydrophobicContact CG2-CB 4.46Å; I562-F565 HydrophobicContact CG2-CD2 3.8Å; R563-F565 PolarHBondContact O-N 3.41Å; R563-F565 VanDerWaalsContact O-N 3.12Å; F565-I567 HydrophobicContact CD1-CG1 4.26Å; F565-I567 HydrophobicContact CE1-CD1 4.37Å; F565-I567 HydrophobicContact CE1-CG1 3.91Å; F565-L571 CarbonylContact O-C 3.07Å; F565-L571 WeakPolarHBondContact O-CA 3.01Å; F565-L572 HydrophobicContact CD1-CD1 3.37Å; F565-L572 HydrophobicContact CD1-CG 4.01Å; F565-L572 HydrophobicContact CE1-CD1 3.8Å; F565-L572 HydrophobicContact CG-CD1 4.1Å; F565-L572 PolarHBondContact O-N 3.46Å; F565-F574 HydrophobicContact CB-CE1 4.38Å; F565-F574 HydrophobicContact CB-CE2 3.61Å; F565-F574 HydrophobicContact CB-CZ 3.38Å; F565-F574 AromaticContact CD2-CZ 3.88Å; F565-F574 HydrophobicContact CD2-CZ 3.88Å; F565-F574 AromaticContact CG-CZ 3.82Å; F565-F574 HydrophobicContact CG-CZ 3.82Å
566	T	88.2	Confident	84.1	Confident	30 Å²	30	39 Å²	39	18%	0.184	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.7	-176.2	58.3	0	0	0	0	110.7	V434 G435 D564 I570 L571	V434-T566 WeakPolarHBondContact CA-O 3.48Å; G435-T566 WeakPolarHBondContact CA-OG1 3.46Å; G435-T566 PolarHBondContact N-O 2.84Å; G435-T566 PolarHBondContact N-OG1 2.9Å; G435-T566 PolarHBondContact O-N 3.12Å; G435-T566 PolarHBondContact O-OG1 2.91Å; G435-T566 VanDerWaalsContact O-OG1 3.06Å; D564-T566 PolarHBondContact O-N 2.88Å; T566-I570 CarbonylContact C-O 3.54Å; T566-I570 VanDerWaalsContact CA-O 3.24Å; T566-I570 WeakPolarHBondContact CA-O 3.34Å; T566-L571 HydrophobicContact CG2-CB 4.43Å; T566-L571 HydrophobicContact CG2-CD1 3.93Å
567	I	85.2	Confident	83.8	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.6	171.6	-57.6	179.4	0	0	0	107.4	W426 Q433 M533 F565 G569 I570 L572	W426-I567 HydrophobicContact CB-CD1 4.12Å; W426-I567 HydrophobicContact CB-CG2 3.76Å; W426-I567 HydrophobicContact CD2-CG2 4.04Å; W426-I567 HydrophobicContact CG-CG2 3.36Å; Q433-I567 CarbonylContact O-C 3.45Å; Q433-I567 WeakPolarHBondContact O-CA 3.27Å; M533-I567 HydrophobicContact CE-CD1 3.5Å; M533-I567 HydrophobicContact CE-CG1 4.22Å; M533-I567 HydrophobicContact SD-CD1 3.22Å; M533-I567 WeakPolarHBondContact SD-CD1 3.29Å; M533-I567 HydrophobicContact SD-CG1 4.43Å; F565-I567 HydrophobicContact CD1-CG1 4.26Å; F565-I567 HydrophobicContact CE1-CD1 4.37Å; F565-I567 HydrophobicContact CE1-CG1 3.91Å; I567-G569 PolarHBondContact O-N 2.81Å; I567-G569 VanDerWaalsContact O-N 3.09Å; I567-I570 PolarHBondContact N-O 3.22Å; I567-I570 WeakPolarHBondContact O-CB 3.37Å; I567-I570 PolarHBondContact O-N 2.93Å; I567-L572 HydrophobicContact CD1-CD1 4Å; I567-L572 HydrophobicContact CD1-CD2 4.02Å; I567-L572 HydrophobicContact CD1-CG 4.21Å; I567-L572 HydrophobicContact CG1-CD1 4.35Å; I567-L572 HydrophobicContact CG1-CG 4.36Å
568	D	82.9	Confident	82.9	Confident	81 Å²	81	41.4 Å²	41.4	43%	0.433	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.7	-177.5	-60.8	-33.4	0	0	0	112.3	W426 G432 Q433 I570	W426-D568 PolarHBondContact NE1-OD2 3.03Å; W426-D568 VanDerWaalsContact NE1-OD2 3.09Å; G432-D568 WeakPolarHBondContact CA-OD1 3.32Å; Q433-D568 PolarHBondContact N-OD1 2.8Å; Q433-D568 PolarHBondContact O-N 2.57Å; D568-I570 VanDerWaalsContact C-N 3.3Å; D568-I570 PolarHBondContact O-N 2.76Å
569	G	76.4	Confident	81.4	Confident	57 Å²	57	43.8 Å²	43.8	59%	0.588	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-4.6	-177.5	0	0	0	0	0	115.5	I567	I567-G569 PolarHBondContact O-N 2.81Å; I567-G569 VanDerWaalsContact O-N 3.09Å
570	I	78.2	Confident	79.8	Confident	122 Å²	122	49.7 Å²	49.7	63%	0.626	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.5	178.9	-55.6	176	0	0	0	109.6	T566 I567 D568	T566-I570 CarbonylContact C-O 3.54Å; T566-I570 VanDerWaalsContact CA-O 3.24Å; T566-I570 WeakPolarHBondContact CA-O 3.34Å; I567-I570 PolarHBondContact N-O 3.22Å; I567-I570 WeakPolarHBondContact O-CB 3.37Å; I567-I570 PolarHBondContact O-N 2.93Å; D568-I570 VanDerWaalsContact C-N 3.3Å; D568-I570 PolarHBondContact O-N 2.76Å
571	L	78.2	Confident	78.2	Confident	113 Å²	113	54.7 Å²	54.7	59%	0.592	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.8	175.4	-171.3	73.2	0	0	0	111.1	F565 T566	F565-L571 CarbonylContact O-C 3.07Å; F565-L571 WeakPolarHBondContact O-CA 3.01Å; T566-L571 HydrophobicContact CG2-CB 4.43Å; T566-L571 HydrophobicContact CG2-CD1 3.93Å
572	L	79.7	Confident	75.8	Confident	34 Å²	34	63.6 Å²	63.6	18%	0.178	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-79.4	132.6	175.9	-69.9	-176.5	0	0	0	112	A423 M533 I535 F565 I567 F574	A423-L572 HydrophobicContact CB-CD1 4.38Å; M533-L572 HydrophobicContact CE-CD1 4.05Å; I535-L572 HydrophobicContact CD1-CD1 3.59Å; F565-L572 HydrophobicContact CD1-CD1 3.37Å; F565-L572 HydrophobicContact CD1-CG 4.01Å; F565-L572 HydrophobicContact CE1-CD1 3.8Å; F565-L572 HydrophobicContact CG-CD1 4.1Å; F565-L572 PolarHBondContact O-N 3.46Å; I567-L572 HydrophobicContact CD1-CD1 4Å; I567-L572 HydrophobicContact CD1-CD2 4.02Å; I567-L572 HydrophobicContact CD1-CG 4.21Å; I567-L572 HydrophobicContact CG1-CD1 4.35Å; I567-L572 HydrophobicContact CG1-CG 4.36Å; L572-F574 PolarHBondContact O-N 2.79Å; L572-F574 VanDerWaalsContact O-N 3.16Å
573	D	71.7	Confident	74.1	Confident	80 Å²	80	70.6 Å²	70.6	43%	0.428	39%	0.392	S	S	.	.			trans	-85.3	83	174.8	176	2.8	0	0	0	110.9	K310 V575 G576 L577	K310-D573 VanDerWaalsContact CE-OD2 3.27Å; K310-D573 WeakPolarHBondContact CE-OD2 3.06Å; K310-D573 IonicContact NZ-OD1 2.68Å; K310-D573 PolarHBondContact NZ-OD1 2.83Å; K310-D573 VanDerWaalsContact NZ-OD1 3.15Å; K310-D573 IonicContact NZ-OD2 3.46Å; K310-D573 PolarHBondContact NZ-OD2 2.9Å; D573-V575 PolarHBondContact O-N 3.36Å; D573-V575 PolarHBondContact OD1-N 2.79Å; D573-G576 PolarHBondContact O-N 3.02Å; D573-G576 PolarHBondContact OD1-N 2.73Å; D573-L577 PolarHBondContact O-N 2.82Å
574	F	78.4	Confident	73.1	Confident	11 Å²	11	69.3 Å²	69.3	5%	0.048	39%	0.391	C	S	.	.	H	α-helix	trans	-56.7	-35.5	-180	-74.3	-53.7	0	0	0	113.4	V412 L421 I535 I562 F565 L572 G576 L577 L578	V412-F574 HydrophobicContact CG1-CB 3.51Å; V412-F574 HydrophobicContact CG1-CD2 4.23Å; V412-F574 HydrophobicContact CG1-CG 4.02Å; V412-F574 HydrophobicContact CG2-CB 4.3Å; V412-F574 HydrophobicContact CG2-CD1 4.21Å; V412-F574 HydrophobicContact CG2-CD2 3.76Å; V412-F574 HydrophobicContact CG2-CE1 4.42Å; V412-F574 HydrophobicContact CG2-CE2 4.01Å; V412-F574 HydrophobicContact CG2-CG 3.86Å; V412-F574 HydrophobicContact CG2-CZ 4.32Å; L421-F574 HydrophobicContact CD1-CB 4.42Å; L421-F574 HydrophobicContact CD1-CD1 3.35Å; L421-F574 HydrophobicContact CD1-CE1 3.85Å; L421-F574 HydrophobicContact CD1-CG 4.21Å; I535-F574 HydrophobicContact CD1-CE1 3.75Å; I535-F574 HydrophobicContact CD1-CZ 4.47Å; I535-F574 HydrophobicContact CG2-CE1 4.26Å; I562-F574 HydrophobicContact CB-CZ 4.43Å; I562-F574 HydrophobicContact CG2-CE2 3.97Å; I562-F574 HydrophobicContact CG2-CZ 3.76Å; F565-F574 HydrophobicContact CB-CE1 4.38Å; F565-F574 HydrophobicContact CB-CE2 3.61Å; F565-F574 HydrophobicContact CB-CZ 3.38Å; F565-F574 AromaticContact CD2-CZ 3.88Å; F565-F574 HydrophobicContact CD2-CZ 3.88Å; F565-F574 AromaticContact CG-CZ 3.82Å; F565-F574 HydrophobicContact CG-CZ 3.82Å; L572-F574 PolarHBondContact O-N 2.79Å; L572-F574 VanDerWaalsContact O-N 3.16Å; F574-G576 PolarHBondContact O-N 3.2Å; F574-L577 HydrophobicContact CD1-CD1 4.42Å; F574-L577 PolarHBondContact O-N 2.84Å; F574-L578 PolarHBondContact O-N 2.89Å
575	V	68.1	Low	72.7	Confident	55 Å²	55	68.8 Å²	68.8	33%	0.333	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-35.4	178.9	-176	0	0	0	0	110.8	K310 D573 L577 V588	K310-V575 HydrophobicContact CB-CB 4.45Å; K310-V575 HydrophobicContact CB-CG1 4.16Å; K310-V575 HydrophobicContact CD-CB 3.89Å; K310-V575 HydrophobicContact CD-CG1 3.92Å; D573-V575 PolarHBondContact O-N 3.36Å; D573-V575 PolarHBondContact OD1-N 2.79Å; V575-L577 VanDerWaalsContact C-N 3.29Å; V575-L577 PolarHBondContact O-N 3.42Å; V575-V588 HydrophobicContact CG2-CG1 4.38Å; V575-V588 HydrophobicContact CG2-CG2 4.12Å
576	G	68.3	Low	72.4	Confident	47 Å²	47	68.8 Å²	68.8	49%	0.485	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-21.6	172.3	0	0	0	0	0	114.9	D573 F574	D573-G576 PolarHBondContact O-N 3.02Å; D573-G576 PolarHBondContact OD1-N 2.73Å; F574-G576 PolarHBondContact O-N 3.2Å
577	L	75.2	Confident	71.9	Confident	54 Å²	54	69.7 Å²	69.7	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-93.3	-12.4	-178.1	-56.2	-176.7	0	0	0	113.6	L421 N422 A423 D573 F574 V575	L421-L577 HydrophobicContact CB-CB 4.28Å; L421-L577 HydrophobicContact CB-CD1 4.46Å; L421-L577 HydrophobicContact CD2-CB 4.34Å; N422-L577 WeakPolarHBondContact O-CD2 3.33Å; A423-L577 HydrophobicContact CB-CD1 4.17Å; D573-L577 PolarHBondContact O-N 2.82Å; F574-L577 HydrophobicContact CD1-CD1 4.42Å; F574-L577 PolarHBondContact O-N 2.84Å; V575-L577 VanDerWaalsContact C-N 3.29Å; V575-L577 PolarHBondContact O-N 3.42Å
578	L	72.9	Confident	71.3	Confident	39 Å²	39	71.2 Å²	71.2	20%	0.204	40%	0.402	C	S	.	.			trans	-66.1	129.9	-175.3	-76.4	170.9	0	0	0	112.1	L421 F574 V586 V588	L421-L578 HydrophobicContact CD2-CD2 3.95Å; F574-L578 PolarHBondContact O-N 2.89Å; L578-V586 HydrophobicContact CD2-CB 3.67Å; L578-V586 HydrophobicContact CD2-CG1 3.68Å; L578-V586 WeakPolarHBondContact CD2-O 3.3Å; L578-V588 HydrophobicContact CD1-CG2 3.27Å
579	P	65.1	Low	70.8	Confident	51 Å²	51	67.4 Å²	67.4	33%	0.331	38%	0.381	S	S	.	.			trans	-71.2	138.5	177.1	30	-34.1	0	0	0	110.7	L581	P579-L581 VanDerWaalsContact C-N 3.26Å; P579-L581 HydrophobicContact CB-CD1 4.12Å; P579-L581 HydrophobicContact CB-CG 4.14Å; P579-L581 HydrophobicContact CG-CD1 4.06Å; P579-L581 HydrophobicContact CG-CG 4.45Å; P579-L581 PolarHBondContact O-N 3.02Å
580	T	58.4	Low	70.8	Confident	155 Å²	155	64.7 Å²	64.7	95%	0.951	35%	0.353	S	S	*	.			trans	-76.2	75.2	178	-23.2	0	0	0	0	110.8
581	L	58.6	Low	70.3	Confident	105 Å²	105	61.8 Å²	61.8	55%	0.55	34%	0.335	S	S	.	.			trans	-112	156	179.4	-65.2	173.5	0	0	0	111.3	P579 E583 P584	P579-L581 VanDerWaalsContact C-N 3.26Å; P579-L581 HydrophobicContact CB-CD1 4.12Å; P579-L581 HydrophobicContact CB-CG 4.14Å; P579-L581 HydrophobicContact CG-CD1 4.06Å; P579-L581 HydrophobicContact CG-CG 4.45Å; P579-L581 PolarHBondContact O-N 3.02Å; L581-E583 VanDerWaalsContact C-N 3.33Å; L581-P584 HydrophobicContact CB-CB 4.34Å
582	K	43.5	Very low	69.6	Low	187 Å²	187	58.9 Å²	58.9	81%	0.813	32%	0.32	S	S	*	.	S	Bend	trans	-68.7	-34.4	179.3	-170.1	-175.6	173.7	-157.5	0	112.3
583	E	59.5	Low	68.8	Low	147 Å²	147	59.9 Å²	59.9	69%	0.687	33%	0.325	S	S	*	.	S	Bend	trans	-133.9	86.9	173.8	-74.1	169.4	-162.2	0	0	105.6	L363 L581	L363-E583 HydrophobicContact CD1-CG 4.13Å; L581-E583 VanDerWaalsContact C-N 3.33Å
584	P	67.1	Low	68.2	Low	31 Å²	31	61.2 Å²	61.2	20%	0.201	33%	0.331	C	S	.	.			trans	-73.4	139.8	-177.6	31.1	-33.4	0	0	0	109.4	L581 V586 E587	L581-P584 HydrophobicContact CB-CB 4.34Å; P584-V586 WeakPolarHBondContact CB-O 3.37Å; P584-V586 PolarHBondContact O-N 2.95Å; P584-V586 VanDerWaalsContact O-N 3.16Å; P584-E587 HydrophobicContact CG-CG 4.49Å
585	P	80.7	Confident	67.5	Low	28 Å²	28	65.2 Å²	65.2	18%	0.182	36%	0.358	C	S	.	.	S	Bend	trans	-71.7	-4.7	176.6	31.8	-36.5	0	0	0	112.7	L415	L415-P585 PolarHBondContact N-O 3.12Å
586	V	84.5	Confident	67.5	Low	1 Å²	1	65.3 Å²	65.3	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.6	176.3	-169.9	0	0	0	0	108.8	V412 T413 F414 L421 L578 P584	V412-V586 HydrophobicContact CB-CG1 4.02Å; V412-V586 HydrophobicContact CG2-CG1 4.43Å; T413-V586 CarbonylContact O-C 3.57Å; T413-V586 VanDerWaalsContact O-CA 3.29Å; T413-V586 WeakPolarHBondContact O-CA 3.48Å; F414-V586 HydrophobicContact CD1-CG1 4.35Å; F414-V586 HydrophobicContact CD1-CG2 3.52Å; F414-V586 HydrophobicContact CD2-CG1 4.49Å; F414-V586 HydrophobicContact CE1-CG1 4.29Å; F414-V586 HydrophobicContact CE1-CG2 3.62Å; F414-V586 HydrophobicContact CE2-CG1 4.43Å; F414-V586 HydrophobicContact CG-CG1 4.44Å; F414-V586 HydrophobicContact CG-CG2 4.25Å; F414-V586 HydrophobicContact CZ-CG1 4.33Å; F414-V586 HydrophobicContact CZ-CG2 4.42Å; L421-V586 HydrophobicContact CD1-CG1 4.36Å; L421-V586 HydrophobicContact CD2-CB 4.36Å; L421-V586 HydrophobicContact CD2-CG1 4.36Å; L421-V586 HydrophobicContact CD2-CG2 4.25Å; L421-V586 HydrophobicContact CG-CG2 4.48Å; L578-V586 HydrophobicContact CD2-CB 3.67Å; L578-V586 HydrophobicContact CD2-CG1 3.68Å; L578-V586 WeakPolarHBondContact CD2-O 3.3Å; P584-V586 WeakPolarHBondContact CB-O 3.37Å; P584-V586 PolarHBondContact O-N 2.95Å; P584-V586 VanDerWaalsContact O-N 3.16Å
587	E	77.1	Confident	67.8	Low	49 Å²	49	65 Å²	65	23%	0.229	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.4	179.7	-72.8	-174.6	168.3	0	0	111.7	V412 T413 L415 P584	V412-E587 CarbonylContact C-O 3.43Å; V412-E587 VanDerWaalsContact CA-O 3.29Å; V412-E587 WeakPolarHBondContact CA-O 3.32Å; T413-E587 PolarHBondContact N-O 3.13Å; T413-E587 PolarHBondContact O-N 2.69Å; L415-E587 HydrophobicContact CD1-CG 3.69Å; L415-E587 HydrophobicContact CG-CG 4.29Å; P584-E587 HydrophobicContact CG-CG 4.49Å
588	V	73.6	Confident	67.6	Low	49 Å²	49	64.3 Å²	64.3	30%	0.297	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.1	172.7	-178.2	0	0	0	0	109.9	L311 V575 L578	L311-V588 HydrophobicContact CD2-CG1 3.9Å; V575-V588 HydrophobicContact CG2-CG1 4.38Å; V575-V588 HydrophobicContact CG2-CG2 4.12Å; L578-V588 HydrophobicContact CD1-CG2 3.27Å
589	G	70.6	Confident	67.1	Low	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.4	174.2	175.7	0	0	0	0	0	113.9	F407 S408 A411 T413	F407-G589 VanDerWaalsContact CE2-CA 3.46Å; S408-G589 CarbonylContact O-C 3.29Å; S408-G589 WeakPolarHBondContact O-CA 3.41Å; A411-G589 WeakPolarHBondContact O-CA 3.35Å; A411-G589 PolarHBondContact O-N 3.21Å; T413-G589 PolarHBondContact N-O 3.26Å; T413-G589 PolarHBondContact OG1-O 2.87Å
590	C	77.6	Confident	67.1	Low	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	128.4	-178	-176.1	0	0	0	0	110.8	F407 S408 A411 R439 W495 C561	F407-C590 CarbonylContact C-O 2.86Å; F407-C590 WeakPolarHBondContact CA-O 3.41Å; S408-C590 PolarHBondContact N-O 2.98Å; S408-C590 PolarHBondContact O-N 2.85Å; A411-C590 HydrophobicContact CB-CB 3.5Å; A411-C590 VanDerWaalsContact CB-CB 3.5Å; R439-C590 VanDerWaalsContact CZ-SG 3.59Å; R439-C590 PolarHBondContact NE-SG 2.81Å; R439-C590 PolarHBondContact NH2-SG 3.48Å; W495-C590 HydrophobicContact CH2-CB 4.46Å; W495-C590 HydrophobicContact CZ2-CB 4.28Å; C561-C590 HydrophobicContact CB-CB 3.63Å; C561-C590 WeakPolarHBondContact CB-SG 3.34Å; C561-C590 WeakPolarHBondContact SG-CB 3.44Å; C561-C590 CovalentContact SG-SG 2Å; C561-C590 PolarHBondContact SG-SG 2.87Å
591	Y	68.4	Low	68.1	Low	62 Å²	62	71.3 Å²	71.3	24%	0.243	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.3	-176.4	-54.2	-94	0	0	0	110.7	F407 R439 M593	F407-Y591 HydrophobicContact CB-CD1 4.11Å; F407-Y591 HydrophobicContact CB-CE1 4.21Å; F407-Y591 AromaticContact CD2-CD1 3.39Å; F407-Y591 HydrophobicContact CD2-CD1 3.39Å; F407-Y591 HydrophobicContact CD2-CD2 4.06Å; F407-Y591 AromaticContact CD2-CE1 3.07Å; F407-Y591 HydrophobicContact CD2-CE1 3.07Å; F407-Y591 AromaticContact CD2-CE2 3.78Å; F407-Y591 HydrophobicContact CD2-CE2 3.78Å; F407-Y591 AromaticContact CD2-CG 3.88Å; F407-Y591 HydrophobicContact CD2-CG 3.88Å; F407-Y591 AromaticContact CD2-CZ 3.27Å; F407-Y591 HydrophobicContact CE2-CD1 4.17Å; F407-Y591 HydrophobicContact CE2-CD2 4.25Å; F407-Y591 AromaticContact CE2-CE1 3.5Å; F407-Y591 HydrophobicContact CE2-CE1 3.5Å; F407-Y591 VanDerWaalsContact CE2-CE1 3.5Å; F407-Y591 AromaticContact CE2-CE2 3.57Å; F407-Y591 HydrophobicContact CE2-CE2 3.57Å; F407-Y591 AromaticContact CE2-CZ 3.13Å; F407-Y591 WeakPolarHBondContact CE2-OH 3.43Å; F407-Y591 HydrophobicContact CG-CD1 4.12Å; F407-Y591 AromaticContact CG-CE1 3.83Å; F407-Y591 HydrophobicContact CG-CE1 3.83Å; R439-Y591 PolarHBondContact NH2-O 2.87Å; Y591-M593 PolarHBondContact O-N 2.99Å
592	D	63.3	Low	69.2	Low	51 Å²	51	67.2 Å²	67.2	27%	0.273	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67	130.5	165	-65.5	-28	0	0	0	110.2	H405 S406 R439	H405-D592 HydrophobicContact CB-CB 4.38Å; H405-D592 PolarHBondContact ND1-O 3.43Å; S406-D592 VanDerWaalsContact CB-OD2 3.25Å; S406-D592 WeakPolarHBondContact CB-OD2 3.13Å; S406-D592 PolarHBondContact N-OD2 3.42Å; S406-D592 PolarHBondContact O-N 2.8Å; S406-D592 PolarHBondContact OG-OD1 2.85Å; S406-D592 PolarHBondContact OG-OD2 2.75Å; R439-D592 IonicContact CZ-OD1 3.76Å; R439-D592 IonicContact NH1-OD1 3.73Å; R439-D592 PolarHBondContact NH1-OD1 2.77Å; R439-D592 IonicContact NH2-OD1 3.15Å; R439-D592 PolarHBondContact NH2-OD1 2.97Å; R439-D592 VanDerWaalsContact NH2-OD1 3.14Å
593	M	62.9	Low	71.1	Confident	55 Å²	55	63.1 Å²	63.1	27%	0.271	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-84.5	127.9	-176.2	-63.2	-61	-49.6	0	0	109.8	Y591 W612 N613	Y591-M593 PolarHBondContact O-N 2.99Å; M593-W612 WeakPolarHBondContact CE-O 3.47Å; M593-W612 WeakPolarHBondContact CG-O 3.32Å; M593-N613 HydrophobicContact CE-CB 4.33Å; M593-N613 WeakPolarHBondContact CE-OD1 3.24Å; M593-N613 PolarHBondContact SD-OD1 2.87Å
594	L	58.4	Low	72.1	Confident	109 Å²	109	59.1 Å²	59.1	57%	0.571	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-62.2	142	167.4	-75.4	168.6	0	0	0	109	H405 Q596	H405-L594 WeakPolarHBondContact CE1-CD2 3.47Å; H405-L594 WeakPolarHBondContact CE1-CG 3.41Å; H405-L594 WeakPolarHBondContact NE2-CD2 3.49Å; L594-Q596 VanDerWaalsContact O-CG 3.28Å; L594-Q596 WeakPolarHBondContact O-CG 3.38Å; L594-Q596 PolarHBondContact O-N 3.17Å; L594-Q596 VanDerWaalsContact O-N 3.12Å
595	P	64.3	Low	72.7	Confident	95 Å²	95	66.4 Å²	66.4	62%	0.617	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-51.9	121.7	168.2	-23.6	32.9	0	0	0	109.2	E610	P595-E610 WeakPolarHBondContact CA-OE1 3.48Å
596	Q	68.5	Low	72.5	Confident	57 Å²	57	65.6 Å²	65.6	27%	0.266	34%	0.342	S	S	.	.			trans	-97.1	-19.2	-177	-56.4	-158.4	6.4	0	0	112.4	L594 G598 N613 S614 Y615	L594-Q596 VanDerWaalsContact O-CG 3.28Å; L594-Q596 WeakPolarHBondContact O-CG 3.38Å; L594-Q596 PolarHBondContact O-N 3.17Å; L594-Q596 VanDerWaalsContact O-N 3.12Å; Q596-G598 PolarHBondContact O-N 3.18Å; Q596-N613 PolarHBondContact NE2-O 2.8Å; Q596-N613 PolarHBondContact OE1-O 3.44Å; Q596-S614 PolarHBondContact OE1-O 2.88Å; Q596-Y615 HydrophobicContact CB-CD1 4Å
597	C	74.5	Confident	72.4	Confident	39 Å²	39	73.8 Å²	73.8	26%	0.264	37%	0.373	S	S	.	.			trans	-76.5	114	170	-70.7	0	0	0	0	109.5	C608 E610	C597-C608 WeakPolarHBondContact CA-SG 3.42Å; C597-C608 HydrophobicContact CB-CB 3.76Å; C597-C608 WeakPolarHBondContact CB-SG 2.98Å; C597-C608 VanDerWaalsContact SG-C 3.5Å; C597-C608 WeakPolarHBondContact SG-CB 3.25Å; C597-C608 CovalentContact SG-SG 2.04Å; C597-C608 PolarHBondContact SG-SG 3.43Å; C597-E610 HydrophobicContact CB-CG 4.22Å
598	G	69.7	Low	72.7	Confident	41 Å²	41	73 Å²	73	42%	0.423	37%	0.373	S	S	.	.			trans	-114.6	173.8	167.6	0	0	0	0	0	111.1	Q596 Y600 V601	Q596-G598 PolarHBondContact O-N 3.18Å; G598-Y600 PolarHBondContact O-N 3.1Å; G598-V601 PolarHBondContact O-N 3.25Å
599	D	62.6	Low	73.1	Confident	151 Å²	151	72.3 Å²	72.3	81%	0.807	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12.5	-168.3	-65.6	-27.1	0	0	0	116.2
600	Y	65.4	Low	73.3	Confident	209 Å²	209	75.3 Å²	75.3	82%	0.82	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.2	24.7	-173.4	-54.7	-77.8	0	0	0	114	G598	G598-Y600 PolarHBondContact O-N 3.1Å
601	V	79.3	Confident	73.3	Confident	32 Å²	32	75.9 Å²	75.9	19%	0.194	39%	0.386	C	S	.	.	S	Bend	trans	-73.9	-35.5	-177.3	173.9	0	0	0	0	112.4	G598 Y615 H628	G598-V601 PolarHBondContact O-N 3.25Å; V601-Y615 HydrophobicContact CB-CE2 4.46Å; V601-Y615 HydrophobicContact CG1-CD1 4.08Å; V601-Y615 HydrophobicContact CG1-CD2 3.18Å; V601-Y615 HydrophobicContact CG1-CE1 3.87Å; V601-Y615 HydrophobicContact CG1-CE2 2.95Å; V601-Y615 HydrophobicContact CG1-CG 3.74Å; V601-H628 PolarHBondContact O-ND1 3.16Å
602	C	82.3	Confident	73.7	Confident	19 Å²	19	73.2 Å²	73.2	13%	0.128	38%	0.376	C	S	.	.	S	Bend	trans	-110.8	128.8	176.3	-55.7	0	0	0	0	109.2	G606 C608 C617	C602-G606 WeakPolarHBondContact CB-O 3.14Å; C602-C608 WeakPolarHBondContact SG-CA 2.74Å; C602-C608 VanDerWaalsContact SG-CB 3.51Å; C602-C617 WeakPolarHBondContact CA-SG 3.13Å; C602-C617 HydrophobicContact CB-CB 3.74Å; C602-C617 WeakPolarHBondContact CB-SG 3.23Å; C602-C617 WeakPolarHBondContact SG-CA 3.22Å; C602-C617 WeakPolarHBondContact SG-CB 3.21Å; C602-C617 CovalentContact SG-SG 2.02Å; C602-C617 PolarHBondContact SG-SG 2.81Å
603	Q	83.3	Confident	74	Confident	101 Å²	101	73 Å²	73	47%	0.472	38%	0.375	S	S	.	.	S	Bend	trans	-80.7	167.1	177.7	-57.1	-172.3	22.1	0	0	110.7	E605 G606 H628 C629 E630	Q603-E605 PolarHBondContact O-N 2.9Å; Q603-E605 VanDerWaalsContact O-N 3.1Å; Q603-G606 PolarHBondContact O-N 3.31Å; Q603-H628 WeakPolarHBondContact CB-O 3.49Å; Q603-H628 PolarHBondContact N-O 3.14Å; Q603-C629 WeakPolarHBondContact O-CB 3.5Å; Q603-E630 HydrophobicContact CB-CB 4.5Å; Q603-E630 VanDerWaalsContact CD-CB 3.46Å; Q603-E630 HydrophobicContact CG-CB 4.28Å
604	N	79.2	Confident	74.3	Confident	62 Å²	62	73 Å²	73	33%	0.332	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	39.3	170.7	-55.4	-56.4	0	0	0	114.8	G606 V622 Y624 C629	N604-G606 PolarHBondContact O-N 2.91Å; N604-V622 WeakPolarHBondContact O-CG1 3.22Å; N604-Y624 HydrophobicContact CB-CD1 4Å; N604-Y624 HydrophobicContact CB-CD2 3.31Å; N604-Y624 HydrophobicContact CB-CE1 4.16Å; N604-Y624 HydrophobicContact CB-CE2 3.48Å; N604-Y624 VanDerWaalsContact CB-CE2 3.48Å; N604-Y624 HydrophobicContact CB-CG 3.6Å; N604-Y624 VanDerWaalsContact CG-CE1 3.41Å; N604-Y624 VanDerWaalsContact CG-CZ 3.43Å; N604-Y624 WeakPolarHBondContact ND2-CD1 3.47Å; N604-Y624 VanDerWaalsContact ND2-CE1 3.25Å; N604-Y624 WeakPolarHBondContact ND2-CE1 3.12Å; N604-C629 PolarHBondContact ND2-O 3.22Å
605	E	80.2	Confident	75.1	Confident	185 Å²	185	71.7 Å²	71.7	86%	0.864	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	16.8	-179.5	-54.5	-177.1	179.8	0	0	114.7	Q603 R607 V622	Q603-E605 PolarHBondContact O-N 2.9Å; Q603-E605 VanDerWaalsContact O-N 3.1Å; E605-R607 PolarHBondContact O-N 3.48Å; E605-V622 HydrophobicContact CB-CG1 4.36Å
606	G	76.5	Confident	75.7	Confident	11 Å²	11	72.1 Å²	72.1	11%	0.113	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-55.2	138.6	169.5	0	0	0	0	0	111.4	C602 Q603 N604 C608	C602-G606 WeakPolarHBondContact CB-O 3.14Å; Q603-G606 PolarHBondContact O-N 3.31Å; N604-G606 PolarHBondContact O-N 2.91Å; G606-C608 PolarHBondContact O-N 2.87Å
607	R	82.9	Confident	76.2	Confident	172 Å²	172	70.2 Å²	70.2	65%	0.649	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.3	-178.1	177.1	180	177.6	170.1	-0.8	109.8	E605 V609 D618	E605-R607 PolarHBondContact O-N 3.48Å; R607-V609 HydrophobicContact CG-CG2 4.35Å; R607-V609 PolarHBondContact O-N 3.5Å; R607-D618 HydrophobicContact CB-CB 4.23Å; R607-D618 PolarHBondContact N-O 3.4Å; R607-D618 PolarHBondContact O-N 3.35Å
608	C	84.4	Confident	76	Confident	33 Å²	33	70.8 Å²	70.8	22%	0.223	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.6	170.9	-169.5	0	0	0	0	110.4	C597 C602 G606	C597-C608 WeakPolarHBondContact CA-SG 3.42Å; C597-C608 HydrophobicContact CB-CB 3.76Å; C597-C608 WeakPolarHBondContact CB-SG 2.98Å; C597-C608 VanDerWaalsContact SG-C 3.5Å; C597-C608 WeakPolarHBondContact SG-CB 3.25Å; C597-C608 CovalentContact SG-SG 2.04Å; C597-C608 PolarHBondContact SG-SG 3.43Å; C602-C608 WeakPolarHBondContact SG-CA 2.74Å; C602-C608 VanDerWaalsContact SG-CB 3.51Å; G606-C608 PolarHBondContact O-N 2.87Å
609	V	80	Confident	76	Confident	35 Å²	35	69.7 Å²	69.7	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.1	175.2	-171.3	0	0	0	0	108.4	R607 Y615 R616 D618	R607-V609 HydrophobicContact CG-CG2 4.35Å; R607-V609 PolarHBondContact O-N 3.5Å; V609-Y615 WeakPolarHBondContact O-CA 3.39Å; V609-R616 HydrophobicContact CB-CG 4.02Å; V609-R616 PolarHBondContact N-O 3.42Å; V609-R616 PolarHBondContact O-N 3.3Å; V609-D618 HydrophobicContact CG2-CB 3.86Å
610	E	76.4	Confident	75.8	Confident	62 Å²	62	67.3 Å²	67.3	29%	0.29	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.7	176.6	-64.2	-168.6	144.9	0	0	110.9	K441 P595 C597	K441-E610 HydrophobicContact CD-CB 4.09Å; K441-E610 IonicContact NZ-OE2 3.36Å; K441-E610 PolarHBondContact NZ-OE2 2.6Å; P595-E610 WeakPolarHBondContact CA-OE1 3.48Å; C597-E610 HydrophobicContact CB-CG 4.22Å
611	S	76.1	Confident	75.6	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.084	32%	0.318	C	S	.	.			trans	-121.1	172.7	173	151.8	0	0	0	0	108.4	E442 S614	E442-S611 WeakPolarHBondContact OE1-CA 3.46Å; E442-S611 WeakPolarHBondContact OE1-CB 3.33Å; E442-S611 PolarHBondContact OE1-OG 3.35Å; S611-S614 CarbonylContact C-O 3.57Å; S611-S614 WeakPolarHBondContact CA-O 3.47Å; S611-S614 VanDerWaalsContact CB-O 3.25Å; S611-S614 WeakPolarHBondContact CB-O 3.37Å; S611-S614 VanDerWaalsContact CB-OG 3.22Å; S611-S614 WeakPolarHBondContact CB-OG 3.43Å; S611-S614 PolarHBondContact N-O 2.69Å; S611-S614 PolarHBondContact OG-OG 2.85Å
612	W	78.2	Confident	74.5	Confident	7 Å²	7	61.5 Å²	61.5	3%	0.027	32%	0.318	C	S	.	.	S	Bend	trans	-60.1	-49.7	-175.7	-172.2	-112.4	0	0	0	113	R439 T440 K441 E442 I559 G560 C561 M593	R439-W612 HydrophobicContact CB-CH2 4.05Å; R439-W612 HydrophobicContact CB-CZ3 4.45Å; R439-W612 HydrophobicContact CG-CH2 3.39Å; R439-W612 HydrophobicContact CG-CZ2 3.91Å; R439-W612 HydrophobicContact CG-CZ3 4.24Å; T440-W612 VanDerWaalsContact CA-CZ3 3.49Å; K441-W612 HydrophobicContact CB-CE3 4.5Å; K441-W612 HydrophobicContact CG-CE3 4.37Å; E442-W612 PolarHBondContact OE1-N 3.5Å; I559-W612 HydrophobicContact CG2-CB 3.87Å; I559-W612 HydrophobicContact CG2-CG 4.36Å; G560-W612 VanDerWaalsContact CA-CD1 3.42Å; C561-W612 HydrophobicContact CB-CZ2 4.16Å; C561-W612 WeakPolarHBondContact SG-CZ2 3.43Å; M593-W612 WeakPolarHBondContact CE-O 3.47Å; M593-W612 WeakPolarHBondContact CG-O 3.32Å
613	N	68.3	Low	73	Confident	47 Å²	47	67.4 Å²	67.4	25%	0.251	34%	0.342	S	S	.	.	S	Bend	trans	-122.8	8.4	179	-78.6	-47.5	0	0	0	112.9	L415 M593 Q596	L415-N613 WeakPolarHBondContact CD2-ND2 3.33Å; M593-N613 HydrophobicContact CE-CB 4.33Å; M593-N613 WeakPolarHBondContact CE-OD1 3.24Å; M593-N613 PolarHBondContact SD-OD1 2.87Å; Q596-N613 PolarHBondContact NE2-O 2.8Å; Q596-N613 PolarHBondContact OE1-O 3.44Å
614	S	70.9	Confident	71.8	Confident	54 Å²	54	66.7 Å²	66.7	38%	0.378	34%	0.335	S	S	.	.	S	Bend	trans	-143.2	-173.9	-175.8	78.9	0	0	0	0	110.7	Q596 S611	Q596-S614 PolarHBondContact OE1-O 2.88Å; S611-S614 CarbonylContact C-O 3.57Å; S611-S614 WeakPolarHBondContact CA-O 3.47Å; S611-S614 VanDerWaalsContact CB-O 3.25Å; S611-S614 WeakPolarHBondContact CB-O 3.37Å; S611-S614 VanDerWaalsContact CB-OG 3.22Å; S611-S614 WeakPolarHBondContact CB-OG 3.43Å; S611-S614 PolarHBondContact N-O 2.69Å; S611-S614 PolarHBondContact OG-OG 2.85Å
615	Y	74.4	Confident	70.7	Confident	81 Å²	81	65.1 Å²	65.1	32%	0.318	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.6	161.2	59.1	-92.3	0	0	0	107.4	Q596 V601 V609 H628	Q596-Y615 HydrophobicContact CB-CD1 4Å; V601-Y615 HydrophobicContact CB-CE2 4.46Å; V601-Y615 HydrophobicContact CG1-CD1 4.08Å; V601-Y615 HydrophobicContact CG1-CD2 3.18Å; V601-Y615 HydrophobicContact CG1-CE1 3.87Å; V601-Y615 HydrophobicContact CG1-CE2 2.95Å; V601-Y615 HydrophobicContact CG1-CG 3.74Å; V609-Y615 WeakPolarHBondContact O-CA 3.39Å; Y615-H628 AromaticContact CE2-CE1 3.56Å; Y615-H628 AromaticContact CE2-ND1 3.71Å; Y615-H628 AromaticContact CZ-CE1 3.78Å; Y615-H628 PolarHBondContact OH-CE1 2.86Å
616	R	76.8	Confident	69.7	Low	104 Å²	104	57.5 Å²	57.5	39%	0.392	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.8	166.8	67.9	-175	-178.5	-75.9	3	109.5	V609	V609-R616 HydrophobicContact CB-CG 4.02Å; V609-R616 PolarHBondContact N-O 3.42Å; V609-R616 PolarHBondContact O-N 3.3Å
617	C	79	Confident	69.3	Low	18 Å²	18	63.4 Å²	63.4	12%	0.122	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118	173	-62.3	0	0	0	0	109.4	C602 C619 D627 C629	C602-C617 WeakPolarHBondContact CA-SG 3.13Å; C602-C617 HydrophobicContact CB-CB 3.74Å; C602-C617 WeakPolarHBondContact CB-SG 3.23Å; C602-C617 WeakPolarHBondContact SG-CA 3.22Å; C602-C617 WeakPolarHBondContact SG-CB 3.21Å; C602-C617 CovalentContact SG-SG 2.02Å; C602-C617 PolarHBondContact SG-SG 2.81Å; C617-C619 PolarHBondContact O-N 2.95Å; C617-D627 WeakPolarHBondContact CB-O 3.27Å; C617-D627 PolarHBondContact SG-O 3.33Å; C617-C629 VanDerWaalsContact CB-SG 3.54Å
618	D	71.3	Confident	69.3	Low	50 Å²	50	58.1 Å²	58.1	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	101.3	168.3	176.6	8.5	0	0	0	108.4	R607 V609 T620	R607-D618 HydrophobicContact CB-CB 4.23Å; R607-D618 PolarHBondContact N-O 3.4Å; R607-D618 PolarHBondContact O-N 3.35Å; V609-D618 HydrophobicContact CG2-CB 3.86Å; D618-T620 VanDerWaalsContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.28Å; D618-T620 VanDerWaalsContact OD1-CG2 3.27Å; D618-T620 WeakPolarHBondContact OD1-CG2 3.04Å; D618-T620 PolarHBondContact OD1-N 3.34Å; D618-T620 PolarHBondContact OD1-OG1 3.19Å
619	C	69.3	Low	68.7	Low	18 Å²	18	56.6 Å²	56.6	12%	0.122	30%	0.301	C	S	.	.			trans	-92.2	2.7	178.4	-43.7	0	0	0	0	112.8	C617 S621 V622 Y624 C629	C617-C619 PolarHBondContact O-N 2.95Å; C619-S621 PolarHBondContact O-N 3.25Å; C619-V622 HydrophobicContact CB-CG2 3.95Å; C619-V622 WeakPolarHBondContact O-CG2 3.12Å; C619-V622 PolarHBondContact O-N 2.69Å; C619-Y624 WeakPolarHBondContact CB-O 3.4Å; C619-C629 VanDerWaalsContact CA-SG 3.51Å; C619-C629 HydrophobicContact CB-CB 3.94Å; C619-C629 WeakPolarHBondContact CB-SG 3.05Å; C619-C629 WeakPolarHBondContact SG-CA 3.16Å; C619-C629 WeakPolarHBondContact SG-CB 3.5Å; C619-C629 CovalentContact SG-SG 2.04Å; C619-C629 PolarHBondContact SG-SG 3.48Å
620	T	57.9	Low	68.6	Low	102 Å²	102	58 Å²	58	63%	0.626	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.8	-171.6	59.9	0	0	0	0	114.1	D618	D618-T620 VanDerWaalsContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.28Å; D618-T620 VanDerWaalsContact OD1-CG2 3.27Å; D618-T620 WeakPolarHBondContact OD1-CG2 3.04Å; D618-T620 PolarHBondContact OD1-N 3.34Å; D618-T620 PolarHBondContact OD1-OG1 3.19Å
621	S	61.2	Low	67.9	Low	89 Å²	89	59.2 Å²	59.2	62%	0.622	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.3	178.8	54.1	0	0	0	0	113.9	C619	C619-S621 PolarHBondContact O-N 3.25Å
622	V	55.1	Low	66.6	Low	30 Å²	30	60.8 Å²	60.8	18%	0.182	32%	0.322	C	S	.	.	S	Bend	trans	-128	152.6	-177.6	-59.9	0	0	0	0	111	N604 E605 C619 Y624 C629	N604-V622 WeakPolarHBondContact O-CG1 3.22Å; E605-V622 HydrophobicContact CB-CG1 4.36Å; C619-V622 HydrophobicContact CB-CG2 3.95Å; C619-V622 WeakPolarHBondContact O-CG2 3.12Å; C619-V622 PolarHBondContact O-N 2.69Å; V622-Y624 PolarHBondContact O-N 3.06Å; V622-C629 HydrophobicContact CG2-CB 4.34Å
623	F	52.3	Low	65	Low	143 Å²	143	61.9 Å²	61.9	63%	0.627	33%	0.332	S	S	*	.	S	Bend	trans	-78.7	34.8	-178.2	-69.3	-77.8	0	0	0	113.8	A633	F623-A633 WeakPolarHBondContact O-CB 3.43Å; F623-A633 PolarHBondContact O-N 2.81Å
624	Y	58.2	Low	63.5	Low	86 Å²	86	66.4 Å²	66.4	34%	0.337	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.6	-176.7	-66.7	-96.3	0	0	0	110.4	N604 C619 V622 C629 Q631	N604-Y624 HydrophobicContact CB-CD1 4Å; N604-Y624 HydrophobicContact CB-CD2 3.31Å; N604-Y624 HydrophobicContact CB-CE1 4.16Å; N604-Y624 HydrophobicContact CB-CE2 3.48Å; N604-Y624 VanDerWaalsContact CB-CE2 3.48Å; N604-Y624 HydrophobicContact CB-CG 3.6Å; N604-Y624 VanDerWaalsContact CG-CE1 3.41Å; N604-Y624 VanDerWaalsContact CG-CZ 3.43Å; N604-Y624 WeakPolarHBondContact ND2-CD1 3.47Å; N604-Y624 VanDerWaalsContact ND2-CE1 3.25Å; N604-Y624 WeakPolarHBondContact ND2-CE1 3.12Å; C619-Y624 WeakPolarHBondContact CB-O 3.4Å; V622-Y624 PolarHBondContact O-N 3.06Å; Y624-C629 WeakPolarHBondContact CB-O 3.41Å; Y624-Q631 CarbonylContact C-O 3.53Å; Y624-Q631 WeakPolarHBondContact CA-O 3.39Å; Y624-Q631 WeakPolarHBondContact CB-O 3.23Å; Y624-Q631 WeakPolarHBondContact CD1-O 3.39Å
625	S	56.4	Low	61.7	Low	29 Å²	29	68.4 Å²	68.4	20%	0.203	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	-174.2	178.5	65.3	0	0	0	0	110.2	C629 E630 Q631	S625-C629 CarbonylContact O-C 3.56Å; S625-C629 VanDerWaalsContact O-C 3.29Å; S625-C629 VanDerWaalsContact O-CA 3.25Å; S625-C629 WeakPolarHBondContact O-CA 3.39Å; S625-E630 PolarHBondContact O-N 3.34Å; S625-Q631 PolarHBondContact N-O 2.9Å; S625-Q631 WeakPolarHBondContact O-CA 3.48Å; S625-Q631 WeakPolarHBondContact O-CB 3.2Å; S625-Q631 PolarHBondContact O-N 3.43Å
626	G	57.9	Low	59.6	Low	25 Å²	25	66.8 Å²	66.8	26%	0.258	38%	0.378	S	S	.	.	S	Bend	trans	91	166	-172.1	0	0	0	0	0	112.4	H628 C629	G626-H628 PolarHBondContact O-N 2.95Å; G626-H628 VanDerWaalsContact O-N 3.12Å; G626-C629 PolarHBondContact O-N 2.62Å; G626-C629 VanDerWaalsContact O-N 3.13Å
627	D	69.1	Low	57.4	Low	134 Å²	134	65 Å²	65	72%	0.717	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.1	-173	-64.7	-27	0	0	0	112.8	C617	C617-D627 WeakPolarHBondContact CB-O 3.27Å; C617-D627 PolarHBondContact SG-O 3.33Å
628	H	81.4	Confident	55	Low	62 Å²	62	66.7 Å²	66.7	29%	0.287	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	17.9	178.6	-54.3	-70.5	0	0	0	113	V601 Q603 Y615 G626 E630	V601-H628 PolarHBondContact O-ND1 3.16Å; Q603-H628 WeakPolarHBondContact CB-O 3.49Å; Q603-H628 PolarHBondContact N-O 3.14Å; Y615-H628 AromaticContact CE2-CE1 3.56Å; Y615-H628 AromaticContact CE2-ND1 3.71Å; Y615-H628 AromaticContact CZ-CE1 3.78Å; Y615-H628 PolarHBondContact OH-CE1 2.86Å; G626-H628 PolarHBondContact O-N 2.95Å; G626-H628 VanDerWaalsContact O-N 3.12Å; H628-E630 VanDerWaalsContact C-OE2 3.22Å; H628-E630 WeakPolarHBondContact CA-OE2 3.5Å; H628-E630 VanDerWaalsContact CB-OE2 3.31Å; H628-E630 WeakPolarHBondContact CB-OE2 3.38Å; H628-E630 PolarHBondContact N-OE2 3.05Å; H628-E630 PolarHBondContact O-N 3.4Å
629	C	73.3	Confident	53.2	Low	0 Å²	0	66.5 Å²	66.5	0%	0	38%	0.38	C	S	.	.	S	Bend	trans	54	30.3	-172.7	-43.5	0	0	0	0	113.2	Q603 N604 C617 C619 V622 Y624 S625 G626	Q603-C629 WeakPolarHBondContact O-CB 3.5Å; N604-C629 PolarHBondContact ND2-O 3.22Å; C617-C629 VanDerWaalsContact CB-SG 3.54Å; C619-C629 VanDerWaalsContact CA-SG 3.51Å; C619-C629 HydrophobicContact CB-CB 3.94Å; C619-C629 WeakPolarHBondContact CB-SG 3.05Å; C619-C629 WeakPolarHBondContact SG-CA 3.16Å; C619-C629 WeakPolarHBondContact SG-CB 3.5Å; C619-C629 CovalentContact SG-SG 2.04Å; C619-C629 PolarHBondContact SG-SG 3.48Å; V622-C629 HydrophobicContact CG2-CB 4.34Å; Y624-C629 WeakPolarHBondContact CB-O 3.41Å; S625-C629 CarbonylContact O-C 3.56Å; S625-C629 VanDerWaalsContact O-C 3.29Å; S625-C629 VanDerWaalsContact O-CA 3.25Å; S625-C629 WeakPolarHBondContact O-CA 3.39Å; G626-C629 PolarHBondContact O-N 2.62Å; G626-C629 VanDerWaalsContact O-N 3.13Å
630	E	76.7	Confident	51.4	Low	65 Å²	65	70.5 Å²	70.5	30%	0.304	40%	0.395	S	S	.	.			trans	-86.3	-20.7	-176.5	75.1	-71.4	172.9	0	0	113.1	Q603 S625 H628	Q603-E630 HydrophobicContact CB-CB 4.5Å; Q603-E630 VanDerWaalsContact CD-CB 3.46Å; Q603-E630 HydrophobicContact CG-CB 4.28Å; S625-E630 PolarHBondContact O-N 3.34Å; H628-E630 VanDerWaalsContact C-OE2 3.22Å; H628-E630 WeakPolarHBondContact CA-OE2 3.5Å; H628-E630 VanDerWaalsContact CB-OE2 3.31Å; H628-E630 WeakPolarHBondContact CB-OE2 3.38Å; H628-E630 PolarHBondContact N-OE2 3.05Å; H628-E630 PolarHBondContact O-N 3.4Å
631	Q	61.7	Low	50.4	Low	87 Å²	87	67.2 Å²	67.2	41%	0.407	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.9	-176	-57.3	174	29.4	0	0	107.4	Y624 S625 A633	Y624-Q631 CarbonylContact C-O 3.53Å; Y624-Q631 WeakPolarHBondContact CA-O 3.39Å; Y624-Q631 WeakPolarHBondContact CB-O 3.23Å; Y624-Q631 WeakPolarHBondContact CD1-O 3.39Å; S625-Q631 PolarHBondContact N-O 2.9Å; S625-Q631 WeakPolarHBondContact O-CA 3.48Å; S625-Q631 WeakPolarHBondContact O-CB 3.2Å; S625-Q631 PolarHBondContact O-N 3.43Å; Q631-A633 PolarHBondContact O-N 2.75Å; Q631-A633 VanDerWaalsContact O-N 3.12Å
632	S	48.9	Very low	49.1	Very low	46 Å²	46	65 Å²	65	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	125.1	167.5	-175	0	0	0	0	107.3	L634 S635	S632-L634 PolarHBondContact O-N 2.8Å; S632-S635 PolarHBondContact O-N 2.66Å
633	A	45.3	Very low	48.1	Very low	29 Å²	29	65.8 Å²	65.8	24%	0.24	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-10.1	-179.4	0	0	0	0	0	112.3	F623 Q631 S635 F638	F623-A633 WeakPolarHBondContact O-CB 3.43Å; F623-A633 PolarHBondContact O-N 2.81Å; Q631-A633 PolarHBondContact O-N 2.75Å; Q631-A633 VanDerWaalsContact O-N 3.12Å; A633-S635 VanDerWaalsContact C-N 3.34Å; A633-F638 WeakPolarHBondContact O-CZ 3.3Å
634	L	36.8	Very low	47	Very low	143 Å²	143	61.3 Å²	61.3	75%	0.749	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.4	172.4	-68.7	162.7	0	0	0	115.1	S632	S632-L634 PolarHBondContact O-N 2.8Å
635	S	33.1	Very low	45.5	Very low	95 Å²	95	59.1 Å²	59.1	66%	0.664	34%	0.337	S	S	*	.	S	Bend	trans	-131.7	75.5	-173.9	-176.6	0	0	0	0	113.8	S632 A633	S632-S635 PolarHBondContact O-N 2.66Å; A633-S635 VanDerWaalsContact C-N 3.34Å
636	G	29.2	Very low	44	Very low	48 Å²	48	60.9 Å²	60.9	50%	0.495	34%	0.344	S	S	.	.	S	Bend	trans	116.8	79.6	151.9	0	0	0	0	0	116.3
637	N	31.2	Very low	42.5	Very low	66 Å²	66	63.8 Å²	63.8	35%	0.353	35%	0.353	S	S	.	.			trans	178.5	42	139.7	-86.4	-22	0	0	0	111	I639	N637-I639 PolarHBondContact O-N 2.99Å
638	F	29.4	Very low	40.6	Very low	54 Å²	54	64.6 Å²	64.6	24%	0.237	35%	0.351	C	S	.	.			trans	-78.4	111.9	176.5	-65.4	-69.4	0	0	0	110.6	A633	A633-F638 WeakPolarHBondContact O-CZ 3.3Å
639	I	32.8	Very low	38.1	Very low	45 Å²	45	66.7 Å²	66.7	23%	0.231	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	103.7	160.8	-68.7	162.4	0	0	0	106.8	N637 I641 L737 F758	N637-I639 PolarHBondContact O-N 2.99Å; I639-I641 HydrophobicContact CG2-CD1 4.3Å; I639-I641 HydrophobicContact CG2-CG1 3.82Å; I639-L737 HydrophobicContact CB-CD2 4.46Å; I639-L737 HydrophobicContact CD1-CB 4.06Å; I639-L737 HydrophobicContact CD1-CD2 3.34Å; I639-L737 HydrophobicContact CD1-CG 4.17Å; I639-L737 HydrophobicContact CG1-CD2 4.41Å; I639-F758 HydrophobicContact CD1-CD1 4.02Å; I639-F758 HydrophobicContact CD1-CE1 3.69Å
640	K	32.3	Very low	36.1	Very low	102 Å²	102	69.4 Å²	69.4	44%	0.443	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.4	170.1	-173.2	-175.3	175.7	-131.6	0	108.1	D642 S766	K640-D642 WeakPolarHBondContact CE-OD1 3.27Å; K640-D642 IonicContact NZ-OD1 3.39Å; K640-D642 PolarHBondContact NZ-OD1 3.16Å; K640-D642 IonicContact NZ-OD2 2.73Å; K640-D642 PolarHBondContact NZ-OD2 2.8Å; K640-S766 PolarHBondContact NZ-O 2.98Å
641	I	35.5	Very low	34	Very low	33 Å²	33	68.1 Å²	68.1	17%	0.169	40%	0.395	C	S	.	.			trans	-108.6	117.3	174.7	-49.1	173.2	0	0	0	107.6	I639 V696 G697 F722 I726	I639-I641 HydrophobicContact CG2-CD1 4.3Å; I639-I641 HydrophobicContact CG2-CG1 3.82Å; I641-V696 HydrophobicContact CD1-CB 4.14Å; I641-V696 HydrophobicContact CD1-CG1 3.68Å; I641-G697 VanDerWaalsContact CD1-CA 3.47Å; I641-F722 VanDerWaalsContact O-O 3.11Å; I641-I726 HydrophobicContact CD1-CD1 4.49Å
642	D	34	Very low	32.8	Very low	43 Å²	43	67.7 Å²	67.7	23%	0.23	39%	0.392	C	S	.	.			trans	-92.8	143.2	-175.3	-89.7	-39.1	0	0	0	113.1	K640	K640-D642 WeakPolarHBondContact CE-OD1 3.27Å; K640-D642 IonicContact NZ-OD1 3.39Å; K640-D642 PolarHBondContact NZ-OD1 3.16Å; K640-D642 IonicContact NZ-OD2 2.73Å; K640-D642 PolarHBondContact NZ-OD2 2.8Å
643	H	35	Very low	32.2	Very low	46 Å²	46	69.1 Å²	69.1	21%	0.213	40%	0.399	C	S	.	.	S	Bend	trans	100.3	89	158.3	-49	-72.8	0	0	0	121.6	R721 D768 E770	H643-R721 WeakPolarHBondContact O-CB 3.25Å; H643-R721 WeakPolarHBondContact O-CD 3.49Å; H643-R721 WeakPolarHBondContact O-CG 3.09Å; H643-D768 IonicContact CE1-OD2 3.74Å; H643-D768 PolarHBondContact CE1-OD2 2.76Å; H643-D768 IonicContact ND1-OD2 3.17Å; H643-D768 PolarHBondContact ND1-OD2 3.42Å; H643-D768 IonicContact NE2-OD2 3.64Å; H643-E770 IonicContact CE1-OE2 2.75Å
644	S	28.3	Very low	32.1	Very low	49 Å²	49	74.4 Å²	74.4	34%	0.343	42%	0.423	S	S	.	.			trans	99.9	92.2	142.8	-18.5	0	0	0	0	119.3	S720 R721 R908	S644-S720 CarbonylContact O-C 3.33Å; S644-S720 VanDerWaalsContact O-CA 3.3Å; S644-S720 WeakPolarHBondContact O-CA 3.38Å; S644-S720 WeakPolarHBondContact O-CB 3.42Å; S644-R721 CarbonylContact C-O 3.59Å; S644-R721 PolarHBondContact N-O 2.79Å; S644-R721 CarbonylContact O-C 3.48Å; S644-R721 PolarHBondContact O-N 2.94Å; S644-R908 PolarHBondContact OG-NH2 3.43Å
645	L	27.1	Very low	32.3	Very low	41 Å²	41	72.7 Å²	72.7	22%	0.215	41%	0.414	C	S	.	.			trans	15.1	123.4	163.7	-81.6	-175.7	0	0	0	124.5	S720 R721 G904 V905 P906	L645-S720 WeakPolarHBondContact O-CB 3.23Å; L645-S720 PolarHBondContact O-OG 2.91Å; L645-R721 PolarHBondContact N-O 3.23Å; L645-R721 VanDerWaalsContact N-O 3.16Å; L645-G904 VanDerWaalsContact CD1-O 3.25Å; L645-G904 WeakPolarHBondContact CD1-O 3.44Å; L645-G904 WeakPolarHBondContact CD2-O 3.13Å; L645-V905 VanDerWaalsContact CD1-CA 3.44Å; L645-V905 HydrophobicContact CD1-CB 4.44Å; L645-V905 HydrophobicContact CD1-CG2 4.44Å; L645-P906 HydrophobicContact CD1-CG 4.06Å; L645-P906 HydrophobicContact CG-CG 3.78Å
646	L	25.6	Very low	32.9	Very low	66 Å²	66	72.8 Å²	72.8	35%	0.346	40%	0.404	S	S	.	.			trans	-113.6	139.4	138	-122.4	147.6	0	0	0	109.7	I717 D718 S720	L646-I717 HydrophobicContact CD1-CG2 4.02Å; L646-I717 HydrophobicContact CD2-CB 4.43Å; L646-I717 HydrophobicContact CD2-CG1 4.38Å; L646-I717 HydrophobicContact CD2-CG2 4.18Å; L646-D718 WeakPolarHBondContact CD1-O 2.91Å; L646-S720 WeakPolarHBondContact CD1-OG 3.1Å; L646-S720 WeakPolarHBondContact CG-OG 3.24Å; L646-S720 PolarHBondContact N-OG 3Å
647	N	26.7	Very low	34	Very low	86 Å²	86	73 Å²	73	46%	0.46	39%	0.392	S	S	.	.			trans	-91.5	115.1	-165.2	-159.5	5.2	0	0	0	111
648	F	29.1	Very low	34.7	Very low	150 Å²	150	72.8 Å²	72.8	66%	0.658	40%	0.395	S	S	*	.			trans	-110.1	88.8	162.6	-75.1	-81.6	0	0	0	108	G650	F648-G650 PolarHBondContact O-N 2.82Å
649	S	27.8	Very low	36.1	Very low	107 Å²	107	75 Å²	75	75%	0.748	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	104.6	173.2	59.2	0	0	0	0	109.9
650	G	31.7	Very low	36.9	Very low	57 Å²	57	73.5 Å²	73.5	59%	0.588	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.9	-11.5	173.9	0	0	0	0	0	116.9	F648	F648-G650 PolarHBondContact O-N 2.82Å
651	M	32.5	Very low	38.3	Very low	37 Å²	37	74.5 Å²	74.5	18%	0.182	41%	0.413	C	S	.	.			trans	-121.2	29.1	-168.7	-54.3	-169.4	84.5	0	0	114.2	T653 H657 I672	M651-T653 PolarHBondContact O-N 3.36Å; M651-H657 HydrophobicContact CE-CB 3.76Å; M651-H657 VanDerWaalsContact CE-CD2 3.48Å; M651-H657 WeakPolarHBondContact CE-CD2 3.2Å; M651-H657 VanDerWaalsContact CE-CE1 3.5Å; M651-H657 WeakPolarHBondContact CE-CE1 3.44Å; M651-H657 WeakPolarHBondContact CE-ND1 3.33Å; M651-I672 HydrophobicContact CE-CB 4.38Å; M651-I672 HydrophobicContact CE-CD1 3.59Å; M651-I672 HydrophobicContact CE-CG1 4.4Å; M651-I672 HydrophobicContact CE-CG2 3.32Å; M651-I672 HydrophobicContact SD-CD1 3.67Å
652	F	36.2	Very low	39.2	Very low	79 Å²	79	76.4 Å²	76.4	35%	0.346	42%	0.422	S	S	.	.			trans	-82.6	53.3	-174.4	-72.4	-78.3	0	0	0	114.3	L838	F652-L838 HydrophobicContact CB-CD2 4.1Å
653	T	36.1	Very low	40.5	Very low	75 Å²	75	79 Å²	79	46%	0.46	44%	0.435	S	S	.	.	S	Bend	trans	-111.6	146.4	158.1	49.5	0	0	0	0	107.1	M651 L655	M651-T653 PolarHBondContact O-N 3.36Å; T653-L655 HydrophobicContact CG2-CD1 4.2Å; T653-L655 PolarHBondContact O-N 2.77Å; T653-L655 WeakPolarHBondContact OG1-CB 3.31Å; T653-L655 VanDerWaalsContact OG1-CD1 3.29Å; T653-L655 WeakPolarHBondContact OG1-CD1 3.49Å; T653-L655 WeakPolarHBondContact OG1-CG 3.15Å
654	N	43.5	Very low	41.3	Very low	140 Å²	140	77.7 Å²	77.7	75%	0.749	43%	0.434	S	S	*	.	S	Bend	trans	-65.4	26.7	168.5	-77.7	-31	0	0	0	112.6
655	L	40.9	Very low	42.5	Very low	107 Å²	107	80 Å²	80	56%	0.56	44%	0.443	S	S	*	.			trans	-82.4	137.2	176.3	-65.7	173.4	0	0	0	108.6	T653 H657	T653-L655 HydrophobicContact CG2-CD1 4.2Å; T653-L655 PolarHBondContact O-N 2.77Å; T653-L655 WeakPolarHBondContact OG1-CB 3.31Å; T653-L655 VanDerWaalsContact OG1-CD1 3.29Å; T653-L655 WeakPolarHBondContact OG1-CD1 3.49Å; T653-L655 WeakPolarHBondContact OG1-CG 3.15Å; L655-H657 PolarHBondContact O-CD2 2.95Å; L655-H657 VanDerWaalsContact O-CD2 3.27Å
656	Q	47	Very low	44	Very low	98 Å²	98	85.5 Å²	85.5	46%	0.458	46%	0.461	S	S	.	.			trans	-66.8	134.2	168.2	-70.7	175.6	-29.2	0	0	108.9
657	H	51.4	Low	45.4	Very low	51 Å²	51	89 Å²	89	24%	0.236	47%	0.469	C	S	.	.			trans	-119.2	121	174.2	-65.8	-74	0	0	0	108.5	M651 L655 I672 S674	M651-H657 HydrophobicContact CE-CB 3.76Å; M651-H657 VanDerWaalsContact CE-CD2 3.48Å; M651-H657 WeakPolarHBondContact CE-CD2 3.2Å; M651-H657 VanDerWaalsContact CE-CE1 3.5Å; M651-H657 WeakPolarHBondContact CE-CE1 3.44Å; M651-H657 WeakPolarHBondContact CE-ND1 3.33Å; L655-H657 PolarHBondContact O-CD2 2.95Å; L655-H657 VanDerWaalsContact O-CD2 3.27Å; H657-I672 HydrophobicContact CB-CG2 4.12Å; H657-S674 PolarHBondContact CE1-OG 2.79Å; H657-S674 VanDerWaalsContact CE1-OG 3.31Å; H657-S674 PolarHBondContact ND1-OG 3.04Å
658	C	45.9	Very low	46.9	Very low	62 Å²	62	87.8 Å²	87.8	42%	0.419	46%	0.462	S	S	.	.			trans	-81.1	119.4	169	-55.5	0	0	0	0	107.9	I672 V673	C658-I672 WeakPolarHBondContact O-CA 3.3Å; C658-V673 HydrophobicContact CB-CB 4.31Å; C658-V673 HydrophobicContact CB-CG2 3.58Å; C658-V673 PolarHBondContact O-N 3.1Å
659	I	59	Low	48.2	Very low	102 Å²	102	82.7 Å²	82.7	52%	0.523	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.6	177	-57	173.2	0	0	0	107.3	F671	I659-F671 WeakPolarHBondContact CA-O 3.47Å
660	G	49.4	Very low	49.4	Very low	13 Å²	13	79.4 Å²	79.4	13%	0.134	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.9	171	0	0	0	0	0	110.8	C670 F671	G660-C670 VanDerWaalsContact O-CA 3.29Å; G660-C670 WeakPolarHBondContact O-CA 3.44Å; G660-F671 PolarHBondContact N-O 2.83Å; G660-F671 PolarHBondContact O-N 3.24Å
661	L	61.3	Low	50.5	Low	123 Å²	123	80.1 Å²	80.1	64%	0.644	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.3	169	-70.1	170.5	0	0	0	108.1	L668 E669 C670	L661-L668 HydrophobicContact CD2-CD1 4.35Å; L661-L668 HydrophobicContact CD2-CG 4.45Å; L661-E669 WeakPolarHBondContact CA-O 3.21Å; L661-C670 HydrophobicContact CD2-CB 3.83Å
662	Q	54.2	Low	51.7	Low	73 Å²	73	79.3 Å²	79.3	34%	0.341	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.5	175	-173.7	173.4	-33.3	0	0	109	N467 E669	N467-Q662 PolarHBondContact ND2-NE2 2.84Å; Q662-E669 HydrophobicContact CB-CB 4.35Å; Q662-E669 PolarHBondContact N-O 2.79Å; Q662-E669 PolarHBondContact O-N 3.26Å
663	L	61.8	Low	52.5	Low	96 Å²	96	80.2 Å²	80.2	50%	0.503	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.6	171.6	-170	75.6	0	0	0	108.2	L668 I682	L663-L668 HydrophobicContact CD1-CD1 4.1Å; L663-I682 HydrophobicContact CD1-CD1 3.4Å
664	G	51.5	Low	53.2	Low	19 Å²	19	80.2 Å²	80.2	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	139.5	177.9	0	0	0	0	0	111.2	W666 R667	G664-W666 VanDerWaalsContact C-N 3.31Å; G664-W666 PolarHBondContact O-N 3.07Å; G664-R667 PolarHBondContact N-O 3.49Å; G664-R667 WeakPolarHBondContact O-CB 3.46Å; G664-R667 PolarHBondContact O-N 3.24Å
665	N	54.9	Low	53.6	Low	99 Å²	99	78.2 Å²	78.2	53%	0.529	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	44.9	175.6	-65.1	-18.2	0	0	0	114.5	R667	N665-R667 PolarHBondContact O-N 2.78Å
666	W	56.9	Low	54	Low	156 Å²	156	75 Å²	75	59%	0.591	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	19.5	-178.6	-47.8	96.2	0	0	0	114.7	G664 I682	G664-W666 VanDerWaalsContact C-N 3.31Å; G664-W666 PolarHBondContact O-N 3.07Å; W666-I682 PolarHBondContact O-N 2.84Å
667	R	56.1	Low	54.3	Low	138 Å²	138	75.7 Å²	75.7	52%	0.521	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.5	175.5	-61.6	178.9	-178.2	178.6	-0.5	109.1	G664 N665	G664-R667 PolarHBondContact N-O 3.49Å; G664-R667 WeakPolarHBondContact O-CB 3.46Å; G664-R667 PolarHBondContact O-N 3.24Å; N665-R667 PolarHBondContact O-N 2.78Å
668	L	58.2	Low	54.5	Low	61 Å²	61	78.3 Å²	78.3	32%	0.319	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.6	163.4	-173.4	71.8	0	0	0	107	L661 L663 V680 I682	L661-L668 HydrophobicContact CD2-CD1 4.35Å; L661-L668 HydrophobicContact CD2-CG 4.45Å; L663-L668 HydrophobicContact CD1-CD1 4.1Å; L668-V680 PolarHBondContact N-O 3.04Å; L668-V680 PolarHBondContact O-N 3.03Å; L668-I682 HydrophobicContact CB-CD1 4.36Å
669	E	56.8	Low	54.8	Low	43 Å²	43	80.8 Å²	80.8	20%	0.201	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.7	173.3	-52	-167.6	143.2	0	0	107.8	L661 Q662 I677 Q679	L661-E669 WeakPolarHBondContact CA-O 3.21Å; Q662-E669 HydrophobicContact CB-CB 4.35Å; Q662-E669 PolarHBondContact N-O 2.79Å; Q662-E669 PolarHBondContact O-N 3.26Å; E669-I677 HydrophobicContact CB-CG2 4.28Å; E669-Q679 HydrophobicContact CG-CG 4.21Å; E669-Q679 PolarHBondContact OE1-NE2 3.24Å
670	C	51.7	Low	54.8	Low	38 Å²	38	80.2 Å²	80.2	26%	0.257	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.2	170.5	-176.2	0	0	0	0	107.2	G660 L661 F678	G660-C670 VanDerWaalsContact O-CA 3.29Å; G660-C670 WeakPolarHBondContact O-CA 3.44Å; L661-C670 HydrophobicContact CD2-CB 3.83Å; C670-F678 PolarHBondContact N-O 2.98Å; C670-F678 WeakPolarHBondContact O-CA 3.49Å; C670-F678 PolarHBondContact O-N 3.38Å
671	F	55.5	Low	54.9	Low	73 Å²	73	82.5 Å²	82.5	32%	0.32	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140	173.5	62.7	-92.7	0	0	0	110.4	I659 G660 G676 I677	I659-F671 WeakPolarHBondContact CA-O 3.47Å; G660-F671 PolarHBondContact N-O 2.83Å; G660-F671 PolarHBondContact O-N 3.24Å; F671-G676 WeakPolarHBondContact CA-O 3.49Å; F671-I677 HydrophobicContact CB-CB 4.29Å; F671-I677 HydrophobicContact CB-CG1 3.88Å; F671-I677 HydrophobicContact CB-CG2 4.41Å
672	I	58	Low	54.7	Low	20 Å²	20	79.7 Å²	79.7	10%	0.103	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.3	171.5	-56.4	-177	0	0	0	104.9	M651 H657 C658 S674 Q675 G676	M651-I672 HydrophobicContact CE-CB 4.38Å; M651-I672 HydrophobicContact CE-CD1 3.59Å; M651-I672 HydrophobicContact CE-CG1 4.4Å; M651-I672 HydrophobicContact CE-CG2 3.32Å; M651-I672 HydrophobicContact SD-CD1 3.67Å; H657-I672 HydrophobicContact CB-CG2 4.12Å; C658-I672 WeakPolarHBondContact O-CA 3.3Å; I672-S674 PolarHBondContact O-N 3.25Å; I672-Q675 HydrophobicContact CB-CB 4.24Å; I672-Q675 PolarHBondContact O-N 2.97Å; I672-G676 PolarHBondContact N-O 3.18Å; I672-G676 PolarHBondContact O-N 3.27Å
673	V	51.5	Low	54.4	Low	97 Å²	97	82.3 Å²	82.3	59%	0.588	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-29.4	-173.5	167.8	0	0	0	0	113	C658	C658-V673 HydrophobicContact CB-CB 4.31Å; C658-V673 HydrophobicContact CB-CG2 3.58Å; C658-V673 PolarHBondContact O-N 3.1Å
674	S	51.4	Low	54	Low	75 Å²	75	80.7 Å²	80.7	52%	0.524	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.6	177.6	61.9	0	0	0	0	116.2	H657 I672	H657-S674 PolarHBondContact CE1-OG 2.79Å; H657-S674 VanDerWaalsContact CE1-OG 3.31Å; H657-S674 PolarHBondContact ND1-OG 3.04Å; I672-S674 PolarHBondContact O-N 3.25Å
675	Q	51.2	Low	53.3	Low	99 Å²	99	87.9 Å²	87.9	46%	0.463	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	2.1	-173.7	-60.1	-162.4	-10.8	0	0	114.7	I672 F678	I672-Q675 HydrophobicContact CB-CB 4.24Å; I672-Q675 PolarHBondContact O-N 2.97Å; Q675-F678 HydrophobicContact CB-CE2 4.09Å; Q675-F678 HydrophobicContact CB-CZ 4.44Å
676	G	51.3	Low	52.9	Low	40 Å²	40	86.1 Å²	86.1	41%	0.412	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.2	-170	179.2	0	0	0	0	0	113.5	F671 I672	F671-G676 WeakPolarHBondContact CA-O 3.49Å; I672-G676 PolarHBondContact N-O 3.18Å; I672-G676 PolarHBondContact O-N 3.27Å
677	I	51.9	Low	52.4	Low	112 Å²	112	86.7 Å²	86.7	57%	0.574	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	121	-176	-51.6	176.5	0	0	0	109.2	E669 F671 Q679	E669-I677 HydrophobicContact CB-CG2 4.28Å; F671-I677 HydrophobicContact CB-CB 4.29Å; F671-I677 HydrophobicContact CB-CG1 3.88Å; F671-I677 HydrophobicContact CB-CG2 4.41Å; I677-Q679 HydrophobicContact CG2-CG 4.13Å
678	F	55.1	Low	52	Low	105 Å²	105	85.6 Å²	85.6	46%	0.461	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.5	169.1	-62.5	-87.9	0	0	0	109.2	C670 Q675	C670-F678 PolarHBondContact N-O 2.98Å; C670-F678 WeakPolarHBondContact O-CA 3.49Å; C670-F678 PolarHBondContact O-N 3.38Å; Q675-F678 HydrophobicContact CB-CE2 4.09Å; Q675-F678 HydrophobicContact CB-CZ 4.44Å
679	Q	53.8	Low	51.7	Low	115 Å²	115	88.8 Å²	88.8	54%	0.537	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.6	178.1	-67	-177.4	-31.6	0	0	110.4	E669 I677	E669-Q679 HydrophobicContact CG-CG 4.21Å; E669-Q679 PolarHBondContact OE1-NE2 3.24Å; I677-Q679 HydrophobicContact CG2-CG 4.13Å
680	V	57.2	Low	51.2	Low	90 Å²	90	94 Å²	94	55%	0.545	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.3	173	-176	0	0	0	0	109.1	L668	L668-V680 PolarHBondContact N-O 3.04Å; L668-V680 PolarHBondContact O-N 3.03Å
681	G	51.6	Low	51.1	Low	60 Å²	60	97.1 Å²	97.1	62%	0.619	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.4	171.5	0	0	0	0	0	110.8
682	I	57.1	Low	50.5	Low	65 Å²	65	99.4 Å²	99.4	33%	0.333	56%	0.56	S	S	.	*			trans	-90.4	115	178.5	-58.6	172.1	0	0	0	108.3	L663 W666 L668 S684	L663-I682 HydrophobicContact CD1-CD1 3.4Å; W666-I682 PolarHBondContact O-N 2.84Å; L668-I682 HydrophobicContact CB-CD1 4.36Å; I682-S684 VanDerWaalsContact C-N 3.33Å; I682-S684 PolarHBondContact O-N 3.46Å
683	S	49.2	Very low	50	Low	128 Å²	128	104.4 Å²	104.4	90%	0.895	58%	0.581	S	S	*	*			trans	-80.9	-5.1	-173.1	59.1	0	0	0	0	114.8
684	S	52.7	Low	49.9	Very low	62 Å²	62	102.9 Å²	102.9	43%	0.434	57%	0.572	S	S	.	*			trans	-97.5	106.7	-179.1	59.5	0	0	0	0	112.1	I682 G686	I682-S684 VanDerWaalsContact C-N 3.33Å; I682-S684 PolarHBondContact O-N 3.46Å; S684-G686 PolarHBondContact O-N 3.08Å
685	L	37.2	Very low	49.9	Very low	169 Å²	169	102.6 Å²	102.6	89%	0.885	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	119.9	168.4	-85.5	137.9	0	0	0	111
686	G	46.2	Very low	50	Low	62 Å²	62	99.9 Å²	99.9	64%	0.639	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.1	21.2	151.1	0	0	0	0	0	119.6	S684	S684-G686 PolarHBondContact O-N 3.08Å
687	Q	47.1	Very low	49.8	Very low	168 Å²	168	98.5 Å²	98.5	79%	0.785	55%	0.546	S	S	*	.			trans	-107.8	120.8	172.4	-71.5	-173.4	-3.4	0	0	112.2
688	Q	48.1	Very low	49.5	Very low	116 Å²	116	94 Å²	94	54%	0.542	52%	0.524	S	S	.	.			trans	-71.3	132.5	168.1	-170.8	168.8	31.4	0	0	108.9	H690	Q688-H690 PolarHBondContact O-N 2.77Å
689	L	50.7	Low	48.9	Very low	127 Å²	127	93.4 Å²	93.4	67%	0.665	52%	0.524	S	S	*	.			trans	-68.9	105.5	174.5	-176.9	69.8	0	0	0	108.6	Y691	L689-Y691 HydrophobicContact CD2-CD1 4.46Å; L689-Y691 HydrophobicContact CG-CD1 4.43Å
690	H	47.2	Very low	48.6	Very low	152 Å²	152	92.3 Å²	92.3	70%	0.704	52%	0.519	S	S	*	.			trans	-91.5	126.8	171.2	-162.4	-73.2	0	0	0	109	Q688 D692	Q688-H690 PolarHBondContact O-N 2.77Å; H690-D692 IonicContact CE1-OD1 2.83Å; H690-D692 PolarHBondContact CE1-OD1 2.82Å; H690-D692 IonicContact ND1-OD1 3.66Å
691	Y	50.1	Low	47.9	Very low	105 Å²	105	94 Å²	94	41%	0.412	53%	0.525	S	S	.	.			trans	-135.7	134.4	174.9	61.1	-91.8	0	0	0	109.5	L689 V694 F731 D732	L689-Y691 HydrophobicContact CD2-CD1 4.46Å; L689-Y691 HydrophobicContact CG-CD1 4.43Å; Y691-V694 HydrophobicContact CD2-CG2 4.34Å; Y691-V694 HydrophobicContact CE2-CG2 4.4Å; Y691-F731 HydrophobicContact CE1-CE1 4.2Å; Y691-F731 HydrophobicContact CE1-CZ 4.07Å; Y691-F731 AromaticContact CE2-CE1 3.9Å; Y691-F731 HydrophobicContact CE2-CE1 3.9Å; Y691-F731 HydrophobicContact CE2-CZ 4.22Å; Y691-F731 AromaticContact CZ-CE1 3.62Å; Y691-F731 AromaticContact CZ-CZ 3.92Å; Y691-F731 WeakPolarHBondContact OH-CE1 3.39Å; Y691-D732 PolarHBondContact OH-OD2 3.06Å
692	D	43	Very low	47.3	Very low	120 Å²	120	94.6 Å²	94.6	64%	0.642	52%	0.519	S	S	*	.	S	Bend	trans	-94.7	-22.2	172.4	-59.9	-48.9	0	0	0	111.4	H690	H690-D692 IonicContact CE1-OD1 2.83Å; H690-D692 PolarHBondContact CE1-OD1 2.82Å; H690-D692 IonicContact ND1-OD1 3.66Å
693	F	45.7	Very low	46.5	Very low	126 Å²	126	94.9 Å²	94.9	55%	0.553	53%	0.527	S	S	*	.			trans	-145.8	138.8	-173.7	-51.9	-81.2	0	0	0	111.3
694	V	51.1	Low	46.1	Very low	65 Å²	65	92.7 Å²	92.7	39%	0.394	52%	0.517	S	S	.	.			trans	-97	108.7	162.8	-180	0	0	0	0	107.3	Y691 V696 F731	Y691-V694 HydrophobicContact CD2-CG2 4.34Å; Y691-V694 HydrophobicContact CE2-CG2 4.4Å; V694-V696 HydrophobicContact CG1-CG2 4.46Å; V694-F731 HydrophobicContact CG1-CD2 4.17Å; V694-F731 HydrophobicContact CG1-CG 4.42Å; V694-F731 HydrophobicContact CG2-CD1 3.89Å; V694-F731 HydrophobicContact CG2-CD2 4.09Å; V694-F731 HydrophobicContact CG2-CE1 3.79Å; V694-F731 HydrophobicContact CG2-CE2 3.98Å; V694-F731 HydrophobicContact CG2-CG 4.04Å; V694-F731 HydrophobicContact CG2-CZ 3.84Å
695	S	50.3	Low	45.6	Very low	69 Å²	69	95.5 Å²	95.5	48%	0.483	53%	0.527	S	S	.	.			trans	-96.2	126.2	-179.3	-65.9	0	0	0	0	110.4
696	V	52.9	Low	45.9	Very low	42 Å²	42	88.5 Å²	88.5	26%	0.255	49%	0.492	S	S	.	.			trans	-118.2	135.1	178.1	-169.6	0	0	0	0	107.4	I641 V694 C698 I726 L729	I641-V696 HydrophobicContact CD1-CB 4.14Å; I641-V696 HydrophobicContact CD1-CG1 3.68Å; V694-V696 HydrophobicContact CG1-CG2 4.46Å; V696-C698 PolarHBondContact O-N 2.66Å; V696-I726 HydrophobicContact CG1-CD1 3.29Å; V696-L729 HydrophobicContact CB-CD2 4.31Å; V696-L729 HydrophobicContact CG1-CD2 4.03Å; V696-L729 HydrophobicContact CG2-CD2 3.28Å
697	G	47.3	Very low	45.8	Very low	10 Å²	10	88 Å²	88	10%	0.103	48%	0.477	C	S	.	.	S	Bend	trans	84.7	-49.8	179.3	0	0	0	0	0	114.2	I641 R721 F722	I641-G697 VanDerWaalsContact CD1-CA 3.47Å; G697-R721 CarbonylContact O-C 3.52Å; G697-R721 VanDerWaalsContact O-C 3.27Å; G697-R721 WeakPolarHBondContact O-CA 3.47Å; G697-R721 WeakPolarHBondContact O-CB 3.4Å; G697-F722 PolarHBondContact O-N 3.15Å
698	C	45.1	Very low	45.8	Very low	19 Å²	19	82.5 Å²	82.5	13%	0.128	46%	0.456	C	S	.	.			trans	-149.4	143.1	177.3	60.7	0	0	0	0	112.8	V696 E700 R721	V696-C698 PolarHBondContact O-N 2.66Å; C698-E700 PolarHBondContact O-N 2.96Å; C698-R721 HydrophobicContact CB-CB 3.8Å; C698-R721 HydrophobicContact CB-CG 3.41Å; C698-R721 VanDerWaalsContact CB-CG 3.41Å
699	M	44.1	Very low	45.6	Very low	92 Å²	92	83.4 Å²	83.4	45%	0.453	46%	0.455	S	S	.	.			trans	-80.3	105.6	165.5	-79.3	-170.5	-75.4	0	0	109.5	I710	M699-I710 HydrophobicContact CE-CD1 4.21Å; M699-I710 HydrophobicContact SD-CD1 4.09Å
700	E	47	Very low	45.5	Very low	91 Å²	91	78.6 Å²	78.6	43%	0.425	43%	0.43	S	S	.	.			trans	-93.3	110.9	170.5	-81.2	-169.2	158.3	0	0	111	C698 S702	C698-E700 PolarHBondContact O-N 2.96Å; E700-S702 PolarHBondContact O-N 3.33Å; E700-S702 VanDerWaalsContact O-N 3.11Å
701	N	42.2	Very low	45.4	Very low	127 Å²	127	73.7 Å²	73.7	68%	0.679	41%	0.413	S	S	*	.			trans	33.9	60.3	148.7	-94.2	-6.2	0	0	0	119.2
702	S	39.2	Very low	45.5	Very low	71 Å²	71	76.9 Å²	76.9	50%	0.497	43%	0.429	S	S	.	.	S	Bend	trans	-96.5	86.1	151.4	52.5	0	0	0	0	109.2	E700 S706	E700-S702 PolarHBondContact O-N 3.33Å; E700-S702 VanDerWaalsContact O-N 3.11Å; S702-S706 WeakPolarHBondContact O-CB 3.25Å; S702-S706 PolarHBondContact O-OG 3.48Å
703	S	40.3	Very low	45.6	Very low	72 Å²	72	75 Å²	75	50%	0.503	42%	0.422	S	S	.	.			trans	69.1	127.3	-177.7	80.2	0	0	0	0	116.1	N705 S706	S703-N705 PolarHBondContact O-N 2.82Å; S703-S706 PolarHBondContact O-N 2.82Å; S703-S706 PolarHBondContact O-OG 2.74Å
704	A	39.8	Very low	45.6	Very low	81 Å²	81	75.2 Å²	75.2	67%	0.669	42%	0.42	S	S	*	.	H	α-helix	trans	-55.8	-14.7	172.8	0	0	0	0	0	113.8
705	N	42.5	Very low	45	Very low	121 Å²	121	77.9 Å²	77.9	65%	0.647	44%	0.439	S	S	*	.	H	α-helix	trans	-73.8	-30.3	175.1	-68.3	-13.5	0	0	0	112.5	S703 S708 W709	S703-N705 PolarHBondContact O-N 2.82Å; N705-S708 PolarHBondContact O-N 2.94Å; N705-S708 PolarHBondContact O-OG 2.79Å; N705-W709 PolarHBondContact O-N 3.33Å; N705-W709 VanDerWaalsContact O-N 3.15Å
706	S	43.5	Very low	44.7	Very low	23 Å²	23	77.5 Å²	77.5	16%	0.161	45%	0.446	C	S	.	.	H	α-helix	trans	-69.4	-48.2	-173.5	60.6	0	0	0	0	112.9	S702 S703 S708 W709 I710	S702-S706 WeakPolarHBondContact O-CB 3.25Å; S702-S706 PolarHBondContact O-OG 3.48Å; S703-S706 PolarHBondContact O-N 2.82Å; S703-S706 PolarHBondContact O-OG 2.74Å; S706-S708 VanDerWaalsContact C-N 3.26Å; S706-S708 PolarHBondContact O-N 2.78Å; S706-W709 VanDerWaalsContact C-CD1 3.44Å; S706-W709 VanDerWaalsContact CA-NE1 3.26Å; S706-W709 VanDerWaalsContact O-CG 3.27Å; S706-W709 PolarHBondContact O-N 2.9Å; S706-W709 PolarHBondContact O-NE1 2.87Å; S706-I710 WeakPolarHBondContact O-CG1 3.3Å; S706-I710 PolarHBondContact O-N 3.48Å; S706-I710 VanDerWaalsContact O-N 3.16Å
707	V	45.5	Very low	44.4	Very low	52 Å²	52	78.4 Å²	78.4	32%	0.315	45%	0.448	S	S	.	.	H	α-helix	trans	-66.2	-30.8	176.2	-175.4	0	0	0	0	111.6	S711	V707-S711 WeakPolarHBondContact O-CB 3.28Å; V707-S711 PolarHBondContact O-N 2.83Å; V707-S711 VanDerWaalsContact O-N 3.1Å; V707-S711 PolarHBondContact O-OG 2.93Å
708	S	46.2	Very low	44.3	Very low	51 Å²	51	83.3 Å²	83.3	36%	0.357	47%	0.472	S	S	.	.	H	α-helix	trans	-71.9	-32	177.9	91.6	0	0	0	0	113.5	N705 S706 S711 K712	N705-S708 PolarHBondContact O-N 2.94Å; N705-S708 PolarHBondContact O-OG 2.79Å; S706-S708 VanDerWaalsContact C-N 3.26Å; S706-S708 PolarHBondContact O-N 2.78Å; S708-S711 PolarHBondContact O-OG 3.46Å; S708-K712 WeakPolarHBondContact O-CB 3.44Å; S708-K712 VanDerWaalsContact O-CG 3.25Å; S708-K712 WeakPolarHBondContact O-CG 3.43Å; S708-K712 PolarHBondContact O-N 2.78Å
709	W	44.8	Very low	44.3	Very low	135 Å²	135	84.5 Å²	84.5	51%	0.511	49%	0.488	S	S	.	.	H	α-helix	trans	-78.2	-41	175.1	75.5	-105.5	0	0	0	110.8	N705 S706 S711 K712 T713 Y714	N705-W709 PolarHBondContact O-N 3.33Å; N705-W709 VanDerWaalsContact O-N 3.15Å; S706-W709 VanDerWaalsContact C-CD1 3.44Å; S706-W709 VanDerWaalsContact CA-NE1 3.26Å; S706-W709 VanDerWaalsContact O-CG 3.27Å; S706-W709 PolarHBondContact O-N 2.9Å; S706-W709 PolarHBondContact O-NE1 2.87Å; W709-S711 PolarHBondContact O-N 3.32Å; W709-K712 PolarHBondContact O-N 3.48Å; W709-T713 VanDerWaalsContact O-CB 3.29Å; W709-T713 WeakPolarHBondContact O-CB 2.81Å; W709-T713 PolarHBondContact O-N 3.4Å; W709-T713 PolarHBondContact O-OG1 2.94Å; W709-Y714 HydrophobicContact CZ3-CE2 4.37Å
710	I	47.8	Very low	44.3	Very low	26 Å²	26	81.4 Å²	81.4	13%	0.133	48%	0.475	C	S	.	.	H	α-helix	trans	-61.9	-47.8	179.7	-65.1	172.2	0	0	0	110.6	M699 S706 K712 T713 Y714 I717	M699-I710 HydrophobicContact CE-CD1 4.21Å; M699-I710 HydrophobicContact SD-CD1 4.09Å; S706-I710 WeakPolarHBondContact O-CG1 3.3Å; S706-I710 PolarHBondContact O-N 3.48Å; S706-I710 VanDerWaalsContact O-N 3.16Å; I710-K712 VanDerWaalsContact C-N 3.28Å; I710-K712 PolarHBondContact O-N 2.74Å; I710-T713 PolarHBondContact O-N 3.14Å; I710-Y714 PolarHBondContact O-N 2.93Å; I710-I717 HydrophobicContact CG2-CB 4.01Å; I710-I717 HydrophobicContact CG2-CG2 3.64Å
711	S	45.8	Very low	44.3	Very low	50 Å²	50	81.7 Å²	81.7	35%	0.35	47%	0.472	S	S	.	.	H	α-helix	trans	-65	-28	177.3	55.9	0	0	0	0	113.7	V707 S708 W709	V707-S711 WeakPolarHBondContact O-CB 3.28Å; V707-S711 PolarHBondContact O-N 2.83Å; V707-S711 VanDerWaalsContact O-N 3.1Å; V707-S711 PolarHBondContact O-OG 2.93Å; S708-S711 PolarHBondContact O-OG 3.46Å; W709-S711 PolarHBondContact O-N 3.32Å
712	K	50.9	Low	44.5	Very low	172 Å²	172	79.6 Å²	79.6	75%	0.748	46%	0.457	S	S	*	.	H	α-helix	trans	-79.1	-37.9	173.7	-83.5	179.3	177.1	177.4	0	113.4	S708 W709 I710	S708-K712 WeakPolarHBondContact O-CB 3.44Å; S708-K712 VanDerWaalsContact O-CG 3.25Å; S708-K712 WeakPolarHBondContact O-CG 3.43Å; S708-K712 PolarHBondContact O-N 2.78Å; W709-K712 PolarHBondContact O-N 3.48Å; I710-K712 VanDerWaalsContact C-N 3.28Å; I710-K712 PolarHBondContact O-N 2.74Å
713	T	45.6	Very low	44.7	Very low	81 Å²	81	79.7 Å²	79.7	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-82.8	-32	-175.4	-55.6	0	0	0	0	111.6	W709 I710	W709-T713 VanDerWaalsContact O-CB 3.29Å; W709-T713 WeakPolarHBondContact O-CB 2.81Å; W709-T713 PolarHBondContact O-N 3.4Å; W709-T713 PolarHBondContact O-OG1 2.94Å; I710-T713 PolarHBondContact O-N 3.14Å
714	Y	45.4	Very low	45	Very low	129 Å²	129	77.6 Å²	77.6	51%	0.506	45%	0.445	S	S	.	.	S	Bend	trans	-130.2	84.9	-179.5	-56.9	-76.3	0	0	0	110.2	W709 I710 G716 I717	W709-Y714 HydrophobicContact CZ3-CE2 4.37Å; I710-Y714 PolarHBondContact O-N 2.93Å; Y714-G716 PolarHBondContact O-N 3.42Å; Y714-G716 VanDerWaalsContact O-N 3.12Å; Y714-I717 HydrophobicContact CD2-CD1 4.34Å; Y714-I717 HydrophobicContact CG-CD1 3.98Å; Y714-I717 PolarHBondContact O-N 3.14Å; Y714-I717 VanDerWaalsContact O-N 3.11Å
715	P	38.2	Very low	45.3	Very low	122 Å²	122	77.4 Å²	77.4	79%	0.792	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	118.3	176.4	-17.9	29.3	0	0	0	109.8
716	G	43.9	Very low	45.7	Very low	61 Å²	61	73.1 Å²	73.1	63%	0.629	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	114	-13	-176.7	0	0	0	0	0	115.1	Y714 D718	Y714-G716 PolarHBondContact O-N 3.42Å; Y714-G716 VanDerWaalsContact O-N 3.12Å; G716-D718 PolarHBondContact O-N 3.49Å
717	I	47.1	Very low	45.9	Very low	60 Å²	60	74.9 Å²	74.9	31%	0.308	43%	0.427	S	S	.	.			trans	-89.1	78.8	168.2	-53.3	-175.1	0	0	0	108.7	L646 I710 Y714	L646-I717 HydrophobicContact CD1-CG2 4.02Å; L646-I717 HydrophobicContact CD2-CB 4.43Å; L646-I717 HydrophobicContact CD2-CG1 4.38Å; L646-I717 HydrophobicContact CD2-CG2 4.18Å; I710-I717 HydrophobicContact CG2-CB 4.01Å; I710-I717 HydrophobicContact CG2-CG2 3.64Å; Y714-I717 HydrophobicContact CD2-CD1 4.34Å; Y714-I717 HydrophobicContact CG-CD1 3.98Å; Y714-I717 PolarHBondContact O-N 3.14Å; Y714-I717 VanDerWaalsContact O-N 3.11Å
718	D	46.2	Very low	46.2	Very low	114 Å²	114	77.5 Å²	77.5	61%	0.61	44%	0.439	S	S	*	.			trans	-70.6	142.4	166.1	-79.6	-26.3	0	0	0	108.5	L646 G716 S720	L646-D718 WeakPolarHBondContact CD1-O 2.91Å; G716-D718 PolarHBondContact O-N 3.49Å; D718-S720 WeakPolarHBondContact O-CB 3.49Å; D718-S720 PolarHBondContact O-N 3.05Å; D718-S720 PolarHBondContact O-OG 3.38Å
719	G	44.3	Very low	46.7	Very low	44 Å²	44	77.1 Å²	77.1	45%	0.454	43%	0.433	S	S	.	.	S	Bend	trans	-66.5	58.2	179.7	0	0	0	0	0	113.3
720	S	44.6	Very low	46.9	Very low	26 Å²	26	75 Å²	75	18%	0.182	44%	0.435	C	S	.	.			trans	-111.7	136.9	-155	59.6	0	0	0	0	108.1	S644 L645 L646 D718	S644-S720 CarbonylContact O-C 3.33Å; S644-S720 VanDerWaalsContact O-CA 3.3Å; S644-S720 WeakPolarHBondContact O-CA 3.38Å; S644-S720 WeakPolarHBondContact O-CB 3.42Å; L645-S720 WeakPolarHBondContact O-CB 3.23Å; L645-S720 PolarHBondContact O-OG 2.91Å; L646-S720 WeakPolarHBondContact CD1-OG 3.1Å; L646-S720 WeakPolarHBondContact CG-OG 3.24Å; L646-S720 PolarHBondContact N-OG 3Å; D718-S720 WeakPolarHBondContact O-CB 3.49Å; D718-S720 PolarHBondContact O-N 3.05Å; D718-S720 PolarHBondContact O-OG 3.38Å
721	R	46.4	Very low	47.3	Very low	97 Å²	97	76.9 Å²	76.9	37%	0.366	44%	0.443	S	S	.	.			trans	-79.1	131.7	-171.4	-35.5	-175.4	169.9	156.9	-8.1	111.2	H643 S644 L645 G697 C698	H643-R721 WeakPolarHBondContact O-CB 3.25Å; H643-R721 WeakPolarHBondContact O-CD 3.49Å; H643-R721 WeakPolarHBondContact O-CG 3.09Å; S644-R721 CarbonylContact C-O 3.59Å; S644-R721 PolarHBondContact N-O 2.79Å; S644-R721 CarbonylContact O-C 3.48Å; S644-R721 PolarHBondContact O-N 2.94Å; L645-R721 PolarHBondContact N-O 3.23Å; L645-R721 VanDerWaalsContact N-O 3.16Å; G697-R721 CarbonylContact O-C 3.52Å; G697-R721 VanDerWaalsContact O-C 3.27Å; G697-R721 WeakPolarHBondContact O-CA 3.47Å; G697-R721 WeakPolarHBondContact O-CB 3.4Å; C698-R721 HydrophobicContact CB-CB 3.8Å; C698-R721 HydrophobicContact CB-CG 3.41Å; C698-R721 VanDerWaalsContact CB-CG 3.41Å
722	F	46.4	Very low	47.8	Very low	84 Å²	84	77.9 Å²	77.9	37%	0.368	44%	0.444	S	S	.	.			trans	-54	137.4	173.5	172.6	-91.3	0	0	0	111.4	I641 G697 G724 I726	I641-F722 VanDerWaalsContact O-O 3.11Å; G697-F722 PolarHBondContact O-N 3.15Å; F722-G724 VanDerWaalsContact CE1-C 3.48Å; F722-I726 HydrophobicContact CD1-CD1 3.87Å; F722-I726 HydrophobicContact CD1-CG1 4.07Å; F722-I726 HydrophobicContact CE1-CD1 3.71Å; F722-I726 HydrophobicContact CE1-CG1 3.38Å; F722-I726 HydrophobicContact CZ-CD1 4.23Å; F722-I726 HydrophobicContact CZ-CG1 3.73Å
723	V	43.5	Very low	47.5	Very low	72 Å²	72	72.3 Å²	72.3	44%	0.436	44%	0.436	S	S	.	.			trans	-124.4	108.4	175.1	179	0	0	0	0	107.8
724	G	47	Very low	47.6	Very low	29 Å²	29	71.1 Å²	71.1	30%	0.299	43%	0.428	S	S	.	.	S	Bend	trans	167.8	-174.2	-178.3	0	0	0	0	0	110.8	F722	F722-G724 VanDerWaalsContact CE1-C 3.48Å
725	S	45.5	Very low	47.9	Very low	77 Å²	77	67.4 Å²	67.4	54%	0.538	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.3	170.5	-65.3	0	0	0	0	108.7
726	I	50.9	Low	48.7	Very low	31 Å²	31	63 Å²	63	16%	0.159	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.9	167	-55.8	173.1	0	0	0	106.5	I641 V696 F722 L729 L737	I641-I726 HydrophobicContact CD1-CD1 4.49Å; V696-I726 HydrophobicContact CG1-CD1 3.29Å; F722-I726 HydrophobicContact CD1-CD1 3.87Å; F722-I726 HydrophobicContact CD1-CG1 4.07Å; F722-I726 HydrophobicContact CE1-CD1 3.71Å; F722-I726 HydrophobicContact CE1-CG1 3.38Å; F722-I726 HydrophobicContact CZ-CD1 4.23Å; F722-I726 HydrophobicContact CZ-CG1 3.73Å; I726-L729 HydrophobicContact CG2-CB 3.96Å; I726-L737 HydrophobicContact CG2-CD1 4.05Å
727	S	48.7	Very low	49	Very low	59 Å²	59	60.7 Å²	60.7	41%	0.413	36%	0.361	S	S	.	.			trans	-121.1	155.6	168.7	51.1	0	0	0	0	108.3	L729	S727-L729 VanDerWaalsContact C-N 3.29Å; S727-L729 PolarHBondContact O-N 2.97Å; S727-L729 VanDerWaalsContact O-N 3.16Å
728	D	50.5	Low	49.1	Very low	107 Å²	107	61.9 Å²	61.9	57%	0.572	36%	0.362	S	S	*	.			trans	51	41.6	172.8	-52.8	-27.3	0	0	0	114.7	T730	D728-T730 VanDerWaalsContact C-N 3.32Å; D728-T730 PolarHBondContact O-N 3.03Å
729	L	56.7	Low	49.1	Very low	44 Å²	44	58.4 Å²	58.4	23%	0.23	34%	0.343	C	S	.	.			trans	-71	93.7	172.9	178.7	72.7	0	0	0	109.5	V696 I726 S727 V736 L737	V696-L729 HydrophobicContact CB-CD2 4.31Å; V696-L729 HydrophobicContact CG1-CD2 4.03Å; V696-L729 HydrophobicContact CG2-CD2 3.28Å; I726-L729 HydrophobicContact CG2-CB 3.96Å; S727-L729 VanDerWaalsContact C-N 3.29Å; S727-L729 PolarHBondContact O-N 2.97Å; S727-L729 VanDerWaalsContact O-N 3.16Å; L729-V736 HydrophobicContact CD2-CB 4.3Å; L729-V736 PolarHBondContact O-N 2.94Å; L729-L737 HydrophobicContact CB-CD1 3.69Å; L729-L737 HydrophobicContact CB-CD2 4.42Å; L729-L737 HydrophobicContact CB-CG 3.8Å; L729-L737 HydrophobicContact CD2-CD2 4.43Å
730	T	50.5	Low	49.3	Very low	90 Å²	90	56.4 Å²	56.4	55%	0.552	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.4	167	58.8	0	0	0	0	109.3	D728 V734	D728-T730 VanDerWaalsContact C-N 3.32Å; D728-T730 PolarHBondContact O-N 3.03Å; T730-V734 CarbonylContact C-O 3.52Å; T730-V734 VanDerWaalsContact CA-O 3.29Å; T730-V734 WeakPolarHBondContact CA-O 3.45Å
731	F	55.8	Low	49.4	Very low	66 Å²	66	60.3 Å²	60.3	29%	0.289	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.1	167.9	-174.2	-93.7	0	0	0	106.7	Y691 V694 G733 V734 V736	Y691-F731 HydrophobicContact CE1-CE1 4.2Å; Y691-F731 HydrophobicContact CE1-CZ 4.07Å; Y691-F731 AromaticContact CE2-CE1 3.9Å; Y691-F731 HydrophobicContact CE2-CE1 3.9Å; Y691-F731 HydrophobicContact CE2-CZ 4.22Å; Y691-F731 AromaticContact CZ-CE1 3.62Å; Y691-F731 AromaticContact CZ-CZ 3.92Å; Y691-F731 WeakPolarHBondContact OH-CE1 3.39Å; V694-F731 HydrophobicContact CG1-CD2 4.17Å; V694-F731 HydrophobicContact CG1-CG 4.42Å; V694-F731 HydrophobicContact CG2-CD1 3.89Å; V694-F731 HydrophobicContact CG2-CD2 4.09Å; V694-F731 HydrophobicContact CG2-CE1 3.79Å; V694-F731 HydrophobicContact CG2-CE2 3.98Å; V694-F731 HydrophobicContact CG2-CG 4.04Å; V694-F731 HydrophobicContact CG2-CZ 3.84Å; F731-G733 PolarHBondContact O-N 3.16Å; F731-G733 VanDerWaalsContact O-N 3.16Å; F731-V734 PolarHBondContact N-O 3.42Å; F731-V734 WeakPolarHBondContact O-CB 3.22Å; F731-V734 PolarHBondContact O-N 2.85Å; F731-V736 HydrophobicContact CB-CG2 3.74Å
732	D	55.6	Low	49.3	Very low	71 Å²	71	62.1 Å²	62.1	38%	0.38	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	35	174.5	-94.1	3.3	0	0	0	111.6	L554 Y691 V734	L554-D732 HydrophobicContact CD2-CB 3.18Å; L554-D732 VanDerWaalsContact CD2-O 3.23Å; L554-D732 WeakPolarHBondContact CD2-O 3.35Å; Y691-D732 PolarHBondContact OH-OD2 3.06Å; D732-V734 PolarHBondContact O-N 3.46Å
733	G	45.6	Very low	49.2	Very low	55 Å²	55	63.2 Å²	63.2	57%	0.567	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-0.7	-176.6	0	0	0	0	0	115.3	F731	F731-G733 PolarHBondContact O-N 3.16Å; F731-G733 VanDerWaalsContact O-N 3.16Å
734	V	46.1	Very low	49	Very low	55 Å²	55	67.3 Å²	67.3	33%	0.333	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.9	177.5	-178.7	0	0	0	0	109.6	T730 F731 D732 V736 L739	T730-V734 CarbonylContact C-O 3.52Å; T730-V734 VanDerWaalsContact CA-O 3.29Å; T730-V734 WeakPolarHBondContact CA-O 3.45Å; F731-V734 PolarHBondContact N-O 3.42Å; F731-V734 WeakPolarHBondContact O-CB 3.22Å; F731-V734 PolarHBondContact O-N 2.85Å; D732-V734 PolarHBondContact O-N 3.46Å; V734-V736 WeakPolarHBondContact O-CG2 3.2Å; V734-V736 PolarHBondContact O-N 2.82Å; V734-L739 HydrophobicContact CG1-CD1 3.3Å; V734-L739 HydrophobicContact CG1-CG 4.35Å
735	D	53.5	Low	48.9	Very low	51 Å²	51	69.3 Å²	69.3	27%	0.273	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	94.5	170.2	-174.9	-19.7	0	0	0	109.9	L737 Y738 L739	D735-L737 VanDerWaalsContact C-N 3.32Å; D735-L737 PolarHBondContact O-N 2.75Å; D735-L737 PolarHBondContact OD1-N 3.4Å; D735-L737 VanDerWaalsContact OD1-N 3.17Å; D735-Y738 WeakPolarHBondContact OD1-CB 3.27Å; D735-Y738 PolarHBondContact OD1-N 2.79Å; D735-Y738 WeakPolarHBondContact OD2-CB 3.3Å; D735-L739 WeakPolarHBondContact O-CB 3Å; D735-L739 WeakPolarHBondContact O-CG 3.49Å; D735-L739 PolarHBondContact O-N 2.99Å
736	V	53.7	Low	48.7	Very low	31 Å²	31	68.1 Å²	68.1	19%	0.188	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-38.6	-174.3	-176.8	0	0	0	0	110.2	L729 F731 V734 A740 I745	L729-V736 HydrophobicContact CD2-CB 4.3Å; L729-V736 PolarHBondContact O-N 2.94Å; F731-V736 HydrophobicContact CB-CG2 3.74Å; V734-V736 WeakPolarHBondContact O-CG2 3.2Å; V734-V736 PolarHBondContact O-N 2.82Å; V736-A740 WeakPolarHBondContact O-CB 3.38Å; V736-A740 PolarHBondContact O-N 2.79Å; V736-I745 HydrophobicContact CG1-CD1 4.06Å
737	L	51.3	Low	48	Very low	12 Å²	12	72.1 Å²	72.1	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-71.5	-42.4	-177.2	-59.4	172.1	0	0	0	110.7	I639 I726 L729 D735 A740 W741	I639-L737 HydrophobicContact CB-CD2 4.46Å; I639-L737 HydrophobicContact CD1-CB 4.06Å; I639-L737 HydrophobicContact CD1-CD2 3.34Å; I639-L737 HydrophobicContact CD1-CG 4.17Å; I639-L737 HydrophobicContact CG1-CD2 4.41Å; I726-L737 HydrophobicContact CG2-CD1 4.05Å; L729-L737 HydrophobicContact CB-CD1 3.69Å; L729-L737 HydrophobicContact CB-CD2 4.42Å; L729-L737 HydrophobicContact CB-CG 3.8Å; L729-L737 HydrophobicContact CD2-CD2 4.43Å; D735-L737 VanDerWaalsContact C-N 3.32Å; D735-L737 PolarHBondContact O-N 2.75Å; D735-L737 PolarHBondContact OD1-N 3.4Å; D735-L737 VanDerWaalsContact OD1-N 3.17Å; L737-A740 PolarHBondContact O-N 3.25Å; L737-W741 WeakPolarHBondContact O-CB 3.26Å; L737-W741 PolarHBondContact O-N 2.85Å
738	Y	47.6	Very low	47.4	Very low	84 Å²	84	77.6 Å²	77.6	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-64.5	-46.6	176.9	177.8	-102.4	0	0	0	112.3	D735 A740 W741 R742	D735-Y738 WeakPolarHBondContact OD1-CB 3.27Å; D735-Y738 PolarHBondContact OD1-N 2.79Å; D735-Y738 WeakPolarHBondContact OD2-CB 3.3Å; Y738-A740 VanDerWaalsContact C-N 3.32Å; Y738-A740 PolarHBondContact O-N 3.3Å; Y738-W741 HydrophobicContact CD2-CE3 4.03Å; Y738-W741 HydrophobicContact CD2-CZ3 4.33Å; Y738-W741 HydrophobicContact CE2-CE3 4.11Å; Y738-W741 HydrophobicContact CE2-CZ3 4.02Å; Y738-W741 PolarHBondContact O-N 3.34Å; Y738-R742 HydrophobicContact CD1-CG 4.35Å; Y738-R742 HydrophobicContact CD2-CG 4.35Å; Y738-R742 HydrophobicContact CE1-CG 3.97Å; Y738-R742 HydrophobicContact CE2-CG 3.95Å; Y738-R742 WeakPolarHBondContact O-CB 2.9Å; Y738-R742 WeakPolarHBondContact O-CG 3.2Å; Y738-R742 PolarHBondContact O-N 3.4Å; Y738-R742 PolarHBondContact OH-NE 3.09Å; Y738-R742 VanDerWaalsContact OH-NE 3.12Å; Y738-R742 PolarHBondContact OH-NH2 2.79Å
739	L	46.8	Very low	46.4	Very low	41 Å²	41	76 Å²	76	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-64.2	-39.8	178.5	-71.3	-174.3	0	0	0	111.8	V734 D735 R742 Q743 K744 I745	V734-L739 HydrophobicContact CG1-CD1 3.3Å; V734-L739 HydrophobicContact CG1-CG 4.35Å; D735-L739 WeakPolarHBondContact O-CB 3Å; D735-L739 WeakPolarHBondContact O-CG 3.49Å; D735-L739 PolarHBondContact O-N 2.99Å; L739-R742 CarbonylContact O-C 3.58Å; L739-R742 PolarHBondContact O-N 2.96Å; L739-Q743 PolarHBondContact O-N 3.36Å; L739-Q743 VanDerWaalsContact O-N 3.16Å; L739-K744 HydrophobicContact CB-CB 4.42Å; L739-K744 HydrophobicContact CD2-CB 4Å; L739-K744 HydrophobicContact CD2-CD 3.87Å; L739-K744 PolarHBondContact O-N 3.02Å; L739-I745 HydrophobicContact CB-CD1 3.61Å; L739-I745 HydrophobicContact CB-CG1 3.69Å; L739-I745 HydrophobicContact CB-CG2 4.15Å; L739-I745 HydrophobicContact CD1-CD1 4.41Å; L739-I745 HydrophobicContact CD1-CG2 4.06Å
740	A	49.3	Very low	45.1	Very low	2 Å²	2	82.1 Å²	82.1	2%	0.017	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-42.5	176.1	0	0	0	0	0	111.3	V736 L737 Y738 R742 Q743 I745 F758	V736-A740 WeakPolarHBondContact O-CB 3.38Å; V736-A740 PolarHBondContact O-N 2.79Å; L737-A740 PolarHBondContact O-N 3.25Å; Y738-A740 VanDerWaalsContact C-N 3.32Å; Y738-A740 PolarHBondContact O-N 3.3Å; A740-R742 VanDerWaalsContact C-N 3.35Å; A740-R742 PolarHBondContact O-N 2.9Å; A740-Q743 PolarHBondContact O-N 3Å; A740-I745 HydrophobicContact CB-CD1 4.31Å; A740-I745 HydrophobicContact CB-CG1 4.08Å; A740-F758 HydrophobicContact CB-CB 4.44Å; A740-F758 HydrophobicContact CB-CD1 3.65Å; A740-F758 HydrophobicContact CB-CD2 3.74Å; A740-F758 HydrophobicContact CB-CE1 3.67Å; A740-F758 HydrophobicContact CB-CE2 3.76Å; A740-F758 HydrophobicContact CB-CG 3.68Å; A740-F758 HydrophobicContact CB-CZ 3.72Å
741	W	45.4	Very low	44.1	Very low	108 Å²	108	83.9 Å²	83.9	41%	0.409	44%	0.438	S	S	.	.	H	α-helix	trans	-61.3	-40.4	174.9	177.9	68.4	0	0	0	112.5	L737 Y738 Q743	L737-W741 WeakPolarHBondContact O-CB 3.26Å; L737-W741 PolarHBondContact O-N 2.85Å; Y738-W741 HydrophobicContact CD2-CE3 4.03Å; Y738-W741 HydrophobicContact CD2-CZ3 4.33Å; Y738-W741 HydrophobicContact CE2-CE3 4.11Å; Y738-W741 HydrophobicContact CE2-CZ3 4.02Å; Y738-W741 PolarHBondContact O-N 3.34Å; W741-Q743 PolarHBondContact O-N 3.09Å
742	R	45.1	Very low	42.7	Very low	135 Å²	135	84.8 Å²	84.8	51%	0.509	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.7	174	-68.9	-67.2	-162.6	178.2	-0.8	113.9	Y738 L739 A740 K744	Y738-R742 HydrophobicContact CD1-CG 4.35Å; Y738-R742 HydrophobicContact CD2-CG 4.35Å; Y738-R742 HydrophobicContact CE1-CG 3.97Å; Y738-R742 HydrophobicContact CE2-CG 3.95Å; Y738-R742 WeakPolarHBondContact O-CB 2.9Å; Y738-R742 WeakPolarHBondContact O-CG 3.2Å; Y738-R742 PolarHBondContact O-N 3.4Å; Y738-R742 PolarHBondContact OH-NE 3.09Å; Y738-R742 VanDerWaalsContact OH-NE 3.12Å; Y738-R742 PolarHBondContact OH-NH2 2.79Å; L739-R742 CarbonylContact O-C 3.58Å; L739-R742 PolarHBondContact O-N 2.96Å; A740-R742 VanDerWaalsContact C-N 3.35Å; A740-R742 PolarHBondContact O-N 2.9Å; R742-K744 HydrophobicContact CB-CG 4.14Å; R742-K744 PolarHBondContact O-N 2.83Å
743	Q	43.5	Very low	41.3	Very low	107 Å²	107	86.3 Å²	86.3	50%	0.5	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	29.1	-174.4	-56.3	-176.3	3	0	0	113.5	L739 A740 W741	L739-Q743 PolarHBondContact O-N 3.36Å; L739-Q743 VanDerWaalsContact O-N 3.16Å; A740-Q743 PolarHBondContact O-N 3Å; W741-Q743 PolarHBondContact O-N 3.09Å
744	K	40.4	Very low	40.6	Very low	158 Å²	158	88 Å²	88	69%	0.687	47%	0.465	S	S	*	.	S	Bend	trans	-82.6	-20.9	174.3	-73.9	-167.3	173	-171.5	0	112.4	L739 R742	L739-K744 HydrophobicContact CB-CB 4.42Å; L739-K744 HydrophobicContact CD2-CB 4Å; L739-K744 HydrophobicContact CD2-CD 3.87Å; L739-K744 PolarHBondContact O-N 3.02Å; R742-K744 HydrophobicContact CB-CG 4.14Å; R742-K744 PolarHBondContact O-N 2.83Å
745	I	44.2	Very low	39.8	Very low	71 Å²	71	90.9 Å²	90.9	36%	0.364	48%	0.482	S	S	.	.	S	Bend	trans	-129.5	144.2	172.4	62.7	178.5	0	0	0	108.9	V736 L739 A740	V736-I745 HydrophobicContact CG1-CD1 4.06Å; L739-I745 HydrophobicContact CB-CD1 3.61Å; L739-I745 HydrophobicContact CB-CG1 3.69Å; L739-I745 HydrophobicContact CB-CG2 4.15Å; L739-I745 HydrophobicContact CD1-CD1 4.41Å; L739-I745 HydrophobicContact CD1-CG2 4.06Å; A740-I745 HydrophobicContact CB-CD1 4.31Å; A740-I745 HydrophobicContact CB-CG1 4.08Å
746	G	42.4	Very low	38.9	Very low	53 Å²	53	93.6 Å²	93.6	55%	0.546	50%	0.495	S	S	.	.	S	Bend	trans	106.4	108.4	-175.6	0	0	0	0	0	112.6
747	D	35.5	Very low	37.7	Very low	114 Å²	114	99 Å²	99	61%	0.61	52%	0.523	S	S	*	.			trans	-79.1	136.7	-173.9	-163	20.3	0	0	0	112.5	S749	D747-S749 VanDerWaalsContact C-N 3.27Å; D747-S749 PolarHBondContact O-N 2.81Å; D747-S749 PolarHBondContact OD1-OG 2.76Å; D747-S749 PolarHBondContact OD2-OG 3.46Å
748	K	35.6	Very low	36.7	Very low	174 Å²	174	102.5 Å²	102.5	76%	0.757	54%	0.538	S	S	*	.	S	Bend	trans	-84	2.2	179.8	-80.5	-179.3	-179	164.9	0	113.2
749	S	29.1	Very low	35.8	Very low	73 Å²	73	103 Å²	103	51%	0.51	55%	0.55	S	S	.	.			trans	-114.7	26.7	-165	23.1	0	0	0	0	116.8	D747	D747-S749 VanDerWaalsContact C-N 3.27Å; D747-S749 PolarHBondContact O-N 2.81Å; D747-S749 PolarHBondContact OD1-OG 2.76Å; D747-S749 PolarHBondContact OD2-OG 3.46Å
750	F	31.1	Very low	35	Very low	174 Å²	174	104.7 Å²	104.7	76%	0.763	57%	0.565	S	S	*	*			trans	-138	91.6	172	-83.4	-84.5	0	0	0	113.5	S752	F750-S752 PolarHBondContact O-N 2.85Å; F750-S752 VanDerWaalsContact O-N 3.08Å
751	S	28.1	Very low	33.9	Very low	126 Å²	126	113 Å²	113	88%	0.881	60%	0.601	S	S	*	*			trans	-81.2	55.9	174.3	73.8	0	0	0	0	112.5
752	S	26.6	Very low	32.9	Very low	86 Å²	86	115 Å²	115	60%	0.601	62%	0.619	S	S	*	*	S	Bend	trans	-175.6	114.2	163.9	47.4	0	0	0	0	108.4	F750	F750-S752 PolarHBondContact O-N 2.85Å; F750-S752 VanDerWaalsContact O-N 3.08Å
753	S	26.3	Very low	32	Very low	102 Å²	102	113.6 Å²	113.6	71%	0.713	63%	0.626	S	S	*	*	S	Bend	trans	61.3	119.3	171.5	43	0	0	0	0	117.2
754	N	30	Very low	31.2	Very low	92 Å²	92	116.4 Å²	116.4	49%	0.492	64%	0.638	S	S	.	*	S	Bend	trans	98.2	24.9	147.7	-51.1	-9.4	0	0	0	121.8
755	V	29.6	Very low	30.4	Very low	115 Å²	115	119.6 Å²	119.6	70%	0.697	65%	0.653	S	S	*	*			trans	-146.9	124.5	155.7	-173.5	0	0	0	0	109.9
756	I	36	Very low	29.6	Very low	107 Å²	107	120 Å²	120	55%	0.549	66%	0.662	S	S	.	*			trans	-75	131.2	-178.3	-65.2	173.8	0	0	0	110.4	F758	I756-F758 PolarHBondContact O-N 3.33Å
757	N	28	Very low	29.1	Very low	144 Å²	144	119.3 Å²	119.3	77%	0.77	65%	0.651	S	S	*	*			trans	-50.5	113.5	169.7	-80.4	-38.7	0	0	0	112.4	V759	N757-V759 HydrophobicContact CB-CG2 4.33Å; N757-V759 PolarHBondContact O-N 2.81Å
758	F	29.3	Very low	29.3	Very low	87 Å²	87	115.3 Å²	115.3	38%	0.382	63%	0.63	S	S	.	*			trans	-83.3	89.6	160.3	-70.1	-87.1	0	0	0	109.2	I639 A740 I756	I639-F758 HydrophobicContact CD1-CD1 4.02Å; I639-F758 HydrophobicContact CD1-CE1 3.69Å; A740-F758 HydrophobicContact CB-CB 4.44Å; A740-F758 HydrophobicContact CB-CD1 3.65Å; A740-F758 HydrophobicContact CB-CD2 3.74Å; A740-F758 HydrophobicContact CB-CE1 3.67Å; A740-F758 HydrophobicContact CB-CE2 3.76Å; A740-F758 HydrophobicContact CB-CG 3.68Å; A740-F758 HydrophobicContact CB-CZ 3.72Å; I756-F758 PolarHBondContact O-N 3.33Å
759	V	30.5	Very low	29.7	Very low	95 Å²	95	112.8 Å²	112.8	58%	0.576	62%	0.62	S	S	*	*			trans	-120.2	88.3	169.5	-175.4	0	0	0	0	108.3	N757 K761	N757-V759 HydrophobicContact CB-CG2 4.33Å; N757-V759 PolarHBondContact O-N 2.81Å; V759-K761 HydrophobicContact CG1-CD 4.48Å; V759-K761 HydrophobicContact CG1-CG 4.21Å; V759-K761 PolarHBondContact O-N 3.44Å
760	S	29.5	Very low	30.6	Very low	75 Å²	75	111.9 Å²	111.9	52%	0.524	61%	0.608	S	S	.	*			trans	-74.9	101.8	167.9	-178.7	0	0	0	0	108.9
761	K	24.9	Very low	31.8	Very low	177 Å²	177	105.6 Å²	105.6	77%	0.77	58%	0.582	S	S	*	*			trans	-128.1	107	161.4	-74.8	-173	177.8	-176	0	106.8	V759	V759-K761 HydrophobicContact CG1-CD 4.48Å; V759-K761 HydrophobicContact CG1-CG 4.21Å; V759-K761 PolarHBondContact O-N 3.44Å
762	N	25.9	Very low	33.6	Very low	149 Å²	149	99.8 Å²	99.8	80%	0.797	54%	0.541	S	S	*	.			trans	69.5	91.8	170.3	-55.5	-17.1	0	0	0	116.3	Q764	N762-Q764 VanDerWaalsContact C-N 3.29Å; N762-Q764 PolarHBondContact O-N 3.09Å; N762-Q764 VanDerWaalsContact O-N 3.08Å
763	V	26.4	Very low	36	Very low	107 Å²	107	95.8 Å²	95.8	65%	0.648	51%	0.513	S	S	*	.			trans	-79.4	81.6	162.2	-176.3	0	0	0	0	108.1
764	Q	25.5	Very low	38.8	Very low	165 Å²	165	91.3 Å²	91.3	77%	0.771	48%	0.482	S	S	*	.			trans	-92.4	143.2	155.9	-90.3	-176.7	-38.5	0	0	108.1	N762 S766	N762-Q764 VanDerWaalsContact C-N 3.29Å; N762-Q764 PolarHBondContact O-N 3.09Å; N762-Q764 VanDerWaalsContact O-N 3.08Å; Q764-S766 PolarHBondContact O-N 2.83Å
765	F	23.9	Very low	41.7	Very low	226 Å²	226	87 Å²	87	99%	0.991	46%	0.459	S	S	*	.			trans	-41.6	102.4	169.5	-92.7	-101	0	0	0	110.8
766	S	28.4	Very low	44.5	Very low	78 Å²	78	87.4 Å²	87.4	55%	0.545	45%	0.449	S	S	.	.			trans	-127.6	90.8	169.4	-179.6	0	0	0	0	107	K640 Q764 D768	K640-S766 PolarHBondContact NZ-O 2.98Å; Q764-S766 PolarHBondContact O-N 2.83Å; S766-D768 PolarHBondContact O-N 2.7Å
767	A	31.5	Very low	46.8	Very low	39 Å²	39	86.4 Å²	86.4	32%	0.322	45%	0.451	S	S	.	.			trans	-53	124.1	155.9	0	0	0	0	0	105.7	E769 V772 M898	A767-E769 PolarHBondContact O-N 2.84Å; A767-V772 HydrophobicContact CB-CG2 3.42Å; A767-V772 VanDerWaalsContact CB-CG2 3.42Å; A767-M898 HydrophobicContact CB-CE 3.82Å; A767-M898 HydrophobicContact CB-SD 4.25Å
768	D	39	Very low	49.5	Very low	30 Å²	30	81.1 Å²	81.1	16%	0.16	43%	0.431	C	S	.	.			trans	-50.3	114.9	-179	-171.2	5.6	0	0	0	106.7	H643 S766 E770 L771	H643-D768 IonicContact CE1-OD2 3.74Å; H643-D768 PolarHBondContact CE1-OD2 2.76Å; H643-D768 IonicContact ND1-OD2 3.17Å; H643-D768 PolarHBondContact ND1-OD2 3.42Å; H643-D768 IonicContact NE2-OD2 3.64Å; S766-D768 PolarHBondContact O-N 2.7Å; D768-E770 PolarHBondContact O-N 2.82Å; D768-L771 HydrophobicContact CB-CD1 4.37Å; D768-L771 PolarHBondContact O-N 2.75Å
769	E	44.7	Very low	52.3	Low	121 Å²	121	77 Å²	77	57%	0.565	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-52.7	-28.2	-170.9	-75	-173.5	158.8	0	0	110.2	A767 L771 V772 Q921 G922	A767-E769 PolarHBondContact O-N 2.84Å; E769-L771 PolarHBondContact O-N 3.41Å; E769-V772 PolarHBondContact O-N 3.2Å; E769-V772 VanDerWaalsContact O-O 3.13Å; E769-Q921 HydrophobicContact CB-CG 4.39Å; E769-Q921 WeakPolarHBondContact O-CG 3.23Å; E769-G922 PolarHBondContact O-N 3.01Å; E769-G922 VanDerWaalsContact O-N 3.14Å
770	E	48	Very low	55.2	Low	55 Å²	55	74.3 Å²	74.3	26%	0.257	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-66.6	-21.7	176.1	-84.4	-159.8	175.6	0	0	116.7	H643 D768 R908 Q921 R941	H643-E770 IonicContact CE1-OE2 2.75Å; D768-E770 PolarHBondContact O-N 2.82Å; E770-R908 IonicContact OE2-NH1 3.7Å; E770-R908 PolarHBondContact OE2-NH1 3.2Å; E770-Q921 VanDerWaalsContact CA-NE2 3.26Å; E770-Q921 VanDerWaalsContact N-NE2 3.17Å; E770-R941 VanDerWaalsContact CD-NE 3.27Å; E770-R941 PolarHBondContact O-NH2 3.09Å; E770-R941 IonicContact OE1-NE 2.99Å; E770-R941 WeakPolarHBondContact OE2-CD 3.45Å; E770-R941 IonicContact OE2-CZ 2.7Å; E770-R941 IonicContact OE2-NE 2.93Å; E770-R941 PolarHBondContact OE2-NE 2.03Å; E770-R941 IonicContact OE2-NH2 3.96Å
771	L	55.8	Low	58	Low	41 Å²	41	70.8 Å²	70.8	22%	0.215	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-102.6	-8	179.9	-73.2	172.9	0	0	0	113	D768 E769 M898 R908	D768-L771 HydrophobicContact CB-CD1 4.37Å; D768-L771 PolarHBondContact O-N 2.75Å; E769-L771 PolarHBondContact O-N 3.41Å; L771-M898 VanDerWaalsContact O-CA 3.3Å; L771-M898 WeakPolarHBondContact O-CA 3.21Å; L771-R908 HydrophobicContact CD2-CG 4.05Å
772	V	64.7	Low	61.1	Low	4 Å²	4	64 Å²	64	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.7	175.4	-171.6	0	0	0	0	108.5	A767 E769 W834 C896 M898 G922 C923	A767-V772 HydrophobicContact CB-CG2 3.42Å; A767-V772 VanDerWaalsContact CB-CG2 3.42Å; E769-V772 PolarHBondContact O-N 3.2Å; E769-V772 VanDerWaalsContact O-O 3.13Å; V772-W834 HydrophobicContact CG1-CH2 3.89Å; V772-W834 HydrophobicContact CG1-CZ2 4.18Å; V772-C896 HydrophobicContact CG1-CB 4.4Å; V772-M898 HydrophobicContact CB-CB 4.43Å; V772-M898 HydrophobicContact CG2-CB 3.96Å; V772-M898 HydrophobicContact CG2-SD 4.47Å; V772-G922 PolarHBondContact O-N 2.98Å; V772-C923 HydrophobicContact CG1-CB 3.37Å
773	T	78.6	Confident	63.9	Low	2 Å²	2	56.9 Å²	56.9	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.5	179.3	-54.7	0	0	0	0	109.5	F775 C896 M897 L909 L910 L919 H920	T773-F775 HydrophobicContact CG2-CD2 4.46Å; T773-F775 HydrophobicContact CG2-CE2 4.16Å; T773-C896 WeakPolarHBondContact O-CA 3.17Å; T773-M897 PolarHBondContact N-O 2.85Å; T773-M897 PolarHBondContact O-N 2.81Å; T773-L909 HydrophobicContact CG2-CB 4.35Å; T773-L909 HydrophobicContact CG2-CD1 4.47Å; T773-L910 HydrophobicContact CG2-CD1 4.42Å; T773-L910 HydrophobicContact CG2-CD2 4.14Å; T773-L910 HydrophobicContact CG2-CG 4.05Å; T773-L919 HydrophobicContact CG2-CB 3.71Å; T773-L919 HydrophobicContact CG2-CD1 3.98Å; T773-L919 HydrophobicContact CG2-CD2 4.17Å; T773-L919 HydrophobicContact CG2-CG 4.16Å; T773-H920 CarbonylContact C-O 3.59Å; T773-H920 WeakPolarHBondContact CA-O 3.32Å
774	T	85.5	Confident	66.4	Low	8 Å²	8	56.5 Å²	56.5	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.9	170.5	-61.2	0	0	0	0	109.2	Y776 G895 C896 L919 H920 G922	T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 4.38Å; T774-G895 CarbonylContact C-O 3.51Å; T774-G895 WeakPolarHBondContact CA-O 3.31Å; T774-C896 PolarHBondContact OG1-SG 2.92Å; T774-C896 VanDerWaalsContact OG1-SG 3.42Å; T774-L919 CarbonylContact O-C 3.48Å; T774-L919 VanDerWaalsContact O-CA 3.26Å; T774-L919 WeakPolarHBondContact O-CA 3.33Å; T774-H920 PolarHBondContact N-O 2.8Å; T774-H920 PolarHBondContact O-N 2.91Å; T774-G922 PolarHBondContact N-O 3.44Å; T774-G922 PolarHBondContact OG1-O 3.07Å
775	F	90.2	Very high	68.6	Low	2 Å²	2	48.8 Å²	48.8	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.6	172.8	-73.5	-111.3	0	0	0	108.7	T773 F876 F893 E894 G895 M897 L909 L919	T773-F775 HydrophobicContact CG2-CD2 4.46Å; T773-F775 HydrophobicContact CG2-CE2 4.16Å; F775-F876 HydrophobicContact CE1-CB 4.26Å; F775-F876 HydrophobicContact CZ-CB 4.1Å; F775-F893 HydrophobicContact CB-CD1 3.75Å; F775-F893 HydrophobicContact CB-CE1 4.05Å; F775-F893 HydrophobicContact CD1-CD1 4.08Å; F775-F893 AromaticContact CD2-CD1 3.87Å; F775-F893 HydrophobicContact CD2-CD1 3.87Å; F775-F893 AromaticContact CD2-CE1 3.7Å; F775-F893 HydrophobicContact CD2-CE1 3.7Å; F775-F893 HydrophobicContact CE2-CD1 4.5Å; F775-F893 HydrophobicContact CE2-CE1 4.35Å; F775-F893 AromaticContact CG-CD1 3.64Å; F775-F893 HydrophobicContact CG-CD1 3.64Å; F775-F893 AromaticContact CG-CE1 3.93Å; F775-F893 HydrophobicContact CG-CE1 3.93Å; F775-E894 WeakPolarHBondContact O-CA 3.35Å; F775-G895 PolarHBondContact N-O 2.91Å; F775-G895 PolarHBondContact O-N 3.26Å; F775-G895 VanDerWaalsContact O-N 3.14Å; F775-M897 HydrophobicContact CD2-CB 4.38Å; F775-M897 HydrophobicContact CE2-CB 3.84Å; F775-L909 HydrophobicContact CE2-CD1 3.71Å; F775-L909 HydrophobicContact CZ-CD1 3.67Å; F775-L919 HydrophobicContact CB-CD2 4.15Å; F775-L919 HydrophobicContact CD1-CD2 3.25Å; F775-L919 HydrophobicContact CD2-CD2 3.9Å; F775-L919 HydrophobicContact CE1-CD1 4.49Å; F775-L919 HydrophobicContact CE1-CD2 3.46Å; F775-L919 VanDerWaalsContact CE1-CD2 3.46Å; F775-L919 HydrophobicContact CE2-CD2 4.07Å; F775-L919 HydrophobicContact CG-CD2 3.48Å; F775-L919 VanDerWaalsContact CG-CD2 3.48Å; F775-L919 HydrophobicContact CZ-CD1 4.49Å; F775-L919 HydrophobicContact CZ-CD2 3.88Å
776	Y	87.3	Confident	70.5	Confident	124 Å²	124	42 Å²	42	49%	0.486	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	171.1	169.3	-63.5	-72.8	0	0	0	110.8	T774 G778 G779 Y918 H920	T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 4.38Å; Y776-G778 PolarHBondContact O-N 3.42Å; Y776-G779 WeakPolarHBondContact O-CA 3.09Å; Y776-G779 PolarHBondContact O-N 3.18Å; Y776-Y918 PolarHBondContact N-O 3.03Å; Y776-H920 HydrophobicContact CE2-CB 3.68Å
777	S	85.7	Confident	71.6	Confident	85 Å²	85	44.8 Å²	44.8	59%	0.594	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.4	123	176.9	171.6	0	0	0	0	111.6	G779	S777-G779 VanDerWaalsContact C-N 3.3Å
778	G	84.2	Confident	72.4	Confident	34 Å²	34	46.5 Å²	46.5	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-1.8	-177.1	0	0	0	0	0	115.1	Y776	Y776-G778 PolarHBondContact O-N 3.42Å
779	G	88.5	Confident	72.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.7	-178	0	0	0	0	0	113.7	Y776 S777 G877 S878 E917	Y776-G779 WeakPolarHBondContact O-CA 3.09Å; Y776-G779 PolarHBondContact O-N 3.18Å; S777-G779 VanDerWaalsContact C-N 3.3Å; G779-G877 WeakPolarHBondContact O-CA 3.43Å; G779-S878 PolarHBondContact O-N 2.93Å; G779-E917 CarbonylContact C-O 3.48Å; G779-E917 WeakPolarHBondContact CA-O 3.31Å
780	Y	90.3	Very high	73.2	Confident	39 Å²	39	43.1 Å²	43.1	15%	0.153	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.1	178.7	75	-87.8	0	0	0	111.9	R875 F876 F916 E917	Y780-R875 HydrophobicContact CD2-CG 4.33Å; Y780-F876 CarbonylContact C-O 3.54Å; Y780-F876 WeakPolarHBondContact CA-O 3.34Å; Y780-F876 WeakPolarHBondContact CB-O 3.33Å; Y780-F916 CarbonylContact O-C 3.48Å; Y780-F916 WeakPolarHBondContact O-CA 3.28Å; Y780-F916 WeakPolarHBondContact O-CB 3.34Å; Y780-E917 HydrophobicContact CD1-CB 4.03Å; Y780-E917 HydrophobicContact CE1-CB 3.66Å; Y780-E917 HydrophobicContact CE1-CG 3.69Å; Y780-E917 PolarHBondContact N-O 3.16Å; Y780-E917 PolarHBondContact O-N 2.88Å
781	A	89.2	Confident	73.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.5	166.9	0	0	0	0	0	110.1	R875 F876 L909 C913 F916 L919	A781-R875 CarbonylContact O-C 3.09Å; A781-R875 WeakPolarHBondContact O-CA 3.46Å; A781-F876 HydrophobicContact CB-CB 4.42Å; A781-F876 PolarHBondContact N-O 3.07Å; A781-F876 PolarHBondContact O-N 3.31Å; A781-L909 HydrophobicContact CB-CB 4.29Å; A781-L909 HydrophobicContact CB-CD2 3.98Å; A781-C913 HydrophobicContact CB-CB 4.34Å; A781-F916 HydrophobicContact CB-CB 4.26Å; A781-L919 HydrophobicContact CB-CD1 3.72Å
782	L	89.4	Confident	72.7	Confident	34 Å²	34	50.1 Å²	50.1	18%	0.178	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.4	176.8	-168.9	70.9	0	0	0	109.5	L873 F874 R875 C913 V914 S915	L782-L873 HydrophobicContact CD1-CB 4.05Å; L782-L873 HydrophobicContact CD1-CD2 4.37Å; L782-L873 HydrophobicContact CD2-CD2 4.02Å; L782-L873 HydrophobicContact CG-CD2 3.92Å; L782-F874 CarbonylContact C-O 3.53Å; L782-F874 WeakPolarHBondContact CA-O 3.35Å; L782-R875 HydrophobicContact CD1-CB 4.09Å; L782-R875 HydrophobicContact CD1-CG 4.47Å; L782-C913 CarbonylContact O-C 3.57Å; L782-C913 WeakPolarHBondContact O-CA 3.28Å; L782-C913 WeakPolarHBondContact O-CB 3.49Å; L782-V914 HydrophobicContact CB-CB 4.46Å; L782-V914 HydrophobicContact CD2-CB 4.13Å; L782-V914 HydrophobicContact CD2-CG1 4.22Å; L782-V914 HydrophobicContact CG-CB 4.38Å; L782-V914 PolarHBondContact O-N 3.32Å; L782-S915 WeakPolarHBondContact CB-OG 3.46Å; L782-S915 PolarHBondContact N-O 3.15Å
783	V	85.8	Confident	72.1	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.7	-173.5	-179.2	0	0	0	0	109.9	L873 F874 F876 I902 K907 L909 C913	V783-L873 WeakPolarHBondContact O-CA 3.45Å; V783-F874 HydrophobicContact CB-CB 4.49Å; V783-F874 PolarHBondContact N-O 3.33Å; V783-F874 PolarHBondContact O-N 3.22Å; V783-F876 HydrophobicContact CB-CD2 4.43Å; V783-F876 HydrophobicContact CB-CE2 4.21Å; V783-F876 HydrophobicContact CG2-CD2 3.91Å; V783-F876 HydrophobicContact CG2-CE2 4.02Å; V783-I902 HydrophobicContact CG1-CD1 4.01Å; V783-K907 HydrophobicContact CG1-CB 3.89Å; V783-K907 HydrophobicContact CG1-CD 3.67Å; V783-K907 HydrophobicContact CG1-CG 3.65Å; V783-L909 HydrophobicContact CG2-CD2 3.9Å; V783-C913 HydrophobicContact CG2-CB 4.32Å
784	E	79.2	Confident	71.5	Confident	99 Å²	99	59.2 Å²	59.2	46%	0.463	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.5	178.2	-166.3	176.5	-173.1	0	0	111.4	R872 L873 V914	E784-R872 WeakPolarHBondContact CA-O 3.16Å; E784-R872 HydrophobicContact CG-CB 4.2Å; E784-L873 HydrophobicContact CB-CD2 3.93Å; E784-L873 HydrophobicContact CG-CD2 4.14Å; E784-V914 HydrophobicContact CB-CG2 3.75Å
785	T	70.3	Confident	70.9	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-90.5	141.5	171.2	54.7	0	0	0	0	111.6	V790 R872 F874 I902	T785-V790 HydrophobicContact CG2-CG2 4.25Å; T785-V790 WeakPolarHBondContact OG1-CG2 3.32Å; T785-R872 PolarHBondContact N-O 2.71Å; T785-R872 PolarHBondContact OG1-O 2.9Å; T785-F874 HydrophobicContact CG2-CD2 3.95Å; T785-F874 HydrophobicContact CG2-CE2 3.63Å; T785-I902 HydrophobicContact CG2-CB 4.48Å; T785-I902 HydrophobicContact CG2-CD1 4.25Å; T785-I902 HydrophobicContact CG2-CG2 3.68Å
786	V	63.7	Low	70.3	Confident	83 Å²	83	61.1 Å²	61.1	50%	0.503	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-70.6	146.3	178.8	-169.7	0	0	0	0	109.8	S788 E789	V786-S788 PolarHBondContact O-N 3.2Å; V786-E789 HydrophobicContact CB-CG 4.13Å; V786-E789 PolarHBondContact N-OE2 2.65Å; V786-E789 WeakPolarHBondContact O-CB 3.21Å; V786-E789 PolarHBondContact O-N 2.91Å
787	K	53	Low	69.9	Low	138 Å²	138	57.3 Å²	57.3	60%	0.6	32%	0.323	S	S	*	.	H	α-helix	trans	-50.2	-32.7	-177.2	-136.5	178.9	-175.5	-175.9	0	114.1
788	S	47.3	Very low	69.9	Low	75 Å²	75	53.5 Å²	53.5	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-79.8	-20.1	178.8	59.3	0	0	0	0	114.3	V786 T792	V786-S788 PolarHBondContact O-N 3.2Å; S788-T792 PolarHBondContact O-OG1 2.96Å
789	E	49.2	Very low	69.8	Low	31 Å²	31	52.9 Å²	52.9	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-77.4	-27.7	-172.5	-71.1	171.4	172.2	0	0	112.9	V786 N903 V905 K907	V786-E789 HydrophobicContact CB-CG 4.13Å; V786-E789 PolarHBondContact N-OE2 2.65Å; V786-E789 WeakPolarHBondContact O-CB 3.21Å; V786-E789 PolarHBondContact O-N 2.91Å; E789-N903 PolarHBondContact O-ND2 2.96Å; E789-V905 WeakPolarHBondContact OE1-CG2 3.34Å; E789-K907 IonicContact OE1-NZ 2.91Å; E789-K907 IonicContact OE2-NZ 3.41Å; E789-K907 PolarHBondContact OE2-NZ 3.21Å
790	V	50.7	Low	69.6	Low	49 Å²	49	53.2 Å²	53.2	30%	0.297	29%	0.288	S	S	.	.	H	α-helix	trans	-105.6	-28.5	-174.1	-175.5	0	0	0	0	112.4	T785 T792 M796	T785-V790 HydrophobicContact CG2-CG2 4.25Å; T785-V790 WeakPolarHBondContact OG1-CG2 3.32Å; V790-T792 PolarHBondContact O-N 2.99Å; V790-M796 HydrophobicContact CG2-CE 4.1Å
791	D	48.8	Very low	69.3	Low	124 Å²	124	52.2 Å²	52.2	66%	0.663	29%	0.286	S	S	*	.	S	Bend	trans	-85.3	-2.6	-177	-72.9	-22.7	0	0	0	113.7
792	T	46.1	Very low	69.2	Low	118 Å²	118	52.6 Å²	52.6	72%	0.724	29%	0.288	S	S	*	.	S	Bend	trans	-125	-4.9	-175.2	62.8	0	0	0	0	115.5	S788 V790	S788-T792 PolarHBondContact O-OG1 2.96Å; V790-T792 PolarHBondContact O-N 2.99Å
793	A	51.8	Low	69.1	Low	45 Å²	45	53.9 Å²	53.9	37%	0.372	29%	0.291	S	S	.	.			trans	-103.9	121.4	-175.4	0	0	0	0	0	111.3	V795	A793-V795 WeakPolarHBondContact CB-O 3.01Å; A793-V795 PolarHBondContact O-N 3.25Å; A793-V795 VanDerWaalsContact O-N 3.08Å
794	E	65.1	Low	69.3	Low	152 Å²	152	54 Å²	54	71%	0.71	29%	0.291	S	S	*	.	S	Bend	trans	-55.8	-21.3	168.4	-67.4	-179.4	164.8	0	0	112	D843	E794-D843 PolarHBondContact O-N 3Å
795	V	73.2	Confident	69.7	Low	31 Å²	31	52.6 Å²	52.6	19%	0.188	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	122.9	-178.1	-171.1	0	0	0	0	110.8	A793 Q797 K840 H841 Y842	A793-V795 WeakPolarHBondContact CB-O 3.01Å; A793-V795 PolarHBondContact O-N 3.25Å; A793-V795 VanDerWaalsContact O-N 3.08Å; V795-Q797 HydrophobicContact CG1-CG 4Å; V795-K840 HydrophobicContact CG1-CB 3.83Å; V795-K840 HydrophobicContact CG1-CD 4.43Å; V795-K840 HydrophobicContact CG1-CG 4.44Å; V795-H841 CarbonylContact C-O 3.56Å; V795-H841 WeakPolarHBondContact CA-O 3.41Å; V795-Y842 HydrophobicContact CB-CD1 4.39Å; V795-Y842 HydrophobicContact CG1-CD1 4.29Å; V795-Y842 HydrophobicContact CG1-CD2 4.47Å; V795-Y842 HydrophobicContact CG1-CE1 4.23Å; V795-Y842 HydrophobicContact CG1-CE2 4.38Å; V795-Y842 HydrophobicContact CG1-CG 4.4Å; V795-Y842 HydrophobicContact CG2-CD1 3.32Å; V795-Y842 HydrophobicContact CG2-CE1 3.45Å; V795-Y842 VanDerWaalsContact CG2-CE1 3.45Å; V795-Y842 HydrophobicContact CG2-CG 4.08Å
796	M	76.9	Confident	70.5	Confident	19 Å²	19	55.5 Å²	55.5	9%	0.094	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.3	163.6	171.6	172.6	-105.2	0	0	109.9	V790 I798 R814 K840 H841 F874 I902 N903	V790-M796 HydrophobicContact CG2-CE 4.1Å; M796-I798 HydrophobicContact CG-CG1 4.45Å; M796-I798 HydrophobicContact SD-CD1 4.49Å; M796-R814 PolarHBondContact SD-NH1 2.89Å; M796-K840 CarbonylContact O-C 3.55Å; M796-K840 VanDerWaalsContact O-CA 3.29Å; M796-K840 WeakPolarHBondContact O-CA 3.45Å; M796-H841 HydrophobicContact CB-CB 4.46Å; M796-H841 PolarHBondContact N-O 3.2Å; M796-H841 PolarHBondContact O-N 2.83Å; M796-F874 HydrophobicContact CE-CE2 3.79Å; M796-F874 HydrophobicContact CE-CZ 3.38Å; M796-F874 HydrophobicContact SD-CZ 3.79Å; M796-I902 HydrophobicContact CE-CG2 4.36Å; M796-N903 VanDerWaalsContact CA-OD1 3.29Å; M796-N903 WeakPolarHBondContact CA-OD1 3.48Å
797	Q	80.4	Confident	71.7	Confident	45 Å²	45	54.8 Å²	54.8	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.5	178.8	-58.5	-171.4	-19	0	0	111	V795 L839 K840 I902 N903	V795-Q797 HydrophobicContact CG1-CG 4Å; Q797-L839 CarbonylContact C-O 3.55Å; Q797-L839 VanDerWaalsContact CA-O 3.28Å; Q797-L839 WeakPolarHBondContact CA-O 3.36Å; Q797-K840 HydrophobicContact CG-CG 4.14Å; Q797-I902 CarbonylContact O-C 3.56Å; Q797-I902 WeakPolarHBondContact O-CA 3.48Å; Q797-N903 PolarHBondContact N-OD1 3Å; Q797-N903 PolarHBondContact O-N 2.87Å; Q797-N903 PolarHBondContact O-OD1 3.04Å
798	I	84.9	Confident	73.3	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.8	173.4	-55.2	174.4	0	0	0	107.4	M796 F800 F812 L838 L839 F874 K901	M796-I798 HydrophobicContact CG-CG1 4.45Å; M796-I798 HydrophobicContact SD-CD1 4.49Å; I798-F800 HydrophobicContact CG2-CD1 4.15Å; I798-F800 HydrophobicContact CG2-CE1 4.25Å; I798-F812 HydrophobicContact CD1-CE2 3.8Å; I798-F812 HydrophobicContact CD1-CZ 3.91Å; I798-L838 CarbonylContact O-C 3.41Å; I798-L838 WeakPolarHBondContact O-CA 3.09Å; I798-L839 HydrophobicContact CB-CB 4.4Å; I798-L839 HydrophobicContact CD1-CD2 4.41Å; I798-L839 PolarHBondContact N-O 2.86Å; I798-L839 PolarHBondContact O-N 2.82Å; I798-F874 HydrophobicContact CD1-CD1 4.06Å; I798-F874 HydrophobicContact CD1-CE1 3.36Å; I798-F874 HydrophobicContact CD1-CZ 3.95Å; I798-F874 HydrophobicContact CG1-CE1 4.49Å; I798-K901 WeakPolarHBondContact CA-O 3.43Å
799	S	82.3	Confident	75.3	Confident	21 Å²	21	51.2 Å²	51.2	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.8	174.3	56.4	0	0	0	0	112.3	V837 V900 K901	S799-V837 CarbonylContact C-O 3.55Å; S799-V837 WeakPolarHBondContact CA-O 3.45Å; S799-V837 WeakPolarHBondContact CB-O 3.32Å; S799-V900 CarbonylContact O-C 3.51Å; S799-V900 WeakPolarHBondContact O-CA 2.97Å; S799-K901 PolarHBondContact N-O 2.86Å; S799-K901 PolarHBondContact O-N 2.9Å; S799-K901 WeakPolarHBondContact OG-CB 3.42Å
800	F	84.7	Confident	77.1	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	166.8	176.3	54	-89.2	0	0	0	109.1	I798 F802 L811 F812 V837 M897 V900	I798-F800 HydrophobicContact CG2-CD1 4.15Å; I798-F800 HydrophobicContact CG2-CE1 4.25Å; F800-F802 HydrophobicContact CD2-CB 4.38Å; F800-F802 HydrophobicContact CD2-CD1 4.22Å; F800-F802 AromaticContact CE2-CD1 3.83Å; F800-F802 HydrophobicContact CE2-CD1 3.83Å; F800-F802 HydrophobicContact CE2-CG 4.49Å; F800-L811 HydrophobicContact CE2-CD1 3.98Å; F800-L811 HydrophobicContact CE2-CD2 4.47Å; F800-L811 HydrophobicContact CZ-CB 4.32Å; F800-L811 HydrophobicContact CZ-CD1 4.06Å; F800-F812 AromaticContact CE1-CD1 3.98Å; F800-F812 HydrophobicContact CE1-CD1 3.98Å; F800-F812 AromaticContact CE1-CE1 3.89Å; F800-F812 HydrophobicContact CE1-CE1 3.89Å; F800-F812 HydrophobicContact CZ-CD1 4.21Å; F800-F812 HydrophobicContact CZ-CE1 4.25Å; F800-V837 HydrophobicContact CD2-CB 4.34Å; F800-V837 HydrophobicContact CD2-CG2 4.49Å; F800-V837 HydrophobicContact CE1-CB 4.3Å; F800-V837 HydrophobicContact CE1-CG1 4.23Å; F800-V837 HydrophobicContact CE2-CB 3.98Å; F800-V837 HydrophobicContact CE2-CG1 4.5Å; F800-V837 HydrophobicContact CE2-CG2 3.93Å; F800-V837 HydrophobicContact CZ-CB 3.96Å; F800-V837 HydrophobicContact CZ-CG1 3.99Å; F800-V837 HydrophobicContact CZ-CG2 4.22Å; F800-V837 PolarHBondContact N-O 2.96Å; F800-V837 PolarHBondContact O-N 3Å; F800-M897 HydrophobicContact CB-CG 4.11Å; F800-M897 HydrophobicContact CB-SD 4.3Å; F800-M897 HydrophobicContact CD2-CE 4.07Å; F800-M897 HydrophobicContact CD2-CG 4.1Å; F800-M897 HydrophobicContact CD2-SD 4.11Å; F800-M897 HydrophobicContact CE2-CE 4.15Å; F800-M897 HydrophobicContact CG-CG 4.37Å; F800-M897 HydrophobicContact CG-SD 4.19Å; F800-V900 HydrophobicContact CB-CB 4.42Å; F800-V900 HydrophobicContact CB-CG2 3.93Å
801	S	82.8	Confident	79	Confident	18 Å²	18	50.3 Å²	50.3	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.7	166.3	-46.3	0	0	0	0	109.2	H835 S836 M897 M898	S801-H835 CarbonylContact C-O 3.6Å; S801-H835 WeakPolarHBondContact CA-O 3.31Å; S801-H835 WeakPolarHBondContact CB-O 3.46Å; S801-S836 PolarHBondContact OG-OG 3.39Å; S801-M897 CarbonylContact O-C 3.56Å; S801-M897 VanDerWaalsContact O-CA 3.31Å; S801-M897 WeakPolarHBondContact O-CA 3.46Å; S801-M898 PolarHBondContact N-O 2.81Å; S801-M898 PolarHBondContact O-N 3.29Å
802	F	88.1	Confident	80.9	Confident	9 Å²	9	46.6 Å²	46.6	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.2	-180	76.5	-82.9	0	0	0	111.9	F800 T804 L811 L829 W834 H835 V837 F893 C896	F800-F802 HydrophobicContact CD2-CB 4.38Å; F800-F802 HydrophobicContact CD2-CD1 4.22Å; F800-F802 AromaticContact CE2-CD1 3.83Å; F800-F802 HydrophobicContact CE2-CD1 3.83Å; F800-F802 HydrophobicContact CE2-CG 4.49Å; F802-T804 HydrophobicContact CD2-CG2 4Å; F802-T804 HydrophobicContact CE2-CG2 3.85Å; F802-L811 HydrophobicContact CB-CD2 4.36Å; F802-L811 HydrophobicContact CD1-CD1 4.32Å; F802-L811 HydrophobicContact CD1-CD2 4.44Å; F802-L811 HydrophobicContact CD2-CD2 4.04Å; F802-L811 HydrophobicContact CE1-CD1 4.12Å; F802-L811 HydrophobicContact CE2-CD2 4.45Å; F802-L811 HydrophobicContact CG-CD2 4.02Å; F802-L811 HydrophobicContact CZ-CD1 4.28Å; F802-L829 HydrophobicContact CE1-CD1 4.47Å; F802-L829 HydrophobicContact CE2-CB 4.25Å; F802-L829 HydrophobicContact CZ-CB 3.84Å; F802-L829 HydrophobicContact CZ-CD1 3.88Å; F802-L829 HydrophobicContact CZ-CG 4.44Å; F802-W834 CarbonylContact O-C 3.55Å; F802-W834 WeakPolarHBondContact O-CA 3.27Å; F802-H835 HydrophobicContact CD1-CB 4.41Å; F802-H835 HydrophobicContact CE1-CB 3.98Å; F802-H835 HydrophobicContact CZ-CB 4.25Å; F802-H835 PolarHBondContact N-O 2.76Å; F802-H835 PolarHBondContact O-N 2.89Å; F802-V837 HydrophobicContact CD1-CG2 3.85Å; F802-V837 HydrophobicContact CE1-CG2 3.55Å; F802-F893 HydrophobicContact CB-CE2 4.28Å; F802-F893 HydrophobicContact CB-CZ 4.03Å; F802-F893 AromaticContact CD2-CE2 3.95Å; F802-F893 HydrophobicContact CD2-CE2 3.95Å; F802-F893 HydrophobicContact CD2-CZ 4.48Å; F802-F893 HydrophobicContact CG-CE2 4.47Å; F802-C896 CarbonylContact C-O 3.54Å; F802-C896 WeakPolarHBondContact CA-O 3.47Å
803	R	86.7	Confident	82.8	Confident	60 Å²	60	43.3 Å²	43.3	23%	0.226	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.5	164.7	67	174.2	-172.5	172.9	-2.6	110.1	M832 N833 W834 G895 C896 C923	R803-M832 WeakPolarHBondContact CD-O 3.11Å; R803-N833 WeakPolarHBondContact CA-O 3.43Å; R803-N833 WeakPolarHBondContact CB-O 3.48Å; R803-W834 HydrophobicContact CB-CD2 4.31Å; R803-W834 HydrophobicContact CB-CE3 4.33Å; R803-W834 HydrophobicContact CG-CD2 4.22Å; R803-W834 HydrophobicContact CG-CE3 4.32Å; R803-W834 HydrophobicContact CG-CH2 4.34Å; R803-W834 HydrophobicContact CG-CZ2 4.24Å; R803-W834 HydrophobicContact CG-CZ3 4.37Å; R803-G895 CarbonylContact O-C 3.59Å; R803-G895 WeakPolarHBondContact O-CA 3.39Å; R803-C896 HydrophobicContact CG-CB 3.97Å; R803-C896 PolarHBondContact N-O 2.87Å; R803-C896 PolarHBondContact O-N 3.07Å; R803-C923 PolarHBondContact NE-SG 3.43Å; R803-C923 PolarHBondContact NH2-O 3.06Å; R803-C923 PolarHBondContact NH2-SG 2.94Å
804	T	89.4	Confident	84.2	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	162.6	-177.2	-177.2	0	0	0	0	111	F802 K806 N830 M832 F893 E894	F802-T804 HydrophobicContact CD2-CG2 4Å; F802-T804 HydrophobicContact CE2-CG2 3.85Å; T804-K806 PolarHBondContact OG1-N 2.6Å; T804-N830 CarbonylContact O-C 3.57Å; T804-N830 WeakPolarHBondContact O-CA 3.47Å; T804-M832 PolarHBondContact O-N 2.68Å; T804-F893 HydrophobicContact CG2-CE2 4.14Å; T804-E894 WeakPolarHBondContact CB-O 3.25Å; T804-E894 PolarHBondContact OG1-O 2.83Å
805	S	87.7	Confident	84.5	Confident	70 Å²	70	40.7 Å²	40.7	49%	0.49	22%	0.219	S	C	.	.	S	Bend	trans	-102.9	-9.1	166.5	51	0	0	0	0	112.6	N830 M832	S805-N830 PolarHBondContact O-ND2 2.87Å; S805-M832 PolarHBondContact N-SD 3.22Å; S805-M832 VanDerWaalsContact N-SD 3.38Å
806	K	88.9	Confident	84.3	Confident	64 Å²	64	40.4 Å²	40.4	28%	0.278	22%	0.223	S	C	.	.			trans	-77.7	123.9	178.8	-64.8	-74.1	-179.2	149.1	0	109.9	T804 C809 N830 E894	T804-K806 PolarHBondContact OG1-N 2.6Å; K806-C809 HydrophobicContact CB-CB 4.16Å; K806-N830 WeakPolarHBondContact O-CB 3.28Å; K806-E894 WeakPolarHBondContact CE-OE1 3.38Å; K806-E894 WeakPolarHBondContact CE-OE2 3.5Å; K806-E894 HydrophobicContact CG-CB 4.07Å; K806-E894 VanDerWaalsContact NZ-CD 3.26Å; K806-E894 IonicContact NZ-OE1 3.67Å; K806-E894 PolarHBondContact NZ-OE1 3.05Å; K806-E894 IonicContact NZ-OE2 3.37Å; K806-E894 PolarHBondContact NZ-OE2 2.89Å
807	A	87.2	Confident	83.8	Confident	69 Å²	69	42.8 Å²	42.8	57%	0.57	24%	0.235	S	C	*	.	S	Bend	trans	-73.9	-41.8	175.1	0	0	0	0	0	112
808	D	88.1	Confident	83.1	Confident	109 Å²	109	49.7 Å²	49.7	58%	0.583	27%	0.268	S	S	*	.	S	Bend	trans	-118.1	96.2	-174.8	-57.5	-69	0	0	0	111.1	T891	D808-T891 PolarHBondContact O-N 2.77Å; D808-T891 PolarHBondContact O-OG1 3.38Å
809	C	88.2	Confident	82.2	Confident	29 Å²	29	57.3 Å²	57.3	20%	0.196	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.2	178	64.2	0	0	0	0	114.1	K806 T891 F893	K806-C809 HydrophobicContact CB-CB 4.16Å; C809-T891 CarbonylContact C-O 3.57Å; C809-T891 WeakPolarHBondContact CA-O 3.39Å; C809-F893 HydrophobicContact CB-CB 4.5Å
810	I	87.7	Confident	81.5	Confident	21 Å²	21	59 Å²	59	11%	0.108	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118	171.9	-59.8	-175.2	0	0	0	109.7	F812 H813 P879 L887 V890 T891 F893	I810-F812 WeakPolarHBondContact CG2-O 3.01Å; I810-H813 HydrophobicContact CG2-CB 4.41Å; I810-P879 HydrophobicContact CD1-CB 4.01Å; I810-P879 HydrophobicContact CD1-CG 3.84Å; I810-L887 HydrophobicContact CD1-CB 4.48Å; I810-L887 HydrophobicContact CD1-CD1 3.45Å; I810-L887 VanDerWaalsContact CD1-CD1 3.45Å; I810-V890 HydrophobicContact CD1-CG1 4.39Å; I810-V890 HydrophobicContact CG1-CB 4.5Å; I810-V890 HydrophobicContact CG1-CG1 3.57Å; I810-T891 PolarHBondContact N-O 3.39Å; I810-F893 WeakPolarHBondContact O-CB 3.47Å; I810-F893 PolarHBondContact O-N 2.75Å
811	L	90.4	Very high	81.3	Confident	39 Å²	39	60.4 Å²	60.4	20%	0.204	32%	0.324	C	S	.	.	S	Bend	trans	-75.5	-45	175.3	-70.2	165.1	0	0	0	111.8	F800 F802 F876 G877 F893 M897	F800-L811 HydrophobicContact CE2-CD1 3.98Å; F800-L811 HydrophobicContact CE2-CD2 4.47Å; F800-L811 HydrophobicContact CZ-CB 4.32Å; F800-L811 HydrophobicContact CZ-CD1 4.06Å; F802-L811 HydrophobicContact CB-CD2 4.36Å; F802-L811 HydrophobicContact CD1-CD1 4.32Å; F802-L811 HydrophobicContact CD1-CD2 4.44Å; F802-L811 HydrophobicContact CD2-CD2 4.04Å; F802-L811 HydrophobicContact CE1-CD1 4.12Å; F802-L811 HydrophobicContact CE2-CD2 4.45Å; F802-L811 HydrophobicContact CG-CD2 4.02Å; F802-L811 HydrophobicContact CZ-CD1 4.28Å; L811-F876 WeakPolarHBondContact O-CA 3.37Å; L811-G877 PolarHBondContact O-N 2.54Å; L811-F893 HydrophobicContact CD2-CB 4.47Å; L811-F893 HydrophobicContact CD2-CD2 3.29Å; L811-F893 HydrophobicContact CD2-CE2 3.42Å; L811-F893 VanDerWaalsContact CD2-CE2 3.42Å; L811-F893 HydrophobicContact CD2-CG 3.9Å; L811-F893 HydrophobicContact CD2-CZ 4.15Å; L811-F893 HydrophobicContact CG-CD2 4.44Å; L811-M897 HydrophobicContact CB-CE 4.39Å; L811-M897 HydrophobicContact CD2-CE 4Å
812	F	89.2	Confident	81.4	Confident	46 Å²	46	64.8 Å²	64.8	20%	0.202	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	163	172.5	74.4	-84.8	0	0	0	111.5	I798 F800 I810 L839 F874 R875 F876	I798-F812 HydrophobicContact CD1-CE2 3.8Å; I798-F812 HydrophobicContact CD1-CZ 3.91Å; F800-F812 AromaticContact CE1-CD1 3.98Å; F800-F812 HydrophobicContact CE1-CD1 3.98Å; F800-F812 AromaticContact CE1-CE1 3.89Å; F800-F812 HydrophobicContact CE1-CE1 3.89Å; F800-F812 HydrophobicContact CZ-CD1 4.21Å; F800-F812 HydrophobicContact CZ-CE1 4.25Å; I810-F812 WeakPolarHBondContact CG2-O 3.01Å; F812-L839 HydrophobicContact CZ-CD2 4.02Å; F812-F874 HydrophobicContact CD2-CD1 4.04Å; F812-F874 HydrophobicContact CE2-CD1 4.23Å; F812-F874 HydrophobicContact CE2-CE1 4.33Å; F812-R875 CarbonylContact C-O 3.54Å; F812-R875 WeakPolarHBondContact CA-O 3.38Å; F812-R875 WeakPolarHBondContact CB-O 3.43Å; F812-F876 HydrophobicContact CB-CB 4.48Å; F812-F876 HydrophobicContact CB-CD1 3.63Å; F812-F876 HydrophobicContact CB-CE1 3.89Å; F812-F876 HydrophobicContact CB-CG 4.01Å; F812-F876 HydrophobicContact CB-CZ 4.47Å; F812-F876 HydrophobicContact CD1-CE1 4.41Å; F812-F876 HydrophobicContact CG-CD1 4.41Å; F812-F876 HydrophobicContact CG-CE1 4.2Å
813	H	84.5	Confident	81.1	Confident	50 Å²	50	65.9 Å²	65.9	23%	0.231	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.5	175	158.5	-89.1	0	0	0	110.2	I810 R875	I810-H813 HydrophobicContact CG2-CB 4.41Å; H813-R875 PolarHBondContact N-O 2.78Å; H813-R875 PolarHBondContact O-N 3.11Å
814	R	81	Confident	80.9	Confident	11 Å²	11	69.6 Å²	69.6	4%	0.042	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.5	168.5	170.6	-179.4	68.2	158.5	7.2	108.7	M796 D817 D871 F874	M796-R814 PolarHBondContact SD-NH1 2.89Å; R814-D817 WeakPolarHBondContact CB-OD2 3.34Å; R814-D817 IonicContact CZ-OD1 3.86Å; R814-D817 IonicContact CZ-OD2 3.74Å; R814-D817 IonicContact NE-OD1 2.71Å; R814-D817 PolarHBondContact NE-OD1 3.16Å; R814-D817 IonicContact NE-OD2 3.06Å; R814-D817 PolarHBondContact NE-OD2 2.87Å; R814-D817 IonicContact NH2-OD1 3.67Å; R814-D817 PolarHBondContact NH2-OD1 2.89Å; R814-D817 IonicContact NH2-OD2 3.71Å; R814-D817 PolarHBondContact NH2-OD2 2.79Å; R814-D871 VanDerWaalsContact CD-O 3.26Å; R814-D871 WeakPolarHBondContact CD-O 3.41Å; R814-F874 HydrophobicContact CB-CD1 3.96Å; R814-F874 HydrophobicContact CB-CE1 3.91Å; R814-F874 VanDerWaalsContact CD-CZ 3.46Å; R814-F874 HydrophobicContact CG-CE1 4.34Å
815	H	73.3	Confident	80.5	Confident	131 Å²	131	71.5 Å²	71.5	61%	0.606	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	135.9	-179.7	-168.5	57.4	0	0	0	111.2	D871	H815-D871 HydrophobicContact CB-CB 4.08Å; H815-D871 PolarHBondContact O-N 2.67Å
816	G	67.9	Low	80.3	Confident	25 Å²	25	74.1 Å²	74.1	26%	0.258	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-6.3	-177.2	0	0	0	0	0	115.2	E818 V868	G816-E818 PolarHBondContact O-N 2.86Å; G816-V868 WeakPolarHBondContact O-CG1 3.21Å
817	D	66.8	Low	80.1	Confident	68 Å²	68	75.3 Å²	75.3	36%	0.364	42%	0.419	S	S	.	.			trans	-83.4	105.2	175.3	-70.7	-29.6	0	0	0	110.8	R814 Y870	R814-D817 WeakPolarHBondContact CB-OD2 3.34Å; R814-D817 IonicContact CZ-OD1 3.86Å; R814-D817 IonicContact CZ-OD2 3.74Å; R814-D817 IonicContact NE-OD1 2.71Å; R814-D817 PolarHBondContact NE-OD1 3.16Å; R814-D817 IonicContact NE-OD2 3.06Å; R814-D817 PolarHBondContact NE-OD2 2.87Å; R814-D817 IonicContact NH2-OD1 3.67Å; R814-D817 PolarHBondContact NH2-OD1 2.89Å; R814-D817 IonicContact NH2-OD2 3.71Å; R814-D817 PolarHBondContact NH2-OD2 2.79Å; D817-Y870 WeakPolarHBondContact OD1-CD1 3.34Å; D817-Y870 WeakPolarHBondContact OD1-CE1 3.13Å
818	E	65.3	Low	80	Confident	190 Å²	190	75.5 Å²	75.5	89%	0.888	42%	0.417	S	S	*	.			trans	-105.5	-5.4	-179.7	-63.9	-172.9	174.8	0	0	114	G816	G816-E818 PolarHBondContact O-N 2.86Å
819	R	66.5	Low	80.1	Confident	166 Å²	166	72 Å²	72	63%	0.626	40%	0.398	S	S	*	.			trans	-111.1	128.5	-175	-63.2	-177	-177	-177.8	3	111.5
820	G	67.9	Low	80.2	Confident	55 Å²	55	73 Å²	73	57%	0.567	40%	0.401	S	S	*	.			trans	-107.2	152.1	176.8	0	0	0	0	0	114.5	K858	G820-K858 PolarHBondContact O-NZ 2.82Å
821	I	80	Confident	80	Confident	36 Å²	36	75.4 Å²	75.4	19%	0.185	41%	0.414	C	S	.	.			trans	-124.5	136.1	165.1	-173	169.7	0	0	0	108.5	L839 A847 I849 T856 K858	I821-L839 HydrophobicContact CG2-CD1 4.22Å; I821-A847 HydrophobicContact CD1-CB 4.48Å; I821-A847 WeakPolarHBondContact CD1-O 3.21Å; I821-I849 HydrophobicContact CD1-CG2 4.06Å; I821-I849 HydrophobicContact CG1-CG2 4.15Å; I821-I849 HydrophobicContact CG2-CB 4.17Å; I821-I849 HydrophobicContact CG2-CG2 4.08Å; I821-T856 HydrophobicContact CD1-CG2 4.43Å; I821-T856 WeakPolarHBondContact CD1-O 3.49Å; I821-T856 HydrophobicContact CG1-CG2 4.49Å; I821-K858 HydrophobicContact CD1-CB 3.77Å; I821-K858 HydrophobicContact CG1-CB 4.09Å
822	S	83.7	Confident	79.6	Confident	110 Å²	110	76.4 Å²	76.4	77%	0.769	42%	0.419	S	S	*	.			trans	-110.6	128.8	176.4	-58.8	0	0	0	0	108.9	T856	S822-T856 WeakPolarHBondContact O-CG2 3.15Å
823	S	82.6	Confident	79.2	Confident	32 Å²	32	78.7 Å²	78.7	22%	0.224	43%	0.433	C	S	.	.			trans	-74.8	142.8	178.3	-168.6	0	0	0	0	111.4	L825 T856	S823-L825 VanDerWaalsContact C-N 3.29Å; S823-L825 PolarHBondContact O-N 3.09Å; S823-L825 VanDerWaalsContact O-N 3.16Å; S823-T856 WeakPolarHBondContact CA-OG1 3.2Å; S823-T856 PolarHBondContact OG-OG1 3.19Å
824	N	82	Confident	79	Confident	139 Å²	139	80.7 Å²	80.7	74%	0.743	44%	0.438	S	S	*	.			trans	-88.2	60.2	177.8	-163.8	17.6	0	0	0	111.7	T856	N824-T856 PolarHBondContact N-OG1 2.77Å
825	L	82.1	Confident	79	Confident	42 Å²	42	80.5 Å²	80.5	22%	0.22	44%	0.438	C	S	.	.			trans	-83.6	141.6	179.3	-69.2	170.1	0	0	0	111.7	S823 Y827 L829 I851 V854	S823-L825 VanDerWaalsContact C-N 3.29Å; S823-L825 PolarHBondContact O-N 3.09Å; S823-L825 VanDerWaalsContact O-N 3.16Å; L825-Y827 HydrophobicContact CD2-CE1 3.8Å; L825-Y827 HydrophobicContact CD2-CE2 4.5Å; L825-L829 HydrophobicContact CD1-CD1 3.72Å; L825-L829 HydrophobicContact CD1-CD2 3.83Å; L825-L829 HydrophobicContact CD1-CG 3.92Å; L825-I851 HydrophobicContact CD1-CB 4.11Å; L825-I851 HydrophobicContact CD1-CD1 3.7Å; L825-I851 HydrophobicContact CD1-CG1 4.47Å; L825-I851 HydrophobicContact CD1-CG2 3.98Å; L825-I851 HydrophobicContact CD2-CB 4.25Å; L825-I851 HydrophobicContact CD2-CG2 4.46Å; L825-V854 HydrophobicContact CD2-CB 3.8Å; L825-V854 HydrophobicContact CD2-CG1 4.17Å; L825-V854 HydrophobicContact CD2-CG2 3.89Å
826	S	83.2	Confident	79.4	Confident	124 Å²	124	76 Å²	76	87%	0.867	42%	0.421	S	S	*	.	S	Bend	trans	-93	-1.1	175.2	57	0	0	0	0	113.9
827	Y	83.5	Confident	80.2	Confident	89 Å²	89	75.5 Å²	75.5	35%	0.349	41%	0.413	S	S	.	.	S	Bend	trans	-135.5	159.4	-176.2	58.9	-86.9	0	0	0	111.2	L825 L829 H835 D852	L825-Y827 HydrophobicContact CD2-CE1 3.8Å; L825-Y827 HydrophobicContact CD2-CE2 4.5Å; Y827-L829 HydrophobicContact CD2-CD2 4.07Å; Y827-L829 HydrophobicContact CE2-CD2 3.56Å; Y827-H835 AromaticContact CE2-CE1 3.81Å; Y827-D852 PolarHBondContact OH-OD2 2.89Å
828	S	86.9	Confident	81	Confident	74 Å²	74	73.2 Å²	73.2	52%	0.517	40%	0.401	S	S	.	.			trans	-87.6	143.8	177.9	-157.1	0	0	0	0	111.2	N830	S828-N830 VanDerWaalsContact CB-OD1 3.3Å; S828-N830 WeakPolarHBondContact CB-OD1 3.25Å; S828-N830 PolarHBondContact OG-OD1 3.13Å
829	L	89.2	Confident	82.1	Confident	35 Å²	35	66.1 Å²	66.1	18%	0.183	37%	0.369	C	S	.	.	S	Bend	trans	-94.6	2.4	-176.7	-56.6	175.4	0	0	0	113.9	F802 L825 Y827 D831 H835 I851	F802-L829 HydrophobicContact CE1-CD1 4.47Å; F802-L829 HydrophobicContact CE2-CB 4.25Å; F802-L829 HydrophobicContact CZ-CB 3.84Å; F802-L829 HydrophobicContact CZ-CD1 3.88Å; F802-L829 HydrophobicContact CZ-CG 4.44Å; L825-L829 HydrophobicContact CD1-CD1 3.72Å; L825-L829 HydrophobicContact CD1-CD2 3.83Å; L825-L829 HydrophobicContact CD1-CG 3.92Å; Y827-L829 HydrophobicContact CD2-CD2 4.07Å; Y827-L829 HydrophobicContact CE2-CD2 3.56Å; L829-D831 VanDerWaalsContact C-N 3.31Å; L829-H835 HydrophobicContact CD2-CB 4.21Å; L829-H835 PolarHBondContact O-CD2 3.48Å; L829-I851 HydrophobicContact CD1-CD1 4.08Å; L829-I851 HydrophobicContact CD1-CG2 4.01Å; L829-I851 HydrophobicContact CD2-CG2 3.91Å
830	N	89.5	Confident	83	Confident	51 Å²	51	60.4 Å²	60.4	27%	0.273	35%	0.348	S	S	.	.			trans	-97.3	30.5	-178.7	72.8	-46	0	0	0	112.5	T804 S805 K806 S828 M832	T804-N830 CarbonylContact O-C 3.57Å; T804-N830 WeakPolarHBondContact O-CA 3.47Å; S805-N830 PolarHBondContact O-ND2 2.87Å; K806-N830 WeakPolarHBondContact O-CB 3.28Å; S828-N830 VanDerWaalsContact CB-OD1 3.3Å; S828-N830 WeakPolarHBondContact CB-OD1 3.25Å; S828-N830 PolarHBondContact OG-OD1 3.13Å; N830-M832 VanDerWaalsContact C-N 3.29Å
831	D	85.1	Confident	83.6	Confident	71 Å²	71	59.7 Å²	59.7	38%	0.38	33%	0.33	S	S	.	.	S	Bend	trans	-89.2	7.9	-175.4	69.1	-4.2	0	0	0	113.3	L829 N833 H835	L829-D831 VanDerWaalsContact C-N 3.31Å; D831-N833 PolarHBondContact O-N 2.87Å; D831-N833 WeakPolarHBondContact OD1-CA 3.26Å; D831-N833 VanDerWaalsContact OD1-CB 3.26Å; D831-N833 WeakPolarHBondContact OD1-CB 2.89Å; D831-N833 PolarHBondContact OD1-N 3.42Å; D831-N833 PolarHBondContact OD2-ND2 2.72Å; D831-H835 IonicContact OD1-CD2 3.44Å; D831-H835 IonicContact OD1-CE1 3.14Å; D831-H835 IonicContact OD1-NE2 2.9Å; D831-H835 PolarHBondContact OD1-NE2 2.77Å; D831-H835 IonicContact OD2-CE1 3.68Å; D831-H835 IonicContact OD2-NE2 3.19Å
832	M	81.8	Confident	83.5	Confident	60 Å²	60	60.1 Å²	60.1	30%	0.296	33%	0.33	S	S	.	.	S	Bend	trans	62.7	11.4	-174.3	-64.2	-73.5	-67.1	0	0	115.2	R803 T804 S805 N830 M926	R803-M832 WeakPolarHBondContact CD-O 3.11Å; T804-M832 PolarHBondContact O-N 2.68Å; S805-M832 PolarHBondContact N-SD 3.22Å; S805-M832 VanDerWaalsContact N-SD 3.38Å; N830-M832 VanDerWaalsContact C-N 3.29Å; M832-M926 HydrophobicContact CE-CB 3.72Å; M832-M926 HydrophobicContact CE-CG 4.33Å; M832-M926 HydrophobicContact CE-SD 3.73Å; M832-M926 HydrophobicContact SD-SD 4.4Å
833	N	80.7	Confident	82.9	Confident	94 Å²	94	60 Å²	60	50%	0.503	32%	0.32	S	S	.	.	S	Bend	trans	-88.7	162.3	168.8	-62.9	-49.9	0	0	0	111.3	R803 D831	R803-N833 WeakPolarHBondContact CA-O 3.43Å; R803-N833 WeakPolarHBondContact CB-O 3.48Å; D831-N833 PolarHBondContact O-N 2.87Å; D831-N833 WeakPolarHBondContact OD1-CA 3.26Å; D831-N833 VanDerWaalsContact OD1-CB 3.26Å; D831-N833 WeakPolarHBondContact OD1-CB 2.89Å; D831-N833 PolarHBondContact OD1-N 3.42Å; D831-N833 PolarHBondContact OD2-ND2 2.72Å
834	W	79.4	Confident	82.3	Confident	91 Å²	91	63.6 Å²	63.6	35%	0.345	33%	0.333	S	S	.	.			trans	-79.5	121.2	175.6	-74.3	105.4	0	0	0	110.4	V772 F802 R803 C896 M898 C923	V772-W834 HydrophobicContact CG1-CH2 3.89Å; V772-W834 HydrophobicContact CG1-CZ2 4.18Å; F802-W834 CarbonylContact O-C 3.55Å; F802-W834 WeakPolarHBondContact O-CA 3.27Å; R803-W834 HydrophobicContact CB-CD2 4.31Å; R803-W834 HydrophobicContact CB-CE3 4.33Å; R803-W834 HydrophobicContact CG-CD2 4.22Å; R803-W834 HydrophobicContact CG-CE3 4.32Å; R803-W834 HydrophobicContact CG-CH2 4.34Å; R803-W834 HydrophobicContact CG-CZ2 4.24Å; R803-W834 HydrophobicContact CG-CZ3 4.37Å; W834-C896 HydrophobicContact CH2-CB 3.64Å; W834-C896 HydrophobicContact CZ2-CB 4.22Å; W834-C896 HydrophobicContact CZ3-CB 4.33Å; W834-M898 HydrophobicContact CD2-SD 4.19Å; W834-M898 HydrophobicContact CE3-CG 3.98Å; W834-M898 HydrophobicContact CE3-SD 4.05Å; W834-M898 HydrophobicContact CH2-CB 4.04Å; W834-M898 HydrophobicContact CH2-CG 3.84Å; W834-M898 HydrophobicContact CH2-SD 3.91Å; W834-M898 HydrophobicContact CZ2-SD 4.05Å; W834-M898 HydrophobicContact CZ3-CB 4.05Å; W834-M898 HydrophobicContact CZ3-CG 3.51Å; W834-M898 HydrophobicContact CZ3-SD 3.92Å; W834-C923 HydrophobicContact CZ2-CB 4.41Å
835	H	81.2	Confident	81.7	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136	171.9	-63	-71.5	0	0	0	110.6	S801 F802 Y827 L829 D831 D852	S801-H835 CarbonylContact C-O 3.6Å; S801-H835 WeakPolarHBondContact CA-O 3.31Å; S801-H835 WeakPolarHBondContact CB-O 3.46Å; F802-H835 HydrophobicContact CD1-CB 4.41Å; F802-H835 HydrophobicContact CE1-CB 3.98Å; F802-H835 HydrophobicContact CZ-CB 4.25Å; F802-H835 PolarHBondContact N-O 2.76Å; F802-H835 PolarHBondContact O-N 2.89Å; Y827-H835 AromaticContact CE2-CE1 3.81Å; L829-H835 HydrophobicContact CD2-CB 4.21Å; L829-H835 PolarHBondContact O-CD2 3.48Å; D831-H835 IonicContact OD1-CD2 3.44Å; D831-H835 IonicContact OD1-CE1 3.14Å; D831-H835 IonicContact OD1-NE2 2.9Å; D831-H835 PolarHBondContact OD1-NE2 2.77Å; D831-H835 IonicContact OD2-CE1 3.68Å; D831-H835 IonicContact OD2-NE2 3.19Å; H835-D852 VanDerWaalsContact CA-OD1 3.22Å; H835-D852 WeakPolarHBondContact CA-OD1 3.22Å; H835-D852 IonicContact CE1-OD2 2.79Å; H835-D852 IonicContact CG-OD2 3.79Å; H835-D852 IonicContact ND1-OD1 3.6Å; H835-D852 IonicContact ND1-OD2 3.4Å; H835-D852 PolarHBondContact ND1-OD2 2.84Å
836	S	81.2	Confident	81.6	Confident	37 Å²	37	56.5 Å²	56.5	26%	0.259	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.9	177.1	-71.3	0	0	0	0	110.6	S801 I851 D852	S801-S836 PolarHBondContact OG-OG 3.39Å; S836-I851 CarbonylContact O-C 3.58Å; S836-I851 VanDerWaalsContact O-CA 3.26Å; S836-I851 WeakPolarHBondContact O-CA 3.48Å; S836-D852 PolarHBondContact N-OD1 2.77Å; S836-D852 PolarHBondContact O-N 2.87Å
837	V	85.2	Confident	81.6	Confident	13 Å²	13	51.4 Å²	51.4	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.1	178.5	-177	0	0	0	0	109	S799 F800 F802 I849 T850 I851	S799-V837 CarbonylContact C-O 3.55Å; S799-V837 WeakPolarHBondContact CA-O 3.45Å; S799-V837 WeakPolarHBondContact CB-O 3.32Å; F800-V837 HydrophobicContact CD2-CB 4.34Å; F800-V837 HydrophobicContact CD2-CG2 4.49Å; F800-V837 HydrophobicContact CE1-CB 4.3Å; F800-V837 HydrophobicContact CE1-CG1 4.23Å; F800-V837 HydrophobicContact CE2-CB 3.98Å; F800-V837 HydrophobicContact CE2-CG1 4.5Å; F800-V837 HydrophobicContact CE2-CG2 3.93Å; F800-V837 HydrophobicContact CZ-CB 3.96Å; F800-V837 HydrophobicContact CZ-CG1 3.99Å; F800-V837 HydrophobicContact CZ-CG2 4.22Å; F800-V837 PolarHBondContact N-O 2.96Å; F800-V837 PolarHBondContact O-N 3Å; F802-V837 HydrophobicContact CD1-CG2 3.85Å; F802-V837 HydrophobicContact CE1-CG2 3.55Å; V837-I849 HydrophobicContact CG1-CG1 4.48Å; V837-T850 CarbonylContact C-O 3.58Å; V837-T850 WeakPolarHBondContact CA-O 3.3Å; V837-I851 HydrophobicContact CG2-CG1 4.45Å
838	L	84.6	Confident	81.8	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114	166.8	171.2	66.7	0	0	0	108.5	F652 I798 K840 I849 T850	F652-L838 HydrophobicContact CB-CD2 4.1Å; I798-L838 CarbonylContact O-C 3.41Å; I798-L838 WeakPolarHBondContact O-CA 3.09Å; L838-K840 HydrophobicContact CG-CG 4.41Å; L838-I849 CarbonylContact O-C 3.56Å; L838-I849 WeakPolarHBondContact O-CA 3.2Å; L838-T850 PolarHBondContact N-O 3.03Å; L838-T850 PolarHBondContact O-N 2.72Å
839	L	87.9	Confident	81.9	Confident	40 Å²	40	47.1 Å²	47.1	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.2	171.3	-174.9	76.3	0	0	0	108.9	Q797 I798 F812 I821 E848 I849	Q797-L839 CarbonylContact C-O 3.55Å; Q797-L839 VanDerWaalsContact CA-O 3.28Å; Q797-L839 WeakPolarHBondContact CA-O 3.36Å; I798-L839 HydrophobicContact CB-CB 4.4Å; I798-L839 HydrophobicContact CD1-CD2 4.41Å; I798-L839 PolarHBondContact N-O 2.86Å; I798-L839 PolarHBondContact O-N 2.82Å; F812-L839 HydrophobicContact CZ-CD2 4.02Å; I821-L839 HydrophobicContact CG2-CD1 4.22Å; L839-E848 CarbonylContact C-O 3.45Å; L839-E848 WeakPolarHBondContact CA-O 3.43Å; L839-I849 HydrophobicContact CD1-CB 4.12Å; L839-I849 HydrophobicContact CD1-CG1 4.31Å
840	K	84.4	Confident	81.8	Confident	46 Å²	46	46.7 Å²	46.7	20%	0.2	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.5	167.7	-53.9	-173.7	-164.6	148.1	0	109.5	V795 M796 Q797 L838 Y842 A847 E848	V795-K840 HydrophobicContact CG1-CB 3.83Å; V795-K840 HydrophobicContact CG1-CD 4.43Å; V795-K840 HydrophobicContact CG1-CG 4.44Å; M796-K840 CarbonylContact O-C 3.55Å; M796-K840 VanDerWaalsContact O-CA 3.29Å; M796-K840 WeakPolarHBondContact O-CA 3.45Å; Q797-K840 HydrophobicContact CG-CG 4.14Å; L838-K840 HydrophobicContact CG-CG 4.41Å; K840-Y842 HydrophobicContact CB-CE2 3.9Å; K840-A847 CarbonylContact O-C 3.33Å; K840-A847 VanDerWaalsContact O-CA 3.28Å; K840-A847 WeakPolarHBondContact O-CA 3.16Å; K840-E848 HydrophobicContact CB-CB 4.23Å; K840-E848 PolarHBondContact N-O 2.73Å; K840-E848 IonicContact NZ-OE2 3.65Å; K840-E848 PolarHBondContact NZ-OE2 2.58Å; K840-E848 PolarHBondContact O-N 2.77Å
841	H	80.6	Confident	81.6	Confident	40 Å²	40	44.9 Å²	44.9	19%	0.185	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.4	173.7	-179.9	-87.2	0	0	0	108.7	V795 M796	V795-H841 CarbonylContact C-O 3.56Å; V795-H841 WeakPolarHBondContact CA-O 3.41Å; M796-H841 HydrophobicContact CB-CB 4.46Å; M796-H841 PolarHBondContact N-O 3.2Å; M796-H841 PolarHBondContact O-N 2.83Å
842	Y	78.5	Confident	81.3	Confident	46 Å²	46	43.5 Å²	43.5	18%	0.18	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	147.1	-177	-60.5	-107	0	0	0	110.1	V795 K840 H844 G845 A846 E848	V795-Y842 HydrophobicContact CB-CD1 4.39Å; V795-Y842 HydrophobicContact CG1-CD1 4.29Å; V795-Y842 HydrophobicContact CG1-CD2 4.47Å; V795-Y842 HydrophobicContact CG1-CE1 4.23Å; V795-Y842 HydrophobicContact CG1-CE2 4.38Å; V795-Y842 HydrophobicContact CG1-CG 4.4Å; V795-Y842 HydrophobicContact CG2-CD1 3.32Å; V795-Y842 HydrophobicContact CG2-CE1 3.45Å; V795-Y842 VanDerWaalsContact CG2-CE1 3.45Å; V795-Y842 HydrophobicContact CG2-CG 4.08Å; K840-Y842 HydrophobicContact CB-CE2 3.9Å; Y842-H844 WeakPolarHBondContact CB-CE1 3.43Å; Y842-H844 AromaticContact CD1-CE1 3.57Å; Y842-H844 AromaticContact CG-CE1 3.66Å; Y842-H844 PolarHBondContact O-N 2.57Å; Y842-G845 PolarHBondContact O-N 2.73Å; Y842-A846 HydrophobicContact CD2-CB 4.08Å; Y842-A846 WeakPolarHBondContact CD2-O 3.31Å; Y842-A846 HydrophobicContact CG-CB 4.28Å; Y842-A846 PolarHBondContact N-O 2.75Å; Y842-E848 HydrophobicContact CE2-CG 3.94Å; Y842-E848 VanDerWaalsContact OH-CD 3.29Å; Y842-E848 PolarHBondContact OH-OE1 3.29Å; Y842-E848 PolarHBondContact OH-OE2 2.95Å
843	D	70.9	Confident	81.1	Confident	106 Å²	106	47.7 Å²	47.7	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.6	177.3	59.6	-4	0	0	0	114.6	E794 G845	E794-D843 PolarHBondContact O-N 3Å; D843-G845 PolarHBondContact O-N 2.77Å
844	H	70.5	Confident	80.8	Confident	108 Å²	108	45.5 Å²	45.5	50%	0.5	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	8.2	176.9	56.7	-84	0	0	0	114	Y842 A846 S860	Y842-H844 WeakPolarHBondContact CB-CE1 3.43Å; Y842-H844 AromaticContact CD1-CE1 3.57Å; Y842-H844 AromaticContact CG-CE1 3.66Å; Y842-H844 PolarHBondContact O-N 2.57Å; H844-A846 WeakPolarHBondContact NE2-CB 3.38Å; H844-S860 WeakPolarHBondContact O-CB 3.49Å; H844-S860 PolarHBondContact O-OG 2.79Å
845	G	69.9	Low	81.1	Confident	18 Å²	18	45.1 Å²	45.1	19%	0.186	25%	0.246	C	C	.	.	S	Bend	trans	84	8	174	0	0	0	0	0	115.2	Y842 D843	Y842-G845 PolarHBondContact O-N 2.73Å; D843-G845 PolarHBondContact O-N 2.77Å
846	A	79.2	Confident	81.5	Confident	14 Å²	14	46 Å²	46	12%	0.116	25%	0.252	C	S	.	.			trans	-75.2	151.7	167.1	0	0	0	0	0	110.4	Y842 H844 K858	Y842-A846 HydrophobicContact CD2-CB 4.08Å; Y842-A846 WeakPolarHBondContact CD2-O 3.31Å; Y842-A846 HydrophobicContact CG-CB 4.28Å; Y842-A846 PolarHBondContact N-O 2.75Å; H844-A846 WeakPolarHBondContact NE2-CB 3.38Å; A846-K858 WeakPolarHBondContact CA-O 3.38Å
847	A	83.8	Confident	81.8	Confident	17 Å²	17	48.2 Å²	48.2	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.9	175.5	0	0	0	0	0	111.4	I821 K840 S857 K858	I821-A847 HydrophobicContact CD1-CB 4.48Å; I821-A847 WeakPolarHBondContact CD1-O 3.21Å; K840-A847 CarbonylContact O-C 3.33Å; K840-A847 VanDerWaalsContact O-CA 3.28Å; K840-A847 WeakPolarHBondContact O-CA 3.16Å; A847-S857 CarbonylContact O-C 3.52Å; A847-S857 WeakPolarHBondContact O-CA 3.3Å; A847-K858 PolarHBondContact N-O 2.78Å; A847-K858 PolarHBondContact O-N 2.81Å
848	E	87	Confident	81.7	Confident	51 Å²	51	53.1 Å²	53.1	24%	0.238	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	172.4	-63.7	178.3	173.6	0	0	109.3	L839 K840 Y842 T856	L839-E848 CarbonylContact C-O 3.45Å; L839-E848 WeakPolarHBondContact CA-O 3.43Å; K840-E848 HydrophobicContact CB-CB 4.23Å; K840-E848 PolarHBondContact N-O 2.73Å; K840-E848 IonicContact NZ-OE2 3.65Å; K840-E848 PolarHBondContact NZ-OE2 2.58Å; K840-E848 PolarHBondContact O-N 2.77Å; Y842-E848 HydrophobicContact CE2-CG 3.94Å; Y842-E848 VanDerWaalsContact OH-CD 3.29Å; Y842-E848 PolarHBondContact OH-OE1 3.29Å; Y842-E848 PolarHBondContact OH-OE2 2.95Å; E848-T856 CarbonylContact C-O 3.41Å; E848-T856 WeakPolarHBondContact CA-O 3Å
849	I	89.7	Confident	81.2	Confident	23 Å²	23	57.9 Å²	57.9	12%	0.118	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.1	168.5	-168.6	172.8	0	0	0	108.8	I821 V837 L838 L839 I851 T855 T856	I821-I849 HydrophobicContact CD1-CG2 4.06Å; I821-I849 HydrophobicContact CG1-CG2 4.15Å; I821-I849 HydrophobicContact CG2-CB 4.17Å; I821-I849 HydrophobicContact CG2-CG2 4.08Å; V837-I849 HydrophobicContact CG1-CG1 4.48Å; L838-I849 CarbonylContact O-C 3.56Å; L838-I849 WeakPolarHBondContact O-CA 3.2Å; L839-I849 HydrophobicContact CD1-CB 4.12Å; L839-I849 HydrophobicContact CD1-CG1 4.31Å; I849-I851 HydrophobicContact CD1-CD1 3.93Å; I849-I851 HydrophobicContact CD1-CG1 4.14Å; I849-I851 HydrophobicContact CG1-CD1 4.34Å; I849-I851 HydrophobicContact CG1-CG1 4.02Å; I849-T855 CarbonylContact O-C 3.53Å; I849-T855 WeakPolarHBondContact O-CA 3.3Å; I849-T856 PolarHBondContact N-O 3.23Å; I849-T856 PolarHBondContact O-N 2.84Å
850	T	86	Confident	80.1	Confident	26 Å²	26	58 Å²	58	16%	0.16	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.8	171.3	-55	0	0	0	0	108.1	V837 L838 V854 T855	V837-T850 CarbonylContact C-O 3.58Å; V837-T850 WeakPolarHBondContact CA-O 3.3Å; L838-T850 PolarHBondContact N-O 3.03Å; L838-T850 PolarHBondContact O-N 2.72Å; T850-V854 CarbonylContact C-O 3.54Å; T850-V854 WeakPolarHBondContact CA-O 3.35Å; T850-T855 WeakPolarHBondContact CG2-OG1 3.46Å; T850-T855 WeakPolarHBondContact OG1-CG2 3.31Å; T850-T855 PolarHBondContact OG1-OG1 3.28Å
851	I	85.4	Confident	79	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.062	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.8	173.5	-54.2	179	0	0	0	107.5	L825 L829 S836 V837 I849 N853 V854	L825-I851 HydrophobicContact CD1-CB 4.11Å; L825-I851 HydrophobicContact CD1-CD1 3.7Å; L825-I851 HydrophobicContact CD1-CG1 4.47Å; L825-I851 HydrophobicContact CD1-CG2 3.98Å; L825-I851 HydrophobicContact CD2-CB 4.25Å; L825-I851 HydrophobicContact CD2-CG2 4.46Å; L829-I851 HydrophobicContact CD1-CD1 4.08Å; L829-I851 HydrophobicContact CD1-CG2 4.01Å; L829-I851 HydrophobicContact CD2-CG2 3.91Å; S836-I851 CarbonylContact O-C 3.58Å; S836-I851 VanDerWaalsContact O-CA 3.26Å; S836-I851 WeakPolarHBondContact O-CA 3.48Å; V837-I851 HydrophobicContact CG2-CG1 4.45Å; I849-I851 HydrophobicContact CD1-CD1 3.93Å; I849-I851 HydrophobicContact CD1-CG1 4.14Å; I849-I851 HydrophobicContact CG1-CD1 4.34Å; I849-I851 HydrophobicContact CG1-CG1 4.02Å; I851-N853 PolarHBondContact O-N 2.92Å; I851-V854 PolarHBondContact N-O 2.72Å; I851-V854 PolarHBondContact O-N 3.24Å
852	D	78.7	Confident	77.5	Confident	43 Å²	43	68.8 Å²	68.8	23%	0.23	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-99.3	-168.5	-55.4	-38.4	0	0	0	111.2	Y827 H835 S836	Y827-D852 PolarHBondContact OH-OD2 2.89Å; H835-D852 VanDerWaalsContact CA-OD1 3.22Å; H835-D852 WeakPolarHBondContact CA-OD1 3.22Å; H835-D852 IonicContact CE1-OD2 2.79Å; H835-D852 IonicContact CG-OD2 3.79Å; H835-D852 IonicContact ND1-OD1 3.6Å; H835-D852 IonicContact ND1-OD2 3.4Å; H835-D852 PolarHBondContact ND1-OD2 2.84Å; S836-D852 PolarHBondContact N-OD1 2.77Å; S836-D852 PolarHBondContact O-N 2.87Å
853	N	78	Confident	76.4	Confident	147 Å²	147	69.4 Å²	69.4	79%	0.786	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	7.4	177.8	-66.5	-13.7	0	0	0	113.2	I851	I851-N853 PolarHBondContact O-N 2.92Å
854	V	75.3	Confident	75.3	Confident	48 Å²	48	71.8 Å²	71.8	29%	0.291	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.9	-177.9	-177.1	0	0	0	0	109.9	L825 T850 I851	L825-V854 HydrophobicContact CD2-CB 3.8Å; L825-V854 HydrophobicContact CD2-CG1 4.17Å; L825-V854 HydrophobicContact CD2-CG2 3.89Å; T850-V854 CarbonylContact C-O 3.54Å; T850-V854 WeakPolarHBondContact CA-O 3.35Å; I851-V854 PolarHBondContact N-O 2.72Å; I851-V854 PolarHBondContact O-N 3.24Å
855	T	85.7	Confident	74.4	Confident	83 Å²	83	71.5 Å²	71.5	51%	0.509	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.1	174.7	-55.2	0	0	0	0	110.7	I849 T850	I849-T855 CarbonylContact O-C 3.53Å; I849-T855 WeakPolarHBondContact O-CA 3.3Å; T850-T855 WeakPolarHBondContact CG2-OG1 3.46Å; T850-T855 WeakPolarHBondContact OG1-CG2 3.31Å; T850-T855 PolarHBondContact OG1-OG1 3.28Å
856	T	88.7	Confident	73.5	Confident	28 Å²	28	78.1 Å²	78.1	17%	0.172	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132	171.4	-54	0	0	0	0	109	I821 S822 S823 N824 E848 I849	I821-T856 HydrophobicContact CD1-CG2 4.43Å; I821-T856 WeakPolarHBondContact CD1-O 3.49Å; I821-T856 HydrophobicContact CG1-CG2 4.49Å; S822-T856 WeakPolarHBondContact O-CG2 3.15Å; S823-T856 WeakPolarHBondContact CA-OG1 3.2Å; S823-T856 PolarHBondContact OG-OG1 3.19Å; N824-T856 PolarHBondContact N-OG1 2.77Å; E848-T856 CarbonylContact C-O 3.41Å; E848-T856 WeakPolarHBondContact CA-O 3Å; I849-T856 PolarHBondContact N-O 3.23Å; I849-T856 PolarHBondContact O-N 2.84Å
857	S	86.9	Confident	72.2	Confident	83 Å²	83	84.7 Å²	84.7	58%	0.58	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.3	179.8	59.5	0	0	0	0	111.5	A847	A847-S857 CarbonylContact O-C 3.52Å; A847-S857 WeakPolarHBondContact O-CA 3.3Å
858	K	83.4	Confident	70.7	Confident	116 Å²	116	86.6 Å²	86.6	50%	0.504	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.9	174.7	-175.3	172.8	176.4	177.5	0	108.7	G820 I821 A846 A847	G820-K858 PolarHBondContact O-NZ 2.82Å; I821-K858 HydrophobicContact CD1-CB 3.77Å; I821-K858 HydrophobicContact CG1-CB 4.09Å; A846-K858 WeakPolarHBondContact CA-O 3.38Å; A847-K858 PolarHBondContact N-O 2.78Å; A847-K858 PolarHBondContact O-N 2.81Å
859	T	75.7	Confident	69.3	Low	121 Å²	121	95 Å²	95	74%	0.742	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-80	142.8	177	52.5	0	0	0	0	110.9
860	S	65	Low	68.1	Low	41 Å²	41	97.5 Å²	97.5	29%	0.287	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-63.7	135	174.5	-168.1	0	0	0	0	111.2	H844	H844-S860 WeakPolarHBondContact O-CB 3.49Å; H844-S860 PolarHBondContact O-OG 2.79Å
861	A	60	Low	67.2	Low	87 Å²	87	99.6 Å²	99.6	72%	0.719	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-71.8	135	169.3	0	0	0	0	0	108.9	G863	A861-G863 PolarHBondContact O-N 2.81Å
862	K	49.7	Very low	66.7	Low	226 Å²	226	103.7 Å²	103.7	98%	0.983	56%	0.555	S	S	*	*	S	Bend	trans	-51.2	106.1	176.7	-81.9	-177.8	173.9	180	0	110.8
863	G	55.1	Low	66.9	Low	59 Å²	59	104 Å²	104	61%	0.608	56%	0.557	S	S	*	*	S	Bend	trans	-171.7	146.1	174.3	0	0	0	0	0	108.3	A861	A861-G863 PolarHBondContact O-N 2.81Å
864	D	47.4	Very low	67.3	Low	156 Å²	156	97 Å²	97	83%	0.834	52%	0.52	S	S	*	.			trans	-48.6	138.2	-174.5	-84.6	-40.3	0	0	0	111.9	E866	D864-E866 PolarHBondContact O-N 2.93Å
865	P	51.6	Low	68	Low	102 Å²	102	96.4 Å²	96.4	66%	0.662	51%	0.512	S	S	*	.			trans	-65.5	98.1	175.2	27.4	-31	0	0	0	108.3	I867	P865-I867 PolarHBondContact O-N 3.09Å
866	E	51.6	Low	68.2	Low	157 Å²	157	92.4 Å²	92.4	73%	0.734	49%	0.488	S	S	*	.			trans	-60.8	126.3	169.5	-156.9	170.6	-160.9	0	0	107.5	D864 V868	D864-E866 PolarHBondContact O-N 2.93Å; E866-V868 PolarHBondContact O-N 2.89Å
867	I	51.3	Low	68.3	Low	153 Å²	153	91.1 Å²	91.1	79%	0.785	48%	0.48	S	S	*	.			trans	-68.2	86.2	179.1	-59.1	173.6	0	0	0	107.5	P865 R869	P865-I867 PolarHBondContact O-N 3.09Å; I867-R869 PolarHBondContact O-N 2.85Å
868	V	52.5	Low	68.2	Low	56 Å²	56	88.1 Å²	88.1	34%	0.339	46%	0.459	S	S	.	.			trans	-76.7	112.1	174.2	-174.5	0	0	0	0	107.7	G816 E866 Y870	G816-V868 WeakPolarHBondContact O-CG1 3.21Å; E866-V868 PolarHBondContact O-N 2.89Å; V868-Y870 HydrophobicContact CB-CE1 4.02Å; V868-Y870 HydrophobicContact CB-CE2 3.95Å; V868-Y870 HydrophobicContact CG1-CD1 3.81Å; V868-Y870 HydrophobicContact CG1-CE1 3.37Å; V868-Y870 HydrophobicContact CG1-CE2 4.13Å; V868-Y870 HydrophobicContact CG1-CG 4.37Å; V868-Y870 WeakPolarHBondContact O-CD2 3.09Å; V868-Y870 PolarHBondContact O-N 3.13Å
869	R	56.8	Low	67.9	Low	227 Å²	227	83 Å²	83	86%	0.857	44%	0.437	S	S	*	.			trans	-79.7	97.8	171.6	-72	-173.4	-177.9	-173.1	2.1	108.7	I867	I867-R869 PolarHBondContact O-N 2.85Å
870	Y	64.7	Low	68.1	Low	76 Å²	76	81.6 Å²	81.6	30%	0.298	43%	0.425	S	S	.	.			trans	-74.6	141.8	173.9	-57.2	-72.7	0	0	0	111.3	D817 V868	D817-Y870 WeakPolarHBondContact OD1-CD1 3.34Å; D817-Y870 WeakPolarHBondContact OD1-CE1 3.13Å; V868-Y870 HydrophobicContact CB-CE1 4.02Å; V868-Y870 HydrophobicContact CB-CE2 3.95Å; V868-Y870 HydrophobicContact CG1-CD1 3.81Å; V868-Y870 HydrophobicContact CG1-CE1 3.37Å; V868-Y870 HydrophobicContact CG1-CE2 4.13Å; V868-Y870 HydrophobicContact CG1-CG 4.37Å; V868-Y870 WeakPolarHBondContact O-CD2 3.09Å; V868-Y870 PolarHBondContact O-N 3.13Å
871	D	68.1	Low	68.5	Low	70 Å²	70	82.8 Å²	82.8	37%	0.374	44%	0.437	S	S	.	.			trans	-68.9	151.2	171.4	-159.4	-4	0	0	0	110.8	R814 H815 L873	R814-D871 VanDerWaalsContact CD-O 3.26Å; R814-D871 WeakPolarHBondContact CD-O 3.41Å; H815-D871 HydrophobicContact CB-CB 4.08Å; H815-D871 PolarHBondContact O-N 2.67Å; D871-L873 PolarHBondContact O-N 2.76Å
872	R	73.6	Confident	69.2	Low	98 Å²	98	84.5 Å²	84.5	37%	0.37	44%	0.435	S	S	.	.	S	Bend	trans	-80.1	-8	178	-65.7	-171.8	-176.8	138	11.7	113	E784 T785	E784-R872 WeakPolarHBondContact CA-O 3.16Å; E784-R872 HydrophobicContact CG-CB 4.2Å; T785-R872 PolarHBondContact N-O 2.71Å; T785-R872 PolarHBondContact OG1-O 2.9Å
873	L	83.1	Confident	70.3	Confident	51 Å²	51	74.9 Å²	74.9	27%	0.267	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.7	-172.9	-67.9	165.5	0	0	0	110.8	L782 V783 E784 D871 V914	L782-L873 HydrophobicContact CD1-CB 4.05Å; L782-L873 HydrophobicContact CD1-CD2 4.37Å; L782-L873 HydrophobicContact CD2-CD2 4.02Å; L782-L873 HydrophobicContact CG-CD2 3.92Å; V783-L873 WeakPolarHBondContact O-CA 3.45Å; E784-L873 HydrophobicContact CB-CD2 3.93Å; E784-L873 HydrophobicContact CG-CD2 4.14Å; D871-L873 PolarHBondContact O-N 2.76Å; L873-V914 HydrophobicContact CD2-CG2 3.98Å
874	F	87.4	Confident	70.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.6	169.5	-72.8	-91	0	0	0	109.5	L782 V783 T785 M796 I798 F812 R814 F876 I902	L782-F874 CarbonylContact C-O 3.53Å; L782-F874 WeakPolarHBondContact CA-O 3.35Å; V783-F874 HydrophobicContact CB-CB 4.49Å; V783-F874 PolarHBondContact N-O 3.33Å; V783-F874 PolarHBondContact O-N 3.22Å; T785-F874 HydrophobicContact CG2-CD2 3.95Å; T785-F874 HydrophobicContact CG2-CE2 3.63Å; M796-F874 HydrophobicContact CE-CE2 3.79Å; M796-F874 HydrophobicContact CE-CZ 3.38Å; M796-F874 HydrophobicContact SD-CZ 3.79Å; I798-F874 HydrophobicContact CD1-CD1 4.06Å; I798-F874 HydrophobicContact CD1-CE1 3.36Å; I798-F874 HydrophobicContact CD1-CZ 3.95Å; I798-F874 HydrophobicContact CG1-CE1 4.49Å; F812-F874 HydrophobicContact CD2-CD1 4.04Å; F812-F874 HydrophobicContact CE2-CD1 4.23Å; F812-F874 HydrophobicContact CE2-CE1 4.33Å; R814-F874 HydrophobicContact CB-CD1 3.96Å; R814-F874 HydrophobicContact CB-CE1 3.91Å; R814-F874 VanDerWaalsContact CD-CZ 3.46Å; R814-F874 HydrophobicContact CG-CE1 4.34Å; F874-F876 HydrophobicContact CB-CD2 4.28Å; F874-F876 HydrophobicContact CB-CE2 3.72Å; F874-F876 HydrophobicContact CB-CZ 4.49Å; F874-I902 HydrophobicContact CB-CD1 4.31Å; F874-I902 HydrophobicContact CD2-CD1 3.72Å; F874-I902 HydrophobicContact CE2-CD1 4.21Å; F874-I902 HydrophobicContact CE2-CG2 4.32Å; F874-I902 HydrophobicContact CG-CD1 3.97Å
875	R	90.2	Very high	71.9	Confident	34 Å²	34	73.9 Å²	73.9	13%	0.128	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.9	173	-169.2	171.2	-167.2	-151.3	-9	109.8	Y780 A781 L782 F812 H813 S878 P879	Y780-R875 HydrophobicContact CD2-CG 4.33Å; A781-R875 CarbonylContact O-C 3.09Å; A781-R875 WeakPolarHBondContact O-CA 3.46Å; L782-R875 HydrophobicContact CD1-CB 4.09Å; L782-R875 HydrophobicContact CD1-CG 4.47Å; F812-R875 CarbonylContact C-O 3.54Å; F812-R875 WeakPolarHBondContact CA-O 3.38Å; F812-R875 WeakPolarHBondContact CB-O 3.43Å; H813-R875 PolarHBondContact N-O 2.78Å; H813-R875 PolarHBondContact O-N 3.11Å; R875-S878 PolarHBondContact NE-O 3.17Å; R875-S878 VanDerWaalsContact NE-O 3.1Å; R875-S878 PolarHBondContact NH1-O 2.79Å; R875-S878 PolarHBondContact NH2-O 2.73Å; R875-P879 PolarHBondContact NH1-O 3.18Å
876	F	90.6	Very high	72.7	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.1	170.9	-68	-94.5	0	0	0	110	F775 Y780 A781 V783 L811 F812 F874 M897 V900 I902 L909	F775-F876 HydrophobicContact CE1-CB 4.26Å; F775-F876 HydrophobicContact CZ-CB 4.1Å; Y780-F876 CarbonylContact C-O 3.54Å; Y780-F876 WeakPolarHBondContact CA-O 3.34Å; Y780-F876 WeakPolarHBondContact CB-O 3.33Å; A781-F876 HydrophobicContact CB-CB 4.42Å; A781-F876 PolarHBondContact N-O 3.07Å; A781-F876 PolarHBondContact O-N 3.31Å; V783-F876 HydrophobicContact CB-CD2 4.43Å; V783-F876 HydrophobicContact CB-CE2 4.21Å; V783-F876 HydrophobicContact CG2-CD2 3.91Å; V783-F876 HydrophobicContact CG2-CE2 4.02Å; L811-F876 WeakPolarHBondContact O-CA 3.37Å; F812-F876 HydrophobicContact CB-CB 4.48Å; F812-F876 HydrophobicContact CB-CD1 3.63Å; F812-F876 HydrophobicContact CB-CE1 3.89Å; F812-F876 HydrophobicContact CB-CG 4.01Å; F812-F876 HydrophobicContact CB-CZ 4.47Å; F812-F876 HydrophobicContact CD1-CE1 4.41Å; F812-F876 HydrophobicContact CG-CD1 4.41Å; F812-F876 HydrophobicContact CG-CE1 4.2Å; F874-F876 HydrophobicContact CB-CD2 4.28Å; F874-F876 HydrophobicContact CB-CE2 3.72Å; F874-F876 HydrophobicContact CB-CZ 4.49Å; F876-M897 HydrophobicContact CD1-CE 4.21Å; F876-M897 HydrophobicContact CD1-SD 3.67Å; F876-M897 HydrophobicContact CE1-SD 4.2Å; F876-V900 HydrophobicContact CD1-CG1 4.49Å; F876-V900 HydrophobicContact CE1-CG1 3.72Å; F876-V900 HydrophobicContact CE2-CG1 4.17Å; F876-V900 HydrophobicContact CZ-CG1 3.53Å; F876-I902 HydrophobicContact CE2-CD1 4.37Å; F876-I902 HydrophobicContact CZ-CD1 4.48Å; F876-L909 HydrophobicContact CD2-CD2 4.18Å; F876-L909 HydrophobicContact CG-CD2 4.3Å
877	G	88.8	Confident	73.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.7	-141.6	-178.3	0	0	0	0	0	113.6	G779 L811	G779-G877 WeakPolarHBondContact O-CA 3.43Å; L811-G877 PolarHBondContact O-N 2.54Å
878	S	85.2	Confident	74.4	Confident	21 Å²	21	69.1 Å²	69.1	15%	0.147	35%	0.346	C	S	.	.	S	Bend	trans	-63.3	130.2	-175.8	-164.6	0	0	0	0	112.4	G779 R875	G779-S878 PolarHBondContact O-N 2.93Å; R875-S878 PolarHBondContact NE-O 3.17Å; R875-S878 VanDerWaalsContact NE-O 3.1Å; R875-S878 PolarHBondContact NH1-O 2.79Å; R875-S878 PolarHBondContact NH2-O 2.73Å
879	P	78.6	Confident	74.7	Confident	7 Å²	7	72.1 Å²	72.1	5%	0.045	37%	0.367	C	S	.	.			trans	-74	174.9	178.3	37.1	-43.3	0	0	0	112.2	I810 R875 V883 L884	I810-P879 HydrophobicContact CD1-CB 4.01Å; I810-P879 HydrophobicContact CD1-CG 3.84Å; R875-P879 PolarHBondContact NH1-O 3.18Å; P879-V883 HydrophobicContact CB-CB 4.08Å; P879-V883 HydrophobicContact CB-CG1 3.89Å; P879-L884 HydrophobicContact CG-CB 4Å; P879-L884 HydrophobicContact CG-CD1 3.45Å; P879-L884 VanDerWaalsContact CG-CD1 3.45Å; P879-L884 HydrophobicContact CG-CG 4.34Å
880	L	78.2	Confident	75.6	Confident	92 Å²	92	63.3 Å²	63.3	48%	0.482	34%	0.338	S	S	.	.			trans	-68	152.2	173.3	-75.7	165.6	0	0	0	108.9	D882 V883 L884	L880-D882 PolarHBondContact O-N 3.3Å; L880-V883 HydrophobicContact CB-CG2 4.32Å; L880-V883 PolarHBondContact O-N 3.4Å; L880-L884 PolarHBondContact O-N 2.83Å
881	A	75	Confident	76.4	Confident	67 Å²	67	62.5 Å²	62.5	55%	0.554	34%	0.341	S	S	*	.	H	α-helix	trans	-53.6	-41.4	-177.1	0	0	0	0	0	111.7	V883 L884 E885	A881-V883 VanDerWaalsContact C-N 3.32Å; A881-V883 PolarHBondContact O-N 2.67Å; A881-L884 WeakPolarHBondContact O-CB 3.31Å; A881-L884 PolarHBondContact O-N 3.01Å; A881-L884 VanDerWaalsContact O-N 3.15Å; A881-E885 PolarHBondContact O-N 3.07Å
882	D	74.5	Confident	77.1	Confident	123 Å²	123	59.6 Å²	59.6	66%	0.658	33%	0.328	S	S	*	.	H	α-helix	trans	-63.6	-36.7	-179.9	-21.8	-27.2	0	0	0	111.9	L880	L880-D882 PolarHBondContact O-N 3.3Å
883	V	72.3	Confident	77.9	Confident	24 Å²	24	55 Å²	55	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-77.3	-34.8	175.7	177	0	0	0	0	111	P879 L880 A881 E885 S886 L887	P879-V883 HydrophobicContact CB-CB 4.08Å; P879-V883 HydrophobicContact CB-CG1 3.89Å; L880-V883 HydrophobicContact CB-CG2 4.32Å; L880-V883 PolarHBondContact O-N 3.4Å; A881-V883 VanDerWaalsContact C-N 3.32Å; A881-V883 PolarHBondContact O-N 2.67Å; V883-E885 VanDerWaalsContact C-N 3.27Å; V883-E885 PolarHBondContact O-N 3.27Å; V883-S886 PolarHBondContact O-N 3.44Å; V883-S886 PolarHBondContact O-OG 2.8Å; V883-L887 HydrophobicContact CG1-CD1 3.76Å; V883-L887 PolarHBondContact O-N 2.99Å
884	L	66.3	Low	78.3	Confident	55 Å²	55	55 Å²	55	29%	0.288	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-33.7	175.3	-162.6	78.8	0	0	0	111	P879 L880 A881 K888 V890	P879-L884 HydrophobicContact CG-CB 4Å; P879-L884 HydrophobicContact CG-CD1 3.45Å; P879-L884 VanDerWaalsContact CG-CD1 3.45Å; P879-L884 HydrophobicContact CG-CG 4.34Å; L880-L884 PolarHBondContact O-N 2.83Å; A881-L884 WeakPolarHBondContact O-CB 3.31Å; A881-L884 PolarHBondContact O-N 3.01Å; A881-L884 VanDerWaalsContact O-N 3.15Å; L884-K888 WeakPolarHBondContact O-CG 3.29Å; L884-V890 WeakPolarHBondContact CD1-O 3.28Å
885	E	68.7	Low	78.5	Confident	139 Å²	139	55 Å²	55	65%	0.65	31%	0.309	S	S	*	.	H	α-helix	trans	-69.7	-34.1	176.7	-76.7	-172.8	166.5	0	0	113.4	A881 V883	A881-E885 PolarHBondContact O-N 3.07Å; V883-E885 VanDerWaalsContact C-N 3.27Å; V883-E885 PolarHBondContact O-N 3.27Å
886	S	70.3	Confident	78.3	Confident	92 Å²	92	53.3 Å²	53.3	64%	0.643	30%	0.303	S	S	*	.	H	α-helix	trans	-79.6	-19.5	178.8	64.1	0	0	0	0	114.1	V883	V883-S886 PolarHBondContact O-N 3.44Å; V883-S886 PolarHBondContact O-OG 2.8Å
887	L	70.4	Confident	78.2	Confident	79 Å²	79	53.3 Å²	53.3	41%	0.414	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	17.2	-175.5	-63.5	173.2	0	0	0	113.6	I810 V883 V890	I810-L887 HydrophobicContact CD1-CB 4.48Å; I810-L887 HydrophobicContact CD1-CD1 3.45Å; I810-L887 VanDerWaalsContact CD1-CD1 3.45Å; V883-L887 HydrophobicContact CG1-CD1 3.76Å; V883-L887 PolarHBondContact O-N 2.99Å; L887-V890 VanDerWaalsContact O-CB 3.24Å; L887-V890 WeakPolarHBondContact O-CB 3.41Å; L887-V890 WeakPolarHBondContact O-CG2 3.29Å; L887-V890 PolarHBondContact O-N 2.99Å
888	K	66.5	Low	77.7	Confident	141 Å²	141	55.1 Å²	55.1	61%	0.613	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	136.1	177.1	-69.3	-174.8	178	161.8	0	111	L884	L884-K888 WeakPolarHBondContact O-CG 3.29Å
889	P	60.5	Low	77	Confident	119 Å²	119	56.1 Å²	56.1	77%	0.773	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	cis	-101	46.4	17	40.1	-35	0	0	0	114.8
890	V	74	Confident	77	Confident	41 Å²	41	56 Å²	56	25%	0.248	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-89.5	139.5	179.1	-172.1	0	0	0	0	112	I810 L884 L887	I810-V890 HydrophobicContact CD1-CG1 4.39Å; I810-V890 HydrophobicContact CG1-CB 4.5Å; I810-V890 HydrophobicContact CG1-CG1 3.57Å; L884-V890 WeakPolarHBondContact CD1-O 3.28Å; L887-V890 VanDerWaalsContact O-CB 3.24Å; L887-V890 WeakPolarHBondContact O-CB 3.41Å; L887-V890 WeakPolarHBondContact O-CG2 3.29Å; L887-V890 PolarHBondContact O-N 2.99Å
891	T	81.9	Confident	76.7	Confident	59 Å²	59	53.9 Å²	53.9	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	172.8	173.7	67	0	0	0	0	112.6	D808 C809 I810	D808-T891 PolarHBondContact O-N 2.77Å; D808-T891 PolarHBondContact O-OG1 3.38Å; C809-T891 CarbonylContact C-O 3.57Å; C809-T891 WeakPolarHBondContact CA-O 3.39Å; I810-T891 PolarHBondContact N-O 3.39Å
892	G	83.7	Confident	76.8	Confident	9 Å²	9	50.7 Å²	50.7	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	155.5	165.4	0	0	0	0	0	112.1	E894	G892-E894 PolarHBondContact O-N 2.84Å
893	F	90.9	Very high	76.6	Confident	1 Å²	1	46 Å²	46	0%	0.004	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.7	128.4	173.9	172.4	-106.2	0	0	0	111.9	F775 F802 T804 C809 I810 L811 M897	F775-F893 HydrophobicContact CB-CD1 3.75Å; F775-F893 HydrophobicContact CB-CE1 4.05Å; F775-F893 HydrophobicContact CD1-CD1 4.08Å; F775-F893 AromaticContact CD2-CD1 3.87Å; F775-F893 HydrophobicContact CD2-CD1 3.87Å; F775-F893 AromaticContact CD2-CE1 3.7Å; F775-F893 HydrophobicContact CD2-CE1 3.7Å; F775-F893 HydrophobicContact CE2-CD1 4.5Å; F775-F893 HydrophobicContact CE2-CE1 4.35Å; F775-F893 AromaticContact CG-CD1 3.64Å; F775-F893 HydrophobicContact CG-CD1 3.64Å; F775-F893 AromaticContact CG-CE1 3.93Å; F775-F893 HydrophobicContact CG-CE1 3.93Å; F802-F893 HydrophobicContact CB-CE2 4.28Å; F802-F893 HydrophobicContact CB-CZ 4.03Å; F802-F893 AromaticContact CD2-CE2 3.95Å; F802-F893 HydrophobicContact CD2-CE2 3.95Å; F802-F893 HydrophobicContact CD2-CZ 4.48Å; F802-F893 HydrophobicContact CG-CE2 4.47Å; T804-F893 HydrophobicContact CG2-CE2 4.14Å; C809-F893 HydrophobicContact CB-CB 4.5Å; I810-F893 WeakPolarHBondContact O-CB 3.47Å; I810-F893 PolarHBondContact O-N 2.75Å; L811-F893 HydrophobicContact CD2-CB 4.47Å; L811-F893 HydrophobicContact CD2-CD2 3.29Å; L811-F893 HydrophobicContact CD2-CE2 3.42Å; L811-F893 VanDerWaalsContact CD2-CE2 3.42Å; L811-F893 HydrophobicContact CD2-CG 3.9Å; L811-F893 HydrophobicContact CD2-CZ 4.15Å; L811-F893 HydrophobicContact CG-CD2 4.44Å; F893-M897 HydrophobicContact CD1-CE 4.38Å; F893-M897 HydrophobicContact CE1-CB 4.32Å; F893-M897 HydrophobicContact CE1-CE 4.19Å
894	E	90.7	Very high	76.2	Confident	51 Å²	51	45 Å²	45	24%	0.238	25%	0.248	C	C	.	.			trans	-122.2	120	168.9	-68.9	173.8	-146.7	0	0	107.7	F775 T804 K806 G892	F775-E894 WeakPolarHBondContact O-CA 3.35Å; T804-E894 WeakPolarHBondContact CB-O 3.25Å; T804-E894 PolarHBondContact OG1-O 2.83Å; K806-E894 WeakPolarHBondContact CE-OE1 3.38Å; K806-E894 WeakPolarHBondContact CE-OE2 3.5Å; K806-E894 HydrophobicContact CG-CB 4.07Å; K806-E894 VanDerWaalsContact NZ-CD 3.26Å; K806-E894 IonicContact NZ-OE1 3.67Å; K806-E894 PolarHBondContact NZ-OE1 3.05Å; K806-E894 IonicContact NZ-OE2 3.37Å; K806-E894 PolarHBondContact NZ-OE2 2.89Å; G892-E894 PolarHBondContact O-N 2.84Å
895	G	90.4	Very high	76.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163	-166.4	-165.8	0	0	0	0	0	112	T774 F775 R803	T774-G895 CarbonylContact C-O 3.51Å; T774-G895 WeakPolarHBondContact CA-O 3.31Å; F775-G895 PolarHBondContact N-O 2.91Å; F775-G895 PolarHBondContact O-N 3.26Å; F775-G895 VanDerWaalsContact O-N 3.14Å; R803-G895 CarbonylContact O-C 3.59Å; R803-G895 WeakPolarHBondContact O-CA 3.39Å
896	C	87.8	Confident	75.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.3	170.5	-58.1	0	0	0	0	110.2	V772 T773 T774 F802 R803 W834 C923	V772-C896 HydrophobicContact CG1-CB 4.4Å; T773-C896 WeakPolarHBondContact O-CA 3.17Å; T774-C896 PolarHBondContact OG1-SG 2.92Å; T774-C896 VanDerWaalsContact OG1-SG 3.42Å; F802-C896 CarbonylContact C-O 3.54Å; F802-C896 WeakPolarHBondContact CA-O 3.47Å; R803-C896 HydrophobicContact CG-CB 3.97Å; R803-C896 PolarHBondContact N-O 2.87Å; R803-C896 PolarHBondContact O-N 3.07Å; W834-C896 HydrophobicContact CH2-CB 3.64Å; W834-C896 HydrophobicContact CZ2-CB 4.22Å; W834-C896 HydrophobicContact CZ3-CB 4.33Å; C896-C923 HydrophobicContact CB-CB 3.69Å; C896-C923 WeakPolarHBondContact CB-SG 3.33Å; C896-C923 WeakPolarHBondContact SG-CB 3.48Å; C896-C923 CovalentContact SG-SG 2Å; C896-C923 PolarHBondContact SG-SG 2.85Å
897	M	87.9	Confident	76	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140	174.3	-162.7	176.2	-75.5	0	0	109.3	T773 F775 F800 S801 L811 F876 F893 V900 L909	T773-M897 PolarHBondContact N-O 2.85Å; T773-M897 PolarHBondContact O-N 2.81Å; F775-M897 HydrophobicContact CD2-CB 4.38Å; F775-M897 HydrophobicContact CE2-CB 3.84Å; F800-M897 HydrophobicContact CB-CG 4.11Å; F800-M897 HydrophobicContact CB-SD 4.3Å; F800-M897 HydrophobicContact CD2-CE 4.07Å; F800-M897 HydrophobicContact CD2-CG 4.1Å; F800-M897 HydrophobicContact CD2-SD 4.11Å; F800-M897 HydrophobicContact CE2-CE 4.15Å; F800-M897 HydrophobicContact CG-CG 4.37Å; F800-M897 HydrophobicContact CG-SD 4.19Å; S801-M897 CarbonylContact O-C 3.56Å; S801-M897 VanDerWaalsContact O-CA 3.31Å; S801-M897 WeakPolarHBondContact O-CA 3.46Å; L811-M897 HydrophobicContact CB-CE 4.39Å; L811-M897 HydrophobicContact CD2-CE 4Å; F876-M897 HydrophobicContact CD1-CE 4.21Å; F876-M897 HydrophobicContact CD1-SD 3.67Å; F876-M897 HydrophobicContact CE1-SD 4.2Å; F893-M897 HydrophobicContact CD1-CE 4.38Å; F893-M897 HydrophobicContact CE1-CB 4.32Å; F893-M897 HydrophobicContact CE1-CE 4.19Å; M897-V900 HydrophobicContact CG-CG2 3.7Å; M897-V900 HydrophobicContact SD-CG2 3.57Å; M897-V900 VanDerWaalsContact SD-CG2 3.57Å; M897-L909 HydrophobicContact CB-CD1 4.47Å; M897-L909 HydrophobicContact SD-CD1 4.36Å
898	M	78.9	Confident	76.1	Confident	37 Å²	37	33.8 Å²	33.8	18%	0.182	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.2	175.3	72	177.9	-74.3	0	0	111.4	A767 L771 V772 S801 W834 V900	A767-M898 HydrophobicContact CB-CE 3.82Å; A767-M898 HydrophobicContact CB-SD 4.25Å; L771-M898 VanDerWaalsContact O-CA 3.3Å; L771-M898 WeakPolarHBondContact O-CA 3.21Å; V772-M898 HydrophobicContact CB-CB 4.43Å; V772-M898 HydrophobicContact CG2-CB 3.96Å; V772-M898 HydrophobicContact CG2-SD 4.47Å; S801-M898 PolarHBondContact N-O 2.81Å; S801-M898 PolarHBondContact O-N 3.29Å; W834-M898 HydrophobicContact CD2-SD 4.19Å; W834-M898 HydrophobicContact CE3-CG 3.98Å; W834-M898 HydrophobicContact CE3-SD 4.05Å; W834-M898 HydrophobicContact CH2-CB 4.04Å; W834-M898 HydrophobicContact CH2-CG 3.84Å; W834-M898 HydrophobicContact CH2-SD 3.91Å; W834-M898 HydrophobicContact CZ2-SD 4.05Å; W834-M898 HydrophobicContact CZ3-CB 4.05Å; W834-M898 HydrophobicContact CZ3-CG 3.51Å; W834-M898 HydrophobicContact CZ3-SD 3.92Å; M898-V900 PolarHBondContact O-N 2.86Å; M898-V900 VanDerWaalsContact O-N 3.16Å
899	S	69.6	Low	76.7	Confident	42 Å²	42	27.3 Å²	27.3	29%	0.294	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.5	32.5	173.5	-59.4	0	0	0	0	114.5	K901	S899-K901 PolarHBondContact O-N 2.82Å
900	V	77.9	Confident	77.4	Confident	5 Å²	5	22 Å²	22	3%	0.03	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.2	177.3	-175.7	0	0	0	0	110.1	S799 F800 F876 M897 M898 P906 K907 L909	S799-V900 CarbonylContact O-C 3.51Å; S799-V900 WeakPolarHBondContact O-CA 2.97Å; F800-V900 HydrophobicContact CB-CB 4.42Å; F800-V900 HydrophobicContact CB-CG2 3.93Å; F876-V900 HydrophobicContact CD1-CG1 4.49Å; F876-V900 HydrophobicContact CE1-CG1 3.72Å; F876-V900 HydrophobicContact CE2-CG1 4.17Å; F876-V900 HydrophobicContact CZ-CG1 3.53Å; M897-V900 HydrophobicContact CG-CG2 3.7Å; M897-V900 HydrophobicContact SD-CG2 3.57Å; M897-V900 VanDerWaalsContact SD-CG2 3.57Å; M898-V900 PolarHBondContact O-N 2.86Å; M898-V900 VanDerWaalsContact O-N 3.16Å; V900-P906 CarbonylContact O-C 3.49Å; V900-P906 VanDerWaalsContact O-CA 3.24Å; V900-P906 WeakPolarHBondContact O-CA 3.25Å; V900-K907 HydrophobicContact CG1-CB 4.33Å; V900-K907 PolarHBondContact O-N 2.89Å; V900-L909 HydrophobicContact CB-CD2 4.45Å; V900-L909 HydrophobicContact CG1-CD2 4.34Å; V900-L909 HydrophobicContact CG2-CD1 3.85Å; V900-L909 HydrophobicContact CG2-CD2 4.25Å; V900-L909 HydrophobicContact CG2-CG 4.06Å
901	K	72.6	Confident	77.4	Confident	48 Å²	48	25 Å²	25	21%	0.209	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.7	179.4	-65.2	171.8	-177	179.5	0	110.1	I798 S799 S899 G904 V905 P906	I798-K901 WeakPolarHBondContact CA-O 3.43Å; S799-K901 PolarHBondContact N-O 2.86Å; S799-K901 PolarHBondContact O-N 2.9Å; S799-K901 WeakPolarHBondContact OG-CB 3.42Å; S899-K901 PolarHBondContact O-N 2.82Å; K901-G904 WeakPolarHBondContact CB-O 3.28Å; K901-G904 WeakPolarHBondContact CD-O 3.45Å; K901-G904 WeakPolarHBondContact CG-O 3.22Å; K901-V905 CarbonylContact C-O 3.54Å; K901-V905 VanDerWaalsContact CA-O 3.27Å; K901-V905 WeakPolarHBondContact CA-O 3.1Å; K901-P906 HydrophobicContact CG-CB 4.13Å
902	I	77.3	Confident	76.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.2	171.8	-55.1	173.8	0	0	0	107.5	V783 T785 M796 Q797 F874 F876 G904 V905 K907	V783-I902 HydrophobicContact CG1-CD1 4.01Å; T785-I902 HydrophobicContact CG2-CB 4.48Å; T785-I902 HydrophobicContact CG2-CD1 4.25Å; T785-I902 HydrophobicContact CG2-CG2 3.68Å; M796-I902 HydrophobicContact CE-CG2 4.36Å; Q797-I902 CarbonylContact O-C 3.56Å; Q797-I902 WeakPolarHBondContact O-CA 3.48Å; F874-I902 HydrophobicContact CB-CD1 4.31Å; F874-I902 HydrophobicContact CD2-CD1 3.72Å; F874-I902 HydrophobicContact CE2-CD1 4.21Å; F874-I902 HydrophobicContact CE2-CG2 4.32Å; F874-I902 HydrophobicContact CG-CD1 3.97Å; F876-I902 HydrophobicContact CE2-CD1 4.37Å; F876-I902 HydrophobicContact CZ-CD1 4.48Å; I902-G904 PolarHBondContact O-N 2.67Å; I902-V905 PolarHBondContact N-O 3.3Å; I902-V905 WeakPolarHBondContact O-CA 3.43Å; I902-V905 VanDerWaalsContact O-CB 3.29Å; I902-V905 WeakPolarHBondContact O-CB 3.31Å; I902-V905 PolarHBondContact O-N 3.47Å; I902-K907 HydrophobicContact CD1-CG 4.13Å; I902-K907 HydrophobicContact CG1-CG 4.18Å
903	N	70.9	Confident	76.6	Confident	24 Å²	24	25.7 Å²	25.7	13%	0.128	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	46	-173.1	-64.3	-8.1	0	0	0	112.1	E789 M796 Q797 V905	E789-N903 PolarHBondContact O-ND2 2.96Å; M796-N903 VanDerWaalsContact CA-OD1 3.29Å; M796-N903 WeakPolarHBondContact CA-OD1 3.48Å; Q797-N903 PolarHBondContact N-OD1 3Å; Q797-N903 PolarHBondContact O-N 2.87Å; Q797-N903 PolarHBondContact O-OD1 3.04Å; N903-V905 PolarHBondContact O-N 3.39Å; N903-V905 VanDerWaalsContact O-N 3.16Å
904	G	62.3	Low	76.2	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-38.5	-172.2	0	0	0	0	0	113.1	L645 K901 I902 P906	L645-G904 VanDerWaalsContact CD1-O 3.25Å; L645-G904 WeakPolarHBondContact CD1-O 3.44Å; L645-G904 WeakPolarHBondContact CD2-O 3.13Å; K901-G904 WeakPolarHBondContact CB-O 3.28Å; K901-G904 WeakPolarHBondContact CD-O 3.45Å; K901-G904 WeakPolarHBondContact CG-O 3.22Å; I902-G904 PolarHBondContact O-N 2.67Å; G904-P906 WeakPolarHBondContact O-CD 3.47Å
905	V	65.1	Low	76	Confident	45 Å²	45	28.2 Å²	28.2	27%	0.273	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	112.6	-171	-171.8	0	0	0	0	113.1	L645 E789 K901 I902 N903	L645-V905 VanDerWaalsContact CD1-CA 3.44Å; L645-V905 HydrophobicContact CD1-CB 4.44Å; L645-V905 HydrophobicContact CD1-CG2 4.44Å; E789-V905 WeakPolarHBondContact OE1-CG2 3.34Å; K901-V905 CarbonylContact C-O 3.54Å; K901-V905 VanDerWaalsContact CA-O 3.27Å; K901-V905 WeakPolarHBondContact CA-O 3.1Å; I902-V905 PolarHBondContact N-O 3.3Å; I902-V905 WeakPolarHBondContact O-CA 3.43Å; I902-V905 VanDerWaalsContact O-CB 3.29Å; I902-V905 WeakPolarHBondContact O-CB 3.31Å; I902-V905 PolarHBondContact O-N 3.47Å; N903-V905 PolarHBondContact O-N 3.39Å; N903-V905 VanDerWaalsContact O-N 3.16Å
906	P	64	Low	75.8	Confident	32 Å²	32	28.6 Å²	28.6	21%	0.208	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.9	-177.9	26.7	-31.9	0	0	0	108.8	L645 V900 K901 G904	L645-P906 HydrophobicContact CD1-CG 4.06Å; L645-P906 HydrophobicContact CG-CG 3.78Å; V900-P906 CarbonylContact O-C 3.49Å; V900-P906 VanDerWaalsContact O-CA 3.24Å; V900-P906 WeakPolarHBondContact O-CA 3.25Å; K901-P906 HydrophobicContact CG-CB 4.13Å; G904-P906 WeakPolarHBondContact O-CD 3.47Å
907	K	72.2	Confident	75.6	Confident	19 Å²	19	31.8 Å²	31.8	8%	0.083	17%	0.166	C	C	.	.			trans	-113.5	110.5	-178.4	-56.6	-66.1	-177.3	176	0	106.9	V783 E789 V900 I902 L909	V783-K907 HydrophobicContact CG1-CB 3.89Å; V783-K907 HydrophobicContact CG1-CD 3.67Å; V783-K907 HydrophobicContact CG1-CG 3.65Å; E789-K907 IonicContact OE1-NZ 2.91Å; E789-K907 IonicContact OE2-NZ 3.41Å; E789-K907 PolarHBondContact OE2-NZ 3.21Å; V900-K907 HydrophobicContact CG1-CB 4.33Å; V900-K907 PolarHBondContact O-N 2.89Å; I902-K907 HydrophobicContact CD1-CG 4.13Å; I902-K907 HydrophobicContact CG1-CG 4.18Å; K907-L909 PolarHBondContact O-N 3.04Å; K907-L909 VanDerWaalsContact O-N 3.16Å
908	R	72.5	Confident	75.6	Confident	34 Å²	34	34.7 Å²	34.7	13%	0.128	18%	0.178	C	C	.	.			trans	-82	96.5	179	-51.5	179.3	-179.9	-150.9	1.5	107.9	S644 E770 L771 L910 R911 D912 R941	S644-R908 PolarHBondContact OG-NH2 3.43Å; E770-R908 IonicContact OE2-NH1 3.7Å; E770-R908 PolarHBondContact OE2-NH1 3.2Å; L771-R908 HydrophobicContact CD2-CG 4.05Å; R908-L910 PolarHBondContact O-N 3.48Å; R908-R911 PolarHBondContact O-N 3.42Å; R908-D912 WeakPolarHBondContact CB-OD2 3.37Å; R908-D912 WeakPolarHBondContact CG-OD2 3.28Å; R908-D912 PolarHBondContact N-OD2 3.38Å; R908-D912 PolarHBondContact O-N 3.38Å; R908-R941 VanDerWaalsContact CD-NH2 3.32Å; R908-R941 VanDerWaalsContact NH1-NE 3.14Å
909	L	79.4	Confident	75.9	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-23.9	-167.2	-64.5	177.5	0	0	0	116.3	T773 F775 A781 V783 F876 M897 V900 K907 C913	T773-L909 HydrophobicContact CG2-CB 4.35Å; T773-L909 HydrophobicContact CG2-CD1 4.47Å; F775-L909 HydrophobicContact CE2-CD1 3.71Å; F775-L909 HydrophobicContact CZ-CD1 3.67Å; A781-L909 HydrophobicContact CB-CB 4.29Å; A781-L909 HydrophobicContact CB-CD2 3.98Å; V783-L909 HydrophobicContact CG2-CD2 3.9Å; F876-L909 HydrophobicContact CD2-CD2 4.18Å; F876-L909 HydrophobicContact CG-CD2 4.3Å; M897-L909 HydrophobicContact CB-CD1 4.47Å; M897-L909 HydrophobicContact SD-CD1 4.36Å; V900-L909 HydrophobicContact CB-CD2 4.45Å; V900-L909 HydrophobicContact CG1-CD2 4.34Å; V900-L909 HydrophobicContact CG2-CD1 3.85Å; V900-L909 HydrophobicContact CG2-CD2 4.25Å; V900-L909 HydrophobicContact CG2-CG 4.06Å; K907-L909 PolarHBondContact O-N 3.04Å; K907-L909 VanDerWaalsContact O-N 3.16Å; L909-C913 PolarHBondContact O-SG 2.79Å
910	L	75.1	Confident	76.4	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.042	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.1	176.8	-67.4	171.3	0	0	0	114.5	T773 R908 F916 L919 Q921 F939	T773-L910 HydrophobicContact CG2-CD1 4.42Å; T773-L910 HydrophobicContact CG2-CD2 4.14Å; T773-L910 HydrophobicContact CG2-CG 4.05Å; R908-L910 PolarHBondContact O-N 3.48Å; L910-F916 HydrophobicContact CB-CZ 4.45Å; L910-F916 HydrophobicContact CD2-CD2 4.05Å; L910-F916 HydrophobicContact CD2-CE2 3.45Å; L910-F916 VanDerWaalsContact CD2-CE2 3.45Å; L910-F916 HydrophobicContact CD2-CZ 3.96Å; L910-F916 WeakPolarHBondContact O-CZ 3.49Å; L910-L919 HydrophobicContact CD2-CB 3.6Å; L910-L919 HydrophobicContact CD2-CD1 4.41Å; L910-Q921 HydrophobicContact CD1-CB 3.63Å; L910-Q921 HydrophobicContact CD1-CG 4.18Å; L910-F939 HydrophobicContact CB-CB 4.42Å; L910-F939 HydrophobicContact CD1-CD2 4.3Å; L910-F939 HydrophobicContact CD2-CD2 4.31Å
911	R	74.8	Confident	76.3	Confident	104 Å²	104	38 Å²	38	39%	0.392	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-38.7	-177.5	-170.8	-169.6	-166.2	179.8	10.2	114	R908 R941	R908-R911 PolarHBondContact O-N 3.42Å; R911-R941 HydrophobicContact CB-CG 4.44Å; R911-R941 HydrophobicContact CG-CG 4.33Å
912	D	71.7	Confident	76.1	Confident	65 Å²	65	35.9 Å²	35.9	35%	0.348	18%	0.18	S	C	.	.	S	Bend	trans	-95.5	1.5	-170	-53.3	-12.1	0	0	0	111.7	R908	R908-D912 WeakPolarHBondContact CB-OD2 3.37Å; R908-D912 WeakPolarHBondContact CG-OD2 3.28Å; R908-D912 PolarHBondContact N-OD2 3.38Å; R908-D912 PolarHBondContact O-N 3.38Å
913	C	76.4	Confident	75.8	Confident	18 Å²	18	37 Å²	37	12%	0.122	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	146	175	59.7	0	0	0	0	111.7	A781 L782 V783 L909 S915 F916	A781-C913 HydrophobicContact CB-CB 4.34Å; L782-C913 CarbonylContact O-C 3.57Å; L782-C913 WeakPolarHBondContact O-CA 3.28Å; L782-C913 WeakPolarHBondContact O-CB 3.49Å; V783-C913 HydrophobicContact CG2-CB 4.32Å; L909-C913 PolarHBondContact O-SG 2.79Å; C913-S915 VanDerWaalsContact C-N 3.33Å; C913-F916 WeakPolarHBondContact SG-CD1 3.37Å
914	V	82.9	Confident	75.1	Confident	79 Å²	79	40.5 Å²	40.5	48%	0.479	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-41.2	169.3	-179	0	0	0	0	110.8	L782 E784 L873	L782-V914 HydrophobicContact CB-CB 4.46Å; L782-V914 HydrophobicContact CD2-CB 4.13Å; L782-V914 HydrophobicContact CD2-CG1 4.22Å; L782-V914 HydrophobicContact CG-CB 4.38Å; L782-V914 PolarHBondContact O-N 3.32Å; E784-V914 HydrophobicContact CB-CG2 3.75Å; L873-V914 HydrophobicContact CD2-CG2 3.98Å
915	S	85.8	Confident	74.5	Confident	25 Å²	25	43.5 Å²	43.5	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157.9	176.5	66.2	0	0	0	0	111	L782 C913	L782-S915 WeakPolarHBondContact CB-OG 3.46Å; L782-S915 PolarHBondContact N-O 3.15Å; C913-S915 VanDerWaalsContact C-N 3.33Å
916	F	85.9	Confident	73.7	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	157.2	174.8	66.3	-80.7	0	0	0	111	Y780 A781 L910 C913 L919 K938 F939	Y780-F916 CarbonylContact O-C 3.48Å; Y780-F916 WeakPolarHBondContact O-CA 3.28Å; Y780-F916 WeakPolarHBondContact O-CB 3.34Å; A781-F916 HydrophobicContact CB-CB 4.26Å; L910-F916 HydrophobicContact CB-CZ 4.45Å; L910-F916 HydrophobicContact CD2-CD2 4.05Å; L910-F916 HydrophobicContact CD2-CE2 3.45Å; L910-F916 VanDerWaalsContact CD2-CE2 3.45Å; L910-F916 HydrophobicContact CD2-CZ 3.96Å; L910-F916 WeakPolarHBondContact O-CZ 3.49Å; C913-F916 WeakPolarHBondContact SG-CD1 3.37Å; F916-L919 HydrophobicContact CB-CD1 3.69Å; F916-L919 HydrophobicContact CB-CG 4.39Å; F916-L919 HydrophobicContact CD2-CB 4.04Å; F916-L919 HydrophobicContact CD2-CD1 3.93Å; F916-L919 HydrophobicContact CD2-CG 4.15Å; F916-L919 HydrophobicContact CG-CD1 4.18Å; F916-K938 HydrophobicContact CD1-CB 4.43Å; F916-K938 HydrophobicContact CD1-CD 4.22Å; F916-K938 HydrophobicContact CD1-CG 3.76Å; F916-K938 HydrophobicContact CD2-CG 4.32Å; F916-K938 HydrophobicContact CE1-CB 3.75Å; F916-K938 HydrophobicContact CE1-CD 4.17Å; F916-K938 HydrophobicContact CE1-CG 3.58Å; F916-K938 VanDerWaalsContact CE2-CA 3.49Å; F916-K938 HydrophobicContact CE2-CB 4.18Å; F916-K938 HydrophobicContact CE2-CG 4.14Å; F916-K938 HydrophobicContact CG-CG 4.22Å; F916-K938 HydrophobicContact CZ-CB 3.67Å; F916-K938 HydrophobicContact CZ-CG 3.85Å; F916-F939 HydrophobicContact CZ-CB 4.42Å; F916-F939 VanDerWaalsContact CZ-N 3.25Å
917	E	85.6	Confident	72.2	Confident	67 Å²	67	47.5 Å²	47.5	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.3	173.2	-69.1	-171.9	166.2	0	0	110.7	G779 Y780 L919	G779-E917 CarbonylContact C-O 3.48Å; G779-E917 WeakPolarHBondContact CA-O 3.31Å; Y780-E917 HydrophobicContact CD1-CB 4.03Å; Y780-E917 HydrophobicContact CE1-CB 3.66Å; Y780-E917 HydrophobicContact CE1-CG 3.69Å; Y780-E917 PolarHBondContact N-O 3.16Å; Y780-E917 PolarHBondContact O-N 2.88Å; E917-L919 VanDerWaalsContact C-N 3.29Å; E917-L919 WeakPolarHBondContact O-CG 3.31Å; E917-L919 PolarHBondContact O-N 3.22Å
918	Y	86.5	Confident	70	Confident	61 Å²	61	53.3 Å²	53.3	24%	0.239	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.6	41.8	176.4	-50.4	-80.5	0	0	0	115.4	Y776	Y776-Y918 PolarHBondContact N-O 3.03Å
919	L	84.7	Confident	68	Low	11 Å²	11	57.8 Å²	57.8	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.9	174.5	-56.7	-176	0	0	0	111.1	T773 T774 F775 A781 L910 F916 E917	T773-L919 HydrophobicContact CG2-CB 3.71Å; T773-L919 HydrophobicContact CG2-CD1 3.98Å; T773-L919 HydrophobicContact CG2-CD2 4.17Å; T773-L919 HydrophobicContact CG2-CG 4.16Å; T774-L919 CarbonylContact O-C 3.48Å; T774-L919 VanDerWaalsContact O-CA 3.26Å; T774-L919 WeakPolarHBondContact O-CA 3.33Å; F775-L919 HydrophobicContact CB-CD2 4.15Å; F775-L919 HydrophobicContact CD1-CD2 3.25Å; F775-L919 HydrophobicContact CD2-CD2 3.9Å; F775-L919 HydrophobicContact CE1-CD1 4.49Å; F775-L919 HydrophobicContact CE1-CD2 3.46Å; F775-L919 VanDerWaalsContact CE1-CD2 3.46Å; F775-L919 HydrophobicContact CE2-CD2 4.07Å; F775-L919 HydrophobicContact CG-CD2 3.48Å; F775-L919 VanDerWaalsContact CG-CD2 3.48Å; F775-L919 HydrophobicContact CZ-CD1 4.49Å; F775-L919 HydrophobicContact CZ-CD2 3.88Å; A781-L919 HydrophobicContact CB-CD1 3.72Å; L910-L919 HydrophobicContact CD2-CB 3.6Å; L910-L919 HydrophobicContact CD2-CD1 4.41Å; F916-L919 HydrophobicContact CB-CD1 3.69Å; F916-L919 HydrophobicContact CB-CG 4.39Å; F916-L919 HydrophobicContact CD2-CB 4.04Å; F916-L919 HydrophobicContact CD2-CD1 3.93Å; F916-L919 HydrophobicContact CD2-CG 4.15Å; F916-L919 HydrophobicContact CG-CD1 4.18Å; E917-L919 VanDerWaalsContact C-N 3.29Å; E917-L919 WeakPolarHBondContact O-CG 3.31Å; E917-L919 PolarHBondContact O-N 3.22Å
920	H	80.9	Confident	65.4	Low	91 Å²	91	63.4 Å²	63.4	42%	0.421	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147	176.7	-172.9	-84.9	0	0	0	111.6	T773 T774 Y776	T773-H920 CarbonylContact C-O 3.59Å; T773-H920 WeakPolarHBondContact CA-O 3.32Å; T774-H920 PolarHBondContact N-O 2.8Å; T774-H920 PolarHBondContact O-N 2.91Å; Y776-H920 HydrophobicContact CE2-CB 3.68Å
921	Q	74.9	Confident	63.1	Low	50 Å²	50	65.8 Å²	65.8	23%	0.234	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.7	178.8	-170.9	174.8	-19.5	0	0	111	E769 E770 L910	E769-Q921 HydrophobicContact CB-CG 4.39Å; E769-Q921 WeakPolarHBondContact O-CG 3.23Å; E770-Q921 VanDerWaalsContact CA-NE2 3.26Å; E770-Q921 VanDerWaalsContact N-NE2 3.17Å; L910-Q921 HydrophobicContact CD1-CB 3.63Å; L910-Q921 HydrophobicContact CD1-CG 4.18Å
922	G	69	Low	60.8	Low	4 Å²	4	72.6 Å²	72.6	4%	0.041	43%	0.43	C	S	.	.	S	Bend	trans	80.7	-174.8	-177.1	0	0	0	0	0	113.4	E769 V772 T774	E769-G922 PolarHBondContact O-N 3.01Å; E769-G922 VanDerWaalsContact O-N 3.14Å; V772-G922 PolarHBondContact O-N 2.98Å; T774-G922 PolarHBondContact N-O 3.44Å; T774-G922 PolarHBondContact OG1-O 3.07Å
923	C	70.7	Confident	58.8	Low	24 Å²	24	80.6 Å²	80.6	16%	0.162	46%	0.455	C	S	.	.			trans	-151.2	65.4	-177.6	-174	0	0	0	0	111.6	V772 R803 W834 C896	V772-C923 HydrophobicContact CG1-CB 3.37Å; R803-C923 PolarHBondContact NE-SG 3.43Å; R803-C923 PolarHBondContact NH2-O 3.06Å; R803-C923 PolarHBondContact NH2-SG 2.94Å; W834-C923 HydrophobicContact CZ2-CB 4.41Å; C896-C923 HydrophobicContact CB-CB 3.69Å; C896-C923 WeakPolarHBondContact CB-SG 3.33Å; C896-C923 WeakPolarHBondContact SG-CB 3.48Å; C896-C923 CovalentContact SG-SG 2Å; C896-C923 PolarHBondContact SG-SG 2.85Å
924	S	56.7	Low	56.4	Low	98 Å²	98	85.9 Å²	85.9	69%	0.685	48%	0.482	S	S	*	.			trans	-127.3	123.2	178.9	31.9	0	0	0	0	108.2
925	G	49.3	Very low	53.8	Low	65 Å²	65	86.3 Å²	86.3	67%	0.67	49%	0.489	S	S	*	.			trans	118.5	16.1	171.8	0	0	0	0	0	119.1	S927	G925-S927 PolarHBondContact O-N 3.06Å
926	M	49.1	Very low	51.1	Low	73 Å²	73	89 Å²	89	36%	0.36	50%	0.501	S	S	.	.			trans	-73.1	15	175.5	-68.3	-174.2	97.5	0	0	114.9	M832 T928	M832-M926 HydrophobicContact CE-CB 3.72Å; M832-M926 HydrophobicContact CE-CG 4.33Å; M832-M926 HydrophobicContact CE-SD 3.73Å; M832-M926 HydrophobicContact SD-SD 4.4Å; M926-T928 PolarHBondContact O-N 3.06Å
927	S	32.1	Very low	48.3	Very low	88 Å²	88	93.8 Å²	93.8	62%	0.615	52%	0.522	S	S	*	.	S	Bend	trans	-82.3	105.7	171.6	52.7	0	0	0	0	110.3	G925 V929	G925-S927 PolarHBondContact O-N 3.06Å; S927-V929 PolarHBondContact O-N 2.76Å
928	T	26.5	Very low	45.7	Very low	141 Å²	141	96.4 Å²	96.4	87%	0.865	53%	0.532	S	S	*	.			trans	17.1	84.2	156	56.5	0	0	0	0	116.4	M926	M926-T928 PolarHBondContact O-N 3.06Å
929	V	29.5	Very low	42.9	Very low	129 Å²	129	98 Å²	98	78%	0.782	54%	0.541	S	S	*	.			trans	-129.7	106.3	157.6	-176.8	0	0	0	0	108.4	S927 G931	S927-V929 PolarHBondContact O-N 2.76Å; V929-G931 PolarHBondContact O-N 3.34Å
930	S	26.1	Very low	40.2	Very low	121 Å²	121	102.6 Å²	102.6	85%	0.846	57%	0.571	S	S	*	*			trans	-60.7	120.8	167.4	50.3	0	0	0	0	110.2
931	G	25.8	Very low	37.7	Very low	59 Å²	59	100.2 Å²	100.2	61%	0.608	56%	0.559	S	S	*	*			trans	101.2	95.8	158.7	0	0	0	0	0	114.4	V929	V929-G931 PolarHBondContact O-N 3.34Å
932	Y	27.3	Very low	35.5	Very low	247 Å²	247	101.9 Å²	101.9	97%	0.969	58%	0.576	S	S	*	*			trans	-155.6	122.8	133.3	-110.2	-81.9	0	0	0	109.1
933	R	28.2	Very low	33.5	Very low	232 Å²	232	107.9 Å²	107.9	88%	0.875	61%	0.612	S	S	*	*			trans	-79.8	145.1	-178.8	-76	177.5	173.9	-177.3	-2.4	110.7
934	N	27.1	Very low	31.5	Very low	129 Å²	129	113.4 Å²	113.4	69%	0.69	64%	0.637	S	S	*	*			trans	37.7	111.4	151.8	-70.5	-1.3	0	0	0	118.5
935	S	28.8	Very low	30.2	Very low	88 Å²	88	120.3 Å²	120.3	62%	0.615	65%	0.648	S	S	*	*				157	120.6	98.1	59.7	0	0	0	0	112
936	N	28.2	Very low	29.4	Very low	81 Å²	81	128 Å²	128	43%	0.433	66%	0.657	S	S	.	*			trans	46.5	100.4	139.6	-58.9	-12.9	0	0	0	119.2
937	F	27.7	Very low	28.4	Very low	110 Å²	110	137 Å²	137	48%	0.482	69%	0.687	S	S	.	*			trans	-140.2	126.4	150.3	-105.1	-75.6	0	0	0	115	H981	F937-H981 AromaticContact CD1-CE1 3.31Å; F937-H981 WeakPolarHBondContact CD1-CE1 3.5Å; F937-H981 AromaticContact CD1-NE2 3.3Å; F937-H981 VanDerWaalsContact CD1-NE2 3.3Å; F937-H981 WeakPolarHBondContact CD1-NE2 3.5Å; F937-H981 AromaticContact CD2-CE1 3.36Å; F937-H981 WeakPolarHBondContact CD2-CE1 3.29Å; F937-H981 AromaticContact CD2-ND1 3.43Å; F937-H981 WeakPolarHBondContact CD2-ND1 3.31Å; F937-H981 AromaticContact CE1-CD2 3.24Å; F937-H981 WeakPolarHBondContact CE1-CD2 3.49Å; F937-H981 AromaticContact CE1-CE1 3.27Å; F937-H981 WeakPolarHBondContact CE1-CE1 3.45Å; F937-H981 AromaticContact CE1-CG 3.65Å; F937-H981 AromaticContact CE1-ND1 3.67Å; F937-H981 AromaticContact CE1-NE2 2.98Å; F937-H981 WeakPolarHBondContact CE1-NE2 3.49Å; F937-H981 HydrophobicContact CE2-CB 4.02Å; F937-H981 AromaticContact CE2-CD2 3.92Å; F937-H981 AromaticContact CE2-CE1 3.34Å; F937-H981 WeakPolarHBondContact CE2-CE1 3.43Å; F937-H981 AromaticContact CE2-CG 3.4Å; F937-H981 VanDerWaalsContact CE2-CG 3.4Å; F937-H981 AromaticContact CE2-ND1 3.01Å; F937-H981 WeakPolarHBondContact CE2-ND1 3.37Å; F937-H981 AromaticContact CE2-NE2 3.89Å; F937-H981 AromaticContact CG-CE1 3.39Å; F937-H981 WeakPolarHBondContact CG-CE1 3.23Å; F937-H981 AromaticContact CG-ND1 3.96Å; F937-H981 AromaticContact CG-NE2 3.9Å; F937-H981 HydrophobicContact CZ-CB 3.74Å; F937-H981 AromaticContact CZ-CD2 3.18Å; F937-H981 WeakPolarHBondContact CZ-CD2 3.21Å; F937-H981 AromaticContact CZ-CE1 3.3Å; F937-H981 WeakPolarHBondContact CZ-CE1 3.47Å; F937-H981 AromaticContact CZ-CG 3.07Å; F937-H981 AromaticContact CZ-ND1 3.17Å; F937-H981 WeakPolarHBondContact CZ-ND1 3.23Å; F937-H981 AromaticContact CZ-NE2 3.33Å; F937-H981 VanDerWaalsContact CZ-NE2 3.33Å; F937-H981 WeakPolarHBondContact CZ-NE2 3.42Å
938	K	29.8	Very low	28.3	Very low	122 Å²	122	141.5 Å²	141.5	53%	0.53	70%	0.696	S	S	.	*			trans	-94.3	126.6	169.6	-73.4	-174	174	176.4	0	110.9	F916	F916-K938 HydrophobicContact CD1-CB 4.43Å; F916-K938 HydrophobicContact CD1-CD 4.22Å; F916-K938 HydrophobicContact CD1-CG 3.76Å; F916-K938 HydrophobicContact CD2-CG 4.32Å; F916-K938 HydrophobicContact CE1-CB 3.75Å; F916-K938 HydrophobicContact CE1-CD 4.17Å; F916-K938 HydrophobicContact CE1-CG 3.58Å; F916-K938 VanDerWaalsContact CE2-CA 3.49Å; F916-K938 HydrophobicContact CE2-CB 4.18Å; F916-K938 HydrophobicContact CE2-CG 4.14Å; F916-K938 HydrophobicContact CG-CG 4.22Å; F916-K938 HydrophobicContact CZ-CB 3.67Å; F916-K938 HydrophobicContact CZ-CG 3.85Å
939	F	27.6	Very low	28.5	Very low	94 Å²	94	146.3 Å²	146.3	41%	0.412	70%	0.698	S	S	.	*			trans	-75.3	155.8	161.8	-81.3	-86.8	0	0	0	112.4	L910 F916	L910-F939 HydrophobicContact CB-CB 4.42Å; L910-F939 HydrophobicContact CD1-CD2 4.3Å; L910-F939 HydrophobicContact CD2-CD2 4.31Å; F916-F939 HydrophobicContact CZ-CB 4.42Å; F916-F939 VanDerWaalsContact CZ-N 3.25Å
940	P	29.7	Very low	28.8	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	69%	0.689	S	S	*	*				-143.5	148.6	121	28.3	-9.5	0	0	0	115.7
941	R	27.8	Very low	29.5	Very low	41 Å²	41	144.1 Å²	144.1	16%	0.155	68%	0.676	C	S	.	*			trans	-56	141	177.1	-59.2	-169.5	176.3	82.7	7.5	115.2	E770 R908 R911	E770-R941 VanDerWaalsContact CD-NE 3.27Å; E770-R941 PolarHBondContact O-NH2 3.09Å; E770-R941 IonicContact OE1-NE 2.99Å; E770-R941 WeakPolarHBondContact OE2-CD 3.45Å; E770-R941 IonicContact OE2-CZ 2.7Å; E770-R941 IonicContact OE2-NE 2.93Å; E770-R941 PolarHBondContact OE2-NE 2.03Å; E770-R941 IonicContact OE2-NH2 3.96Å; R908-R941 VanDerWaalsContact CD-NH2 3.32Å; R908-R941 VanDerWaalsContact NH1-NE 3.14Å; R911-R941 HydrophobicContact CB-CG 4.44Å; R911-R941 HydrophobicContact CG-CG 4.33Å
942	S	28.4	Very low	30.3	Very low	85 Å²	85	150.5 Å²	150.5	59%	0.594	69%	0.69	S	S	*	*				150	148.1	106.4	60.2	0	0	0	0	112.1
943	T	28	Very low	31.8	Very low	130 Å²	130	144.9 Å²	144.9	80%	0.798	67%	0.673	S	S	*	*			trans	82.5	94.6	172	64.2	0	0	0	0	118
944	M	28.1	Very low	33.4	Very low	141 Å²	141	134.5 Å²	134.5	70%	0.695	64%	0.638	S	S	*	*			trans	-154	78.8	139.5	-110.5	-170	-148.1	0	0	113.4	L1022	M944-L1022 HydrophobicContact CE-CD1 4.1Å; M944-L1022 HydrophobicContact CE-CD2 4.2Å; M944-L1022 HydrophobicContact CE-CG 3.84Å; M944-L1022 HydrophobicContact SD-CD2 4.32Å
945	R	29	Very low	35.6	Very low	243 Å²	243	132 Å²	132	92%	0.917	62%	0.619	S	S	*	*			trans	-78.3	106.6	145.3	-90.4	-174.6	175.1	176	0.4	107.5
946	R	32.4	Very low	37.4	Very low	226 Å²	226	127.8 Å²	127.8	85%	0.853	59%	0.59	S	S	*	*	S	Bend	trans	150.8	112.1	143.4	-88	178.3	172.6	-178.3	-1.7	109.1	K948	R946-K948 PolarHBondContact O-N 2.94Å
947	R	27.6	Very low	39.3	Very low	262 Å²	262	126.1 Å²	126.1	99%	0.989	58%	0.583	S	S	*	*			trans	-47.2	106.4	163.7	-74.4	177.3	171.2	178.2	-4	109.8
948	K	31.3	Very low	41.2	Very low	183 Å²	183	122.2 Å²	122.2	80%	0.796	57%	0.568	S	S	*	*			trans	-124.5	128.1	155.9	-96	-174.2	173.8	-176.8	0	106.7	R946 L950	R946-K948 PolarHBondContact O-N 2.94Å; K948-L950 PolarHBondContact O-N 2.89Å
949	R	30.6	Very low	42.9	Very low	241 Å²	241	119.6 Å²	119.6	91%	0.909	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-49.3	127.2	178.3	-67.3	176.8	-173.7	-177.8	0.6	109.7
950	L	34.5	Very low	44.7	Very low	115 Å²	115	116.6 Å²	116.6	60%	0.602	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-59.8	150.7	166.9	-81.4	151.5	0	0	0	109.8	K948 E952 L1022	K948-L950 PolarHBondContact O-N 2.89Å; L950-E952 PolarHBondContact O-N 2.95Å; L950-L1022 HydrophobicContact CD2-CD2 3.73Å; L950-L1022 HydrophobicContact CG-CD2 4.31Å
951	P	41.5	Very low	46.3	Very low	89 Å²	89	118.9 Å²	118.9	58%	0.578	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.5	133.7	176	-13.5	27.1	0	0	0	110.4	E953	P951-E953 PolarHBondContact O-N 2.83Å
952	E	41.9	Very low	48.1	Very low	194 Å²	194	117.9 Å²	117.9	91%	0.907	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-5.3	-170.2	-72.3	176.7	157.6	0	0	115.9	L950	L950-E952 PolarHBondContact O-N 2.95Å
953	E	58.8	Low	49.9	Very low	129 Å²	129	125.2 Å²	125.2	60%	0.603	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	-8.7	-173.4	-61.4	-161.5	164.2	0	0	116.2	P951 Y955	P951-E953 PolarHBondContact O-N 2.83Å; E953-Y955 HydrophobicContact CB-CD2 3.68Å; E953-Y955 HydrophobicContact CB-CE2 3.84Å; E953-Y955 VanDerWaalsContact O-CD2 3.28Å; E953-Y955 WeakPolarHBondContact O-CD2 3.3Å; E953-Y955 VanDerWaalsContact O-CE2 3.31Å; E953-Y955 WeakPolarHBondContact O-CE2 3.36Å; E953-Y955 PolarHBondContact O-N 2.83Å
954	G	63.1	Low	51.8	Low	13 Å²	13	127.4 Å²	127.4	13%	0.134	56%	0.558	C	S	.	*			trans	65.9	36	170.4	0	0	0	0	0	116.2	K975 I976 S977	G954-K975 CarbonylContact O-C 3.52Å; G954-K975 WeakPolarHBondContact O-CA 3.29Å; G954-K975 WeakPolarHBondContact O-CG 3.5Å; G954-I976 WeakPolarHBondContact O-CG1 3.48Å; G954-I976 PolarHBondContact O-N 3.2Å; G954-S977 VanDerWaalsContact CA-OG 3.32Å; G954-S977 WeakPolarHBondContact CA-OG 3.44Å; G954-S977 PolarHBondContact O-OG 3.25Å
955	Y	73.6	Confident	53.7	Low	76 Å²	76	122 Å²	122	30%	0.298	53%	0.534	S	S	.	.			trans	-114.1	158.5	174.3	-62.1	-72.4	0	0	0	111.7	E953 K972 K975 I976	E953-Y955 HydrophobicContact CB-CD2 3.68Å; E953-Y955 HydrophobicContact CB-CE2 3.84Å; E953-Y955 VanDerWaalsContact O-CD2 3.28Å; E953-Y955 WeakPolarHBondContact O-CD2 3.3Å; E953-Y955 VanDerWaalsContact O-CE2 3.31Å; E953-Y955 WeakPolarHBondContact O-CE2 3.36Å; E953-Y955 PolarHBondContact O-N 2.83Å; Y955-K972 WeakPolarHBondContact CE1-O 3.31Å; Y955-K975 HydrophobicContact CD1-CB 4.32Å; Y955-K975 HydrophobicContact CE1-CB 3.88Å; Y955-K975 HydrophobicContact CE1-CG 4.3Å; Y955-I976 VanDerWaalsContact C-CD1 3.41Å; Y955-I976 WeakPolarHBondContact O-CD1 3.45Å
956	C	66.3	Low	55.6	Low	1 Å²	1	115.1 Å²	115.1	1%	0.007	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.9	-179.3	-164	0	0	0	0	111.9	E971 I976 I995 V997 L1023	C956-E971 PolarHBondContact O-N 2.68Å; C956-I976 HydrophobicContact CB-CD1 4.35Å; C956-I976 HydrophobicContact CB-CG2 4.29Å; C956-I995 HydrophobicContact CB-CD1 3.94Å; C956-V997 HydrophobicContact CB-CG2 3.98Å; C956-L1023 HydrophobicContact CB-CD1 4.49Å
957	V	67.6	Low	57.3	Low	46 Å²	46	104.4 Å²	104.4	28%	0.279	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.2	-178.8	178.7	0	0	0	0	109.8	R968 E970	V957-R968 HydrophobicContact CG1-CG 4.09Å; V957-E970 HydrophobicContact CG1-CG 4.17Å; V957-E970 HydrophobicContact CG2-CB 4.49Å; V957-E970 HydrophobicContact CG2-CG 4.04Å
958	V	67.7	Low	59.5	Low	27 Å²	27	97.9 Å²	97.9	16%	0.164	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	172.8	-176.8	0	0	0	0	109.1	R968 V969 F986 L993 I995	V958-R968 CarbonylContact O-C 3.56Å; V958-R968 VanDerWaalsContact O-CA 3.32Å; V958-R968 WeakPolarHBondContact O-CA 3.39Å; V958-V969 HydrophobicContact CB-CB 4.48Å; V958-V969 PolarHBondContact N-O 2.96Å; V958-V969 PolarHBondContact O-N 3.01Å; V958-F986 HydrophobicContact CB-CE1 4.34Å; V958-F986 HydrophobicContact CG2-CD1 3.25Å; V958-F986 HydrophobicContact CG2-CE1 2.86Å; V958-F986 HydrophobicContact CG2-CG 4.25Å; V958-F986 HydrophobicContact CG2-CZ 3.62Å; V958-L993 HydrophobicContact CG1-CD2 4.15Å; V958-I995 HydrophobicContact CG2-CD1 3.97Å
959	T	64.7	Low	61.5	Low	68 Å²	68	89.3 Å²	89.3	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.8	171.4	-53.7	0	0	0	0	109.1	E966	T959-E966 HydrophobicContact CG2-CG 3.53Å; T959-E966 WeakPolarHBondContact CG2-OE1 3.46Å
960	Y	65.7	Low	63.6	Low	31 Å²	31	80.5 Å²	80.5	12%	0.122	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.5	171.1	177.4	-93.2	0	0	0	109.6	D962 E966 S967 M1007 L1014	Y960-D962 HydrophobicContact CE1-CB 3.71Å; Y960-E966 CarbonylContact O-C 3.54Å; Y960-E966 VanDerWaalsContact O-CA 3.29Å; Y960-E966 WeakPolarHBondContact O-CA 3.27Å; Y960-S967 PolarHBondContact N-O 3.05Å; Y960-S967 PolarHBondContact O-N 3.27Å; Y960-M1007 HydrophobicContact CD1-CE 3.55Å; Y960-M1007 HydrophobicContact CE1-CE 3.09Å; Y960-M1007 HydrophobicContact CE2-CE 4.15Å; Y960-M1007 HydrophobicContact CG-CE 4.23Å; Y960-M1007 VanDerWaalsContact CZ-CE 3.42Å; Y960-L1014 HydrophobicContact CD2-CD1 4.28Å; Y960-L1014 HydrophobicContact CE2-CD1 3.63Å; Y960-L1014 HydrophobicContact CE2-CG 4.19Å
961	K	63.7	Low	65.4	Low	156 Å²	156	75.6 Å²	75.6	68%	0.678	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.2	176.6	-172.6	170.4	-176.8	165.3	0	110
962	D	65.2	Low	67	Low	19 Å²	19	76.8 Å²	76.8	10%	0.102	35%	0.35	C	S	.	.			trans	-104.8	-171.7	166.1	68.8	28.9	0	0	0	111.1	Y960 F964 S965 G1009	Y960-D962 HydrophobicContact CE1-CB 3.71Å; D962-F964 PolarHBondContact O-N 3.33Å; D962-F964 WeakPolarHBondContact OD1-CA 3.33Å; D962-F964 PolarHBondContact OD1-N 2.76Å; D962-S965 PolarHBondContact N-O 2.85Å; D962-S965 PolarHBondContact OD1-N 2.81Å; D962-S965 PolarHBondContact OD1-OG 2.93Å; D962-S965 PolarHBondContact OD2-OG 2.82Å; D962-G1009 WeakPolarHBondContact OD2-CA 3.46Å
963	R	65.9	Low	68.5	Low	239 Å²	239	72.3 Å²	72.3	90%	0.902	34%	0.336	S	S	*	.	S	Bend	trans	-68.5	-13.6	179.1	-88.9	-170.3	-92	-173.1	-6.4	114.1
964	F	68.6	Low	69.1	Low	177 Å²	177	67.5 Å²	67.5	78%	0.776	32%	0.315	S	S	*	.	S	Bend	trans	-124.2	-22.7	-169	-56.7	-73.3	0	0	0	114	D962	D962-F964 PolarHBondContact O-N 3.33Å; D962-F964 WeakPolarHBondContact OD1-CA 3.33Å; D962-F964 PolarHBondContact OD1-N 2.76Å
965	S	68.4	Low	69.6	Low	26 Å²	26	72.2 Å²	72.2	18%	0.182	33%	0.332	C	S	.	.			trans	-159.4	161	-171.7	69.1	0	0	0	0	113.3	D962 G1009	D962-S965 PolarHBondContact N-O 2.85Å; D962-S965 PolarHBondContact OD1-N 2.81Å; D962-S965 PolarHBondContact OD1-OG 2.93Å; D962-S965 PolarHBondContact OD2-OG 2.82Å; S965-G1009 PolarHBondContact OG-N 2.68Å
966	E	68.3	Low	69.4	Low	99 Å²	99	69.5 Å²	69.5	46%	0.463	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.9	172.1	-169.9	173.3	136.9	0	0	108.8	T959 Y960	T959-E966 HydrophobicContact CG2-CG 3.53Å; T959-E966 WeakPolarHBondContact CG2-OE1 3.46Å; Y960-E966 CarbonylContact O-C 3.54Å; Y960-E966 VanDerWaalsContact O-CA 3.29Å; Y960-E966 WeakPolarHBondContact O-CA 3.27Å
967	S	68.6	Low	69.2	Low	2 Å²	2	72.6 Å²	72.6	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.7	176.2	-51.8	0	0	0	0	108.6	Y960 K1008	Y960-S967 PolarHBondContact N-O 3.05Å; Y960-S967 PolarHBondContact O-N 3.27Å; S967-K1008 PolarHBondContact OG-N 2.87Å
968	R	73.2	Confident	69.3	Low	124 Å²	124	73.8 Å²	73.8	47%	0.468	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	108.3	-167.5	180	-178.4	170.4	119.2	-3.8	111.2	V957 V958 E970 E1005	V957-R968 HydrophobicContact CG1-CG 4.09Å; V958-R968 CarbonylContact O-C 3.56Å; V958-R968 VanDerWaalsContact O-CA 3.32Å; V958-R968 WeakPolarHBondContact O-CA 3.39Å; R968-E970 HydrophobicContact CG-CG 4.35Å; R968-E970 IonicContact CZ-OE1 3.89Å; R968-E970 IonicContact NE-OE1 2.8Å; R968-E970 PolarHBondContact NE-OE1 2.77Å; R968-E970 IonicContact NH2-OE1 3.76Å; R968-E970 PolarHBondContact NH2-OE1 3.17Å; R968-E1005 PolarHBondContact N-OE2 3.41Å; R968-E1005 VanDerWaalsContact N-OE2 3.16Å
969	V	74.5	Confident	68.6	Low	3 Å²	3	76.1 Å²	76.1	2%	0.018	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131	177.6	-171.2	0	0	0	0	109.3	V958 L993 I995 V1003 E1005	V958-V969 HydrophobicContact CB-CB 4.48Å; V958-V969 PolarHBondContact N-O 2.96Å; V958-V969 PolarHBondContact O-N 3.01Å; V969-L993 HydrophobicContact CG2-CB 4.11Å; V969-L993 HydrophobicContact CG2-CD2 3.58Å; V969-L993 HydrophobicContact CG2-CG 3.78Å; V969-I995 HydrophobicContact CB-CG2 4.46Å; V969-I995 HydrophobicContact CG1-CB 4.02Å; V969-I995 HydrophobicContact CG1-CG2 3.33Å; V969-V1003 HydrophobicContact CG1-CG1 4.03Å; V969-E1005 HydrophobicContact CG2-CB 3.52Å; V969-E1005 HydrophobicContact CG2-CG 4.49Å; V969-E1005 VanDerWaalsContact CG2-OE2 3.29Å; V969-E1005 WeakPolarHBondContact CG2-OE2 3.29Å; V969-E1005 PolarHBondContact N-OE2 3.09Å
970	E	74.3	Confident	68.7	Low	57 Å²	57	80.2 Å²	80.2	27%	0.266	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.4	176.9	-54.5	-174.1	156	0	0	108.7	V957 R968 K972	V957-E970 HydrophobicContact CG1-CG 4.17Å; V957-E970 HydrophobicContact CG2-CB 4.49Å; V957-E970 HydrophobicContact CG2-CG 4.04Å; R968-E970 HydrophobicContact CG-CG 4.35Å; R968-E970 IonicContact CZ-OE1 3.89Å; R968-E970 IonicContact NE-OE1 2.8Å; R968-E970 PolarHBondContact NE-OE1 2.77Å; R968-E970 IonicContact NH2-OE1 3.76Å; R968-E970 PolarHBondContact NH2-OE1 3.17Å; E970-K972 WeakPolarHBondContact OE2-CE 3.19Å; E970-K972 IonicContact OE2-NZ 3.6Å; E970-K972 PolarHBondContact OE2-NZ 3.47Å
971	E	71.9	Confident	68.4	Low	11 Å²	11	85 Å²	85	5%	0.051	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.1	166	-142.9	-40.9	-85.6	0	0	109.1	C956 T973 I995 V997 V1003	C956-E971 PolarHBondContact O-N 2.68Å; E971-T973 VanDerWaalsContact OE1-CA 3.32Å; E971-T973 WeakPolarHBondContact OE1-CA 3.42Å; E971-T973 WeakPolarHBondContact OE1-CB 3.49Å; E971-T973 WeakPolarHBondContact OE1-CG2 3.27Å; E971-T973 PolarHBondContact OE1-N 3.48Å; E971-T973 PolarHBondContact OE1-OG1 3.48Å; E971-T973 PolarHBondContact OE2-N 3.3Å; E971-I995 HydrophobicContact CB-CD1 3.96Å; E971-I995 HydrophobicContact CB-CG1 4.25Å; E971-I995 HydrophobicContact CB-CG2 3.83Å; E971-I995 HydrophobicContact CG-CG2 4.13Å; E971-V997 HydrophobicContact CB-CG2 3.83Å; E971-V997 HydrophobicContact CG-CG2 4.14Å; E971-V1003 HydrophobicContact CG-CB 4.39Å; E971-V1003 HydrophobicContact CG-CG2 3.73Å; E971-V1003 VanDerWaalsContact OE2-CG2 3.32Å; E971-V1003 WeakPolarHBondContact OE2-CG2 3.32Å
972	K	76	Confident	68.7	Low	115 Å²	115	79.6 Å²	79.6	50%	0.5	39%	0.391	S	S	.	.			trans	-113.3	0.1	-171.3	-65.6	-175	-179.8	175.1	0	114	Y955 E970	Y955-K972 WeakPolarHBondContact CE1-O 3.31Å; E970-K972 WeakPolarHBondContact OE2-CE 3.19Å; E970-K972 IonicContact OE2-NZ 3.6Å; E970-K972 PolarHBondContact OE2-NZ 3.47Å
973	T	73.1	Confident	68.9	Low	100 Å²	100	82.7 Å²	82.7	61%	0.613	41%	0.411	S	S	*	.	S	Bend	trans	-79.1	-23.4	178.1	72.8	0	0	0	0	112.7	E971	E971-T973 VanDerWaalsContact OE1-CA 3.32Å; E971-T973 WeakPolarHBondContact OE1-CA 3.42Å; E971-T973 WeakPolarHBondContact OE1-CB 3.49Å; E971-T973 WeakPolarHBondContact OE1-CG2 3.27Å; E971-T973 PolarHBondContact OE1-N 3.48Å; E971-T973 PolarHBondContact OE1-OG1 3.48Å; E971-T973 PolarHBondContact OE2-N 3.3Å
974	V	70.3	Confident	69.2	Low	27 Å²	27	73 Å²	73	16%	0.164	38%	0.378	C	S	.	.	S	Bend	trans	-121.9	117.8	-178.6	-174.1	0	0	0	0	112	I976 H982 V997	V974-I976 PolarHBondContact O-N 2.85Å; V974-H982 WeakPolarHBondContact CG1-CE1 3.32Å; V974-H982 VanDerWaalsContact CG1-ND1 3.29Å; V974-H982 WeakPolarHBondContact CG1-ND1 3.33Å; V974-V997 HydrophobicContact CB-CB 4.02Å; V974-V997 HydrophobicContact CB-CG1 3.62Å; V974-V997 HydrophobicContact CG1-CG1 3.65Å; V974-V997 HydrophobicContact CG2-CB 4.08Å; V974-V997 HydrophobicContact CG2-CG1 4.01Å
975	K	73.2	Confident	69.4	Low	112 Å²	112	70.1 Å²	70.1	49%	0.487	37%	0.366	S	S	.	.			trans	-85.4	97.4	177.4	-171.5	-179.4	-178.3	178.6	0	110.6	G954 Y955 S977 D978	G954-K975 CarbonylContact O-C 3.52Å; G954-K975 WeakPolarHBondContact O-CA 3.29Å; G954-K975 WeakPolarHBondContact O-CG 3.5Å; Y955-K975 HydrophobicContact CD1-CB 4.32Å; Y955-K975 HydrophobicContact CE1-CB 3.88Å; Y955-K975 HydrophobicContact CE1-CG 4.3Å; K975-S977 WeakPolarHBondContact CE-OG 3.37Å; K975-S977 WeakPolarHBondContact CG-OG 3.26Å; K975-S977 PolarHBondContact O-N 2.99Å; K975-D978 WeakPolarHBondContact O-CB 3.27Å; K975-D978 VanDerWaalsContact O-CG 3.26Å
976	I	70.5	Confident	69.7	Low	19 Å²	19	72.9 Å²	72.9	10%	0.097	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-0.1	-176.7	55.9	159.1	0	0	0	116.6	G954 Y955 C956 V974 H982 V997 L1023	G954-I976 WeakPolarHBondContact O-CG1 3.48Å; G954-I976 PolarHBondContact O-N 3.2Å; Y955-I976 VanDerWaalsContact C-CD1 3.41Å; Y955-I976 WeakPolarHBondContact O-CD1 3.45Å; C956-I976 HydrophobicContact CB-CD1 4.35Å; C956-I976 HydrophobicContact CB-CG2 4.29Å; V974-I976 PolarHBondContact O-N 2.85Å; I976-H982 HydrophobicContact CG2-CB 4.26Å; I976-V997 HydrophobicContact CG2-CG1 4.29Å; I976-L1023 HydrophobicContact CB-CD2 3.34Å; I976-L1023 HydrophobicContact CD1-CD1 3.87Å; I976-L1023 HydrophobicContact CD1-CD2 3.1Å; I976-L1023 HydrophobicContact CD1-CG 3.33Å; I976-L1023 HydrophobicContact CG1-CD2 3.67Å; I976-L1023 HydrophobicContact CG1-CG 4.4Å; I976-L1023 HydrophobicContact CG2-CD2 3.79Å
977	S	62.5	Low	69.8	Low	66 Å²	66	74.4 Å²	74.4	46%	0.462	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	26.8	-178.4	54.1	0	0	0	0	112	G954 K975	G954-S977 VanDerWaalsContact CA-OG 3.32Å; G954-S977 WeakPolarHBondContact CA-OG 3.44Å; G954-S977 PolarHBondContact O-OG 3.25Å; K975-S977 WeakPolarHBondContact CE-OG 3.37Å; K975-S977 WeakPolarHBondContact CG-OG 3.26Å; K975-S977 PolarHBondContact O-N 2.99Å
978	D	69.8	Low	69.9	Low	71 Å²	71	78.3 Å²	78.3	38%	0.38	40%	0.396	S	S	.	.	S	Bend	trans	-95.2	-2.3	-174.7	63.9	2.4	0	0	0	113.6	K975 F980 H982	K975-D978 WeakPolarHBondContact O-CB 3.27Å; K975-D978 VanDerWaalsContact O-CG 3.26Å; D978-F980 HydrophobicContact CB-CD2 4.06Å; D978-F980 WeakPolarHBondContact O-CD2 3.38Å; D978-F980 PolarHBondContact OD1-N 2.77Å; D978-H982 VanDerWaalsContact CG-NE2 3.28Å; D978-H982 IonicContact OD1-CD2 3.29Å; D978-H982 IonicContact OD1-CE1 2.83Å; D978-H982 IonicContact OD1-NE2 3.86Å; D978-H982 PolarHBondContact OD1-NE2 3.3Å; D978-H982 IonicContact OD2-CE1 2.72Å; D978-H982 PolarHBondContact OD2-CE1 2.98Å; D978-H982 IonicContact OD2-NE2 2.62Å; D978-H982 PolarHBondContact OD2-NE2 2.8Å; D978-H982 VanDerWaalsContact OD2-NE2 3.13Å
979	G	53.3	Low	70	Confident	77 Å²	77	75.3 Å²	75.3	79%	0.794	40%	0.398	S	S	*	.	S	Bend	trans	83.8	7.7	-179.3	0	0	0	0	0	114.3
980	F	66.5	Low	69.9	Low	154 Å²	154	83.3 Å²	83.3	68%	0.675	44%	0.435	S	S	*	.	S	Bend	trans	-102.1	160.2	174.7	-63.4	-84	0	0	0	111.8	D978 H982	D978-F980 HydrophobicContact CB-CD2 4.06Å; D978-F980 WeakPolarHBondContact O-CD2 3.38Å; D978-F980 PolarHBondContact OD1-N 2.77Å; F980-H982 PolarHBondContact O-CD2 2.86Å
981	H	58.6	Low	69.9	Low	132 Å²	132	84.3 Å²	84.3	61%	0.611	44%	0.441	S	S	*	.			trans	-81.5	123.1	172.1	-79.4	93.1	0	0	0	110.4	F937	F937-H981 AromaticContact CD1-CE1 3.31Å; F937-H981 WeakPolarHBondContact CD1-CE1 3.5Å; F937-H981 AromaticContact CD1-NE2 3.3Å; F937-H981 VanDerWaalsContact CD1-NE2 3.3Å; F937-H981 WeakPolarHBondContact CD1-NE2 3.5Å; F937-H981 AromaticContact CD2-CE1 3.36Å; F937-H981 WeakPolarHBondContact CD2-CE1 3.29Å; F937-H981 AromaticContact CD2-ND1 3.43Å; F937-H981 WeakPolarHBondContact CD2-ND1 3.31Å; F937-H981 AromaticContact CE1-CD2 3.24Å; F937-H981 WeakPolarHBondContact CE1-CD2 3.49Å; F937-H981 AromaticContact CE1-CE1 3.27Å; F937-H981 WeakPolarHBondContact CE1-CE1 3.45Å; F937-H981 AromaticContact CE1-CG 3.65Å; F937-H981 AromaticContact CE1-ND1 3.67Å; F937-H981 AromaticContact CE1-NE2 2.98Å; F937-H981 WeakPolarHBondContact CE1-NE2 3.49Å; F937-H981 HydrophobicContact CE2-CB 4.02Å; F937-H981 AromaticContact CE2-CD2 3.92Å; F937-H981 AromaticContact CE2-CE1 3.34Å; F937-H981 WeakPolarHBondContact CE2-CE1 3.43Å; F937-H981 AromaticContact CE2-CG 3.4Å; F937-H981 VanDerWaalsContact CE2-CG 3.4Å; F937-H981 AromaticContact CE2-ND1 3.01Å; F937-H981 WeakPolarHBondContact CE2-ND1 3.37Å; F937-H981 AromaticContact CE2-NE2 3.89Å; F937-H981 AromaticContact CG-CE1 3.39Å; F937-H981 WeakPolarHBondContact CG-CE1 3.23Å; F937-H981 AromaticContact CG-ND1 3.96Å; F937-H981 AromaticContact CG-NE2 3.9Å; F937-H981 HydrophobicContact CZ-CB 3.74Å; F937-H981 AromaticContact CZ-CD2 3.18Å; F937-H981 WeakPolarHBondContact CZ-CD2 3.21Å; F937-H981 AromaticContact CZ-CE1 3.3Å; F937-H981 WeakPolarHBondContact CZ-CE1 3.47Å; F937-H981 AromaticContact CZ-CG 3.07Å; F937-H981 AromaticContact CZ-ND1 3.17Å; F937-H981 WeakPolarHBondContact CZ-ND1 3.23Å; F937-H981 AromaticContact CZ-NE2 3.33Å; F937-H981 VanDerWaalsContact CZ-NE2 3.33Å; F937-H981 WeakPolarHBondContact CZ-NE2 3.42Å
982	H	69.3	Low	70.2	Confident	42 Å²	42	86.8 Å²	86.8	19%	0.194	46%	0.455	C	S	.	.			trans	-108.4	139.1	173.5	-62.2	-81.2	0	0	0	111.3	V974 I976 D978 F980 V984 V997 D998	V974-H982 WeakPolarHBondContact CG1-CE1 3.32Å; V974-H982 VanDerWaalsContact CG1-ND1 3.29Å; V974-H982 WeakPolarHBondContact CG1-ND1 3.33Å; I976-H982 HydrophobicContact CG2-CB 4.26Å; D978-H982 VanDerWaalsContact CG-NE2 3.28Å; D978-H982 IonicContact OD1-CD2 3.29Å; D978-H982 IonicContact OD1-CE1 2.83Å; D978-H982 IonicContact OD1-NE2 3.86Å; D978-H982 PolarHBondContact OD1-NE2 3.3Å; D978-H982 IonicContact OD2-CE1 2.72Å; D978-H982 PolarHBondContact OD2-CE1 2.98Å; D978-H982 IonicContact OD2-NE2 2.62Å; D978-H982 PolarHBondContact OD2-NE2 2.8Å; D978-H982 VanDerWaalsContact OD2-NE2 3.13Å; F980-H982 PolarHBondContact O-CD2 2.86Å; H982-V984 PolarHBondContact O-N 3.05Å; H982-V997 HydrophobicContact CB-CG1 4.05Å; H982-D998 VanDerWaalsContact CA-OD1 3.26Å; H982-D998 WeakPolarHBondContact CA-OD1 3.32Å; H982-D998 IonicContact CE1-OD2 3.45Å; H982-D998 IonicContact CG-OD2 3.1Å; H982-D998 IonicContact ND1-OD1 2.67Å; H982-D998 IonicContact ND1-OD2 3.71Å; H982-D998 PolarHBondContact ND1-OD2 3.46Å
983	T	71	Confident	70.2	Confident	83 Å²	83	82.1 Å²	82.1	51%	0.509	44%	0.435	S	S	.	.			trans	-88.8	103.8	172.7	-58.7	0	0	0	0	109.3	K985 V997 D998	T983-K985 HydrophobicContact CG2-CG 4.36Å; T983-V997 CarbonylContact O-C 3.56Å; T983-D998 PolarHBondContact N-OD1 2.98Å; T983-D998 PolarHBondContact O-N 3.35Å
984	V	72.2	Confident	70.4	Confident	36 Å²	36	78 Å²	78	22%	0.218	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.2	173.8	-165.4	0	0	0	0	110.4	H982 F986 I995 T996 V997 L1023	H982-V984 PolarHBondContact O-N 3.05Å; V984-F986 HydrophobicContact CB-CE2 4.18Å; V984-F986 HydrophobicContact CB-CZ 3.99Å; V984-F986 HydrophobicContact CG1-CD1 4.12Å; V984-F986 HydrophobicContact CG1-CD2 4.41Å; V984-F986 HydrophobicContact CG1-CE1 3.32Å; V984-F986 HydrophobicContact CG1-CE2 3.71Å; V984-F986 HydrophobicContact CG1-CZ 3.14Å; V984-I995 HydrophobicContact CG1-CD1 4.2Å; V984-I995 HydrophobicContact CG1-CG1 3.94Å; V984-T996 CarbonylContact C-O 3.48Å; V984-T996 WeakPolarHBondContact CA-O 3.46Å; V984-V997 HydrophobicContact CG1-CG2 4.21Å; V984-V997 HydrophobicContact CG2-CG1 4.34Å; V984-V997 HydrophobicContact CG2-CG2 4.36Å; V984-L1023 HydrophobicContact CG2-CD1 4.33Å
985	K	72.9	Confident	70.9	Confident	117 Å²	117	76.7 Å²	76.7	51%	0.509	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.9	172.5	-68.4	177.4	-178.4	169.4	0	109.7	T983 I995 T996	T983-K985 HydrophobicContact CG2-CG 4.36Å; K985-I995 CarbonylContact O-C 3.58Å; K985-I995 WeakPolarHBondContact O-CA 3.33Å; K985-T996 PolarHBondContact N-O 3.45Å; K985-T996 PolarHBondContact O-N 3.18Å
986	F	74.4	Confident	71.3	Confident	84 Å²	84	72.4 Å²	72.4	37%	0.368	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126	170	-50.4	-70	0	0	0	108.8	V958 V984 S994 I995	V958-F986 HydrophobicContact CB-CE1 4.34Å; V958-F986 HydrophobicContact CG2-CD1 3.25Å; V958-F986 HydrophobicContact CG2-CE1 2.86Å; V958-F986 HydrophobicContact CG2-CG 4.25Å; V958-F986 HydrophobicContact CG2-CZ 3.62Å; V984-F986 HydrophobicContact CB-CE2 4.18Å; V984-F986 HydrophobicContact CB-CZ 3.99Å; V984-F986 HydrophobicContact CG1-CD1 4.12Å; V984-F986 HydrophobicContact CG1-CD2 4.41Å; V984-F986 HydrophobicContact CG1-CE1 3.32Å; V984-F986 HydrophobicContact CG1-CE2 3.71Å; V984-F986 HydrophobicContact CG1-CZ 3.14Å; F986-S994 CarbonylContact C-O 3.59Å; F986-S994 VanDerWaalsContact CA-O 3.28Å; F986-S994 WeakPolarHBondContact CA-O 3.12Å; F986-I995 HydrophobicContact CD1-CB 4.07Å; F986-I995 HydrophobicContact CD1-CD1 4.19Å; F986-I995 HydrophobicContact CD1-CG1 3.77Å; F986-I995 HydrophobicContact CE1-CB 4.24Å; F986-I995 HydrophobicContact CE1-CD1 3.49Å; F986-I995 VanDerWaalsContact CE1-CD1 3.49Å; F986-I995 HydrophobicContact CE1-CG1 3.49Å; F986-I995 VanDerWaalsContact CE1-CG1 3.49Å; F986-I995 HydrophobicContact CZ-CD1 4.45Å
987	Q	70.3	Confident	71.6	Confident	130 Å²	130	71.6 Å²	71.6	61%	0.607	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	135	174.8	-68.5	179.1	-24.4	0	0	110.3	S994	Q987-S994 WeakPolarHBondContact CB-OG 3.32Å; Q987-S994 PolarHBondContact N-O 3.36Å; Q987-S994 PolarHBondContact O-N 2.91Å; Q987-S994 PolarHBondContact O-OG 2.87Å
988	R	70.9	Confident	72.5	Confident	85 Å²	85	71 Å²	71	32%	0.321	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	171.5	-179.8	-175.1	170.3	-169.3	-0.8	109.3	Q990 D992 M1007 A1012	R988-Q990 PolarHBondContact NE-O 2.7Å; R988-D992 CarbonylContact C-O 3.59Å; R988-D992 WeakPolarHBondContact CA-O 3.36Å; R988-M1007 HydrophobicContact CG-SD 4.44Å; R988-A1012 PolarHBondContact NH1-O 3.42Å
989	A	74.1	Confident	72.8	Confident	61 Å²	61	73.7 Å²	73.7	50%	0.504	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	102.3	171.7	0	0	0	0	0	109.5	L991 D992	A989-L991 PolarHBondContact O-N 3.15Å; A989-D992 PolarHBondContact N-O 2.85Å; A989-D992 WeakPolarHBondContact O-CB 3.44Å; A989-D992 PolarHBondContact O-N 2.7Å
990	Q	73.8	Confident	73.7	Confident	171 Å²	171	71.6 Å²	71.6	80%	0.799	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-96.2	-173	-63	-176.9	-12.8	0	0	113.8	R988	R988-Q990 PolarHBondContact NE-O 2.7Å
991	L	73.5	Confident	74	Confident	77 Å²	77	72.4 Å²	72.4	40%	0.403	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-7.4	178.9	-68.5	173.3	0	0	0	112.4	A989 K1006 M1007 G1009	A989-L991 PolarHBondContact O-N 3.15Å; L991-K1006 WeakPolarHBondContact O-CA 3.1Å; L991-M1007 WeakPolarHBondContact O-CB 3.46Å; L991-M1007 WeakPolarHBondContact O-CG 3.29Å; L991-M1007 PolarHBondContact O-N 3.26Å; L991-G1009 WeakPolarHBondContact CD2-O 3.46Å
992	D	77.7	Confident	74.8	Confident	63 Å²	63	69 Å²	69	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	179.7	-61.5	-27.9	0	0	0	109.4	R988 A989 V1004 K1006	R988-D992 CarbonylContact C-O 3.59Å; R988-D992 WeakPolarHBondContact CA-O 3.36Å; A989-D992 PolarHBondContact N-O 2.85Å; A989-D992 WeakPolarHBondContact O-CB 3.44Å; A989-D992 PolarHBondContact O-N 2.7Å; D992-V1004 HydrophobicContact CB-CG1 3.87Å; D992-K1006 WeakPolarHBondContact OD1-CG 2.9Å
993	L	75.7	Confident	75.3	Confident	17 Å²	17	69.2 Å²	69.2	9%	0.089	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.3	171.9	-177.9	64.3	0	0	0	107.4	V958 V969 V1004 E1005 M1007	V958-L993 HydrophobicContact CG1-CD2 4.15Å; V969-L993 HydrophobicContact CG2-CB 4.11Å; V969-L993 HydrophobicContact CG2-CD2 3.58Å; V969-L993 HydrophobicContact CG2-CG 3.78Å; L993-V1004 CarbonylContact O-C 3.52Å; L993-V1004 WeakPolarHBondContact O-CA 3.45Å; L993-E1005 PolarHBondContact N-O 2.7Å; L993-E1005 PolarHBondContact O-N 3.42Å; L993-M1007 HydrophobicContact CB-CG 4.24Å
994	S	78.5	Confident	75.8	Confident	14 Å²	14	69.3 Å²	69.3	10%	0.098	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.8	-179.2	60.9	0	0	0	0	111.8	F986 Q987 V1003	F986-S994 CarbonylContact C-O 3.59Å; F986-S994 VanDerWaalsContact CA-O 3.28Å; F986-S994 WeakPolarHBondContact CA-O 3.12Å; Q987-S994 WeakPolarHBondContact CB-OG 3.32Å; Q987-S994 PolarHBondContact N-O 3.36Å; Q987-S994 PolarHBondContact O-N 2.91Å; Q987-S994 PolarHBondContact O-OG 2.87Å; S994-V1003 CarbonylContact C-O 3.56Å; S994-V1003 WeakPolarHBondContact CA-O 3.39Å
995	I	80.1	Confident	76	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.9	172.4	-173.8	171.7	0	0	0	108.6	C956 V958 V969 E971 V984 K985 F986 V997 S1002 V1003	C956-I995 HydrophobicContact CB-CD1 3.94Å; V958-I995 HydrophobicContact CG2-CD1 3.97Å; V969-I995 HydrophobicContact CB-CG2 4.46Å; V969-I995 HydrophobicContact CG1-CB 4.02Å; V969-I995 HydrophobicContact CG1-CG2 3.33Å; E971-I995 HydrophobicContact CB-CD1 3.96Å; E971-I995 HydrophobicContact CB-CG1 4.25Å; E971-I995 HydrophobicContact CB-CG2 3.83Å; E971-I995 HydrophobicContact CG-CG2 4.13Å; V984-I995 HydrophobicContact CG1-CD1 4.2Å; V984-I995 HydrophobicContact CG1-CG1 3.94Å; K985-I995 CarbonylContact O-C 3.58Å; K985-I995 WeakPolarHBondContact O-CA 3.33Å; F986-I995 HydrophobicContact CD1-CB 4.07Å; F986-I995 HydrophobicContact CD1-CD1 4.19Å; F986-I995 HydrophobicContact CD1-CG1 3.77Å; F986-I995 HydrophobicContact CE1-CB 4.24Å; F986-I995 HydrophobicContact CE1-CD1 3.49Å; F986-I995 VanDerWaalsContact CE1-CD1 3.49Å; F986-I995 HydrophobicContact CE1-CG1 3.49Å; F986-I995 VanDerWaalsContact CE1-CG1 3.49Å; F986-I995 HydrophobicContact CZ-CD1 4.45Å; I995-V997 HydrophobicContact CD1-CG2 4.48Å; I995-V997 HydrophobicContact CG1-CG2 4.41Å; I995-S1002 CarbonylContact O-C 3.51Å; I995-S1002 WeakPolarHBondContact O-CA 3.43Å; I995-V1003 HydrophobicContact CG2-CB 3.72Å; I995-V1003 HydrophobicContact CG2-CG1 4.4Å; I995-V1003 PolarHBondContact N-O 2.92Å; I995-V1003 PolarHBondContact O-N 2.76Å
996	T	80.9	Confident	76.3	Confident	22 Å²	22	72.3 Å²	72.3	14%	0.135	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126	170.4	-43.4	0	0	0	0	107.1	V984 K985 G1000 S1002	V984-T996 CarbonylContact C-O 3.48Å; V984-T996 WeakPolarHBondContact CA-O 3.46Å; K985-T996 PolarHBondContact N-O 3.45Å; K985-T996 PolarHBondContact O-N 3.18Å; T996-G1000 WeakPolarHBondContact CG2-O 3.33Å; T996-S1002 WeakPolarHBondContact OG1-CB 3.41Å; T996-S1002 PolarHBondContact OG1-OG 2.85Å
997	V	78.2	Confident	76.1	Confident	1 Å²	1	69 Å²	69	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125	172.6	-172.4	0	0	0	0	107.8	C956 E971 V974 I976 H982 T983 V984 I995 G1000	C956-V997 HydrophobicContact CB-CG2 3.98Å; E971-V997 HydrophobicContact CB-CG2 3.83Å; E971-V997 HydrophobicContact CG-CG2 4.14Å; V974-V997 HydrophobicContact CB-CB 4.02Å; V974-V997 HydrophobicContact CB-CG1 3.62Å; V974-V997 HydrophobicContact CG1-CG1 3.65Å; V974-V997 HydrophobicContact CG2-CB 4.08Å; V974-V997 HydrophobicContact CG2-CG1 4.01Å; I976-V997 HydrophobicContact CG2-CG1 4.29Å; H982-V997 HydrophobicContact CB-CG1 4.05Å; T983-V997 CarbonylContact O-C 3.56Å; V984-V997 HydrophobicContact CG1-CG2 4.21Å; V984-V997 HydrophobicContact CG2-CG1 4.34Å; V984-V997 HydrophobicContact CG2-CG2 4.36Å; I995-V997 HydrophobicContact CD1-CG2 4.48Å; I995-V997 HydrophobicContact CG1-CG2 4.41Å; V997-G1000 WeakPolarHBondContact O-CA 3.4Å; V997-G1000 PolarHBondContact O-N 2.77Å
998	D	80.2	Confident	76.1	Confident	53 Å²	53	70.2 Å²	70.2	28%	0.283	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	-136.1	-172.7	-59.2	-41.9	0	0	0	112.7	H982 T983	H982-D998 VanDerWaalsContact CA-OD1 3.26Å; H982-D998 WeakPolarHBondContact CA-OD1 3.32Å; H982-D998 IonicContact CE1-OD2 3.45Å; H982-D998 IonicContact CG-OD2 3.1Å; H982-D998 IonicContact ND1-OD1 2.67Å; H982-D998 IonicContact ND1-OD2 3.71Å; H982-D998 PolarHBondContact ND1-OD2 3.46Å; T983-D998 PolarHBondContact N-OD1 2.98Å; T983-D998 PolarHBondContact O-N 3.35Å
999	S	77.8	Confident	75.7	Confident	129 Å²	129	66.7 Å²	66.7	90%	0.902	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	19.1	171.8	58	0	0	0	0	112.6
1000	G	70.2	Confident	74.9	Confident	32 Å²	32	72.5 Å²	72.5	33%	0.33	38%	0.382	S	S	.	.	S	Bend	trans	-70.7	176.3	-179.7	0	0	0	0	0	113.9	T996 V997	T996-G1000 WeakPolarHBondContact CG2-O 3.33Å; V997-G1000 WeakPolarHBondContact O-CA 3.4Å; V997-G1000 PolarHBondContact O-N 2.77Å
1001	E	74.4	Confident	73.8	Confident	172 Å²	172	70.1 Å²	70.1	80%	0.804	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-64.4	143.6	173.2	-70.9	-171.2	159.9	0	0	110.9
1002	S	75.5	Confident	72.6	Confident	59 Å²	59	68.4 Å²	68.4	41%	0.413	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-81.9	120.1	175.9	-171.1	0	0	0	0	109.8	I995 T996	I995-S1002 CarbonylContact O-C 3.51Å; I995-S1002 WeakPolarHBondContact O-CA 3.43Å; T996-S1002 WeakPolarHBondContact OG1-CB 3.41Å; T996-S1002 PolarHBondContact OG1-OG 2.85Å
1003	V	79.8	Confident	71.1	Confident	48 Å²	48	77.3 Å²	77.3	29%	0.291	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.5	173.4	176.4	0	0	0	0	108.7	V969 E971 S994 I995	V969-V1003 HydrophobicContact CG1-CG1 4.03Å; E971-V1003 HydrophobicContact CG-CB 4.39Å; E971-V1003 HydrophobicContact CG-CG2 3.73Å; E971-V1003 VanDerWaalsContact OE2-CG2 3.32Å; E971-V1003 WeakPolarHBondContact OE2-CG2 3.32Å; S994-V1003 CarbonylContact C-O 3.56Å; S994-V1003 WeakPolarHBondContact CA-O 3.39Å; I995-V1003 HydrophobicContact CG2-CB 3.72Å; I995-V1003 HydrophobicContact CG2-CG1 4.4Å; I995-V1003 PolarHBondContact N-O 2.92Å; I995-V1003 PolarHBondContact O-N 2.76Å
1004	V	79.9	Confident	69.4	Low	84 Å²	84	80.4 Å²	80.4	51%	0.509	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.8	-175.1	-170.7	0	0	0	0	110.4	D992 L993	D992-V1004 HydrophobicContact CB-CG1 3.87Å; L993-V1004 CarbonylContact O-C 3.52Å; L993-V1004 WeakPolarHBondContact O-CA 3.45Å
1005	E	78.1	Confident	67.3	Low	61 Å²	61	87.4 Å²	87.4	29%	0.285	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.5	172.7	-160	-167.4	-177	0	0	110.8	R968 V969 L993	R968-E1005 PolarHBondContact N-OE2 3.41Å; R968-E1005 VanDerWaalsContact N-OE2 3.16Å; V969-E1005 HydrophobicContact CG2-CB 3.52Å; V969-E1005 HydrophobicContact CG2-CG 4.49Å; V969-E1005 VanDerWaalsContact CG2-OE2 3.29Å; V969-E1005 WeakPolarHBondContact CG2-OE2 3.29Å; V969-E1005 PolarHBondContact N-OE2 3.09Å; L993-E1005 PolarHBondContact N-O 2.7Å; L993-E1005 PolarHBondContact O-N 3.42Å
1006	K	78.7	Confident	65.1	Low	155 Å²	155	93 Å²	93	67%	0.674	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.9	174.2	-78.4	-172.9	175.6	-176.1	0	111.5	L991 D992	L991-K1006 WeakPolarHBondContact O-CA 3.1Å; D992-K1006 WeakPolarHBondContact OD1-CG 2.9Å
1007	M	70.1	Confident	62.7	Low	14 Å²	14	95 Å²	95	7%	0.069	51%	0.51	C	S	.	.			trans	-62.7	136.5	173.2	-67	177.9	52.1	0	0	111.5	Y960 R988 L991 L993 G1009	Y960-M1007 HydrophobicContact CD1-CE 3.55Å; Y960-M1007 HydrophobicContact CE1-CE 3.09Å; Y960-M1007 HydrophobicContact CE2-CE 4.15Å; Y960-M1007 HydrophobicContact CG-CE 4.23Å; Y960-M1007 VanDerWaalsContact CZ-CE 3.42Å; R988-M1007 HydrophobicContact CG-SD 4.44Å; L991-M1007 WeakPolarHBondContact O-CB 3.46Å; L991-M1007 WeakPolarHBondContact O-CG 3.29Å; L991-M1007 PolarHBondContact O-N 3.26Å; L993-M1007 HydrophobicContact CB-CG 4.24Å; M1007-G1009 VanDerWaalsContact C-N 3.32Å; M1007-G1009 PolarHBondContact O-N 3.06Å
1008	K	69.6	Low	60.5	Low	156 Å²	156	101.7 Å²	101.7	68%	0.678	55%	0.553	S	S	*	*	S	Bend	trans	-81.7	0.5	-178.9	-67.1	177.6	-178.3	169.3	0	114.9	S967	S967-K1008 PolarHBondContact OG-N 2.87Å
1009	G	62.9	Low	57.9	Low	12 Å²	12	103.2 Å²	103.2	12%	0.124	57%	0.568	C	S	.	*	S	Bend	trans	-130.7	169.4	-171.1	0	0	0	0	0	116.4	D962 S965 L991 M1007	D962-G1009 WeakPolarHBondContact OD2-CA 3.46Å; S965-G1009 PolarHBondContact OG-N 2.68Å; L991-G1009 WeakPolarHBondContact CD2-O 3.46Å; M1007-G1009 VanDerWaalsContact C-N 3.32Å; M1007-G1009 PolarHBondContact O-N 3.06Å
1010	K	57.8	Low	55.5	Low	183 Å²	183	102 Å²	102	80%	0.796	56%	0.56	S	S	*	*			trans	-85.1	145.4	-178.2	-76.9	-175.4	177.2	179.6	0	112.4	A1012	K1010-A1012 PolarHBondContact O-N 2.87Å; K1010-A1012 VanDerWaalsContact O-N 3.14Å
1011	V	50.7	Low	53.3	Low	121 Å²	121	105 Å²	105	73%	0.733	58%	0.575	S	S	*	*			trans	-43.8	107.9	-174	-174.9	0	0	0	0	113.9
1012	A	48.7	Very low	51	Low	41 Å²	41	100.7 Å²	100.7	34%	0.339	56%	0.557	S	S	.	*			trans	-117.7	145.3	168.1	0	0	0	0	0	111.6	R988 K1010 L1014	R988-A1012 PolarHBondContact NH1-O 3.42Å; K1010-A1012 PolarHBondContact O-N 2.87Å; K1010-A1012 VanDerWaalsContact O-N 3.14Å; A1012-L1014 PolarHBondContact O-N 3.2Å
1013	R	45.5	Very low	48.8	Very low	249 Å²	249	100.8 Å²	100.8	94%	0.94	55%	0.552	S	S	*	*			trans	-55.6	129.3	174.4	-82.5	-178	-179.7	167.7	0	110
1014	L	39.6	Very low	46.4	Very low	83 Å²	83	105.9 Å²	105.9	44%	0.435	60%	0.599	S	S	.	*			trans	-99.3	100.6	-176.3	-138.2	146.1	0	0	0	108.4	Y960 A1012 V1016	Y960-L1014 HydrophobicContact CD2-CD1 4.28Å; Y960-L1014 HydrophobicContact CE2-CD1 3.63Å; Y960-L1014 HydrophobicContact CE2-CG 4.19Å; A1012-L1014 PolarHBondContact O-N 3.2Å; L1014-V1016 HydrophobicContact CD2-CG2 3.34Å; L1014-V1016 PolarHBondContact O-N 2.87Å
1015	N	35.5	Very low	44.8	Very low	160 Å²	160	107 Å²	107	86%	0.856	60%	0.604	S	S	*	*			trans	-83.3	99.4	165.7	-81.5	-11.2	0	0	0	107.2	A1017	N1015-A1017 PolarHBondContact O-N 3.29Å; N1015-A1017 VanDerWaalsContact O-N 3.15Å
1016	V	32.8	Very low	43	Very low	119 Å²	119	109.4 Å²	109.4	72%	0.721	62%	0.621	S	S	*	*			trans	-78.9	92.9	172.6	-174.9	0	0	0	0	107.6	L1014	L1014-V1016 HydrophobicContact CD2-CG2 3.34Å; L1014-V1016 PolarHBondContact O-N 2.87Å
1017	A	31.1	Very low	41	Very low	64 Å²	64	106.9 Å²	106.9	53%	0.529	62%	0.618	S	S	.	*			trans	-79.7	133	157	0	0	0	0	0	107	N1015 S1019	N1015-A1017 PolarHBondContact O-N 3.29Å; N1015-A1017 VanDerWaalsContact O-N 3.15Å; A1017-S1019 PolarHBondContact O-N 3.05Å
1018	P	30.9	Very low	39.3	Very low	140 Å²	140	112.4 Å²	112.4	91%	0.909	65%	0.65	S	S	*	*			trans	-73.5	72.4	171	31.3	-31.1	0	0	0	107.9
1019	S	27.1	Very low	37.4	Very low	85 Å²	85	109.6 Å²	109.6	59%	0.594	65%	0.648	S	S	*	*			trans	-121	119.2	168.7	50.5	0	0	0	0	107.1	A1017	A1017-S1019 PolarHBondContact O-N 3.05Å
1020	S	25.8	Very low	35.7	Very low	105 Å²	105	116.1 Å²	116.1	73%	0.734	68%	0.683	S	S	*	*			trans	68.6	78	175.5	52.8	0	0	0	0	118
1021	C	25.7	Very low	34.2	Very low	94 Å²	94	111.4 Å²	111.4	64%	0.635	68%	0.675	S	S	*	*			trans	-114.8	104	135.3	-91.8	0	0	0	0	107.4	L1023	C1021-L1023 PolarHBondContact O-N 2.77Å
1022	L	26.4	Very low	32.9	Very low	82 Å²	82	110.6 Å²	110.6	43%	0.429	67%	0.671	S	S	.	*			trans	-74.7	106.6	164.9	-97.7	133.7	0	0	0	107	M944 L950	M944-L1022 HydrophobicContact CE-CD1 4.1Å; M944-L1022 HydrophobicContact CE-CD2 4.2Å; M944-L1022 HydrophobicContact CE-CG 3.84Å; M944-L1022 HydrophobicContact SD-CD2 4.32Å; L950-L1022 HydrophobicContact CD2-CD2 3.73Å; L950-L1022 HydrophobicContact CG-CD2 4.31Å
1023	L	29.3	Very low	31.6	Very low	61 Å²	61	116.4 Å²	116.4	32%	0.319	70%	0.699	S	S	.	*			trans	-155.7	119.5	174.8	-116.7	151.1	0	0	0	102.9	C956 I976 V984 C1021	C956-L1023 HydrophobicContact CB-CD1 4.49Å; I976-L1023 HydrophobicContact CB-CD2 3.34Å; I976-L1023 HydrophobicContact CD1-CD1 3.87Å; I976-L1023 HydrophobicContact CD1-CD2 3.1Å; I976-L1023 HydrophobicContact CD1-CG 3.33Å; I976-L1023 HydrophobicContact CG1-CD2 3.67Å; I976-L1023 HydrophobicContact CG1-CG 4.4Å; I976-L1023 HydrophobicContact CG2-CD2 3.79Å; V984-L1023 HydrophobicContact CG2-CD1 4.33Å; C1021-L1023 PolarHBondContact O-N 2.77Å
1024	A	29.1	Very low	30.3	Very low	155 Å²	155	104.4 Å²	104.4	100%	1.281	68%	0.677	S	S	*	*			trans	-46.2	0	-155	0	0	0	0	0	115.7

Retrieved 1,024 of 1,024 residues in 675.5 ms (Link to these results)

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