A0A077Z7P4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7P4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 834 aa.

						>A0A077Z7P4_TRITR|A0A077Z7P4
MMVKSACFNAICDVIYKCLKSKAEIKVSYKACRHIWLKHGSYENAKFYFASGQGKGRIPSHYFDHCILIQAIIETLHREIELQQQKISRFTKTTSFPKRMLRLSDLHHCPHMTKWHLLKYSRKCDALADRLAFNKPLGRLLYLKQFLFPIGRAGLITPNSEYGKEVNCCGVVVDVHKGLVTSYPAESFNNFKAQSGFSKEKKTFKQKLANWQGGRVCAYGILGRCQRLERWLVDQAPGWAVFLKGINGAKDGATFYPLGPVPWCSCRARARSDVVNLAARTLAIRFFVQTSGRGANVSAVIVGEPPLLHNRQATGQLVSQSKKAIMKKRVVLFLAIAVLAVVGFSDQSRQPYLRFPFLKRLLNAKEHSSDHERDSPLTGDQRIGVTFSQQETIQRLLETRCDRDGIEIILDHNNRIGLLSMAFEKAMSKSALILESVNASNMEECQDVDFSRGVDSLRLAFAYNNTCVTRKNVPTDRNDSSVNGSNVTYKMKVALQPHNNDSVLDQRYSFVLHCVLPDKRKDPRVEHDIYLYKSKTERTPVSRMQEAELGTTMFIQGKARSSWYSGSNIHSYPMNCWINQESGGFEQRIYFIKHGCPASNTRGYGLCRVHHFNDDSPKIGLELNRNLIPYFSEQSNQSLTISCEFFPCSLKLTEFLWLIPKCPPFHACTGETLANSSRIAVTMTKVAVVQSVRLALVPPRKTKGSDDEDCSVQCLKTDQLDQPNGTGEGSGVNGYVAVGVMLVSFFAGMTVAAILWLRRSRQSEDRFHDFFEFTMILSIPKVIEQVQKRELDSILNDIQADYPKDQTTANFSKPDLKKPCDAQQAQESLLPVLL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	26.9	Very low	44.9	Very low	236 Å²	236	99.7 Å²	99.7	100%	1.163	55%	0.551	S	S	*	*				0	135	0	-76.4	177	163.9	0	0	110	V3	M1-V3 PolarHBondContact O-N 3.18Å
2	M	26.3	Very low	46.9	Very low	200 Å²	200	91.4 Å²	91.4	99%	0.985	51%	0.505	S	S	*	.			trans	-83.5	104.4	166.8	-75.4	-175.7	172.1	0	0	109.5
3	V	29.6	Very low	48.7	Very low	87 Å²	87	89.4 Å²	89.4	53%	0.527	49%	0.493	S	S	.	.			trans	-92.3	133.4	172.1	-176.1	0	0	0	0	109.3	M1 S5	M1-V3 PolarHBondContact O-N 3.18Å; V3-S5 PolarHBondContact O-N 2.91Å
4	K	32.6	Very low	49.7	Very low	179 Å²	179	85.2 Å²	85.2	78%	0.778	47%	0.471	S	S	*	.			trans	-48.7	126.3	-165.6	-62.6	176.6	179.4	178.8	0	113	A6 C7	K4-A6 PolarHBondContact O-N 3.15Å; K4-A6 VanDerWaalsContact O-N 3.1Å; K4-C7 PolarHBondContact O-N 3.19Å
5	S	42.3	Very low	50.8	Low	88 Å²	88	80.5 Å²	80.5	62%	0.615	44%	0.444	S	S	*	.	H	α-helix	trans	-58.3	-25.7	-172.1	51.9	0	0	0	0	115.5	V3 C7 F8 N9	V3-S5 PolarHBondContact O-N 2.91Å; S5-C7 VanDerWaalsContact C-N 3.34Å; S5-C7 PolarHBondContact O-N 3.13Å; S5-F8 WeakPolarHBondContact O-CB 3.15Å; S5-F8 PolarHBondContact O-N 3.34Å; S5-F8 VanDerWaalsContact O-N 3.08Å; S5-N9 PolarHBondContact O-N 2.67Å
6	A	38	Very low	52.2	Low	72 Å²	72	80.4 Å²	80.4	60%	0.595	44%	0.436	S	S	*	.	H	α-helix	trans	-54.9	-44.5	-178.8	0	0	0	0	0	113.3	K4 F8 A10	K4-A6 PolarHBondContact O-N 3.15Å; K4-A6 VanDerWaalsContact O-N 3.1Å; A6-F8 VanDerWaalsContact C-N 3.3Å; A6-F8 PolarHBondContact O-N 2.86Å; A6-A10 WeakPolarHBondContact O-CB 3.43Å; A6-A10 PolarHBondContact O-N 3.12Å
7	C	54.7	Low	53.2	Low	56 Å²	56	83.6 Å²	83.6	38%	0.378	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-33.3	178.8	-69.7	0	0	0	0	112.4	K4 S5 I11 F49	K4-C7 PolarHBondContact O-N 3.19Å; S5-C7 VanDerWaalsContact C-N 3.34Å; S5-C7 PolarHBondContact O-N 3.13Å; C7-I11 WeakPolarHBondContact O-CG1 3.41Å; C7-I11 PolarHBondContact O-N 2.97Å; C7-F49 HydrophobicContact CB-CD2 4Å; C7-F49 HydrophobicContact CB-CE2 3.62Å; C7-F49 HydrophobicContact CB-CZ 4.22Å; C7-F49 WeakPolarHBondContact O-CE2 3.15Å; C7-F49 WeakPolarHBondContact O-CZ 3.38Å
8	F	55.6	Low	53.5	Low	50 Å²	50	81.1 Å²	81.1	22%	0.219	44%	0.435	C	S	.	.	H	α-helix	trans	-71.4	-46.6	-176.7	-175.1	-89.6	0	0	0	112.1	S5 A6 I11 C12 R33 W36 L37	S5-F8 WeakPolarHBondContact O-CB 3.15Å; S5-F8 PolarHBondContact O-N 3.34Å; S5-F8 VanDerWaalsContact O-N 3.08Å; A6-F8 VanDerWaalsContact C-N 3.3Å; A6-F8 PolarHBondContact O-N 2.86Å; F8-I11 PolarHBondContact O-N 2.99Å; F8-C12 PolarHBondContact O-N 2.95Å; F8-C12 PolarHBondContact O-SG 3.17Å; F8-R33 HydrophobicContact CE1-CG 3.7Å; F8-R33 HydrophobicContact CZ-CG 3.64Å; F8-W36 AromaticContact CE2-CD1 3.66Å; F8-L37 HydrophobicContact CE2-CD2 3.72Å; F8-L37 HydrophobicContact CE2-CG 4.1Å; F8-L37 HydrophobicContact CZ-CD1 4.23Å; F8-L37 HydrophobicContact CZ-CD2 3.99Å; F8-L37 HydrophobicContact CZ-CG 3.96Å
9	N	64.7	Low	53.9	Low	79 Å²	79	77.6 Å²	77.6	42%	0.422	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-41.9	177	-69.2	-2.4	0	0	0	110.7	S5 I11 C12 D13 Y29	S5-N9 PolarHBondContact O-N 2.67Å; N9-I11 VanDerWaalsContact C-N 3.31Å; N9-I11 PolarHBondContact O-N 3.31Å; N9-C12 CarbonylContact O-C 3.54Å; N9-C12 PolarHBondContact O-N 3.47Å; N9-C12 VanDerWaalsContact O-N 3.08Å; N9-D13 WeakPolarHBondContact O-CB 3.45Å; N9-D13 VanDerWaalsContact O-CG 3.26Å; N9-D13 PolarHBondContact O-N 3.46Å; N9-Y29 PolarHBondContact O-OH 3.07Å
10	A	62.3	Low	54.6	Low	37 Å²	37	80.2 Å²	80.2	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-57.3	-39	178	0	0	0	0	0	113.5	A6 V14 F49	A6-A10 WeakPolarHBondContact O-CB 3.43Å; A6-A10 PolarHBondContact O-N 3.12Å; A10-V14 WeakPolarHBondContact O-CG2 3.43Å; A10-V14 PolarHBondContact O-N 3.01Å; A10-V14 VanDerWaalsContact O-N 3.1Å; A10-F49 HydrophobicContact CB-CE1 4.23Å; A10-F49 HydrophobicContact CB-CZ 3.94Å
11	I	60.7	Low	54.9	Low	13 Å²	13	80.7 Å²	80.7	7%	0.067	43%	0.433	C	S	.	.	H	α-helix	trans	-69.3	-45	173.9	-60.8	172.3	0	0	0	111.1	C7 F8 N9 D13 V14 I15 W36 A45 F49	C7-I11 WeakPolarHBondContact O-CG1 3.41Å; C7-I11 PolarHBondContact O-N 2.97Å; F8-I11 PolarHBondContact O-N 2.99Å; N9-I11 VanDerWaalsContact C-N 3.31Å; N9-I11 PolarHBondContact O-N 3.31Å; I11-D13 PolarHBondContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 3.21Å; I11-I15 HydrophobicContact CG2-CD1 3.77Å; I11-I15 HydrophobicContact CG2-CG1 4.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.1Å; I11-W36 HydrophobicContact CB-CD2 4.45Å; I11-W36 HydrophobicContact CD1-CD2 4.46Å; I11-W36 HydrophobicContact CD1-CH2 3.94Å; I11-W36 HydrophobicContact CD1-CZ2 3.39Å; I11-W36 HydrophobicContact CG2-CD2 3.55Å; I11-W36 HydrophobicContact CG2-CE3 3.57Å; I11-W36 HydrophobicContact CG2-CG 4.1Å; I11-W36 HydrophobicContact CG2-CH2 4.28Å; I11-W36 HydrophobicContact CG2-CZ2 4.24Å; I11-W36 HydrophobicContact CG2-CZ3 3.94Å; I11-A45 HydrophobicContact CD1-CB 3.63Å; I11-F49 HydrophobicContact CD1-CE2 3.8Å; I11-F49 HydrophobicContact CD1-CZ 4.36Å; I11-F49 HydrophobicContact CG1-CE2 3.73Å; I11-F49 HydrophobicContact CG1-CZ 3.77Å
12	C	69.4	Low	56.1	Low	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-37.9	177.7	-65.7	0	0	0	0	111.7	F8 N9 Y16 Y29	F8-C12 PolarHBondContact O-N 2.95Å; F8-C12 PolarHBondContact O-SG 3.17Å; N9-C12 CarbonylContact O-C 3.54Å; N9-C12 PolarHBondContact O-N 3.47Å; N9-C12 VanDerWaalsContact O-N 3.08Å; C12-Y16 WeakPolarHBondContact O-CB 3.42Å; C12-Y16 PolarHBondContact O-N 3.34Å; C12-Y29 HydrophobicContact CB-CE1 4.07Å; C12-Y29 HydrophobicContact CB-CE2 3.92Å; C12-Y29 WeakPolarHBondContact CB-OH 3.38Å
13	D	69.5	Low	57.2	Low	65 Å²	65	69.2 Å²	69.2	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-42.2	175.3	-72.9	7.7	0	0	0	112.3	N9 I11 Y16 K17 Y29	N9-D13 WeakPolarHBondContact O-CB 3.45Å; N9-D13 VanDerWaalsContact O-CG 3.26Å; N9-D13 PolarHBondContact O-N 3.46Å; I11-D13 PolarHBondContact O-N 3.12Å; D13-Y16 PolarHBondContact O-N 3Å; D13-K17 VanDerWaalsContact O-CB 3.24Å; D13-K17 WeakPolarHBondContact O-CB 3.32Å; D13-K17 VanDerWaalsContact O-CG 3.23Å; D13-K17 WeakPolarHBondContact O-CG 3.38Å; D13-K17 PolarHBondContact O-N 3.33Å; D13-Y29 WeakPolarHBondContact OD1-CE2 3.49Å; D13-Y29 VanDerWaalsContact OD1-CZ 3.26Å; D13-Y29 PolarHBondContact OD1-OH 3.29Å
14	V	63	Low	58.2	Low	31 Å²	31	70.3 Å²	70.3	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-72.8	-36.1	178.4	178.4	0	0	0	0	111.6	A10 I11 C18 I58	A10-V14 WeakPolarHBondContact O-CG2 3.43Å; A10-V14 PolarHBondContact O-N 3.01Å; A10-V14 VanDerWaalsContact O-N 3.1Å; I11-V14 PolarHBondContact O-N 3.21Å; V14-C18 WeakPolarHBondContact O-CB 3.38Å; V14-C18 PolarHBondContact O-N 2.93Å; V14-C18 PolarHBondContact O-SG 2.66Å; V14-I58 HydrophobicContact CB-CD1 3.92Å; V14-I58 HydrophobicContact CG1-CD1 3.48Å; V14-I58 VanDerWaalsContact CG1-CD1 3.48Å; V14-I58 HydrophobicContact CG1-CG1 3.83Å
15	I	66.2	Low	59.2	Low	14 Å²	14	64.1 Å²	64.1	7%	0.072	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-51.3	170.4	-68.3	170.2	0	0	0	109.6	I11 K17 C18 L19 C32 W36	I11-I15 HydrophobicContact CG2-CD1 3.77Å; I11-I15 HydrophobicContact CG2-CG1 4.29Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.1Å; I15-K17 PolarHBondContact O-N 3.07Å; I15-C18 PolarHBondContact O-N 2.76Å; I15-L19 HydrophobicContact CG2-CD1 3.8Å; I15-L19 HydrophobicContact CG2-CG 4.44Å; I15-L19 VanDerWaalsContact O-CG 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 3.34Å; I15-C32 HydrophobicContact CG2-CB 4.04Å; I15-W36 HydrophobicContact CD1-CB 4Å; I15-W36 HydrophobicContact CD1-CD2 4.4Å; I15-W36 HydrophobicContact CD1-CE3 3.92Å; I15-W36 HydrophobicContact CD1-CG 4.44Å
16	Y	73.6	Confident	60.1	Low	80 Å²	80	69.8 Å²	69.8	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-45.2	177.8	177.3	-100.7	0	0	0	112.1	C12 D13 L19 K20 V27 Y29	C12-Y16 WeakPolarHBondContact O-CB 3.42Å; C12-Y16 PolarHBondContact O-N 3.34Å; D13-Y16 PolarHBondContact O-N 3Å; Y16-L19 PolarHBondContact O-N 3.03Å; Y16-K20 HydrophobicContact CE1-CD 3.87Å; Y16-K20 WeakPolarHBondContact O-CB 3.46Å; Y16-K20 PolarHBondContact O-N 2.85Å; Y16-V27 WeakPolarHBondContact CE2-O 3.39Å; Y16-Y29 HydrophobicContact CG-CD2 4.36Å
17	K	68.6	Low	61.3	Low	135 Å²	135	67 Å²	67	59%	0.587	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-49.1	175.1	-78.6	172.5	177.8	177.3	0	111.5	D13 I15 L19 K20 S21	D13-K17 VanDerWaalsContact O-CB 3.24Å; D13-K17 WeakPolarHBondContact O-CB 3.32Å; D13-K17 VanDerWaalsContact O-CG 3.23Å; D13-K17 WeakPolarHBondContact O-CG 3.38Å; D13-K17 PolarHBondContact O-N 3.33Å; I15-K17 PolarHBondContact O-N 3.07Å; K17-L19 PolarHBondContact O-N 2.86Å; K17-K20 PolarHBondContact O-N 2.97Å; K17-S21 WeakPolarHBondContact O-CB 3.31Å; K17-S21 PolarHBondContact O-N 2.81Å; K17-S21 PolarHBondContact O-OG 3.11Å
18	C	58.7	Low	62.3	Low	38 Å²	38	67 Å²	67	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-42.9	179.5	-71.5	0	0	0	0	112.4	V14 I15 K22 A23	V14-C18 WeakPolarHBondContact O-CB 3.38Å; V14-C18 PolarHBondContact O-N 2.93Å; V14-C18 PolarHBondContact O-SG 2.66Å; I15-C18 PolarHBondContact O-N 2.76Å; C18-K22 WeakPolarHBondContact O-CB 3.28Å; C18-K22 PolarHBondContact O-N 2.72Å; C18-A23 PolarHBondContact O-N 2.78Å
19	L	61.8	Low	63.1	Low	14 Å²	14	68.6 Å²	68.6	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-69.6	-37.4	179.6	-63.5	177.5	0	0	0	111.9	I15 Y16 K17 A23 E24 I25 V27 I72	I15-L19 HydrophobicContact CG2-CD1 3.8Å; I15-L19 HydrophobicContact CG2-CG 4.44Å; I15-L19 VanDerWaalsContact O-CG 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 3.34Å; Y16-L19 PolarHBondContact O-N 3.03Å; K17-L19 PolarHBondContact O-N 2.86Å; L19-A23 CarbonylContact O-C 3.6Å; L19-E24 PolarHBondContact O-N 2.91Å; L19-I25 PolarHBondContact O-N 2.69Å; L19-V27 HydrophobicContact CB-CG2 3.76Å; L19-V27 HydrophobicContact CD1-CG2 3.69Å; L19-V27 HydrophobicContact CG-CG2 4.37Å; L19-I72 HydrophobicContact CD1-CD1 3.72Å; L19-I72 HydrophobicContact CD1-CG1 4.28Å; L19-I72 HydrophobicContact CD2-CD1 3.46Å; L19-I72 VanDerWaalsContact CD2-CD1 3.46Å; L19-I72 HydrophobicContact CG-CD1 4.25Å
20	K	68.2	Low	63.3	Low	129 Å²	129	73.2 Å²	73.2	56%	0.561	37%	0.366	S	S	*	.	H	α-helix	trans	-72.5	-38	176.1	-172.7	177	-178.8	179.7	0	114	Y16 K17	Y16-K20 HydrophobicContact CE1-CD 3.87Å; Y16-K20 WeakPolarHBondContact O-CB 3.46Å; Y16-K20 PolarHBondContact O-N 2.85Å; K17-K20 PolarHBondContact O-N 2.97Å
21	S	59.3	Low	63.3	Low	91 Å²	91	71.9 Å²	71.9	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-107.8	-16.3	-170.1	76.6	0	0	0	0	116.3	K17	K17-S21 WeakPolarHBondContact O-CB 3.31Å; K17-S21 PolarHBondContact O-N 2.81Å; K17-S21 PolarHBondContact O-OG 3.11Å
22	K	52.5	Low	63.5	Low	145 Å²	145	71.3 Å²	71.3	63%	0.63	35%	0.352	S	S	*	.	H	α-helix	trans	-114.9	-22.2	177.3	-60.8	-178.3	177.7	174.4	0	114.4	C18	C18-K22 WeakPolarHBondContact O-CB 3.28Å; C18-K22 PolarHBondContact O-N 2.72Å
23	A	48.9	Very low	63.4	Low	50 Å²	50	77.7 Å²	77.7	41%	0.413	38%	0.376	S	S	.	.	S	Bend	trans	-120.2	-3.2	-176.9	0	0	0	0	0	113.4	C18 L19 I25	C18-A23 PolarHBondContact O-N 2.78Å; L19-A23 CarbonylContact O-C 3.6Å; A23-I25 HydrophobicContact CB-CD1 4.07Å; A23-I25 HydrophobicContact CB-CG1 3.86Å; A23-I25 VanDerWaalsContact O-CG1 3.28Å; A23-I25 WeakPolarHBondContact O-CG1 3.48Å; A23-I25 PolarHBondContact O-N 2.81Å
24	E	51.1	Low	63	Low	110 Å²	110	79 Å²	79	51%	0.514	38%	0.38	S	S	.	.			trans	59.2	14.2	179.8	-57.9	172.6	133.9	0	0	114	L19 K26 C109	L19-E24 PolarHBondContact O-N 2.91Å; E24-K26 PolarHBondContact O-N 3.07Å; E24-C109 PolarHBondContact OE2-SG 3.22Å
25	I	53.9	Low	62.9	Low	49 Å²	49	77.6 Å²	77.6	25%	0.251	37%	0.371	S	S	.	.			trans	-83.9	115.3	-175.8	-51.3	-175.5	0	0	0	110.7	L19 A23 V27 I72 L76	L19-I25 PolarHBondContact O-N 2.69Å; A23-I25 HydrophobicContact CB-CD1 4.07Å; A23-I25 HydrophobicContact CB-CG1 3.86Å; A23-I25 VanDerWaalsContact O-CG1 3.28Å; A23-I25 WeakPolarHBondContact O-CG1 3.48Å; A23-I25 PolarHBondContact O-N 2.81Å; I25-V27 HydrophobicContact CG2-CG1 4.1Å; I25-V27 HydrophobicContact CG2-CG2 4.43Å; I25-V27 PolarHBondContact O-N 2.82Å; I25-I72 HydrophobicContact CD1-CG2 3.94Å; I25-I72 HydrophobicContact CG2-CG2 4.46Å; I25-L76 HydrophobicContact CG2-CD1 4.16Å
26	K	61.5	Low	62.7	Low	208 Å²	208	78.6 Å²	78.6	90%	0.904	37%	0.374	S	S	*	.			trans	-76.4	83.3	170.1	-69	178.4	-178.7	171.3	0	111.3	E24	E24-K26 PolarHBondContact O-N 3.07Å
27	V	63.8	Low	62	Low	12 Å²	12	80.2 Å²	80.2	7%	0.073	39%	0.388	C	S	.	.			trans	-96.6	146.6	169	-92.9	0	0	0	0	112.1	Y16 L19 I25 A31	Y16-V27 WeakPolarHBondContact CE2-O 3.39Å; L19-V27 HydrophobicContact CB-CG2 3.76Å; L19-V27 HydrophobicContact CD1-CG2 3.69Å; L19-V27 HydrophobicContact CG-CG2 4.37Å; I25-V27 HydrophobicContact CG2-CG1 4.1Å; I25-V27 HydrophobicContact CG2-CG2 4.43Å; I25-V27 PolarHBondContact O-N 2.82Å; V27-A31 HydrophobicContact CB-CB 4.42Å; V27-A31 HydrophobicContact CG1-CB 4.31Å
28	S	75.2	Confident	61.5	Low	57 Å²	57	78.9 Å²	78.9	40%	0.399	38%	0.382	S	S	.	.			trans	-72.9	151.2	171.7	71.9	0	0	0	0	111.4	K30 A31 C32	S28-K30 PolarHBondContact O-N 2.92Å; S28-A31 WeakPolarHBondContact O-CA 3.38Å; S28-A31 WeakPolarHBondContact O-CB 3.28Å; S28-A31 PolarHBondContact O-N 3.13Å; S28-A31 WeakPolarHBondContact OG-CB 3.43Å; S28-A31 PolarHBondContact OG-N 2.9Å; S28-A31 VanDerWaalsContact OG-N 3.08Å; S28-C32 PolarHBondContact O-N 2.82Å
29	Y	71.9	Confident	61.4	Low	84 Å²	84	79.9 Å²	79.9	33%	0.329	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-30.7	174.1	-160.6	-100.9	0	0	0	112.1	N9 C12 D13 Y16 C32 R33	N9-Y29 PolarHBondContact O-OH 3.07Å; C12-Y29 HydrophobicContact CB-CE1 4.07Å; C12-Y29 HydrophobicContact CB-CE2 3.92Å; C12-Y29 WeakPolarHBondContact CB-OH 3.38Å; D13-Y29 WeakPolarHBondContact OD1-CE2 3.49Å; D13-Y29 VanDerWaalsContact OD1-CZ 3.26Å; D13-Y29 PolarHBondContact OD1-OH 3.29Å; Y16-Y29 HydrophobicContact CG-CD2 4.36Å; Y29-C32 PolarHBondContact O-N 3.19Å; Y29-R33 VanDerWaalsContact O-CB 3.29Å; Y29-R33 WeakPolarHBondContact O-CB 3.23Å; Y29-R33 PolarHBondContact O-N 3.05Å
30	K	69.2	Low	61	Low	176 Å²	176	80.5 Å²	80.5	77%	0.765	39%	0.393	S	S	*	.	H	α-helix	trans	-64.7	-37.6	172.8	-168.3	-179.2	179.3	-176.9	0	112.2	S28 H34	S28-K30 PolarHBondContact O-N 2.92Å; K30-H34 WeakPolarHBondContact O-CB 3.44Å; K30-H34 PolarHBondContact O-N 3.17Å
31	A	62.3	Low	60.5	Low	9 Å²	9	76.3 Å²	76.3	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-69.2	-45.9	173	0	0	0	0	0	111.5	V27 S28 R33 H34 I35 T75	V27-A31 HydrophobicContact CB-CB 4.42Å; V27-A31 HydrophobicContact CG1-CB 4.31Å; S28-A31 WeakPolarHBondContact O-CA 3.38Å; S28-A31 WeakPolarHBondContact O-CB 3.28Å; S28-A31 PolarHBondContact O-N 3.13Å; S28-A31 WeakPolarHBondContact OG-CB 3.43Å; S28-A31 PolarHBondContact OG-N 2.9Å; S28-A31 VanDerWaalsContact OG-N 3.08Å; A31-R33 VanDerWaalsContact C-N 3.27Å; A31-R33 PolarHBondContact O-N 3.11Å; A31-H34 PolarHBondContact O-N 2.88Å; A31-I35 VanDerWaalsContact O-CG1 3.31Å; A31-I35 WeakPolarHBondContact O-CG1 3.42Å; A31-I35 PolarHBondContact O-N 3.46Å; A31-T75 HydrophobicContact CB-CG2 4.31Å
32	C	64.9	Low	60.1	Low	0 Å²	0	78 Å²	78	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-56.3	-43.2	174	-60.2	0	0	0	0	111.7	I15 S28 Y29 I35 W36	I15-C32 HydrophobicContact CG2-CB 4.04Å; S28-C32 PolarHBondContact O-N 2.82Å; Y29-C32 PolarHBondContact O-N 3.19Å; C32-I35 PolarHBondContact O-N 2.81Å; C32-W36 PolarHBondContact O-N 2.85Å
33	R	66.8	Low	60	Low	134 Å²	134	77.3 Å²	77.3	51%	0.506	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-41.3	174.3	-172.8	175.9	-179.7	-178.2	0.1	112.7	F8 Y29 A31 L37	F8-R33 HydrophobicContact CE1-CG 3.7Å; F8-R33 HydrophobicContact CZ-CG 3.64Å; Y29-R33 VanDerWaalsContact O-CB 3.29Å; Y29-R33 WeakPolarHBondContact O-CB 3.23Å; Y29-R33 PolarHBondContact O-N 3.05Å; A31-R33 VanDerWaalsContact C-N 3.27Å; A31-R33 PolarHBondContact O-N 3.11Å; R33-L37 HydrophobicContact CG-CD1 4Å; R33-L37 WeakPolarHBondContact O-CB 3.42Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 3.28Å
34	H	61.6	Low	60	Low	94 Å²	94	78.1 Å²	78.1	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-67.1	-43.6	176.6	-178.5	63	0	0	0	112	K30 A31 W36 L37 K38	K30-H34 WeakPolarHBondContact O-CB 3.44Å; K30-H34 PolarHBondContact O-N 3.17Å; A31-H34 PolarHBondContact O-N 2.88Å; H34-W36 PolarHBondContact O-N 2.85Å; H34-L37 PolarHBondContact O-N 2.88Å; H34-K38 VanDerWaalsContact O-CB 3.25Å; H34-K38 WeakPolarHBondContact O-CB 3.21Å; H34-K38 PolarHBondContact O-N 3.45Å
35	I	60.2	Low	59.9	Low	1 Å²	1	73.3 Å²	73.3	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-47.4	176	-67.5	159.4	0	0	0	110.1	A31 C32 K38 H39 L68 I72	A31-I35 VanDerWaalsContact O-CG1 3.31Å; A31-I35 WeakPolarHBondContact O-CG1 3.42Å; A31-I35 PolarHBondContact O-N 3.46Å; C32-I35 PolarHBondContact O-N 2.81Å; I35-K38 PolarHBondContact O-N 2.84Å; I35-H39 WeakPolarHBondContact O-CB 3.24Å; I35-H39 PolarHBondContact O-N 3.36Å; I35-L68 HydrophobicContact CG2-CD1 3.55Å; I35-I72 HydrophobicContact CD1-CG1 3.74Å
36	W	62.7	Low	59.7	Low	34 Å²	34	77.1 Å²	77.1	13%	0.129	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-45.6	176.9	-178.3	-115.7	0	0	0	112.9	F8 I11 I15 C32 H34 K38 G40 A45	F8-W36 AromaticContact CE2-CD1 3.66Å; I11-W36 HydrophobicContact CB-CD2 4.45Å; I11-W36 HydrophobicContact CD1-CD2 4.46Å; I11-W36 HydrophobicContact CD1-CH2 3.94Å; I11-W36 HydrophobicContact CD1-CZ2 3.39Å; I11-W36 HydrophobicContact CG2-CD2 3.55Å; I11-W36 HydrophobicContact CG2-CE3 3.57Å; I11-W36 HydrophobicContact CG2-CG 4.1Å; I11-W36 HydrophobicContact CG2-CH2 4.28Å; I11-W36 HydrophobicContact CG2-CZ2 4.24Å; I11-W36 HydrophobicContact CG2-CZ3 3.94Å; I15-W36 HydrophobicContact CD1-CB 4Å; I15-W36 HydrophobicContact CD1-CD2 4.4Å; I15-W36 HydrophobicContact CD1-CE3 3.92Å; I15-W36 HydrophobicContact CD1-CG 4.44Å; C32-W36 PolarHBondContact O-N 2.85Å; H34-W36 PolarHBondContact O-N 2.85Å; W36-K38 VanDerWaalsContact C-N 3.27Å; W36-K38 PolarHBondContact O-N 3.44Å; W36-G40 VanDerWaalsContact CE3-CA 3.47Å; W36-G40 WeakPolarHBondContact O-CA 3.39Å; W36-G40 PolarHBondContact O-N 3.19Å; W36-A45 HydrophobicContact CH2-CB 3.78Å; W36-A45 HydrophobicContact CZ2-CB 3.81Å
37	L	59.3	Low	59.1	Low	114 Å²	114	74.8 Å²	74.8	60%	0.597	35%	0.353	S	S	*	.	H	α-helix	trans	-66	-25.1	178.8	-75.5	169	0	0	0	114.2	F8 R33 H34	F8-L37 HydrophobicContact CE2-CD2 3.72Å; F8-L37 HydrophobicContact CE2-CG 4.1Å; F8-L37 HydrophobicContact CZ-CD1 4.23Å; F8-L37 HydrophobicContact CZ-CD2 3.99Å; F8-L37 HydrophobicContact CZ-CG 3.96Å; R33-L37 HydrophobicContact CG-CD1 4Å; R33-L37 WeakPolarHBondContact O-CB 3.42Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 3.28Å; H34-L37 PolarHBondContact O-N 2.88Å
38	K	57.8	Low	58.3	Low	107 Å²	107	75.6 Å²	75.6	47%	0.465	36%	0.355	S	S	.	.	H	α-helix	trans	-100	-26.7	-175.6	-173.3	-176	171.6	-138.4	0	113.5	H34 I35 W36 E74	H34-K38 VanDerWaalsContact O-CB 3.25Å; H34-K38 WeakPolarHBondContact O-CB 3.21Å; H34-K38 PolarHBondContact O-N 3.45Å; I35-K38 PolarHBondContact O-N 2.84Å; W36-K38 VanDerWaalsContact C-N 3.27Å; W36-K38 PolarHBondContact O-N 3.44Å; K38-E74 IonicContact NZ-OE2 3.77Å
39	H	56.3	Low	57.2	Low	59 Å²	59	76.6 Å²	76.6	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-134.7	2.9	-170.3	-56.3	-84.7	0	0	0	114.7	I35 A71	I35-H39 WeakPolarHBondContact O-CB 3.24Å; I35-H39 PolarHBondContact O-N 3.36Å; H39-A71 VanDerWaalsContact CD2-CB 3.48Å; H39-A71 WeakPolarHBondContact CD2-CB 3.4Å; H39-A71 WeakPolarHBondContact NE2-CB 3.43Å
40	G	53.6	Low	56.4	Low	28 Å²	28	76.7 Å²	76.7	29%	0.289	37%	0.371	S	S	.	.			trans	-87.2	136.7	179	0	0	0	0	0	113.9	W36	W36-G40 VanDerWaalsContact CE3-CA 3.47Å; W36-G40 WeakPolarHBondContact O-CA 3.39Å; W36-G40 PolarHBondContact O-N 3.19Å
41	S	57.5	Low	55.5	Low	41 Å²	41	70.6 Å²	70.6	29%	0.287	35%	0.35	S	S	.	.			trans	-85.7	109.9	169.3	176.7	0	0	0	0	110.9	N44 A45	S41-N44 PolarHBondContact O-N 2.85Å; S41-N44 PolarHBondContact OG-N 3.21Å; S41-N44 PolarHBondContact OG-OD1 2.93Å; S41-N44 VanDerWaalsContact OG-OD1 3.09Å; S41-A45 WeakPolarHBondContact O-CB 3.2Å; S41-A45 PolarHBondContact O-N 2.85Å
42	Y	51.8	Low	55	Low	125 Å²	125	73.5 Å²	73.5	49%	0.49	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-41.3	178.3	174.1	-98.6	0	0	0	112.8	A45 K46	Y42-A45 PolarHBondContact O-N 2.82Å; Y42-K46 PolarHBondContact O-N 2.94Å
43	E	50	Low	54	Low	132 Å²	132	81.6 Å²	81.6	62%	0.617	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-47.9	177.4	-66.4	-93.8	101.7	0	0	110.9	A45 K46 F47	E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 2.93Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 2.69Å; E43-F47 PolarHBondContact O-N 2.62Å; E43-F47 VanDerWaalsContact O-N 3.12Å
44	N	47.7	Very low	52.9	Low	67 Å²	67	76.7 Å²	76.7	36%	0.358	41%	0.41	S	S	.	.	H	α-helix	trans	-66.2	-37.5	179.8	-58.2	12.8	0	0	0	110.5	S41 F47 Y48 H61 Y62	S41-N44 PolarHBondContact O-N 2.85Å; S41-N44 PolarHBondContact OG-N 3.21Å; S41-N44 PolarHBondContact OG-OD1 2.93Å; S41-N44 VanDerWaalsContact OG-OD1 3.09Å; N44-F47 WeakPolarHBondContact O-CB 3.46Å; N44-F47 PolarHBondContact O-N 3.48Å; N44-Y48 PolarHBondContact O-N 3.22Å; N44-H61 PolarHBondContact ND2-O 3.45Å; N44-Y62 HydrophobicContact CB-CD1 3.72Å; N44-Y62 HydrophobicContact CB-CE1 4.25Å; N44-Y62 VanDerWaalsContact O-CD1 3.32Å; N44-Y62 WeakPolarHBondContact O-CD1 3.24Å; N44-Y62 WeakPolarHBondContact O-CE1 3.34Å
45	A	49.3	Very low	52.2	Low	9 Å²	9	81.7 Å²	81.7	7%	0.074	43%	0.431	C	S	.	.	H	α-helix	trans	-64.6	-37.6	174.2	0	0	0	0	0	113.4	I11 W36 S41 Y42 E43 F47 Y48 F49	I11-A45 HydrophobicContact CD1-CB 3.63Å; W36-A45 HydrophobicContact CH2-CB 3.78Å; W36-A45 HydrophobicContact CZ2-CB 3.81Å; S41-A45 WeakPolarHBondContact O-CB 3.2Å; S41-A45 PolarHBondContact O-N 2.85Å; Y42-A45 PolarHBondContact O-N 2.82Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 2.93Å; A45-F47 VanDerWaalsContact C-N 3.28Å; A45-F47 PolarHBondContact O-N 3.38Å; A45-Y48 PolarHBondContact O-N 3.43Å; A45-F49 WeakPolarHBondContact O-CD2 3.43Å; A45-F49 PolarHBondContact O-N 2.73Å
46	K	51.1	Low	51.2	Low	128 Å²	128	84.1 Å²	84.1	56%	0.557	46%	0.456	S	S	*	.	H	α-helix	trans	-60.1	-40.9	173.1	-168.5	-176.6	176.8	-167.1	0	110.6	Y42 E43 A50	Y42-K46 PolarHBondContact O-N 2.94Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 2.69Å; K46-A50 VanDerWaalsContact O-CB 3.29Å; K46-A50 WeakPolarHBondContact O-CB 3.36Å; K46-A50 PolarHBondContact O-N 2.9Å
47	F	48	Very low	49.9	Very low	159 Å²	159	91.6 Å²	91.6	70%	0.697	48%	0.484	S	S	*	.	H	α-helix	trans	-65.8	-40	172.8	-118.6	-79.5	0	0	0	113.5	E43 N44 A45 A50 S51	E43-F47 PolarHBondContact O-N 2.62Å; E43-F47 VanDerWaalsContact O-N 3.12Å; N44-F47 WeakPolarHBondContact O-CB 3.46Å; N44-F47 PolarHBondContact O-N 3.48Å; A45-F47 VanDerWaalsContact C-N 3.28Å; A45-F47 PolarHBondContact O-N 3.38Å; F47-A50 PolarHBondContact O-N 3.46Å; F47-S51 PolarHBondContact O-N 2.92Å
48	Y	48.1	Very low	49.1	Very low	29 Å²	29	87.7 Å²	87.7	11%	0.114	46%	0.464	C	S	.	.	H	α-helix	trans	-62.6	-40.8	176.7	179	-96.5	0	0	0	112.5	N44 A45 S51 G54 R57 I58 Y62	N44-Y48 PolarHBondContact O-N 3.22Å; A45-Y48 PolarHBondContact O-N 3.43Å; Y48-S51 PolarHBondContact O-OG 3.49Å; Y48-G54 WeakPolarHBondContact OH-CA 3.38Å; Y48-R57 PolarHBondContact OH-O 2.76Å; Y48-I58 HydrophobicContact CE1-CG1 4.23Å; Y48-I58 HydrophobicContact CE2-CB 4.46Å; Y48-I58 HydrophobicContact CE2-CG1 4.06Å; Y48-Y62 HydrophobicContact CD2-CD2 4.24Å; Y48-Y62 HydrophobicContact CD2-CE1 4.36Å; Y48-Y62 AromaticContact CD2-CE2 3.89Å; Y48-Y62 HydrophobicContact CD2-CE2 3.89Å; Y48-Y62 AromaticContact CD2-CZ 3.97Å; Y48-Y62 HydrophobicContact CG-CE1 4.48Å
49	F	51.2	Low	48.3	Very low	79 Å²	79	85.2 Å²	85.2	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-75.3	-34.3	175.7	-73.5	-57.1	0	0	0	113	C7 A10 I11 A45 S51	C7-F49 HydrophobicContact CB-CD2 4Å; C7-F49 HydrophobicContact CB-CE2 3.62Å; C7-F49 HydrophobicContact CB-CZ 4.22Å; C7-F49 WeakPolarHBondContact O-CE2 3.15Å; C7-F49 WeakPolarHBondContact O-CZ 3.38Å; A10-F49 HydrophobicContact CB-CE1 4.23Å; A10-F49 HydrophobicContact CB-CZ 3.94Å; I11-F49 HydrophobicContact CD1-CE2 3.8Å; I11-F49 HydrophobicContact CD1-CZ 4.36Å; I11-F49 HydrophobicContact CG1-CE2 3.73Å; I11-F49 HydrophobicContact CG1-CZ 3.77Å; A45-F49 WeakPolarHBondContact O-CD2 3.43Å; A45-F49 PolarHBondContact O-N 2.73Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 3.01Å
50	A	54.1	Low	47.3	Very low	85 Å²	85	85.1 Å²	85.1	70%	0.702	46%	0.464	S	S	*	.	H	α-helix	trans	-68.7	-27.8	177.1	0	0	0	0	0	113.5	K46 F47	K46-A50 VanDerWaalsContact O-CB 3.29Å; K46-A50 WeakPolarHBondContact O-CB 3.36Å; K46-A50 PolarHBondContact O-N 2.9Å; F47-A50 PolarHBondContact O-N 3.46Å
51	S	51.5	Low	46.8	Very low	49 Å²	49	89.4 Å²	89.4	34%	0.343	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-18	-176	72.6	0	0	0	0	115	F47 Y48 F49 Q53	F47-S51 PolarHBondContact O-N 2.92Å; Y48-S51 PolarHBondContact O-OG 3.49Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 3.01Å; S51-Q53 PolarHBondContact O-N 2.91Å
52	G	51.8	Low	46	Very low	70 Å²	70	89.3 Å²	89.3	72%	0.722	47%	0.47	S	S	*	.			trans	65.8	-7.4	-176.7	0	0	0	0	0	116.3	G54	G52-G54 PolarHBondContact O-N 3.29Å; G52-G54 VanDerWaalsContact O-N 3.15Å
53	Q	44.7	Very low	45.4	Very low	169 Å²	169	85.5 Å²	85.5	79%	0.79	46%	0.456	S	S	*	.			trans	-78.5	3.7	-169.5	-72.8	176.1	-2.3	0	0	115.1	S51 K55	S51-Q53 PolarHBondContact O-N 2.91Å; Q53-K55 PolarHBondContact O-N 2.82Å
54	G	42.8	Very low	45.1	Very low	31 Å²	31	82.6 Å²	82.6	32%	0.32	45%	0.445	S	S	.	.			trans	-78	77	-174.1	0	0	0	0	0	115.2	Y48 G52 G56	Y48-G54 WeakPolarHBondContact OH-CA 3.38Å; G52-G54 PolarHBondContact O-N 3.29Å; G52-G54 VanDerWaalsContact O-N 3.15Å; G54-G56 PolarHBondContact O-N 2.93Å
55	K	47.2	Very low	44.8	Very low	200 Å²	200	84.2 Å²	84.2	87%	0.87	45%	0.45	S	S	*	.	S	Bend	trans	-67.4	57.5	168.5	-71.9	-167.8	177.6	-175.4	0	112.8	Q53 R57	Q53-K55 PolarHBondContact O-N 2.82Å; K55-R57 PolarHBondContact O-N 2.78Å
56	G	39.6	Very low	44.5	Very low	52 Å²	52	88.2 Å²	88.2	54%	0.536	48%	0.477	S	S	.	.	S	Bend	trans	63.5	2.7	-178	0	0	0	0	0	115.6	G54	G54-G56 PolarHBondContact O-N 2.93Å
57	R	35	Very low	44.3	Very low	191 Å²	191	85.9 Å²	85.9	72%	0.721	47%	0.469	S	S	*	.			trans	-107.7	120.8	177.2	-65.6	-177.8	178.6	-167.6	-0.2	108.7	Y48 K55 P59	Y48-R57 PolarHBondContact OH-O 2.76Å; K55-R57 PolarHBondContact O-N 2.78Å; R57-P59 WeakPolarHBondContact O-CD 3.13Å
58	I	42.3	Very low	44.2	Very low	32 Å²	32	79.4 Å²	79.4	16%	0.164	44%	0.442	C	S	.	.			trans	-91.2	115.9	162.2	-60.7	170.9	0	0	0	107.4	V14 Y48 Y62 F63	V14-I58 HydrophobicContact CB-CD1 3.92Å; V14-I58 HydrophobicContact CG1-CD1 3.48Å; V14-I58 VanDerWaalsContact CG1-CD1 3.48Å; V14-I58 HydrophobicContact CG1-CG1 3.83Å; Y48-I58 HydrophobicContact CE1-CG1 4.23Å; Y48-I58 HydrophobicContact CE2-CB 4.46Å; Y48-I58 HydrophobicContact CE2-CG1 4.06Å; I58-Y62 VanDerWaalsContact CG2-CB 3.48Å; I58-Y62 HydrophobicContact CG2-CD2 3.74Å; I58-Y62 HydrophobicContact CG2-CG 3.87Å; I58-F63 HydrophobicContact CB-CE1 3.99Å; I58-F63 HydrophobicContact CG2-CD1 3.93Å; I58-F63 HydrophobicContact CG2-CE1 3.55Å
59	P	39.8	Very low	44.1	Very low	54 Å²	54	81.9 Å²	81.9	35%	0.351	46%	0.456	S	S	.	.			trans	-58.5	156.7	172.9	-30.6	36.7	0	0	0	115.3	R57 H61 Y62	R57-P59 WeakPolarHBondContact O-CD 3.13Å; P59-H61 WeakPolarHBondContact CB-CE1 3.35Å; P59-H61 WeakPolarHBondContact CB-ND1 3.4Å; P59-H61 PolarHBondContact O-N 3.09Å; P59-Y62 HydrophobicContact CB-CD2 3.94Å; P59-Y62 HydrophobicContact CB-CE2 3.89Å; P59-Y62 HydrophobicContact CG-CD2 4.17Å; P59-Y62 HydrophobicContact CG-CE2 3.78Å; P59-Y62 WeakPolarHBondContact O-CD2 3.03Å; P59-Y62 PolarHBondContact O-N 2.93Å
60	S	37	Very low	44	Very low	58 Å²	58	82 Å²	82	41%	0.406	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	27.1	-177.1	75.3	0	0	0	0	115	F63	S60-F63 CarbonylContact C-O 3.6Å
61	H	43.4	Very low	43.7	Very low	118 Å²	118	78 Å²	78	55%	0.546	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-5.1	173.3	60.3	-101.2	0	0	0	112.8	N44 P59	N44-H61 PolarHBondContact ND2-O 3.45Å; P59-H61 WeakPolarHBondContact CB-CE1 3.35Å; P59-H61 WeakPolarHBondContact CB-ND1 3.4Å; P59-H61 PolarHBondContact O-N 3.09Å
62	Y	39.7	Very low	43.6	Very low	38 Å²	38	76 Å²	76	15%	0.149	41%	0.41	C	S	.	.	S	Bend	trans	-88	-14.9	169.3	-62.3	-77.7	0	0	0	112.7	N44 Y48 I58 P59	N44-Y62 HydrophobicContact CB-CD1 3.72Å; N44-Y62 HydrophobicContact CB-CE1 4.25Å; N44-Y62 VanDerWaalsContact O-CD1 3.32Å; N44-Y62 WeakPolarHBondContact O-CD1 3.24Å; N44-Y62 WeakPolarHBondContact O-CE1 3.34Å; Y48-Y62 HydrophobicContact CD2-CD2 4.24Å; Y48-Y62 HydrophobicContact CD2-CE1 4.36Å; Y48-Y62 AromaticContact CD2-CE2 3.89Å; Y48-Y62 HydrophobicContact CD2-CE2 3.89Å; Y48-Y62 AromaticContact CD2-CZ 3.97Å; Y48-Y62 HydrophobicContact CG-CE1 4.48Å; I58-Y62 VanDerWaalsContact CG2-CB 3.48Å; I58-Y62 HydrophobicContact CG2-CD2 3.74Å; I58-Y62 HydrophobicContact CG2-CG 3.87Å; P59-Y62 HydrophobicContact CB-CD2 3.94Å; P59-Y62 HydrophobicContact CB-CE2 3.89Å; P59-Y62 HydrophobicContact CG-CD2 4.17Å; P59-Y62 HydrophobicContact CG-CE2 3.78Å; P59-Y62 WeakPolarHBondContact O-CD2 3.03Å; P59-Y62 PolarHBondContact O-N 2.93Å
63	F	38.9	Very low	43.5	Very low	46 Å²	46	76.8 Å²	76.8	20%	0.202	40%	0.397	C	S	.	.	S	Bend	trans	-149.3	145.2	168	53.6	-95.2	0	0	0	107.8	I58 S60 H65 L68	I58-F63 HydrophobicContact CB-CE1 3.99Å; I58-F63 HydrophobicContact CG2-CD1 3.93Å; I58-F63 HydrophobicContact CG2-CE1 3.55Å; S60-F63 CarbonylContact C-O 3.6Å; F63-H65 HydrophobicContact CD2-CB 4.49Å; F63-H65 HydrophobicContact CE2-CB 4.27Å; F63-H65 PolarHBondContact O-N 3.19Å; F63-L68 HydrophobicContact CD2-CB 4.11Å; F63-L68 HydrophobicContact CD2-CD2 3.76Å; F63-L68 HydrophobicContact CD2-CG 4.44Å; F63-L68 HydrophobicContact CE2-CD2 3.87Å; F63-L68 HydrophobicContact CG-CD2 4.22Å; F63-L68 HydrophobicContact CZ-CD2 4.4Å
64	D	43.4	Very low	43.7	Very low	71 Å²	71	72.2 Å²	72.2	38%	0.38	38%	0.376	S	S	.	.			trans	-71.7	122	163.5	178.4	-23.7	0	0	0	107.7	C66 I67 L68	D64-C66 VanDerWaalsContact C-N 3.26Å; D64-C66 PolarHBondContact O-N 2.75Å; D64-C66 WeakPolarHBondContact OD1-CA 3.02Å; D64-C66 VanDerWaalsContact OD1-CB 3.29Å; D64-C66 WeakPolarHBondContact OD1-CB 3.39Å; D64-C66 PolarHBondContact OD1-N 2.96Å; D64-I67 HydrophobicContact CB-CB 3.95Å; D64-I67 HydrophobicContact CB-CD1 3.89Å; D64-I67 HydrophobicContact CB-CG1 3.89Å; D64-I67 PolarHBondContact O-N 3.3Å; D64-I67 PolarHBondContact OD1-N 3.43Å; D64-L68 WeakPolarHBondContact O-CB 2.98Å; D64-L68 PolarHBondContact O-N 2.97Å
65	H	41.7	Very low	43.9	Very low	101 Å²	101	72 Å²	72	47%	0.468	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-27.7	-176.7	-159.8	-42.5	0	0	0	112.5	F63 I69	F63-H65 HydrophobicContact CD2-CB 4.49Å; F63-H65 HydrophobicContact CE2-CB 4.27Å; F63-H65 PolarHBondContact O-N 3.19Å; H65-I69 WeakPolarHBondContact ND1-CD1 3.5Å; H65-I69 WeakPolarHBondContact O-CB 3.44Å; H65-I69 VanDerWaalsContact O-CG1 3.27Å; H65-I69 WeakPolarHBondContact O-CG1 3.33Å; H65-I69 PolarHBondContact O-N 3.29Å
66	C	43	Very low	43.9	Very low	93 Å²	93	65.1 Å²	65.1	63%	0.628	34%	0.34	S	S	*	.	H	α-helix	trans	-74.7	-45.1	173.5	-65	0	0	0	0	110.7	D64 L68 I69 Q70	D64-C66 VanDerWaalsContact C-N 3.26Å; D64-C66 PolarHBondContact O-N 2.75Å; D64-C66 WeakPolarHBondContact OD1-CA 3.02Å; D64-C66 VanDerWaalsContact OD1-CB 3.29Å; D64-C66 WeakPolarHBondContact OD1-CB 3.39Å; D64-C66 PolarHBondContact OD1-N 2.96Å; C66-L68 VanDerWaalsContact C-N 3.33Å; C66-L68 PolarHBondContact O-N 2.86Å; C66-I69 PolarHBondContact O-N 2.04Å; C66-Q70 VanDerWaalsContact O-CB 3.26Å; C66-Q70 WeakPolarHBondContact O-CB 3.31Å; C66-Q70 PolarHBondContact O-N 2.91Å
67	I	46.4	Very low	44.5	Very low	79 Å²	79	67.8 Å²	67.8	41%	0.405	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-38.7	174.4	-61.8	177.7	0	0	0	110.9	D64 Q70 A71	D64-I67 HydrophobicContact CB-CB 3.95Å; D64-I67 HydrophobicContact CB-CD1 3.89Å; D64-I67 HydrophobicContact CB-CG1 3.89Å; D64-I67 PolarHBondContact O-N 3.3Å; D64-I67 PolarHBondContact OD1-N 3.43Å; I67-Q70 PolarHBondContact O-N 2.79Å; I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 2.86Å
68	L	45.8	Very low	45.2	Very low	22 Å²	22	67 Å²	67	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-48.2	176	-166.4	77.9	0	0	0	111.3	I35 F63 D64 C66 Q70 A71 I72	I35-L68 HydrophobicContact CG2-CD1 3.55Å; F63-L68 HydrophobicContact CD2-CB 4.11Å; F63-L68 HydrophobicContact CD2-CD2 3.76Å; F63-L68 HydrophobicContact CD2-CG 4.44Å; F63-L68 HydrophobicContact CE2-CD2 3.87Å; F63-L68 HydrophobicContact CG-CD2 4.22Å; F63-L68 HydrophobicContact CZ-CD2 4.4Å; D64-L68 WeakPolarHBondContact O-CB 2.98Å; D64-L68 PolarHBondContact O-N 2.97Å; C66-L68 VanDerWaalsContact C-N 3.33Å; C66-L68 PolarHBondContact O-N 2.86Å; L68-Q70 PolarHBondContact O-N 2.95Å; L68-A71 PolarHBondContact O-N 3.48Å; L68-I72 HydrophobicContact CG-CD1 4.12Å; L68-I72 VanDerWaalsContact O-CD1 3.26Å; L68-I72 WeakPolarHBondContact O-CD1 3.35Å; L68-I72 WeakPolarHBondContact O-CG1 3.34Å; L68-I72 PolarHBondContact O-N 2.83Å
69	I	47.5	Very low	45.3	Very low	81 Å²	81	70.2 Å²	70.2	42%	0.415	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-46.7	174.1	-77.5	172.1	0	0	0	110.7	H65 C66 I72 I73	H65-I69 WeakPolarHBondContact ND1-CD1 3.5Å; H65-I69 WeakPolarHBondContact O-CB 3.44Å; H65-I69 VanDerWaalsContact O-CG1 3.27Å; H65-I69 WeakPolarHBondContact O-CG1 3.33Å; H65-I69 PolarHBondContact O-N 3.29Å; C66-I69 PolarHBondContact O-N 2.04Å; I69-I72 WeakPolarHBondContact O-CB 3.13Å; I69-I72 PolarHBondContact O-N 2.91Å; I69-I73 HydrophobicContact CG2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CG1 4.32Å; I69-I73 WeakPolarHBondContact O-CG1 3.04Å; I69-I73 PolarHBondContact O-N 2.85Å
70	Q	48.5	Very low	45.5	Very low	83 Å²	83	72 Å²	72	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-43.3	-179	-174	178.8	-33.4	0	0	111.4	C66 I67 L68 I72 I73 E74	C66-Q70 VanDerWaalsContact O-CB 3.26Å; C66-Q70 WeakPolarHBondContact O-CB 3.31Å; C66-Q70 PolarHBondContact O-N 2.91Å; I67-Q70 PolarHBondContact O-N 2.79Å; L68-Q70 PolarHBondContact O-N 2.95Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 PolarHBondContact O-N 2.9Å; Q70-I73 PolarHBondContact O-N 2.93Å; Q70-I73 VanDerWaalsContact O-N 3.17Å; Q70-E74 HydrophobicContact CG-CG 4.43Å; Q70-E74 PolarHBondContact NE2-OE1 3.02Å; Q70-E74 WeakPolarHBondContact O-CB 3.49Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 2.78Å
71	A	48.9	Very low	46	Very low	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-60.7	-35.5	174.1	0	0	0	0	0	112.6	H39 I67 L68 T75	H39-A71 VanDerWaalsContact CD2-CB 3.48Å; H39-A71 WeakPolarHBondContact CD2-CB 3.4Å; H39-A71 WeakPolarHBondContact NE2-CB 3.43Å; I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 2.86Å; L68-A71 PolarHBondContact O-N 3.48Å; A71-T75 VanDerWaalsContact O-CB 3.28Å; A71-T75 WeakPolarHBondContact O-CB 3.3Å; A71-T75 PolarHBondContact O-N 3.43Å; A71-T75 PolarHBondContact O-OG1 3.2Å
72	I	48.1	Very low	46.2	Very low	7 Å²	7	73.5 Å²	73.5	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-69.1	-45.6	173.5	-68.4	158.2	0	0	0	110.5	L19 I25 I35 L68 I69 Q70 E74 T75 L76	L19-I72 HydrophobicContact CD1-CD1 3.72Å; L19-I72 HydrophobicContact CD1-CG1 4.28Å; L19-I72 HydrophobicContact CD2-CD1 3.46Å; L19-I72 VanDerWaalsContact CD2-CD1 3.46Å; L19-I72 HydrophobicContact CG-CD1 4.25Å; I25-I72 HydrophobicContact CD1-CG2 3.94Å; I25-I72 HydrophobicContact CG2-CG2 4.46Å; I35-I72 HydrophobicContact CD1-CG1 3.74Å; L68-I72 HydrophobicContact CG-CD1 4.12Å; L68-I72 VanDerWaalsContact O-CD1 3.26Å; L68-I72 WeakPolarHBondContact O-CD1 3.35Å; L68-I72 WeakPolarHBondContact O-CG1 3.34Å; L68-I72 PolarHBondContact O-N 2.83Å; I69-I72 WeakPolarHBondContact O-CB 3.13Å; I69-I72 PolarHBondContact O-N 2.91Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 PolarHBondContact O-N 2.9Å; I72-E74 PolarHBondContact O-N 3.21Å; I72-T75 PolarHBondContact O-N 3.3Å; I72-L76 HydrophobicContact CG2-CD1 3.73Å; I72-L76 HydrophobicContact CG2-CG 4.31Å; I72-L76 WeakPolarHBondContact O-CB 3.19Å; I72-L76 VanDerWaalsContact O-CG 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.27Å; I72-L76 PolarHBondContact O-N 3.03Å
73	I	49.4	Very low	46.5	Very low	87 Å²	87	76.8 Å²	76.8	45%	0.446	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-41.4	176.6	-69.2	169.5	0	0	0	111.4	I69 Q70 H77	I69-I73 HydrophobicContact CG2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CG1 4.32Å; I69-I73 WeakPolarHBondContact O-CG1 3.04Å; I69-I73 PolarHBondContact O-N 2.85Å; Q70-I73 PolarHBondContact O-N 2.93Å; Q70-I73 VanDerWaalsContact O-N 3.17Å; I73-H77 VanDerWaalsContact O-CB 3.32Å; I73-H77 WeakPolarHBondContact O-CB 3.43Å; I73-H77 PolarHBondContact O-N 3.32Å; I73-H77 PolarHBondContact O-ND1 3.31Å; I73-H77 VanDerWaalsContact O-ND1 3.15Å
74	E	50.1	Low	46.7	Very low	73 Å²	73	80.5 Å²	80.5	34%	0.341	39%	0.394	S	S	.	.	H	α-helix	trans	-65.4	-41	174.8	-75.7	173.7	-164.1	0	0	111.9	K38 Q70 I72 H77 R78	K38-E74 IonicContact NZ-OE2 3.77Å; Q70-E74 HydrophobicContact CG-CG 4.43Å; Q70-E74 PolarHBondContact NE2-OE1 3.02Å; Q70-E74 WeakPolarHBondContact O-CB 3.49Å; Q70-E74 WeakPolarHBondContact O-CG 3.39Å; Q70-E74 PolarHBondContact O-N 2.78Å; I72-E74 PolarHBondContact O-N 3.21Å; E74-H77 PolarHBondContact O-N 3.48Å; E74-R78 PolarHBondContact O-N 3.24Å
75	T	46.8	Very low	47	Very low	27 Å²	27	82 Å²	82	17%	0.166	40%	0.399	C	S	.	.	H	α-helix	trans	-67.9	-44.1	178.4	-58	0	0	0	0	110.8	A31 A71 I72 R78 E79	A31-T75 HydrophobicContact CB-CG2 4.31Å; A71-T75 VanDerWaalsContact O-CB 3.28Å; A71-T75 WeakPolarHBondContact O-CB 3.3Å; A71-T75 PolarHBondContact O-N 3.43Å; A71-T75 PolarHBondContact O-OG1 3.2Å; I72-T75 PolarHBondContact O-N 3.3Å; T75-R78 PolarHBondContact O-N 2.98Å; T75-E79 PolarHBondContact O-N 2.84Å
76	L	46.6	Very low	47	Very low	55 Å²	55	83.5 Å²	83.5	29%	0.288	40%	0.404	S	S	.	.	H	α-helix	trans	-66.3	-39.6	175.2	-69.3	171.2	0	0	0	111.7	I25 I72 E79 I80	I25-L76 HydrophobicContact CG2-CD1 4.16Å; I72-L76 HydrophobicContact CG2-CD1 3.73Å; I72-L76 HydrophobicContact CG2-CG 4.31Å; I72-L76 WeakPolarHBondContact O-CB 3.19Å; I72-L76 VanDerWaalsContact O-CG 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.27Å; I72-L76 PolarHBondContact O-N 3.03Å; L76-E79 PolarHBondContact O-N 2.79Å; L76-I80 WeakPolarHBondContact O-CB 3.49Å; L76-I80 WeakPolarHBondContact O-CD1 3.26Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 3.27Å
77	H	51.9	Low	46.9	Very low	107 Å²	107	83.9 Å²	83.9	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-58.9	-50.3	172.5	-97	91.5	0	0	0	111.5	I73 E74 E79 I80 E81	I73-H77 VanDerWaalsContact O-CB 3.32Å; I73-H77 WeakPolarHBondContact O-CB 3.43Å; I73-H77 PolarHBondContact O-N 3.32Å; I73-H77 PolarHBondContact O-ND1 3.31Å; I73-H77 VanDerWaalsContact O-ND1 3.15Å; E74-H77 PolarHBondContact O-N 3.48Å; H77-E79 VanDerWaalsContact C-N 3.27Å; H77-E79 PolarHBondContact O-N 3.14Å; H77-I80 CarbonylContact O-C 3.58Å; H77-I80 WeakPolarHBondContact O-CB 3.44Å; H77-I80 PolarHBondContact O-N 3.24Å; H77-I80 VanDerWaalsContact O-N 3.11Å; H77-E81 WeakPolarHBondContact O-CB 3.42Å; H77-E81 WeakPolarHBondContact O-CG 3.38Å; H77-E81 PolarHBondContact O-N 3.02Å
78	R	49.7	Very low	46.5	Very low	174 Å²	174	83.1 Å²	83.1	66%	0.657	40%	0.4	S	S	*	.	H	α-helix	trans	-60.1	-36.8	176.9	-81.1	-175.6	165.2	-163.5	-4.4	112.9	E74 T75 L82	E74-R78 PolarHBondContact O-N 3.24Å; T75-R78 PolarHBondContact O-N 2.98Å; R78-L82 VanDerWaalsContact O-CB 3.32Å; R78-L82 WeakPolarHBondContact O-CB 3.43Å; R78-L82 WeakPolarHBondContact O-CG 3.43Å; R78-L82 PolarHBondContact O-N 2.96Å
79	E	44.7	Very low	46.2	Very low	101 Å²	101	90.8 Å²	90.8	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-70.2	-35.4	177	-160.1	151.6	-137.8	0	0	111.4	T75 L76 H77 Q83	T75-E79 PolarHBondContact O-N 2.84Å; L76-E79 PolarHBondContact O-N 2.79Å; H77-E79 VanDerWaalsContact C-N 3.27Å; H77-E79 PolarHBondContact O-N 3.14Å; E79-Q83 WeakPolarHBondContact O-CG 3.48Å; E79-Q83 PolarHBondContact O-N 2.89Å
80	I	43.9	Very low	45.6	Very low	92 Å²	92	94.8 Å²	94.8	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-68.3	-44	171.1	-68.8	164	0	0	0	111.8	L76 H77 L82 Q83 Q84	L76-I80 WeakPolarHBondContact O-CB 3.49Å; L76-I80 WeakPolarHBondContact O-CD1 3.26Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 3.27Å; H77-I80 CarbonylContact O-C 3.58Å; H77-I80 WeakPolarHBondContact O-CB 3.44Å; H77-I80 PolarHBondContact O-N 3.24Å; H77-I80 VanDerWaalsContact O-N 3.11Å; I80-L82 PolarHBondContact O-N 3.11Å; I80-Q83 CarbonylContact O-C 3.52Å; I80-Q83 WeakPolarHBondContact O-CB 3.38Å; I80-Q83 PolarHBondContact O-N 2.85Å; I80-Q84 HydrophobicContact CG2-CG 4.41Å; I80-Q84 WeakPolarHBondContact O-CB 3.29Å; I80-Q84 WeakPolarHBondContact O-CG 3.43Å; I80-Q84 PolarHBondContact O-N 3.26Å
81	E	47.5	Very low	44.8	Very low	102 Å²	102	95.7 Å²	95.7	48%	0.477	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-41.4	175.9	-73.5	174.3	157.3	0	0	111.5	H77 Q84 Q85	H77-E81 WeakPolarHBondContact O-CB 3.42Å; H77-E81 WeakPolarHBondContact O-CG 3.38Å; H77-E81 PolarHBondContact O-N 3.02Å; E81-Q84 PolarHBondContact O-N 3.43Å; E81-Q85 WeakPolarHBondContact O-CB 3.28Å; E81-Q85 WeakPolarHBondContact O-CG 3.06Å; E81-Q85 PolarHBondContact O-N 2.9Å
82	L	48.7	Very low	44.2	Very low	104 Å²	104	104.9 Å²	104.9	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-67.4	-34.1	174.8	-74.4	169.5	0	0	0	112.4	R78 I80 K86	R78-L82 VanDerWaalsContact O-CB 3.32Å; R78-L82 WeakPolarHBondContact O-CB 3.43Å; R78-L82 WeakPolarHBondContact O-CG 3.43Å; R78-L82 PolarHBondContact O-N 2.96Å; I80-L82 PolarHBondContact O-N 3.11Å; L82-K86 WeakPolarHBondContact O-CG 3.3Å; L82-K86 PolarHBondContact O-N 2.91Å; L82-K86 VanDerWaalsContact O-N 3.08Å
83	Q	44.1	Very low	43.4	Very low	107 Å²	107	109 Å²	109	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-45.4	169.5	-70.1	-77.6	9.6	0	0	111	E79 I80 Q85 K86 I87	E79-Q83 WeakPolarHBondContact O-CG 3.48Å; E79-Q83 PolarHBondContact O-N 2.89Å; I80-Q83 CarbonylContact O-C 3.52Å; I80-Q83 WeakPolarHBondContact O-CB 3.38Å; I80-Q83 PolarHBondContact O-N 2.85Å; Q83-Q85 PolarHBondContact O-N 3.28Å; Q83-K86 WeakPolarHBondContact O-CB 3.19Å; Q83-K86 PolarHBondContact O-N 3.33Å; Q83-K86 VanDerWaalsContact O-N 3.15Å; Q83-I87 VanDerWaalsContact O-CG1 3.29Å; Q83-I87 WeakPolarHBondContact O-CG1 3.48Å; Q83-I87 PolarHBondContact O-N 2.93Å
84	Q	44.2	Very low	42.4	Very low	124 Å²	124	111.8 Å²	111.8	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-64.3	-36.2	177.3	-72.8	-177.6	10.8	0	0	112.6	I80 E81 I87 S88	I80-Q84 HydrophobicContact CG2-CG 4.41Å; I80-Q84 WeakPolarHBondContact O-CB 3.29Å; I80-Q84 WeakPolarHBondContact O-CG 3.43Å; I80-Q84 PolarHBondContact O-N 3.26Å; E81-Q84 PolarHBondContact O-N 3.43Å; Q84-I87 PolarHBondContact O-N 3.2Å; Q84-S88 WeakPolarHBondContact O-CB 3.45Å; Q84-S88 PolarHBondContact O-N 3.05Å; Q84-S88 PolarHBondContact O-OG 3.47Å
85	Q	48.7	Very low	41.3	Very low	102 Å²	102	113.1 Å²	113.1	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-68.8	-33.8	171.9	-76.8	-161.9	16.6	0	0	113	E81 Q83 S88 R89	E81-Q85 WeakPolarHBondContact O-CB 3.28Å; E81-Q85 WeakPolarHBondContact O-CG 3.06Å; E81-Q85 PolarHBondContact O-N 2.9Å; Q83-Q85 PolarHBondContact O-N 3.28Å; Q85-S88 WeakPolarHBondContact CA-OG 3.39Å; Q85-S88 PolarHBondContact O-OG 2.81Å; Q85-R89 VanDerWaalsContact O-CG 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.46Å; Q85-R89 PolarHBondContact O-N 2.94Å
86	K	43.5	Very low	40.3	Very low	133 Å²	133	120.5 Å²	120.5	58%	0.578	59%	0.588	S	S	*	*	H	α-helix	trans	-67.1	-46.3	171.6	-77.1	174.4	179.5	179.9	0	110.7	L82 Q83 S88 R89 F90	L82-K86 WeakPolarHBondContact O-CG 3.3Å; L82-K86 PolarHBondContact O-N 2.91Å; L82-K86 VanDerWaalsContact O-N 3.08Å; Q83-K86 WeakPolarHBondContact O-CB 3.19Å; Q83-K86 PolarHBondContact O-N 3.33Å; Q83-K86 VanDerWaalsContact O-N 3.15Å; K86-S88 PolarHBondContact O-N 2.96Å; K86-R89 PolarHBondContact O-N 2.83Å; K86-F90 WeakPolarHBondContact O-CD2 3.23Å; K86-F90 PolarHBondContact O-N 3.05Å
87	I	40.3	Very low	39.3	Very low	101 Å²	101	123.3 Å²	123.3	52%	0.518	61%	0.61	S	S	.	*	H	α-helix	trans	-60.4	-45.8	176.7	-67.6	163.3	0	0	0	110.3	Q83 Q84 R89 F90 T91	Q83-I87 VanDerWaalsContact O-CG1 3.29Å; Q83-I87 WeakPolarHBondContact O-CG1 3.48Å; Q83-I87 PolarHBondContact O-N 2.93Å; Q84-I87 PolarHBondContact O-N 3.2Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.38Å; I87-F90 CarbonylContact O-C 3.35Å; I87-F90 PolarHBondContact O-N 3.16Å; I87-F90 VanDerWaalsContact O-N 3.07Å; I87-T91 HydrophobicContact CG2-CG2 4.09Å; I87-T91 WeakPolarHBondContact O-CG2 3.42Å; I87-T91 PolarHBondContact O-N 3.07Å; I87-T91 PolarHBondContact O-OG1 2.89Å
88	S	38.1	Very low	38.1	Very low	63 Å²	63	127.3 Å²	127.3	44%	0.441	63%	0.626	S	S	.	*	H	α-helix	trans	-64.8	-32.4	-179	73.5	0	0	0	0	113.4	Q84 Q85 K86 T91	Q84-S88 WeakPolarHBondContact O-CB 3.45Å; Q84-S88 PolarHBondContact O-N 3.05Å; Q84-S88 PolarHBondContact O-OG 3.47Å; Q85-S88 WeakPolarHBondContact CA-OG 3.39Å; Q85-S88 PolarHBondContact O-OG 2.81Å; K86-S88 PolarHBondContact O-N 2.96Å; S88-T91 VanDerWaalsContact CA-OG1 3.32Å; S88-T91 WeakPolarHBondContact CA-OG1 3.19Å; S88-T91 PolarHBondContact O-OG1 2.8Å; S88-T91 VanDerWaalsContact O-OG1 3.07Å
89	R	38	Very low	36.9	Very low	183 Å²	183	130.5 Å²	130.5	69%	0.691	64%	0.638	S	S	*	*	H	α-helix	trans	-69.5	-40.1	170.6	-69.7	174.4	-161.4	-152.2	6.5	112.1	Q85 K86 I87	Q85-R89 VanDerWaalsContact O-CG 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.46Å; Q85-R89 PolarHBondContact O-N 2.94Å; K86-R89 PolarHBondContact O-N 2.83Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.38Å
90	F	34.8	Very low	36	Very low	165 Å²	165	134.2 Å²	134.2	72%	0.724	66%	0.657	S	S	*	*	H	α-helix	trans	-67.7	-38.8	174.6	-95.4	-92.1	0	0	0	112.7	K86 I87 K92 T93	K86-F90 WeakPolarHBondContact O-CD2 3.23Å; K86-F90 PolarHBondContact O-N 3.05Å; I87-F90 CarbonylContact O-C 3.35Å; I87-F90 PolarHBondContact O-N 3.16Å; I87-F90 VanDerWaalsContact O-N 3.07Å; F90-K92 PolarHBondContact O-N 3.13Å; F90-T93 PolarHBondContact O-N 3.18Å; F90-T93 VanDerWaalsContact O-N 3.13Å; F90-T93 VanDerWaalsContact O-O 3.09Å; F90-T93 PolarHBondContact O-OG1 3.18Å
91	T	32.9	Very low	35.1	Very low	102 Å²	102	137.5 Å²	137.5	63%	0.626	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	1.4	-177.8	51.7	0	0	0	0	115.4	I87 S88	I87-T91 HydrophobicContact CG2-CG2 4.09Å; I87-T91 WeakPolarHBondContact O-CG2 3.42Å; I87-T91 PolarHBondContact O-N 3.07Å; I87-T91 PolarHBondContact O-OG1 2.89Å; S88-T91 VanDerWaalsContact CA-OG1 3.32Å; S88-T91 WeakPolarHBondContact CA-OG1 3.19Å; S88-T91 PolarHBondContact O-OG1 2.8Å; S88-T91 VanDerWaalsContact O-OG1 3.07Å
92	K	36.5	Very low	34	Very low	193 Å²	193	142 Å²	142	84%	0.839	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-6.1	169.4	-80.2	-165.3	171.1	-169.9	0	113.8	F90	F90-K92 PolarHBondContact O-N 3.13Å
93	T	30.4	Very low	33.2	Very low	93 Å²	93	143 Å²	143	57%	0.571	69%	0.693	S	S	*	*	S	Bend	trans	-139.1	134.6	-178.9	49.4	0	0	0	0	111.3	F90	F90-T93 PolarHBondContact O-N 3.18Å; F90-T93 VanDerWaalsContact O-N 3.13Å; F90-T93 VanDerWaalsContact O-O 3.09Å; F90-T93 PolarHBondContact O-OG1 3.18Å
94	T	28.2	Very low	32.5	Very low	147 Å²	147	140.3 Å²	140.3	90%	0.902	69%	0.686	S	S	*	*	S	Bend	trans	64.9	166.8	179.9	80.2	0	0	0	0	116.4
95	S	28	Very low	31.9	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	69%	0.691	S	S	*	*			trans	-127.4	139.5	-155.6	46.4	0	0	0	0	113.3
96	F	25.3	Very low	31	Very low	182 Å²	182	142.2 Å²	142.2	80%	0.798	70%	0.703	S	S	*	*			trans	64.5	166.8	173.6	-84.8	-106.4	0	0	0	115.6
97	P	26.2	Very low	30.3	Very low	114 Å²	114	142.9 Å²	142.9	74%	0.74	71%	0.707	S	S	*	*			cis	-118.2	173.8	4.3	41.4	-29.7	0	0	0	116.2	R99	P97-R99 PolarHBondContact O-N 3.08Å; P97-R99 VanDerWaalsContact O-N 3.1Å
98	K	26.4	Very low	29.8	Very low	191 Å²	191	146.4 Å²	146.4	83%	0.83	72%	0.721	S	S	*	*			trans	-64.2	100.8	175.1	-61.5	167.5	-178.7	169.3	0	111.7
99	R	25.3	Very low	29.3	Very low	240 Å²	240	145.6 Å²	145.6	91%	0.906	72%	0.715	S	S	*	*			trans	-127.9	108.7	156.3	-98.4	-175.9	174.4	174.9	-0.9	110.3	P97	P97-R99 PolarHBondContact O-N 3.08Å; P97-R99 VanDerWaalsContact O-N 3.1Å
100	M	24.7	Very low	29	Very low	179 Å²	179	141.7 Å²	141.7	88%	0.882	71%	0.714	S	S	*	*			trans	-62.4	132.6	163	-79.6	174.7	151.8	0	0	109	R102	M100-R102 PolarHBondContact O-N 3.45Å; M100-R102 VanDerWaalsContact O-N 3.08Å
101	L	25.2	Very low	28.8	Very low	162 Å²	162	140.3 Å²	140.3	85%	0.848	71%	0.709	S	S	*	*			trans	-62.1	106.4	153.7	-81.3	160.9	0	0	0	107.2
102	R	25.3	Very low	28.6	Very low	197 Å²	197	139.9 Å²	139.9	74%	0.743	70%	0.701	S	S	*	*			trans	-74.2	135.2	172.8	-72.4	-179.4	170.9	179.1	-2.9	108	M100 S104	M100-R102 PolarHBondContact O-N 3.45Å; M100-R102 VanDerWaalsContact O-N 3.08Å; R102-S104 WeakPolarHBondContact CB-OG 3.31Å; R102-S104 PolarHBondContact O-N 3.13Å
103	L	31.3	Very low	28.5	Very low	124 Å²	124	134 Å²	134	65%	0.649	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-69.6	8.8	169.4	-98.1	79.4	0	0	0	113.5	D105 L106	L103-D105 PolarHBondContact O-N 3.04Å; L103-L106 HydrophobicContact CD2-CD1 4.46Å; L103-L106 HydrophobicContact CG-CD1 4.34Å; L103-L106 PolarHBondContact O-N 3.42Å
104	S	30	Very low	29	Very low	50 Å²	50	136.3 Å²	136.3	35%	0.35	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-57	-28.1	170.1	43.8	0	0	0	0	112.6	R102 L106 H107	R102-S104 WeakPolarHBondContact CB-OG 3.31Å; R102-S104 PolarHBondContact O-N 3.13Å; S104-L106 PolarHBondContact O-N 3.28Å; S104-L106 VanDerWaalsContact O-N 3.16Å; S104-H107 WeakPolarHBondContact O-CB 3.13Å; S104-H107 PolarHBondContact O-CD2 2.83Å; S104-H107 VanDerWaalsContact O-CD2 3.26Å; S104-H107 PolarHBondContact O-N 2.75Å; S104-H107 VanDerWaalsContact O-N 3.1Å
105	D	30.8	Very low	29.6	Very low	131 Å²	131	135.7 Å²	135.7	70%	0.701	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-83.3	5.5	-169.6	-51.8	3.7	0	0	0	111.6	L103	L103-D105 PolarHBondContact O-N 3.04Å
106	L	30.1	Very low	30.2	Very low	136 Å²	136	134.2 Å²	134.2	71%	0.712	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-103.9	9	168.8	-90.5	158.7	0	0	0	113	L103 S104	L103-L106 HydrophobicContact CD2-CD1 4.46Å; L103-L106 HydrophobicContact CG-CD1 4.34Å; L103-L106 PolarHBondContact O-N 3.42Å; S104-L106 PolarHBondContact O-N 3.28Å; S104-L106 VanDerWaalsContact O-N 3.16Å
107	H	27.6	Very low	31	Very low	146 Å²	146	130.9 Å²	130.9	68%	0.676	64%	0.636	S	S	*	*			trans	-71.9	149.9	166.5	-82.4	-75.9	0	0	0	111.6	S104	S104-H107 WeakPolarHBondContact O-CB 3.13Å; S104-H107 PolarHBondContact O-CD2 2.83Å; S104-H107 VanDerWaalsContact O-CD2 3.26Å; S104-H107 PolarHBondContact O-N 2.75Å; S104-H107 VanDerWaalsContact O-N 3.1Å
108	H	31	Very low	31.7	Very low	176 Å²	176	126.5 Å²	126.5	82%	0.815	61%	0.607	S	S	*	*			trans	91.2	76.5	-172.3	-56.5	85.8	0	0	0	114.8
109	C	27.7	Very low	32.4	Very low	45 Å²	45	125.8 Å²	125.8	30%	0.304	60%	0.603	S	S	.	*			trans	-141.6	121.4	151.6	-169.6	0	0	0	0	106.3	E24 H111 M112	E24-C109 PolarHBondContact OE2-SG 3.22Å; C109-H111 PolarHBondContact O-N 3.28Å; C109-M112 HydrophobicContact CB-CE 3.94Å; C109-M112 HydrophobicContact CB-CG 4.45Å; C109-M112 HydrophobicContact CB-SD 4.44Å; C109-M112 PolarHBondContact O-N 2.97Å
110	P	31.1	Very low	32.7	Very low	102 Å²	102	119.4 Å²	119.4	66%	0.662	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	16.4	-158.6	28.4	-36.7	0	0	0	116.4
111	H	31.1	Very low	33.1	Very low	136 Å²	136	113.4 Å²	113.4	63%	0.63	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	22.6	-178.3	-54.1	-48.7	0	0	0	113	C109	C109-H111 PolarHBondContact O-N 3.28Å
112	M	28.7	Very low	33.4	Very low	93 Å²	93	115.9 Å²	115.9	46%	0.458	55%	0.554	S	S	.	*			trans	-118.9	123.2	-178.6	-60.4	-164.5	-173.4	0	0	112.8	C109	C109-M112 HydrophobicContact CB-CE 3.94Å; C109-M112 HydrophobicContact CB-CG 4.45Å; C109-M112 HydrophobicContact CB-SD 4.44Å; C109-M112 PolarHBondContact O-N 2.97Å
113	T	35.1	Very low	33.8	Very low	68 Å²	68	115.7 Å²	115.7	42%	0.417	56%	0.558	S	S	.	*			trans	-94.5	-43	177.3	21.6	0	0	0	0	114.6	L147	T113-L147 HydrophobicContact CG2-CD1 3.99Å; T113-L147 HydrophobicContact CG2-CD2 3.62Å; T113-L147 HydrophobicContact CG2-CG 3.56Å
114	K	39.1	Very low	33.7	Very low	142 Å²	142	114.7 Å²	114.7	62%	0.617	56%	0.561	S	S	*	*			trans	-165.1	146.8	171.6	-95.6	124.1	-173.2	174.7	0	111.5	H116	K114-H116 WeakPolarHBondContact CB-NE2 3.39Å
115	W	41.2	Very low	33.6	Very low	134 Å²	134	116.4 Å²	116.4	51%	0.508	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	128.2	158.2	-77.5	96.1	0	0	0	108.8	Y142 K144	W115-Y142 HydrophobicContact CE3-CD1 4.09Å; W115-Y142 HydrophobicContact CE3-CG 4.39Å; W115-Y142 HydrophobicContact CZ3-CD1 4.41Å; W115-Y142 HydrophobicContact CZ3-CG 4.36Å; W115-K144 HydrophobicContact CH2-CD 4.41Å; W115-K144 HydrophobicContact CZ3-CB 4.4Å
116	H	41.4	Very low	33.6	Very low	71 Å²	71	115 Å²	115	33%	0.329	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	111.3	177.4	-72.8	-69.7	0	0	0	111.2	K114 L118 L143	K114-H116 WeakPolarHBondContact CB-NE2 3.39Å; H116-L118 PolarHBondContact O-N 3.31Å; H116-L143 HydrophobicContact CB-CB 4.1Å; H116-L143 PolarHBondContact N-O 3.34Å; H116-L143 PolarHBondContact O-N 2.7Å
117	L	42.2	Very low	33.7	Very low	111 Å²	111	116 Å²	116	58%	0.581	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.6	111.3	172.5	-180	65.4	0	0	0	110	K119 L140 Y142	L117-K119 PolarHBondContact O-N 3.03Å; L117-L140 HydrophobicContact CD1-CD2 4.49Å; L117-Y142 HydrophobicContact CD1-CE1 4.46Å
118	L	40.2	Very low	33.7	Very low	23 Å²	23	113 Å²	113	12%	0.12	58%	0.579	C	S	.	*			trans	-79.4	77.3	173.4	-73.5	172.6	0	0	0	110.2	H116 L141 L143 F188 F191	H116-L118 PolarHBondContact O-N 3.31Å; L118-L141 HydrophobicContact CB-CB 3.78Å; L118-L141 HydrophobicContact CD1-CB 4.29Å; L118-L141 PolarHBondContact N-O 3.41Å; L118-L143 HydrophobicContact CD1-CB 4.39Å; L118-L143 HydrophobicContact CD1-CD1 3.77Å; L118-L143 HydrophobicContact CD1-CG 3.87Å; L118-L143 HydrophobicContact CD2-CD1 4.33Å; L118-L143 HydrophobicContact CG-CD1 4.27Å; L118-L143 HydrophobicContact CG-CG 4.5Å; L118-F188 HydrophobicContact CD2-CE2 4.29Å; L118-F188 HydrophobicContact CD2-CZ 4.01Å; L118-F191 HydrophobicContact CD1-CD1 3.75Å; L118-F191 HydrophobicContact CD1-CE1 3.58Å
119	K	41.1	Very low	33.5	Very low	176 Å²	176	111.8 Å²	111.8	77%	0.765	58%	0.578	S	S	*	*			trans	13.7	109.6	162.8	-159.1	171.5	-169.8	172.1	0	116.8	L117 S121	L117-K119 PolarHBondContact O-N 3.03Å; K119-S121 PolarHBondContact O-N 3.19Å
120	Y	31.5	Very low	33.4	Very low	105 Å²	105	120.7 Å²	120.7	41%	0.412	61%	0.605	S	S	.	*			trans	-24.5	118.5	170.6	-131.7	-91.3	0	0	0	114.8	R122 P136 G138 L140	Y120-R122 HydrophobicContact CD1-CG 4.22Å; Y120-R122 PolarHBondContact O-N 3.37Å; Y120-P136 PolarHBondContact OH-O 3.12Å; Y120-G138 PolarHBondContact OH-N 3.34Å; Y120-L140 HydrophobicContact CD2-CD2 4.14Å; Y120-L140 HydrophobicContact CE2-CD2 3.96Å
121	S	33.5	Very low	33.2	Very low	54 Å²	54	123.8 Å²	123.8	38%	0.378	62%	0.616	S	S	.	*			trans	-75	112	166.1	-174.3	0	0	0	0	109.4	K119	K119-S121 PolarHBondContact O-N 3.19Å
122	R	32.3	Very low	32.9	Very low	213 Å²	213	121 Å²	121	80%	0.804	62%	0.616	S	S	*	*			trans	-102.9	22.3	168.3	-70.5	-174.4	170.2	-175.9	-3.5	112.1	Y120	Y120-R122 HydrophobicContact CD1-CG 4.22Å; Y120-R122 PolarHBondContact O-N 3.37Å
123	K	32.2	Very low	32.7	Very low	193 Å²	193	126.9 Å²	126.9	84%	0.839	64%	0.639	S	S	*	*			trans	-124.5	11.6	-166	-74.8	-159.9	170.4	-166.2	0	115.2
124	C	30	Very low	32.2	Very low	104 Å²	104	131.1 Å²	131.1	70%	0.703	66%	0.659	S	S	*	*	S	Bend	trans	-88.1	-16.2	170.1	-61.4	0	0	0	0	112.4
125	D	28.8	Very low	31.7	Very low	86 Å²	86	133 Å²	133	46%	0.46	67%	0.668	S	S	.	*			trans	-103	4.3	-152.4	-39.7	-58.9	0	0	0	114.2	L127 A128	D125-L127 PolarHBondContact O-N 3.39Å; D125-A128 PolarHBondContact O-N 3.16Å; D125-A128 VanDerWaalsContact O-N 3.13Å
126	A	30.7	Very low	31	Very low	102 Å²	102	131.4 Å²	131.4	84%	0.843	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	22.3	-173.3	0	0	0	0	0	115.5
127	L	30.5	Very low	30.5	Very low	155 Å²	155	133.2 Å²	133.2	81%	0.812	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.5	4.8	177.9	-94.3	167.9	0	0	0	112.7	D125	D125-L127 PolarHBondContact O-N 3.39Å
128	A	28.6	Very low	30.2	Very low	85 Å²	85	128.9 Å²	128.9	70%	0.702	67%	0.668	S	S	*	*			trans	-112.4	16.5	-176.8	0	0	0	0	0	113.3	D125	D125-A128 PolarHBondContact O-N 3.16Å; D125-A128 VanDerWaalsContact O-N 3.13Å
129	D	26.8	Very low	30	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	69%	0.693	S	S	*	*			trans	-75.7	149.7	174.2	-119.4	-39.1	0	0	0	111.2
130	R	26.2	Very low	29.9	Very low	232 Å²	232	129.2 Å²	129.2	88%	0.875	67%	0.666	S	S	*	*	S	Bend	trans	71.2	66	-177	-48.1	176.9	-179.7	-169.7	-1.2	116.6
131	L	25.9	Very low	30.1	Very low	168 Å²	168	125.5 Å²	125.5	88%	0.88	65%	0.653	S	S	*	*	S	Bend		-175.8	124.1	121.6	-97.2	158.7	0	0	0	112.3
132	A	25.5	Very low	30.6	Very low	76 Å²	76	125.6 Å²	125.6	63%	0.628	65%	0.645	S	S	*	*	S	Bend	trans	42.9	108	161.5	0	0	0	0	0	121	N134	A132-N134 PolarHBondContact O-N 2.83Å; A132-N134 VanDerWaalsContact O-N 3.13Å
133	F	23.9	Very low	31	Very low	217 Å²	217	115.6 Å²	115.6	95%	0.952	61%	0.608	S	S	*	*			trans	64.3	14.2	141.1	-78.2	-77.4	0	0	0	122.2
134	N	25.5	Very low	31.7	Very low	158 Å²	158	109.5 Å²	109.5	85%	0.845	58%	0.581	S	S	*	*			trans	-83.3	127.1	168.1	-80.3	-53.7	0	0	0	113.3	A132	A132-N134 PolarHBondContact O-N 2.83Å; A132-N134 VanDerWaalsContact O-N 3.13Å
135	K	28.8	Very low	32.2	Very low	181 Å²	181	109.4 Å²	109.4	79%	0.787	57%	0.57	S	S	*	*			trans	-85.6	133.8	169.2	-78.5	179.3	178.2	171.3	0	110	L137	K135-L137 PolarHBondContact O-N 3.44Å; K135-L137 VanDerWaalsContact O-N 3.12Å
136	P	26.2	Very low	32.8	Very low	101 Å²	101	108 Å²	108	66%	0.656	56%	0.56	S	S	*	*			trans	-74.1	105.4	-178.2	29.4	-34.3	0	0	0	111	Y120	Y120-P136 PolarHBondContact OH-O 3.12Å
137	L	30.5	Very low	32.8	Very low	109 Å²	109	107.2 Å²	107.2	57%	0.571	54%	0.542	S	S	*	.			trans	-104.6	87.3	-179	-71.2	167.4	0	0	0	109.8	K135 H176	K135-L137 PolarHBondContact O-N 3.44Å; K135-L137 VanDerWaalsContact O-N 3.12Å; L137-H176 WeakPolarHBondContact CB-NE2 3.38Å; L137-H176 VanDerWaalsContact CD1-CE1 3.49Å; L137-H176 WeakPolarHBondContact CD1-CE1 3.38Å; L137-H176 VanDerWaalsContact CD1-NE2 3.35Å; L137-H176 WeakPolarHBondContact CD1-NE2 3.5Å
138	G	34.6	Very low	32.8	Very low	20 Å²	20	106.7 Å²	106.7	21%	0.206	53%	0.533	C	S	.	.			trans	-74.1	147.6	-173.2	0	0	0	0	0	114.3	Y120	Y120-G138 PolarHBondContact OH-N 3.34Å
139	R	36.4	Very low	32.9	Very low	170 Å²	170	105.1 Å²	105.1	64%	0.642	52%	0.516	S	S	*	.			trans	-56.3	135.7	168.4	-64.2	178.3	-179.8	166.3	1.7	110.4
140	L	38.8	Very low	33.3	Very low	36 Å²	36	101.1 Å²	101.1	19%	0.188	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116	178	-63	178.5	0	0	0	109.8	L117 Y120 Y142 V173 V175	L117-L140 HydrophobicContact CD1-CD2 4.49Å; Y120-L140 HydrophobicContact CD2-CD2 4.14Å; Y120-L140 HydrophobicContact CE2-CD2 3.96Å; L140-Y142 HydrophobicContact CB-CD2 4.23Å; L140-Y142 HydrophobicContact CB-CE2 3.53Å; L140-Y142 HydrophobicContact CD1-CE2 4.28Å; L140-V173 PolarHBondContact N-O 3.16Å; L140-V173 VanDerWaalsContact N-O 3.1Å; L140-V173 PolarHBondContact O-N 2.03Å; L140-V175 HydrophobicContact CB-CG2 4.42Å; L140-V175 HydrophobicContact CD1-CG2 3.62Å; L140-V175 HydrophobicContact CG-CG2 3.75Å
141	L	37	Very low	33.3	Very low	26 Å²	26	91.9 Å²	91.9	14%	0.136	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123	170.5	-74.1	98.8	0	0	0	110	L118 V172 F191 F197	L118-L141 HydrophobicContact CB-CB 3.78Å; L118-L141 HydrophobicContact CD1-CB 4.29Å; L118-L141 PolarHBondContact N-O 3.41Å; L141-V172 HydrophobicContact CD2-CG2 4Å; L141-V172 HydrophobicContact CG-CG2 4.13Å; L141-F191 HydrophobicContact CD2-CE1 4.01Å; L141-F191 HydrophobicContact CD2-CZ 4.05Å; L141-F197 HydrophobicContact CD1-CE2 4.21Å; L141-F197 HydrophobicContact CD1-CZ 4.23Å; L141-F197 HydrophobicContact CD2-CE2 4.17Å
142	Y	43.3	Very low	33.3	Very low	57 Å²	57	96.1 Å²	96.1	22%	0.224	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.5	173.5	-63.4	-96.1	0	0	0	108.7	W115 L117 L140 V171 V173	W115-Y142 HydrophobicContact CE3-CD1 4.09Å; W115-Y142 HydrophobicContact CE3-CG 4.39Å; W115-Y142 HydrophobicContact CZ3-CD1 4.41Å; W115-Y142 HydrophobicContact CZ3-CG 4.36Å; L117-Y142 HydrophobicContact CD1-CE1 4.46Å; L140-Y142 HydrophobicContact CB-CD2 4.23Å; L140-Y142 HydrophobicContact CB-CE2 3.53Å; L140-Y142 HydrophobicContact CD1-CE2 4.28Å; Y142-V171 PolarHBondContact N-O 3.32Å; Y142-V171 PolarHBondContact O-N 2.91Å; Y142-V171 VanDerWaalsContact O-O 3.13Å; Y142-V173 HydrophobicContact CD2-CB 4.29Å; Y142-V173 HydrophobicContact CD2-CG2 3.71Å; Y142-V173 HydrophobicContact CE2-CB 4.03Å; Y142-V173 HydrophobicContact CE2-CG2 3.76Å
143	L	40.5	Very low	33.5	Very low	3 Å²	3	95.4 Å²	95.4	2%	0.016	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.2	166.2	-108.6	174.3	0	0	0	109.7	H116 L118 C168 F188 F191	H116-L143 HydrophobicContact CB-CB 4.1Å; H116-L143 PolarHBondContact N-O 3.34Å; H116-L143 PolarHBondContact O-N 2.7Å; L118-L143 HydrophobicContact CD1-CB 4.39Å; L118-L143 HydrophobicContact CD1-CD1 3.77Å; L118-L143 HydrophobicContact CD1-CG 3.87Å; L118-L143 HydrophobicContact CD2-CD1 4.33Å; L118-L143 HydrophobicContact CG-CD1 4.27Å; L118-L143 HydrophobicContact CG-CG 4.5Å; L143-C168 HydrophobicContact CD2-CB 4.34Å; L143-F188 HydrophobicContact CD1-CB 4.48Å; L143-F188 HydrophobicContact CD1-CD2 3.33Å; L143-F188 HydrophobicContact CD1-CE2 3.6Å; L143-F188 HydrophobicContact CD1-CG 3.98Å; L143-F188 HydrophobicContact CD1-CZ 4.45Å; L143-F191 HydrophobicContact CD1-CD1 3.98Å; L143-F191 HydrophobicContact CD2-CB 4.48Å; L143-F191 HydrophobicContact CD2-CD1 4.09Å; L143-F191 HydrophobicContact CD2-CG 4.34Å; L143-F191 HydrophobicContact CG-CD1 3.88Å; L143-F191 HydrophobicContact CG-CE1 4.38Å
144	K	46.6	Very low	33.8	Very low	65 Å²	65	87.9 Å²	87.9	28%	0.283	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.3	171.5	-173.9	174.3	-179.6	-178.7	0	108.5	W115 F146 C169	W115-K144 HydrophobicContact CH2-CD 4.41Å; W115-K144 HydrophobicContact CZ3-CB 4.4Å; K144-F146 HydrophobicContact CD-CE1 3.85Å; K144-F146 HydrophobicContact CD-CZ 3.74Å; K144-F146 VanDerWaalsContact CE-CE1 3.47Å; K144-F146 HydrophobicContact CG-CE1 4.23Å; K144-F146 HydrophobicContact CG-CE2 4.27Å; K144-F146 HydrophobicContact CG-CZ 3.98Å; K144-C169 PolarHBondContact N-O 3.48Å; K144-C169 PolarHBondContact O-N 2.93Å
145	Q	41.2	Very low	34	Very low	102 Å²	102	84.8 Å²	84.8	48%	0.477	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.4	166.6	-173.4	172.9	3.1	0	0	108.1
146	F	41.4	Very low	34.4	Very low	55 Å²	55	82.7 Å²	82.7	24%	0.241	43%	0.432	C	S	.	.			trans	-98.3	148.2	179	-62.7	-92.3	0	0	0	110.8	K144 F148 I150 N167 C169	K144-F146 HydrophobicContact CD-CE1 3.85Å; K144-F146 HydrophobicContact CD-CZ 3.74Å; K144-F146 VanDerWaalsContact CE-CE1 3.47Å; K144-F146 HydrophobicContact CG-CE1 4.23Å; K144-F146 HydrophobicContact CG-CE2 4.27Å; K144-F146 HydrophobicContact CG-CZ 3.98Å; F146-F148 WeakPolarHBondContact CB-O 3.44Å; F146-I150 HydrophobicContact CD1-CD1 4.19Å; F146-I150 HydrophobicContact CD1-CG1 4.5Å; F146-I150 HydrophobicContact CD2-CD1 3.97Å; F146-I150 HydrophobicContact CD2-CG1 4.33Å; F146-I150 HydrophobicContact CE1-CD1 3.92Å; F146-I150 HydrophobicContact CE2-CD1 3.71Å; F146-I150 HydrophobicContact CG-CD1 4.21Å; F146-I150 HydrophobicContact CG-CG1 4.32Å; F146-I150 HydrophobicContact CZ-CD1 3.69Å; F146-N167 PolarHBondContact N-O 2.89Å; F146-N167 VanDerWaalsContact N-O 3.08Å; F146-C169 HydrophobicContact CE2-CB 3.58Å; F146-C169 HydrophobicContact CZ-CB 4.05Å
147	L	31.6	Very low	34.8	Very low	87 Å²	87	79.5 Å²	79.5	46%	0.455	41%	0.41	S	S	.	.	S	Bend	trans	-70.3	-22.9	173.2	-101	161.3	0	0	0	112.9	T113	T113-L147 HydrophobicContact CG2-CD1 3.99Å; T113-L147 HydrophobicContact CG2-CD2 3.62Å; T113-L147 HydrophobicContact CG2-CG 3.56Å
148	F	29.7	Very low	35.2	Very low	144 Å²	144	79 Å²	79	63%	0.632	41%	0.413	S	S	*	.	S	Bend	trans	-135.2	148.5	-179.7	-58.5	-80.4	0	0	0	108.4	F146	F146-F148 WeakPolarHBondContact CB-O 3.44Å
149	P	31.4	Very low	35.4	Very low	52 Å²	52	83 Å²	83	34%	0.338	43%	0.43	S	S	.	.			trans	-57.9	147.5	171.3	25.5	-35.6	0	0	0	111.2	G151 E165 N167	P149-G151 PolarHBondContact O-N 3.04Å; P149-E165 HydrophobicContact CB-CB 3.52Å; P149-E165 HydrophobicContact CB-CG 4.03Å; P149-E165 WeakPolarHBondContact CB-OE1 3.41Å; P149-E165 WeakPolarHBondContact CB-OE2 3.45Å; P149-E165 VanDerWaalsContact CG-OE1 3.31Å; P149-E165 WeakPolarHBondContact CG-OE1 3.13Å; P149-E165 WeakPolarHBondContact CG-OE2 3.26Å; P149-N167 VanDerWaalsContact CA-OD1 3.29Å; P149-N167 WeakPolarHBondContact CA-OD1 3.32Å; P149-N167 WeakPolarHBondContact CB-OD1 3.46Å
150	I	34.1	Very low	35.7	Very low	64 Å²	64	76.1 Å²	76.1	33%	0.328	41%	0.408	S	S	.	.			trans	-81.7	50.4	168.2	-47.4	-172.9	0	0	0	109.3	F146 R152 A153 V166	F146-I150 HydrophobicContact CD1-CD1 4.19Å; F146-I150 HydrophobicContact CD1-CG1 4.5Å; F146-I150 HydrophobicContact CD2-CD1 3.97Å; F146-I150 HydrophobicContact CD2-CG1 4.33Å; F146-I150 HydrophobicContact CE1-CD1 3.92Å; F146-I150 HydrophobicContact CE2-CD1 3.71Å; F146-I150 HydrophobicContact CG-CD1 4.21Å; F146-I150 HydrophobicContact CG-CG1 4.32Å; F146-I150 HydrophobicContact CZ-CD1 3.69Å; I150-R152 PolarHBondContact O-N 2.78Å; I150-A153 HydrophobicContact CG2-CB 3.81Å; I150-V166 PolarHBondContact N-O 3.43Å
151	G	26	Very low	35.7	Very low	39 Å²	39	82.5 Å²	82.5	40%	0.402	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	15.2	-160.1	0	0	0	0	0	117.5	P149 E165	P149-G151 PolarHBondContact O-N 3.04Å; G151-E165 WeakPolarHBondContact CA-OE1 3.34Å
152	R	27.5	Very low	35.7	Very low	256 Å²	256	89.3 Å²	89.3	97%	0.966	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	12.2	169.5	-73	-163.1	177.7	-171.7	0.2	114.5	I150	I150-R152 PolarHBondContact O-N 2.78Å
153	A	29.6	Very low	35.5	Very low	61 Å²	61	89.6 Å²	89.6	50%	0.504	48%	0.482	S	S	.	.	S	Bend	trans	-104.6	16.9	-174.4	0	0	0	0	0	115.1	I150 L155	I150-A153 HydrophobicContact CG2-CB 3.81Å; A153-L155 VanDerWaalsContact C-N 3.29Å; A153-L155 PolarHBondContact O-N 2.88Å
154	G	29.6	Very low	35.7	Very low	59 Å²	59	95.8 Å²	95.8	61%	0.608	51%	0.509	S	S	*	.			trans	73.5	4.6	171.2	0	0	0	0	0	117	I156	G154-I156 VanDerWaalsContact C-N 3.26Å; G154-I156 PolarHBondContact O-N 3.3Å
155	L	30.3	Very low	35.6	Very low	94 Å²	94	97.6 Å²	97.6	49%	0.492	52%	0.519	S	S	.	.			trans	-78.9	70.1	176.2	-71.3	172.8	0	0	0	111.8	A153 V166	A153-L155 VanDerWaalsContact C-N 3.29Å; A153-L155 PolarHBondContact O-N 2.88Å; L155-V166 VanDerWaalsContact O-CG2 3.27Å; L155-V166 WeakPolarHBondContact O-CG2 3.39Å
156	I	35.4	Very low	35.8	Very low	137 Å²	137	93.1 Å²	93.1	70%	0.703	50%	0.498	S	S	*	.			trans	-87	124.1	168.7	-56.2	175.2	0	0	0	108.2	G154	G154-I156 VanDerWaalsContact C-N 3.26Å; G154-I156 PolarHBondContact O-N 3.3Å
157	T	36.1	Very low	36	Very low	33 Å²	33	93.7 Å²	93.7	20%	0.202	50%	0.504	C	S	.	.			trans	-71.4	124.2	165.6	32.1	0	0	0	0	108.8	N159 S160 E186	T157-N159 PolarHBondContact O-N 3.06Å; T157-S160 WeakPolarHBondContact O-CB 3.45Å; T157-S160 PolarHBondContact O-N 2.95Å; T157-S160 WeakPolarHBondContact OG1-CB 3.47Å; T157-E186 WeakPolarHBondContact CB-OE1 3.27Å; T157-E186 PolarHBondContact OG1-OE1 3.39Å
158	P	37.4	Very low	36.8	Very low	98 Å²	98	90 Å²	90	64%	0.636	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.3	-172.9	23.4	-33.6	0	0	0	114.6	Y219	P158-Y219 WeakPolarHBondContact CB-O 3.39Å
159	N	39.5	Very low	37.6	Very low	104 Å²	104	84.1 Å²	84.1	56%	0.556	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	10.3	179	-58.6	11.2	0	0	0	112.8	T157 E161	T157-N159 PolarHBondContact O-N 3.06Å; N159-E161 PolarHBondContact O-N 3.34Å
160	S	42.5	Very low	38.3	Very low	26 Å²	26	81.6 Å²	81.6	18%	0.182	45%	0.446	C	S	.	.			trans	-77.4	97.6	174.7	152	0	0	0	0	110.4	T157 Y162 G163 K164	T157-S160 WeakPolarHBondContact O-CB 3.45Å; T157-S160 PolarHBondContact O-N 2.95Å; T157-S160 WeakPolarHBondContact OG1-CB 3.47Å; S160-Y162 PolarHBondContact O-N 3.33Å; S160-G163 PolarHBondContact O-N 2.89Å; S160-G163 PolarHBondContact OG-N 3.23Å; S160-K164 PolarHBondContact OG-N 3.43Å
161	E	39.5	Very low	38.8	Very low	171 Å²	171	79.5 Å²	79.5	80%	0.799	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-14.9	179.7	-64	178.6	141.8	0	0	115.5	N159	N159-E161 PolarHBondContact O-N 3.34Å
162	Y	36.6	Very low	39.7	Very low	168 Å²	168	79 Å²	79	66%	0.659	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.5	19.3	-171.3	-67.9	-85	0	0	0	114	S160 K164	S160-Y162 PolarHBondContact O-N 3.33Å; Y162-K164 PolarHBondContact O-N 2.99Å; Y162-K164 VanDerWaalsContact O-N 3.1Å
163	G	39.4	Very low	40.3	Very low	63 Å²	63	68.4 Å²	68.4	65%	0.649	39%	0.388	S	S	*	.			trans	53.7	31.3	-178.5	0	0	0	0	0	114.7	S160	S160-G163 PolarHBondContact O-N 2.89Å; S160-G163 PolarHBondContact OG-N 3.23Å
164	K	44.1	Very low	40.8	Very low	134 Å²	134	66.8 Å²	66.8	58%	0.583	37%	0.371	S	S	*	.			trans	-72.3	130.9	-166.8	-80.5	169.2	178.1	161	0	111.6	S160 Y162	S160-K164 PolarHBondContact OG-N 3.43Å; Y162-K164 PolarHBondContact O-N 2.99Å; Y162-K164 VanDerWaalsContact O-N 3.1Å
165	E	44.9	Very low	41	Very low	102 Å²	102	68 Å²	68	48%	0.477	37%	0.367	S	S	.	.			trans	-64.9	137.9	-176.5	-59.6	-178.4	105.7	0	0	112.8	P149 G151 N167	P149-E165 HydrophobicContact CB-CB 3.52Å; P149-E165 HydrophobicContact CB-CG 4.03Å; P149-E165 WeakPolarHBondContact CB-OE1 3.41Å; P149-E165 WeakPolarHBondContact CB-OE2 3.45Å; P149-E165 VanDerWaalsContact CG-OE1 3.31Å; P149-E165 WeakPolarHBondContact CG-OE1 3.13Å; P149-E165 WeakPolarHBondContact CG-OE2 3.26Å; G151-E165 WeakPolarHBondContact CA-OE1 3.34Å; E165-N167 PolarHBondContact O-N 2.84Å; E165-N167 VanDerWaalsContact O-N 3.13Å
166	V	45.3	Very low	41.2	Very low	9 Å²	9	69.8 Å²	69.8	6%	0.055	37%	0.372	C	S	.	.			trans	-77.3	102.6	-178.3	-179.7	0	0	0	0	110.4	I150 L155 C168 P184	I150-V166 PolarHBondContact N-O 3.43Å; L155-V166 VanDerWaalsContact O-CG2 3.27Å; L155-V166 WeakPolarHBondContact O-CG2 3.39Å; V166-C168 WeakPolarHBondContact CG1-O 3.42Å; V166-P184 HydrophobicContact CG1-CB 3.84Å
167	N	46.6	Very low	41.1	Very low	67 Å²	67	70.7 Å²	70.7	36%	0.358	37%	0.371	S	S	.	.			trans	-93.7	-7.7	-177.2	-70.8	-38.1	0	0	0	114.4	F146 P149 E165	F146-N167 PolarHBondContact N-O 2.89Å; F146-N167 VanDerWaalsContact N-O 3.08Å; P149-N167 VanDerWaalsContact CA-OD1 3.29Å; P149-N167 WeakPolarHBondContact CA-OD1 3.32Å; P149-N167 WeakPolarHBondContact CB-OD1 3.46Å; E165-N167 PolarHBondContact O-N 2.84Å; E165-N167 VanDerWaalsContact O-N 3.13Å
168	C	46.4	Very low	40.7	Very low	9 Å²	9	72 Å²	72	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.4	179.1	-69.1	0	0	0	0	112.4	L143 V166 A185	L143-C168 HydrophobicContact CD2-CB 4.34Å; V166-C168 WeakPolarHBondContact CG1-O 3.42Å; C168-A185 HydrophobicContact CB-CB 4.35Å; C168-A185 WeakPolarHBondContact CB-O 2.99Å; C168-A185 PolarHBondContact N-O 3.06Å; C168-A185 PolarHBondContact O-N 2.96Å; C168-A185 VanDerWaalsContact O-O 3.11Å
169	C	48	Very low	40.3	Very low	20 Å²	20	71.9 Å²	71.9	14%	0.135	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126	165.6	-179.8	0	0	0	0	109.9	K144 F146 S182 Y183	K144-C169 PolarHBondContact N-O 3.48Å; K144-C169 PolarHBondContact O-N 2.93Å; F146-C169 HydrophobicContact CE2-CB 3.58Å; F146-C169 HydrophobicContact CZ-CB 4.05Å; C169-S182 VanDerWaalsContact SG-CB 3.55Å; C169-Y183 WeakPolarHBondContact CA-O 3.26Å; C169-Y183 PolarHBondContact SG-O 2.92Å
170	G	46.3	Very low	40.1	Very low	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.8	170.3	0	0	0	0	0	110.1	S182 Y183	G170-S182 CarbonylContact O-C 3.5Å; G170-S182 WeakPolarHBondContact O-CA 3.01Å; G170-Y183 PolarHBondContact N-O 2.86Å; G170-Y183 PolarHBondContact O-N 3.06Å
171	V	44.9	Very low	39.8	Very low	20 Å²	20	72.1 Å²	72.1	12%	0.121	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.5	-179.6	-177.8	0	0	0	0	108.8	Y142 V173 V180 T181	Y142-V171 PolarHBondContact N-O 3.32Å; Y142-V171 PolarHBondContact O-N 2.91Å; Y142-V171 VanDerWaalsContact O-O 3.13Å; V171-V173 HydrophobicContact CG1-CG2 4.16Å; V171-V180 HydrophobicContact CG1-CG1 3.49Å; V171-V180 VanDerWaalsContact CG1-CG1 3.49Å; V171-T181 WeakPolarHBondContact CA-O 3.44Å
172	V	43.1	Very low	39.9	Very low	27 Å²	27	68 Å²	68	16%	0.164	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.4	173.4	-174.7	0	0	0	0	108.1	L141 V180 T181 Y183	L141-V172 HydrophobicContact CD2-CG2 4Å; L141-V172 HydrophobicContact CG-CG2 4.13Å; V172-V180 WeakPolarHBondContact O-CA 3.4Å; V172-T181 PolarHBondContact N-O 2.8Å; V172-T181 PolarHBondContact O-N 3.19Å; V172-Y183 HydrophobicContact CB-CE2 4.39Å; V172-Y183 HydrophobicContact CG2-CD2 4.18Å; V172-Y183 HydrophobicContact CG2-CE2 3.74Å
173	V	40.1	Very low	40.4	Very low	34 Å²	34	65.4 Å²	65.4	21%	0.206	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.2	176.1	-178.4	0	0	0	0	109	L140 Y142 V171 V175 L179 V180	L140-V173 PolarHBondContact N-O 3.16Å; L140-V173 VanDerWaalsContact N-O 3.1Å; L140-V173 PolarHBondContact O-N 2.03Å; Y142-V173 HydrophobicContact CD2-CB 4.29Å; Y142-V173 HydrophobicContact CD2-CG2 3.71Å; Y142-V173 HydrophobicContact CE2-CB 4.03Å; Y142-V173 HydrophobicContact CE2-CG2 3.76Å; V171-V173 HydrophobicContact CG1-CG2 4.16Å; V173-V175 PolarHBondContact O-N 3.42Å; V173-L179 WeakPolarHBondContact CA-O 3.48Å; V173-V180 HydrophobicContact CG2-CG2 4.44Å
174	D	39.8	Very low	40.7	Very low	28 Å²	28	64.8 Å²	64.8	15%	0.15	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	106.8	165.2	-167.9	-48.9	0	0	0	108.8	H176 K177 G178 L179	D174-H176 PolarHBondContact O-N 3Å; D174-H176 WeakPolarHBondContact OD1-CB 3.28Å; D174-H176 PolarHBondContact OD1-N 3.44Å; D174-K177 HydrophobicContact CB-CB 4.12Å; D174-K177 PolarHBondContact O-N 2.63Å; D174-K177 PolarHBondContact OD1-N 2.04Å; D174-G178 PolarHBondContact O-N 3.18Å; D174-L179 HydrophobicContact CB-CB 3.98Å; D174-L179 PolarHBondContact N-O 3.4Å; D174-L179 PolarHBondContact O-N 2.88Å
175	V	35.5	Very low	41.1	Very low	84 Å²	84	58.5 Å²	58.5	51%	0.509	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.1	-175.5	-170.8	0	0	0	0	112.2	L140 V173	L140-V175 HydrophobicContact CB-CG2 4.42Å; L140-V175 HydrophobicContact CD1-CG2 3.62Å; L140-V175 HydrophobicContact CG-CG2 3.75Å; V173-V175 PolarHBondContact O-N 3.42Å
176	H	33.5	Very low	41.4	Very low	132 Å²	132	56.8 Å²	56.8	61%	0.611	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-36.6	176.8	-77.3	-78.7	0	0	0	112.8	L137 D174	L137-H176 WeakPolarHBondContact CB-NE2 3.38Å; L137-H176 VanDerWaalsContact CD1-CE1 3.49Å; L137-H176 WeakPolarHBondContact CD1-CE1 3.38Å; L137-H176 VanDerWaalsContact CD1-NE2 3.35Å; L137-H176 WeakPolarHBondContact CD1-NE2 3.5Å; D174-H176 PolarHBondContact O-N 3Å; D174-H176 WeakPolarHBondContact OD1-CB 3.28Å; D174-H176 PolarHBondContact OD1-N 3.44Å
177	K	32.7	Very low	41.9	Very low	155 Å²	155	58.8 Å²	58.8	67%	0.674	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.2	-175.6	-58.6	-168	178.9	-157.4	0	114	D174 L179	D174-K177 HydrophobicContact CB-CB 4.12Å; D174-K177 PolarHBondContact O-N 2.63Å; D174-K177 PolarHBondContact OD1-N 2.04Å; K177-L179 HydrophobicContact CB-CB 3.97Å; K177-L179 PolarHBondContact O-N 3.29Å; K177-L179 VanDerWaalsContact O-N 3.1Å
178	G	29.1	Very low	42.1	Very low	61 Å²	61	59.5 Å²	59.5	63%	0.629	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	12.4	-168	0	0	0	0	0	113.1	D174 V180	D174-G178 PolarHBondContact O-N 3.18Å; G178-V180 PolarHBondContact O-N 2.79Å
179	L	27.6	Very low	42.7	Very low	96 Å²	96	64.4 Å²	64.4	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.6	-169.6	-170.3	78.8	0	0	0	109.3	V173 D174 K177 T181	V173-L179 WeakPolarHBondContact CA-O 3.48Å; D174-L179 HydrophobicContact CB-CB 3.98Å; D174-L179 PolarHBondContact N-O 3.4Å; D174-L179 PolarHBondContact O-N 2.88Å; K177-L179 HydrophobicContact CB-CB 3.97Å; K177-L179 PolarHBondContact O-N 3.29Å; K177-L179 VanDerWaalsContact O-N 3.1Å; L179-T181 HydrophobicContact CD2-CG2 3.98Å; L179-T181 HydrophobicContact CG-CG2 4.07Å
180	V	35.6	Very low	43.2	Very low	92 Å²	92	65.6 Å²	65.6	56%	0.558	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.6	175.5	-175.8	0	0	0	0	107.9	V171 V172 V173 G178	V171-V180 HydrophobicContact CG1-CG1 3.49Å; V171-V180 VanDerWaalsContact CG1-CG1 3.49Å; V172-V180 WeakPolarHBondContact O-CA 3.4Å; V173-V180 HydrophobicContact CG2-CG2 4.44Å; G178-V180 PolarHBondContact O-N 2.79Å
181	T	37.1	Very low	43.5	Very low	42 Å²	42	65.9 Å²	65.9	26%	0.258	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.8	173.8	56.6	0	0	0	0	111.3	V171 V172 L179 Y183	V171-T181 WeakPolarHBondContact CA-O 3.44Å; V172-T181 PolarHBondContact N-O 2.8Å; V172-T181 PolarHBondContact O-N 3.19Å; L179-T181 HydrophobicContact CD2-CG2 3.98Å; L179-T181 HydrophobicContact CG-CG2 4.07Å; T181-Y183 WeakPolarHBondContact OG1-CE2 3.21Å; T181-Y183 PolarHBondContact OG1-OH 2.87Å
182	S	41.8	Very low	44	Very low	86 Å²	86	69.1 Å²	69.1	60%	0.601	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.7	-177	40.6	0	0	0	0	111.3	C169 G170	C169-S182 VanDerWaalsContact SG-CB 3.55Å; G170-S182 CarbonylContact O-C 3.5Å; G170-S182 WeakPolarHBondContact O-CA 3.01Å
183	Y	47.5	Very low	44.5	Very low	113 Å²	113	70.8 Å²	70.8	44%	0.443	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.5	179.6	-58.4	-90.1	0	0	0	109.9	C169 G170 V172 T181 F191	C169-Y183 WeakPolarHBondContact CA-O 3.26Å; C169-Y183 PolarHBondContact SG-O 2.92Å; G170-Y183 PolarHBondContact N-O 2.86Å; G170-Y183 PolarHBondContact O-N 3.06Å; V172-Y183 HydrophobicContact CB-CE2 4.39Å; V172-Y183 HydrophobicContact CG2-CD2 4.18Å; V172-Y183 HydrophobicContact CG2-CE2 3.74Å; T181-Y183 WeakPolarHBondContact OG1-CE2 3.21Å; T181-Y183 PolarHBondContact OG1-OH 2.87Å; Y183-F191 HydrophobicContact CD2-CE2 4.27Å; Y183-F191 HydrophobicContact CG-CE2 4.34Å
184	P	45.6	Very low	45	Very low	50 Å²	50	74.6 Å²	74.6	33%	0.325	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142	172.7	29.1	-34.1	0	0	0	110.1	V166	V166-P184 HydrophobicContact CG1-CB 3.84Å
185	A	52.3	Low	45.2	Very low	1 Å²	1	75 Å²	75	1%	0.008	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.4	175.8	0	0	0	0	0	111.8	C168 S187 F191	C168-A185 HydrophobicContact CB-CB 4.35Å; C168-A185 WeakPolarHBondContact CB-O 2.99Å; C168-A185 PolarHBondContact N-O 3.06Å; C168-A185 PolarHBondContact O-N 2.96Å; C168-A185 VanDerWaalsContact O-O 3.11Å; A185-S187 PolarHBondContact O-N 2.72Å; A185-F191 HydrophobicContact CB-CB 3.7Å; A185-F191 HydrophobicContact CB-CD2 4.36Å; A185-F191 HydrophobicContact CB-CG 4.44Å
186	E	50.6	Low	45.5	Very low	67 Å²	67	73 Å²	73	31%	0.313	41%	0.41	S	S	.	.	S	Bend	trans	-62.9	-28.6	176.9	-63.3	151.8	-177	0	0	112.2	T157 N190	T157-E186 WeakPolarHBondContact CB-OE1 3.27Å; T157-E186 PolarHBondContact OG1-OE1 3.39Å; E186-N190 PolarHBondContact OE2-ND2 2.84Å
187	S	56.6	Low	45.9	Very low	50 Å²	50	70 Å²	70	35%	0.35	40%	0.395	S	S	.	.	S	Bend	trans	-154.9	161.8	174.6	70.2	0	0	0	0	113.1	A185 N189 N190 F191	A185-S187 PolarHBondContact O-N 2.72Å; S187-N189 PolarHBondContact O-N 3.38Å; S187-N189 PolarHBondContact OG-N 3.33Å; S187-N190 PolarHBondContact O-N 3.29Å; S187-N190 PolarHBondContact OG-N 3.35Å; S187-F191 PolarHBondContact O-N 2.75Å
188	F	50.5	Low	46	Very low	82 Å²	82	65.9 Å²	65.9	36%	0.36	39%	0.387	S	S	.	.	H	α-helix	trans	-49.6	-42	168.5	-179.6	-79.7	0	0	0	112	L118 L143 K192	L118-F188 HydrophobicContact CD2-CE2 4.29Å; L118-F188 HydrophobicContact CD2-CZ 4.01Å; L143-F188 HydrophobicContact CD1-CB 4.48Å; L143-F188 HydrophobicContact CD1-CD2 3.33Å; L143-F188 HydrophobicContact CD1-CE2 3.6Å; L143-F188 HydrophobicContact CD1-CG 3.98Å; L143-F188 HydrophobicContact CD1-CZ 4.45Å; F188-K192 HydrophobicContact CE1-CD 4.09Å; F188-K192 VanDerWaalsContact O-CB 3.27Å; F188-K192 WeakPolarHBondContact O-CB 3.45Å; F188-K192 PolarHBondContact O-N 2.79Å
189	N	59.3	Low	46.4	Very low	112 Å²	112	72.9 Å²	72.9	60%	0.599	40%	0.4	S	S	*	.	H	α-helix	trans	-71.4	-39.4	-179.1	-72.1	-25.2	0	0	0	112.1	S187 K192 A193	S187-N189 PolarHBondContact O-N 3.38Å; S187-N189 PolarHBondContact OG-N 3.33Å; N189-K192 PolarHBondContact O-N 3.37Å; N189-A193 WeakPolarHBondContact O-CB 3.26Å; N189-A193 PolarHBondContact O-N 2.77Å
190	N	57.8	Low	46.6	Very low	45 Å²	45	75.5 Å²	75.5	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-64.8	-46.1	176.7	-158.9	-7	0	0	0	110.4	E186 S187 K192 A193 Q194	E186-N190 PolarHBondContact OE2-ND2 2.84Å; S187-N190 PolarHBondContact O-N 3.29Å; S187-N190 PolarHBondContact OG-N 3.35Å; N190-K192 VanDerWaalsContact C-N 3.33Å; N190-K192 PolarHBondContact O-N 3.48Å; N190-A193 PolarHBondContact O-N 2.83Å; N190-Q194 WeakPolarHBondContact O-CG 3.08Å; N190-Q194 PolarHBondContact O-N 2.86Å; N190-Q194 PolarHBondContact OD1-NE2 3.41Å
191	F	53	Low	46.3	Very low	7 Å²	7	80.9 Å²	80.9	3%	0.031	43%	0.425	C	S	.	.	H	α-helix	trans	-59	-42.6	173.7	-173.1	-106.8	0	0	0	112.7	L118 L141 L143 Y183 A185 S187 A193 Q194 S195	L118-F191 HydrophobicContact CD1-CD1 3.75Å; L118-F191 HydrophobicContact CD1-CE1 3.58Å; L141-F191 HydrophobicContact CD2-CE1 4.01Å; L141-F191 HydrophobicContact CD2-CZ 4.05Å; L143-F191 HydrophobicContact CD1-CD1 3.98Å; L143-F191 HydrophobicContact CD2-CB 4.48Å; L143-F191 HydrophobicContact CD2-CD1 4.09Å; L143-F191 HydrophobicContact CD2-CG 4.34Å; L143-F191 HydrophobicContact CG-CD1 3.88Å; L143-F191 HydrophobicContact CG-CE1 4.38Å; Y183-F191 HydrophobicContact CD2-CE2 4.27Å; Y183-F191 HydrophobicContact CG-CE2 4.34Å; A185-F191 HydrophobicContact CB-CB 3.7Å; A185-F191 HydrophobicContact CB-CD2 4.36Å; A185-F191 HydrophobicContact CB-CG 4.44Å; S187-F191 PolarHBondContact O-N 2.75Å; F191-A193 VanDerWaalsContact C-N 3.34Å; F191-A193 PolarHBondContact O-N 3.03Å; F191-Q194 PolarHBondContact O-N 2.73Å; F191-S195 VanDerWaalsContact O-CB 3.3Å; F191-S195 WeakPolarHBondContact O-CB 3.04Å; F191-S195 PolarHBondContact O-N 3.27Å; F191-S195 PolarHBondContact O-OG 3.01Å
192	K	54.8	Low	46	Very low	87 Å²	87	88.2 Å²	88.2	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-65.1	-33.9	178.7	-175.7	-176.5	173.1	-169	0	113	F188 N189 N190 S195 F197	F188-K192 HydrophobicContact CE1-CD 4.09Å; F188-K192 VanDerWaalsContact O-CB 3.27Å; F188-K192 WeakPolarHBondContact O-CB 3.45Å; F188-K192 PolarHBondContact O-N 2.79Å; N189-K192 PolarHBondContact O-N 3.37Å; N190-K192 VanDerWaalsContact C-N 3.33Å; N190-K192 PolarHBondContact O-N 3.48Å; K192-S195 WeakPolarHBondContact CA-OG 3.39Å; K192-S195 PolarHBondContact O-OG 2.66Å; K192-F197 HydrophobicContact CG-CB 3.77Å; K192-F197 WeakPolarHBondContact O-CB 3.31Å; K192-F197 PolarHBondContact O-N 2.77Å
193	A	53.9	Low	45.6	Very low	63 Å²	63	86.8 Å²	86.8	52%	0.521	44%	0.441	S	S	.	.	H	α-helix	trans	-69.8	-50.8	173	0	0	0	0	0	111.2	N189 N190 F191 S195 G196	N189-A193 WeakPolarHBondContact O-CB 3.26Å; N189-A193 PolarHBondContact O-N 2.77Å; N190-A193 PolarHBondContact O-N 2.83Å; F191-A193 VanDerWaalsContact C-N 3.34Å; F191-A193 PolarHBondContact O-N 3.03Å; A193-S195 PolarHBondContact O-N 2.99Å; A193-G196 PolarHBondContact O-N 3.37Å; A193-G196 VanDerWaalsContact O-N 3.09Å
194	Q	49.3	Very low	44.7	Very low	113 Å²	113	88.2 Å²	88.2	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-63.1	-37.4	-179	-67.3	177.1	16.4	0	0	113	N190 F191 G196	N190-Q194 WeakPolarHBondContact O-CG 3.08Å; N190-Q194 PolarHBondContact O-N 2.86Å; N190-Q194 PolarHBondContact OD1-NE2 3.41Å; F191-Q194 PolarHBondContact O-N 2.73Å; Q194-G196 PolarHBondContact O-N 3.31Å
195	S	45	Very low	44.1	Very low	36 Å²	36	94.1 Å²	94.1	25%	0.252	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	5.4	175.9	55.9	0	0	0	0	114.4	F191 K192 A193 F197	F191-S195 VanDerWaalsContact O-CB 3.3Å; F191-S195 WeakPolarHBondContact O-CB 3.04Å; F191-S195 PolarHBondContact O-N 3.27Å; F191-S195 PolarHBondContact O-OG 3.01Å; K192-S195 WeakPolarHBondContact CA-OG 3.39Å; K192-S195 PolarHBondContact O-OG 2.66Å; A193-S195 PolarHBondContact O-N 2.99Å; S195-F197 WeakPolarHBondContact O-CD2 3.46Å; S195-F197 PolarHBondContact O-N 3.2Å; S195-F197 WeakPolarHBondContact OG-CD2 3.43Å
196	G	42.4	Very low	43.3	Very low	42 Å²	42	100.5 Å²	100.5	43%	0.433	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	8.5	174	0	0	0	0	0	115.5	A193 Q194 S198	A193-G196 PolarHBondContact O-N 3.37Å; A193-G196 VanDerWaalsContact O-N 3.09Å; Q194-G196 PolarHBondContact O-N 3.31Å; G196-S198 PolarHBondContact O-N 3.04Å; G196-S198 VanDerWaalsContact O-N 3.12Å
197	F	41.1	Very low	42.5	Very low	69 Å²	69	103 Å²	103	30%	0.303	51%	0.51	S	S	.	.			trans	-83.5	29.5	-178.1	-76.6	-97.4	0	0	0	113.9	L141 K192 S195	L141-F197 HydrophobicContact CD1-CE2 4.21Å; L141-F197 HydrophobicContact CD1-CZ 4.23Å; L141-F197 HydrophobicContact CD2-CE2 4.17Å; K192-F197 HydrophobicContact CG-CB 3.77Å; K192-F197 WeakPolarHBondContact O-CB 3.31Å; K192-F197 PolarHBondContact O-N 2.77Å; S195-F197 WeakPolarHBondContact O-CD2 3.46Å; S195-F197 PolarHBondContact O-N 3.2Å; S195-F197 WeakPolarHBondContact OG-CD2 3.43Å
198	S	35.3	Very low	41.3	Very low	70 Å²	70	105.2 Å²	105.2	49%	0.49	52%	0.518	S	S	.	.			trans	-68.9	154.2	165.8	-177	0	0	0	0	110.6	G196 E200	G196-S198 PolarHBondContact O-N 3.04Å; G196-S198 VanDerWaalsContact O-N 3.12Å; S198-E200 PolarHBondContact O-N 3.24Å; S198-E200 PolarHBondContact OG-N 2.71Å; S198-E200 PolarHBondContact OG-OE2 3.11Å
199	K	36.7	Very low	40.3	Very low	207 Å²	207	104.1 Å²	104.1	90%	0.9	52%	0.523	S	S	*	.			trans	-78.6	-3.8	176.9	-77.5	-178	174.6	179.2	0	113.4
200	E	31.5	Very low	39	Very low	151 Å²	151	104.4 Å²	104.4	71%	0.706	53%	0.525	S	S	*	.			trans	-75.9	132.4	-171.2	-66.1	177.7	129.7	0	0	113.3	S198	S198-E200 PolarHBondContact O-N 3.24Å; S198-E200 PolarHBondContact OG-N 2.71Å; S198-E200 PolarHBondContact OG-OE2 3.11Å
201	K	30.2	Very low	37.6	Very low	205 Å²	205	112.2 Å²	112.2	89%	0.891	55%	0.551	S	S	*	*			trans	-97.3	-2.8	-145.1	-128.5	177.2	-177.9	-177.9	0	116.5
202	K	30	Very low	36.5	Very low	197 Å²	197	119.2 Å²	119.2	86%	0.857	58%	0.584	S	S	*	*	S	Bend	trans	-134.4	-13.7	-158.3	-74.2	-165.6	173.9	-175.2	0	120.2
203	T	33.9	Very low	35	Very low	56 Å²	56	118.2 Å²	118.2	34%	0.344	60%	0.598	S	S	.	*			trans	-116	12.2	-165.7	48.6	0	0	0	0	117.5	K205 Q206 K207	T203-K205 PolarHBondContact O-N 2.94Å; T203-Q206 PolarHBondContact O-N 3.47Å; T203-K207 WeakPolarHBondContact O-CB 3.39Å; T203-K207 WeakPolarHBondContact O-CG 3.27Å; T203-K207 PolarHBondContact O-N 2.89Å; T203-K207 WeakPolarHBondContact OG1-CE 3.48Å
204	F	28.7	Very low	33.6	Very low	143 Å²	143	117.7 Å²	117.7	63%	0.627	60%	0.599	S	S	*	*	H	α-helix	trans	-62.2	-42.3	-174	-160.1	-97.8	0	0	0	114.2	K207 L208	F204-K207 PolarHBondContact O-N 3.07Å; F204-L208 HydrophobicContact CE1-CD1 4.11Å; F204-L208 HydrophobicContact CZ-CD1 4.21Å; F204-L208 WeakPolarHBondContact O-CB 3.34Å; F204-L208 PolarHBondContact O-N 3.02Å
205	K	32.7	Very low	32.3	Very low	174 Å²	174	124 Å²	124	76%	0.757	62%	0.618	S	S	*	*	H	α-helix	trans	-64.3	-43.1	176.9	-80.6	-169.3	173.2	-174	0	112.9	T203 L208 A209	T203-K205 PolarHBondContact O-N 2.94Å; K205-L208 PolarHBondContact O-N 3.45Å; K205-A209 PolarHBondContact O-N 3.06Å
206	Q	35.8	Very low	31.3	Very low	134 Å²	134	128.4 Å²	128.4	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-67.2	-40.9	176	-79.7	173.8	-41.7	0	0	112.3	T203 L208 A209 N210	T203-Q206 PolarHBondContact O-N 3.47Å; Q206-L208 VanDerWaalsContact C-N 3.3Å; Q206-L208 PolarHBondContact O-N 2.91Å; Q206-A209 PolarHBondContact O-N 2.91Å; Q206-N210 PolarHBondContact O-N 2.77Å; Q206-N210 PolarHBondContact O-OD1 3.32Å
207	K	33.2	Very low	30.3	Very low	119 Å²	119	130 Å²	130	52%	0.517	65%	0.646	S	S	.	*	H	α-helix	trans	-66.4	-30.8	177	-73.9	-179.1	176.3	-178.3	0	112.4	T203 F204 W211	T203-K207 WeakPolarHBondContact O-CB 3.39Å; T203-K207 WeakPolarHBondContact O-CG 3.27Å; T203-K207 PolarHBondContact O-N 2.89Å; T203-K207 WeakPolarHBondContact OG1-CE 3.48Å; F204-K207 PolarHBondContact O-N 3.07Å; K207-W211 WeakPolarHBondContact O-CB 3.32Å; K207-W211 VanDerWaalsContact O-CD1 3.24Å; K207-W211 PolarHBondContact O-N 2.79Å
208	L	31.1	Very low	29.4	Very low	98 Å²	98	130.4 Å²	130.4	51%	0.513	66%	0.663	S	S	.	*	H	α-helix	trans	-72.3	-36.5	174.3	-138.1	75.5	0	0	0	113	F204 K205 Q206 W211	F204-L208 HydrophobicContact CE1-CD1 4.11Å; F204-L208 HydrophobicContact CZ-CD1 4.21Å; F204-L208 WeakPolarHBondContact O-CB 3.34Å; F204-L208 PolarHBondContact O-N 3.02Å; K205-L208 PolarHBondContact O-N 3.45Å; Q206-L208 VanDerWaalsContact C-N 3.3Å; Q206-L208 PolarHBondContact O-N 2.91Å; L208-W211 WeakPolarHBondContact O-CB 3.46Å; L208-W211 PolarHBondContact O-N 2.8Å
209	A	30.7	Very low	28.9	Very low	58 Å²	58	135 Å²	135	48%	0.479	67%	0.671	S	S	.	*	H	α-helix	trans	-66	-45.6	172.4	0	0	0	0	0	111.4	K205 Q206 W211 Q212	K205-A209 PolarHBondContact O-N 3.06Å; Q206-A209 PolarHBondContact O-N 2.91Å; A209-W211 PolarHBondContact O-N 2.81Å; A209-Q212 PolarHBondContact O-N 2.9Å
210	N	31.3	Very low	28.2	Very low	118 Å²	118	128.6 Å²	128.6	63%	0.631	66%	0.663	S	S	*	*	H	α-helix	trans	-65.3	-24.8	176.4	-68.7	10.4	0	0	0	112.6	Q206 Q212 G213 G214	Q206-N210 PolarHBondContact O-N 2.77Å; Q206-N210 PolarHBondContact O-OD1 3.32Å; N210-Q212 PolarHBondContact O-N 2.9Å; N210-G213 PolarHBondContact O-N 3.08Å; N210-G214 PolarHBondContact O-N 3.2Å
211	W	29.7	Very low	27.7	Very low	210 Å²	210	128.9 Å²	128.9	80%	0.795	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-15.3	170.4	-99.7	51	0	0	0	114.1	K207 L208 A209	K207-W211 WeakPolarHBondContact O-CB 3.32Å; K207-W211 VanDerWaalsContact O-CD1 3.24Å; K207-W211 PolarHBondContact O-N 2.79Å; L208-W211 WeakPolarHBondContact O-CB 3.46Å; L208-W211 PolarHBondContact O-N 2.8Å; A209-W211 PolarHBondContact O-N 2.81Å
212	Q	28.9	Very low	27.4	Very low	153 Å²	153	126 Å²	126	72%	0.715	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	1.8	175	-59.7	-172.7	-69.6	0	0	113.2	A209 N210 I383	A209-Q212 PolarHBondContact O-N 2.9Å; N210-Q212 PolarHBondContact O-N 2.9Å; Q212-I383 VanDerWaalsContact NE2-CD1 3.25Å
213	G	24.1	Very low	27.1	Very low	66 Å²	66	119 Å²	119	68%	0.68	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	-3.7	171.3	0	0	0	0	0	115.3	N210 R215	N210-G213 PolarHBondContact O-N 3.08Å; G213-R215 PolarHBondContact O-N 2.7Å
214	G	23.1	Very low	26.5	Very low	52 Å²	52	128.1 Å²	128.1	54%	0.536	67%	0.673	S	S	.	*			trans	-82.7	106.6	-171.1	0	0	0	0	0	115	N210 V216	N210-G214 PolarHBondContact O-N 3.2Å; G214-V216 PolarHBondContact O-N 2.75Å
215	R	23.4	Very low	26.3	Very low	247 Å²	247	127.1 Å²	127.1	93%	0.932	68%	0.682	S	S	*	*			trans	-79.5	89.1	167.6	-61.7	-178.2	-171.9	172.1	3	111	G213	G213-R215 PolarHBondContact O-N 2.7Å
216	V	23.8	Very low	25.8	Very low	127 Å²	127	127.5 Å²	127.5	77%	0.77	69%	0.687	S	S	*	*			trans	-145.7	118.4	-177.8	-175.7	0	0	0	0	109.6	G214	G214-V216 PolarHBondContact O-N 2.75Å
217	C	21.6	Very low	25.3	Very low	75 Å²	75	133.2 Å²	133.2	51%	0.507	70%	0.703	S	S	.	*			cis	-120.4	151.7	-8.6	-68.2	0	0	0	0	110.5
218	A	22.1	Very low	24.9	Very low	78 Å²	78	135.8 Å²	135.8	65%	0.645	72%	0.721	S	S	*	*			trans	-118.2	114.6	149.9	0	0	0	0	0	107.7
219	Y	23.6	Very low	24.5	Very low	168 Å²	168	140 Å²	140	66%	0.659	74%	0.738	S	S	*	*			trans	-168.4	141.2	164.9	-86.8	-62.8	0	0	0	107.6	P158	P158-Y219 WeakPolarHBondContact CB-O 3.39Å
220	G	22	Very low	24.3	Very low	71 Å²	71	147.6 Å²	147.6	73%	0.732	75%	0.754	S	S	*	*	S	Bend	cis	-89.5	179	-25.7	0	0	0	0	0	111.9
221	I	22.7	Very low	24.1	Very low	157 Å²	157	152.1 Å²	152.1	81%	0.805	76%	0.763	S	S	*	*			cis	-114.3	116.2	8.1	-61.3	168.9	0	0	0	109.8	G223	I221-G223 WeakPolarHBondContact CG2-O 3.5Å
222	L	23.9	Very low	23.9	Very low	145 Å²	145	150.8 Å²	150.8	76%	0.759	77%	0.77	S	S	*	*			trans	-116.6	97.2	156.6	-90.7	169.6	0	0	0	106.7
223	G	22.9	Very low	23.8	Very low	50 Å²	50	149.1 Å²	149.1	52%	0.515	77%	0.771	S	S	.	*			trans	161.2	121.9	-178.9	0	0	0	0	0	112	I221	I221-G223 WeakPolarHBondContact CG2-O 3.5Å
224	R	21.8	Very low	24	Very low	248 Å²	248	151.4 Å²	151.4	94%	0.936	77%	0.767	S	S	*	*	S	Bend	trans	67.2	119.3	-166.4	-45.1	-174.6	-158.2	-158.2	6.4	112
225	C	23.4	Very low	24.2	Very low	121 Å²	121	156.7 Å²	156.7	82%	0.818	78%	0.778	S	S	*	*			cis	-131.3	164.6	0.3	-73.7	0	0	0	0	111.5
226	Q	23.2	Very low	24.3	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	77%	0.772	S	S	*	*			trans	-67.6	133.2	-180	-55.7	123.2	-45.9	0	0	112.1
227	R	25.9	Very low	24.3	Very low	254 Å²	254	149.7 Å²	149.7	96%	0.958	78%	0.775	S	S	*	*			trans	170.2	65.3	148	-95.1	166.1	-166.4	-161.2	5.4	111.2
228	L	23	Very low	24.5	Very low	173 Å²	173	149.5 Å²	149.5	91%	0.906	79%	0.786	S	S	*	*			trans	-112.4	66.8	178.4	-169.8	92.8	0	0	0	111.9
229	E	24.4	Very low	24.8	Very low	187 Å²	187	158 Å²	158	87%	0.874	80%	0.801	S	S	*	*	S	Bend	trans	-158.3	3	174	-129.2	163.5	-141.8	0	0	117
230	R	25.9	Very low	24.8	Very low	216 Å²	216	154 Å²	154	82%	0.815	80%	0.803	S	S	*	*	S	Bend	trans	-138.1	31.8	-175.4	-63.2	-169.2	-172.9	169.9	3	115.7
231	W	27	Very low	24.9	Very low	213 Å²	213	156 Å²	156	81%	0.807	80%	0.801	S	S	*	*	S	Bend	trans	-124.5	0.1	179.6	-150.8	69.7	0	0	0	115.3
232	L	25.3	Very low	24.9	Very low	182 Å²	182	157.8 Å²	157.8	95%	0.953	80%	0.803	S	S	*	*	S	Bend	trans	-103.2	21.1	177.5	-89.2	165	0	0	0	113.4
233	V	27.3	Very low	24.9	Very low	119 Å²	119	158 Å²	158	72%	0.721	80%	0.804	S	S	*	*	S	Bend	trans	-126.7	-31.7	-176.6	-178.8	0	0	0	0	113.2
234	D	27.6	Very low	25	Very low	114 Å²	114	165.9 Å²	165.9	61%	0.61	82%	0.824	S	S	*	*	S	Bend	trans	-108.2	17.7	-157.6	-67.3	-36.1	0	0	0	117.2
235	Q	27.5	Very low	25.1	Very low	163 Å²	163	157.5 Å²	157.5	76%	0.762	82%	0.815	S	S	*	*	S	Bend	trans	-134.6	34.1	-176.6	-72.4	-67.1	-84	0	0	115.4
236	A	25.4	Very low	25.3	Very low	98 Å²	98	158.8 Å²	158.8	81%	0.81	81%	0.812	S	S	*	*			trans	-149.4	91.1	171.5	0	0	0	0	0	114.6
237	P	24.5	Very low	25.4	Very low	128 Å²	128	157.7 Å²	157.7	83%	0.831	81%	0.812	S	S	*	*			trans	-108.6	130.1	165.8	34.9	-24.9	0	0	0	112.4
238	G	25.4	Very low	25.5	Very low	71 Å²	71	149.5 Å²	149.5	73%	0.732	81%	0.807	S	S	*	*			trans	88.2	130.6	177.9	0	0	0	0	0	113.6
239	W	27.2	Very low	25.6	Very low	257 Å²	257	146 Å²	146	97%	0.973	80%	0.803	S	S	*	*			cis	-131.8	135.2	6.3	-76.4	60	0	0	0	111.5
240	A	24.6	Very low	25.8	Very low	84 Å²	84	146 Å²	146	69%	0.694	80%	0.8	S	S	*	*			trans	-102.1	179.7	154	0	0	0	0	0	107.5
241	V	24.2	Very low	26	Very low	112 Å²	112	142.9 Å²	142.9	68%	0.679	80%	0.8	S	S	*	*			cis	-145.1	161.2	13.5	-143.6	0	0	0	0	106.7
242	F	23.2	Very low	26	Very low	195 Å²	195	136.1 Å²	136.1	86%	0.855	80%	0.796	S	S	*	*				-169.1	159.8	80.7	-120.2	-80.3	0	0	0	113.3
243	L	23.4	Very low	26	Very low	150 Å²	150	131.9 Å²	131.9	79%	0.785	79%	0.787	S	S	*	*			trans	-127.6	144.3	-174.8	-78.2	160.8	0	0	0	113.3
244	K	24.5	Very low	26	Very low	215 Å²	215	132.6 Å²	132.6	94%	0.935	79%	0.792	S	S	*	*			trans	163.8	144.1	145.1	-94.6	168.4	179.3	-178.5	0	106.7
245	G	25.1	Very low	25.8	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	80%	0.798	S	S	*	*			cis	154.6	173.3	18.4	0	0	0	0	0	105.4
246	I	27.4	Very low	25.6	Very low	149 Å²	149	138.4 Å²	138.4	76%	0.764	81%	0.805	S	S	*	*			cis	-153.6	146.2	17.5	-87.2	172.8	0	0	0	108.6
247	N	25.1	Very low	25.8	Very low	160 Å²	160	138 Å²	138	86%	0.856	79%	0.794	S	S	*	*			trans	26.9	129.5	156.4	-52.5	-5.7	0	0	0	122.7
248	G	27.5	Very low	25.9	Very low	82 Å²	82	140.6 Å²	140.6	85%	0.845	80%	0.8	S	S	*	*			trans	-164.7	125.2	151.5	0	0	0	0	0	109.4
249	A	25.8	Very low	25.9	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	80%	0.798	S	S	*	*			trans	-144.2	174.1	-171.2	0	0	0	0	0	112.1
250	K	28.5	Very low	25.9	Very low	188 Å²	188	134.4 Å²	134.4	82%	0.817	79%	0.793	S	S	*	*			trans	85.9	143.5	-173	-61.5	-172.6	173.5	-166.5	0	114.6
251	D	29.9	Very low	26.1	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	80%	0.797	S	S	*	*			cis	-149.6	161.6	-18.3	-81.4	-38.1	0	0	0	104.6
252	G	27.7	Very low	26.3	Very low	71 Å²	71	136.9 Å²	136.9	73%	0.732	80%	0.801	S	S	*	*			cis	179.7	-158.9	16.4	0	0	0	0	0	110.7
253	A	25.3	Very low	26.4	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	80%	0.803	S	S	*	*			trans	-25.3	153.8	-174.8	0	0	0	0	0	120.3
254	T	26.7	Very low	26.4	Very low	133 Å²	133	136.9 Å²	136.9	82%	0.816	80%	0.8	S	S	*	*			cis	-155.5	153.7	42.3	-43.6	0	0	0	0	114.5
255	F	22.2	Very low	26.4	Very low	171 Å²	171	131.7 Å²	131.7	75%	0.75	79%	0.792	S	S	*	*			trans	-83.3	162.1	179.9	-91.4	-113.6	0	0	0	114.3	P257	F255-P257 HydrophobicContact CD1-CG 4.37Å
256	Y	24.9	Very low	26.4	Very low	228 Å²	228	133.8 Å²	133.8	89%	0.894	79%	0.794	S	S	*	*				-163.7	136	106.3	-95.9	-67	0	0	0	111.9
257	P	27.9	Very low	26.2	Very low	91 Å²	91	137.8 Å²	137.8	59%	0.591	80%	0.799	S	S	*	*			trans	-119.5	-171.7	-170.4	44.3	-33.1	0	0	0	114.4	F255	F255-P257 HydrophobicContact CD1-CG 4.37Å
258	L	27.3	Very low	26.4	Very low	181 Å²	181	134.8 Å²	134.8	95%	0.948	80%	0.796	S	S	*	*			trans	141.9	131.5	159.1	-80	159.7	0	0	0	108.3
259	G	24.9	Very low	26.2	Very low	68 Å²	68	142.3 Å²	142.3	70%	0.701	80%	0.799	S	S	*	*			cis	149.9	169.8	-1.5	0	0	0	0	0	109.3
260	P	28.8	Very low	26.3	Very low	131 Å²	131	141.3 Å²	141.3	85%	0.851	79%	0.791	S	S	*	*			cis	-125.6	-166.7	-23.2	41.4	-24.7	0	0	0	113.2
261	V	27.2	Very low	26.3	Very low	130 Å²	130	143.8 Å²	143.8	79%	0.788	80%	0.795	S	S	*	*			trans	-136.1	148	-178.9	-170.8	0	0	0	0	112.3
262	P	29.7	Very low	26.1	Very low	117 Å²	117	140.4 Å²	140.4	76%	0.76	78%	0.783	S	S	*	*			trans	-137.9	164.2	150	34	-17.8	0	0	0	114.1
263	W	24	Very low	26.1	Very low	236 Å²	236	143.9 Å²	143.9	89%	0.894	79%	0.785	S	S	*	*			cis	-169.1	-176.4	-35.7	-133.2	53.7	0	0	0	110.1
264	C	25	Very low	26.2	Very low	109 Å²	109	145.3 Å²	145.3	74%	0.736	78%	0.784	S	S	*	*			trans	69.7	148.7	172.1	-56.8	0	0	0	0	117.3
265	S	23.9	Very low	26.2	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	78%	0.781	S	S	*	*			cis	178.3	158.7	-12.2	50.6	0	0	0	0	107.6
266	C	25.3	Very low	26.4	Very low	116 Å²	116	143.4 Å²	143.4	78%	0.784	78%	0.781	S	S	*	*			cis	-172.8	166.8	-5.4	-101.8	0	0	0	0	108.3
267	R	23.3	Very low	26.4	Very low	232 Å²	232	140.3 Å²	140.3	88%	0.875	78%	0.779	S	S	*	*			cis	-173.3	24.4	-22.9	-158.7	175.4	178	-146.7	4.9	115.5
268	A	27.7	Very low	26.3	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	79%	0.787	S	S	*	*			trans	-125.4	141.4	-174.5	0	0	0	0	0	113.7
269	R	24.9	Very low	26.2	Very low	241 Å²	241	135.7 Å²	135.7	91%	0.909	78%	0.775	S	S	*	*			cis	84.3	135.8	27.7	-71.1	-168.6	171.8	-176.5	-1.2	115.3
270	A	27.9	Very low	26.3	Very low	78 Å²	78	143.5 Å²	143.5	65%	0.645	78%	0.783	S	S	*	*			cis	-171.8	169.9	-10.3	0	0	0	0	0	113.5
271	R	27.2	Very low	26.2	Very low	239 Å²	239	142.5 Å²	142.5	90%	0.902	78%	0.775	S	S	*	*			trans	70	156.6	154.2	-76.9	178.5	176.9	168.8	-4.2	119.5
272	S	26.7	Very low	26.2	Very low	79 Å²	79	144 Å²	144	55%	0.552	78%	0.777	S	S	*	*			cis	-170.5	173.9	-24.7	49.7	0	0	0	0	112.6
273	D	27.2	Very low	26	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	77%	0.773	S	S	*	*			trans	76.5	153.1	153.8	-53.5	-39.5	0	0	0	119.1
274	V	26.9	Very low	26	Very low	124 Å²	124	137.9 Å²	137.9	75%	0.752	77%	0.766	S	S	*	*			cis	-160.7	155.5	1.2	103	0	0	0	0	113.9
275	V	27.8	Very low	26	Very low	124 Å²	124	142.8 Å²	142.8	75%	0.752	77%	0.769	S	S	*	*			trans	53	137.6	158.2	173.8	0	0	0	0	120.9
276	N	26	Very low	25.9	Very low	140 Å²	140	145.6 Å²	145.6	75%	0.749	77%	0.768	S	S	*	*			cis	105.2	102	5.3	-170	31.6	0	0	0	118.4
277	L	25	Very low	25.8	Very low	163 Å²	163	149.2 Å²	149.2	85%	0.853	77%	0.77	S	S	*	*			trans	-165.2	136.8	154.6	-140.9	71.7	0	0	0	116.9
278	A	25.4	Very low	25.8	Very low	91 Å²	91	143 Å²	143	75%	0.752	76%	0.758	S	S	*	*			trans	42.6	154.6	144.7	0	0	0	0	0	124.9
279	A	25	Very low	25.7	Very low	84 Å²	84	146.4 Å²	146.4	69%	0.694	76%	0.757	S	S	*	*			cis	-177.4	172.2	-24.8	0	0	0	0	0	111.9
280	R	27.4	Very low	25.8	Very low	232 Å²	232	140.4 Å²	140.4	88%	0.875	75%	0.748	S	S	*	*			trans	72	147.2	154.6	-71.4	-177.8	174.7	178	-3	118.2
281	T	27.4	Very low	25.7	Very low	110 Å²	110	142.1 Å²	142.1	68%	0.675	76%	0.755	S	S	*	*			cis	-162	162.6	-2.2	0.2	0	0	0	0	112.9
282	L	26.4	Very low	25.7	Very low	161 Å²	161	134.6 Å²	134.6	84%	0.843	75%	0.751	S	S	*	*			trans	65.4	159.7	154.1	-66.5	160.9	0	0	0	116.4
283	A	24.8	Very low	25.6	Very low	81 Å²	81	143.3 Å²	143.3	67%	0.669	77%	0.772	S	S	*	*			cis	-175.2	164.8	-13.6	0	0	0	0	0	107.7
284	I	25.9	Very low	25.6	Very low	144 Å²	144	140.3 Å²	140.3	74%	0.738	78%	0.775	S	S	*	*			cis	-162.8	153.9	-9.8	-111.5	172.5	0	0	0	110.2
285	R	23.1	Very low	25.5	Very low	212 Å²	212	138.8 Å²	138.8	80%	0.8	78%	0.776	S	S	*	*			trans	14.2	158.5	148.5	-52.5	-171.2	166.2	173.5	-5	122.4
286	F	22.2	Very low	25.5	Very low	166 Å²	166	140.1 Å²	140.1	73%	0.728	78%	0.779	S	S	*	*			cis	-171.3	-171.4	-22.5	-112.5	-56.8	0	0	0	109.8
287	F	24.2	Very low	25.4	Very low	191 Å²	191	139.5 Å²	139.5	84%	0.838	78%	0.78	S	S	*	*			trans	76.9	119.8	175.1	-67.2	-87.6	0	0	0	116.3
288	V	23.5	Very low	25.4	Very low	103 Å²	103	137.4 Å²	137.4	62%	0.624	78%	0.779	S	S	*	*			cis	90	132.1	8.9	-167.9	0	0	0	0	116.9
289	Q	24.5	Very low	25.3	Very low	167 Å²	167	137.2 Å²	137.2	78%	0.78	78%	0.777	S	S	*	*			trans	74	141.4	165.1	-89.5	170.1	-68.5	0	0	118.5
290	T	26.9	Very low	25.2	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	78%	0.783	S	S	*	*			cis	-153.5	174.3	-11.8	-17.9	0	0	0	0	113.1
291	S	25.4	Very low	25	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	78%	0.777	S	S	*	*			trans	-53.8	154	173.4	55	0	0	0	0	118
292	G	27.8	Very low	24.8	Very low	80 Å²	80	137.1 Å²	137.1	83%	0.825	79%	0.786	S	S	*	*			trans	-156.7	145	161.5	0	0	0	0	0	112.9
293	R	24.3	Very low	24.7	Very low	262 Å²	262	133 Å²	133	99%	0.989	78%	0.782	S	S	*	*			trans	-98.9	153	175	-69.4	175.2	174.2	164.6	-3.8	110.7
294	G	28.2	Very low	24.7	Very low	81 Å²	81	138.3 Å²	138.3	84%	0.835	79%	0.793	S	S	*	*			trans	-172.9	143	165.9	0	0	0	0	0	112.1
295	A	24.6	Very low	25.2	Very low	92 Å²	92	136.9 Å²	136.9	76%	0.76	79%	0.793	S	S	*	*			trans	-142.8	151.6	179	0	0	0	0	0	110.8
296	N	27.5	Very low	25.8	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	79%	0.788	S	S	*	*			trans	159	125	155.6	-82	-19.7	0	0	0	107.7
297	V	23.9	Very low	25.9	Very low	128 Å²	128	131 Å²	131	78%	0.776	79%	0.79	S	S	*	*				90.5	104.6	55.3	169.5	0	0	0	0	113.1
298	S	24.9	Very low	26	Very low	118 Å²	118	128 Å²	128	83%	0.825	78%	0.782	S	S	*	*			trans	-179.9	121.8	147.8	-76.1	0	0	0	0	106.8
299	A	23.4	Very low	26.2	Very low	87 Å²	87	130.5 Å²	130.5	72%	0.719	79%	0.787	S	S	*	*			cis	97.4	154.2	32.5	0	0	0	0	0	113.5
300	V	22.9	Very low	26.4	Very low	136 Å²	136	127.9 Å²	127.9	82%	0.824	78%	0.778	S	S	*	*			trans	77.6	132.8	176.3	-176.8	0	0	0	0	116.2
301	I	23.6	Very low	26.4	Very low	145 Å²	145	131.8 Å²	131.8	74%	0.744	78%	0.78	S	S	*	*			cis	-148.8	131.6	-18.8	-116.1	172.6	0	0	0	111
302	V	23	Very low	26.6	Very low	144 Å²	144	134.3 Å²	134.3	87%	0.873	78%	0.779	S	S	*	*			trans	19.8	137.2	134.6	-175	0	0	0	0	122.4
303	G	24.5	Very low	26.7	Very low	73 Å²	73	134 Å²	134	75%	0.753	77%	0.769	S	S	*	*			trans	168.5	121	156	0	0	0	0	0	115.2
304	E	23.9	Very low	27	Very low	194 Å²	194	128.6 Å²	128.6	91%	0.907	77%	0.765	S	S	*	*			trans	-123	163.5	-178	-89.5	-165.5	137.1	0	0	114.1
305	P	37.3	Very low	27.1	Very low	113 Å²	113	128 Å²	128	73%	0.734	76%	0.758	S	S	*	*			trans	-89	-158.9	-179.6	42.5	-40.5	0	0	0	111.3
306	P	35.1	Very low	27.3	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	76%	0.763	S	S	*	*			cis	-143.7	-159.9	3.8	29.9	-1.3	0	0	0	116.2
307	L	25.1	Very low	27.3	Very low	148 Å²	148	131.3 Å²	131.3	78%	0.775	76%	0.757	S	S	*	*			trans	102.6	138.7	146.1	-70.5	165.3	0	0	0	124.2
308	L	25.6	Very low	27.6	Very low	128 Å²	128	131.5 Å²	131.5	67%	0.67	76%	0.758	S	S	*	*			trans	76.3	121.5	141.6	-73.8	162	0	0	0	124.6
309	H	27.4	Very low	27.8	Very low	156 Å²	156	130.1 Å²	130.1	72%	0.722	75%	0.748	S	S	*	*			trans	63.6	157.8	142.7	-79.5	-37	0	0	0	120
310	N	28.4	Very low	28	Very low	112 Å²	112	134.2 Å²	134.2	60%	0.599	75%	0.753	S	S	*	*			cis	-154.3	159.8	-7.3	-129.9	-20.4	0	0	0	113.8
311	R	27.3	Very low	28.3	Very low	197 Å²	197	132 Å²	132	74%	0.743	74%	0.743	S	S	*	*			trans	44.9	137	142.8	-83.2	172.7	172.2	-163.2	2.3	124.9
312	Q	29.3	Very low	28.5	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	75%	0.745	S	S	*	*			trans	79.7	147.8	136.8	-71.7	172.2	-76.4	0	0	120
313	A	30.3	Very low	28.6	Very low	74 Å²	74	136.9 Å²	136.9	61%	0.612	75%	0.748	S	S	*	*			cis	-163.6	153.4	-15.2	0	0	0	0	0	115
314	T	29.9	Very low	28.7	Very low	149 Å²	149	138 Å²	138	91%	0.914	75%	0.75	S	S	*	*			trans	47.7	132.6	143.9	53.9	0	0	0	0	124.8
315	G	30.8	Very low	29.2	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	74%	0.744	S	S	*	*			trans	151.4	101.2	156.9	0	0	0	0	0	111.1
316	Q	29.1	Very low	28.8	Very low	182 Å²	182	139.8 Å²	139.8	85%	0.85	75%	0.754	S	S	*	*				63.9	136	66.5	-66.1	-157.9	-23	0	0	113.9
317	L	28.3	Very low	28.5	Very low	133 Å²	133	142.9 Å²	142.9	70%	0.696	76%	0.756	S	S	*	*			cis	-164.9	167	0.9	-113.9	171.5	0	0	0	110
318	V	30	Very low	28.9	Very low	132 Å²	132	145.4 Å²	145.4	80%	0.8	76%	0.761	S	S	*	*			trans	65.9	146.6	153.3	158	0	0	0	0	118.1
319	S	29	Very low	29.3	Very low	88 Å²	88	149.8 Å²	149.8	62%	0.615	77%	0.769	S	S	*	*			cis	-164.3	173	-22.9	-174.7	0	0	0	0	110.2
320	Q	27.9	Very low	29.6	Very low	173 Å²	173	147.2 Å²	147.2	81%	0.808	76%	0.764	S	S	*	*			trans	-3.5	145.1	164.7	-59.6	169.3	32.4	0	0	118.9
321	S	28	Very low	29.9	Very low	90 Å²	90	146.9 Å²	146.9	63%	0.629	77%	0.766	S	S	*	*				-173.2	149.6	56	-159.7	0	0	0	0	116.2
322	K	27.5	Very low	30.2	Very low	180 Å²	180	143 Å²	143	78%	0.783	76%	0.759	S	S	*	*			trans	40.3	102.4	149.8	-66.6	168.7	-171.9	173.4	0	121.6
323	K	25.2	Very low	30.6	Very low	212 Å²	212	142.7 Å²	142.7	92%	0.922	76%	0.755	S	S	*	*				51.4	72.4	123.9	-62.8	-178.5	178	179	0	118.2
324	A	27.1	Very low	30.9	Very low	97 Å²	97	144.3 Å²	144.3	80%	0.802	75%	0.753	S	S	*	*			trans	-94.5	178.7	158.7	0	0	0	0	0	112.9	M326	A324-M326 PolarHBondContact O-N 3.18Å
325	I	34.8	Very low	31	Very low	154 Å²	154	139.5 Å²	139.5	79%	0.79	73%	0.728	S	S	*	*			trans	-96.7	79.7	-149.8	-48.3	170.3	0	0	0	113.7	K327	I325-K327 HydrophobicContact CG2-CB 4.3Å; I325-K327 HydrophobicContact CG2-CG 4.45Å; I325-K327 PolarHBondContact O-N 3.02Å
326	M	27.7	Very low	31.4	Very low	189 Å²	189	141.1 Å²	141.1	93%	0.931	72%	0.72	S	S	*	*			trans	-72.5	83.3	167.6	-80.7	-161	-81.1	0	0	112.3	A324	A324-M326 PolarHBondContact O-N 3.18Å
327	K	30.3	Very low	31.7	Very low	173 Å²	173	135.1 Å²	135.1	75%	0.752	70%	0.701	S	S	*	*			trans	-128.3	-10.7	173	-84.6	-170.5	173.8	-178.3	0	117.1	I325	I325-K327 HydrophobicContact CG2-CB 4.3Å; I325-K327 HydrophobicContact CG2-CG 4.45Å; I325-K327 PolarHBondContact O-N 3.02Å
328	K	32.9	Very low	32	Very low	200 Å²	200	133 Å²	133	87%	0.87	69%	0.694	S	S	*	*	S	Bend	trans	-102.5	-13.2	-173.2	-79.2	-171.8	173	-177.1	0	117.7
329	R	34.7	Very low	32	Very low	221 Å²	221	132.9 Å²	132.9	83%	0.834	69%	0.688	S	S	*	*	S	Bend	trans	-97.2	-19.2	-177.1	-74.6	-174.1	174	175.7	-1.8	116.2
330	V	33.8	Very low	32.2	Very low	102 Å²	102	132.4 Å²	132.4	62%	0.618	69%	0.689	S	S	*	*	H	α-helix	trans	-74.8	-32.6	179.9	178.5	0	0	0	0	112.3	L332 L334	V330-L332 PolarHBondContact O-N 3.19Å; V330-L334 HydrophobicContact CG1-CD1 4.08Å; V330-L334 PolarHBondContact O-N 3.34Å; V330-L334 VanDerWaalsContact O-N 3.08Å
331	V	34.5	Very low	32.4	Very low	105 Å²	105	129.5 Å²	129.5	64%	0.636	68%	0.683	S	S	*	*	H	α-helix	trans	-64.9	-39.8	-177.3	-176.9	0	0	0	0	111.9	L334 A335	V331-L334 PolarHBondContact O-N 2.92Å; V331-A335 WeakPolarHBondContact O-CB 3.33Å; V331-A335 PolarHBondContact O-N 3Å
332	L	33.6	Very low	32.5	Very low	116 Å²	116	130.3 Å²	130.3	61%	0.607	68%	0.684	S	S	*	*	H	α-helix	trans	-67.7	-42.8	-178.7	-166.8	67.7	0	0	0	112.1	V330 A335 I336	V330-L332 PolarHBondContact O-N 3.19Å; L332-A335 PolarHBondContact O-N 3.1Å; L332-I336 HydrophobicContact CG-CD1 4.4Å; L332-I336 WeakPolarHBondContact O-CG1 3.39Å; L332-I336 PolarHBondContact O-N 3.39Å; L332-I336 VanDerWaalsContact O-N 3.1Å
333	F	37.4	Very low	32.4	Very low	159 Å²	159	124.4 Å²	124.4	70%	0.697	67%	0.674	S	S	*	*	H	α-helix	trans	-67.2	-34.5	174.7	-88.4	-84.1	0	0	0	112.8	A337	F333-A337 VanDerWaalsContact O-CB 3.31Å; F333-A337 WeakPolarHBondContact O-CB 3.28Å; F333-A337 PolarHBondContact O-N 3.22Å; F333-A337 VanDerWaalsContact O-N 3.09Å
334	L	35.5	Very low	32.6	Very low	109 Å²	109	123.8 Å²	123.8	57%	0.571	67%	0.672	S	S	*	*	H	α-helix	trans	-66.5	-39.9	171	-107.2	74.3	0	0	0	112.2	V330 V331 A337 V338	V330-L334 HydrophobicContact CG1-CD1 4.08Å; V330-L334 PolarHBondContact O-N 3.34Å; V330-L334 VanDerWaalsContact O-N 3.08Å; V331-L334 PolarHBondContact O-N 2.92Å; L334-A337 PolarHBondContact O-N 2.96Å; L334-V338 WeakPolarHBondContact O-CB 3.43Å; L334-V338 VanDerWaalsContact O-CG2 3.25Å; L334-V338 WeakPolarHBondContact O-CG2 3.19Å; L334-V338 PolarHBondContact O-N 2.95Å
335	A	33.5	Very low	32.5	Very low	47 Å²	47	123.6 Å²	123.6	39%	0.388	67%	0.665	S	S	.	*	H	α-helix	trans	-63	-45.4	179.3	0	0	0	0	0	112	V331 L332 V338 L339	V331-A335 WeakPolarHBondContact O-CB 3.33Å; V331-A335 PolarHBondContact O-N 3Å; L332-A335 PolarHBondContact O-N 3.1Å; A335-V338 PolarHBondContact O-N 2.88Å; A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 3.17Å
336	I	38.9	Very low	32.1	Very low	102 Å²	102	121.7 Å²	121.7	52%	0.523	66%	0.656	S	S	.	*	H	α-helix	trans	-65.1	-42.8	177.2	-64	166.5	0	0	0	110.7	L332 V338 L339 A340	L332-I336 HydrophobicContact CG-CD1 4.4Å; L332-I336 WeakPolarHBondContact O-CG1 3.39Å; L332-I336 PolarHBondContact O-N 3.39Å; L332-I336 VanDerWaalsContact O-N 3.1Å; I336-V338 VanDerWaalsContact C-N 3.34Å; I336-V338 PolarHBondContact O-N 3.49Å; I336-L339 PolarHBondContact O-N 3.18Å; I336-A340 WeakPolarHBondContact O-CB 3.49Å; I336-A340 PolarHBondContact O-N 3.33Å
337	A	34.2	Very low	32.2	Very low	55 Å²	55	121.7 Å²	121.7	46%	0.455	65%	0.654	S	S	.	*	H	α-helix	trans	-65	-34.3	176	0	0	0	0	0	113.1	F333 L334 V341	F333-A337 VanDerWaalsContact O-CB 3.31Å; F333-A337 WeakPolarHBondContact O-CB 3.28Å; F333-A337 PolarHBondContact O-N 3.22Å; F333-A337 VanDerWaalsContact O-N 3.09Å; L334-A337 PolarHBondContact O-N 2.96Å; A337-V341 WeakPolarHBondContact O-CB 3.35Å; A337-V341 VanDerWaalsContact O-CG2 3.25Å; A337-V341 WeakPolarHBondContact O-CG2 3.2Å; A337-V341 PolarHBondContact O-N 2.91Å
338	V	34.9	Very low	32	Very low	88 Å²	88	117.2 Å²	117.2	53%	0.533	65%	0.645	S	S	.	*	H	α-helix	trans	-70.4	-41.5	175	166.6	0	0	0	0	111.3	L334 A335 I336 V341 V342	L334-V338 WeakPolarHBondContact O-CB 3.43Å; L334-V338 VanDerWaalsContact O-CG2 3.25Å; L334-V338 WeakPolarHBondContact O-CG2 3.19Å; L334-V338 PolarHBondContact O-N 2.95Å; A335-V338 PolarHBondContact O-N 2.88Å; I336-V338 VanDerWaalsContact C-N 3.34Å; I336-V338 PolarHBondContact O-N 3.49Å; V338-V341 PolarHBondContact O-N 2.94Å; V338-V342 HydrophobicContact CG1-CG2 4.45Å; V338-V342 VanDerWaalsContact O-CG2 3.26Å; V338-V342 WeakPolarHBondContact O-CG2 3.3Å; V338-V342 PolarHBondContact O-N 3.47Å; V338-V342 VanDerWaalsContact O-N 3.1Å
339	L	31.5	Very low	31.8	Very low	130 Å²	130	115.7 Å²	115.7	68%	0.681	63%	0.633	S	S	*	*	H	α-helix	trans	-64.5	-42.4	176.2	-74.7	166	0	0	0	112	A335 I336 V341 V342 G343	A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 3.17Å; I336-L339 PolarHBondContact O-N 3.18Å; L339-V341 VanDerWaalsContact C-N 3.28Å; L339-V341 PolarHBondContact O-N 3.49Å; L339-V342 PolarHBondContact O-N 2.89Å; L339-G343 PolarHBondContact O-N 3.44Å
340	A	31.9	Very low	31.5	Very low	78 Å²	78	111.5 Å²	111.5	65%	0.645	62%	0.623	S	S	*	*	H	α-helix	trans	-63	-30.8	175.8	0	0	0	0	0	113.5	I336	I336-A340 WeakPolarHBondContact O-CB 3.49Å; I336-A340 PolarHBondContact O-N 3.33Å
341	V	33.4	Very low	31.1	Very low	113 Å²	113	112.5 Å²	112.5	69%	0.685	63%	0.632	S	S	*	*	H	α-helix	trans	-84.2	-17.7	178.3	170.2	0	0	0	0	112.9	A337 V338 L339	A337-V341 WeakPolarHBondContact O-CB 3.35Å; A337-V341 VanDerWaalsContact O-CG2 3.25Å; A337-V341 WeakPolarHBondContact O-CG2 3.2Å; A337-V341 PolarHBondContact O-N 2.91Å; V338-V341 PolarHBondContact O-N 2.94Å; L339-V341 VanDerWaalsContact C-N 3.28Å; L339-V341 PolarHBondContact O-N 3.49Å
342	V	30.2	Very low	30.8	Very low	106 Å²	106	114 Å²	114	64%	0.642	63%	0.627	S	S	*	*	H	α-helix	trans	-89	-15.6	178	169.3	0	0	0	0	112.7	V338 L339	V338-V342 HydrophobicContact CG1-CG2 4.45Å; V338-V342 VanDerWaalsContact O-CG2 3.26Å; V338-V342 WeakPolarHBondContact O-CG2 3.3Å; V338-V342 PolarHBondContact O-N 3.47Å; V338-V342 VanDerWaalsContact O-N 3.1Å; L339-V342 PolarHBondContact O-N 2.89Å
343	G	25	Very low	30.4	Very low	56 Å²	56	114.5 Å²	114.5	58%	0.577	63%	0.63	S	S	*	*	S	Bend	trans	-72.6	-24.2	-175.6	0	0	0	0	0	116.9	L339	L339-G343 PolarHBondContact O-N 3.44Å
344	F	28.2	Very low	30.3	Very low	200 Å²	200	110.6 Å²	110.6	88%	0.877	61%	0.61	S	S	*	*			trans	-130.9	103	-180	-80.3	-89.6	0	0	0	111
345	S	25.1	Very low	30.1	Very low	93 Å²	93	112.7 Å²	112.7	65%	0.65	62%	0.615	S	S	*	*			trans	-141.2	60.3	174.2	-76.2	0	0	0	0	110.9	Q347	S345-Q347 PolarHBondContact O-N 3.18Å
346	D	28.2	Very low	30.2	Very low	113 Å²	113	114.5 Å²	114.5	60%	0.604	62%	0.623	S	S	*	*			trans	-66.3	110.4	161.8	176.7	3.4	0	0	0	108.9	S348	D346-S348 PolarHBondContact O-N 2.85Å; D346-S348 WeakPolarHBondContact OD1-CB 3.37Å; D346-S348 PolarHBondContact OD1-N 2.82Å; D346-S348 PolarHBondContact OD1-OG 3.28Å; D346-S348 PolarHBondContact OD2-OG 3.23Å
347	Q	27.8	Very low	30	Very low	190 Å²	190	112.3 Å²	112.3	89%	0.888	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	4.4	-174.5	-65.5	-176.2	-24.1	0	0	113.7	S345	S345-Q347 PolarHBondContact O-N 3.18Å
348	S	28	Very low	29.9	Very low	79 Å²	79	112.6 Å²	112.6	55%	0.552	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-25.5	-175.2	68.1	0	0	0	0	115.5	D346 Q350	D346-S348 PolarHBondContact O-N 2.85Å; D346-S348 WeakPolarHBondContact OD1-CB 3.37Å; D346-S348 PolarHBondContact OD1-N 2.82Å; D346-S348 PolarHBondContact OD1-OG 3.28Å; D346-S348 PolarHBondContact OD2-OG 3.23Å; S348-Q350 PolarHBondContact O-N 3.27Å
349	R	27.8	Very low	29.9	Very low	167 Å²	167	113.5 Å²	113.5	63%	0.63	60%	0.6	S	S	*	*			trans	-91.2	76.8	-164.6	-72.9	179	163.7	-167.3	-11.3	114.5	E407	R349-E407 IonicContact NH2-OE1 3.49Å; R349-E407 PolarHBondContact NH2-OE1 2.95Å
350	Q	27.5	Very low	30.2	Very low	134 Å²	134	113 Å²	113	63%	0.626	59%	0.589	S	S	*	*			trans	-73.8	148.5	164.6	-71.8	-168.7	-3.7	0	0	112.6	S348 Y352	S348-Q350 PolarHBondContact O-N 3.27Å; Q350-Y352 WeakPolarHBondContact O-CD2 3.43Å; Q350-Y352 PolarHBondContact O-N 2.78Å
351	P	25.2	Very low	30.3	Very low	123 Å²	123	111.1 Å²	111.1	80%	0.799	57%	0.568	S	S	*	*			trans	-81.9	106.4	179.5	32	-33.5	0	0	0	112.4
352	Y	28.2	Very low	30.3	Very low	135 Å²	135	112.2 Å²	112.2	53%	0.529	57%	0.569	S	S	.	*			trans	-81.6	120.5	179.2	-75	-93	0	0	0	113.1	Q350 R354	Q350-Y352 WeakPolarHBondContact O-CD2 3.43Å; Q350-Y352 PolarHBondContact O-N 2.78Å; Y352-R354 PolarHBondContact O-N 2.89Å; Y352-R354 VanDerWaalsContact O-N 3.14Å
353	L	25.9	Very low	30.5	Very low	128 Å²	128	112.5 Å²	112.5	67%	0.67	57%	0.567	S	S	*	*			trans	-72.3	95.9	165.8	-92.2	155.2	0	0	0	110.4	F355	L353-F355 PolarHBondContact O-N 2.82Å
354	R	34.5	Very low	30.8	Very low	77 Å²	77	111.8 Å²	111.8	29%	0.291	56%	0.556	S	S	.	*			trans	-79.8	82.2	-172.2	-76.1	179.1	168.7	171.8	-9.3	114.5	Y352 E398 R400	Y352-R354 PolarHBondContact O-N 2.89Å; Y352-R354 VanDerWaalsContact O-N 3.14Å; R354-E398 IonicContact CZ-OE1 2.77Å; R354-E398 IonicContact CZ-OE2 3.2Å; R354-E398 IonicContact NE-OE2 2.73Å; R354-E398 PolarHBondContact NE-OE2 2.99Å; R354-E398 IonicContact NH1-OE2 2.87Å; R354-E398 PolarHBondContact NH1-OE2 3.24Å; R354-E398 IonicContact NH2-OE1 2.67Å; R354-E398 PolarHBondContact NH2-OE1 2.98Å; R354-E398 IonicContact NH2-OE2 2.7Å; R354-E398 PolarHBondContact NH2-OE2 3.32Å; R354-R400 VanDerWaalsContact NH2-NH2 3.14Å
355	F	33.3	Very low	30.9	Very low	152 Å²	152	110.9 Å²	110.9	67%	0.667	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-14.3	165.4	-79.2	-84	0	0	0	117.7	L353 F357	L353-F355 PolarHBondContact O-N 2.82Å; F355-F357 VanDerWaalsContact C-N 3.27Å; F355-F357 PolarHBondContact O-N 3.07Å
356	P	33.7	Very low	31.1	Very low	86 Å²	86	115.2 Å²	115.2	56%	0.558	56%	0.562	S	S	*	*	H	α-helix	trans	-62.2	-29.9	175.1	-26.4	36.2	0	0	0	114.8	K359 R360	P356-K359 PolarHBondContact O-N 3.13Å; P356-R360 PolarHBondContact O-N 2.88Å
357	F	35.1	Very low	31.2	Very low	55 Å²	55	118 Å²	118	24%	0.241	57%	0.571	C	S	.	*	H	α-helix	trans	-60.1	-54.5	-173.6	177.3	-114.2	0	0	0	112.8	F355 K359 R360 L361 L396 I416 L418	F355-F357 VanDerWaalsContact C-N 3.27Å; F355-F357 PolarHBondContact O-N 3.07Å; F357-K359 PolarHBondContact O-N 3.17Å; F357-K359 VanDerWaalsContact O-N 3.12Å; F357-R360 PolarHBondContact O-N 2.99Å; F357-L361 HydrophobicContact CD1-CD1 3.86Å; F357-L361 HydrophobicContact CD2-CD1 4.15Å; F357-L361 HydrophobicContact CE1-CD1 3.48Å; F357-L361 VanDerWaalsContact CE1-CD1 3.48Å; F357-L361 HydrophobicContact CE2-CD1 3.79Å; F357-L361 HydrophobicContact CG-CD1 4.19Å; F357-L361 HydrophobicContact CZ-CD1 3.44Å; F357-L361 VanDerWaalsContact CZ-CD1 3.44Å; F357-L361 PolarHBondContact O-N 2.86Å; F357-L396 HydrophobicContact CE2-CD2 3.76Å; F357-L396 HydrophobicContact CZ-CD2 3.6Å; F357-I416 HydrophobicContact CD1-CD1 3.85Å; F357-I416 HydrophobicContact CE1-CD1 3.97Å; F357-L418 HydrophobicContact CE1-CD1 4.32Å
358	L	32.2	Very low	31.2	Very low	62 Å²	62	114.1 Å²	114.1	33%	0.325	56%	0.564	S	S	.	*	H	α-helix	trans	-52.1	-36.1	175.3	-96.3	150.7	0	0	0	112.6	L361 L362 I416	L358-L361 PolarHBondContact O-N 2.03Å; L358-L362 HydrophobicContact CD2-CD1 4.13Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 VanDerWaalsContact O-CG 3.28Å; L358-L362 WeakPolarHBondContact O-CG 3.42Å; L358-L362 PolarHBondContact O-N 2.84Å; L358-I416 HydrophobicContact CD1-CD1 3.92Å; L358-I416 HydrophobicContact CD2-CG2 4.21Å; L358-I416 HydrophobicContact CG-CD1 3.92Å
359	K	34.7	Very low	31.2	Very low	107 Å²	107	115 Å²	115	47%	0.465	57%	0.571	S	S	.	*	H	α-helix	trans	-75.9	-27.9	-178.8	-163.7	170.1	-176.8	178.5	0	113.3	P356 F357 N363 L652	P356-K359 PolarHBondContact O-N 3.13Å; F357-K359 PolarHBondContact O-N 3.17Å; F357-K359 VanDerWaalsContact O-N 3.12Å; K359-N363 WeakPolarHBondContact O-CB 3.46Å; K359-N363 PolarHBondContact O-N 2.85Å; K359-L652 HydrophobicContact CD-CD1 4.42Å
360	R	38.3	Very low	31.3	Very low	119 Å²	119	113.5 Å²	113.5	45%	0.449	58%	0.575	S	S	.	*	H	α-helix	trans	-69.6	-40.2	170.8	-78.9	-171.9	169	134.6	4.1	111.9	P356 F357 W657	P356-R360 PolarHBondContact O-N 2.88Å; F357-R360 PolarHBondContact O-N 2.99Å; R360-W657 VanDerWaalsContact NH1-CH2 3.29Å
361	L	34.3	Very low	31.4	Very low	39 Å²	39	114.4 Å²	114.4	20%	0.204	58%	0.579	C	S	.	*	H	α-helix	trans	-65.7	-40.8	176.8	-78.4	146.9	0	0	0	112.7	F357 L358 F387 L418	F357-L361 HydrophobicContact CD1-CD1 3.86Å; F357-L361 HydrophobicContact CD2-CD1 4.15Å; F357-L361 HydrophobicContact CE1-CD1 3.48Å; F357-L361 VanDerWaalsContact CE1-CD1 3.48Å; F357-L361 HydrophobicContact CE2-CD1 3.79Å; F357-L361 HydrophobicContact CG-CD1 4.19Å; F357-L361 HydrophobicContact CZ-CD1 3.44Å; F357-L361 VanDerWaalsContact CZ-CD1 3.44Å; F357-L361 PolarHBondContact O-N 2.86Å; L358-L361 PolarHBondContact O-N 2.03Å; L361-F387 HydrophobicContact CD2-CE2 4.37Å; L361-L418 HydrophobicContact CD1-CD1 3.55Å; L361-L418 HydrophobicContact CD2-CD1 4.41Å; L361-L418 HydrophobicContact CG-CD1 4.5Å
362	L	33.4	Very low	31.5	Very low	135 Å²	135	115.5 Å²	115.5	71%	0.707	57%	0.574	S	S	*	*	H	α-helix	trans	-87	-10.4	-175.4	-66.5	170	0	0	0	115.3	L358	L358-L362 HydrophobicContact CD2-CD1 4.13Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 VanDerWaalsContact O-CG 3.28Å; L358-L362 WeakPolarHBondContact O-CG 3.42Å; L358-L362 PolarHBondContact O-N 2.84Å
363	N	34.4	Very low	31.5	Very low	113 Å²	113	118.9 Å²	118.9	60%	0.604	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	5.9	-178.3	-84.5	25.3	0	0	0	114.5	K359 K365	K359-N363 WeakPolarHBondContact O-CB 3.46Å; K359-N363 PolarHBondContact O-N 2.85Å; N363-K365 PolarHBondContact O-N 2.87Å
364	A	31.7	Very low	31.6	Very low	41 Å²	41	120.1 Å²	120.1	34%	0.339	59%	0.593	S	S	.	*			trans	-64.2	123.4	177.8	0	0	0	0	0	110.5
365	K	30.1	Very low	31.4	Very low	180 Å²	180	120.8 Å²	120.8	78%	0.783	61%	0.609	S	S	*	*			trans	-63.3	143.2	169.2	-86.7	-174.4	173.4	-177.6	0	109.6	N363 H367	N363-K365 PolarHBondContact O-N 2.87Å; K365-H367 PolarHBondContact O-N 2.67Å
366	E	27.8	Very low	31.2	Very low	184 Å²	184	117.3 Å²	117.3	86%	0.86	60%	0.602	S	S	*	*			trans	-65.3	110.7	171.4	-167.1	164.7	-132.8	0	0	109.4
367	H	31.7	Very low	31.2	Very low	172 Å²	172	118.8 Å²	118.8	80%	0.796	60%	0.604	S	S	*	*			trans	-112.1	119.7	167.7	-82.5	-25.9	0	0	0	108.1	K365	K365-H367 PolarHBondContact O-N 2.67Å
368	S	27.3	Very low	30.8	Very low	108 Å²	108	123.4 Å²	123.4	76%	0.755	64%	0.637	S	S	*	*			trans	-85.9	153.4	172.6	55.5	0	0	0	0	110.7
369	S	27.9	Very low	30.5	Very low	99 Å²	99	123.7 Å²	123.7	69%	0.692	66%	0.655	S	S	*	*			trans	77	135.9	-173.8	108.5	0	0	0	0	112.5
370	D	30.8	Very low	30.2	Very low	134 Å²	134	124.3 Å²	124.3	72%	0.717	66%	0.663	S	S	*	*			cis	-142.7	157.3	9.8	-86	-60.5	0	0	0	115.5
371	H	29.6	Very low	29.7	Very low	154 Å²	154	128.4 Å²	128.4	71%	0.713	69%	0.688	S	S	*	*			trans	18.9	117.4	159.4	-73.1	-83.8	0	0	0	123.9
372	E	27.4	Very low	29.6	Very low	146 Å²	146	135.5 Å²	135.5	68%	0.682	71%	0.712	S	S	*	*				35.3	103.2	121.8	-62.3	-172.9	107	0	0	121.1
373	R	27.2	Very low	29.4	Very low	206 Å²	206	135.9 Å²	135.9	78%	0.777	71%	0.713	S	S	*	*				179.6	165.8	98	-96.2	168.5	-163.2	-161.1	2.8	112.2
374	D	29.1	Very low	29	Very low	154 Å²	154	133.6 Å²	133.6	82%	0.824	72%	0.716	S	S	*	*			trans	46.9	99.2	165.7	-54.3	-27.7	0	0	0	117.6
375	S	29	Very low	29.1	Very low	90 Å²	90	135.5 Å²	135.5	63%	0.629	72%	0.723	S	S	*	*			trans	-146.6	115.8	174.4	-79.2	0	0	0	0	112.6	L377	S375-L377 VanDerWaalsContact C-N 3.31Å; S375-L377 PolarHBondContact O-N 3.44Å
376	P	28.8	Very low	29.6	Very low	79 Å²	79	133.5 Å²	133.5	51%	0.513	73%	0.727	S	S	.	*			trans	-82.7	66.1	-175.2	33.8	-36.3	0	0	0	112.9
377	L	34	Very low	30.7	Very low	118 Å²	118	127 Å²	127	62%	0.618	70%	0.696	S	S	*	*			trans	-129.6	52.2	178.2	-73.4	176.7	0	0	0	113.3	S375 G379	S375-L377 VanDerWaalsContact C-N 3.31Å; S375-L377 PolarHBondContact O-N 3.44Å; L377-G379 PolarHBondContact O-N 3.35Å
378	T	27.1	Very low	32.4	Very low	152 Å²	152	121.3 Å²	121.3	93%	0.933	68%	0.675	S	S	*	*			trans	-78.3	82.4	170.1	49.5	0	0	0	0	111.5
379	G	25.9	Very low	34.4	Very low	68 Å²	68	118 Å²	118	70%	0.701	65%	0.647	S	S	*	*	S	Bend	trans	-167.6	98.2	176	0	0	0	0	0	113.9	L377	L377-G379 PolarHBondContact O-N 3.35Å
380	D	29.6	Very low	36.7	Very low	119 Å²	119	117.8 Å²	117.8	64%	0.636	64%	0.636	S	S	*	*			trans	62.7	95.1	177.7	-122.5	38.1	0	0	0	116	R382	D380-R382 PolarHBondContact O-N 3.15Å; D380-R382 IonicContact OD2-CZ 2.7Å; D380-R382 IonicContact OD2-NE 2.75Å; D380-R382 PolarHBondContact OD2-NE 3.27Å; D380-R382 IonicContact OD2-NH2 3.97Å; D380-R382 PolarHBondContact OD2-NH2 2.77Å
381	Q	27.3	Very low	38.2	Very low	206 Å²	206	114.5 Å²	114.5	96%	0.963	62%	0.616	S	S	*	*			trans	-61.8	98.1	171.8	-69	173.1	-28.5	0	0	111.4
382	R	32	Very low	39.9	Very low	187 Å²	187	108.6 Å²	108.6	71%	0.706	59%	0.591	S	S	*	*			trans	-141.9	84.3	175.7	-63.9	-170.3	-163.7	-94.1	-13.4	113.9	D380	D380-R382 PolarHBondContact O-N 3.15Å; D380-R382 IonicContact OD2-CZ 2.7Å; D380-R382 IonicContact OD2-NE 2.75Å; D380-R382 PolarHBondContact OD2-NE 3.27Å; D380-R382 IonicContact OD2-NH2 3.97Å; D380-R382 PolarHBondContact OD2-NH2 2.77Å
383	I	29.3	Very low	42	Very low	144 Å²	144	101.7 Å²	101.7	74%	0.738	56%	0.559	S	S	*	*	S	Bend	trans	48.6	112.6	147.8	-54.2	171	0	0	0	117.1	Q212	Q212-I383 VanDerWaalsContact NE2-CD1 3.25Å
384	G	26.3	Very low	44	Very low	65 Å²	65	97.4 Å²	97.4	67%	0.67	55%	0.547	S	S	*	.	S	Bend	trans	108.1	102.3	152.6	0	0	0	0	0	115.1
385	V	32.9	Very low	45.6	Very low	80 Å²	80	94.1 Å²	94.1	49%	0.485	52%	0.523	S	S	.	.			trans	62.2	102.6	168.3	-150	0	0	0	0	116	F387	V385-F387 HydrophobicContact CB-CE1 3.94Å; V385-F387 HydrophobicContact CB-CE2 4.43Å; V385-F387 HydrophobicContact CB-CZ 3.72Å; V385-F387 HydrophobicContact CG1-CD1 3.98Å; V385-F387 HydrophobicContact CG1-CE1 3.24Å; V385-F387 HydrophobicContact CG1-CZ 3.58Å
386	T	40.7	Very low	47.5	Very low	139 Å²	139	90.4 Å²	90.4	85%	0.853	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-77.6	127.1	163.1	45.6	0	0	0	0	110
387	F	50.9	Low	49.5	Very low	47 Å²	47	87.6 Å²	87.6	21%	0.206	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-103.2	145.5	171.9	-55.9	-59.5	0	0	0	110.5	L361 V385 E391 R395	L361-F387 HydrophobicContact CD2-CE2 4.37Å; V385-F387 HydrophobicContact CB-CE1 3.94Å; V385-F387 HydrophobicContact CB-CE2 4.43Å; V385-F387 HydrophobicContact CB-CZ 3.72Å; V385-F387 HydrophobicContact CG1-CD1 3.98Å; V385-F387 HydrophobicContact CG1-CE1 3.24Å; V385-F387 HydrophobicContact CG1-CZ 3.58Å; F387-E391 HydrophobicContact CB-CB 4.22Å; F387-R395 VanDerWaalsContact CD1-NH2 3.26Å; F387-R395 VanDerWaalsContact CZ-NH1 3.29Å
388	S	67.3	Low	51.2	Low	52 Å²	52	84 Å²	84	36%	0.364	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-63	160.5	167.5	60.9	0	0	0	0	111.3	Q390 E391 T392	S388-Q390 PolarHBondContact O-N 2.98Å; S388-E391 PolarHBondContact N-OE2 3.42Å; S388-E391 PolarHBondContact O-N 3.19Å; S388-E391 WeakPolarHBondContact OG-CB 3.4Å; S388-E391 VanDerWaalsContact OG-CG 3.25Å; S388-E391 WeakPolarHBondContact OG-CG 3.35Å; S388-E391 PolarHBondContact OG-N 2.63Å; S388-E391 VanDerWaalsContact OG-N 3.11Å; S388-E391 PolarHBondContact OG-OE2 2.93Å; S388-T392 WeakPolarHBondContact O-CB 3.38Å; S388-T392 PolarHBondContact O-N 2.9Å; S388-T392 PolarHBondContact O-OG1 3.29Å
389	Q	70.5	Confident	53.4	Low	38 Å²	38	78.5 Å²	78.5	18%	0.178	42%	0.424	C	S	.	.	H	α-helix	trans	-57.1	-41.9	172.2	-69.4	-161.4	-2.8	0	0	111.3	T392 I393 F423 V503 Y508	Q389-T392 WeakPolarHBondContact O-CB 3.45Å; Q389-T392 PolarHBondContact O-N 3.35Å; Q389-I393 WeakPolarHBondContact O-CD1 3.37Å; Q389-I393 VanDerWaalsContact O-CG1 3.29Å; Q389-I393 WeakPolarHBondContact O-CG1 3.28Å; Q389-I393 PolarHBondContact O-N 2.96Å; Q389-F423 HydrophobicContact CB-CE2 4.25Å; Q389-F423 HydrophobicContact CG-CE2 3.95Å; Q389-V503 PolarHBondContact NE2-O 3.21Å; Q389-V503 PolarHBondContact OE1-O 2.92Å; Q389-Y508 HydrophobicContact CB-CE1 4.41Å; Q389-Y508 HydrophobicContact CB-CE2 4.46Å; Q389-Y508 WeakPolarHBondContact CB-OH 3.45Å; Q389-Y508 PolarHBondContact OE1-OH 2.89Å
390	Q	74.9	Confident	55.6	Low	95 Å²	95	78.6 Å²	78.6	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-48.5	179.2	-172.8	174.8	3.7	0	0	112.2	S388 T392 I393 Q394 Y508 F510	S388-Q390 PolarHBondContact O-N 2.98Å; Q390-T392 VanDerWaalsContact C-N 3.31Å; Q390-T392 PolarHBondContact O-N 3.48Å; Q390-I393 PolarHBondContact O-N 3.21Å; Q390-Q394 WeakPolarHBondContact O-CB 2.97Å; Q390-Q394 PolarHBondContact O-N 3.49Å; Q390-Y508 HydrophobicContact CB-CD1 3.85Å; Q390-Y508 HydrophobicContact CB-CE1 3.89Å; Q390-Y508 HydrophobicContact CG-CD1 4.05Å; Q390-F510 HydrophobicContact CG-CE1 3.74Å; Q390-F510 HydrophobicContact CG-CZ 4.13Å; Q390-F510 WeakPolarHBondContact O-CE1 3.19Å
391	E	63.4	Low	57.7	Low	66 Å²	66	75.3 Å²	75.3	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-38.6	174.3	-77.3	176.5	92.3	0	0	112.5	F387 S388 Q394 R395	F387-E391 HydrophobicContact CB-CB 4.22Å; S388-E391 PolarHBondContact N-OE2 3.42Å; S388-E391 PolarHBondContact O-N 3.19Å; S388-E391 WeakPolarHBondContact OG-CB 3.4Å; S388-E391 VanDerWaalsContact OG-CG 3.25Å; S388-E391 WeakPolarHBondContact OG-CG 3.35Å; S388-E391 PolarHBondContact OG-N 2.63Å; S388-E391 VanDerWaalsContact OG-N 3.11Å; S388-E391 PolarHBondContact OG-OE2 2.93Å; E391-Q394 PolarHBondContact O-N 2.75Å; E391-R395 WeakPolarHBondContact O-CB 3.35Å; E391-R395 VanDerWaalsContact O-CD 3.29Å; E391-R395 WeakPolarHBondContact O-CD 3.27Å; E391-R395 WeakPolarHBondContact O-CG 3.45Å; E391-R395 PolarHBondContact O-N 3.05Å; E391-R395 IonicContact OE1-CZ 3.17Å; E391-R395 IonicContact OE1-NE 2.7Å; E391-R395 IonicContact OE1-NH2 3.43Å; E391-R395 PolarHBondContact OE1-NH2 3.12Å
392	T	64.3	Low	59.6	Low	30 Å²	30	69.6 Å²	69.6	18%	0.184	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-49.8	178.3	-58.2	0	0	0	0	109.5	S388 Q389 Q390 Q394 R395 L396 L419 F423	S388-T392 WeakPolarHBondContact O-CB 3.38Å; S388-T392 PolarHBondContact O-N 2.9Å; S388-T392 PolarHBondContact O-OG1 3.29Å; Q389-T392 WeakPolarHBondContact O-CB 3.45Å; Q389-T392 PolarHBondContact O-N 3.35Å; Q390-T392 VanDerWaalsContact C-N 3.31Å; Q390-T392 PolarHBondContact O-N 3.48Å; T392-Q394 PolarHBondContact O-N 3.46Å; T392-R395 PolarHBondContact O-N 3.26Å; T392-L396 HydrophobicContact CG2-CD1 4.08Å; T392-L396 VanDerWaalsContact O-CG 3.24Å; T392-L396 WeakPolarHBondContact O-CG 3.47Å; T392-L396 PolarHBondContact O-N 3.44Å; T392-L396 VanDerWaalsContact O-N 3.1Å; T392-L419 HydrophobicContact CG2-CD2 3.87Å; T392-F423 HydrophobicContact CG2-CE1 3.88Å; T392-F423 HydrophobicContact CG2-CZ 4.27Å
393	I	72.1	Confident	61.1	Low	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-44	175.2	-62.9	157.3	0	0	0	110.8	Q389 Q390 R395 L396 L397 L410 F423 M427 L495 L504 Y508 F510	Q389-I393 WeakPolarHBondContact O-CD1 3.37Å; Q389-I393 VanDerWaalsContact O-CG1 3.29Å; Q389-I393 WeakPolarHBondContact O-CG1 3.28Å; Q389-I393 PolarHBondContact O-N 2.96Å; Q390-I393 PolarHBondContact O-N 3.21Å; I393-R395 PolarHBondContact O-N 3.49Å; I393-L396 PolarHBondContact O-N 2.89Å; I393-L396 VanDerWaalsContact O-N 3.08Å; I393-L397 HydrophobicContact CG2-CD1 4.13Å; I393-L397 HydrophobicContact CG2-CG 4.37Å; I393-L397 WeakPolarHBondContact O-CG 2.99Å; I393-L397 PolarHBondContact O-N 3.27Å; I393-L410 HydrophobicContact CG2-CD1 4.01Å; I393-F423 HydrophobicContact CD1-CZ 4.36Å; I393-F423 HydrophobicContact CG1-CZ 4Å; I393-M427 HydrophobicContact CG1-SD 4.48Å; I393-L495 HydrophobicContact CD1-CD2 3.77Å; I393-L495 HydrophobicContact CG1-CD2 4.09Å; I393-L495 HydrophobicContact CG2-CD2 4.04Å; I393-L504 HydrophobicContact CD1-CD2 4.18Å; I393-Y508 HydrophobicContact CD1-CD1 4.47Å; I393-Y508 HydrophobicContact CD1-CD2 3.47Å; I393-Y508 VanDerWaalsContact CD1-CD2 3.47Å; I393-Y508 HydrophobicContact CD1-CE2 3.85Å; I393-Y508 HydrophobicContact CD1-CG 3.82Å; I393-F510 HydrophobicContact CB-CE2 4.29Å; I393-F510 HydrophobicContact CB-CZ 3.73Å; I393-F510 HydrophobicContact CG2-CE1 4.45Å; I393-F510 HydrophobicContact CG2-CE2 3.47Å; I393-F510 VanDerWaalsContact CG2-CE2 3.47Å; I393-F510 HydrophobicContact CG2-CZ 3.43Å; I393-F510 VanDerWaalsContact CG2-CZ 3.43Å
394	Q	69.8	Low	62.8	Low	116 Å²	116	68.9 Å²	68.9	54%	0.542	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-31.4	177.7	-169.4	177.4	-5.9	0	0	113.2	Q390 E391 T392 F510	Q390-Q394 WeakPolarHBondContact O-CB 2.97Å; Q390-Q394 PolarHBondContact O-N 3.49Å; E391-Q394 PolarHBondContact O-N 2.75Å; T392-Q394 PolarHBondContact O-N 3.46Å; Q394-F510 HydrophobicContact CB-CD1 4.09Å; Q394-F510 HydrophobicContact CB-CE1 3.8Å; Q394-F510 HydrophobicContact CG-CD1 4.24Å; Q394-F510 HydrophobicContact CG-CE1 4.44Å
395	R	62	Low	65.2	Low	85 Å²	85	66.5 Å²	66.5	32%	0.321	34%	0.339	S	S	.	.	H	α-helix	trans	-84	-20.7	177.6	-67.1	160.8	-169.9	-121	7.4	113.3	F387 E391 T392 I393	F387-R395 VanDerWaalsContact CD1-NH2 3.26Å; F387-R395 VanDerWaalsContact CZ-NH1 3.29Å; E391-R395 WeakPolarHBondContact O-CB 3.35Å; E391-R395 VanDerWaalsContact O-CD 3.29Å; E391-R395 WeakPolarHBondContact O-CD 3.27Å; E391-R395 WeakPolarHBondContact O-CG 3.45Å; E391-R395 PolarHBondContact O-N 3.05Å; E391-R395 IonicContact OE1-CZ 3.17Å; E391-R395 IonicContact OE1-NE 2.7Å; E391-R395 IonicContact OE1-NH2 3.43Å; E391-R395 PolarHBondContact OE1-NH2 3.12Å; T392-R395 PolarHBondContact O-N 3.26Å; I393-R395 PolarHBondContact O-N 3.49Å
396	L	67.7	Low	67.5	Low	12 Å²	12	62.8 Å²	62.8	6%	0.063	32%	0.316	C	S	.	.	H	α-helix	trans	-86.8	-19.8	173.2	-65.6	168.5	0	0	0	112.6	F357 T392 I393 L410 D411 L419 F423 M427	F357-L396 HydrophobicContact CE2-CD2 3.76Å; F357-L396 HydrophobicContact CZ-CD2 3.6Å; T392-L396 HydrophobicContact CG2-CD1 4.08Å; T392-L396 VanDerWaalsContact O-CG 3.24Å; T392-L396 WeakPolarHBondContact O-CG 3.47Å; T392-L396 PolarHBondContact O-N 3.44Å; T392-L396 VanDerWaalsContact O-N 3.1Å; I393-L396 PolarHBondContact O-N 2.89Å; I393-L396 VanDerWaalsContact O-N 3.08Å; L396-L410 HydrophobicContact CB-CD1 3.68Å; L396-D411 WeakPolarHBondContact CB-O 3.2Å; L396-D411 VanDerWaalsContact CD2-O 3.3Å; L396-D411 WeakPolarHBondContact CD2-O 3.34Å; L396-D411 PolarHBondContact O-N 3.2Å; L396-L419 HydrophobicContact CD1-CD1 4.39Å; L396-L419 HydrophobicContact CD1-CD2 4.06Å; L396-F423 HydrophobicContact CD1-CE1 4.49Å; L396-M427 HydrophobicContact CD1-CE 3.63Å; L396-M427 HydrophobicContact CD1-SD 3.72Å
397	L	70.8	Confident	69.5	Low	21 Å²	21	56.8 Å²	56.8	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.3	173	-75.8	169.2	0	0	0	111.8	I393 I408 I409 L410 L432 F510	I393-L397 HydrophobicContact CG2-CD1 4.13Å; I393-L397 HydrophobicContact CG2-CG 4.37Å; I393-L397 WeakPolarHBondContact O-CG 2.99Å; I393-L397 PolarHBondContact O-N 3.27Å; L397-I408 HydrophobicContact CD2-CG2 3.92Å; L397-I409 CarbonylContact C-O 3.6Å; L397-I409 WeakPolarHBondContact CA-O 3.25Å; L397-L410 HydrophobicContact CD2-CB 4.04Å; L397-L410 HydrophobicContact CD2-CD1 3.85Å; L397-L410 HydrophobicContact CG-CD1 3.8Å; L397-L432 HydrophobicContact CD2-CD2 4.2Å; L397-F510 HydrophobicContact CD1-CB 4.24Å; L397-F510 HydrophobicContact CD1-CD1 4.25Å; L397-F510 HydrophobicContact CD1-CD2 3.49Å; L397-F510 VanDerWaalsContact CD1-CD2 3.49Å; L397-F510 HydrophobicContact CD1-CE2 3.87Å; L397-F510 HydrophobicContact CD1-CG 3.7Å; L397-F510 HydrophobicContact CD1-CZ 4.41Å
398	E	71.3	Confident	71	Confident	41 Å²	41	54.5 Å²	54.5	19%	0.192	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.1	170.9	-174	-177.4	141.1	0	0	109.5	R354 R400 I408 I409 W657	R354-E398 IonicContact CZ-OE1 2.77Å; R354-E398 IonicContact CZ-OE2 3.2Å; R354-E398 IonicContact NE-OE2 2.73Å; R354-E398 PolarHBondContact NE-OE2 2.99Å; R354-E398 IonicContact NH1-OE2 2.87Å; R354-E398 PolarHBondContact NH1-OE2 3.24Å; R354-E398 IonicContact NH2-OE1 2.67Å; R354-E398 PolarHBondContact NH2-OE1 2.98Å; R354-E398 IonicContact NH2-OE2 2.7Å; R354-E398 PolarHBondContact NH2-OE2 3.32Å; E398-R400 IonicContact OE1-NE 3.33Å; E398-R400 PolarHBondContact OE1-NE 3.03Å; E398-I408 WeakPolarHBondContact O-CA 3.44Å; E398-I409 PolarHBondContact N-O 2.82Å; E398-I409 PolarHBondContact O-N 2.97Å; E398-W657 HydrophobicContact CG-CZ3 4.44Å
399	T	73	Confident	71.5	Confident	38 Å²	38	52.2 Å²	52.2	23%	0.233	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.4	172.9	-54.5	0	0	0	0	109	I406 I408	T399-I406 HydrophobicContact CG2-CG2 4.23Å; T399-I408 HydrophobicContact CG2-CD1 3.61Å
400	R	71.9	Confident	71.9	Confident	70 Å²	70	50.4 Å²	50.4	26%	0.264	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.6	172.4	-65	169.3	156.3	-152.9	-18.2	110.4	R354 E398 I406 E407	R354-R400 VanDerWaalsContact NH2-NH2 3.14Å; E398-R400 IonicContact OE1-NE 3.33Å; E398-R400 PolarHBondContact OE1-NE 3.03Å; R400-I406 WeakPolarHBondContact O-CA 3.35Å; R400-E407 HydrophobicContact CB-CB 4.19Å; R400-E407 WeakPolarHBondContact CB-O 3.34Å; R400-E407 WeakPolarHBondContact CD-OE2 3.33Å; R400-E407 IonicContact CZ-OE2 3.72Å; R400-E407 PolarHBondContact N-O 3.15Å; R400-E407 IonicContact NE-OE2 2.77Å; R400-E407 IonicContact NH1-OE2 3.21Å; R400-E407 PolarHBondContact NH1-OE2 2.87Å; R400-E407 PolarHBondContact O-N 3.05Å; R400-E407 VanDerWaalsContact O-N 3.13Å
401	C	73.1	Confident	71.8	Confident	50 Å²	50	48 Å²	48	34%	0.338	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	83.5	179.3	-66.3	0	0	0	0	108.8	Y463 C514 L516	C401-Y463 WeakPolarHBondContact CA-OH 3.4Å; C401-C514 HydrophobicContact CB-CB 4.49Å; C401-C514 WeakPolarHBondContact CB-SG 3.31Å; C401-C514 WeakPolarHBondContact SG-CA 3.44Å; C401-C514 WeakPolarHBondContact SG-CB 3.27Å; C401-C514 CovalentContact SG-SG 2.03Å; C401-C514 PolarHBondContact SG-SG 3.24Å; C401-L516 HydrophobicContact CB-CD2 4.34Å
402	D	67.3	Low	72.2	Confident	85 Å²	85	45.3 Å²	45.3	46%	0.455	22%	0.221	S	C	.	.			trans	-87.9	-176.9	178.3	-74	-53.4	0	0	0	110.6	G405 Y463	D402-G405 PolarHBondContact N-O 3.01Å; D402-G405 VanDerWaalsContact N-O 3.15Å; D402-Y463 PolarHBondContact N-OH 3.39Å; D402-Y463 WeakPolarHBondContact O-CE2 3.31Å; D402-Y463 PolarHBondContact O-OH 3.05Å
403	R	63.1	Low	72.4	Confident	170 Å²	170	46 Å²	46	64%	0.642	22%	0.224	S	C	*	.	S	Bend	trans	-72.7	-33.6	-178.5	-64.4	-177	-174.4	-136	-4.6	112.8	D522	R403-D522 IonicContact CZ-OD1 3.78Å; R403-D522 IonicContact NH1-OD1 2.67Å; R403-D522 PolarHBondContact NH1-OD1 2.83Å; R403-D522 IonicContact NH2-OD1 3.05Å; R403-D522 PolarHBondContact NH2-OD1 2.88Å
404	D	65.1	Low	71.6	Confident	147 Å²	147	47.1 Å²	47.1	79%	0.786	23%	0.23	S	C	*	.	S	Bend	trans	-101.6	-18.3	-164.4	-45.9	-66.5	0	0	0	111.9
405	G	77.9	Confident	70.4	Confident	15 Å²	15	50.8 Å²	50.8	16%	0.155	24%	0.239	C	C	.	.			trans	-179.8	-166.2	177.2	0	0	0	0	0	113.1	D402 F461 Y463	D402-G405 PolarHBondContact N-O 3.01Å; D402-G405 VanDerWaalsContact N-O 3.15Å; G405-F461 WeakPolarHBondContact CA-O 3.4Å; G405-Y463 WeakPolarHBondContact O-CE2 3.29Å; G405-Y463 PolarHBondContact O-OH 3.11Å
406	I	80	Confident	69.2	Low	2 Å²	2	50.4 Å²	50.4	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.4	178.3	-61.8	167.7	0	0	0	107.9	T399 R400 I408 A460 F461 Y463 V468 M491 C514	T399-I406 HydrophobicContact CG2-CG2 4.23Å; R400-I406 WeakPolarHBondContact O-CA 3.35Å; I406-I408 HydrophobicContact CG2-CD1 3.68Å; I406-I408 HydrophobicContact CG2-CG1 4.35Å; I406-A460 VanDerWaalsContact O-CA 3.32Å; I406-A460 WeakPolarHBondContact O-CA 3.4Å; I406-F461 HydrophobicContact CB-CD2 4.2Å; I406-F461 HydrophobicContact CB-CE2 3.79Å; I406-F461 HydrophobicContact CB-CZ 4.07Å; I406-F461 HydrophobicContact CD1-CD2 4.46Å; I406-F461 HydrophobicContact CD1-CE2 3.83Å; I406-F461 HydrophobicContact CG1-CE2 4.37Å; I406-F461 HydrophobicContact CG2-CE1 4.42Å; I406-F461 HydrophobicContact CG2-CE2 3.95Å; I406-F461 HydrophobicContact CG2-CZ 3.75Å; I406-F461 PolarHBondContact N-O 3.48Å; I406-F461 PolarHBondContact O-N 3.35Å; I406-Y463 HydrophobicContact CD1-CD1 3.8Å; I406-Y463 HydrophobicContact CD1-CE1 3.72Å; I406-Y463 HydrophobicContact CG1-CD1 3.93Å; I406-Y463 HydrophobicContact CG1-CE1 3.48Å; I406-Y463 VanDerWaalsContact CG1-CE1 3.48Å; I406-Y463 HydrophobicContact CG1-CE2 4.49Å; I406-V468 HydrophobicContact CD1-CG1 4.46Å; I406-M491 HydrophobicContact CD1-CE 3.93Å; I406-M491 HydrophobicContact CD1-SD 4.03Å; I406-M491 HydrophobicContact CG2-SD 3.99Å; I406-C514 HydrophobicContact CD1-CB 4.3Å
407	E	83.1	Confident	67.7	Low	12 Å²	12	52.4 Å²	52.4	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.2	172.1	-176.3	-173.8	-142.2	0	0	109	R349 R400 I409 R458	R349-E407 IonicContact NH2-OE1 3.49Å; R349-E407 PolarHBondContact NH2-OE1 2.95Å; R400-E407 HydrophobicContact CB-CB 4.19Å; R400-E407 WeakPolarHBondContact CB-O 3.34Å; R400-E407 WeakPolarHBondContact CD-OE2 3.33Å; R400-E407 IonicContact CZ-OE2 3.72Å; R400-E407 PolarHBondContact N-O 3.15Å; R400-E407 IonicContact NE-OE2 2.77Å; R400-E407 IonicContact NH1-OE2 3.21Å; R400-E407 PolarHBondContact NH1-OE2 2.87Å; R400-E407 PolarHBondContact O-N 3.05Å; R400-E407 VanDerWaalsContact O-N 3.13Å; E407-I409 HydrophobicContact CG-CD1 4.36Å; E407-I409 HydrophobicContact CG-CG1 3.97Å; E407-R458 WeakPolarHBondContact OE1-CD 3.39Å; E407-R458 IonicContact OE1-CZ 3.71Å; E407-R458 IonicContact OE1-NH1 2.86Å; E407-R458 PolarHBondContact OE1-NH1 2.88Å; E407-R458 IonicContact OE2-NH1 2.77Å
408	I	81.8	Confident	66.5	Low	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.8	170.6	-47.9	-57.3	0	0	0	108.4	L397 E398 T399 I406 R458 L459 F461 M491 V493 L512	L397-I408 HydrophobicContact CD2-CG2 3.92Å; E398-I408 WeakPolarHBondContact O-CA 3.44Å; T399-I408 HydrophobicContact CG2-CD1 3.61Å; I406-I408 HydrophobicContact CG2-CD1 3.68Å; I406-I408 HydrophobicContact CG2-CG1 4.35Å; I408-R458 CarbonylContact O-C 3.57Å; I408-R458 VanDerWaalsContact O-CA 3.29Å; I408-R458 WeakPolarHBondContact O-CA 3.28Å; I408-L459 HydrophobicContact CB-CB 4.27Å; I408-L459 PolarHBondContact N-O 3.25Å; I408-L459 PolarHBondContact O-N 2.9Å; I408-F461 HydrophobicContact CD1-CZ 4.46Å; I408-F461 HydrophobicContact CG1-CE1 3.83Å; I408-F461 HydrophobicContact CG1-CZ 4.1Å; I408-M491 HydrophobicContact CD1-SD 4.4Å; I408-V493 HydrophobicContact CG1-CG2 4.33Å; I408-L512 HydrophobicContact CD1-CD1 3.96Å; I408-L512 HydrophobicContact CG1-CD1 4.48Å; I408-L512 HydrophobicContact CG2-CD1 4.19Å
409	I	78.9	Confident	65.8	Low	4 Å²	4	55 Å²	55	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.6	179	-54.3	-179.9	0	0	0	108.7	L397 E398 E407 L457 R458	L397-I409 CarbonylContact C-O 3.6Å; L397-I409 WeakPolarHBondContact CA-O 3.25Å; E398-I409 PolarHBondContact N-O 2.82Å; E398-I409 PolarHBondContact O-N 2.97Å; E407-I409 HydrophobicContact CG-CD1 4.36Å; E407-I409 HydrophobicContact CG-CG1 3.97Å; I409-L457 WeakPolarHBondContact CA-O 3.39Å; I409-R458 HydrophobicContact CG1-CG 4.3Å; I409-R458 HydrophobicContact CG2-CG 4.43Å
410	L	79.2	Confident	65.3	Low	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	104.8	164.1	-177.5	80.6	0	0	0	108.2	I393 L396 L397 M427 L432 S456 L457 L495	I393-L410 HydrophobicContact CG2-CD1 4.01Å; L396-L410 HydrophobicContact CB-CD1 3.68Å; L397-L410 HydrophobicContact CD2-CB 4.04Å; L397-L410 HydrophobicContact CD2-CD1 3.85Å; L397-L410 HydrophobicContact CG-CD1 3.8Å; L410-M427 HydrophobicContact CD2-CB 4.46Å; L410-M427 HydrophobicContact CD2-CG 4.44Å; L410-M427 HydrophobicContact CD2-SD 4.1Å; L410-L432 HydrophobicContact CB-CD1 4.09Å; L410-L432 HydrophobicContact CB-CD2 4.42Å; L410-S456 CarbonylContact O-C 3.59Å; L410-S456 VanDerWaalsContact O-CA 3.24Å; L410-S456 WeakPolarHBondContact O-CA 3.29Å; L410-L457 HydrophobicContact CB-CB 4.23Å; L410-L457 HydrophobicContact CD2-CD1 4.01Å; L410-L457 HydrophobicContact CD2-CG 4.38Å; L410-L457 PolarHBondContact N-O 2.83Å; L410-L457 PolarHBondContact O-N 2.93Å; L410-L495 HydrophobicContact CD2-CD1 3.85Å
411	D	72.6	Confident	64.9	Low	45 Å²	45	58.7 Å²	58.7	24%	0.241	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.8	172.1	-162.2	-37.8	0	0	0	108.5	L396 N413	L396-D411 WeakPolarHBondContact CB-O 3.2Å; L396-D411 VanDerWaalsContact CD2-O 3.3Å; L396-D411 WeakPolarHBondContact CD2-O 3.34Å; L396-D411 PolarHBondContact O-N 3.2Å; D411-N413 WeakPolarHBondContact OD1-CB 3.43Å; D411-N413 PolarHBondContact OD1-N 2.67Å; D411-N413 VanDerWaalsContact OD1-N 3.1Å
412	H	71.8	Confident	64.8	Low	8 Å²	8	58.6 Å²	58.6	4%	0.037	31%	0.306	C	S	.	.			trans	-115.7	16.5	179.5	57.3	-97.6	0	0	0	112.8	N414 M427 S428 D455 S456	H412-N414 PolarHBondContact O-N 3.25Å; H412-M427 HydrophobicContact CB-CB 3.94Å; H412-M427 HydrophobicContact CB-CE 3.8Å; H412-M427 HydrophobicContact CB-SD 4.44Å; H412-S428 VanDerWaalsContact NE2-CB 3.33Å; H412-S428 WeakPolarHBondContact NE2-CB 3.15Å; H412-D455 VanDerWaalsContact CE1-C 3.44Å; H412-D455 PolarHBondContact N-O 2.86Å; H412-S456 PolarHBondContact CE1-N 3.43Å; H412-S456 VanDerWaalsContact CE1-N 3.25Å
413	N	68.1	Low	65.1	Low	44 Å²	44	55.3 Å²	55.3	24%	0.235	29%	0.288	C	S	.	.			trans	-74.5	104.9	-168.3	-160	-12.5	0	0	0	113.5	D411 R415 D455	D411-N413 WeakPolarHBondContact OD1-CB 3.43Å; D411-N413 PolarHBondContact OD1-N 2.67Å; D411-N413 VanDerWaalsContact OD1-N 3.1Å; N413-R415 PolarHBondContact ND2-NE 3.21Å; N413-R415 PolarHBondContact O-N 3.09Å; N413-R415 VanDerWaalsContact O-N 3.08Å; N413-R415 WeakPolarHBondContact OD1-CD 3.34Å; N413-R415 WeakPolarHBondContact OD1-CG 3.41Å; N413-R415 PolarHBondContact OD1-NE 2.93Å; N413-D455 HydrophobicContact CB-CB 3.95Å; N413-D455 PolarHBondContact ND2-OD2 3.34Å
414	N	55.7	Low	65.5	Low	25 Å²	25	49.6 Å²	49.6	13%	0.134	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-82.9	20.8	-174.2	-161.9	15.9	0	0	0	115	H412 I416 G417 L418 L419 E424	H412-N414 PolarHBondContact O-N 3.25Å; N414-I416 PolarHBondContact O-N 3.45Å; N414-G417 PolarHBondContact O-N 3.12Å; N414-G417 VanDerWaalsContact OD1-CA 3.32Å; N414-G417 WeakPolarHBondContact OD1-CA 3.36Å; N414-G417 PolarHBondContact OD1-N 3.48Å; N414-L418 PolarHBondContact OD1-N 2.99Å; N414-L418 VanDerWaalsContact OD1-N 3.13Å; N414-L419 HydrophobicContact CB-CB 4.37Å; N414-L419 VanDerWaalsContact CG-O 3.32Å; N414-L419 PolarHBondContact ND2-O 2.94Å; N414-L419 PolarHBondContact OD1-N 2.84Å; N414-L419 PolarHBondContact OD1-O 2.85Å; N414-L419 VanDerWaalsContact OD1-O 3.13Å; N414-E424 HydrophobicContact CB-CB 4.35Å; N414-E424 HydrophobicContact CB-CG 4.2Å; N414-E424 WeakPolarHBondContact CB-OE1 3.44Å; N414-E424 WeakPolarHBondContact CB-OE2 3.41Å; N414-E424 PolarHBondContact N-OE1 3.13Å; N414-E424 PolarHBondContact ND2-OE2 3.5Å
415	R	44.7	Very low	66.2	Low	193 Å²	193	49 Å²	49	73%	0.728	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-56.7	-16.9	179.3	-76.2	167.9	-155.2	-139.9	3.8	114.9	N413 D455	N413-R415 PolarHBondContact ND2-NE 3.21Å; N413-R415 PolarHBondContact O-N 3.09Å; N413-R415 VanDerWaalsContact O-N 3.08Å; N413-R415 WeakPolarHBondContact OD1-CD 3.34Å; N413-R415 WeakPolarHBondContact OD1-CG 3.41Å; N413-R415 PolarHBondContact OD1-NE 2.93Å; R415-D455 IonicContact CZ-OD2 3.48Å; R415-D455 IonicContact NE-OD2 2.86Å; R415-D455 PolarHBondContact NE-OD2 3.07Å; R415-D455 IonicContact NH2-OD1 2.83Å; R415-D455 IonicContact NH2-OD2 2.93Å; R415-D455 PolarHBondContact NH2-OD2 3.39Å
416	I	36.4	Very low	66.3	Low	76 Å²	76	48.3 Å²	48.3	39%	0.39	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-95.7	-14.9	179	-50.8	174.1	0	0	0	111.3	F357 L358 N414 L418	F357-I416 HydrophobicContact CD1-CD1 3.85Å; F357-I416 HydrophobicContact CE1-CD1 3.97Å; L358-I416 HydrophobicContact CD1-CD1 3.92Å; L358-I416 HydrophobicContact CD2-CG2 4.21Å; L358-I416 HydrophobicContact CG-CD1 3.92Å; N414-I416 PolarHBondContact O-N 3.45Å; I416-L418 HydrophobicContact CB-CD1 4.03Å; I416-L418 HydrophobicContact CB-CG 4.12Å; I416-L418 HydrophobicContact CG2-CD1 3.7Å; I416-L418 HydrophobicContact CG2-CG 3.82Å
417	G	36.4	Very low	66.3	Low	55 Å²	55	48.2 Å²	48.2	57%	0.567	25%	0.252	S	S	*	.	S	Bend	trans	75.4	32.9	-178.9	0	0	0	0	0	113.8	N414	N414-G417 PolarHBondContact O-N 3.12Å; N414-G417 VanDerWaalsContact OD1-CA 3.32Å; N414-G417 WeakPolarHBondContact OD1-CA 3.36Å; N414-G417 PolarHBondContact OD1-N 3.48Å
418	L	44.6	Very low	66.2	Low	92 Å²	92	49.9 Å²	49.9	48%	0.482	27%	0.265	S	S	.	.			trans	-97.5	-13.2	-178	-66.5	171.8	0	0	0	113.3	F357 L361 N414 I416	F357-L418 HydrophobicContact CE1-CD1 4.32Å; L361-L418 HydrophobicContact CD1-CD1 3.55Å; L361-L418 HydrophobicContact CD2-CD1 4.41Å; L361-L418 HydrophobicContact CG-CD1 4.5Å; N414-L418 PolarHBondContact OD1-N 2.99Å; N414-L418 VanDerWaalsContact OD1-N 3.13Å; I416-L418 HydrophobicContact CB-CD1 4.03Å; I416-L418 HydrophobicContact CB-CG 4.12Å; I416-L418 HydrophobicContact CG2-CD1 3.7Å; I416-L418 HydrophobicContact CG2-CG 3.82Å
419	L	56.6	Low	66.3	Low	24 Å²	24	53.4 Å²	53.4	13%	0.126	28%	0.28	C	S	.	.	S	Bend	trans	-112.9	155.6	177.1	-50.2	173	0	0	0	108.1	T392 L396 N414 F423 M427	T392-L419 HydrophobicContact CG2-CD2 3.87Å; L396-L419 HydrophobicContact CD1-CD1 4.39Å; L396-L419 HydrophobicContact CD1-CD2 4.06Å; N414-L419 HydrophobicContact CB-CB 4.37Å; N414-L419 VanDerWaalsContact CG-O 3.32Å; N414-L419 PolarHBondContact ND2-O 2.94Å; N414-L419 PolarHBondContact OD1-N 2.84Å; N414-L419 PolarHBondContact OD1-O 2.85Å; N414-L419 VanDerWaalsContact OD1-O 3.13Å; L419-F423 HydrophobicContact CB-CD1 4.43Å; L419-F423 HydrophobicContact CD2-CD1 3.99Å; L419-F423 HydrophobicContact CD2-CE1 4.2Å; L419-M427 HydrophobicContact CD1-CE 3.6Å; L419-M427 HydrophobicContact CD2-CE 4.41Å
420	S	62.7	Low	66.6	Low	31 Å²	31	53.2 Å²	53.2	22%	0.217	28%	0.279	C	S	.	.			trans	-74.4	147.2	163.4	71.9	0	0	0	0	109.3	A422 F423 E424	S420-A422 PolarHBondContact O-N 3.13Å; S420-A422 VanDerWaalsContact O-N 3.07Å; S420-F423 PolarHBondContact O-N 3.04Å; S420-F423 WeakPolarHBondContact OG-CB 3.38Å; S420-F423 PolarHBondContact OG-N 2.83Å; S420-E424 PolarHBondContact O-N 3.06Å
421	M	65	Low	66.9	Low	155 Å²	155	54.4 Å²	54.4	76%	0.764	29%	0.289	S	S	*	.	H	α-helix	trans	-57.7	-21.4	171.5	-77.7	-177.6	-82.4	0	0	112.2	K425	M421-K425 WeakPolarHBondContact O-CB 3.16Å; M421-K425 PolarHBondContact O-N 2.71Å
422	A	70.8	Confident	67.5	Low	47 Å²	47	52.6 Å²	52.6	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-72	-46.4	172.4	0	0	0	0	0	111.5	S420 K425 A426 V503	S420-A422 PolarHBondContact O-N 3.13Å; S420-A422 VanDerWaalsContact O-N 3.07Å; A422-K425 PolarHBondContact O-N 3.19Å; A422-A426 WeakPolarHBondContact O-CB 3.32Å; A422-A426 PolarHBondContact O-N 3.42Å; A422-V503 HydrophobicContact CB-CG1 4.27Å; A422-V503 HydrophobicContact CB-CG2 3.93Å
423	F	72.8	Confident	68.2	Low	16 Å²	16	54.7 Å²	54.7	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-40.5	179.6	-167.4	-99.3	0	0	0	112.3	Q389 T392 I393 L396 L419 S420 K425 A426 M427 V503 L504	Q389-F423 HydrophobicContact CB-CE2 4.25Å; Q389-F423 HydrophobicContact CG-CE2 3.95Å; T392-F423 HydrophobicContact CG2-CE1 3.88Å; T392-F423 HydrophobicContact CG2-CZ 4.27Å; I393-F423 HydrophobicContact CD1-CZ 4.36Å; I393-F423 HydrophobicContact CG1-CZ 4Å; L396-F423 HydrophobicContact CD1-CE1 4.49Å; L419-F423 HydrophobicContact CB-CD1 4.43Å; L419-F423 HydrophobicContact CD2-CD1 3.99Å; L419-F423 HydrophobicContact CD2-CE1 4.2Å; S420-F423 PolarHBondContact O-N 3.04Å; S420-F423 WeakPolarHBondContact OG-CB 3.38Å; S420-F423 PolarHBondContact OG-N 2.83Å; F423-K425 VanDerWaalsContact C-N 3.34Å; F423-K425 PolarHBondContact O-N 3.01Å; F423-A426 PolarHBondContact O-N 2.86Å; F423-M427 HydrophobicContact CD1-CE 3.38Å; F423-M427 HydrophobicContact CD1-CG 4.48Å; F423-M427 HydrophobicContact CD1-SD 4.09Å; F423-M427 HydrophobicContact CE1-CE 3.43Å; F423-M427 VanDerWaalsContact CE1-CE 3.43Å; F423-M427 HydrophobicContact CE1-CG 4.31Å; F423-M427 HydrophobicContact CE1-SD 3.6Å; F423-M427 VanDerWaalsContact CE1-SD 3.6Å; F423-M427 HydrophobicContact CG-CE 4.49Å; F423-M427 HydrophobicContact CZ-SD 4.28Å; F423-M427 WeakPolarHBondContact O-CG 3.34Å; F423-M427 PolarHBondContact O-N 3.14Å; F423-V503 HydrophobicContact CB-CG1 4.15Å; F423-V503 HydrophobicContact CD2-CG1 4.11Å; F423-L504 HydrophobicContact CD2-CD2 4.13Å; F423-L504 HydrophobicContact CE2-CD2 3.51Å; F423-L504 HydrophobicContact CE2-CG 4.4Å; F423-L504 HydrophobicContact CZ-CD2 4.13Å
424	E	72	Confident	69.2	Low	51 Å²	51	53.1 Å²	53.1	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-44.6	168.9	171.6	174.7	-141.8	0	0	112	N414 S420 S428	N414-E424 HydrophobicContact CB-CB 4.35Å; N414-E424 HydrophobicContact CB-CG 4.2Å; N414-E424 WeakPolarHBondContact CB-OE1 3.44Å; N414-E424 WeakPolarHBondContact CB-OE2 3.41Å; N414-E424 PolarHBondContact N-OE1 3.13Å; N414-E424 PolarHBondContact ND2-OE2 3.5Å; S420-E424 PolarHBondContact O-N 3.06Å; E424-S428 WeakPolarHBondContact O-CB 3.36Å; E424-S428 PolarHBondContact O-N 2.96Å; E424-S428 PolarHBondContact O-OG 3.43Å
425	K	79	Confident	70.5	Confident	134 Å²	134	53 Å²	53	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-70.8	-30.4	177.7	-174.2	179.5	-179.5	-173.8	0	113.4	M421 A422 F423 S428 K429	M421-K425 WeakPolarHBondContact O-CB 3.16Å; M421-K425 PolarHBondContact O-N 2.71Å; A422-K425 PolarHBondContact O-N 3.19Å; F423-K425 VanDerWaalsContact C-N 3.34Å; F423-K425 PolarHBondContact O-N 3.01Å; K425-S428 PolarHBondContact O-OG 3.03Å; K425-K429 WeakPolarHBondContact O-CG 3.38Å
426	A	80.9	Confident	72.1	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-73.2	-43.6	174.1	0	0	0	0	0	111	A422 F423 K429 S430 V503 L504	A422-A426 WeakPolarHBondContact O-CB 3.32Å; A422-A426 PolarHBondContact O-N 3.42Å; F423-A426 PolarHBondContact O-N 2.86Å; A426-K429 PolarHBondContact O-N 3.09Å; A426-S430 PolarHBondContact O-N 3.43Å; A426-S430 PolarHBondContact O-OG 3.42Å; A426-V503 HydrophobicContact CB-CB 4Å; A426-V503 HydrophobicContact CB-CG1 4.4Å; A426-L504 HydrophobicContact CB-CB 4.38Å; A426-L504 HydrophobicContact CB-CD1 3.66Å; A426-L504 HydrophobicContact CB-CG 3.83Å
427	M	80	Confident	73.7	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-40.6	175.1	-73.7	-168.1	-64	0	0	112.7	I393 L396 L410 H412 L419 F423 K429 S430 L457 L504	I393-M427 HydrophobicContact CG1-SD 4.48Å; L396-M427 HydrophobicContact CD1-CE 3.63Å; L396-M427 HydrophobicContact CD1-SD 3.72Å; L410-M427 HydrophobicContact CD2-CB 4.46Å; L410-M427 HydrophobicContact CD2-CG 4.44Å; L410-M427 HydrophobicContact CD2-SD 4.1Å; H412-M427 HydrophobicContact CB-CB 3.94Å; H412-M427 HydrophobicContact CB-CE 3.8Å; H412-M427 HydrophobicContact CB-SD 4.44Å; L419-M427 HydrophobicContact CD1-CE 3.6Å; L419-M427 HydrophobicContact CD2-CE 4.41Å; F423-M427 HydrophobicContact CD1-CE 3.38Å; F423-M427 HydrophobicContact CD1-CG 4.48Å; F423-M427 HydrophobicContact CD1-SD 4.09Å; F423-M427 HydrophobicContact CE1-CE 3.43Å; F423-M427 VanDerWaalsContact CE1-CE 3.43Å; F423-M427 HydrophobicContact CE1-CG 4.31Å; F423-M427 HydrophobicContact CE1-SD 3.6Å; F423-M427 VanDerWaalsContact CE1-SD 3.6Å; F423-M427 HydrophobicContact CG-CE 4.49Å; F423-M427 HydrophobicContact CZ-SD 4.28Å; F423-M427 WeakPolarHBondContact O-CG 3.34Å; F423-M427 PolarHBondContact O-N 3.14Å; M427-K429 VanDerWaalsContact C-N 3.25Å; M427-K429 PolarHBondContact O-N 2.77Å; M427-S430 WeakPolarHBondContact O-CB 3.33Å; M427-S430 PolarHBondContact O-N 2.98Å; M427-L457 WeakPolarHBondContact O-CD1 3.4Å; M427-L504 HydrophobicContact CG-CD1 3.97Å
428	S	80.7	Confident	75.1	Confident	47 Å²	47	45.1 Å²	45.1	33%	0.329	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-25.7	179.8	64.9	0	0	0	0	114.2	H412 E424 K425	H412-S428 VanDerWaalsContact NE2-CB 3.33Å; H412-S428 WeakPolarHBondContact NE2-CB 3.15Å; E424-S428 WeakPolarHBondContact O-CB 3.36Å; E424-S428 PolarHBondContact O-N 2.96Å; E424-S428 PolarHBondContact O-OG 3.43Å; K425-S428 PolarHBondContact O-OG 3.03Å
429	K	83.1	Confident	75.5	Confident	73 Å²	73	45.6 Å²	45.6	32%	0.317	26%	0.261	S	S	.	.	H	α-helix	trans	-81.1	-26.2	170.8	-64.2	172.3	-176.2	174.5	0	114	K425 A426 M427 R452 H498 D501	K425-K429 WeakPolarHBondContact O-CG 3.38Å; A426-K429 PolarHBondContact O-N 3.09Å; M427-K429 VanDerWaalsContact C-N 3.25Å; M427-K429 PolarHBondContact O-N 2.77Å; K429-R452 PolarHBondContact O-NH2 2.84Å; K429-R452 VanDerWaalsContact O-NH2 3.08Å; K429-H498 HydrophobicContact CB-CB 3.75Å; K429-H498 HydrophobicContact CD-CB 4.11Å; K429-D501 WeakPolarHBondContact CD-OD2 3.38Å; K429-D501 WeakPolarHBondContact CE-OD2 3.27Å; K429-D501 IonicContact NZ-OD2 2.65Å; K429-D501 PolarHBondContact NZ-OD2 3.34Å
430	S	85.4	Confident	75.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	29%	0.288	C	S	.	.			trans	-63.7	168.7	-169.7	-65.3	0	0	0	0	112.3	A426 M427 R452 Q496	A426-S430 PolarHBondContact O-N 3.43Å; A426-S430 PolarHBondContact O-OG 3.42Å; M427-S430 WeakPolarHBondContact O-CB 3.33Å; M427-S430 PolarHBondContact O-N 2.98Å; S430-R452 PolarHBondContact O-NE 3.32Å; S430-R452 PolarHBondContact O-NH2 3.18Å; S430-Q496 WeakPolarHBondContact CA-O 3.19Å; S430-Q496 WeakPolarHBondContact CB-O 3.38Å
431	A	85.5	Confident	74.6	Confident	25 Å²	25	51.3 Å²	51.3	21%	0.207	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.8	172.6	0	0	0	0	0	110.3	I433 F450 L495 Q496	A431-I433 HydrophobicContact CB-CG1 4.34Å; A431-F450 HydrophobicContact CB-CZ 4.47Å; A431-L495 WeakPolarHBondContact O-CA 3.41Å; A431-Q496 PolarHBondContact N-O 2.9Å; A431-Q496 PolarHBondContact O-N 2.83Å
432	L	86.4	Confident	73.7	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.5	162.6	-67.8	173.8	0	0	0	107.5	L397 L410 F450 L457 L459 V493 A494 L495	L397-L432 HydrophobicContact CD2-CD2 4.2Å; L410-L432 HydrophobicContact CB-CD1 4.09Å; L410-L432 HydrophobicContact CB-CD2 4.42Å; L432-F450 HydrophobicContact CB-CD2 4.09Å; L432-F450 HydrophobicContact CB-CE2 3.93Å; L432-F450 HydrophobicContact CG-CE2 4.41Å; L432-F450 VanDerWaalsContact N-CE2 3.31Å; L432-L457 HydrophobicContact CD1-CB 3.78Å; L432-L457 HydrophobicContact CG-CB 4.09Å; L432-L457 HydrophobicContact CG-CD1 4.17Å; L432-L459 HydrophobicContact CB-CB 4.02Å; L432-L459 HydrophobicContact CB-CD1 4.28Å; L432-L459 HydrophobicContact CB-CD2 4.19Å; L432-L459 HydrophobicContact CB-CG 4.42Å; L432-L459 HydrophobicContact CD1-CB 4.24Å; L432-L459 WeakPolarHBondContact O-CD1 3.29Å; L432-V493 HydrophobicContact CD2-CG1 4.39Å; L432-A494 CarbonylContact C-O 3.53Å; L432-A494 WeakPolarHBondContact CA-O 3.29Å; L432-L495 HydrophobicContact CD2-CD1 3.86Å
433	I	86.4	Confident	72.9	Confident	53 Å²	53	56.9 Å²	56.9	27%	0.272	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.4	-176.3	-62.8	179.6	0	0	0	108.2	A431 V493 A494 Q496	A431-I433 HydrophobicContact CB-CG1 4.34Å; I433-V493 CarbonylContact O-C 3.58Å; I433-V493 WeakPolarHBondContact O-CA 3.33Å; I433-A494 PolarHBondContact N-O 3.37Å; I433-A494 PolarHBondContact O-N 3.2Å; I433-Q496 HydrophobicContact CD1-CB 3.78Å
434	L	87.6	Confident	72.3	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.052	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.4	168.3	-170.3	61.8	0	0	0	108	C445 V448 L459 F461 N465 C467 M491 V493	L434-C445 VanDerWaalsContact C-SG 3.56Å; L434-C445 HydrophobicContact CB-CB 3.98Å; L434-C445 HydrophobicContact CD2-CB 3.94Å; L434-C445 HydrophobicContact CG-CB 4.07Å; L434-C445 PolarHBondContact O-SG 3.02Å; L434-V448 HydrophobicContact CB-CG2 4.21Å; L434-V448 HydrophobicContact CD2-CG2 3.79Å; L434-L459 HydrophobicContact CB-CD2 4.2Å; L434-F461 HydrophobicContact CD1-CD1 4.4Å; L434-F461 HydrophobicContact CD1-CE1 3.88Å; L434-F461 HydrophobicContact CD1-CE2 4.06Å; L434-F461 HydrophobicContact CD1-CZ 3.7Å; L434-F461 HydrophobicContact CD2-CB 4.3Å; L434-F461 HydrophobicContact CD2-CD1 4.01Å; L434-F461 HydrophobicContact CD2-CD2 3.9Å; L434-F461 HydrophobicContact CD2-CE1 4.31Å; L434-F461 HydrophobicContact CD2-CE2 4.2Å; L434-F461 HydrophobicContact CD2-CG 3.81Å; L434-F461 HydrophobicContact CD2-CZ 4.4Å; L434-N465 WeakPolarHBondContact CD2-OD1 3.46Å; L434-C467 HydrophobicContact CD2-CB 3.98Å; L434-C467 HydrophobicContact CG-CB 3.91Å; L434-M491 HydrophobicContact CD1-CB 4.15Å; L434-V493 HydrophobicContact CD1-CG2 4.11Å
435	E	84.6	Confident	72.3	Confident	23 Å²	23	62.8 Å²	62.8	11%	0.107	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.6	177	-62.3	-175.8	145.9	0	0	109.4	V437 K492 A494 R507 S509	E435-V437 PolarHBondContact O-N 3.38Å; E435-K492 HydrophobicContact CB-CB 4.06Å; E435-K492 HydrophobicContact CB-CD 4.05Å; E435-K492 HydrophobicContact CB-CG 4.07Å; E435-K492 PolarHBondContact N-O 3.08Å; E435-K492 VanDerWaalsContact OE2-CD 3.31Å; E435-K492 WeakPolarHBondContact OE2-CD 3.42Å; E435-K492 WeakPolarHBondContact OE2-CE 3.35Å; E435-K492 WeakPolarHBondContact OE2-CG 3.32Å; E435-K492 IonicContact OE2-NZ 3.17Å; E435-K492 PolarHBondContact OE2-NZ 3.1Å; E435-A494 HydrophobicContact CG-CB 4.04Å; E435-A494 WeakPolarHBondContact OE1-CB 3.42Å; E435-R507 IonicContact OE1-CZ 2.82Å; E435-R507 IonicContact OE1-NE 2.88Å; E435-R507 PolarHBondContact OE1-NE 3.33Å; E435-R507 IonicContact OE1-NH2 3.78Å; E435-R507 PolarHBondContact OE1-NH2 2.82Å; E435-S509 PolarHBondContact OE1-OG 2.8Å; E435-S509 WeakPolarHBondContact OE2-CB 3.41Å; E435-S509 PolarHBondContact OE2-OG 3.05Å
436	S	78.2	Confident	71.8	Confident	31 Å²	31	63.5 Å²	63.5	22%	0.217	35%	0.351	C	S	.	.			trans	-56.4	135.3	164.6	176.3	0	0	0	0	110.2	N438	S436-N438 PolarHBondContact O-N 3.26Å; S436-N438 PolarHBondContact OG-N 3.3Å; S436-N438 PolarHBondContact OG-O 3.29Å
437	V	70.2	Confident	71.5	Confident	28 Å²	28	70.2 Å²	70.2	17%	0.17	39%	0.387	C	S	.	.	S	Bend	trans	-68.6	-22.9	171.4	179.3	0	0	0	0	111.2	E435 T469 K490 K492	E435-V437 PolarHBondContact O-N 3.38Å; V437-T469 HydrophobicContact CB-CG2 3.84Å; V437-T469 HydrophobicContact CG1-CG2 4.29Å; V437-T469 HydrophobicContact CG2-CG2 4.23Å; V437-K490 HydrophobicContact CG1-CD 3.95Å; V437-K490 HydrophobicContact CG1-CG 4.47Å; V437-K490 HydrophobicContact CG2-CG 4.41Å; V437-K492 HydrophobicContact CG2-CB 4.2Å
438	N	65.2	Low	71.7	Confident	99 Å²	99	72.3 Å²	72.3	53%	0.529	40%	0.4	S	S	.	.	S	Bend	trans	-104.5	106.2	178	-66.7	-8.1	0	0	0	109.6	S436 S440	S436-N438 PolarHBondContact O-N 3.26Å; S436-N438 PolarHBondContact OG-N 3.3Å; S436-N438 PolarHBondContact OG-O 3.29Å; N438-S440 PolarHBondContact O-N 3.13Å
439	A	53.3	Low	71.9	Confident	102 Å²	102	75 Å²	75	84%	0.843	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	3.7	-172.8	0	0	0	0	0	115.8
440	S	52.1	Low	72.1	Confident	99 Å²	99	74.4 Å²	74.4	69%	0.692	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-27.3	177.6	55.7	0	0	0	0	113.6	N438	N438-S440 PolarHBondContact O-N 3.13Å
441	N	47.8	Very low	72	Confident	77 Å²	77	76.5 Å²	76.5	41%	0.412	42%	0.422	S	S	.	.			trans	-113.8	113.4	-174	-65	34.5	0	0	0	109	E443	N441-E443 HydrophobicContact CB-CB 4.5Å; N441-E443 HydrophobicContact CB-CG 4.17Å; N441-E443 WeakPolarHBondContact CB-OE2 3.31Å; N441-E443 PolarHBondContact ND2-OE2 2.92Å; N441-E443 PolarHBondContact O-N 2.96Å; N441-E443 VanDerWaalsContact O-N 3.14Å
442	M	46	Very low	71.9	Confident	196 Å²	196	82 Å²	82	97%	0.966	44%	0.438	S	S	*	.			trans	-83.2	46.8	164.6	-68.9	-145.4	-93.6	0	0	111
443	E	54.3	Low	71.3	Confident	123 Å²	123	83.3 Å²	83.3	58%	0.575	45%	0.453	S	S	*	.			trans	-75.8	121.4	168.2	-71.7	170	128.6	0	0	107.9	N441 C445	N441-E443 HydrophobicContact CB-CB 4.5Å; N441-E443 HydrophobicContact CB-CG 4.17Å; N441-E443 WeakPolarHBondContact CB-OE2 3.31Å; N441-E443 PolarHBondContact ND2-OE2 2.92Å; N441-E443 PolarHBondContact O-N 2.96Å; N441-E443 VanDerWaalsContact O-N 3.14Å; E443-C445 PolarHBondContact O-N 3.47Å
444	E	59.1	Low	70.5	Confident	167 Å²	167	87.4 Å²	87.4	78%	0.78	48%	0.48	S	S	*	.			trans	-61.7	132	173.4	-66.7	-169.6	136.5	0	0	109.5	Q446	E444-Q446 VanDerWaalsContact C-N 3.34Å; E444-Q446 PolarHBondContact O-N 3.44Å
445	C	72.6	Confident	69.8	Low	24 Å²	24	89.1 Å²	89.1	16%	0.162	49%	0.489	C	S	.	.			trans	-71.3	91.7	177.2	-48.5	0	0	0	0	109.2	L434 E443 V448 C467	L434-C445 VanDerWaalsContact C-SG 3.56Å; L434-C445 HydrophobicContact CB-CB 3.98Å; L434-C445 HydrophobicContact CD2-CB 3.94Å; L434-C445 HydrophobicContact CG-CB 4.07Å; L434-C445 PolarHBondContact O-SG 3.02Å; E443-C445 PolarHBondContact O-N 3.47Å; C445-V448 HydrophobicContact CB-CG2 4.1Å; C445-V448 VanDerWaalsContact O-CG2 3.22Å; C445-V448 WeakPolarHBondContact O-CG2 3.43Å; C445-C467 VanDerWaalsContact CA-SG 3.6Å; C445-C467 HydrophobicContact CB-CB 3.91Å; C445-C467 WeakPolarHBondContact CB-SG 3.44Å; C445-C467 WeakPolarHBondContact SG-CB 3.34Å; C445-C467 CovalentContact SG-SG 2.03Å; C445-C467 PolarHBondContact SG-SG 3.39Å
446	Q	69	Low	69.5	Low	148 Å²	148	88.8 Å²	88.8	69%	0.692	49%	0.49	S	S	*	.			trans	-64.4	165.3	174.7	-62.7	-179.8	5.4	0	0	110.9	E444 N465	E444-Q446 VanDerWaalsContact C-N 3.34Å; E444-Q446 PolarHBondContact O-N 3.44Å; Q446-N465 PolarHBondContact O-ND2 2.94Å
447	D	75	Confident	69.7	Low	142 Å²	142	87.3 Å²	87.3	76%	0.759	48%	0.48	S	S	*	.	S	Bend	trans	54.2	53.2	-179.1	-59.4	-25.5	0	0	0	114.7
448	V	82.9	Confident	70.4	Confident	45 Å²	45	89.3 Å²	89.3	27%	0.273	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.1	175.2	-175.5	0	0	0	0	110.3	L434 C445 L459 A460 F461	L434-V448 HydrophobicContact CB-CG2 4.21Å; L434-V448 HydrophobicContact CD2-CG2 3.79Å; C445-V448 HydrophobicContact CB-CG2 4.1Å; C445-V448 VanDerWaalsContact O-CG2 3.22Å; C445-V448 WeakPolarHBondContact O-CG2 3.43Å; V448-L459 HydrophobicContact CG1-CD1 3.34Å; V448-L459 HydrophobicContact CG1-CD2 4.4Å; V448-L459 HydrophobicContact CG1-CG 3.68Å; V448-A460 CarbonylContact C-O 3.54Å; V448-A460 WeakPolarHBondContact CA-O 3.14Å; V448-F461 HydrophobicContact CG1-CB 4.45Å; V448-F461 HydrophobicContact CG1-CD1 4.34Å; V448-F461 HydrophobicContact CG2-CB 4.08Å
449	D	85	Confident	71.4	Confident	103 Å²	103	84.7 Å²	84.7	55%	0.551	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.9	174.9	175.4	19.8	0	0	0	110.4	L459 A460	D449-L459 CarbonylContact O-C 3.55Å; D449-L459 WeakPolarHBondContact O-CA 3.2Å; D449-A460 HydrophobicContact CB-CB 4.42Å; D449-A460 PolarHBondContact N-O 2.86Å; D449-A460 PolarHBondContact O-N 3.44Å
450	F	87.1	Confident	73	Confident	61 Å²	61	81.2 Å²	81.2	27%	0.268	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.7	172.5	173.7	-102.2	0	0	0	110.9	A431 L432 R452 L457 R458 L459	A431-F450 HydrophobicContact CB-CZ 4.47Å; L432-F450 HydrophobicContact CB-CD2 4.09Å; L432-F450 HydrophobicContact CB-CE2 3.93Å; L432-F450 HydrophobicContact CG-CE2 4.41Å; L432-F450 VanDerWaalsContact N-CE2 3.31Å; F450-R452 HydrophobicContact CE1-CG 3.65Å; F450-R452 HydrophobicContact CZ-CG 3.67Å; F450-L457 HydrophobicContact CE2-CB 4.28Å; F450-L457 HydrophobicContact CZ-CD2 4.31Å; F450-R458 WeakPolarHBondContact CA-O 3.18Å; F450-R458 WeakPolarHBondContact CD2-O 3.5Å; F450-L459 HydrophobicContact CB-CD1 3.93Å; F450-L459 HydrophobicContact CD2-CD1 4.02Å; F450-L459 HydrophobicContact CG-CD1 4.45Å
451	S	83.9	Confident	74.7	Confident	45 Å²	45	77 Å²	77	32%	0.315	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	179.2	53.4	0	0	0	0	113.1	R458	S451-R458 PolarHBondContact N-O 3.3Å; S451-R458 PolarHBondContact O-N 2.84Å
452	R	82.7	Confident	76.4	Confident	139 Å²	139	75 Å²	75	53%	0.525	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109.6	173.2	-61.9	-162	172.5	96	-5.7	110	K429 S430 F450 L457	K429-R452 PolarHBondContact O-NH2 2.84Å; K429-R452 VanDerWaalsContact O-NH2 3.08Å; S430-R452 PolarHBondContact O-NE 3.32Å; S430-R452 PolarHBondContact O-NH2 3.18Å; F450-R452 HydrophobicContact CE1-CG 3.65Å; F450-R452 HydrophobicContact CZ-CG 3.67Å; R452-L457 HydrophobicContact CB-CD2 4.42Å; R452-L457 HydrophobicContact CG-CD2 3.86Å
453	G	73.9	Confident	78.1	Confident	35 Å²	35	67.1 Å²	67.1	36%	0.361	35%	0.353	S	S	.	.			trans	-83.9	171.4	165.7	0	0	0	0	0	111.7	D455 S456	G453-D455 VanDerWaalsContact C-N 3.32Å; G453-D455 PolarHBondContact O-N 2.91Å; G453-S456 VanDerWaalsContact CA-O 3.32Å; G453-S456 WeakPolarHBondContact CA-O 3.32Å; G453-S456 PolarHBondContact N-O 3.45Å
454	V	69.5	Low	79.4	Confident	138 Å²	138	67.9 Å²	67.9	84%	0.836	36%	0.362	S	S	*	.	S	Bend	trans	-62.3	-39.1	-177	-170.4	0	0	0	0	112.5
455	D	73.2	Confident	80.6	Confident	46 Å²	46	60.5 Å²	60.5	25%	0.246	33%	0.327	C	S	.	.	S	Bend	trans	-120.5	5	-175.4	-56.3	1.8	0	0	0	112.1	H412 N413 R415 G453	H412-D455 VanDerWaalsContact CE1-C 3.44Å; H412-D455 PolarHBondContact N-O 2.86Å; N413-D455 HydrophobicContact CB-CB 3.95Å; N413-D455 PolarHBondContact ND2-OD2 3.34Å; R415-D455 IonicContact CZ-OD2 3.48Å; R415-D455 IonicContact NE-OD2 2.86Å; R415-D455 PolarHBondContact NE-OD2 3.07Å; R415-D455 IonicContact NH2-OD1 2.83Å; R415-D455 IonicContact NH2-OD2 2.93Å; R415-D455 PolarHBondContact NH2-OD2 3.39Å; G453-D455 VanDerWaalsContact C-N 3.32Å; G453-D455 PolarHBondContact O-N 2.91Å
456	S	79.3	Confident	81	Confident	16 Å²	16	64.7 Å²	64.7	11%	0.112	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138	-171.5	69.6	0	0	0	0	113.8	L410 H412 G453	L410-S456 CarbonylContact O-C 3.59Å; L410-S456 VanDerWaalsContact O-CA 3.24Å; L410-S456 WeakPolarHBondContact O-CA 3.29Å; H412-S456 PolarHBondContact CE1-N 3.43Å; H412-S456 VanDerWaalsContact CE1-N 3.25Å; G453-S456 VanDerWaalsContact CA-O 3.32Å; G453-S456 WeakPolarHBondContact CA-O 3.32Å; G453-S456 PolarHBondContact N-O 3.45Å
457	L	81.5	Confident	81.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	150.8	161.1	-51.6	-176.8	0	0	0	109.9	I409 L410 M427 L432 F450 R452 L495	I409-L457 WeakPolarHBondContact CA-O 3.39Å; L410-L457 HydrophobicContact CB-CB 4.23Å; L410-L457 HydrophobicContact CD2-CD1 4.01Å; L410-L457 HydrophobicContact CD2-CG 4.38Å; L410-L457 PolarHBondContact N-O 2.83Å; L410-L457 PolarHBondContact O-N 2.93Å; M427-L457 WeakPolarHBondContact O-CD1 3.4Å; L432-L457 HydrophobicContact CD1-CB 3.78Å; L432-L457 HydrophobicContact CG-CB 4.09Å; L432-L457 HydrophobicContact CG-CD1 4.17Å; F450-L457 HydrophobicContact CE2-CB 4.28Å; F450-L457 HydrophobicContact CZ-CD2 4.31Å; R452-L457 HydrophobicContact CB-CD2 4.42Å; R452-L457 HydrophobicContact CG-CD2 3.86Å; L457-L495 HydrophobicContact CD1-CD1 4.11Å
458	R	85.2	Confident	82.2	Confident	70 Å²	70	51.7 Å²	51.7	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149	176.2	-56	-173.3	-176.8	-152.1	6.8	112.4	E407 I408 I409 F450 S451	E407-R458 WeakPolarHBondContact OE1-CD 3.39Å; E407-R458 IonicContact OE1-CZ 3.71Å; E407-R458 IonicContact OE1-NH1 2.86Å; E407-R458 PolarHBondContact OE1-NH1 2.88Å; E407-R458 IonicContact OE2-NH1 2.77Å; I408-R458 CarbonylContact O-C 3.57Å; I408-R458 VanDerWaalsContact O-CA 3.29Å; I408-R458 WeakPolarHBondContact O-CA 3.28Å; I409-R458 HydrophobicContact CG1-CG 4.3Å; I409-R458 HydrophobicContact CG2-CG 4.43Å; F450-R458 WeakPolarHBondContact CA-O 3.18Å; F450-R458 WeakPolarHBondContact CD2-O 3.5Å; S451-R458 PolarHBondContact N-O 3.3Å; S451-R458 PolarHBondContact O-N 2.84Å
459	L	86.9	Confident	82.2	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	114.7	177.7	-167.2	75.4	0	0	0	108.5	I408 L432 L434 V448 D449 F450 F461 V493	I408-L459 HydrophobicContact CB-CB 4.27Å; I408-L459 PolarHBondContact N-O 3.25Å; I408-L459 PolarHBondContact O-N 2.9Å; L432-L459 HydrophobicContact CB-CB 4.02Å; L432-L459 HydrophobicContact CB-CD1 4.28Å; L432-L459 HydrophobicContact CB-CD2 4.19Å; L432-L459 HydrophobicContact CB-CG 4.42Å; L432-L459 HydrophobicContact CD1-CB 4.24Å; L432-L459 WeakPolarHBondContact O-CD1 3.29Å; L434-L459 HydrophobicContact CB-CD2 4.2Å; V448-L459 HydrophobicContact CG1-CD1 3.34Å; V448-L459 HydrophobicContact CG1-CD2 4.4Å; V448-L459 HydrophobicContact CG1-CG 3.68Å; D449-L459 CarbonylContact O-C 3.55Å; D449-L459 WeakPolarHBondContact O-CA 3.2Å; F450-L459 HydrophobicContact CB-CD1 3.93Å; F450-L459 HydrophobicContact CD2-CD1 4.02Å; F450-L459 HydrophobicContact CG-CD1 4.45Å; L459-F461 HydrophobicContact CD2-CD1 4.47Å; L459-F461 HydrophobicContact CD2-CE1 4.18Å; L459-F461 HydrophobicContact CG-CD1 4.3Å; L459-F461 HydrophobicContact CG-CE1 4.37Å; L459-V493 HydrophobicContact CD2-CG1 4.01Å; L459-V493 HydrophobicContact CD2-CG2 4.49Å
460	A	86.5	Confident	81.9	Confident	29 Å²	29	52.6 Å²	52.6	24%	0.24	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.4	-178.2	0	0	0	0	0	111.5	I406 V448 D449	I406-A460 VanDerWaalsContact O-CA 3.32Å; I406-A460 WeakPolarHBondContact O-CA 3.4Å; V448-A460 CarbonylContact C-O 3.54Å; V448-A460 WeakPolarHBondContact CA-O 3.14Å; D449-A460 HydrophobicContact CB-CB 4.42Å; D449-A460 PolarHBondContact N-O 2.86Å; D449-A460 PolarHBondContact O-N 3.44Å
461	F	86.9	Confident	81.3	Confident	10 Å²	10	56.2 Å²	56.2	4%	0.044	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.1	-177.5	49.7	-89.4	0	0	0	111.7	G405 I406 I408 L434 V448 L459 V468 M491	G405-F461 WeakPolarHBondContact CA-O 3.4Å; I406-F461 HydrophobicContact CB-CD2 4.2Å; I406-F461 HydrophobicContact CB-CE2 3.79Å; I406-F461 HydrophobicContact CB-CZ 4.07Å; I406-F461 HydrophobicContact CD1-CD2 4.46Å; I406-F461 HydrophobicContact CD1-CE2 3.83Å; I406-F461 HydrophobicContact CG1-CE2 4.37Å; I406-F461 HydrophobicContact CG2-CE1 4.42Å; I406-F461 HydrophobicContact CG2-CE2 3.95Å; I406-F461 HydrophobicContact CG2-CZ 3.75Å; I406-F461 PolarHBondContact N-O 3.48Å; I406-F461 PolarHBondContact O-N 3.35Å; I408-F461 HydrophobicContact CD1-CZ 4.46Å; I408-F461 HydrophobicContact CG1-CE1 3.83Å; I408-F461 HydrophobicContact CG1-CZ 4.1Å; L434-F461 HydrophobicContact CD1-CD1 4.4Å; L434-F461 HydrophobicContact CD1-CE1 3.88Å; L434-F461 HydrophobicContact CD1-CE2 4.06Å; L434-F461 HydrophobicContact CD1-CZ 3.7Å; L434-F461 HydrophobicContact CD2-CB 4.3Å; L434-F461 HydrophobicContact CD2-CD1 4.01Å; L434-F461 HydrophobicContact CD2-CD2 3.9Å; L434-F461 HydrophobicContact CD2-CE1 4.31Å; L434-F461 HydrophobicContact CD2-CE2 4.2Å; L434-F461 HydrophobicContact CD2-CG 3.81Å; L434-F461 HydrophobicContact CD2-CZ 4.4Å; V448-F461 HydrophobicContact CG1-CB 4.45Å; V448-F461 HydrophobicContact CG1-CD1 4.34Å; V448-F461 HydrophobicContact CG2-CB 4.08Å; L459-F461 HydrophobicContact CD2-CD1 4.47Å; L459-F461 HydrophobicContact CD2-CE1 4.18Å; L459-F461 HydrophobicContact CG-CD1 4.3Å; L459-F461 HydrophobicContact CG-CE1 4.37Å; F461-V468 HydrophobicContact CD2-CG2 3.77Å; F461-V468 HydrophobicContact CE2-CG2 3.61Å; F461-M491 HydrophobicContact CE2-SD 4.09Å; F461-M491 HydrophobicContact CZ-CG 4.32Å; F461-M491 HydrophobicContact CZ-SD 3.83Å
462	A	85	Confident	80.3	Confident	34 Å²	34	58.3 Å²	58.3	28%	0.281	31%	0.306	S	S	.	.			trans	-81.2	157	-177.8	0	0	0	0	0	113	N464 N465	A462-N464 WeakPolarHBondContact CB-OD1 3.49Å; A462-N464 PolarHBondContact O-N 2.91Å; A462-N464 VanDerWaalsContact O-N 3.14Å; A462-N465 WeakPolarHBondContact O-CB 3.47Å; A462-N465 PolarHBondContact O-N 2.76Å; A462-N465 VanDerWaalsContact O-N 3.09Å
463	Y	80.9	Confident	79	Confident	32 Å²	32	55.1 Å²	55.1	13%	0.125	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.7	-179.3	-72.7	-79	0	0	0	115.2	C401 D402 G405 I406 Y489 L516	C401-Y463 WeakPolarHBondContact CA-OH 3.4Å; D402-Y463 PolarHBondContact N-OH 3.39Å; D402-Y463 WeakPolarHBondContact O-CE2 3.31Å; D402-Y463 PolarHBondContact O-OH 3.05Å; G405-Y463 WeakPolarHBondContact O-CE2 3.29Å; G405-Y463 PolarHBondContact O-OH 3.11Å; I406-Y463 HydrophobicContact CD1-CD1 3.8Å; I406-Y463 HydrophobicContact CD1-CE1 3.72Å; I406-Y463 HydrophobicContact CG1-CD1 3.93Å; I406-Y463 HydrophobicContact CG1-CE1 3.48Å; I406-Y463 VanDerWaalsContact CG1-CE1 3.48Å; I406-Y463 HydrophobicContact CG1-CE2 4.49Å; Y463-Y489 AromaticContact CD1-CD1 3.82Å; Y463-Y489 HydrophobicContact CD1-CD1 3.82Å; Y463-Y489 AromaticContact CD1-CD2 3.81Å; Y463-Y489 HydrophobicContact CD1-CD2 3.81Å; Y463-Y489 AromaticContact CD1-CE1 3.82Å; Y463-Y489 HydrophobicContact CD1-CE1 3.82Å; Y463-Y489 AromaticContact CD1-CE2 3.82Å; Y463-Y489 HydrophobicContact CD1-CE2 3.82Å; Y463-Y489 AromaticContact CD1-CG 3.81Å; Y463-Y489 HydrophobicContact CD1-CG 3.81Å; Y463-Y489 AromaticContact CD1-CZ 3.81Å; Y463-Y489 HydrophobicContact CE1-CD2 4.02Å; Y463-Y489 HydrophobicContact CE1-CE2 4.18Å; Y463-Y489 HydrophobicContact CE1-CG 4.32Å; Y463-Y489 HydrophobicContact CG-CE1 4.28Å; Y463-L516 HydrophobicContact CD1-CD1 4.44Å; Y463-L516 HydrophobicContact CE1-CD1 3.75Å; Y463-L516 HydrophobicContact CE2-CD1 4.34Å
464	N	81.4	Confident	77.8	Confident	139 Å²	139	57.8 Å²	57.8	74%	0.743	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	6.2	177.2	64.1	-55	0	0	0	113.3	A462	A462-N464 WeakPolarHBondContact CB-OD1 3.49Å; A462-N464 PolarHBondContact O-N 2.91Å; A462-N464 VanDerWaalsContact O-N 3.14Å
465	N	83.7	Confident	76.6	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.064	31%	0.305	C	S	.	.			trans	-59	135.7	175.3	-175.6	-68.3	0	0	0	110.7	L434 Q446 A462 C467 V468	L434-N465 WeakPolarHBondContact CD2-OD1 3.46Å; Q446-N465 PolarHBondContact O-ND2 2.94Å; A462-N465 WeakPolarHBondContact O-CB 3.47Å; A462-N465 PolarHBondContact O-N 2.76Å; A462-N465 VanDerWaalsContact O-N 3.09Å; N465-C467 PolarHBondContact O-N 3.45Å; N465-C467 VanDerWaalsContact O-N 3.13Å; N465-C467 WeakPolarHBondContact OD1-CB 3.38Å; N465-C467 PolarHBondContact OD1-N 3.25Å; N465-V468 HydrophobicContact CB-CG2 4Å; N465-V468 WeakPolarHBondContact O-CB 3.29Å; N465-V468 PolarHBondContact O-N 3.36Å
466	T	81.1	Confident	75.1	Confident	111 Å²	111	60.2 Å²	60.2	68%	0.681	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.7	-174.5	48	0	0	0	0	113.8	V468	T466-V468 VanDerWaalsContact C-N 3.3Å; T466-V468 PolarHBondContact O-N 2.78Å
467	C	84.5	Confident	73.1	Confident	4 Å²	4	69.7 Å²	69.7	3%	0.027	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.9	179.5	-64.3	0	0	0	0	114.2	L434 C445 N465	L434-C467 HydrophobicContact CD2-CB 3.98Å; L434-C467 HydrophobicContact CG-CB 3.91Å; C445-C467 VanDerWaalsContact CA-SG 3.6Å; C445-C467 HydrophobicContact CB-CB 3.91Å; C445-C467 WeakPolarHBondContact CB-SG 3.44Å; C445-C467 WeakPolarHBondContact SG-CB 3.34Å; C445-C467 CovalentContact SG-SG 2.03Å; C445-C467 PolarHBondContact SG-SG 3.39Å; N465-C467 PolarHBondContact O-N 3.45Å; N465-C467 VanDerWaalsContact O-N 3.13Å; N465-C467 WeakPolarHBondContact OD1-CB 3.38Å; N465-C467 PolarHBondContact OD1-N 3.25Å
468	V	84.3	Confident	71.2	Confident	13 Å²	13	77 Å²	77	8%	0.079	40%	0.398	C	S	.	.			trans	-100.2	105.1	-178	-176.3	0	0	0	0	110.9	I406 F461 N465 T466 R470 Y489 M491	I406-V468 HydrophobicContact CD1-CG1 4.46Å; F461-V468 HydrophobicContact CD2-CG2 3.77Å; F461-V468 HydrophobicContact CE2-CG2 3.61Å; N465-V468 HydrophobicContact CB-CG2 4Å; N465-V468 WeakPolarHBondContact O-CB 3.29Å; N465-V468 PolarHBondContact O-N 3.36Å; T466-V468 VanDerWaalsContact C-N 3.3Å; T466-V468 PolarHBondContact O-N 2.78Å; V468-R470 PolarHBondContact O-N 3.14Å; V468-Y489 HydrophobicContact CG1-CD1 3.94Å; V468-Y489 HydrophobicContact CG1-CG 4.37Å; V468-M491 HydrophobicContact CG2-CB 4.35Å
469	T	83.6	Confident	68.9	Low	35 Å²	35	81.3 Å²	81.3	22%	0.215	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.4	179.4	54.1	0	0	0	0	112	V437 K490	V437-T469 HydrophobicContact CB-CG2 3.84Å; V437-T469 HydrophobicContact CG1-CG2 4.29Å; V437-T469 HydrophobicContact CG2-CG2 4.23Å; T469-K490 PolarHBondContact N-O 3.28Å; T469-K490 PolarHBondContact O-N 3.48Å; T469-K490 WeakPolarHBondContact OG1-CB 3.17Å; T469-K490 PolarHBondContact OG1-O 2.94Å
470	R	79.5	Confident	66.2	Low	132 Å²	132	87.2 Å²	87.2	50%	0.498	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.2	170.8	-176.3	-177.6	170.8	166.2	3.9	110.5	V468 N472 V487 Y489 D518	V468-R470 PolarHBondContact O-N 3.14Å; R470-N472 PolarHBondContact NE-OD1 3.28Å; R470-N472 PolarHBondContact NH2-OD1 3.32Å; R470-V487 HydrophobicContact CG-CG1 3.5Å; R470-Y489 HydrophobicContact CB-CD1 4.31Å; R470-Y489 HydrophobicContact CB-CE1 4.28Å; R470-Y489 HydrophobicContact CG-CE1 4.18Å; R470-D518 IonicContact NH2-OD1 2.8Å; R470-D518 PolarHBondContact NH2-OD1 3Å
471	K	74.5	Confident	63.6	Low	137 Å²	137	90.4 Å²	90.4	60%	0.596	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.3	164.9	-69.9	-164.6	173.1	-163.1	0	110.1	T488	K471-T488 PolarHBondContact N-O 3.22Å; K471-T488 PolarHBondContact O-N 3.23Å
472	N	62.9	Low	61.4	Low	89 Å²	89	96.2 Å²	96.2	48%	0.476	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125	161.4	-63.7	-6.2	0	0	0	107	R470 P474	R470-N472 PolarHBondContact NE-OD1 3.28Å; R470-N472 PolarHBondContact NH2-OD1 3.32Å; N472-P474 WeakPolarHBondContact O-CD 3.4Å
473	V	54.7	Low	59.1	Low	72 Å²	72	101.7 Å²	101.7	44%	0.436	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.6	172.5	-179.5	0	0	0	0	107.3	T475 N486	V473-T475 PolarHBondContact O-N 3.41Å; V473-N486 PolarHBondContact N-O 2.94Å
474	P	48.7	Very low	57.6	Low	91 Å²	91	101.9 Å²	101.9	59%	0.591	56%	0.56	S	S	*	*			trans	-64.3	130.1	166.8	28.8	-32.6	0	0	0	108.3	N472 D476	N472-P474 WeakPolarHBondContact O-CD 3.4Å; P474-D476 VanDerWaalsContact C-N 3.31Å; P474-D476 PolarHBondContact O-N 2.83Å
475	T	45.3	Very low	56.5	Low	110 Å²	110	97 Å²	97	68%	0.675	54%	0.537	S	S	*	.			trans	-74.1	89.6	168.2	43.1	0	0	0	0	108.2	V473 R477	V473-T475 PolarHBondContact O-N 3.41Å; T475-R477 PolarHBondContact O-N 3.27Å
476	D	41.6	Very low	55.6	Low	126 Å²	126	99.8 Å²	99.8	67%	0.674	55%	0.552	S	S	*	*			trans	-63.5	115.8	-178.2	-98.8	-50.3	0	0	0	112	P474	P474-D476 VanDerWaalsContact C-N 3.31Å; P474-D476 PolarHBondContact O-N 2.83Å
477	R	37	Very low	55.1	Low	215 Å²	215	94.6 Å²	94.6	81%	0.811	52%	0.52	S	S	*	.	S	Bend	trans	48.5	85.2	146.1	-63.7	173.9	168.8	171.9	-3.7	117.3	T475	T475-R477 PolarHBondContact O-N 3.27Å
478	N	41.7	Very low	54.8	Low	154 Å²	154	95.7 Å²	95.7	82%	0.824	53%	0.527	S	S	*	.				174.4	-20.3	100.3	-88.9	-5.2	0	0	0	114.7	S480	N478-S480 PolarHBondContact O-N 2.96Å; N478-S480 VanDerWaalsContact O-N 3.07Å
479	D	37.2	Very low	54.6	Low	160 Å²	160	96.5 Å²	96.5	86%	0.856	53%	0.529	S	S	*	.			trans	-71.9	104.9	-178.9	-81.4	-41	0	0	0	112.1	S481	D479-S481 PolarHBondContact O-N 2.75Å
480	S	30	Very low	54.7	Low	127 Å²	127	97.9 Å²	97.9	89%	0.888	53%	0.532	S	S	*	.			trans	-79.3	53.5	-176	64.1	0	0	0	0	113.5	N478	N478-S480 PolarHBondContact O-N 2.96Å; N478-S480 VanDerWaalsContact O-N 3.07Å
481	S	30.7	Very low	55	Low	96 Å²	96	91.6 Å²	91.6	67%	0.671	51%	0.508	S	S	*	.	S	Bend	trans	-152.3	146.6	165.3	73.2	0	0	0	0	113.2	D479	D479-S481 PolarHBondContact O-N 2.75Å
482	V	41.1	Very low	55.6	Low	132 Å²	132	88 Å²	88	80%	0.8	49%	0.493	S	S	*	.			trans	66.9	84.1	176.1	-164.5	0	0	0	0	115.7	G484	V482-G484 PolarHBondContact O-N 2.87Å
483	N	35.8	Very low	56.8	Low	148 Å²	148	83.9 Å²	83.9	79%	0.791	47%	0.47	S	S	*	.			trans	-65.6	81.5	171.9	-84.4	-28.4	0	0	0	113.7	K519	N483-K519 PolarHBondContact O-NZ 2.03Å
484	G	50.2	Low	58.3	Low	36 Å²	36	80.4 Å²	80.4	37%	0.371	45%	0.449	S	S	.	.			trans	-121.3	86.4	174.2	0	0	0	0	0	113	V482	V482-G484 PolarHBondContact O-N 2.87Å
485	S	58.4	Low	60.2	Low	37 Å²	37	76.2 Å²	76.2	26%	0.259	42%	0.422	S	S	.	.			trans	-63.5	142.7	167.1	34.1	0	0	0	0	110.9	D518	S485-D518 WeakPolarHBondContact CB-OD2 3.49Å; S485-D518 WeakPolarHBondContact O-CB 3.34Å; S485-D518 PolarHBondContact O-N 3.38Å; S485-D518 VanDerWaalsContact OG-CB 3.26Å; S485-D518 WeakPolarHBondContact OG-CB 3.33Å; S485-D518 PolarHBondContact OG-OD2 3.28Å
486	N	65.6	Low	62.1	Low	71 Å²	71	74.4 Å²	74.4	38%	0.38	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.1	175.3	-79.1	-31.6	0	0	0	110.8	V473 V515	V473-N486 PolarHBondContact N-O 2.94Å; N486-V515 HydrophobicContact CB-CG1 4.21Å
487	V	70	Confident	64.1	Low	2 Å²	2	69.4 Å²	69.4	1%	0.012	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.8	176	-174.6	0	0	0	0	108.6	R470 Y489 V515 L516 D518	R470-V487 HydrophobicContact CG-CG1 3.5Å; V487-Y489 HydrophobicContact CB-CE2 4.05Å; V487-Y489 HydrophobicContact CG1-CD2 3.95Å; V487-Y489 HydrophobicContact CG1-CE1 4.35Å; V487-Y489 HydrophobicContact CG1-CE2 3.41Å; V487-Y489 VanDerWaalsContact CG1-CE2 3.41Å; V487-V515 WeakPolarHBondContact O-CA 3.38Å; V487-L516 PolarHBondContact N-O 2.98Å; V487-L516 PolarHBondContact O-N 2.83Å; V487-D518 HydrophobicContact CG2-CB 3.6Å; V487-D518 WeakPolarHBondContact CG2-OD1 3.29Å
488	T	77.8	Confident	66.1	Low	26 Å²	26	64.1 Å²	64.1	16%	0.16	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.3	172.4	-58.9	0	0	0	0	109.3	K471 V515	K471-T488 PolarHBondContact N-O 3.22Å; K471-T488 PolarHBondContact O-N 3.23Å; T488-V515 HydrophobicContact CG2-CG2 4.21Å
489	Y	80.9	Confident	67.2	Low	31 Å²	31	62.6 Å²	62.6	12%	0.122	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123	166.2	-60.6	-93.9	0	0	0	108.2	Y463 V468 R470 V487 M491 H513 C514 L516	Y463-Y489 AromaticContact CD1-CD1 3.82Å; Y463-Y489 HydrophobicContact CD1-CD1 3.82Å; Y463-Y489 AromaticContact CD1-CD2 3.81Å; Y463-Y489 HydrophobicContact CD1-CD2 3.81Å; Y463-Y489 AromaticContact CD1-CE1 3.82Å; Y463-Y489 HydrophobicContact CD1-CE1 3.82Å; Y463-Y489 AromaticContact CD1-CE2 3.82Å; Y463-Y489 HydrophobicContact CD1-CE2 3.82Å; Y463-Y489 AromaticContact CD1-CG 3.81Å; Y463-Y489 HydrophobicContact CD1-CG 3.81Å; Y463-Y489 AromaticContact CD1-CZ 3.81Å; Y463-Y489 HydrophobicContact CE1-CD2 4.02Å; Y463-Y489 HydrophobicContact CE1-CE2 4.18Å; Y463-Y489 HydrophobicContact CE1-CG 4.32Å; Y463-Y489 HydrophobicContact CG-CE1 4.28Å; V468-Y489 HydrophobicContact CG1-CD1 3.94Å; V468-Y489 HydrophobicContact CG1-CG 4.37Å; R470-Y489 HydrophobicContact CB-CD1 4.31Å; R470-Y489 HydrophobicContact CB-CE1 4.28Å; R470-Y489 HydrophobicContact CG-CE1 4.18Å; V487-Y489 HydrophobicContact CB-CE2 4.05Å; V487-Y489 HydrophobicContact CG1-CD2 3.95Å; V487-Y489 HydrophobicContact CG1-CE1 4.35Å; V487-Y489 HydrophobicContact CG1-CE2 3.41Å; V487-Y489 VanDerWaalsContact CG1-CE2 3.41Å; Y489-M491 VanDerWaalsContact O-CE 3.27Å; Y489-M491 WeakPolarHBondContact O-CE 3.48Å; Y489-H513 WeakPolarHBondContact O-CA 3.3Å; Y489-C514 PolarHBondContact N-O 2.93Å; Y489-C514 PolarHBondContact O-N 3.16Å; Y489-L516 HydrophobicContact CE2-CB 4.45Å; Y489-L516 HydrophobicContact CE2-CD1 4.02Å; Y489-L516 HydrophobicContact CE2-CG 4.4Å
490	K	84.6	Confident	68.4	Low	63 Å²	63	63.1 Å²	63.1	27%	0.274	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.4	176	174.3	-167.8	175.4	-164.1	0	109	V437 T469 V511	V437-K490 HydrophobicContact CG1-CD 3.95Å; V437-K490 HydrophobicContact CG1-CG 4.47Å; V437-K490 HydrophobicContact CG2-CG 4.41Å; T469-K490 PolarHBondContact N-O 3.28Å; T469-K490 PolarHBondContact O-N 3.48Å; T469-K490 WeakPolarHBondContact OG1-CB 3.17Å; T469-K490 PolarHBondContact OG1-O 2.94Å; K490-V511 HydrophobicContact CD-CG1 4.28Å; K490-V511 HydrophobicContact CG-CG1 4.02Å
491	M	86.1	Confident	69.9	Low	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	163.6	-179.9	66	-132.7	70.1	0	0	110.4	I406 I408 L434 F461 V468 Y489 V493 L512 C514	I406-M491 HydrophobicContact CD1-CE 3.93Å; I406-M491 HydrophobicContact CD1-SD 4.03Å; I406-M491 HydrophobicContact CG2-SD 3.99Å; I408-M491 HydrophobicContact CD1-SD 4.4Å; L434-M491 HydrophobicContact CD1-CB 4.15Å; F461-M491 HydrophobicContact CE2-SD 4.09Å; F461-M491 HydrophobicContact CZ-CG 4.32Å; F461-M491 HydrophobicContact CZ-SD 3.83Å; V468-M491 HydrophobicContact CG2-CB 4.35Å; Y489-M491 VanDerWaalsContact O-CE 3.27Å; Y489-M491 WeakPolarHBondContact O-CE 3.48Å; M491-V493 HydrophobicContact CG-CG2 4.35Å; M491-L512 HydrophobicContact CG-CB 3.81Å; M491-L512 PolarHBondContact N-O 3.4Å; M491-L512 PolarHBondContact O-N 2.81Å; M491-L512 HydrophobicContact SD-CB 4.18Å; M491-C514 HydrophobicContact CE-CB 3.84Å
492	K	87.9	Confident	71.3	Confident	63 Å²	63	59.2 Å²	59.2	27%	0.274	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.1	173.7	-170	-177	-176.7	-121.9	0	108	E435 V437 F510 V511	E435-K492 HydrophobicContact CB-CB 4.06Å; E435-K492 HydrophobicContact CB-CD 4.05Å; E435-K492 HydrophobicContact CB-CG 4.07Å; E435-K492 PolarHBondContact N-O 3.08Å; E435-K492 VanDerWaalsContact OE2-CD 3.31Å; E435-K492 WeakPolarHBondContact OE2-CD 3.42Å; E435-K492 WeakPolarHBondContact OE2-CE 3.35Å; E435-K492 WeakPolarHBondContact OE2-CG 3.32Å; E435-K492 IonicContact OE2-NZ 3.17Å; E435-K492 PolarHBondContact OE2-NZ 3.1Å; V437-K492 HydrophobicContact CG2-CB 4.2Å; K492-F510 CarbonylContact C-O 3.53Å; K492-F510 WeakPolarHBondContact CA-O 3.29Å; K492-V511 HydrophobicContact CG-CG2 4.47Å
493	V	86.9	Confident	72.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.9	-176.2	178.8	0	0	0	0	109	I408 L432 I433 L434 L459 M491 F510 L512	I408-V493 HydrophobicContact CG1-CG2 4.33Å; L432-V493 HydrophobicContact CD2-CG1 4.39Å; I433-V493 CarbonylContact O-C 3.58Å; I433-V493 WeakPolarHBondContact O-CA 3.33Å; L434-V493 HydrophobicContact CD1-CG2 4.11Å; L459-V493 HydrophobicContact CD2-CG1 4.01Å; L459-V493 HydrophobicContact CD2-CG2 4.49Å; M491-V493 HydrophobicContact CG-CG2 4.35Å; V493-F510 PolarHBondContact N-O 2.67Å; V493-F510 PolarHBondContact O-N 2.93Å; V493-L512 HydrophobicContact CB-CD1 4.13Å; V493-L512 HydrophobicContact CG2-CD1 3.93Å
494	A	87.3	Confident	74.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.1	176.7	0	0	0	0	0	112.2	L432 I433 E435 R507 Y508	L432-A494 CarbonylContact C-O 3.53Å; L432-A494 WeakPolarHBondContact CA-O 3.29Å; I433-A494 PolarHBondContact N-O 3.37Å; I433-A494 PolarHBondContact O-N 3.2Å; E435-A494 HydrophobicContact CG-CB 4.04Å; E435-A494 WeakPolarHBondContact OE1-CB 3.42Å; A494-R507 HydrophobicContact CB-CG 4.17Å; A494-Y508 CarbonylContact C-O 3.48Å; A494-Y508 WeakPolarHBondContact CA-O 3.46Å
495	L	87.3	Confident	74.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.8	156.9	-171.6	70.7	0	0	0	107.7	I393 L410 A431 L432 L457 L504 Y508	I393-L495 HydrophobicContact CD1-CD2 3.77Å; I393-L495 HydrophobicContact CG1-CD2 4.09Å; I393-L495 HydrophobicContact CG2-CD2 4.04Å; L410-L495 HydrophobicContact CD2-CD1 3.85Å; A431-L495 WeakPolarHBondContact O-CA 3.41Å; L432-L495 HydrophobicContact CD2-CD1 3.86Å; L457-L495 HydrophobicContact CD1-CD1 4.11Å; L495-L504 HydrophobicContact CD2-CD1 4.25Å; L495-Y508 PolarHBondContact N-O 2.83Å; L495-Y508 PolarHBondContact O-N 2.8Å; L495-Y508 VanDerWaalsContact O-N 3.09Å
496	Q	86.6	Confident	75.8	Confident	72 Å²	72	54.7 Å²	54.7	34%	0.336	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.2	169.9	-179.1	162.1	-9.8	0	0	109.2	S430 A431 I433 R507	S430-Q496 WeakPolarHBondContact CA-O 3.19Å; S430-Q496 WeakPolarHBondContact CB-O 3.38Å; A431-Q496 PolarHBondContact N-O 2.9Å; A431-Q496 PolarHBondContact O-N 2.83Å; I433-Q496 HydrophobicContact CD1-CB 3.78Å; Q496-R507 VanDerWaalsContact OE1-NH1 3.09Å
497	P	82.9	Confident	76.6	Confident	22 Å²	22	56.7 Å²	56.7	14%	0.143	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-67.4	159.4	174.3	28.9	-35	0	0	0	111.4	L504	P497-L504 HydrophobicContact CB-CB 3.79Å; P497-L504 WeakPolarHBondContact CB-O 3.36Å; P497-L504 WeakPolarHBondContact CG-O 3.4Å
498	H	79.9	Confident	77.3	Confident	104 Å²	104	57.3 Å²	57.3	48%	0.481	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-78.4	133.9	172.7	-172	-66	0	0	0	109.8	K429 N500 D501	K429-H498 HydrophobicContact CB-CB 3.75Å; K429-H498 HydrophobicContact CD-CB 4.11Å; H498-N500 PolarHBondContact O-N 3.18Å; H498-D501 PolarHBondContact O-N 3.04Å; H498-D501 VanDerWaalsContact O-N 3.16Å
499	N	65	Low	77.6	Confident	122 Å²	122	57.9 Å²	57.9	65%	0.652	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	137.6	175.3	-63.9	4.4	0	0	0	110.9
500	N	61.7	Low	77.8	Confident	171 Å²	171	57 Å²	57	91%	0.914	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	25.2	-176	-48.4	-11.9	0	0	0	115.9	H498	H498-N500 PolarHBondContact O-N 3.18Å
501	D	60.3	Low	77.7	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.123	30%	0.303	C	S	.	.			trans	-100.6	115.3	165.1	-146.6	-56.1	0	0	0	111.3	K429 H498 V503	K429-D501 WeakPolarHBondContact CD-OD2 3.38Å; K429-D501 WeakPolarHBondContact CE-OD2 3.27Å; K429-D501 IonicContact NZ-OD2 2.65Å; K429-D501 PolarHBondContact NZ-OD2 3.34Å; H498-D501 PolarHBondContact O-N 3.04Å; H498-D501 VanDerWaalsContact O-N 3.16Å; D501-V503 PolarHBondContact O-N 3.41Å; D501-V503 WeakPolarHBondContact OD1-CG2 3.37Å; D501-V503 PolarHBondContact OD1-N 3.03Å
502	S	61.8	Low	77.5	Confident	118 Å²	118	58.8 Å²	58.8	83%	0.825	31%	0.309	S	S	*	.	S	Bend	trans	-85.3	12.5	-176.1	69.7	0	0	0	0	113.9
503	V	65.4	Low	77.1	Confident	24 Å²	24	60.7 Å²	60.7	15%	0.145	32%	0.319	C	S	.	.	S	Bend	trans	-108.6	-27.9	-177.4	-171.1	0	0	0	0	111.7	Q389 A422 F423 A426 D501	Q389-V503 PolarHBondContact NE2-O 3.21Å; Q389-V503 PolarHBondContact OE1-O 2.92Å; A422-V503 HydrophobicContact CB-CG1 4.27Å; A422-V503 HydrophobicContact CB-CG2 3.93Å; F423-V503 HydrophobicContact CB-CG1 4.15Å; F423-V503 HydrophobicContact CD2-CG1 4.11Å; A426-V503 HydrophobicContact CB-CB 4Å; A426-V503 HydrophobicContact CB-CG1 4.4Å; D501-V503 PolarHBondContact O-N 3.41Å; D501-V503 WeakPolarHBondContact OD1-CG2 3.37Å; D501-V503 PolarHBondContact OD1-N 3.03Å
504	L	69.3	Low	76.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	32%	0.319	C	S	.	.			trans	-124.5	88.7	170.4	-69.5	172.9	0	0	0	106.9	I393 F423 A426 M427 L495 P497 Y508	I393-L504 HydrophobicContact CD1-CD2 4.18Å; F423-L504 HydrophobicContact CD2-CD2 4.13Å; F423-L504 HydrophobicContact CE2-CD2 3.51Å; F423-L504 HydrophobicContact CE2-CG 4.4Å; F423-L504 HydrophobicContact CZ-CD2 4.13Å; A426-L504 HydrophobicContact CB-CB 4.38Å; A426-L504 HydrophobicContact CB-CD1 3.66Å; A426-L504 HydrophobicContact CB-CG 3.83Å; M427-L504 HydrophobicContact CG-CD1 3.97Å; L495-L504 HydrophobicContact CD2-CD1 4.25Å; P497-L504 HydrophobicContact CB-CB 3.79Å; P497-L504 WeakPolarHBondContact CB-O 3.36Å; P497-L504 WeakPolarHBondContact CG-O 3.4Å; L504-Y508 HydrophobicContact CD2-CE2 3.96Å
505	D	67.8	Low	75.6	Confident	125 Å²	125	64.1 Å²	64.1	67%	0.668	34%	0.34	S	S	*	.			trans	-80	-27	-174.6	57.5	-15.7	0	0	0	113.7
506	Q	76.7	Confident	74.6	Confident	105 Å²	105	66.3 Å²	66.3	49%	0.491	35%	0.351	S	S	.	.	S	Bend	trans	-121.2	158.8	-176.5	64.6	-175.6	-28.7	0	0	114.5	Y508	Q506-Y508 HydrophobicContact CG-CD1 4.41Å; Q506-Y508 HydrophobicContact CG-CD2 4.36Å; Q506-Y508 HydrophobicContact CG-CE1 3.79Å; Q506-Y508 HydrophobicContact CG-CE2 3.74Å; Q506-Y508 VanDerWaalsContact CG-CZ 3.42Å; Q506-Y508 PolarHBondContact NE2-OH 2.8Å; Q506-Y508 WeakPolarHBondContact O-CD2 3.35Å
507	R	82.5	Confident	73.3	Confident	114 Å²	114	65.3 Å²	65.3	43%	0.43	35%	0.35	S	S	.	.			trans	-79.8	120.7	173.5	-179.5	-171.6	-173.7	113.7	-5	109.4	E435 A494 Q496	E435-R507 IonicContact OE1-CZ 2.82Å; E435-R507 IonicContact OE1-NE 2.88Å; E435-R507 PolarHBondContact OE1-NE 3.33Å; E435-R507 IonicContact OE1-NH2 3.78Å; E435-R507 PolarHBondContact OE1-NH2 2.82Å; A494-R507 HydrophobicContact CB-CG 4.17Å; Q496-R507 VanDerWaalsContact OE1-NH1 3.09Å
508	Y	84.4	Confident	72	Confident	14 Å²	14	67 Å²	67	6%	0.055	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.3	180	-67.1	-79.9	0	0	0	111.1	Q389 Q390 I393 A494 L495 L504 Q506 F510	Q389-Y508 HydrophobicContact CB-CE1 4.41Å; Q389-Y508 HydrophobicContact CB-CE2 4.46Å; Q389-Y508 WeakPolarHBondContact CB-OH 3.45Å; Q389-Y508 PolarHBondContact OE1-OH 2.89Å; Q390-Y508 HydrophobicContact CB-CD1 3.85Å; Q390-Y508 HydrophobicContact CB-CE1 3.89Å; Q390-Y508 HydrophobicContact CG-CD1 4.05Å; I393-Y508 HydrophobicContact CD1-CD1 4.47Å; I393-Y508 HydrophobicContact CD1-CD2 3.47Å; I393-Y508 VanDerWaalsContact CD1-CD2 3.47Å; I393-Y508 HydrophobicContact CD1-CE2 3.85Å; I393-Y508 HydrophobicContact CD1-CG 3.82Å; A494-Y508 CarbonylContact C-O 3.48Å; A494-Y508 WeakPolarHBondContact CA-O 3.46Å; L495-Y508 PolarHBondContact N-O 2.83Å; L495-Y508 PolarHBondContact O-N 2.8Å; L495-Y508 VanDerWaalsContact O-N 3.09Å; L504-Y508 HydrophobicContact CD2-CE2 3.96Å; Q506-Y508 HydrophobicContact CG-CD1 4.41Å; Q506-Y508 HydrophobicContact CG-CD2 4.36Å; Q506-Y508 HydrophobicContact CG-CE1 3.79Å; Q506-Y508 HydrophobicContact CG-CE2 3.74Å; Q506-Y508 VanDerWaalsContact CG-CZ 3.42Å; Q506-Y508 PolarHBondContact NE2-OH 2.8Å; Q506-Y508 WeakPolarHBondContact O-CD2 3.35Å; Y508-F510 WeakPolarHBondContact O-CD2 3.4Å; Y508-F510 VanDerWaalsContact O-CE2 3.29Å; Y508-F510 WeakPolarHBondContact O-CE2 3.24Å
509	S	84.5	Confident	70.6	Confident	39 Å²	39	67.2 Å²	67.2	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133	176.1	-62.9	0	0	0	0	112.4	E435	E435-S509 PolarHBondContact OE1-OG 2.8Å; E435-S509 WeakPolarHBondContact OE2-CB 3.41Å; E435-S509 PolarHBondContact OE2-OG 3.05Å
510	F	83.9	Confident	69.7	Low	11 Å²	11	73.3 Å²	73.3	5%	0.048	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.4	-179.5	-55.8	-85.5	0	0	0	110.4	Q390 I393 Q394 L397 K492 V493 Y508 L512	Q390-F510 HydrophobicContact CG-CE1 3.74Å; Q390-F510 HydrophobicContact CG-CZ 4.13Å; Q390-F510 WeakPolarHBondContact O-CE1 3.19Å; I393-F510 HydrophobicContact CB-CE2 4.29Å; I393-F510 HydrophobicContact CB-CZ 3.73Å; I393-F510 HydrophobicContact CG2-CE1 4.45Å; I393-F510 HydrophobicContact CG2-CE2 3.47Å; I393-F510 VanDerWaalsContact CG2-CE2 3.47Å; I393-F510 HydrophobicContact CG2-CZ 3.43Å; I393-F510 VanDerWaalsContact CG2-CZ 3.43Å; Q394-F510 HydrophobicContact CB-CD1 4.09Å; Q394-F510 HydrophobicContact CB-CE1 3.8Å; Q394-F510 HydrophobicContact CG-CD1 4.24Å; Q394-F510 HydrophobicContact CG-CE1 4.44Å; L397-F510 HydrophobicContact CD1-CB 4.24Å; L397-F510 HydrophobicContact CD1-CD1 4.25Å; L397-F510 HydrophobicContact CD1-CD2 3.49Å; L397-F510 VanDerWaalsContact CD1-CD2 3.49Å; L397-F510 HydrophobicContact CD1-CE2 3.87Å; L397-F510 HydrophobicContact CD1-CG 3.7Å; L397-F510 HydrophobicContact CD1-CZ 4.41Å; K492-F510 CarbonylContact C-O 3.53Å; K492-F510 WeakPolarHBondContact CA-O 3.29Å; V493-F510 PolarHBondContact N-O 2.67Å; V493-F510 PolarHBondContact O-N 2.93Å; Y508-F510 WeakPolarHBondContact O-CD2 3.4Å; Y508-F510 VanDerWaalsContact O-CE2 3.29Å; Y508-F510 WeakPolarHBondContact O-CE2 3.24Å; F510-L512 HydrophobicContact CB-CD2 4.42Å; F510-L512 HydrophobicContact CB-CG 4.48Å
511	V	83.6	Confident	68.7	Low	77 Å²	77	72 Å²	72	47%	0.467	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.4	171.6	175.4	0	0	0	0	108.2	K490 K492	K490-V511 HydrophobicContact CD-CG1 4.28Å; K490-V511 HydrophobicContact CG-CG1 4.02Å; K492-V511 HydrophobicContact CG-CG2 4.47Å
512	L	81.9	Confident	67.8	Low	25 Å²	25	73.4 Å²	73.4	13%	0.131	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.9	-175.9	-58	174.7	0	0	0	110.1	I408 M491 V493 F510	I408-L512 HydrophobicContact CD1-CD1 3.96Å; I408-L512 HydrophobicContact CG1-CD1 4.48Å; I408-L512 HydrophobicContact CG2-CD1 4.19Å; M491-L512 HydrophobicContact CG-CB 3.81Å; M491-L512 PolarHBondContact N-O 3.4Å; M491-L512 PolarHBondContact O-N 2.81Å; M491-L512 HydrophobicContact SD-CB 4.18Å; V493-L512 HydrophobicContact CB-CD1 4.13Å; V493-L512 HydrophobicContact CG2-CD1 3.93Å; F510-L512 HydrophobicContact CB-CD2 4.42Å; F510-L512 HydrophobicContact CB-CG 4.48Å
513	H	80.1	Confident	67.2	Low	103 Å²	103	70.7 Å²	70.7	48%	0.477	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	-173.5	-73.7	-92.5	0	0	0	110.5	Y489	Y489-H513 WeakPolarHBondContact O-CA 3.3Å
514	C	74.1	Confident	66.8	Low	1 Å²	1	77 Å²	77	1%	0.007	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.1	177.5	-179.6	0	0	0	0	108.4	C401 I406 Y489 M491	C401-C514 HydrophobicContact CB-CB 4.49Å; C401-C514 WeakPolarHBondContact CB-SG 3.31Å; C401-C514 WeakPolarHBondContact SG-CA 3.44Å; C401-C514 WeakPolarHBondContact SG-CB 3.27Å; C401-C514 CovalentContact SG-SG 2.03Å; C401-C514 PolarHBondContact SG-SG 3.24Å; I406-C514 HydrophobicContact CD1-CB 4.3Å; Y489-C514 PolarHBondContact N-O 2.93Å; Y489-C514 PolarHBondContact O-N 3.16Å; M491-C514 HydrophobicContact CE-CB 3.84Å
515	V	68.8	Low	66.5	Low	72 Å²	72	77.8 Å²	77.8	44%	0.436	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122	-174.1	-174.4	0	0	0	0	109.5	N486 V487 T488	N486-V515 HydrophobicContact CB-CG1 4.21Å; V487-V515 WeakPolarHBondContact O-CA 3.38Å; T488-V515 HydrophobicContact CG2-CG2 4.21Å
516	L	65.2	Low	66.6	Low	47 Å²	47	76.2 Å²	76.2	25%	0.246	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.1	176.5	-64.6	-177.8	0	0	0	110.4	C401 Y463 V487 Y489 D518	C401-L516 HydrophobicContact CB-CD2 4.34Å; Y463-L516 HydrophobicContact CD1-CD1 4.44Å; Y463-L516 HydrophobicContact CE1-CD1 3.75Å; Y463-L516 HydrophobicContact CE2-CD1 4.34Å; V487-L516 PolarHBondContact N-O 2.98Å; V487-L516 PolarHBondContact O-N 2.83Å; Y489-L516 HydrophobicContact CE2-CB 4.45Å; Y489-L516 HydrophobicContact CE2-CD1 4.02Å; Y489-L516 HydrophobicContact CE2-CG 4.4Å; L516-D518 PolarHBondContact O-N 2.75Å
517	P	58.7	Low	66.6	Low	51 Å²	51	71.4 Å²	71.4	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.5	167.5	28	-33.4	0	0	0	110.1	K519 W563	P517-K519 PolarHBondContact O-N 3.21Å; P517-W563 HydrophobicContact CG-CB 4.41Å
518	D	56	Low	66.5	Low	58 Å²	58	68.1 Å²	68.1	31%	0.31	33%	0.329	S	S	.	.	S	Bend	trans	-62.8	-30.9	-175.4	-172.2	37.1	0	0	0	112.7	R470 S485 V487 L516	R470-D518 IonicContact NH2-OD1 2.8Å; R470-D518 PolarHBondContact NH2-OD1 3Å; S485-D518 WeakPolarHBondContact CB-OD2 3.49Å; S485-D518 WeakPolarHBondContact O-CB 3.34Å; S485-D518 PolarHBondContact O-N 3.38Å; S485-D518 VanDerWaalsContact OG-CB 3.26Å; S485-D518 WeakPolarHBondContact OG-CB 3.33Å; S485-D518 PolarHBondContact OG-OD2 3.28Å; V487-D518 HydrophobicContact CG2-CB 3.6Å; V487-D518 WeakPolarHBondContact CG2-OD1 3.29Å; L516-D518 PolarHBondContact O-N 2.75Å
519	K	51.3	Low	66.5	Low	108 Å²	108	68.5 Å²	68.5	47%	0.47	33%	0.331	S	S	.	.	S	Bend	trans	-83.7	119.3	168.3	-68.9	166.5	-172.4	166.3	0	108.3	N483 P517 K521	N483-K519 PolarHBondContact O-NZ 2.03Å; P517-K519 PolarHBondContact O-N 3.21Å; K519-K521 HydrophobicContact CB-CG 4.44Å; K519-K521 PolarHBondContact O-N 3.14Å
520	R	45.2	Very low	66.5	Low	251 Å²	251	70.7 Å²	70.7	95%	0.947	33%	0.334	S	S	*	.			trans	-64.8	42	164.4	-68	-176.4	173.4	-177.3	-3.6	112.8	D522	R520-D522 VanDerWaalsContact C-N 3.3Å; R520-D522 PolarHBondContact O-N 2.73Å
521	K	41.6	Very low	66.6	Low	142 Å²	142	70.7 Å²	70.7	62%	0.617	34%	0.335	S	S	*	.			trans	-66.3	100	157.8	-76.4	-164.5	172.9	-166.4	0	106.1	K519	K519-K521 HydrophobicContact CB-CG 4.44Å; K519-K521 PolarHBondContact O-N 3.14Å
522	D	41.5	Very low	66.6	Low	53 Å²	53	67.1 Å²	67.1	28%	0.283	31%	0.313	S	S	.	.			trans	-26	116.6	163.2	-169.1	33	0	0	0	109.3	R403 R520 R524	R403-D522 IonicContact CZ-OD1 3.78Å; R403-D522 IonicContact NH1-OD1 2.67Å; R403-D522 PolarHBondContact NH1-OD1 2.83Å; R403-D522 IonicContact NH2-OD1 3.05Å; R403-D522 PolarHBondContact NH2-OD1 2.88Å; R520-D522 VanDerWaalsContact C-N 3.3Å; R520-D522 PolarHBondContact O-N 2.73Å; D522-R524 WeakPolarHBondContact O-CG 3.33Å; D522-R524 PolarHBondContact O-N 3.35Å; D522-R524 IonicContact OD2-CZ 2.71Å; D522-R524 IonicContact OD2-NE 3.99Å; D522-R524 PolarHBondContact OD2-NE 3.45Å; D522-R524 IonicContact OD2-NH2 3.76Å; D522-R524 PolarHBondContact OD2-NH2 2.9Å
523	P	49.4	Very low	66.5	Low	61 Å²	61	72.8 Å²	72.8	40%	0.396	34%	0.336	S	S	.	.			trans	-73	66	-160.6	27.3	-36.6	0	0	0	113	W563	P523-W563 HydrophobicContact CB-CG 4.36Å; P523-W563 PolarHBondContact O-NE1 3.13Å
524	R	55.3	Low	66.5	Low	156 Å²	156	69.7 Å²	69.7	59%	0.589	33%	0.326	S	S	*	.			trans	-79.3	126.3	-178.4	-67.9	173.6	-170.6	-163.5	1.9	109	D522 S562	D522-R524 WeakPolarHBondContact O-CG 3.33Å; D522-R524 PolarHBondContact O-N 3.35Å; D522-R524 IonicContact OD2-CZ 2.71Å; D522-R524 IonicContact OD2-NE 3.99Å; D522-R524 PolarHBondContact OD2-NE 3.45Å; D522-R524 IonicContact OD2-NH2 3.76Å; D522-R524 PolarHBondContact OD2-NH2 2.9Å; R524-S562 PolarHBondContact O-N 2.96Å; R524-S562 PolarHBondContact O-OG 3.4Å; R524-S562 VanDerWaalsContact O-OG 3.12Å
525	V	63.9	Low	66.8	Low	20 Å²	20	74.9 Å²	74.9	12%	0.121	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.7	153.6	-175.1	0	0	0	0	105.7	A559 I569 P647 I659	V525-A559 HydrophobicContact CG1-CB 3.74Å; V525-I569 HydrophobicContact CG1-CG2 4.14Å; V525-I569 HydrophobicContact CG2-CD1 4.45Å; V525-P647 HydrophobicContact CB-CB 4.07Å; V525-P647 HydrophobicContact CB-CG 4.37Å; V525-P647 HydrophobicContact CG1-CB 4.03Å; V525-P647 HydrophobicContact CG2-CB 4Å; V525-P647 HydrophobicContact CG2-CG 4.36Å; V525-I659 HydrophobicContact CG2-CD1 4.43Å
526	E	70.2	Confident	67.2	Low	92 Å²	92	76.4 Å²	76.4	43%	0.43	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.5	166.7	-70.8	158.7	-172.9	0	0	107.8	R560	E526-R560 HydrophobicContact CB-CB 4.31Å; E526-R560 PolarHBondContact N-O 2.97Å; E526-R560 PolarHBondContact O-N 2.83Å
527	H	77	Confident	67.9	Low	4 Å²	4	76.5 Å²	76.5	2%	0.019	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.9	175.5	-66.7	-79.5	0	0	0	108	K558 S571 F645 P647 V688 Q690	H527-K558 WeakPolarHBondContact CA-O 3.3Å; H527-S571 PolarHBondContact ND1-OG 3.39Å; H527-F645 HydrophobicContact CB-CB 4.15Å; H527-F645 HydrophobicContact CB-CD2 4.22Å; H527-F645 HydrophobicContact CB-CG 4.47Å; H527-P647 WeakPolarHBondContact NE2-CD 3.49Å; H527-V688 HydrophobicContact CB-CB 4.38Å; H527-Q690 WeakPolarHBondContact O-CG 3.4Å; H527-Q690 PolarHBondContact O-NE2 2.93Å
528	D	80.1	Confident	68.6	Low	46 Å²	46	84.9 Å²	84.9	25%	0.246	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.6	179.3	-66.6	-46.1	0	0	0	110.1	Y530 G557 K558	D528-Y530 HydrophobicContact CB-CD2 4.37Å; D528-Y530 HydrophobicContact CB-CE2 3.68Å; D528-G557 CarbonylContact O-C 3.56Å; D528-G557 WeakPolarHBondContact O-CA 3.49Å; D528-K558 PolarHBondContact N-O 2.87Å; D528-K558 PolarHBondContact O-N 3.27Å
529	I	83.5	Confident	69.6	Low	22 Å²	22	86.6 Å²	86.6	11%	0.113	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.7	172.6	-67.5	172.6	0	0	0	109.8	L531 I555 Q556 C643 F645 Q690 V692	I529-L531 HydrophobicContact CG2-CD2 4.2Å; I529-I555 HydrophobicContact CG2-CG2 3.85Å; I529-Q556 WeakPolarHBondContact CA-O 3.43Å; I529-C643 HydrophobicContact CD1-CB 3.99Å; I529-F645 HydrophobicContact CD1-CE2 4.11Å; I529-F645 HydrophobicContact CG1-CE2 3.59Å; I529-F645 HydrophobicContact CG1-CZ 4.02Å; I529-Q690 HydrophobicContact CD1-CB 3.5Å; I529-Q690 WeakPolarHBondContact CD1-O 3.43Å; I529-Q690 HydrophobicContact CG1-CB 3.62Å; I529-V692 HydrophobicContact CB-CG2 3.85Å; I529-V692 HydrophobicContact CD1-CG2 4.42Å; I529-V692 HydrophobicContact CG2-CG2 3.62Å
530	Y	85.2	Confident	70.9	Confident	85 Å²	85	84 Å²	84	33%	0.333	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136	173.4	-70.1	-74	0	0	0	110.8	D528 P540 Q556 K558	D528-Y530 HydrophobicContact CB-CD2 4.37Å; D528-Y530 HydrophobicContact CB-CE2 3.68Å; Y530-P540 HydrophobicContact CD1-CB 3.5Å; Y530-P540 VanDerWaalsContact CD1-CB 3.5Å; Y530-P540 HydrophobicContact CD1-CG 3.69Å; Y530-P540 HydrophobicContact CE1-CB 4.39Å; Y530-P540 HydrophobicContact CE1-CG 4.12Å; Y530-P540 HydrophobicContact CG-CB 4.09Å; Y530-Q556 PolarHBondContact N-O 3.06Å; Y530-Q556 PolarHBondContact O-N 2.9Å; Y530-K558 HydrophobicContact CD2-CB 3.89Å; Y530-K558 HydrophobicContact CD2-CD 3.84Å; Y530-K558 HydrophobicContact CD2-CG 4.03Å; Y530-K558 HydrophobicContact CE2-CB 3.84Å; Y530-K558 HydrophobicContact CE2-CD 4.07Å; Y530-K558 HydrophobicContact CE2-CG 4.35Å
531	L	85.4	Confident	72.3	Confident	11 Å²	11	73.8 Å²	73.8	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.7	176.5	-57.7	-176.4	0	0	0	110.7	I529 P540 V541 M544 M553 F554 I555 V692 L694	I529-L531 HydrophobicContact CG2-CD2 4.2Å; L531-P540 CarbonylContact O-C 3.57Å; L531-P540 WeakPolarHBondContact O-CA 3.43Å; L531-V541 PolarHBondContact O-N 3.09Å; L531-M544 HydrophobicContact CB-SD 4.24Å; L531-M544 HydrophobicContact CD1-CB 4.25Å; L531-M553 HydrophobicContact CD1-CE 4.27Å; L531-M553 HydrophobicContact CD1-SD 3.77Å; L531-M553 HydrophobicContact CD2-CG 4.25Å; L531-M553 HydrophobicContact CD2-SD 3.79Å; L531-M553 HydrophobicContact CG-SD 4.28Å; L531-F554 CarbonylContact C-O 3.59Å; L531-F554 WeakPolarHBondContact CA-O 3.37Å; L531-I555 HydrophobicContact CD2-CB 4.27Å; L531-I555 HydrophobicContact CD2-CG1 3.85Å; L531-I555 HydrophobicContact CD2-CG2 4.21Å; L531-V692 HydrophobicContact CD1-CG1 3.87Å; L531-L694 HydrophobicContact CD1-CD1 4.39Å; L531-L694 HydrophobicContact CD1-CD2 3.87Å; L531-L694 HydrophobicContact CD1-CG 4.48Å
532	Y	84.5	Confident	73	Confident	1 Å²	1	72.7 Å²	72.7	0%	0.004	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.4	179.3	-53.8	-97.3	0	0	0	109.7	S534 E537 T539 P540 F554 Q556 K558 K618	Y532-S534 VanDerWaalsContact C-N 3.33Å; Y532-E537 HydrophobicContact CD1-CB 4.39Å; Y532-E537 HydrophobicContact CD1-CG 4.27Å; Y532-E537 VanDerWaalsContact CD1-O 3.31Å; Y532-E537 WeakPolarHBondContact CD1-O 3.34Å; Y532-T539 VanDerWaalsContact CD1-O 3.28Å; Y532-T539 WeakPolarHBondContact CD1-O 3.5Å; Y532-P540 HydrophobicContact CE1-CB 4.04Å; Y532-F554 PolarHBondContact N-O 2.95Å; Y532-F554 PolarHBondContact O-N 3.46Å; Y532-Q556 HydrophobicContact CD2-CB 4.34Å; Y532-Q556 HydrophobicContact CE2-CB 3.64Å; Y532-Q556 VanDerWaalsContact CE2-OE1 3.26Å; Y532-Q556 VanDerWaalsContact CZ-OE1 3.27Å; Y532-Q556 PolarHBondContact OH-OE1 3.48Å; Y532-K558 PolarHBondContact OH-NZ 3.32Å; Y532-K618 HydrophobicContact CD2-CD 4.42Å
533	K	80.3	Confident	73.5	Confident	144 Å²	144	80.8 Å²	80.8	63%	0.626	39%	0.392	S	S	*	.	S	Bend	trans	-76	-22.6	173.3	-56.9	-172.4	179.4	-175.6	0	112.1	E537 V541	K533-E537 WeakPolarHBondContact CA-OE2 3.47Å; K533-E537 WeakPolarHBondContact CB-OE2 3.35Å; K533-E537 PolarHBondContact N-OE2 3Å; K533-V541 HydrophobicContact CG-CG2 3.73Å
534	S	79.2	Confident	73.9	Confident	38 Å²	38	79.6 Å²	79.6	27%	0.266	38%	0.381	S	S	.	.	S	Bend	trans	-142	159.3	176.9	77.3	0	0	0	0	114.7	Y532 T536 E537 F554 K618	Y532-S534 VanDerWaalsContact C-N 3.33Å; S534-T536 PolarHBondContact O-N 3.07Å; S534-T536 PolarHBondContact OG-OG1 3.47Å; S534-E537 PolarHBondContact N-OE2 3.45Å; S534-E537 WeakPolarHBondContact OG-CB 3.46Å; S534-E537 PolarHBondContact OG-N 3.26Å; S534-E537 VanDerWaalsContact OG-N 3.17Å; S534-F554 VanDerWaalsContact C-CD2 3.46Å; S534-F554 VanDerWaalsContact CA-CD2 3.43Å; S534-K618 PolarHBondContact O-NZ 3.21Å
535	K	80.5	Confident	74.3	Confident	110 Å²	110	79.4 Å²	79.4	48%	0.478	39%	0.387	S	S	.	.	S	Bend	trans	-51.7	-41.2	170.9	64.3	-172.2	-179.1	-175.1	0	112.6	F554 F612 K618	K535-F554 HydrophobicContact CB-CD1 4.04Å; K535-F554 HydrophobicContact CB-CE1 3.74Å; K535-F554 HydrophobicContact CB-CZ 4.2Å; K535-F612 VanDerWaalsContact O-CZ 3.3Å; K535-F612 WeakPolarHBondContact O-CZ 3.14Å; K535-K618 WeakPolarHBondContact O-CD 3.14Å; K535-K618 PolarHBondContact O-NZ 3.17Å
536	T	78.1	Confident	74.5	Confident	104 Å²	104	83.3 Å²	83.3	64%	0.638	40%	0.404	S	S	*	.	S	Bend	trans	-87.9	-21.7	-171.6	29	0	0	0	0	114.9	S534 R538	S534-T536 PolarHBondContact O-N 3.07Å; S534-T536 PolarHBondContact OG-OG1 3.47Å; T536-R538 PolarHBondContact O-N 3.32Å
537	E	79.1	Confident	74.6	Confident	50 Å²	50	79 Å²	79	23%	0.234	38%	0.384	C	S	.	.			trans	-61.6	130	-178.2	-177	177.8	-150.5	0	0	112.1	Y532 K533 S534 T539 K618	Y532-E537 HydrophobicContact CD1-CB 4.39Å; Y532-E537 HydrophobicContact CD1-CG 4.27Å; Y532-E537 VanDerWaalsContact CD1-O 3.31Å; Y532-E537 WeakPolarHBondContact CD1-O 3.34Å; K533-E537 WeakPolarHBondContact CA-OE2 3.47Å; K533-E537 WeakPolarHBondContact CB-OE2 3.35Å; K533-E537 PolarHBondContact N-OE2 3Å; S534-E537 PolarHBondContact N-OE2 3.45Å; S534-E537 WeakPolarHBondContact OG-CB 3.46Å; S534-E537 PolarHBondContact OG-N 3.26Å; S534-E537 VanDerWaalsContact OG-N 3.17Å; E537-T539 WeakPolarHBondContact CG-O 3.29Å; E537-K618 PolarHBondContact O-NZ 3.42Å
538	R	73.4	Confident	74.4	Confident	227 Å²	227	81.6 Å²	81.6	86%	0.857	40%	0.396	S	S	*	.			trans	-94.1	-20.5	-179.3	-68.2	-174.5	176	-166.7	-2.1	113.7	T536	T536-R538 PolarHBondContact O-N 3.32Å
539	T	76.5	Confident	74.2	Confident	93 Å²	93	80.1 Å²	80.1	57%	0.571	39%	0.388	S	S	*	.	S	Bend	trans	-89.7	121.1	178.9	40.3	0	0	0	0	110.7	Y532 E537	Y532-T539 VanDerWaalsContact CD1-O 3.28Å; Y532-T539 WeakPolarHBondContact CD1-O 3.5Å; E537-T539 WeakPolarHBondContact CG-O 3.29Å
540	P	78.7	Confident	73.6	Confident	55 Å²	55	81.9 Å²	81.9	36%	0.357	41%	0.412	S	S	.	.			trans	-70.8	148.6	174.4	31.2	-35.3	0	0	0	111.1	Y530 L531 Y532 S542	Y530-P540 HydrophobicContact CD1-CB 3.5Å; Y530-P540 VanDerWaalsContact CD1-CB 3.5Å; Y530-P540 HydrophobicContact CD1-CG 3.69Å; Y530-P540 HydrophobicContact CE1-CB 4.39Å; Y530-P540 HydrophobicContact CE1-CG 4.12Å; Y530-P540 HydrophobicContact CG-CB 4.09Å; L531-P540 CarbonylContact O-C 3.57Å; L531-P540 WeakPolarHBondContact O-CA 3.43Å; Y532-P540 HydrophobicContact CE1-CB 4.04Å; P540-S542 PolarHBondContact O-N 3.2Å; P540-S542 VanDerWaalsContact O-N 3.12Å
541	V	74.3	Confident	73.2	Confident	36 Å²	36	80.5 Å²	80.5	22%	0.218	41%	0.413	C	S	.	.			trans	-76.3	102.3	179.1	-172.2	0	0	0	0	109.3	L531 K533 R543 M544	L531-V541 PolarHBondContact O-N 3.09Å; K533-V541 HydrophobicContact CG-CG2 3.73Å; V541-R543 PolarHBondContact O-N 3.41Å; V541-R543 VanDerWaalsContact O-N 3.1Å; V541-M544 HydrophobicContact CB-CB 3.94Å; V541-M544 HydrophobicContact CB-SD 4.21Å; V541-M544 HydrophobicContact CG1-CB 3.68Å; V541-M544 HydrophobicContact CG1-CG 4.24Å; V541-M544 HydrophobicContact CG1-SD 4.33Å; V541-M544 HydrophobicContact CG2-SD 4.14Å
542	S	56.3	Low	72.8	Confident	119 Å²	119	83 Å²	83	83%	0.832	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.9	-174.3	57.2	0	0	0	0	115.6	P540	P540-S542 PolarHBondContact O-N 3.2Å; P540-S542 VanDerWaalsContact O-N 3.12Å
543	R	52.7	Low	72.7	Confident	222 Å²	222	83 Å²	83	84%	0.838	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	45.5	179.7	-64.5	-172.6	178.9	176.9	-0.4	112.7	V541 Q545	V541-R543 PolarHBondContact O-N 3.41Å; V541-R543 VanDerWaalsContact O-N 3.1Å; R543-Q545 PolarHBondContact O-N 2.88Å
544	M	58.3	Low	72.9	Confident	37 Å²	37	77.3 Å²	77.3	18%	0.182	40%	0.403	C	S	.	.			trans	-78.4	78.6	172.1	-152.5	157.7	-167.7	0	0	109.9	L531 V541 M553 L694	L531-M544 HydrophobicContact CB-SD 4.24Å; L531-M544 HydrophobicContact CD1-CB 4.25Å; V541-M544 HydrophobicContact CB-CB 3.94Å; V541-M544 HydrophobicContact CB-SD 4.21Å; V541-M544 HydrophobicContact CG1-CB 3.68Å; V541-M544 HydrophobicContact CG1-CG 4.24Å; V541-M544 HydrophobicContact CG1-SD 4.33Å; V541-M544 HydrophobicContact CG2-SD 4.14Å; M544-M553 HydrophobicContact CE-CE 3.77Å; M544-M553 HydrophobicContact CG-CE 4.28Å; M544-M553 HydrophobicContact SD-CE 3.88Å; M544-L694 HydrophobicContact CG-CD2 4.44Å; M544-L694 VanDerWaalsContact O-CD2 3.23Å; M544-L694 WeakPolarHBondContact O-CD2 3.12Å
545	Q	62.5	Low	73.2	Confident	152 Å²	152	75.5 Å²	75.5	71%	0.71	39%	0.391	S	S	*	.			trans	-89.8	-31.1	169.8	-75.1	-176.8	-25.2	0	0	111.8	R543 A695	R543-Q545 PolarHBondContact O-N 2.88Å; Q545-A695 PolarHBondContact O-N 3.08Å
546	E	68.4	Low	73.6	Confident	101 Å²	101	70.2 Å²	70.2	47%	0.472	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.1	176.7	-68.1	178.3	-160.8	0	0	111.2	A695 V697 R700	E546-A695 WeakPolarHBondContact CA-O 3.06Å; E546-V697 HydrophobicContact CB-CG2 3.81Å; E546-V697 HydrophobicContact CG-CG2 3.69Å; E546-R700 IonicContact OE2-NH2 3.98Å; E546-R700 PolarHBondContact OE2-NH2 3.23Å
547	A	72.9	Confident	73.9	Confident	2 Å²	2	65.3 Å²	65.3	2%	0.017	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.3	167.4	0	0	0	0	0	110.3	M553 L623 A695 L696 V697	A547-M553 HydrophobicContact CB-CE 3.68Å; A547-L623 HydrophobicContact CB-CD1 3.59Å; A547-A695 PolarHBondContact N-O 3.4Å; A547-L696 WeakPolarHBondContact O-CA 3.48Å; A547-V697 PolarHBondContact O-N 2.96Å
548	E	73.7	Confident	74.1	Confident	59 Å²	59	65.7 Å²	65.7	28%	0.276	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.1	-179.6	-68.3	-174.6	-152.5	0	0	111.3	G550 T551 V697 R700	E548-G550 PolarHBondContact O-N 3.35Å; E548-T551 HydrophobicContact CB-CG2 3.89Å; E548-T551 WeakPolarHBondContact O-CB 3.38Å; E548-T551 WeakPolarHBondContact O-CG2 3.49Å; E548-T551 PolarHBondContact O-N 3.02Å; E548-T551 PolarHBondContact O-OG1 3.04Å; E548-V697 WeakPolarHBondContact CA-O 3.03Å; E548-R700 WeakPolarHBondContact OE1-CD 3.47Å; E548-R700 WeakPolarHBondContact OE1-CG 3.25Å; E548-R700 IonicContact OE1-CZ 3.48Å; E548-R700 IonicContact OE1-NE 3.43Å; E548-R700 PolarHBondContact OE1-NE 3.04Å; E548-R700 VanDerWaalsContact OE1-NE 3.13Å; E548-R700 PolarHBondContact OE2-N 3.47Å
549	L	74.3	Confident	74.2	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.073	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	125	176.9	-170.8	77.4	0	0	0	110.1	L623 R625 I628 F631 L696 V697	L549-L623 WeakPolarHBondContact CD1-O 3.46Å; L549-R625 HydrophobicContact CD2-CG 3.82Å; L549-I628 HydrophobicContact CD1-CD1 4.48Å; L549-F631 HydrophobicContact CD2-CD1 3.75Å; L549-F631 HydrophobicContact CD2-CE1 4.04Å; L549-F631 HydrophobicContact CD2-CG 4.35Å; L549-L696 HydrophobicContact CD1-CD2 4Å; L549-V697 PolarHBondContact N-O 3.2Å; L549-V697 VanDerWaalsContact N-O 3.07Å
550	G	71.5	Confident	74.1	Confident	59 Å²	59	59.6 Å²	59.6	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.9	-12.8	-170.8	0	0	0	0	0	113.8	E548 L623	E548-G550 PolarHBondContact O-N 3.35Å; G550-L623 PolarHBondContact N-O 3.27Å
551	T	76.2	Confident	73.5	Confident	57 Å²	57	57.9 Å²	57.9	35%	0.35	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-84.5	155.1	178.3	64.7	0	0	0	0	113.1	E548 L623	E548-T551 HydrophobicContact CB-CG2 3.89Å; E548-T551 WeakPolarHBondContact O-CB 3.38Å; E548-T551 WeakPolarHBondContact O-CG2 3.49Å; E548-T551 PolarHBondContact O-N 3.02Å; E548-T551 PolarHBondContact O-OG1 3.04Å; T551-L623 PolarHBondContact O-N 2.64Å
552	T	77.8	Confident	72.7	Confident	63 Å²	63	58.8 Å²	58.8	39%	0.387	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118	168.6	-59.1	0	0	0	0	110.1	F554 L621	T552-F554 HydrophobicContact CG2-CD2 4.48Å; T552-F554 HydrophobicContact CG2-CE1 4.27Å; T552-F554 HydrophobicContact CG2-CE2 3.8Å; T552-F554 HydrophobicContact CG2-CZ 3.68Å; T552-L621 CarbonylContact C-O 3.59Å; T552-L621 WeakPolarHBondContact CA-O 3.22Å
553	M	81.9	Confident	72.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141.3	174.3	-179.1	173.3	-71.2	0	0	110.7	L531 M544 A547 I555 G620 L621 L623 I641 L694	L531-M553 HydrophobicContact CD1-CE 4.27Å; L531-M553 HydrophobicContact CD1-SD 3.77Å; L531-M553 HydrophobicContact CD2-CG 4.25Å; L531-M553 HydrophobicContact CD2-SD 3.79Å; L531-M553 HydrophobicContact CG-SD 4.28Å; M544-M553 HydrophobicContact CE-CE 3.77Å; M544-M553 HydrophobicContact CG-CE 4.28Å; M544-M553 HydrophobicContact SD-CE 3.88Å; A547-M553 HydrophobicContact CB-CE 3.68Å; M553-I555 HydrophobicContact CG-CG1 4.35Å; M553-G620 CarbonylContact O-C 3.55Å; M553-G620 WeakPolarHBondContact O-CA 3.43Å; M553-L621 PolarHBondContact N-O 3.08Å; M553-L621 PolarHBondContact O-N 3.43Å; M553-L623 HydrophobicContact CB-CD1 4.44Å; M553-L623 HydrophobicContact CE-CD1 4.25Å; M553-I641 HydrophobicContact SD-CD1 4.04Å; M553-L694 HydrophobicContact CE-CD1 3.56Å; M553-L694 HydrophobicContact CE-CD2 3.82Å; M553-L694 HydrophobicContact CE-CG 4.33Å; M553-L694 HydrophobicContact SD-CD1 3.52Å; M553-L694 VanDerWaalsContact SD-CD1 3.52Å
554	F	85.1	Confident	72.4	Confident	24 Å²	24	48.6 Å²	48.6	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.4	176.9	-65.5	-90.5	0	0	0	110.9	L531 Y532 S534 K535 T552 H610 I619	L531-F554 CarbonylContact C-O 3.59Å; L531-F554 WeakPolarHBondContact CA-O 3.37Å; Y532-F554 PolarHBondContact N-O 2.95Å; Y532-F554 PolarHBondContact O-N 3.46Å; S534-F554 VanDerWaalsContact C-CD2 3.46Å; S534-F554 VanDerWaalsContact CA-CD2 3.43Å; K535-F554 HydrophobicContact CB-CD1 4.04Å; K535-F554 HydrophobicContact CB-CE1 3.74Å; K535-F554 HydrophobicContact CB-CZ 4.2Å; T552-F554 HydrophobicContact CG2-CD2 4.48Å; T552-F554 HydrophobicContact CG2-CE1 4.27Å; T552-F554 HydrophobicContact CG2-CE2 3.8Å; T552-F554 HydrophobicContact CG2-CZ 3.68Å; F554-H610 AromaticContact CE1-CD2 3.76Å; F554-H610 AromaticContact CE1-NE2 3.75Å; F554-I619 CarbonylContact C-O 3.59Å; F554-I619 WeakPolarHBondContact CA-O 3.48Å
555	I	85.9	Confident	72.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.7	-175.5	-51.8	155.3	0	0	0	108.8	I529 L531 M553 F591 K618 I619 L621 I641	I529-I555 HydrophobicContact CG2-CG2 3.85Å; L531-I555 HydrophobicContact CD2-CB 4.27Å; L531-I555 HydrophobicContact CD2-CG1 3.85Å; L531-I555 HydrophobicContact CD2-CG2 4.21Å; M553-I555 HydrophobicContact CG-CG1 4.35Å; I555-F591 HydrophobicContact CD1-CE2 3.88Å; I555-F591 HydrophobicContact CD1-CZ 3.74Å; I555-K618 CarbonylContact O-C 3.56Å; I555-K618 WeakPolarHBondContact O-CA 3.34Å; I555-I619 HydrophobicContact CB-CB 4.35Å; I555-I619 PolarHBondContact N-O 2.77Å; I555-I619 PolarHBondContact O-N 3.46Å; I555-L621 HydrophobicContact CD1-CB 3.99Å; I555-L621 HydrophobicContact CD1-CD2 3.91Å; I555-I641 HydrophobicContact CD1-CD1 4.03Å; I555-I641 HydrophobicContact CD1-CG2 4.09Å
556	Q	87	Confident	71.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.4	176.3	-156.1	-174.7	23.8	0	0	110	I529 Y530 Y532 D615 S616 K618	I529-Q556 WeakPolarHBondContact CA-O 3.43Å; Y530-Q556 PolarHBondContact N-O 3.06Å; Y530-Q556 PolarHBondContact O-N 2.9Å; Y532-Q556 HydrophobicContact CD2-CB 4.34Å; Y532-Q556 HydrophobicContact CE2-CB 3.64Å; Y532-Q556 VanDerWaalsContact CE2-OE1 3.26Å; Y532-Q556 VanDerWaalsContact CZ-OE1 3.27Å; Y532-Q556 PolarHBondContact OH-OE1 3.48Å; Q556-D615 PolarHBondContact NE2-OD1 3.06Å; Q556-D615 PolarHBondContact NE2-OD2 2.78Å; Q556-S616 PolarHBondContact NE2-O 3.47Å; Q556-K618 HydrophobicContact CB-CG 4Å; Q556-K618 HydrophobicContact CG-CG 3.75Å
557	G	84.9	Confident	71.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	139.1	160.5	0	0	0	0	0	109.5	D528 S571 S616 F645	D528-G557 CarbonylContact O-C 3.56Å; D528-G557 WeakPolarHBondContact O-CA 3.49Å; G557-S571 VanDerWaalsContact C-CB 3.49Å; G557-S571 WeakPolarHBondContact O-CB 3.5Å; G557-S616 WeakPolarHBondContact O-CB 3.27Å; G557-S616 PolarHBondContact O-OG 3.48Å; G557-F645 VanDerWaalsContact CA-CE1 3.48Å; G557-F645 VanDerWaalsContact CA-CZ 3.45Å
558	K	84	Confident	71.3	Confident	58 Å²	58	48.2 Å²	48.2	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.5	164.7	-77.7	179.4	162.9	162.8	0	110.1	H527 D528 Y530 Y532 S571 D615	H527-K558 WeakPolarHBondContact CA-O 3.3Å; D528-K558 PolarHBondContact N-O 2.87Å; D528-K558 PolarHBondContact O-N 3.27Å; Y530-K558 HydrophobicContact CD2-CB 3.89Å; Y530-K558 HydrophobicContact CD2-CD 3.84Å; Y530-K558 HydrophobicContact CD2-CG 4.03Å; Y530-K558 HydrophobicContact CE2-CB 3.84Å; Y530-K558 HydrophobicContact CE2-CD 4.07Å; Y530-K558 HydrophobicContact CE2-CG 4.35Å; Y532-K558 PolarHBondContact OH-NZ 3.32Å; K558-S571 WeakPolarHBondContact CA-OG 3.44Å; K558-S571 PolarHBondContact N-OG 3.31Å; K558-S571 PolarHBondContact O-OG 2.8Å; K558-D615 WeakPolarHBondContact CE-OD1 3.49Å; K558-D615 VanDerWaalsContact CE-OD2 3.24Å; K558-D615 WeakPolarHBondContact CE-OD2 3.4Å; K558-D615 IonicContact NZ-OD2 2.67Å; K558-D615 PolarHBondContact NZ-OD2 3.04Å
559	A	76.2	Confident	71.2	Confident	28 Å²	28	46 Å²	46	23%	0.231	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.3	-174.1	0	0	0	0	0	109.5	V525 I569 S571	V525-A559 HydrophobicContact CG1-CB 3.74Å; A559-I569 HydrophobicContact CB-CB 4.32Å; A559-I569 HydrophobicContact CB-CG2 3.67Å; A559-S571 PolarHBondContact N-OG 3.36Å
560	R	73.2	Confident	71.3	Confident	164 Å²	164	45.7 Å²	45.7	62%	0.619	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.9	177.2	-172.9	-176.4	-167.8	176.8	3.6	108.7	E526	E526-R560 HydrophobicContact CB-CB 4.31Å; E526-R560 PolarHBondContact N-O 2.97Å; E526-R560 PolarHBondContact O-N 2.83Å
561	S	66	Low	71.8	Confident	20 Å²	20	42.9 Å²	42.9	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.5	173	173.8	0	0	0	0	110.7	W563 Y564	S561-W563 PolarHBondContact O-N 3.4Å; S561-W563 PolarHBondContact OG-N 2.96Å; S561-W563 PolarHBondContact OG-NE1 2.7Å; S561-W563 VanDerWaalsContact OG-NE1 3.16Å; S561-Y564 WeakPolarHBondContact CB-O 3.48Å; S561-Y564 PolarHBondContact OG-N 2.88Å
562	S	57.7	Low	71.9	Confident	55 Å²	55	40.4 Å²	40.4	39%	0.385	23%	0.227	S	C	.	.	S	Bend	trans	-74.1	-7.5	174	51.7	0	0	0	0	113.9	R524	R524-S562 PolarHBondContact O-N 2.96Å; R524-S562 PolarHBondContact O-OG 3.4Å; R524-S562 VanDerWaalsContact O-OG 3.12Å
563	W	48.3	Very low	72	Confident	76 Å²	76	37.4 Å²	37.4	29%	0.288	21%	0.208	S	C	.	.	S	Bend	trans	-134	-4.4	-172.8	57.6	-88.7	0	0	0	114.1	P517 P523 S561 L656 I659	P517-W563 HydrophobicContact CG-CB 4.41Å; P523-W563 HydrophobicContact CB-CG 4.36Å; P523-W563 PolarHBondContact O-NE1 3.13Å; S561-W563 PolarHBondContact O-N 3.4Å; S561-W563 PolarHBondContact OG-N 2.96Å; S561-W563 PolarHBondContact OG-NE1 2.7Å; S561-W563 VanDerWaalsContact OG-NE1 3.16Å; W563-L656 HydrophobicContact CH2-CD2 3.52Å; W563-L656 HydrophobicContact CZ3-CD2 3.68Å; W563-I659 HydrophobicContact CH2-CD1 4.28Å; W563-I659 HydrophobicContact CZ2-CD1 4.26Å
564	Y	55.5	Low	71.7	Confident	51 Å²	51	39.1 Å²	39.1	20%	0.2	22%	0.217	C	C	.	.			trans	-141.2	113.6	179.2	-175.5	-100.1	0	0	0	111	S561 G566 N568 I569 L656	S561-Y564 WeakPolarHBondContact CB-O 3.48Å; S561-Y564 PolarHBondContact OG-N 2.88Å; Y564-G566 WeakPolarHBondContact CD1-O 3.48Å; Y564-G566 WeakPolarHBondContact CE1-O 3.33Å; Y564-N568 HydrophobicContact CE1-CB 4.49Å; Y564-N568 PolarHBondContact OH-ND2 3.37Å; Y564-I569 HydrophobicContact CD1-CD1 3.47Å; Y564-I569 VanDerWaalsContact CD1-CD1 3.47Å; Y564-I569 HydrophobicContact CD1-CG1 3.75Å; Y564-I569 HydrophobicContact CE1-CD1 4.22Å; Y564-I569 HydrophobicContact CE1-CG1 3.99Å; Y564-I569 HydrophobicContact CG-CD1 4.11Å; Y564-L656 HydrophobicContact CD1-CD1 4.43Å; Y564-L656 HydrophobicContact CD1-CD2 4.07Å; Y564-L656 HydrophobicContact CD2-CD2 3.8Å; Y564-L656 HydrophobicContact CE1-CD1 3.89Å; Y564-L656 HydrophobicContact CE1-CD2 4.19Å; Y564-L656 HydrophobicContact CE1-CG 4.47Å; Y564-L656 HydrophobicContact CE2-CD2 3.97Å; Y564-L656 HydrophobicContact CE2-CG 4.34Å; Y564-L656 HydrophobicContact CG-CD2 3.85Å
565	S	53.4	Low	71.2	Confident	131 Å²	131	39 Å²	39	92%	0.916	22%	0.217	S	C	*	.			trans	-86.2	-4.1	179.9	50.2	0	0	0	0	114.3
566	G	56.2	Low	71	Confident	28 Å²	28	39 Å²	39	29%	0.289	22%	0.217	S	C	.	.			trans	-76.1	144	-176.1	0	0	0	0	0	113.6	Y564 N568	Y564-G566 WeakPolarHBondContact CD1-O 3.48Å; Y564-G566 WeakPolarHBondContact CE1-O 3.33Å; G566-N568 PolarHBondContact O-N 3.49Å; G566-N568 VanDerWaalsContact O-N 3.07Å
567	S	59.3	Low	70.8	Confident	94 Å²	94	39.5 Å²	39.5	66%	0.657	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-1	-178.5	53.4	0	0	0	0	115.8	I569	S567-I569 VanDerWaalsContact C-N 3.29Å; S567-I569 PolarHBondContact O-N 3.08Å
568	N	69	Low	70.5	Confident	30 Å²	30	39.5 Å²	39.5	16%	0.16	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.7	-176	-57.1	-70.2	0	0	0	114.3	Y564 G566 H570 S649	Y564-N568 HydrophobicContact CE1-CB 4.49Å; Y564-N568 PolarHBondContact OH-ND2 3.37Å; G566-N568 PolarHBondContact O-N 3.49Å; G566-N568 VanDerWaalsContact O-N 3.07Å; N568-H570 PolarHBondContact O-CD2 2.8Å; N568-H570 PolarHBondContact O-NE2 3.5Å; N568-S649 VanDerWaalsContact O-CA 3.28Å; N568-S649 WeakPolarHBondContact O-CA 3.4Å; N568-S649 WeakPolarHBondContact O-CB 3.44Å; N568-S649 PolarHBondContact O-OG 2.94Å
569	I	71.4	Confident	70	Confident	13 Å²	13	37.3 Å²	37.3	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.7	173.3	-53.9	176.7	0	0	0	108.8	V525 A559 Y564 S567 P647 L656 I659	V525-I569 HydrophobicContact CG1-CG2 4.14Å; V525-I569 HydrophobicContact CG2-CD1 4.45Å; A559-I569 HydrophobicContact CB-CB 4.32Å; A559-I569 HydrophobicContact CB-CG2 3.67Å; Y564-I569 HydrophobicContact CD1-CD1 3.47Å; Y564-I569 VanDerWaalsContact CD1-CD1 3.47Å; Y564-I569 HydrophobicContact CD1-CG1 3.75Å; Y564-I569 HydrophobicContact CE1-CD1 4.22Å; Y564-I569 HydrophobicContact CE1-CG1 3.99Å; Y564-I569 HydrophobicContact CG-CD1 4.11Å; S567-I569 VanDerWaalsContact C-N 3.29Å; S567-I569 PolarHBondContact O-N 3.08Å; I569-P647 HydrophobicContact CG2-CB 3.97Å; I569-L656 HydrophobicContact CD1-CD1 4.4Å; I569-L656 HydrophobicContact CD1-CD2 4.2Å; I569-L656 HydrophobicContact CG1-CD1 3.78Å; I569-L656 HydrophobicContact CG1-CD2 4.47Å; I569-I659 HydrophobicContact CD1-CD1 3.55Å; I569-I659 HydrophobicContact CG1-CD1 3.81Å; I569-I659 HydrophobicContact CG2-CD1 4.21Å
570	H	77.6	Confident	69.5	Low	8 Å²	8	37.1 Å²	37.1	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.8	179.3	-50.9	-91.7	0	0	0	110.5	N568 S616 C648 L650	N568-H570 PolarHBondContact O-CD2 2.8Å; N568-H570 PolarHBondContact O-NE2 3.5Å; H570-S616 WeakPolarHBondContact CA-OG 3.48Å; H570-C648 PolarHBondContact N-O 2.95Å; H570-C648 PolarHBondContact O-N 3.43Å; H570-L650 WeakPolarHBondContact NE2-CD1 3.43Å
571	S	82.1	Confident	68.9	Low	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	110.2	171	-61.6	0	0	0	0	109.8	H527 G557 K558 A559 P573 S616	H527-S571 PolarHBondContact ND1-OG 3.39Å; G557-S571 VanDerWaalsContact C-CB 3.49Å; G557-S571 WeakPolarHBondContact O-CB 3.5Å; K558-S571 WeakPolarHBondContact CA-OG 3.44Å; K558-S571 PolarHBondContact N-OG 3.31Å; K558-S571 PolarHBondContact O-OG 2.8Å; A559-S571 PolarHBondContact N-OG 3.36Å; S571-P573 WeakPolarHBondContact O-CD 3.34Å; S571-S616 PolarHBondContact N-OG 3.09Å
572	Y	78.3	Confident	68.1	Low	5 Å²	5	34.6 Å²	34.6	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115	174	-168.4	-68.6	0	0	0	110	M574 G595 F645 F646 P663 F665	Y572-M574 HydrophobicContact CE1-SD 4.5Å; Y572-M574 PolarHBondContact O-N 3.46Å; Y572-G595 PolarHBondContact OH-O 3.21Å; Y572-F645 WeakPolarHBondContact O-CA 3.32Å; Y572-F646 HydrophobicContact CD1-CD1 4.08Å; Y572-F646 AromaticContact CD1-CE1 3.28Å; Y572-F646 HydrophobicContact CD1-CE1 3.28Å; Y572-F646 AromaticContact CD1-CZ 3.89Å; Y572-F646 HydrophobicContact CD1-CZ 3.89Å; Y572-F646 HydrophobicContact CD2-CE1 4.45Å; Y572-F646 HydrophobicContact CD2-CZ 4.26Å; Y572-F646 HydrophobicContact CE1-CE1 4.11Å; Y572-F646 HydrophobicContact CG-CD1 4.27Å; Y572-F646 AromaticContact CG-CE1 3.51Å; Y572-F646 HydrophobicContact CG-CE1 3.51Å; Y572-F646 AromaticContact CG-CZ 3.7Å; Y572-F646 HydrophobicContact CG-CZ 3.7Å; Y572-F646 PolarHBondContact N-O 3Å; Y572-F646 WeakPolarHBondContact O-CD1 3.31Å; Y572-F646 PolarHBondContact O-N 2.95Å; Y572-P663 HydrophobicContact CE2-CB 3.97Å; Y572-P663 HydrophobicContact CE2-CG 4.11Å; Y572-P663 WeakPolarHBondContact CE2-O 3.26Å; Y572-F665 AromaticContact CD1-CZ 3.98Å; Y572-F665 HydrophobicContact CD1-CZ 3.98Å; Y572-F665 HydrophobicContact CD2-CD2 4.41Å; Y572-F665 AromaticContact CD2-CE2 3.57Å; Y572-F665 HydrophobicContact CD2-CE2 3.57Å; Y572-F665 AromaticContact CD2-CZ 3.78Å; Y572-F665 HydrophobicContact CD2-CZ 3.78Å; Y572-F665 AromaticContact CE1-CE1 3.79Å; Y572-F665 HydrophobicContact CE1-CE1 3.79Å; Y572-F665 HydrophobicContact CE1-CE2 4.25Å; Y572-F665 AromaticContact CE1-CZ 3.59Å; Y572-F665 HydrophobicContact CE1-CZ 3.59Å; Y572-F665 HydrophobicContact CE2-CD1 4.45Å; Y572-F665 AromaticContact CE2-CD2 3.62Å; Y572-F665 HydrophobicContact CE2-CD2 3.62Å; Y572-F665 HydrophobicContact CE2-CE1 4.06Å; Y572-F665 AromaticContact CE2-CE2 3.14Å; Y572-F665 HydrophobicContact CE2-CE2 3.14Å; Y572-F665 HydrophobicContact CE2-CG 4.25Å; Y572-F665 AromaticContact CE2-CZ 3.39Å; Y572-F665 HydrophobicContact CE2-CZ 3.39Å; Y572-F665 HydrophobicContact CG-CE2 4.29Å; Y572-F665 HydrophobicContact CG-CZ 4.06Å; Y572-F665 AromaticContact CZ-CD1 3.93Å; Y572-F665 AromaticContact CZ-CD2 3.95Å; Y572-F665 AromaticContact CZ-CE1 3.5Å; Y572-F665 AromaticContact CZ-CE2 3.53Å; Y572-F665 AromaticContact CZ-CZ 3.28Å; Y572-F665 WeakPolarHBondContact OH-CD1 3.26Å; Y572-F665 WeakPolarHBondContact OH-CE1 3.45Å
573	P	80	Confident	67.3	Low	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	121.4	175.6	25.9	-34.8	0	0	0	111.6	S571 I592 P617 I619 F645 F665	S571-P573 WeakPolarHBondContact O-CD 3.34Å; P573-I592 HydrophobicContact CB-CD1 4.29Å; P573-I592 HydrophobicContact CG-CD1 4.14Å; P573-P617 HydrophobicContact CG-CG 4.29Å; P573-I619 HydrophobicContact CB-CD1 4.08Å; P573-I619 HydrophobicContact CG-CD1 4.09Å; P573-I619 HydrophobicContact CG-CG1 4.42Å; P573-F645 HydrophobicContact CB-CD1 4.02Å; P573-F645 HydrophobicContact CB-CE1 3.79Å; P573-F645 HydrophobicContact CG-CE1 4.42Å; P573-F665 HydrophobicContact CG-CE1 4.49Å; P573-F665 HydrophobicContact CG-CZ 4.09Å
574	M	74	Confident	66.8	Low	37 Å²	37	35.7 Å²	35.7	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-49.7	176.2	-82.9	-73.6	-81	0	0	112.3	Y572 K593 H594 G595 E644 F646 V681	Y572-M574 HydrophobicContact CE1-SD 4.5Å; Y572-M574 PolarHBondContact O-N 3.46Å; M574-K593 CarbonylContact O-C 3.54Å; M574-H594 CarbonylContact O-C 3.58Å; M574-H594 WeakPolarHBondContact O-CA 3.38Å; M574-H594 PolarHBondContact O-N 2.97Å; M574-G595 PolarHBondContact O-N 3.28Å; M574-E644 PolarHBondContact N-O 2.88Å; M574-F646 HydrophobicContact CG-CD1 3.36Å; M574-F646 HydrophobicContact CG-CE1 3.55Å; M574-F646 HydrophobicContact SD-CD1 4.15Å; M574-F646 HydrophobicContact SD-CE1 3.73Å; M574-V681 HydrophobicContact CE-CG2 4.5Å
575	N	75.9	Confident	66	Low	22 Å²	22	41.9 Å²	41.9	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128	175.3	-60.2	-59.5	0	0	0	107.5	W577 Y590 I592 K593 H594 C643 E644	N575-W577 HydrophobicContact CB-CE3 4.18Å; N575-W577 HydrophobicContact CB-CZ3 4Å; N575-Y590 HydrophobicContact CB-CD1 4.42Å; N575-Y590 HydrophobicContact CB-CE1 4.18Å; N575-I592 CarbonylContact C-O 3.52Å; N575-I592 WeakPolarHBondContact CA-O 3.02Å; N575-K593 WeakPolarHBondContact OD1-CA 3.46Å; N575-H594 PolarHBondContact OD1-N 3.31Å; N575-C643 CarbonylContact O-C 3.12Å; N575-C643 WeakPolarHBondContact O-CA 3.17Å; N575-E644 HydrophobicContact CB-CB 4.33Å; N575-E644 PolarHBondContact ND2-OE2 3.25Å; N575-E644 PolarHBondContact O-N 2.87Å
576	C	81.1	Confident	66.1	Low	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133	170.9	-64.5	0	0	0	0	109.4	Y590 F591 I592 S642 C643	C576-Y590 WeakPolarHBondContact O-CA 3.2Å; C576-F591 HydrophobicContact CB-CD1 4.47Å; C576-F591 HydrophobicContact CB-CD2 4.04Å; C576-F591 HydrophobicContact CB-CE1 3.93Å; C576-F591 HydrophobicContact CB-CE2 3.44Å; C576-F591 VanDerWaalsContact CB-CE2 3.44Å; C576-F591 HydrophobicContact CB-CZ 3.38Å; C576-F591 PolarHBondContact O-N 2.88Å; C576-I592 HydrophobicContact CB-CB 4.04Å; C576-I592 PolarHBondContact N-O 3.33Å; C576-I592 PolarHBondContact O-N 2.98Å; C576-I592 VanDerWaalsContact O-O 3.1Å; C576-S642 CarbonylContact C-O 3.57Å; C576-S642 VanDerWaalsContact CA-O 3.23Å; C576-S642 WeakPolarHBondContact CA-O 3.32Å; C576-C643 HydrophobicContact CB-CB 4.14Å; C576-C643 WeakPolarHBondContact CB-SG 3.5Å; C576-C643 WeakPolarHBondContact SG-CB 3.24Å; C576-C643 CovalentContact SG-SG 2.04Å; C576-C643 PolarHBondContact SG-SG 3.5Å
577	W	81.6	Confident	66.3	Low	9 Å²	9	46.5 Å²	46.5	3%	0.034	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.5	-176	66.2	89.3	0	0	0	111.9	N575 N579 R588 I589 Y590 S642 E644 V689	N575-W577 HydrophobicContact CB-CE3 4.18Å; N575-W577 HydrophobicContact CB-CZ3 4Å; W577-N579 PolarHBondContact NE1-OD1 2.75Å; W577-N579 VanDerWaalsContact NE1-OD1 3.13Å; W577-R588 HydrophobicContact CB-CB 4.46Å; W577-R588 HydrophobicContact CG-CB 4.25Å; W577-I589 CarbonylContact C-O 3.6Å; W577-I589 WeakPolarHBondContact CA-O 3.48Å; W577-I589 WeakPolarHBondContact CB-O 3.26Å; W577-Y590 HydrophobicContact CB-CD1 3.84Å; W577-Y590 HydrophobicContact CB-CD2 4.36Å; W577-Y590 HydrophobicContact CB-CE1 4.1Å; W577-Y590 HydrophobicContact CB-CG 3.97Å; W577-Y590 HydrophobicContact CD2-CE1 4.02Å; W577-Y590 HydrophobicContact CE3-CD1 4.12Å; W577-Y590 AromaticContact CE3-CE1 3.56Å; W577-Y590 HydrophobicContact CE3-CE1 3.56Å; W577-Y590 HydrophobicContact CG-CD1 4.48Å; W577-Y590 HydrophobicContact CG-CE1 4.27Å; W577-Y590 HydrophobicContact CZ3-CE1 4.32Å; W577-S642 PolarHBondContact N-O 2.82Å; W577-S642 PolarHBondContact O-N 3.01Å; W577-E644 HydrophobicContact CH2-CG 4.02Å; W577-E644 HydrophobicContact CZ3-CG 3.9Å; W577-V689 HydrophobicContact CH2-CG1 4.23Å; W577-V689 HydrophobicContact CH2-CG2 4.45Å; W577-V689 HydrophobicContact CZ2-CG1 4.34Å
578	I	79.5	Confident	66.9	Low	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.1	170.7	-87.4	158.6	0	0	0	108.9	R588 I589 F591 L621 L627 L639 I641	I578-R588 WeakPolarHBondContact O-CA 3.26Å; I578-I589 HydrophobicContact CB-CB 4.33Å; I578-I589 PolarHBondContact N-O 3.5Å; I578-I589 PolarHBondContact O-N 3Å; I578-F591 HydrophobicContact CG1-CE1 4.32Å; I578-L621 HydrophobicContact CD1-CD2 3.89Å; I578-L627 HydrophobicContact CD1-CD1 4.2Å; I578-L627 HydrophobicContact CD1-CD2 3.64Å; I578-L627 HydrophobicContact CD1-CG 3.99Å; I578-L639 HydrophobicContact CB-CD1 4.35Å; I578-L639 HydrophobicContact CD1-CD1 4.02Å; I578-L639 HydrophobicContact CD1-CD2 4.05Å; I578-L639 HydrophobicContact CD1-CG 4.36Å; I578-L639 HydrophobicContact CG1-CD1 4.04Å; I578-L639 HydrophobicContact CG1-CD2 4.06Å; I578-L639 HydrophobicContact CG1-CG 4.08Å; I578-L639 HydrophobicContact CG2-CD1 3.4Å; I578-L639 VanDerWaalsContact CG2-CD1 3.4Å; I578-L639 HydrophobicContact CG2-CG 4.03Å; I578-I641 HydrophobicContact CG1-CG1 4.03Å
579	N	73.9	Confident	67.2	Low	11 Å²	11	47.4 Å²	47.4	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.1	154.7	-66.9	17.2	0	0	0	107.6	W577 E586 T640	W577-N579 PolarHBondContact NE1-OD1 2.75Å; W577-N579 VanDerWaalsContact NE1-OD1 3.13Å; N579-E586 PolarHBondContact ND2-OE1 3.1Å; N579-E586 PolarHBondContact ND2-OE2 2.75Å; N579-T640 PolarHBondContact N-O 2.93Å; N579-T640 PolarHBondContact O-N 3.43Å
580	Q	66.1	Low	67.2	Low	24 Å²	24	50.5 Å²	50.5	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.3	165.2	-166.8	-178.6	0.8	0	0	107.3	S582	Q580-S582 VanDerWaalsContact C-N 3.31Å; Q580-S582 WeakPolarHBondContact CG-OG 3.19Å; Q580-S582 PolarHBondContact NE2-OG 2.9Å; Q580-S582 PolarHBondContact O-N 3.35Å
581	E	59.6	Low	67.2	Low	78 Å²	78	50.1 Å²	50.1	36%	0.364	27%	0.273	S	S	.	.			trans	-86.9	0.8	-171.9	-62.7	-179.1	161.7	0	0	113.3	S638 T640 R693	E581-S638 PolarHBondContact N-O 2.95Å; E581-S638 VanDerWaalsContact OE2-CB 3.28Å; E581-S638 WeakPolarHBondContact OE2-CB 3.41Å; E581-S638 PolarHBondContact OE2-OG 3.49Å; E581-T640 PolarHBondContact OE1-OG1 2.94Å; E581-R693 IonicContact OE1-CZ 3Å; E581-R693 VanDerWaalsContact OE1-CZ 3.24Å; E581-R693 IonicContact OE1-NE 3.77Å; E581-R693 PolarHBondContact OE1-NE 3.4Å; E581-R693 IonicContact OE1-NH2 3.56Å; E581-R693 PolarHBondContact OE1-NH2 3.34Å; E581-R693 IonicContact OE2-CZ 3.28Å; E581-R693 IonicContact OE2-NE 3.46Å; E581-R693 IonicContact OE2-NH2 3.24Å; E581-R693 PolarHBondContact OE2-NH2 3.01Å
582	S	50	Low	66.9	Low	53 Å²	53	50.1 Å²	50.1	37%	0.371	27%	0.273	S	S	.	.	S	Bend	trans	-89.9	112.2	179.6	59.8	0	0	0	0	112.9	Q580	Q580-S582 VanDerWaalsContact C-N 3.31Å; Q580-S582 WeakPolarHBondContact CG-OG 3.19Å; Q580-S582 PolarHBondContact NE2-OG 2.9Å; Q580-S582 PolarHBondContact O-N 3.35Å
583	G	41	Very low	66.5	Low	68 Å²	68	54.5 Å²	54.5	70%	0.701	29%	0.292	S	S	*	.	S	Bend	trans	101.5	51.1	159.4	0	0	0	0	0	117.4	F585	G583-F585 PolarHBondContact O-N 2.91Å
584	G	37.6	Very low	65.9	Low	86 Å²	86	60.7 Å²	60.7	89%	0.887	32%	0.321	S	S	*	.	S	Bend	trans	73.5	-20	157.9	0	0	0	0	0	118.2
585	F	39	Very low	65.4	Low	182 Å²	182	59 Å²	59	80%	0.798	31%	0.313	S	S	*	.			trans	-125.6	115.6	-179.6	-69.5	-89.8	0	0	0	111.2	G583 Q587	G583-F585 PolarHBondContact O-N 2.91Å; F585-Q587 VanDerWaalsContact C-N 3.29Å; F585-Q587 PolarHBondContact O-N 3.18Å
586	E	54.6	Low	64.9	Low	123 Å²	123	59.8 Å²	59.8	58%	0.575	32%	0.319	S	S	*	.			trans	-68.7	79.3	172.2	-73.5	-153.4	138.8	0	0	111.8	N579 R588	N579-E586 PolarHBondContact ND2-OE1 3.1Å; N579-E586 PolarHBondContact ND2-OE2 2.75Å; E586-R588 PolarHBondContact O-N 3.32Å; E586-R588 VanDerWaalsContact O-N 3.08Å; E586-R588 IonicContact OE2-NH2 3.62Å
587	Q	60.9	Low	64.3	Low	133 Å²	133	62.1 Å²	62.1	62%	0.621	33%	0.334	S	S	*	.			trans	-74.9	101.4	173.6	-168.2	170.3	11.4	0	0	110.4	F585 I589	F585-Q587 VanDerWaalsContact C-N 3.29Å; F585-Q587 PolarHBondContact O-N 3.18Å; Q587-I589 PolarHBondContact O-N 3.1Å; Q587-I589 VanDerWaalsContact O-N 3.13Å
588	R	72.3	Confident	63.5	Low	117 Å²	117	62.3 Å²	62.3	44%	0.442	34%	0.338	S	S	.	.			trans	-72.6	101.2	178.1	-60.5	-167.5	-178.6	-170.9	-0.1	111.6	W577 I578 E586 Y590	W577-R588 HydrophobicContact CB-CB 4.46Å; W577-R588 HydrophobicContact CG-CB 4.25Å; I578-R588 WeakPolarHBondContact O-CA 3.26Å; E586-R588 PolarHBondContact O-N 3.32Å; E586-R588 VanDerWaalsContact O-N 3.08Å; E586-R588 IonicContact OE2-NH2 3.62Å; R588-Y590 HydrophobicContact CB-CD2 4.33Å; R588-Y590 HydrophobicContact CB-CE2 3.76Å; R588-Y590 VanDerWaalsContact O-CD2 3.31Å; R588-Y590 WeakPolarHBondContact O-CD2 2.95Å; R588-Y590 PolarHBondContact O-N 3.09Å
589	I	73.5	Confident	62.2	Low	26 Å²	26	67 Å²	67	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	95.1	178.4	-57.3	177.6	0	0	0	108.9	W577 I578 Q587 F591 L627	W577-I589 CarbonylContact C-O 3.6Å; W577-I589 WeakPolarHBondContact CA-O 3.48Å; W577-I589 WeakPolarHBondContact CB-O 3.26Å; I578-I589 HydrophobicContact CB-CB 4.33Å; I578-I589 PolarHBondContact N-O 3.5Å; I578-I589 PolarHBondContact O-N 3Å; Q587-I589 PolarHBondContact O-N 3.1Å; Q587-I589 VanDerWaalsContact O-N 3.13Å; I589-F591 PolarHBondContact O-N 2.81Å; I589-L627 VanDerWaalsContact CD1-O 3.24Å; I589-L627 WeakPolarHBondContact CD1-O 3.09Å; I589-L627 HydrophobicContact CG2-CD1 3.99Å
590	Y	73	Confident	61	Low	77 Å²	77	72.4 Å²	72.4	30%	0.302	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.9	178.4	-69.7	-94.3	0	0	0	111.5	N575 C576 W577 R588 A598	N575-Y590 HydrophobicContact CB-CD1 4.42Å; N575-Y590 HydrophobicContact CB-CE1 4.18Å; C576-Y590 WeakPolarHBondContact O-CA 3.2Å; W577-Y590 HydrophobicContact CB-CD1 3.84Å; W577-Y590 HydrophobicContact CB-CD2 4.36Å; W577-Y590 HydrophobicContact CB-CE1 4.1Å; W577-Y590 HydrophobicContact CB-CG 3.97Å; W577-Y590 HydrophobicContact CD2-CE1 4.02Å; W577-Y590 HydrophobicContact CE3-CD1 4.12Å; W577-Y590 AromaticContact CE3-CE1 3.56Å; W577-Y590 HydrophobicContact CE3-CE1 3.56Å; W577-Y590 HydrophobicContact CG-CD1 4.48Å; W577-Y590 HydrophobicContact CG-CE1 4.27Å; W577-Y590 HydrophobicContact CZ3-CE1 4.32Å; R588-Y590 HydrophobicContact CB-CD2 4.33Å; R588-Y590 HydrophobicContact CB-CE2 3.76Å; R588-Y590 VanDerWaalsContact O-CD2 3.31Å; R588-Y590 WeakPolarHBondContact O-CD2 2.95Å; R588-Y590 PolarHBondContact O-N 3.09Å; Y590-A598 WeakPolarHBondContact O-CB 3.35Å
591	F	77.3	Confident	60.2	Low	1 Å²	1	72.5 Å²	72.5	0%	0.004	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-25.5	170.1	58.8	-90	0	0	0	112.6	I555 C576 I578 I589 P597 A598 T601 C607 I619 L621 I641	I555-F591 HydrophobicContact CD1-CE2 3.88Å; I555-F591 HydrophobicContact CD1-CZ 3.74Å; C576-F591 HydrophobicContact CB-CD1 4.47Å; C576-F591 HydrophobicContact CB-CD2 4.04Å; C576-F591 HydrophobicContact CB-CE1 3.93Å; C576-F591 HydrophobicContact CB-CE2 3.44Å; C576-F591 VanDerWaalsContact CB-CE2 3.44Å; C576-F591 HydrophobicContact CB-CZ 3.38Å; C576-F591 PolarHBondContact O-N 2.88Å; I578-F591 HydrophobicContact CG1-CE1 4.32Å; I589-F591 PolarHBondContact O-N 2.81Å; F591-P597 WeakPolarHBondContact O-CA 3.36Å; F591-A598 PolarHBondContact O-N 3.01Å; F591-T601 HydrophobicContact CB-CG2 4.4Å; F591-C607 HydrophobicContact CB-CB 4.44Å; F591-C607 PolarHBondContact O-SG 3.5Å; F591-I619 HydrophobicContact CD2-CG2 4.09Å; F591-I619 HydrophobicContact CE2-CD1 4.24Å; F591-I619 HydrophobicContact CE2-CG2 3.98Å; F591-L621 HydrophobicContact CB-CD1 4Å; F591-L621 HydrophobicContact CD1-CD1 4.35Å; F591-L621 HydrophobicContact CD1-CD2 4.12Å; F591-L621 HydrophobicContact CD2-CD1 4.21Å; F591-L621 HydrophobicContact CD2-CD2 4.48Å; F591-L621 HydrophobicContact CE1-CD2 3.95Å; F591-L621 HydrophobicContact CE2-CD2 4.32Å; F591-L621 HydrophobicContact CG-CD1 3.96Å; F591-L621 HydrophobicContact CG-CD2 4.37Å; F591-L621 HydrophobicContact CZ-CD2 4.05Å; F591-I641 HydrophobicContact CE1-CG2 4.16Å; F591-I641 HydrophobicContact CZ-CG2 3.9Å
592	I	76	Confident	59.2	Low	0 Å²	0	80.6 Å²	80.6	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.6	161.4	-66.1	-172.2	0	0	0	109.4	P573 N575 C576 C596 V609 I619	P573-I592 HydrophobicContact CB-CD1 4.29Å; P573-I592 HydrophobicContact CG-CD1 4.14Å; N575-I592 CarbonylContact C-O 3.52Å; N575-I592 WeakPolarHBondContact CA-O 3.02Å; C576-I592 HydrophobicContact CB-CB 4.04Å; C576-I592 PolarHBondContact N-O 3.33Å; C576-I592 PolarHBondContact O-N 2.98Å; C576-I592 VanDerWaalsContact O-O 3.1Å; I592-C596 CarbonylContact C-O 3.51Å; I592-C596 VanDerWaalsContact CA-O 3.3Å; I592-C596 WeakPolarHBondContact CA-O 3.35Å; I592-V609 HydrophobicContact CD1-CG2 4.09Å; I592-I619 HydrophobicContact CD1-CB 4.46Å; I592-I619 HydrophobicContact CD1-CD1 3.57Å; I592-I619 HydrophobicContact CD1-CG1 3.71Å; I592-I619 HydrophobicContact CD1-CG2 3.9Å; I592-I619 HydrophobicContact CG1-CG2 4.41Å
593	K	70.4	Confident	58.6	Low	97 Å²	97	79.9 Å²	79.9	42%	0.422	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	130.9	177	-168.5	170.5	-177.6	171.3	0	111	M574 N575 G595 C596 A598	M574-K593 CarbonylContact O-C 3.54Å; N575-K593 WeakPolarHBondContact OD1-CA 3.46Å; K593-G595 PolarHBondContact O-N 3.45Å; K593-C596 PolarHBondContact N-O 2.89Å; K593-C596 PolarHBondContact O-N 2.87Å; K593-A598 HydrophobicContact CB-CB 4.4Å
594	H	66.1	Low	58.8	Low	130 Å²	130	81.7 Å²	81.7	60%	0.602	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	36.5	-175.4	-49.5	-48.2	0	0	0	114.8	M574 N575	M574-H594 CarbonylContact O-C 3.58Å; M574-H594 WeakPolarHBondContact O-CA 3.38Å; M574-H594 PolarHBondContact O-N 2.97Å; N575-H594 PolarHBondContact OD1-N 3.31Å
595	G	64.6	Low	59.3	Low	2 Å²	2	78 Å²	78	2%	0.021	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	5.8	178.9	0	0	0	0	0	115.5	Y572 M574 K593 F665 C668	Y572-G595 PolarHBondContact OH-O 3.21Å; M574-G595 PolarHBondContact O-N 3.28Å; K593-G595 PolarHBondContact O-N 3.45Å; G595-F665 VanDerWaalsContact O-CD1 3.27Å; G595-F665 WeakPolarHBondContact O-CD1 3.36Å; G595-F665 VanDerWaalsContact O-CE1 3.26Å; G595-F665 WeakPolarHBondContact O-CE1 3.48Å; G595-C668 PolarHBondContact O-SG 3.5Å; G595-C668 VanDerWaalsContact O-SG 3.32Å
596	C	64	Low	60.1	Low	37 Å²	37	74 Å²	74	25%	0.25	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.2	-177.2	-62.5	0	0	0	0	111.9	I592 K593 A598 C668	I592-C596 CarbonylContact C-O 3.51Å; I592-C596 VanDerWaalsContact CA-O 3.3Å; I592-C596 WeakPolarHBondContact CA-O 3.35Å; K593-C596 PolarHBondContact N-O 2.89Å; K593-C596 PolarHBondContact O-N 2.87Å; C596-A598 PolarHBondContact O-N 2.89Å; C596-C668 WeakPolarHBondContact CA-SG 3.44Å; C596-C668 HydrophobicContact CB-CB 3.44Å; C596-C668 VanDerWaalsContact CB-CB 3.44Å; C596-C668 WeakPolarHBondContact CB-SG 3.44Å; C596-C668 WeakPolarHBondContact SG-CB 3.46Å; C596-C668 CovalentContact SG-SG 2.03Å; C596-C668 PolarHBondContact SG-SG 3.28Å
597	P	69.6	Low	60.6	Low	49 Å²	49	68.8 Å²	68.8	32%	0.318	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	131.2	164.1	-23.7	34.6	0	0	0	110.1	F591 S599 V609	F591-P597 WeakPolarHBondContact O-CA 3.36Å; P597-S599 PolarHBondContact O-N 2.87Å; P597-V609 HydrophobicContact CG-CG2 4.14Å
598	A	64.2	Low	61	Low	13 Å²	13	69.4 Å²	69.4	11%	0.107	34%	0.339	C	S	.	.			trans	-69.7	127.8	-173.8	0	0	0	0	0	110.7	Y590 F591 K593 C596 N600 T601	Y590-A598 WeakPolarHBondContact O-CB 3.35Å; F591-A598 PolarHBondContact O-N 3.01Å; K593-A598 HydrophobicContact CB-CB 4.4Å; C596-A598 PolarHBondContact O-N 2.89Å; A598-N600 PolarHBondContact O-N 3.08Å; A598-T601 HydrophobicContact CB-CG2 4.32Å; A598-T601 WeakPolarHBondContact O-CG2 3.38Å; A598-T601 PolarHBondContact O-N 3.4Å; A598-T601 PolarHBondContact O-OG1 3.48Å
599	S	53.1	Low	60.9	Low	101 Å²	101	65.3 Å²	65.3	71%	0.706	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-56.1	-25.3	-172.3	54.3	0	0	0	0	115.2	P597 T601	P597-S599 PolarHBondContact O-N 2.87Å; S599-T601 VanDerWaalsContact C-N 3.27Å; S599-T601 PolarHBondContact O-N 3.45Å
600	N	47.7	Very low	60.8	Low	123 Å²	123	66.8 Å²	66.8	66%	0.658	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-72.5	-15.4	177.7	-72.9	24.7	0	0	0	113.3	A598 R602 G603 Y604	A598-N600 PolarHBondContact O-N 3.08Å; N600-R602 PolarHBondContact O-N 3.39Å; N600-G603 PolarHBondContact O-N 3.4Å; N600-Y604 VanDerWaalsContact O-CD2 3.29Å; N600-Y604 WeakPolarHBondContact O-CD2 3.36Å
601	T	48.7	Very low	60.6	Low	26 Å²	26	67.2 Å²	67.2	16%	0.16	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.1	-8.4	-179.9	63.6	0	0	0	0	113.9	F591 A598 S599 G603 Y604 G605 C607	F591-T601 HydrophobicContact CB-CG2 4.4Å; A598-T601 HydrophobicContact CB-CG2 4.32Å; A598-T601 WeakPolarHBondContact O-CG2 3.38Å; A598-T601 PolarHBondContact O-N 3.4Å; A598-T601 PolarHBondContact O-OG1 3.48Å; S599-T601 VanDerWaalsContact C-N 3.27Å; S599-T601 PolarHBondContact O-N 3.45Å; T601-G603 PolarHBondContact O-N 3.33Å; T601-Y604 PolarHBondContact O-N 3.1Å; T601-G605 PolarHBondContact O-N 2.7Å; T601-C607 HydrophobicContact CG2-CB 4.26Å
602	R	39.5	Very low	60	Low	249 Å²	249	70.7 Å²	70.7	94%	0.94	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-53.6	-19	168.8	-76.8	-172.2	169.4	-167.1	-4.4	114.4	N600	N600-R602 PolarHBondContact O-N 3.39Å
603	G	36.9	Very low	59.3	Low	37 Å²	37	77.4 Å²	77.4	38%	0.381	39%	0.388	S	S	.	.	S	Bend	trans	-106.4	-17	167.1	0	0	0	0	0	115.7	N600 T601 N626	N600-G603 PolarHBondContact O-N 3.4Å; T601-G603 PolarHBondContact O-N 3.33Å; G603-N626 WeakPolarHBondContact O-CB 3.24Å; G603-N626 PolarHBondContact O-ND2 3.06Å
604	Y	45.2	Very low	59.1	Low	107 Å²	107	78.4 Å²	78.4	42%	0.42	40%	0.398	S	S	.	.	S	Bend	trans	-115.3	26.7	-160.3	-63.8	-109.5	0	0	0	113.5	N600 T601 N626	N600-Y604 VanDerWaalsContact O-CD2 3.29Å; N600-Y604 WeakPolarHBondContact O-CD2 3.36Å; T601-Y604 PolarHBondContact O-N 3.1Å; Y604-N626 WeakPolarHBondContact CD1-O 3.32Å; Y604-N626 WeakPolarHBondContact CE1-O 3.47Å
605	G	48.2	Very low	59.5	Low	9 Å²	9	74.8 Å²	74.8	9%	0.093	38%	0.383	C	S	.	.			trans	92.6	152.4	-179.6	0	0	0	0	0	115.1	T601 C607 N624	T601-G605 PolarHBondContact O-N 2.7Å; G605-C607 PolarHBondContact O-N 3.42Å; G605-N624 WeakPolarHBondContact CA-ND2 3.34Å
606	L	55.5	Low	60.1	Low	98 Å²	98	74.8 Å²	74.8	51%	0.513	38%	0.383	S	S	.	.			trans	-79.6	81.1	-170.4	-76.1	160.8	0	0	0	112.7	R608 E622	L606-R608 HydrophobicContact CB-CG 4.46Å; L606-R608 PolarHBondContact O-N 3.12Å; L606-R608 VanDerWaalsContact O-N 3.09Å; L606-E622 WeakPolarHBondContact CB-OE2 3.33Å; L606-E622 PolarHBondContact N-OE2 2.96Å
607	C	65.4	Low	60.8	Low	13 Å²	13	73.6 Å²	73.6	9%	0.088	38%	0.375	C	S	.	.			trans	-58.9	111.7	163.7	-175	0	0	0	0	110.4	F591 T601 G605 G620	F591-C607 HydrophobicContact CB-CB 4.44Å; F591-C607 PolarHBondContact O-SG 3.5Å; T601-C607 HydrophobicContact CG2-CB 4.26Å; G605-C607 PolarHBondContact O-N 3.42Å; C607-G620 WeakPolarHBondContact CA-O 3.28Å
608	R	70.2	Confident	61.5	Low	146 Å²	146	71.7 Å²	71.7	55%	0.551	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	121	-177.5	-74.5	175.3	172.1	170.4	-1.9	110.5	L606 G620	L606-R608 HydrophobicContact CB-CG 4.46Å; L606-R608 PolarHBondContact O-N 3.12Å; L606-R608 VanDerWaalsContact O-N 3.09Å; R608-G620 PolarHBondContact N-O 2.86Å; R608-G620 PolarHBondContact O-N 2.86Å
609	V	70.3	Confident	62.4	Low	31 Å²	31	71.1 Å²	71.1	19%	0.188	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.1	175.5	-167.2	0	0	0	0	109.6	I592 P597 H611 P617 K618 F665	I592-V609 HydrophobicContact CD1-CG2 4.09Å; P597-V609 HydrophobicContact CG-CG2 4.14Å; V609-H611 VanDerWaalsContact CG1-CE1 3.49Å; V609-H611 WeakPolarHBondContact CG1-CE1 3.43Å; V609-P617 HydrophobicContact CG1-CB 3.8Å; V609-K618 CarbonylContact C-O 3.58Å; V609-F665 HydrophobicContact CG1-CD1 4.3Å; V609-F665 HydrophobicContact CG1-CE1 4.2Å; V609-F665 HydrophobicContact CG1-CZ 4.37Å
610	H	71.7	Confident	63.8	Low	56 Å²	56	66.3 Å²	66.3	26%	0.259	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127	178	-64.4	-74.1	0	0	0	109.8	F554 F612 P617 K618	F554-H610 AromaticContact CE1-CD2 3.76Å; F554-H610 AromaticContact CE1-NE2 3.75Å; H610-F612 HydrophobicContact CB-CE2 4.13Å; H610-F612 HydrophobicContact CB-CZ 4.39Å; H610-P617 WeakPolarHBondContact O-CA 3.43Å; H610-K618 HydrophobicContact CB-CB 4.44Å; H610-K618 PolarHBondContact N-O 3.18Å; H610-K618 PolarHBondContact O-N 3.49Å
611	H	68.4	Low	65.5	Low	87 Å²	87	60.5 Å²	60.5	40%	0.403	29%	0.292	S	S	.	.			trans	-101.2	146.5	-179	-53.7	-38.1	0	0	0	111.4	V609 F665	V609-H611 VanDerWaalsContact CG1-CE1 3.49Å; V609-H611 WeakPolarHBondContact CG1-CE1 3.43Å; H611-F665 VanDerWaalsContact CE1-CB 3.48Å; H611-F665 WeakPolarHBondContact CE1-CB 3.46Å; H611-F665 AromaticContact CE1-CD2 3.27Å; H611-F665 WeakPolarHBondContact CE1-CD2 3.17Å; H611-F665 AromaticContact CE1-CG 3.43Å; H611-F665 VanDerWaalsContact CE1-CG 3.43Å; H611-F665 WeakPolarHBondContact CE1-CG 3.33Å; H611-F665 AromaticContact ND1-CD2 3.91Å; H611-F665 WeakPolarHBondContact NE2-CB 3.41Å; H611-F665 AromaticContact NE2-CD2 3.99Å; H611-F665 AromaticContact NE2-CG 3.93Å
612	F	65.1	Low	66.8	Low	74 Å²	74	61.8 Å²	61.8	33%	0.325	30%	0.296	S	S	.	.			trans	-130.5	141.2	173.5	-58.7	-85.5	0	0	0	106.9	K535 H610 D614 D615 K618	K535-F612 VanDerWaalsContact O-CZ 3.3Å; K535-F612 WeakPolarHBondContact O-CZ 3.14Å; H610-F612 HydrophobicContact CB-CE2 4.13Å; H610-F612 HydrophobicContact CB-CZ 4.39Å; F612-D614 PolarHBondContact O-N 2.82Å; F612-D615 HydrophobicContact CB-CB 4.28Å; F612-K618 HydrophobicContact CD2-CG 4.45Å; F612-K618 HydrophobicContact CE2-CB 4.07Å; F612-K618 HydrophobicContact CE2-CD 3.85Å; F612-K618 HydrophobicContact CE2-CG 3.77Å; F612-K618 HydrophobicContact CZ-CD 4.24Å
613	N	60.5	Low	68.6	Low	140 Å²	140	49.9 Å²	49.9	75%	0.749	25%	0.251	S	S	*	.	S	Bend	trans	-70.3	-20.2	-173.8	-68.7	-17.9	0	0	0	113.2	L650	N613-L650 WeakPolarHBondContact O-CD1 3.44Å
614	D	66.8	Low	70.2	Confident	119 Å²	119	49.3 Å²	49.3	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-127.1	6.7	-169	-48.7	-74.6	0	0	0	113.2	F612	F612-D614 PolarHBondContact O-N 2.82Å
615	D	73	Confident	71.1	Confident	53 Å²	53	50.6 Å²	50.6	28%	0.283	24%	0.243	S	C	.	.	S	Bend	trans	-146	164.3	179.7	-163	2.5	0	0	0	110.7	Q556 K558 F612	Q556-D615 PolarHBondContact NE2-OD1 3.06Å; Q556-D615 PolarHBondContact NE2-OD2 2.78Å; K558-D615 WeakPolarHBondContact CE-OD1 3.49Å; K558-D615 VanDerWaalsContact CE-OD2 3.24Å; K558-D615 WeakPolarHBondContact CE-OD2 3.4Å; K558-D615 IonicContact NZ-OD2 2.67Å; K558-D615 PolarHBondContact NZ-OD2 3.04Å; F612-D615 HydrophobicContact CB-CB 4.28Å
616	S	78.8	Confident	71.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64.5	150.4	178.9	-57.3	0	0	0	0	111.8	Q556 G557 H570 S571	Q556-S616 PolarHBondContact NE2-O 3.47Å; G557-S616 WeakPolarHBondContact O-CB 3.27Å; G557-S616 PolarHBondContact O-OG 3.48Å; H570-S616 WeakPolarHBondContact CA-OG 3.48Å; S571-S616 PolarHBondContact N-OG 3.09Å
617	P	78	Confident	72.1	Confident	13 Å²	13	50 Å²	50	8%	0.084	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-60.6	138.7	-179.2	27.2	-37.5	0	0	0	112.2	P573 V609 H610 F665	P573-P617 HydrophobicContact CG-CG 4.29Å; V609-P617 HydrophobicContact CG1-CB 3.8Å; H610-P617 WeakPolarHBondContact O-CA 3.43Å; P617-F665 HydrophobicContact CB-CE2 4.05Å; P617-F665 HydrophobicContact CB-CZ 4.3Å; P617-F665 HydrophobicContact CG-CE2 3.79Å; P617-F665 HydrophobicContact CG-CZ 3.9Å
618	K	84.7	Confident	72.1	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.6	168.9	-67	-172.2	175.8	-177.5	0	110.5	Y532 S534 K535 E537 I555 Q556 V609 H610 F612	Y532-K618 HydrophobicContact CD2-CD 4.42Å; S534-K618 PolarHBondContact O-NZ 3.21Å; K535-K618 WeakPolarHBondContact O-CD 3.14Å; K535-K618 PolarHBondContact O-NZ 3.17Å; E537-K618 PolarHBondContact O-NZ 3.42Å; I555-K618 CarbonylContact O-C 3.56Å; I555-K618 WeakPolarHBondContact O-CA 3.34Å; Q556-K618 HydrophobicContact CB-CG 4Å; Q556-K618 HydrophobicContact CG-CG 3.75Å; V609-K618 CarbonylContact C-O 3.58Å; H610-K618 HydrophobicContact CB-CB 4.44Å; H610-K618 PolarHBondContact N-O 3.18Å; H610-K618 PolarHBondContact O-N 3.49Å; F612-K618 HydrophobicContact CD2-CG 4.45Å; F612-K618 HydrophobicContact CE2-CB 4.07Å; F612-K618 HydrophobicContact CE2-CD 3.85Å; F612-K618 HydrophobicContact CE2-CG 3.77Å; F612-K618 HydrophobicContact CZ-CD 4.24Å
619	I	83.6	Confident	71.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.7	177.2	-44.1	160.6	0	0	0	107.2	F554 I555 P573 F591 I592	F554-I619 CarbonylContact C-O 3.59Å; F554-I619 WeakPolarHBondContact CA-O 3.48Å; I555-I619 HydrophobicContact CB-CB 4.35Å; I555-I619 PolarHBondContact N-O 2.77Å; I555-I619 PolarHBondContact O-N 3.46Å; P573-I619 HydrophobicContact CB-CD1 4.08Å; P573-I619 HydrophobicContact CG-CD1 4.09Å; P573-I619 HydrophobicContact CG-CG1 4.42Å; F591-I619 HydrophobicContact CD2-CG2 4.09Å; F591-I619 HydrophobicContact CE2-CD1 4.24Å; F591-I619 HydrophobicContact CE2-CG2 3.98Å; I592-I619 HydrophobicContact CD1-CB 4.46Å; I592-I619 HydrophobicContact CD1-CD1 3.57Å; I592-I619 HydrophobicContact CD1-CG1 3.71Å; I592-I619 HydrophobicContact CD1-CG2 3.9Å; I592-I619 HydrophobicContact CG1-CG2 4.41Å
620	G	82.8	Confident	70.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.9	164.5	0	0	0	0	0	109.1	M553 C607 R608	M553-G620 CarbonylContact O-C 3.55Å; M553-G620 WeakPolarHBondContact O-CA 3.43Å; C607-G620 WeakPolarHBondContact CA-O 3.28Å; R608-G620 PolarHBondContact N-O 2.86Å; R608-G620 PolarHBondContact O-N 2.86Å
621	L	82.1	Confident	70.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.5	176.5	179.3	63.3	0	0	0	109	T552 M553 I555 I578 F591 L623 L627 I641	T552-L621 CarbonylContact C-O 3.59Å; T552-L621 WeakPolarHBondContact CA-O 3.22Å; M553-L621 PolarHBondContact N-O 3.08Å; M553-L621 PolarHBondContact O-N 3.43Å; I555-L621 HydrophobicContact CD1-CB 3.99Å; I555-L621 HydrophobicContact CD1-CD2 3.91Å; I578-L621 HydrophobicContact CD1-CD2 3.89Å; F591-L621 HydrophobicContact CB-CD1 4Å; F591-L621 HydrophobicContact CD1-CD1 4.35Å; F591-L621 HydrophobicContact CD1-CD2 4.12Å; F591-L621 HydrophobicContact CD2-CD1 4.21Å; F591-L621 HydrophobicContact CD2-CD2 4.48Å; F591-L621 HydrophobicContact CE1-CD2 3.95Å; F591-L621 HydrophobicContact CE2-CD2 4.32Å; F591-L621 HydrophobicContact CG-CD1 3.96Å; F591-L621 HydrophobicContact CG-CD2 4.37Å; F591-L621 HydrophobicContact CZ-CD2 4.05Å; L621-L623 HydrophobicContact CD2-CD2 4.34Å; L621-L623 HydrophobicContact CG-CD2 4.42Å; L621-L627 HydrophobicContact CD1-CD1 4.48Å; L621-L627 HydrophobicContact CD1-CD2 4.08Å; L621-L627 HydrophobicContact CD2-CD2 4.42Å; L621-L627 HydrophobicContact CG-CD2 4.25Å; L621-I641 HydrophobicContact CD2-CD1 4.22Å
622	E	77.3	Confident	69.5	Low	52 Å²	52	48.7 Å²	48.7	24%	0.243	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.4	179.5	-171.8	-165.1	145.2	0	0	109.9	L606 N624	L606-E622 WeakPolarHBondContact CB-OE2 3.33Å; L606-E622 PolarHBondContact N-OE2 2.96Å; E622-N624 PolarHBondContact O-N 2.84Å; E622-N624 PolarHBondContact OE1-ND2 2.96Å
623	L	76.9	Confident	69.1	Low	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.			trans	-85.8	86.3	-177.7	-62.5	177.1	0	0	0	110.2	A547 L549 G550 T551 M553 L621 L627 L639 L696	A547-L623 HydrophobicContact CB-CD1 3.59Å; L549-L623 WeakPolarHBondContact CD1-O 3.46Å; G550-L623 PolarHBondContact N-O 3.27Å; T551-L623 PolarHBondContact O-N 2.64Å; M553-L623 HydrophobicContact CB-CD1 4.44Å; M553-L623 HydrophobicContact CE-CD1 4.25Å; L621-L623 HydrophobicContact CD2-CD2 4.34Å; L621-L623 HydrophobicContact CG-CD2 4.42Å; L623-L627 HydrophobicContact CD2-CD2 3.96Å; L623-L639 HydrophobicContact CD2-CD2 4.35Å; L623-L696 HydrophobicContact CB-CD2 4.5Å
624	N	71	Confident	68.6	Low	24 Å²	24	53.1 Å²	53.1	13%	0.128	26%	0.258	C	S	.	.			trans	-116.9	169.7	-178.6	69.1	29.8	0	0	0	113.2	G605 E622 N626 L627 I628	G605-N624 WeakPolarHBondContact CA-ND2 3.34Å; E622-N624 PolarHBondContact O-N 2.84Å; E622-N624 PolarHBondContact OE1-ND2 2.96Å; N624-N626 PolarHBondContact O-N 3.24Å; N624-N626 VanDerWaalsContact O-N 3.17Å; N624-N626 WeakPolarHBondContact OD1-CB 3.13Å; N624-N626 PolarHBondContact OD1-N 3.01Å; N624-N626 VanDerWaalsContact OD1-N 3.11Å; N624-L627 WeakPolarHBondContact O-CB 3.39Å; N624-L627 PolarHBondContact O-N 3.1Å; N624-L627 PolarHBondContact OD1-N 3.36Å; N624-I628 PolarHBondContact O-N 3.17Å
625	R	63.9	Low	68	Low	134 Å²	134	50.3 Å²	50.3	51%	0.506	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.6	-179.8	-68.7	-174.9	-167.5	-133.5	-4.8	113.3	L549 I628 P629 E633	L549-R625 HydrophobicContact CD2-CG 3.82Å; R625-I628 CarbonylContact O-C 3.44Å; R625-I628 PolarHBondContact O-N 3.03Å; R625-P629 WeakPolarHBondContact O-CA 3.17Å; R625-E633 IonicContact CZ-OE1 2.86Å; R625-E633 VanDerWaalsContact CZ-OE1 3.28Å; R625-E633 IonicContact NH1-OE1 2.67Å; R625-E633 PolarHBondContact NH1-OE1 3.41Å; R625-E633 IonicContact NH2-OE1 3.13Å; R625-E633 PolarHBondContact NH2-OE1 2.91Å
626	N	62	Low	67.3	Low	93 Å²	93	54.3 Å²	54.3	50%	0.497	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-37.8	179.9	-55.8	3.7	0	0	0	110.5	G603 Y604 N624 I628	G603-N626 WeakPolarHBondContact O-CB 3.24Å; G603-N626 PolarHBondContact O-ND2 3.06Å; Y604-N626 WeakPolarHBondContact CD1-O 3.32Å; Y604-N626 WeakPolarHBondContact CE1-O 3.47Å; N624-N626 PolarHBondContact O-N 3.24Å; N624-N626 VanDerWaalsContact O-N 3.17Å; N624-N626 WeakPolarHBondContact OD1-CB 3.13Å; N624-N626 PolarHBondContact OD1-N 3.01Å; N624-N626 VanDerWaalsContact OD1-N 3.11Å; N626-I628 PolarHBondContact O-N 3.47Å
627	L	62.4	Low	66.7	Low	2 Å²	2	55.1 Å²	55.1	1%	0.01	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.8	171.8	-169.4	72.9	0	0	0	112.4	I578 I589 L621 L623 N624	I578-L627 HydrophobicContact CD1-CD1 4.2Å; I578-L627 HydrophobicContact CD1-CD2 3.64Å; I578-L627 HydrophobicContact CD1-CG 3.99Å; I589-L627 VanDerWaalsContact CD1-O 3.24Å; I589-L627 WeakPolarHBondContact CD1-O 3.09Å; I589-L627 HydrophobicContact CG2-CD1 3.99Å; L621-L627 HydrophobicContact CD1-CD1 4.48Å; L621-L627 HydrophobicContact CD1-CD2 4.08Å; L621-L627 HydrophobicContact CD2-CD2 4.42Å; L621-L627 HydrophobicContact CG-CD2 4.25Å; L623-L627 HydrophobicContact CD2-CD2 3.96Å; N624-L627 WeakPolarHBondContact O-CB 3.39Å; N624-L627 PolarHBondContact O-N 3.1Å; N624-L627 PolarHBondContact OD1-N 3.36Å
628	I	64.9	Low	66.2	Low	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-135.5	71.7	-173.7	-47.6	166.5	0	0	0	109	L549 N624 R625 N626 Y630 F631 L639 L696	L549-I628 HydrophobicContact CD1-CD1 4.48Å; N624-I628 PolarHBondContact O-N 3.17Å; R625-I628 CarbonylContact O-C 3.44Å; R625-I628 PolarHBondContact O-N 3.03Å; N626-I628 PolarHBondContact O-N 3.47Å; I628-Y630 PolarHBondContact O-N 2.95Å; I628-F631 HydrophobicContact CB-CB 4.46Å; I628-F631 HydrophobicContact CG2-CB 3.94Å; I628-F631 WeakPolarHBondContact O-CB 3.35Å; I628-F631 PolarHBondContact O-N 3.13Å; I628-L639 HydrophobicContact CD1-CD1 3.76Å; I628-L639 HydrophobicContact CG1-CD1 3.97Å; I628-L696 HydrophobicContact CD1-CD1 3.67Å; I628-L696 HydrophobicContact CD1-CD2 3.34Å; I628-L696 HydrophobicContact CD1-CG 4.14Å
629	P	56.7	Low	65.8	Low	76 Å²	76	56.2 Å²	56.2	49%	0.494	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.2	-168.6	25.7	-34.8	0	0	0	114	R625	R625-P629 WeakPolarHBondContact O-CA 3.17Å
630	Y	57.3	Low	65.4	Low	165 Å²	165	56.8 Å²	56.8	65%	0.647	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	20.4	179.1	-55.4	-69.3	0	0	0	113.5	I628 S632 Q637	I628-Y630 PolarHBondContact O-N 2.95Å; Y630-S632 PolarHBondContact O-N 2.79Å; Y630-S632 VanDerWaalsContact O-N 3.11Å; Y630-Q637 PolarHBondContact O-NE2 3.33Å; Y630-Q637 PolarHBondContact O-OE1 2.92Å
631	F	58.8	Low	65.4	Low	22 Å²	22	56.8 Å²	56.8	10%	0.096	29%	0.285	C	S	.	.			trans	-64.5	111.5	177	-176.7	-99.1	0	0	0	111.3	L549 I628 E633 Q637 L696	L549-F631 HydrophobicContact CD2-CD1 3.75Å; L549-F631 HydrophobicContact CD2-CE1 4.04Å; L549-F631 HydrophobicContact CD2-CG 4.35Å; I628-F631 HydrophobicContact CB-CB 4.46Å; I628-F631 HydrophobicContact CG2-CB 3.94Å; I628-F631 WeakPolarHBondContact O-CB 3.35Å; I628-F631 PolarHBondContact O-N 3.13Å; F631-E633 HydrophobicContact CE1-CG 4.19Å; F631-Q637 HydrophobicContact CD2-CB 4.49Å; F631-L696 HydrophobicContact CD2-CB 4.09Å; F631-L696 HydrophobicContact CE2-CB 3.53Å; F631-L696 HydrophobicContact CZ-CB 4.38Å
632	S	53.9	Low	65.5	Low	41 Å²	41	57.1 Å²	57.1	29%	0.287	29%	0.288	S	S	.	.			trans	-88.5	125.4	172.4	-178.8	0	0	0	0	110.1	Y630 Q634 S635 Q637	Y630-S632 PolarHBondContact O-N 2.79Å; Y630-S632 VanDerWaalsContact O-N 3.11Å; S632-Q634 PolarHBondContact O-N 3.21Å; S632-Q634 VanDerWaalsContact O-N 3.12Å; S632-Q634 PolarHBondContact OG-N 3.18Å; S632-S635 PolarHBondContact O-N 2.85Å; S632-Q637 VanDerWaalsContact N-NE2 3.11Å
633	E	56.6	Low	65.8	Low	117 Å²	117	54.7 Å²	54.7	55%	0.547	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.7	172.2	-64.5	178.2	-157.8	0	0	112.7	R625 F631	R625-E633 IonicContact CZ-OE1 2.86Å; R625-E633 VanDerWaalsContact CZ-OE1 3.28Å; R625-E633 IonicContact NH1-OE1 2.67Å; R625-E633 PolarHBondContact NH1-OE1 3.41Å; R625-E633 IonicContact NH2-OE1 3.13Å; R625-E633 PolarHBondContact NH2-OE1 2.91Å; F631-E633 HydrophobicContact CE1-CG 4.19Å
634	Q	48.8	Very low	66	Low	190 Å²	190	57 Å²	57	89%	0.888	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-5.3	-179.5	-61.1	179.3	-10.5	0	0	114.1	S632	S632-Q634 PolarHBondContact O-N 3.21Å; S632-Q634 VanDerWaalsContact O-N 3.12Å; S632-Q634 PolarHBondContact OG-N 3.18Å
635	S	54.3	Low	66.3	Low	61 Å²	61	55.8 Å²	55.8	43%	0.427	28%	0.281	S	S	.	.	S	Bend	trans	-141.3	134.5	178.5	61	0	0	0	0	113.7	S632 Q637	S632-S635 PolarHBondContact O-N 2.85Å; S635-Q637 PolarHBondContact O-N 2.94Å
636	N	58.2	Low	66.8	Low	136 Å²	136	49.6 Å²	49.6	73%	0.727	26%	0.258	S	S	*	.			trans	-67.5	99.8	175	-69.2	-9.9	0	0	0	109.5
637	Q	66.4	Low	67.4	Low	19 Å²	19	46.6 Å²	46.6	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.9	-179.4	-65.3	-170.9	3	0	0	111.8	Y630 F631 S632 S635 A695 L696	Y630-Q637 PolarHBondContact O-NE2 3.33Å; Y630-Q637 PolarHBondContact O-OE1 2.92Å; F631-Q637 HydrophobicContact CD2-CB 4.49Å; S632-Q637 VanDerWaalsContact N-NE2 3.11Å; S635-Q637 PolarHBondContact O-N 2.94Å; Q637-A695 WeakPolarHBondContact O-CA 3.48Å; Q637-L696 PolarHBondContact O-N 3.19Å
638	S	68.3	Low	67.8	Low	44 Å²	44	46.6 Å²	46.6	31%	0.308	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.5	170.9	48.7	0	0	0	0	111.9	E581 L694	E581-S638 PolarHBondContact N-O 2.95Å; E581-S638 VanDerWaalsContact OE2-CB 3.28Å; E581-S638 WeakPolarHBondContact OE2-CB 3.41Å; E581-S638 PolarHBondContact OE2-OG 3.49Å; S638-L694 CarbonylContact C-O 3.57Å; S638-L694 WeakPolarHBondContact CA-O 3.29Å
639	L	75.1	Confident	68.1	Low	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118	178.9	-178.5	107.9	0	0	0	108.3	I578 L623 I628 I641 L694 L696	I578-L639 HydrophobicContact CB-CD1 4.35Å; I578-L639 HydrophobicContact CD1-CD1 4.02Å; I578-L639 HydrophobicContact CD1-CD2 4.05Å; I578-L639 HydrophobicContact CD1-CG 4.36Å; I578-L639 HydrophobicContact CG1-CD1 4.04Å; I578-L639 HydrophobicContact CG1-CD2 4.06Å; I578-L639 HydrophobicContact CG1-CG 4.08Å; I578-L639 HydrophobicContact CG2-CD1 3.4Å; I578-L639 VanDerWaalsContact CG2-CD1 3.4Å; I578-L639 HydrophobicContact CG2-CG 4.03Å; L623-L639 HydrophobicContact CD2-CD2 4.35Å; I628-L639 HydrophobicContact CD1-CD1 3.76Å; I628-L639 HydrophobicContact CG1-CD1 3.97Å; L639-I641 HydrophobicContact CD2-CD1 4.19Å; L639-I641 HydrophobicContact CD2-CG1 3.81Å; L639-L694 HydrophobicContact CD2-CD1 4.25Å; L639-L694 PolarHBondContact N-O 3.26Å; L639-L694 PolarHBondContact O-N 2.99Å; L639-L696 HydrophobicContact CB-CD1 3.44Å; L639-L696 VanDerWaalsContact CB-CD1 3.44Å; L639-L696 HydrophobicContact CD1-CD1 3.98Å; L639-L696 HydrophobicContact CD2-CD1 4.21Å; L639-L696 HydrophobicContact CG-CD1 4.08Å
640	T	76.8	Confident	68.5	Low	13 Å²	13	46.5 Å²	46.5	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.2	178.6	-64.5	0	0	0	0	109	N579 E581 R693	N579-T640 PolarHBondContact N-O 2.93Å; N579-T640 PolarHBondContact O-N 3.43Å; E581-T640 PolarHBondContact OE1-OG1 2.94Å; T640-R693 HydrophobicContact CG2-CG 4.46Å; T640-R693 WeakPolarHBondContact OG1-CG 3.32Å
641	I	81.8	Confident	68.8	Low	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.7	170.4	-61.2	-176.8	0	0	0	107.8	M553 I555 I578 F591 L621 L639 S691 V692 L694	M553-I641 HydrophobicContact SD-CD1 4.04Å; I555-I641 HydrophobicContact CD1-CD1 4.03Å; I555-I641 HydrophobicContact CD1-CG2 4.09Å; I578-I641 HydrophobicContact CG1-CG1 4.03Å; F591-I641 HydrophobicContact CE1-CG2 4.16Å; F591-I641 HydrophobicContact CZ-CG2 3.9Å; L621-I641 HydrophobicContact CD2-CD1 4.22Å; L639-I641 HydrophobicContact CD2-CD1 4.19Å; L639-I641 HydrophobicContact CD2-CG1 3.81Å; I641-S691 CarbonylContact O-C 3.56Å; I641-S691 WeakPolarHBondContact O-CA 3.46Å; I641-S691 WeakPolarHBondContact O-CB 3.28Å; I641-V692 PolarHBondContact N-O 3.25Å; I641-V692 PolarHBondContact O-N 3.26Å; I641-L694 HydrophobicContact CD1-CD1 3.5Å; I641-L694 VanDerWaalsContact CD1-CD1 3.5Å; I641-L694 HydrophobicContact CG1-CD1 4.05Å
642	S	84	Confident	68.6	Low	9 Å²	9	50 Å²	50	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.5	176	-57.8	0	0	0	0	111	C576 W577 Q690 S691	C576-S642 CarbonylContact C-O 3.57Å; C576-S642 VanDerWaalsContact CA-O 3.23Å; C576-S642 WeakPolarHBondContact CA-O 3.32Å; W577-S642 PolarHBondContact N-O 2.82Å; W577-S642 PolarHBondContact O-N 3.01Å; S642-Q690 CarbonylContact C-O 3.59Å; S642-Q690 VanDerWaalsContact CA-O 3.31Å; S642-Q690 WeakPolarHBondContact CA-O 3.38Å; S642-S691 WeakPolarHBondContact OG-CB 3.23Å
643	C	83.9	Confident	68.3	Low	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.7	175.3	-78.6	0	0	0	0	112.1	I529 N575 C576 F645 V689 Q690	I529-C643 HydrophobicContact CD1-CB 3.99Å; N575-C643 CarbonylContact O-C 3.12Å; N575-C643 WeakPolarHBondContact O-CA 3.17Å; C576-C643 HydrophobicContact CB-CB 4.14Å; C576-C643 WeakPolarHBondContact CB-SG 3.5Å; C576-C643 WeakPolarHBondContact SG-CB 3.24Å; C576-C643 CovalentContact SG-SG 2.04Å; C576-C643 PolarHBondContact SG-SG 3.5Å; C643-F645 HydrophobicContact CB-CD2 4.08Å; C643-F645 HydrophobicContact CB-CE1 4.26Å; C643-F645 HydrophobicContact CB-CE2 3.32Å; C643-F645 HydrophobicContact CB-CZ 3.43Å; C643-F645 VanDerWaalsContact CB-CZ 3.43Å; C643-V689 WeakPolarHBondContact O-CA 3.49Å; C643-Q690 PolarHBondContact N-O 3.4Å; C643-Q690 PolarHBondContact O-N 3.21Å
644	E	80.1	Confident	67.5	Low	48 Å²	48	50.8 Å²	50.8	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.8	163.3	-76.6	170.5	-160.2	0	0	109.8	M574 N575 W577 A687 V689	M574-E644 PolarHBondContact N-O 2.88Å; N575-E644 HydrophobicContact CB-CB 4.33Å; N575-E644 PolarHBondContact ND2-OE2 3.25Å; N575-E644 PolarHBondContact O-N 2.87Å; W577-E644 HydrophobicContact CH2-CG 4.02Å; W577-E644 HydrophobicContact CZ3-CG 3.9Å; E644-A687 HydrophobicContact CB-CB 3.8Å; E644-A687 HydrophobicContact CG-CB 4Å; E644-V689 HydrophobicContact CG-CG2 3.79Å
645	F	79	Confident	67.2	Low	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	155.8	173	-60	-81.8	0	0	0	112.1	H527 I529 G557 Y572 P573 C643 A687 V688	H527-F645 HydrophobicContact CB-CB 4.15Å; H527-F645 HydrophobicContact CB-CD2 4.22Å; H527-F645 HydrophobicContact CB-CG 4.47Å; I529-F645 HydrophobicContact CD1-CE2 4.11Å; I529-F645 HydrophobicContact CG1-CE2 3.59Å; I529-F645 HydrophobicContact CG1-CZ 4.02Å; G557-F645 VanDerWaalsContact CA-CE1 3.48Å; G557-F645 VanDerWaalsContact CA-CZ 3.45Å; Y572-F645 WeakPolarHBondContact O-CA 3.32Å; P573-F645 HydrophobicContact CB-CD1 4.02Å; P573-F645 HydrophobicContact CB-CE1 3.79Å; P573-F645 HydrophobicContact CG-CE1 4.42Å; C643-F645 HydrophobicContact CB-CD2 4.08Å; C643-F645 HydrophobicContact CB-CE1 4.26Å; C643-F645 HydrophobicContact CB-CE2 3.32Å; C643-F645 HydrophobicContact CB-CZ 3.43Å; C643-F645 VanDerWaalsContact CB-CZ 3.43Å; F645-A687 WeakPolarHBondContact O-CA 3.4Å; F645-A687 WeakPolarHBondContact O-CB 3.48Å; F645-V688 PolarHBondContact N-O 2.8Å
646	F	73.4	Confident	67	Low	4 Å²	4	46.6 Å²	46.6	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.7	159.7	74.7	-88.6	0	0	0	111.7	Y572 M574 C648 P660 P663 V681 M683	Y572-F646 HydrophobicContact CD1-CD1 4.08Å; Y572-F646 AromaticContact CD1-CE1 3.28Å; Y572-F646 HydrophobicContact CD1-CE1 3.28Å; Y572-F646 AromaticContact CD1-CZ 3.89Å; Y572-F646 HydrophobicContact CD1-CZ 3.89Å; Y572-F646 HydrophobicContact CD2-CE1 4.45Å; Y572-F646 HydrophobicContact CD2-CZ 4.26Å; Y572-F646 HydrophobicContact CE1-CE1 4.11Å; Y572-F646 HydrophobicContact CG-CD1 4.27Å; Y572-F646 AromaticContact CG-CE1 3.51Å; Y572-F646 HydrophobicContact CG-CE1 3.51Å; Y572-F646 AromaticContact CG-CZ 3.7Å; Y572-F646 HydrophobicContact CG-CZ 3.7Å; Y572-F646 PolarHBondContact N-O 3Å; Y572-F646 WeakPolarHBondContact O-CD1 3.31Å; Y572-F646 PolarHBondContact O-N 2.95Å; M574-F646 HydrophobicContact CG-CD1 3.36Å; M574-F646 HydrophobicContact CG-CE1 3.55Å; M574-F646 HydrophobicContact SD-CD1 4.15Å; M574-F646 HydrophobicContact SD-CE1 3.73Å; F646-C648 HydrophobicContact CD2-CB 4.15Å; F646-C648 HydrophobicContact CE2-CB 3.71Å; F646-P660 HydrophobicContact CD2-CG 4.19Å; F646-P660 HydrophobicContact CE2-CG 4.01Å; F646-P663 HydrophobicContact CZ-CG 3.95Å; F646-V681 HydrophobicContact CE2-CG1 4.45Å; F646-V681 HydrophobicContact CZ-CG1 4.4Å; F646-M683 HydrophobicContact CB-CE 3.93Å; F646-M683 HydrophobicContact CB-SD 3.52Å; F646-M683 VanDerWaalsContact CB-SD 3.52Å; F646-M683 HydrophobicContact CD1-SD 3.83Å; F646-M683 HydrophobicContact CD2-CE 3.56Å; F646-M683 HydrophobicContact CD2-SD 3.75Å; F646-M683 HydrophobicContact CE1-SD 4.37Å; F646-M683 HydrophobicContact CE2-CE 4.18Å; F646-M683 HydrophobicContact CE2-SD 4.34Å; F646-M683 HydrophobicContact CG-CE 3.86Å; F646-M683 HydrophobicContact CG-SD 3.46Å; F646-M683 WeakPolarHBondContact CG-SD 3.33Å
647	P	74.2	Confident	66.4	Low	30 Å²	30	47.2 Å²	47.2	20%	0.195	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.1	174.9	31.4	-33.2	0	0	0	110.5	V525 H527 I569 I659	V525-P647 HydrophobicContact CB-CB 4.07Å; V525-P647 HydrophobicContact CB-CG 4.37Å; V525-P647 HydrophobicContact CG1-CB 4.03Å; V525-P647 HydrophobicContact CG2-CB 4Å; V525-P647 HydrophobicContact CG2-CG 4.36Å; H527-P647 WeakPolarHBondContact NE2-CD 3.49Å; I569-P647 HydrophobicContact CG2-CB 3.97Å; P647-I659 HydrophobicContact CB-CG2 4.48Å
648	C	71.2	Confident	65.6	Low	1 Å²	1	53.4 Å²	53.4	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.9	174.3	74.9	0	0	0	0	111.4	H570 F646 I659 P660 C662	H570-C648 PolarHBondContact N-O 2.95Å; H570-C648 PolarHBondContact O-N 3.43Å; F646-C648 HydrophobicContact CD2-CB 4.15Å; F646-C648 HydrophobicContact CE2-CB 3.71Å; C648-I659 VanDerWaalsContact C-CG2 3.49Å; C648-I659 VanDerWaalsContact CA-CG2 3.48Å; C648-P660 CarbonylContact C-O 3.57Å; C648-P660 VanDerWaalsContact CA-O 3.27Å; C648-P660 WeakPolarHBondContact CA-O 3.44Å; C648-C662 HydrophobicContact CB-CB 3.85Å; C648-C662 WeakPolarHBondContact CB-SG 3.45Å; C648-C662 WeakPolarHBondContact SG-CA 3.27Å; C648-C662 WeakPolarHBondContact SG-CB 3.42Å; C648-C662 CovalentContact SG-SG 2.04Å; C648-C662 PolarHBondContact SG-SG 2.84Å
649	S	71.3	Confident	65	Low	3 Å²	3	52.3 Å²	52.3	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.8	172.7	-179.6	0	0	0	0	112.6	N568 K651 P660 K661 C662	N568-S649 VanDerWaalsContact O-CA 3.28Å; N568-S649 WeakPolarHBondContact O-CA 3.4Å; N568-S649 WeakPolarHBondContact O-CB 3.44Å; N568-S649 PolarHBondContact O-OG 2.94Å; S649-K651 VanDerWaalsContact C-N 3.35Å; S649-K651 WeakPolarHBondContact CB-O 3.38Å; S649-K651 PolarHBondContact OG-N 3.07Å; S649-K651 PolarHBondContact OG-O 3.21Å; S649-P660 PolarHBondContact N-O 3.04Å; S649-K661 CarbonylContact O-C 3.6Å; S649-K661 VanDerWaalsContact O-CA 3.26Å; S649-K661 WeakPolarHBondContact O-CA 3.42Å; S649-K661 VanDerWaalsContact O-CG 3.31Å; S649-K661 WeakPolarHBondContact O-CG 3.1Å; S649-C662 PolarHBondContact N-SG 3.17Å; S649-C662 VanDerWaalsContact N-SG 3.44Å; S649-C662 PolarHBondContact O-N 2.99Å
650	L	65.9	Low	64.3	Low	72 Å²	72	54.6 Å²	54.6	38%	0.377	27%	0.267	S	S	.	.	S	Bend	trans	-72.4	-31.1	171.2	-71.2	174.4	0	0	0	111.8	H570 N613 K661 C662	H570-L650 WeakPolarHBondContact NE2-CD1 3.43Å; N613-L650 WeakPolarHBondContact O-CD1 3.44Å; L650-K661 WeakPolarHBondContact O-CE 3.38Å; L650-C662 HydrophobicContact CD2-CB 3.98Å
651	K	63.7	Low	63.8	Low	122 Å²	122	60.5 Å²	60.5	53%	0.53	29%	0.291	S	S	.	.	S	Bend	trans	-110	140.1	-177.1	-66.1	171.4	-170	155	0	111	S649 T653	S649-K651 VanDerWaalsContact C-N 3.35Å; S649-K651 WeakPolarHBondContact CB-O 3.38Å; S649-K651 PolarHBondContact OG-N 3.07Å; S649-K651 PolarHBondContact OG-O 3.21Å; K651-T653 HydrophobicContact CB-CG2 4.25Å; K651-T653 PolarHBondContact O-N 3.24Å
652	L	53.5	Low	63.2	Low	140 Å²	140	61.2 Å²	61.2	73%	0.733	30%	0.296	S	S	*	.			trans	-73.9	91	168.2	-84.4	152.2	0	0	0	108.6	K359	K359-L652 HydrophobicContact CD-CD1 4.42Å
653	T	47.4	Very low	62.2	Low	36 Å²	36	61.7 Å²	61.7	22%	0.221	30%	0.299	C	S	.	.			trans	-98.2	130.4	175.6	48.2	0	0	0	0	110.4	K651 F655 L656	K651-T653 HydrophobicContact CB-CG2 4.25Å; K651-T653 PolarHBondContact O-N 3.24Å; T653-F655 PolarHBondContact O-N 2.87Å; T653-L656 PolarHBondContact O-N 2.67Å; T653-L656 VanDerWaalsContact OG1-CD1 3.32Å; T653-L656 WeakPolarHBondContact OG1-CD1 3.5Å; T653-L656 WeakPolarHBondContact OG1-CG 3.49Å
654	E	41	Very low	61	Low	137 Å²	137	65.3 Å²	65.3	64%	0.64	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	9.7	-172.2	-53	-167.1	124.4	0	0	115.1	W657	E654-W657 PolarHBondContact O-NE1 3.49Å
655	F	42.1	Very low	59.8	Low	158 Å²	158	64 Å²	64	69%	0.693	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-5.8	175	-60.8	-82.1	0	0	0	113.1	T653	T653-F655 PolarHBondContact O-N 2.87Å
656	L	50.6	Low	58.2	Low	6 Å²	6	69.1 Å²	69.1	3%	0.031	34%	0.34	C	S	.	.			trans	-118.4	38.3	-174.5	-57.9	-174.6	0	0	0	112.7	W563 Y564 I569 T653 L658 I659	W563-L656 HydrophobicContact CH2-CD2 3.52Å; W563-L656 HydrophobicContact CZ3-CD2 3.68Å; Y564-L656 HydrophobicContact CD1-CD1 4.43Å; Y564-L656 HydrophobicContact CD1-CD2 4.07Å; Y564-L656 HydrophobicContact CD2-CD2 3.8Å; Y564-L656 HydrophobicContact CE1-CD1 3.89Å; Y564-L656 HydrophobicContact CE1-CD2 4.19Å; Y564-L656 HydrophobicContact CE1-CG 4.47Å; Y564-L656 HydrophobicContact CE2-CD2 3.97Å; Y564-L656 HydrophobicContact CE2-CG 4.34Å; Y564-L656 HydrophobicContact CG-CD2 3.85Å; I569-L656 HydrophobicContact CD1-CD1 4.4Å; I569-L656 HydrophobicContact CD1-CD2 4.2Å; I569-L656 HydrophobicContact CG1-CD1 3.78Å; I569-L656 HydrophobicContact CG1-CD2 4.47Å; T653-L656 PolarHBondContact O-N 2.67Å; T653-L656 VanDerWaalsContact OG1-CD1 3.32Å; T653-L656 WeakPolarHBondContact OG1-CD1 3.5Å; T653-L656 WeakPolarHBondContact OG1-CG 3.49Å; L656-L658 PolarHBondContact O-N 3.31Å; L656-L658 VanDerWaalsContact O-N 3.08Å; L656-I659 HydrophobicContact CB-CB 4.2Å; L656-I659 HydrophobicContact CB-CD1 4.38Å; L656-I659 HydrophobicContact CB-CG1 4.43Å; L656-I659 HydrophobicContact CD1-CD1 4.39Å; L656-I659 HydrophobicContact CD2-CD1 4.1Å; L656-I659 PolarHBondContact O-N 2.79Å
657	W	45	Very low	56.7	Low	149 Å²	149	71.1 Å²	71.1	56%	0.564	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.2	-173	-67.9	66.7	0	0	0	114.6	R360 E398 E654	R360-W657 VanDerWaalsContact NH1-CH2 3.29Å; E398-W657 HydrophobicContact CG-CZ3 4.44Å; E654-W657 PolarHBondContact O-NE1 3.49Å
658	L	49.1	Very low	55.3	Low	149 Å²	149	71.2 Å²	71.2	78%	0.78	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.5	176	-64.3	173.8	0	0	0	113.6	L656	L656-L658 PolarHBondContact O-N 3.31Å; L656-L658 VanDerWaalsContact O-N 3.08Å
659	I	57	Low	53.9	Low	20 Å²	20	74.3 Å²	74.3	10%	0.103	38%	0.377	C	S	.	.	S	Bend	trans	-102	117.3	-176	-60	-172.2	0	0	0	109	V525 W563 I569 P647 C648 L656	V525-I659 HydrophobicContact CG2-CD1 4.43Å; W563-I659 HydrophobicContact CH2-CD1 4.28Å; W563-I659 HydrophobicContact CZ2-CD1 4.26Å; I569-I659 HydrophobicContact CD1-CD1 3.55Å; I569-I659 HydrophobicContact CG1-CD1 3.81Å; I569-I659 HydrophobicContact CG2-CD1 4.21Å; P647-I659 HydrophobicContact CB-CG2 4.48Å; C648-I659 VanDerWaalsContact C-CG2 3.49Å; C648-I659 VanDerWaalsContact CA-CG2 3.48Å; L656-I659 HydrophobicContact CB-CB 4.2Å; L656-I659 HydrophobicContact CB-CD1 4.38Å; L656-I659 HydrophobicContact CB-CG1 4.43Å; L656-I659 HydrophobicContact CD1-CD1 4.39Å; L656-I659 HydrophobicContact CD2-CD1 4.1Å; L656-I659 PolarHBondContact O-N 2.79Å
660	P	60	Low	52.2	Low	49 Å²	49	78.3 Å²	78.3	32%	0.318	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-66	155.8	-179.4	28.3	-35.8	0	0	0	111.7	F646 C648 S649 C662 M683	F646-P660 HydrophobicContact CD2-CG 4.19Å; F646-P660 HydrophobicContact CE2-CG 4.01Å; C648-P660 CarbonylContact C-O 3.57Å; C648-P660 VanDerWaalsContact CA-O 3.27Å; C648-P660 WeakPolarHBondContact CA-O 3.44Å; S649-P660 PolarHBondContact N-O 3.04Å; P660-C662 PolarHBondContact O-N 3.48Å; P660-M683 HydrophobicContact CG-CE 4.13Å
661	K	65.1	Low	50.5	Low	138 Å²	138	83 Å²	83	60%	0.6	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-63.3	135.3	169	-162	-157.2	173.2	-160.1	0	109.2	S649 L650 P663	S649-K661 CarbonylContact O-C 3.6Å; S649-K661 VanDerWaalsContact O-CA 3.26Å; S649-K661 WeakPolarHBondContact O-CA 3.42Å; S649-K661 VanDerWaalsContact O-CG 3.31Å; S649-K661 WeakPolarHBondContact O-CG 3.1Å; L650-K661 WeakPolarHBondContact O-CE 3.38Å; K661-P663 WeakPolarHBondContact O-CD 3.25Å
662	C	69.7	Low	48.8	Very low	14 Å²	14	82.3 Å²	82.3	10%	0.095	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-53.5	126.2	173.2	-60	0	0	0	0	111	C648 S649 L650 P660	C648-C662 HydrophobicContact CB-CB 3.85Å; C648-C662 WeakPolarHBondContact CB-SG 3.45Å; C648-C662 WeakPolarHBondContact SG-CA 3.27Å; C648-C662 WeakPolarHBondContact SG-CB 3.42Å; C648-C662 CovalentContact SG-SG 2.04Å; C648-C662 PolarHBondContact SG-SG 2.84Å; S649-C662 PolarHBondContact N-SG 3.17Å; S649-C662 VanDerWaalsContact N-SG 3.44Å; S649-C662 PolarHBondContact O-N 2.99Å; L650-C662 HydrophobicContact CD2-CB 3.98Å; P660-C662 PolarHBondContact O-N 3.48Å
663	P	63	Low	47.7	Very low	19 Å²	19	79.6 Å²	79.6	12%	0.123	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-62.9	155.7	173.1	-22.8	33.1	0	0	0	112.8	Y572 F646 K661 F665 I679 V681	Y572-P663 HydrophobicContact CE2-CB 3.97Å; Y572-P663 HydrophobicContact CE2-CG 4.11Å; Y572-P663 WeakPolarHBondContact CE2-O 3.26Å; F646-P663 HydrophobicContact CZ-CG 3.95Å; K661-P663 WeakPolarHBondContact O-CD 3.25Å; P663-F665 PolarHBondContact O-N 3.35Å; P663-I679 HydrophobicContact CB-CD1 3.71Å; P663-I679 HydrophobicContact CB-CG1 4.32Å; P663-I679 HydrophobicContact CB-CG2 3.74Å; P663-I679 HydrophobicContact CG-CG2 3.72Å; P663-V681 HydrophobicContact CG-CG2 4.48Å
664	P	58.4	Low	46.8	Very low	76 Å²	76	82.2 Å²	82.2	49%	0.494	46%	0.456	S	S	.	.			trans	-80.9	114.6	171.3	31.6	-31	0	0	0	110.7	H666 A667	P664-H666 PolarHBondContact O-N 2.85Å; P664-A667 WeakPolarHBondContact O-CB 3.42Å; P664-A667 PolarHBondContact O-N 3.26Å
665	F	54.8	Low	46.4	Very low	20 Å²	20	81.9 Å²	81.9	9%	0.088	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-55.9	-21.9	171.7	-79.5	-85.2	0	0	0	113.6	Y572 P573 G595 V609 H611 P617 P663 A667 C668	Y572-F665 AromaticContact CD1-CZ 3.98Å; Y572-F665 HydrophobicContact CD1-CZ 3.98Å; Y572-F665 HydrophobicContact CD2-CD2 4.41Å; Y572-F665 AromaticContact CD2-CE2 3.57Å; Y572-F665 HydrophobicContact CD2-CE2 3.57Å; Y572-F665 AromaticContact CD2-CZ 3.78Å; Y572-F665 HydrophobicContact CD2-CZ 3.78Å; Y572-F665 AromaticContact CE1-CE1 3.79Å; Y572-F665 HydrophobicContact CE1-CE1 3.79Å; Y572-F665 HydrophobicContact CE1-CE2 4.25Å; Y572-F665 AromaticContact CE1-CZ 3.59Å; Y572-F665 HydrophobicContact CE1-CZ 3.59Å; Y572-F665 HydrophobicContact CE2-CD1 4.45Å; Y572-F665 AromaticContact CE2-CD2 3.62Å; Y572-F665 HydrophobicContact CE2-CD2 3.62Å; Y572-F665 HydrophobicContact CE2-CE1 4.06Å; Y572-F665 AromaticContact CE2-CE2 3.14Å; Y572-F665 HydrophobicContact CE2-CE2 3.14Å; Y572-F665 HydrophobicContact CE2-CG 4.25Å; Y572-F665 AromaticContact CE2-CZ 3.39Å; Y572-F665 HydrophobicContact CE2-CZ 3.39Å; Y572-F665 HydrophobicContact CG-CE2 4.29Å; Y572-F665 HydrophobicContact CG-CZ 4.06Å; Y572-F665 AromaticContact CZ-CD1 3.93Å; Y572-F665 AromaticContact CZ-CD2 3.95Å; Y572-F665 AromaticContact CZ-CE1 3.5Å; Y572-F665 AromaticContact CZ-CE2 3.53Å; Y572-F665 AromaticContact CZ-CZ 3.28Å; Y572-F665 WeakPolarHBondContact OH-CD1 3.26Å; Y572-F665 WeakPolarHBondContact OH-CE1 3.45Å; P573-F665 HydrophobicContact CG-CE1 4.49Å; P573-F665 HydrophobicContact CG-CZ 4.09Å; G595-F665 VanDerWaalsContact O-CD1 3.27Å; G595-F665 WeakPolarHBondContact O-CD1 3.36Å; G595-F665 VanDerWaalsContact O-CE1 3.26Å; G595-F665 WeakPolarHBondContact O-CE1 3.48Å; V609-F665 HydrophobicContact CG1-CD1 4.3Å; V609-F665 HydrophobicContact CG1-CE1 4.2Å; V609-F665 HydrophobicContact CG1-CZ 4.37Å; H611-F665 VanDerWaalsContact CE1-CB 3.48Å; H611-F665 WeakPolarHBondContact CE1-CB 3.46Å; H611-F665 AromaticContact CE1-CD2 3.27Å; H611-F665 WeakPolarHBondContact CE1-CD2 3.17Å; H611-F665 AromaticContact CE1-CG 3.43Å; H611-F665 VanDerWaalsContact CE1-CG 3.43Å; H611-F665 WeakPolarHBondContact CE1-CG 3.33Å; H611-F665 AromaticContact ND1-CD2 3.91Å; H611-F665 WeakPolarHBondContact NE2-CB 3.41Å; H611-F665 AromaticContact NE2-CD2 3.99Å; H611-F665 AromaticContact NE2-CG 3.93Å; P617-F665 HydrophobicContact CB-CE2 4.05Å; P617-F665 HydrophobicContact CB-CZ 4.3Å; P617-F665 HydrophobicContact CG-CE2 3.79Å; P617-F665 HydrophobicContact CG-CZ 3.9Å; P663-F665 PolarHBondContact O-N 3.35Å; F665-A667 PolarHBondContact O-N 2.66Å; F665-A667 VanDerWaalsContact O-N 3.07Å; F665-C668 WeakPolarHBondContact O-CB 3.19Å; F665-C668 PolarHBondContact O-N 2.98Å
666	H	46.3	Very low	45.6	Very low	109 Å²	109	79.5 Å²	79.5	51%	0.505	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-58.6	-16.5	172.8	-59.9	-61.9	0	0	0	114.1	P664 C668 T669 L673	P664-H666 PolarHBondContact O-N 2.85Å; H666-C668 PolarHBondContact O-N 2.86Å; H666-T669 WeakPolarHBondContact CA-OG1 3.14Å; H666-T669 PolarHBondContact O-OG1 3.43Å; H666-L673 HydrophobicContact CB-CD1 4.47Å
667	A	40.7	Very low	44.5	Very low	46 Å²	46	83.9 Å²	83.9	38%	0.38	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14.7	170.1	0	0	0	0	0	113.7	P664 F665 L673 I679	P664-A667 WeakPolarHBondContact O-CB 3.42Å; P664-A667 PolarHBondContact O-N 3.26Å; F665-A667 PolarHBondContact O-N 2.66Å; F665-A667 VanDerWaalsContact O-N 3.07Å; A667-L673 HydrophobicContact CB-CD1 4.36Å; A667-I679 HydrophobicContact CB-CD1 3.85Å; A667-I679 HydrophobicContact CB-CG1 4.25Å
668	C	46.3	Very low	44	Very low	32 Å²	32	86.3 Å²	86.3	22%	0.216	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-29.4	179.4	-59.1	0	0	0	0	113.2	G595 C596 F665 H666 G670	G595-C668 PolarHBondContact O-SG 3.5Å; G595-C668 VanDerWaalsContact O-SG 3.32Å; C596-C668 WeakPolarHBondContact CA-SG 3.44Å; C596-C668 HydrophobicContact CB-CB 3.44Å; C596-C668 VanDerWaalsContact CB-CB 3.44Å; C596-C668 WeakPolarHBondContact CB-SG 3.44Å; C596-C668 WeakPolarHBondContact SG-CB 3.46Å; C596-C668 CovalentContact SG-SG 2.03Å; C596-C668 PolarHBondContact SG-SG 3.28Å; F665-C668 WeakPolarHBondContact O-CB 3.19Å; F665-C668 PolarHBondContact O-N 2.98Å; H666-C668 PolarHBondContact O-N 2.86Å; C668-G670 PolarHBondContact O-N 2.79Å
669	T	41.6	Very low	43.2	Very low	66 Å²	66	82.5 Å²	82.5	41%	0.405	48%	0.481	S	S	.	.	S	Bend	trans	-76.5	99.9	169.6	44.5	0	0	0	0	108.5	H666 E671	H666-T669 WeakPolarHBondContact CA-OG1 3.14Å; H666-T669 PolarHBondContact O-OG1 3.43Å; T669-E671 PolarHBondContact O-N 2.91Å
670	G	34.2	Very low	42	Very low	87 Å²	87	85 Å²	85	90%	0.897	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	27.2	-173.5	0	0	0	0	0	116.4	C668	C668-G670 PolarHBondContact O-N 2.79Å
671	E	32.1	Very low	40.7	Very low	171 Å²	171	84.6 Å²	84.6	80%	0.799	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-32.1	-170.6	-63.1	174.5	148.3	0	0	112.4	T669	T669-E671 PolarHBondContact O-N 2.91Å
672	T	26.9	Very low	39	Very low	106 Å²	106	82.9 Å²	82.9	65%	0.65	50%	0.502	S	S	*	.	S	Bend	trans	-147.3	62.6	-166.7	47.8	0	0	0	0	115.5
673	L	30.4	Very low	37.3	Very low	83 Å²	83	86 Å²	86	44%	0.435	52%	0.517	S	S	.	.			trans	-151.6	95.4	165.9	-109.4	156.9	0	0	0	113.2	H666 A667 N675	H666-L673 HydrophobicContact CB-CD1 4.47Å; A667-L673 HydrophobicContact CB-CD1 4.36Å; L673-N675 HydrophobicContact CD2-CB 4.31Å; L673-N675 PolarHBondContact O-N 3.28Å
674	A	28.5	Very low	35.9	Very low	92 Å²	92	90.4 Å²	90.4	76%	0.76	54%	0.543	S	S	*	.	S	Bend	trans	-67.8	-8.1	174.2	0	0	0	0	0	114.1
675	N	32.2	Very low	35	Very low	129 Å²	129	96 Å²	96	69%	0.69	56%	0.56	S	S	*	*	S	Bend	trans	-109.9	83.6	170.5	-75.8	-38.5	0	0	0	109.2	L673 S677	L673-N675 HydrophobicContact CD2-CB 4.31Å; L673-N675 PolarHBondContact O-N 3.28Å; N675-S677 PolarHBondContact O-N 3.33Å
676	S	25.3	Very low	34.3	Very low	109 Å²	109	100.6 Å²	100.6	76%	0.762	59%	0.589	S	S	*	*			trans	-77.3	56	179.3	53.9	0	0	0	0	112.8	R678	S676-R678 PolarHBondContact O-N 3.47Å
677	S	28.1	Very low	34.3	Very low	97 Å²	97	97.5 Å²	97.5	68%	0.678	58%	0.583	S	S	*	*			trans	-63.9	89	164	58.5	0	0	0	0	108.7	N675 I679	N675-S677 PolarHBondContact O-N 3.33Å; S677-I679 PolarHBondContact O-N 2.97Å
678	R	33.9	Very low	34.9	Very low	201 Å²	201	97.3 Å²	97.3	76%	0.758	58%	0.577	S	S	*	*			trans	-46.8	130	169.7	-77.9	-177.3	169	-176	-3.4	108.1	S676 A680	S676-R678 PolarHBondContact O-N 3.47Å; R678-A680 PolarHBondContact O-N 2.96Å
679	I	33.3	Very low	35.5	Very low	69 Å²	69	99.5 Å²	99.5	35%	0.354	59%	0.589	S	S	.	*			trans	-74.4	82.2	-176.7	-48.8	164.6	0	0	0	108.4	P663 A667 S677 V681	P663-I679 HydrophobicContact CB-CD1 3.71Å; P663-I679 HydrophobicContact CB-CG1 4.32Å; P663-I679 HydrophobicContact CB-CG2 3.74Å; P663-I679 HydrophobicContact CG-CG2 3.72Å; A667-I679 HydrophobicContact CB-CD1 3.85Å; A667-I679 HydrophobicContact CB-CG1 4.25Å; S677-I679 PolarHBondContact O-N 2.97Å; I679-V681 HydrophobicContact CB-CG2 4.49Å; I679-V681 HydrophobicContact CG2-CG2 3.48Å; I679-V681 VanDerWaalsContact CG2-CG2 3.48Å; I679-V681 PolarHBondContact O-N 3.41Å
680	A	30.5	Very low	36.9	Very low	71 Å²	71	99.3 Å²	99.3	59%	0.587	58%	0.583	S	S	*	*			trans	-73.5	73.2	171	0	0	0	0	0	109.2	R678 T682	R678-A680 PolarHBondContact O-N 2.96Å; A680-T682 PolarHBondContact O-N 3.49Å
681	V	33	Very low	38.6	Very low	42 Å²	42	98.4 Å²	98.4	26%	0.255	56%	0.564	S	S	.	*			trans	-70.5	97.6	171.7	-147.9	0	0	0	0	107.7	M574 F646 P663 I679 M683	M574-V681 HydrophobicContact CE-CG2 4.5Å; F646-V681 HydrophobicContact CE2-CG1 4.45Å; F646-V681 HydrophobicContact CZ-CG1 4.4Å; P663-V681 HydrophobicContact CG-CG2 4.48Å; I679-V681 HydrophobicContact CB-CG2 4.49Å; I679-V681 HydrophobicContact CG2-CG2 3.48Å; I679-V681 VanDerWaalsContact CG2-CG2 3.48Å; I679-V681 PolarHBondContact O-N 3.41Å; V681-M683 HydrophobicContact CB-CG 3.71Å; V681-M683 HydrophobicContact CB-SD 4.38Å; V681-M683 HydrophobicContact CG1-CE 3.82Å; V681-M683 HydrophobicContact CG1-CG 3.53Å; V681-M683 HydrophobicContact CG1-SD 3.75Å; V681-M683 PolarHBondContact O-N 2.85Å
682	T	30.8	Very low	40.6	Very low	101 Å²	101	92 Å²	92	62%	0.62	54%	0.536	S	S	*	.			trans	-72	69.9	171.7	37	0	0	0	0	110	A680 T684	A680-T682 PolarHBondContact O-N 3.49Å; T682-T684 PolarHBondContact O-N 2.89Å
683	M	34.1	Very low	42.5	Very low	80 Å²	80	95.1 Å²	95.1	39%	0.394	54%	0.536	S	S	.	.			trans	-72.1	98.5	-173.2	-63.5	-109	71.8	0	0	111.5	F646 P660 V681 K685	F646-M683 HydrophobicContact CB-CE 3.93Å; F646-M683 HydrophobicContact CB-SD 3.52Å; F646-M683 VanDerWaalsContact CB-SD 3.52Å; F646-M683 HydrophobicContact CD1-SD 3.83Å; F646-M683 HydrophobicContact CD2-CE 3.56Å; F646-M683 HydrophobicContact CD2-SD 3.75Å; F646-M683 HydrophobicContact CE1-SD 4.37Å; F646-M683 HydrophobicContact CE2-CE 4.18Å; F646-M683 HydrophobicContact CE2-SD 4.34Å; F646-M683 HydrophobicContact CG-CE 3.86Å; F646-M683 HydrophobicContact CG-SD 3.46Å; F646-M683 WeakPolarHBondContact CG-SD 3.33Å; P660-M683 HydrophobicContact CG-CE 4.13Å; V681-M683 HydrophobicContact CB-CG 3.71Å; V681-M683 HydrophobicContact CB-SD 4.38Å; V681-M683 HydrophobicContact CG1-CE 3.82Å; V681-M683 HydrophobicContact CG1-CG 3.53Å; V681-M683 HydrophobicContact CG1-SD 3.75Å; V681-M683 PolarHBondContact O-N 2.85Å; M683-K685 PolarHBondContact O-N 3.33Å; M683-K685 VanDerWaalsContact O-N 3.13Å
684	T	32.7	Very low	44.5	Very low	112 Å²	112	91.3 Å²	91.3	69%	0.687	52%	0.516	S	S	*	.			trans	-71.2	101.2	166.7	48.8	0	0	0	0	110.6	T682	T682-T684 PolarHBondContact O-N 2.89Å
685	K	39.3	Very low	46.3	Very low	192 Å²	192	88.6 Å²	88.6	84%	0.835	49%	0.493	S	S	*	.	S	Bend	trans	70.4	128.7	169.4	-75.2	-178	173.9	177	0	118.2	M683	M683-K685 PolarHBondContact O-N 3.33Å; M683-K685 VanDerWaalsContact O-N 3.13Å
686	V	40.6	Very low	47.9	Very low	117 Å²	117	82.5 Å²	82.5	71%	0.709	46%	0.461	S	S	*	.			trans	60.8	99.3	154.7	-173.3	0	0	0	0	116.2	V688	V686-V688 HydrophobicContact CG1-CG2 4.37Å
687	A	45.1	Very low	50	Low	44 Å²	44	78.5 Å²	78.5	36%	0.364	43%	0.432	S	S	.	.			trans	-75.5	132.4	146.5	0	0	0	0	0	108.6	E644 F645 V689	E644-A687 HydrophobicContact CB-CB 3.8Å; E644-A687 HydrophobicContact CG-CB 4Å; F645-A687 WeakPolarHBondContact O-CA 3.4Å; F645-A687 WeakPolarHBondContact O-CB 3.48Å; A687-V689 PolarHBondContact O-N 2.75Å
688	V	54.1	Low	51.6	Low	43 Å²	43	76.1 Å²	76.1	26%	0.261	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116	168.3	-179.2	0	0	0	0	106.9	H527 F645 V686 Q690	H527-V688 HydrophobicContact CB-CB 4.38Å; F645-V688 PolarHBondContact N-O 2.8Å; V686-V688 HydrophobicContact CG1-CG2 4.37Å; V688-Q690 HydrophobicContact CG1-CG 4.27Å; V688-Q690 PolarHBondContact O-N 3.04Å
689	V	58.1	Low	53	Low	78 Å²	78	69.9 Å²	69.9	47%	0.473	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.6	167.9	-176.2	0	0	0	0	107.1	W577 C643 E644 A687	W577-V689 HydrophobicContact CH2-CG1 4.23Å; W577-V689 HydrophobicContact CH2-CG2 4.45Å; W577-V689 HydrophobicContact CZ2-CG1 4.34Å; C643-V689 WeakPolarHBondContact O-CA 3.49Å; E644-V689 HydrophobicContact CG-CG2 3.79Å; A687-V689 PolarHBondContact O-N 2.75Å
690	Q	71.1	Confident	54.3	Low	61 Å²	61	73.9 Å²	73.9	29%	0.285	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.3	164	-76.5	-66.7	5.7	0	0	109.6	H527 I529 S642 C643 V688	H527-Q690 WeakPolarHBondContact O-CG 3.4Å; H527-Q690 PolarHBondContact O-NE2 2.93Å; I529-Q690 HydrophobicContact CD1-CB 3.5Å; I529-Q690 WeakPolarHBondContact CD1-O 3.43Å; I529-Q690 HydrophobicContact CG1-CB 3.62Å; S642-Q690 CarbonylContact C-O 3.59Å; S642-Q690 VanDerWaalsContact CA-O 3.31Å; S642-Q690 WeakPolarHBondContact CA-O 3.38Å; C643-Q690 PolarHBondContact N-O 3.4Å; C643-Q690 PolarHBondContact O-N 3.21Å; V688-Q690 HydrophobicContact CG1-CG 4.27Å; V688-Q690 PolarHBondContact O-N 3.04Å
691	S	71.3	Confident	55.2	Low	69 Å²	69	80.3 Å²	80.3	48%	0.483	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.5	174.7	62.6	0	0	0	0	112.9	I641 S642	I641-S691 CarbonylContact O-C 3.56Å; I641-S691 WeakPolarHBondContact O-CA 3.46Å; I641-S691 WeakPolarHBondContact O-CB 3.28Å; S642-S691 WeakPolarHBondContact OG-CB 3.23Å
692	V	73.1	Confident	55.5	Low	37 Å²	37	84.9 Å²	84.9	22%	0.224	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.4	176.7	-176.6	0	0	0	0	108.5	I529 L531 I641	I529-V692 HydrophobicContact CB-CG2 3.85Å; I529-V692 HydrophobicContact CD1-CG2 4.42Å; I529-V692 HydrophobicContact CG2-CG2 3.62Å; L531-V692 HydrophobicContact CD1-CG1 3.87Å; I641-V692 PolarHBondContact N-O 3.25Å; I641-V692 PolarHBondContact O-N 3.26Å
693	R	68.2	Low	55.4	Low	171 Å²	171	89.9 Å²	89.9	65%	0.645	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.3	173.9	-91.1	176.8	169.1	168.8	-3.8	110.8	E581 T640	E581-R693 IonicContact OE1-CZ 3Å; E581-R693 VanDerWaalsContact OE1-CZ 3.24Å; E581-R693 IonicContact OE1-NE 3.77Å; E581-R693 PolarHBondContact OE1-NE 3.4Å; E581-R693 IonicContact OE1-NH2 3.56Å; E581-R693 PolarHBondContact OE1-NH2 3.34Å; E581-R693 IonicContact OE2-CZ 3.28Å; E581-R693 IonicContact OE2-NE 3.46Å; E581-R693 IonicContact OE2-NH2 3.24Å; E581-R693 PolarHBondContact OE2-NH2 3.01Å; T640-R693 HydrophobicContact CG2-CG 4.46Å; T640-R693 WeakPolarHBondContact OG1-CG 3.32Å
694	L	71.6	Confident	55.1	Low	3 Å²	3	89.5 Å²	89.5	2%	0.016	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.9	178.2	-68.1	163.5	0	0	0	109.2	L531 M544 M553 S638 L639 I641	L531-L694 HydrophobicContact CD1-CD1 4.39Å; L531-L694 HydrophobicContact CD1-CD2 3.87Å; L531-L694 HydrophobicContact CD1-CG 4.48Å; M544-L694 HydrophobicContact CG-CD2 4.44Å; M544-L694 VanDerWaalsContact O-CD2 3.23Å; M544-L694 WeakPolarHBondContact O-CD2 3.12Å; M553-L694 HydrophobicContact CE-CD1 3.56Å; M553-L694 HydrophobicContact CE-CD2 3.82Å; M553-L694 HydrophobicContact CE-CG 4.33Å; M553-L694 HydrophobicContact SD-CD1 3.52Å; M553-L694 VanDerWaalsContact SD-CD1 3.52Å; S638-L694 CarbonylContact C-O 3.57Å; S638-L694 WeakPolarHBondContact CA-O 3.29Å; L639-L694 HydrophobicContact CD2-CD1 4.25Å; L639-L694 PolarHBondContact N-O 3.26Å; L639-L694 PolarHBondContact O-N 2.99Å; I641-L694 HydrophobicContact CD1-CD1 3.5Å; I641-L694 VanDerWaalsContact CD1-CD1 3.5Å; I641-L694 HydrophobicContact CG1-CD1 4.05Å
695	A	65.3	Low	55	Low	34 Å²	34	89.9 Å²	89.9	28%	0.281	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.6	161.4	0	0	0	0	0	108.7	Q545 E546 A547 Q637	Q545-A695 PolarHBondContact O-N 3.08Å; E546-A695 WeakPolarHBondContact CA-O 3.06Å; A547-A695 PolarHBondContact N-O 3.4Å; Q637-A695 WeakPolarHBondContact O-CA 3.48Å
696	L	67.1	Low	54.5	Low	2 Å²	2	87.4 Å²	87.4	1%	0.01	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.3	168.2	-76.9	111	0	0	0	111.2	A547 L549 L623 I628 F631 Q637 L639	A547-L696 WeakPolarHBondContact O-CA 3.48Å; L549-L696 HydrophobicContact CD1-CD2 4Å; L623-L696 HydrophobicContact CB-CD2 4.5Å; I628-L696 HydrophobicContact CD1-CD1 3.67Å; I628-L696 HydrophobicContact CD1-CD2 3.34Å; I628-L696 HydrophobicContact CD1-CG 4.14Å; F631-L696 HydrophobicContact CD2-CB 4.09Å; F631-L696 HydrophobicContact CE2-CB 3.53Å; F631-L696 HydrophobicContact CZ-CB 4.38Å; Q637-L696 PolarHBondContact O-N 3.19Å; L639-L696 HydrophobicContact CB-CD1 3.44Å; L639-L696 VanDerWaalsContact CB-CD1 3.44Å; L639-L696 HydrophobicContact CD1-CD1 3.98Å; L639-L696 HydrophobicContact CD2-CD1 4.21Å; L639-L696 HydrophobicContact CG-CD1 4.08Å
697	V	69.4	Low	54.1	Low	24 Å²	24	89.2 Å²	89.2	15%	0.145	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.9	-179.8	-173.9	0	0	0	0	108	E546 A547 E548 L549	E546-V697 HydrophobicContact CB-CG2 3.81Å; E546-V697 HydrophobicContact CG-CG2 3.69Å; A547-V697 PolarHBondContact O-N 2.96Å; E548-V697 WeakPolarHBondContact CA-O 3.03Å; L549-V697 PolarHBondContact N-O 3.2Å; L549-V697 VanDerWaalsContact N-O 3.07Å
698	P	62.2	Low	53.5	Low	47 Å²	47	95.8 Å²	95.8	31%	0.305	52%	0.515	S	S	.	.			trans	-59.1	148.7	171.8	25.3	-34.6	0	0	0	111	R700	P698-R700 PolarHBondContact O-N 3.28Å
699	P	63.3	Low	52.4	Low	71 Å²	71	100.4 Å²	100.4	46%	0.461	54%	0.538	S	S	.	.			trans	-61.6	130.1	-177.2	25.4	-33.7	0	0	0	110.6	K701	P699-K701 PolarHBondContact O-N 2.95Å; P699-K701 VanDerWaalsContact O-N 3.15Å
700	R	60.6	Low	50.8	Low	153 Å²	153	102.2 Å²	102.2	58%	0.577	55%	0.553	S	S	*	*			trans	-71.4	111.9	-176.1	-64.3	179.4	-171.6	-159.3	-0.1	109.7	E546 E548 P698 T702	E546-R700 IonicContact OE2-NH2 3.98Å; E546-R700 PolarHBondContact OE2-NH2 3.23Å; E548-R700 WeakPolarHBondContact OE1-CD 3.47Å; E548-R700 WeakPolarHBondContact OE1-CG 3.25Å; E548-R700 IonicContact OE1-CZ 3.48Å; E548-R700 IonicContact OE1-NE 3.43Å; E548-R700 PolarHBondContact OE1-NE 3.04Å; E548-R700 VanDerWaalsContact OE1-NE 3.13Å; E548-R700 PolarHBondContact OE2-N 3.47Å; P698-R700 PolarHBondContact O-N 3.28Å; R700-T702 PolarHBondContact O-N 2.93Å
701	K	47.8	Very low	48.7	Very low	206 Å²	206	104.9 Å²	104.9	90%	0.896	58%	0.579	S	S	*	*			trans	-64.2	95.7	174.8	-69.6	-176.7	-178.5	176.6	0	110.4	P699 K703	P699-K701 PolarHBondContact O-N 2.95Å; P699-K701 VanDerWaalsContact O-N 3.15Å; K701-K703 PolarHBondContact O-N 3.23Å
702	T	39.2	Very low	46.7	Very low	137 Å²	137	108.4 Å²	108.4	84%	0.84	60%	0.597	S	S	*	*			trans	-64	110.7	169.9	45.6	0	0	0	0	109.7	R700	R700-T702 PolarHBondContact O-N 2.93Å
703	K	30.2	Very low	44.5	Very low	206 Å²	206	115.9 Å²	115.9	90%	0.896	63%	0.629	S	S	*	*			trans	-74	133.2	167.9	-74.1	-175.3	173.5	-174.5	0	109.5	K701	K701-K703 PolarHBondContact O-N 3.23Å
704	G	26.6	Very low	42.6	Very low	73 Å²	73	113.6 Å²	113.6	75%	0.753	64%	0.638	S	S	*	*			trans	66.9	87.5	154.4	0	0	0	0	0	116.9
705	S	30.1	Very low	40.6	Very low	120 Å²	120	121.2 Å²	121.2	84%	0.839	68%	0.678	S	S	*	*				-134.5	131.6	113	-171.1	0	0	0	0	106.5
706	D	29.5	Very low	38.9	Very low	140 Å²	140	129.6 Å²	129.6	75%	0.749	71%	0.708	S	S	*	*			trans	-78.6	-174.8	164.7	-60.3	-74.6	0	0	0	109.2
707	D	32	Very low	37.2	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	74%	0.74	S	S	*	*			trans	79.5	111.3	176.1	-56.4	-25.6	0	0	0	119
708	E	33.4	Very low	35.5	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	77%	0.769	S	S	*	*			trans	77.2	114.3	147.7	-57.4	-166.3	158.2	0	0	123.4
709	D	29.8	Very low	33.9	Very low	140 Å²	140	145.8 Å²	145.8	75%	0.749	79%	0.79	S	S	*	*			trans	75	105.5	135.3	-77.3	19.5	0	0	0	124.6
710	C	26.2	Very low	32.2	Very low	115 Å²	115	148.8 Å²	148.8	78%	0.777	80%	0.802	S	S	*	*				63.8	89.8	125.7	-65.7	0	0	0	0	119.8
711	S	25.6	Very low	30.8	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	81%	0.812	S	S	*	*	S	Bend		-174.8	47.1	107.8	64.7	0	0	0	0	115.3
712	V	29.6	Very low	29.8	Very low	142 Å²	142	147.4 Å²	147.4	86%	0.861	81%	0.81	S	S	*	*			trans	-138	77.2	171.8	-169	0	0	0	0	112.1
713	Q	27.7	Very low	29.5	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	80%	0.801	S	S	*	*			trans	-141.2	102.2	165.4	-83.7	-171.4	-12.2	0	0	110.8
714	C	28.1	Very low	29.4	Very low	124 Å²	124	143.7 Å²	143.7	84%	0.838	80%	0.8	S	S	*	*	S	Bend	trans	169.7	114.6	160.6	-101.6	0	0	0	0	106.5
715	L	30.1	Very low	29.5	Very low	162 Å²	162	144 Å²	144	85%	0.848	80%	0.804	S	S	*	*	S	Bend	cis	-121.9	139.5	-3.8	-68.5	77.2	0	0	0	108.8
716	K	28.4	Very low	29.3	Very low	211 Å²	211	145.6 Å²	145.6	92%	0.917	81%	0.808	S	S	*	*			trans	-157.1	73.7	165.2	-139.9	-175.5	-174.7	-168.8	0	112.6
717	T	31.9	Very low	29.2	Very low	110 Å²	110	142.3 Å²	142.3	68%	0.675	81%	0.807	S	S	*	*			trans	-145.2	135.6	171.8	11.5	0	0	0	0	105.2
718	D	32.4	Very low	29	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	81%	0.812	S	S	*	*			cis	-113.4	160.4	7.4	-52.6	-56.9	0	0	0	109.6
719	Q	28.8	Very low	28.7	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	81%	0.812	S	S	*	*			cis	56.4	136.3	46	-62.4	-159.2	18.1	0	0	113.1
720	L	29.1	Very low	28.8	Very low	134 Å²	134	138.6 Å²	138.6	70%	0.702	82%	0.815	S	S	*	*			cis	-144.8	141.8	-18.6	-145.4	70.1	0	0	0	104.2
721	D	30.8	Very low	28.9	Very low	146 Å²	146	136.2 Å²	136.2	78%	0.781	81%	0.81	S	S	*	*				177.2	164	94.4	-87	-30.9	0	0	0	111.4
722	Q	27.2	Very low	29.4	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	81%	0.811	S	S	*	*			trans	-116.4	166.1	164.8	-85.7	-171.4	-15.1	0	0	108.3
723	P	33	Very low	29.8	Very low	101 Å²	101	135.2 Å²	135.2	66%	0.656	80%	0.795	S	S	*	*			cis	-143.3	-173.3	25.1	43.4	-23.9	0	0	0	116.7
724	N	26.7	Very low	30.2	Very low	164 Å²	164	128.3 Å²	128.3	88%	0.877	78%	0.777	S	S	*	*			trans	38	91.6	149.3	-62.5	-5.2	0	0	0	118.8
725	G	29.1	Very low	30.8	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	77%	0.773	S	S	*	*			trans	-146.2	133.3	161.7	0	0	0	0	0	111.2
726	T	26.7	Very low	31.6	Very low	152 Å²	152	128.4 Å²	128.4	93%	0.933	76%	0.76	S	S	*	*			trans	-89	131.8	174.8	47.1	0	0	0	0	111.3
727	G	26.4	Very low	32.3	Very low	71 Å²	71	121.4 Å²	121.4	73%	0.732	74%	0.741	S	S	*	*			trans	121.8	160.2	158	0	0	0	0	0	116.6
728	E	28.2	Very low	33.6	Very low	201 Å²	201	120.2 Å²	120.2	94%	0.939	73%	0.733	S	S	*	*			trans	54.7	102.8	160.2	-51.9	-159.3	130.6	0	0	118.5
729	G	27.1	Very low	35.1	Very low	81 Å²	81	114.8 Å²	114.8	84%	0.835	71%	0.711	S	S	*	*			trans	-80.1	125.5	176.2	0	0	0	0	0	113.3	G731	G729-G731 VanDerWaalsContact C-N 3.29Å; G729-G731 PolarHBondContact O-N 3.35Å
730	S	31.6	Very low	36.8	Very low	118 Å²	118	111.6 Å²	111.6	83%	0.825	70%	0.702	S	S	*	*			trans	-73.2	77.5	172.8	60.9	0	0	0	0	111.8	V732	S730-V732 PolarHBondContact O-N 3.22Å; S730-V732 VanDerWaalsContact O-N 3.13Å
731	G	28.8	Very low	38.2	Very low	64 Å²	64	111.9 Å²	111.9	66%	0.66	70%	0.702	S	S	*	*			trans	-60.8	111.6	177.1	0	0	0	0	0	112.1	G729 N733	G729-G731 VanDerWaalsContact C-N 3.29Å; G729-G731 PolarHBondContact O-N 3.35Å; G731-N733 PolarHBondContact O-N 3.1Å
732	V	35.8	Very low	40.1	Very low	142 Å²	142	109.2 Å²	109.2	86%	0.861	69%	0.687	S	S	*	*			trans	-68.3	98.1	174.5	-179.3	0	0	0	0	108.6	S730 G734	S730-V732 PolarHBondContact O-N 3.22Å; S730-V732 VanDerWaalsContact O-N 3.13Å; V732-G734 PolarHBondContact O-N 3.38Å
733	N	38.1	Very low	42.3	Very low	97 Å²	97	105.5 Å²	105.5	52%	0.519	68%	0.676	S	S	.	*			trans	-37.1	118.4	-168.3	-97.7	-53	0	0	0	114.8	G731 Y735 V736	G731-N733 PolarHBondContact O-N 3.1Å; N733-Y735 PolarHBondContact O-N 2.87Å; N733-Y735 VanDerWaalsContact O-N 3.11Å; N733-V736 HydrophobicContact CB-CG2 3.95Å; N733-V736 WeakPolarHBondContact O-CB 3.25Å; N733-V736 PolarHBondContact O-N 2.93Å
734	G	36.7	Very low	43.9	Very low	50 Å²	50	103.7 Å²	103.7	52%	0.515	67%	0.666	S	S	.	*	H	α-helix	trans	-56.1	-27.5	170.2	0	0	0	0	0	112.9	V732 V736 A737 V738	V732-G734 PolarHBondContact O-N 3.38Å; G734-V736 PolarHBondContact O-N 3.3Å; G734-A737 PolarHBondContact O-N 3.25Å; G734-A737 VanDerWaalsContact O-N 3.14Å; G734-V738 WeakPolarHBondContact O-CG2 3.47Å; G734-V738 PolarHBondContact O-N 3.46Å
735	Y	39.4	Very low	46.1	Very low	195 Å²	195	101.9 Å²	101.9	77%	0.765	65%	0.651	S	S	*	*	H	α-helix	trans	-56.3	-30.4	170.2	-64.5	-77.5	0	0	0	113.9	N733 G739	N733-Y735 PolarHBondContact O-N 2.87Å; N733-Y735 VanDerWaalsContact O-N 3.11Å; Y735-G739 PolarHBondContact O-N 3.15Å
736	V	46.6	Very low	48.2	Very low	93 Å²	93	104.4 Å²	104.4	56%	0.564	64%	0.639	S	S	*	*	H	α-helix	trans	-72.8	-43.2	175.6	-178.9	0	0	0	0	110.4	N733 G734 G739 V740	N733-V736 HydrophobicContact CB-CG2 3.95Å; N733-V736 WeakPolarHBondContact O-CB 3.25Å; N733-V736 PolarHBondContact O-N 2.93Å; G734-V736 PolarHBondContact O-N 3.3Å; V736-G739 PolarHBondContact O-N 3.1Å; V736-V740 WeakPolarHBondContact O-CG2 3.49Å; V736-V740 PolarHBondContact O-N 3.46Å
737	A	44.8	Very low	50.4	Low	63 Å²	63	99.5 Å²	99.5	52%	0.521	62%	0.615	S	S	.	*	H	α-helix	trans	-63.6	-42.5	175.4	0	0	0	0	0	111.8	G734 V740 M741	G734-A737 PolarHBondContact O-N 3.25Å; G734-A737 VanDerWaalsContact O-N 3.14Å; A737-V740 PolarHBondContact O-N 3.29Å; A737-M741 WeakPolarHBondContact O-CB 3.39Å; A737-M741 VanDerWaalsContact O-CG 3.28Å; A737-M741 WeakPolarHBondContact O-CG 3.25Å; A737-M741 PolarHBondContact O-N 2.98Å
738	V	59.1	Low	52.4	Low	85 Å²	85	98.2 Å²	98.2	52%	0.515	60%	0.601	S	S	.	*	H	α-helix	trans	-64	-40.5	173	173.8	0	0	0	0	111.2	G734 M741 L742	G734-V738 WeakPolarHBondContact O-CG2 3.47Å; G734-V738 PolarHBondContact O-N 3.46Å; V738-M741 PolarHBondContact O-N 3.43Å; V738-L742 HydrophobicContact CG1-CD1 3.98Å; V738-L742 HydrophobicContact CG1-CG 4.47Å; V738-L742 WeakPolarHBondContact O-CB 3.48Å; V738-L742 WeakPolarHBondContact O-CG 3.46Å; V738-L742 PolarHBondContact O-N 3.21Å
739	G	63.1	Low	54.6	Low	29 Å²	29	93.9 Å²	93.9	30%	0.299	58%	0.582	S	S	.	*	H	α-helix	trans	-60.6	-46	175	0	0	0	0	0	112.8	Y735 V736 L742 V743	Y735-G739 PolarHBondContact O-N 3.15Å; V736-G739 PolarHBondContact O-N 3.1Å; G739-L742 PolarHBondContact O-N 3.03Å; G739-V743 WeakPolarHBondContact O-CB 3.35Å; G739-V743 WeakPolarHBondContact O-CG2 3.23Å; G739-V743 PolarHBondContact O-N 2.9Å
740	V	64.1	Low	56.7	Low	93 Å²	93	93.6 Å²	93.6	56%	0.564	57%	0.565	S	S	*	*	H	α-helix	trans	-64.4	-40.4	175.9	171.7	0	0	0	0	111.6	V736 A737 S744	V736-V740 WeakPolarHBondContact O-CG2 3.49Å; V736-V740 PolarHBondContact O-N 3.46Å; A737-V740 PolarHBondContact O-N 3.29Å; V740-S744 WeakPolarHBondContact O-CB 3.37Å; V740-S744 PolarHBondContact O-N 3.19Å; V740-S744 PolarHBondContact O-OG 3.31Å
741	M	58.4	Low	58.7	Low	141 Å²	141	92 Å²	92	70%	0.695	55%	0.549	S	S	*	.	H	α-helix	trans	-62.2	-41.2	173.6	-74.5	-80.7	-80.8	0	0	112.4	A737 V738 S744 F745	A737-M741 WeakPolarHBondContact O-CB 3.39Å; A737-M741 VanDerWaalsContact O-CG 3.28Å; A737-M741 WeakPolarHBondContact O-CG 3.25Å; A737-M741 PolarHBondContact O-N 2.98Å; V738-M741 PolarHBondContact O-N 3.43Å; M741-S744 WeakPolarHBondContact CA-OG 3.49Å; M741-S744 PolarHBondContact O-OG 2.65Å; M741-S744 VanDerWaalsContact O-OG 3.11Å; M741-F745 VanDerWaalsContact O-CB 3.3Å; M741-F745 WeakPolarHBondContact O-CB 3.49Å; M741-F745 PolarHBondContact O-N 3.18Å
742	L	72.1	Confident	60.5	Low	90 Å²	90	91.5 Å²	91.5	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-69.1	-46.7	176.5	-74.1	168.5	0	0	0	112	V738 G739 S744 F745 F746	V738-L742 HydrophobicContact CG1-CD1 3.98Å; V738-L742 HydrophobicContact CG1-CG 4.47Å; V738-L742 WeakPolarHBondContact O-CB 3.48Å; V738-L742 WeakPolarHBondContact O-CG 3.46Å; V738-L742 PolarHBondContact O-N 3.21Å; G739-L742 PolarHBondContact O-N 3.03Å; L742-S744 PolarHBondContact O-N 3.01Å; L742-F745 PolarHBondContact O-N 3.42Å; L742-F746 HydrophobicContact CD2-CE2 4.5Å; L742-F746 WeakPolarHBondContact O-CD2 3.45Å; L742-F746 PolarHBondContact O-N 3.5Å
743	V	72.6	Confident	62	Low	105 Å²	105	87 Å²	87	64%	0.636	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-42.3	179.4	170.5	0	0	0	0	111.1	G739 F746 A747	G739-V743 WeakPolarHBondContact O-CB 3.35Å; G739-V743 WeakPolarHBondContact O-CG2 3.23Å; G739-V743 PolarHBondContact O-N 2.9Å; V743-F746 PolarHBondContact O-N 2.89Å; V743-A747 VanDerWaalsContact O-CB 3.28Å; V743-A747 WeakPolarHBondContact O-CB 3.46Å; V743-A747 PolarHBondContact O-N 3.29Å
744	S	66.9	Low	63.6	Low	63 Å²	63	86.6 Å²	86.6	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-36.8	175.2	53.5	0	0	0	0	112.8	V740 M741 L742 A747 G748	V740-S744 WeakPolarHBondContact O-CB 3.37Å; V740-S744 PolarHBondContact O-N 3.19Å; V740-S744 PolarHBondContact O-OG 3.31Å; M741-S744 WeakPolarHBondContact CA-OG 3.49Å; M741-S744 PolarHBondContact O-OG 2.65Å; M741-S744 VanDerWaalsContact O-OG 3.11Å; L742-S744 PolarHBondContact O-N 3.01Å; S744-A747 PolarHBondContact O-N 3.38Å; S744-G748 PolarHBondContact O-N 3.4Å
745	F	72.6	Confident	65	Low	127 Å²	127	89.2 Å²	89.2	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-62.9	-48.4	172.8	-179.7	-95.6	0	0	0	112.3	M741 L742 A747 G748 M749	M741-F745 VanDerWaalsContact O-CB 3.3Å; M741-F745 WeakPolarHBondContact O-CB 3.49Å; M741-F745 PolarHBondContact O-N 3.18Å; L742-F745 PolarHBondContact O-N 3.42Å; F745-A747 PolarHBondContact O-N 3.01Å; F745-G748 PolarHBondContact O-N 3.08Å; F745-M749 HydrophobicContact CD1-CG 4.31Å; F745-M749 HydrophobicContact CE1-CG 3.93Å; F745-M749 HydrophobicContact CE2-CG 4.48Å; F745-M749 HydrophobicContact CZ-CG 4.03Å; F745-M749 HydrophobicContact CZ-SD 4.41Å; F745-M749 WeakPolarHBondContact O-CG 3.5Å; F745-M749 PolarHBondContact O-N 3.07Å
746	F	72.9	Confident	66	Low	132 Å²	132	88.3 Å²	88.3	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-65	-38.2	177	-78.1	-66	0	0	0	112.2	L742 V743 M749 T750	L742-F746 HydrophobicContact CD2-CE2 4.5Å; L742-F746 WeakPolarHBondContact O-CD2 3.45Å; L742-F746 PolarHBondContact O-N 3.5Å; V743-F746 PolarHBondContact O-N 2.89Å; F746-M749 PolarHBondContact O-N 3.08Å; F746-T750 WeakPolarHBondContact O-CB 3.36Å; F746-T750 PolarHBondContact O-N 2.94Å; F746-T750 PolarHBondContact O-OG1 2.99Å
747	A	72.9	Confident	66.8	Low	50 Å²	50	88.5 Å²	88.5	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-61.4	-47.2	173.5	0	0	0	0	0	111.7	V743 S744 F745 M749 T750 V751	V743-A747 VanDerWaalsContact O-CB 3.28Å; V743-A747 WeakPolarHBondContact O-CB 3.46Å; V743-A747 PolarHBondContact O-N 3.29Å; S744-A747 PolarHBondContact O-N 3.38Å; F745-A747 PolarHBondContact O-N 3.01Å; A747-M749 PolarHBondContact O-N 3.19Å; A747-T750 PolarHBondContact O-N 2.6Å; A747-V751 WeakPolarHBondContact O-CG2 3.32Å; A747-V751 PolarHBondContact O-N 3.16Å
748	G	67.9	Low	67.5	Low	44 Å²	44	94.4 Å²	94.4	45%	0.454	52%	0.517	S	S	.	.	H	α-helix	trans	-60.2	-44.3	176	0	0	0	0	0	113.1	S744 F745 T750 V751 A752	S744-G748 PolarHBondContact O-N 3.4Å; F745-G748 PolarHBondContact O-N 3.08Å; G748-T750 VanDerWaalsContact C-N 3.32Å; G748-T750 PolarHBondContact O-N 3.34Å; G748-V751 PolarHBondContact O-N 2.98Å; G748-A752 WeakPolarHBondContact O-CB 3.21Å; G748-A752 PolarHBondContact O-N 3.45Å
749	M	75.4	Confident	67	Low	109 Å²	109	99.6 Å²	99.6	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-62	-38.7	173.8	-73.7	-66.3	-70.1	0	0	112.2	F745 F746 A747 A752 A753	F745-M749 HydrophobicContact CD1-CG 4.31Å; F745-M749 HydrophobicContact CE1-CG 3.93Å; F745-M749 HydrophobicContact CE2-CG 4.48Å; F745-M749 HydrophobicContact CZ-CG 4.03Å; F745-M749 HydrophobicContact CZ-SD 4.41Å; F745-M749 WeakPolarHBondContact O-CG 3.5Å; F745-M749 PolarHBondContact O-N 3.07Å; F746-M749 PolarHBondContact O-N 3.08Å; A747-M749 PolarHBondContact O-N 3.19Å; M749-A752 PolarHBondContact O-N 3.13Å; M749-A753 WeakPolarHBondContact O-CB 3.43Å; M749-A753 PolarHBondContact O-N 3.29Å
750	T	71.2	Confident	66.1	Low	76 Å²	76	100.6 Å²	100.6	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-69.3	-43.3	178.9	-58.5	0	0	0	0	111.4	F746 A747 G748 A752 A753 I754	F746-T750 WeakPolarHBondContact O-CB 3.36Å; F746-T750 PolarHBondContact O-N 2.94Å; F746-T750 PolarHBondContact O-OG1 2.99Å; A747-T750 PolarHBondContact O-N 2.6Å; G748-T750 VanDerWaalsContact C-N 3.32Å; G748-T750 PolarHBondContact O-N 3.34Å; T750-A752 VanDerWaalsContact C-N 3.34Å; T750-A752 PolarHBondContact O-N 2.84Å; T750-A753 PolarHBondContact O-N 3.21Å; T750-I754 HydrophobicContact CG2-CD1 3.94Å; T750-I754 VanDerWaalsContact O-CG1 3.31Å; T750-I754 WeakPolarHBondContact O-CG1 3.48Å; T750-I754 PolarHBondContact O-N 3.3Å
751	V	72.7	Confident	65.3	Low	84 Å²	84	106.8 Å²	106.8	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-62.3	-42.5	173.8	171.4	0	0	0	0	110.7	A747 G748 A753 I754 L755	A747-V751 WeakPolarHBondContact O-CG2 3.32Å; A747-V751 PolarHBondContact O-N 3.16Å; G748-V751 PolarHBondContact O-N 2.98Å; V751-A753 PolarHBondContact O-N 3.35Å; V751-I754 PolarHBondContact O-N 2.87Å; V751-L755 HydrophobicContact CG1-CD1 3.91Å; V751-L755 HydrophobicContact CG1-CG 4.39Å; V751-L755 WeakPolarHBondContact O-CB 3.5Å; V751-L755 VanDerWaalsContact O-CG 3.29Å; V751-L755 WeakPolarHBondContact O-CG 3.19Å; V751-L755 PolarHBondContact O-N 3.31Å
752	A	66.6	Low	64.7	Low	54 Å²	54	108.3 Å²	108.3	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-42.7	174.8	0	0	0	0	0	112.2	G748 M749 T750 L755 W756	G748-A752 WeakPolarHBondContact O-CB 3.21Å; G748-A752 PolarHBondContact O-N 3.45Å; M749-A752 PolarHBondContact O-N 3.13Å; T750-A752 VanDerWaalsContact C-N 3.34Å; T750-A752 PolarHBondContact O-N 2.84Å; A752-L755 PolarHBondContact O-N 3.38Å; A752-W756 WeakPolarHBondContact O-CB 3.31Å; A752-W756 PolarHBondContact O-N 3.26Å
753	A	67.8	Low	63.1	Low	47 Å²	47	107 Å²	107	39%	0.388	55%	0.546	S	S	.	.	H	α-helix	trans	-65.2	-41.2	176	0	0	0	0	0	112.7	M749 T750 V751 W756 L757	M749-A753 WeakPolarHBondContact O-CB 3.43Å; M749-A753 PolarHBondContact O-N 3.29Å; T750-A753 PolarHBondContact O-N 3.21Å; V751-A753 PolarHBondContact O-N 3.35Å; A753-W756 PolarHBondContact O-N 3.1Å; A753-L757 WeakPolarHBondContact O-CB 3.14Å; A753-L757 WeakPolarHBondContact O-CG 3.47Å; A753-L757 PolarHBondContact O-N 3Å
754	I	71.5	Confident	61.3	Low	88 Å²	88	110.6 Å²	110.6	45%	0.451	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-41	176.1	-69.3	167.4	0	0	0	111.2	T750 V751 W756 L757 R758	T750-I754 HydrophobicContact CG2-CD1 3.94Å; T750-I754 VanDerWaalsContact O-CG1 3.31Å; T750-I754 WeakPolarHBondContact O-CG1 3.48Å; T750-I754 PolarHBondContact O-N 3.3Å; V751-I754 PolarHBondContact O-N 2.87Å; I754-W756 VanDerWaalsContact C-N 3.34Å; I754-L757 PolarHBondContact O-N 3.34Å; I754-R758 WeakPolarHBondContact O-CB 3.49Å; I754-R758 PolarHBondContact O-N 3.22Å
755	L	67.4	Low	59.9	Low	105 Å²	105	114.5 Å²	114.5	55%	0.55	57%	0.572	S	S	.	*	H	α-helix	trans	-65.5	-37.4	174	-72.2	171.5	0	0	0	111.7	V751 A752 R759	V751-L755 HydrophobicContact CG1-CD1 3.91Å; V751-L755 HydrophobicContact CG1-CG 4.39Å; V751-L755 WeakPolarHBondContact O-CB 3.5Å; V751-L755 VanDerWaalsContact O-CG 3.29Å; V751-L755 WeakPolarHBondContact O-CG 3.19Å; V751-L755 PolarHBondContact O-N 3.31Å; A752-L755 PolarHBondContact O-N 3.38Å; L755-R759 VanDerWaalsContact O-CB 3.32Å; L755-R759 WeakPolarHBondContact O-CB 3.49Å; L755-R759 PolarHBondContact O-N 3.49Å
756	W	58.7	Low	58.2	Low	177 Å²	177	119.6 Å²	119.6	67%	0.67	59%	0.588	S	S	*	*	H	α-helix	trans	-66.1	-45.2	174.4	-173.8	69.1	0	0	0	111.9	A752 A753 I754 R758 R759 S760	A752-W756 WeakPolarHBondContact O-CB 3.31Å; A752-W756 PolarHBondContact O-N 3.26Å; A753-W756 PolarHBondContact O-N 3.1Å; I754-W756 VanDerWaalsContact C-N 3.34Å; W756-R758 PolarHBondContact O-N 3.21Å; W756-R759 CarbonylContact O-C 3.59Å; W756-R759 PolarHBondContact O-N 2.79Å; W756-S760 PolarHBondContact O-N 2.93Å; W756-S760 PolarHBondContact O-OG 2.76Å
757	L	64.2	Low	56.2	Low	97 Å²	97	121.3 Å²	121.3	51%	0.508	60%	0.595	S	S	.	*	H	α-helix	trans	-65.2	-33.9	175.6	-74.9	166.4	0	0	0	113.5	A753 I754 R759 S760 R761	A753-L757 WeakPolarHBondContact O-CB 3.14Å; A753-L757 WeakPolarHBondContact O-CG 3.47Å; A753-L757 PolarHBondContact O-N 3Å; I754-L757 PolarHBondContact O-N 3.34Å; L757-R759 VanDerWaalsContact C-N 3.32Å; L757-S760 PolarHBondContact O-OG 3.16Å; L757-R761 WeakPolarHBondContact O-CG 3.34Å; L757-R761 PolarHBondContact O-N 3.12Å
758	R	59.3	Low	54.5	Low	187 Å²	187	127.2 Å²	127.2	71%	0.706	61%	0.614	S	S	*	*	H	α-helix	trans	-67.3	-33.6	169.7	-88.6	-176.7	163.9	164.2	-3	112.2	I754 W756	I754-R758 WeakPolarHBondContact O-CB 3.49Å; I754-R758 PolarHBondContact O-N 3.22Å; W756-R758 PolarHBondContact O-N 3.21Å
759	R	49.8	Very low	53.1	Low	194 Å²	194	133 Å²	133	73%	0.732	63%	0.634	S	S	*	*	H	α-helix	trans	-82.6	-36.5	-177	-158.6	170.7	-165	148	4.6	112.9	L755 W756 L757 R761 Q762	L755-R759 VanDerWaalsContact O-CB 3.32Å; L755-R759 WeakPolarHBondContact O-CB 3.49Å; L755-R759 PolarHBondContact O-N 3.49Å; W756-R759 CarbonylContact O-C 3.59Å; W756-R759 PolarHBondContact O-N 2.79Å; L757-R759 VanDerWaalsContact C-N 3.32Å; R759-R761 VanDerWaalsContact C-N 3.3Å; R759-R761 PolarHBondContact O-N 3.11Å; R759-Q762 PolarHBondContact O-N 3.04Å; R759-Q762 VanDerWaalsContact O-N 3.09Å
760	S	43.1	Very low	51.2	Low	49 Å²	49	135.9 Å²	135.9	34%	0.343	64%	0.644	S	S	.	*	H	α-helix	trans	-65.5	-33	174.6	60.4	0	0	0	0	112.3	W756 L757 Q762 S763	W756-S760 PolarHBondContact O-N 2.93Å; W756-S760 PolarHBondContact O-OG 2.76Å; L757-S760 PolarHBondContact O-OG 3.16Å; S760-Q762 PolarHBondContact O-N 3.31Å; S760-S763 PolarHBondContact O-N 3.41Å
761	R	47.7	Very low	49.3	Very low	223 Å²	223	139.8 Å²	139.8	84%	0.842	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	2.6	170.7	-73.4	-176.2	173.9	-175.5	-0.7	115.2	L757 R759	L757-R761 WeakPolarHBondContact O-CG 3.34Å; L757-R761 PolarHBondContact O-N 3.12Å; R759-R761 VanDerWaalsContact C-N 3.3Å; R759-R761 PolarHBondContact O-N 3.11Å
762	Q	45.9	Very low	47.5	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	7.1	177.4	-73.1	-166.9	-34.3	0	0	114	R759 S760	R759-Q762 PolarHBondContact O-N 3.04Å; R759-Q762 VanDerWaalsContact O-N 3.09Å; S760-Q762 PolarHBondContact O-N 3.31Å
763	S	37.2	Very low	45.8	Very low	62 Å²	62	150.1 Å²	150.1	43%	0.434	69%	0.686	S	S	.	*			trans	-152.1	88.3	171.2	65.5	0	0	0	0	112.9	S760	S760-S763 PolarHBondContact O-N 3.41Å
764	E	35	Very low	44.2	Very low	182 Å²	182	152.6 Å²	152.6	85%	0.85	70%	0.697	S	S	*	*			trans	-59	163.1	133.1	-65.2	172.2	136.7	0	0	108.4
765	D	37.3	Very low	42.1	Very low	145 Å²	145	155.2 Å²	155.2	78%	0.775	71%	0.708	S	S	*	*	S	Bend	trans	62.4	57.2	-176.1	-62.2	-17.2	0	0	0	117.9
766	R	38.3	Very low	40.4	Very low	234 Å²	234	157.2 Å²	157.2	88%	0.883	72%	0.718	S	S	*	*				179.2	56.9	128.4	-97.9	163.1	-68.1	-178.6	-0.2	114.7	H768	R766-H768 PolarHBondContact O-N 3.09Å
767	F	31	Very low	38.9	Very low	168 Å²	168	156.4 Å²	156.4	74%	0.737	73%	0.726	S	S	*	*			trans	-72.8	106.6	162.1	-85.9	-105.3	0	0	0	110
768	H	36.5	Very low	37.1	Very low	174 Å²	174	156.1 Å²	156.1	81%	0.806	73%	0.732	S	S	*	*	S	Bend	trans	-170	-45.1	145.5	-110.1	-68.2	0	0	0	113.2	R766 F770	R766-H768 PolarHBondContact O-N 3.09Å; H768-F770 VanDerWaalsContact C-N 3.32Å; H768-F770 PolarHBondContact O-N 3.27Å
769	D	37.8	Very low	35.7	Very low	165 Å²	165	154.3 Å²	154.3	88%	0.882	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-0.9	-167.1	-67.2	-15.1	0	0	0	116
770	F	35.5	Very low	34.6	Very low	169 Å²	169	150.3 Å²	150.3	74%	0.741	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-5.5	-172.9	-143.3	-95.5	0	0	0	114.6	H768	H768-F770 VanDerWaalsContact C-N 3.32Å; H768-F770 PolarHBondContact O-N 3.27Å
771	F	32.4	Very low	33.9	Very low	158 Å²	158	156.9 Å²	156.9	69%	0.693	76%	0.757	S	S	*	*	S	Bend	trans	-83.2	-20.6	-170.5	-118.9	-90.8	0	0	0	115.1	F773	F771-F773 VanDerWaalsContact C-N 3.35Å; F771-F773 PolarHBondContact O-N 2.93Å
772	E	34.7	Very low	33	Very low	169 Å²	169	152.5 Å²	152.5	79%	0.79	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-70.3	-28.2	176.2	-75.7	-163.4	129.8	0	0	113.3	T774	E772-T774 PolarHBondContact O-N 3.1Å
773	F	31.7	Very low	32.2	Very low	186 Å²	186	150.1 Å²	150.1	82%	0.816	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-81.1	-11.2	-166.1	-124.6	-87.9	0	0	0	115.1	F771	F771-F773 VanDerWaalsContact C-N 3.35Å; F771-F773 PolarHBondContact O-N 2.93Å
774	T	33.1	Very low	31.9	Very low	100 Å²	100	153 Å²	153	61%	0.613	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-103.4	-13	-176.4	-36.9	0	0	0	0	112.9	E772	E772-T774 PolarHBondContact O-N 3.1Å
775	M	27.5	Very low	31.7	Very low	142 Å²	142	151.9 Å²	151.9	70%	0.7	75%	0.747	S	S	*	*	S	Bend	trans	-95.9	-4.6	-177.2	-148.3	-179.5	-67.3	0	0	114	L777	M775-L777 PolarHBondContact O-N 3.02Å
776	I	31.7	Very low	31.5	Very low	148 Å²	148	149.5 Å²	149.5	76%	0.759	74%	0.738	S	S	*	*			trans	-93.2	52.5	173.3	-43.4	-178	0	0	0	110.3
777	L	27.9	Very low	31.3	Very low	159 Å²	159	145 Å²	145	83%	0.832	73%	0.727	S	S	*	*			trans	-122.1	33.8	169.4	-86.6	169.2	0	0	0	110.7	M775	M775-L777 PolarHBondContact O-N 3.02Å
778	S	26.3	Very low	31.4	Very low	91 Å²	91	142.1 Å²	142.1	64%	0.636	71%	0.714	S	S	*	*			trans	-133.5	154.1	-173.2	-61.9	0	0	0	0	110.8
779	I	29.2	Very low	31.4	Very low	149 Å²	149	143.3 Å²	143.3	76%	0.764	71%	0.711	S	S	*	*			trans	83.8	76.8	-175.9	-47.7	168	0	0	0	114.6	K781	I779-K781 HydrophobicContact CG2-CB 4.43Å
780	P	26.7	Very low	31.5	Very low	110 Å²	110	141.9 Å²	141.9	71%	0.714	70%	0.699	S	S	*	*			trans	-75.7	129.7	151.7	32.7	-31	0	0	0	109.7
781	K	27.5	Very low	31.5	Very low	188 Å²	188	139.4 Å²	139.4	82%	0.817	69%	0.693	S	S	*	*			trans	-161.6	8.4	171.8	-125.4	166.6	-172.5	175.9	0	119.4	I779	I779-K781 HydrophobicContact CG2-CB 4.43Å
782	V	29.1	Very low	31.7	Very low	130 Å²	130	135.9 Å²	135.9	79%	0.788	68%	0.682	S	S	*	*	S	Bend	trans	-130.2	-20.3	-174.9	-173.8	0	0	0	0	114.4
783	I	30.6	Very low	31.9	Very low	123 Å²	123	130.9 Å²	130.9	63%	0.631	67%	0.666	S	S	*	*	S	Bend	trans	-97.6	-22.8	-175.7	-65.1	174.5	0	0	0	112.5	Q785	I783-Q785 VanDerWaalsContact C-N 3.27Å; I783-Q785 PolarHBondContact O-N 3.13Å
784	E	29.8	Very low	32.3	Very low	124 Å²	124	126.8 Å²	126.8	58%	0.579	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-4.5	-170.9	-141	-165.5	143.7	0	0	115.6	K788	E784-K788 IonicContact OE1-NZ 2.92Å; E784-K788 PolarHBondContact OE1-NZ 2.78Å
785	Q	31.4	Very low	32.5	Very low	157 Å²	157	126.8 Å²	126.8	73%	0.734	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-10.3	179.6	-79.2	-168.6	-27.8	0	0	115.1	I783	I783-Q785 VanDerWaalsContact C-N 3.27Å; I783-Q785 PolarHBondContact O-N 3.13Å
786	V	32.5	Very low	33.1	Very low	95 Å²	95	125 Å²	125	58%	0.576	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-58	-177.6	-176.2	0	0	0	0	110.7	K788 R789	V786-K788 PolarHBondContact O-N 3.08Å; V786-R789 PolarHBondContact O-N 3.45Å
787	Q	35.1	Very low	33.5	Very low	139 Å²	139	123.7 Å²	123.7	65%	0.65	64%	0.635	S	S	*	*	H	α-helix	trans	-68.7	-19	-177.5	-65.1	-171.8	-77.5	0	0	114	L791	Q787-L791 WeakPolarHBondContact O-CB 3.35Å; Q787-L791 PolarHBondContact O-N 3.44Å
788	K	33.5	Very low	33.9	Very low	108 Å²	108	121.9 Å²	121.9	47%	0.47	62%	0.624	S	S	.	*	H	α-helix	trans	-74.7	-26.7	179.6	-141.1	168.9	-166.6	170.8	0	112.8	E784 V786 D792	E784-K788 IonicContact OE1-NZ 2.92Å; E784-K788 PolarHBondContact OE1-NZ 2.78Å; V786-K788 PolarHBondContact O-N 3.08Å; K788-D792 VanDerWaalsContact O-CB 3.28Å; K788-D792 WeakPolarHBondContact O-CB 3.49Å; K788-D792 PolarHBondContact O-N 2.85Å
789	R	36.4	Very low	34.3	Very low	199 Å²	199	124.7 Å²	124.7	75%	0.751	63%	0.628	S	S	*	*	H	α-helix	trans	-83.4	-35.4	-178.7	-72.5	-177.2	174.5	175	-1	113.8	V786 S793	V786-R789 PolarHBondContact O-N 3.45Å; R789-S793 PolarHBondContact O-N 2.8Å
790	E	39.5	Very low	34.6	Very low	135 Å²	135	121.6 Å²	121.6	63%	0.631	62%	0.624	S	S	*	*	H	α-helix	trans	-78.1	-35.6	178.5	-65.9	178.6	156.7	0	0	111.5	I794	E790-I794 WeakPolarHBondContact O-CG1 3.32Å; E790-I794 PolarHBondContact O-N 3.08Å
791	L	34.2	Very low	34.9	Very low	117 Å²	117	122.9 Å²	122.9	61%	0.613	63%	0.625	S	S	*	*	H	α-helix	trans	-74.6	-41.9	179.2	-156.3	72.1	0	0	0	112.5	Q787 S793 I794 L795	Q787-L791 WeakPolarHBondContact O-CB 3.35Å; Q787-L791 PolarHBondContact O-N 3.44Å; L791-S793 VanDerWaalsContact C-N 3.25Å; L791-S793 PolarHBondContact O-N 3.36Å; L791-I794 PolarHBondContact O-N 3.28Å; L791-L795 WeakPolarHBondContact O-CB 3.41Å; L791-L795 PolarHBondContact O-N 3.08Å
792	D	37.4	Very low	35	Very low	84 Å²	84	124.4 Å²	124.4	45%	0.449	63%	0.627	S	S	.	*	H	α-helix	trans	-67	-26.7	176.9	-67.5	-9	0	0	0	111.7	K788 N796	K788-D792 VanDerWaalsContact O-CB 3.28Å; K788-D792 WeakPolarHBondContact O-CB 3.49Å; K788-D792 PolarHBondContact O-N 2.85Å; D792-N796 PolarHBondContact O-N 3.47Å; D792-N796 PolarHBondContact O-ND2 3.15Å
793	S	38.1	Very low	35.2	Very low	65 Å²	65	123.9 Å²	123.9	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-64.1	-54	171	-167.2	0	0	0	0	111	R789 L791 L795 N796 D797	R789-S793 PolarHBondContact O-N 2.8Å; L791-S793 VanDerWaalsContact C-N 3.25Å; L791-S793 PolarHBondContact O-N 3.36Å; S793-L795 VanDerWaalsContact C-N 3.26Å; S793-L795 PolarHBondContact O-N 3.36Å; S793-N796 PolarHBondContact O-N 3.07Å; S793-D797 PolarHBondContact O-N 3.16Å; S793-D797 VanDerWaalsContact O-N 3.16Å
794	I	40.4	Very low	35.2	Very low	100 Å²	100	127.3 Å²	127.3	51%	0.513	64%	0.637	S	S	.	*	H	α-helix	trans	-64.9	-31.7	-177.2	-65.2	166.6	0	0	0	111.3	E790 L791 I798	E790-I794 WeakPolarHBondContact O-CG1 3.32Å; E790-I794 PolarHBondContact O-N 3.08Å; L791-I794 PolarHBondContact O-N 3.28Å; I794-I798 HydrophobicContact CG2-CD1 3.99Å; I794-I798 WeakPolarHBondContact O-CD1 3.48Å; I794-I798 VanDerWaalsContact O-CG1 3.3Å; I794-I798 WeakPolarHBondContact O-CG1 3.29Å; I794-I798 PolarHBondContact O-N 2.83Å
795	L	37.5	Very low	35.5	Very low	99 Å²	99	127.7 Å²	127.7	52%	0.518	64%	0.643	S	S	.	*	H	α-helix	trans	-75.5	-34.1	179	-146.1	74.3	0	0	0	113	L791 S793 I798 Q799	L791-L795 WeakPolarHBondContact O-CB 3.41Å; L791-L795 PolarHBondContact O-N 3.08Å; S793-L795 VanDerWaalsContact C-N 3.26Å; S793-L795 PolarHBondContact O-N 3.36Å; L795-I798 PolarHBondContact O-N 3.07Å; L795-Q799 WeakPolarHBondContact O-CG 3.24Å; L795-Q799 PolarHBondContact O-N 3.17Å
796	N	40.6	Very low	35.6	Very low	106 Å²	106	127.8 Å²	127.8	57%	0.567	64%	0.643	S	S	*	*	H	α-helix	trans	-71.7	-40	175.3	-80	-73.9	0	0	0	112	D792 S793 I798 Q799 A800	D792-N796 PolarHBondContact O-N 3.47Å; D792-N796 PolarHBondContact O-ND2 3.15Å; S793-N796 PolarHBondContact O-N 3.07Å; N796-I798 PolarHBondContact O-N 3.34Å; N796-Q799 PolarHBondContact O-N 3.34Å; N796-A800 PolarHBondContact O-N 3.19Å
797	D	39.2	Very low	35.7	Very low	120 Å²	120	129.4 Å²	129.4	64%	0.642	65%	0.653	S	S	*	*	H	α-helix	trans	-62.2	-24.1	176	-68.4	-26.2	0	0	0	112.6	S793	S793-D797 PolarHBondContact O-N 3.16Å; S793-D797 VanDerWaalsContact O-N 3.16Å
798	I	37.1	Very low	35.4	Very low	120 Å²	120	128.9 Å²	128.9	62%	0.615	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-11.2	177	-66.9	170.9	0	0	0	112.6	I794 L795 N796	I794-I798 HydrophobicContact CG2-CD1 3.99Å; I794-I798 WeakPolarHBondContact O-CD1 3.48Å; I794-I798 VanDerWaalsContact O-CG1 3.3Å; I794-I798 WeakPolarHBondContact O-CG1 3.29Å; I794-I798 PolarHBondContact O-N 2.83Å; L795-I798 PolarHBondContact O-N 3.07Å; N796-I798 PolarHBondContact O-N 3.34Å
799	Q	34.9	Very low	35.4	Very low	151 Å²	151	127.9 Å²	127.9	71%	0.706	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	1.4	177.2	-69.6	-165.7	-65.8	0	0	114.2	L795 N796	L795-Q799 WeakPolarHBondContact O-CG 3.24Å; L795-Q799 PolarHBondContact O-N 3.17Å; N796-Q799 PolarHBondContact O-N 3.34Å
800	A	34.8	Very low	35.1	Very low	83 Å²	83	125 Å²	125	69%	0.686	67%	0.671	S	S	*	*	S	Bend	trans	-76.4	-34.4	176.9	0	0	0	0	0	113.4	N796	N796-A800 PolarHBondContact O-N 3.19Å
801	D	33.4	Very low	34.5	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	68%	0.682	S	S	*	*	S	Bend	trans	-104.1	106.8	177.6	-78.9	-44.5	0	0	0	111.2
802	Y	29.3	Very low	34.3	Very low	220 Å²	220	127.5 Å²	127.5	86%	0.863	69%	0.69	S	S	*	*				169.5	142.7	127.4	-106.4	-88	0	0	0	110.9
803	P	32.9	Very low	34	Very low	120 Å²	120	133 Å²	133	78%	0.779	71%	0.71	S	S	*	*			trans	-75.3	159.1	-177.7	-15.8	32.1	0	0	0	114.2
804	K	30.9	Very low	34.1	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	72%	0.722	S	S	*	*			trans	-94.8	137.2	172.3	-63.5	173.9	-178.9	172.2	0	111.4
805	D	37.4	Very low	33.8	Very low	132 Å²	132	137.2 Å²	137.2	71%	0.706	73%	0.734	S	S	*	*				-170.6	129.7	129.5	-94.9	-25.7	0	0	0	108.5
806	Q	32.7	Very low	33.3	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.743	75%	0.746	S	S	*	*				62	131.3	96.2	-61.4	-170.7	80	0	0	113.9
807	T	34.1	Very low	33.1	Very low	129 Å²	129	143.3 Å²	143.3	79%	0.791	76%	0.758	S	S	*	*			cis	-152.4	176.5	14.9	-17.4	0	0	0	0	113.2
808	T	29.4	Very low	32.8	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	77%	0.767	S	S	*	*			trans	-83	153.8	-176.2	52.3	0	0	0	0	116
809	A	32.7	Very low	32.5	Very low	87 Å²	87	146.9 Å²	146.9	72%	0.719	78%	0.775	S	S	*	*				177.6	120.3	120.6	0	0	0	0	0	117.4
810	N	30.8	Very low	32.1	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	78%	0.78	S	S	*	*				59.3	123.5	126.8	-65.6	-11.7	0	0	0	126.5
811	F	26.9	Very low	32	Very low	194 Å²	194	147.7 Å²	147.7	85%	0.851	78%	0.781	S	S	*	*			trans	66.1	151.6	136.8	-77.2	-109.6	0	0	0	118.9
812	S	30.5	Very low	31.8	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	78%	0.781	S	S	*	*			cis	-151.1	-174.5	3.9	51.8	0	0	0	0	112.9
813	K	30.8	Very low	32	Very low	199 Å²	199	142.6 Å²	142.6	87%	0.865	78%	0.776	S	S	*	*			trans	-126.8	177.6	-176.4	-106.7	-172.4	-180	-179	0	109.2
814	P	39.2	Very low	32	Very low	110 Å²	110	145.1 Å²	145.1	71%	0.714	78%	0.777	S	S	*	*			cis	-134.1	-168.5	-31.9	40.6	-24.2	0	0	0	111.8
815	D	33.8	Very low	32	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	76%	0.764	S	S	*	*			trans	-150.6	163.6	144.5	-148.4	-20.6	0	0	0	111.8
816	L	28.7	Very low	31.8	Very low	148 Å²	148	139.6 Å²	139.6	78%	0.775	76%	0.762	S	S	*	*			trans	-141.5	124.5	-163	-137.2	91.1	0	0	0	115
817	K	34.6	Very low	31.8	Very low	186 Å²	186	139.9 Å²	139.9	81%	0.809	76%	0.763	S	S	*	*			trans	-173.9	140	164.9	-92.2	127.1	-167.7	165	0	107.5
818	K	34.4	Very low	31.9	Very low	193 Å²	193	137.7 Å²	137.7	84%	0.839	75%	0.753	S	S	*	*			cis	-139.5	167.3	-0.4	-89.7	176.6	179.1	176.6	0	109.1
819	P	30	Very low	32.1	Very low	121 Å²	121	136.4 Å²	136.4	79%	0.786	74%	0.741	S	S	*	*			trans	-96.8	121.7	-177.5	35	-31.3	0	0	0	114.9
820	C	27.1	Very low	32	Very low	119 Å²	119	137.1 Å²	137.1	80%	0.804	73%	0.732	S	S	*	*			trans	-178.2	141.1	151.8	-86	0	0	0	0	105
821	D	31.4	Very low	32.1	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	73%	0.727	S	S	*	*			cis	-122	117	9.5	-68	-58.6	0	0	0	112.4
822	A	30.9	Very low	32.4	Very low	90 Å²	90	131.5 Å²	131.5	74%	0.744	72%	0.72	S	S	*	*			trans	-86.2	-3.2	179.4	0	0	0	0	0	114.3
823	Q	32.8	Very low	32.4	Very low	161 Å²	161	132.8 Å²	132.8	75%	0.752	72%	0.718	S	S	*	*	S	Bend	trans	-89	-32.4	-170.8	-69.7	-176.8	-87.5	0	0	114.2	A825 Q826	Q823-A825 VanDerWaalsContact C-N 3.3Å; Q823-A825 PolarHBondContact O-N 3.5Å; Q823-Q826 PolarHBondContact O-N 3.1Å
824	Q	32.2	Very low	32.4	Very low	172 Å²	172	132.6 Å²	132.6	80%	0.804	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-18.5	-172	-154.3	172.4	22.7	0	0	114
825	A	32.4	Very low	32.1	Very low	68 Å²	68	133.8 Å²	133.8	56%	0.562	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-8.8	176	0	0	0	0	0	114.1	Q823 S828	Q823-A825 VanDerWaalsContact C-N 3.3Å; Q823-A825 PolarHBondContact O-N 3.5Å; A825-S828 PolarHBondContact O-OG 3.01Å
826	Q	31.5	Very low	32	Very low	143 Å²	143	133.3 Å²	133.3	67%	0.668	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-25.1	-171.1	-135.9	172.1	11.4	0	0	113.7	Q823	Q823-Q826 PolarHBondContact O-N 3.1Å
827	E	33.4	Very low	32.2	Very low	164 Å²	164	132.4 Å²	132.4	77%	0.766	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-25.6	-179.8	-60.8	-164.4	136.1	0	0	113.7
828	S	36.6	Very low	32	Very low	83 Å²	83	129.3 Å²	129.3	58%	0.58	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-23.9	-177.2	57.9	0	0	0	0	114.3	A825	A825-S828 PolarHBondContact O-OG 3.01Å
829	L	33.8	Very low	31.9	Very low	102 Å²	102	125.3 Å²	125.3	53%	0.534	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-19	-179.5	-81.2	161.5	0	0	0	113.8	V832 L833	L829-V832 PolarHBondContact O-N 3.02Å; L829-L833 PolarHBondContact O-N 3.3Å
830	L	29.6	Very low	32	Very low	102 Å²	102	125.6 Å²	125.6	53%	0.534	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-58.8	-39.1	-178.6	-141.5	76.2	0	0	0	113.9	V832 L833 L834	L830-V832 PolarHBondContact O-N 3.13Å; L830-L833 PolarHBondContact O-N 2.96Å; L830-L834 HydrophobicContact CD2-CD1 4.27Å; L830-L834 HydrophobicContact CG-CD1 4.08Å; L830-L834 PolarHBondContact O-N 3.27Å
831	P	33.3	Very low	32.4	Very low	99 Å²	99	126.1 Å²	126.1	64%	0.643	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-71.7	-2.7	175.7	-18.3	33.2	0	0	0	115.3
832	V	33.4	Very low	32.4	Very low	115 Å²	115	125.6 Å²	125.6	70%	0.697	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-107.9	-12.5	178.6	-173.6	0	0	0	0	111.2	L829 L830	L829-V832 PolarHBondContact O-N 3.02Å; L830-V832 PolarHBondContact O-N 3.13Å
833	L	31.4	Very low	32.6	Very low	138 Å²	138	128.6 Å²	128.6	72%	0.723	69%	0.691	S	S	*	*			trans	-111	2.7	179.7	-72.9	164.5	0	0	0	113.6	L829 L830	L829-L833 PolarHBondContact O-N 3.3Å; L830-L833 PolarHBondContact O-N 2.96Å
834	L	30.6	Very low	32.6	Very low	196 Å²	196	125.6 Å²	125.6	100%	1.026	69%	0.685	S	S	*	*			trans	-114.2	0	177.2	-76.2	171.3	0	0	0	112	L830	L830-L834 HydrophobicContact CD2-CD1 4.27Å; L830-L834 HydrophobicContact CG-CD1 4.08Å; L830-L834 PolarHBondContact O-N 3.27Å

Retrieved 834 of 834 residues in 289.7 ms (Link to these results)

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